0 B9R0.45 C#CCCCCCNCC 14ea92e09ae5d59f435532a2fedd7cb8 [0,0,0,0,0,0|2,0,2]=4 1 B9R0.45 C#CCCCCCOCC 76da78402f2580ea24a7954fbf49c65e [0,0,0,0,0,0|2,0,2]=4 2 B9R0.45 C#CCCCCNCCC 720f4ace558aca91e3140192969837a4 [0,0,0,0,0,0|2,0,2]=4 3 B9R0.45 C#CCCCCOCCC 88be43598906413b514321fe6489b41b [0,0,0,0,0,0|2,0,2]=4 4 B9R0.45 C#CCCCNCCCC 28864ce458b4f28b4cea859a70886cf4 [0,0,0,0,0,0|1,0,2]=3 5 B9R0.45 C#CCCCNCCCCl cd95aa526eb69bf347d059b480ab4f39 [0,0,0,0,0,0|2,0,2]=4 6 B9R0.45 C#CCCCNCCCF 4ab918836000cdb2233948cf525997bd [0,0,0,0,0,0|2,0,2]=4 7 B9R0.45 C#CCCCNCCCO b300a29970529c1412a12ea9d482593c [0,0,0,0,0,0|2,0,2]=4 8 B9R0.45 C#CCCCNCCCS ed376de33b35a6b0e216157804adf7ed [0,0,0,0,0,0|2,0,2]=4 9 B9R0.45 C#CCCCNCCOC 79998fe8a7bd7eb560d6ca9393699cc9 [0,0,0,0,0,0|2,0,2]=4 10 B9R0.45 C#CCCCNCCSC 1ae5f23074564eb6d90719936871e6a4 [0,0,0,0,0,0|2,0,2]=4 11 B9R0.45 C#CCCCNCOCC 93e779051663294789c0b853c68a1375 [0,0,0,0,0,0|2,0,2]=4 12 B9R0.45 C#CCCCOC/C=C/C 4d90734f3ece1e98e04142a288bf2f89 [0,0,0,0,0,0|0,0,4]=4 13 B9R0.45 C#CCCCOC/C=C\C 98a06e0351ee1834bf538586983fa1d7 [0,0,0,0,0,0|0,0,4]=4 14 B9R0.45 C#CCCCOCC#CC 4e615f0ebfb7dd9a687fa69e7b5f0561 [0,0,0,0,0,0|0,0,4]=4 15 B9R0.45 C#CCCCOCC=CC c45727213a3e88d794a4e0f66925bec0 [0,0,0,0,0,0|0,0,4]=4 16 B9R0.45 C#CCCCOCCC#C 8004c4009edaa4e0f81cc2605452d227 [0,0,0,0,0,0|0,0,4]=4 17 B9R0.45 C#CCCCOCCC#N 27cadbeda67e1b02c5d0847b578d90ba [0,0,0,0,0,0|1,0,3]=4 18 B9R0.45 C#CCCCOCCC=C b4c78990c18b500a93361a7d17bf66ad [0,0,0,0,0,0|0,0,4]=4 19 B9R0.45 C#CCCCOCCC=O 6b7d5bb471ddee763f561d365417d401 [0,0,0,0,0,0|1,0,3]=4 20 B9R0.45 C#CCCCOCCCC 455b20947599c42b63a460c5f97b230b [0,0,0,0,0,0|0,0,2]=2 21 B9R0.45 C#CCCCOCCCF d6c8b728729dbe18437fb9087e24d074 [0,0,0,0,0,0|1,0,2]=3 22 B9R0.45 C#CCCCOCCCS 94a677b43a937e2486a406e22f761b20 [0,0,0,0,0,0|1,0,2]=3 23 B9R0.45 C#CCCCOCCOC 7c80e59c29f8480f2589b30b961227a4 [0,0,0,0,0,0|1,0,2]=3 24 B9R0.45 C#CCCCOCCSC 8b9a0cc0f155bf0188de34dcab72a447 [0,0,0,0,0,0|1,0,2]=3 25 B9R0.45 C#CCCCOCOCC e2d7c6e3645ec68305dd6558ba327af3 [0,0,0,0,0,0|1,0,2]=3 26 B9R0.45 C#CCCNCCCCC 0b0b4c4dc2ba9dc503e534c3f7a4e896 [0,0,0,0,0,0|1,0,2]=3 27 B9R0.45 C#CCCNCCCCCl 3bed7bfda5cf48df17abfcef282eb3cd [0,0,0,0,0,0|2,0,2]=4 28 B9R0.45 C#CCCNCCCCF 7dbc96191953bf8f9693b18152cb2041 [0,0,0,0,0,0|2,0,2]=4 29 B9R0.45 C#CCCNCCCCO f78936dcf0a298364ad55dd3663d7138 [0,0,0,0,0,0|2,0,2]=4 30 B9R0.45 C#CCCNCCCCS ad1c7f2bb7e5244df1536877ee2ce730 [0,0,0,0,0,0|2,0,2]=4 31 B9R0.45 C#CCCNCCCOC 367955759b37f74a287b077c41c9ccc4 [0,0,0,0,0,0|2,0,2]=4 32 B9R0.45 C#CCCNCCCSC 780c556e3598594540576f7056bf5b6e [0,0,0,0,0,0|2,0,2]=4 33 B9R0.45 C#CCCNCCOCC e88cecf3b4c0f7947061c179ed5fbdcf [0,0,0,0,0,0|2,0,2]=4 34 B9R0.45 C#CCCNCCSCC b5a413cc65f3b0fbba992e706c23e5ab [0,0,0,0,0,0|2,0,2]=4 35 B9R0.45 C#CCCOC/C=C/CC df743559e7adc136ab1b3ff4151f6490 [0,0,0,0,0,0|0,0,4]=4 36 B9R0.45 C#CCCOC/C=C\CC 20b258e3fbd1a6ca4442bc10aaabb856 [0,0,0,0,0,0|0,0,4]=4 37 B9R0.45 C#CCCOCC#CCC 8a35c85de9d084130bade8ea8cea6938 [0,0,0,0,0,0|0,0,4]=4 38 B9R0.45 C#CCCOCC/C=C/C 12201d7866a38ade98f3c30521eb43a1 [0,0,0,0,0,0|0,0,4]=4 39 B9R0.45 C#CCCOCCC#CC b89e766b9edf20e60e9d2ef704f79272 [0,0,0,0,0,0|0,0,4]=4 40 B9R0.45 C#CCCOCCCC#N fce0378db871ca7bf602fec9d35c37d9 [0,0,0,0,0,0|1,0,3]=4 41 B9R0.45 C#CCCOCCCC=C 08997647697bb89e360e07d63fc814b8 [0,0,0,0,0,0|0,0,4]=4 42 B9R0.45 C#CCCOCCCC=O a9c0773ccdd8f76a801b34d952a72ab6 [0,0,0,0,0,0|1,0,3]=4 43 B9R0.45 C#CCCOCCCCC 0b844e7d38a15bf2cf13b79058ea6790 [0,0,0,0,0,0|0,0,2]=2 44 B9R0.45 C#CCCOCCCCF cd5f57c81d1d8e0ad6cff9acd8dbabc6 [0,0,0,0,0,0|1,0,2]=3 45 B9R0.45 C#CCCOCCCCS 838cd7e1f68460eb961545bedb5e1436 [0,0,0,0,0,0|1,0,2]=3 46 B9R0.45 C#CCCOCCCOC 9417d9548988a4899509fc10e916da5e [0,0,0,0,0,0|1,0,2]=3 47 B9R0.45 C#CCCOCCCSC 3b716fc623c2d640413988b229b18b88 [0,0,0,0,0,0|1,0,2]=3 48 B9R0.45 C#CCCOCCOCC 82a7e1612bfbd4337eee757e02dec23e [0,0,0,0,0,0|1,0,2]=3 49 B9R0.45 C#CCCOCCSCC 42d4ab38ce901a35ffca3412e1318fd4 [0,0,0,0,0,0|1,0,2]=3 50 B9R0.45 C#CCNCCCCCC cb41f91861b4ad09b2fdb148c3b6a6cd [0,0,0,0,0,0|2,0,2]=4 51 B9R0.45 C#CCNCOCCCC 3321f44621206628902b2a732cd2182a [0,0,0,0,0,0|1,0,2]=3 52 B9R0.45 C#CCNCOCCOC bb721b3e10bc2fd3bb925ec8a29c2e14 [0,0,0,0,0,0|2,0,2]=4 53 B9R0.45 C#CCOCCCCCC f5db1c348f2482ec2d74aff14ea6fbb8 [0,0,0,0,0,0|2,0,2]=4 54 B9R0.45 C#CCOCOCCCC 411dd2e894d38798469501e5830892f8 [0,0,0,0,0,0|1,0,2]=3 55 B9R0.45 C#CCOCOCCOC 876976d22bbe2d8ae907a01b78736ceb [0,0,0,0,0,0|2,0,2]=4 56 B9R0.45 C/C=C/CCCOCCC 6078f7ffc27dfa8185f6236738ef681e [0,0,0,0,0,0|2,0,2]=4 57 B9R0.45 C/C=C/CCOC/C=C/C 3f56239e6142a5844a00f315eae37c28 [0,0,0,0,0,0|0,0,4]=4 58 B9R0.45 C/C=C/CCOCCC#N 6196df1441d6c62cc0033b89d0a7f075 [0,0,0,0,0,0|1,0,3]=4 59 B9R0.45 C/C=C/CCOCCC=O c4c6e811a3e16a2c2124752f9d8b1849 [0,0,0,0,0,0|1,0,3]=4 60 B9R0.45 C/C=C/CCOCCCC 34807d765a53dafaafda84290da499b4 [0,0,0,0,0,0|0,0,2]=2 61 B9R0.45 C/C=C/CCOCCCF 7aa23dea8d53e360b9f2d936094e90b4 [0,0,0,0,0,0|1,0,2]=3 62 B9R0.45 C/C=C/CCOCCCS 16508b6b2e4961769bb0921f28d0d285 [0,0,0,0,0,0|1,0,2]=3 63 B9R0.45 C/C=C/CCOCCOC 59a729a9ab4033a1eb656d78838ea440 [0,0,0,0,0,0|1,0,2]=3 64 B9R0.45 C/C=C/CCOCCSC 2d38818cd58c8496cbe29fdb8c8df6f6 [0,0,0,0,0,0|1,0,2]=3 65 B9R0.45 C/C=C/CCOCOCC 70f3c48b000346091f71231d91c9996a [0,0,0,0,0,0|1,0,2]=3 66 B9R0.45 C/C=C/CNCCCCC 173af57cfda70fbf416f0d5599bfa036 [0,0,0,0,0,0|1,0,2]=3 67 B9R0.45 C/C=C/CNCCCCCl 403d470282ab81a987b4c495ce3e65b2 [0,0,0,0,0,0|2,0,2]=4 68 B9R0.45 C/C=C/CNCCCCO ed0a9542760a19dc2971710326afc5ed [0,0,0,0,0,0|2,0,2]=4 69 B9R0.45 C/C=C/CNCCCCS 42dce55feee6c9dd8609de6ac4aac20c [0,0,0,0,0,0|2,0,2]=4 70 B9R0.45 C/C=C/CNCCCOC d2a8bcecabfc4119973e200bdda0f952 [0,0,0,0,0,0|2,0,2]=4 71 B9R0.45 C/C=C/CNCCCSC a0c3ea3106200fc97b7a508253b676e7 [0,0,0,0,0,0|2,0,2]=4 72 B9R0.45 C/C=C/CNCCOCC f6b74339a9458a435ce66f977b560c4d [0,0,0,0,0,0|2,0,2]=4 73 B9R0.45 C/C=C/CNCCSCC 95eecb3a403e64e60768b69e1118582b [0,0,0,0,0,0|2,0,2]=4 74 B9R0.45 C/C=C/COC/C=C/CC 08aecd00e15053f1b6749f3f849cd2cf [0,0,0,0,0,0|0,0,4]=4 75 B9R0.45 C/C=C/COC/C=C\CC 2d9abe3714f10ca8826106205917a43c [0,0,0,0,0,0|0,0,4]=4 76 B9R0.45 C/C=C/COCC#CCC 31957cdcd55b026f6a4b620c2bfc1c96 [0,0,0,0,0,0|0,0,4]=4 77 B9R0.45 C/C=C/COCCCC#N 517f4c73837e57ab47a993f817fbae58 [0,0,0,0,0,0|1,0,3]=4 78 B9R0.45 C/C=C/COCCCC=O a185a9427aaa2100c7d1e383b492c807 [0,0,0,0,0,0|1,0,3]=4 79 B9R0.45 C/C=C/COCCCCC 802c5cbc78037013e3e1230ad72e88ef [0,0,0,0,0,0|0,0,2]=2 80 B9R0.45 C/C=C/COCCCCF b0a7ff31431d01dbfa0473bc3bacab4f [0,0,0,0,0,0|1,0,2]=3 81 B9R0.45 C/C=C/COCCCCS ead8e557468ab6fca0834520c9a02bff [0,0,0,0,0,0|1,0,2]=3 82 B9R0.45 C/C=C/COCCCOC 5f1bc5bcae94818ab169f2532d800a96 [0,0,0,0,0,0|1,0,2]=3 83 B9R0.45 C/C=C/COCCCSC 3e859da376a456131ea6c3009e2e9528 [0,0,0,0,0,0|1,0,2]=3 84 B9R0.45 C/C=C/COCCOCC 63fd2e31279ac1c3bb1fff8b57fcdcc1 [0,0,0,0,0,0|1,0,2]=3 85 B9R0.45 C/C=C/COCCSCC dfcfe7131818abefbfad7e2a62a434a4 [0,0,0,0,0,0|1,0,2]=3 86 B9R0.45 C/C=C\CCCNCCC bd38004b14a3ffe818d001cefe29aee7 [0,0,0,0,0,0|2,0,2]=4 87 B9R0.45 C/C=C\CCCOCCC 083c73f409535e210af3eb7849dd56ad [0,0,0,0,0,0|2,0,2]=4 88 B9R0.45 C/C=C\CNCCCCC 2ee64f407eb13d42c64dbdca505fc819 [0,0,0,0,0,0|1,0,2]=3 89 B9R0.45 C/C=C\CNCCCCCl d6e4fe895f7ef2b8fd417beea3d06ba1 [0,0,0,0,0,0|2,0,2]=4 90 B9R0.45 C/C=C\CNCCCCO 1d08969d68ccbef78e75866e633febcf [0,0,0,0,0,0|2,0,2]=4 91 B9R0.45 C/C=C\CNCCCCS ee4c8a80fc61b5dece65cfcc4ca86e95 [0,0,0,0,0,0|2,0,2]=4 92 B9R0.45 C/C=C\CNCCCOC 9d59f702f547863e47dcef2fd64f1076 [0,0,0,0,0,0|2,0,2]=4 93 B9R0.45 C/C=C\CNCCCSC cc9fe3e4ecf87d5e0af0a89dd0b9be85 [0,0,0,0,0,0|2,0,2]=4 94 B9R0.45 C/C=C\CNCCOCC ba717dd4ff72ae30428deaceceb8e900 [0,0,0,0,0,0|2,0,2]=4 95 B9R0.45 C/C=C\CNCCSCC 2344b094cedbab19eb8690e73e8bd09c [0,0,0,0,0,0|2,0,2]=4 96 B9R0.45 C/C=C\COC/C=C/CC 6742c17469dacc11877f719b7150d31e [0,0,0,0,0,0|0,0,4]=4 97 B9R0.45 C/C=C\COC/C=C\CC 0cade4bf908f9e61d5669b6ee1a01d52 [0,0,0,0,0,0|0,0,4]=4 98 B9R0.45 C/C=C\COCC#CCC 2f497b0c7565c9b36f51b6eb05238b04 [0,0,0,0,0,0|0,0,4]=4 99 B9R0.45 C/C=C\COCC/C=C/C ff3f4577bc7348d303858128961423dd [0,0,0,0,0,0|0,0,4]=4 100 B9R0.45 C/C=C\COCCCC#N eb4a84e620609141053fa6d8bab8667b [0,0,0,0,0,0|1,0,3]=4 101 B9R0.45 C/C=C\COCCCC=O 1b77c800485ae4c0e70553fb49479328 [0,0,0,0,0,0|1,0,3]=4 102 B9R0.45 C/C=C\COCCCCC 49d9ba2c76d4226b734a25af963b3a40 [0,0,0,0,0,0|0,0,2]=2 103 B9R0.45 C/C=C\COCCCCF 4a23eeff00f906196af3c2b6cb55a437 [0,0,0,0,0,0|1,0,2]=3 104 B9R0.45 C/C=C\COCCCCS 4dc475746e1fe6ee2835b6bd42d9f2cf [0,0,0,0,0,0|1,0,2]=3 105 B9R0.45 C/C=C\COCCCOC 70d17fbec46f317997436441f1a708dd [0,0,0,0,0,0|1,0,2]=3 106 B9R0.45 C/C=C\COCCCSC 0b7bc762f4b85e8dd03675e638fdc3a7 [0,0,0,0,0,0|1,0,2]=3 107 B9R0.45 C/C=C\COCCOCC f9def2c1c1305f202dbf7f1c0e571fc4 [0,0,0,0,0,0|1,0,2]=3 108 B9R0.45 C/C=C\COCCSCC 6029c7fe7770a1e49d0d0365a70777a3 [0,0,0,0,0,0|1,0,2]=3 109 B9R0.45 C=C=CCCOCCCC 5bd6b2c5c25cc2126ad420d63c19c871 [0,0,0,0,0,0|0,0,3]=3 110 B9R0.45 C=C=CCCOCCCF f32bbd1607310b8957a11f5ab5026833 [0,0,0,0,0,0|1,0,3]=4 111 B9R0.45 C=C=CCCOCCCS 88dd70ec2232058b36759f0d2ccd64f5 [0,0,0,0,0,0|1,0,3]=4 112 B9R0.45 C=C=CCCOCCOC 2f73065aed8e0eff7d3149ecfddebc3a [0,0,0,0,0,0|1,0,3]=4 113 B9R0.45 C=C=CCCOCCSC 3195f535d75753998c906fda4d23644b [0,0,0,0,0,0|1,0,3]=4 114 B9R0.45 C=C=CCCOCOCC f39907bfb41226b90de75a1cc9f7663a [0,0,0,0,0,0|1,0,3]=4 115 B9R0.45 C=CCCCCCNCC 890f1c6c1d85667d7cffa859ba2c1d3e [0,0,0,0,0,0|2,0,2]=4 116 B9R0.45 C=CCCCCCOCC 23f590b48ebd5146440db0699ec4bb83 [0,0,0,0,0,0|2,0,2]=4 117 B9R0.45 C=CCCCCNCCC 1c3124d4bfead54322e8b6cd10acbe7e [0,0,0,0,0,0|2,0,2]=4 118 B9R0.45 C=CCCCCOCCC f624e5cfeefd7c8f70f95b431a05113e [0,0,0,0,0,0|2,0,2]=4 119 B9R0.45 C=CCCCNCCCC fa1d0b4e193451fb553c9cd2afd75cca [0,0,0,0,0,0|1,0,2]=3 120 B9R0.45 C=CCCCNCCCCl c0c501ba24935f3fdc55a6800c85d9f5 [0,0,0,0,0,0|2,0,2]=4 121 B9R0.45 C=CCCCNCCCF 4fbf6888b4902e4977d561796e7f3c35 [0,0,0,0,0,0|2,0,2]=4 122 B9R0.45 C=CCCCNCCCO 49ff67fd32a7e48d035cc39e8c6c93f5 [0,0,0,0,0,0|2,0,2]=4 123 B9R0.45 C=CCCCNCCCS e91fc8975e9281b0c28f44d8e3139816 [0,0,0,0,0,0|2,0,2]=4 124 B9R0.45 C=CCCCNCCOC 759115f4101e6143ad6ba137d2cb2134 [0,0,0,0,0,0|2,0,2]=4 125 B9R0.45 C=CCCCNCCSC 835ee46189c1f88d4cdbdcc67650ffcb [0,0,0,0,0,0|2,0,2]=4 126 B9R0.45 C=CCCCNCOCC f02bd04312dd897bff39b6bd9b93bc49 [0,0,0,0,0,0|2,0,2]=4 127 B9R0.45 C=CCCCOC/C=C/C 05c96fd8abfc3fdf74fb0323f2f48dbf [0,0,0,0,0,0|0,0,4]=4 128 B9R0.45 C=CCCCOC/C=C\C 902e933d7ba15166c4985c2aa372e51c [0,0,0,0,0,0|0,0,4]=4 129 B9R0.45 C=CCCCOCC#CC 5e5b5bd902c9335cbe7cc6a844f9de15 [0,0,0,0,0,0|0,0,4]=4 130 B9R0.45 C=CCCCOCC=CC 50d5479cc639ba2b73444d482db48fbf [0,0,0,0,0,0|0,0,4]=4 131 B9R0.45 C=CCCCOCCC#N 32c43a5008f4464aed97cb032c8199f4 [0,0,0,0,0,0|1,0,3]=4 132 B9R0.45 C=CCCCOCCC=C 295e6ddf540018db3a0c5b09f6fc6942 [0,0,0,0,0,0|0,0,4]=4 133 B9R0.45 C=CCCCOCCC=O c8bdd6d9eb4b2f37ce346479c10f311b [0,0,0,0,0,0|1,0,3]=4 134 B9R0.45 C=CCCCOCCCC e8806365586991cd800b2ef6da7fc881 [0,0,0,0,0,0|0,0,2]=2 135 B9R0.45 C=CCCCOCCCF 2e6d7089b14dd641e54a76ae7dadaa14 [0,0,0,0,0,0|1,0,2]=3 136 B9R0.45 C=CCCCOCCCS 00ab52b736b42ecb74aa8e1b43a7e9be [0,0,0,0,0,0|1,0,2]=3 137 B9R0.45 C=CCCCOCCOC 3f3e29bd58ea27c0ff854dd25e431ca0 [0,0,0,0,0,0|1,0,2]=3 138 B9R0.45 C=CCCCOCCSC 27b8b1769c1651eaa64484ccb85191f8 [0,0,0,0,0,0|1,0,2]=3 139 B9R0.45 C=CCCCOCOCC 1cb3725d57ca40858b757ece9ea622f2 [0,0,0,0,0,0|1,0,2]=3 140 B9R0.45 C=CCCNCCCCC a855019ae48c9b8cf6923444d001ccd3 [0,0,0,0,0,0|1,0,2]=3 141 B9R0.45 C=CCCNCCCCCl a117ce913481632f0688d24994247e2a [0,0,0,0,0,0|2,0,2]=4 142 B9R0.45 C=CCCNCCCCF efc5a9a56f0e77778e0d77be991290d0 [0,0,0,0,0,0|2,0,2]=4 143 B9R0.45 C=CCCNCCCCO 483ccf905bb3e32f0679d7de05961fd6 [0,0,0,0,0,0|2,0,2]=4 144 B9R0.45 C=CCCNCCCCS eb80eda9fad56453c79d6797c2b54750 [0,0,0,0,0,0|2,0,2]=4 145 B9R0.45 C=CCCNCCCOC f114ed09e62c1c84dddd4497e61d0709 [0,0,0,0,0,0|2,0,2]=4 146 B9R0.45 C=CCCNCCCSC 82fa4646237d709aa853365c812d6ebb [0,0,0,0,0,0|2,0,2]=4 147 B9R0.45 C=CCCNCCOCC 3004d01d837d0f88a49d7ce90fd1bde4 [0,0,0,0,0,0|2,0,2]=4 148 B9R0.45 C=CCCNCCSCC 407d8c67af07288795fc606cb0bad476 [0,0,0,0,0,0|2,0,2]=4 149 B9R0.45 C=CCCOC/C=C/CC 93f37936ec932f02a04d1af23fc6d4a6 [0,0,0,0,0,0|0,0,4]=4 150 B9R0.45 C=CCCOC/C=C\CC 353d8f09b866f9610d2a0a5c958988fe [0,0,0,0,0,0|0,0,4]=4 151 B9R0.45 C=CCCOCC#CCC 42ae0d71f72e633c4a8b2d49a1332127 [0,0,0,0,0,0|0,0,4]=4 152 B9R0.45 C=CCCOCC/C=C/C 02bc0dfb02cee894d1854f0d5bcd976d [0,0,0,0,0,0|0,0,4]=4 153 B9R0.45 C=CCCOCCC#CC ae7dbff157c3634fda07427f5e28de39 [0,0,0,0,0,0|0,0,4]=4 154 B9R0.45 C=CCCOCCCC#N eff93b39875a1a2653a06dc6f83debe6 [0,0,0,0,0,0|1,0,3]=4 155 B9R0.45 C=CCCOCCCC=O 7836d275180373c5f8265311bdcc7219 [0,0,0,0,0,0|1,0,3]=4 156 B9R0.45 C=CCCOCCCCC 6e7cf8472e35f7c7bd7858bc8c7bfd04 [0,0,0,0,0,0|0,0,2]=2 157 B9R0.45 C=CCCOCCCCF d4ec7484466a64c13890e327fd29e039 [0,0,0,0,0,0|1,0,2]=3 158 B9R0.45 C=CCCOCCCCS 46572775d6dca25538d12c4917173d07 [0,0,0,0,0,0|1,0,2]=3 159 B9R0.45 C=CCCOCCCOC 2c2711f1681894e043a28c331b1790e2 [0,0,0,0,0,0|1,0,2]=3 160 B9R0.45 C=CCCOCCCSC a45023388d7b0125e3891a4f7bb25903 [0,0,0,0,0,0|1,0,2]=3 161 B9R0.45 C=CCCOCCOCC d362d26f2d685dd3fa35bff0ccc84647 [0,0,0,0,0,0|1,0,2]=3 162 B9R0.45 C=CCCOCCSCC fcb13c630a689c43c3fade0981e1cb62 [0,0,0,0,0,0|1,0,2]=3 163 B9R0.45 C=CCNCCCCCC 6384eba9acd253c5ddf82f9491922adb [0,0,0,0,0,0|2,0,2]=4 164 B9R0.45 C=CCOCCCCCC 87e2c78ad35addafbe1ba3af3a2416ee [0,0,0,0,0,0|2,0,2]=4 165 B9R0.45 C=COCCNCCCC a4714520314ca7cd019c104ad0112ac9 [0,0,0,0,0,0|2,0,2]=4 166 B9R0.45 C=COCCOCCCC c861b9e6afb5156062cdccf5beab2100 [0,0,0,0,0,0|1,0,2]=3 167 B9R0.45 C=COCCOCCCF 325dbbe62a7d23e9a09f0f079dac21f6 [0,0,0,0,0,0|2,0,2]=4 168 B9R0.45 C=COCCOCCCS 84870c3b7ba54bfa81156e923badff1a [0,0,0,0,0,0|2,0,2]=4 169 B9R0.45 C=COCCOCCOC d5c7454fb8eeee486998f67fc36cc9ef [0,0,0,0,0,0|2,0,2]=4 170 B9R0.45 C=COCCOCCSC 711c9866788c25cca93044aa576a1794 [0,0,0,0,0,0|2,0,2]=4 171 B9R0.45 C=COCCOCOCC 126e9a328f128a52a96dcf4759bdbcbd [0,0,0,0,0,0|2,0,2]=4 172 B9R0.45 CC#CCCCOCCC 4902122539f36e7166b52eecca3e8eb9 [0,0,0,0,0,0|2,0,2]=4 173 B9R0.45 CC#CCCOC/C=C/C af813050a4a74d0709314fec60a85422 [0,0,0,0,0,0|0,0,4]=4 174 B9R0.45 CC#CCCOC/C=C\C 3ecc8e8aaf8d4b0aa38714db311db02a [0,0,0,0,0,0|0,0,4]=4 175 B9R0.45 CC#CCCOCC#CC a238fb68ce103d7505a4aed72f874eee [0,0,0,0,0,0|0,0,4]=4 176 B9R0.45 CC#CCCOCCC#N 539bb6656c9b367cd558944e58b2887d [0,0,0,0,0,0|1,0,3]=4 177 B9R0.45 CC#CCCOCCC=O adbd8f28d576c2681f49f27738617938 [0,0,0,0,0,0|1,0,3]=4 178 B9R0.45 CC#CCCOCCCC c72a6c42998742ae583736d95f423721 [0,0,0,0,0,0|0,0,2]=2 179 B9R0.45 CC#CCCOCCCF d68f5b27fad706cdb4c8e74faca5b4b0 [0,0,0,0,0,0|1,0,2]=3 180 B9R0.45 CC#CCCOCCCS 71513e28d2a8c5f0d51dce110cbec3f1 [0,0,0,0,0,0|1,0,2]=3 181 B9R0.45 CC#CCCOCCOC b2f144ccef5761c41978e8f006cd3c40 [0,0,0,0,0,0|1,0,2]=3 182 B9R0.45 CC#CCCOCCSC f07dfe2e9ed293bc55dcaa0fe5d60424 [0,0,0,0,0,0|1,0,2]=3 183 B9R0.45 CC#CCCOCOCC 52d70ffb267cb5c4b5f4c4d58ce81ab7 [0,0,0,0,0,0|1,0,2]=3 184 B9R0.45 CC#CCNCCCCC d47d5b8099240cd81266a014f02e6c5e [0,0,0,0,0,0|1,0,2]=3 185 B9R0.45 CC#CCNCCCCF 30cc650b9f1b3c2a5b6d08a6f5adf4de [0,0,0,0,0,0|2,0,2]=4 186 B9R0.45 CC#CCNCCCCO 0239c4bc2d098da478173ff0009a4c88 [0,0,0,0,0,0|2,0,2]=4 187 B9R0.45 CC#CCNCCCOC f050fb5186a8d54f10652b8679f9b0ac [0,0,0,0,0,0|2,0,2]=4 188 B9R0.45 CC#CCNCCCSC fbd76e9c8ac60d2cdedfecdbf36c3a8d [0,0,0,0,0,0|2,0,2]=4 189 B9R0.45 CC#CCNCCOCC 5eebcfb6dce22dff71cd625eb042445b [0,0,0,0,0,0|2,0,2]=4 190 B9R0.45 CC#CCNCCSCC 2d2c7f31abb6119a928fd9daad50fe89 [0,0,0,0,0,0|2,0,2]=4 191 B9R0.45 CC#CCOC/C=C/CC 60db2036cfb75fa577c1cbaa41bcec8e [0,0,0,0,0,0|0,0,4]=4 192 B9R0.45 CC#CCOC/C=C\CC 063689b8062c4ebc9099fcda318b0377 [0,0,0,0,0,0|0,0,4]=4 193 B9R0.45 CC#CCOCCCC#N 5576b1f956e3020bfe106420a57c004b [0,0,0,0,0,0|1,0,3]=4 194 B9R0.45 CC#CCOCCCC=O c6eeb649665bb251aa6aec99d9e318c2 [0,0,0,0,0,0|1,0,3]=4 195 B9R0.45 CC#CCOCCCCC 07d04e7fc4125bc3518c9cd0bb6a8ff5 [0,0,0,0,0,0|0,0,2]=2 196 B9R0.45 CC#CCOCCCCF 1c4f629d94c754c5e5fbd1a104b0b99d [0,0,0,0,0,0|1,0,2]=3 197 B9R0.45 CC#CCOCCCOC d2ce0b570236dea4a0eec7803185fd5e [0,0,0,0,0,0|1,0,2]=3 198 B9R0.45 CC#CCOCCCSC d9e5825f85680e29700661b0f5f5bc30 [0,0,0,0,0,0|1,0,2]=3 199 B9R0.45 CC#CCOCCOCC caed5f995187ea668c4d672b9610cfd0 [0,0,0,0,0,0|1,0,2]=3 200 B9R0.45 CC#CCOCCSCC 854f6304702017fc6681fd641a759e26 [0,0,0,0,0,0|1,0,2]=3 201 B9R0.45 CC/C=C/CCOCCC 0a76c2aa4cb5309f57046e961567e1f0 [0,0,0,0,0,0|2,0,2]=4 202 B9R0.45 CC/C=C/CNCCCC 205e3a3cf2dfbd78bc9d1c77318f250d [0,0,0,0,0,0|1,0,2]=3 203 B9R0.45 CC/C=C/CNCCCCl b9ac4f8eafa053970d753e8d21549eb1 [0,0,0,0,0,0|2,0,2]=4 204 B9R0.45 CC/C=C/CNCCCO cb7b5cd9fbacab019b7f7229d9ec3bad [0,0,0,0,0,0|2,0,2]=4 205 B9R0.45 CC/C=C/CNCCOC 0d24164802d3640a6fe81918b88b9dd2 [0,0,0,0,0,0|2,0,2]=4 206 B9R0.45 CC/C=C/CNCCSC 7b3314ac243b2d89b88ee3c7957f607f [0,0,0,0,0,0|2,0,2]=4 207 B9R0.45 CC/C=C/COCCC#N 3efe37bf9cbde59408182e42b5d7164c [0,0,0,0,0,0|1,0,3]=4 208 B9R0.45 CC/C=C/COCCC=O d6f550e324359bfac415f041e46bdeb8 [0,0,0,0,0,0|1,0,3]=4 209 B9R0.45 CC/C=C/COCCCC 9dcd55c6f51e3b003595f546e655282b [0,0,0,0,0,0|0,0,2]=2 210 B9R0.45 CC/C=C/COCCCF 1bdd7c31c17136a0ee0cf9ba9dbb1645 [0,0,0,0,0,0|1,0,2]=3 211 B9R0.45 CC/C=C/COCCCS b790b5be01e61725cece8582b2949c8d [0,0,0,0,0,0|1,0,2]=3 212 B9R0.45 CC/C=C/COCCOC 2ab85f3f4b406678e53b18145e6c066d [0,0,0,0,0,0|1,0,2]=3 213 B9R0.45 CC/C=C/COCCSC 18b89071df33ae0d8403f439f52dcb53 [0,0,0,0,0,0|1,0,2]=3 214 B9R0.45 CC/C=C/COCOCC 50e4f4dcb8fa3a706b0c7b393f8b8c0d [0,0,0,0,0,0|1,0,2]=3 215 B9R0.45 CC/C=C\CCCOCC f3a75a504e13faa2cf8e35adf4ed3e3b [0,0,0,0,0,0|2,0,2]=4 216 B9R0.45 CC/C=C\CCNCCC 3bbbe00683e3d998587775bf41dd95d1 [0,0,0,0,0,0|2,0,2]=4 217 B9R0.45 CC/C=C\CCOCCC 5fdb5a65a47740420a9d274005a3115f [0,0,0,0,0,0|2,0,2]=4 218 B9R0.45 CC/C=C\COCCC#N f9bfce2c8b8c795f4f58b916d9f7a9b2 [0,0,0,0,0,0|1,0,3]=4 219 B9R0.45 CC/C=C\COCCC=O c07660cf26a3506f42ef614da4e3c32d [0,0,0,0,0,0|1,0,3]=4 220 B9R0.45 CC/C=C\COCCCC 02179af6b133216a2e2f2900dac6b807 [0,0,0,0,0,0|0,0,2]=2 221 B9R0.45 CC/C=C\COCCCF 72a1b5ac285dce171db4f5111b128f43 [0,0,0,0,0,0|1,0,2]=3 222 B9R0.45 CC/C=C\COCCCS 6e33151a0a5cf56487e599bfb322c44a [0,0,0,0,0,0|1,0,2]=3 223 B9R0.45 CC/C=C\COCCOC 4b82bbbe9d74c1cfc60aec77e1a195d5 [0,0,0,0,0,0|1,0,2]=3 224 B9R0.45 CC/C=C\COCCSC a73a03f865a08d6a2c8e0d94d81b602b [0,0,0,0,0,0|1,0,2]=3 225 B9R0.45 CC/C=C\COCOCC e813f39c64d857c1984d9d6aae25f396 [0,0,0,0,0,0|1,0,2]=3 226 B9R0.45 CC=CCCCOCCC 544004ad9efa2af2fea80f1c7a474136 [0,0,0,0,0,0|2,0,2]=4 227 B9R0.45 CC=CCNCCCCC 4ef4adafa1d8c573d6eb296bc442117e [0,0,0,0,0,0|1,0,2]=3 228 B9R0.45 CC=CCNCCCCF 62744c6021832e453433ea5e1cec96b9 [0,0,0,0,0,0|2,0,2]=4 229 B9R0.45 CC=CCNCCCCO b6b45149b09015d2bafd23ae2a68f9c1 [0,0,0,0,0,0|2,0,2]=4 230 B9R0.45 CC=CCNCCCOC b51c625de33f835a1cb45133d506e071 [0,0,0,0,0,0|2,0,2]=4 231 B9R0.45 CC=CCNCCCSC 1f53d026b2687eb5d595941ef6929c04 [0,0,0,0,0,0|2,0,2]=4 232 B9R0.45 CC=CCNCCOCC 7f373513c7f9bc55d0ea8511b91de21d [0,0,0,0,0,0|2,0,2]=4 233 B9R0.45 CC=CCNCCSCC 1a215b32363568fc2cf3fa953039a194 [0,0,0,0,0,0|2,0,2]=4 234 B9R0.45 CC=CCOC/C=C/CC 48441f285007ffe6d466ada70be3c31a [0,0,0,0,0,0|0,0,4]=4 235 B9R0.45 CC=CCOCC#CCC dbc9fe09640bef748474b52bfc2b935b [0,0,0,0,0,0|0,0,4]=4 236 B9R0.45 CC=CCOCCCC#N 92a43f27beedbd28e76c7259f6a87a1b [0,0,0,0,0,0|1,0,3]=4 237 B9R0.45 CC=CCOCCCC=O 069786811dbce850711240f2a30802c2 [0,0,0,0,0,0|1,0,3]=4 238 B9R0.45 CC=CCOCCCCC 805449d8867d5a337059530a7812a078 [0,0,0,0,0,0|0,0,2]=2 239 B9R0.45 CC=CCOCCCCF 6a8cb9313ca4b7bd38d5b438c4e9236e [0,0,0,0,0,0|1,0,2]=3 240 B9R0.45 CC=CCOCCCOC 0948e1eb74f1a2c9a6b4cce71af0db97 [0,0,0,0,0,0|1,0,2]=3 241 B9R0.45 CC=CCOCCCSC 931be6d2224eec3dcf1624c2b5a2a6e2 [0,0,0,0,0,0|1,0,2]=3 242 B9R0.45 CC=CCOCCOCC 8aaf0b6d05c0e664561b324cae6670b9 [0,0,0,0,0,0|1,0,2]=3 243 B9R0.45 CC=CCOCCSCC 1bfa6bc70dcde019a8187f955a73222b [0,0,0,0,0,0|1,0,2]=3 244 B9R0.45 CCC#CCCOCCC 4cc8a61a8d84e6a0c5e1fcd690fd5b56 [0,0,0,0,0,0|2,0,2]=4 245 B9R0.45 CCC#CCNCCCC b16b9ba44f9f00cc4bf164df593785df [0,0,0,0,0,0|1,0,2]=3 246 B9R0.45 CCC#CCNCCCCl 8edf6f67d9e6df0bf5d9795978c71b32 [0,0,0,0,0,0|2,0,2]=4 247 B9R0.45 CCC#CCNCCCO 56e61b33038f74080b8801eda5dac878 [0,0,0,0,0,0|2,0,2]=4 248 B9R0.45 CCC#CCNCCOC b1744ca4e0ff6b5a7be2c6e6779bc4fa [0,0,0,0,0,0|2,0,2]=4 249 B9R0.45 CCC#CCNCCSC 3658f57caf2bf338ad1b503c6dfeed1f [0,0,0,0,0,0|2,0,2]=4 250 B9R0.45 CCC#CCOCCC#N 18634510d0295290c5cbeb81d9c0df73 [0,0,0,0,0,0|1,0,3]=4 251 B9R0.45 CCC#CCOCCC=O 0baf7b445d32c592c84a854d0b977403 [0,0,0,0,0,0|1,0,3]=4 252 B9R0.45 CCC#CCOCCCC e29b05fd44bb447849a1841423f507ef [0,0,0,0,0,0|0,0,2]=2 253 B9R0.45 CCC#CCOCCCF 0217f4c344502a5a26b24dd4cd089299 [0,0,0,0,0,0|1,0,2]=3 254 B9R0.45 CCC#CCOCCCS 34ce5ff04da748fa31172fdd2c0bebeb [0,0,0,0,0,0|1,0,2]=3 255 B9R0.45 CCC#CCOCCOC 5151a106b1c1f68e0c54b006d39d5af0 [0,0,0,0,0,0|1,0,2]=3 256 B9R0.45 CCC#CCOCCSC 575fb0c46721b9edb217753d6543d000 [0,0,0,0,0,0|1,0,2]=3 257 B9R0.45 CCC#CCOCOCC a20e7e4e9ae8768f28e5f2a34e62dada [0,0,0,0,0,0|1,0,2]=3 258 B9R0.45 CCC/C=C/CNCCBr d3e07a232209fe5440777ccc661728b3 [0,0,0,0,0,0|3,0,1]=4 259 B9R0.45 CCC/C=C/CNCCC 859277d10260fb4868f057b0beb905a9 [0,0,0,0,0,0|2,0,1]=3 260 B9R0.45 CCC/C=C/CNCCF 0dab72024f268ec4fe15718f8c6d16aa [0,0,0,0,0,0|3,0,1]=4 261 B9R0.45 CCC/C=C/CNCCI 14cbd69f62801cb004945a1ced893a63 [0,0,0,0,0,0|3,0,1]=4 262 B9R0.45 CCC/C=C/CNCCO f36a34dbc29fb4af4c73acfa4003430e [0,0,0,0,0,0|3,0,1]=4 263 B9R0.45 CCC/C=C/CNCCS a4179fa1a875de08e09efe6fda165673 [0,0,0,0,0,0|3,0,1]=4 264 B9R0.45 CCC/C=C/COCCC e2603f506af8247235a50f3fd3dcc6bb [0,0,0,0,0,0|2,0,1]=3 265 B9R0.45 CCC/C=C/COCCF 978a5208ddf8dbd1daab1fe6009fa3a9 [0,0,0,0,0,0|3,0,1]=4 266 B9R0.45 CCC/C=C/COCCS 70b6887423dff1b8abacdf0010010f4d [0,0,0,0,0,0|3,0,1]=4 267 B9R0.45 CCC/C=C/COCOC 2ed18a1d7b328c128b9c9b7fe376ba14 [0,0,0,0,0,0|3,0,1]=4 268 B9R0.45 CCC/C=C/COCSC 0ed1754b723aa10b4a46ff1120cdef70 [0,0,0,0,0,0|3,0,1]=4 269 B9R0.45 CCC/C=C\CCOCC 22a9a7febcfe7dc866e40e1f973d5118 [0,0,0,0,0,0|2,0,1]=3 270 B9R0.45 CCC/C=C\CCOCF 2b67d157ac69da426b717a823272f886 [0,0,0,0,0,0|3,0,1]=4 271 B9R0.45 CCC/C=C\CNCCBr 1aaf2cfe08984012d1434b649e6912e9 [0,0,0,0,0,0|3,0,1]=4 272 B9R0.45 CCC/C=C\CNCCC 7ec0844d7fbfce65ba4c3c1af89a7542 [0,0,0,0,0,0|2,0,1]=3 273 B9R0.45 CCC/C=C\CNCCF 5c94f11b70b72a7893a0fbf9a05ecedd [0,0,0,0,0,0|3,0,1]=4 274 B9R0.45 CCC/C=C\CNCCI df01ebe4e9c691b07bce3ffc9f21436a [0,0,0,0,0,0|3,0,1]=4 275 B9R0.45 CCC/C=C\CNCCO cfdbb07d9a559faa9d3964c84bf4e450 [0,0,0,0,0,0|3,0,1]=4 276 B9R0.45 CCC/C=C\CNCCS 3cb85b4e8829d8514180b7119d194cda [0,0,0,0,0,0|3,0,1]=4 277 B9R0.45 CCC/C=C\COCCC c19f5c31ee9318be226094f6198923ec [0,0,0,0,0,0|2,0,1]=3 278 B9R0.45 CCC/C=C\COCCF 511c03796cf7185b66b2da83396e230d [0,0,0,0,0,0|3,0,1]=4 279 B9R0.45 CCC/C=C\COCCS 069417b43be98e62668d665c91d715b3 [0,0,0,0,0,0|3,0,1]=4 280 B9R0.45 CCC/C=C\COCOC 55ea190b49bb7f6c2655f389f986e42c [0,0,0,0,0,0|3,0,1]=4 281 B9R0.45 CCC/C=C\COCSC b8b2c6e8294ce2f2ef38018053320a26 [0,0,0,0,0,0|3,0,1]=4 282 B9R0.45 CCCC#CCCOCC 87cce18b1526d1564fd256422e3a5c87 [0,0,0,0,0,0|2,0,1]=3 283 B9R0.45 CCCC#CCCOCF 1cc43578f95f4d4a171ccc21c7910ecd [0,0,0,0,0,0|3,0,1]=4 284 B9R0.45 CCCC#CCOCCC ff72fbd1d49bd3be22c26f820479a5f0 [0,0,0,0,0,0|2,0,1]=3 285 B9R0.45 CCCC#CCOCCF a0222017798aa4876fa8c505c6ff3cbb [0,0,0,0,0,0|3,0,1]=4 286 B9R0.45 CCCC#CCOCCS dddf7abe8576297076af028dcd7d6d53 [0,0,0,0,0,0|3,0,1]=4 287 B9R0.45 CCCC#CCOCOC 9141c15afb0e89e709d4072d61135c2c [0,0,0,0,0,0|3,0,1]=4 288 B9R0.45 CCCC#CCOCSC 7d8968d32ed82d9ecf95395c86c0c55d [0,0,0,0,0,0|3,0,1]=4 289 B9R0.45 CCCC/C=C/COCC 054a7450f451f94427ddda8cd9685a27 [0,0,0,0,0,0|2,0,1]=3 290 B9R0.45 CCCC/C=C/COCF 57bc10b07f573c8f193a7f880638046b [0,0,0,0,0,0|3,0,1]=4 291 B9R0.45 CCCCC#CCOCC 6a491d1b6cd18fda4f66418d9ff25831 [0,0,0,0,0,0|2,0,1]=3 292 B9R0.45 CCCCC#CCOCF 00a4f621b8a0d15e467026ad90f06772 [0,0,0,0,0,0|3,0,1]=4 293 B9R0.45 CCCCCCCNC#N 248b00270638672a211be30b41165ea4 [0,0,0,0,0,0|3,0,1]=4 294 B9R0.45 CCCCCCCNC=O 9b073fb330d599f3dde0b2db41b840f2 [0,0,0,0,0,0|3,0,1]=4 295 B9R0.45 CCCCCCCNCC 31fa4e94f188453162c86e218e83a3fe [0,0,0,0,0,0|2,0,0]=2 296 B9R0.45 CCCCCCCNCF 39b29e109b290c792595feab642af08e [0,0,0,0,0,0|3,0,0]=3 297 B9R0.45 CCCCCCCNCO 7598d2cec5f82b679ede94b43530bd89 [0,0,0,0,0,0|3,0,0]=3 298 B9R0.45 CCCCCCCOCC afc5a86de4d9d2aada96fa893fe06937 [0,0,0,0,0,0|2,0,0]=2 299 B9R0.45 CCCCCCCOCF 34dddba0abdfe53e071e6123614e32ad [0,0,0,0,0,0|3,0,0]=3 300 B9R0.45 CCCCCCNCC#N f1982764285efd94f6d8f1be2d766cd1 [0,0,0,0,0,0|3,0,1]=4 301 B9R0.45 CCCCCCNCC=O 7bf21a30ec03a5d95442fb7cb6f190b9 [0,0,0,0,0,0|3,0,1]=4 302 B9R0.45 CCCCCCNCCBr 432851e349f9c8ac31da8524f48578e2 [0,0,0,0,0,0|3,0,0]=3 303 B9R0.45 CCCCCCNCCC e9c4dc74296e69be276b9ef8aee733d2 [0,0,0,0,0,0|2,0,0]=2 304 B9R0.45 CCCCCCNCCF 9254cc0c3491162ddb811a1ca350686d [0,0,0,0,0,0|3,0,0]=3 305 B9R0.45 CCCCCCNCCI 211348b41f09447d155ab96e959b3555 [0,0,0,0,0,0|3,0,0]=3 306 B9R0.45 CCCCCCNCCO 2c640e5cf0d398eb15c3da8e201ff9a9 [0,0,0,0,0,0|3,0,0]=3 307 B9R0.45 CCCCCCNCCS 295b56fa02564919637f2af1760de842 [0,0,0,0,0,0|3,0,0]=3 308 B9R0.45 CCCCCCNCOC aba2e41598bd49d27de9d216a6960960 [0,0,0,0,0,0|3,0,0]=3 309 B9R0.45 CCCCCCNCSC 26b8d5c53ba2ffb7a0ad7aeefcef29cb [0,0,0,0,0,0|3,0,0]=3 310 B9R0.45 CCCCCCOCC#N 41f322377cad05989d164a4262163638 [0,0,0,0,0,0|3,0,1]=4 311 B9R0.45 CCCCCCOCC=O bd855bb441849ecb00a1d491cea228b2 [0,0,0,0,0,0|3,0,1]=4 312 B9R0.45 CCCCCCOCCC e53b5b4f9e861a4f0969c775813c954e [0,0,0,0,0,0|2,0,0]=2 313 B9R0.45 CCCCCCOCCF 5c07b9abefb4c7383b2510ed2f25aa7d [0,0,0,0,0,0|3,0,0]=3 314 B9R0.45 CCCCCCOCCS dfca5cb8f17cf53fc21013be4aea075a [0,0,0,0,0,0|3,0,0]=3 315 B9R0.45 CCCCCCOCOC 6663dbbf181def3e6cf6b976451eb0e9 [0,0,0,0,0,0|3,0,0]=3 316 B9R0.45 CCCCCCOCSC ea8aeb7aec2e44107948b184f1a2484b [0,0,0,0,0,0|3,0,0]=3 317 B9R0.45 CCCCCNC/C=C/Cl dd2b4d6593db8690c89984276577f51f [0,0,0,0,0,0|2,0,2]=4 318 B9R0.45 CCCCCNC/C=C\Cl fb74b9636967ca4beacb07a8f7ddd469 [0,0,0,0,0,0|2,0,2]=4 319 B9R0.45 CCCCCNC/C=C\O a03bd9f596fd925d470752532a1e67bf [0,0,0,0,0,0|2,0,2]=4 320 B9R0.45 CCCCCNCCC#N cebb46d01d125ec08ad6d11a0ca21676 [0,0,0,0,0,0|2,0,1]=3 321 B9R0.45 CCCCCNCCC=O eb975a62ee073d19d198cbf0dd0dbc33 [0,0,0,0,0,0|2,0,1]=3 322 B9R0.45 CCCCCNCCCC 4b3b475ebd19f4e81120126dc44604b9 [0,0,0,0,0,0|1,0,0]=1 323 B9R0.45 CCCCCNCCCCl 109aece1b500375b78357a337e9896e4 [0,0,0,0,0,0|2,0,0]=2 324 B9R0.45 CCCCCNCCCF 5ad689e26c296fbe8637b1c72c8b1ac8 [0,0,0,0,0,0|2,0,0]=2 325 B9R0.45 CCCCCNCCCO 3cb5b804fc7f29c415be4738c214f571 [0,0,0,0,0,0|2,0,0]=2 326 B9R0.45 CCCCCNCCCS 7d387ec49be60b8d3336c43db9a47159 [0,0,0,0,0,0|2,0,0]=2 327 B9R0.45 CCCCCNCCOC 0d0c9f836b1b0f565b919320cde5807e [0,0,0,0,0,0|2,0,0]=2 328 B9R0.45 CCCCCNCCON 3f6e33ed7c17c07fd46f073b64cb680f [0,0,0,0,0,0|3,0,0]=3 329 B9R0.45 CCCCCNCCSC 738dc92cc1ee7c68b53e333bc3c1249e [0,0,0,0,0,0|2,0,0]=2 330 B9R0.45 CCCCCNCOCC 106dd0a5d7506881af71fe2f076cb844 [0,0,0,0,0,0|2,0,0]=2 331 B9R0.45 CCCCCNCSC#N d93af98c6cbd67f410e4259401143133 [0,0,0,0,0,0|3,0,1]=4 332 B9R0.45 CCCCCOC/C=C/Cl 902b3675920ce425dd913260445c6a1b [0,0,0,0,0,0|1,0,2]=3 333 B9R0.45 CCCCCOC/C=C\Cl 3081f394d252ec216de633eb3f90aefe [0,0,0,0,0,0|1,0,2]=3 334 B9R0.45 CCCCCOCC#CI 98f1a37650bbb5a5f719ea9888fd4110 [0,0,0,0,0,0|1,0,2]=3 335 B9R0.45 CCCCCOCC=CCl 1caf48ce8f7b269d545bfce57c62ccdf [0,0,0,0,0,0|1,0,2]=3 336 B9R0.45 CCCCCOCCC#N b56a90d4adc45e9e40fb67d86d26f6c5 [0,0,0,0,0,0|1,0,1]=2 337 B9R0.45 CCCCCOCCC=O ed64f81c6eb909127bbb96fe2d29088b [0,0,0,0,0,0|1,0,1]=2 338 B9R0.45 CCCCCOCCCC 452d4f5e08ae861a8237c2e4edaffcee [0,0,0,0,0,0|0,0,0]=0 339 B9R0.45 CCCCCOCCCF fafa7792cbca75bb6104f416c496b552 [0,0,0,0,0,0|1,0,0]=1 340 B9R0.45 CCCCCOCCCS d7a2eff0ce3ac908cbe201d57fc422a2 [0,0,0,0,0,0|1,0,0]=1 341 B9R0.45 CCCCCOCCOC 64d0f3f4ad4f7f2b3f2cc5427c5eba08 [0,0,0,0,0,0|1,0,0]=1 342 B9R0.45 CCCCCOCCSC 35787b22863a0bdd2a717cb23597facb [0,0,0,0,0,0|1,0,0]=1 343 B9R0.45 CCCCCOCOCC 61d6517ecd367dc788621782453f190f [0,0,0,0,0,0|1,0,0]=1 344 B9R0.45 CCCCCOCSC#N a0331f1c29aef1ee9c4e9f9e70981813 [0,0,0,0,0,0|2,0,1]=3 345 B9R0.45 CCCCNCC#CCO f9b46685816839424d05c17328cbd03f [0,0,0,0,0,0|2,0,2]=4 346 B9R0.45 CCCCNCCCC#N 68e4f040892091fa5c455116d9aa7e49 [0,0,0,0,0,0|2,0,1]=3 347 B9R0.45 CCCCNCCCC=O be1900420fface744e26218846840016 [0,0,0,0,0,0|2,0,1]=3 348 B9R0.45 CCCCNCCCCCl 8e0e9ebf8dfb1495f624013ef828e19e [0,0,0,0,0,0|2,0,0]=2 349 B9R0.45 CCCCNCCCCF 953d043841cd25eff2ef5c3d0831f1dd [0,0,0,0,0,0|2,0,0]=2 350 B9R0.45 CCCCNCCCCO 74a60cb017e8f2dcfff3bd80cde22232 [0,0,0,0,0,0|2,0,0]=2 351 B9R0.45 CCCCNCCCCS 293a84436b4673ea4650c3832cb6a843 [0,0,0,0,0,0|2,0,0]=2 352 B9R0.45 CCCCNCCCOC 788f960a3da4a154a6d1eb4fd6357034 [0,0,0,0,0,0|2,0,0]=2 353 B9R0.45 CCCCNCCCSC 1307aea73f697be7347c70961c337c72 [0,0,0,0,0,0|2,0,0]=2 354 B9R0.45 CCCCNCCOCC 39271ffac0a4948f82700c61c9eec153 [0,0,0,0,0,0|2,0,0]=2 355 B9R0.45 CCCCNCCSCC b1ef8d1aa777f7abf26f9f2c6eb99f55 [0,0,0,0,0,0|2,0,0]=2 356 B9R0.45 CCCCOC/C=C/C=O 2da2f2ec693713191f08b0d2f08d4dd9 [0,0,0,0,0,0|1,0,3]=4 357 B9R0.45 CCCCOCC=CC#N 604c3e00400d7381d624e197c000cd4a [0,0,0,0,0,0|1,0,3]=4 358 B9R0.45 CCCCOCCCC#N 3485bfd63f5f243eafd22661b7976f88 [0,0,0,0,0,0|1,0,1]=2 359 B9R0.45 CCCCOCCCC=O e3a2ccc9f19eff655a1e3387aa118b3a [0,0,0,0,0,0|1,0,1]=2 360 B9R0.45 CCCCOCCCCF 42830ea441c5128d22602f571e3205b9 [0,0,0,0,0,0|1,0,0]=1 361 B9R0.45 CCCCOCCCCS ec359e1317d20b353c1e6ee1fa4be1a0 [0,0,0,0,0,0|1,0,0]=1 362 B9R0.45 CCCCOCCCOC 94ce11a6d684ef526eb2e193b6598c58 [0,0,0,0,0,0|1,0,0]=1 363 B9R0.45 CCCCOCCCSC 62b74f8edfba0d3c5255c58121a65cb5 [0,0,0,0,0,0|1,0,0]=1 364 B9R0.45 CCCCOCCNC#N bf81be7ca7ca93c6a03b738fb755613c [0,0,0,0,0,0|2,0,1]=3 365 B9R0.45 CCCCOCCNC=O 4226cf4337dc176d54852a303582fe15 [0,0,0,0,0,0|2,0,1]=3 366 B9R0.45 CCCCOCCNCC c0f6eb404167932e0e88f86a69bff347 [0,0,0,0,0,0|1,0,0]=1 367 B9R0.45 CCCCOCCNCF 8b135b0f5074a5377d2a7e28c8efcd84 [0,0,0,0,0,0|2,0,0]=2 368 B9R0.45 CCCCOCCNCO cd975e60385ed19fb54161372698cee4 [0,0,0,0,0,0|2,0,0]=2 369 B9R0.45 CCCCOCCOC=O 731530ac43d06b0807181f538b37c31d [0,0,0,0,0,0|2,0,1]=3 370 B9R0.45 CCCCOCCOCC bc40d3f7a271e2ee8715a56f03d564ef [0,0,0,0,0,0|1,0,0]=1 371 B9R0.45 CCCCOCCOCF 07adb0bf6498af630a31d7ca7d57b829 [0,0,0,0,0,0|2,0,0]=2 372 B9R0.45 CCCCOCCSCC 4b27bedc971633e9128e01c7169daa62 [0,0,0,0,0,0|1,0,0]=1 373 B9R0.45 CCCCOCNCC#N 7b0d28e2eb54952158d505b5f8770d73 [0,0,0,0,0,0|2,0,1]=3 374 B9R0.45 CCCCOCNCCBr 8af49a902b107aa7c699883a58b69d70 [0,0,0,0,0,0|2,0,0]=2 375 B9R0.45 CCCCOCNCCC a731432b21a93145f59a9eee5ade548a [0,0,0,0,0,0|1,0,0]=1 376 B9R0.45 CCCCOCNCCF 2f03f8995a9a7c86acf72933bf9d05e6 [0,0,0,0,0,0|2,0,0]=2 377 B9R0.45 CCCCOCNCCI 1814069953d92dfb68f63dfb93029b9b [0,0,0,0,0,0|2,0,0]=2 378 B9R0.45 CCCCOCNCCO 6bb9eca64afcebb6f28e84a821a2a862 [0,0,0,0,0,0|2,0,0]=2 379 B9R0.45 CCCCOCNCCS 024b51c7b9a7aa53e1b6dec1ea932e98 [0,0,0,0,0,0|2,0,0]=2 380 B9R0.45 CCCCOCOCC#N e08713610e3991362fbe05c0a2f4b076 [0,0,0,0,0,0|2,0,1]=3 381 B9R0.45 CCCCOCOCCC bf8c796cfd1bba6ec2766c9548b22b8d [0,0,0,0,0,0|1,0,0]=1 382 B9R0.45 CCCCOCOCCF 36b5a84efa8f0d923bd230c7ea60f543 [0,0,0,0,0,0|2,0,0]=2 383 B9R0.45 CCCCOCOCCS b89141989678ee8d6f2313dbbd0de5e4 [0,0,0,0,0,0|2,0,0]=2 384 B9R0.45 CCCCOCOCOC 562738b96117a23492409bdce5892cd9 [0,0,0,0,0,0|2,0,0]=2 385 B9R0.45 CCCCSCCOCC 696d57545195b0a32e7d1cb44c602929 [0,0,0,0,0,0|1,1,0]=2 386 B9R0.45 CCCCSCCOCF 2ebbef8cba35a7b011868c08f9cbced9 [0,0,0,0,0,0|2,1,0]=3 387 B9R0.45 CCCNCC#CCOC 37a36a9d8f7648efb552822ade0ea11a [0,0,0,0,0,0|3,0,1]=4 388 B9R0.45 CCCNCCCCC#N e58f5053a708c2b2922849441f0ef1c2 [0,0,0,0,0,0|3,0,1]=4 389 B9R0.45 CCCNCCCCC=O f2022f14c7209eed0862d6ecf6b84706 [0,0,0,0,0,0|3,0,1]=4 390 B9R0.45 CCCNCCCCCCl 2d5ae8cd51b6a7e591941cb7b0622e55 [0,0,0,0,0,0|3,0,0]=3 391 B9R0.45 CCCNCCCCCF 7ddf79ca6b37ad2b5e8ddc392231f404 [0,0,0,0,0,0|3,0,0]=3 392 B9R0.45 CCCNCCCCCO f3d6f4913e5f254c1bf460b36dd70b4c [0,0,0,0,0,0|3,0,0]=3 393 B9R0.45 CCCNCCCCOC 3a911d7832cca15ffba1db8d75c3525f [0,0,0,0,0,0|3,0,0]=3 394 B9R0.45 CCCNCCCCON 9849545adc0af6ce550f1dc9bd374ca6 [0,0,0,0,0,0|4,0,0]=4 395 B9R0.45 CCCNCCCCSC 83af594d195aec376428f00fc6e6852d [0,0,0,0,0,0|3,0,0]=3 396 B9R0.45 CCCNCCCOCC a836c1341cedce3cb982b7dda3393120 [0,0,0,0,0,0|3,0,0]=3 397 B9R0.45 CCCNCCCSCC da25d421765166ddce276c23e4b27d3a [0,0,0,0,0,0|3,0,0]=3 398 B9R0.45 CCCNCCOCCC c9636642ffae561b1adc5cd9ae1dccad [0,0,0,0,0,0|3,0,0]=3 399 B9R0.45 CCCNCCOCCO 26e2580fee42af23b6bec1a5344f6efe [0,0,0,0,0,0|4,0,0]=4 400 B9R0.45 CCCNCCOCCS 22947c1b954d0143303aa38649974027 [0,0,0,0,0,0|4,0,0]=4 401 B9R0.45 CCCNCCOCOC bd87fbe1594af723cfb8d704107437f4 [0,0,0,0,0,0|4,0,0]=4 402 B9R0.45 CCCNCCSCCO 1f86c5fc79a4d95fd86404e323963902 [0,0,0,0,0,0|4,0,0]=4 403 B9R0.45 CCCNCOCCOC 1ff4fcd517daf00624ce18ae1c71f022 [0,0,0,0,0,0|2,0,0]=2 404 B9R0.45 CCCOCC#CCOC 1536774f0a1de22f9373fd9fdb876fc5 [0,0,0,0,0,0|3,0,1]=4 405 B9R0.45 CCCOCCCCC#N 609dbdde15359686ba1703d0b40c485a [0,0,0,0,0,0|3,0,1]=4 406 B9R0.45 CCCOCCCCC=O 8b78d2c4a466c2768be601b9198fb016 [0,0,0,0,0,0|3,0,1]=4 407 B9R0.45 CCCOCCCCCF b14e93115958730ea8214bff1c89eb77 [0,0,0,0,0,0|3,0,0]=3 408 B9R0.45 CCCOCCCCOC 3aa974714759e935d3dbeb5a361d1541 [0,0,0,0,0,0|3,0,0]=3 409 B9R0.45 CCCOCCCCSC 28df677e6e1829a07cbf3784e5a5b453 [0,0,0,0,0,0|3,0,0]=3 410 B9R0.45 CCCOCCCNCC 9c5f9e1a8eab534703971dfcd50dc3a4 [0,0,0,0,0,0|3,0,0]=3 411 B9R0.45 CCCOCCCNCF 1fa8ea4c53f6c4f7a20f066d63c8c48a [0,0,0,0,0,0|4,0,0]=4 412 B9R0.45 CCCOCCCNCO f453546a549baebba8d4dda9dd1f2b96 [0,0,0,0,0,0|4,0,0]=4 413 B9R0.45 CCCOCCCOCC 7ae5cc2cef81f72870de148e55495f6e [0,0,0,0,0,0|3,0,0]=3 414 B9R0.45 CCCOCCCSCC a587632712094e0a386067bb302c3743 [0,0,0,0,0,0|3,0,0]=3 415 B9R0.45 CCCOCCNCCBr 9f86e90a071edec2de61cdfd8199e5e2 [0,0,0,0,0,0|4,0,0]=4 416 B9R0.45 CCCOCCNCCF 1fb0f4589ef80568471bce7090c2014c [0,0,0,0,0,0|4,0,0]=4 417 B9R0.45 CCCOCCNCCI 8da2f45844ac2d978f81e207bd134493 [0,0,0,0,0,0|4,0,0]=4 418 B9R0.45 CCCOCCNCCO 2fe038760c01b7075e45b162c476ceb9 [0,0,0,0,0,0|4,0,0]=4 419 B9R0.45 CCCOCCNCCS 92de6dd4d0d6e015f57d04ac9b343cce [0,0,0,0,0,0|4,0,0]=4 420 B9R0.45 CCCOCCNCOC 8cb8215fa14e9a27a7b43ec8cd96ceda [0,0,0,0,0,0|4,0,0]=4 421 B9R0.45 CCCOCCNCSC 6bd7872fd3e7ce7d9d4aa75a52835035 [0,0,0,0,0,0|4,0,0]=4 422 B9R0.45 CCCOCCOCCC 96ef823798ad295a7793168e0a9a50d1 [0,0,0,0,0,0|3,0,0]=3 423 B9R0.45 CCCOCCOCCF 8a699727db0990fdbea753b75227c0f9 [0,0,0,0,0,0|4,0,0]=4 424 B9R0.45 CCCOCCOCCS 135d5deeb48c2dba9fda7000503f9b47 [0,0,0,0,0,0|4,0,0]=4 425 B9R0.45 CCCOCCOCOC d883cdf177c224a93accb6f6a22cfd33 [0,0,0,0,0,0|4,0,0]=4 426 B9R0.45 CCCOCCOCSC 6797f3697f583a66f6057547c0c4920a [0,0,0,0,0,0|4,0,0]=4 427 B9R0.45 CCCOCCSCCC ef95f0015148e44bf9c71ec82f7f1f36 [0,0,0,0,0,0|3,0,0]=3 428 B9R0.45 CCCOCOCCOC f5c30870d8f3cceba2555c383ac9ca27 [0,0,0,0,0,0|2,0,0]=2 429 B9R0.45 CCCSCCOCCF db000028d4bac3c185ca2424cafce511 [0,0,0,0,0,0|4,0,0]=4 430 B9R0.45 CCCSCCOCCS 839eda13d2fd3df796a512bffa6ac820 [0,0,0,0,0,0|4,0,0]=4 431 B9R0.45 CCCSCCOCOC a9485f0728bb45c5a3674595a8b65d75 [0,0,0,0,0,0|4,0,0]=4 432 B9R0.45 CCCSCCOCSC 9c50d16cbbe0474e2767510f403e1fbb [0,0,0,0,0,0|4,0,0]=4 433 B9R0.45 CCNCCCCCC#N 4fc10c41a4ee7406a902ba3cc176c872 [0,0,0,0,0,0|3,0,1]=4 434 B9R0.45 CCNCCCCCCCl 59b5285c49bc16b0b152df55e767300a [0,0,0,0,0,0|3,0,0]=3 435 B9R0.45 CCNCCCCCCO 59b1923e7d0b8671db87a813cf6b4ab5 [0,0,0,0,0,0|3,0,0]=3 436 B9R0.45 CCNCCCCCOC fc15d1f5a98279f7f6e7e0686f586bf9 [0,0,0,0,0,0|3,0,0]=3 437 B9R0.45 CCNCCCCSCC f8cf53852eae5c1d0e62790a5b5787e1 [0,0,0,0,0,0|3,0,0]=3 438 B9R0.45 CCNCCCOCCO 6c261c514fd28efb5350d358913fae05 [0,0,0,0,0,0|4,0,0]=4 439 B9R0.45 CCNCCOCCCO 0587f8b538abe097ec5a15ca1741ae9c [0,0,0,0,0,0|2,0,0]=2 440 B9R0.45 CCNCCOCCOC 970ed445813bc968f3810e0a25a03d0b [0,0,0,0,0,0|2,0,0]=2 441 B9R0.45 CCNCCOCCON d037f668e2ed6f960fc2cbfb57c1b1eb [0,0,0,0,0,0|3,0,0]=3 442 B9R0.45 CCNCCSSCCO 673e87d46c27e2b73b6faaf5c4761b73 [0,0,0,0,0,0|3,1,0]=4 443 B9R0.45 CCOCCCCCC#N 9f2d6d43772316271944d8067a0ddcf5 [0,0,0,0,0,0|3,0,1]=4 444 B9R0.45 CCOCCCCCCF 1581be03b145221792da0e70f0dc7ced [0,0,0,0,0,0|3,0,0]=3 445 B9R0.45 CCOCCCCCCS 890481a3122baa8d804b207afa67ebc3 [0,0,0,0,0,0|3,0,0]=3 446 B9R0.45 CCOCCCNCCBr 120fb1bbcef061796cfd615458a1c09b [0,0,0,0,0,0|4,0,0]=4 447 B9R0.45 CCOCCCNCCF c8ab431a7f192975976a75b85f386784 [0,0,0,0,0,0|4,0,0]=4 448 B9R0.45 CCOCCCNCCI 186450b645dbfa368730a83689c53490 [0,0,0,0,0,0|4,0,0]=4 449 B9R0.45 CCOCCCNCCO 2b9ad8b94ae5a803722e62535f4291fd [0,0,0,0,0,0|4,0,0]=4 450 B9R0.45 CCOCCCNCCS 8829b7afa69dd6274180d17a64733251 [0,0,0,0,0,0|4,0,0]=4 451 B9R0.45 CCOCCCNCOC 243308dd7027c1d01ea9bef7d5d8999c [0,0,0,0,0,0|4,0,0]=4 452 B9R0.45 CCOCCCNCSC 126e855ddfd6af8b2015b4bcfbadb9a3 [0,0,0,0,0,0|4,0,0]=4 453 B9R0.45 CCOCCCOCCF 714535e9c21efd3dc0f9881edb097992 [0,0,0,0,0,0|4,0,0]=4 454 B9R0.45 CCOCCCOCCS 3a94e0b4ae2eb58123f7cf02194f57c1 [0,0,0,0,0,0|4,0,0]=4 455 B9R0.45 CCOCCCOCOC 49ca5418b13db09e21d4436e86edc1d1 [0,0,0,0,0,0|4,0,0]=4 456 B9R0.45 CCOCCCOCSC 5933fe00c4fae79c8d73e60929d6345a [0,0,0,0,0,0|4,0,0]=4 457 B9R0.45 CCOCCNCCC#N 3c49a91609de62b6d2af4384f0aaccfc [0,0,0,0,0,0|3,0,1]=4 458 B9R0.45 CCOCCNCCC=O 1589f5d637413f41c0bad2d8a4cd3b81 [0,0,0,0,0,0|3,0,1]=4 459 B9R0.45 CCOCCNCCCCl 726d5a6adc61ac4487134bb97ac4e534 [0,0,0,0,0,0|3,0,0]=3 460 B9R0.45 CCOCCNCCCF a9abbaefc89944ba30d9f007b28e95eb [0,0,0,0,0,0|3,0,0]=3 461 B9R0.45 CCOCCNCCCO f920b2cdd5960150c1761b62d58446b4 [0,0,0,0,0,0|3,0,0]=3 462 B9R0.45 CCOCCNCCCS 54e54a642f3b0919395721cfe7d34325 [0,0,0,0,0,0|3,0,0]=3 463 B9R0.45 CCOCCNCCOC 75c2abf510459240d25a125a6ea3ce5b [0,0,0,0,0,0|3,0,0]=3 464 B9R0.45 CCOCCNCCON 62df95e9f6e4021a86c83d73768be514 [0,0,0,0,0,0|4,0,0]=4 465 B9R0.45 CCOCCNCCSC aba0090a72e2c2a08c16d1f995164dc4 [0,0,0,0,0,0|3,0,0]=3 466 B9R0.45 CCOCCNCOCC d316e3ab673ded4bd66aaa068b6c534d [0,0,0,0,0,0|3,0,0]=3 467 B9R0.45 CCOCCOC/C=C/Cl d21ca85748d49e963ec009221e6c538f [0,0,0,0,0,0|2,0,2]=4 468 B9R0.45 CCOCCOC/C=C\Cl 4e3f5a0ae37241c674019778d089ce1a [0,0,0,0,0,0|2,0,2]=4 469 B9R0.45 CCOCCOCC#CI cb04615b9919a1536f189562976df029 [0,0,0,0,0,0|2,0,2]=4 470 B9R0.45 CCOCCOCC=CCl 41d7c42e7579fc369e224c376b5ea081 [0,0,0,0,0,0|2,0,2]=4 471 B9R0.45 CCOCCOCCC#N 06a1e3828a166d2e7992ec288ca8b689 [0,0,0,0,0,0|2,0,1]=3 472 B9R0.45 CCOCCOCCC=O fba0b09a493de7243832a69755d5a406 [0,0,0,0,0,0|2,0,1]=3 473 B9R0.45 CCOCCOCCCF 6c21ca5dfb17a6c912498290c2d5e401 [0,0,0,0,0,0|2,0,0]=2 474 B9R0.45 CCOCCOCCCS 5b45dac295981c60698d04d6ce0eb913 [0,0,0,0,0,0|2,0,0]=2 475 B9R0.45 CCOCCOCCOC 47de0acc7a7446e675a0f9ec56feeb8a [0,0,0,0,0,0|2,0,0]=2 476 B9R0.45 CCOCCOCCSC 507e29f582b578a744efa276a08afe49 [0,0,0,0,0,0|2,0,0]=2 477 B9R0.45 CCOCCOCOCC cbd5723652bee0a3b18ace1025e1d4ef [0,0,0,0,0,0|2,0,0]=2 478 B9R0.45 CCOCCOCSC#N 584e962cb7a3ab94b127cd012c7b18cb [0,0,0,0,0,0|3,0,1]=4 479 B9R0.45 CCOCNCCCC#N 44462fcafd255a6b05d7e7ce0819ff24 [0,0,0,0,0,0|3,0,1]=4 480 B9R0.45 CCOCNCCCCCl 4584bfc607e6e62469bebb96fe236504 [0,0,0,0,0,0|3,0,0]=3 481 B9R0.45 CCOCNCCCCO 8a098d07046f425046fb40aa034ce721 [0,0,0,0,0,0|3,0,0]=3 482 B9R0.45 CCOCNCCCCS 8239e5b01a8402ac60489c45056df255 [0,0,0,0,0,0|3,0,0]=3 483 B9R0.45 CCOCNCCCOC 2d6757fddb21233ca70829ffaa9b46d4 [0,0,0,0,0,0|3,0,0]=3 484 B9R0.45 CCOCNCCCSC e0a66c2e55e14dad277d7193b451e432 [0,0,0,0,0,0|3,0,0]=3 485 B9R0.45 CCOCNCCSCC af9ae005bd309b67abf07c6e9184eaa0 [0,0,0,0,0,0|3,0,0]=3 486 B9R0.45 CCOCOCCCC#N 28769ece51c69011a0eb1109d82ba377 [0,0,0,0,0,0|2,0,1]=3 487 B9R0.45 CCOCOCCCC=O 8ebce82bd916a55c6d87bc905a09f51f [0,0,0,0,0,0|2,0,1]=3 488 B9R0.45 CCOCOCCCCF 0eb4a4f31028b7065d9297c42cd577e6 [0,0,0,0,0,0|2,0,0]=2 489 B9R0.45 CCOCOCCCCS fdf282ee46f26d46746bb3586f789932 [0,0,0,0,0,0|2,0,0]=2 490 B9R0.45 CCOCOCCCOC 24c9ae5c69bc9210f5986ab438ee08a2 [0,0,0,0,0,0|2,0,0]=2 491 B9R0.45 CCOCOCCCSC cdc0b01600dd841ed7ed121efe03e346 [0,0,0,0,0,0|2,0,0]=2 492 B9R0.45 CCOCOCCNC=O 1f04069abdc79a13f2b31dcce221deef [0,0,0,0,0,0|3,0,1]=4 493 B9R0.45 CCOCOCCOC=O 3f9d016c5825b4d3c13708d373f1904b [0,0,0,0,0,0|3,0,1]=4 494 B9R0.45 CCOCOCCSCC be0d66b1418e2a82034d9b99173dcb2a [0,0,0,0,0,0|2,0,0]=2 495 B9R0.45 CCSCCCCNCF d0ffe0fef83ebc9d8946061c82c152d3 [0,0,0,0,0,0|4,0,0]=4 496 B9R0.45 CCSCCCCNCO b5317d3d243e051b414811fd9803b081 [0,0,0,0,0,0|4,0,0]=4 497 B9R0.45 CCSCCCNCCBr b1c1b2cf9daedf772763ed40c3d8bcab [0,0,0,0,0,0|4,0,0]=4 498 B9R0.45 CCSCCCNCCF f4597b45c8bf53bfcefd8c1aa4b7549c [0,0,0,0,0,0|4,0,0]=4 499 B9R0.45 CCSCCCNCCI 80ef31e79aa01c131e6cf7c675a312af [0,0,0,0,0,0|4,0,0]=4 500 B9R0.45 CCSCCCNCCO b73a81c9666f167eb7df0d9e4e845db9 [0,0,0,0,0,0|4,0,0]=4 501 B9R0.45 CCSCCCNCCS 4c3310ae90eefdb6c1eeb1f81dc881e4 [0,0,0,0,0,0|4,0,0]=4 502 B9R0.45 CCSCCCOCCF ea17b98cdecfe1376818aaae8fa7edc5 [0,0,0,0,0,0|4,0,0]=4 503 B9R0.45 CCSCCCOCCS a30e9d31c5017336afd5e6cff0a5615d [0,0,0,0,0,0|4,0,0]=4 504 B9R0.45 CCSCCCOCOC 5cadd01a1a128aae76cfa321e1740b2e [0,0,0,0,0,0|4,0,0]=4 505 B9R0.45 CCSCCCOCSC c724d727513d8badfd80e3cc53a1bf48 [0,0,0,0,0,0|4,0,0]=4 506 B9R0.45 CCSCCNCCC#N 044cde7ee9f7eb0d0b98cd2b513cfe85 [0,0,0,0,0,0|3,0,1]=4 507 B9R0.45 CCSCCNCCC=O a73cdd3c5e667bfa86a2f130b2447f60 [0,0,0,0,0,0|3,0,1]=4 508 B9R0.45 CCSCCNCCCCl 2d860ade44d9cc46751c241450bb61dc [0,0,0,0,0,0|3,0,0]=3 509 B9R0.45 CCSCCNCCCF 038adb5a6b34bfccdb30b0743d1fc5dd [0,0,0,0,0,0|3,0,0]=3 510 B9R0.45 CCSCCNCCCO d094498045f2b61ea374614f3a36e63e [0,0,0,0,0,0|3,0,0]=3 511 B9R0.45 CCSCCNCCCS 9e9e68ace044ac8ef08f3a52efa39027 [0,0,0,0,0,0|3,0,0]=3 512 B9R0.45 CCSCCNCCOC 86cd4ec12f4d8a6c1f9298f7f7dcd921 [0,0,0,0,0,0|3,0,0]=3 513 B9R0.45 CCSCCNCCON 657d5675eb1b439269df280727c35c2b [0,0,0,0,0,0|4,0,0]=4 514 B9R0.45 CCSCCNCCSC eabdf826a471ef5724857c4f4906685a [0,0,0,0,0,0|3,0,0]=3 515 B9R0.45 CCSCCOC/C=C/Cl 6cfc629a0a39bc85947360638f1f00ea [0,0,0,0,0,0|2,0,2]=4 516 B9R0.45 CCSCCOC/C=C\Cl a1b2160a30b04ec1c30eb2293d1edd43 [0,0,0,0,0,0|2,0,2]=4 517 B9R0.45 CCSCCOCC#CI 100ab62f4fd5facbba6ee65df687bbf7 [0,0,0,0,0,0|2,0,2]=4 518 B9R0.45 CCSCCOCC=CCl faebf2045f6536596b25d52101ab8d90 [0,0,0,0,0,0|2,0,2]=4 519 B9R0.45 CCSCCOCCC#N eba4adf70853f3320b1e57bf39ef5474 [0,0,0,0,0,0|2,0,1]=3 520 B9R0.45 CCSCCOCCC=O 4abc77696f56ecc9cbf6b43c5ce07dd7 [0,0,0,0,0,0|2,0,1]=3 521 B9R0.45 CCSCCOCCCF 609cc5385915dd1e7a7c149cae7bfc22 [0,0,0,0,0,0|2,0,0]=2 522 B9R0.45 CCSCCOCCCS f00c1e7677c53c3d661b7a5f0701f1fc [0,0,0,0,0,0|2,0,0]=2 523 B9R0.45 CCSCCOCCOC 2b34995cce28f50875bf8f33b2ea66ef [0,0,0,0,0,0|2,0,0]=2 524 B9R0.45 CCSCCOCCSC dff42bcd24538ed6968a0ea75d545350 [0,0,0,0,0,0|2,0,0]=2 525 B9R0.45 CCSCCOCSC#N da5836b36346a808c1b1c315b994d06c [0,0,0,0,0,0|3,0,1]=4 526 B9R0.45 COCCCCCNCF 408761897685b9e7e9043c28034b8202 [0,0,0,0,0,0|4,0,0]=4 527 B9R0.45 COCCCCCNCO bcbefdff7df1910d96b91030fdd66d71 [0,0,0,0,0,0|4,0,0]=4 528 B9R0.45 COCCCCNCCBr 97767679fa62d1a1b91d15f80eddb1d6 [0,0,0,0,0,0|4,0,0]=4 529 B9R0.45 COCCCCNCCF ba2ac83f2fcd35fabef5cdb647f80efd [0,0,0,0,0,0|4,0,0]=4 530 B9R0.45 COCCCCNCCI 778c59a999b7783df4b42505b3a435d0 [0,0,0,0,0,0|4,0,0]=4 531 B9R0.45 COCCCCNCCO c64f84dda1c7e1a3b83c8677baf02563 [0,0,0,0,0,0|4,0,0]=4 532 B9R0.45 COCCCCNCCS ddae4248a4aad5b190586bd8b6b12b9d [0,0,0,0,0,0|4,0,0]=4 533 B9R0.45 COCCCCNCOC 67b615b8140985a10b44d49626d657d8 [0,0,0,0,0,0|4,0,0]=4 534 B9R0.45 COCCCCNCSC 5c83e7734059a90ac65b14037a0640f2 [0,0,0,0,0,0|4,0,0]=4 535 B9R0.45 COCCCCOCCF 8d811c473848c1b9e465e0faa6d2b7f8 [0,0,0,0,0,0|4,0,0]=4 536 B9R0.45 COCCCCOCCS 9c136081df91fabb4e2b6ddd13f67835 [0,0,0,0,0,0|4,0,0]=4 537 B9R0.45 COCCCCOCOC 079bab4bc7a5d63b09a4a47180aaff22 [0,0,0,0,0,0|4,0,0]=4 538 B9R0.45 COCCCCOCSC b96665b11f1788b8d409908b6cf086a3 [0,0,0,0,0,0|4,0,0]=4 539 B9R0.45 COCCCNCCC#N ae4e52692a8df616c649f9dae0151bcb [0,0,0,0,0,0|3,0,1]=4 540 B9R0.45 COCCCNCCC=O b57190bb20fa468cbc8789f244d6b619 [0,0,0,0,0,0|3,0,1]=4 541 B9R0.45 COCCCNCCCCl 9705b394217ae148696e911425352b68 [0,0,0,0,0,0|3,0,0]=3 542 B9R0.45 COCCCNCCCF 8df049e100a0386cf0d931a2444deb4c [0,0,0,0,0,0|3,0,0]=3 543 B9R0.45 COCCCNCCCO 80827af578dfd9221e88944d50b47203 [0,0,0,0,0,0|3,0,0]=3 544 B9R0.45 COCCCNCCCS 240c33c55966b2ccef0c7ff92e4b95f8 [0,0,0,0,0,0|3,0,0]=3 545 B9R0.45 COCCCNCCOC 6bf3edf2364e9dd1912a1db5e7adaa8b [0,0,0,0,0,0|3,0,0]=3 546 B9R0.45 COCCCNCCON 1c2356a0d0b9a59cffe01a1906b74b48 [0,0,0,0,0,0|4,0,0]=4 547 B9R0.45 COCCCNCCSC 6bbd1571862ae642047d09ba11e4e807 [0,0,0,0,0,0|3,0,0]=3 548 B9R0.45 COCCCOC/C=C/Cl a8739e4e0c80c90fd23ea74e6e304e49 [0,0,0,0,0,0|2,0,2]=4 549 B9R0.45 COCCCOC/C=C\Cl ac9aa020622232eaf51e601118f65e0a [0,0,0,0,0,0|2,0,2]=4 550 B9R0.45 COCCCOCC#CI d601282b3da0f1997283a40ae0245806 [0,0,0,0,0,0|2,0,2]=4 551 B9R0.45 COCCCOCC=CCl d6219d0127e3cc631360d92b7573b59b [0,0,0,0,0,0|2,0,2]=4 552 B9R0.45 COCCCOCCC#N 21b1d0c227b9786a4210f1cd5d0bedf2 [0,0,0,0,0,0|2,0,1]=3 553 B9R0.45 COCCCOCCC=O b6a7a464a93f4512a62aaafac7d2c3bf [0,0,0,0,0,0|2,0,1]=3 554 B9R0.45 COCCCOCCCF be4a7b6bffc7bdbc6be013e25622971e [0,0,0,0,0,0|2,0,0]=2 555 B9R0.45 COCCCOCCCS d2c23fd40bfcae6efbc6c9cb789a4072 [0,0,0,0,0,0|2,0,0]=2 556 B9R0.45 COCCCOCCOC 8d4448045401a91e89d55c0e8329b120 [0,0,0,0,0,0|2,0,0]=2 557 B9R0.45 COCCCOCCSC 548dd75bb9b1b4662b5fbabbfd265b58 [0,0,0,0,0,0|2,0,0]=2 558 B9R0.45 COCCCOCSC#N 516d257335efc170f9bf661d7768b60a [0,0,0,0,0,0|3,0,1]=4 559 B9R0.45 COCCNCCCC#N ca01e18ae3e3c9f523dc2de947246c9a [0,0,0,0,0,0|3,0,1]=4 560 B9R0.45 COCCNCCCC=O 8de8c440c27ce646b454682cc54ec04c [0,0,0,0,0,0|3,0,1]=4 561 B9R0.45 COCCNCCCCCl 44415ce691540b922e870f391fa4cb8e [0,0,0,0,0,0|3,0,0]=3 562 B9R0.45 COCCNCCCCF 1683834809cf87907ebfbdf3425bf892 [0,0,0,0,0,0|3,0,0]=3 563 B9R0.45 COCCNCCCCO 98a0ba2b4e7cfdb77ca7eb5bd158bcce [0,0,0,0,0,0|3,0,0]=3 564 B9R0.45 COCCNCCCCS 27990f0eb4b3533c044a30987b02ff92 [0,0,0,0,0,0|3,0,0]=3 565 B9R0.45 COCCNCCCSC 5acc6518722dda23f0e833b75bcb4d43 [0,0,0,0,0,0|3,0,0]=3 566 B9R0.45 COCCOCCCC#N c7255805e22bdb55165c0c43583322cd [0,0,0,0,0,0|2,0,1]=3 567 B9R0.45 COCCOCCCC=O 4eced31e0a91724ea66865665efb8a73 [0,0,0,0,0,0|2,0,1]=3 568 B9R0.45 COCCOCCCCF b20408ace74068d11d9a143f8e9c3002 [0,0,0,0,0,0|2,0,0]=2 569 B9R0.45 COCCOCCCCS e5e601e78ac3a0dacaff43ddb14a90d5 [0,0,0,0,0,0|2,0,0]=2 570 B9R0.45 COCCOCCCSC dab5475c0c46b9f6c0451d35e0188c9a [0,0,0,0,0,0|2,0,0]=2 571 B9R0.45 COCCOCCNC#N f1a1a4794779f1f4b41bd2e90e339eef [0,0,0,0,0,0|3,0,1]=4 572 B9R0.45 COCCOCCNC=O 5e7b5dc6a2bdf3c54f930b381d1b5f5a [0,0,0,0,0,0|3,0,1]=4 573 B9R0.45 COCCOCCNCF 4184f3076bfe4a3b080752e902f4d278 [0,0,0,0,0,0|3,0,0]=3 574 B9R0.45 COCCOCCNCO 05973b287fa9a329d3342646c56537ea [0,0,0,0,0,0|3,0,0]=3 575 B9R0.45 COCCOCCOC=O e4b02c69ad76bfd6e69932198cedf7cf [0,0,0,0,0,0|3,0,1]=4 576 B9R0.45 COCCOCCOCF d7dc49563384bf1cd8835cae9d71949a [0,0,0,0,0,0|3,0,0]=3 577 B9R0.45 COCCOCNCC#N da7154a8728d7d844b2d1618378ee68a [0,0,0,0,0,0|3,0,1]=4 578 B9R0.45 COCCOCNCCBr bb68ea969e011efa23255af82447b2ee [0,0,0,0,0,0|3,0,0]=3 579 B9R0.45 COCCOCNCCF 96a7536c8ece893bfd1b1500fc4f7c9d [0,0,0,0,0,0|3,0,0]=3 580 B9R0.45 COCCOCNCCI 6b491d1b17277007cdbbaaf0be689c42 [0,0,0,0,0,0|3,0,0]=3 581 B9R0.45 COCCOCNCCO 1a3b2f737d2297ee8b3affcbcdf81bf8 [0,0,0,0,0,0|3,0,0]=3 582 B9R0.45 COCCOCNCCS 198c285c2d39a6ace0ff6ca005e28655 [0,0,0,0,0,0|3,0,0]=3 583 B9R0.45 COCCOCOCC#N 8b80e5375a3426ef10da5f5c14afcf80 [0,0,0,0,0,0|3,0,1]=4 584 B9R0.45 COCCOCOCCF ef7e746a1f9ca3413b6756f9bffe57ba [0,0,0,0,0,0|3,0,0]=3 585 B9R0.45 COCCOCOCCS e68809ea3ecbf581c204e2a292ab0166 [0,0,0,0,0,0|3,0,0]=3 586 B9R0.45 COCCOCOCOC ad5a9449c39aaabd9e59801072229258 [0,0,0,0,0,0|3,0,0]=3 587 B9R0.45 COCNCCCCCCl a0dd12d6c92889ef5c9dbc7111355b22 [0,0,0,0,0,0|4,0,0]=4 588 B9R0.45 COCNCCCCCO 1110af8acba3f65702890e8caffb75f5 [0,0,0,0,0,0|4,0,0]=4 589 B9R0.45 COCNCCCCSC 3efcc2c8f87ad2a9616d23644d1eec36 [0,0,0,0,0,0|4,0,0]=4 590 B9R0.45 COCOCCCCCF 552d473a9e75c6c60097fb0f63ff4725 [0,0,0,0,0,0|4,0,0]=4 591 B9R0.45 COCOCCCCSC 5a8925a203895139b02568d02e8838f1 [0,0,0,0,0,0|4,0,0]=4 592 B9R0.45 CSCCCCNCCF eb4285f3465d50eb1499c52088cbf457 [0,0,0,0,0,0|4,0,0]=4 593 B9R0.45 CSCCCCNCCO 71aec6063e81fccb3b9166d912cdd51e [0,0,0,0,0,0|4,0,0]=4 594 B9R0.45 CSCCCCNCCS 682e8882989090aad15ae2199ea00079 [0,0,0,0,0,0|4,0,0]=4 595 B9R0.45 CSCCCCNCSC 9004b0297f052132bc439104f557fc1a [0,0,0,0,0,0|4,0,0]=4 596 B9R0.45 CSCCCCOCCF aac887e51d5db9e5aa39f268153a3254 [0,0,0,0,0,0|4,0,0]=4 597 B9R0.45 CSCCCCOCCS 33de980d5fadef5f1403ffcc395bac65 [0,0,0,0,0,0|4,0,0]=4 598 B9R0.45 CSCCCCOCSC 417291c6267fa98c1c8e9917f938c6b4 [0,0,0,0,0,0|4,0,0]=4 599 B9R0.45 CSCCCNCCC#N f059cea59380bc5811ad49a4c94a3714 [0,0,0,0,0,0|3,0,1]=4 600 B9R0.45 CSCCCNCCC=O d38fed5441cd6c2e041c6d8986238557 [0,0,0,0,0,0|3,0,1]=4 601 B9R0.45 CSCCCNCCCCl 7f4c78f16ac095cee3176ca12fcee4a0 [0,0,0,0,0,0|3,0,0]=3 602 B9R0.45 CSCCCNCCCF 4052620c5bdf251b957b5f3bde50156a [0,0,0,0,0,0|3,0,0]=3 603 B9R0.45 CSCCCNCCCO 28a7baa82e21352faa8b2b7ae1ad9e7c [0,0,0,0,0,0|3,0,0]=3 604 B9R0.45 CSCCCNCCCS 97057dd7d935d2f95b3ee1000cbb184d [0,0,0,0,0,0|3,0,0]=3 605 B9R0.45 CSCCCNCCON 6126a4c2e6e275cfdd0a038c21356ed1 [0,0,0,0,0,0|4,0,0]=4 606 B9R0.45 CSCCCNCCSC 2f06fa7b97b4146d991f471dbf0a7c93 [0,0,0,0,0,0|3,0,0]=3 607 B9R0.45 CSCCCOC/C=C/Cl 953110c37c8f1d696f3b3d249468310d [0,0,0,0,0,0|2,0,2]=4 608 B9R0.45 CSCCCOC/C=C\Cl e6fa9fc6ddc50d0b38473ef87e87ee22 [0,0,0,0,0,0|2,0,2]=4 609 B9R0.45 CSCCCOCC#CI 70b1ff67bfba9465d11785df211eb4cc [0,0,0,0,0,0|2,0,2]=4 610 B9R0.45 CSCCCOCC=CCl 3c527ae5a2db076ec65c9486dca2bfef [0,0,0,0,0,0|2,0,2]=4 611 B9R0.45 CSCCCOCCC#N 69d7956b0d843aa67dc433be64c64a1c [0,0,0,0,0,0|2,0,1]=3 612 B9R0.45 CSCCCOCCC=O 8295bf8657dc69649b9faab665f00482 [0,0,0,0,0,0|2,0,1]=3 613 B9R0.45 CSCCCOCCCF cb30debe154d4a7b3005d488cfb6fa61 [0,0,0,0,0,0|2,0,0]=2 614 B9R0.45 CSCCCOCCCS 0391bd7bea00218f448987cd36d5692b [0,0,0,0,0,0|2,0,0]=2 615 B9R0.45 CSCCCOCCSC 9150bed872b2d0fc2d95b9fd47ac634b [0,0,0,0,0,0|2,0,0]=2 616 B9R0.45 CSCCCOCSC#N 0728d537fe97caa68e9afdaeaafa7f99 [0,0,0,0,0,0|3,0,1]=4 617 B9R0.45 CSCCNCCCC#N 68c8840569b09f6431d8cd2e14ceefac [0,0,0,0,0,0|3,0,1]=4 618 B9R0.45 CSCCNCCCC=O 8d7d5642d85386280bfc36051d0df084 [0,0,0,0,0,0|3,0,1]=4 619 B9R0.45 CSCCNCCCCCl 85af5239132b11d8e5818503435dc73b [0,0,0,0,0,0|3,0,0]=3 620 B9R0.45 CSCCNCCCCF 67050d45317e3fec381fef45ca9c6729 [0,0,0,0,0,0|3,0,0]=3 621 B9R0.45 CSCCNCCCCO 62e46910418c4ce52244f7fbd91c204a [0,0,0,0,0,0|3,0,0]=3 622 B9R0.45 CSCCNCCCCS ed99b0ba4147c99a639241029e1f64f8 [0,0,0,0,0,0|3,0,0]=3 623 B9R0.45 CSCCOCCCC#N 75042e2c1d7f48116b05e0b5336fece7 [0,0,0,0,0,0|2,0,1]=3 624 B9R0.45 CSCCOCCCC=O 52e7ca7dbd7d70965091faf706831a8b [0,0,0,0,0,0|2,0,1]=3 625 B9R0.45 CSCCOCCCCF b0c90fda651092e4188cbba95d298c71 [0,0,0,0,0,0|2,0,0]=2 626 B9R0.45 CSCCOCCCCS 7bc51830898adb55a997ac08cfc7c8a8 [0,0,0,0,0,0|2,0,0]=2 627 B9R0.45 CSCCOCCNC=O 45e773006217e1f2d795f168e07555a6 [0,0,0,0,0,0|3,0,1]=4 628 B9R0.45 CSCCOCCOC=O 40e891e92003ea888885a83977e0fbb7 [0,0,0,0,0,0|3,0,1]=4 629 B9R0.45 CSCNCCCCCCl 0b603e33beb081e9c74bb4afe9d4d0e7 [0,0,0,0,0,0|4,0,0]=4 630 B9R0.45 CSCNCCCCCO 5bb2e7db9b994ef76c056647cef0a208 [0,0,0,0,0,0|4,0,0]=4 631 B9R0.45 FCCCCCCOCF 7fc0be4fea9d788b90d0660a719e3795 [0,0,0,0,0,0|4,0,0]=4 632 B9R0.45 FCCCCCNCCBr dce5795b6e362f6f81c2b4c1b6dd1f9d [0,0,0,0,0,0|4,0,0]=4 633 B9R0.45 FCCCCCNCCF 7fe63aca5cdc241e7c8cd453bf41d70b [0,0,0,0,0,0|4,0,0]=4 634 B9R0.45 FCCCCCNCCI ca96c77768ae738bd37fab0686d3adba [0,0,0,0,0,0|4,0,0]=4 635 B9R0.45 FCCCCCNCCS 39d9c748010810332a70db8f544b7153 [0,0,0,0,0,0|4,0,0]=4 636 B9R0.45 FCCCCCOCCF 730daee247e71afcf11a456cbc27167d [0,0,0,0,0,0|4,0,0]=4 637 B9R0.45 FCCCCCOCCS c444156405502fbe4bce7524fa0a32df [0,0,0,0,0,0|4,0,0]=4 638 B9R0.45 FCCCCNCCCCl 12fed9dc35508f2802d02f716f90f8f5 [0,0,0,0,0,0|3,0,0]=3 639 B9R0.45 FCCCCOC/C=C/Cl 8eb11471f2c3886d1faebc4a84a8f6cc [0,0,0,0,0,0|2,0,2]=4 640 B9R0.45 FCCCCOC/C=C\Cl a7ea56c1fc92c39de2b154feb4ab02c9 [0,0,0,0,0,0|2,0,2]=4 641 B9R0.45 FCCCCOCC#CI 921924857a3cd6705c16d6bde0250608 [0,0,0,0,0,0|2,0,2]=4 642 B9R0.45 FCCCCOCC=CCl ed0229fac74ff2828cf030685940c5a5 [0,0,0,0,0,0|2,0,2]=4 643 B9R0.45 FCCCCOCCCF ff91a2a5bb12ba135ba2bf8e130183dd [0,0,0,0,0,0|2,0,0]=2 644 B9R0.45 FCCCCOCCCS 574abf66c2026bf7345e52ca658fb3fe [0,0,0,0,0,0|2,0,0]=2 645 B9R0.45 FCCCNCCCCCl 424fa896e39e4b23a0d73accaabe0334 [0,0,0,0,0,0|3,0,0]=3 646 B9R0.45 FCCCNCCCCS b6502df80635be2247403e587a33bec3 [0,0,0,0,0,0|3,0,0]=3 647 B9R0.45 FCCCOCCCCS 7010b785144f3aae609eeb67e5b5fb09 [0,0,0,0,0,0|2,0,0]=2 648 B9R0.45 FCCNCCCCCCl a79b69a2d6f82399364dc9e942b39241 [0,0,0,0,0,0|4,0,0]=4 649 B9R0.45 FCNCCCCCCCl 78c6929f3129eb6d06ca105ce320613c [0,0,0,0,0,0|4,0,0]=4 650 B9R0.45 FCOCCCCCCS bc16a0c993f73bdeec29888445293583 [0,0,0,0,0,0|4,0,0]=4 651 B9R0.45 N#CCCCNCCCCl 5e47de6d86b5716a38ed4d6f2f845531 [0,0,0,0,0,0|3,0,1]=4 652 B9R0.45 N#CCCCNCCCF d81ed753f0679c4e90bcfa9d776f3ce8 [0,0,0,0,0,0|3,0,1]=4 653 B9R0.45 N#CCCCNCCCO 405707629da08b0419a19bb721585805 [0,0,0,0,0,0|3,0,1]=4 654 B9R0.45 N#CCCCNCCCS c442519ee127d38a740055112a29a57c [0,0,0,0,0,0|3,0,1]=4 655 B9R0.45 N#CCCCOCCC#N 4dcfba85109d18d4b0d813859e2a4fb3 [0,0,0,0,0,0|2,0,2]=4 656 B9R0.45 N#CCCCOCCC=O 0a6df9c30b4a59527dbedb9f11421c96 [0,0,0,0,0,0|2,0,2]=4 657 B9R0.45 N#CCCCOCCCF ecae47bd752538b1e595278f676cbf52 [0,0,0,0,0,0|2,0,1]=3 658 B9R0.45 N#CCCCOCCCS 87f3e183e7450c48a0767b73a962b230 [0,0,0,0,0,0|2,0,1]=3 659 B9R0.45 N#CCCNCCCCCl 4ec993cc8d8b85332b0b2ca871f6d09d [0,0,0,0,0,0|3,0,1]=4 660 B9R0.45 N#CCCNCCCCF 8a8036c5dffd2e1a2a38a6b4070bbfa9 [0,0,0,0,0,0|3,0,1]=4 661 B9R0.45 N#CCCNCCCCO 8f31110df948a5da40f0fc55e4e2b411 [0,0,0,0,0,0|3,0,1]=4 662 B9R0.45 N#CCCNCCCCS c18dd9a6c27892607f9a9bcd5d9386f7 [0,0,0,0,0,0|3,0,1]=4 663 B9R0.45 N#CCCOCCCC=O d6a9ec1909ce723f0328c3000aa7c7e2 [0,0,0,0,0,0|2,0,2]=4 664 B9R0.45 N#CCCOCCCCF 8b21112bc540d29686d0ed57de84b37c [0,0,0,0,0,0|2,0,1]=3 665 B9R0.45 N#CCCOCCCCS d73ffec7edbe136df99b3856a723df19 [0,0,0,0,0,0|2,0,1]=3 666 B9R0.45 N#CCCOCCOCF cfa0303ac1d38d43981c8387e7d6e416 [0,0,0,0,0,0|3,0,1]=4 667 B9R0.45 N#CSCOCCCCF 90dd9441046b18c8586fecc11fd5e0ce [0,0,0,0,0,0|3,0,1]=4 668 B9R0.45 N#CSCOCCCCS 00aeb86e1535756628e497960f317469 [0,0,0,0,0,0|3,0,1]=4 669 B9R0.45 NOCCNCCCCF 310243ec127a8ca6e81f867ec9c88c3a [0,0,0,0,0,0|4,0,0]=4 670 B9R0.45 NOCCNCCCCO 52a45d1382cbb83a17f55fac93f63db8 [0,0,0,0,0,0|4,0,0]=4 671 B9R0.45 NOCCOCCNCF 16b2281cb9d5417dee315dd77df8bcf8 [0,0,0,0,0,0|4,0,0]=4 672 B9R0.45 NOCCOCCNCO 1efe69231a3c3ef66e0edd40a720f97e [0,0,0,0,0,0|4,0,0]=4 673 B9R0.45 O=CCCCNCCCCl 3dae4dda634271ae27163fd45f5d3163 [0,0,0,0,0,0|3,0,1]=4 674 B9R0.45 O=CCCCNCCCO 58ef7b77b7be690608fd65ce9c6abe71 [0,0,0,0,0,0|3,0,1]=4 675 B9R0.45 O=CCCCOCCC=O de1a62baa6fb31c701c46d9e029ef69d [0,0,0,0,0,0|2,0,2]=4 676 B9R0.45 O=CCCCOCCCF e1070872c292eb7b879ef21318c9c15c [0,0,0,0,0,0|2,0,1]=3 677 B9R0.45 O=CCCCOCCCS 138cbbec11bd45b1a4d85bf9b5287b7a [0,0,0,0,0,0|2,0,1]=3 678 B9R0.45 O=CCCNCCCCCl f851f5adb29aefdb303aca6a0afddb51 [0,0,0,0,0,0|3,0,1]=4 679 B9R0.45 O=CCCNCCCCO e756673586d39ac10639a8b5db39bc11 [0,0,0,0,0,0|3,0,1]=4 680 B9R0.45 O=CCCNCCCCS a16cbec588d57d2616e56c10fc4cf764 [0,0,0,0,0,0|3,0,1]=4 681 B9R0.45 O=CCCOCCCCF b28a94840b1fc0f0b86ff0a09810e8f8 [0,0,0,0,0,0|2,0,1]=3 682 B9R0.45 O=CCCOCCCCS 1e02f2461dcb63ee34b6c10ad7ae6e80 [0,0,0,0,0,0|2,0,1]=3 683 B9R0.45 O=CNCCOCCCF aecb41e1dec5d5cfb70b44dddd0a16bd [0,0,0,0,0,0|3,0,1]=4 684 B9R0.45 O=CNCCOCCCO 2927b39b5e49691c6067a00f092b2e7d [0,0,0,0,0,0|3,0,1]=4 685 B9R0.45 O=CNCCOCCCS 2f83dfa3851bd131879a6c8d5ea708d2 [0,0,0,0,0,0|3,0,1]=4 686 B9R0.45 O=COCCOCCCF c6307ebf3fb8c4d9a04e9e143e22f0f0 [0,0,0,0,0,0|3,0,1]=4 687 B9R0.45 O=COCCOCCCS d7818eb647bba146b010bb20a5b86538 [0,0,0,0,0,0|3,0,1]=4 688 B9R0.45 OCCCCCCNCF 9f8dd59df8b832f35306dcc311b8ba0b [0,0,0,0,0,0|4,0,0]=4 689 B9R0.45 OCCCCCCNCO b03974d5eaea260ed44c4429a42a8efd [0,0,0,0,0,0|4,0,0]=4 690 B9R0.45 OCCCCCNCCBr b6fe72a70aa9ee94c38953fc5fa03507 [0,0,0,0,0,0|4,0,0]=4 691 B9R0.45 OCCCCCNCCF efe70d32a4c6133cd05e8c1bf8301a0a [0,0,0,0,0,0|4,0,0]=4 692 B9R0.45 OCCCCCNCCI 4b343205ce8465baed90cb0f419c6c4d [0,0,0,0,0,0|4,0,0]=4 693 B9R0.45 OCCCCCNCCO c6e0d5af126a56a449acd76dabb0d0a6 [0,0,0,0,0,0|4,0,0]=4 694 B9R0.45 OCCCCCNCCS 81db03003d62237a4ac003bf8b7c1409 [0,0,0,0,0,0|4,0,0]=4 695 B9R0.45 OCCCCNCCCCl 5d4dd36721e99428cdc35a6893c3e2fe [0,0,0,0,0,0|3,0,0]=3 696 B9R0.45 OCCCCNCCCF 6f20b166a61175e5d8c115f1b02448f2 [0,0,0,0,0,0|3,0,0]=3 697 B9R0.45 OCCCCNCCCO 5785bad1b39de5e973646d0653e00598 [0,0,0,0,0,0|3,0,0]=3 698 B9R0.45 OCCCCNCCCS 15be786d5d00bee1f4424bf326f6da44 [0,0,0,0,0,0|3,0,0]=3 699 B9R0.45 OCCCNCCCCCl 19919d9b789640b88d6d653b90e1be74 [0,0,0,0,0,0|3,0,0]=3 700 B9R0.45 OCCCNCCCCF 1b694695d8d20de2554ac05a72c91dce [0,0,0,0,0,0|3,0,0]=3 701 B9R0.45 OCCCNCCCCS 8e91b12d63d803cd106ce9f5169f8923 [0,0,0,0,0,0|3,0,0]=3 702 B9R0.45 OCCCOCCNCF f15212b83baac0e86e02d9bfc9f13e21 [0,0,0,0,0,0|3,0,0]=3 703 B9R0.45 OCCCOCCNCO adf9c5412c7d79ddb7d51a3b681206a7 [0,0,0,0,0,0|3,0,0]=3 704 B9R0.45 OCCNCCCCCCl e9f98005127c4b0d506088db3b60ee60 [0,0,0,0,0,0|4,0,0]=4 705 B9R0.45 OCCNCCCCCF 758b4b8080a41888cab6ab1d11640066 [0,0,0,0,0,0|4,0,0]=4 706 B9R0.45 OCNCCCCCCCl 6c66f104945205670f9512f61ea483f8 [0,0,0,0,0,0|4,0,0]=4 707 B9R0.45 SCCCCNCCCS 52e31175b40890d5df18b144eab7acd6 [0,0,0,0,0,0|3,0,0]=3 708 B9R0.45 SCCCCOC/C=C/Cl 4ee4661329eea7bb56727b1b161ee4a5 [0,0,0,0,0,0|2,0,2]=4 709 B9R0.45 SCCCCOC/C=C\Cl 8f7535932d06c7b346539707611655b3 [0,0,0,0,0,0|2,0,2]=4 710 B9R0.45 SCCCCOCCCS b7680e9b2ba2fe24d6f57101d2c06d7b [0,0,0,0,0,0|2,0,0]=2 711 B9R0.45 SCCCNCCCCCl a8500181cb93f61928fae606cdb0a5c8 [0,0,0,0,0,0|3,0,0]=3 712 B9R0.45 SCCNCCCCCCl 1ad9c566dc6f6107f2e7c5f2c811a3d0 [0,0,0,0,0,0|4,0,0]=4 713 B8R0.4 C#CCCCCNCC 3fcf9ac93459248fb13bcf29c085c540 [1,0,0,0,0,0|1,0,2]=4 714 B8R0.4 C#CCCCCOCC 289e2b02f0139725ae39a923782166d5 [1,0,0,0,0,0|1,0,2]=4 715 B8R0.4 C#CCCCNCCC 5741edfb5fc37a0fd94ab80872f199ae [1,0,0,0,0,0|1,0,2]=4 716 B8R0.4 C#CCCCOCCC f6e548e043c266c18f3f2bc45e2b26e7 [1,0,0,0,0,0|0,0,2]=3 717 B8R0.4 C#CCCCOCCF 10d8dde60c1dcaf55cf37451c45f7a55 [1,0,0,0,0,0|1,0,2]=4 718 B8R0.4 C#CCCCOCCS 82123731fa65d90c2c556787eb967ee2 [1,0,0,0,0,0|1,0,2]=4 719 B8R0.4 C#CCCCOCOC 396f346cd0a5757504fe3ce81de20dd4 [1,0,0,0,0,0|1,0,2]=4 720 B8R0.4 C#CCCCOCSC ae525969ae73c6cf3e73e0df8becf565 [1,0,0,0,0,0|1,0,2]=4 721 B8R0.4 C#CCCNCCCC d822834a6bb9f412f2c9985f130cc8f3 [1,0,0,0,0,0|1,0,2]=4 722 B8R0.4 C#CCCOCCCC 85c008a45b6353cea119cc5cda149ac2 [1,0,0,0,0,0|0,0,2]=3 723 B8R0.4 C#CCCOCCCF 64f2653c4d46aac9fc45491f36dff66d [1,0,0,0,0,0|1,0,2]=4 724 B8R0.4 C#CCCOCCCS af0bd4614486613386b889952c953877 [1,0,0,0,0,0|1,0,2]=4 725 B8R0.4 C#CCCOCCOC 919a96412a1e4c793962b40a0d4bf31c [1,0,0,0,0,0|1,0,2]=4 726 B8R0.4 C#CCCOCCSC 25dc589773d3fea7b865bb1dd21ccf91 [1,0,0,0,0,0|1,0,2]=4 727 B8R0.4 C#CCCOCOCC 8e084814a9b0f1acd11ad9efdba978dd [1,0,0,0,0,0|1,0,2]=4 728 B8R0.4 C#CCNCCCCC 6449ee4961bcec0a8b702070fb728670 [1,0,0,0,0,0|1,0,2]=4 729 B8R0.4 C#CCOCCCCC b060b391600b8a6b8af1e059657888e9 [1,0,0,0,0,0|0,0,2]=3 730 B8R0.4 C#CCOCCCCF d625dd293087f9d297711b05eb7cb7f1 [1,0,0,0,0,0|1,0,2]=4 731 B8R0.4 C#CCOCCCCS 08ffc40040f2b4e6c271a58c4d52d007 [1,0,0,0,0,0|1,0,2]=4 732 B8R0.4 C#CCOCCCOC 30a8118957e99c5f37b721ef3e72eebb [1,0,0,0,0,0|1,0,2]=4 733 B8R0.4 C#CCOCCCSC c0dc8fd7c85c36ff30d96e54057fe426 [1,0,0,0,0,0|1,0,2]=4 734 B8R0.4 C#CCOCCNCC 69dc12126588c17be59a3aa9b28487ba [1,0,0,0,0,0|1,0,2]=4 735 B8R0.4 C#CCOCCOCC 8b3aed694778a9f49bea51fbc8b8fa73 [1,0,0,0,0,0|1,0,2]=4 736 B8R0.4 C#CCOCCSCC a29fc9ef5965efb64b51b39cd1c894a4 [1,0,0,0,0,0|1,0,2]=4 737 B8R0.4 C/C=C/CCCOCC 29e30394c7c806aedb2c26dcf7eb5a9a [1,0,0,0,0,0|1,0,2]=4 738 B8R0.4 C/C=C/CCOCCC f366940c9b8e42845e1a3a54e7e58d66 [1,0,0,0,0,0|0,0,2]=3 739 B8R0.4 C/C=C/CCOCCF 1c459844ed5e19e9affe0f4ec9396afe [1,0,0,0,0,0|1,0,2]=4 740 B8R0.4 C/C=C/CCOCCS e0f8b3598541264c88a5709e56116110 [1,0,0,0,0,0|1,0,2]=4 741 B8R0.4 C/C=C/CCOCOC 59f8f29dcf4eaa8fa9da1c5f14e4e383 [1,0,0,0,0,0|1,0,2]=4 742 B8R0.4 C/C=C/CCOCSC 6a0ae094543a86afd6da523cd0f1869d [1,0,0,0,0,0|1,0,2]=4 743 B8R0.4 C/C=C/CNCCCC ce13f55ef8680a347af127fe05187ac2 [1,0,0,0,0,0|1,0,2]=4 744 B8R0.4 C/C=C/COCCCC 386b5fceec7ebb1bc8f3283962203eeb [1,0,0,0,0,0|0,0,2]=3 745 B8R0.4 C/C=C/COCCCF e8b66bfe85d6e28ae035ab00fcee9995 [1,0,0,0,0,0|1,0,2]=4 746 B8R0.4 C/C=C/COCCCS a0fc1de5b11f9d0613f0ee9c6305a110 [1,0,0,0,0,0|1,0,2]=4 747 B8R0.4 C/C=C/COCCOC 785eaeded120e80d80ee7e223c0ae30a [1,0,0,0,0,0|1,0,2]=4 748 B8R0.4 C/C=C/COCCSC 0e33f377959f752365d583ff90505be8 [1,0,0,0,0,0|1,0,2]=4 749 B8R0.4 C/C=C/COCOCC 83fafc5a971bddf153afd7782635012a [1,0,0,0,0,0|1,0,2]=4 750 B8R0.4 C/C=C\CCCOCC 4d6755ca0163dc89f5ab91481d285f2d [1,0,0,0,0,0|1,0,2]=4 751 B8R0.4 C/C=C\CNCCCC b9e7ddbf697616b15bea928cc6394f2f [1,0,0,0,0,0|1,0,2]=4 752 B8R0.4 C/C=C\COCCCC c8285cb0cc053e0461398a5e6fb02665 [1,0,0,0,0,0|0,0,2]=3 753 B8R0.4 C/C=C\COCCCF bd16a5f69481739098b25c0b9e7951a1 [1,0,0,0,0,0|1,0,2]=4 754 B8R0.4 C/C=C\COCCCS e488e71b73205058cac2a8d332fe154b [1,0,0,0,0,0|1,0,2]=4 755 B8R0.4 C/C=C\COCCOC 46e2d312cf2f14a6c2819161b290e14d [1,0,0,0,0,0|1,0,2]=4 756 B8R0.4 C/C=C\COCCSC 56999da5f26ee69516587b92c53efdf2 [1,0,0,0,0,0|1,0,2]=4 757 B8R0.4 C/C=C\COCOCC 8821190837d805b84bead9ce40320be3 [1,0,0,0,0,0|1,0,2]=4 758 B8R0.4 C=C=CCCOCCC 9ed5c65e92b9c5d3410261fc24bf2400 [1,0,0,0,0,0|0,0,3]=4 759 B8R0.4 C=CCCCCNCC cad9e93d76afc8b0fa381258c4e7ac39 [1,0,0,0,0,0|1,0,2]=4 760 B8R0.4 C=CCCCCOCC 60183f731400a1b7f9d49b3e8c9e971a [1,0,0,0,0,0|1,0,2]=4 761 B8R0.4 C=CCCCNCCC ed9f94bd82f276e8a415d35039c9b633 [1,0,0,0,0,0|1,0,2]=4 762 B8R0.4 C=CCCCOCCC 5f646296a8d9f451f6f7524888b9f8ed [1,0,0,0,0,0|0,0,2]=3 763 B8R0.4 C=CCCCOCCF 053da209f8e2fcf3d41519ae567dccd2 [1,0,0,0,0,0|1,0,2]=4 764 B8R0.4 C=CCCCOCCS 230273a3bde125da52158385e7b68364 [1,0,0,0,0,0|1,0,2]=4 765 B8R0.4 C=CCCCOCOC 1dd3d998493040ba8df98fd517ea651d [1,0,0,0,0,0|1,0,2]=4 766 B8R0.4 C=CCCCOCSC 7dc13b8df2da34a1b6ef8defe10e2334 [1,0,0,0,0,0|1,0,2]=4 767 B8R0.4 C=CCCNCCCC bba294da38688174bb39fbd588941b97 [1,0,0,0,0,0|1,0,2]=4 768 B8R0.4 C=CCCOCCCC 97ba8da216ed199156e3ec05890dcca1 [1,0,0,0,0,0|0,0,2]=3 769 B8R0.4 C=CCCOCCCF 3fad1ee7845cd193dab2bfc519ad2d31 [1,0,0,0,0,0|1,0,2]=4 770 B8R0.4 C=CCCOCCCS 40f27123e6e7a95472850525bbd82a49 [1,0,0,0,0,0|1,0,2]=4 771 B8R0.4 C=CCCOCCOC 022351562bd5b75ccdae2ce8a7420e05 [1,0,0,0,0,0|1,0,2]=4 772 B8R0.4 C=CCCOCCSC e83f2d78c318b4d5cdd4b25f8f4a6571 [1,0,0,0,0,0|1,0,2]=4 773 B8R0.4 C=CCCOCOCC b8653c6722f9d17f50ddc249f7a52472 [1,0,0,0,0,0|1,0,2]=4 774 B8R0.4 C=CCNCCCCC 011aacf19cd9f1faf70789f3f05aca79 [1,0,0,0,0,0|1,0,2]=4 775 B8R0.4 C=CCOCCCCC fcddc90e6084facec8d1d12eaaa08ee7 [1,0,0,0,0,0|0,0,2]=3 776 B8R0.4 C=CCOCCCCF 3ed7f37d0c490b735d4b7f46fe9299e9 [1,0,0,0,0,0|1,0,2]=4 777 B8R0.4 C=CCOCCCCS 5ee463a1daba4f9e9a9624695a91cccc [1,0,0,0,0,0|1,0,2]=4 778 B8R0.4 C=CCOCCCOC 6cdd1cb4e7f2bc1ad50092d2e92d5ed9 [1,0,0,0,0,0|1,0,2]=4 779 B8R0.4 C=CCOCCCSC 5081ad9926844b88206c1580515c6c03 [1,0,0,0,0,0|1,0,2]=4 780 B8R0.4 C=CCOCCOCC f2504b53763d9ba810aab3f8ab9269df [1,0,0,0,0,0|1,0,2]=4 781 B8R0.4 C=CCOCCSCC 4edb0350a839460b0e73853c19953683 [1,0,0,0,0,0|1,0,2]=4 782 B8R0.4 C=COCCOCCC d3d0232a519269e090de053aa19caca6 [1,0,0,0,0,0|1,0,2]=4 783 B8R0.4 CC#CCCCOCC 05ec48180aea60ed674503bef15a5f38 [1,0,0,0,0,0|1,0,2]=4 784 B8R0.4 CC#CCCOCCC 387cb960b2fced33dd26ab6a4fb5ee8c [1,0,0,0,0,0|0,0,2]=3 785 B8R0.4 CC#CCCOCCF 52e5cd47e03dfbc66a39c899899d8e30 [1,0,0,0,0,0|1,0,2]=4 786 B8R0.4 CC#CCCOCCS 4cf8bba0fcd3046d820f2419963771c0 [1,0,0,0,0,0|1,0,2]=4 787 B8R0.4 CC#CCCOCOC 2fafef77642fc7756947cbc16368bb4d [1,0,0,0,0,0|1,0,2]=4 788 B8R0.4 CC#CCCOCSC 80b74f8165d1731d8886dd6019bd5d5a [1,0,0,0,0,0|1,0,2]=4 789 B8R0.4 CC#CCNCCCC 92172ffefbb6c9e292f504492bf5dd32 [1,0,0,0,0,0|1,0,2]=4 790 B8R0.4 CC#CCOCCCC 7f94de9642ccae29ed5e6282618d3bd1 [1,0,0,0,0,0|0,0,2]=3 791 B8R0.4 CC#CCOCCCF 66740b3f5a5c5bbda9149f08d2d363f4 [1,0,0,0,0,0|1,0,2]=4 792 B8R0.4 CC#CCOCCCS 9c7b28b6a7561f1c7d649b8a67b7c2da [1,0,0,0,0,0|1,0,2]=4 793 B8R0.4 CC#CCOCCOC 55d9b367dd7e839d8e76e87c05504b58 [1,0,0,0,0,0|1,0,2]=4 794 B8R0.4 CC#CCOCCSC 54026a423507e76e264159ea1eeff91a [1,0,0,0,0,0|1,0,2]=4 795 B8R0.4 CC#CCOCOCC c50aac4faec7cece8d53434c2d9faf93 [1,0,0,0,0,0|1,0,2]=4 796 B8R0.4 CC/C=C/CCOCC 4aff7b2c30c18c7ed71e09741dd9cd03 [1,0,0,0,0,0|1,0,2]=4 797 B8R0.4 CC/C=C/CNCCC 7b76f5221e9f8d321a930b2cc78f0465 [1,0,0,0,0,0|1,0,2]=4 798 B8R0.4 CC/C=C/COCCC 7c99577e2748989634a614f6f829f70a [1,0,0,0,0,0|0,0,2]=3 799 B8R0.4 CC/C=C/COCCF 2a8967892fd524c5820478ef10bcc725 [1,0,0,0,0,0|1,0,2]=4 800 B8R0.4 CC/C=C/COCCS d6ad362599078ed5bc582011934d083a [1,0,0,0,0,0|1,0,2]=4 801 B8R0.4 CC/C=C/COCOC 3dfee6432437086c29231f9b1b3a76a8 [1,0,0,0,0,0|1,0,2]=4 802 B8R0.4 CC/C=C/COCSC 1086159b9849e85be4ddfca4b46797cc [1,0,0,0,0,0|1,0,2]=4 803 B8R0.4 CC/C=C\CCOCC a415407c2a3f74060244fd9fe72f26f2 [1,0,0,0,0,0|1,0,2]=4 804 B8R0.4 CC/C=C\COCCC bfdbd41336075fd3cb4c9e9e3471925b [1,0,0,0,0,0|0,0,2]=3 805 B8R0.4 CC/C=C\COCCF 2b38e120135402cc20ee9ae0b698961a [1,0,0,0,0,0|1,0,2]=4 806 B8R0.4 CC/C=C\COCCS 811a9bd602c4f49de9eadd9afc91808f [1,0,0,0,0,0|1,0,2]=4 807 B8R0.4 CC/C=C\COCOC 2a89ae2104c37be23e4faf0d1930f1ff [1,0,0,0,0,0|1,0,2]=4 808 B8R0.4 CC/C=C\COCSC 912dba6b883a281f0d068064002183ce [1,0,0,0,0,0|1,0,2]=4 809 B8R0.4 CC=CCCCOCC 5c3740efae5691bcaf9a76740bada28e [1,0,0,0,0,0|1,0,2]=4 810 B8R0.4 CC=CCNCCCC 6c09d356389ec0afd4d9be0c8efbc370 [1,0,0,0,0,0|1,0,2]=4 811 B8R0.4 CC=CCOCCCC 071b2f24d4974b0b4fcd0a0845303916 [1,0,0,0,0,0|0,0,2]=3 812 B8R0.4 CC=CCOCCCF 51c4241747d1b03bd1ba385ed0abcd34 [1,0,0,0,0,0|1,0,2]=4 813 B8R0.4 CC=CCOCCCS 9af21dfd25baf7f30dbe6942aafa9961 [1,0,0,0,0,0|1,0,2]=4 814 B8R0.4 CC=CCOCCOC 8cd561eb1f10485c2b1ba8f850cffd6a [1,0,0,0,0,0|1,0,2]=4 815 B8R0.4 CC=CCOCCSC 2614ef02e181335c400b64f125bf5a8f [1,0,0,0,0,0|1,0,2]=4 816 B8R0.4 CC=CCOCOCC c8fa9800ff7a3ee66628e2aa963defd9 [1,0,0,0,0,0|1,0,2]=4 817 B8R0.4 CCC#CCCOCC 4cce7b24b6fbc922deb63899ac441019 [1,0,0,0,0,0|1,0,2]=4 818 B8R0.4 CCC#CCNCCC 508bd01b11d11ed82c7053cb3af1a986 [1,0,0,0,0,0|1,0,2]=4 819 B8R0.4 CCC#CCOCCC 4e180024a47b40b4debdbd4f1d487e6a [1,0,0,0,0,0|0,0,2]=3 820 B8R0.4 CCC#CCOCCF fa12a3cda1757850fe8b8814e4252c73 [1,0,0,0,0,0|1,0,2]=4 821 B8R0.4 CCC#CCOCCS 2566dcb10f89a176a755c9881ab912eb [1,0,0,0,0,0|1,0,2]=4 822 B8R0.4 CCC#CCOCOC bd0f991f06ad8ff7ce35aa473b8a6860 [1,0,0,0,0,0|1,0,2]=4 823 B8R0.4 CCC#CCOCSC 57e6e566d9289fb60b2bd043f3fdc016 [1,0,0,0,0,0|1,0,2]=4 824 B8R0.4 CCC/C=C/COCC 194c2fe9a034aa9429bf8b431746f7e5 [1,0,0,0,0,0|1,0,2]=4 825 B8R0.4 CCC/C=C\COCC 6a1508b69f1117002ddef7a5ce847c5e [1,0,0,0,0,0|1,0,2]=4 826 B8R0.4 CCCC#CCOCC 67d8c0a8a90da169e4506ec702d90d64 [1,0,0,0,0,0|1,0,2]=4 827 B8R0.4 CCCCCCNC#N bb02e52ec524ebcb56f04e4bf9b34243 [1,0,0,0,0,0|2,0,1]=4 828 B8R0.4 CCCCCCNC=O e5c1cbb738d0eb89b1d21f4508106baa [1,0,0,0,0,0|2,0,1]=4 829 B8R0.4 CCCCCCNCC 007e02c518c21b960782cd7d67a6f9d7 [1,0,0,0,0,0|1,0,0]=2 830 B8R0.4 CCCCCCNCF fcc33172a41ee2d3e601afc70a912863 [1,0,0,0,0,0|2,0,0]=3 831 B8R0.4 CCCCCCNCO fee4d07ce0e7c74e0c9bf65bf9405250 [1,0,0,0,0,0|2,0,0]=3 832 B8R0.4 CCCCCCOCC 9345e14939c0037a8cd7124fa95af69b [1,0,0,0,0,0|1,0,0]=2 833 B8R0.4 CCCCCCOCF 5545a0a4abb65fe9a326f72bb8454219 [1,0,0,0,0,0|2,0,0]=3 834 B8R0.4 CCCCCNCC#N 0c9f40f537b6e3cc81cf454315cbd283 [1,0,0,0,0,0|2,0,1]=4 835 B8R0.4 CCCCCNCC=O 8ada82f0f40b5a52493af2d9d7bdb07d [1,0,0,0,0,0|2,0,1]=4 836 B8R0.4 CCCCCNCCBr 089f5434d612eac8e3264fb2af68de09 [1,0,0,0,0,0|2,0,0]=3 837 B8R0.4 CCCCCNCCC e1899f21e9e3263889e806dca2898495 [1,0,0,0,0,0|1,0,0]=2 838 B8R0.4 CCCCCNCCF 08736e9d031b962149008af4dbbae1ec [1,0,0,0,0,0|2,0,0]=3 839 B8R0.4 CCCCCNCCI 451535c8d9a592fc4903d9a80bb5e070 [1,0,0,0,0,0|2,0,0]=3 840 B8R0.4 CCCCCNCCO f9b71f37f65a5dd4fd3f51e1e821c5a0 [1,0,0,0,0,0|2,0,0]=3 841 B8R0.4 CCCCCNCCS 8d24f5c417bfd50b34a0c81d07c624ad [1,0,0,0,0,0|2,0,0]=3 842 B8R0.4 CCCCCNCOC 39758a02c0fddd5394c0093195bca6be [1,0,0,0,0,0|2,0,0]=3 843 B8R0.4 CCCCCNCSC a12f2c65341920caab6c80b675bb648f [1,0,0,0,0,0|2,0,0]=3 844 B8R0.4 CCCCCOCC#N 000a9d63180c20d434c83376e668a582 [1,0,0,0,0,0|1,0,1]=3 845 B8R0.4 CCCCCOCC=O 95ddace22ad0ae385e1b30e1a33c697f [1,0,0,0,0,0|1,0,1]=3 846 B8R0.4 CCCCCOCCC c08adbc8512009f4d669d9cfc0c3fe67 [1,0,0,0,0,0|0,0,0]=1 847 B8R0.4 CCCCCOCCF b565148eef0c482ff0e6a7dc3e323e46 [1,0,0,0,0,0|1,0,0]=2 848 B8R0.4 CCCCCOCCS c4cd0a419631483dc8c725004b7f7323 [1,0,0,0,0,0|1,0,0]=2 849 B8R0.4 CCCCCOCOC b5b3100512c55f3430f83e20b695c569 [1,0,0,0,0,0|1,0,0]=2 850 B8R0.4 CCCCCOCSC a7f8dc7f97f2742c2c3f78a6bcb15d4b [1,0,0,0,0,0|1,0,0]=2 851 B8R0.4 CCCCNCCC#N 21edaa6d14ae0b8b41d896f5ebbcc463 [1,0,0,0,0,0|2,0,1]=4 852 B8R0.4 CCCCNCCC=O cc5d699181445c3bad4f64b752b1821b [1,0,0,0,0,0|2,0,1]=4 853 B8R0.4 CCCCNCCCC 83f5cde9216aaf13647a8beda79dab35 [1,0,0,0,0,0|1,0,0]=2 854 B8R0.4 CCCCNCCCCl 0f00c3c3f44f250cab48b92e5412d8a7 [1,0,0,0,0,0|2,0,0]=3 855 B8R0.4 CCCCNCCCF c8a2e79bdb0d1cc8343903c43e081085 [1,0,0,0,0,0|2,0,0]=3 856 B8R0.4 CCCCNCCCO 49b3fdf08e01f17758987c7a7e8bba30 [1,0,0,0,0,0|2,0,0]=3 857 B8R0.4 CCCCNCCCS ebec18e8f39c6ffc0f0fe747a0704631 [1,0,0,0,0,0|2,0,0]=3 858 B8R0.4 CCCCNCCOC e55b55af56c3c637798ec9c85f7b8020 [1,0,0,0,0,0|2,0,0]=3 859 B8R0.4 CCCCNCCON dd65b96d468031dc7885056626818eac [1,0,0,0,0,0|3,0,0]=4 860 B8R0.4 CCCCNCCSC 59b636301e9a63ee9269f9fefc2f0cbb [1,0,0,0,0,0|2,0,0]=3 861 B8R0.4 CCCCNCOCC 6270590fe71f8e7cfb7887c503e7cb19 [1,0,0,0,0,0|2,0,0]=3 862 B8R0.4 CCCCOC/C=C/Cl 568b090b21b75e4cb48d2918836f8eba [1,0,0,0,0,0|1,0,2]=4 863 B8R0.4 CCCCOC/C=C\Cl 9d90a4fa764ef1d03091eed959904ce8 [1,0,0,0,0,0|1,0,2]=4 864 B8R0.4 CCCCOCC#CI de4efa528daa8422c1ae39c8b0defeb9 [1,0,0,0,0,0|1,0,2]=4 865 B8R0.4 CCCCOCC=CCl 0f3a0d8674fc69f02691e3930c83fca6 [1,0,0,0,0,0|1,0,2]=4 866 B8R0.4 CCCCOCCC#N d96485889b3a21063dcc51f113b3be83 [1,0,0,0,0,0|1,0,1]=3 867 B8R0.4 CCCCOCCC=O 72658ceb532935f03c9214743d27894e [1,0,0,0,0,0|1,0,1]=3 868 B8R0.4 CCCCOCCCC a5b0ef99667fb81b30d5c592594cbe40 [1,0,0,0,0,0|0,0,0]=1 869 B8R0.4 CCCCOCCCF 45b018660e48781496e6d186d7b4c5cd [1,0,0,0,0,0|1,0,0]=2 870 B8R0.4 CCCCOCCCS 0d2d1055462c2504dc523af75dd3766f [1,0,0,0,0,0|1,0,0]=2 871 B8R0.4 CCCCOCCOC 6735cacff3b7f7ef1ac59b3af2d64f94 [1,0,0,0,0,0|1,0,0]=2 872 B8R0.4 CCCCOCCSC 7ffec2766bbf61d3fb8039a26d074049 [1,0,0,0,0,0|1,0,0]=2 873 B8R0.4 CCCCOCNC#N 7d8640c8f1ae7154115955640afd3895 [1,0,0,0,0,0|2,0,1]=4 874 B8R0.4 CCCCOCOCC cfd273cfcd393094625c8ef6899069be [1,0,0,0,0,0|1,0,0]=2 875 B8R0.4 CCCCOCSC#N 9c7075f55dbeb3f0f43910abd503e0d9 [1,0,0,0,0,0|2,0,1]=4 876 B8R0.4 CCCNCCCC#N 0e4bb5c930d4405af9112d69df156b92 [1,0,0,0,0,0|2,0,1]=4 877 B8R0.4 CCCNCCCC=O 7ef3dd3b1a5b87258ceb3eef303de84a [1,0,0,0,0,0|2,0,1]=4 878 B8R0.4 CCCNCCCCCl 86d3fabc966fee554ec309bcdb6a6f42 [1,0,0,0,0,0|2,0,0]=3 879 B8R0.4 CCCNCCCCF f801e13fe9947adffb3521a5945c4de9 [1,0,0,0,0,0|2,0,0]=3 880 B8R0.4 CCCNCCCCO 101d8adf768a1371279ab06c67e1a854 [1,0,0,0,0,0|2,0,0]=3 881 B8R0.4 CCCNCCCCS e81cbea71a1d34af60d6fe3b38b1645e [1,0,0,0,0,0|2,0,0]=3 882 B8R0.4 CCCNCCCOC 97e272a50a3dc43fab42b265af642693 [1,0,0,0,0,0|2,0,0]=3 883 B8R0.4 CCCNCCCSC a1fb4fe81d031e7dcffdf0d0cda484e8 [1,0,0,0,0,0|2,0,0]=3 884 B8R0.4 CCCNCCOCC 788b5a303fd5463369b362f7c1e82c05 [1,0,0,0,0,0|2,0,0]=3 885 B8R0.4 CCCNCCSCC 145c32b87daf4b90eafd0f3078816379 [1,0,0,0,0,0|2,0,0]=3 886 B8R0.4 CCCOCCCC#N b3a2f594f5ca80ef3759bc59478543ea [1,0,0,0,0,0|1,0,1]=3 887 B8R0.4 CCCOCCCC=O 36a3d4a82e0ed496435ff747ce5facc5 [1,0,0,0,0,0|1,0,1]=3 888 B8R0.4 CCCOCCCCF 4b4695bfbe072018bc890c8e6fdbfb83 [1,0,0,0,0,0|1,0,0]=2 889 B8R0.4 CCCOCCCCS 0885ae66405cbad0900445dfe2d6de97 [1,0,0,0,0,0|1,0,0]=2 890 B8R0.4 CCCOCCCOC 8f84ed15eeef50c54bbb8786899dacf1 [1,0,0,0,0,0|1,0,0]=2 891 B8R0.4 CCCOCCCSC 8c60126d0675ea04220b398e82d839b9 [1,0,0,0,0,0|1,0,0]=2 892 B8R0.4 CCCOCCNC#N 7c9db8b809fab9f35251db16db3e5fe8 [1,0,0,0,0,0|2,0,1]=4 893 B8R0.4 CCCOCCNC=O 698de65c018187ef4a1695deaa4ff61b [1,0,0,0,0,0|2,0,1]=4 894 B8R0.4 CCCOCCNCC 3ad8014459df89d50716c0dd5d41fb69 [1,0,0,0,0,0|1,0,0]=2 895 B8R0.4 CCCOCCNCF a9319f07478697381a5dccdb718d2320 [1,0,0,0,0,0|2,0,0]=3 896 B8R0.4 CCCOCCNCO 8595bcbbbf5fd075137f627b7ec6b8b8 [1,0,0,0,0,0|2,0,0]=3 897 B8R0.4 CCCOCCOC=O 55073fa6df391382112376726b3f158f [1,0,0,0,0,0|2,0,1]=4 898 B8R0.4 CCCOCCOCC 329b2bcd6f865f8651c78dbc452ecac4 [1,0,0,0,0,0|1,0,0]=2 899 B8R0.4 CCCOCCOCF 6893c8c2de2661d9cf2e52b0c6eaabcf [1,0,0,0,0,0|2,0,0]=3 900 B8R0.4 CCCOCCSCC 64da344c31f9c5888d0de5ce68aa3904 [1,0,0,0,0,0|1,0,0]=2 901 B8R0.4 CCCSCCOCC c76e8fe318a52d32927def1b7ebdffa7 [1,0,0,0,0,0|1,1,0]=3 902 B8R0.4 CCCSCCOCF 720d0236377e6144f736cd0f4037f880 [1,0,0,0,0,0|2,1,0]=4 903 B8R0.4 CCNCCCCC#N 9e15e29ecbde2ec66e303cda1d143969 [1,0,0,0,0,0|2,0,1]=4 904 B8R0.4 CCNCCCCCCl d0609d1c7cda7ae2e8395ed8f09a6278 [1,0,0,0,0,0|2,0,0]=3 905 B8R0.4 CCNCCCCCO d908c3b79a6fe3de0920b09f17e57911 [1,0,0,0,0,0|2,0,0]=3 906 B8R0.4 CCNCCCCOC 2651322fa047b3732accc75cc3da11da [1,0,0,0,0,0|2,0,0]=3 907 B8R0.4 CCNCCCCSC 49c922b465a04d36e231bfa2a39a115f [1,0,0,0,0,0|2,0,0]=3 908 B8R0.4 CCNCCCOCC f2ffbe155d0d4a2462785a082836f9b5 [1,0,0,0,0,0|2,0,0]=3 909 B8R0.4 CCNCCOCCO ab40f68d3f552d1a5970b56d1caa576b [1,0,0,0,0,0|2,0,0]=3 910 B8R0.4 CCNCCOCCS c3388bd6ae086c9b8dbf3a86d3508eb7 [1,0,0,0,0,0|2,0,0]=3 911 B8R0.4 CCNCCSCCO 0756ee7e2e7cb3b848634875dd09b614 [1,0,0,0,0,0|2,1,0]=4 912 B8R0.4 CCOCCCCC#N a89281f5bb95502482baedf76edf677f [1,0,0,0,0,0|2,0,1]=4 913 B8R0.4 CCOCCCCC=O d263cb2a99b9780b9b3058ad6e318449 [1,0,0,0,0,0|2,0,1]=4 914 B8R0.4 CCOCCCCOC 884278e30d78a09f4fe2f7feb30d0d3f [1,0,0,0,0,0|2,0,0]=3 915 B8R0.4 CCOCCCCSC c32f6fe4365f04c7fe23f7790fb72a1b [1,0,0,0,0,0|2,0,0]=3 916 B8R0.4 CCOCCCNCF c6a11378b9c44a817d79d2cae799cfcb [1,0,0,0,0,0|3,0,0]=4 917 B8R0.4 CCOCCCNCO bfe6253cc19f5ad9b4c9906398627a21 [1,0,0,0,0,0|3,0,0]=4 918 B8R0.4 CCOCCCOCC 1ce53fcb477dcf09005ceecf2916bb17 [1,0,0,0,0,0|2,0,0]=3 919 B8R0.4 CCOCCCOCF 2c2cf6b3b3dd51f869cf61ba85e465ae [1,0,0,0,0,0|3,0,0]=4 920 B8R0.4 CCOCCCSCC 93ac6b931fc33d114d8490d7cf350c9c [1,0,0,0,0,0|2,0,0]=3 921 B8R0.4 CCOCCNCCBr 24d90c4b8e1e41e3d5a0a74399711bae [1,0,0,0,0,0|3,0,0]=4 922 B8R0.4 CCOCCNCCF 0faef7540a48aa944230e6a301e4788b [1,0,0,0,0,0|3,0,0]=4 923 B8R0.4 CCOCCNCCI f65e8675fe2e8893dceda2bbe3a9ec63 [1,0,0,0,0,0|3,0,0]=4 924 B8R0.4 CCOCCNCCO d1a45d737dc86da6f39330718d51704a [1,0,0,0,0,0|3,0,0]=4 925 B8R0.4 CCOCCNCCS ae3728d23412f412d31284f71a900d8b [1,0,0,0,0,0|3,0,0]=4 926 B8R0.4 CCOCCNCOC e16f65f06bc2b99b3d907b4d797a61e8 [1,0,0,0,0,0|3,0,0]=4 927 B8R0.4 CCOCCNCSC faf7d87d17bed0e69a82a0518e7badde [1,0,0,0,0,0|3,0,0]=4 928 B8R0.4 CCOCCOCC#N ffcdb54cd53f3f62d45c591bf468ded5 [1,0,0,0,0,0|2,0,1]=4 929 B8R0.4 CCOCCOCC=O 0f0b31cfd13d5d1ef62013c36758792f [1,0,0,0,0,0|2,0,1]=4 930 B8R0.4 CCOCCOCCF de5dbf96542777ab66f236cc8c494a50 [1,0,0,0,0,0|2,0,0]=3 931 B8R0.4 CCOCCOCCS 5aba6681f29eaa409e556a8d2831c051 [1,0,0,0,0,0|2,0,0]=3 932 B8R0.4 CCOCCOCOC e6334ba77bd51e3629560bf63da6c369 [1,0,0,0,0,0|2,0,0]=3 933 B8R0.4 CCOCCOCSC 7ad27a18099c3a18c7e8e4cf515a46f8 [1,0,0,0,0,0|2,0,0]=3 934 B8R0.4 CCOCNCCCCl 1846db9f15f7a8a85185f6bc4bad5303 [1,0,0,0,0,0|3,0,0]=4 935 B8R0.4 CCOCNCCCO 23eae121855a8a5e5052222178789d02 [1,0,0,0,0,0|3,0,0]=4 936 B8R0.4 CCOCNCCOC 37def935720b65fc87e703710aa404ee [1,0,0,0,0,0|3,0,0]=4 937 B8R0.4 CCOCNCCSC 509d8fa68985dc90690e2d13fc7300ad [1,0,0,0,0,0|3,0,0]=4 938 B8R0.4 CCOCOCCC#N 59aa23affa9d2d1c5cfb3a42296fb54a [1,0,0,0,0,0|2,0,1]=4 939 B8R0.4 CCOCOCCC=O 00ff08f097e74805397d4946d664ecfe [1,0,0,0,0,0|2,0,1]=4 940 B8R0.4 CCOCOCCCF 46d1dba63f6b597718627da78c4b8925 [1,0,0,0,0,0|2,0,0]=3 941 B8R0.4 CCOCOCCCS 1394d614946e314ee48b201c438f266a [1,0,0,0,0,0|2,0,0]=3 942 B8R0.4 CCOCOCCOC c7e233af0a5763c1e2ec98e8a015fd4e [1,0,0,0,0,0|2,0,0]=3 943 B8R0.4 CCOCOCCSC 3f3114cecfa98dec8bb03a76fc9713ef [1,0,0,0,0,0|2,0,0]=3 944 B8R0.4 CCSCCCOCF d72522531acf839532bc264a9c459c9f [1,0,0,0,0,0|3,0,0]=4 945 B8R0.4 CCSCCNCCBr 18b371a3486fd29f983a244b8bfde3ea [1,0,0,0,0,0|3,0,0]=4 946 B8R0.4 CCSCCNCCF 9d56908f4347d09f35dac4f68fcb0a75 [1,0,0,0,0,0|3,0,0]=4 947 B8R0.4 CCSCCNCCI c3abc0a1de4318bb31881bc9af37ddb1 [1,0,0,0,0,0|3,0,0]=4 948 B8R0.4 CCSCCNCCO 705a322c53733f80608fa2aca65490a0 [1,0,0,0,0,0|3,0,0]=4 949 B8R0.4 CCSCCNCCS d51bc62ea90e48fddf90b4539df61591 [1,0,0,0,0,0|3,0,0]=4 950 B8R0.4 CCSCCNCOC 51de30eb255acd65d33bfe9e93bc9f54 [1,0,0,0,0,0|3,0,0]=4 951 B8R0.4 CCSCCNCSC b0c46754255ec2c693a9e6adb052bc76 [1,0,0,0,0,0|3,0,0]=4 952 B8R0.4 CCSCCOCC#N 043c2069d87b0e87ef3782e40a36920e [1,0,0,0,0,0|2,0,1]=4 953 B8R0.4 CCSCCOCC=O 6eeca61611fda4d213ea1a5d8f547156 [1,0,0,0,0,0|2,0,1]=4 954 B8R0.4 CCSCCOCCF 3152acc3bf34398cc3029a904de2d9cf [1,0,0,0,0,0|2,0,0]=3 955 B8R0.4 CCSCCOCCS b961b22c97ebb3dca7d6d173dec4f531 [1,0,0,0,0,0|2,0,0]=3 956 B8R0.4 CCSCCOCOC 82ae2d32858c1bccbdb00354afa21801 [1,0,0,0,0,0|2,0,0]=3 957 B8R0.4 CCSCCOCSC c28324caa69bb59277d280a61ae231b9 [1,0,0,0,0,0|2,0,0]=3 958 B8R0.4 COCCCCNCF 02b595b8665bf6ad2985079f7ac0aeb1 [1,0,0,0,0,0|3,0,0]=4 959 B8R0.4 COCCCCNCO 51786f99381d54403ea46d9383ba40cc [1,0,0,0,0,0|3,0,0]=4 960 B8R0.4 COCCCCOCF e815a6c287695e1a636002d6644f305e [1,0,0,0,0,0|3,0,0]=4 961 B8R0.4 COCCCNCCBr 5aa78c798a841e80d82d9e60431330c0 [1,0,0,0,0,0|3,0,0]=4 962 B8R0.4 COCCCNCCF 041e6994048488d22c955ac776af010f [1,0,0,0,0,0|3,0,0]=4 963 B8R0.4 COCCCNCCI 0186411caa2b9183db8f4098d308fa17 [1,0,0,0,0,0|3,0,0]=4 964 B8R0.4 COCCCNCCO b882d8685487a56fc2c12e34e8e227c1 [1,0,0,0,0,0|3,0,0]=4 965 B8R0.4 COCCCNCCS 256755def3a3944e6faf39ebe1680a8e [1,0,0,0,0,0|3,0,0]=4 966 B8R0.4 COCCCNCOC 1f1875caa8620256569e5f1ae787d042 [1,0,0,0,0,0|3,0,0]=4 967 B8R0.4 COCCCNCSC 34103b32fb2b435f93bb60eae590bae7 [1,0,0,0,0,0|3,0,0]=4 968 B8R0.4 COCCCOCC#N c35b3ae55d827aab3d6100ded7bddf6e [1,0,0,0,0,0|2,0,1]=4 969 B8R0.4 COCCCOCC=O 0c2e972178898bc6d1628b2f4858b03c [1,0,0,0,0,0|2,0,1]=4 970 B8R0.4 COCCCOCCF 4ffb019798fea01253e3983e39a3b217 [1,0,0,0,0,0|2,0,0]=3 971 B8R0.4 COCCCOCCS 034151073721ed7fced30d5c7d96809d [1,0,0,0,0,0|2,0,0]=3 972 B8R0.4 COCCCOCOC 92047848dd3f717a8d9bb57dfbd960e0 [1,0,0,0,0,0|2,0,0]=3 973 B8R0.4 COCCCOCSC 2202eb2dedd91ff1a10fe1f6f7568624 [1,0,0,0,0,0|2,0,0]=3 974 B8R0.4 COCCNCCCCl 8ba52790533836faa6d427a3a5bb4ad8 [1,0,0,0,0,0|3,0,0]=4 975 B8R0.4 COCCNCCCF 850fc0a7b5ae0b2e275a1a55ec529615 [1,0,0,0,0,0|3,0,0]=4 976 B8R0.4 COCCNCCCO f3bbaa1e3688613cc916b70ff8bfcc57 [1,0,0,0,0,0|3,0,0]=4 977 B8R0.4 COCCNCCCS be316613b399b4ebb219164243e1782e [1,0,0,0,0,0|3,0,0]=4 978 B8R0.4 COCCNCCOC 7f69cc5c3d87f83720e2be24902d0af0 [1,0,0,0,0,0|3,0,0]=4 979 B8R0.4 COCCNCCSC 7d0bd0eb01a04e8d98cec69926dd8601 [1,0,0,0,0,0|3,0,0]=4 980 B8R0.4 COCCOCCC#N a4844b9487eb0ea1ec50ff13a58eb0d7 [1,0,0,0,0,0|2,0,1]=4 981 B8R0.4 COCCOCCC=O 2cddfa1660d37f7f1ab97a7bd88a1df8 [1,0,0,0,0,0|2,0,1]=4 982 B8R0.4 COCCOCCCF 651595a2ed17cf2d5400c65132f59bbb [1,0,0,0,0,0|2,0,0]=3 983 B8R0.4 COCCOCCCS 7f30d2700702c5fb0d3765382f49053b [1,0,0,0,0,0|2,0,0]=3 984 B8R0.4 COCCOCCOC b3f4861d575f20a0b2a5fdeb65250e49 [1,0,0,0,0,0|2,0,0]=3 985 B8R0.4 COCCOCCSC 2ea3de8cee6b9690728878a6623f0d14 [1,0,0,0,0,0|2,0,0]=3 986 B8R0.4 COCNCCCCCl d47b66156d6f192dfb73b80cd35af2c2 [1,0,0,0,0,0|3,0,0]=4 987 B8R0.4 COCNCCCCO ca8efaa5098c48b237959f5a1a115e02 [1,0,0,0,0,0|3,0,0]=4 988 B8R0.4 COCNCCCCS a2c1ef24130e97b681aa9ad1afee8274 [1,0,0,0,0,0|3,0,0]=4 989 B8R0.4 COCNCCCSC dd08c33d09a480e39d47befa4ecf03be [1,0,0,0,0,0|3,0,0]=4 990 B8R0.4 COCOCCCC#N a7262b670e7dbcbdbd1c28ecab6c39f1 [1,0,0,0,0,0|2,0,1]=4 991 B8R0.4 COCOCCCC=O 684e0671f7887e8ada626a3c87e02a67 [1,0,0,0,0,0|2,0,1]=4 992 B8R0.4 COCOCCCCF 439027e7cee7c83bc2a5d7479ed3ff0e [1,0,0,0,0,0|2,0,0]=3 993 B8R0.4 COCOCCCCS 6711c3ede78b89314526970b63403a62 [1,0,0,0,0,0|2,0,0]=3 994 B8R0.4 COCOCCCSC 06d84955d844cdd7598946b8ec70b891 [1,0,0,0,0,0|2,0,0]=3 995 B8R0.4 CSCCCCNCF 4c4e5a07a28e7083039da3f830ae7f8b [1,0,0,0,0,0|3,0,0]=4 996 B8R0.4 CSCCCCNCO ae40ab4fa2d5d94966b509e075b958da [1,0,0,0,0,0|3,0,0]=4 997 B8R0.4 CSCCCCOCF d0c2f220ea9615e6564739bdaf4f26d6 [1,0,0,0,0,0|3,0,0]=4 998 B8R0.4 CSCCCNCCBr ec30ffe3efe83d19772fd6614be31bd8 [1,0,0,0,0,0|3,0,0]=4 999 B8R0.4 CSCCCNCCF 6f018acead4e0a919452137a7c9a80a1 [1,0,0,0,0,0|3,0,0]=4 1000 B8R0.4 CSCCCNCCI 8c8c909e1474133444db1bac85a84a9a [1,0,0,0,0,0|3,0,0]=4 1001 B8R0.4 CSCCCNCCO e9c80523ec93ea29d1d50e3a2efe78d7 [1,0,0,0,0,0|3,0,0]=4 1002 B8R0.4 CSCCCNCCS 8ce9f273694c24dbd57fe73a35b16b29 [1,0,0,0,0,0|3,0,0]=4 1003 B8R0.4 CSCCCNCSC 2e8eee202d05aa3bc152533086d2bdc9 [1,0,0,0,0,0|3,0,0]=4 1004 B8R0.4 CSCCCOCC#N 2fbd9bf4e4745921ff33d7c46874a328 [1,0,0,0,0,0|2,0,1]=4 1005 B8R0.4 CSCCCOCC=O 9aff7a336ececb72c4fe588f28037e70 [1,0,0,0,0,0|2,0,1]=4 1006 B8R0.4 CSCCCOCCF 05935ee408f5ed062eac02bc9adf2239 [1,0,0,0,0,0|2,0,0]=3 1007 B8R0.4 CSCCCOCCS 65d497f29e41e59af616450de8429e8f [1,0,0,0,0,0|2,0,0]=3 1008 B8R0.4 CSCCCOCSC 2c634a852737da83c464a5d2f75b1867 [1,0,0,0,0,0|2,0,0]=3 1009 B8R0.4 CSCCNCCCCl 1f4101fe1ec24a54d0ea6acb8573e243 [1,0,0,0,0,0|3,0,0]=4 1010 B8R0.4 CSCCNCCCF f53acefc1edd8627e32fbf30143c90b6 [1,0,0,0,0,0|3,0,0]=4 1011 B8R0.4 CSCCNCCCO f6b1a735d91925126b38940200756072 [1,0,0,0,0,0|3,0,0]=4 1012 B8R0.4 CSCCNCCCS 5171e38a3e08bf443c2f699310fbb378 [1,0,0,0,0,0|3,0,0]=4 1013 B8R0.4 CSCCNCCSC 57345ae8e07bcb6fff27e2411c649483 [1,0,0,0,0,0|3,0,0]=4 1014 B8R0.4 CSCCOCCC#N 8f26ba09caeb7d07b3d9a153be269494 [1,0,0,0,0,0|2,0,1]=4 1015 B8R0.4 CSCCOCCC=O b536dffbb68d78cf6840eddbe6be827c [1,0,0,0,0,0|2,0,1]=4 1016 B8R0.4 CSCCOCCCF c4f56b1418ae54daefa5d31019c39624 [1,0,0,0,0,0|2,0,0]=3 1017 B8R0.4 CSCCOCCCS e9c2f3d41d67f2884f7bb3c015eec079 [1,0,0,0,0,0|2,0,0]=3 1018 B8R0.4 CSCCOCCSC 319db587b15ff2fca575f74e80b6b241 [1,0,0,0,0,0|2,0,0]=3 1019 B8R0.4 CSCNCCCCCl ef4dfe5dd6050805aa5f8da802adda02 [1,0,0,0,0,0|3,0,0]=4 1020 B8R0.4 CSCNCCCCO a8527b20316a926f95cc7546183714ca [1,0,0,0,0,0|3,0,0]=4 1021 B8R0.4 CSCNCCCCS 6be46d2b0b77c91914b6412036e1731e [1,0,0,0,0,0|3,0,0]=4 1022 B8R0.4 CSCOCCCC#N 12f87b6804b2073241cb6cdbc0b38137 [1,0,0,0,0,0|2,0,1]=4 1023 B8R0.4 CSCOCCCC=O 02e58623d80bf7d5cca843eacdf2cd45 [1,0,0,0,0,0|2,0,1]=4 1024 B8R0.4 CSCOCCCCF 02a4eb12d2b76c8014e2d98697a6f3b3 [1,0,0,0,0,0|2,0,0]=3 1025 B8R0.4 CSCOCCCCS 973c96e0004f71ffadd877ed13fe3fbf [1,0,0,0,0,0|2,0,0]=3 1026 B8R0.4 FCCCCNCCBr 1bc9dcab92a1f12330accfd2e72e14d6 [1,0,0,0,0,0|3,0,0]=4 1027 B8R0.4 FCCCCNCCF b075693ceddaf7fa11043e144c2816af [1,0,0,0,0,0|3,0,0]=4 1028 B8R0.4 FCCCCNCCI ae7ed6aebf6c4a1c34a09e82d047c2a9 [1,0,0,0,0,0|3,0,0]=4 1029 B8R0.4 FCCCCNCCS 816bb59d91997d2c1bc92b7c0f6e366d [1,0,0,0,0,0|3,0,0]=4 1030 B8R0.4 FCCCCOCCF 17e41dc14ab54f79884ac156b3d1ba74 [1,0,0,0,0,0|2,0,0]=3 1031 B8R0.4 FCCCCOCCS e510e523279ca95973ccf48144b1bca7 [1,0,0,0,0,0|2,0,0]=3 1032 B8R0.4 FCCCNCCCCl 61f0c1078fb9a5f585e48809f4300baf [1,0,0,0,0,0|3,0,0]=4 1033 B8R0.4 FCCCOCCCF e373f4a6b2c7dc09eddb397d23d9d066 [1,0,0,0,0,0|2,0,0]=3 1034 B8R0.4 FCCCOCCCS a95e3eb0421bef7333721cdcdbd3bc4b [1,0,0,0,0,0|2,0,0]=3 1035 B8R0.4 FCCNCCCCCl 1975b8307faa11448c1bdf8992af87f1 [1,0,0,0,0,0|3,0,0]=4 1036 B8R0.4 FCCNCCCCS 8ed200c082c73abc8837abac0f9d569b [1,0,0,0,0,0|3,0,0]=4 1037 B8R0.4 FCCOCCCCS bc8da81f510b1c1aea4df0919b9f364c [1,0,0,0,0,0|2,0,0]=3 1038 B8R0.4 FCCOCCOCF 50faf2dad833fe3e63e98bde9468a2dc [1,0,0,0,0,0|3,0,0]=4 1039 B8R0.4 FCNCCCCCCl bd9b55a0e75ce920cf8d77e10ce4c39a [1,0,0,0,0,0|3,0,0]=4 1040 B8R0.4 FCNCCOCCS 81c3ea799373ab4388a0e02673ec8aa3 [1,0,0,0,0,0|3,0,0]=4 1041 B8R0.4 FCOCCOCCS 116791f236e7274b8239c1c779308cdb [1,0,0,0,0,0|3,0,0]=4 1042 B8R0.4 N#CCCCOCCF 3cc6f1965f29bfb8d3003f7aa96dc818 [1,0,0,0,0,0|2,0,1]=4 1043 B8R0.4 N#CCCCOCCS 9ca30e3aa7d54c032e688e73d2fa21dc [1,0,0,0,0,0|2,0,1]=4 1044 B8R0.4 N#CCCOCCCF 527853a9035941a5ae6ea1d11e87f5b0 [1,0,0,0,0,0|2,0,1]=4 1045 B8R0.4 N#CCCOCCCS 109c161ea57fe03e8f1668433541dd56 [1,0,0,0,0,0|2,0,1]=4 1046 B8R0.4 N#CCOCCCCF fbb8b2b491f4e2209beccd9a28f015a6 [1,0,0,0,0,0|2,0,1]=4 1047 B8R0.4 N#CCOCCCCS a9c7636b0cd5c413edef62b885d60b8e [1,0,0,0,0,0|2,0,1]=4 1048 B8R0.4 O=CCCCOCCF e7532aaece8a67865517c3b01b67c5ec [1,0,0,0,0,0|2,0,1]=4 1049 B8R0.4 O=CCCCOCCS 991b115ad7b60aa47bc8f80580adc02b [1,0,0,0,0,0|2,0,1]=4 1050 B8R0.4 O=CCCOCCCF 12bf2bf84237f34effc6d41e7d4e1236 [1,0,0,0,0,0|2,0,1]=4 1051 B8R0.4 O=CCCOCCCS fa8d8cbc8a3558586641843cfd71f1ec [1,0,0,0,0,0|2,0,1]=4 1052 B8R0.4 O=CCOCCCCF 1f1ad11e7509bf0f0a0f4a0a60b01a6b [1,0,0,0,0,0|2,0,1]=4 1053 B8R0.4 O=CCOCCCCS 65f9d64787faff90f142a6384e5b9a2f [1,0,0,0,0,0|2,0,1]=4 1054 B8R0.4 OCCCCCNCF 25d56bc8c15e4c20f5a184f918113f82 [1,0,0,0,0,0|3,0,0]=4 1055 B8R0.4 OCCCCCNCO 038987fbd20376da0184e7a2bb8e961a [1,0,0,0,0,0|3,0,0]=4 1056 B8R0.4 OCCCCNCCBr b8272bf99e189e04880dcfd730231b2b [1,0,0,0,0,0|3,0,0]=4 1057 B8R0.4 OCCCCNCCF 2daa62cc0028d64bc29fafcad94d748e [1,0,0,0,0,0|3,0,0]=4 1058 B8R0.4 OCCCCNCCI cdb4dde329b0741952f850c2dd02d1b5 [1,0,0,0,0,0|3,0,0]=4 1059 B8R0.4 OCCCCNCCO e72d5640c9e9814577fc90927ba3cf97 [1,0,0,0,0,0|3,0,0]=4 1060 B8R0.4 OCCCCNCCS 5d16d6e12c3caf8d554ea26242ff4070 [1,0,0,0,0,0|3,0,0]=4 1061 B8R0.4 OCCCNCCCCl 44f2130d0900b9b9a2e68588ed818b63 [1,0,0,0,0,0|3,0,0]=4 1062 B8R0.4 OCCCNCCCF 201bb160220db94d82abc76c90013df3 [1,0,0,0,0,0|3,0,0]=4 1063 B8R0.4 OCCCNCCCO edf3eb30c42c02706057aad3f4a6d1c1 [1,0,0,0,0,0|3,0,0]=4 1064 B8R0.4 OCCCNCCCS 75a172a7fa3542a9588af5e5e0868eac [1,0,0,0,0,0|3,0,0]=4 1065 B8R0.4 OCCNCCCCCl a1e2d068725a16b76d30dd03cf072ef5 [1,0,0,0,0,0|3,0,0]=4 1066 B8R0.4 OCCNCCCCF 7519fd252ff10beaab56e21a65ca208e [1,0,0,0,0,0|3,0,0]=4 1067 B8R0.4 OCCNCCCCS 27274de9e3a3d0b9a3b84ebefc58a4e3 [1,0,0,0,0,0|3,0,0]=4 1068 B8R0.4 OCCOCCNCF 1688f9d4b94d3d27a20aedeebca8507f [1,0,0,0,0,0|3,0,0]=4 1069 B8R0.4 OCCOCCNCO b8376885fd98d838d1a745a28251ecc5 [1,0,0,0,0,0|3,0,0]=4 1070 B8R0.4 OCNCCCCCCl e4dd2c6014a8adf50a81d9204a644674 [1,0,0,0,0,0|3,0,0]=4 1071 B8R0.4 OCNCCOCCS 571ee11f0d3575a556c292dd6fae310f [1,0,0,0,0,0|3,0,0]=4 1072 B8R0.4 SCCCCNCCS bbc20384e5a691b033ac2653063e3ebf [1,0,0,0,0,0|3,0,0]=4 1073 B8R0.4 SCCCCOCCS 99ee8ef0ab9592fe877786d3b31651be [1,0,0,0,0,0|2,0,0]=3 1074 B8R0.4 SCCCNCCCCl 6fdfe443a1562b7aec0e4a4555e2e602 [1,0,0,0,0,0|3,0,0]=4 1075 B8R0.4 SCCCOCCCS b365a2c2ba6de0483f721999d9724a99 [1,0,0,0,0,0|2,0,0]=3 1076 B8R0.4 SCCNCCCCCl 74b3cd616c7f88cf9fb2283763fb5c22 [1,0,0,0,0,0|3,0,0]=4 1077 B10R0.1 C#CCC(C)OCCCCC b2a6ec159ef3bdee8468ad0fb5d27888 [0,1,0,0,0,0|0,0,2]=3 1078 B10R0.1 C#CCC(C)OCCCCF d8c97b4a158136a51e423f0e7d32d843 [0,1,0,0,0,0|1,0,2]=4 1079 B10R0.1 C#CCC(C)OCCCOC 5a8238ffe61233cfa01ae34eaaacc3d8 [0,1,0,0,0,0|1,0,2]=4 1080 B10R0.1 C#CCC(C)OCCCSC 45536a368ae332621215d506d907d3dc [0,1,0,0,0,0|1,0,2]=4 1081 B10R0.1 C#CCC(C)OCCOCC f882be5f3aee8cf892566f1a6e0371ef [0,1,0,0,0,0|1,0,2]=4 1082 B10R0.1 C#CCC(C)OCCSCC 5c2f2211feff8674876fbdfb27e1b6c9 [0,1,0,0,0,0|1,0,2]=4 1083 B10R0.1 C#CCCCNC(C)CCC a2277d12a338ca78c1eaf390b15c4d32 [0,1,0,0,0,0|1,0,2]=4 1084 B10R0.1 C#CCCCN[C@@H](C)CCC b7644729558a9ca0f31454e391c2b8ed [0,1,0,0,0,0|1,0,2]=4 1085 B10R0.1 C#CCCCOC(=S)CCC 62e3bb31049efd0c4ab70b827b2bca95 [0,1,0,0,0,0|0,0,3]=4 1086 B10R0.1 C#CCCCOC(C)CCC 067d9364c414ee8844b54ca68e15b9d2 [0,1,0,0,0,0|0,0,2]=3 1087 B10R0.1 C#CCCCOC(C)COC 0fd9ca2cce1f2b720f06165666f2b818 [0,1,0,0,0,0|1,0,2]=4 1088 B10R0.1 C#CCCCOC(C)CSC d0a0178f3c8f6d9b2cb1a1f8df560c79 [0,1,0,0,0,0|1,0,2]=4 1089 B10R0.1 C#CCCCO[C@@H](C)CCC b2788f0173eec1e3082f8e55d2554a41 [0,1,0,0,0,0|0,0,2]=3 1090 B10R0.1 C#CCCCO[C@@H](C)COC 147fcb099f3b55e3229869c189153a94 [0,1,0,0,0,0|1,0,2]=4 1091 B10R0.1 C#CCCCO[C@H](C)CCC 2ca77245b371a50ee8e46faa8855d992 [0,1,0,0,0,0|0,0,2]=3 1092 B10R0.1 C#CCCCO[C@H](C)COC 7c872b26a0bc8e397428af09da68ba84 [0,1,0,0,0,0|1,0,2]=4 1093 B10R0.1 C#CCCNCC(C)CCC 974e2a9ef0c17685c7d4cec795cb6e7b [0,1,0,0,0,0|1,0,2]=4 1094 B10R0.1 C#CCCNCC(O)CCC 1918779469e0660299619abbafe68926 [0,1,0,0,0,0|1,0,2]=4 1095 B10R0.1 C#CCCOCC(=O)CCC 4b16cb2cf69aa46b6e6a8c9c82f2cec9 [0,1,0,0,0,0|0,0,3]=4 1096 B10R0.1 C#CCCOCC(C)CCC 129aa1d4b9e21d8796c9df61be292f5a [0,1,0,0,0,0|0,0,2]=3 1097 B10R0.1 C#CCCOCC(C)COC 4e40e2c880b9ecca5d9f7fee7ce4786e [0,1,0,0,0,0|1,0,2]=4 1098 B10R0.1 C#CCCOCC(C)OCC c60ec4ea76879579bd18c03ffd8c4bd7 [0,1,0,0,0,0|1,0,2]=4 1099 B10R0.1 C#CCCOC[C@@H](C)COC 4b782d06abde8e7f73adf8010f459ee5 [0,1,0,0,0,0|1,0,2]=4 1100 B10R0.1 C#CCCOC[C@@H](O)CCO 05a56b46d408f57e598f5ef839357aed [0,1,0,0,0,0|1,0,2]=4 1101 B10R0.1 C#CCN(C)COCCCC 58dd654772e11ec5beaef822dee5e7b6 [0,1,0,0,0,0|1,0,2]=4 1102 B10R0.1 C/C=C/C(C)OCCCCC 32eea464d13baf497956841c74817910 [0,1,0,0,0,0|0,0,2]=3 1103 B10R0.1 C/C=C/C(C)OCCCCF 5d7e850413b0247569bc79ca5a6f41b1 [0,1,0,0,0,0|1,0,2]=4 1104 B10R0.1 C/C=C/C(C)OCCCOC ea013ee8b3e9d812b010f4ecc839a115 [0,1,0,0,0,0|1,0,2]=4 1105 B10R0.1 C/C=C/C(C)OCCCSC be40740f80aad30c98b735238c83d33b [0,1,0,0,0,0|1,0,2]=4 1106 B10R0.1 C/C=C/C(C)OCCOCC 5817844abb85ca9d19aeccbccc6a5e85 [0,1,0,0,0,0|1,0,2]=4 1107 B10R0.1 C/C=C/C(C)OCCSCC 1e43b0036a7f7ad319d8fb53a0085044 [0,1,0,0,0,0|1,0,2]=4 1108 B10R0.1 C/C=C/CCOC(C)CCC 294fae16eede2a954b42064381e4ae97 [0,1,0,0,0,0|0,0,2]=3 1109 B10R0.1 C/C=C/CCOC(C)COC dc60f188db2ce90ff351fb90f8738942 [0,1,0,0,0,0|1,0,2]=4 1110 B10R0.1 C/C=C/CNCC(O)CCC 015cf53a97a3f1ced4b0ee8d7d4f17f3 [0,1,0,0,0,0|1,0,2]=4 1111 B10R0.1 C/C=C/COCC(=O)CCC e705dd41e10e42b7866df48e1ca92157 [0,1,0,0,0,0|0,0,3]=4 1112 B10R0.1 C/C=C/COCC(C)CCC 2fb77c85e6b8fcf2f3d59adb72426c1c [0,1,0,0,0,0|0,0,2]=3 1113 B10R0.1 C/C=C/COCC(C)COC 4f5b10bbb91e1bbeeb17add3ac307c83 [0,1,0,0,0,0|1,0,2]=4 1114 B10R0.1 C/C=C/COCC(C)OCC 72dfabb89ecd3e5f4ac646c536b5e410 [0,1,0,0,0,0|1,0,2]=4 1115 B10R0.1 C/C=C/COC[C@@H](C)COC 6bad617d61c5cfdaf8518ce3f97ecd70 [0,1,0,0,0,0|1,0,2]=4 1116 B10R0.1 C/C=C/COC[C@@H](O)CCO 73dcc87895040f2f01e6cfe37e19d249 [0,1,0,0,0,0|1,0,2]=4 1117 B10R0.1 C/C=C\CNCC(O)CCC 4ea66076339258948e8d1fa49c1c75bb [0,1,0,0,0,0|1,0,2]=4 1118 B10R0.1 C/C=C\COCC(=O)CCC 8bf6bfccd0bb73cc8d5f50cefcee622b [0,1,0,0,0,0|0,0,3]=4 1119 B10R0.1 C/C=C\COCC(C)CCC e48afa56e491d298d26a4fd2f9c4fab9 [0,1,0,0,0,0|0,0,2]=3 1120 B10R0.1 C/C=C\COCC(C)COC 8c0571e0201f3c216590caeb2ed869ef [0,1,0,0,0,0|1,0,2]=4 1121 B10R0.1 C/C=C\COCC(C)OCC 00e364e5d445369db61412fffd887996 [0,1,0,0,0,0|1,0,2]=4 1122 B10R0.1 C/C=C\COC[C@@H](C)COC 44d066a1ccddc45bcdc5df510c6ae309 [0,1,0,0,0,0|1,0,2]=4 1123 B10R0.1 C/C=C\COC[C@@H](O)CCO 68d7c44115cd62fe433dd4f331f98c1f [0,1,0,0,0,0|1,0,2]=4 1124 B10R0.1 C=C=CCCOC(C)CCC 23e00bccf880955ad4e4ff5190e1b2e6 [0,1,0,0,0,0|0,0,3]=4 1125 B10R0.1 C=CCC(C)CNCCCC a237fd4f78b74a30412747f6b3fc0552 [0,1,0,0,0,0|1,0,2]=4 1126 B10R0.1 C=CCC(C)COCCCC c02a99f7c8b35d96a371d56a86563ee7 [0,1,0,0,0,0|0,0,2]=3 1127 B10R0.1 C=CCC(C)COCCCF 9e1024ce6a66dfc21d3d82285553b838 [0,1,0,0,0,0|1,0,2]=4 1128 B10R0.1 C=CCC(C)COCCCS 9081737483624fed09cb9aac3cce2650 [0,1,0,0,0,0|1,0,2]=4 1129 B10R0.1 C=CCC(C)COCCOC 3aa47a39fe5668e28fbe437cd279241c [0,1,0,0,0,0|1,0,2]=4 1130 B10R0.1 C=CCC(C)COCCSC 0a7697489958b07bfc73dcfd2603f613 [0,1,0,0,0,0|1,0,2]=4 1131 B10R0.1 C=CCC(C)COCOCC 66e86ba16bfba02903d82816598ab359 [0,1,0,0,0,0|1,0,2]=4 1132 B10R0.1 C=CCC(C)OCCCCC b7f426405e4f74e50b5fed1d73a8b9fb [0,1,0,0,0,0|0,0,2]=3 1133 B10R0.1 C=CCC(C)OCCCCF 6230d27ebee6be8a4c00be0808946f93 [0,1,0,0,0,0|1,0,2]=4 1134 B10R0.1 C=CCC(C)OCCCOC 15c86d145c4fef0b97817f7575b55de1 [0,1,0,0,0,0|1,0,2]=4 1135 B10R0.1 C=CCC(C)OCCCSC 1bcde5f31948d56f0299616d02b3d29b [0,1,0,0,0,0|1,0,2]=4 1136 B10R0.1 C=CCC(C)OCCOCC 81c2d0692d786d7d8e7a3720ea221e05 [0,1,0,0,0,0|1,0,2]=4 1137 B10R0.1 C=CCC(C)OCCSCC ca0bf1ed534bdfb7d4aacc00637d9088 [0,1,0,0,0,0|1,0,2]=4 1138 B10R0.1 C=CCC(O)CNCCCC 52128b166ffa9b79934922b5c167fdd6 [0,1,0,0,0,0|1,0,2]=4 1139 B10R0.1 C=CCCCNC(C)CCC 265efc117d2ee8f6ff2acbf179f8fbeb [0,1,0,0,0,0|1,0,2]=4 1140 B10R0.1 C=CCCCN[C@@H](C)CCC 911aac8adb967c636dcd07bc8b7ca5d6 [0,1,0,0,0,0|1,0,2]=4 1141 B10R0.1 C=CCCCOC(=S)CCC 4cb56d9bc436f4caf74e6534297d8c48 [0,1,0,0,0,0|0,0,3]=4 1142 B10R0.1 C=CCCCOC(C)CCC 59c73179272e32c220a5265d9b7920e5 [0,1,0,0,0,0|0,0,2]=3 1143 B10R0.1 C=CCCCOC(C)COC 552bff0dfd63befd85ced670dbfb1673 [0,1,0,0,0,0|1,0,2]=4 1144 B10R0.1 C=CCCCOC(C)CSC bee7119f7f32ec56214418001b76bdab [0,1,0,0,0,0|1,0,2]=4 1145 B10R0.1 C=CCCCO[C@@H](C)CCC d12a1111d52854a012f56cc95ef59811 [0,1,0,0,0,0|0,0,2]=3 1146 B10R0.1 C=CCCCO[C@@H](C)COC af9aafb241e6243ce80c8b16d6675772 [0,1,0,0,0,0|1,0,2]=4 1147 B10R0.1 C=CCCCO[C@H](C)CCC c2777e3116404f4f56150b0ea81fc9d5 [0,1,0,0,0,0|0,0,2]=3 1148 B10R0.1 C=CCCCO[C@H](C)COC 998ceb4853e8048e8f99fcb0bea33229 [0,1,0,0,0,0|1,0,2]=4 1149 B10R0.1 C=CCCNCC(C)CCC 319d05edc8dceaf02aeba54717b411a4 [0,1,0,0,0,0|1,0,2]=4 1150 B10R0.1 C=CCCNCC(O)CCC a6dc90b2b31c547f9e727bfba2f2f113 [0,1,0,0,0,0|1,0,2]=4 1151 B10R0.1 C=CCCOCC(=O)CCC 5fa19dac02f4734efaaffc6177d1b445 [0,1,0,0,0,0|0,0,3]=4 1152 B10R0.1 C=CCCOCC(C)CCC 3940e1e325754985009417becbc673e7 [0,1,0,0,0,0|0,0,2]=3 1153 B10R0.1 C=CCCOCC(C)COC 4e34d58176c1a439247e0f68e3724e05 [0,1,0,0,0,0|1,0,2]=4 1154 B10R0.1 C=CCCOCC(C)OCC 77f2a70b61fafad73e5b0c425358c234 [0,1,0,0,0,0|1,0,2]=4 1155 B10R0.1 C=CCCOC[C@@H](C)COC 0ddc273d669e718f7e574ef38dc16d1c [0,1,0,0,0,0|1,0,2]=4 1156 B10R0.1 C=CCCOC[C@@H](O)CCO cab8bcc05058f6270437141097001813 [0,1,0,0,0,0|1,0,2]=4 1157 B10R0.1 C=CCN(C)COCCCC 7c09134aff0bc2bc76a827cdad9c4ff1 [0,1,0,0,0,0|1,0,2]=4 1158 B10R0.1 C=CC[C@@H](C)OCCCCC aa673c1bd040cb41d238530eaaff3c2a [0,1,0,0,0,0|0,0,2]=3 1159 B10R0.1 C=CC[C@@H](C)OCCCCF b94d050df4d3c096d4cf71863d2337c5 [0,1,0,0,0,0|1,0,2]=4 1160 B10R0.1 C=CC[C@@H](C)OCCCOC 09a8366cfd762df5beac3ebf154ffe69 [0,1,0,0,0,0|1,0,2]=4 1161 B10R0.1 C=CC[C@@H](C)OCCCSC 61885cb093f4de0b0bb55c18342e57c2 [0,1,0,0,0,0|1,0,2]=4 1162 B10R0.1 C=CC[C@@H](C)OCCOCC 03d03dbf7bb38da5d87d01040462fde2 [0,1,0,0,0,0|1,0,2]=4 1163 B10R0.1 C=CC[C@@H](C)OCCSCC e608f8a616852f28c4f2f4dc714de0e9 [0,1,0,0,0,0|1,0,2]=4 1164 B10R0.1 C=CC[C@H](C)OCCCCC f4d37e55b99eedc4429f4284005d77bf [0,1,0,0,0,0|0,0,2]=3 1165 B10R0.1 C=CC[C@H](C)OCCCCF cf05bb5e53e3c9aa2a55e575070b935f [0,1,0,0,0,0|1,0,2]=4 1166 B10R0.1 C=CC[C@H](C)OCCCOC 8b53f75007bb6e1cb79f30b58fc81487 [0,1,0,0,0,0|1,0,2]=4 1167 B10R0.1 C=CC[C@H](C)OCCCSC 70467a0309c859d720ffb978b4b0319f [0,1,0,0,0,0|1,0,2]=4 1168 B10R0.1 C=CC[C@H](C)OCCOCC 4514c20c5c131966e50d2aeb60fd4762 [0,1,0,0,0,0|1,0,2]=4 1169 B10R0.1 C=CC[C@H](C)OCCSCC dd675208152146367cef1556174367bd [0,1,0,0,0,0|1,0,2]=4 1170 B10R0.1 C=COCCOC(C)CCC c83406237d93aadda4b65986ed45543f [0,1,0,0,0,0|1,0,2]=4 1171 B10R0.1 CC#CC(C)OCCCCC ed31339ffcdbb8e8c68f4086e4802fe9 [0,1,0,0,0,0|0,0,2]=3 1172 B10R0.1 CC#CC(C)OCCCCF da962cd96829ee36506714b7edc0c621 [0,1,0,0,0,0|1,0,2]=4 1173 B10R0.1 CC#CC(C)OCCCOC 1caf15de9f6e4d28434afde5e430c26e [0,1,0,0,0,0|1,0,2]=4 1174 B10R0.1 CC#CC(C)OCCCSC 4ba625c508e4adc127e31eed36b71161 [0,1,0,0,0,0|1,0,2]=4 1175 B10R0.1 CC#CC(C)OCCOCC e3e6dc004745380b1509726a5fdd2f84 [0,1,0,0,0,0|1,0,2]=4 1176 B10R0.1 CC#CC(C)OCCSCC 7cc509652c859b1da5a91289550e4f92 [0,1,0,0,0,0|1,0,2]=4 1177 B10R0.1 CC#CCCOC(C)CCC f5e1b7730a6921b5437e9716c2caa7a1 [0,1,0,0,0,0|0,0,2]=3 1178 B10R0.1 CC#CCCOC(C)COC c0621824678cb07014e5b446433c26aa [0,1,0,0,0,0|1,0,2]=4 1179 B10R0.1 CC#CCNCC(C)CCC 4ec31c03e4eae008151969862a37404d [0,1,0,0,0,0|1,0,2]=4 1180 B10R0.1 CC#CCOCC(=O)CCC b631437fcbe06f5bf58285241b38365a [0,1,0,0,0,0|0,0,3]=4 1181 B10R0.1 CC#CCOCC(C)CCC 6d915e5e8f849bb0d5ae6bc4ca0f0818 [0,1,0,0,0,0|0,0,2]=3 1182 B10R0.1 CC#CCOC[C@@H](O)CCO 2f7c2dcda98869be8aa658047ae1a5d1 [0,1,0,0,0,0|1,0,2]=4 1183 B10R0.1 CC(CC#N)OCCCCF c2ad63e6a4daa1a2101c31eeeb9beb4f [0,1,0,0,0,0|2,0,1]=4 1184 B10R0.1 CC(CC#N)OCCCCS 7ea15ef20589e02478f052b7735eb7d2 [0,1,0,0,0,0|2,0,1]=4 1185 B10R0.1 CC(CCO)CNCCCF 9ec2b2c4ec89b4504e853a6f734fccf3 [0,1,0,0,0,0|3,0,0]=4 1186 B10R0.1 CC(CCO)CNCCCO 073108835961a4af66a62ccff6dabd4c [0,1,0,0,0,0|3,0,0]=4 1187 B10R0.1 CC(CCO)CNCCCS 4f9d4f3b657aff0bad30f93fe2d386bb [0,1,0,0,0,0|3,0,0]=4 1188 B10R0.1 CC(CCO)NCCCCCl 0b5004bdda99c97f9c8191a8c4acf1f3 [0,1,0,0,0,0|3,0,0]=4 1189 B10R0.1 CC(CCO)NCCCCF 2189a537dd69201e9559b90e4715d71f [0,1,0,0,0,0|3,0,0]=4 1190 B10R0.1 CC(CCO)NCCCCO 5c2c5f24a3d040f2bd322d61b00c2bf7 [0,1,0,0,0,0|3,0,0]=4 1191 B10R0.1 CC(CCO)NCCCCS a155f1fe87c1c78b029d7f04aec39523 [0,1,0,0,0,0|3,0,0]=4 1192 B10R0.1 CC/C=C/CNC(C)CCC c31c035fd54ff502a1330a759d07e9ed [0,1,0,0,0,0|1,0,2]=4 1193 B10R0.1 CC/C=C/CN[C@@H](C)CCC 12e7de162aafe542e99e1428a5af703d [0,1,0,0,0,0|1,0,2]=4 1194 B10R0.1 CC/C=C/COC(=S)CCC 70ec4c0977dbca2d1155ab6d62691382 [0,1,0,0,0,0|0,0,3]=4 1195 B10R0.1 CC/C=C/COC(C)CCC 19690a47d49baee7bb1487f172789f12 [0,1,0,0,0,0|0,0,2]=3 1196 B10R0.1 CC/C=C/COC(C)COC acfcc4bfa1c29a427dc4f966ccf4bb35 [0,1,0,0,0,0|1,0,2]=4 1197 B10R0.1 CC/C=C/COC(C)CSC 404fe6c8db0c68de08b51fff412c24ef [0,1,0,0,0,0|1,0,2]=4 1198 B10R0.1 CC/C=C/CO[C@@H](C)CCC dce6e8e95e54b6a2e50952d6c8d1337c [0,1,0,0,0,0|0,0,2]=3 1199 B10R0.1 CC/C=C/CO[C@@H](C)COC 50b6a1d42f4ed6c3f5a7e65a0b208f62 [0,1,0,0,0,0|1,0,2]=4 1200 B10R0.1 CC/C=C/CO[C@H](C)CCC 379a4b7cbe36b8805d03e2a84d75416d [0,1,0,0,0,0|0,0,2]=3 1201 B10R0.1 CC/C=C/CO[C@H](C)COC 6dd701ec224d6247a93a1ed6888ca6a1 [0,1,0,0,0,0|1,0,2]=4 1202 B10R0.1 CC/C=C\COC(C)CCC 1b6a3cfa3da8e4e04cdead2fa0778ebd [0,1,0,0,0,0|0,0,2]=3 1203 B10R0.1 CC/C=C\COC(C)COC 450ba532c1919d55a38198babf7147c5 [0,1,0,0,0,0|1,0,2]=4 1204 B10R0.1 CC=CC(C)OCCCCC 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CCC#CCOC(C)COC 2e52fc149e75790e16fc34870d84c1c6 [0,1,0,0,0,0|1,0,2]=4 1217 B10R0.1 CCC#CCOC(C)CSC 05b63f25d17a016adb0ee04ff0f5819f [0,1,0,0,0,0|1,0,2]=4 1218 B10R0.1 CCC#CCO[C@@H](C)CCC 10d9c53310de2c9e94f5bcc7b204c0ba [0,1,0,0,0,0|0,0,2]=3 1219 B10R0.1 CCC#CCO[C@@H](C)COC 46a7318ec29d5bb0db7ade6caeb71d84 [0,1,0,0,0,0|1,0,2]=4 1220 B10R0.1 CCC#CCO[C@H](C)CCC 40f738d0a6d1399b99b0d321aa66672b [0,1,0,0,0,0|0,0,2]=3 1221 B10R0.1 CCC#CCO[C@H](C)COC 31873fcbeab0b876e8c259160d0bea46 [0,1,0,0,0,0|1,0,2]=4 1222 B10R0.1 CCC/C=C/CN(C)CCC dc1b9528aa833002670f6b559b7b06a6 [0,1,0,0,0,0|2,0,1]=4 1223 B10R0.1 CCC/C=C\CN(C)CCC d9ee41322310934450b450887f56a857 [0,1,0,0,0,0|2,0,1]=4 1224 B10R0.1 CCCC(=O)CNCCCCl c0f1363d0e8689562363b48372f1c1fb [0,1,0,0,0,0|2,0,1]=4 1225 B10R0.1 CCCC(=O)CNCCCO af23909a43cb4df58e0bd24d961ffff2 [0,1,0,0,0,0|2,0,1]=4 1226 B10R0.1 CCCC(=O)CNCCOC 317e67aceabfbe7a232fb2e03d7a50fc [0,1,0,0,0,0|2,0,1]=4 1227 B10R0.1 CCCC(=O)CNCCSC 3695c07515b783531beb51fbbf72d8bd 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[0,1,0,0,0,0|2,0,1]=4 1240 B10R0.1 CCCC(=O)NCCSCC 80b0e19972a11cccc458980ea52b2299 [0,1,0,0,0,0|2,0,1]=4 1241 B10R0.1 CCCC(=O)OCCOCC 9a285a2c378d3b3e5e911c97d35a22b7 [0,1,0,0,0,0|1,0,1]=3 1242 B10R0.1 CCCC(=O)OCCOCF 3c9e2aeba7aac381e328973102e6b518 [0,1,0,0,0,0|2,0,1]=4 1243 B10R0.1 CCCC(=O)OCNCCBr 30734e62ea61515bfcd7b9963185a180 [0,1,0,0,0,0|2,0,1]=4 1244 B10R0.1 CCCC(=O)OCNCCF 9461371387da09d32e1a124fabb3128d [0,1,0,0,0,0|2,0,1]=4 1245 B10R0.1 CCCC(=O)OCNCCI 10e5dfc9291f4d6a52bef8bfbd46ea72 [0,1,0,0,0,0|2,0,1]=4 1246 B10R0.1 CCCC(=O)OCNCCO a51bae12876ca95add56b81db6ac58f9 [0,1,0,0,0,0|2,0,1]=4 1247 B10R0.1 CCCC(=O)OCNCCS e8f339d65a1c2e70198227e13ce11765 [0,1,0,0,0,0|2,0,1]=4 1248 B10R0.1 CCCC(=O)OCOCCS fc6fc7ed68bb3d8ebc4097c031c4d7b2 [0,1,0,0,0,0|2,0,1]=4 1249 B10R0.1 CCCC(=O)OCOCOC fbb7c8e9294a5d705a5a9e62492b2491 [0,1,0,0,0,0|2,0,1]=4 1250 B10R0.1 CCCC(=S)OCCCC#N 3471077d86ee02e1005cb85701460e64 [0,1,0,0,0,0|1,0,2]=4 1251 B10R0.1 CCCC(=S)OCCCC=O ee7e8872e425d6f5224cb761edeae8a2 [0,1,0,0,0,0|1,0,2]=4 1252 B10R0.1 CCCC(=S)OCCCCF a87f2db53eb48cbc176427ca92313c59 [0,1,0,0,0,0|1,0,1]=3 1253 B10R0.1 CCCC(=S)OCCCOC 0f4db520c0f579ec24c237eea823c892 [0,1,0,0,0,0|1,0,1]=3 1254 B10R0.1 CCCC(=S)OCCCSC 12882614c3d678eebfd0f7f1164a7738 [0,1,0,0,0,0|1,0,1]=3 1255 B10R0.1 CCCC(=S)OCCOCC a1bd1ecdf3a74bbe1c29303e11aeb9ee [0,1,0,0,0,0|1,0,1]=3 1256 B10R0.1 CCCC(=S)OCCSCC 57566a2b28663af6eed39d2cf1b8b53f [0,1,0,0,0,0|1,0,1]=3 1257 B10R0.1 CCCC(C)CCCOCC b730bf7a00ffbf0ead7383036ed439dc [0,1,0,0,0,0|2,0,0]=3 1258 B10R0.1 CCCC(C)CCCOCF fce5136daa5bd9dafea9e8c717a408e7 [0,1,0,0,0,0|3,0,0]=4 1259 B10R0.1 CCCC(C)CCOCCF f166489fb920cf800642534f255a08ca [0,1,0,0,0,0|3,0,0]=4 1260 B10R0.1 CCCC(C)CCOCCS 9f91f52fa0ebfaa5124785ff982998ff [0,1,0,0,0,0|3,0,0]=4 1261 B10R0.1 CCCC(C)CCOCOC d6371f4712a599a6d13387cc6706d429 [0,1,0,0,0,0|3,0,0]=4 1262 B10R0.1 CCCC(C)CCOCSC f6eabad88ba143f39e9d35b62fbe0d4c [0,1,0,0,0,0|3,0,0]=4 1263 B10R0.1 CCCC(C)CNCCC#N 97790b7d3d77b4291e75cba300d2bd9b [0,1,0,0,0,0|2,0,1]=4 1264 B10R0.1 CCCC(C)CNCCCCl e7bec734d190dc182562e64f4df907f2 [0,1,0,0,0,0|2,0,0]=3 1265 B10R0.1 CCCC(C)CNCCCO b19e2ca756a1f35c6e3b6daf8a129f98 [0,1,0,0,0,0|2,0,0]=3 1266 B10R0.1 CCCC(C)CNCCOC 4be39696eb288d292dd8754bb7a02061 [0,1,0,0,0,0|2,0,0]=3 1267 B10R0.1 CCCC(C)CNCCON 864c3e7add60b6ca95c043c13e1c5d39 [0,1,0,0,0,0|3,0,0]=4 1268 B10R0.1 CCCC(C)CNCCSC 07096edde6da969f2c79fd6f88897d8e [0,1,0,0,0,0|2,0,0]=3 1269 B10R0.1 CCCC(C)COC/C=C/Cl a9d17da5bc20331cc8bacc1f91b59980 [0,1,0,0,0,0|1,0,2]=4 1270 B10R0.1 CCCC(C)COC/C=C\Cl ef02de2267522cdecfff83a155e9a04b [0,1,0,0,0,0|1,0,2]=4 1271 B10R0.1 CCCC(C)COCC#CI 8b83a64d665c7a2db4ec76b71879cab8 [0,1,0,0,0,0|1,0,2]=4 1272 B10R0.1 CCCC(C)COCC=CCl f7cc44684373fe4bdd92fc68860a665f [0,1,0,0,0,0|1,0,2]=4 1273 B10R0.1 CCCC(C)COCCC#N 5f214b18a2e1b406ab90385db11cbd1f [0,1,0,0,0,0|1,0,1]=3 1274 B10R0.1 CCCC(C)COCCC=O f7e94c86a6b2002d55153d1bad55cd4e [0,1,0,0,0,0|1,0,1]=3 1275 B10R0.1 CCCC(C)COCCCF 99a654fcf0d9a295802dc90661c7efb2 [0,1,0,0,0,0|1,0,0]=2 1276 B10R0.1 CCCC(C)COCCCS c09fe10901cc6fdb32cbdce902d2212d [0,1,0,0,0,0|1,0,0]=2 1277 B10R0.1 CCCC(C)COCCOC 6697ee18f3981b2905bd062fa6a99854 [0,1,0,0,0,0|1,0,0]=2 1278 B10R0.1 CCCC(C)COCCSC 29b7566060ce7b4bb1dd330968e4b818 [0,1,0,0,0,0|1,0,0]=2 1279 B10R0.1 CCCC(C)COCOCC 10f2d4c82590de11e245d4a3d7543da5 [0,1,0,0,0,0|1,0,0]=2 1280 B10R0.1 CCCC(C)COCSC#N 0ea90d225c47048c9237e869be4ed435 [0,1,0,0,0,0|2,0,1]=4 1281 B10R0.1 CCCC(C)NCCCC#N 5bfe97cc0c37df696ff67170629024a0 [0,1,0,0,0,0|2,0,1]=4 1282 B10R0.1 CCCC(C)NCCCC=O 98cac310e435b5f86beefe0c8adb90ce [0,1,0,0,0,0|2,0,1]=4 1283 B10R0.1 CCCC(C)NCCCCCl 57722d2194f2c1d73903fd1689450169 [0,1,0,0,0,0|2,0,0]=3 1284 B10R0.1 CCCC(C)NCCCCF b2e9ac667651ddfbe038995231689d51 [0,1,0,0,0,0|2,0,0]=3 1285 B10R0.1 CCCC(C)NCCCCO 8db09eb68f37576e10600bf79dddec7d [0,1,0,0,0,0|2,0,0]=3 1286 B10R0.1 CCCC(C)NCCCCS 75396297f79549088997df90051f27d4 [0,1,0,0,0,0|2,0,0]=3 1287 B10R0.1 CCCC(C)NCCCOC c7d3b9d293b3055c558d6268f484c52d [0,1,0,0,0,0|2,0,0]=3 1288 B10R0.1 CCCC(C)NCCCSC 5acc21da26a1770c63673a1227437d68 [0,1,0,0,0,0|2,0,0]=3 1289 B10R0.1 CCCC(C)NCCOCC 37897ae30bf5cfdeea085fac85ee69fa [0,1,0,0,0,0|2,0,0]=3 1290 B10R0.1 CCCC(C)NCCSCC ecfb20a0f6b3f04f7128b9a887c4ce2c [0,1,0,0,0,0|2,0,0]=3 1291 B10R0.1 CCCC(C)OCCCC#N f3c5dadf5651cd9d17e3ea44843bc8f6 [0,1,0,0,0,0|1,0,1]=3 1292 B10R0.1 CCCC(C)OCCCC=O 45d65a1e75906660ff9b099340345a0a [0,1,0,0,0,0|1,0,1]=3 1293 B10R0.1 CCCC(C)OCCCCF 13ba8b7531bcfc70a81d1accbd4c7f44 [0,1,0,0,0,0|1,0,0]=2 1294 B10R0.1 CCCC(C)OCCCCS d72c779ebf544bb433c5b952cfb1f0a0 [0,1,0,0,0,0|1,0,0]=2 1295 B10R0.1 CCCC(C)OCCCOC 27dd498ad340f5477304caf042496cdc [0,1,0,0,0,0|1,0,0]=2 1296 B10R0.1 CCCC(C)OCCCSC af2a37f320e9cb1def2a06f1bd8da43b [0,1,0,0,0,0|1,0,0]=2 1297 B10R0.1 CCCC(C)OCCNC=O 8b38d359c80ceb234e6c829edb54575c [0,1,0,0,0,0|2,0,1]=4 1298 B10R0.1 CCCC(C)OCCOC=O b8352676535b682531d69a3aea4bab52 [0,1,0,0,0,0|2,0,1]=4 1299 B10R0.1 CCCC(C)OCCOCC f74f7fa41a2da07c6ada5e572fcee475 [0,1,0,0,0,0|1,0,0]=2 1300 B10R0.1 CCCC(C)OCCSCC 369979e35e101e7801c5f92538b1f3a1 [0,1,0,0,0,0|1,0,0]=2 1301 B10R0.1 CCCC(O)CNCCC#N 04a11e8a8ddcbf1989ec82b93a3ecb7d [0,1,0,0,0,0|2,0,1]=4 1302 B10R0.1 CCCC(O)CNCCC=O 1d83258ab3ef70d4a805b0441f840c87 [0,1,0,0,0,0|2,0,1]=4 1303 B10R0.1 CCCC(O)CNCCCF 41e0c7f1d5ed72f4e92ede4f0ff10160 [0,1,0,0,0,0|2,0,0]=3 1304 B10R0.1 CCCC(O)CNCCCO 20121aadbdb397f80f6f3c7645bf5f9a [0,1,0,0,0,0|2,0,0]=3 1305 B10R0.1 CCCC(O)CNCCCS f54c14bd91ffdae5d5af5a9399855cf3 [0,1,0,0,0,0|2,0,0]=3 1306 B10R0.1 CCCC(O)CNCCOC 6c9d4942428bfa2eb98f96ebce2c27bc [0,1,0,0,0,0|2,0,0]=3 1307 B10R0.1 CCCC(O)CNCCSC 354e5f2eeceacf16527319c3ef98a30d [0,1,0,0,0,0|2,0,0]=3 1308 B10R0.1 CCCC(O)CNCOCC 909affb8dcea681ade1fe7d0162d2e54 [0,1,0,0,0,0|2,0,0]=3 1309 B10R0.1 CCCC(S)CCOCCF daf71b0a00db5413dcf885efbc22f2f0 [0,1,0,0,0,0|3,0,0]=4 1310 B10R0.1 CCCC(S)CCOCCS adbab46e76cab271b63ff6b97d97097c [0,1,0,0,0,0|3,0,0]=4 1311 B10R0.1 CCCC(S)CCOCOC 36f25d73a0fd3d2f74140ef2f7cf0717 [0,1,0,0,0,0|3,0,0]=4 1312 B10R0.1 CCCC(S)CCOCSC 4465e6a9283daf73f00f86cae0397eab [0,1,0,0,0,0|3,0,0]=4 1313 B10R0.1 CCCCCCC(C)NCC 18cf51122b77d7d025187e4523b3a1e3 [0,1,0,0,0,0|2,0,0]=3 1314 B10R0.1 CCCCCCC(C)NCF f81a9f389f3736a1703faab926dbcd60 [0,1,0,0,0,0|3,0,0]=4 1315 B10R0.1 CCCCCCC(C)NCO ace615d678b35769ec5bbc319b329d03 [0,1,0,0,0,0|3,0,0]=4 1316 B10R0.1 CCCCCCC(C)OCC d985d856010a7b8ef992ad40f7161b3e [0,1,0,0,0,0|2,0,0]=3 1317 B10R0.1 CCCCCCC(C)OCF 4e6f5dc99b5f13be4422b5a049616576 [0,1,0,0,0,0|3,0,0]=4 1318 B10R0.1 CCCCCCN(C)CCC d9be85fa1ca3cb2603bb497abfd54e2f [0,1,0,0,0,0|2,0,0]=3 1319 B10R0.1 CCCCCCN(C)CCF 87a85f2b0a9b84dcbda880835e49b44d [0,1,0,0,0,0|3,0,0]=4 1320 B10R0.1 CCCCCCN(C)CCO 91ac4277144a6587277e9315c1c83e80 [0,1,0,0,0,0|3,0,0]=4 1321 B10R0.1 CCCCCCN(C)CCS 8a983eb51265685a2a33d9bc4e53864f [0,1,0,0,0,0|3,0,0]=4 1322 B10R0.1 CCCCCCN(C)COC b262c2f25c8ec0c154a4a9e33014bb79 [0,1,0,0,0,0|3,0,0]=4 1323 B10R0.1 CCCCCCN(C)CSC 3d54765c5a01ab712f1ebe849ee1f4f7 [0,1,0,0,0,0|3,0,0]=4 1324 B10R0.1 CCCCCC[C@@H](C)NCC 024aff984286c1e4ab0d37ad1e4e29ca [0,1,0,0,0,0|2,0,0]=3 1325 B10R0.1 CCCCCC[C@@H](C)NCF 5df1c4d27a19bbe325591d1ac34b6071 [0,1,0,0,0,0|3,0,0]=4 1326 B10R0.1 CCCCCC[C@@H](C)NCO 110f7bb0c516a599769649aaa66e6cc0 [0,1,0,0,0,0|3,0,0]=4 1327 B10R0.1 CCCCCC[C@@H](C)OCC af575d78eb64c4272362170d1037dd2d [0,1,0,0,0,0|2,0,0]=3 1328 B10R0.1 CCCCCC[C@@H](C)OCF 0e29a5565b8940a17cdb65d67b17cd5e [0,1,0,0,0,0|3,0,0]=4 1329 B10R0.1 CCCCCC[C@H](C)NCC 8f9fd4b854d1037c0c6ab6c1780bba52 [0,1,0,0,0,0|2,0,0]=3 1330 B10R0.1 CCCCCC[C@H](C)NCF 671a3cb7ae7441d5f691c3efc0d5635f [0,1,0,0,0,0|3,0,0]=4 1331 B10R0.1 CCCCCC[C@H](C)NCO 20d4493c05272b231e6dc0965c3b46e9 [0,1,0,0,0,0|3,0,0]=4 1332 B10R0.1 CCCCCC[C@H](C)OCC 2bb6b456a8080df3ef2c68e70ba1062c [0,1,0,0,0,0|2,0,0]=3 1333 B10R0.1 CCCCCC[C@H](C)OCF 91cb64a83cdd4d2c0a4ffe3b65dd171d [0,1,0,0,0,0|3,0,0]=4 1334 B10R0.1 CCCCCNC(=O)CCC cd3617b761f054cae655d3c214537a01 [0,1,0,0,0,0|1,0,1]=3 1335 B10R0.1 CCCCCNC(=O)CCF 8f55dcb051c9e4fa4d8e7353d886739d [0,1,0,0,0,0|2,0,1]=4 1336 B10R0.1 CCCCCNC(=O)CCO e4a8972fa724b6f0f9b4d6b3c835d2fb [0,1,0,0,0,0|2,0,1]=4 1337 B10R0.1 CCCCCNC(=O)CCS 3733c740ac8be76287971250e938eadf [0,1,0,0,0,0|2,0,1]=4 1338 B10R0.1 CCCCCNC(=O)COC 3c827a5b8568a226ab9d7a96910886e4 [0,1,0,0,0,0|2,0,1]=4 1339 B10R0.1 CCCCCNC(=O)CSC a633d95815fa33f04c44be165a312304 [0,1,0,0,0,0|2,0,1]=4 1340 B10R0.1 CCCCCNC(C)CC#N 6f4d7cde03153f0add1077c72e0ee828 [0,1,0,0,0,0|2,0,1]=4 1341 B10R0.1 CCCCCNC(C)CCC 26d51ec122f46d71a5a747b600912d97 [0,1,0,0,0,0|1,0,0]=2 1342 B10R0.1 CCCCCNC(C)CCO 0af95b0209b91c7c9df837f2d0d181b7 [0,1,0,0,0,0|2,0,0]=3 1343 B10R0.1 CCCCCNC(C)COC 0a0238b0c1bde1666e9fcbfe911d4dc6 [0,1,0,0,0,0|2,0,0]=3 1344 B10R0.1 CCCCCN[C@@H](C)CCC e8a554d0748c7efb659626f73b094a1c [0,1,0,0,0,0|1,0,0]=2 1345 B10R0.1 CCCCCN[C@@H](C)CCO d9f5bb398f85cd2650e953535831e9d4 [0,1,0,0,0,0|2,0,0]=3 1346 B10R0.1 CCCCCN[C@@H](C)COC e14a0baec399bcec3e05437de6290ee0 [0,1,0,0,0,0|2,0,0]=3 1347 B10R0.1 CCCCCN[C@H](C)CCO b61e351a9df13c13ce0f36d9542a4c70 [0,1,0,0,0,0|2,0,0]=3 1348 B10R0.1 CCCCCN[C@H](C)COC e2b6ed0b3c10b6a2724f7f5022dd73de [0,1,0,0,0,0|2,0,0]=3 1349 B10R0.1 CCCCCOC(=S)CCC e70fcd071a998201c96ff7af83897208 [0,1,0,0,0,0|0,0,1]=2 1350 B10R0.1 CCCCCOC(C)CC#N 96b12debbc57ef93cfbb2a4108793e5f [0,1,0,0,0,0|1,0,1]=3 1351 B10R0.1 CCCCCOC(C)CCC 95598e4482fa2acf5532e4fa9a6ad6e3 [0,1,0,0,0,0|0,0,0]=1 1352 B10R0.1 CCCCCOC(C)COC 4855ebeba5ed880120fa9c52b918eb9f [0,1,0,0,0,0|1,0,0]=2 1353 B10R0.1 CCCCCOC(C)CSC 57aa4510167397fc6ff7745996a55dff [0,1,0,0,0,0|1,0,0]=2 1354 B10R0.1 CCCCCO[C@@H](C)CC#N c489734caa9c2033018c883754e50f6b [0,1,0,0,0,0|1,0,1]=3 1355 B10R0.1 CCCCCO[C@@H](C)CCC d796f1fbb42029d496f1afefad90a0c9 [0,1,0,0,0,0|0,0,0]=1 1356 B10R0.1 CCCCCO[C@@H](C)COC c4d8dfc216e3f69fad9549a432253a27 [0,1,0,0,0,0|1,0,0]=2 1357 B10R0.1 CCCCCO[C@H](C)CC#N 1f0f124b78332688664b4ec8971dddf4 [0,1,0,0,0,0|1,0,1]=3 1358 B10R0.1 CCCCCO[C@H](C)CCC 8ec1919c97beba8a5a1b87817d43e6ed [0,1,0,0,0,0|0,0,0]=1 1359 B10R0.1 CCCCCO[C@H](C)COC 0ae3dae26efd3344d37fa479699c90ec [0,1,0,0,0,0|1,0,0]=2 1360 B10R0.1 CCCCNCC(=O)CCC 453fddd4efd403580a47150fb6a1b943 [0,1,0,0,0,0|1,0,1]=3 1361 B10R0.1 CCCCNCC(=O)COC c8c6b69bbcb048c0297d4859878c7a37 [0,1,0,0,0,0|2,0,1]=4 1362 B10R0.1 CCCCNCC(=O)NCC a218683c63b1bb6bc4fada805a19d3fa [0,1,0,0,0,0|2,0,1]=4 1363 B10R0.1 CCCCNCC(=O)OCC b97c56bc755b41308bd27845c7930d51 [0,1,0,0,0,0|2,0,1]=4 1364 B10R0.1 CCCCNCC(C)CCC 4f59e86f407e5a8df9a836ce6955135c [0,1,0,0,0,0|1,0,0]=2 1365 B10R0.1 CCCCNCC(C)CCO 097c1f52be1aa6e746f96545bd01501d [0,1,0,0,0,0|2,0,0]=3 1366 B10R0.1 CCCCNCC(C)OCC 4de8c7dc25725cb634524f80ed919150 [0,1,0,0,0,0|2,0,0]=3 1367 B10R0.1 CCCCNCC(O)CC#N b1370cd254ccbed726c9bf82aa7e7d5b [0,1,0,0,0,0|2,0,1]=4 1368 B10R0.1 CCCCNCC(O)CCC 6bd7c0c81aa28ae46438b3751e240977 [0,1,0,0,0,0|1,0,0]=2 1369 B10R0.1 CCCCNCC(O)COC 7b5f5610d7eca243d36cbaf05aadb482 [0,1,0,0,0,0|2,0,0]=3 1370 B10R0.1 CCCCNC[C@@H](O)CC#N 1fa63d068736a12307e3d95edf789ee0 [0,1,0,0,0,0|2,0,1]=4 1371 B10R0.1 CCCCNC[C@@H](O)CCO e972ff3716e8c6733ef85d91fc247bec [0,1,0,0,0,0|2,0,0]=3 1372 B10R0.1 CCCCNC[C@H](O)CC#N 05ec76edeb9ef4b60c6671fdd3e6eb17 [0,1,0,0,0,0|2,0,1]=4 1373 B10R0.1 CCCCNC[C@H](O)COC 27154edb12fa24bcbd6a29dd3fd612e3 [0,1,0,0,0,0|2,0,0]=3 1374 B10R0.1 CCCCOCC(=O)CCC 3c18382cf685be3b48662cc000c9f11f [0,1,0,0,0,0|0,0,1]=2 1375 B10R0.1 CCCCOCC(=O)COC 5492555264028ec97fd6f9a9065a58cf [0,1,0,0,0,0|1,0,1]=3 1376 B10R0.1 CCCCOCC(=O)NCC 1a816a8692edc4d39f6404d2712f2a39 [0,1,0,0,0,0|1,0,1]=3 1377 B10R0.1 CCCCOCC(=O)OCC b9d8b0969b606fca5e0d886f04b1b9a2 [0,1,0,0,0,0|1,0,1]=3 1378 B10R0.1 CCCCOCC(C)CCC 2a98bf460dddd7a4e9e45b8087a55eec [0,1,0,0,0,0|0,0,0]=1 1379 B10R0.1 CCCCOCC(C)COC 8b149b011209addf3ec860f28b78f784 [0,1,0,0,0,0|1,0,0]=2 1380 B10R0.1 CCCCOCC(C)OCC 3ab5d2e9e6f4b5b74f864cb73992a7a5 [0,1,0,0,0,0|1,0,0]=2 1381 B10R0.1 CCCCOCC(C)OCF f96ce306ebebea8c4a05c81030917d15 [0,1,0,0,0,0|2,0,0]=3 1382 B10R0.1 CCCCOCN(C)CC#N 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CCC[C@@H](C)OCCCOC 1c887a342a2e7b5a90c1aa2e3c97c3da [0,1,0,0,0,0|1,0,0]=2 1407 B10R0.1 CCC[C@@H](C)OCCCSC c3b0da73eeed24f460ad43097e8014cb [0,1,0,0,0,0|1,0,0]=2 1408 B10R0.1 CCC[C@@H](C)OCCOCC 3a42c254752838b833672be593233f0d [0,1,0,0,0,0|1,0,0]=2 1409 B10R0.1 CCC[C@@H](C)OCCSCC 45039a4155790bf73751859d1594005d [0,1,0,0,0,0|1,0,0]=2 1410 B10R0.1 CCC[C@H](C)NCCCC#N 1cc39c77d6606321e19512e059cbe96a [0,1,0,0,0,0|2,0,1]=4 1411 B10R0.1 CCC[C@H](C)NCCCC=O c42b4f5441007fcd9a22701fbcf46156 [0,1,0,0,0,0|2,0,1]=4 1412 B10R0.1 CCC[C@H](C)NCCCCF 8d2f56df89063eae09b258701bedf0a3 [0,1,0,0,0,0|2,0,0]=3 1413 B10R0.1 CCC[C@H](C)NCCCCO 19d23d717e5d19cc87a6e821662725ff [0,1,0,0,0,0|2,0,0]=3 1414 B10R0.1 CCC[C@H](C)NCCCOC 621867c6b7289896b029cafee8835c1d [0,1,0,0,0,0|2,0,0]=3 1415 B10R0.1 CCC[C@H](C)NCCCSC 4eccd4e2af51c7775bd12591ea96d89b [0,1,0,0,0,0|2,0,0]=3 1416 B10R0.1 CCC[C@H](C)NCCOCC cad2d601c9f383fcb83b768a6666f7cc [0,1,0,0,0,0|2,0,0]=3 1417 B10R0.1 CCC[C@H](C)NCCSCC 1e7ee973bd09eefe948aba962087fbc1 [0,1,0,0,0,0|2,0,0]=3 1418 B10R0.1 CCC[C@H](C)OCCCC#N 6acfe74487a1b3a4fff765c35671b080 [0,1,0,0,0,0|1,0,1]=3 1419 B10R0.1 CCC[C@H](C)OCCCC=O d6766811a44286931f53e6f6e5e0222d [0,1,0,0,0,0|1,0,1]=3 1420 B10R0.1 CCC[C@H](C)OCCCCF 1185d84c08384ef6e0aa4e601e46a47f [0,1,0,0,0,0|1,0,0]=2 1421 B10R0.1 CCC[C@H](C)OCCCOC e2e708b7d4bdaf5c1cb04b6f79671d82 [0,1,0,0,0,0|1,0,0]=2 1422 B10R0.1 CCC[C@H](C)OCCCSC 692958a2d3e2afd3539d323d4ad69d08 [0,1,0,0,0,0|1,0,0]=2 1423 B10R0.1 CCC[C@H](C)OCCOCC b689ae6df6247584becb7b7915f481aa [0,1,0,0,0,0|1,0,0]=2 1424 B10R0.1 CCC[C@H](C)OCCSCC 3b192f827edc34a5309e84248c0416dd [0,1,0,0,0,0|1,0,0]=2 1425 B10R0.1 CCNC(=O)COCCCF 6879e55a53a664dbfdf20f5ed4986686 [0,1,0,0,0,0|2,0,1]=4 1426 B10R0.1 CCNC(=O)COCCCS 09f971483aba30f1c8cfc0f9bb6ee313 [0,1,0,0,0,0|2,0,1]=4 1427 B10R0.1 CCNC(=O)COCCOC 126af58aa417d53e2decba7593c648a0 [0,1,0,0,0,0|2,0,1]=4 1428 B10R0.1 CCNC(=O)COCCSC deaff2a084443a15847ffbe142fafa63 [0,1,0,0,0,0|2,0,1]=4 1429 B10R0.1 CCNC(=O)COCOCC 10ced6eb548f01ba9d4a8f1cb1adaad1 [0,1,0,0,0,0|2,0,1]=4 1430 B10R0.1 CCOC(=O)COCCCF 9db06f731f4e085bb967620bc40e73c5 [0,1,0,0,0,0|2,0,1]=4 1431 B10R0.1 CCOC(=O)COCCCS 910154b5a69cb476fce331dfd79628e5 [0,1,0,0,0,0|2,0,1]=4 1432 B10R0.1 CCOC(=O)COCCOC 8d9669626e8f41a69132fe558212487f [0,1,0,0,0,0|2,0,1]=4 1433 B10R0.1 CCOC(=O)COCCSC 68d82d823b73c14bf81455b24058a7e8 [0,1,0,0,0,0|2,0,1]=4 1434 B10R0.1 CCOC(C)CNCCCF 3154642378774cc7ee817d2716ebf580 [0,1,0,0,0,0|3,0,0]=4 1435 B10R0.1 CCOC(C)CNCCCO 454afb3cb58b12e6160bcb24f351844a [0,1,0,0,0,0|3,0,0]=4 1436 B10R0.1 CCOC(C)CNCCCS e7e7f5f023e3e67c71c6ecae1a13658f [0,1,0,0,0,0|3,0,0]=4 1437 B10R0.1 CCOC(C)CNCCOC 03b8f4c5db52746b79c3a225b4394ea2 [0,1,0,0,0,0|3,0,0]=4 1438 B10R0.1 CCOC(C)CNCCSC 0be6a3fa4845071e2fe391176f578f6d [0,1,0,0,0,0|3,0,0]=4 1439 B10R0.1 CCOC(C)COCCC#N 0b0848e6802787387185a5f05a82fc38 [0,1,0,0,0,0|2,0,1]=4 1440 B10R0.1 CCOC(C)COCCC=O 1190822277f93ce476fae06628436ff2 [0,1,0,0,0,0|2,0,1]=4 1441 B10R0.1 CCOC(C)COCCCF fb2ac4a6098579d8ab0f086d60bdf147 [0,1,0,0,0,0|2,0,0]=3 1442 B10R0.1 CCOC(C)COCCCS 995595bacc341d75d88f40394eb58167 [0,1,0,0,0,0|2,0,0]=3 1443 B10R0.1 CCOC(C)COCCOC 520e47d56a7b5947e04d12824e70d8fe [0,1,0,0,0,0|2,0,0]=3 1444 B10R0.1 CCOC(C)COCCSC a9981fb897d699c3ab5172fe3d3ed082 [0,1,0,0,0,0|2,0,0]=3 1445 B10R0.1 CCOCCNC(C)CCO 9c4914cedc40ab63ded1828d32990628 [0,1,0,0,0,0|3,0,0]=4 1446 B10R0.1 CCOCCNC(C)COC 1831f0106780c27bcdecea2918755a55 [0,1,0,0,0,0|3,0,0]=4 1447 B10R0.1 CCOCCN[C@@H](C)CCO 5e0177a6bdc5c7bcaf8bda7df907d608 [0,1,0,0,0,0|3,0,0]=4 1448 B10R0.1 CCOCCN[C@@H](C)COC d18d16c8d92780379fa02d88ead8e5a9 [0,1,0,0,0,0|3,0,0]=4 1449 B10R0.1 CCOCCN[C@H](C)CCO 0da680b65055a623a1e4a5efa86675e8 [0,1,0,0,0,0|3,0,0]=4 1450 B10R0.1 CCOCCN[C@H](C)COC 571c2bbe67d322c1e13e5d3ac26f2abd [0,1,0,0,0,0|3,0,0]=4 1451 B10R0.1 CCOCCOC(C)CC#N ab7d6c2de905d52ab41e872170de8da8 [0,1,0,0,0,0|2,0,1]=4 1452 B10R0.1 CCOCCOC(C)COC c64049f70ad000ad36b8f2c93afc1a7f [0,1,0,0,0,0|2,0,0]=3 1453 B10R0.1 CCOCCOC(C)CSC e37b25d3e3996a90e6f4be637933ce6d [0,1,0,0,0,0|2,0,0]=3 1454 B10R0.1 CCOCCO[C@@H](C)CC#N ef0c82a78fe5b9157348439b3a4136a9 [0,1,0,0,0,0|2,0,1]=4 1455 B10R0.1 CCOCCO[C@@H](C)COC 69c1b7f223d7e36f0d2317136a34c909 [0,1,0,0,0,0|2,0,0]=3 1456 B10R0.1 CCOCCO[C@H](C)CC#N 6479b0201d6daa6f5cf44024ea356b5a [0,1,0,0,0,0|2,0,1]=4 1457 B10R0.1 CCOCCO[C@H](C)COC 1da8272b007d8b6dfe326b354d992a9d [0,1,0,0,0,0|2,0,0]=3 1458 B10R0.1 CCOCNCC(C)CCO 1df549031cca8a8d6e78107515b7526c [0,1,0,0,0,0|3,0,0]=4 1459 B10R0.1 CCOCNCC(C)OCC 444f5ae610a1b2db6adf2d3e95132010 [0,1,0,0,0,0|3,0,0]=4 1460 B10R0.1 CCOCNCC(O)COC 8eebf6a1c6a9572f9520cd8005c43a35 [0,1,0,0,0,0|3,0,0]=4 1461 B10R0.1 CCOCNC[C@H](O)COC da81aab1f05dcc56e95d5b1665779273 [0,1,0,0,0,0|3,0,0]=4 1462 B10R0.1 CCOCOCC(=O)OCC 91dce8a6e34fa8cace96e79585b8811b [0,1,0,0,0,0|2,0,1]=4 1463 B10R0.1 CCOCOCC(C)OCC 8f9c219d5e7e2c9bd1f3755ac9fb33cf [0,1,0,0,0,0|2,0,0]=3 1464 B10R0.1 CCSCCNC(C)CCO b53e6c33ff321176a0cc5b99876df30b [0,1,0,0,0,0|3,0,0]=4 1465 B10R0.1 CCSCCNC(C)COC 06360cf9cc6faab010183c42dcbb7f97 [0,1,0,0,0,0|3,0,0]=4 1466 B10R0.1 CCSCCN[C@@H](C)CCO aeb900f5aa88edc15907f16722cd08ad [0,1,0,0,0,0|3,0,0]=4 1467 B10R0.1 CCSCCN[C@@H](C)COC 154ab2517c01dfd1fde1bd3e59b04d0e [0,1,0,0,0,0|3,0,0]=4 1468 B10R0.1 CCSCCN[C@H](C)CCO 56dbecb6f91d4311c74ca5cfe609b703 [0,1,0,0,0,0|3,0,0]=4 1469 B10R0.1 CCSCCN[C@H](C)COC 00478a578c253cde42ee92c6f7479401 [0,1,0,0,0,0|3,0,0]=4 1470 B10R0.1 CCSCCOC(C)CC#N c73a073381d57b4282b2f5bbdcbbf4cd [0,1,0,0,0,0|2,0,1]=4 1471 B10R0.1 CCSCCOC(C)COC b0142cdcd2d4d81dbcc7d62cc6b2e238 [0,1,0,0,0,0|2,0,0]=3 1472 B10R0.1 CCSCCOC(C)CSC 100131d30961f632757850af12ab8e0d [0,1,0,0,0,0|2,0,0]=3 1473 B10R0.1 CCSCCO[C@@H](C)CC#N 1a89776540009e4c3c96908d60ed926f [0,1,0,0,0,0|2,0,1]=4 1474 B10R0.1 CCSCCO[C@@H](C)COC 5fcb8d5a87e5e0bb1c15e6fe972c7b86 [0,1,0,0,0,0|2,0,0]=3 1475 B10R0.1 CCSCCO[C@H](C)CC#N 7ccb64c6370d2b2acb86414891a74191 [0,1,0,0,0,0|2,0,1]=4 1476 B10R0.1 CCSCCO[C@H](C)COC a1beca207bbfafe828e1b575dd7e07d4 [0,1,0,0,0,0|2,0,0]=3 1477 B10R0.1 COCC(=O)COCCCF 1efac76f6d965af83427c8cd3db40039 [0,1,0,0,0,0|2,0,1]=4 1478 B10R0.1 COCC(=O)COCCSC c326bd99d2ec3dca71ebad02c9717b24 [0,1,0,0,0,0|2,0,1]=4 1479 B10R0.1 COCC(C)COCCC#N 2ce88bf8088c5d80bcd56225094ff4a5 [0,1,0,0,0,0|2,0,1]=4 1480 B10R0.1 COCC(C)COCCC=O 7daf752e4e17fbc691212b3da3e8cbd0 [0,1,0,0,0,0|2,0,1]=4 1481 B10R0.1 COCC(C)COCCCF 69ae8f153f071f64c3bad578a5300c2b [0,1,0,0,0,0|2,0,0]=3 1482 B10R0.1 COCC(C)COCCCS da44291546554a6365640f7d35f184de [0,1,0,0,0,0|2,0,0]=3 1483 B10R0.1 COCC(C)COCCSC 04bf8e027b6fb73d513d493936aaf22e [0,1,0,0,0,0|2,0,0]=3 1484 B10R0.1 COCC(C)NCCCCCl 9471f4f4e4366b087b81ae5f2024dad2 [0,1,0,0,0,0|3,0,0]=4 1485 B10R0.1 COCC(C)NCCCCF cea57757070dcbbdfe46689f5c07ee1e [0,1,0,0,0,0|3,0,0]=4 1486 B10R0.1 COCC(C)NCCCCO bcb4453e93d753c1fdd6a7453271247f [0,1,0,0,0,0|3,0,0]=4 1487 B10R0.1 COCC(C)NCCCCS 0c0c653d17fc57dc1898c0636d34d94d [0,1,0,0,0,0|3,0,0]=4 1488 B10R0.1 COCC(C)NCCCSC 9f3f445bf1081b1dbc84e0187b762860 [0,1,0,0,0,0|3,0,0]=4 1489 B10R0.1 COCC(C)OCCCC#N ccffc203eb624c3695a1b617f4ef23c4 [0,1,0,0,0,0|2,0,1]=4 1490 B10R0.1 COCC(C)OCCCC=O e96528c841f2cfef780eff5a92c49337 [0,1,0,0,0,0|2,0,1]=4 1491 B10R0.1 COCC(C)OCCCCF baf286a95196792cda27bcd563fab66b [0,1,0,0,0,0|2,0,0]=3 1492 B10R0.1 COCC(C)OCCCCS 7d790166683942b77257d74041173bbf [0,1,0,0,0,0|2,0,0]=3 1493 B10R0.1 COCC(C)OCCCSC d1f17912c3d1ee286f0fb6dd2fa4c15d [0,1,0,0,0,0|2,0,0]=3 1494 B10R0.1 COCC(O)CNCCCCl e76695a678fb36ca6c551c7ca8b9629a [0,1,0,0,0,0|3,0,0]=4 1495 B10R0.1 COCC(O)CNCCCF 0826a4478a1fcf798d89708c03228b68 [0,1,0,0,0,0|3,0,0]=4 1496 B10R0.1 COCC(O)CNCCCO 997d26c6204868a66c8f26d94b1bfb23 [0,1,0,0,0,0|3,0,0]=4 1497 B10R0.1 COCC(O)CNCCCS d3e7b5efb14f842237f9ab563543b090 [0,1,0,0,0,0|3,0,0]=4 1498 B10R0.1 COCC(O)CNCCSC 4e225c7ed7ef0f352fa35e60aded6e9e [0,1,0,0,0,0|3,0,0]=4 1499 B10R0.1 COCCCNC(C)CCO baf358985d40e9f6b178b46b56c0fac8 [0,1,0,0,0,0|3,0,0]=4 1500 B10R0.1 COCCCNC(C)COC 31fc4ed98456a671b9514e892cb33883 [0,1,0,0,0,0|3,0,0]=4 1501 B10R0.1 COCCCN[C@@H](C)CCO 380eb2468c2b49fab56a02eef9dca532 [0,1,0,0,0,0|3,0,0]=4 1502 B10R0.1 COCCCN[C@@H](C)COC 0661b7911b991eecedf0192d35328572 [0,1,0,0,0,0|3,0,0]=4 1503 B10R0.1 COCCCN[C@H](C)CCO 71adcb927b306642177672c9a1ffc31b [0,1,0,0,0,0|3,0,0]=4 1504 B10R0.1 COCCCN[C@H](C)COC 622b99995f1c13f385f09ff61ea769bd [0,1,0,0,0,0|3,0,0]=4 1505 B10R0.1 COCCCOC(C)CC#N ef246e0f03f6bd41bebddbf83c958347 [0,1,0,0,0,0|2,0,1]=4 1506 B10R0.1 COCCCOC(C)COC 8b24e88968a2a1ffb37c7fbe75711de6 [0,1,0,0,0,0|2,0,0]=3 1507 B10R0.1 COCCCOC(C)CSC 4c0673f918ba98dea100ce0015477c3c [0,1,0,0,0,0|2,0,0]=3 1508 B10R0.1 COCCCO[C@@H](C)CC#N c359073beafe862360aadc424d0685fa [0,1,0,0,0,0|2,0,1]=4 1509 B10R0.1 COCCCO[C@@H](C)COC 0dfa4f4a685630d6e8c1a1678f4bb881 [0,1,0,0,0,0|2,0,0]=3 1510 B10R0.1 COCCCO[C@H](C)CC#N 27617152e195bddaabe6615f85aae7a6 [0,1,0,0,0,0|2,0,1]=4 1511 B10R0.1 COCCCO[C@H](C)COC ea35bf4b40f20d58f891d60933aa6d71 [0,1,0,0,0,0|2,0,0]=3 1512 B10R0.1 COCCNCC(C)CCO b2beba310227844e359402cdf50cd024 [0,1,0,0,0,0|3,0,0]=4 1513 B10R0.1 COCCNCC(O)COC 4c244fc9abf42c46d04fd91e9d81c1b7 [0,1,0,0,0,0|3,0,0]=4 1514 B10R0.1 COCCNC[C@@H](O)CCO 57a1b92d4d56aa0537f4ccab407a5cfc [0,1,0,0,0,0|3,0,0]=4 1515 B10R0.1 COCCNC[C@H](O)COC 158f280a296caea32abf57cd281fd5d1 [0,1,0,0,0,0|3,0,0]=4 1516 B10R0.1 COCCOCC(=O)COC 8482545c4e53647501dc212160973072 [0,1,0,0,0,0|2,0,1]=4 1517 B10R0.1 COCCOCC(C)COC d9d5d8e357785467a1dad993e32d058f [0,1,0,0,0,0|2,0,0]=3 1518 B10R0.1 COCCOCN(C)CCF 115a21ad0154181cfa656a09b2553114 [0,1,0,0,0,0|3,0,0]=4 1519 B10R0.1 COCCOCN(C)CCO 92751277522e3da42eba23290840aa36 [0,1,0,0,0,0|3,0,0]=4 1520 B10R0.1 COCCOC[C@@H](C)COC f7d1c27070029afa4fa2b99f1ad517aa [0,1,0,0,0,0|2,0,0]=3 1521 B10R0.1 COCCOC[C@@H](O)CCO 31f84becb09735a5fcadb4062c0e5150 [0,1,0,0,0,0|2,0,0]=3 1522 B10R0.1 COC[C@@H](C)NCCCCF 9d66d0a39ba2ed0b3ad80020459f65bc [0,1,0,0,0,0|3,0,0]=4 1523 B10R0.1 COC[C@@H](C)NCCCCO 875c5449de0795ba3842df67faa7a697 [0,1,0,0,0,0|3,0,0]=4 1524 B10R0.1 COC[C@@H](C)NCCCSC 9bae74b94f3376f44c2fae6db63453be [0,1,0,0,0,0|3,0,0]=4 1525 B10R0.1 COC[C@@H](C)OCCCC#N dbdb65abd4693ce751940ddb2918aa54 [0,1,0,0,0,0|2,0,1]=4 1526 B10R0.1 COC[C@@H](C)OCCCC=O d956341c52949ac191ac1cad19d5f2e0 [0,1,0,0,0,0|2,0,1]=4 1527 B10R0.1 COC[C@@H](C)OCCCCF 3c236c2b2e590596655648d1da69fe22 [0,1,0,0,0,0|2,0,0]=3 1528 B10R0.1 COC[C@@H](C)OCCCSC 05da2dc05a394b6388be614d86648726 [0,1,0,0,0,0|2,0,0]=3 1529 B10R0.1 COC[C@@H](O)CNCCCF f3d8968e4a4d3fd789a8e863cfb678b3 [0,1,0,0,0,0|3,0,0]=4 1530 B10R0.1 COC[C@@H](O)CNCCCO 8ad8e075e1d17e3df42d0ff5118341c8 [0,1,0,0,0,0|3,0,0]=4 1531 B10R0.1 COC[C@@H](O)CNCCCS dafce875639e3cfe5b4d82798c92de24 [0,1,0,0,0,0|3,0,0]=4 1532 B10R0.1 COC[C@@H](O)CNCCSC a61b9d8f52db8b9edd000f1de7d01614 [0,1,0,0,0,0|3,0,0]=4 1533 B10R0.1 COC[C@H](C)COCCC#N dcd1c5649212bf69de923ec6a4920955 [0,1,0,0,0,0|2,0,1]=4 1534 B10R0.1 COC[C@H](C)COCCC=O b1b9492484b31c53b6aa2f9882dd737f [0,1,0,0,0,0|2,0,1]=4 1535 B10R0.1 COC[C@H](C)COCCCF 456cd48d748b2f88f3dde7760be8db99 [0,1,0,0,0,0|2,0,0]=3 1536 B10R0.1 COC[C@H](C)COCCCS d4a2ad10c737fbf4add332e5abf16277 [0,1,0,0,0,0|2,0,0]=3 1537 B10R0.1 COC[C@H](C)COCCSC 78c699abff3a1108b5ff5681aad87ac7 [0,1,0,0,0,0|2,0,0]=3 1538 B10R0.1 COC[C@H](C)NCCCCF 66476457b009c383c5db15468d47c498 [0,1,0,0,0,0|3,0,0]=4 1539 B10R0.1 COC[C@H](C)NCCCCO d6d1e453dde81ddf2dee895f61358b5f [0,1,0,0,0,0|3,0,0]=4 1540 B10R0.1 COC[C@H](C)NCCCSC 4732ad9ead989cd80ac59098bc75d4ef [0,1,0,0,0,0|3,0,0]=4 1541 B10R0.1 COC[C@H](C)OCCCC#N 36096401468b1ee79c42f17b049efef8 [0,1,0,0,0,0|2,0,1]=4 1542 B10R0.1 COC[C@H](C)OCCCC=O a41429c5053ff9a6523268194eca3c33 [0,1,0,0,0,0|2,0,1]=4 1543 B10R0.1 COC[C@H](C)OCCCCF e6160089b378fb6bbcc4556e94acdfbd [0,1,0,0,0,0|2,0,0]=3 1544 B10R0.1 COC[C@H](C)OCCCSC 53428136c21fb7980099fb7caee29218 [0,1,0,0,0,0|2,0,0]=3 1545 B10R0.1 CSCC(C)OCCCC#N 6cc1b1c56cd7132984ce444dcf5ee8b8 [0,1,0,0,0,0|2,0,1]=4 1546 B10R0.1 CSCC(C)OCCCC=O f323bd1be1d651333adf88924c1016ec [0,1,0,0,0,0|2,0,1]=4 1547 B10R0.1 CSCC(C)OCCCCF 237ade9cc7b5582f5a4416889b5a4127 [0,1,0,0,0,0|2,0,0]=3 1548 B10R0.1 CSCCCNC(C)CCO 60d57bd092b2745b6a7b1ac03112b0ba [0,1,0,0,0,0|3,0,0]=4 1549 B10R0.1 CSCCCN[C@@H](C)CCO 097fc55b85ce33166e2eb1151ffc584c [0,1,0,0,0,0|3,0,0]=4 1550 B10R0.1 CSCCCN[C@H](C)CCO 3f5d185b7be2d418b625071644185eb5 [0,1,0,0,0,0|3,0,0]=4 1551 B10R0.1 CSCCCOC(C)CC#N 9742998c8ed5e75756ead79f38392ee0 [0,1,0,0,0,0|2,0,1]=4 1552 B10R0.1 CSCCCOC(C)CSC ab3c4cf95d37e128cb0fc7abefa959e9 [0,1,0,0,0,0|2,0,0]=3 1553 B10R0.1 CSCCCO[C@@H](C)CC#N 70b0f7c08f96eb9d99189c6bbb772e20 [0,1,0,0,0,0|2,0,1]=4 1554 B10R0.1 CSCCCO[C@H](C)CC#N 634425ca29aa63211c2ab7b51e1e5812 [0,1,0,0,0,0|2,0,1]=4 1555 B10R0.1 CSCCNCC(C)CCO 04db6e35e1fca545789e247f0995bc9d [0,1,0,0,0,0|3,0,0]=4 1556 B10R0.1 CSCCNC[C@@H](O)CCO 9ca69e3921077f656f657554111176cb [0,1,0,0,0,0|3,0,0]=4 1557 B10R0.1 CSCCOC[C@@H](O)CCO fcea5980d0ba454fefd16179afd2e842 [0,1,0,0,0,0|2,0,0]=3 1558 B10R0.1 C[C@@H](CC#N)OCCCCF c64d019419c15677805f8e7f1b7fd57c [0,1,0,0,0,0|2,0,1]=4 1559 B10R0.1 C[C@@H](CCO)NCCCCF dc915a2f805f38051c55851dd92fc072 [0,1,0,0,0,0|3,0,0]=4 1560 B10R0.1 C[C@@H](CCO)NCCCCO a7460496eaeb851bc0df459c1b4c6f13 [0,1,0,0,0,0|3,0,0]=4 1561 B10R0.1 C[C@H](CC#N)OCCCCF 1bc16afeff0938dcbd551b29f3a4708f [0,1,0,0,0,0|2,0,1]=4 1562 B10R0.1 C[C@H](CCO)NCCCCF 1ceb97f8e272e894214ec3c2b62fe832 [0,1,0,0,0,0|3,0,0]=4 1563 B10R0.1 C[C@H](CCO)NCCCCO 95d2c02ea866a85d44625442e01fd391 [0,1,0,0,0,0|3,0,0]=4 1564 B10R0.1 N#CCCOC[C@@H](O)CCO 657eb45bda590fe72215d2dadf9cb9e9 [0,1,0,0,0,0|2,0,1]=4 1565 B10R0.1 O=CCCOC[C@@H](O)CCO 5836c0ec6724ca37a77500cd5b226d38 [0,1,0,0,0,0|2,0,1]=4 1566 B10R0.1 OCCCNC[C@@H](O)CCO 7f028eb0c7b02ae37c2122134a43ebcf [0,1,0,0,0,0|3,0,0]=4 1567 B10R0.1 OCC[C@H](O)CNCCCCl cf9b38d4650e4146a67fa3e8d27c784d [0,1,0,0,0,0|3,0,0]=4 1568 B10R0.1 OCC[C@H](O)COCCCF b167b83a4616ce82e5e7848266f629ba [0,1,0,0,0,0|2,0,0]=3 1569 B10R0.1 OCC[C@H](O)COCCCS 1436c85e8bed06ddf52b121110f14253 [0,1,0,0,0,0|2,0,0]=3 1570 B10R0.4 C#CCCCNCCC(C)C 0888fdd49328b63398c2b2c483d34ce8 [0,1,0,0,0,0|1,0,2]=4 1571 B10R0.4 C#CCCCNCCC(C)O 8f47342c1b04162fa1720f16bcbed71d [0,1,0,0,0,0|1,0,2]=4 1572 B10R0.4 C#CCCCNCC[C@@H](C)O 39c2f6ef13caa4085c2ad87f0864367a [0,1,0,0,0,0|1,0,2]=4 1573 B10R0.4 C#CCCCNCC[C@H](C)O 195b6a75a294987039f9d18a74eee9df [0,1,0,0,0,0|1,0,2]=4 1574 B10R0.4 C#CCCCOCCC(=C)C 96bc8107fb02dca0207e34cf0f787a76 [0,1,0,0,0,0|0,0,3]=4 1575 B10R0.4 C#CCCCOCCC(=O)C f5790eb6de8bb0e7b19179be71afc074 [0,1,0,0,0,0|0,0,3]=4 1576 B10R0.4 C#CCCCOCCC(C)C aefe667ce42c99de439eab71b342cc80 [0,1,0,0,0,0|0,0,2]=3 1577 B10R0.4 C#CCCCOCCC(F)F f259f19b8dc992b08d15d2918da4c098 [0,1,0,0,0,0|1,0,2]=4 1578 B10R0.4 C#CCCCOCCN(C)C 4689184da1763776c176bf143f76de4b [0,1,0,0,0,0|1,0,2]=4 1579 B10R0.4 C#CCCCOCCS(=O)C 373e81dacce642d0d06f9e24fed94611 [0,1,0,0,0,0|1,0,2]=4 1580 B10R0.4 C#CCCCOCOC(C)C 6511e93ea2c05667100f5eb5561f832e [0,1,0,0,0,0|1,0,2]=4 1581 B10R0.4 C#CCCNCCCC(C)C f5d61189db0efec0bed962bb7bfd4224 [0,1,0,0,0,0|1,0,2]=4 1582 B10R0.4 C#CCCNCCCC(C)O a4be019bdc646dae4e2eba3791e8ec1c [0,1,0,0,0,0|1,0,2]=4 1583 B10R0.4 C#CCCOCCCC(=C)C 7769c596a26fc74f9d3b80b20addfa76 [0,1,0,0,0,0|0,0,3]=4 1584 B10R0.4 C#CCCOCCCC(=O)C 1620d881c10682ededee208a294409f2 [0,1,0,0,0,0|0,0,3]=4 1585 B10R0.4 C#CCCOCCCC(C)C 36f7a928ce29a34c8f12e02545b53f06 [0,1,0,0,0,0|0,0,2]=3 1586 B10R0.4 C#CCCOCCCN(C)C ac030e7269845ae1080295e262089d6e [0,1,0,0,0,0|1,0,2]=4 1587 B10R0.4 C#CCCOCCOC(C)C d66f8eef0d1d324f4cfc2e34dbd9d9d9 [0,1,0,0,0,0|1,0,2]=4 1588 B10R0.4 C#CCCOCCSC(C)C 5581007d6f4d6a9ae22e94130e58d80e [0,1,0,0,0,0|1,0,2]=4 1589 B10R0.4 C/C(=C/COCCCCF)/Cl 2c5a9e36a1aacc8f8c5f5f30033d24b5 [0,1,0,0,0,0|1,0,2]=4 1590 B10R0.4 C/C(=C/COCCCCF)/I 9c792284315a714a0e5ab75396333a3d [0,1,0,0,0,0|1,0,2]=4 1591 B10R0.4 C/C(=C/COCCCCS)/I 7ba3c02099e18c504def4d8497787abb [0,1,0,0,0,0|1,0,2]=4 1592 B10R0.4 C/C(=C\COCCCCF)/Cl 43f358f4b273479c0b64e1480d898c08 [0,1,0,0,0,0|1,0,2]=4 1593 B10R0.4 C/C(=C\COCCCCS)/Cl a64d885bf4c3f2540da46493cb851b19 [0,1,0,0,0,0|1,0,2]=4 1594 B10R0.4 C/C=C/CCOCCC(=O)C bf0b57575115653a3e1e08bb33946b0b [0,1,0,0,0,0|0,0,3]=4 1595 B10R0.4 C/C=C/CCOCCC(C)C f5640c034060398118a01975c91c6b90 [0,1,0,0,0,0|0,0,2]=3 1596 B10R0.4 C/C=C/CCOCCN(C)C 63ced9b26b891ce700874b4db7939894 [0,1,0,0,0,0|1,0,2]=4 1597 B10R0.4 C/C=C/CCOCCS(=O)C 8304fddd16b6553aa8f4ac4697ae983f [0,1,0,0,0,0|1,0,2]=4 1598 B10R0.4 C/C=C/CCOCOC(C)C 982f44ed678b1d28e2c9da6669c33b7a [0,1,0,0,0,0|1,0,2]=4 1599 B10R0.4 C/C=C/CNCCCC(C)C 8ea535087adebc9661622b59b92f951b [0,1,0,0,0,0|1,0,2]=4 1600 B10R0.4 C/C=C/COCCCC(=O)C 15ca9d08aac912f0da1bfa7cb59ec776 [0,1,0,0,0,0|0,0,3]=4 1601 B10R0.4 C/C=C/COCCCC(C)C dceee63b70719bd3a6782d8c5a79b804 [0,1,0,0,0,0|0,0,2]=3 1602 B10R0.4 C/C=C/COCCCN(C)C c360f6e03b8204afb085564317a1fad3 [0,1,0,0,0,0|1,0,2]=4 1603 B10R0.4 C/C=C/COCCOC(C)C 3e9da2a7d87ca1344d1bd24409223ff4 [0,1,0,0,0,0|1,0,2]=4 1604 B10R0.4 C/C=C/COCCSC(C)C c38522e32b56092d1397f1c50e53f41a [0,1,0,0,0,0|1,0,2]=4 1605 B10R0.4 C/C=C\CNCCCC(C)C 37c291526964f0726253fbf5c2e58618 [0,1,0,0,0,0|1,0,2]=4 1606 B10R0.4 C/C=C\COCCCC(=O)C e4b141674307955ed1f5386cc4b2e467 [0,1,0,0,0,0|0,0,3]=4 1607 B10R0.4 C/C=C\COCCCC(C)C 2818c0eb54b205c95404aca55bedc764 [0,1,0,0,0,0|0,0,2]=3 1608 B10R0.4 C/C=C\COCCCN(C)C f6c0465c8e752656f4637e5d6022aa69 [0,1,0,0,0,0|1,0,2]=4 1609 B10R0.4 C/C=C\COCCOC(C)C 9ff67388789fae389142fd57f711b85e [0,1,0,0,0,0|1,0,2]=4 1610 B10R0.4 C/C=C\COCCSC(C)C d461cd1ea22d805c4c928b793ab4172a [0,1,0,0,0,0|1,0,2]=4 1611 B10R0.4 C=C(Br)CCOCCCCC bd4199ae2f7609ded49d0b09d8c9a6f4 [0,1,0,0,0,0|0,0,2]=3 1612 B10R0.4 C=C(Br)CCOCCCCF ec423c3c09546db0a56b5dd1e5d51a36 [0,1,0,0,0,0|1,0,2]=4 1613 B10R0.4 C=C(Br)CCOCCCOC b3ea2c798440ed6eea7a067aa421ec37 [0,1,0,0,0,0|1,0,2]=4 1614 B10R0.4 C=C(Br)CCOCCCSC 900282c6671dba3b3dbc56a5896a8753 [0,1,0,0,0,0|1,0,2]=4 1615 B10R0.4 C=C(Br)CCOCCOCC 40bda1917799c42f83bc6da759678558 [0,1,0,0,0,0|1,0,2]=4 1616 B10R0.4 C=C(Br)CCOCCSCC c1981584fb3c022f4b82810773af21bd [0,1,0,0,0,0|1,0,2]=4 1617 B10R0.4 C=C(Br)CNCOCCCC be81cdd270140d1323ac4c0d6431cadd [0,1,0,0,0,0|1,0,2]=4 1618 B10R0.4 C=C(Br)COCOCCCC f79378cb6736a5bea9ab96dcaad0286a [0,1,0,0,0,0|1,0,2]=4 1619 B10R0.4 C=C(C)CCCNCCCC 10e9d5bc2148f814ac87779b16970bb2 [0,1,0,0,0,0|1,0,1]=3 1620 B10R0.4 C=C(C)CCCNCCCCl f540489ea420c5524569228a050ee86b [0,1,0,0,0,0|2,0,1]=4 1621 B10R0.4 C=C(C)CCCNCCCO 6fb4545ffd1221f6a8807cd5a1e832fc [0,1,0,0,0,0|2,0,1]=4 1622 B10R0.4 C=C(C)CCCNCCOC d9c65d188599361437b603b9b007c6ea [0,1,0,0,0,0|2,0,1]=4 1623 B10R0.4 C=C(C)CCCNCCSC 04ecdd8acf1ad6603b77a95bbeb479ef [0,1,0,0,0,0|2,0,1]=4 1624 B10R0.4 C=C(C)CCCOC/C=C/C 5d6102dcb633cdedf4549afee657f522 [0,1,0,0,0,0|0,0,3]=4 1625 B10R0.4 C=C(C)CCCOC/C=C\C 33972d2f348a8308fece9c39a60c97b6 [0,1,0,0,0,0|0,0,3]=4 1626 B10R0.4 C=C(C)CCCOCC#CC 42d2696545a7fa5894eaa87412e789df [0,1,0,0,0,0|0,0,3]=4 1627 B10R0.4 C=C(C)CCCOCC=CC d1d4c04c7db56db70f11e4304b3fb7a7 [0,1,0,0,0,0|0,0,3]=4 1628 B10R0.4 C=C(C)CCCOCCC#N f11bc7626718fd021c31226242444e8c [0,1,0,0,0,0|1,0,2]=4 1629 B10R0.4 C=C(C)CCCOCCC=O ed87eafc11eaf7798d2059bdc7cf45c7 [0,1,0,0,0,0|1,0,2]=4 1630 B10R0.4 C=C(C)CCCOCCCC f556e23942a670bff2e32fedd43a44e3 [0,1,0,0,0,0|0,0,1]=2 1631 B10R0.4 C=C(C)CCCOCCCF fb1ca22e49dab629944c7aa2209f902a [0,1,0,0,0,0|1,0,1]=3 1632 B10R0.4 C=C(C)CCCOCCCS 89790dde51182f66982334a3deb1949e [0,1,0,0,0,0|1,0,1]=3 1633 B10R0.4 C=C(C)CCCOCCOC 3f0312a45e1ed067030fa8e02990b2c3 [0,1,0,0,0,0|1,0,1]=3 1634 B10R0.4 C=C(C)CCCOCCSC a749ddeb04d3f5de92173a618408a78a [0,1,0,0,0,0|1,0,1]=3 1635 B10R0.4 C=C(C)CCCOCOCC cfb1f2e4d292ad6bbec9e3945b66d7a7 [0,1,0,0,0,0|1,0,1]=3 1636 B10R0.4 C=C(C)CCNCCCCC 6827c3721728b6bdd5fb962e657afed6 [0,1,0,0,0,0|1,0,1]=3 1637 B10R0.4 C=C(C)CCNCCCCCl 988ee59931bccd7395f971f3fc52b91b [0,1,0,0,0,0|2,0,1]=4 1638 B10R0.4 C=C(C)CCNCCCCF b608b808f5f1abbe8b3eb0d8ec2a08f3 [0,1,0,0,0,0|2,0,1]=4 1639 B10R0.4 C=C(C)CCNCCCCO 8ed233854aa3368c8ee9924b9a675702 [0,1,0,0,0,0|2,0,1]=4 1640 B10R0.4 C=C(C)CCNCCCCS 497c221c8cd4bf33b1c9b025e8bef7f6 [0,1,0,0,0,0|2,0,1]=4 1641 B10R0.4 C=C(C)CCNCCCOC 7f37bbe15d40ae864ba95b43292254f2 [0,1,0,0,0,0|2,0,1]=4 1642 B10R0.4 C=C(C)CCNCCCSC c4b9523e1ec5747273dfc555cf39dda3 [0,1,0,0,0,0|2,0,1]=4 1643 B10R0.4 C=C(C)CCNCCOCC 1800ec5cfe4142bc612dd1f509192ae9 [0,1,0,0,0,0|2,0,1]=4 1644 B10R0.4 C=C(C)CCNCCSCC 7c73eef38dde53179af76784a65d2fc7 [0,1,0,0,0,0|2,0,1]=4 1645 B10R0.4 C=C(C)CCOC/C=C/CC 84f3b540e84600452d15a6163ab509de [0,1,0,0,0,0|0,0,3]=4 1646 B10R0.4 C=C(C)CCOC/C=C\CC 9ed972dd925dd4ccf3b4134e92015b38 [0,1,0,0,0,0|0,0,3]=4 1647 B10R0.4 C=C(C)CCOCC#CCC 0837f02185df3c52aaef65042f267b96 [0,1,0,0,0,0|0,0,3]=4 1648 B10R0.4 C=C(C)CCOCC/C=C/C 01063ad213d006c88b76c263e30e0f59 [0,1,0,0,0,0|0,0,3]=4 1649 B10R0.4 C=C(C)CCOCCC#CC 5c02489549e5f1310aad2a70f641104c [0,1,0,0,0,0|0,0,3]=4 1650 B10R0.4 C=C(C)CCOCCCC#N 1f91ac4adfa1c0781627736b44e179b7 [0,1,0,0,0,0|1,0,2]=4 1651 B10R0.4 C=C(C)CCOCCCC=O cc0abd0448d3cf923403a2e63e8e94c7 [0,1,0,0,0,0|1,0,2]=4 1652 B10R0.4 C=C(C)CCOCCCCC bd422e129da3de0d5182ac59fdf2b775 [0,1,0,0,0,0|0,0,1]=2 1653 B10R0.4 C=C(C)CCOCCCCF e4790618cb40fee49e0b6f0ad58d7a0b [0,1,0,0,0,0|1,0,1]=3 1654 B10R0.4 C=C(C)CCOCCCCS c9c1ee6054586073f927103c1494ff4d [0,1,0,0,0,0|1,0,1]=3 1655 B10R0.4 C=C(C)CCOCCCOC 9920c6fd3cea02f4ff0d9a82b6cc4f11 [0,1,0,0,0,0|1,0,1]=3 1656 B10R0.4 C=C(C)CCOCCCSC 30b64bf6cb0144e399d0d84c6208f555 [0,1,0,0,0,0|1,0,1]=3 1657 B10R0.4 C=C(C)CCOCCOCC 717eb9110ef1db276eaa8e419a3c583c [0,1,0,0,0,0|1,0,1]=3 1658 B10R0.4 C=C(C)CCOCCSCC d7f38404c9df91d4dbef07dce206e8d0 [0,1,0,0,0,0|1,0,1]=3 1659 B10R0.4 C=C(C)CNCCCCCC 57e2209f6875fc62d2bad933ad5990a8 [0,1,0,0,0,0|2,0,1]=4 1660 B10R0.4 C=C(C)CNCOCCCC 63ac43ea31441851b42c38ad22dae608 [0,1,0,0,0,0|1,0,1]=3 1661 B10R0.4 C=C(C)CNCOCCOC 93da41beab079d782ecd60006aa1be53 [0,1,0,0,0,0|2,0,1]=4 1662 B10R0.4 C=C(C)COCCCCCC 18580082a3e432d96826bd208c01f2c4 [0,1,0,0,0,0|2,0,1]=4 1663 B10R0.4 C=C(C)COCOCCCC 2e2c972b240fbb17ab6db9efb68dbea2 [0,1,0,0,0,0|1,0,1]=3 1664 B10R0.4 C=C(C)COCOCCOC 1640d93bf9ef824a56d26211a8ab969e [0,1,0,0,0,0|2,0,1]=4 1665 B10R0.4 C=C(Cl)COCOCCCC 3d7eeff6c6fd8795888ed50830545871 [0,1,0,0,0,0|1,0,2]=4 1666 B10R0.4 C=C(I)COCOCCCC fbf1d62f1f88ef6100270d3724438509 [0,1,0,0,0,0|1,0,2]=4 1667 B10R0.4 C=C=CCCOCCC(C)C b59481422e837d3891e58eab9b94d1f9 [0,1,0,0,0,0|0,0,3]=4 1668 B10R0.4 C=CCCCNCCC(C)C 0005007589438fdb1236145c530ed638 [0,1,0,0,0,0|1,0,2]=4 1669 B10R0.4 C=CCCCNCCC(C)O e8bc08af6c121e2da8cb6fdb92c90759 [0,1,0,0,0,0|1,0,2]=4 1670 B10R0.4 C=CCCCNCC[C@@H](C)O bccdf8bcf4a2299feb282b3afb3a1dca [0,1,0,0,0,0|1,0,2]=4 1671 B10R0.4 C=CCCCNCC[C@H](C)O de3500b79a77b9846290d1b0dfa6333e [0,1,0,0,0,0|1,0,2]=4 1672 B10R0.4 C=CCCCOCCC(=C)C 6c3a8f87b290a4166d12b8a787bad5de [0,1,0,0,0,0|0,0,3]=4 1673 B10R0.4 C=CCCCOCCC(=O)C aaf7df9ced6c1e3654d79565c7674c5e [0,1,0,0,0,0|0,0,3]=4 1674 B10R0.4 C=CCCCOCCC(C)C 86a7b81a4bb433dba0fd6e6ea84ce28b [0,1,0,0,0,0|0,0,2]=3 1675 B10R0.4 C=CCCCOCCC(F)F 4aa33140f9f87e67e4173e312e2cc603 [0,1,0,0,0,0|1,0,2]=4 1676 B10R0.4 C=CCCCOCCN(C)C 7e4e0a5e23b00d25b4dff63a852eedb0 [0,1,0,0,0,0|1,0,2]=4 1677 B10R0.4 C=CCCCOCCS(=O)C 2158e377773dccdcc8aa8e6d421f9057 [0,1,0,0,0,0|1,0,2]=4 1678 B10R0.4 C=CCCCOCOC(C)C 5059ef9aca7dcbff0f531b596c990640 [0,1,0,0,0,0|1,0,2]=4 1679 B10R0.4 C=CCCNCCCC(C)C 7ce9ba1054b4a337e9335b9246812a52 [0,1,0,0,0,0|1,0,2]=4 1680 B10R0.4 C=CCCNCCCC(C)O bc6faf9448115bb6b6ccb490e676e5bf [0,1,0,0,0,0|1,0,2]=4 1681 B10R0.4 C=CCCOCCCC(=C)C 2bc506b73205a6cba041a3cf60dc7a82 [0,1,0,0,0,0|0,0,3]=4 1682 B10R0.4 C=CCCOCCCC(=O)C 7747672577a9f8f405d52d673530b99e [0,1,0,0,0,0|0,0,3]=4 1683 B10R0.4 C=CCCOCCCC(C)C 3a6bbcd957c9c32347a8d6b8d0d6a6cd [0,1,0,0,0,0|0,0,2]=3 1684 B10R0.4 C=CCCOCCCN(C)C fb65c66d39eb1282cb8135372dc904ec [0,1,0,0,0,0|1,0,2]=4 1685 B10R0.4 C=CCCOCCOC(C)C 2027265c078ed4f90b904a620e835fb0 [0,1,0,0,0,0|1,0,2]=4 1686 B10R0.4 C=CCCOCCSC(C)C 358de6f78f629fea2231ca05d516b201 [0,1,0,0,0,0|1,0,2]=4 1687 B10R0.4 C=COCCOCCC(C)C 24885ea564b308730a39e174d04dd727 [0,1,0,0,0,0|1,0,2]=4 1688 B10R0.4 CC#CCCOCCC(=O)C 10965a7f1bd43c5799a088345a9da4cb [0,1,0,0,0,0|0,0,3]=4 1689 B10R0.4 CC#CCCOCCC(C)C 2b050c57d9a5f1529b4814741666d20e [0,1,0,0,0,0|0,0,2]=3 1690 B10R0.4 CC#CCCOCCN(C)C 8afbb072c69174487ec08510fb5880f6 [0,1,0,0,0,0|1,0,2]=4 1691 B10R0.4 CC#CCCOCCS(=O)C b6fc9ad0b310990ca557c4c66e9c939f [0,1,0,0,0,0|1,0,2]=4 1692 B10R0.4 CC#CCCOCOC(C)C aee30c98888da16575e4341030e0a105 [0,1,0,0,0,0|1,0,2]=4 1693 B10R0.4 CC#CCNCCCC(C)C 076affa9605350cfd37afaf5d39d9827 [0,1,0,0,0,0|1,0,2]=4 1694 B10R0.4 CC#CCNCCCC(C)O f9bb7de5955464bdb7a3578275250947 [0,1,0,0,0,0|1,0,2]=4 1695 B10R0.4 CC#CCOCCCC(=O)C 817dc83d0e6a497d6c3d28bed1f328b2 [0,1,0,0,0,0|0,0,3]=4 1696 B10R0.4 CC#CCOCCCC(C)C db86ae51514d3f4555d8c9607239338b [0,1,0,0,0,0|0,0,2]=3 1697 B10R0.4 CC#CCOCCCN(C)C 903fce233901d64e4b378dc2142f47ea [0,1,0,0,0,0|1,0,2]=4 1698 B10R0.4 CC#CCOCCOC(C)C 00fbd9fd2d3cec4238a03c88b71da813 [0,1,0,0,0,0|1,0,2]=4 1699 B10R0.4 CC#CCOCCSC(C)C fb459ae98fabc51048eecfa617ed6da3 [0,1,0,0,0,0|1,0,2]=4 1700 B10R0.4 CC(=CCCOCCCF)C ba5fe71f57d8eb6b577c592536c2ddd5 [0,1,0,0,0,0|1,0,2]=4 1701 B10R0.4 CC(=CCCOCCCS)C e56e68ca05ee93a75eb0bb465a2d5b82 [0,1,0,0,0,0|1,0,2]=4 1702 B10R0.4 CC(=CCOCCCCF)C 3dfd1597d46c8e0050df848450f29b49 [0,1,0,0,0,0|1,0,2]=4 1703 B10R0.4 CC(=CCOCCCCF)Cl e19f99179a15bf419dcdddd077d93a3c [0,1,0,0,0,0|1,0,2]=4 1704 B10R0.4 CC(=CCOCCCCF)I bd8ba1d38124e8f7e9ecfa9bd68913a2 [0,1,0,0,0,0|1,0,2]=4 1705 B10R0.4 CC(=CCOCCCCS)C db42268f59f9b2d685b7e8d0283c89d8 [0,1,0,0,0,0|1,0,2]=4 1706 B10R0.4 CC(=CCOCCCCS)Cl 98fca0088b0c91a21a1afb8e6b6ba762 [0,1,0,0,0,0|1,0,2]=4 1707 B10R0.4 CC(=CCOCCCCS)I 117b042b469841a3eb360e546b1dbe1a [0,1,0,0,0,0|1,0,2]=4 1708 B10R0.4 CC(=O)CCCNCCCCl f1625dacee073cbb4f019dbe32494f50 [0,1,0,0,0,0|2,0,1]=4 1709 B10R0.4 CC(=O)CCCNCCCO 8b11019ccb106855d75ac6c8c4c3fe63 [0,1,0,0,0,0|2,0,1]=4 1710 B10R0.4 CC(=O)CCCOCCC#N 51632f252ba12c76cfafca65076c950b [0,1,0,0,0,0|1,0,2]=4 1711 B10R0.4 CC(=O)CCCOCCC=O 03837868c30ee241350d840ba60401f3 [0,1,0,0,0,0|1,0,2]=4 1712 B10R0.4 CC(=O)CCCOCCCF e44a9d620794f28a8e038989a8cb2ae7 [0,1,0,0,0,0|1,0,1]=3 1713 B10R0.4 CC(=O)CCCOCCCS 224ce1d62cb0cc546747e7754a42aa6c [0,1,0,0,0,0|1,0,1]=3 1714 B10R0.4 CC(=O)CCNCCCCCl e92127d9f4fec06f947ca88e6cf4a50b [0,1,0,0,0,0|2,0,1]=4 1715 B10R0.4 CC(=O)CCNCCCCO 9f6c569b44bc6c4cbc16c08a781c9532 [0,1,0,0,0,0|2,0,1]=4 1716 B10R0.4 CC(=O)CCNCCCCS e5b279c159671291cf92ca332011d729 [0,1,0,0,0,0|2,0,1]=4 1717 B10R0.4 CC(=O)CCOCCCC#N 3439ab62b1a4306d077e747b17b52b3f [0,1,0,0,0,0|1,0,2]=4 1718 B10R0.4 CC(=O)CCOCCCC=O 9149a1f574a0cb9767d812b54caf8a48 [0,1,0,0,0,0|1,0,2]=4 1719 B10R0.4 CC(=O)CCOCCCCF ef2acd71a360f46e90e912d973dfe5aa [0,1,0,0,0,0|1,0,1]=3 1720 B10R0.4 CC(=O)CCOCCCCS 64f0dae486fcb36ef0baae73a313556f [0,1,0,0,0,0|1,0,1]=3 1721 B10R0.4 CC(=O)NCCOCCCF 2becad5a9f97e4fc020b39d932707461 [0,1,0,0,0,0|2,0,1]=4 1722 B10R0.4 CC(=O)NCCOCCCO 27c8507b9090ddb34bd1e400a65f0b8a [0,1,0,0,0,0|2,0,1]=4 1723 B10R0.4 CC(=O)NCCOCCCS 191fb12c2753f5ade5a99b66e3307c62 [0,1,0,0,0,0|2,0,1]=4 1724 B10R0.4 CC(=O)NCOCCCCF cad6f34847e6176f7df91d583f48dee6 [0,1,0,0,0,0|2,0,1]=4 1725 B10R0.4 CC(=O)OCCOCCCF 2a933cd1cb7eefce70344b2c7e8690c8 [0,1,0,0,0,0|2,0,1]=4 1726 B10R0.4 CC(=O)OCCOCCCS 7e37feca2385a7a728603133e92174e3 [0,1,0,0,0,0|2,0,1]=4 1727 B10R0.4 CC(=O)OCOCCCCF 1c9cd9bca1f3bbf754de3fe868d711b8 [0,1,0,0,0,0|2,0,1]=4 1728 B10R0.4 CC(=O)OCOCCCCS 33c7cb81f6187c0519a6e6fbc3514b90 [0,1,0,0,0,0|2,0,1]=4 1729 B10R0.4 CC(=O)SCCOCCCF 9935c18df2f33081a212c42d502352d8 [0,1,0,0,0,0|2,0,1]=4 1730 B10R0.4 CC(=O)SCCOCCCS 39535cd37f3d82059f56b126d11d2a7d [0,1,0,0,0,0|2,0,1]=4 1731 B10R0.4 CC(C)/C=C/COCCCF 40472238dd580a3a7f0f34e6400c67a4 [0,1,0,0,0,0|1,0,2]=4 1732 B10R0.4 CC(C)/C=C/COCCCS 19dab265bdfe4ea5183cc1cdabbf9cbd [0,1,0,0,0,0|1,0,2]=4 1733 B10R0.4 CC(C)CCCCCNCF 3746380c787c91d3238a683ee5a311d9 [0,1,0,0,0,0|3,0,0]=4 1734 B10R0.4 CC(C)CCCCCNCO 5b099e310508ef1ecc4235c7485b4ac4 [0,1,0,0,0,0|3,0,0]=4 1735 B10R0.4 CC(C)CCCCCOCF d85313f599d9d9fffded79153923f3d2 [0,1,0,0,0,0|3,0,0]=4 1736 B10R0.4 CC(C)CCCCNCCBr ba86b8f55904f30ab4aed63df391b921 [0,1,0,0,0,0|3,0,0]=4 1737 B10R0.4 CC(C)CCCCNCCF b214396653925997332c29c4c556f3b9 [0,1,0,0,0,0|3,0,0]=4 1738 B10R0.4 CC(C)CCCCNCCI ba0d05bf9fa4b2329932b5181ae1508b [0,1,0,0,0,0|3,0,0]=4 1739 B10R0.4 CC(C)CCCCNCCO c8a319f5c5223594dde8f805c0a27676 [0,1,0,0,0,0|3,0,0]=4 1740 B10R0.4 CC(C)CCCCNCCS 88e7ec1a74165c1645d9c3f6b715d18d [0,1,0,0,0,0|3,0,0]=4 1741 B10R0.4 CC(C)CCCCOCCF 3784da788f95a661a44c6c3924a92089 [0,1,0,0,0,0|3,0,0]=4 1742 B10R0.4 CC(C)CCCCOCCS 92b82fb2c2bed3da0c1b8153f711adbf [0,1,0,0,0,0|3,0,0]=4 1743 B10R0.4 CC(C)CCCNCCC#N 038113518de3470449723e8ee2af8057 [0,1,0,0,0,0|2,0,1]=4 1744 B10R0.4 CC(C)CCCNCCC=O 7c4afadf5bc1b74ad04967af61eff995 [0,1,0,0,0,0|2,0,1]=4 1745 B10R0.4 CC(C)CCCNCCCCl 6c2281a4c40a355cb49bba5d50acc455 [0,1,0,0,0,0|2,0,0]=3 1746 B10R0.4 CC(C)CCCNCCCF 19a9cfc5e38280a364d8c0e9e53a1423 [0,1,0,0,0,0|2,0,0]=3 1747 B10R0.4 CC(C)CCCNCCCO eeb0ca79d84d6625d506ca34a673132c [0,1,0,0,0,0|2,0,0]=3 1748 B10R0.4 CC(C)CCCNCCCS 96a91ec1f2d089739b4e3c91fc10871f [0,1,0,0,0,0|2,0,0]=3 1749 B10R0.4 CC(C)CCCNCCON af0c3aaf084a246cbc168ec9d77fd39d [0,1,0,0,0,0|3,0,0]=4 1750 B10R0.4 CC(C)CCCOC/C=C/Cl 51c02614991103f3d20d9f077864bd25 [0,1,0,0,0,0|1,0,2]=4 1751 B10R0.4 CC(C)CCCOC/C=C\Cl ab8155dd05b904a3f6adcbb57e445903 [0,1,0,0,0,0|1,0,2]=4 1752 B10R0.4 CC(C)CCCOCC#CI b0058233fcd382f3b13c60664ad13774 [0,1,0,0,0,0|1,0,2]=4 1753 B10R0.4 CC(C)CCCOCC=CCl 5e3f6f70c43b70fe32f98af944f0e8b3 [0,1,0,0,0,0|1,0,2]=4 1754 B10R0.4 CC(C)CCCOCCC#N 4ce63b7d29b3907d7645ad249f36ea82 [0,1,0,0,0,0|1,0,1]=3 1755 B10R0.4 CC(C)CCCOCCC=O c80a126c6e8bd4c58a2b1ff8881f26c2 [0,1,0,0,0,0|1,0,1]=3 1756 B10R0.4 CC(C)CCCOCCCF 32842131dd4e6bae299a603c9aafafad [0,1,0,0,0,0|1,0,0]=2 1757 B10R0.4 CC(C)CCCOCCCS 472aca12f415ca7a7f3024c60328c53c [0,1,0,0,0,0|1,0,0]=2 1758 B10R0.4 CC(C)CCCOCSC#N 1bfb712b8521afd5f2374f489cf42e37 [0,1,0,0,0,0|2,0,1]=4 1759 B10R0.4 CC(C)CCNCCCC#N fc637e4091d8fa64abe63d6d58568949 [0,1,0,0,0,0|2,0,1]=4 1760 B10R0.4 CC(C)CCNCCCC=O 538feaabe07ab109f0bd87ebe9c0815f [0,1,0,0,0,0|2,0,1]=4 1761 B10R0.4 CC(C)CCNCCCCCl a0bfeb808c69c5fb233e14b27f25bd61 [0,1,0,0,0,0|2,0,0]=3 1762 B10R0.4 CC(C)CCNCCCCF 9f958522557d9264029fdac8096162f9 [0,1,0,0,0,0|2,0,0]=3 1763 B10R0.4 CC(C)CCNCCCCO 71fbd2989259325f3110820709fb8e95 [0,1,0,0,0,0|2,0,0]=3 1764 B10R0.4 CC(C)CCNCCCCS 88258554fcb471105958a571b73dd041 [0,1,0,0,0,0|2,0,0]=3 1765 B10R0.4 CC(C)CCOCCCC#N fffc7c35c2f0a5ca9bdbcb761640cdf0 [0,1,0,0,0,0|1,0,1]=3 1766 B10R0.4 CC(C)CCOCCCC=O 6a43417d5a08c6d5588e290a5c76bbb5 [0,1,0,0,0,0|1,0,1]=3 1767 B10R0.4 CC(C)CCOCCCCF 3de101a4d68eb0f151adfa8c068bf273 [0,1,0,0,0,0|1,0,0]=2 1768 B10R0.4 CC(C)CCOCCCCS 17e650b4a93e3864db53ab282168911c [0,1,0,0,0,0|1,0,0]=2 1769 B10R0.4 CC(C)CCOCCNC=O 15d9dda46e317a1aa74ab9f015175fc8 [0,1,0,0,0,0|2,0,1]=4 1770 B10R0.4 CC(C)CCOCCOC=O e633d59f97e946f8f842b70c7c062796 [0,1,0,0,0,0|2,0,1]=4 1771 B10R0.4 CC(C)CNCCCCCCl 3d2e4da5fab45ced1576c5ea6ab53150 [0,1,0,0,0,0|3,0,0]=4 1772 B10R0.4 CC(C)CNCCCCCF dcc8ed10c7fa71263a485a38001d8bdc [0,1,0,0,0,0|3,0,0]=4 1773 B10R0.4 CC(C)CNCCCCCO d1a8d1a8e5fe429098f5d0a3be0cecd4 [0,1,0,0,0,0|3,0,0]=4 1774 B10R0.4 CC(C)COCCCCCF eb745bae9696944320ec2014e01d309a [0,1,0,0,0,0|3,0,0]=4 1775 B10R0.4 CC(C)NCCCCCCCl 7349305daff8dbfc9a56a98f676939d1 [0,1,0,0,0,0|3,0,0]=4 1776 B10R0.4 CC(C)NCCCCCCO 793bbf69ef5197e3627d029883605ec8 [0,1,0,0,0,0|3,0,0]=4 1777 B10R0.4 CC(C)NCCOCCCO c84cbda1b1fdf0d07a8a499e759513ef [0,1,0,0,0,0|2,0,0]=3 1778 B10R0.4 CC(C)NCCOCCON 2d8a5f095f29332335974f16cceed06b [0,1,0,0,0,0|3,0,0]=4 1779 B10R0.4 CC(C)OCCCCCCF 88673863d6e758cd91e41315166c3cb6 [0,1,0,0,0,0|3,0,0]=4 1780 B10R0.4 CC(C)OCCCCCCS ab6146c30514ddd5b8724827f23a3953 [0,1,0,0,0,0|3,0,0]=4 1781 B10R0.4 CC(C)OCCNCCCCl a9c26a1258b1b7edab5850c7aee16aa2 [0,1,0,0,0,0|3,0,0]=4 1782 B10R0.4 CC(C)OCCNCCCF 297970171fa4dbf38849f9f5599a119f [0,1,0,0,0,0|3,0,0]=4 1783 B10R0.4 CC(C)OCCNCCCO 1223c1ad740245aa00629be3ce178a5a [0,1,0,0,0,0|3,0,0]=4 1784 B10R0.4 CC(C)OCCNCCCS 7825390c2de417a6c5159a751db9da61 [0,1,0,0,0,0|3,0,0]=4 1785 B10R0.4 CC(C)OCCOCCC#N 7bfd6e9ea1947508a9bd6472e14ab0bd [0,1,0,0,0,0|2,0,1]=4 1786 B10R0.4 CC(C)OCCOCCC=O 166183aff9f15744b2c0de2952997321 [0,1,0,0,0,0|2,0,1]=4 1787 B10R0.4 CC(C)OCCOCCCF bf069c35999420de6cda0a494b3662a8 [0,1,0,0,0,0|2,0,0]=3 1788 B10R0.4 CC(C)OCCOCCCS b87a0a413e370b11acd762987f144dfb [0,1,0,0,0,0|2,0,0]=3 1789 B10R0.4 CC(C)OCNCCCCCl 8355168e46915f74256e3ad5bd80fa00 [0,1,0,0,0,0|3,0,0]=4 1790 B10R0.4 CC(C)OCNCCCCO d538b6713d6e3a527e5d190e4a4a4843 [0,1,0,0,0,0|3,0,0]=4 1791 B10R0.4 CC(C)OCNCCCCS 353d09d6ccd7ae098cb648e74cd48333 [0,1,0,0,0,0|3,0,0]=4 1792 B10R0.4 CC(C)OCOCCCC#N 996649a0c0fc6f152e4589623a0bb837 [0,1,0,0,0,0|2,0,1]=4 1793 B10R0.4 CC(C)OCOCCCC=O 52c284c3501df39d9507409ebb49e2e4 [0,1,0,0,0,0|2,0,1]=4 1794 B10R0.4 CC(C)OCOCCCCF 9d2c07a4e5ac011b52b42851f8ce56c9 [0,1,0,0,0,0|2,0,0]=3 1795 B10R0.4 CC(C)OCOCCCCS c1b3d5327315e7202f2a3c922d0d85ff [0,1,0,0,0,0|2,0,0]=3 1796 B10R0.4 CC(C)SCCNCCCCl aaef7949762854bbff9d7330841b55cd [0,1,0,0,0,0|3,0,0]=4 1797 B10R0.4 CC(C)SCCNCCCO 40b2a51d69c04653eced45cdd59e6e35 [0,1,0,0,0,0|3,0,0]=4 1798 B10R0.4 CC(C)SCCOCCC#N 7b473cda0517d85907ef17173d2a6975 [0,1,0,0,0,0|2,0,1]=4 1799 B10R0.4 CC(C)SCCOCCC=O 94f2ce78266cebc0f83622bd8f63a72e [0,1,0,0,0,0|2,0,1]=4 1800 B10R0.4 CC(C)SCCOCCCF 58b5d9cbe6eaa4a2bf2b867ae01cb980 [0,1,0,0,0,0|2,0,0]=3 1801 B10R0.4 CC(C)SCCOCCCS 3edda1271be7729484976ad837e01805 [0,1,0,0,0,0|2,0,0]=3 1802 B10R0.4 CC(F)COCCCCCF df62180cf6e58bb955511b8b02e85d33 [0,1,0,0,0,0|3,0,0]=4 1803 B10R0.4 CC(O)CCCCNCCBr 082aa61a43b4ae24e97dc8dc27e0617b [0,1,0,0,0,0|3,0,0]=4 1804 B10R0.4 CC(O)CCCCNCCF fcad69d23d8f8b6d73e8fe73ecadf10d [0,1,0,0,0,0|3,0,0]=4 1805 B10R0.4 CC(O)CCCCNCCI 09c72fb600d7103fca29c52ed7574123 [0,1,0,0,0,0|3,0,0]=4 1806 B10R0.4 CC(O)CCCCNCCO 96ac3f35be2ba96964968bf323d9528d [0,1,0,0,0,0|3,0,0]=4 1807 B10R0.4 CC(O)CCCCNCCS 59ba7dabda2b2948401e41a344a5416c [0,1,0,0,0,0|3,0,0]=4 1808 B10R0.4 CC(O)CCCNCCC#N c83e14a8fba729d03fa2d05031f57de3 [0,1,0,0,0,0|2,0,1]=4 1809 B10R0.4 CC(O)CCCNCCCCl 9c73c18991be2cecb23fd6845fd71184 [0,1,0,0,0,0|2,0,0]=3 1810 B10R0.4 CC(O)CCCNCCCO 241e3e1148b49054f259a4ddacea48eb [0,1,0,0,0,0|2,0,0]=3 1811 B10R0.4 CC(O)CCCNCCON 1ecee827c8cde4e6c14128eb50d6789e [0,1,0,0,0,0|3,0,0]=4 1812 B10R0.4 CC(O)CCNCCCC#N 0d6d1d1d63a255981193fb50ca20e35d [0,1,0,0,0,0|2,0,1]=4 1813 B10R0.4 CC(O)CCNCCCC=O 7500c054765207ac380080e77680f394 [0,1,0,0,0,0|2,0,1]=4 1814 B10R0.4 CC(O)CCNCCCCCl 012cc92abe043a1075336b235b2541f8 [0,1,0,0,0,0|2,0,0]=3 1815 B10R0.4 CC(O)CCNCCCCF f1a44121d0a1c93486e40096f2c41443 [0,1,0,0,0,0|2,0,0]=3 1816 B10R0.4 CC(O)CCNCCCCO b59c8b3cfc77a09216e14ef55d7f056e [0,1,0,0,0,0|2,0,0]=3 1817 B10R0.4 CC(O)CCNCCCCS a99e8933301e024e39186feb2449ca31 [0,1,0,0,0,0|2,0,0]=3 1818 B10R0.4 CC(O)CNCCCCCCl 24183013a514e071995d76af67113767 [0,1,0,0,0,0|3,0,0]=4 1819 B10R0.4 CC(O)CNCCCCCF 3dc2b7902c178afc86e568248171ebbe [0,1,0,0,0,0|3,0,0]=4 1820 B10R0.4 CC(O)CNCCCCCO 5cbb8fc264125b25339100f6507f43cc [0,1,0,0,0,0|3,0,0]=4 1821 B10R0.4 CC(S)COCCCCCF 12cc684406b8652f26ec730a9d08d8c0 [0,1,0,0,0,0|3,0,0]=4 1822 B10R0.4 CC/C=C/CNCCC(C)C a556bfef6249098061a61388b942e26e [0,1,0,0,0,0|1,0,2]=4 1823 B10R0.4 CC/C=C/CNCCC(C)O 19fc2e557c2e68b8328150d4367a9e17 [0,1,0,0,0,0|1,0,2]=4 1824 B10R0.4 CC/C=C/CNCC[C@@H](C)O f5efa5365c30802ead22bd2ad334889a [0,1,0,0,0,0|1,0,2]=4 1825 B10R0.4 CC/C=C/CNCC[C@H](C)O 92b6206a6024aecd21b4b42a0fb61f02 [0,1,0,0,0,0|1,0,2]=4 1826 B10R0.4 CC/C=C/COCCC(=O)C 2dc1865446afb33ed37e07b902852ecb [0,1,0,0,0,0|0,0,3]=4 1827 B10R0.4 CC/C=C/COCCC(C)C 6e8cca9024de107188fad0f238a58932 [0,1,0,0,0,0|0,0,2]=3 1828 B10R0.4 CC/C=C/COCCC(F)F 2476542686ef2b21bfe37d3da7427abf [0,1,0,0,0,0|1,0,2]=4 1829 B10R0.4 CC/C=C/COCCN(C)C 07e47c2d57803e9074941a2350273672 [0,1,0,0,0,0|1,0,2]=4 1830 B10R0.4 CC/C=C/COCCS(=O)C a70430ae644b5387fe022c15805a1533 [0,1,0,0,0,0|1,0,2]=4 1831 B10R0.4 CC/C=C/COCOC(C)C 133db1de707a62307b438fc108cb5faa [0,1,0,0,0,0|1,0,2]=4 1832 B10R0.4 CC/C=C\COCCC(=O)C 04919423a318ab1488e818904079b6e6 [0,1,0,0,0,0|0,0,3]=4 1833 B10R0.4 CC/C=C\COCCC(C)C ebd84b9ce2c3d5a99a0edd16df9710a9 [0,1,0,0,0,0|0,0,2]=3 1834 B10R0.4 CC/C=C\COCCN(C)C 4d0a06a0bf54556de1b4cb5096f5f89c [0,1,0,0,0,0|1,0,2]=4 1835 B10R0.4 CC/C=C\COCCS(=O)C 8ef214fdd4df90d130193ee7045a9d0e [0,1,0,0,0,0|1,0,2]=4 1836 B10R0.4 CC/C=C\COCOC(C)C 94fc88f14afab2397670fd8af9cc69e9 [0,1,0,0,0,0|1,0,2]=4 1837 B10R0.4 CC=CCNCCCC(C)C 8b4b36d9338b33cc8a63aa9a6286fb9d [0,1,0,0,0,0|1,0,2]=4 1838 B10R0.4 CC=CCNCCCC(C)O 7d9efee94ec02dcbd0cb83703dda5dcc [0,1,0,0,0,0|1,0,2]=4 1839 B10R0.4 CC=CCOCCCC(=O)C d123e87caa80ee11e37d22666bf25e99 [0,1,0,0,0,0|0,0,3]=4 1840 B10R0.4 CC=CCOCCCC(C)C 69e4ba7257346938984c2c9122d99ebd [0,1,0,0,0,0|0,0,2]=3 1841 B10R0.4 CC=CCOCCCN(C)C fa18296881c587a2a2088c0f2fca77a2 [0,1,0,0,0,0|1,0,2]=4 1842 B10R0.4 CC=CCOCCOC(C)C 0a5a597d0e256ae7aae79936ba9515b1 [0,1,0,0,0,0|1,0,2]=4 1843 B10R0.4 CC=CCOCCSC(C)C d936c45a92b3804dc03b7f7a493f440f [0,1,0,0,0,0|1,0,2]=4 1844 B10R0.4 CCC#CCNCCC(C)C 871f68b749664feab3ee53984286bfd1 [0,1,0,0,0,0|1,0,2]=4 1845 B10R0.4 CCC#CCNCCC(C)O c0998a5868f82bc6e6b4ca9fbcf8fc6f [0,1,0,0,0,0|1,0,2]=4 1846 B10R0.4 CCC#CCNCC[C@@H](C)O 0fe463ed42d08d6d1d5424362eee3134 [0,1,0,0,0,0|1,0,2]=4 1847 B10R0.4 CCC#CCNCC[C@H](C)O 7f0526c93846760efbfed19fc26e33a6 [0,1,0,0,0,0|1,0,2]=4 1848 B10R0.4 CCC#CCOCCC(=O)C a0252c900749b769c6960dccf0e3b70f [0,1,0,0,0,0|0,0,3]=4 1849 B10R0.4 CCC#CCOCCC(C)C d68f65b983b96ddefe69d372ee6bec08 [0,1,0,0,0,0|0,0,2]=3 1850 B10R0.4 CCC#CCOCCC(F)F 1b26adf77c5a671b858dfa6b19f60b59 [0,1,0,0,0,0|1,0,2]=4 1851 B10R0.4 CCC#CCOCCN(C)C 3a051a3ddba938fc75ecdeffec3c89f3 [0,1,0,0,0,0|1,0,2]=4 1852 B10R0.4 CCC#CCOCCS(=O)C 9324d7a02e2b19eefdd66b6c93255b2a [0,1,0,0,0,0|1,0,2]=4 1853 B10R0.4 CCC#CCOCOC(C)C 166b11dec1124d628e79b985e6be9a5d [0,1,0,0,0,0|1,0,2]=4 1854 B10R0.4 CCC/C=C/CNCC(C)C bf33c18b32fc4f099004cfa5dc97b5dc [0,1,0,0,0,0|2,0,1]=4 1855 B10R0.4 CCC/C=C/CNCC(C)O 88f4b9025d580f29c24456f15851a0eb [0,1,0,0,0,0|2,0,1]=4 1856 B10R0.4 CCC/C=C/CNC[C@@H](C)O 90fe731cc95a1bb87094f7ebc8d7568b [0,1,0,0,0,0|2,0,1]=4 1857 B10R0.4 CCC/C=C/CNC[C@H](C)O e0cd0f48aaec74442b1334061bd158b2 [0,1,0,0,0,0|2,0,1]=4 1858 B10R0.4 CCC/C=C/COCC(C)C 6aee71388aa393a00f90feabc9db34d1 [0,1,0,0,0,0|2,0,1]=4 1859 B10R0.4 CCC/C=C/COCC(C)F aa78cce1831b7a69d0dfafcfacf38862 [0,1,0,0,0,0|2,0,1]=4 1860 B10R0.4 CCC/C=C/COCC(C)S 58fe6b7b04b1178d6321b697f5da9208 [0,1,0,0,0,0|2,0,1]=4 1861 B10R0.4 CCC/C=C/COC[C@@H](C)F 37fb6827cd1dd490e069c28b40ee7de3 [0,1,0,0,0,0|2,0,1]=4 1862 B10R0.4 CCC/C=C/COC[C@H](C)F ff53ba64e19414cdcf7bef969f6c1e96 [0,1,0,0,0,0|2,0,1]=4 1863 B10R0.4 CCC/C=C\CCOC(C)C 6439288e8c74ee1a7d86b821ddbd6d80 [0,1,0,0,0,0|2,0,1]=4 1864 B10R0.4 CCC/C=C\CNCC(C)C 26df2bb6b4cc9569a34d081650155c19 [0,1,0,0,0,0|2,0,1]=4 1865 B10R0.4 CCC/C=C\CNCC(C)O 96b16a03c90d480780a847b4ffde19d9 [0,1,0,0,0,0|2,0,1]=4 1866 B10R0.4 CCC/C=C\CNC[C@@H](C)O 375a19b3c5843ff281c17a4b98513e64 [0,1,0,0,0,0|2,0,1]=4 1867 B10R0.4 CCC/C=C\CNC[C@H](C)O 969752c5358585189315eeb63e6fb388 [0,1,0,0,0,0|2,0,1]=4 1868 B10R0.4 CCC/C=C\COCC(C)C 8260a1bdecaedee6a7bc007730d26119 [0,1,0,0,0,0|2,0,1]=4 1869 B10R0.4 CCC/C=C\COCC(C)F aa1d690e84801e639ab5ae28f6cb5391 [0,1,0,0,0,0|2,0,1]=4 1870 B10R0.4 CCC/C=C\COCC(C)S 3ffd71efe386dc2fb2d0ba39881da682 [0,1,0,0,0,0|2,0,1]=4 1871 B10R0.4 CCC/C=C\COC[C@@H](C)F 3c47a45dbaed974ece92989d2cd02162 [0,1,0,0,0,0|2,0,1]=4 1872 B10R0.4 CCC/C=C\COC[C@H](C)F 8421d12e8670db35ffce37dd95322fc7 [0,1,0,0,0,0|2,0,1]=4 1873 B10R0.4 CCCC#CCCOC(C)C f040710aed37b00e038d16143a1c15ac [0,1,0,0,0,0|2,0,1]=4 1874 B10R0.4 CCCC#CCOCC(C)C de277ae756bc16695341f7b3ab780c44 [0,1,0,0,0,0|2,0,1]=4 1875 B10R0.4 CCCC/C=C/COC(C)C f133522b904defd9d4f7505691b5978c [0,1,0,0,0,0|2,0,1]=4 1876 B10R0.4 CCCC/C=C\COC(C)C aed812dc38c902937086817c82de2767 [0,1,0,0,0,0|2,0,1]=4 1877 B10R0.4 CCCCC#CCOC(C)C 2c5e0f2cba3b7f5d130eef68afc18976 [0,1,0,0,0,0|2,0,1]=4 1878 B10R0.4 CCCCCCCNC(=O)C 7ff946498704aad8136855c3c0214f94 [0,1,0,0,0,0|2,0,1]=4 1879 B10R0.4 CCCCCCCNC(C)C 4c96ea7e499316e0ee9e00c46c63a3c1 [0,1,0,0,0,0|2,0,0]=3 1880 B10R0.4 CCCCCCCOC(C)C 27a0a967f36a71c677ab3969b10f24e8 [0,1,0,0,0,0|2,0,0]=3 1881 B10R0.4 CCCCCCNCC(=O)C e3842b8fd2cae14899e78886113beba0 [0,1,0,0,0,0|2,0,1]=4 1882 B10R0.4 CCCCCCNCC(C)C 1a2401845907eef233dd59227daa3a68 [0,1,0,0,0,0|2,0,0]=3 1883 B10R0.4 CCCCCCNCC(C)O ecfd31bbb27d5c1b28261e6fc506454e [0,1,0,0,0,0|2,0,0]=3 1884 B10R0.4 CCCCCCNCC(F)F 51de30cede759daf5c5775a3c38fc031 [0,1,0,0,0,0|3,0,0]=4 1885 B10R0.4 CCCCCCNCN(C)C 26324c882932f0cac86240d88ad97394 [0,1,0,0,0,0|3,0,0]=4 1886 B10R0.4 CCCCCCNC[C@@H](C)O a3e47df10174193eaf313b4168d20a56 [0,1,0,0,0,0|2,0,0]=3 1887 B10R0.4 CCCCCCNC[C@H](C)O 2eab26b642fa93ab5109cc9827db8367 [0,1,0,0,0,0|2,0,0]=3 1888 B10R0.4 CCCCCCOCC(=O)C c622979e72a3edd318802db3f6123eee [0,1,0,0,0,0|2,0,1]=4 1889 B10R0.4 CCCCCCOCC(C)C b37c8621ec273a7e26019a803a340e20 [0,1,0,0,0,0|2,0,0]=3 1890 B10R0.4 CCCCCCOCC(C)F dd97ca256682a6fda25577541eecbd12 [0,1,0,0,0,0|2,0,0]=3 1891 B10R0.4 CCCCCCOCC(C)S acb8c91dce03e86d867592ce1fe72f17 [0,1,0,0,0,0|2,0,0]=3 1892 B10R0.4 CCCCCCOCC(F)F a26442e14ba2eb739a794efc864e9e28 [0,1,0,0,0,0|3,0,0]=4 1893 B10R0.4 CCCCCCOCN(C)C fae992de96d645d231407619a49196c0 [0,1,0,0,0,0|3,0,0]=4 1894 B10R0.4 CCCCCCOC[C@@H](C)F 1f30b59f94e8f4e91c0bf18fdb80d473 [0,1,0,0,0,0|2,0,0]=3 1895 B10R0.4 CCCCCCOC[C@H](C)F 3be682a709018eb770bbeb667cf57929 [0,1,0,0,0,0|2,0,0]=3 1896 B10R0.4 CCCCCNC/C=C(/C)\I 888f407c9912c682883282c5fa449bc3 [0,1,0,0,0,0|1,0,2]=4 1897 B10R0.4 CCCCCNC/C=C(\C)/Cl 177e0edb752142a6e20de7fca3adb5b2 [0,1,0,0,0,0|1,0,2]=4 1898 B10R0.4 CCCCCNCC=C(C)C 86a525cd8e4a6b34c066789a57566e47 [0,1,0,0,0,0|1,0,2]=4 1899 B10R0.4 CCCCCNCC=C(C)Cl 50118f3abc69b2d8e563f0002063ccb1 [0,1,0,0,0,0|1,0,2]=4 1900 B10R0.4 CCCCCNCC=C(C)I b6202e36bf5cc884706cc14a806fb748 [0,1,0,0,0,0|1,0,2]=4 1901 B10R0.4 CCCCCNCCC(=O)C 2bb7295af3afb64defefb63687bea421 [0,1,0,0,0,0|1,0,1]=3 1902 B10R0.4 CCCCCNCCC(=O)N da2ae5cebf00ff2bc6648f8e9deea068 [0,1,0,0,0,0|2,0,1]=4 1903 B10R0.4 CCCCCNCCC(=O)O c651e7e992c1332ced5d27852e6267f0 [0,1,0,0,0,0|2,0,1]=4 1904 B10R0.4 CCCCCNCCC(=S)N 57b8a362f1c0fd1078f9dcd4c9c7bfb9 [0,1,0,0,0,0|2,0,1]=4 1905 B10R0.4 CCCCCNCCC(C)C 2083eb70c05c1741486a9f522b36bddf [0,1,0,0,0,0|1,0,0]=2 1906 B10R0.4 CCCCCNCCC(C)O 4e6a420569190052d94ccc1ca80cf85c [0,1,0,0,0,0|1,0,0]=2 1907 B10R0.4 CCCCCNCCC(F)F 2f119b6c8f73dfa1dd588f26a6cdc939 [0,1,0,0,0,0|2,0,0]=3 1908 B10R0.4 CCCCCNCCN(C)C d883db9ee430a1f80a9c4d5349cbc7d7 [0,1,0,0,0,0|2,0,0]=3 1909 B10R0.4 CCCCCNCCS(=O)C 889c2eb0c8cfc530bc8152471af86a27 [0,1,0,0,0,0|2,0,0]=3 1910 B10R0.4 CCCCCNCCS(=O)O 40a9496c737aacfd55e5b85a03b28772 [0,1,0,0,0,0|3,0,0]=4 1911 B10R0.4 CCCCCNCC[C@@H](C)O 3f00e28351ebf7b139dd29392d26fe0f [0,1,0,0,0,0|1,0,0]=2 1912 B10R0.4 CCCCCNCC[C@H](C)O 38a781c8f9bc47db57981751900f43d6 [0,1,0,0,0,0|1,0,0]=2 1913 B10R0.4 CCCCCNCOC(=O)C 35ef47aef23a171936e6801a261865e1 [0,1,0,0,0,0|2,0,1]=4 1914 B10R0.4 CCCCCNCOC(C)C 1fe408833fe67caa85eb8f7e5ee02e44 [0,1,0,0,0,0|2,0,0]=3 1915 B10R0.4 CCCCCOC/C=C(/C)\Cl aa962184d6cd966db0085f8251712374 [0,1,0,0,0,0|0,0,2]=3 1916 B10R0.4 CCCCCOC/C=C(/C)\I 888a413f21dfbd656fc488c73a67a4d6 [0,1,0,0,0,0|0,0,2]=3 1917 B10R0.4 CCCCCOC/C=C(\C)/Cl 4c8af2dec5ba3b4dfe6107e44ddef16b [0,1,0,0,0,0|0,0,2]=3 1918 B10R0.4 CCCCCOCC=C(C)C d6a15546708c44b4ae5a35a9bc35cd2c [0,1,0,0,0,0|0,0,2]=3 1919 B10R0.4 CCCCCOCC=C(C)Cl 520db63c0e141892ce317b451f1cdca4 [0,1,0,0,0,0|0,0,2]=3 1920 B10R0.4 CCCCCOCC=C(C)I f3bc6ca17f79771d527e93998bd60d7e [0,1,0,0,0,0|0,0,2]=3 1921 B10R0.4 CCCCCOCC=C(Cl)Cl a9ef19df0da06f7529f6bc192935a65b [0,1,0,0,0,0|1,0,2]=4 1922 B10R0.4 CCCCCOCCC(=O)C 7d336bbb7dc5619074d320d9d5eeebd1 [0,1,0,0,0,0|0,0,1]=2 1923 B10R0.4 CCCCCOCCC(=O)N 3ccf202c6633a29591d963976a663b22 [0,1,0,0,0,0|1,0,1]=3 1924 B10R0.4 CCCCCOCCC(=O)O 183ac3fdf6b059104c4c0237bab12aa8 [0,1,0,0,0,0|1,0,1]=3 1925 B10R0.4 CCCCCOCCC(C)C 1aa9f5e40c826e008fbbf8f79c7f1fea [0,1,0,0,0,0|0,0,0]=1 1926 B10R0.4 CCCCCOCCC(F)F 8d7e702fe2461f122e465b548868eb7b [0,1,0,0,0,0|1,0,0]=2 1927 B10R0.4 CCCCCOCCN(C)C 316463ff546cb9d7401f931a893e13eb [0,1,0,0,0,0|1,0,0]=2 1928 B10R0.4 CCCCCOCCS(=O)C 3d066bbbe37fbbf288a2e425fa4215eb [0,1,0,0,0,0|1,0,0]=2 1929 B10R0.4 CCCCCOCC[N+](=O)[O-] 1b20814dc46e660675c4441c70877217 [0,1,0,0,0,0|2,0,0]=3 1930 B10R0.4 CCCCCOCNC(=O)C 3014ea30bb40b67aa6a1ce125b435cc1 [0,1,0,0,0,0|1,0,1]=3 1931 B10R0.4 CCCCCOCNC(=O)N 878e32bdf57fabeb01ffaf0ffaaa0fb1 [0,1,0,0,0,0|2,0,1]=4 1932 B10R0.4 CCCCCOCOC(=O)C 62a840560a1a56a085f7882cc96ba1f5 [0,1,0,0,0,0|1,0,1]=3 1933 B10R0.4 CCCCCOCOC(C)C 1441e4efb031c4107c38c6573e1ecab4 [0,1,0,0,0,0|1,0,0]=2 1934 B10R0.4 CCCCCOCSC(=O)N e50a2eecc4d190b7254a33158f696a5a [0,1,0,0,0,0|2,0,1]=4 1935 B10R0.4 CCCCNC/C=C/C(C)C a2deef38ecabb8eebc071867bac084b2 [0,1,0,0,0,0|1,0,2]=4 1936 B10R0.4 CCCCNCCC=C(C)C d9b770f84c8be90ca1d17cd0fdf54f4c [0,1,0,0,0,0|1,0,2]=4 1937 B10R0.4 CCCCNCCCC(=O)C a2bda33665ed49237506dfdf7a5fb684 [0,1,0,0,0,0|1,0,1]=3 1938 B10R0.4 CCCCNCCCC(=O)N 87f3fa3fa2631822b8cd0b48fa13e9d9 [0,1,0,0,0,0|2,0,1]=4 1939 B10R0.4 CCCCNCCCC(=O)O 638f7b21d5bd5641b607514c8fb8caf4 [0,1,0,0,0,0|2,0,1]=4 1940 B10R0.4 CCCCNCCCC(C)C 1e31d9dbabf6be9187dab46866ffb34e [0,1,0,0,0,0|1,0,0]=2 1941 B10R0.4 CCCCNCCCC(C)O e267dad3accc230faa3bc9e16d970474 [0,1,0,0,0,0|1,0,0]=2 1942 B10R0.4 CCCCNCCCN(C)C a9ece33d88b6945bef9242ad3211e89b [0,1,0,0,0,0|2,0,0]=3 1943 B10R0.4 CCCCNCCCS(=O)C 362c770b2b09d0f84e497dc89cd0ad5b [0,1,0,0,0,0|2,0,0]=3 1944 B10R0.4 CCCCNCCC[N+](=O)[O-] 9badc35f02019bf5a2d94b33d537eb49 [0,1,0,0,0,0|3,0,0]=4 1945 B10R0.4 CCCCNCCNC(=O)C a0257fcf7897366323909d66114b6809 [0,1,0,0,0,0|2,0,1]=4 1946 B10R0.4 CCCCNCCOC(=O)C dac752d37b046d20aa6fa7632de515a6 [0,1,0,0,0,0|2,0,1]=4 1947 B10R0.4 CCCCNCCOC(C)C e7d670cad337283426b742bab6f47ebd [0,1,0,0,0,0|2,0,0]=3 1948 B10R0.4 CCCCNCCOC(F)F 8f3bcd888f48c0cfb07392f040b56c11 [0,1,0,0,0,0|3,0,0]=4 1949 B10R0.4 CCCCNCCSC(=O)C 0ac4a109a3992122f41a3a955bc15a16 [0,1,0,0,0,0|2,0,1]=4 1950 B10R0.4 CCCCNCCSC(C)C 07f15c97252f9d8b25969fa93a0d2199 [0,1,0,0,0,0|2,0,0]=3 1951 B10R0.4 CCCCOC/C=C/C(C)C b1f2e0e0dbab8fa754580343d5eea046 [0,1,0,0,0,0|0,0,2]=3 1952 B10R0.4 CCCCOCCC=C(C)C 12c3c1f2c9c2d69ab18de77f0a3087ea [0,1,0,0,0,0|0,0,2]=3 1953 B10R0.4 CCCCOCCC=C(F)F 4247e81b97f3d644b8cc6c5e74c22a00 [0,1,0,0,0,0|1,0,2]=4 1954 B10R0.4 CCCCOCCCC(=O)C f0df1029dafc15690be3f3c094f0ad8e [0,1,0,0,0,0|0,0,1]=2 1955 B10R0.4 CCCCOCCCC(=O)N 4bd9e362912f487ea2067ef12f3cd6d1 [0,1,0,0,0,0|1,0,1]=3 1956 B10R0.4 CCCCOCCCC(C)C eabf9177db773ec6de5ecc0edcb5d082 [0,1,0,0,0,0|0,0,0]=1 1957 B10R0.4 CCCCOCCCN(C)C 3d03ebce4d0f7c18096b62da2a143ba7 [0,1,0,0,0,0|1,0,0]=2 1958 B10R0.4 CCCCOCCC[N+](=O)[O-] c60851539260d222712dcc317d0e301f [0,1,0,0,0,0|2,0,0]=3 1959 B10R0.4 CCCCOCCNC(=O)C ddcfe368ad37fbe3701a827b8b343f83 [0,1,0,0,0,0|1,0,1]=3 1960 B10R0.4 CCCCOCCNC(=O)N c72709ebb46b5df20e6ec26959a0b816 [0,1,0,0,0,0|2,0,1]=4 1961 B10R0.4 CCCCOCCNC(=S)N eff954b001d8ddbce591cf28cceeb035 [0,1,0,0,0,0|2,0,1]=4 1962 B10R0.4 CCCCOCCNC(C)C d43b4651be436e7a18a143ea0db5475c [0,1,0,0,0,0|1,0,0]=2 1963 B10R0.4 CCCCOCCOC(=O)C 8f9bbeb4cacbf148ed1331b02f645662 [0,1,0,0,0,0|1,0,1]=3 1964 B10R0.4 CCCCOCCOC(C)C 86aa7c8545daae2de2013b50e7e899da [0,1,0,0,0,0|1,0,0]=2 1965 B10R0.4 CCCCOCCOC(F)F 66dcda53389cbba830e7ef3e43f5d127 [0,1,0,0,0,0|2,0,0]=3 1966 B10R0.4 CCCCOCCSC(=O)C cd6988dd5f5d2697eb1fd4eec9b07d56 [0,1,0,0,0,0|1,0,1]=3 1967 B10R0.4 CCCCOCCSC(C)C 86724aa57c48003152df231ad69710c4 [0,1,0,0,0,0|1,0,0]=2 1968 B10R0.4 CCCCOCNCC(=O)C af2d8785a5c96c78e17462ebf7d0cbc7 [0,1,0,0,0,0|1,0,1]=3 1969 B10R0.4 CCCCOCNCC(=O)N 988bad330cf6d13d6255498b143b0d74 [0,1,0,0,0,0|2,0,1]=4 1970 B10R0.4 CCCCOCNCC(=O)O fd1573ef0e57ade41e912b86193789e2 [0,1,0,0,0,0|2,0,1]=4 1971 B10R0.4 CCCCOCNCC(C)C fbf0edd18161c9cbcdf7d0b248f3b74c [0,1,0,0,0,0|1,0,0]=2 1972 B10R0.4 CCCCOCNCC(C)O e801f8fbb8dbf94952cf78a13997aeca [0,1,0,0,0,0|1,0,0]=2 1973 B10R0.4 CCCCOCNCC(F)F 19312b58aca21e984593eceddead476e [0,1,0,0,0,0|2,0,0]=3 1974 B10R0.4 CCCCOCNC[C@@H](C)O 21eb3572cca9b48817c622887eeb3000 [0,1,0,0,0,0|1,0,0]=2 1975 B10R0.4 CCCCOCNC[C@H](C)O 06bdb6bf0acd2ace0c8a3b2a16d610e6 [0,1,0,0,0,0|1,0,0]=2 1976 B10R0.4 CCCCOCOCC(=O)C de19627aa5bea52305b73b51889c5d58 [0,1,0,0,0,0|1,0,1]=3 1977 B10R0.4 CCCCOCOCC(=O)N 926e206db980bd2c1eefa23df0a6017c [0,1,0,0,0,0|2,0,1]=4 1978 B10R0.4 CCCCOCOCC(=O)O 44a077c696800f20f8f77d9f489d7e0a [0,1,0,0,0,0|2,0,1]=4 1979 B10R0.4 CCCCOCOCC(=S)N 7bce85c79fb5c7dcd59f127bf172def2 [0,1,0,0,0,0|2,0,1]=4 1980 B10R0.4 CCCCOCOCC(C)C f76cb4f3e2df2a6ccb3df0291b6aa825 [0,1,0,0,0,0|1,0,0]=2 1981 B10R0.4 CCCCOCOCC(C)F cd34d4b694e2051b6a8d4e0268bbc610 [0,1,0,0,0,0|1,0,0]=2 1982 B10R0.4 CCCCOCOCC(C)S f3aaffcd03310a3e20b7d2fe1264264b [0,1,0,0,0,0|1,0,0]=2 1983 B10R0.4 CCCCOCOCC(F)F e4057688b7ec8b2696fc4ed19b70df5a [0,1,0,0,0,0|2,0,0]=3 1984 B10R0.4 CCCCOCOCS(=O)O 0d28fd59ab2c1caf0be048f6d50b3ee6 [0,1,0,0,0,0|3,0,0]=4 1985 B10R0.4 CCCCOCOC[C@@H](C)F ee6e73d719ed609d566c2bfe17d34d6e [0,1,0,0,0,0|1,0,0]=2 1986 B10R0.4 CCCCOCOC[C@H](C)F be928def4baac0f42dbb5257ad9f3746 [0,1,0,0,0,0|1,0,0]=2 1987 B10R0.4 CCCCSCCOC(C)C 2d09dea5ad4f2cd6b2de74e421c7a597 [0,1,0,0,0,0|1,1,0]=3 1988 B10R0.4 CCCNCCCCC(=O)C ab2c95adbd41ecce6f11ada83f1aa463 [0,1,0,0,0,0|2,0,1]=4 1989 B10R0.4 CCCNCCCCC(C)C f22e74f3c92982d86e30c1bb0f3509d3 [0,1,0,0,0,0|2,0,0]=3 1990 B10R0.4 CCCNCCCCC(C)O 2f69e7bc2a7ca500502a3e5f1c138b9b [0,1,0,0,0,0|2,0,0]=3 1991 B10R0.4 CCCNCCCCC(F)F f74b67ced21d59e110d7cf2236c9ab87 [0,1,0,0,0,0|3,0,0]=4 1992 B10R0.4 CCCNCCCCN(C)C b1a24a72e2d949934a5a6300b3a57bac [0,1,0,0,0,0|3,0,0]=4 1993 B10R0.4 CCCNCCCC[C@@H](C)O 6ce0e83e6e0d1b17039df927d769e87a [0,1,0,0,0,0|2,0,0]=3 1994 B10R0.4 CCCNCCCOC(C)C 4d860087ee5c767e715f628614b37300 [0,1,0,0,0,0|3,0,0]=4 1995 B10R0.4 CCCNCCCSC(C)C 3033d3fec1c71a1ec80a5bfa5c133572 [0,1,0,0,0,0|3,0,0]=4 1996 B10R0.4 CCCNCCOCC(C)C 938166f9aa8fdbc9fe303167e2e6357b [0,1,0,0,0,0|3,0,0]=4 1997 B10R0.4 CCCOCCCCC(=O)C fd3e516a01dea40bc28ef8e85abe7b9e [0,1,0,0,0,0|2,0,1]=4 1998 B10R0.4 CCCOCCCCC(C)C f86f1fee85db6c4439132050b4d45955 [0,1,0,0,0,0|2,0,0]=3 1999 B10R0.4 CCCOCCCCN(C)C f4bdce3025f9c0207403b9cfca0595af [0,1,0,0,0,0|3,0,0]=4 2000 B10R0.4 CCCOCCCNC(C)C 97e56004124f9f1be06a97e18672fb78 [0,1,0,0,0,0|3,0,0]=4 2001 B10R0.4 CCCOCCCOC(C)C 2860ba23bdd84f5d06b46ebf59935d79 [0,1,0,0,0,0|3,0,0]=4 2002 B10R0.4 CCCOCCCSC(C)C 45346ea51d981b2ef27e08d1180f96de [0,1,0,0,0,0|3,0,0]=4 2003 B10R0.4 CCCOCCNCC(C)C 5cd8f594d4236b2933fb695322356b2b [0,1,0,0,0,0|3,0,0]=4 2004 B10R0.4 CCCOCCNCC(C)O 883d1c984751dd118682e5292e4351b5 [0,1,0,0,0,0|3,0,0]=4 2005 B10R0.4 CCCOCCNC[C@@H](C)O 7e13fb025234b05ec2b8676f9c175057 [0,1,0,0,0,0|3,0,0]=4 2006 B10R0.4 CCCOCCNC[C@H](C)O c006c7951defa00f65e2f537374c008d [0,1,0,0,0,0|3,0,0]=4 2007 B10R0.4 CCCOCCOCC(C)C 67c7770602d90fbcb32b20089a953d09 [0,1,0,0,0,0|3,0,0]=4 2008 B10R0.4 CCCOCCOCC(C)F cfc2983fd18123640a563bc92095b11d [0,1,0,0,0,0|3,0,0]=4 2009 B10R0.4 CCCOCCOCC(C)S d255ac834fb3a033a043452b1e619ed0 [0,1,0,0,0,0|3,0,0]=4 2010 B10R0.4 CCCOCCOC[C@@H](C)F a517ceaea4e9109b99bd2e289a3b2e71 [0,1,0,0,0,0|3,0,0]=4 2011 B10R0.4 CCCOCCOC[C@H](C)F 6f3499fb7fa388136022b24ac53a6afd [0,1,0,0,0,0|3,0,0]=4 2012 B10R0.4 CCCOCCSCC(C)C 6cc0266074462b6f0c3a9145b885dd2e [0,1,0,0,0,0|3,0,0]=4 2013 B10R0.4 CCCSCCOCC(C)C 9f141e56f84160364ae0d8e664cb2e31 [0,1,0,0,0,0|3,0,0]=4 2014 B10R0.4 CCNCCCCCC(C)C 44d0ce1c493c68ed6f77d5a4ff674f45 [0,1,0,0,0,0|2,0,0]=3 2015 B10R0.4 CCNCCCCCN(C)C 9002eb7272027465e16e9a532a042d29 [0,1,0,0,0,0|3,0,0]=4 2016 B10R0.4 CCNCCCOCC(C)C 6c8467724d7ecadfe1405a3ac9f7a881 [0,1,0,0,0,0|3,0,0]=4 2017 B10R0.4 CCNCCOCCC(=O)O 8d7e5678fe9a8ff06a1e01887f882b5a [0,1,0,0,0,0|2,0,1]=4 2018 B10R0.4 CCNCCOCCN(C)C 103261264562138c65b80841bae076c7 [0,1,0,0,0,0|2,0,0]=3 2019 B10R0.4 CCOCCCCCC(C)C 4039d0e82f922e3764f8c5fcab65c456 [0,1,0,0,0,0|2,0,0]=3 2020 B10R0.4 CCOCCCCCN(C)C bbc35baeface79058032b4135cdd3719 [0,1,0,0,0,0|3,0,0]=4 2021 B10R0.4 CCOCCCNCC(C)C 4269b714007b8c9058a682bdadf364dd [0,1,0,0,0,0|3,0,0]=4 2022 B10R0.4 CCOCCCNCC(C)O ad4a068b99e57be5377ca0ec04f2bcfa [0,1,0,0,0,0|3,0,0]=4 2023 B10R0.4 CCOCCCNC[C@@H](C)O 9688c5af15787a17cb5b63018c5524b6 [0,1,0,0,0,0|3,0,0]=4 2024 B10R0.4 CCOCCCNC[C@H](C)O fdd8bce48032164768af5e2352b4e1a9 [0,1,0,0,0,0|3,0,0]=4 2025 B10R0.4 CCOCCCOCC(C)C 56e31891ef7e15ae36db42adbc2077be [0,1,0,0,0,0|3,0,0]=4 2026 B10R0.4 CCOCCCOCC(C)F cd32349fe9f84c11ac6301a75c07df26 [0,1,0,0,0,0|3,0,0]=4 2027 B10R0.4 CCOCCCOCC(C)S 79443915a3e4768d20a4312454101e5a [0,1,0,0,0,0|3,0,0]=4 2028 B10R0.4 CCOCCCOC[C@@H](C)F 6279e74916573b81c5247ec843fe4cc3 [0,1,0,0,0,0|3,0,0]=4 2029 B10R0.4 CCOCCCOC[C@H](C)F b2cf87d4b642b0d91f36a57096268de1 [0,1,0,0,0,0|3,0,0]=4 2030 B10R0.4 CCOCCCSCC(C)C 2ea844d2705023a5bc3ff7e9b984d2e6 [0,1,0,0,0,0|3,0,0]=4 2031 B10R0.4 CCOCCNCCC(=O)C 42430d43d72579f1aa89e578526bfc0d [0,1,0,0,0,0|2,0,1]=4 2032 B10R0.4 CCOCCNCCC(C)C 89a89ee936386f8d93b64a4e8411993c [0,1,0,0,0,0|2,0,0]=3 2033 B10R0.4 CCOCCNCCC(C)O b390a94d6125fd156f49fd0f55a910b8 [0,1,0,0,0,0|2,0,0]=3 2034 B10R0.4 CCOCCNCCC(F)F e0830981f63ce917de3620beaeca33fc [0,1,0,0,0,0|3,0,0]=4 2035 B10R0.4 CCOCCNCCN(C)C a3da4cd809f5a598f8f63228d4325f47 [0,1,0,0,0,0|3,0,0]=4 2036 B10R0.4 CCOCCNCCS(=O)C 41e61f51bfec89a99f4a4a6a5c12f5bd [0,1,0,0,0,0|3,0,0]=4 2037 B10R0.4 CCOCCNCC[C@@H](C)O c98bb3460e7f453f9bdc14bd282e9c29 [0,1,0,0,0,0|2,0,0]=3 2038 B10R0.4 CCOCCNCC[C@H](C)O 93fea68d3ef31be98140e19b8692c68e [0,1,0,0,0,0|2,0,0]=3 2039 B10R0.4 CCOCCNCOC(C)C 7c64e118075ae982fcb31c3eef3d8bf1 [0,1,0,0,0,0|3,0,0]=4 2040 B10R0.4 CCOCCOC/C=C(/C)\Cl 71013a9c006e20b7b5c36fb57336174f [0,1,0,0,0,0|1,0,2]=4 2041 B10R0.4 CCOCCOC/C=C(/C)\I 85b08f7cdcf08aa6fceb94e4037fe6be [0,1,0,0,0,0|1,0,2]=4 2042 B10R0.4 CCOCCOC/C=C(\C)/Cl 032dd19ab90d80c4060f0c53edc58929 [0,1,0,0,0,0|1,0,2]=4 2043 B10R0.4 CCOCCOCC=C(C)C 2e4cd8da74e14bc5ba8d929d0135573a [0,1,0,0,0,0|1,0,2]=4 2044 B10R0.4 CCOCCOCC=C(C)Cl 60007ce3305bbc7f5280ab2c1547b599 [0,1,0,0,0,0|1,0,2]=4 2045 B10R0.4 CCOCCOCC=C(C)I 4845ada2c97b6a081c9b0856cccf8d7d [0,1,0,0,0,0|1,0,2]=4 2046 B10R0.4 CCOCCOCCC(=O)C dc05f05df855c503e821df8f6f768970 [0,1,0,0,0,0|1,0,1]=3 2047 B10R0.4 CCOCCOCCC(=O)N d49dca4b1c0e0e8feb71d8f8dcfa61ce [0,1,0,0,0,0|2,0,1]=4 2048 B10R0.4 CCOCCOCCC(=O)O 96b40bef50a9547a8511d5d75c98b3cd [0,1,0,0,0,0|2,0,1]=4 2049 B10R0.4 CCOCCOCCC(C)C 923678b55c863171c27f9a49a36aeadc [0,1,0,0,0,0|1,0,0]=2 2050 B10R0.4 CCOCCOCCC(F)F 4a627a740f0859b3d56e12c58973e10c [0,1,0,0,0,0|2,0,0]=3 2051 B10R0.4 CCOCCOCCN(C)C 06deef6a26b662668a28e6ec420ccba4 [0,1,0,0,0,0|2,0,0]=3 2052 B10R0.4 CCOCCOCCS(=O)C ade7e54f3293e6481ea3b53ae3e4cb66 [0,1,0,0,0,0|2,0,0]=3 2053 B10R0.4 CCOCCOCC[N+](=O)[O-] bf4862b835674a5748d66875676e4671 [0,1,0,0,0,0|3,0,0]=4 2054 B10R0.4 CCOCCOCNC(=O)C 59aaf2f011c18b9cbd71d467bbab44b1 [0,1,0,0,0,0|2,0,1]=4 2055 B10R0.4 CCOCCOCOC(=O)C f528dc21c4c896cc3d46268104c145b0 [0,1,0,0,0,0|2,0,1]=4 2056 B10R0.4 CCOCCOCOC(C)C 11a7bbdc8ffef5b18ba0b0ab8bb3a1c6 [0,1,0,0,0,0|2,0,0]=3 2057 B10R0.4 CCOCNCCCC(C)C 5e6ec9efde5f0f0855d1731dee5f52d6 [0,1,0,0,0,0|2,0,0]=3 2058 B10R0.4 CCOCNCCCN(C)C 5bb111d514a1d4096aae4e49f464ae17 [0,1,0,0,0,0|3,0,0]=4 2059 B10R0.4 CCOCNCCOC(C)C 3bbf9da7ef3244d9b0d3a9978f533f5c [0,1,0,0,0,0|3,0,0]=4 2060 B10R0.4 CCOCOCCCC(C)C 1dba96d729202cea16ab703ee03cbd52 [0,1,0,0,0,0|1,0,0]=2 2061 B10R0.4 CCOCOCCCN(C)C 6da4af81da48c0ed0777ff8bb4a1ae7d [0,1,0,0,0,0|2,0,0]=3 2062 B10R0.4 CCOCOCCC[N+](=O)[O-] c3a09c96905a4fc118807c0c95dcaa14 [0,1,0,0,0,0|3,0,0]=4 2063 B10R0.4 CCOCOCCOC(=O)C e441b22fc4f0a21ac0be40ea2d3db001 [0,1,0,0,0,0|2,0,1]=4 2064 B10R0.4 CCOCOCCOC(C)C f1a5c3155786594d5e7c6a922c77d0e0 [0,1,0,0,0,0|2,0,0]=3 2065 B10R0.4 CCOCOCCOC(F)F 854b64c86b326c463969e7f928bcdc57 [0,1,0,0,0,0|3,0,0]=4 2066 B10R0.4 CCOCOCCSC(C)C 70a53787da36b742447a1dedeba25913 [0,1,0,0,0,0|2,0,0]=3 2067 B10R0.4 CCSCCCCNC(C)C 789b31c819ec6dbddad03b53aebd3b09 [0,1,0,0,0,0|3,0,0]=4 2068 B10R0.4 CCSCCCNCC(C)C 01d87973c6ad1a0769f6130a716f5b31 [0,1,0,0,0,0|3,0,0]=4 2069 B10R0.4 CCSCCCNCC(C)O 2ae047b03815bd8fa410b8cc27ffa5ec [0,1,0,0,0,0|3,0,0]=4 2070 B10R0.4 CCSCCCNC[C@@H](C)O eafaa085e66682b9ccc3dab441e2baba [0,1,0,0,0,0|3,0,0]=4 2071 B10R0.4 CCSCCCNC[C@H](C)O 9ef3d1db1f4c349ed8fdbbe7059f56e4 [0,1,0,0,0,0|3,0,0]=4 2072 B10R0.4 CCSCCCOCC(C)C c0db432965e6890593632b0efe05af39 [0,1,0,0,0,0|3,0,0]=4 2073 B10R0.4 CCSCCCOCC(C)F fafb7da3a94dbe4c492c6db9fc235251 [0,1,0,0,0,0|3,0,0]=4 2074 B10R0.4 CCSCCCOCC(C)S 36a88913b0cab40cd5908dbbe0b7763a [0,1,0,0,0,0|3,0,0]=4 2075 B10R0.4 CCSCCCOC[C@@H](C)F 60e1a8cab0f601a797d3012c0e10cd5f [0,1,0,0,0,0|3,0,0]=4 2076 B10R0.4 CCSCCCOC[C@H](C)F dce8a1d4b438e48958f6e707558d2643 [0,1,0,0,0,0|3,0,0]=4 2077 B10R0.4 CCSCCNCCC(=O)C dc17725a3c49e266625d9c0ecdf1b483 [0,1,0,0,0,0|2,0,1]=4 2078 B10R0.4 CCSCCNCCC(C)C 699cf399b127d79c3e2fd6113aa6861f [0,1,0,0,0,0|2,0,0]=3 2079 B10R0.4 CCSCCNCCC(C)O 18725e6afa4659f729f9a504bad949a6 [0,1,0,0,0,0|2,0,0]=3 2080 B10R0.4 CCSCCNCCC(F)F b601ed794cb24efd8cb591013c48b282 [0,1,0,0,0,0|3,0,0]=4 2081 B10R0.4 CCSCCNCCN(C)C 08b30355c30816460acad94096abd049 [0,1,0,0,0,0|3,0,0]=4 2082 B10R0.4 CCSCCNCCS(=O)C 35a5c4a4640d8df1ecaa7d93fa39562f [0,1,0,0,0,0|3,0,0]=4 2083 B10R0.4 CCSCCNCC[C@@H](C)O a9990d55afb50c01e3334e3bb8a1bea8 [0,1,0,0,0,0|2,0,0]=3 2084 B10R0.4 CCSCCNCC[C@H](C)O a180e4faae517b27311900944a178843 [0,1,0,0,0,0|2,0,0]=3 2085 B10R0.4 CCSCCNCOC(C)C b3b52fd391648ccd6a409a5b0d26f478 [0,1,0,0,0,0|3,0,0]=4 2086 B10R0.4 CCSCCOC/C=C(/C)\Cl 419ae04a16515e28cc0be25068f025c8 [0,1,0,0,0,0|1,0,2]=4 2087 B10R0.4 CCSCCOC/C=C(/C)\I 5b6e1086601c676fce7ba3f0dfa3ba22 [0,1,0,0,0,0|1,0,2]=4 2088 B10R0.4 CCSCCOC/C=C(\C)/Cl 2ca345a8c00f60d32a933665259802fa [0,1,0,0,0,0|1,0,2]=4 2089 B10R0.4 CCSCCOCC=C(C)C a182d1538f537415eab77d848a8aa943 [0,1,0,0,0,0|1,0,2]=4 2090 B10R0.4 CCSCCOCC=C(C)Cl 8009ca714ad44a80e8aaa965c89ca7a2 [0,1,0,0,0,0|1,0,2]=4 2091 B10R0.4 CCSCCOCC=C(C)I e0cc5b571f76af591d8bda0c4e843c2f [0,1,0,0,0,0|1,0,2]=4 2092 B10R0.4 CCSCCOCCC(=O)C 457f1bc970e68f8ecb238d68447adf89 [0,1,0,0,0,0|1,0,1]=3 2093 B10R0.4 CCSCCOCCC(=O)N 7ff7c7f40078631343e2bc35874d378f [0,1,0,0,0,0|2,0,1]=4 2094 B10R0.4 CCSCCOCCC(=O)O 547cb9bae4885e95f673de9975307679 [0,1,0,0,0,0|2,0,1]=4 2095 B10R0.4 CCSCCOCCC(C)C 4a2dd077b692621b2f0216e08aa23d96 [0,1,0,0,0,0|1,0,0]=2 2096 B10R0.4 CCSCCOCCC(F)F a60d336fdbd208c49d40ef5157550487 [0,1,0,0,0,0|2,0,0]=3 2097 B10R0.4 CCSCCOCCN(C)C 34eb8fe6d78647c6aa2c78ea65b858bd [0,1,0,0,0,0|2,0,0]=3 2098 B10R0.4 CCSCCOCCS(=O)C 5c3b6e02c4d264aaa3d6b8f066ea3359 [0,1,0,0,0,0|2,0,0]=3 2099 B10R0.4 CCSCCOCC[N+](=O)[O-] 8dd164f5a965844fb46e134ebd65a0f0 [0,1,0,0,0,0|3,0,0]=4 2100 B10R0.4 CCSCCOCNC(=O)C 314e3af97768302ff4d4f1dc3f062853 [0,1,0,0,0,0|2,0,1]=4 2101 B10R0.4 CCSCCOCOC(=O)C 799c553332db5fd2d517025547009c9e [0,1,0,0,0,0|2,0,1]=4 2102 B10R0.4 CCSCCOCOC(C)C 746caa3dfbee7e914e1ce77384218da2 [0,1,0,0,0,0|2,0,0]=3 2103 B10R0.4 CN(C)CCCNCCCCl 02816ed0489267bc54368c7c609129a7 [0,1,0,0,0,0|3,0,0]=4 2104 B10R0.4 CN(C)CCCNCCCF 008151d252d94f35a05af15bac88477b [0,1,0,0,0,0|3,0,0]=4 2105 B10R0.4 CN(C)CCCNCCCO 2557968bba8c1892525ef1f67906d700 [0,1,0,0,0,0|3,0,0]=4 2106 B10R0.4 CN(C)CCCNCCCS 41baeb06107cbba3c6035d3cbf0afc21 [0,1,0,0,0,0|3,0,0]=4 2107 B10R0.4 CN(C)CCCOCCC#N 3537ab80fc800cede41852022e00111d [0,1,0,0,0,0|2,0,1]=4 2108 B10R0.4 CN(C)CCCOCCC=O 4320b1b2bf0db50f3cf177d28b7ef0f8 [0,1,0,0,0,0|2,0,1]=4 2109 B10R0.4 CN(C)CCCOCCCF c6441fdaf1994f05bfdb1a389fa9c210 [0,1,0,0,0,0|2,0,0]=3 2110 B10R0.4 CN(C)CCCOCCCS 9193fb8350f25caf7f637593aa150158 [0,1,0,0,0,0|2,0,0]=3 2111 B10R0.4 CN(C)CCNCCCCCl 6b95245233d30712cde0797a3ea19b31 [0,1,0,0,0,0|3,0,0]=4 2112 B10R0.4 CN(C)CCNCCCCF 080f9a75bed3d76bc48f90b083945cb9 [0,1,0,0,0,0|3,0,0]=4 2113 B10R0.4 CN(C)CCNCCCCO 0345b9b4aec460bec613bcc03fd30263 [0,1,0,0,0,0|3,0,0]=4 2114 B10R0.4 CN(C)CCNCCCCS 20b2f7d0804a1ae4354f6d622077f504 [0,1,0,0,0,0|3,0,0]=4 2115 B10R0.4 CN(C)CCOCCCC#N 4a4caa4a1eee1ba9243daa3ffc6376f8 [0,1,0,0,0,0|2,0,1]=4 2116 B10R0.4 CN(C)CCOCCCC=O 87c6a03a2fd6bcf999320486e48838a5 [0,1,0,0,0,0|2,0,1]=4 2117 B10R0.4 CN(C)CCOCCCCF 8d99c08ec380da3edcec761765a7c232 [0,1,0,0,0,0|2,0,0]=3 2118 B10R0.4 CN(C)CCOCCCCS c16a630867332a19ff842cb62d9e22c3 [0,1,0,0,0,0|2,0,0]=3 2119 B10R0.4 CN(C)CCOCCNCF b542803957261c2e54b1f6bda9415892 [0,1,0,0,0,0|3,0,0]=4 2120 B10R0.4 CN(C)CCOCCNCO 9e0343e92f6675d546f947b0c3109cad [0,1,0,0,0,0|3,0,0]=4 2121 B10R0.4 CN(C)CCOCCOCF 2e9793eb61b1a9810effccb99b87db53 [0,1,0,0,0,0|3,0,0]=4 2122 B10R0.4 COCCCCCNC(C)C 033d1b8529bdb793699a87ba638c4c6b [0,1,0,0,0,0|3,0,0]=4 2123 B10R0.4 COCCCCCOC(C)C c14688ef54b6631ecbfbde98ec8209c7 [0,1,0,0,0,0|3,0,0]=4 2124 B10R0.4 COCCCCNCC(C)C 77368a325f379fac5573b7f5fcb384ef [0,1,0,0,0,0|3,0,0]=4 2125 B10R0.4 COCCCCNCC(C)O 1ddb5560abf61a36272459c1e1e06c1f [0,1,0,0,0,0|3,0,0]=4 2126 B10R0.4 COCCCCNC[C@@H](C)O a10c2f65db665caef5a13399777e34d0 [0,1,0,0,0,0|3,0,0]=4 2127 B10R0.4 COCCCCNC[C@H](C)O 1c02f8d0bb6f8040f694605d637e737b [0,1,0,0,0,0|3,0,0]=4 2128 B10R0.4 COCCCCOCC(C)C ad3e80d1de064622463e513eddb48a26 [0,1,0,0,0,0|3,0,0]=4 2129 B10R0.4 COCCCCOCC(C)F 713753f7a6230c0bd0f60ff71ea383fe [0,1,0,0,0,0|3,0,0]=4 2130 B10R0.4 COCCCCOCC(C)S d091e2baee47124e0f0060765f3393a4 [0,1,0,0,0,0|3,0,0]=4 2131 B10R0.4 COCCCCOC[C@@H](C)F 63bd4b4a19a2d43f3b516101bd7efb22 [0,1,0,0,0,0|3,0,0]=4 2132 B10R0.4 COCCCCOC[C@H](C)F 8bd81dcb53b09cb232a51232163ccbb2 [0,1,0,0,0,0|3,0,0]=4 2133 B10R0.4 COCCCNCCC(=O)C 5360de16b201f8614b5bf4d4f61c69e7 [0,1,0,0,0,0|2,0,1]=4 2134 B10R0.4 COCCCNCCC(C)C d15c43a39d942fe7ac9ee01fb82391ee [0,1,0,0,0,0|2,0,0]=3 2135 B10R0.4 COCCCNCCC(C)O d5a7633f1811705245c3d698f9d7dc0a [0,1,0,0,0,0|2,0,0]=3 2136 B10R0.4 COCCCNCCC(F)F a1b69a1964788a1f41bb26128bb3c7f2 [0,1,0,0,0,0|3,0,0]=4 2137 B10R0.4 COCCCNCCN(C)C 46f3de653032080374a743c8a8950c7c [0,1,0,0,0,0|3,0,0]=4 2138 B10R0.4 COCCCNCCS(=O)C 9d606fb100309d8ee48d6c35dbb300ff [0,1,0,0,0,0|3,0,0]=4 2139 B10R0.4 COCCCNCC[C@@H](C)O 56b5b5408d2c15d9f4415cf06cc55dc7 [0,1,0,0,0,0|2,0,0]=3 2140 B10R0.4 COCCCNCC[C@H](C)O 9279e0fcb1c4aa02aa9d4c2b6c2e9ff3 [0,1,0,0,0,0|2,0,0]=3 2141 B10R0.4 COCCCNCOC(C)C ea20442d5733a416d92bb918f3331c26 [0,1,0,0,0,0|3,0,0]=4 2142 B10R0.4 COCCCOC/C=C(/C)\Cl bce6818e2ca70b92b1ef59f12c213698 [0,1,0,0,0,0|1,0,2]=4 2143 B10R0.4 COCCCOC/C=C(/C)\I dd45c9ed26d9eb7f112a7beb3c3f15c1 [0,1,0,0,0,0|1,0,2]=4 2144 B10R0.4 COCCCOC/C=C(\C)/Cl a23321f1949b7f2f7280ca24ba5cabd2 [0,1,0,0,0,0|1,0,2]=4 2145 B10R0.4 COCCCOCC=C(C)C 43bf918f991a069a57d48ce097b3206d [0,1,0,0,0,0|1,0,2]=4 2146 B10R0.4 COCCCOCC=C(C)Cl bc2f9b5ba40fedb31875d959a5e8d9ae [0,1,0,0,0,0|1,0,2]=4 2147 B10R0.4 COCCCOCC=C(C)I 3f9a422ca8b2f686200bcc24116247d0 [0,1,0,0,0,0|1,0,2]=4 2148 B10R0.4 COCCCOCCC(=O)C ce9ab677788967ce42aba7517b03235f [0,1,0,0,0,0|1,0,1]=3 2149 B10R0.4 COCCCOCCC(=O)N 485c4d9f1d228242ae17f5efde4b3a88 [0,1,0,0,0,0|2,0,1]=4 2150 B10R0.4 COCCCOCCC(=O)O d4eb4dab6784cb2fb1076332406f0b6e [0,1,0,0,0,0|2,0,1]=4 2151 B10R0.4 COCCCOCCC(C)C 865d0faf2dcbbda3993a35f9cc52a096 [0,1,0,0,0,0|1,0,0]=2 2152 B10R0.4 COCCCOCCC(F)F bc53f79cee7696e1c903e9e7b2982248 [0,1,0,0,0,0|2,0,0]=3 2153 B10R0.4 COCCCOCCN(C)C dbd096bbc0a25fb796044e307372e98c [0,1,0,0,0,0|2,0,0]=3 2154 B10R0.4 COCCCOCCS(=O)C e3fbea74de7ebe5eb53cb2ef5f0f59bf [0,1,0,0,0,0|2,0,0]=3 2155 B10R0.4 COCCCOCC[N+](=O)[O-] ab466db579d8c42237deceb62924351b [0,1,0,0,0,0|3,0,0]=4 2156 B10R0.4 COCCCOCNC(=O)C c6a21628d310915dbd91616369975ac4 [0,1,0,0,0,0|2,0,1]=4 2157 B10R0.4 COCCCOCOC(=O)C e2b95f88f62d2b4f019edb36c7330682 [0,1,0,0,0,0|2,0,1]=4 2158 B10R0.4 COCCCOCOC(C)C 2c6d6d8e4df1a50175134da672b80830 [0,1,0,0,0,0|2,0,0]=3 2159 B10R0.4 COCCNCCCC(=O)C 55f45a09a65d1215663de3b544f7bffa [0,1,0,0,0,0|2,0,1]=4 2160 B10R0.4 COCCNCCCC(C)C a15672a7f9379b0aab7bd577821aab21 [0,1,0,0,0,0|2,0,0]=3 2161 B10R0.4 COCCNCCCC(C)O dbc00069a293067f4bf4bbf830236f5d [0,1,0,0,0,0|2,0,0]=3 2162 B10R0.4 COCCNCCCN(C)C 89710df421baa7de388264f5e1a42bee [0,1,0,0,0,0|3,0,0]=4 2163 B10R0.4 COCCNCCCS(=O)C 716ede4642555cc29be0d0f223556db3 [0,1,0,0,0,0|3,0,0]=4 2164 B10R0.4 COCCNCCOC(C)C c43ab6669d7aa919c4ff0ddbc379d0dd [0,1,0,0,0,0|3,0,0]=4 2165 B10R0.4 COCCNCCSC(C)C 52ebd0a0e1af6454265899435e715021 [0,1,0,0,0,0|3,0,0]=4 2166 B10R0.4 COCCOC/C=C/C(C)C 4da4c70973e7dcbe297b08538f582720 [0,1,0,0,0,0|1,0,2]=4 2167 B10R0.4 COCCOCCC=C(C)C e315af0de16af0f3512cf11f7f615bf4 [0,1,0,0,0,0|1,0,2]=4 2168 B10R0.4 COCCOCCCC(=O)C 814d4c7715849242ef07ecf4e095ea3c [0,1,0,0,0,0|1,0,1]=3 2169 B10R0.4 COCCOCCCC(=O)N bba16ea9a96393ace4cf5b7a8814abe8 [0,1,0,0,0,0|2,0,1]=4 2170 B10R0.4 COCCOCCCC(=O)O 72bf5da1d6d66c17ef3fa61bc44b144e [0,1,0,0,0,0|2,0,1]=4 2171 B10R0.4 COCCOCCCC(C)C 3e7429178e907c0608d22f5cf4f3163b [0,1,0,0,0,0|1,0,0]=2 2172 B10R0.4 COCCOCCCN(C)C 2aaf2fea71a879b1389b266e9c9cf974 [0,1,0,0,0,0|2,0,0]=3 2173 B10R0.4 COCCOCCC[N+](=O)[O-] bdb2b8247f6e15724a9dac5d97146f46 [0,1,0,0,0,0|3,0,0]=4 2174 B10R0.4 COCCOCCNC(=O)C 6502d0369038154947ac9fdccd2b7af8 [0,1,0,0,0,0|2,0,1]=4 2175 B10R0.4 COCCOCCNC(C)C a80ccc0c2de4cdee5f5a303302a4ebe7 [0,1,0,0,0,0|2,0,0]=3 2176 B10R0.4 COCCOCCOC(=O)C eda7928b9df3dc76fb36c1c55466538e [0,1,0,0,0,0|2,0,1]=4 2177 B10R0.4 COCCOCCOC(C)C 645e9cbf60978a0414a404a6436cc881 [0,1,0,0,0,0|2,0,0]=3 2178 B10R0.4 COCCOCCOC(F)F d537c1d4961d1008c4f507e8937bd9d4 [0,1,0,0,0,0|3,0,0]=4 2179 B10R0.4 COCCOCCSC(=O)C ce58280ec9b3fc1d9121d859ae1a6cb1 [0,1,0,0,0,0|2,0,1]=4 2180 B10R0.4 COCCOCCSC(C)C fbcc93945234c1c430d1d7f67c5b6eee [0,1,0,0,0,0|2,0,0]=3 2181 B10R0.4 COCCOCNCC(=O)C ad09f469b1f8eecf95535296592baff5 [0,1,0,0,0,0|2,0,1]=4 2182 B10R0.4 COCCOCNCC(C)C 620f802e1e065fd65719d4abc6f24f80 [0,1,0,0,0,0|2,0,0]=3 2183 B10R0.4 COCCOCNCC(C)O 5d7622d02a43fa262bb145bffaba0380 [0,1,0,0,0,0|2,0,0]=3 2184 B10R0.4 COCCOCNCC(F)F cf7cc9ce477840bf33edf49ebc6bf28a [0,1,0,0,0,0|3,0,0]=4 2185 B10R0.4 COCCOCNC[C@@H](C)O 84be0a176085a37a284c0951b7343530 [0,1,0,0,0,0|2,0,0]=3 2186 B10R0.4 COCCOCNC[C@H](C)O 02ba47b6e4f6e4aee44e403a10d0b1cb [0,1,0,0,0,0|2,0,0]=3 2187 B10R0.4 COCCOCOCC(=O)C f7cb9a29b0cd52b023e2aaaaeaa9724c [0,1,0,0,0,0|2,0,1]=4 2188 B10R0.4 COCCOCOCC(C)C 6e4085dc9bfd3676d18aaae4c0edc22c [0,1,0,0,0,0|2,0,0]=3 2189 B10R0.4 COCCOCOCC(C)F 5432aa3b0e03368caf6a7b9720636f5d [0,1,0,0,0,0|2,0,0]=3 2190 B10R0.4 COCCOCOCC(C)S a8941c8e2b8a860ab14e3917e7b1badc [0,1,0,0,0,0|2,0,0]=3 2191 B10R0.4 COCCOCOCC(F)F a18f45b3757d885a7fa17662ab3e858e [0,1,0,0,0,0|3,0,0]=4 2192 B10R0.4 COCCOCOC[C@@H](C)F 40d7d77b5a5b35642d2b71918ecb9e3c [0,1,0,0,0,0|2,0,0]=3 2193 B10R0.4 COCCOCOC[C@H](C)F f006ac8a017f00b408f7858347f9c991 [0,1,0,0,0,0|2,0,0]=3 2194 B10R0.4 COCOCCCCC(C)C 5c60f7e2698c3ed5789c783d5048dedf [0,1,0,0,0,0|3,0,0]=4 2195 B10R0.4 CS(=O)CCCNCCCF 79e4ed23164655965e04b4704dcf9475 [0,1,0,0,0,0|3,0,0]=4 2196 B10R0.4 CS(=O)CCCNCCCO 744403b5ce1a6c4ada71011b321debb3 [0,1,0,0,0,0|3,0,0]=4 2197 B10R0.4 CS(=O)CCCNCCCS a105d7460b1c06077a0b6f0569ae646a [0,1,0,0,0,0|3,0,0]=4 2198 B10R0.4 CS(=O)CCNCCCCCl 2fd3ece6ed8101e4d7bdffe3e507e32b [0,1,0,0,0,0|3,0,0]=4 2199 B10R0.4 CS(=O)CCNCCCCF cef552319dbe471fc71dde77abb88227 [0,1,0,0,0,0|3,0,0]=4 2200 B10R0.4 CS(=O)CCNCCCCO b18ae202575c535e13586edb63e335b4 [0,1,0,0,0,0|3,0,0]=4 2201 B10R0.4 CS(=O)CCNCCCCS 931aa57304185024fad4257457a8f5ae [0,1,0,0,0,0|3,0,0]=4 2202 B10R0.4 CS(=O)CCOCCCC#N 14e82503a842806b5fa3f70cf41bb5cd [0,1,0,0,0,0|2,0,1]=4 2203 B10R0.4 CS(=O)CCOCCCC=O 0fd1ceffc690f86bd7d154c1148f3846 [0,1,0,0,0,0|2,0,1]=4 2204 B10R0.4 CS(=O)CCOCCCCF 5a0ee14b6403d612e39537bbe47922e9 [0,1,0,0,0,0|2,0,0]=3 2205 B10R0.4 CS(=O)CCOCCCCS 84f190a233a6099b47a35132563194b3 [0,1,0,0,0,0|2,0,0]=3 2206 B10R0.4 CSCCCCNCC(C)C e4759e70efa3006eba6e4bf56bce51af [0,1,0,0,0,0|3,0,0]=4 2207 B10R0.4 CSCCCCNCC(C)O 21dab1f3998b56289acf4659f5f54399 [0,1,0,0,0,0|3,0,0]=4 2208 B10R0.4 CSCCCCNC[C@@H](C)O 287f2516a96cd407b1182b6a17761c3b [0,1,0,0,0,0|3,0,0]=4 2209 B10R0.4 CSCCCCNC[C@H](C)O 002880fb4526d8803fe72a049a805455 [0,1,0,0,0,0|3,0,0]=4 2210 B10R0.4 CSCCCCOCC(C)C 2c14243237662a1853b61a37b4200032 [0,1,0,0,0,0|3,0,0]=4 2211 B10R0.4 CSCCCNCCC(=O)C ba6ca44757cb501b77af5fad9f076f1f [0,1,0,0,0,0|2,0,1]=4 2212 B10R0.4 CSCCCNCCC(C)C 9d006537826218f9107780847678384c [0,1,0,0,0,0|2,0,0]=3 2213 B10R0.4 CSCCCNCCC(C)O e3201444ee57c0b4141f28224d1732f4 [0,1,0,0,0,0|2,0,0]=3 2214 B10R0.4 CSCCCNCCC(F)F 340e2ebf18e3043bce629d076521a5ff [0,1,0,0,0,0|3,0,0]=4 2215 B10R0.4 CSCCCNCCN(C)C 366171a2f73d0200fc9877c5463daa9d [0,1,0,0,0,0|3,0,0]=4 2216 B10R0.4 CSCCCNCCS(=O)C 2a6958b54329339e1484fb6f7f704842 [0,1,0,0,0,0|3,0,0]=4 2217 B10R0.4 CSCCCNCC[C@@H](C)O 3da49fe17e20a5dbd8b15ff6577f809c [0,1,0,0,0,0|2,0,0]=3 2218 B10R0.4 CSCCCNCC[C@H](C)O 4ed8efed7ffad1175717c16b46fba25e [0,1,0,0,0,0|2,0,0]=3 2219 B10R0.4 CSCCCNCOC(C)C de779d09048dc6c4c329fe204c376ff6 [0,1,0,0,0,0|3,0,0]=4 2220 B10R0.4 CSCCCOC/C=C(/C)\Cl d6b3c515b2f4b89984c3de5720cb1df1 [0,1,0,0,0,0|1,0,2]=4 2221 B10R0.4 CSCCCOC/C=C(/C)\I f6f81e8c70b18f0c7e9bd9a2532c37f2 [0,1,0,0,0,0|1,0,2]=4 2222 B10R0.4 CSCCCOC/C=C(\C)/Cl 7c6e6c818410c40b40fdbad306943b1d [0,1,0,0,0,0|1,0,2]=4 2223 B10R0.4 CSCCCOCC=C(C)C 838cac0245fa869c50f1bdded28dbf0d [0,1,0,0,0,0|1,0,2]=4 2224 B10R0.4 CSCCCOCC=C(C)Cl 56394c73b4795b51eb9a4808157504b6 [0,1,0,0,0,0|1,0,2]=4 2225 B10R0.4 CSCCCOCC=C(C)I dd7ceaa65b23e829b24941eb57ec52fb [0,1,0,0,0,0|1,0,2]=4 2226 B10R0.4 CSCCCOCCC(=O)C 3ba9f69b4dabe21dca9b0f34d43e0e87 [0,1,0,0,0,0|1,0,1]=3 2227 B10R0.4 CSCCCOCCC(=O)N 059f372458e61e0fdbc119c74b3a1e7a [0,1,0,0,0,0|2,0,1]=4 2228 B10R0.4 CSCCCOCCC(=O)O 6b3756b593022d7d702b5e676fa25b5e [0,1,0,0,0,0|2,0,1]=4 2229 B10R0.4 CSCCCOCCC(C)C 0d917d595e4921f5004e30ae85d48259 [0,1,0,0,0,0|1,0,0]=2 2230 B10R0.4 CSCCCOCCC(F)F 8df364049993e30fc4cf0c630ea4ff58 [0,1,0,0,0,0|2,0,0]=3 2231 B10R0.4 CSCCCOCCN(C)C 49858f3f57a520a7feabb3f49aca922e [0,1,0,0,0,0|2,0,0]=3 2232 B10R0.4 CSCCCOCCS(=O)C 16e1220a871b4f0ef3bdcabbb3115b96 [0,1,0,0,0,0|2,0,0]=3 2233 B10R0.4 CSCCCOCC[N+](=O)[O-] e569d3140984d2d26d6c03e6c458a98f [0,1,0,0,0,0|3,0,0]=4 2234 B10R0.4 CSCCCOCNC(=O)C 84bdb8fb42d138ceb15e4d46a890ecd4 [0,1,0,0,0,0|2,0,1]=4 2235 B10R0.4 CSCCCOCOC(=O)C 65b51777e809d54d2dcc355dc9f9dcf9 [0,1,0,0,0,0|2,0,1]=4 2236 B10R0.4 CSCCCOCOC(C)C b1d03280c70f0ccd9541fa86397ed9f4 [0,1,0,0,0,0|2,0,0]=3 2237 B10R0.4 CSCCNCCCC(=O)C b0f651d6cbd97ab9c605588c785a7c5a [0,1,0,0,0,0|2,0,1]=4 2238 B10R0.4 CSCCNCCCC(C)C f5f68349658f6cd20aed92671b18014a [0,1,0,0,0,0|2,0,0]=3 2239 B10R0.4 CSCCNCCCC(C)O ed0c63796a660f5427e2b8ffcf4436e9 [0,1,0,0,0,0|2,0,0]=3 2240 B10R0.4 CSCCNCCCN(C)C 0980c03e17b6189198ad0c33b056b737 [0,1,0,0,0,0|3,0,0]=4 2241 B10R0.4 CSCCNCCCS(=O)C 1162a145fcbbed3fc5a8933706357013 [0,1,0,0,0,0|3,0,0]=4 2242 B10R0.4 CSCCNCCOC(C)C 7a5714c4dfc2def2b099fda9dbcbc04c [0,1,0,0,0,0|3,0,0]=4 2243 B10R0.4 CSCCNCCSC(C)C 1fbe62910bd0b136f8b28f23f3ac2a16 [0,1,0,0,0,0|3,0,0]=4 2244 B10R0.4 CSCCOC/C=C/C(C)C cb03ce3380a555cd817cfae992291751 [0,1,0,0,0,0|1,0,2]=4 2245 B10R0.4 CSCCOCCC=C(C)C 01ebe963c7f074af814e3be3d22b6205 [0,1,0,0,0,0|1,0,2]=4 2246 B10R0.4 CSCCOCCCC(=O)C 5d591b5d8c802d0c0b966c0d6518b21f [0,1,0,0,0,0|1,0,1]=3 2247 B10R0.4 CSCCOCCCC(=O)N ee1765b132a381372bb1ce4a23f31025 [0,1,0,0,0,0|2,0,1]=4 2248 B10R0.4 CSCCOCCCC(=O)O 2169ad430e54ba0fc625bece4160068c [0,1,0,0,0,0|2,0,1]=4 2249 B10R0.4 CSCCOCCCC(C)C ae475609096bb18c03f0ff4e290fb9d9 [0,1,0,0,0,0|1,0,0]=2 2250 B10R0.4 CSCCOCCCN(C)C 5e3c4c9c3534aa4cfd3773bf7e3fc08e [0,1,0,0,0,0|2,0,0]=3 2251 B10R0.4 CSCCOCCC[N+](=O)[O-] 60c06e8e55b86ce0bb3aba2cfca5fab7 [0,1,0,0,0,0|3,0,0]=4 2252 B10R0.4 CSCCOCCNC(=O)C dc80902e9829a1b9a33535197e697168 [0,1,0,0,0,0|2,0,1]=4 2253 B10R0.4 CSCCOCCOC(=O)C 03481bc89f21bf34d849ce457ccf8202 [0,1,0,0,0,0|2,0,1]=4 2254 B10R0.4 CSCCOCCOC(C)C 1f23ac81aabf955e4ea761e2fcacae50 [0,1,0,0,0,0|2,0,0]=3 2255 B10R0.4 CSCCOCCOC(F)F e136585032757fcbd998a7d1c75f7c3d [0,1,0,0,0,0|3,0,0]=4 2256 B10R0.4 CSCCOCCSC(=O)C 5cd7fab404c77da6c6a350d38dc24762 [0,1,0,0,0,0|2,0,1]=4 2257 B10R0.4 CSCCOCCSC(C)C 26e1a82c2dea5fd8a04943f623421520 [0,1,0,0,0,0|2,0,0]=3 2258 B10R0.4 CSCOCCCCC(C)C 0ae05e8910b5dc8ad503c7b9aaf32d2f [0,1,0,0,0,0|3,0,0]=4 2259 B10R0.4 C[C@@H](F)COCCCCCF 5b62782740e940fd707092b5f73abd66 [0,1,0,0,0,0|3,0,0]=4 2260 B10R0.4 C[C@@H](O)CCCCNCCBr 981b2613b1d2a9ec8022e5fbd1ac0ac6 [0,1,0,0,0,0|3,0,0]=4 2261 B10R0.4 C[C@@H](O)CCCCNCCF 06a9119e5b24f6981568b27055f41132 [0,1,0,0,0,0|3,0,0]=4 2262 B10R0.4 C[C@@H](O)CCCCNCCI ea5db5bac35363c35ebf7704a1e4d342 [0,1,0,0,0,0|3,0,0]=4 2263 B10R0.4 C[C@@H](O)CCCCNCCO 540e5a73a85915e91ef6c8e3fa7a09a6 [0,1,0,0,0,0|3,0,0]=4 2264 B10R0.4 C[C@@H](O)CCCCNCCS a1b90adda40c9f3c04ba903565d01986 [0,1,0,0,0,0|3,0,0]=4 2265 B10R0.4 C[C@@H](O)CCNCCCC#N 556f0a9b624e61c07c06591185c5413f [0,1,0,0,0,0|2,0,1]=4 2266 B10R0.4 C[C@@H](O)CCNCCCC=O d7ec67af06a26a29d161b2e94559897b [0,1,0,0,0,0|2,0,1]=4 2267 B10R0.4 C[C@@H](O)CCNCCCCF 3caf2d840c6d57b474b164dcdda33023 [0,1,0,0,0,0|2,0,0]=3 2268 B10R0.4 C[C@@H](O)CCNCCCCO 4fca7630c61cfc16c51e05a444529134 [0,1,0,0,0,0|2,0,0]=3 2269 B10R0.4 C[C@@H](O)CNCCCCCCl b866b2a61898bd18c8941edd75867d6d [0,1,0,0,0,0|3,0,0]=4 2270 B10R0.4 C[C@@H](O)CNCCCCCF 14e1b1914eded3e96ba2baf634482ca5 [0,1,0,0,0,0|3,0,0]=4 2271 B10R0.4 C[C@@H](O)CNCCCCCO f00e8cd379c6d1e2716557afd308f86c [0,1,0,0,0,0|3,0,0]=4 2272 B10R0.4 C[C@H](F)COCCCCCF 1e67efe1f385db604f44c0115f658daa [0,1,0,0,0,0|3,0,0]=4 2273 B10R0.4 C[C@H](O)CCNCCCC#N c6884318fcd9808bac5e120fd334c3c7 [0,1,0,0,0,0|2,0,1]=4 2274 B10R0.4 C[C@H](O)CCNCCCC=O 96162b60d8478ae0f8040deafc04623b [0,1,0,0,0,0|2,0,1]=4 2275 B10R0.4 C[C@H](O)CCNCCCCF fe19ddf1c8881c1a1b567c54dedaff13 [0,1,0,0,0,0|2,0,0]=3 2276 B10R0.4 C[C@H](O)CCNCCCCO a9d5080b2c136f8d46ba5a35c2f2a159 [0,1,0,0,0,0|2,0,0]=3 2277 B10R0.4 C[C@H](O)CNCCCCCCl ae753e896411fff5d1fe9a7a75f1edf0 [0,1,0,0,0,0|3,0,0]=4 2278 B10R0.4 C[C@H](O)CNCCCCCF c1bc8eb7156b69b5cb7c7d38b7f46148 [0,1,0,0,0,0|3,0,0]=4 2279 B10R0.4 C[C@H](O)CNCCCCCO 96311f7e134db8c0395a1fe3b30b2a18 [0,1,0,0,0,0|3,0,0]=4 2280 B10R0.4 FC(F)OCCOCCCS fa813f1164aea51ebb0d993be655ee99 [0,1,0,0,0,0|3,0,0]=4 2281 B10R0.4 FCCCCNCCC(F)F c6c8cb61500305dc61fc7478e101d6dd [0,1,0,0,0,0|3,0,0]=4 2282 B10R0.4 FCCCCOCCC(F)F ad35fa18163d15fc8cf9e988506f268f [0,1,0,0,0,0|2,0,0]=3 2283 B10R0.4 FCCCOCCOC(F)F d968ea2548d09938e042d86bef722af8 [0,1,0,0,0,0|3,0,0]=4 2284 B10R0.4 N#CCCCOCCC(F)F b73d21afa897114418a41e5c50948af1 [0,1,0,0,0,0|2,0,1]=4 2285 B10R0.4 NC(=O)CCCOCCCF 5dc0e0365cec6a86ae412df215c6ec75 [0,1,0,0,0,0|2,0,1]=4 2286 B10R0.4 NC(=O)CCCOCCCS da597ec925c094b7920b8d33c7a6d48b [0,1,0,0,0,0|2,0,1]=4 2287 B10R0.4 NC(=O)CCOCCCCF b88b8093813004ba1f889bd23f7c96c9 [0,1,0,0,0,0|2,0,1]=4 2288 B10R0.4 NC(=O)CCOCCCCS 37caaf4852e726737cc27b3110550d16 [0,1,0,0,0,0|2,0,1]=4 2289 B10R0.4 O=C(O)CCCOCCCF ef86cc67ffb85fea8a2e23ffd0be7146 [0,1,0,0,0,0|2,0,1]=4 2290 B10R0.4 O=C(O)CCOCCCCF f1aba4d0fec36c39af00cdd25995f36c [0,1,0,0,0,0|2,0,1]=4 2291 B10R0.4 O=C(O)CCOCCCCS f440f233d2be0718d562a00417942445 [0,1,0,0,0,0|2,0,1]=4 2292 B10R0.4 O=CCCCOCCC(F)F 9bad269df01c23f5fc7cd41f2abb1b6d [0,1,0,0,0,0|2,0,1]=4 2293 B10R0.4 O=[N+]([O-])CCCOCCCF 07934f55ad8ef252d66d99950706167c [0,1,0,0,0,0|3,0,0]=4 2294 B10R0.4 O=[N+]([O-])CCCOCCCS 9549f44327b627c0eb8e234fa30b055f [0,1,0,0,0,0|3,0,0]=4 2295 B10R0.4 O=[N+]([O-])CCOCCCCF 37aa1cb0d3aafed8032d486c58393914 [0,1,0,0,0,0|3,0,0]=4 2296 B10R0.4 OCCCCNCCC(F)F d5095c75becac57fd183253ee14c67f2 [0,1,0,0,0,0|3,0,0]=4 2297 B10R0.71 C#CCCCCCCNCC 1e19a0a5664aee09e6c6b3ffa1908f78 [0,1,0,0,0,0|1,0,2]=4 2298 B10R0.71 C#CCCCCCCOCC f3ffc288f40af77abac880573467b1d7 [0,1,0,0,0,0|1,0,2]=4 2299 B10R0.71 C#CCCCCCNCCC f2f452bcb5375f68862be18112b09fe2 [0,1,0,0,0,0|1,0,2]=4 2300 B10R0.71 C#CCCCCCOCCC 2ca86650ff94084696655d61570ec525 [0,1,0,0,0,0|1,0,2]=4 2301 B10R0.71 C#CCCCCNCCCC 0af8d0910ee398356821995ddc41e6bb [0,1,0,0,0,0|1,0,1]=3 2302 B10R0.71 C#CCCCCNCCCCl 6297fa1a43c248a176f0b899b88c2316 [0,1,0,0,0,0|2,0,1]=4 2303 B10R0.71 C#CCCCCNCCCF 76194514fb7ef118e090a186dde24333 [0,1,0,0,0,0|2,0,1]=4 2304 B10R0.71 C#CCCCCNCCCO cad8addcdd2099e0934cfc10725d1925 [0,1,0,0,0,0|2,0,1]=4 2305 B10R0.71 C#CCCCCNCCCS 649e4626e90f988b2d47b206a599aa41 [0,1,0,0,0,0|2,0,1]=4 2306 B10R0.71 C#CCCCCNCCOC cf13a6de19402c09a42ec405ab45527b [0,1,0,0,0,0|2,0,1]=4 2307 B10R0.71 C#CCCCCNCCSC 1552d952b7b3f37055a2ff705f9836bc [0,1,0,0,0,0|2,0,1]=4 2308 B10R0.71 C#CCCCCNCOCC 6973cb6166e7b7551b0a9bfba9454fd8 [0,1,0,0,0,0|2,0,1]=4 2309 B10R0.71 C#CCCCCOC/C=C/C 2ef6b84059a4467ffcd80a9a9f53399e [0,1,0,0,0,0|0,0,3]=4 2310 B10R0.71 C#CCCCCOC/C=C\C abe53c02b7d7a8a5d0fcb8dc6de53b6f [0,1,0,0,0,0|0,0,3]=4 2311 B10R0.71 C#CCCCCOCC#CC 80d4718083592f2ee472434941672ae4 [0,1,0,0,0,0|0,0,3]=4 2312 B10R0.71 C#CCCCCOCC=CC 07f55eea123acfb2d9ec662b39f93d19 [0,1,0,0,0,0|0,0,3]=4 2313 B10R0.71 C#CCCCCOCCC#C 4221c5a38c2aeb4fa9c9fce770337566 [0,1,0,0,0,0|0,0,3]=4 2314 B10R0.71 C#CCCCCOCCC#N 4bea521ccfd6728fa159748686fdc73b [0,1,0,0,0,0|1,0,2]=4 2315 B10R0.71 C#CCCCCOCCC=C 474a3a2f80bf052199f703406e51ed90 [0,1,0,0,0,0|0,0,3]=4 2316 B10R0.71 C#CCCCCOCCC=O b837064fe3c8c314e6c3a263376427bb [0,1,0,0,0,0|1,0,2]=4 2317 B10R0.71 C#CCCCCOCCCC 155c3f8eb84354a374d6f5b6dbe37f94 [0,1,0,0,0,0|0,0,1]=2 2318 B10R0.71 C#CCCCCOCCCF b678df20d040d46705d01ed3ee223258 [0,1,0,0,0,0|1,0,1]=3 2319 B10R0.71 C#CCCCCOCCCS 3f430de000d395cb22aef2e630a47f03 [0,1,0,0,0,0|1,0,1]=3 2320 B10R0.71 C#CCCCCOCCOC 20c86da8489ff3918ff4f9c776db49ae [0,1,0,0,0,0|1,0,1]=3 2321 B10R0.71 C#CCCCCOCCSC f9ff923489bb56407fc38ee92d0bb0ac [0,1,0,0,0,0|1,0,1]=3 2322 B10R0.71 C#CCCCCOCOCC 54442cfaac24aa0187d28a6beb06a8da [0,1,0,0,0,0|1,0,1]=3 2323 B10R0.71 C#CCCCNCCCCC 3fc4fe11920794e4bc955893ec779e02 [0,1,0,0,0,0|1,0,1]=3 2324 B10R0.71 C#CCCCNCCCCCl b2437176d13a3ff8ddf8afaa62337646 [0,1,0,0,0,0|1,0,2]=4 2325 B10R0.71 C#CCCCNCCCCF 689bc3e0e2e03a0683378ec0379c9c59 [0,1,0,0,0,0|1,0,2]=4 2326 B10R0.71 C#CCCCNCCCCO dcf9ae0a1c5137838d7e88c238548982 [0,1,0,0,0,0|1,0,2]=4 2327 B10R0.71 C#CCCCNCCCCS 1b2abad3aab0eed49a5ad82930710412 [0,1,0,0,0,0|1,0,2]=4 2328 B10R0.71 C#CCCCNCCCOC 99debf82903ab41e5fa9b8d61803db6f [0,1,0,0,0,0|1,0,2]=4 2329 B10R0.71 C#CCCCNCCCSC b7f03ad0e906ad8635962a33863315a1 [0,1,0,0,0,0|1,0,2]=4 2330 B10R0.71 C#CCCCNCCOCC a486918ecf64d0371c6282115cde995e [0,1,0,0,0,0|1,0,2]=4 2331 B10R0.71 C#CCCCNCCSCC 29dfb60a9299de7e21e24248051ed03d [0,1,0,0,0,0|1,0,2]=4 2332 B10R0.71 C#CCCCOC/C=C/CC 2b366f97eadbce205f9b4741348b4046 [0,1,0,0,0,0|0,0,3]=4 2333 B10R0.71 C#CCCCOC/C=C\CC f95e0b722e387f84a52eeb1dfd5cbc3b [0,1,0,0,0,0|0,0,3]=4 2334 B10R0.71 C#CCCCOCC#CCC 51b1aedee97ff4190a5b9f8565c85d7e [0,1,0,0,0,0|0,0,3]=4 2335 B10R0.71 C#CCCCOCC/C=C/C 5d07e115dec74c105b743f354c372f15 [0,1,0,0,0,0|0,0,3]=4 2336 B10R0.71 C#CCCCOCCC#CC 85b8952cfbd3742a0eacc2a30cd36840 [0,1,0,0,0,0|0,0,3]=4 2337 B10R0.71 C#CCCCOCCCC#C ee0b8cde9158322821bdc1ba21ea194f [0,1,0,0,0,0|0,0,3]=4 2338 B10R0.71 C#CCCCOCCCC#N 57a5edfd26203630013f4bc5f74079ab [0,1,0,0,0,0|0,0,3]=4 2339 B10R0.71 C#CCCCOCCCC=C f08bf35b057c5298e6ef0d2f36d3199a [0,1,0,0,0,0|0,0,3]=4 2340 B10R0.71 C#CCCCOCCCC=O ac2481a510f99cbdb49ccadae8f6b767 [0,1,0,0,0,0|0,0,3]=4 2341 B10R0.71 C#CCCCOCCCCC cc690d207da9b887d991987e9f43900d [0,1,0,0,0,0|0,0,1]=2 2342 B10R0.71 C#CCCCOCCCCF 39e17995c1d89a7d2a04c26334affa16 [0,1,0,0,0,0|0,0,2]=3 2343 B10R0.71 C#CCCCOCCCCS 5474b41ce7e8c59ac51cae1f609e3334 [0,1,0,0,0,0|0,0,2]=3 2344 B10R0.71 C#CCCCOCCCOC 0d572e7997302adf5910411480202950 [0,1,0,0,0,0|0,0,2]=3 2345 B10R0.71 C#CCCCOCCCSC d667fb56c25898ad3506e31b273447ec [0,1,0,0,0,0|0,0,2]=3 2346 B10R0.71 C#CCCCOCCOCC 6178bd3cf561392f5d81783f51ad884b [0,1,0,0,0,0|0,0,2]=3 2347 B10R0.71 C#CCCCOCCSCC 8e0edf155b9ce6cdd6cadfd74709d008 [0,1,0,0,0,0|0,0,2]=3 2348 B10R0.71 C#CCCNCCCCCC 0f1ff853854e860e272478f5d2708f31 [0,1,0,0,0,0|1,0,2]=4 2349 B10R0.71 C#CCCNCCCCCCl e5ca0690be1fe6749742f1a673221d3f [0,1,0,0,0,0|1,0,2]=4 2350 B10R0.71 C#CCCNCCCCCF 86e4c5722b5f27246bb1c1d46d4376fe [0,1,0,0,0,0|1,0,2]=4 2351 B10R0.71 C#CCCNCCCCCO c38b4418e283a0f1e66ba9daaef38af2 [0,1,0,0,0,0|1,0,2]=4 2352 B10R0.71 C#CCCNCCCCOC 53ce93b4b10db7aa76f5bdda1d445dd2 [0,1,0,0,0,0|1,0,2]=4 2353 B10R0.71 C#CCCNCCCCSC 85988a2990bc72e8477029c69b29271e [0,1,0,0,0,0|1,0,2]=4 2354 B10R0.71 C#CCCNCCCOCC 5d3fd1eb506f4b43a42f28780a89ffef [0,1,0,0,0,0|1,0,2]=4 2355 B10R0.71 C#CCCNCCCSCC a19ab6544adf90f55d704dd941c00cbc [0,1,0,0,0,0|1,0,2]=4 2356 B10R0.71 C#CCCNCCOCCC 4da0e7b139c58c716a1b110cf37f06fe [0,1,0,0,0,0|1,0,2]=4 2357 B10R0.71 C#CCCNCOCCCC ae27374776d826617452d70279610235 [0,1,0,0,0,0|0,0,2]=3 2358 B10R0.71 C#CCCNCOCCOC cd41a9f00f6eae0eff62dcc28f409dc1 [0,1,0,0,0,0|1,0,2]=4 2359 B10R0.71 C#CCCOC/C=C/CCC 075a5e22964647e941a0bfb7a82e1a7a [0,1,0,0,0,0|0,0,3]=4 2360 B10R0.71 C#CCCOC/C=C\CCC 7d66789e5cc0c0eb8ae20cbd26e74fc9 [0,1,0,0,0,0|0,0,3]=4 2361 B10R0.71 C#CCCOCC#CCCC 60a51f04d3502ac4a6168d28f9212b9e [0,1,0,0,0,0|0,0,3]=4 2362 B10R0.71 C#CCCOCC/C=C/CC 74d74bf4d6c2d75460dfacf68a9a580b [0,1,0,0,0,0|0,0,3]=4 2363 B10R0.71 C#CCCOCC/C=C\CC 535e73d5205901617bde8680afff5afa [0,1,0,0,0,0|0,0,3]=4 2364 B10R0.71 C#CCCOCCC#CCC 61d5726a98fa9bf77c4e3c791c145d45 [0,1,0,0,0,0|0,0,3]=4 2365 B10R0.71 C#CCCOCCC/C=C/C 7e01fdb79b549ea27df579658fa2acfb [0,1,0,0,0,0|0,0,3]=4 2366 B10R0.71 C#CCCOCCC/C=C\C 0137607a1924624378c9cf10e16b8cbf [0,1,0,0,0,0|0,0,3]=4 2367 B10R0.71 C#CCCOCCCC#CC 26f0eeabf7caec6dad15f9eef2a064c3 [0,1,0,0,0,0|0,0,3]=4 2368 B10R0.71 C#CCCOCCCC=CC c4997b2d216ed821f709c1477036898b [0,1,0,0,0,0|0,0,3]=4 2369 B10R0.71 C#CCCOCCCCC#N c256d826afd3256f69a8d725b3332e96 [0,1,0,0,0,0|0,0,3]=4 2370 B10R0.71 C#CCCOCCCCC=C d530dcdd3c64c28e3ad0c30cf73508f6 [0,1,0,0,0,0|0,0,3]=4 2371 B10R0.71 C#CCCOCCCCC=O c3207df27e03a4e14b4de4481563145c [0,1,0,0,0,0|0,0,3]=4 2372 B10R0.71 C#CCCOCCCCCC abc6fbb8106126804619f331a30d4f48 [0,1,0,0,0,0|0,0,2]=3 2373 B10R0.71 C#CCCOCCCCCF 7bb5bbbd71e7c89abad20c32dc6df5ce [0,1,0,0,0,0|0,0,2]=3 2374 B10R0.71 C#CCCOCCCCOC 978808c8f79621c271191c8bcbdb4348 [0,1,0,0,0,0|0,0,2]=3 2375 B10R0.71 C#CCCOCCCCSC 9afd649c01e495ec41ff159d6cbf0a24 [0,1,0,0,0,0|0,0,2]=3 2376 B10R0.71 C#CCCOCCCOCC 415bef11f945d91f22f39528ddd6ee67 [0,1,0,0,0,0|0,0,2]=3 2377 B10R0.71 C#CCCOCCCSCC 7f2907118595f180b903f1109a6f5087 [0,1,0,0,0,0|0,0,2]=3 2378 B10R0.71 C#CCCOCCOCCC b5dc08f2c7554d99614105f912c37cad [0,1,0,0,0,0|0,0,2]=3 2379 B10R0.71 C#CCCOCCOCCF 3aa730c8b586649db8579466eae1e270 [0,1,0,0,0,0|1,0,2]=4 2380 B10R0.71 C#CCCOCCOCCS 4e856742cf3623428bbd0daa7677e181 [0,1,0,0,0,0|1,0,2]=4 2381 B10R0.71 C#CCCOCCOCOC 50e4de7a6a9588b39b229e727455e443 [0,1,0,0,0,0|1,0,2]=4 2382 B10R0.71 C#CCCOCCSCCC c39cbb4e24ced733e673a499779dc992 [0,1,0,0,0,0|0,0,2]=3 2383 B10R0.71 C#CCCOCOCCCC d416c640dc1f9c03a39feed63737df60 [0,1,0,0,0,0|0,0,2]=3 2384 B10R0.71 C#CCCOCOCCOC 2fd1c33cbd49930ba16a093c482e8692 [0,1,0,0,0,0|1,0,2]=4 2385 B10R0.71 C#CCNCCCCCCC aff9226f37cdf53f3ebb600cfdb1d4e4 [0,1,0,0,0,0|1,0,2]=4 2386 B10R0.71 C#CCNCCOCCCC be1ddb5e7d9446c22b58fc85c1f1e43c [0,1,0,0,0,0|0,0,2]=3 2387 B10R0.71 C#CCNCCOCCCO 12fca794fce87e76c5c0d655fbfba0ec [0,1,0,0,0,0|1,0,2]=4 2388 B10R0.71 C#CCNCCOCCOC 59e7cd0c005af7f6404dc7e33265e79d [0,1,0,0,0,0|1,0,2]=4 2389 B10R0.71 C#CCOCCCCCCC 69fcb01c702e23b663d9a6d79c522ad8 [0,1,0,0,0,0|1,0,2]=4 2390 B10R0.71 C#CCOCCNCCCC 10ccf0276b493b59d8f407752ac2cb90 [0,1,0,0,0,0|1,0,2]=4 2391 B10R0.71 C#CCOCCOCCCC 9ae862d534681020f098ed7e63f6c27b [0,1,0,0,0,0|0,0,2]=3 2392 B10R0.71 C#CCOCCOCCCF e89edc34761166809dcbbc4b04847342 [0,1,0,0,0,0|1,0,2]=4 2393 B10R0.71 C#CCOCCOCCCS b2b39adf9731acda07450be984e3b2d9 [0,1,0,0,0,0|1,0,2]=4 2394 B10R0.71 C#CCOCCOCCOC 084a6411406d36b84bbc59bbe439bc40 [0,1,0,0,0,0|1,0,2]=4 2395 B10R0.71 C#CCOCCOCCSC 250a3cadcde4e393d9e3b7edff6f5664 [0,1,0,0,0,0|1,0,2]=4 2396 B10R0.71 C#CCOCCOCOCC cb6320997817f25c233a999459a1df7a [0,1,0,0,0,0|1,0,2]=4 2397 B10R0.71 C#CCOCCSCCCC 84ad506610d4b442a3d54ad87ee46230 [0,1,0,0,0,0|0,1,2]=4 2398 B10R0.71 C/C=C/C=C/COCCCC 5be7c2b1277a2751ff6b685b75a09aa7 [0,1,0,0,0,0|0,0,3]=4 2399 B10R0.71 C/C=C/CCCOC/C=C/C b22880ee5111e1cd84b0e058581c0302 [0,1,0,0,0,0|0,0,3]=4 2400 B10R0.71 C/C=C/CCCOCCC#N d39568288ac52f06aabaa2eba187f385 [0,1,0,0,0,0|1,0,2]=4 2401 B10R0.71 C/C=C/CCCOCCC=O 099c08e5c9575bdb23438e08c620b76f [0,1,0,0,0,0|1,0,2]=4 2402 B10R0.71 C/C=C/CCCOCCCC 80f6cb269c0f24c47f7493f0858d135b [0,1,0,0,0,0|0,0,1]=2 2403 B10R0.71 C/C=C/CCCOCCCF 860d38725f92fcb5525d17d1c33dfae2 [0,1,0,0,0,0|1,0,1]=3 2404 B10R0.71 C/C=C/CCCOCCCS e1d9a71470800c85d2df328b331c667d [0,1,0,0,0,0|1,0,1]=3 2405 B10R0.71 C/C=C/CCCOCCOC c3d416ed6793148edba090796b3cf549 [0,1,0,0,0,0|1,0,1]=3 2406 B10R0.71 C/C=C/CCCOCCSC 5061d76d70a1e69d151bb6055a67f633 [0,1,0,0,0,0|1,0,1]=3 2407 B10R0.71 C/C=C/CCCOCOCC c8184d7b4548963f9062cef2db6089de [0,1,0,0,0,0|1,0,1]=3 2408 B10R0.71 C/C=C/CCOC/C=C/CC e4190e5579cc4bbd37a8ecb61d625d33 [0,1,0,0,0,0|0,0,3]=4 2409 B10R0.71 C/C=C/CCOCC#CCC 13ac1dd5a6635d877f879d23886a0d5d [0,1,0,0,0,0|0,0,3]=4 2410 B10R0.71 C/C=C/CCOCCCC#N 687a11247977cd606cf168d663cf1b14 [0,1,0,0,0,0|0,0,3]=4 2411 B10R0.71 C/C=C/CCOCCCC=O 46be8a5f234e47ed5f7141f11d130e36 [0,1,0,0,0,0|0,0,3]=4 2412 B10R0.71 C/C=C/CCOCCCCC b01a3aac6d31bf1181d3412f98b352d1 [0,1,0,0,0,0|0,0,1]=2 2413 B10R0.71 C/C=C/CCOCCCCF 0926564ddf9384633163943d107dc266 [0,1,0,0,0,0|0,0,2]=3 2414 B10R0.71 C/C=C/CCOCCCOC e143401afb4a42af7a2b5b3da7333c58 [0,1,0,0,0,0|0,0,2]=3 2415 B10R0.71 C/C=C/CCOCCCSC 7168c1bf70af6e8509d8357b12ea7a20 [0,1,0,0,0,0|0,0,2]=3 2416 B10R0.71 C/C=C/CCOCCOCC 2dc32af9d28d7709b9788abfcda74b3a [0,1,0,0,0,0|0,0,2]=3 2417 B10R0.71 C/C=C/CCOCCSCC 5937bb27e6bb3ee7337ee58bf6558520 [0,1,0,0,0,0|0,0,2]=3 2418 B10R0.71 C/C=C/CNCCCCCC 23f0bb0d5026d859ab84031e8dc94320 [0,1,0,0,0,0|1,0,2]=4 2419 B10R0.71 C/C=C/CNCCCCCCl 34e70a909abc8bd65eef5aac97369efb [0,1,0,0,0,0|1,0,2]=4 2420 B10R0.71 C/C=C/CNCCCCCO 3b414ec002c02d5801962f69c7be7167 [0,1,0,0,0,0|1,0,2]=4 2421 B10R0.71 C/C=C/CNCCCCOC 8a882d2cc6fecdc9e92df011cc25ce61 [0,1,0,0,0,0|1,0,2]=4 2422 B10R0.71 C/C=C/CNCCCCSC 09584e236987e88944071721017cb316 [0,1,0,0,0,0|1,0,2]=4 2423 B10R0.71 C/C=C/CNCCCOCC 57760dbec41e9af0da4748a5ceae0a38 [0,1,0,0,0,0|1,0,2]=4 2424 B10R0.71 C/C=C/CNCCOCCC d0706b3c3394af70d1b5d14cef3a1bef [0,1,0,0,0,0|1,0,2]=4 2425 B10R0.71 C/C=C/COC/C=C/CCC 57cb9616d038242c596e63556060f1bb [0,1,0,0,0,0|0,0,3]=4 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[0,1,0,0,0,0|0,0,2]=3 2438 B10R0.71 C/C=C/COCCCSCC 035c9004f7e5fe7c4fab47d56323f2f0 [0,1,0,0,0,0|0,0,2]=3 2439 B10R0.71 C/C=C/COCCOCCC a4562113d36185b2eea5cd5845cf1413 [0,1,0,0,0,0|0,0,2]=3 2440 B10R0.71 C/C=C/COCCOCCF db707205309d363b3edd69431f0bc195 [0,1,0,0,0,0|1,0,2]=4 2441 B10R0.71 C/C=C/COCCOCCS 1255ffeb889f8e7471a0b1af0c55d4f1 [0,1,0,0,0,0|1,0,2]=4 2442 B10R0.71 C/C=C/COCCOCOC 7ebf643d14770e99d221f9a947de4a2d [0,1,0,0,0,0|1,0,2]=4 2443 B10R0.71 C/C=C/COCCSCCC f6b494e214d8ce6b7ca5c21fbf8fb5bd [0,1,0,0,0,0|0,0,2]=3 2444 B10R0.71 C/C=C/COCOCCCC a891d38c7ee33010559a8d8c85a3553a [0,1,0,0,0,0|0,0,2]=3 2445 B10R0.71 C/C=C/COCOCCOC f5e674eac498a1e94ec91b3f6e5645cf [0,1,0,0,0,0|1,0,2]=4 2446 B10R0.71 C/C=C\CCCNCCCC a73db25df80dfe021f7d70c1fcec0182 [0,1,0,0,0,0|1,0,1]=3 2447 B10R0.71 C/C=C\CCCNCCCCl c71523e2f6ff3b899850d180eb919e28 [0,1,0,0,0,0|2,0,1]=4 2448 B10R0.71 C/C=C\CCCNCCCO b4531ab51d48c8a5bc8f6e2202d71e52 [0,1,0,0,0,0|2,0,1]=4 2449 B10R0.71 C/C=C\CCCNCCOC 4103bc3c54d734beb60732c7d8b40941 [0,1,0,0,0,0|2,0,1]=4 2450 B10R0.71 C/C=C\CCCNCCSC 13260e8164958487bf6cf5025d823041 [0,1,0,0,0,0|2,0,1]=4 2451 B10R0.71 C/C=C\CCCOC/C=C/C 17435a6ec8766b0dc8bd38bcdfd7cfff [0,1,0,0,0,0|0,0,3]=4 2452 B10R0.71 C/C=C\CCCOC/C=C\C 8759c88f44c7fa309b08382516bade26 [0,1,0,0,0,0|0,0,3]=4 2453 B10R0.71 C/C=C\CCCOCCC#N a71a343bf023feb878409d438876f8a8 [0,1,0,0,0,0|1,0,2]=4 2454 B10R0.71 C/C=C\CCCOCCC=O ab415cdd81ed9ccdd379943059deca49 [0,1,0,0,0,0|1,0,2]=4 2455 B10R0.71 C/C=C\CCCOCCCC fe2923e9d84b92616f7a73a5334d712d [0,1,0,0,0,0|0,0,1]=2 2456 B10R0.71 C/C=C\CCCOCCCF 0263f556249485aeea7c758772f520f9 [0,1,0,0,0,0|1,0,1]=3 2457 B10R0.71 C/C=C\CCCOCCCS 2447fbb80278e5f02f7f2115db273409 [0,1,0,0,0,0|1,0,1]=3 2458 B10R0.71 C/C=C\CCCOCCOC c600550e0f5b1e43c4ba3c75c0fe0720 [0,1,0,0,0,0|1,0,1]=3 2459 B10R0.71 C/C=C\CCCOCCSC 009f2b2c34ac901f15f8a4f4ea054ac4 [0,1,0,0,0,0|1,0,1]=3 2460 B10R0.71 C/C=C\CCCOCOCC 3318dde6af5b79793554ee1cabba701f [0,1,0,0,0,0|1,0,1]=3 2461 B10R0.71 C/C=C\CNCCCCCC 51c50a34f77d344a6f9e8db0e46ec177 [0,1,0,0,0,0|1,0,2]=4 2462 B10R0.71 C/C=C\CNCCCCCCl fa60a898021a1faa683c1d511e414e36 [0,1,0,0,0,0|1,0,2]=4 2463 B10R0.71 C/C=C\CNCCCCCO c6fef37b7d5f10483fd2df1e41d5d167 [0,1,0,0,0,0|1,0,2]=4 2464 B10R0.71 C/C=C\CNCCCCOC 2ba7332b31d9be2d0e9a0d2317c4cc11 [0,1,0,0,0,0|1,0,2]=4 2465 B10R0.71 C/C=C\CNCCCCSC e6bc056f32de43c8ee6a2bf96d14ace5 [0,1,0,0,0,0|1,0,2]=4 2466 B10R0.71 C/C=C\CNCCCOCC d9a510019b5f98d8bb8995c6efc5f861 [0,1,0,0,0,0|1,0,2]=4 2467 B10R0.71 C/C=C\CNCCOCCC 6dd38e0ce7e15599c03ad6795c3d2e9a [0,1,0,0,0,0|1,0,2]=4 2468 B10R0.71 C/C=C\COC/C=C/CCC 96c0099f2a824f5519d5ae82b7741135 [0,1,0,0,0,0|0,0,3]=4 2469 B10R0.71 C/C=C\COC/C=C\CCC 743769f6ab388708cea124d864b9b1e4 [0,1,0,0,0,0|0,0,3]=4 2470 B10R0.71 C/C=C\COCC#CCCC 1cfbd7653ea28524868fb46a3be05999 [0,1,0,0,0,0|0,0,3]=4 2471 B10R0.71 C/C=C\COCC/C=C/CC 1d0dedc0b89be954edd17fb1cb04b1e7 [0,1,0,0,0,0|0,0,3]=4 2472 B10R0.71 C/C=C\COCC/C=C\CC e69c55870a373fdf3f38e626544c4bc2 [0,1,0,0,0,0|0,0,3]=4 2473 B10R0.71 C/C=C\COCCC#CCC 581872fc7255212b999e037bbdbafbe2 [0,1,0,0,0,0|0,0,3]=4 2474 B10R0.71 C/C=C\COCCC/C=C/C 440cd13fe742beeb4aec0e62675436cd [0,1,0,0,0,0|0,0,3]=4 2475 B10R0.71 C/C=C\COCCCCC#N 90d89d77138bb8a4d83300661b3c98c2 [0,1,0,0,0,0|0,0,3]=4 2476 B10R0.71 C/C=C\COCCCCC=O 24a162bb69ad155abd28d7f92eba7dd3 [0,1,0,0,0,0|0,0,3]=4 2477 B10R0.71 C/C=C\COCCCCCC c3215f168781748ebc00617e7f23375f [0,1,0,0,0,0|0,0,2]=3 2478 B10R0.71 C/C=C\COCCCCCF b78f77597136d143decfd1b9249c153d [0,1,0,0,0,0|0,0,2]=3 2479 B10R0.71 C/C=C\COCCCCOC 8ed46d736ed818ee0c7887ce39dd85c2 [0,1,0,0,0,0|0,0,2]=3 2480 B10R0.71 C/C=C\COCCCCSC 7ee410e9047c8f71cd50248563785f04 [0,1,0,0,0,0|0,0,2]=3 2481 B10R0.71 C/C=C\COCCCOCC 1a22a083c5cc278ba0e1118e2308ca3d [0,1,0,0,0,0|0,0,2]=3 2482 B10R0.71 C/C=C\COCCCSCC 6cbdf18516c37475609aec53be04f4db [0,1,0,0,0,0|0,0,2]=3 2483 B10R0.71 C/C=C\COCCOCCC 4927ace517bafc274332a53d7d33d032 [0,1,0,0,0,0|0,0,2]=3 2484 B10R0.71 C/C=C\COCCOCCF 1bcb5c3682fe4e75715f7097bc795537 [0,1,0,0,0,0|1,0,2]=4 2485 B10R0.71 C/C=C\COCCOCCS 837b44a7be0294dd4e2de81fe470b8a9 [0,1,0,0,0,0|1,0,2]=4 2486 B10R0.71 C/C=C\COCCOCOC 747e42f0f95df4725dffeac8bf992494 [0,1,0,0,0,0|1,0,2]=4 2487 B10R0.71 C/C=C\COCCSCCC f07a0ea09d73da2e3440df0d7c9e421a [0,1,0,0,0,0|0,0,2]=3 2488 B10R0.71 C/C=C\COCOCCCC 4400dcff9a6e7ad41ae5596a1f927712 [0,1,0,0,0,0|0,0,2]=3 2489 B10R0.71 C/C=C\COCOCCOC 0f8e3ae8d1c15f2464f1cb0d95749d75 [0,1,0,0,0,0|1,0,2]=4 2490 B10R0.71 C=C=CCCOCCCCC 366b3b4bef56df509ebbeba1df57ca9c [0,1,0,0,0,0|0,0,2]=3 2491 B10R0.71 C=C=CCCOCCCCF 65971266ecf992385e960856141e8554 [0,1,0,0,0,0|0,0,3]=4 2492 B10R0.71 C=C=CCCOCCCOC 5d02327181ccb8421972f424a12ed24c [0,1,0,0,0,0|0,0,3]=4 2493 B10R0.71 C=C=CCCOCCCSC b593965fee5549676df5b047624f99d3 [0,1,0,0,0,0|0,0,3]=4 2494 B10R0.71 C=C=CCCOCCOCC 98887ed1a2b5c3934bd806eb73ac60d1 [0,1,0,0,0,0|0,0,3]=4 2495 B10R0.71 C=C=CCCOCCSCC c7e0a1cbbce69413c77307f18509cc56 [0,1,0,0,0,0|0,0,3]=4 2496 B10R0.71 C=CCCCCCCOCC 6dbc32c9d3b20eeb8cee0cf24e365bb6 [0,1,0,0,0,0|1,0,2]=4 2497 B10R0.71 C=CCCCCCNCCC 10e6b327fcac81e127610491b239e591 [0,1,0,0,0,0|1,0,2]=4 2498 B10R0.71 C=CCCCCCOCCC c368b69977ea0df80586838beccded89 [0,1,0,0,0,0|1,0,2]=4 2499 B10R0.71 C=CCCCCNCCCC 70afaf74cdc590f950a8db01489534df [0,1,0,0,0,0|1,0,1]=3 2500 B10R0.71 C=CCCCCNCCCCl 7af7e1af65edab0a6717c6b733cccc11 [0,1,0,0,0,0|2,0,1]=4 2501 B10R0.71 C=CCCCCNCCCF 8e0c86b3441409ec5487d6539b73b387 [0,1,0,0,0,0|2,0,1]=4 2502 B10R0.71 C=CCCCCNCCCO b18ea8f54bcf0000513f0386a3bb6063 [0,1,0,0,0,0|2,0,1]=4 2503 B10R0.71 C=CCCCCNCCCS e5431df90afe2bb79d627e5ea46397ca [0,1,0,0,0,0|2,0,1]=4 2504 B10R0.71 C=CCCCCNCCOC 786d3f09922ed6c0722700a1bd75b378 [0,1,0,0,0,0|2,0,1]=4 2505 B10R0.71 C=CCCCCNCCSC 01226b9c0d36f6bb1806bda8f3acb402 [0,1,0,0,0,0|2,0,1]=4 2506 B10R0.71 C=CCCCCNCOCC 51303c5783c3feb3f6855a2871b3540a [0,1,0,0,0,0|2,0,1]=4 2507 B10R0.71 C=CCCCCOC/C=C/C 8c165375cd561db84918789b359f451f [0,1,0,0,0,0|0,0,3]=4 2508 B10R0.71 C=CCCCCOC/C=C\C f91cc334e33c429e7b12087f94beaccf [0,1,0,0,0,0|0,0,3]=4 2509 B10R0.71 C=CCCCCOCC#CC 9366c5077f1f478ca35ff7d68a1a3a1b [0,1,0,0,0,0|0,0,3]=4 2510 B10R0.71 C=CCCCCOCC=CC ad9bd00385f76ac9e6759fecfe40079c [0,1,0,0,0,0|0,0,3]=4 2511 B10R0.71 C=CCCCCOCCC#N b719fb2ea639d0cf414843065ace3911 [0,1,0,0,0,0|1,0,2]=4 2512 B10R0.71 C=CCCCCOCCC=C ef4e5d72836270d47281b2e5d9605d16 [0,1,0,0,0,0|0,0,3]=4 2513 B10R0.71 C=CCCCCOCCC=O c6eb9fb2bd78e7e77bf2a5932883614a [0,1,0,0,0,0|1,0,2]=4 2514 B10R0.71 C=CCCCCOCCCC eb8efda51eb20afeb995d9abe3ad7654 [0,1,0,0,0,0|0,0,1]=2 2515 B10R0.71 C=CCCCCOCCCF 882effedca18ba9d76d5432268d28dd7 [0,1,0,0,0,0|1,0,1]=3 2516 B10R0.71 C=CCCCCOCCCS 4610456b9469d4f7a47d1de5e7c1a580 [0,1,0,0,0,0|1,0,1]=3 2517 B10R0.71 C=CCCCCOCCOC beaf1f660f7ab609a3dc41d5755c99ba [0,1,0,0,0,0|1,0,1]=3 2518 B10R0.71 C=CCCCCOCCSC 7e9a6d2a6cc0774d4201294a93f9f0c9 [0,1,0,0,0,0|1,0,1]=3 2519 B10R0.71 C=CCCCCOCOCC 6c9aff78c3a6f8b44539d4f844376310 [0,1,0,0,0,0|1,0,1]=3 2520 B10R0.71 C=CCCCNCCCCC 4a774e72e8691531f796e4ee77ce73c0 [0,1,0,0,0,0|1,0,1]=3 2521 B10R0.71 C=CCCCNCCCCCl 1b109389c014c694ea933d73567abda3 [0,1,0,0,0,0|1,0,2]=4 2522 B10R0.71 C=CCCCNCCCCF 029bc42d8a0b683e267a8eb12b743875 [0,1,0,0,0,0|1,0,2]=4 2523 B10R0.71 C=CCCCNCCCCO f895e67e13a89b3cac3415d11f625144 [0,1,0,0,0,0|1,0,2]=4 2524 B10R0.71 C=CCCCNCCCCS ac2ec8045b3c43a624981479a96f5ca7 [0,1,0,0,0,0|1,0,2]=4 2525 B10R0.71 C=CCCCNCCCOC a7f009dc279f74d049c98f6d37a588b9 [0,1,0,0,0,0|1,0,2]=4 2526 B10R0.71 C=CCCCNCCCSC 9e01f8d4bd65ed7f2d8e2ca572bfc08a [0,1,0,0,0,0|1,0,2]=4 2527 B10R0.71 C=CCCCNCCOCC 62ea0dd704158d31de06de291bc63a20 [0,1,0,0,0,0|1,0,2]=4 2528 B10R0.71 C=CCCCNCCSCC 29c7159c4e6223fa58843144aa147917 [0,1,0,0,0,0|1,0,2]=4 2529 B10R0.71 C=CCCCOC/C=C/CC a5e416301f67fbeecf3884a65c1e75d5 [0,1,0,0,0,0|0,0,3]=4 2530 B10R0.71 C=CCCCOC/C=C\CC 5817bbc19275d674c88e7be04dfb2e91 [0,1,0,0,0,0|0,0,3]=4 2531 B10R0.71 C=CCCCOCC#CCC b887edeca7c4c4d1e71affe58bfc14a9 [0,1,0,0,0,0|0,0,3]=4 2532 B10R0.71 C=CCCCOCC/C=C/C 916dde146cf16e6009a56ecc85109198 [0,1,0,0,0,0|0,0,3]=4 2533 B10R0.71 C=CCCCOCCC#CC 84a2f27b05ff9e259b30c0bcbd0b9195 [0,1,0,0,0,0|0,0,3]=4 2534 B10R0.71 C=CCCCOCCCC#N 6a0ea633a21e1790206e5c11f6419c59 [0,1,0,0,0,0|0,0,3]=4 2535 B10R0.71 C=CCCCOCCCC=C e92a772fc1bf716031a691127e44b3c7 [0,1,0,0,0,0|0,0,3]=4 2536 B10R0.71 C=CCCCOCCCC=O ac2ab3e9791e20bb61b6db6076e36f71 [0,1,0,0,0,0|0,0,3]=4 2537 B10R0.71 C=CCCCOCCCCC 63a6d257d062f7533d7c287ac671b0fd [0,1,0,0,0,0|0,0,1]=2 2538 B10R0.71 C=CCCCOCCCCF 952a847e61654223bb0241852f015143 [0,1,0,0,0,0|0,0,2]=3 2539 B10R0.71 C=CCCCOCCCCS f09d3b032011a0a9e18545d5583de1ca [0,1,0,0,0,0|0,0,2]=3 2540 B10R0.71 C=CCCCOCCCOC d7deb59385122a839a8401306610164a [0,1,0,0,0,0|0,0,2]=3 2541 B10R0.71 C=CCCCOCCCSC ad51f8f942451d088b0e431034c1e47a [0,1,0,0,0,0|0,0,2]=3 2542 B10R0.71 C=CCCCOCCOCC ca9ee4097e2a67b08c0160ac163b8609 [0,1,0,0,0,0|0,0,2]=3 2543 B10R0.71 C=CCCCOCCSCC 27e062ab7235ed703545608430a82314 [0,1,0,0,0,0|0,0,2]=3 2544 B10R0.71 C=CCCNCCCCCC 76e5dd4d3273056eb014515e2136d33d [0,1,0,0,0,0|1,0,2]=4 2545 B10R0.71 C=CCCNCCCCCCl f24a979e2bc618bda77c9da3df558937 [0,1,0,0,0,0|1,0,2]=4 2546 B10R0.71 C=CCCNCCCCCF f4440dbd77cf312ed56e47e12976f870 [0,1,0,0,0,0|1,0,2]=4 2547 B10R0.71 C=CCCNCCCCCO 62f9adf3d7c33e75a7a4174782adecbf [0,1,0,0,0,0|1,0,2]=4 2548 B10R0.71 C=CCCNCCCCOC 6ab83d32bf7be366cc7c4768404e0809 [0,1,0,0,0,0|1,0,2]=4 2549 B10R0.71 C=CCCNCCCCSC 161d280e5306f8cf5463229ad260169c [0,1,0,0,0,0|1,0,2]=4 2550 B10R0.71 C=CCCNCCCOCC b39e8cdd61b4a3c9315e9d70a2cbd65f [0,1,0,0,0,0|1,0,2]=4 2551 B10R0.71 C=CCCNCCCSCC 3b56015ae375511aaf56970d70861c13 [0,1,0,0,0,0|1,0,2]=4 2552 B10R0.71 C=CCCNCCOCCC 25cbce5d53836cf04b1e9eb740c13274 [0,1,0,0,0,0|1,0,2]=4 2553 B10R0.71 C=CCCNCOCCCC 86099dee29166c8afb9c107bd9b94389 [0,1,0,0,0,0|0,0,2]=3 2554 B10R0.71 C=CCCNCOCCOC 6331d3483369178d21c4850b8319a274 [0,1,0,0,0,0|1,0,2]=4 2555 B10R0.71 C=CCCOC/C=C/CCC 618649947fea0d801d9356a95531d28f [0,1,0,0,0,0|0,0,3]=4 2556 B10R0.71 C=CCCOC/C=C\CCC aad1eb57de7775b6b794709f42dc02d3 [0,1,0,0,0,0|0,0,3]=4 2557 B10R0.71 C=CCCOCC#CCCC a7eada5f166dd2e3e2c3b8a20ebb5563 [0,1,0,0,0,0|0,0,3]=4 2558 B10R0.71 C=CCCOCC/C=C/CC 34e932e8340213e918b96915d5caa9f2 [0,1,0,0,0,0|0,0,3]=4 2559 B10R0.71 C=CCCOCC/C=C\CC 6c8897552831f137e84ed17b901023a1 [0,1,0,0,0,0|0,0,3]=4 2560 B10R0.71 C=CCCOCCC#CCC 9b2f456253d35dd882c844cf2bbe184a [0,1,0,0,0,0|0,0,3]=4 2561 B10R0.71 C=CCCOCCC/C=C/C 366adcae3df75a7151ff9428c4c5c140 [0,1,0,0,0,0|0,0,3]=4 2562 B10R0.71 C=CCCOCCC/C=C\C 6f6ba2c3652beccce2db6344401ac97b [0,1,0,0,0,0|0,0,3]=4 2563 B10R0.71 C=CCCOCCCC#CC 604fdfbb1b90f5e5f47e9b7327769f8f [0,1,0,0,0,0|0,0,3]=4 2564 B10R0.71 C=CCCOCCCC=CC ae9a837aec567c1fa3fbc294bf721a77 [0,1,0,0,0,0|0,0,3]=4 2565 B10R0.71 C=CCCOCCCCC#N 053f6073d88c7f6f6c9ebdc150f113eb [0,1,0,0,0,0|0,0,3]=4 2566 B10R0.71 C=CCCOCCCCC=O e2033db401aa897564a821f32794cad1 [0,1,0,0,0,0|0,0,3]=4 2567 B10R0.71 C=CCCOCCCCCC 8814dfd80f4d64b7d70e638ca2c0b882 [0,1,0,0,0,0|0,0,2]=3 2568 B10R0.71 C=CCCOCCCCCF cfc3c428871d275f9e4b4b3dbc1b497a [0,1,0,0,0,0|0,0,2]=3 2569 B10R0.71 C=CCCOCCCCOC ad566a33374e76128a9847d1fb0443f7 [0,1,0,0,0,0|0,0,2]=3 2570 B10R0.71 C=CCCOCCCCSC 57509db3b18f2853353a533d0e0b566c [0,1,0,0,0,0|0,0,2]=3 2571 B10R0.71 C=CCCOCCCOCC b2c88cfa57bfadeeaee796424e50f5e4 [0,1,0,0,0,0|0,0,2]=3 2572 B10R0.71 C=CCCOCCCSCC a77239e8331c15c431fe09cc9b1883ff [0,1,0,0,0,0|0,0,2]=3 2573 B10R0.71 C=CCCOCCOCCC a215d287aabcc25785a7e7ead8bace8c [0,1,0,0,0,0|0,0,2]=3 2574 B10R0.71 C=CCCOCCOCCF c031c1a4b5a0a80bb4227aac31c8b927 [0,1,0,0,0,0|1,0,2]=4 2575 B10R0.71 C=CCCOCCOCCS 684e9d8b60dfab3403ab6fc0ab40f882 [0,1,0,0,0,0|1,0,2]=4 2576 B10R0.71 C=CCCOCCOCOC bd60dc579fa5cdf005fb4c2773b35b06 [0,1,0,0,0,0|1,0,2]=4 2577 B10R0.71 C=CCCOCCSCCC c41fc4981244c2bc8021af470203300f [0,1,0,0,0,0|0,0,2]=3 2578 B10R0.71 C=CCCOCOCCCC f6dccb17feb468898b2eba86d86ac26e [0,1,0,0,0,0|0,0,2]=3 2579 B10R0.71 C=CCCOCOCCOC 8009a14fe7f05bfed99fec33a3b5bc65 [0,1,0,0,0,0|1,0,2]=4 2580 B10R0.71 C=CCNCCCCCCC 2a2fd85d2768fa551513c1f6e6f4458d [0,1,0,0,0,0|1,0,2]=4 2581 B10R0.71 C=CCNCCOCCCC 35f0986719b3f9a8c793b5807b5a8184 [0,1,0,0,0,0|0,0,2]=3 2582 B10R0.71 C=CCNCCOCCCO d6f4cb33b769bde4d9d3331124e74e33 [0,1,0,0,0,0|1,0,2]=4 2583 B10R0.71 C=CCNCCOCCOC 2ce2c68e5cccfe76e1b1495928e41b20 [0,1,0,0,0,0|1,0,2]=4 2584 B10R0.71 C=CCOCCCCCCC 817dc73f818a9c2b13aa69014917ad92 [0,1,0,0,0,0|1,0,2]=4 2585 B10R0.71 C=CCOCCNCCCC e0570ef9f8739d6bbd2a74a6f96e9cc4 [0,1,0,0,0,0|1,0,2]=4 2586 B10R0.71 C=CCOCCOCCCC e98f10a71c7642e93a50bfdf835e4866 [0,1,0,0,0,0|0,0,2]=3 2587 B10R0.71 C=CCOCCOCCCF 45444bb843588a497db8e3f821c4507d [0,1,0,0,0,0|1,0,2]=4 2588 B10R0.71 C=CCOCCOCCCS 3ea101366c41b3cd99ceae17af5c2fd5 [0,1,0,0,0,0|1,0,2]=4 2589 B10R0.71 C=CCOCCOCCOC 7b1daef4b92fe776b06e0740dccd09d2 [0,1,0,0,0,0|1,0,2]=4 2590 B10R0.71 C=CCOCCOCCSC 04887bd3a0ba473c626a99ea29cc569a [0,1,0,0,0,0|1,0,2]=4 2591 B10R0.71 C=CCOCCOCOCC 08833c042b257a653dde0b736f237c42 [0,1,0,0,0,0|1,0,2]=4 2592 B10R0.71 C=CCOCCSCCCC 50145e0a8a07b0f7e86e2d532683b9de [0,1,0,0,0,0|0,1,2]=4 2593 B10R0.71 C=COCCCNCCCC 966b6b85202649a3e5dbe59bfd7541e2 [0,1,0,0,0,0|1,0,2]=4 2594 B10R0.71 C=COCCNCCCCC 38c3a227ee0b31b1e34558e1e2def1c6 [0,1,0,0,0,0|1,0,2]=4 2595 B10R0.71 C=COCCOCCCCC 30fae63f28005e24e70d255fb5a94d91 [0,1,0,0,0,0|0,0,2]=3 2596 B10R0.71 C=COCCOCCCCF 4ce6a3258795006c1583b6d34d8709d4 [0,1,0,0,0,0|1,0,2]=4 2597 B10R0.71 C=COCCOCCCOC af80db0d641a997c436e1666ad23bffa [0,1,0,0,0,0|1,0,2]=4 2598 B10R0.71 C=COCCOCCCSC 4363563f8e6b463cbeab6e43f4ae42a4 [0,1,0,0,0,0|1,0,2]=4 2599 B10R0.71 C=COCCOCCOCC 059c1f1d846eee2d66646c6e21b807c9 [0,1,0,0,0,0|1,0,2]=4 2600 B10R0.71 C=COCCOCCSCC bf3cbf8365300adf0c4775d1386cbf71 [0,1,0,0,0,0|1,0,2]=4 2601 B10R0.71 CC#CCCCOC/C=C/C bcf0b8f0ff380820f0c5504387059c34 [0,1,0,0,0,0|0,0,3]=4 2602 B10R0.71 CC#CCCCOC/C=C\C f4017ec446e833a630d4cb13c0356c6b [0,1,0,0,0,0|0,0,3]=4 2603 B10R0.71 CC#CCCCOCC#CC 9057775eab60167bb06b312b61b25bd4 [0,1,0,0,0,0|0,0,3]=4 2604 B10R0.71 CC#CCCCOCC=CC 380e226b37a8df55388c4e12e3ad1ecf [0,1,0,0,0,0|0,0,3]=4 2605 B10R0.71 CC#CCCCOCCC#N 92b6c3a18bd5c872ebf60d7cc47b207b [0,1,0,0,0,0|1,0,2]=4 2606 B10R0.71 CC#CCCCOCCC=O c4158c333bfea008c1a14c25059383c0 [0,1,0,0,0,0|1,0,2]=4 2607 B10R0.71 CC#CCCCOCCCC 0cd09975349b87add68248cd144b30c2 [0,1,0,0,0,0|0,0,1]=2 2608 B10R0.71 CC#CCCCOCCCF 44dcd065708cf27770f733f6c398d915 [0,1,0,0,0,0|1,0,1]=3 2609 B10R0.71 CC#CCCCOCCCS 80063bfef872e2e7d9160f238736d854 [0,1,0,0,0,0|1,0,1]=3 2610 B10R0.71 CC#CCCCOCCOC 791d5d35e9824121c83b78315e4f3a9a [0,1,0,0,0,0|1,0,1]=3 2611 B10R0.71 CC#CCCCOCCSC 33e09483e54563cbc90e216a2d1c73d3 [0,1,0,0,0,0|1,0,1]=3 2612 B10R0.71 CC#CCCCOCOCC 950ab5940510ae285ebbdc38296a77e2 [0,1,0,0,0,0|1,0,1]=3 2613 B10R0.71 CC#CCCOC/C=C/CC b4baa62ae288f9da0ab3cd2c04469571 [0,1,0,0,0,0|0,0,3]=4 2614 B10R0.71 CC#CCCOCC#CCC ddb47fd2109219918da7142d167780dc [0,1,0,0,0,0|0,0,3]=4 2615 B10R0.71 CC#CCCOCCCC#N c99acb88c69f95a21dda24dcaf0350a6 [0,1,0,0,0,0|0,0,3]=4 2616 B10R0.71 CC#CCCOCCCC=O 5bbb98deec173a005b309123b37e9108 [0,1,0,0,0,0|0,0,3]=4 2617 B10R0.71 CC#CCCOCCCCC b5ed7155c2adc6b90ea378c870b7c568 [0,1,0,0,0,0|0,0,1]=2 2618 B10R0.71 CC#CCCOCCCCF af0f5bb628af55323d4137ac4a95923f [0,1,0,0,0,0|0,0,2]=3 2619 B10R0.71 CC#CCCOCCCOC 326f1035c27f3f7b80c12514bc796cd7 [0,1,0,0,0,0|0,0,2]=3 2620 B10R0.71 CC#CCCOCCCSC a27656484203ab1bb4ec685f527a52af [0,1,0,0,0,0|0,0,2]=3 2621 B10R0.71 CC#CCCOCCOCC e2da64155934fb1335fcb1826b751850 [0,1,0,0,0,0|0,0,2]=3 2622 B10R0.71 CC#CCCOCCSCC 38c5c8d4af4f63cdaad8b6d96e35089b [0,1,0,0,0,0|0,0,2]=3 2623 B10R0.71 CC#CCNCCCCCC f59c0ab09e3e7e94730db0a687976215 [0,1,0,0,0,0|1,0,2]=4 2624 B10R0.71 CC#CCNCCCCCF bd03502e0a6038b61e3535e16d616860 [0,1,0,0,0,0|1,0,2]=4 2625 B10R0.71 CC#CCNCCCCCO cdda51feffd42fd245b81182352d87a2 [0,1,0,0,0,0|1,0,2]=4 2626 B10R0.71 CC#CCNCCCCOC 48820106f6b2026a16ec970399081bf8 [0,1,0,0,0,0|1,0,2]=4 2627 B10R0.71 CC#CCNCCCOCC 470085525660c2c71e05907bb7550528 [0,1,0,0,0,0|1,0,2]=4 2628 B10R0.71 CC#CCNCCCSCC 325ba4158080163dfae2284864550cd9 [0,1,0,0,0,0|1,0,2]=4 2629 B10R0.71 CC#CCNCCOCCC 60f36c873b7ef6a859570d7a9a111ce5 [0,1,0,0,0,0|1,0,2]=4 2630 B10R0.71 CC#CCNCOCCCC 79500ad2fdcef93e1f394a7a6349e7d3 [0,1,0,0,0,0|0,0,2]=3 2631 B10R0.71 CC#CCNCOCCOC 70a10dde7989aeaee1d8a1764a889295 [0,1,0,0,0,0|1,0,2]=4 2632 B10R0.71 CC#CCOC/C=C/CCC dacbc2fd9968ef6e6c639beb34e19eab [0,1,0,0,0,0|0,0,3]=4 2633 B10R0.71 CC#CCOC/C=C\CCC 6f8f70dd3cff9ecb4a102b6a400bfcbd [0,1,0,0,0,0|0,0,3]=4 2634 B10R0.71 CC#CCOCC/C=C\CC 808dd0f31617c96f61b90c4c3f9c935f [0,1,0,0,0,0|0,0,3]=4 2635 B10R0.71 CC#CCOCCC/C=C/C 9a5ccdff479173ea3e9a0c37986954ae [0,1,0,0,0,0|0,0,3]=4 2636 B10R0.71 CC#CCOCCC/C=C\C 1128316ce3066c5c94e3b1e6779418d2 [0,1,0,0,0,0|0,0,3]=4 2637 B10R0.71 CC#CCOCCCC=CC 90726e8b0b6ceefe052823ea37f19048 [0,1,0,0,0,0|0,0,3]=4 2638 B10R0.71 CC#CCOCCCCC#N 467bf22861137fbfb91ec8ecbd0512d2 [0,1,0,0,0,0|0,0,3]=4 2639 B10R0.71 CC#CCOCCCCC=O 4acd5c60d7061a3a747e7866ed28b4b1 [0,1,0,0,0,0|0,0,3]=4 2640 B10R0.71 CC#CCOCCCCCC ca5f1de5554f737f5c88d67d2baa3847 [0,1,0,0,0,0|0,0,2]=3 2641 B10R0.71 CC#CCOCCCCCF 4e29eabed142e3bcba7848fb9a9049da [0,1,0,0,0,0|0,0,2]=3 2642 B10R0.71 CC#CCOCCCCOC e9949da11267095fccfaa514193164c1 [0,1,0,0,0,0|0,0,2]=3 2643 B10R0.71 CC#CCOCCCCSC c6278973a92c8e9770f3d240204a5b51 [0,1,0,0,0,0|0,0,2]=3 2644 B10R0.71 CC#CCOCCCOCC 2e6c6bbdd6672568d70a786ddc90469e [0,1,0,0,0,0|0,0,2]=3 2645 B10R0.71 CC#CCOCCCSCC 2583c908473027612a1fb525b2ace8e9 [0,1,0,0,0,0|0,0,2]=3 2646 B10R0.71 CC#CCOCCOCCC 9c4f6167eafe98668e7c729eea968dbf [0,1,0,0,0,0|0,0,2]=3 2647 B10R0.71 CC#CCOCCOCCF 5a3c998a2df9b3d716d9020e3d74e0f0 [0,1,0,0,0,0|1,0,2]=4 2648 B10R0.71 CC#CCOCCOCCS 310efe809dd3265fbe29a4ba7a9162be [0,1,0,0,0,0|1,0,2]=4 2649 B10R0.71 CC#CCOCCOCOC f5bf00d9c784b80f48a3c08b556aa9e3 [0,1,0,0,0,0|1,0,2]=4 2650 B10R0.71 CC#CCOCOCCCC 9783d149b027c807dec875f58c5dd269 [0,1,0,0,0,0|0,0,2]=3 2651 B10R0.71 CC#CCOCOCCOC e0043cca1040c5f27967b70856deec80 [0,1,0,0,0,0|1,0,2]=4 2652 B10R0.71 CC/C=C/CCOCCC#N f73f0b4079b08a2f55b9f71bc1349fc5 [0,1,0,0,0,0|1,0,2]=4 2653 B10R0.71 CC/C=C/CCOCCC=O 6872b8e489d755d1798fb75aec622df4 [0,1,0,0,0,0|1,0,2]=4 2654 B10R0.71 CC/C=C/CCOCCCC c8bbe4a116e9837c5acb0bd130d88747 [0,1,0,0,0,0|0,0,1]=2 2655 B10R0.71 CC/C=C/CCOCCCF 88ecb959ca18d6af5da622832f1b87e9 [0,1,0,0,0,0|1,0,1]=3 2656 B10R0.71 CC/C=C/CCOCCCS 2d2a5e2c573307f1405dd0f398018841 [0,1,0,0,0,0|1,0,1]=3 2657 B10R0.71 CC/C=C/CCOCCOC 357931dbf492ba690ab5ab15f3f25efc [0,1,0,0,0,0|1,0,1]=3 2658 B10R0.71 CC/C=C/CCOCCSC 27ca4bac73680406675dffc3e2b09158 [0,1,0,0,0,0|1,0,1]=3 2659 B10R0.71 CC/C=C/CCOCOCC 5bbf3b2e62d730268265b4908a34cbee [0,1,0,0,0,0|1,0,1]=3 2660 B10R0.71 CC/C=C/CNCCCCC 396ae7fd2aad2d3062225091f1ed8121 [0,1,0,0,0,0|1,0,1]=3 2661 B10R0.71 CC/C=C/CNCCCCCl b42c2c34e27433fc2354da416eb9469c [0,1,0,0,0,0|1,0,2]=4 2662 B10R0.71 CC/C=C/CNCCCCO 30e9e1d97d59f6d1e084daccf819227a [0,1,0,0,0,0|1,0,2]=4 2663 B10R0.71 CC/C=C/CNCCCCS 86ba226c0d5f01c0e9f63d09ca7eb4f3 [0,1,0,0,0,0|1,0,2]=4 2664 B10R0.71 CC/C=C/CNCCCOC 89084ae6baa3dcc2210a4bb5cb58fb9e [0,1,0,0,0,0|1,0,2]=4 2665 B10R0.71 CC/C=C/CNCCCSC abed8c05e1d5942be751db3d23883d85 [0,1,0,0,0,0|1,0,2]=4 2666 B10R0.71 CC/C=C/CNCCOCC 66cc2c7e3860239ceb96479968ac55f1 [0,1,0,0,0,0|1,0,2]=4 2667 B10R0.71 CC/C=C/CNCCSCC bd4236c4231b6d05bb3c27618d566cdf [0,1,0,0,0,0|1,0,2]=4 2668 B10R0.71 CC/C=C/COC/C=C/CC 92878b2f196e753b5f98a0bdc3fcafb6 [0,1,0,0,0,0|0,0,3]=4 2669 B10R0.71 CC/C=C/COCCCC#N 2d29f550dc5a5877cc25f7409c0ab3cf [0,1,0,0,0,0|0,0,3]=4 2670 B10R0.71 CC/C=C/COCCCC=O 829bce9be10f62a1676336886e3aa317 [0,1,0,0,0,0|0,0,3]=4 2671 B10R0.71 CC/C=C/COCCCCC 4244476ee625bb91d4c75005fa57b26a [0,1,0,0,0,0|0,0,1]=2 2672 B10R0.71 CC/C=C/COCCCCF 1dc81d22ea6c57418304e0917a0631f2 [0,1,0,0,0,0|0,0,2]=3 2673 B10R0.71 CC/C=C/COCCCCS 07e5800718cf1f4b5355166f60667667 [0,1,0,0,0,0|0,0,2]=3 2674 B10R0.71 CC/C=C/COCCCOC da9a60c9a4f386a7d1a509a02b8e1091 [0,1,0,0,0,0|0,0,2]=3 2675 B10R0.71 CC/C=C/COCCCSC 554c810278825b7f95800a92c8ae421b [0,1,0,0,0,0|0,0,2]=3 2676 B10R0.71 CC/C=C/COCCOCC 9a5afd7f01e126d7e19bfb079674ce6a [0,1,0,0,0,0|0,0,2]=3 2677 B10R0.71 CC/C=C/COCCSCC a16cb8768dc153c0d5da120184491196 [0,1,0,0,0,0|0,0,2]=3 2678 B10R0.71 CC/C=C\CCCCOCC 6f672bd2ab358cb454803e83d5c0e284 [0,1,0,0,0,0|1,0,2]=4 2679 B10R0.71 CC/C=C\CCCOCCC 7fa768d31f02c71335efb28537f1ed87 [0,1,0,0,0,0|1,0,2]=4 2680 B10R0.71 CC/C=C\CCNCCCC c4f059f6ebacdc59905230714b6eff68 [0,1,0,0,0,0|1,0,1]=3 2681 B10R0.71 CC/C=C\CCNCCCCl 51cddba674b0299a3a928cf64999c244 [0,1,0,0,0,0|2,0,1]=4 2682 B10R0.71 CC/C=C\CCNCCCO 289e512a3da0d8201ff3b6a7f6c8a4e6 [0,1,0,0,0,0|2,0,1]=4 2683 B10R0.71 CC/C=C\CCNCCOC 898274d4166e713a95b39d4ba4ddea68 [0,1,0,0,0,0|2,0,1]=4 2684 B10R0.71 CC/C=C\CCNCCSC 15772fe2a7784e8cbd0582b1e3089109 [0,1,0,0,0,0|2,0,1]=4 2685 B10R0.71 CC/C=C\CCOCCC#N c2387d7b7248947432ca79d467ca0131 [0,1,0,0,0,0|1,0,2]=4 2686 B10R0.71 CC/C=C\CCOCCC=O d85d7dfe4e2e6e8d032a753a156249ad [0,1,0,0,0,0|1,0,2]=4 2687 B10R0.71 CC/C=C\CCOCCCC 8e83903dc8b2dc055f80be84ab4a3d9c [0,1,0,0,0,0|0,0,1]=2 2688 B10R0.71 CC/C=C\CCOCCCF 4430bc766f9eb0d9c26980dd0840755d [0,1,0,0,0,0|1,0,1]=3 2689 B10R0.71 CC/C=C\CCOCCCS a1e1396ab724ae1f920f1f57a0489d4e [0,1,0,0,0,0|1,0,1]=3 2690 B10R0.71 CC/C=C\CCOCCOC 1a6120bf2aea14ad94a33580626ee6c2 [0,1,0,0,0,0|1,0,1]=3 2691 B10R0.71 CC/C=C\CCOCCSC 035739549145efd9748ebd13a7349bf7 [0,1,0,0,0,0|1,0,1]=3 2692 B10R0.71 CC/C=C\CCOCOCC 0feba21b91979670cd9ecf6b8a0bbf3f [0,1,0,0,0,0|1,0,1]=3 2693 B10R0.71 CC/C=C\COC/C=C/CC 3e9e707d6092368519a29ee0f99c7f32 [0,1,0,0,0,0|0,0,3]=4 2694 B10R0.71 CC/C=C\COCCCC#N 8f461370f50941d925919910983555e1 [0,1,0,0,0,0|0,0,3]=4 2695 B10R0.71 CC/C=C\COCCCC=O 7aa3cddfd58e704fd000ac2756cf879c [0,1,0,0,0,0|0,0,3]=4 2696 B10R0.71 CC/C=C\COCCCCC 273210e5829d96509e829e222979bc8b [0,1,0,0,0,0|0,0,1]=2 2697 B10R0.71 CC/C=C\COCCCCF cceb6301c3fc703ee59d20a210d8e3fb [0,1,0,0,0,0|0,0,2]=3 2698 B10R0.71 CC/C=C\COCCCOC 2778db8b130f5c046c26bb8e26950712 [0,1,0,0,0,0|0,0,2]=3 2699 B10R0.71 CC/C=C\COCCCSC ffcfb2f3c5f9bdd080c465251703b682 [0,1,0,0,0,0|0,0,2]=3 2700 B10R0.71 CC/C=C\COCCOCC 1548c7429369ffcb40b777378cae9d6b [0,1,0,0,0,0|0,0,2]=3 2701 B10R0.71 CC/C=C\COCCSCC bf420840e62c6002d6099f83c76d210d [0,1,0,0,0,0|0,0,2]=3 2702 B10R0.71 CC=C=CCCOCCCC 49a0b70400a78c3414989a3230bb7ded [0,1,0,0,0,0|0,0,2]=3 2703 B10R0.71 CC=C=CCCOCCCF a720f7a1d2c4983c7a83ec827fe94745 [0,1,0,0,0,0|1,0,2]=4 2704 B10R0.71 CC=C=CCCOCCCS 14b02cab9cbd4699fa2452737d4febb1 [0,1,0,0,0,0|1,0,2]=4 2705 B10R0.71 CC=C=CCCOCCOC 330b9a7503c44055c7c5aed285443ae7 [0,1,0,0,0,0|1,0,2]=4 2706 B10R0.71 CC=C=CCCOCCSC 9b55f0072d0d3b2b3e4f613ddd0ad25c [0,1,0,0,0,0|1,0,2]=4 2707 B10R0.71 CC=C=CCCOCOCC 8e4dfbfb39a032270ba4d4e47f075316 [0,1,0,0,0,0|1,0,2]=4 2708 B10R0.71 CC=CC=CCOCCCC b2db690d4b1d749e1abe5e187adedbf9 [0,1,0,0,0,0|0,0,3]=4 2709 B10R0.71 CC=CCCCOC/C=C/C 2eebedf1194de72259e07cecc44bebee [0,1,0,0,0,0|0,0,3]=4 2710 B10R0.71 CC=CCCCOC/C=C\C 75d2a1890ba6a26f778e9e505819af81 [0,1,0,0,0,0|0,0,3]=4 2711 B10R0.71 CC=CCCCOCCC#N 777a44645733848135c646602a37d932 [0,1,0,0,0,0|1,0,2]=4 2712 B10R0.71 CC=CCCCOCCC=O 97c9f6fdd6a4de3b92d2d85ba134118f [0,1,0,0,0,0|1,0,2]=4 2713 B10R0.71 CC=CCCCOCCCC b937b4ad4c5d1a608e7129c714e871ac [0,1,0,0,0,0|0,0,1]=2 2714 B10R0.71 CC=CCCCOCCCF 16d9fe65fb329901984b9f5ccb0df9f5 [0,1,0,0,0,0|1,0,1]=3 2715 B10R0.71 CC=CCCCOCCCS 6f970c0dec99fbeb2e03ddd053bf02bf [0,1,0,0,0,0|1,0,1]=3 2716 B10R0.71 CC=CCCCOCCOC b4e1f8e3e62e736ff84994d5db86edfd [0,1,0,0,0,0|1,0,1]=3 2717 B10R0.71 CC=CCCCOCCSC 82a74332ea20677632c9a5f3968ca0df [0,1,0,0,0,0|1,0,1]=3 2718 B10R0.71 CC=CCCCOCOCC ce18cc2f8305789fea2ff09deb10f66d [0,1,0,0,0,0|1,0,1]=3 2719 B10R0.71 CC=CCNCCCCCC a2b3321184d80eccc150605d97b3fa96 [0,1,0,0,0,0|1,0,2]=4 2720 B10R0.71 CC=CCNCCCCCF 2fc90548617a46c38dd4ce75727541b5 [0,1,0,0,0,0|1,0,2]=4 2721 B10R0.71 CC=CCNCCCCCO f0a11ba6218259a4b6b28ec12dc6ddff [0,1,0,0,0,0|1,0,2]=4 2722 B10R0.71 CC=CCNCCCCOC 52529efcf532914f69d46c6f4b0d9a15 [0,1,0,0,0,0|1,0,2]=4 2723 B10R0.71 CC=CCNCCCOCC 962cbe1d82aec2012d8ab8054a0d8443 [0,1,0,0,0,0|1,0,2]=4 2724 B10R0.71 CC=CCNCCCSCC 78e2cb135e9bffe539deb2c9e761eeca [0,1,0,0,0,0|1,0,2]=4 2725 B10R0.71 CC=CCNCCOCCC bb799165fcac71998a32b741f73b3b5d [0,1,0,0,0,0|1,0,2]=4 2726 B10R0.71 CC=CCNCOCCCC 7c162e9cfd7fdcb232db84370f057f40 [0,1,0,0,0,0|0,0,2]=3 2727 B10R0.71 CC=CCNCOCCOC fd71c2b64b0743cf6e463c2b3fde6792 [0,1,0,0,0,0|1,0,2]=4 2728 B10R0.71 CC=CCOC/C=C/CCC 801068839f22d81f67bd3c12763d82f0 [0,1,0,0,0,0|0,0,3]=4 2729 B10R0.71 CC=CCOC/C=C\CCC 55db526c1c08b156db9bcd25848ea09f [0,1,0,0,0,0|0,0,3]=4 2730 B10R0.71 CC=CCOCC/C=C\CC 75e1755252a27204ec39b2f227ebda40 [0,1,0,0,0,0|0,0,3]=4 2731 B10R0.71 CC=CCOCCC/C=C\C 852e14b23b4dd3523a19472f8f7c57f8 [0,1,0,0,0,0|0,0,3]=4 2732 B10R0.71 CC=CCOCCCCC#N e99a2c6b1488870bf647bcd7f9eb01b2 [0,1,0,0,0,0|0,0,3]=4 2733 B10R0.71 CC=CCOCCCCC=O 85eab19089cebb2153fb1e7f93e60c1a [0,1,0,0,0,0|0,0,3]=4 2734 B10R0.71 CC=CCOCCCCCC a58ad78e13367fd9a0795b0d0efdc386 [0,1,0,0,0,0|0,0,2]=3 2735 B10R0.71 CC=CCOCCCCCF dac1e20b68e93275e9f1b17164a54aea [0,1,0,0,0,0|0,0,2]=3 2736 B10R0.71 CC=CCOCCCCOC f4387a5dfc7c4479aeab4e78309c2494 [0,1,0,0,0,0|0,0,2]=3 2737 B10R0.71 CC=CCOCCCOCC 0d0be3941202e60c262ecb35ae7eef67 [0,1,0,0,0,0|0,0,2]=3 2738 B10R0.71 CC=CCOCCCSCC 91a74a7d47ada80b0fcbc3c2e16532be [0,1,0,0,0,0|0,0,2]=3 2739 B10R0.71 CC=CCOCCOCCC 08b2fc5f7782946755848f7c7e2bbdf9 [0,1,0,0,0,0|0,0,2]=3 2740 B10R0.71 CC=CCOCCOCOC 189d25525f5574b2bfdf617aca463626 [0,1,0,0,0,0|1,0,2]=4 2741 B10R0.71 CC=CCOCOCCCC 4327f43764c0dd6de09e0f8936c04f80 [0,1,0,0,0,0|0,0,2]=3 2742 B10R0.71 CC=CCOCOCCOC 4fbd6ce8ee670a21cee95acc7d93ac37 [0,1,0,0,0,0|1,0,2]=4 2743 B10R0.71 CCC#CCCOCCC#N ba37aaaeef756173778db54164c5cb41 [0,1,0,0,0,0|1,0,2]=4 2744 B10R0.71 CCC#CCCOCCC=O a46289a66c37693b52210ff15eeb933c [0,1,0,0,0,0|1,0,2]=4 2745 B10R0.71 CCC#CCCOCCCC 164797f680cff0f6ad3f9b55f3918282 [0,1,0,0,0,0|0,0,1]=2 2746 B10R0.71 CCC#CCCOCCCF 1bb7c4ff83e94bc8db3d364456bfae19 [0,1,0,0,0,0|1,0,1]=3 2747 B10R0.71 CCC#CCCOCCCS ec6c1739241605ebbc7b49412cd83636 [0,1,0,0,0,0|1,0,1]=3 2748 B10R0.71 CCC#CCCOCCOC 620ba68cc13110278fab987db57f6e1b [0,1,0,0,0,0|1,0,1]=3 2749 B10R0.71 CCC#CCCOCCSC 800e7782565242856b459aa655441a2e [0,1,0,0,0,0|1,0,1]=3 2750 B10R0.71 CCC#CCCOCOCC ae42bace0f6ce38182126fd01b864ead [0,1,0,0,0,0|1,0,1]=3 2751 B10R0.71 CCC#CCNCCCCC cd7c1bd32db28e29748c40d12d1a30a9 [0,1,0,0,0,0|1,0,1]=3 2752 B10R0.71 CCC#CCNCCCCCl 746185364c515f5df5fbd0f68b19f62b [0,1,0,0,0,0|1,0,2]=4 2753 B10R0.71 CCC#CCNCCCCO cdf25b16ea94d1e8d2163370b23d3722 [0,1,0,0,0,0|1,0,2]=4 2754 B10R0.71 CCC#CCNCCCCS 9d1ca971b6016b9e3ca69e7e62e8b93e [0,1,0,0,0,0|1,0,2]=4 2755 B10R0.71 CCC#CCNCCCOC a2f4cde571b093546c9642d18811c24f [0,1,0,0,0,0|1,0,2]=4 2756 B10R0.71 CCC#CCNCCCSC 643156090ad6200f9a6cae9bdd806b12 [0,1,0,0,0,0|1,0,2]=4 2757 B10R0.71 CCC#CCNCCOCC e0ecf3c30f1d80f3970c124961f865e9 [0,1,0,0,0,0|1,0,2]=4 2758 B10R0.71 CCC#CCNCCSCC 1930d5eb9bd6f87aac18684ca0c202df [0,1,0,0,0,0|1,0,2]=4 2759 B10R0.71 CCC#CCOC/C=C/CC a3e83ddc64b28d540beb02f895aeb638 [0,1,0,0,0,0|0,0,3]=4 2760 B10R0.71 CCC#CCOC/C=C\CC 9681f6f83881f5a286647e2376dba5dd [0,1,0,0,0,0|0,0,3]=4 2761 B10R0.71 CCC#CCOCCCC#N abc16d8e6c236414348be593ca6380b8 [0,1,0,0,0,0|0,0,3]=4 2762 B10R0.71 CCC#CCOCCCC=O 4339f66af91a0ba4934fcb70cd256a8e [0,1,0,0,0,0|0,0,3]=4 2763 B10R0.71 CCC#CCOCCCCC 6cd027f55ffba37890269ac6de76cd41 [0,1,0,0,0,0|0,0,1]=2 2764 B10R0.71 CCC#CCOCCCCF c1eeccffe7ae981371cd818a6fc0ec1d [0,1,0,0,0,0|0,0,2]=3 2765 B10R0.71 CCC#CCOCCCCS 48e7fcf120d91084fdc69d7b9b9f9c45 [0,1,0,0,0,0|0,0,2]=3 2766 B10R0.71 CCC#CCOCCCOC 147bbb0cccb4f153272b1864adeccc3c [0,1,0,0,0,0|0,0,2]=3 2767 B10R0.71 CCC#CCOCCCSC dc3c5262f6780ea466db109732e36ea5 [0,1,0,0,0,0|0,0,2]=3 2768 B10R0.71 CCC#CCOCCOCC 7245f4d9df2a40fc04122fc6f4015df9 [0,1,0,0,0,0|0,0,2]=3 2769 B10R0.71 CCC#CCOCCSCC fe20d2be48fbf5f04dc29e805fa9ce11 [0,1,0,0,0,0|0,0,2]=3 2770 B10R0.71 CCC/C=C/CCCOCC 96c575cc0a2c58edec4b18e8b3051827 [0,1,0,0,0,0|1,0,1]=3 2771 B10R0.71 CCC/C=C/CCCOCF 98b0df28fed8e58ca594810e577c0b52 [0,1,0,0,0,0|2,0,1]=4 2772 B10R0.71 CCC/C=C/CNCCCC eb6f385e07ebf81c43b715a8e6898101 [0,1,0,0,0,0|1,0,1]=3 2773 B10R0.71 CCC/C=C/CNCCCCl 2a631264018e960a882a9c7d88e35448 [0,1,0,0,0,0|2,0,1]=4 2774 B10R0.71 CCC/C=C/CNCCCO 7b5b1f32f3ba47219ba367ef60e6a076 [0,1,0,0,0,0|2,0,1]=4 2775 B10R0.71 CCC/C=C/CNCCOC 1834877b3a02f74dd66b3368c830d003 [0,1,0,0,0,0|2,0,1]=4 2776 B10R0.71 CCC/C=C/CNCCSC cff9b66e330f122d2cb2e38a8625314a [0,1,0,0,0,0|2,0,1]=4 2777 B10R0.71 CCC/C=C/COCCC#N 451f57988821c7217da7265d5fd5c2ba [0,1,0,0,0,0|1,0,2]=4 2778 B10R0.71 CCC/C=C/COCCC=O 2985825f9f2f1ee44f6f28b6672d0787 [0,1,0,0,0,0|1,0,2]=4 2779 B10R0.71 CCC/C=C/COCCCC 5cb7fad967976b46414fd1e0981df754 [0,1,0,0,0,0|0,0,1]=2 2780 B10R0.71 CCC/C=C/COCCCF fd38a60d8b4b3155ce3d8bd9b5a36fe0 [0,1,0,0,0,0|1,0,1]=3 2781 B10R0.71 CCC/C=C/COCCCS a3127fea6f7de2c2c1cc75ec845273ca [0,1,0,0,0,0|1,0,1]=3 2782 B10R0.71 CCC/C=C/COCCOC 8b48098d1b42b8217b38413e44362209 [0,1,0,0,0,0|1,0,1]=3 2783 B10R0.71 CCC/C=C/COCCSC a935db1c7efc6d83d03e08a390a1d1ce [0,1,0,0,0,0|1,0,1]=3 2784 B10R0.71 CCC/C=C/COCOCC d280135abd2c33aad6c1f6ebc51a0a61 [0,1,0,0,0,0|1,0,1]=3 2785 B10R0.71 CCC/C=C\CCCOCC 1c8765980afe95de3eca026e03130832 [0,1,0,0,0,0|1,0,1]=3 2786 B10R0.71 CCC/C=C\CCCOCF 50493cf0adac96e55ae6ed8db7b67534 [0,1,0,0,0,0|2,0,1]=4 2787 B10R0.71 CCC/C=C\CCOCCC affe8f34b74549b94b8274cb3a319479 [0,1,0,0,0,0|1,0,1]=3 2788 B10R0.71 CCC/C=C\CCOCCF 83ffd82ab19f1fef104785fb89831535 [0,1,0,0,0,0|2,0,1]=4 2789 B10R0.71 CCC/C=C\CCOCCS 205082f7fa7fb9e497dba53835e648e3 [0,1,0,0,0,0|2,0,1]=4 2790 B10R0.71 CCC/C=C\CCOCOC 4c902c7028d4a6b2ae5784ead2ad9e7f [0,1,0,0,0,0|2,0,1]=4 2791 B10R0.71 CCC/C=C\CCOCSC 9f821fff258192e14e0436b337398bed [0,1,0,0,0,0|2,0,1]=4 2792 B10R0.71 CCC/C=C\CNCCCC bec0667c6be34c83c909fc9cd36559c3 [0,1,0,0,0,0|1,0,1]=3 2793 B10R0.71 CCC/C=C\CNCCCCl dc7e58b4cb44aa8c77c570a0a7e547fa [0,1,0,0,0,0|2,0,1]=4 2794 B10R0.71 CCC/C=C\CNCCCO 0c1e5eb36810f8e1091abebdee101c49 [0,1,0,0,0,0|2,0,1]=4 2795 B10R0.71 CCC/C=C\CNCCOC 9b69ed27e484cd80c0b145d2676e3a75 [0,1,0,0,0,0|2,0,1]=4 2796 B10R0.71 CCC/C=C\CNCCSC ab8c372b9a872750ad9eecb39daab022 [0,1,0,0,0,0|2,0,1]=4 2797 B10R0.71 CCC/C=C\COCCC#N e2a1a6009d20ad0514956ef9af4d5da3 [0,1,0,0,0,0|1,0,2]=4 2798 B10R0.71 CCC/C=C\COCCC=O 90027f964f08a36f67d97f789a91a0ae [0,1,0,0,0,0|1,0,2]=4 2799 B10R0.71 CCC/C=C\COCCCC 12552b98ae2ab17ee7aaf14497e6f771 [0,1,0,0,0,0|0,0,1]=2 2800 B10R0.71 CCC/C=C\COCCCF 8fd0bd7bf500cf190978432f91f83224 [0,1,0,0,0,0|1,0,1]=3 2801 B10R0.71 CCC/C=C\COCCCS 448e1ad6e452602c6124aecd9c2d58a7 [0,1,0,0,0,0|1,0,1]=3 2802 B10R0.71 CCC/C=C\COCCOC 07d68c8f2b746de5b5301333d471291c [0,1,0,0,0,0|1,0,1]=3 2803 B10R0.71 CCC/C=C\COCCSC 384ee6f65c09c5fab77e23a50b68f611 [0,1,0,0,0,0|1,0,1]=3 2804 B10R0.71 CCC/C=C\COCOCC c143e8b3ae3a1dcfbf1ffe3b381d116c [0,1,0,0,0,0|1,0,1]=3 2805 B10R0.71 CCCC#CCCOCCC 9d371ccc704f01f8e34c17fed94acae5 [0,1,0,0,0,0|1,0,1]=3 2806 B10R0.71 CCCC#CCCOCCF e66d8a5ba956a6f48738399f58cb6908 [0,1,0,0,0,0|2,0,1]=4 2807 B10R0.71 CCCC#CCCOCCS 18326bb0715af914695cc04074c2a4e0 [0,1,0,0,0,0|2,0,1]=4 2808 B10R0.71 CCCC#CCCOCOC 4bbb7a236aeec34d93f6bac13ce00bee [0,1,0,0,0,0|2,0,1]=4 2809 B10R0.71 CCCC#CCCOCSC 098d0d58ce07b442dde8a26caae32277 [0,1,0,0,0,0|2,0,1]=4 2810 B10R0.71 CCCC#CCOCCC#N 388fd52989c46cc6b5b42f06ebf589fb [0,1,0,0,0,0|1,0,2]=4 2811 B10R0.71 CCCC#CCOCCC=O dc2bb48970135f495cd72fbe1d02703b [0,1,0,0,0,0|1,0,2]=4 2812 B10R0.71 CCCC#CCOCCCC 3a9b7ab043d317d55165792d5b31d2df [0,1,0,0,0,0|0,0,1]=2 2813 B10R0.71 CCCC#CCOCCCF 3ea8cbf1f51b58818d88e7454b0f8cda [0,1,0,0,0,0|1,0,1]=3 2814 B10R0.71 CCCC#CCOCCCS 187a8079eb098d3e44bef72cad393146 [0,1,0,0,0,0|1,0,1]=3 2815 B10R0.71 CCCC#CCOCCOC e5bd0a3e69e10bd7ab89b850b089c246 [0,1,0,0,0,0|1,0,1]=3 2816 B10R0.71 CCCC#CCOCCSC 41fe8513352121b46e5a71cd08f2ff23 [0,1,0,0,0,0|1,0,1]=3 2817 B10R0.71 CCCC#CCOCOCC 0a1b3ca18af70073ecd18c72b9666fb7 [0,1,0,0,0,0|1,0,1]=3 2818 B10R0.71 CCCC/C=C/CNCCBr fb39ae69c7a0950cb5e824adddb5a86c [0,1,0,0,0,0|2,0,1]=4 2819 B10R0.71 CCCC/C=C/CNCCC b5846262769f4576898e24ec596816c8 [0,1,0,0,0,0|1,0,1]=3 2820 B10R0.71 CCCC/C=C/CNCCF 32b039960401db69c1043161fe9efb41 [0,1,0,0,0,0|2,0,1]=4 2821 B10R0.71 CCCC/C=C/CNCCI 168a2940fc4b039759ecc7c797841351 [0,1,0,0,0,0|2,0,1]=4 2822 B10R0.71 CCCC/C=C/CNCCO 0c9c5f17e82cdfeba64c276b8f8e86b1 [0,1,0,0,0,0|2,0,1]=4 2823 B10R0.71 CCCC/C=C/CNCCS 5cec3dd0ac0f0a10d3baa688b7a58f71 [0,1,0,0,0,0|2,0,1]=4 2824 B10R0.71 CCCC/C=C/COCCC 07c08b56120c97240fcfc821b0cfaf7e [0,1,0,0,0,0|1,0,1]=3 2825 B10R0.71 CCCC/C=C/COCCF b3ba68c521676a423b6cca99f7dde52e [0,1,0,0,0,0|2,0,1]=4 2826 B10R0.71 CCCC/C=C/COCCS 7675b998c00101775745681e87c8b9a1 [0,1,0,0,0,0|2,0,1]=4 2827 B10R0.71 CCCC/C=C/COCOC 5abb34db6ff07a93b4633b12130e634f [0,1,0,0,0,0|2,0,1]=4 2828 B10R0.71 CCCC/C=C/COCSC 213f51c646a3a9635a4d9796c3110bc4 [0,1,0,0,0,0|2,0,1]=4 2829 B10R0.71 CCCC/C=C\CCOCC c0b86be5a318325f35923a807a0da0e5 [0,1,0,0,0,0|1,0,1]=3 2830 B10R0.71 CCCC/C=C\CCOCF 2cb08ba8cffbd4eaa416c24645e14eb9 [0,1,0,0,0,0|2,0,1]=4 2831 B10R0.71 CCCC/C=C\CNCCBr e89b942e53d3341d8fa1fcb034edbe69 [0,1,0,0,0,0|2,0,1]=4 2832 B10R0.71 CCCC/C=C\CNCCC 1ebafcf76c30e339500b071d8b77b007 [0,1,0,0,0,0|1,0,1]=3 2833 B10R0.71 CCCC/C=C\CNCCF 425def2a3c8afcb57ef461b4da9e2659 [0,1,0,0,0,0|2,0,1]=4 2834 B10R0.71 CCCC/C=C\CNCCI f8292ac3748f51cf45b025aa868ae19a [0,1,0,0,0,0|2,0,1]=4 2835 B10R0.71 CCCC/C=C\CNCCO 3f60531e2eaa312eafb4bf5b0403b122 [0,1,0,0,0,0|2,0,1]=4 2836 B10R0.71 CCCC/C=C\CNCCS cd2bc76ea9235ceccff05860364954f8 [0,1,0,0,0,0|2,0,1]=4 2837 B10R0.71 CCCC/C=C\COCCC cacd342e00bdd06408172e2c8226f9fe [0,1,0,0,0,0|1,0,1]=3 2838 B10R0.71 CCCC/C=C\COCCF 902bc78a8fc2037f243a196aa9891798 [0,1,0,0,0,0|2,0,1]=4 2839 B10R0.71 CCCC/C=C\COCCS 11a9e56a6786b04ccb56a4976b6eabba [0,1,0,0,0,0|2,0,1]=4 2840 B10R0.71 CCCC/C=C\COCOC ba5d89fa33380be890c5974c58b24dc3 [0,1,0,0,0,0|2,0,1]=4 2841 B10R0.71 CCCC=C=CCCOCC ecd2330b3e2fc365c563b385894a4c95 [0,1,0,0,0,0|1,0,2]=4 2842 B10R0.71 CCCCC#CCCOCC fd6ea4ab6886d8b57ffce91597315cab [0,1,0,0,0,0|1,0,1]=3 2843 B10R0.71 CCCCC#CCCOCF 21f1b1d78ae12bb9c05b6dbe3cabbb01 [0,1,0,0,0,0|2,0,1]=4 2844 B10R0.71 CCCCC#CCOCCC b3f55348ac0050523e523ba559b53553 [0,1,0,0,0,0|1,0,1]=3 2845 B10R0.71 CCCCC#CCOCCF 3c69cc6d3a927412e34325fdc5fcb71e [0,1,0,0,0,0|2,0,1]=4 2846 B10R0.71 CCCCC#CCOCCS 9141c8043e951beaef315c04f8a73386 [0,1,0,0,0,0|2,0,1]=4 2847 B10R0.71 CCCCC#CCOCOC 9327267dbcfb14a07214394b10d5da9d [0,1,0,0,0,0|2,0,1]=4 2848 B10R0.71 CCCCC#CCOCSC d6440cac4f4f45bfc2af27921d5ee74e [0,1,0,0,0,0|2,0,1]=4 2849 B10R0.71 CCCCC/C=C/COCC d869a9967b36862cc7ff5868403bb25d [0,1,0,0,0,0|1,0,1]=3 2850 B10R0.71 CCCCC/C=C/COCF 173aafd765549e06cbff3bd6ae6fc78e [0,1,0,0,0,0|2,0,1]=4 2851 B10R0.71 CCCCCC#CCOCC caa22122c2b20cb5fe4be222e5ff2f55 [0,1,0,0,0,0|1,0,1]=3 2852 B10R0.71 CCCCCC#CCOCF 23d0975914853ea2f200b6c2d60e4d65 [0,1,0,0,0,0|2,0,1]=4 2853 B10R0.71 CCCCCCCCNC#N 7445c948f6631b9d7692f2c79595c0b8 [0,1,0,0,0,0|2,0,1]=4 2854 B10R0.71 CCCCCCCCNC=O bc03f137b33aec3f705c81e5d5bac7bb [0,1,0,0,0,0|2,0,1]=4 2855 B10R0.71 CCCCCCCCNCC f45798325e076f51813ed9475990e935 [0,1,0,0,0,0|1,0,0]=2 2856 B10R0.71 CCCCCCCCNCF eba3784a27d0163aaddd6d4d0640d8cb [0,1,0,0,0,0|2,0,0]=3 2857 B10R0.71 CCCCCCCCNCO 62a2dae03ae16e5c5d74011b3e38bc6b [0,1,0,0,0,0|2,0,0]=3 2858 B10R0.71 CCCCCCCCOCC fdf9c57b26dc59eebf4df9f9dff7ab11 [0,1,0,0,0,0|1,0,0]=2 2859 B10R0.71 CCCCCCCCOCF 7d6ea1593b941dac758ff903c420f174 [0,1,0,0,0,0|2,0,0]=3 2860 B10R0.71 CCCCCCCNCC#N 7879b1d72cdd88fea0c9b9478bea255f [0,1,0,0,0,0|2,0,1]=4 2861 B10R0.71 CCCCCCCNCC=O bfb56bc7341eb925b4f8d6df80cbc0e0 [0,1,0,0,0,0|2,0,1]=4 2862 B10R0.71 CCCCCCCNCCBr 153a3c6e2c01a151374cf28481aa6eb9 [0,1,0,0,0,0|2,0,0]=3 2863 B10R0.71 CCCCCCCNCCC 8f428c22239379f79b42eeff6f848027 [0,1,0,0,0,0|1,0,0]=2 2864 B10R0.71 CCCCCCCNCCF 0cbe21085ad34c7f5a2177d0ffae2a78 [0,1,0,0,0,0|2,0,0]=3 2865 B10R0.71 CCCCCCCNCCI b568dedc350f2457598188b0074522f8 [0,1,0,0,0,0|2,0,0]=3 2866 B10R0.71 CCCCCCCNCCO b00594b2eda448f3d37260fcc9ae8d77 [0,1,0,0,0,0|2,0,0]=3 2867 B10R0.71 CCCCCCCNCCS 83786bb22ec9056731e6cce6fe301f14 [0,1,0,0,0,0|2,0,0]=3 2868 B10R0.71 CCCCCCCNCOC f2d51f45d743c2c6bb60d201a5c48204 [0,1,0,0,0,0|2,0,0]=3 2869 B10R0.71 CCCCCCCNCSC 2214e2f762d7beb04324a118c724f12c [0,1,0,0,0,0|2,0,0]=3 2870 B10R0.71 CCCCCCCOCC#N b53295304faef45cab9990e9f30e24dc [0,1,0,0,0,0|2,0,1]=4 2871 B10R0.71 CCCCCCCOCC=O 85a03949435365a6a1fdeda7013cb46a [0,1,0,0,0,0|2,0,1]=4 2872 B10R0.71 CCCCCCCOCCC 2dbba9d2fa88b26583f5d2ac3d741b24 [0,1,0,0,0,0|1,0,0]=2 2873 B10R0.71 CCCCCCCOCCF 2e8dd6a0af3d2b30f6f325a750e2f8e8 [0,1,0,0,0,0|2,0,0]=3 2874 B10R0.71 CCCCCCCOCCS d905d762a9b7d322c87213c7c56ba37f [0,1,0,0,0,0|2,0,0]=3 2875 B10R0.71 CCCCCCCOCOC 5ce19ed9c6e4108e173e3dc063eaeb4e [0,1,0,0,0,0|2,0,0]=3 2876 B10R0.71 CCCCCCCOCSC 08ad92cc4f51e014a7301f82e1b9552e [0,1,0,0,0,0|2,0,0]=3 2877 B10R0.71 CCCCCCNCCC#N 693da38782169220ae9c8e0fb667537f [0,1,0,0,0,0|2,0,1]=4 2878 B10R0.71 CCCCCCNCCC=O 7011a6760ad05bee90b4b5fe1ddade10 [0,1,0,0,0,0|2,0,1]=4 2879 B10R0.71 CCCCCCNCCCC 20be2e0525a624157bc2fad46d2186d5 [0,1,0,0,0,0|1,0,0]=2 2880 B10R0.71 CCCCCCNCCCCl 798c3b78fda1b44bfc2a5866fd849b4a [0,1,0,0,0,0|2,0,0]=3 2881 B10R0.71 CCCCCCNCCCF ec8ad93e9495e1afdc7ceb0355e5c789 [0,1,0,0,0,0|2,0,0]=3 2882 B10R0.71 CCCCCCNCCCO 5bc4d9addd0075b9ea454b7e30b2b20c [0,1,0,0,0,0|2,0,0]=3 2883 B10R0.71 CCCCCCNCCCS 8c1aea017c53a004a3a57f13df4016f5 [0,1,0,0,0,0|2,0,0]=3 2884 B10R0.71 CCCCCCNCCOC d8a9b2ae4f4d1a2408c43a2120d332fc [0,1,0,0,0,0|2,0,0]=3 2885 B10R0.71 CCCCCCNCCON a505f41316dcdbfcd75441f02b1c8680 [0,1,0,0,0,0|3,0,0]=4 2886 B10R0.71 CCCCCCNCCSC 03f05656133e75b7ef05cf7e7a9686cd [0,1,0,0,0,0|2,0,0]=3 2887 B10R0.71 CCCCCCNCOCC 0b2dadfdd556d2bf502aa4112d950603 [0,1,0,0,0,0|2,0,0]=3 2888 B10R0.71 CCCCCCOC/C=C/Cl 9b845a9faee5eb30dccd92e1d125045d [0,1,0,0,0,0|1,0,2]=4 2889 B10R0.71 CCCCCCOC/C=C\Cl 6c622b8755434309310cd777f350ff13 [0,1,0,0,0,0|1,0,2]=4 2890 B10R0.71 CCCCCCOCC#CI e12ccde3e2d8dfe700edb39e318a622b [0,1,0,0,0,0|1,0,2]=4 2891 B10R0.71 CCCCCCOCC=CCl f46dbeda2bf4ea0706f085cbc02d1831 [0,1,0,0,0,0|1,0,2]=4 2892 B10R0.71 CCCCCCOCCC#N df918a6bf56055cc68eaa0febc6250f6 [0,1,0,0,0,0|1,0,1]=3 2893 B10R0.71 CCCCCCOCCC=O 52e11fbfda6e705332503dbf6ca57c21 [0,1,0,0,0,0|1,0,1]=3 2894 B10R0.71 CCCCCCOCCCC 938d0ec0b6adc0f1b39dbfc036e22e02 [0,1,0,0,0,0|0,0,0]=1 2895 B10R0.71 CCCCCCOCCCF 96181b976d7354be2077b197619bb942 [0,1,0,0,0,0|1,0,0]=2 2896 B10R0.71 CCCCCCOCCCS 5fa58b5367e16182182d2f61e5d955a0 [0,1,0,0,0,0|1,0,0]=2 2897 B10R0.71 CCCCCCOCCOC 498c1d974b36c5798a5345f99389e8d2 [0,1,0,0,0,0|1,0,0]=2 2898 B10R0.71 CCCCCCOCCSC a2fa5d10e923435988e5eb6eaf926cde [0,1,0,0,0,0|1,0,0]=2 2899 B10R0.71 CCCCCCOCOCC de7091207636fc19f355a981992b8eb3 [0,1,0,0,0,0|1,0,0]=2 2900 B10R0.71 CCCCCCOCSC#N 41f4faa6745bed6da8896e9b829ad87a [0,1,0,0,0,0|2,0,1]=4 2901 B10R0.71 CCCCCNCC#CCO 23116c6c38a6f4605bbabd713d286c57 [0,1,0,0,0,0|1,0,2]=4 2902 B10R0.71 CCCCCNCCCC#N 9aca619b0d30b921b988c4bbfa3127bd [0,1,0,0,0,0|1,0,1]=3 2903 B10R0.71 CCCCCNCCCC=O 6680464fa50f8e11fa1a82d02cb758f7 [0,1,0,0,0,0|1,0,1]=3 2904 B10R0.71 CCCCCNCCCCC fc6b1fbee2ae20e668586a93426dce7b [0,1,0,0,0,0|1,0,0]=2 2905 B10R0.71 CCCCCNCCCCCl c701e49df4eef1470e682606de3ca8f1 [0,1,0,0,0,0|1,0,0]=2 2906 B10R0.71 CCCCCNCCCCF d279fc520ee48aeaa07407924d2d74d7 [0,1,0,0,0,0|1,0,0]=2 2907 B10R0.71 CCCCCNCCCCO 379ab0235e165758d05e13f64b0667e2 [0,1,0,0,0,0|1,0,0]=2 2908 B10R0.71 CCCCCNCCCCS d84e183bdfafbaad537c0d200ed48999 [0,1,0,0,0,0|1,0,0]=2 2909 B10R0.71 CCCCCNCCCOC 59c794b1fdced6fe10e73b7eec0b61f4 [0,1,0,0,0,0|1,0,0]=2 2910 B10R0.71 CCCCCNCCCSC 1a943155b12e5db9b108db3f8ef5622d [0,1,0,0,0,0|1,0,0]=2 2911 B10R0.71 CCCCCNCCOCC b302026487b9f6fc9da1041bec3b940f [0,1,0,0,0,0|1,0,0]=2 2912 B10R0.71 CCCCCNCCSCC d4e4b88649a7d41376228d32433581ea [0,1,0,0,0,0|1,0,0]=2 2913 B10R0.71 CCCCCOC/C=C/C=O dd701f6f2acb2f0b3775b86bb7a39725 [0,1,0,0,0,0|0,0,3]=4 2914 B10R0.71 CCCCCOCC=CC#N 74b69457886f8409891578b422921ba2 [0,1,0,0,0,0|0,0,3]=4 2915 B10R0.71 CCCCCOCCCC#N f9fbb269f112ce98f5b6b142866aa01e [0,1,0,0,0,0|0,0,1]=2 2916 B10R0.71 CCCCCOCCCC=O 37cad7ef5e51a341a4958cbb40245746 [0,1,0,0,0,0|0,0,1]=2 2917 B10R0.71 CCCCCOCCCCC 6be65cbda65609b70fc256077c9081b0 [0,1,0,0,0,0|0,0,0]=1 2918 B10R0.71 CCCCCOCCCCF 1e52934387d4e6196e1ae9a21a139f63 [0,1,0,0,0,0|0,0,0]=1 2919 B10R0.71 CCCCCOCCCCS 0279225295d1c82256f6e5c11abe7674 [0,1,0,0,0,0|0,0,0]=1 2920 B10R0.71 CCCCCOCCCOC 35a4ac119007b84148d4ce463e8bfcd6 [0,1,0,0,0,0|0,0,0]=1 2921 B10R0.71 CCCCCOCCCSC 83f486b530f56d8364c21230e353c7ad [0,1,0,0,0,0|0,0,0]=1 2922 B10R0.71 CCCCCOCCNC=O 11bc3670960456d027b99f450c9cd405 [0,1,0,0,0,0|1,0,1]=3 2923 B10R0.71 CCCCCOCCOC=O f65c1673d6dd413a755f7700c7d8cf80 [0,1,0,0,0,0|1,0,1]=3 2924 B10R0.71 CCCCCOCCOCC c8f98ba5fde1bc4c3459e40764f14618 [0,1,0,0,0,0|0,0,0]=1 2925 B10R0.71 CCCCCOCCOCF 4eb1d0a205c12d08a71774261d9303c6 [0,1,0,0,0,0|1,0,0]=2 2926 B10R0.71 CCCCCOCCSCC 8e2ce49f0c9b939f61ef427ccb831b7d [0,1,0,0,0,0|0,0,0]=1 2927 B10R0.71 CCCCNCC#CCOC 89eca2f6914d26fc7c7543dc1d4222e6 [0,1,0,0,0,0|1,0,2]=4 2928 B10R0.71 CCCCNCCCCC#N 6d679df2f23a414633e17e2d079b94cb [0,1,0,0,0,0|1,0,1]=3 2929 B10R0.71 CCCCNCCCCC=O dbb1efb0684adf2cb0a6d780179e9b96 [0,1,0,0,0,0|1,0,1]=3 2930 B10R0.71 CCCCNCCCCCCl 17907e10bc8ae216fc19d4f50e0355d8 [0,1,0,0,0,0|1,0,0]=2 2931 B10R0.71 CCCCNCCCCCF ecb524fdab50cb363fd9220f41e81b56 [0,1,0,0,0,0|1,0,0]=2 2932 B10R0.71 CCCCNCCCCCO a568cb73440f8b5eb1a832482c6c8aa1 [0,1,0,0,0,0|1,0,0]=2 2933 B10R0.71 CCCCNCCCCOC 8a51345137a99f78ee92600b49d2fddb [0,1,0,0,0,0|1,0,0]=2 2934 B10R0.71 CCCCNCCCCON e04267b4cc174037c5dfa38636efb861 [0,1,0,0,0,0|2,0,0]=3 2935 B10R0.71 CCCCNCCCCSC 834064ffffe2ca860260d790d8b507c6 [0,1,0,0,0,0|1,0,0]=2 2936 B10R0.71 CCCCNCCCOCC 4567bf18693d1425b182776ab5d89ce7 [0,1,0,0,0,0|1,0,0]=2 2937 B10R0.71 CCCCNCCCSCC 63db814ee76aaab4513ac3ae6b0470e2 [0,1,0,0,0,0|1,0,0]=2 2938 B10R0.71 CCCCNCCOCC#N 8576e40cd18991fe536624e3ed85de3d [0,1,0,0,0,0|2,0,1]=4 2939 B10R0.71 CCCCNCCOCC=O 787911224950c5a6a26ccf3d666907ba [0,1,0,0,0,0|2,0,1]=4 2940 B10R0.71 CCCCNCCOCCC 3fcdc0cfe48703f2a83af0169c62729d [0,1,0,0,0,0|1,0,0]=2 2941 B10R0.71 CCCCNCCOCCO 80115239ef9f78352b2ee441d10a1b65 [0,1,0,0,0,0|2,0,0]=3 2942 B10R0.71 CCCCNCCOCCS 57cba1cb49bedd31f203422953e08db7 [0,1,0,0,0,0|2,0,0]=3 2943 B10R0.71 CCCCNCCOCOC bd8b266c1908f8ed7d554480840547fa [0,1,0,0,0,0|2,0,0]=3 2944 B10R0.71 CCCCNCCSCCO 0347ac7aaf85116de46287a5ecc74d9a [0,1,0,0,0,0|2,0,0]=3 2945 B10R0.71 CCCCNCOCCCC 545e6748e00cac4bfa4dcccf944d1023 [0,1,0,0,0,0|0,0,0]=1 2946 B10R0.71 CCCCNCOCCOC 1dd2d7a790540a31a6570455a64e2044 [0,1,0,0,0,0|1,0,0]=2 2947 B10R0.71 CCCCOCC#CCOC f1c45d9ebae78802877856471e52208d [0,1,0,0,0,0|0,0,2]=3 2948 B10R0.71 CCCCOCCCCC#N 02ae7f84fca96cad6d15d62b1cbefcac [0,1,0,0,0,0|0,0,1]=2 2949 B10R0.71 CCCCOCCCCC=O 87caad785ee1de0ab8952b818b81a155 [0,1,0,0,0,0|0,0,1]=2 2950 B10R0.71 CCCCOCCCCCF aead05b2f46a954a77fb9b0d46a831a1 [0,1,0,0,0,0|0,0,0]=1 2951 B10R0.71 CCCCOCCCCOC 1c665f9a80dbcc19a2506b93b11eeab3 [0,1,0,0,0,0|0,0,0]=1 2952 B10R0.71 CCCCOCCCCSC 7e846181e45c3a440b01cd8ef8df47c8 [0,1,0,0,0,0|0,0,0]=1 2953 B10R0.71 CCCCOCCCNC=O 1df83f1971a73005dd333cd8848e6b5c [0,1,0,0,0,0|1,0,1]=3 2954 B10R0.71 CCCCOCCCNCC 010734c4fdc877ac094389f744441162 [0,1,0,0,0,0|0,0,0]=1 2955 B10R0.71 CCCCOCCCNCF fbaf21f03ebc1c1e24106466ca45cf49 [0,1,0,0,0,0|1,0,0]=2 2956 B10R0.71 CCCCOCCCNCO 02310b457d19aea630613cfc6ae43a82 [0,1,0,0,0,0|1,0,0]=2 2957 B10R0.71 CCCCOCCCOCC 1158a02552cfd2177bf76faa90c6df77 [0,1,0,0,0,0|0,0,0]=1 2958 B10R0.71 CCCCOCCCOCF 5e73e928453faa57e5da7ba81a05056a [0,1,0,0,0,0|1,0,0]=2 2959 B10R0.71 CCCCOCCCSCC e04cab22dc6501876d38fc7fb5563829 [0,1,0,0,0,0|0,0,0]=1 2960 B10R0.71 CCCCOCCNCC#N c482d5d665152417837621660ebe06e2 [0,1,0,0,0,0|1,0,1]=3 2961 B10R0.71 CCCCOCCNCC=O fd05767acbc686cedfc374265ff72d9e [0,1,0,0,0,0|1,0,1]=3 2962 B10R0.71 CCCCOCCNCCBr dc73ca26cb11908f315e59292c2a4d63 [0,1,0,0,0,0|1,0,0]=2 2963 B10R0.71 CCCCOCCNCCC c10c126aa77fae6dee2817c49229712d [0,1,0,0,0,0|0,0,0]=1 2964 B10R0.71 CCCCOCCNCCF d8e8c882b31899018a61739e3f52cc6c [0,1,0,0,0,0|1,0,0]=2 2965 B10R0.71 CCCCOCCNCCI 5a8cc801334ce93b97d6f903789fbdb6 [0,1,0,0,0,0|1,0,0]=2 2966 B10R0.71 CCCCOCCNCCO cd255df0d112d9e8c8ef0cac0591fd4e [0,1,0,0,0,0|1,0,0]=2 2967 B10R0.71 CCCCOCCNCCS 3510158d43a96868d7c62c4bece1f6ae [0,1,0,0,0,0|1,0,0]=2 2968 B10R0.71 CCCCOCCNCOC 3d46e426fe208da12e5270741d2f7758 [0,1,0,0,0,0|1,0,0]=2 2969 B10R0.71 CCCCOCCNCSC 23dca61e9f32c22306852e3b15bec4fd [0,1,0,0,0,0|1,0,0]=2 2970 B10R0.71 CCCCOCCOCC#N 3c26e67400ad70462ef3addce465eef9 [0,1,0,0,0,0|1,0,1]=3 2971 B10R0.71 CCCCOCCOCC=O a6901254910c713b78cc0e091da1f627 [0,1,0,0,0,0|1,0,1]=3 2972 B10R0.71 CCCCOCCOCCC 62aa1933f9f6285673b3ff78d496fc74 [0,1,0,0,0,0|0,0,0]=1 2973 B10R0.71 CCCCOCCOCCF 0e3907704345f6840513dbb7fe33a55b [0,1,0,0,0,0|1,0,0]=2 2974 B10R0.71 CCCCOCCOCCS e527e16f2881ce18e3da73bad0736851 [0,1,0,0,0,0|1,0,0]=2 2975 B10R0.71 CCCCOCCOCOC ac988a5aed77ca629caaf4c7819a46c6 [0,1,0,0,0,0|1,0,0]=2 2976 B10R0.71 CCCCOCCOCSC a25829e4f34115af6afb1e4b0b83c031 [0,1,0,0,0,0|1,0,0]=2 2977 B10R0.71 CCCCOCCSCCC dd7dd42c58efb56d123dfdb4ec52bdfa [0,1,0,0,0,0|0,0,0]=1 2978 B10R0.71 CCCCOCNCCC#N 1b6aec093df0a38878af56a03f195a5b [0,1,0,0,0,0|1,0,1]=3 2979 B10R0.71 CCCCOCNCCCCl fcf9b7c917900b18042cb26f0b2d4362 [0,1,0,0,0,0|1,0,0]=2 2980 B10R0.71 CCCCOCNCCCO d649bca14d69eef2b8a68b32f4a61d75 [0,1,0,0,0,0|1,0,0]=2 2981 B10R0.71 CCCCOCNCCOC 9661ef8359764d8623d11afe5498e300 [0,1,0,0,0,0|1,0,0]=2 2982 B10R0.71 CCCCOCNCCON 06a75c8b268dbb9b507adadc71431401 [0,1,0,0,0,0|2,0,0]=3 2983 B10R0.71 CCCCOCNCCSC 26fbd8ec66be974fcbd5a0526cb4b0d9 [0,1,0,0,0,0|1,0,0]=2 2984 B10R0.71 CCCCOCOC/C=C/Cl db4e9cb455885bfe1f151feca70b11bf [0,1,0,0,0,0|1,0,2]=4 2985 B10R0.71 CCCCOCOCC#CI b7daa9869e0d8bf98952ed82b51f5195 [0,1,0,0,0,0|1,0,2]=4 2986 B10R0.71 CCCCOCOCC=CCl 1aaf26d837de4f64738787d0d9128252 [0,1,0,0,0,0|1,0,2]=4 2987 B10R0.71 CCCCOCOCCC#N 2eebb63598d5305146051f43b0eab60f [0,1,0,0,0,0|1,0,1]=3 2988 B10R0.71 CCCCOCOCCC=O 4113d4be8e23f116c4dc8d3c5b040f92 [0,1,0,0,0,0|1,0,1]=3 2989 B10R0.71 CCCCOCOCCCC cab95224f5094c3b71980434e538b501 [0,1,0,0,0,0|0,0,0]=1 2990 B10R0.71 CCCCOCOCCCF b24952fd54551c34fc7a3582b4f4b10f [0,1,0,0,0,0|1,0,0]=2 2991 B10R0.71 CCCCOCOCCCS 93f4c58804d15cdcdbc12a98bf6cbca4 [0,1,0,0,0,0|1,0,0]=2 2992 B10R0.71 CCCCOCOCCOC e1e6d52bf675f052f70a55e34a94bebd [0,1,0,0,0,0|1,0,0]=2 2993 B10R0.71 CCCCOCOCCSC d930608e2de8d8b600f7619079ad5307 [0,1,0,0,0,0|1,0,0]=2 2994 B10R0.71 CCCCSCCOCC#N 2cbee90550626018671cdec7bd9c8ddf [0,1,0,0,0,0|1,1,1]=4 2995 B10R0.71 CCCCSCCOCC=O 8f29c60b682aa461112b864e43be5ea6 [0,1,0,0,0,0|1,1,1]=4 2996 B10R0.71 CCCCSCCOCCC 042c613074bc2dcac09e3dbf40c6fdea [0,1,0,0,0,0|0,1,0]=2 2997 B10R0.71 CCCCSCCOCCF 69525a32d302cf42d8a360988f118d89 [0,1,0,0,0,0|1,1,0]=3 2998 B10R0.71 CCCCSCCOCCS 4a8371f19fa6c732bc7415f178bae3dd [0,1,0,0,0,0|1,1,0]=3 2999 B10R0.71 CCCCSCCOCOC 25abdf23fb9b1c0e8b52c413fa068913 [0,1,0,0,0,0|1,1,0]=3 3000 B10R0.71 CCCCSCCOCSC 67fb4de2d405c1ef1e2ca06ab44950a3 [0,1,0,0,0,0|1,1,0]=3 3001 B10R0.71 CCCNCCCCCC#N e5c4a75f299bf3b158afe44bcc08b22a [0,1,0,0,0,0|2,0,1]=4 3002 B10R0.71 CCCNCCCCCC=O ea13b9738fa632ac5ce864b8fef8c315 [0,1,0,0,0,0|2,0,1]=4 3003 B10R0.71 CCCNCCCCCCCl d9d02325ceabb1236feca69f9d260e06 [0,1,0,0,0,0|2,0,0]=3 3004 B10R0.71 CCCNCCCCCCF 47bd30d6c6ebb4154ccfd3d84e3dd907 [0,1,0,0,0,0|2,0,0]=3 3005 B10R0.71 CCCNCCCCCCO 957198384cd9904d687345e1f1a839fe [0,1,0,0,0,0|2,0,0]=3 3006 B10R0.71 CCCNCCCCCOC fbe0af6a29e7bb390546dc0f24f036df [0,1,0,0,0,0|2,0,0]=3 3007 B10R0.71 CCCNCCCCSCC 4fbccce5329f8a22f7d198bd04134133 [0,1,0,0,0,0|2,0,0]=3 3008 B10R0.71 CCCNCCCOCCC 7fd6aca7b9f3bc59415db067623e55ef [0,1,0,0,0,0|2,0,0]=3 3009 B10R0.71 CCCNCCCOCCO 85649ddd4b7bb8ea6cc1e32801747e8c [0,1,0,0,0,0|3,0,0]=4 3010 B10R0.71 CCCNCCOCCCO ce755d26bb38d7d0db74dd93ed4f675f [0,1,0,0,0,0|1,0,0]=2 3011 B10R0.71 CCCNCCOCCOC 2cbde89089689bf854a3b933cabe6ba2 [0,1,0,0,0,0|1,0,0]=2 3012 B10R0.71 CCCNCCOCCON 8342647f87e1d1f302bf667bd75e4111 [0,1,0,0,0,0|2,0,0]=3 3013 B10R0.71 CCCNCCSSCCO cf2351cc56cc71a3067b12d59ef535ac [0,1,0,0,0,0|2,1,0]=4 3014 B10R0.71 CCCOCCCCCC#N 80cf8a7ea89988cb83fb563eca704e39 [0,1,0,0,0,0|2,0,1]=4 3015 B10R0.71 CCCOCCCCCC=O f9a394720b00a6dd92dae6c05c91a7d4 [0,1,0,0,0,0|2,0,1]=4 3016 B10R0.71 CCCOCCCCCCF 72ffe3589386c933c936da7caa3f7256 [0,1,0,0,0,0|2,0,0]=3 3017 B10R0.71 CCCOCCCCCCS 9237106df74f11c16d22d77a5b29e426 [0,1,0,0,0,0|2,0,0]=3 3018 B10R0.71 CCCOCCCCCOC f0f1181da96b58975534715e6947023c [0,1,0,0,0,0|2,0,0]=3 3019 B10R0.71 CCCOCCCNCCBr bee87ee77ec3102d7ce6099c3a5400ee [0,1,0,0,0,0|3,0,0]=4 3020 B10R0.71 CCCOCCCNCCF 4280460a70e5ec0da532a0aef238506d [0,1,0,0,0,0|3,0,0]=4 3021 B10R0.71 CCCOCCCNCCI 5f240e521ffd9c5eda977c5ce87452ef [0,1,0,0,0,0|3,0,0]=4 3022 B10R0.71 CCCOCCCNCCO 0a8b4b1c66e483def5426f3f2c79fc1b [0,1,0,0,0,0|3,0,0]=4 3023 B10R0.71 CCCOCCCNCCS 7b5a1495544a634cb4a20606ba496232 [0,1,0,0,0,0|3,0,0]=4 3024 B10R0.71 CCCOCCCNCOC 1bea1577b514f54011229b8419bcfdb7 [0,1,0,0,0,0|3,0,0]=4 3025 B10R0.71 CCCOCCCNCSC 58701c31c8f1a07c8a8df9348f81a8e0 [0,1,0,0,0,0|3,0,0]=4 3026 B10R0.71 CCCOCCCOCCC f962260523633ca9eb2ae77ffb4aa792 [0,1,0,0,0,0|2,0,0]=3 3027 B10R0.71 CCCOCCCOCCF 3698cb40c4434046db45e1bb814e1622 [0,1,0,0,0,0|3,0,0]=4 3028 B10R0.71 CCCOCCCOCCS c412735660e2d5b16f022f520708dc55 [0,1,0,0,0,0|3,0,0]=4 3029 B10R0.71 CCCOCCCOCOC bed9246f72dff6f1dadff9d9a6e7bd82 [0,1,0,0,0,0|3,0,0]=4 3030 B10R0.71 CCCOCCNCCC#N a8a0f3a48334e9cd9a6f4346f7aa2aa4 [0,1,0,0,0,0|2,0,1]=4 3031 B10R0.71 CCCOCCNCCC=O 6df960592cc3aedec5ccbd3598ac6a82 [0,1,0,0,0,0|2,0,1]=4 3032 B10R0.71 CCCOCCNCCCCl 784632a9b2c9e6050b13054a279b5563 [0,1,0,0,0,0|2,0,0]=3 3033 B10R0.71 CCCOCCNCCCF 026f328a82fe337d42861d2ec6a5655f [0,1,0,0,0,0|2,0,0]=3 3034 B10R0.71 CCCOCCNCCCO 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f99eaf72f24d8c38f0025bb59317ae75 [0,1,0,0,0,0|1,0,0]=2 3047 B10R0.71 CCCOCCOCCCS 29d48da73019a044d9e048470970d12c [0,1,0,0,0,0|1,0,0]=2 3048 B10R0.71 CCCOCCOCCOC 1b06cdeb8b0ec10f0136b2c501e1354c [0,1,0,0,0,0|1,0,0]=2 3049 B10R0.71 CCCOCCOCCSC dfd11617336747a54284534e611b2815 [0,1,0,0,0,0|1,0,0]=2 3050 B10R0.71 CCCOCCOCOCC 100dd6040f41719744cddfe9d7650b59 [0,1,0,0,0,0|1,0,0]=2 3051 B10R0.71 CCCOCCOCSC#N d7b35291c359b3723a1edbc857006ded [0,1,0,0,0,0|2,0,1]=4 3052 B10R0.71 CCCSCCCCNCC 19a2007b09e5e2f3826f2c9805957fbb [0,1,0,0,0,0|2,0,0]=3 3053 B10R0.71 CCCSCCCCNCF 8cc325ea244af6b4ced7218087c95acc [0,1,0,0,0,0|3,0,0]=4 3054 B10R0.71 CCCSCCCCNCO d64656b2ed2aecb983e9bf8bbe18d3d1 [0,1,0,0,0,0|3,0,0]=4 3055 B10R0.71 CCCSCCOC/C=C/Cl 731b9ca954d4ecff57b88c90bbc83d8e [0,1,0,0,0,0|1,0,2]=4 3056 B10R0.71 CCCSCCOC/C=C\Cl 98971d591fe65272b56a8f1c654c06bb [0,1,0,0,0,0|1,0,2]=4 3057 B10R0.71 CCCSCCOCCC#N bb951fe3e4cfe49a9e2edc39a4e58c6b [0,1,0,0,0,0|1,0,1]=3 3058 B10R0.71 CCCSCCOCCC=O 04aca3fd2855c5ae48462fe4887f3d74 [0,1,0,0,0,0|1,0,1]=3 3059 B10R0.71 CCCSCCOCCCF c2df45484e1f04796f55039c6c01149a [0,1,0,0,0,0|1,0,0]=2 3060 B10R0.71 CCCSCCOCCCS 5c85cc065b8d075793169fe91e12b9a6 [0,1,0,0,0,0|1,0,0]=2 3061 B10R0.71 CCCSCCOCCOC 6ee02793d5fe53c6051c2b73c029160a [0,1,0,0,0,0|1,0,0]=2 3062 B10R0.71 CCCSCCOCCSC 619f33b0b6b5069ab424bef912e65bf1 [0,1,0,0,0,0|1,0,0]=2 3063 B10R0.71 CCCSCCOCOCC 4185e41a27ecf720c5ad46b42494d0f9 [0,1,0,0,0,0|1,0,0]=2 3064 B10R0.71 CCCSCCOCSC#N e3042bea85d570283bb6993823c6b716 [0,1,0,0,0,0|2,0,1]=4 3065 B10R0.71 CCNCCCCCCCO fc9b8a8b51004dd7f2bdc1e19b84756b [0,1,0,0,0,0|2,0,0]=3 3066 B10R0.71 CCNCCCCSCCO 9cc3bb61eaf41c8a4923a6db1250aa82 [0,1,0,0,0,0|3,0,0]=4 3067 B10R0.71 CCNCCCOCCCO 47d0e11f0fe7477fa63a8b913e01e66b [0,1,0,0,0,0|1,0,0]=2 3068 B10R0.71 CCNCCCOCCOC 2b72e76c302d9f2c23aaf01a3b73ab0a [0,1,0,0,0,0|1,0,0]=2 3069 B10R0.71 CCNCCCOCCSC f1f564b79311e99b3e72733e90006265 [0,1,0,0,0,0|1,0,0]=2 3070 B10R0.71 CCNCCOCCOCC 5f32edce029bc6a5247f81269ebb6cbd [0,1,0,0,0,0|1,0,0]=2 3071 B10R0.71 CCOCCCCCCOC 4054b0cb119b3fa57bc1a0eeb14de41e [0,1,0,0,0,0|2,0,0]=3 3072 B10R0.71 CCOCCCNCCC#N 1350c2119dfef21220f0810a92e393af [0,1,0,0,0,0|2,0,1]=4 3073 B10R0.71 CCOCCCNCCC=O 919c30e425f23fce621e7b3f87b21a82 [0,1,0,0,0,0|2,0,1]=4 3074 B10R0.71 CCOCCCNCCCCl 07dd60015dfc25e2baad72971d66a47d [0,1,0,0,0,0|2,0,0]=3 3075 B10R0.71 CCOCCCNCCCF cd8fe7435d6e67977421865eaba08a95 [0,1,0,0,0,0|2,0,0]=3 3076 B10R0.71 CCOCCCNCCCO b075d31a0576ac4ce5af21cb018680ed [0,1,0,0,0,0|2,0,0]=3 3077 B10R0.71 CCOCCCNCCCS a007cf7186e66722e497815746a2d0ec [0,1,0,0,0,0|2,0,0]=3 3078 B10R0.71 CCOCCCNCCOC cfeea7690a41d701419acc5f0ca375bc [0,1,0,0,0,0|2,0,0]=3 3079 B10R0.71 CCOCCCNCCON 6358bfdac3a1a343106858b5e9b40409 [0,1,0,0,0,0|3,0,0]=4 3080 B10R0.71 CCOCCCNCCSC f0d3a622ea786449240bcfc9fdac1ee3 [0,1,0,0,0,0|2,0,0]=3 3081 B10R0.71 CCOCCCNCOCC 5c94f07672bba573794d7ebaaaf50bb5 [0,1,0,0,0,0|2,0,0]=3 3082 B10R0.71 CCOCCCOC/C=C/Cl 5da8cb0ef22ee7d12d5b048aaabac0aa [0,1,0,0,0,0|1,0,2]=4 3083 B10R0.71 CCOCCCOC/C=C\Cl cfc44f635eef478f1e17396fceb62b76 [0,1,0,0,0,0|1,0,2]=4 3084 B10R0.71 CCOCCCOCC#CI e522f879e061a7c9ee60fe913040f86d [0,1,0,0,0,0|1,0,2]=4 3085 B10R0.71 CCOCCCOCC=CCl 89ad27a37a9bfb25619279ab7d7c0833 [0,1,0,0,0,0|1,0,2]=4 3086 B10R0.71 CCOCCCOCCC#N 2dfa40c26f18ac2bbeacf3b6d6a5dabc [0,1,0,0,0,0|1,0,1]=3 3087 B10R0.71 CCOCCCOCCC=O 92e4346ec52c6edbbc2511fd64330f33 [0,1,0,0,0,0|1,0,1]=3 3088 B10R0.71 CCOCCCOCCCF b35bf1ac62461dff8e8a6433d528ce47 [0,1,0,0,0,0|1,0,0]=2 3089 B10R0.71 CCOCCCOCCCS 5a3fb37aab52a4b5c1a3633304843f2d [0,1,0,0,0,0|1,0,0]=2 3090 B10R0.71 CCOCCCOCCOC 86d49f1c0e918986d65abbc263be35e3 [0,1,0,0,0,0|1,0,0]=2 3091 B10R0.71 CCOCCCOCCSC 7e6593cfd8fbe8a0366c6c086d62c695 [0,1,0,0,0,0|1,0,0]=2 3092 B10R0.71 CCOCCCOCOCC bda2c234d3de22b72b74da925ab0ea52 [0,1,0,0,0,0|1,0,0]=2 3093 B10R0.71 CCOCCCOCSC#N d11e4b1fc8f03c62a2e4f10317f8c260 [0,1,0,0,0,0|2,0,1]=4 3094 B10R0.71 CCOCCNCCCC#N 6b5996d0076253599b52a9e3e076df85 [0,1,0,0,0,0|2,0,1]=4 3095 B10R0.71 CCOCCNCCCC=O a8e3974e3a3fa2b0a2c573f75b0c1bfc [0,1,0,0,0,0|2,0,1]=4 3096 B10R0.71 CCOCCNCCCCCl 934fd415aab9bef81ee58fc260d4f134 [0,1,0,0,0,0|2,0,0]=3 3097 B10R0.71 CCOCCNCCCCF 39e36c4514821dbf33e3448cb6645d4a [0,1,0,0,0,0|2,0,0]=3 3098 B10R0.71 CCOCCNCCCCO c2765a5f377f959beb3e3c80dc514c5d [0,1,0,0,0,0|2,0,0]=3 3099 B10R0.71 CCOCCNCCCCS 830680d7ab778d13a5095a4b26a0ec8f [0,1,0,0,0,0|2,0,0]=3 3100 B10R0.71 CCOCCNCCCOC abac0a126993abc0c01048088b4b9141 [0,1,0,0,0,0|2,0,0]=3 3101 B10R0.71 CCOCCNCCCSC 25582452943eb67b3b1c4af0e185992f [0,1,0,0,0,0|2,0,0]=3 3102 B10R0.71 CCOCCNCCOCC 825840a74ead14d8d4f3bbac3b2cae7c [0,1,0,0,0,0|2,0,0]=3 3103 B10R0.71 CCOCCNCCSCC 3b0f94e46e729b430af9768fec2473ea [0,1,0,0,0,0|2,0,0]=3 3104 B10R0.71 CCOCCOCCCC#N f81c4e8be9a7741e6d4ee54db1e7499f [0,1,0,0,0,0|1,0,1]=3 3105 B10R0.71 CCOCCOCCCC=O b24127ff9c79cd4d7017e2d84818fe52 [0,1,0,0,0,0|1,0,1]=3 3106 B10R0.71 CCOCCOCCCCF 48ad7f28261a2ea0c2123b939539c9d8 [0,1,0,0,0,0|1,0,0]=2 3107 B10R0.71 CCOCCOCCCCS 518cf76116aed980c0a2180ee00dd264 [0,1,0,0,0,0|1,0,0]=2 3108 B10R0.71 CCOCCOCCCOC c7170da04bbfc7f7cb885af7e5fd026e [0,1,0,0,0,0|1,0,0]=2 3109 B10R0.71 CCOCCOCCCSC c38972a063809e2df85a883511294af3 [0,1,0,0,0,0|1,0,0]=2 3110 B10R0.71 CCOCCOCCNC#N d4f17a0fcafabef960b707105bbb29e7 [0,1,0,0,0,0|2,0,1]=4 3111 B10R0.71 CCOCCOCCNC=O ae616aea066de2e8dae386596c350480 [0,1,0,0,0,0|2,0,1]=4 3112 B10R0.71 CCOCCOCCNCF 62a2d8531d28586c3792f908defabf7f [0,1,0,0,0,0|2,0,0]=3 3113 B10R0.71 CCOCCOCCNCO 4afd5865edd57d5fd6684959ad20dd26 [0,1,0,0,0,0|2,0,0]=3 3114 B10R0.71 CCOCCOCCOC=O cd8105de360c73ea87c3d33588a475a7 [0,1,0,0,0,0|2,0,1]=4 3115 B10R0.71 CCOCCOCCOCC e371d1cb764f70557a0d4dc1d3182df8 [0,1,0,0,0,0|1,0,0]=2 3116 B10R0.71 CCOCCOCCOCF bbdd156e2a8c2a25dec65476268bf087 [0,1,0,0,0,0|2,0,0]=3 3117 B10R0.71 CCOCCOCCSCC 8fb694056e2f78315508ba3070af5a7c [0,1,0,0,0,0|1,0,0]=2 3118 B10R0.71 CCOCNCCCCC#N 9387e081395a772393ef131b8969b5c8 [0,1,0,0,0,0|2,0,1]=4 3119 B10R0.71 CCOCNCCCCCCl 18d79e2470be0401d650e73e7dffed05 [0,1,0,0,0,0|2,0,0]=3 3120 B10R0.71 CCOCNCCCCCO 342967161ee32ea30677a794bea2e604 [0,1,0,0,0,0|2,0,0]=3 3121 B10R0.71 CCOCNCCCCOC c8aadc7fd0ecad94101664035b5dcb0a [0,1,0,0,0,0|2,0,0]=3 3122 B10R0.71 CCOCNCCCCSC 15a58cd7a7a391dd8f3f13a25e51856b [0,1,0,0,0,0|2,0,0]=3 3123 B10R0.71 CCOCNCCOCCO b1bf2d6fb1abe97144c8f5bbf779d3b7 [0,1,0,0,0,0|3,0,0]=4 3124 B10R0.71 CCOCNCCOCCS d4368ec1d80adad7a4d9d62b8bf6df35 [0,1,0,0,0,0|3,0,0]=4 3125 B10R0.71 CCOCNCCSCCO 0ecee3bc6db484db151fd600e0f1de2e [0,1,0,0,0,0|3,0,0]=4 3126 B10R0.71 CCOCOCCCCC#N 02017473805a232216ff24c67a8a8829 [0,1,0,0,0,0|1,0,1]=3 3127 B10R0.71 CCOCOCCCCC=O 806ea60cee9ee60c73146305a4648194 [0,1,0,0,0,0|1,0,1]=3 3128 B10R0.71 CCOCOCCCCOC 915704c151d10769b6018e77d6159ac5 [0,1,0,0,0,0|1,0,0]=2 3129 B10R0.71 CCOCOCCCCSC 775f9873e83d33ed64cef755812a1118 [0,1,0,0,0,0|1,0,0]=2 3130 B10R0.71 CCOCOCCCSCC 0b74f7a6f67e9f31725361da5e9273b0 [0,1,0,0,0,0|1,0,0]=2 3131 B10R0.71 CCOCOCCOCC=O df49dbf77001264fefed3b2aa792403c [0,1,0,0,0,0|2,0,1]=4 3132 B10R0.71 CCOCOCCOCCF 434ffadd9d5dfcf998efc3d661c64d78 [0,1,0,0,0,0|2,0,0]=3 3133 B10R0.71 CCOCOCCOCCS 2dee828fe7a5cd9c8c33b082e0747f74 [0,1,0,0,0,0|2,0,0]=3 3134 B10R0.71 CCSCCCCNCCF 2af286f98954ed846fd54181a64b1ad6 [0,1,0,0,0,0|3,0,0]=4 3135 B10R0.71 CCSCCCCNCCO d49169998c95c8ac05194e3d506507c0 [0,1,0,0,0,0|3,0,0]=4 3136 B10R0.71 CCSCCCCNCCS b547ca4c95b5c668a60bbdf670735c54 [0,1,0,0,0,0|3,0,0]=4 3137 B10R0.71 CCSCCCCNCOC 4c8c83e7be762139ef57c3a28c649a5b [0,1,0,0,0,0|3,0,0]=4 3138 B10R0.71 CCSCCCCNCSC d0de013f7f1c4127d6e076919c3e14d8 [0,1,0,0,0,0|3,0,0]=4 3139 B10R0.71 CCSCCCNCCC#N 5191e76f5230e1cbbdddfadc87829c02 [0,1,0,0,0,0|2,0,1]=4 3140 B10R0.71 CCSCCCNCCCCl fe8c48cff5e3fdba17274c3a663dedd4 [0,1,0,0,0,0|2,0,0]=3 3141 B10R0.71 CCSCCCNCCCO 47d2735b827a9b180dc3f69415f85455 [0,1,0,0,0,0|2,0,0]=3 3142 B10R0.71 CCSCCCNCCOC ce843ac43eee73906020a7978b7c2670 [0,1,0,0,0,0|2,0,0]=3 3143 B10R0.71 CCSCCCNCCON 5a19ae554c152729b248e017d33fe55f [0,1,0,0,0,0|3,0,0]=4 3144 B10R0.71 CCSCCCNCCSC 227a434d34946762e7141ac04f789056 [0,1,0,0,0,0|2,0,0]=3 3145 B10R0.71 CCSCCCOC/C=C/Cl abbf41a31a937dc8ae56bd875c8bae84 [0,1,0,0,0,0|1,0,2]=4 3146 B10R0.71 CCSCCCOC/C=C\Cl 90c46f4e217f8fcc45f2f5357cbbf4e4 [0,1,0,0,0,0|1,0,2]=4 3147 B10R0.71 CCSCCCOCC#CI c6b3f92553bb9e7ebc73604dbcc94ccc [0,1,0,0,0,0|1,0,2]=4 3148 B10R0.71 CCSCCCOCC=CCl 027a6cca82d4b3071c1258258d7da5e5 [0,1,0,0,0,0|1,0,2]=4 3149 B10R0.71 CCSCCCOCCC#N 0ede126aaee6d63aa38bab6a89bd5260 [0,1,0,0,0,0|1,0,1]=3 3150 B10R0.71 CCSCCCOCCC=O b3576a09b39df7307cc45f7dc67d57ae [0,1,0,0,0,0|1,0,1]=3 3151 B10R0.71 CCSCCCOCCCF da8ebf8ef956a447a2622665209066ff [0,1,0,0,0,0|1,0,0]=2 3152 B10R0.71 CCSCCCOCCCS 20e48a9db1d8288875a5ef6318b27a21 [0,1,0,0,0,0|1,0,0]=2 3153 B10R0.71 CCSCCCOCCOC 184324569a695c14f2d49871f1e33d60 [0,1,0,0,0,0|1,0,0]=2 3154 B10R0.71 CCSCCCOCCSC 21daf581564f85521ee1e3a25d829227 [0,1,0,0,0,0|1,0,0]=2 3155 B10R0.71 CCSCCCOCSC#N bb69f4a0f02eea2d3224d7ebabc20059 [0,1,0,0,0,0|2,0,1]=4 3156 B10R0.71 CCSCCNCCCC#N 9a4aa3ce07cf75fd011ea023094b9b81 [0,1,0,0,0,0|2,0,1]=4 3157 B10R0.71 CCSCCNCCCC=O cd3237ae64f38a142c6c221750b0fc89 [0,1,0,0,0,0|2,0,1]=4 3158 B10R0.71 CCSCCNCCCCCl e05a6921789090feb258ba7c527e6ea6 [0,1,0,0,0,0|2,0,0]=3 3159 B10R0.71 CCSCCNCCCCF 14212c0cd85fc42486de21afda266168 [0,1,0,0,0,0|2,0,0]=3 3160 B10R0.71 CCSCCNCCCCO 193cb6b252a8317350402e130583726e [0,1,0,0,0,0|2,0,0]=3 3161 B10R0.71 CCSCCNCCCCS 5e10e803bac61299a7a9789ce7e9e58f [0,1,0,0,0,0|2,0,0]=3 3162 B10R0.71 CCSCCNCCCOC 54b31542e202a8ad2105077f71243d91 [0,1,0,0,0,0|2,0,0]=3 3163 B10R0.71 CCSCCNCCCSC 6c5572583cb8524ef3bc363525ba21b2 [0,1,0,0,0,0|2,0,0]=3 3164 B10R0.71 CCSCCNCCSCC 766351065a3f20f33c7f8bf715afac9e [0,1,0,0,0,0|2,0,0]=3 3165 B10R0.71 CCSCCOCCCC#N b4cbcdcd2851f8f39dd85995f55ed4cf [0,1,0,0,0,0|1,0,1]=3 3166 B10R0.71 CCSCCOCCCC=O 0e80ab4c57e8d8dffb2a4be0fb1f4459 [0,1,0,0,0,0|1,0,1]=3 3167 B10R0.71 CCSCCOCCCCF df2ef170c3518f5fdc16d0e596411dbd [0,1,0,0,0,0|1,0,0]=2 3168 B10R0.71 CCSCCOCCCCS 6cadcd4fc042fb5b664576424db46a66 [0,1,0,0,0,0|1,0,0]=2 3169 B10R0.71 CCSCCOCCCOC a174d929fda302181c1f8aa46f0d321b [0,1,0,0,0,0|1,0,0]=2 3170 B10R0.71 CCSCCOCCCSC 4df7d0f0fece382dbc1b5235bcdfe089 [0,1,0,0,0,0|1,0,0]=2 3171 B10R0.71 CCSCCOCCNC=O 3c7f5d5048d018a31705b4fbc42cd1f1 [0,1,0,0,0,0|2,0,1]=4 3172 B10R0.71 CCSCCOCCOC=O 6da303f3a52377f4ba0a272546a9f335 [0,1,0,0,0,0|2,0,1]=4 3173 B10R0.71 CCSCCOCCSCC aeb5bd3cb85dc8d64ed7427fa2c457ef [0,1,0,0,0,0|1,0,0]=2 3174 B10R0.71 COCC#CCOCCCF a41f2e42fddc078af57c2ac1039dda8f [0,1,0,0,0,0|1,0,2]=4 3175 B10R0.71 COCC#CCOCCOC 966b358034085cd17a264023f32a8d99 [0,1,0,0,0,0|1,0,2]=4 3176 B10R0.71 COCC#CCOCCSC aa2fe7a6a1a6b35ee105560623f1505f [0,1,0,0,0,0|1,0,2]=4 3177 B10R0.71 COCCCCCCOCF 5bc07591ce5eedb6d096a50f252dd1bf [0,1,0,0,0,0|3,0,0]=4 3178 B10R0.71 COCCCCCNCCBr 7a698496282534a3fefd827a7ee7d4ad [0,1,0,0,0,0|3,0,0]=4 3179 B10R0.71 COCCCCCNCCF ae93955373c39260be83c7c074b40653 [0,1,0,0,0,0|3,0,0]=4 3180 B10R0.71 COCCCCCNCCI 88438a281dceae4357ca69b6a34a2dfc [0,1,0,0,0,0|3,0,0]=4 3181 B10R0.71 COCCCCCNCCO a4e90d1195ad0a2e045d4e3da7d08436 [0,1,0,0,0,0|3,0,0]=4 3182 B10R0.71 COCCCCCNCCS 9628634822f8e69d182a984c93b55638 [0,1,0,0,0,0|3,0,0]=4 3183 B10R0.71 COCCCCCNCOC 5768a135f57f989dec3eb0dff41b1b99 [0,1,0,0,0,0|3,0,0]=4 3184 B10R0.71 COCCCCCNCSC ac5825010475d9c558c3e1f9c38305bf [0,1,0,0,0,0|3,0,0]=4 3185 B10R0.71 COCCCCCOCCF f3a211ec0c8c52ca98e8eb9c9f8303f1 [0,1,0,0,0,0|3,0,0]=4 3186 B10R0.71 COCCCCCOCCS 3ec9d0d72d8c29a4fa761e5a2ff812c2 [0,1,0,0,0,0|3,0,0]=4 3187 B10R0.71 COCCCCCOCOC 507fdc97f92608c5104edd21704e17b0 [0,1,0,0,0,0|3,0,0]=4 3188 B10R0.71 COCCCCNCCC#N 6a6cd02802bc51134d90da07cd19ecc9 [0,1,0,0,0,0|2,0,1]=4 3189 B10R0.71 COCCCCNCCC=O bcf1db108f2651749489c3b772b7f80b [0,1,0,0,0,0|2,0,1]=4 3190 B10R0.71 COCCCCNCCCCl 7b0771a943f9f6d4d18c496a109e93d2 [0,1,0,0,0,0|2,0,0]=3 3191 B10R0.71 COCCCCNCCCF 9bbf1bdbca66b9b25416ddf53ec9d0d1 [0,1,0,0,0,0|2,0,0]=3 3192 B10R0.71 COCCCCNCCCO e680b9774f4f9b4a017e9897fb0e030c [0,1,0,0,0,0|2,0,0]=3 3193 B10R0.71 COCCCCNCCCS 246e4ac28937f89bdf4287a0cca1803a [0,1,0,0,0,0|2,0,0]=3 3194 B10R0.71 COCCCCNCCOC 30d1070ea571ed8d9f488497b50b58d2 [0,1,0,0,0,0|2,0,0]=3 3195 B10R0.71 COCCCCNCCON a7d06719b011425186ab3b5026034121 [0,1,0,0,0,0|3,0,0]=4 3196 B10R0.71 COCCCCNCCSC d46023f2d925ab3f47ad6081174fe4d1 [0,1,0,0,0,0|2,0,0]=3 3197 B10R0.71 COCCCCOC/C=C/Cl eb2901f2723b25e94db1d31db0c03efc [0,1,0,0,0,0|1,0,2]=4 3198 B10R0.71 COCCCCOC/C=C\Cl 367b27e22df966a4b0f76582ed007279 [0,1,0,0,0,0|1,0,2]=4 3199 B10R0.71 COCCCCOCC#CI d77e494f5a9bc31c1182cece357efa30 [0,1,0,0,0,0|1,0,2]=4 3200 B10R0.71 COCCCCOCC=CCl 1e80700b4420b63003bc78e54b241640 [0,1,0,0,0,0|1,0,2]=4 3201 B10R0.71 COCCCCOCCC#N 7e436db1e25d81637f1f429b3d74382f [0,1,0,0,0,0|1,0,1]=3 3202 B10R0.71 COCCCCOCCC=O 920c024d9ff9bded6a53740612fb580d [0,1,0,0,0,0|1,0,1]=3 3203 B10R0.71 COCCCCOCCCF e6872cd38809d1806361f7ad32f2a527 [0,1,0,0,0,0|1,0,0]=2 3204 B10R0.71 COCCCCOCCCS ab904d46ca6f0f0892fbfc7c57dda8ab [0,1,0,0,0,0|1,0,0]=2 3205 B10R0.71 COCCCCOCCOC 379baa265a89cf9fa652b6f6ebaa5e6d [0,1,0,0,0,0|1,0,0]=2 3206 B10R0.71 COCCCCOCCSC b497ccff6bc26ea83e7425dcecf604f3 [0,1,0,0,0,0|1,0,0]=2 3207 B10R0.71 COCCCCOCSC#N 5fd6bfc691ec4e895f025fc729fb54a8 [0,1,0,0,0,0|2,0,1]=4 3208 B10R0.71 COCCCNCCCC#N f528904ba908491fdcfdd5ae55bfe6dd [0,1,0,0,0,0|2,0,1]=4 3209 B10R0.71 COCCCNCCCC=O 9aed4760aa5268d3defa3d9fe6e72fc2 [0,1,0,0,0,0|2,0,1]=4 3210 B10R0.71 COCCCNCCCCCl 5999e26b65ba26b97698df8e0a0fa4b2 [0,1,0,0,0,0|2,0,0]=3 3211 B10R0.71 COCCCNCCCCF 340547664316360e0b4836fa6bb81090 [0,1,0,0,0,0|2,0,0]=3 3212 B10R0.71 COCCCNCCCCO bbb0a0cab4d8bfd8f0a4628529389dc7 [0,1,0,0,0,0|2,0,0]=3 3213 B10R0.71 COCCCNCCCCS 26ce0ea4f1e3c6901c2c094002c7f7ca [0,1,0,0,0,0|2,0,0]=3 3214 B10R0.71 COCCCNCCCOC 6b25fec743b61aaa4a592309dfa18867 [0,1,0,0,0,0|2,0,0]=3 3215 B10R0.71 COCCCNCCCSC 06fe410cf918479446c4f442702f3916 [0,1,0,0,0,0|2,0,0]=3 3216 B10R0.71 COCCCOCCCC#N 0d50e484e3050dab12daae68b31f44d7 [0,1,0,0,0,0|1,0,1]=3 3217 B10R0.71 COCCCOCCCC=O 79af4fe20b656d14d46dea2166989e4d [0,1,0,0,0,0|1,0,1]=3 3218 B10R0.71 COCCCOCCCCF 1513601fe13cf3bb08e57a5826b91906 [0,1,0,0,0,0|1,0,0]=2 3219 B10R0.71 COCCCOCCCCS f81040082756c3c5657c640fd026213a [0,1,0,0,0,0|1,0,0]=2 3220 B10R0.71 COCCCOCCCOC c23b15175ba98778655d04671aa2fc22 [0,1,0,0,0,0|1,0,0]=2 3221 B10R0.71 COCCCOCCCSC 23110c14aa79d66c229987eba6774fe8 [0,1,0,0,0,0|1,0,0]=2 3222 B10R0.71 COCCCOCCNC=O d5fc58f2fc351320ccb23346f6db3ee0 [0,1,0,0,0,0|2,0,1]=4 3223 B10R0.71 COCCCOCCOC=O f1eb81de4a4564fc9b373c8bbac086ae [0,1,0,0,0,0|2,0,1]=4 3224 B10R0.71 COCCNCCCCC#N 3ba163aa20a672a5bf0e23bbbcee4d17 [0,1,0,0,0,0|2,0,1]=4 3225 B10R0.71 COCCNCCCCC=O bc6c422265c6e9088c0106f323f77ea0 [0,1,0,0,0,0|2,0,1]=4 3226 B10R0.71 COCCNCCCCCCl 145bed3b7e22655c5ad1fc50643ef3bc [0,1,0,0,0,0|2,0,0]=3 3227 B10R0.71 COCCNCCCCCF f3d5ce09a7965b9585734f07366d1c5e [0,1,0,0,0,0|2,0,0]=3 3228 B10R0.71 COCCNCCCCCO 9c9ec868dcc297038561eacd64e4095b [0,1,0,0,0,0|2,0,0]=3 3229 B10R0.71 COCCNCCCCON 16d12092b929735e41173329098330fc [0,1,0,0,0,0|3,0,0]=4 3230 B10R0.71 COCCNCCCCSC dbf5931f0162b29f8e18c3dbe4dc57f0 [0,1,0,0,0,0|2,0,0]=3 3231 B10R0.71 COCCNCCOCCO afe500b1837ad4d23f0cdca11c7f409c [0,1,0,0,0,0|3,0,0]=4 3232 B10R0.71 COCCNCCOCCS 29c820e396d58cf2ae9d109fa796a80e [0,1,0,0,0,0|3,0,0]=4 3233 B10R0.71 COCCNCCOCOC 1cd92b0b213789ab5bd93dc9de6a39e9 [0,1,0,0,0,0|3,0,0]=4 3234 B10R0.71 COCCNCCSCCO b3e51272a9e435e8fe6e5728f8c2e645 [0,1,0,0,0,0|3,0,0]=4 3235 B10R0.71 COCCNCOCCOC 231052ec9a0a49418e915c2a00a3cd5c [0,1,0,0,0,0|2,0,0]=3 3236 B10R0.71 COCCOCCCCC#N d8b0946e8c6a165591264bda3cb20ad7 [0,1,0,0,0,0|1,0,1]=3 3237 B10R0.71 COCCOCCCCC=O 6b541abfc9aefb5f7d5b8f086dc51d76 [0,1,0,0,0,0|1,0,1]=3 3238 B10R0.71 COCCOCCCCCF 4e5f4f6eedb72d35ca16a01d8e944d7b [0,1,0,0,0,0|1,0,0]=2 3239 B10R0.71 COCCOCCCCSC 9a3d705a7acc5ce3f2ef2242637c187e [0,1,0,0,0,0|1,0,0]=2 3240 B10R0.71 COCCOCCCNC#N 096157dc41c09fd5d5f9e033b0e3a39d [0,1,0,0,0,0|2,0,1]=4 3241 B10R0.71 COCCOCCCNC=O ba532e589e4b745aca42389059191602 [0,1,0,0,0,0|2,0,1]=4 3242 B10R0.71 COCCOCCCNCF 6b1d4b80853b30ef1a3b933a84f3a52f [0,1,0,0,0,0|2,0,0]=3 3243 B10R0.71 COCCOCCCNCO fa9eea6b2d69aee72c08770e8cbfd184 [0,1,0,0,0,0|2,0,0]=3 3244 B10R0.71 COCCOCCCOCF b7e48035d5f73f597c1ec870b6b5712f [0,1,0,0,0,0|2,0,0]=3 3245 B10R0.71 COCCOCCNCC#N 3bd6b6d66ffd8ca1c2e3522718d34cd0 [0,1,0,0,0,0|2,0,1]=4 3246 B10R0.71 COCCOCCNCC=O 8aeefd7c7878c619addff66e33f08377 [0,1,0,0,0,0|2,0,1]=4 3247 B10R0.71 COCCOCCNCCBr 61bea258de92264128a803502d4db78f [0,1,0,0,0,0|2,0,0]=3 3248 B10R0.71 COCCOCCNCCF abb57907767d5e0bec98b112ecb24670 [0,1,0,0,0,0|2,0,0]=3 3249 B10R0.71 COCCOCCNCCI a7d99a0b382e62c308b429c0866c70f8 [0,1,0,0,0,0|2,0,0]=3 3250 B10R0.71 COCCOCCNCCO c7705be142ac1bec515cf30d0cf7cff5 [0,1,0,0,0,0|2,0,0]=3 3251 B10R0.71 COCCOCCNCCS 8802658f66177b379bf562c13a02f2af [0,1,0,0,0,0|2,0,0]=3 3252 B10R0.71 COCCOCCNCOC 6b57110c708db9eafad46c0828a4504d [0,1,0,0,0,0|2,0,0]=3 3253 B10R0.71 COCCOCCNCSC e956eb32e3703afb34ff15f94c15a514 [0,1,0,0,0,0|2,0,0]=3 3254 B10R0.71 COCCOCCOCC#N 00518c8d082ad2b4640cbfdb8188c94d [0,1,0,0,0,0|2,0,1]=4 3255 B10R0.71 COCCOCCOCC=O 177897e12b65cb3451f30446f701b656 [0,1,0,0,0,0|2,0,1]=4 3256 B10R0.71 COCCOCCOCCF 2d55be27516ccace9bc34726499cd6c8 [0,1,0,0,0,0|2,0,0]=3 3257 B10R0.71 COCCOCCOCCS 74bce5d66869cc47588fad93790d89c4 [0,1,0,0,0,0|2,0,0]=3 3258 B10R0.71 COCCOCCOCOC e389505743fb28a2783e05f2c5b2f84c [0,1,0,0,0,0|2,0,0]=3 3259 B10R0.71 COCCOCCOCSC 0a7cb1a8691d7cf72108507a96aba9a3 [0,1,0,0,0,0|2,0,0]=3 3260 B10R0.71 COCCOCNCCC#N 86b530a0b84f1e5c0b841b70a2a96842 [0,1,0,0,0,0|2,0,1]=4 3261 B10R0.71 COCCOCNCCCCl 197ee27979c4084fc2284b5fd4a4e6db [0,1,0,0,0,0|2,0,0]=3 3262 B10R0.71 COCCOCNCCCO 5b3227bba5977d879c6c84b2d9f85fa2 [0,1,0,0,0,0|2,0,0]=3 3263 B10R0.71 COCCOCNCCON 05ec4dea564822d921a9d569c46d23c7 [0,1,0,0,0,0|3,0,0]=4 3264 B10R0.71 COCCOCNCCSC 442ee2e4cd96c0ca55efe2899b278892 [0,1,0,0,0,0|2,0,0]=3 3265 B10R0.71 COCCOCOCCC#N 92bcddc6d40405481b89c6decc642a37 [0,1,0,0,0,0|2,0,1]=4 3266 B10R0.71 COCCOCOCCC=O 0581bfab3081f3b6e0287550171c6223 [0,1,0,0,0,0|2,0,1]=4 3267 B10R0.71 COCCOCOCCCF e569fe69ddbc30011dee8ff1aee9c793 [0,1,0,0,0,0|2,0,0]=3 3268 B10R0.71 COCCOCOCCCS 06f1c9d3bbb911de48ca77686aaeb40f [0,1,0,0,0,0|2,0,0]=3 3269 B10R0.71 COCCOCOCCOC 0d20fbcf3fb2a3bd429c04b1246b4985 [0,1,0,0,0,0|2,0,0]=3 3270 B10R0.71 COCCOCOCCSC bf9089144f1db6bb58cc0168538d5160 [0,1,0,0,0,0|2,0,0]=3 3271 B10R0.71 COCNCCCCCCCl 1e004d66eee27279f731283e881dc719 [0,1,0,0,0,0|3,0,0]=4 3272 B10R0.71 COCNCCCCCCO f2859e933bab15050a7e0cdf65c99b0d [0,1,0,0,0,0|3,0,0]=4 3273 B10R0.71 COCNCCOCCCO 68edc1abcac44a19e12d37839456e239 [0,1,0,0,0,0|2,0,0]=3 3274 B10R0.71 COCNCCOCCON b781b33d951a6af99e64b36a1a1e206a [0,1,0,0,0,0|3,0,0]=4 3275 B10R0.71 COCOCCCCCCF 17161ed12e555e55431c451f9ea8f8e9 [0,1,0,0,0,0|3,0,0]=4 3276 B10R0.71 COCOCCCCCCS 74af74e3e3beffe2982557911f35d8b8 [0,1,0,0,0,0|3,0,0]=4 3277 B10R0.71 COCOCCNCCCCl 1a9136d0be8c641c76b73e62b5ceba40 [0,1,0,0,0,0|3,0,0]=4 3278 B10R0.71 COCOCCNCCCO 5e09033284e825cc2dd74b868346b42d [0,1,0,0,0,0|3,0,0]=4 3279 B10R0.71 COCOCCNCCSC 430e1333bd882e442c57589f170d2bba [0,1,0,0,0,0|3,0,0]=4 3280 B10R0.71 COCOCCOCCC#N 5d4484ad727e14c8fd1d0ca48bded2be [0,1,0,0,0,0|2,0,1]=4 3281 B10R0.71 COCOCCOCCC=O 745758f570463a33831a032e7602aa51 [0,1,0,0,0,0|2,0,1]=4 3282 B10R0.71 COCOCCOCCCF 387c2b3a9feb64c32d3d93701b8d0054 [0,1,0,0,0,0|2,0,0]=3 3283 B10R0.71 COCOCCOCCCS c619bb59e5ea6e8d5a7a85e66f2bb8ec [0,1,0,0,0,0|2,0,0]=3 3284 B10R0.71 COCOCCOCCSC c1c37a0ec5403bd05bab44410dbf50dc [0,1,0,0,0,0|2,0,0]=3 3285 B10R0.71 CSCCCCNCCC#N 0d246d4adebf884a4fdca3753e042901 [0,1,0,0,0,0|2,0,1]=4 3286 B10R0.71 CSCCCCNCCC=O a4fbba1777d91296aec29086c8318691 [0,1,0,0,0,0|2,0,1]=4 3287 B10R0.71 CSCCCCNCCCF 19e281e56fa699ef9dc6c4ec47827759 [0,1,0,0,0,0|2,0,0]=3 3288 B10R0.71 CSCCCCNCCCO 536a2256947d5d7bf96225f7139cf4a5 [0,1,0,0,0,0|2,0,0]=3 3289 B10R0.71 CSCCCCNCCCS 47ae1b2524e757773a092f3a2b6c3650 [0,1,0,0,0,0|2,0,0]=3 3290 B10R0.71 CSCCCCNCCSC 4cc4e3abb962ab4da48e7401a69d2ec0 [0,1,0,0,0,0|2,0,0]=3 3291 B10R0.71 CSCCCCOC/C=C/Cl 6ab4f37d60633555dbb1d04277ac8eba [0,1,0,0,0,0|1,0,2]=4 3292 B10R0.71 CSCCCCOC/C=C\Cl 1b3bae9f6e0d350633d714e350a3d3e4 [0,1,0,0,0,0|1,0,2]=4 3293 B10R0.71 CSCCCCOCCC#N 1dc4d36e3168afd143ce10d8693bcc03 [0,1,0,0,0,0|1,0,1]=3 3294 B10R0.71 CSCCCCOCCC=O 6a065f146be1eb60def066554b747dd2 [0,1,0,0,0,0|1,0,1]=3 3295 B10R0.71 CSCCCCOCCCF 8a1b3a8e971206055dce912e15fae07c [0,1,0,0,0,0|1,0,0]=2 3296 B10R0.71 CSCCCCOCCCS 60cea5c30a0a6951485423c11433ff52 [0,1,0,0,0,0|1,0,0]=2 3297 B10R0.71 CSCCCCOCCSC 7774efcc9171d86a8214b5f2ec5d591f [0,1,0,0,0,0|1,0,0]=2 3298 B10R0.71 CSCCCCOCSC#N 117eb8365fc15e6d3f0e5e15eae27b6d [0,1,0,0,0,0|2,0,1]=4 3299 B10R0.71 CSCCCNCCCC#N aaf5b0a15839db97844df62c4696ae9e [0,1,0,0,0,0|2,0,1]=4 3300 B10R0.71 CSCCCNCCCC=O 01ee3ec09855ef4a2876bdf4a5baa2f8 [0,1,0,0,0,0|2,0,1]=4 3301 B10R0.71 CSCCCNCCCCCl 06bb8845fd05ac6b00f5a6667ae22ab6 [0,1,0,0,0,0|2,0,0]=3 3302 B10R0.71 CSCCCNCCCCF e89cfd5d5723552d5ec85cfc5075731f [0,1,0,0,0,0|2,0,0]=3 3303 B10R0.71 CSCCCNCCCCO 5f679e72bf6dab4f5df47d48b627fed0 [0,1,0,0,0,0|2,0,0]=3 3304 B10R0.71 CSCCCNCCCCS 5403ec3feaec8d9cd5aec7230c370b30 [0,1,0,0,0,0|2,0,0]=3 3305 B10R0.71 CSCCCNCCCSC f48aa9472997513f4b66f2b915b3978c [0,1,0,0,0,0|2,0,0]=3 3306 B10R0.71 CSCCCOCCCC#N a81ee46978545a25ded4e1cdf8b9ab42 [0,1,0,0,0,0|1,0,1]=3 3307 B10R0.71 CSCCCOCCCC=O 0e1c9223f3e4d89f214ccc3111c47256 [0,1,0,0,0,0|1,0,1]=3 3308 B10R0.71 CSCCCOCCCCF 7b8bfdf8db8c254d9ea38777019f1908 [0,1,0,0,0,0|1,0,0]=2 3309 B10R0.71 CSCCCOCCCCS 9db249f09bc1f3b711668fde6d338014 [0,1,0,0,0,0|1,0,0]=2 3310 B10R0.71 CSCCCOCCCSC 9b04b66ba015667f3b00d24268040bff [0,1,0,0,0,0|1,0,0]=2 3311 B10R0.71 CSCCCOCCNC=O b143a976c1117c753e2af0d3fd122da4 [0,1,0,0,0,0|2,0,1]=4 3312 B10R0.71 CSCCCOCCOC=O 28f006d32935d42bc81e670c1cb0bdfc [0,1,0,0,0,0|2,0,1]=4 3313 B10R0.71 CSCCNCCCCC#N a78dfd6ec3c3371875d35a38f178826e [0,1,0,0,0,0|2,0,1]=4 3314 B10R0.71 CSCCNCCCCC=O 215548d3cae35566d21205f69c801c10 [0,1,0,0,0,0|2,0,1]=4 3315 B10R0.71 CSCCNCCCCCCl a9d8a31e397e365e5a97cb7872930679 [0,1,0,0,0,0|2,0,0]=3 3316 B10R0.71 CSCCNCCCCCF 36ad00b6c5380ae3be0693b97db10491 [0,1,0,0,0,0|2,0,0]=3 3317 B10R0.71 CSCCNCCCCCO fba793a3b8c32572b1d4ce0517f57c72 [0,1,0,0,0,0|2,0,0]=3 3318 B10R0.71 CSCCNCCCCON ba489bfb96339dba9f6bed61656927a9 [0,1,0,0,0,0|3,0,0]=4 3319 B10R0.71 CSCCNCCOCCO 778afd7e7a2b4636ef495c9bf5cc1e05 [0,1,0,0,0,0|3,0,0]=4 3320 B10R0.71 CSCCNCCOCCS 7d6d2b2c823d7e1e7c5202bc3bbe3672 [0,1,0,0,0,0|3,0,0]=4 3321 B10R0.71 CSCCNCCSCCO a9c46312aa4150f7131e0556c61fe608 [0,1,0,0,0,0|3,0,0]=4 3322 B10R0.71 CSCCOCCCCC#N 817bcae5bf8762af1b1bd141b438d50a [0,1,0,0,0,0|1,0,1]=3 3323 B10R0.71 CSCCOCCCCC=O 8a74c1eee42229a729429931600634e6 [0,1,0,0,0,0|1,0,1]=3 3324 B10R0.71 CSCCOCCCCCF c91dfc969bda30e8e6509f126ab4281b [0,1,0,0,0,0|1,0,0]=2 3325 B10R0.71 CSCCOCCCNC=O ab1000dbec3c5183aa0e8fb14508f01c [0,1,0,0,0,0|2,0,1]=4 3326 B10R0.71 CSCCOCCCNCF f909a86cf16f48b4b253ed2a23c6ff10 [0,1,0,0,0,0|2,0,0]=3 3327 B10R0.71 CSCCOCCCNCO 827ef42eb298dd1f846631ac15c3909e [0,1,0,0,0,0|2,0,0]=3 3328 B10R0.71 CSCCOCCOCC#N 71aeda8b604b9fafeec30914a74ad9bc [0,1,0,0,0,0|2,0,1]=4 3329 B10R0.71 CSCCOCCOCC=O 8ed4e9916856253c5f82ab571e630ad0 [0,1,0,0,0,0|2,0,1]=4 3330 B10R0.71 CSCCOCCOCCF f4225f8d04ca5f48dc82d81523141474 [0,1,0,0,0,0|2,0,0]=3 3331 B10R0.71 CSCCOCCOCCS 5d0d5a29c67cd3927c03f660f9ca86b1 [0,1,0,0,0,0|2,0,0]=3 3332 B10R0.71 CSCNCCCCCCCl cee7262d42f322776d0dd37eb7293230 [0,1,0,0,0,0|3,0,0]=4 3333 B10R0.71 CSCNCCCCCCO 2c18020d880691af439100daf483c0d4 [0,1,0,0,0,0|3,0,0]=4 3334 B10R0.71 CSCNCCOCCCO db1ce9f4b74b7e6b0a1c595d9c118e65 [0,1,0,0,0,0|2,0,0]=3 3335 B10R0.71 CSCNCCOCCON ae6fdb3b27082c8a8231ffb4696fe7cc [0,1,0,0,0,0|3,0,0]=4 3336 B10R0.71 CSCOCCCCCCF 407195bedd704b23d88aa78f6e3e9409 [0,1,0,0,0,0|3,0,0]=4 3337 B10R0.71 CSCOCCCCCCS 2b880cbb43537a4342292b63fff8bea9 [0,1,0,0,0,0|3,0,0]=4 3338 B10R0.71 CSCOCCOCCC#N dd3350c8ab596e9972302f2ad701af57 [0,1,0,0,0,0|2,0,1]=4 3339 B10R0.71 FCCCCCCNCCBr 7969024167660687858cf5c771f6e95b [0,1,0,0,0,0|3,0,0]=4 3340 B10R0.71 FCCCCCCNCCF a2ff0547067d52145fbe35f8b6c40bde [0,1,0,0,0,0|3,0,0]=4 3341 B10R0.71 FCCCCCCNCCI d55529230247f05d7f49dd0ed596c0a9 [0,1,0,0,0,0|3,0,0]=4 3342 B10R0.71 FCCCCCCNCCS 5fa45f367f1766b8f0f0a56e8a663d33 [0,1,0,0,0,0|3,0,0]=4 3343 B10R0.71 FCCCCCCOCCF 00cdd59286754be6318795dcf25dcefd [0,1,0,0,0,0|3,0,0]=4 3344 B10R0.71 FCCCCCCOCCS 92d153e3bb9e1ad67b5771d0667e02fa [0,1,0,0,0,0|3,0,0]=4 3345 B10R0.71 FCCCCCNCCCCl 14475793a84dfc497e39ea94df1874f5 [0,1,0,0,0,0|2,0,0]=3 3346 B10R0.71 FCCCCCOC/C=C/Cl af5092c1264c440a986c63d966510681 [0,1,0,0,0,0|1,0,2]=4 3347 B10R0.71 FCCCCCOCC#CI 0510b7ce54e8e33cd71177932b5b5f62 [0,1,0,0,0,0|1,0,2]=4 3348 B10R0.71 FCCCCCOCC=CCl 079af7f8db28dd301d9dceffabe455c6 [0,1,0,0,0,0|1,0,2]=4 3349 B10R0.71 FCCCCCOCCCF a52d1e432f2925cef5d8939d3ad10c4a [0,1,0,0,0,0|1,0,0]=2 3350 B10R0.71 FCCCCCOCCCS 798f59dd060c2f4d944bccba177b7e14 [0,1,0,0,0,0|1,0,0]=2 3351 B10R0.71 FCCCCNCCCCCl 4563e0b21da3732636b49c0e580ba6d6 [0,1,0,0,0,0|2,0,0]=3 3352 B10R0.71 FCCCCNCCCCS c68f876d022f45b69e4f63b59add4408 [0,1,0,0,0,0|2,0,0]=3 3353 B10R0.71 FCCCCOCCCCF d3ea4d3274100b4f8e6410eaf53051fd [0,1,0,0,0,0|1,0,0]=2 3354 B10R0.71 FCCCCOCCCCS 5580d68170838e946b842c26609ce295 [0,1,0,0,0,0|1,0,0]=2 3355 B10R0.71 FCCCNCCCCCCl c0fe3292013f63f0bf9b51687de088cd [0,1,0,0,0,0|2,0,0]=3 3356 B10R0.71 FCCCNCCOCCS 8628a37828ac479008b01ccca1b5cd99 [0,1,0,0,0,0|3,0,0]=4 3357 B10R0.71 FCCCOCCOCCF 62175d745ba0b00895ba14b768aa1586 [0,1,0,0,0,0|2,0,0]=3 3358 B10R0.71 FCCCOCCOCCS 01984683ae9390089eb2bc14dc44d685 [0,1,0,0,0,0|2,0,0]=3 3359 B10R0.71 FCCNCCCCCCCl bfc4bb8bed860ef5cfc0dffd980f7150 [0,1,0,0,0,0|3,0,0]=4 3360 B10R0.71 FCCOCCCCCCS 521bc1567085794b91ead8aa32f177aa [0,1,0,0,0,0|3,0,0]=4 3361 B10R0.71 FCCOCCOCCCS cf589f7a12a0eebab6f8f2a59015277c [0,1,0,0,0,0|2,0,0]=3 3362 B10R0.71 N#CCCCCNCCCCl ad954401b6bb137ca5e3b60b02abccb8 [0,1,0,0,0,0|2,0,1]=4 3363 B10R0.71 N#CCCCCNCCCF a3466fabd5a1d28481a58d7104131a48 [0,1,0,0,0,0|2,0,1]=4 3364 B10R0.71 N#CCCCCNCCCO 498638d56b773d6df660a7eec6d7069f [0,1,0,0,0,0|2,0,1]=4 3365 B10R0.71 N#CCCCCNCCCS e69f602740fb13e468e4d37fefabb2fe [0,1,0,0,0,0|2,0,1]=4 3366 B10R0.71 N#CCCCCOCCC#N 3420adc75b3b05f4bbccd0721d6f65e9 [0,1,0,0,0,0|1,0,2]=4 3367 B10R0.71 N#CCCCCOCCC=O 9547e16b467759d33dc88bacb51daeb2 [0,1,0,0,0,0|1,0,2]=4 3368 B10R0.71 N#CCCCCOCCCF 5059b55456b00a0cafd976e9c518e568 [0,1,0,0,0,0|1,0,1]=3 3369 B10R0.71 N#CCCCCOCCCS 6414eda1d4d7b4702773944ec5dedd90 [0,1,0,0,0,0|1,0,1]=3 3370 B10R0.71 N#CCCCNCCCCCl 0c1f018b615787c661fbca5c7f12cc7a [0,1,0,0,0,0|2,0,1]=4 3371 B10R0.71 N#CCCCNCCCCF 2c0111c5de921fe2da415f0373ff37c8 [0,1,0,0,0,0|2,0,1]=4 3372 B10R0.71 N#CCCCNCCCCO 54a6f9c7b67a4f7428d07374915a1b19 [0,1,0,0,0,0|2,0,1]=4 3373 B10R0.71 N#CCCCNCCCCS 3f81f57893877de81c0cd1e9ed906334 [0,1,0,0,0,0|2,0,1]=4 3374 B10R0.71 N#CCCCOCCCC#N 3948f022a2066ef186523a4302bf53c2 [0,1,0,0,0,0|1,0,2]=4 3375 B10R0.71 N#CCCCOCCCC=O 970f6ec388a9aef6da425194dac1b063 [0,1,0,0,0,0|1,0,2]=4 3376 B10R0.71 N#CCCCOCCCCF 174105104aac3ad4fce7b8f15c53c987 [0,1,0,0,0,0|1,0,1]=3 3377 B10R0.71 N#CCCCOCCCCS 31711e185a5cd464e397aaad0a97548d [0,1,0,0,0,0|1,0,1]=3 3378 B10R0.71 N#CCCNCCCCCCl 9bf49b11925c7065243f110ddac5fa27 [0,1,0,0,0,0|2,0,1]=4 3379 B10R0.71 N#CCCNCCCCCF 3dbcb5fe605d2e05f97bfb2ea8d207f7 [0,1,0,0,0,0|2,0,1]=4 3380 B10R0.71 N#CCCNCCCCCO 9954609c9fff15a7d1cfe4740350aa9f [0,1,0,0,0,0|2,0,1]=4 3381 B10R0.71 N#CCCOCCCCC=O 152ab39619fd8691a39fb3de68ed1030 [0,1,0,0,0,0|1,0,2]=4 3382 B10R0.71 N#CCCOCCCCCF 2ab3bcbbcd9637aef5ffe482c50ec5d0 [0,1,0,0,0,0|1,0,1]=3 3383 B10R0.71 N#CCCOCCCOCF 38f0ee9b90e77a533e52fec560086727 [0,1,0,0,0,0|2,0,1]=4 3384 B10R0.71 N#CCCOCCOCCF 5f9a7bbf2822349df0878f097007422d [0,1,0,0,0,0|2,0,1]=4 3385 B10R0.71 N#CCCOCCOCCS 11d00db1cd4b732f5a1d94ae2872e5f5 [0,1,0,0,0,0|2,0,1]=4 3386 B10R0.71 N#CCNCCOCCCO f0fd6832802895ba074db45d88570c24 [0,1,0,0,0,0|2,0,1]=4 3387 B10R0.71 N#CCOCCOCCCF 6fadeab74560c2ab4b5bd1efaedd2338 [0,1,0,0,0,0|2,0,1]=4 3388 B10R0.71 N#CCOCCOCCCS e0b6fba0ab144ee975dbe71f17711a4a [0,1,0,0,0,0|2,0,1]=4 3389 B10R0.71 N#CNCCCOCCCO 8850a06f45d3665f60cf02041f3b4532 [0,1,0,0,0,0|2,0,1]=4 3390 B10R0.71 NOCCCCNCCCCl 845cefb6936747c23b7fd1b61e008ac7 [0,1,0,0,0,0|3,0,0]=4 3391 B10R0.71 NOCCCCNCCCO 3a9af48cd2165c222580de9ab2539d17 [0,1,0,0,0,0|3,0,0]=4 3392 B10R0.71 NOCCNCCCCCF 6955c5ffc7ed85fa605d9d982cc7b5bf [0,1,0,0,0,0|3,0,0]=4 3393 B10R0.71 NOCCNCCCCCO 1e9f1faecdb8448fdab92603ae44149a [0,1,0,0,0,0|3,0,0]=4 3394 B10R0.71 NOCCOCCNCCF 32744661ed770c2ace6bfd2eda98ca76 [0,1,0,0,0,0|3,0,0]=4 3395 B10R0.71 NOCCOCCNCCO 19015b80ac59cc0e8a57ae1f05b1ae11 [0,1,0,0,0,0|3,0,0]=4 3396 B10R0.71 NOCCOCCNCCS 054912568c13cc95e2c01b1a21ab57b9 [0,1,0,0,0,0|3,0,0]=4 3397 B10R0.71 O=CCCCCNCCCCl 66911fa23f4f0d1c07b1a30acbc0c86e [0,1,0,0,0,0|2,0,1]=4 3398 B10R0.71 O=CCCCCNCCCO 7d2ca72bf8bb26fa78069088f8a3b039 [0,1,0,0,0,0|2,0,1]=4 3399 B10R0.71 O=CCCCCOCCC=O f086a1c6e7343671e409ad844728febd [0,1,0,0,0,0|1,0,2]=4 3400 B10R0.71 O=CCCCCOCCCF bf25fb5f7b3fbecdce38c9cebf982cae [0,1,0,0,0,0|1,0,1]=3 3401 B10R0.71 O=CCCCCOCCCS f9b289c1addeb43020e2e407709becde [0,1,0,0,0,0|1,0,1]=3 3402 B10R0.71 O=CCCCNCCCCCl 01c07df0d04c5aa249d48ab88b16983b [0,1,0,0,0,0|2,0,1]=4 3403 B10R0.71 O=CCCCNCCCCO 07eb4dce5dd254d016caf3b4b0f853f3 [0,1,0,0,0,0|2,0,1]=4 3404 B10R0.71 O=CCCCNCCCCS 84ee6a41eb689af19538015c112b5fe9 [0,1,0,0,0,0|2,0,1]=4 3405 B10R0.71 O=CCCCOCCCC=O cb5c2aaa83aa62551625ab31eca13d6d [0,1,0,0,0,0|1,0,2]=4 3406 B10R0.71 O=CCCCOCCCCF 0ae42a4b5606397824b501f68d89475f [0,1,0,0,0,0|1,0,1]=3 3407 B10R0.71 O=CCCCOCCCCS 702c1d77a7590794fcf27cd7245f71c0 [0,1,0,0,0,0|1,0,1]=3 3408 B10R0.71 O=CCCNCCCCCCl 8c6536c28989c474ae6d35672a043025 [0,1,0,0,0,0|2,0,1]=4 3409 B10R0.71 O=CCCNCCCCCO e97db855c638d6ab4c487d701aef387d [0,1,0,0,0,0|2,0,1]=4 3410 B10R0.71 O=CCCOCCCCCF a2a70aef945b02fd2ca057b1ab953c12 [0,1,0,0,0,0|1,0,1]=3 3411 B10R0.71 O=CCCOCCOCCF 52f52ca14fa044d591f21417a716c8d5 [0,1,0,0,0,0|2,0,1]=4 3412 B10R0.71 O=CCCOCCOCCS 413af0d5d728c22cc2ffebe2fbad30c0 [0,1,0,0,0,0|2,0,1]=4 3413 B10R0.71 O=CCNCCOCCCO a16752a7bc3427e246dce63d06a06bda [0,1,0,0,0,0|2,0,1]=4 3414 B10R0.71 O=CCOCCOCCCF 5bff8fedf9eb90c187cbd80fbc727665 [0,1,0,0,0,0|2,0,1]=4 3415 B10R0.71 O=CCOCCOCCCS 66557e1b14fc2c65d93ab2088fef5614 [0,1,0,0,0,0|2,0,1]=4 3416 B10R0.71 O=CNCCCOCCCO 09b4a54f3f222e5325faff177ef32d8a [0,1,0,0,0,0|2,0,1]=4 3417 B10R0.71 O=CNCCOCCCCF 7db000c09757df7662435df644771dae [0,1,0,0,0,0|2,0,1]=4 3418 B10R0.71 O=COCCOCCCCF daeb7ee7bc00c358a2f6948658a1fb5d [0,1,0,0,0,0|2,0,1]=4 3419 B10R0.71 OCCCCCCCNCF 89e09816a55bae9b6b856648bab51c48 [0,1,0,0,0,0|3,0,0]=4 3420 B10R0.71 OCCCCCCCNCO 80fccc105e20af1e1af9a49c91f16cd0 [0,1,0,0,0,0|3,0,0]=4 3421 B10R0.71 OCCCCCCNCCBr 553fecb754e159e2bd5c0d5b2932c876 [0,1,0,0,0,0|3,0,0]=4 3422 B10R0.71 OCCCCCCNCCF 1b169bdfb80ba61c6714c95c8b3d6768 [0,1,0,0,0,0|3,0,0]=4 3423 B10R0.71 OCCCCCCNCCI be84ca9424a4ae6dece3ab323db6b0c1 [0,1,0,0,0,0|3,0,0]=4 3424 B10R0.71 OCCCCCCNCCO 273922bfa3fe4a4663e43f7e307f9ceb [0,1,0,0,0,0|3,0,0]=4 3425 B10R0.71 OCCCCCCNCCS 93e1cd94d9ee12dd07b8e4136f52d11f [0,1,0,0,0,0|3,0,0]=4 3426 B10R0.71 OCCCCCNCCCCl a66c64e785b6ff44ef42d7160e14c2a5 [0,1,0,0,0,0|2,0,0]=3 3427 B10R0.71 OCCCCCNCCCF 50b3a9c0d03a8801f4e3adb3a3fcccb2 [0,1,0,0,0,0|2,0,0]=3 3428 B10R0.71 OCCCCCNCCCO 072a5f4ea609bc4de4e53ba65e8ed45e [0,1,0,0,0,0|2,0,0]=3 3429 B10R0.71 OCCCCCNCCCS ac447f37d9369f6412bbe09cfcfad84a [0,1,0,0,0,0|2,0,0]=3 3430 B10R0.71 OCCCCNCCCCCl 7bd505d159c87c5f4f67443650980998 [0,1,0,0,0,0|2,0,0]=3 3431 B10R0.71 OCCCCNCCCCF f5b849efef169df539bb8cf3c5e3f705 [0,1,0,0,0,0|2,0,0]=3 3432 B10R0.71 OCCCCNCCCCO 54c7baa1496a0472a98a5aa5b31fc6d8 [0,1,0,0,0,0|2,0,0]=3 3433 B10R0.71 OCCCCNCCCCS 3aa32fca5ab0eb9e1356e36b637eed09 [0,1,0,0,0,0|2,0,0]=3 3434 B10R0.71 OCCCNCCCCCCl d945c080f090736cd2679661c70ad929 [0,1,0,0,0,0|2,0,0]=3 3435 B10R0.71 OCCCNCCCCCF 0160daefb48a996acb910c63c049dc11 [0,1,0,0,0,0|2,0,0]=3 3436 B10R0.71 OCCCNCCOCCO a4c7bde023d4bc44ce67dbade30b1f89 [0,1,0,0,0,0|3,0,0]=4 3437 B10R0.71 OCCCNCCOCCS 38e0ad8816d33bf5a4fec937a219a715 [0,1,0,0,0,0|3,0,0]=4 3438 B10R0.71 OCCCNCCSCCO e457035e3b72f737fec8d3f96a323ff5 [0,1,0,0,0,0|3,0,0]=4 3439 B10R0.71 OCCCOCCCNCF ce54b0aac20eea8acc163b80b0d3fad9 [0,1,0,0,0,0|2,0,0]=3 3440 B10R0.71 OCCCOCCCNCO faa15dc3f2149e0df94a7022b21fce7c [0,1,0,0,0,0|2,0,0]=3 3441 B10R0.71 OCCCOCCNCCF 706d515fcec25c2d9afd49a011649c9a [0,1,0,0,0,0|2,0,0]=3 3442 B10R0.71 OCCCOCCNCCO 2b24eb05430bd2aa62676d15f33651f4 [0,1,0,0,0,0|2,0,0]=3 3443 B10R0.71 OCCCOCCNCCS a9045ffc61a1b86dbf9a14b3b91ae80a [0,1,0,0,0,0|2,0,0]=3 3444 B10R0.71 OCCNCCCCCCCl 79b9a5a7709c9484ebb57666642b4ad2 [0,1,0,0,0,0|3,0,0]=4 3445 B10R0.71 OCCNCCCCCCF 2d1a46b71da8cc78f8a4b65137161bb5 [0,1,0,0,0,0|3,0,0]=4 3446 B10R0.71 OCCOCCNCCCCl 58813dcc997ae722373a67e3a428ce7d [0,1,0,0,0,0|3,0,0]=4 3447 B10R0.71 OCCOCCNCCCF 75afb9bce14dab125c73cdb75f1f1da0 [0,1,0,0,0,0|3,0,0]=4 3448 B10R0.71 OCCOCCNCCCS 600ebd555a783318206060b5e6cb8069 [0,1,0,0,0,0|3,0,0]=4 3449 B10R0.71 OCCSCCNCCCF 9c9a8ef35002faf51801dac255d43713 [0,1,0,0,0,0|3,0,0]=4 3450 B10R0.71 OCCSCCNCCCS d044e9eb6638d363def32e9cc741ed01 [0,1,0,0,0,0|3,0,0]=4 3451 B10R0.71 SCCCCCCOCCS e394aec0ef6f50093283664965a38be0 [0,1,0,0,0,0|3,0,0]=4 3452 B10R0.71 SCCCNCCCCCCl 3551ad47e9e9b302a06f463e6fd64dc6 [0,1,0,0,0,0|2,0,0]=3 3453 B10R0.71 SCCCNCCOCCS 6f63a42cf255aed0ba45090096ad338d [0,1,0,0,0,0|3,0,0]=4 3454 B10R0.71 SCCCOCCOCCS 3bd554c139b9e9efd5261b91792f756c [0,1,0,0,0,0|2,0,0]=3 3455 B10R0.71 SCCNCCCCCCCl 7c74e964d4bf705de320731c90924545 [0,1,0,0,0,0|3,0,0]=4 3456 B10R0.74 C#CC(C)NCOCCCC 738fd8a9a6b2be34fc0a027919aa47a6 [0,1,0,0,0,0|1,0,2]=4 3457 B10R0.74 C#CC(C)OCOCCCC 4e42dc7f42d3b9ea0364f24edf935fee [0,1,0,0,0,0|1,0,2]=4 3458 B10R0.74 C#CCCCNCC(C)CC 9f7c233ea440b924d273d9a2069b06c9 [0,1,0,0,0,0|1,0,2]=4 3459 B10R0.74 C#CCCCNCC(O)CC b0380f3ec9caba42389199588bc62958 [0,1,0,0,0,0|1,0,2]=4 3460 B10R0.74 C#CCCCNC[C@@H](C)CC 2223d396ce85c60b5837496637cc875b [0,1,0,0,0,0|1,0,2]=4 3461 B10R0.74 C#CCCCNC[C@H](C)CC 0a3844248c65f986c2083d3783620481 [0,1,0,0,0,0|1,0,2]=4 3462 B10R0.74 C#CCCCNC[C@H](O)CC d5eb4ff65b8e9a72addfff25c4a69728 [0,1,0,0,0,0|1,0,2]=4 3463 B10R0.74 C#CCCCOCC(=C)CC 3ece99a796ee5393f039514ea2bd058b [0,1,0,0,0,0|0,0,3]=4 3464 B10R0.74 C#CCCCOCC(=O)CC bbea8c92d762992155ecceae08b257c8 [0,1,0,0,0,0|0,0,3]=4 3465 B10R0.74 C#CCCCOCC(Br)CBr ff21b260dbfa6f338e453b99b8fd98f6 [0,1,0,0,0,0|1,0,2]=4 3466 B10R0.74 C#CCCCOCC(C)CC ae287eec74aab1ae2af2c6825389fded [0,1,0,0,0,0|0,0,2]=3 3467 B10R0.74 C#CCCCOCC(C)OC 9f597c496b407ded47e8a650f6d18dbb [0,1,0,0,0,0|1,0,2]=4 3468 B10R0.74 C#CCCCOCC(Cl)CCl d651039efedad4b8ee495df2a1b140bc [0,1,0,0,0,0|1,0,2]=4 3469 B10R0.74 C#CCCCOCC(O)CO 9446e78c8b699e47da47fa58406a761e [0,1,0,0,0,0|1,0,2]=4 3470 B10R0.74 C#CCCCOCC(S)CS ca58f884c466c1a313b77b0a8098a557 [0,1,0,0,0,0|1,0,2]=4 3471 B10R0.74 C#CCCCOC[C@@H](C)CC fda274829eb609fb1714e2e5117aba3f [0,1,0,0,0,0|0,0,2]=3 3472 B10R0.74 C#CCCCOC[C@@H](C)OC 9bd1aa2e60e138ca4c08aca4033c1d2a [0,1,0,0,0,0|1,0,2]=4 3473 B10R0.74 C#CCCCOC[C@@H](O)CO bf06476990d81847b0e7104e7ae99728 [0,1,0,0,0,0|1,0,2]=4 3474 B10R0.74 C#CCCCOC[C@H](C)CC f827ea52cc42d484dcc6853d8d316fcd [0,1,0,0,0,0|0,0,2]=3 3475 B10R0.74 C#CCCCOC[C@H](C)OC 591b4b5d3737e2e800636e328a3b50ed [0,1,0,0,0,0|1,0,2]=4 3476 B10R0.74 C#CCCCOC[C@H](O)CO 4f4d18e04d5363e76b0272a0ae206717 [0,1,0,0,0,0|1,0,2]=4 3477 B10R0.74 C#CCCNCCC(C)CC 56f64f75b3560975e99103c2cdb73872 [0,1,0,0,0,0|1,0,2]=4 3478 B10R0.74 C#CCCOCCC(C)CC 6289af6f550476d6e016faba8fefcdd6 [0,1,0,0,0,0|0,0,2]=3 3479 B10R0.74 C#CCCOCCC(C)OC b4c7abe157f42db3bd2f874c3a50666e [0,1,0,0,0,0|1,0,2]=4 3480 B10R0.74 C#CCCOCCC(S)CC a17b9c3c24f2658fd8436d3cafe43055 [0,1,0,0,0,0|0,0,2]=3 3481 B10R0.74 C#CCCOCCS(=O)CC 49dd47b5a633ee05982595657de355ec [0,1,0,0,0,0|1,0,2]=4 3482 B10R0.74 C#CCCOCC[C@@H](C)CC 351b5f5872eaf0480437d7e17d8e8171 [0,1,0,0,0,0|0,0,2]=3 3483 B10R0.74 C#C[C@@H](C)NCOCCCC 22b1467575bff578b746ff3155380559 [0,1,0,0,0,0|1,0,2]=4 3484 B10R0.74 C#C[C@@H](C)OCOCCCC 53f45baa09bbe12130aefe17ba3b9ecc [0,1,0,0,0,0|1,0,2]=4 3485 B10R0.74 C#C[C@H](C)NCOCCCC c3f841327f66d047bfc2bcef3f67afdc [0,1,0,0,0,0|1,0,2]=4 3486 B10R0.74 C#C[C@H](C)OCOCCCC 4edca13a77f76123bbc31ba2b7bbeaa5 [0,1,0,0,0,0|1,0,2]=4 3487 B10R0.74 C/C=C/CCOCC(=O)CC 8c79c1c90872025a7d71cccef0eccab4 [0,1,0,0,0,0|0,0,3]=4 3488 B10R0.74 C/C=C/CCOCC(C)CC 0f1888c7befb7d1d8e679827d2358d17 [0,1,0,0,0,0|0,0,2]=3 3489 B10R0.74 C/C=C/CCOCC(C)OC a02c779f906fb4f135977d0d8a6306ed [0,1,0,0,0,0|1,0,2]=4 3490 B10R0.74 C/C=C/CCOCC(O)CO be2c4506271f3e0fbc6b5636f6f6dce7 [0,1,0,0,0,0|1,0,2]=4 3491 B10R0.74 C/C=C/CCOC[C@@H](C)CC 399487ac5d1d730106124f10cdc3bdc0 [0,1,0,0,0,0|0,0,2]=3 3492 B10R0.74 C/C=C/CCOC[C@@H](C)OC c56054a48bf12e74523512e7b74e250c [0,1,0,0,0,0|1,0,2]=4 3493 B10R0.74 C/C=C/CCOC[C@@H](O)CO eb650e815ec5b4333dab3a36da69dd86 [0,1,0,0,0,0|1,0,2]=4 3494 B10R0.74 C/C=C/CCOC[C@H](C)CC cdc64b32b7077bb4a7c485730582a2cc [0,1,0,0,0,0|0,0,2]=3 3495 B10R0.74 C/C=C/CCOC[C@H](C)OC 955075b57f8ee7f4a6459fe98d5f5396 [0,1,0,0,0,0|1,0,2]=4 3496 B10R0.74 C/C=C/CCOC[C@H](O)CO 577c2bcd98db4765f5a7b6356c12ada9 [0,1,0,0,0,0|1,0,2]=4 3497 B10R0.74 C/C=C/CNCCC(C)CC 6cc01580f340320bac120d134598025c [0,1,0,0,0,0|1,0,2]=4 3498 B10R0.74 C/C=C/COCCC(C)CC 737263755e3822c658b34ead14a8591d [0,1,0,0,0,0|0,0,2]=3 3499 B10R0.74 C/C=C/COCCC(C)OC 28a4c4366b0d39ef7303a7a024886de7 [0,1,0,0,0,0|1,0,2]=4 3500 B10R0.74 C/C=C/COCCC(S)CC 8a05449dc4da39a5eb134ed0be832f16 [0,1,0,0,0,0|0,0,2]=3 3501 B10R0.74 C/C=C/COCCS(=O)CC 98d6c58e62f6393e4374b3990d94235a [0,1,0,0,0,0|1,0,2]=4 3502 B10R0.74 C/C=C/COCC[C@@H](C)CC d5a520b982993a87525c669b541f4c49 [0,1,0,0,0,0|0,0,2]=3 3503 B10R0.74 C/C=C\CNCCC(C)CC 5c5c1d6dc793427e2ee2da8c1d7d5b38 [0,1,0,0,0,0|1,0,2]=4 3504 B10R0.74 C/C=C\COCCC(C)CC c7bcce0265e9d3d33b9c5f6bca62c7c4 [0,1,0,0,0,0|0,0,2]=3 3505 B10R0.74 C/C=C\COCCC(C)OC e9af790aa305587061395aa1002c420e [0,1,0,0,0,0|1,0,2]=4 3506 B10R0.74 C/C=C\COCCC(S)CC 8d121854c410b41ac14b3ea7643ca6c9 [0,1,0,0,0,0|0,0,2]=3 3507 B10R0.74 C/C=C\COCCS(=O)CC 769b22cecf0945560eb94c7ad8ca1614 [0,1,0,0,0,0|1,0,2]=4 3508 B10R0.74 C/C=C\COCC[C@@H](C)CC a24c60b43cb384b75aa38d56e5291d22 [0,1,0,0,0,0|0,0,2]=3 3509 B10R0.74 C=C(C#N)COCCCCC c060fe0ed714e19839f540409e1ccdcb [0,1,0,0,0,0|1,0,2]=4 3510 B10R0.74 C=C(CC)CNCCCCC 8ea0f8842832f35f75f80e057ba25f3c [0,1,0,0,0,0|1,0,1]=3 3511 B10R0.74 C=C(CC)CNCCCCCl 0bbdfaafe2d00bfca1def8995318b1d0 [0,1,0,0,0,0|2,0,1]=4 3512 B10R0.74 C=C(CC)CNCCCCO 115dc04ff66cb402e13c6336ff0d4066 [0,1,0,0,0,0|2,0,1]=4 3513 B10R0.74 C=C(CC)CNCCCCS c11b2d8147dcd924fe067b60d9ab7e56 [0,1,0,0,0,0|2,0,1]=4 3514 B10R0.74 C=C(CC)CNCCCOC fcfd489278cb75eb44d564c6313f99c6 [0,1,0,0,0,0|2,0,1]=4 3515 B10R0.74 C=C(CC)CNCCCSC ca6b1bbd5768690b8d027c50511877b3 [0,1,0,0,0,0|2,0,1]=4 3516 B10R0.74 C=C(CC)CNCCOCC da6f4cee06ed9af0be3a468e0c6de704 [0,1,0,0,0,0|2,0,1]=4 3517 B10R0.74 C=C(CC)CNCCSCC e416a49b07e263c714387606db3054d5 [0,1,0,0,0,0|2,0,1]=4 3518 B10R0.74 C=C(CC)COC/C=C/CC 03d8ab80e9f13fad0cc493c078800673 [0,1,0,0,0,0|0,0,3]=4 3519 B10R0.74 C=C(CC)COC/C=C\CC ed33ac598dd56362b1bc14da7c02baa7 [0,1,0,0,0,0|0,0,3]=4 3520 B10R0.74 C=C(CC)COCC#CCC dc601bfbce4887046284c9a7097f208e [0,1,0,0,0,0|0,0,3]=4 3521 B10R0.74 C=C(CC)COCC/C=C/C c68316f5a12df4e4dce6a0e0fd63232a [0,1,0,0,0,0|0,0,3]=4 3522 B10R0.74 C=C(CC)COCCC#CC 265b50d476179f2c0ebb96e53e861ce2 [0,1,0,0,0,0|0,0,3]=4 3523 B10R0.74 C=C(CC)COCCCC#N fbb1c75e0d3f54022fa55a9dddcd505d [0,1,0,0,0,0|1,0,2]=4 3524 B10R0.74 C=C(CC)COCCCC=O 29c83ec41773489b1f6b6ecfd724dc5a [0,1,0,0,0,0|1,0,2]=4 3525 B10R0.74 C=C(CC)COCCCCC 75a076fa5d2b53a201e5a9dd953cf8d1 [0,1,0,0,0,0|0,0,1]=2 3526 B10R0.74 C=C(CC)COCCCCF 887d2a3fe416bfc9189398effac95af2 [0,1,0,0,0,0|1,0,1]=3 3527 B10R0.74 C=C(CC)COCCCCS 864422d250feb349afcd247a2bac3847 [0,1,0,0,0,0|1,0,1]=3 3528 B10R0.74 C=C(CC)COCCCOC 9a070e58bd1cf63e8ee9ede749ca1b59 [0,1,0,0,0,0|1,0,1]=3 3529 B10R0.74 C=C(CC)COCCCSC c759326f6ad9f7c9749a1697d111aeb0 [0,1,0,0,0,0|1,0,1]=3 3530 B10R0.74 C=C(CC)COCCOCC dd900919e962e4ef04defe5044860abd [0,1,0,0,0,0|1,0,1]=3 3531 B10R0.74 C=C(CC)COCCSCC 6299cb301a02e18b6f0d0c14f694a070 [0,1,0,0,0,0|1,0,1]=3 3532 B10R0.74 C=C(CNCCCCC)OC 7ceed52b8862c2740fad9864ee680023 [0,1,0,0,0,0|2,0,1]=4 3533 B10R0.74 C=C(CO)CNCCCCC 47cc22d1e0bb02b8d80aa229030b73ad [0,1,0,0,0,0|2,0,1]=4 3534 B10R0.74 C=C(COCCCCC)OC 1bd3146a306a9b176c071f317d4b189d [0,1,0,0,0,0|1,0,1]=3 3535 B10R0.74 C=C(COCCCCF)OC 9720fa56fbe1db00b6c9cee649a6b455 [0,1,0,0,0,0|2,0,1]=4 3536 B10R0.74 C=C(COCCCCS)OC d5f49692e3e2c3c7722899285520cf16 [0,1,0,0,0,0|2,0,1]=4 3537 B10R0.74 C=C(COCCCOC)OC 597a24aaedbe861c2a0015ff43383664 [0,1,0,0,0,0|2,0,1]=4 3538 B10R0.74 C=C(COCCCSC)OC 7ee113f30e6cfdeb6638af657701c00a [0,1,0,0,0,0|2,0,1]=4 3539 B10R0.74 C=C(COCCOCC)OC 3413996f41eb592370b1582878b672ef [0,1,0,0,0,0|2,0,1]=4 3540 B10R0.74 C=C(COCCSCC)OC db7457c27896d184d710335b227c3daf [0,1,0,0,0,0|2,0,1]=4 3541 B10R0.74 C=C=CCCOCC(C)CC ea1f5e043b7910bb0f7a456b8c77b45c [0,1,0,0,0,0|0,0,3]=4 3542 B10R0.74 C=C=CCCOC[C@@H](C)CC 6d713a383cf42daba285bb043636a800 [0,1,0,0,0,0|0,0,3]=4 3543 B10R0.74 C=C=CCCOC[C@H](C)CC aedd453509dc58245fe5f7679031344b [0,1,0,0,0,0|0,0,3]=4 3544 B10R0.74 C=CC(C)COCCCCC 7ddcec3629bc4441bda3d9bbf9593506 [0,1,0,0,0,0|0,0,2]=3 3545 B10R0.74 C=CC(C)COCCCCF 5c476a0a0d003a0f75f4948587f2e494 [0,1,0,0,0,0|1,0,2]=4 3546 B10R0.74 C=CC(C)COCCCOC 98bc756cd0ddaac858719563720e050c [0,1,0,0,0,0|1,0,2]=4 3547 B10R0.74 C=CC(C)COCCCSC 4c78b07e70601bd8079c5984c023d7e0 [0,1,0,0,0,0|1,0,2]=4 3548 B10R0.74 C=CC(C)COCCOCC 1ae56cfdd624cf8e8809e93c9fe9177b [0,1,0,0,0,0|1,0,2]=4 3549 B10R0.74 C=CC(C)COCCSCC b408cc6c5ebc422066061e8c9a216c8a [0,1,0,0,0,0|1,0,2]=4 3550 B10R0.74 C=CC(C)NCOCCCC 704b09001420e0b4d537ec884f90067e [0,1,0,0,0,0|1,0,2]=4 3551 B10R0.74 C=CC(C)OCOCCCC 8085d3cd28c60b7b164e8b45ed8f0d7a [0,1,0,0,0,0|1,0,2]=4 3552 B10R0.74 C=CC(O)CNCCCCC 5dc8e3acef25251d027aa047b7f73859 [0,1,0,0,0,0|1,0,2]=4 3553 B10R0.74 C=CCCCNCC(C)CC ee6337b4f115ad6bcf648a02e9837658 [0,1,0,0,0,0|1,0,2]=4 3554 B10R0.74 C=CCCCNCC(O)CC 1cff81538e4bd32378dd531821c12806 [0,1,0,0,0,0|1,0,2]=4 3555 B10R0.74 C=CCCCNC[C@@H](C)CC f29eba4f1d2eac02085ed9b23984e418 [0,1,0,0,0,0|1,0,2]=4 3556 B10R0.74 C=CCCCNC[C@H](C)CC d80bef9b40cd293a23bbc3d0e1cbaa4c [0,1,0,0,0,0|1,0,2]=4 3557 B10R0.74 C=CCCCNC[C@H](O)CC 2db3ad0e8ff1d6659ee85a71cc1e4bda [0,1,0,0,0,0|1,0,2]=4 3558 B10R0.74 C=CCCCOCC(=C)CC 90edaf88c7c04a18163ab06430b5fe78 [0,1,0,0,0,0|0,0,3]=4 3559 B10R0.74 C=CCCCOCC(=O)CC a1652607e7e254f76e7847ab24bba9e4 [0,1,0,0,0,0|0,0,3]=4 3560 B10R0.74 C=CCCCOCC(Br)CBr f93887f1d84f3263b4f5d1a7cda4b6eb [0,1,0,0,0,0|1,0,2]=4 3561 B10R0.74 C=CCCCOCC(C)CC a052b3d3714b26d94b5cdcdf72768883 [0,1,0,0,0,0|0,0,2]=3 3562 B10R0.74 C=CCCCOCC(C)OC 84166af93ab0f73bdcb2e82b3b9a4fe9 [0,1,0,0,0,0|1,0,2]=4 3563 B10R0.74 C=CCCCOCC(Cl)CCl ffd1dfcf278f4f9c95b306af9751d97c [0,1,0,0,0,0|1,0,2]=4 3564 B10R0.74 C=CCCCOCC(O)CO d3ee5d1849cc9e2a638961d87b2ef4f8 [0,1,0,0,0,0|1,0,2]=4 3565 B10R0.74 C=CCCCOCC(S)CS cefde3ec3036342fa937d87a4b10c391 [0,1,0,0,0,0|1,0,2]=4 3566 B10R0.74 C=CCCCOC[C@@H](C)CC 2ced72cfb284621ce946b04a8512f974 [0,1,0,0,0,0|0,0,2]=3 3567 B10R0.74 C=CCCCOC[C@@H](C)OC ebbcb991a1d2da901828f35094cfd4fa [0,1,0,0,0,0|1,0,2]=4 3568 B10R0.74 C=CCCCOC[C@@H](O)CO 7d0f63ffeb58dd5e8152b9f0b1656952 [0,1,0,0,0,0|1,0,2]=4 3569 B10R0.74 C=CCCCOC[C@H](C)CC 43047cdbd42bfdad05e605efd4649627 [0,1,0,0,0,0|0,0,2]=3 3570 B10R0.74 C=CCCCOC[C@H](C)OC 1777b38ff359c5f5a2c5a0315946887a [0,1,0,0,0,0|1,0,2]=4 3571 B10R0.74 C=CCCCOC[C@H](O)CO 8146f9b0f86790df5d462cdd3e8336ab [0,1,0,0,0,0|1,0,2]=4 3572 B10R0.74 C=CCCNCCC(C)CC cf3158dd73bf63a8fee7f88130824128 [0,1,0,0,0,0|1,0,2]=4 3573 B10R0.74 C=CCCOCCC(C)CC c1392a5748d84df330cdd9bad9137402 [0,1,0,0,0,0|0,0,2]=3 3574 B10R0.74 C=CCCOCCC(C)OC 680cb228da81bc40cbdb8a056fcdcbc0 [0,1,0,0,0,0|1,0,2]=4 3575 B10R0.74 C=CCCOCCC(S)CC 1fcdfa0eb29dee1b4c837b064c7e8ac9 [0,1,0,0,0,0|0,0,2]=3 3576 B10R0.74 C=CCCOCCS(=O)CC 2a38c75c3ef3e941beaffbfab97ced0b [0,1,0,0,0,0|1,0,2]=4 3577 B10R0.74 C=CCCOCC[C@@H](C)CC e78c1b367a50b2f82f5ddfc3eb053b88 [0,1,0,0,0,0|0,0,2]=3 3578 B10R0.74 C=COCCOCC(C)CC 23037fc3c7340a6775b56b6b8eed69bd [0,1,0,0,0,0|1,0,2]=4 3579 B10R0.74 C=COCCOC[C@@H](C)CC 28b95e1e8d7b3f2283428beaa8ab1e25 [0,1,0,0,0,0|1,0,2]=4 3580 B10R0.74 C=COCCOC[C@H](C)CC ce01571f20ae5402f8d69a0fe7acdc4d [0,1,0,0,0,0|1,0,2]=4 3581 B10R0.74 C=C[C@H](C)OCOCCCC 4e55cca418ceb6b828a1a4fe5d5f3ad3 [0,1,0,0,0,0|1,0,2]=4 3582 B10R0.74 CC#CCCOCC(=O)CC f3a99c5a21abde1f32351d4c689209c7 [0,1,0,0,0,0|0,0,3]=4 3583 B10R0.74 CC#CCCOCC(C)CC 814013bc51ff4b3d10949753e49d5874 [0,1,0,0,0,0|0,0,2]=3 3584 B10R0.74 CC#CCCOCC(C)OC 2d638152ee78d30e65c4bd66da8a6e3d [0,1,0,0,0,0|1,0,2]=4 3585 B10R0.74 CC#CCCOCC(O)CO e18a445d40f169c6f7e5fe4e28ae7cc0 [0,1,0,0,0,0|1,0,2]=4 3586 B10R0.74 CC#CCCOC[C@@H](C)CC 6077a52c969e9819465add266890b4f3 [0,1,0,0,0,0|0,0,2]=3 3587 B10R0.74 CC#CCCOC[C@@H](C)OC 5977b0d3d00f763472f6e6e4437f4412 [0,1,0,0,0,0|1,0,2]=4 3588 B10R0.74 CC#CCCOC[C@@H](O)CO dcf3a8a3e95b9641a086dd8e41335bc0 [0,1,0,0,0,0|1,0,2]=4 3589 B10R0.74 CC#CCCOC[C@H](C)CC f41e4757e989f14d9e2f8b18c49342c2 [0,1,0,0,0,0|0,0,2]=3 3590 B10R0.74 CC#CCCOC[C@H](C)OC 66cd295ffcc6133e6a5621326d068a1a [0,1,0,0,0,0|1,0,2]=4 3591 B10R0.74 CC#CCCOC[C@H](O)CO 6667c5b503819fae49ce1b76686b8b49 [0,1,0,0,0,0|1,0,2]=4 3592 B10R0.74 CC#CCNCCC(C)CC 51c715f69be1e2680243dc9074f0ccee [0,1,0,0,0,0|1,0,2]=4 3593 B10R0.74 CC#CCOCCC(C)CC 349aa2fc542c220bb0d4d05b9cbcdef0 [0,1,0,0,0,0|0,0,2]=3 3594 B10R0.74 CC#CCOCCC(S)CC 0ebdf81ac53de1820c3fb0e7b647fa6e [0,1,0,0,0,0|0,0,2]=3 3595 B10R0.74 CC#CCOCCS(=O)CC fa9f9f53868dd1238d7c55a8d143c8ae [0,1,0,0,0,0|1,0,2]=4 3596 B10R0.74 CC(C#N)COCCCCF b2bb63819fc2e49e48b0e05b3ff2a2ed [0,1,0,0,0,0|2,0,1]=4 3597 B10R0.74 CC(C#N)COCCCCS d83287ed92d3bf22c751a58ec24bf290 [0,1,0,0,0,0|2,0,1]=4 3598 B10R0.74 CC(CO)CCNCCCCl fa1d51168de54d44014d2897ec6dea07 [0,1,0,0,0,0|3,0,0]=4 3599 B10R0.74 CC(CO)CCNCCCF d5c49bf643441396360329e8c08b7f60 [0,1,0,0,0,0|3,0,0]=4 3600 B10R0.74 CC(CO)CCNCCCO 08d55cac326cd89bd30893f402690fc2 [0,1,0,0,0,0|3,0,0]=4 3601 B10R0.74 CC(CO)CCNCCCS 034b8e90588d62247b13a3c1e6cee3fc [0,1,0,0,0,0|3,0,0]=4 3602 B10R0.74 CC(CO)CNCCCCCl 826651a928fe70edca9e43e56dfbdfc4 [0,1,0,0,0,0|3,0,0]=4 3603 B10R0.74 CC(CO)CNCCCCF e9729181a584a16a3300868c7fe16cea [0,1,0,0,0,0|3,0,0]=4 3604 B10R0.74 CC(CO)CNCCCCO cbb8c05eaf06f2fbe85ca27aee08ee3a [0,1,0,0,0,0|3,0,0]=4 3605 B10R0.74 CC(CO)CNCCCCS 0d383ddcfa91071854a9f8f7579313e3 [0,1,0,0,0,0|3,0,0]=4 3606 B10R0.74 CC/C=C/CNCC(C)CC 6b6a23eefa0d18231d009475d6de5ddf [0,1,0,0,0,0|1,0,2]=4 3607 B10R0.74 CC/C=C/CNCC(O)CC b0c72780cfa10b482871646d0b1370d9 [0,1,0,0,0,0|1,0,2]=4 3608 B10R0.74 CC/C=C/CNC[C@@H](C)CC 7c096b73793e8d248419bd48e33a2003 [0,1,0,0,0,0|1,0,2]=4 3609 B10R0.74 CC/C=C/CNC[C@H](O)CC 6b1ef6d0b27d400ba9f14d3147c34a8e [0,1,0,0,0,0|1,0,2]=4 3610 B10R0.74 CC/C=C/COCC(=O)CC a01b136a5ca1f88d863986a7bbd53488 [0,1,0,0,0,0|0,0,3]=4 3611 B10R0.74 CC/C=C/COCC(Br)CBr 0519c895e6f7244e2e3f82316bea909a [0,1,0,0,0,0|1,0,2]=4 3612 B10R0.74 CC/C=C/COCC(C)CC 6339daab4c11faad56650d88ece24a5a [0,1,0,0,0,0|0,0,2]=3 3613 B10R0.74 CC/C=C/COCC(C)OC af15b66196bea0c28a768639f58f5e66 [0,1,0,0,0,0|1,0,2]=4 3614 B10R0.74 CC/C=C/COCC(Cl)CCl 00576b7e7fa37d3c96a5fceb08c7e9ab [0,1,0,0,0,0|1,0,2]=4 3615 B10R0.74 CC/C=C/COCC(O)CO afe408a5034d473dd77df95887991c72 [0,1,0,0,0,0|1,0,2]=4 3616 B10R0.74 CC/C=C/COCC(S)CS c4dd4d265c094b401cc096ff34bb6335 [0,1,0,0,0,0|1,0,2]=4 3617 B10R0.74 CC/C=C/COC[C@@H](C)CC 319cfdd00b4c3a5b1dc50662ea001854 [0,1,0,0,0,0|0,0,2]=3 3618 B10R0.74 CC/C=C/COC[C@@H](C)OC 94266d4676be884c10029b444ece9f0f [0,1,0,0,0,0|1,0,2]=4 3619 B10R0.74 CC/C=C/COC[C@@H](O)CO 33ddd5c27a5bba0b29a62398bacb871d [0,1,0,0,0,0|1,0,2]=4 3620 B10R0.74 CC/C=C/COC[C@H](C)CC dfa4cdcc60c7e6aa866225416b36a507 [0,1,0,0,0,0|0,0,2]=3 3621 B10R0.74 CC/C=C/COC[C@H](C)OC 8da26560028c43612d51e8828277a0ec [0,1,0,0,0,0|1,0,2]=4 3622 B10R0.74 CC/C=C/COC[C@H](O)CO 3b35f79e8a79fef7fdca8ed9fbfbe6c4 [0,1,0,0,0,0|1,0,2]=4 3623 B10R0.74 CC/C=C\COCC(=O)CC 1dc130138fd1a08506cef35fcfe2aa39 [0,1,0,0,0,0|0,0,3]=4 3624 B10R0.74 CC/C=C\COCC(C)CC 28255c34d4eb765a1a1db7e93bbf6867 [0,1,0,0,0,0|0,0,2]=3 3625 B10R0.74 CC/C=C\COCC(C)OC 8880df3e45648673dd84ebcfcb1018b7 [0,1,0,0,0,0|1,0,2]=4 3626 B10R0.74 CC/C=C\COCC(O)CO f87f6b11dc892c127048b66737a0f16e [0,1,0,0,0,0|1,0,2]=4 3627 B10R0.74 CC/C=C\COC[C@@H](C)CC c0efcbbd2af2745e315aa67854db57bf [0,1,0,0,0,0|0,0,2]=3 3628 B10R0.74 CC/C=C\COC[C@@H](C)OC db1a4fc861c651f8140c7f8172e3852c [0,1,0,0,0,0|1,0,2]=4 3629 B10R0.74 CC/C=C\COC[C@@H](O)CO 96cd28ccbbef64fe32dcd69ff603c82e [0,1,0,0,0,0|1,0,2]=4 3630 B10R0.74 CC/C=C\COC[C@H](C)CC b37b7acba26ee10d2859c98ab1beccd2 [0,1,0,0,0,0|0,0,2]=3 3631 B10R0.74 CC/C=C\COC[C@H](C)OC f25799767ca46eb8935bae880a5316fb [0,1,0,0,0,0|1,0,2]=4 3632 B10R0.74 CC/C=C\COC[C@H](O)CO 2c1bf79d095ac455164a6deec6842125 [0,1,0,0,0,0|1,0,2]=4 3633 B10R0.74 CC=CCNCCC(C)CC a1f32de23b8d3fcd427378aae61b906f [0,1,0,0,0,0|1,0,2]=4 3634 B10R0.74 CC=CCOCCC(C)CC 9f892204b2a3d317b48edecc07227d95 [0,1,0,0,0,0|0,0,2]=3 3635 B10R0.74 CC=CCOCCS(=O)CC b08fdf9a6dbcbf95ec0f95c018ae6b24 [0,1,0,0,0,0|1,0,2]=4 3636 B10R0.74 CCC#CCNCC(C)CC c1e148362ddbf7e8d8f7696457b91d80 [0,1,0,0,0,0|1,0,2]=4 3637 B10R0.74 CCC#CCNCC(O)CC f1a295dce4ad1ac34884f886d8fd3ca6 [0,1,0,0,0,0|1,0,2]=4 3638 B10R0.74 CCC#CCNC[C@@H](C)CC c8847278852e0d3b5f422972acdd42c0 [0,1,0,0,0,0|1,0,2]=4 3639 B10R0.74 CCC#CCNC[C@H](O)CC 6093ec81ca7335562c151be5cf3832ce [0,1,0,0,0,0|1,0,2]=4 3640 B10R0.74 CCC#CCOCC(=O)CC 037b4937372b11ddd8a34612fa9bbda4 [0,1,0,0,0,0|0,0,3]=4 3641 B10R0.74 CCC#CCOCC(C)CC 2927992b2311253b9217c5fdad8b5f90 [0,1,0,0,0,0|0,0,2]=3 3642 B10R0.74 CCC#CCOCC(C)OC ea88dfedd02b44d466f995c35b7f5f42 [0,1,0,0,0,0|1,0,2]=4 3643 B10R0.74 CCC#CCOCC(Cl)CCl 3cd1ee2a24d34348004bdcdc56811af3 [0,1,0,0,0,0|1,0,2]=4 3644 B10R0.74 CCC#CCOCC(O)CO de3b88fc1f457fe4606918b1fcb564f2 [0,1,0,0,0,0|1,0,2]=4 3645 B10R0.74 CCC#CCOC[C@@H](C)CC c2f61b011fc0522a3a3f5a2af2c05c43 [0,1,0,0,0,0|0,0,2]=3 3646 B10R0.74 CCC#CCOC[C@@H](C)OC 169b0fd9fcd48ccba91d2d0be3f53865 [0,1,0,0,0,0|1,0,2]=4 3647 B10R0.74 CCC#CCOC[C@@H](O)CO 8dffbfdd0c2fba00812c7b195889d095 [0,1,0,0,0,0|1,0,2]=4 3648 B10R0.74 CCC#CCOC[C@H](C)CC f0dc22eac37eab6e77c504febcedf748 [0,1,0,0,0,0|0,0,2]=3 3649 B10R0.74 CCC#CCOC[C@H](C)OC 52fcb8ef4f467dab5b93ece5556edfc6 [0,1,0,0,0,0|1,0,2]=4 3650 B10R0.74 CCC#CCOC[C@H](O)CO 1b97086593043d67e30428a1c615052d [0,1,0,0,0,0|1,0,2]=4 3651 B10R0.74 CCC(=O)CNCCCCCl 58b326e56bd105b75957a3417ada4b94 [0,1,0,0,0,0|2,0,1]=4 3652 B10R0.74 CCC(=O)CNCCCCO afa336155d3d50267b56893fb4eea6a2 [0,1,0,0,0,0|2,0,1]=4 3653 B10R0.74 CCC(=O)CNCCCCS 89d3a8e0e76cf4458dea73594882c77e [0,1,0,0,0,0|2,0,1]=4 3654 B10R0.74 CCC(=O)CNCCCOC 796b52210881430f2b55b106f0eae362 [0,1,0,0,0,0|2,0,1]=4 3655 B10R0.74 CCC(=O)CNCCCSC 937029030da1b54e36436a66ae1644dc [0,1,0,0,0,0|2,0,1]=4 3656 B10R0.74 CCC(=O)COCCCC#N e696f78b3562fe69beedbada611b38c7 [0,1,0,0,0,0|1,0,2]=4 3657 B10R0.74 CCC(=O)COCCCC=O 2a1bdf1fd95fc8e13561b0ce80b31070 [0,1,0,0,0,0|1,0,2]=4 3658 B10R0.74 CCC(=O)COCCCCF 4256b82eb7b4015a55aaae3b4f33c831 [0,1,0,0,0,0|1,0,1]=3 3659 B10R0.74 CCC(=O)COCCCCS 6565f26a778339bd381373257b145382 [0,1,0,0,0,0|1,0,1]=3 3660 B10R0.74 CCC(=O)COCCCOC 1151fd7fb421340ad8cdf3f7159df49b [0,1,0,0,0,0|1,0,1]=3 3661 B10R0.74 CCC(=O)COCCCSC 1eae8353d4c4b23362968ab5d33e2b0f [0,1,0,0,0,0|1,0,1]=3 3662 B10R0.74 CCC(=O)OCOCCCF 4bdc784745e5892b79d18d7d77771a86 [0,1,0,0,0,0|2,0,1]=4 3663 B10R0.74 CCC(=O)OCOCCCS 53066e59b6649572f039e13de7b59bf7 [0,1,0,0,0,0|2,0,1]=4 3664 B10R0.74 CCC(=O)OCOCCOC 48126896527ee72db031c83f3c78ba34 [0,1,0,0,0,0|2,0,1]=4 3665 B10R0.74 CCC(=O)OCOCCSC 7579e4f5a08aefdb6810fe47748d055a [0,1,0,0,0,0|2,0,1]=4 3666 B10R0.74 CCC(C)CCCCOCF a3d09c81b39805ddf7ca6997553b912e [0,1,0,0,0,0|3,0,0]=4 3667 B10R0.74 CCC(C)CCCOCCF f375dd29a4f1451a3b9819fb54b6ce77 [0,1,0,0,0,0|3,0,0]=4 3668 B10R0.74 CCC(C)CCCOCCS 3c13472b78c68413e2d78c1a5c039ca7 [0,1,0,0,0,0|3,0,0]=4 3669 B10R0.74 CCC(C)CCCOCOC a12d9bb3b8007092c670803fef0b078d [0,1,0,0,0,0|3,0,0]=4 3670 B10R0.74 CCC(C)CCCOCSC 6e1c7bfa48af828cfb44021bcdbeea43 [0,1,0,0,0,0|3,0,0]=4 3671 B10R0.74 CCC(C)CCNCCC#N c993cc93bd660387d04c3a00244d27ad [0,1,0,0,0,0|2,0,1]=4 3672 B10R0.74 CCC(C)CCNCCC=O c9f2caf9a1d56d8f5cc47f6ed873f2ba [0,1,0,0,0,0|2,0,1]=4 3673 B10R0.74 CCC(C)CCNCCCCl dfedffd867eff55eb8fb218d03726bc5 [0,1,0,0,0,0|2,0,0]=3 3674 B10R0.74 CCC(C)CCNCCCF b373bc50ec9ad5e0fdd6162d39d723b4 [0,1,0,0,0,0|2,0,0]=3 3675 B10R0.74 CCC(C)CCNCCCO 93d6f6363f03417949d1f9141be1e405 [0,1,0,0,0,0|2,0,0]=3 3676 B10R0.74 CCC(C)CCNCCCS f232a66e435c168ead9772f64e245a85 [0,1,0,0,0,0|2,0,0]=3 3677 B10R0.74 CCC(C)CCNCCOC 81aae77a79a79d5b0af644876c91aaeb [0,1,0,0,0,0|2,0,0]=3 3678 B10R0.74 CCC(C)CCNCCON f7bbfce0695e20b5d85a62c3b24c7b77 [0,1,0,0,0,0|3,0,0]=4 3679 B10R0.74 CCC(C)CCNCCSC cec14cb58fbc8be6b6abf161674b1892 [0,1,0,0,0,0|2,0,0]=3 3680 B10R0.74 CCC(C)CCOC/C=C/Cl 0d47112823542fff699743af979d6d7f [0,1,0,0,0,0|1,0,2]=4 3681 B10R0.74 CCC(C)CCOC/C=C\Cl 107f49d9bf2d519f3229fb26e46b0218 [0,1,0,0,0,0|1,0,2]=4 3682 B10R0.74 CCC(C)CCOCC#CI 381c2fcf29868dfb947723fb7fa27c8c [0,1,0,0,0,0|1,0,2]=4 3683 B10R0.74 CCC(C)CCOCC=CCl 4d6d614d2e2fb887e583964ca80084b1 [0,1,0,0,0,0|1,0,2]=4 3684 B10R0.74 CCC(C)CCOCCC#N 8204ea2c4fbe41a54e979e3eaadb5936 [0,1,0,0,0,0|1,0,1]=3 3685 B10R0.74 CCC(C)CCOCCC=O 81209bc92b384a9240ff874960587ead [0,1,0,0,0,0|1,0,1]=3 3686 B10R0.74 CCC(C)CCOCCCF 088b5e09865e143620390774633098b7 [0,1,0,0,0,0|1,0,0]=2 3687 B10R0.74 CCC(C)CCOCCCS c9d94861156b939110ea5fc9d36aecf2 [0,1,0,0,0,0|1,0,0]=2 3688 B10R0.74 CCC(C)CCOCCOC 8d7bae248d09a56ebc54466239cee237 [0,1,0,0,0,0|1,0,0]=2 3689 B10R0.74 CCC(C)CCOCCSC b64c3063c6c6eb45bc2fba1d8ff3787c [0,1,0,0,0,0|1,0,0]=2 3690 B10R0.74 CCC(C)CCOCSC#N 379876a649e339a3ce177e270c0e8949 [0,1,0,0,0,0|2,0,1]=4 3691 B10R0.74 CCC(C)CNCCCC#N 105268c2922456e06156148f4bf4df34 [0,1,0,0,0,0|2,0,1]=4 3692 B10R0.74 CCC(C)CNCCCC=O 197e62900e79725c5aae6d9f5f3ae42d [0,1,0,0,0,0|2,0,1]=4 3693 B10R0.74 CCC(C)CNCCCCCl 917cb26a748939f850615c16fa851da1 [0,1,0,0,0,0|2,0,0]=3 3694 B10R0.74 CCC(C)CNCCCCF f33a24826977c2ca04be37b8b5d7bb09 [0,1,0,0,0,0|2,0,0]=3 3695 B10R0.74 CCC(C)CNCCCCO d15273dd26c927f9b108e3cd0aef9d68 [0,1,0,0,0,0|2,0,0]=3 3696 B10R0.74 CCC(C)CNCCCCS 1370e11fe3f95c57f64117cbba7417d8 [0,1,0,0,0,0|2,0,0]=3 3697 B10R0.74 CCC(C)CNCCCOC cd1f418725a5b121c8cf7dbe2e4f3258 [0,1,0,0,0,0|2,0,0]=3 3698 B10R0.74 CCC(C)CNCCCSC ea4d4e4b2eee41950cf6a896f0241f5a [0,1,0,0,0,0|2,0,0]=3 3699 B10R0.74 CCC(C)COCCCC#N 35a2a9a26ac0eef0cc0e5c07af1abcb7 [0,1,0,0,0,0|1,0,1]=3 3700 B10R0.74 CCC(C)COCCCC=O c0c9cbd4ba827bed98f2d72349b45fb9 [0,1,0,0,0,0|1,0,1]=3 3701 B10R0.74 CCC(C)COCCCCF cade49b7398ade60dc41077e3eb9271c [0,1,0,0,0,0|1,0,0]=2 3702 B10R0.74 CCC(C)COCCCCS 3a5ef74c285c96d806a925c1b88d33fa [0,1,0,0,0,0|1,0,0]=2 3703 B10R0.74 CCC(C)COCCCOC fbeb5e71dd462129cd50eb030d7a3216 [0,1,0,0,0,0|1,0,0]=2 3704 B10R0.74 CCC(C)COCCCSC 94f2af8e234e7bd5f7570b205c7f165e [0,1,0,0,0,0|1,0,0]=2 3705 B10R0.74 CCC(C)COCCNC=O d01a5fbb251c6a978593b83ae3bd5773 [0,1,0,0,0,0|2,0,1]=4 3706 B10R0.74 CCC(C)COCCOC=O b07f9cf292f098cdcbb87122d784ed79 [0,1,0,0,0,0|2,0,1]=4 3707 B10R0.74 CCC(C)NCCCCCCl 1245d9a9bb6a816e90a8710af12604ba [0,1,0,0,0,0|3,0,0]=4 3708 B10R0.74 CCC(C)NCCCCCF c40f2fca89541902b88f031e828a3f8b [0,1,0,0,0,0|3,0,0]=4 3709 B10R0.74 CCC(C)NCCCCCO 5ef3aa1a131b4afd404c7a54c1965778 [0,1,0,0,0,0|3,0,0]=4 3710 B10R0.74 CCC(C)NCCCCOC 3322a47bdd3e9086eac2085b04a1a6b7 [0,1,0,0,0,0|3,0,0]=4 3711 B10R0.74 CCC(C)NCCCCSC 4586b774f71f3355355ccf9faab857b5 [0,1,0,0,0,0|3,0,0]=4 3712 B10R0.74 CCC(C)NCOCCOC ab042c0cc39b6205891d9e261afab556 [0,1,0,0,0,0|2,0,0]=3 3713 B10R0.74 CCC(C)OCCCCCF 6a3c3628c413a5f1aac0fa42f865c11e [0,1,0,0,0,0|3,0,0]=4 3714 B10R0.74 CCC(C)OCCCCOC ad8bf65f6e256901999a50e5f0b60b29 [0,1,0,0,0,0|3,0,0]=4 3715 B10R0.74 CCC(C)OCCCCSC 1c9a1f1356fd194ef59b3947619dc07a [0,1,0,0,0,0|3,0,0]=4 3716 B10R0.74 CCC(C)OCOCCOC 389ee018c8fcbb923cf9ca5cc729867e [0,1,0,0,0,0|2,0,0]=3 3717 B10R0.74 CCC(O)CNCCCC#N 932b095df647ecc832762a09e28dcbdd [0,1,0,0,0,0|2,0,1]=4 3718 B10R0.74 CCC(O)CNCCCC=O d1e3cbd1bc7d6085a841ad775f031f6a [0,1,0,0,0,0|2,0,1]=4 3719 B10R0.74 CCC(O)CNCCCCCl cad622522a29c771db0b8f05f1514ce8 [0,1,0,0,0,0|2,0,0]=3 3720 B10R0.74 CCC(O)CNCCCCF 3a6e8e2c2e6c7a8cd245fb4a795e480e [0,1,0,0,0,0|2,0,0]=3 3721 B10R0.74 CCC(O)CNCCCCO e3b3fdcacb3d98922ac18db83f1a93d7 [0,1,0,0,0,0|2,0,0]=3 3722 B10R0.74 CCC(O)CNCCCCS d7e0bfbe339d2a1bce5a10b0771ff11f [0,1,0,0,0,0|2,0,0]=3 3723 B10R0.74 CCC(O)CNCCCOC 7e9f5f71e036fe1ce91f3bc6841fa580 [0,1,0,0,0,0|2,0,0]=3 3724 B10R0.74 CCC(O)CNCCCSC 446b00822bb84e67f419db49dbaeac33 [0,1,0,0,0,0|2,0,0]=3 3725 B10R0.74 CCC(S)CCOC/C=C/Cl 1ad41deaaa1ec831051ead22f358ae5b [0,1,0,0,0,0|1,0,2]=4 3726 B10R0.74 CCC(S)CCOC/C=C\Cl 4cfdc688b85423c5cc8f9b29dcc4bdc5 [0,1,0,0,0,0|1,0,2]=4 3727 B10R0.74 CCC(S)CCOCCC#N 53f8489a1b48ef4435220bf768a4d8c8 [0,1,0,0,0,0|1,0,1]=3 3728 B10R0.74 CCC(S)CCOCCC=O d3c356296164b2473ada91f2875ef78c [0,1,0,0,0,0|1,0,1]=3 3729 B10R0.74 CCC(S)CCOCCCF c75c637b6efc4629096d3a1148e0db9f [0,1,0,0,0,0|1,0,0]=2 3730 B10R0.74 CCC(S)CCOCCCS 240d808dc20256cad1d36f0700cbfb8e [0,1,0,0,0,0|1,0,0]=2 3731 B10R0.74 CCC(S)CCOCCOC 67e3895f3a160aa52fbaa027ffa7eba4 [0,1,0,0,0,0|1,0,0]=2 3732 B10R0.74 CCC(S)CCOCCSC eb144eecacbdad1a91a580af0f400390 [0,1,0,0,0,0|1,0,0]=2 3733 B10R0.74 CCC(S)CCOCSC#N c23f9d14ba2b55cbd289092513bbaae2 [0,1,0,0,0,0|2,0,1]=4 3734 B10R0.74 CCC/C=C/CNC(C)CC 4e48ba9c0fd98caefbe85435fa5b1a78 [0,1,0,0,0,0|2,0,1]=4 3735 B10R0.74 CCC/C=C/CN[C@@H](C)CC b7605e996cb0e45ab279f62487cb2b40 [0,1,0,0,0,0|2,0,1]=4 3736 B10R0.74 CCC/C=C/CN[C@H](C)CC dd95691b136f2707f8767c08a69f2a66 [0,1,0,0,0,0|2,0,1]=4 3737 B10R0.74 CCC/C=C/COC(C)CC 9d98da554dcc872c553125211755c2f1 [0,1,0,0,0,0|2,0,1]=4 3738 B10R0.74 CCC/C=C/CO[C@@H](C)CC a336b5e3decea76f5731829ecb170ae9 [0,1,0,0,0,0|2,0,1]=4 3739 B10R0.74 CCC/C=C/CO[C@H](C)CC aeb209c4e3a2af254650316b293cd84f [0,1,0,0,0,0|2,0,1]=4 3740 B10R0.74 CCC/C=C\CNC(C)CC 93778ee7585781e977d18115d2d5927a [0,1,0,0,0,0|2,0,1]=4 3741 B10R0.74 CCC/C=C\CN[C@@H](C)CC b3e7fcd5abd5ab3c2e18e130810a40c3 [0,1,0,0,0,0|2,0,1]=4 3742 B10R0.74 CCC/C=C\CN[C@H](C)CC 2bc95e0a31d669a6c49f2c90c0267941 [0,1,0,0,0,0|2,0,1]=4 3743 B10R0.74 CCC/C=C\COC(C)CC a26ef22927ba4d735254ddc319a96279 [0,1,0,0,0,0|2,0,1]=4 3744 B10R0.74 CCC/C=C\CO[C@@H](C)CC 4c4ab28a89b9b3d70d6378bd67ee91bc [0,1,0,0,0,0|2,0,1]=4 3745 B10R0.74 CCC/C=C\CO[C@H](C)CC 52fe4cd33011e343d8fae8f0ccfc7dac [0,1,0,0,0,0|2,0,1]=4 3746 B10R0.74 CCCC#CCOC(C)CC a777b67c18220327e0c7419ff3892f56 [0,1,0,0,0,0|2,0,1]=4 3747 B10R0.74 CCCC/C=C/CN(C)CC dc595404714343cad7f76f5699bc0c34 [0,1,0,0,0,0|2,0,1]=4 3748 B10R0.74 CCCC/C=C\CN(C)CC e5d8cc90fc7aad04775a8c9b11b19f6e [0,1,0,0,0,0|2,0,1]=4 3749 B10R0.74 CCCCCCCN(C)CC 47b76648ffaec1d683c10fbd55b8b760 [0,1,0,0,0,0|2,0,0]=3 3750 B10R0.74 CCCCCCCN(C)CF efc27d4909d8b5313adc8ac4275b32da [0,1,0,0,0,0|3,0,0]=4 3751 B10R0.74 CCCCCCCN(C)CO 573521cd3fbdacea8ebfd46803417275 [0,1,0,0,0,0|3,0,0]=4 3752 B10R0.74 CCCCCCNC(=O)CC f0032df3cc8c2000bc1576b718e1412f [0,1,0,0,0,0|2,0,1]=4 3753 B10R0.74 CCCCCCNC(C)CC 53e44df6969c0f5db5e2ae20e833ced2 [0,1,0,0,0,0|2,0,0]=3 3754 B10R0.74 CCCCCCNC(C)CO 07ceb339611b1c528c6b5c7f6cc75c93 [0,1,0,0,0,0|3,0,0]=4 3755 B10R0.74 CCCCCCN[C@@H](C)CC af6ba5f4188670da2e5b1f8dc87a134c [0,1,0,0,0,0|2,0,0]=3 3756 B10R0.74 CCCCCCN[C@@H](C)CO 4743e3b17903aa1add096c5d6519b0c1 [0,1,0,0,0,0|3,0,0]=4 3757 B10R0.74 CCCCCCN[C@H](C)CC 83007d10aa75918c4280ed98b36f2e5b [0,1,0,0,0,0|2,0,0]=3 3758 B10R0.74 CCCCCCN[C@H](C)CO 30ba1c8e11fd11e8a728d06f64037e6a [0,1,0,0,0,0|3,0,0]=4 3759 B10R0.74 CCCCCCOC(C)CC 63a0e53b4936ff9a126507b425b4f873 [0,1,0,0,0,0|2,0,0]=3 3760 B10R0.74 CCCCCCOC(C)CF 557b2cc9d2559881448b3b495b5b2844 [0,1,0,0,0,0|3,0,0]=4 3761 B10R0.74 CCCCCCOC(C)CS 264de8c1030f8b41581807164d9c2c3b [0,1,0,0,0,0|3,0,0]=4 3762 B10R0.74 CCCCCCO[C@@H](C)CC 913d8fe5eb0dc2cd00df16877f67de0e [0,1,0,0,0,0|2,0,0]=3 3763 B10R0.74 CCCCCCO[C@H](C)CC c063b7a21fad8b8f0def39d173f79e48 [0,1,0,0,0,0|2,0,0]=3 3764 B10R0.74 CCCCCCO[C@H](C)CS 480e95b08328620db840677e0b53babf [0,1,0,0,0,0|3,0,0]=4 3765 B10R0.74 CCCCCNCC(=O)CC 9dd2e224792ae6d66bce0b7cb1ae679b [0,1,0,0,0,0|1,0,1]=3 3766 B10R0.74 CCCCCNCC(=O)CO 6b2786aaa9795a5c5117cb363febeda7 [0,1,0,0,0,0|2,0,1]=4 3767 B10R0.74 CCCCCNCC(=O)NC 824806198187a2c8b60b648f0512f923 [0,1,0,0,0,0|2,0,1]=4 3768 B10R0.74 CCCCCNCC(=O)OC 648365248fe1587b1bbc2cd6174118d5 [0,1,0,0,0,0|2,0,1]=4 3769 B10R0.74 CCCCCNCC(Br)CBr e7c6b09dc3caae12b7b014041272910d [0,1,0,0,0,0|2,0,0]=3 3770 B10R0.74 CCCCCNCC(C)C#N f97967ed58a54168f411682a270ffbef [0,1,0,0,0,0|2,0,1]=4 3771 B10R0.74 CCCCCNCC(C)CC e20d30575e77059b5fc8dccdcc466f74 [0,1,0,0,0,0|1,0,0]=2 3772 B10R0.74 CCCCCNCC(C)CO ef7f03b77fd3afaa805373f90c3e56aa [0,1,0,0,0,0|2,0,0]=3 3773 B10R0.74 CCCCCNCC(C)OC e1a7290ebd35116e5dd33a73a4d62278 [0,1,0,0,0,0|2,0,0]=3 3774 B10R0.74 CCCCCNCC(F)CO 2ea7729e2c5077c95f45eb5327b66e01 [0,1,0,0,0,0|2,0,0]=3 3775 B10R0.74 CCCCCNCC(O)CC d6191ad3bd9358697a26014dd3c35d2e [0,1,0,0,0,0|1,0,0]=2 3776 B10R0.74 CCCCCNCC(O)CF 2294d811f3ddee0eb17dce26521c7bc6 [0,1,0,0,0,0|2,0,0]=3 3777 B10R0.74 CCCCCNCC(O)CO d3519d9a489173acf72b75770f9d71db [0,1,0,0,0,0|2,0,0]=3 3778 B10R0.74 CCCCCNC[C@@H](C)CC 75624383a07a93d441194408d34bea83 [0,1,0,0,0,0|1,0,0]=2 3779 B10R0.74 CCCCCNC[C@@H](C)CO a665f6dd4dd9bac51b0be7828ee7dd2d [0,1,0,0,0,0|2,0,0]=3 3780 B10R0.74 CCCCCNC[C@@H](C)OC af6f9cd0a6a92dff3e8a066f619898a7 [0,1,0,0,0,0|2,0,0]=3 3781 B10R0.74 CCCCCNC[C@@H](F)CO 7a711a0395e408a042d54a5116e6b076 [0,1,0,0,0,0|2,0,0]=3 3782 B10R0.74 CCCCCNC[C@@H](O)CO 89026120ff28d3dbf2a83bce3cad26c0 [0,1,0,0,0,0|2,0,0]=3 3783 B10R0.74 CCCCCNC[C@H](C)CC b99d32d28594086efdc0317d1d89146e [0,1,0,0,0,0|1,0,0]=2 3784 B10R0.74 CCCCCNC[C@H](C)CO 9d0f39d55298985b676bed1fd2f186e0 [0,1,0,0,0,0|2,0,0]=3 3785 B10R0.74 CCCCCNC[C@H](C)OC 28c8631af38e434585208ec75ceaa810 [0,1,0,0,0,0|2,0,0]=3 3786 B10R0.74 CCCCCNC[C@H](F)CO bb31d8090ca8e3abfa433e1f362f853a [0,1,0,0,0,0|2,0,0]=3 3787 B10R0.74 CCCCCNC[C@H](O)CC 141cc5eeaba79c4f9687c521abb8108f [0,1,0,0,0,0|1,0,0]=2 3788 B10R0.74 CCCCCNC[C@H](O)CO 015dca554ce841a00aec8917d717a402 [0,1,0,0,0,0|2,0,0]=3 3789 B10R0.74 CCCCCOC/C(=C/Cl)/Cl 9a7d4efabb9fc993d3d0b24cf5036e4f [0,1,0,0,0,0|1,0,2]=4 3790 B10R0.74 CCCCCOC/C(=C/I)/C c843c8568ed1236c0fce66b4b0a5eb1d [0,1,0,0,0,0|1,0,2]=4 3791 B10R0.74 CCCCCOCC(=CI)C caabb414f9557bfc8bfaf2823b6df5c7 [0,1,0,0,0,0|1,0,2]=4 3792 B10R0.74 CCCCCOCC(=O)CC dbc68622c1630e1162d4ac42bae10c20 [0,1,0,0,0,0|0,0,1]=2 3793 B10R0.74 CCCCCOCC(=O)NC 7963aeae3ec675f3acaacb8898855202 [0,1,0,0,0,0|1,0,1]=3 3794 B10R0.74 CCCCCOCC(=O)OC b7118d3515803bc38039c9851ac2a113 [0,1,0,0,0,0|1,0,1]=3 3795 B10R0.74 CCCCCOCC(Br)CBr 8bb8c6580b92df172d699ffd6ea3d764 [0,1,0,0,0,0|1,0,0]=2 3796 B10R0.74 CCCCCOCC(C)C#N 9ebfce8533454b8386c45c7d127f533a [0,1,0,0,0,0|1,0,1]=3 3797 B10R0.74 CCCCCOCC(C)CC 412dea2fff2534118021b46f8a6f4435 [0,1,0,0,0,0|0,0,0]=1 3798 B10R0.74 CCCCCOCC(C)OC 784d7bffd0552dcf06bcf9b89514c886 [0,1,0,0,0,0|1,0,0]=2 3799 B10R0.74 CCCCCOCC(Cl)CCl 25ed727e710707423d3f99305f55afe8 [0,1,0,0,0,0|1,0,0]=2 3800 B10R0.74 CCCCCOCC(O)CO a1b36fdc5e1bf46799aa0665344b2cd4 [0,1,0,0,0,0|1,0,0]=2 3801 B10R0.74 CCCCCOCC(S)CS b654aebe6fe6a2912f705b83b3e39b5c [0,1,0,0,0,0|1,0,0]=2 3802 B10R0.74 CCCCCOC[C@@H](C)CC 0815ce752a9002f957d8245cad9da55c [0,1,0,0,0,0|0,0,0]=1 3803 B10R0.74 CCCCCOC[C@@H](C)OC a4877b9376583bb89200ebce31e15333 [0,1,0,0,0,0|1,0,0]=2 3804 B10R0.74 CCCCCOC[C@@H](O)CO dbec6fbfc37ac25dc27fe74f36f0fb6f [0,1,0,0,0,0|1,0,0]=2 3805 B10R0.74 CCCCCOC[C@H](C)CC 4040d63575afd64f526d6a508cd05115 [0,1,0,0,0,0|0,0,0]=1 3806 B10R0.74 CCCCCOC[C@H](C)OC 308df08929304a3a098581799a590a61 [0,1,0,0,0,0|1,0,0]=2 3807 B10R0.74 CCCCCOC[C@H](O)CO b973cba7b2684874077d1ef653495bea [0,1,0,0,0,0|1,0,0]=2 3808 B10R0.74 CCCCNCCC(=O)NC 9358a84b45aa382250269cc4a432e002 [0,1,0,0,0,0|2,0,1]=4 3809 B10R0.74 CCCCNCCC(=O)OC 09ad74908609854771fdcf0490c9897c [0,1,0,0,0,0|2,0,1]=4 3810 B10R0.74 CCCCNCCC(C)CC 1e9bc7ea0a0af354300a85f57c2aaa99 [0,1,0,0,0,0|1,0,0]=2 3811 B10R0.74 CCCCNCCC(C)CO b4c09f84716ff041596d971974cd520f [0,1,0,0,0,0|2,0,0]=3 3812 B10R0.74 CCCCNCCC(O)CO eefcff15428a61b2cb99ab02c211b5b8 [0,1,0,0,0,0|2,0,0]=3 3813 B10R0.74 CCCCNCCS(=O)CC 4f7fd15358b9a857942c5bba78d45605 [0,1,0,0,0,0|2,0,0]=3 3814 B10R0.74 CCCCNCC[C@@H](C)CO 79c77af43a32e53f0b9406150011cecb [0,1,0,0,0,0|2,0,0]=3 3815 B10R0.74 CCCCNCOC(=O)CC e0b802cea9bb962c4bfe33b428a79424 [0,1,0,0,0,0|2,0,1]=4 3816 B10R0.74 CCCCOCCC(=O)NC 45b320f2a23c3fb98d60c20a9148826e [0,1,0,0,0,0|1,0,1]=3 3817 B10R0.74 CCCCOCCC(=O)OC e3be7e6d51b5d91e883aedbf1fdb6a9f [0,1,0,0,0,0|1,0,1]=3 3818 B10R0.74 CCCCOCCC(C)CC f254ee673c9931edff6d585f5329842f [0,1,0,0,0,0|0,0,0]=1 3819 B10R0.74 CCCCOCCC(C)OC c8652128de7645f740690c6ee96dd945 [0,1,0,0,0,0|1,0,0]=2 3820 B10R0.74 CCCCOCCC(S)CC bc2f3b2f58c19e9a9629224575cf313f [0,1,0,0,0,0|0,0,0]=1 3821 B10R0.74 CCCCOCCN(C)C#N 2ac3c1952f23c991f391ce7d0de1aa5d [0,1,0,0,0,0|2,0,1]=4 3822 B10R0.74 CCCCOCCN(C)C=O 1c22f4c69f891be22902fa0967936897 [0,1,0,0,0,0|2,0,1]=4 3823 B10R0.74 CCCCOCCN(C)CC 33cc8b6700841eb82fab445c5dbbc64d [0,1,0,0,0,0|1,0,0]=2 3824 B10R0.74 CCCCOCCS(=O)CC a4f32aa190e55e60f786e86eb5a7eb42 [0,1,0,0,0,0|1,0,0]=2 3825 B10R0.74 CCCCOCC[C@@H](C)CC 993c3afca03cb97ff2687a4bdbe6e055 [0,1,0,0,0,0|0,0,0]=1 3826 B10R0.74 CCCCOCNC(C)C#N 09bf50626cbab4c4a0a54fbd6721286e [0,1,0,0,0,0|2,0,1]=4 3827 B10R0.74 CCCCOCNC(C)CC 4fe9d60f8c260b4fe9a74e716daf1c8e [0,1,0,0,0,0|1,0,0]=2 3828 B10R0.74 CCCCOCNC(C)CO 76aa6fb25da70ad41f89e1ad0d3d7cd1 [0,1,0,0,0,0|2,0,0]=3 3829 B10R0.74 CCCCOCN[C@@H](C)CC 4b2c024e16df14de4a5afafb50cc30b0 [0,1,0,0,0,0|1,0,0]=2 3830 B10R0.74 CCCCOCN[C@@H](C)CO 0d3371170619167d8c6805f434bd4215 [0,1,0,0,0,0|2,0,0]=3 3831 B10R0.74 CCCCOCN[C@H](C)CC a46028efe411312aa4bf0a52de5acbfc [0,1,0,0,0,0|1,0,0]=2 3832 B10R0.74 CCCCOCN[C@H](C)CO eb68e03805c719e5901577b96a1e26db [0,1,0,0,0,0|2,0,0]=3 3833 B10R0.74 CCCCOCOC(=O)CC 79f92447ebf68bdbe7c87af9f238ac09 [0,1,0,0,0,0|1,0,1]=3 3834 B10R0.74 CCCCOCOC(=O)OC f2b08abd9d6a5d7efd1cbb987a41251e [0,1,0,0,0,0|2,0,1]=4 3835 B10R0.74 CCCCOCOC(C)C=O 8739f92a6eba1640914b5953928ea9bd [0,1,0,0,0,0|2,0,1]=4 3836 B10R0.74 CCCCOCOC(C)CC b1b4b0a9028982023e445a30acf0111b [0,1,0,0,0,0|1,0,0]=2 3837 B10R0.74 CCCCOCOC(C)CF 04860ec1dc1c18bafa835a2001327317 [0,1,0,0,0,0|2,0,0]=3 3838 B10R0.74 CCCCOCO[C@@H](C)CC cb49f022c3ab9d1366df5238e6c3b898 [0,1,0,0,0,0|1,0,0]=2 3839 B10R0.74 CCCCOCO[C@H](C)CC de52d6cb33e0e7e7e6b0bc636cc3594c [0,1,0,0,0,0|1,0,0]=2 3840 B10R0.74 CCCNCCCC(C)CO 67fe566447d872b897b076ee88527f4f [0,1,0,0,0,0|3,0,0]=4 3841 B10R0.74 CCCNCCCN(C)CC 56b41273e5db8c52279d9d8f88d5499b [0,1,0,0,0,0|3,0,0]=4 3842 B10R0.74 CCCOCCCC(C)CC 830720c7a42a213e98aa1689bfd341de [0,1,0,0,0,0|2,0,0]=3 3843 B10R0.74 CCCOCCCN(C)CC 4b6b7ea1a0b082f6cb271198bde9bda0 [0,1,0,0,0,0|3,0,0]=4 3844 B10R0.74 CCCOCCC[C@@H](C)CC 6a40126846604dd5c0859f3f0606466c [0,1,0,0,0,0|2,0,0]=3 3845 B10R0.74 CCCOCCNC(C)CC e2e69f4ae04d5ba391c30eaacd1735b6 [0,1,0,0,0,0|3,0,0]=4 3846 B10R0.74 CCCOCCN[C@@H](C)CC 4b040ad3421edf5e9ba6d2e921911f72 [0,1,0,0,0,0|3,0,0]=4 3847 B10R0.74 CCCOCCN[C@H](C)CC f851988b5dbd5645378976ba47094792 [0,1,0,0,0,0|3,0,0]=4 3848 B10R0.74 CCCOCCOC(C)CC caa02544192185eca0b2f14146ba92c3 [0,1,0,0,0,0|3,0,0]=4 3849 B10R0.74 CCCOCCO[C@@H](C)CC 1788ab32bc60c6e109792f373c0a19a4 [0,1,0,0,0,0|3,0,0]=4 3850 B10R0.74 CCCOCCO[C@H](C)CC 1b07f88c4baf03d429c02bfb85ce8c6b [0,1,0,0,0,0|3,0,0]=4 3851 B10R0.74 CCCSCCOC(C)CC 2733f49a83cc68881a8534ace6386d1a [0,1,0,0,0,0|3,0,0]=4 3852 B10R0.74 CCN(C)CCCCCCF 3df36bdeb6965a59cee41b76334a7f86 [0,1,0,0,0,0|3,0,0]=4 3853 B10R0.74 CCN(C)CCCCCCO e3aa6c11ae31868348749421607ee8ee [0,1,0,0,0,0|3,0,0]=4 3854 B10R0.74 CCN(C)CCCCCOC cb496f91f998a26a6a0a13d22862dd52 [0,1,0,0,0,0|3,0,0]=4 3855 B10R0.74 CCN(C)CCOCCOC a664330340997635d6f0904aef286d50 [0,1,0,0,0,0|2,0,0]=3 3856 B10R0.74 CCOCCCCC(C)CC 3c6366718257375887654157dbd37fde [0,1,0,0,0,0|2,0,0]=3 3857 B10R0.74 CCOCCCC[C@@H](C)CC 61dd5edace1544e6b919dffbc4a84356 [0,1,0,0,0,0|2,0,0]=3 3858 B10R0.74 CCOCCCNC(C)CC e5c10849c3ab3b5f9605c25fff97bc88 [0,1,0,0,0,0|3,0,0]=4 3859 B10R0.74 CCOCCCN[C@@H](C)CC c91c18aa4234f61c45040a47a88e3f05 [0,1,0,0,0,0|3,0,0]=4 3860 B10R0.74 CCOCCCN[C@H](C)CC 27819bece40811062b15d7f280e1fa7d [0,1,0,0,0,0|3,0,0]=4 3861 B10R0.74 CCOCCCOC(C)CC 1cc6268698b2b659715eacd8fc564a82 [0,1,0,0,0,0|3,0,0]=4 3862 B10R0.74 CCOCCCO[C@@H](C)CC 9b42b4c7539ecd40408526db65ae8f63 [0,1,0,0,0,0|3,0,0]=4 3863 B10R0.74 CCOCCCO[C@H](C)CC 2d084986b28a59e397ad245961112c15 [0,1,0,0,0,0|3,0,0]=4 3864 B10R0.74 CCOCCNCC(=O)CC d7706193ea63d1501ba50869205a2155 [0,1,0,0,0,0|2,0,1]=4 3865 B10R0.74 CCOCCNCC(Br)CBr 6e049b82e6463c4a575d5646d57d1e1d [0,1,0,0,0,0|3,0,0]=4 3866 B10R0.74 CCOCCNCC(C)CC 797d6975ef62cf2a358baa5848b29990 [0,1,0,0,0,0|2,0,0]=3 3867 B10R0.74 CCOCCNCC(C)CO f4ceae12499f324f871a904a081ca2c9 [0,1,0,0,0,0|3,0,0]=4 3868 B10R0.74 CCOCCNCC(C)OC 5049e0b64c4802a07e314e2fcd61028c [0,1,0,0,0,0|3,0,0]=4 3869 B10R0.74 CCOCCNCC(F)CO 36a8583e9e3657cc7949aa5402c1bc47 [0,1,0,0,0,0|3,0,0]=4 3870 B10R0.74 CCOCCNCC(O)CC a835e1769f1051b73e609aeb92c8e06d [0,1,0,0,0,0|2,0,0]=3 3871 B10R0.74 CCOCCNCC(O)CF 44b3eb3f75d68de02c948d90f2ee35ca [0,1,0,0,0,0|3,0,0]=4 3872 B10R0.74 CCOCCNCC(O)CO e70c3e9ffb10db1ff94bf46b76b237fb [0,1,0,0,0,0|3,0,0]=4 3873 B10R0.74 CCOCCNC[C@@H](C)CC 665995c6e53d25825d363feb31298424 [0,1,0,0,0,0|2,0,0]=3 3874 B10R0.74 CCOCCNC[C@@H](C)CO 596557118791d066518b5eeb9ab7a549 [0,1,0,0,0,0|3,0,0]=4 3875 B10R0.74 CCOCCNC[C@@H](C)OC 23013591ca82e0deb08c9044fb9b2782 [0,1,0,0,0,0|3,0,0]=4 3876 B10R0.74 CCOCCNC[C@@H](F)CO 456ce03da4586fa23fd9e0b209470cec [0,1,0,0,0,0|3,0,0]=4 3877 B10R0.74 CCOCCNC[C@@H](O)CO 1e739311f33f43860942488bc24e7c17 [0,1,0,0,0,0|3,0,0]=4 3878 B10R0.74 CCOCCNC[C@H](C)CC 4759e8493e88283d84762799289c5703 [0,1,0,0,0,0|2,0,0]=3 3879 B10R0.74 CCOCCNC[C@H](C)CO 63208f94aa15aef4fc72628a3bbf0e98 [0,1,0,0,0,0|3,0,0]=4 3880 B10R0.74 CCOCCNC[C@H](C)OC 6ac2aa520db19d31c33b1fe4c3579709 [0,1,0,0,0,0|3,0,0]=4 3881 B10R0.74 CCOCCNC[C@H](F)CO 77e259954d4e10e040f61118059c9175 [0,1,0,0,0,0|3,0,0]=4 3882 B10R0.74 CCOCCNC[C@H](O)CC 3ab327c8eb0a2725a3aac99f18371f0a [0,1,0,0,0,0|2,0,0]=3 3883 B10R0.74 CCOCCNC[C@H](O)CO 32666911040fc1f0101e0a64e5e1792b [0,1,0,0,0,0|3,0,0]=4 3884 B10R0.74 CCOCCOCC(=O)CC f5ee646e9c774eb801506681a591586a [0,1,0,0,0,0|1,0,1]=3 3885 B10R0.74 CCOCCOCC(=O)NC 403ac419c87b63f3ab88a9e8e8198398 [0,1,0,0,0,0|2,0,1]=4 3886 B10R0.74 CCOCCOCC(=O)OC a85fffda64a094bd9fa34bf171e10958 [0,1,0,0,0,0|2,0,1]=4 3887 B10R0.74 CCOCCOCC(Br)CBr 9ebc6721cc09698dc97a2c8d7ae28799 [0,1,0,0,0,0|2,0,0]=3 3888 B10R0.74 CCOCCOCC(C)C#N a87ecb5f3a739af72b505dee2ce27ad8 [0,1,0,0,0,0|2,0,1]=4 3889 B10R0.74 CCOCCOCC(C)CC 728fdbbdfb9b1e172d379ea93261daa4 [0,1,0,0,0,0|1,0,0]=2 3890 B10R0.74 CCOCCOCC(C)OC 2aa57b45bf8792c7ffe9086e5f9a81e9 [0,1,0,0,0,0|2,0,0]=3 3891 B10R0.74 CCOCCOCC(Cl)CCl ce9daec4667e20356c289fca50833cad [0,1,0,0,0,0|2,0,0]=3 3892 B10R0.74 CCOCCOCC(O)CO 46c41fcee1241808c212839b16300df2 [0,1,0,0,0,0|2,0,0]=3 3893 B10R0.74 CCOCCOCC(S)CS b024d120992c5f15b1490207e230a845 [0,1,0,0,0,0|2,0,0]=3 3894 B10R0.74 CCOCCOC[C@@H](C)CC eb5c8b16737bac0fd669a2c8a1a66644 [0,1,0,0,0,0|1,0,0]=2 3895 B10R0.74 CCOCCOC[C@@H](C)OC 9e349232cfda3aa915a24e1babbfb06b [0,1,0,0,0,0|2,0,0]=3 3896 B10R0.74 CCOCCOC[C@@H](O)CO 24862ef83876b8d3f22fceee7c3ababb [0,1,0,0,0,0|2,0,0]=3 3897 B10R0.74 CCOCCOC[C@H](C)CC be524e33c578245fd22042ee9fa1d51a [0,1,0,0,0,0|1,0,0]=2 3898 B10R0.74 CCOCCOC[C@H](C)OC af9cbfaa8ad3d28c434f72b67d5c0360 [0,1,0,0,0,0|2,0,0]=3 3899 B10R0.74 CCOCCOC[C@H](O)CO a582032bc745390df69b09d6c57b34e4 [0,1,0,0,0,0|2,0,0]=3 3900 B10R0.74 CCOCNCCC(C)CC a700beb27addd48dbfde67abd8c021dd [0,1,0,0,0,0|2,0,0]=3 3901 B10R0.74 CCOCNCCC(C)CO 725b35b9beb12e21c7e5d35ea21399cc [0,1,0,0,0,0|3,0,0]=4 3902 B10R0.74 CCOCNCCC(O)CO aea9bdbe63c233ca3dd92c8c00d317cb [0,1,0,0,0,0|3,0,0]=4 3903 B10R0.74 CCOCNCC[C@@H](C)CO ccd408a6f8c45b565ddf67d755cbac76 [0,1,0,0,0,0|3,0,0]=4 3904 B10R0.74 CCOCOCCC(=O)NC 8e4a46454820767ceb194bebfadcbfa0 [0,1,0,0,0,0|2,0,1]=4 3905 B10R0.74 CCOCOCCC(=O)OC a1011f85baa037966a10f0db7d9f71d6 [0,1,0,0,0,0|2,0,1]=4 3906 B10R0.74 CCOCOCCC(C)CC ac3cd7b41d826a0b62bdf9ae8e99918d [0,1,0,0,0,0|1,0,0]=2 3907 B10R0.74 CCOCOCCC(C)OC c3784aaccca525fb91616616852dfe83 [0,1,0,0,0,0|2,0,0]=3 3908 B10R0.74 CCOCOCCC(S)CC 4629a1b73b5e695c84b3dda519b50f5e [0,1,0,0,0,0|1,0,0]=2 3909 B10R0.74 CCOCOCC[C@@H](C)CC c661efaf1bc7a58e0e8f6471aa7fc67e [0,1,0,0,0,0|1,0,0]=2 3910 B10R0.74 CCS(=O)CCNCCCCl b350a5c5658ff45d9922da1f54fefd14 [0,1,0,0,0,0|3,0,0]=4 3911 B10R0.74 CCS(=O)CCNCCCO aa44ebb0eb57921853b6b221149e599a [0,1,0,0,0,0|3,0,0]=4 3912 B10R0.74 CCS(=O)CCNCCOC 1277c86dee43eab95a7f7e2fedbf3b34 [0,1,0,0,0,0|3,0,0]=4 3913 B10R0.74 CCS(=O)CCOCCC#N f438bc9dcac9292d79e1c0bda04d775c [0,1,0,0,0,0|2,0,1]=4 3914 B10R0.74 CCS(=O)CCOCCC=O fc59cddede9069e0f12e26802c761186 [0,1,0,0,0,0|2,0,1]=4 3915 B10R0.74 CCS(=O)CCOCCCF a992bf2e320d6b61d3b5d990e6ebd5e3 [0,1,0,0,0,0|2,0,0]=3 3916 B10R0.74 CCS(=O)CCOCCOC 2935c67add4328a4c8c16181bae436b7 [0,1,0,0,0,0|2,0,0]=3 3917 B10R0.74 CCS(=O)CCOCCSC a1b7a08d76ca67ce6669118e2d2f4534 [0,1,0,0,0,0|2,0,0]=3 3918 B10R0.74 CCSCCCNC(C)CC 01b8984a20fa65dae57fb84fcceb22cc [0,1,0,0,0,0|3,0,0]=4 3919 B10R0.74 CCSCCCN[C@@H](C)CC 5f89568364af1d00acda7f0295721748 [0,1,0,0,0,0|3,0,0]=4 3920 B10R0.74 CCSCCCN[C@H](C)CC 3388c0b88ac779cf84b72b4f96e201f5 [0,1,0,0,0,0|3,0,0]=4 3921 B10R0.74 CCSCCCOC(C)CC 1b107a43579c4e83b65068858d994eb9 [0,1,0,0,0,0|3,0,0]=4 3922 B10R0.74 CCSCCCO[C@@H](C)CC 748a85663364fe07fba2583562f8e5dc [0,1,0,0,0,0|3,0,0]=4 3923 B10R0.74 CCSCCCO[C@H](C)CC 68b48412af8d72ee9b1bfb34940a7d55 [0,1,0,0,0,0|3,0,0]=4 3924 B10R0.74 CCSCCNCC(=O)CC ea42e9803fa591d5438d4ed46e472050 [0,1,0,0,0,0|2,0,1]=4 3925 B10R0.74 CCSCCNCC(Br)CBr 78355e9d272b0f729590a6a1f6e7b257 [0,1,0,0,0,0|3,0,0]=4 3926 B10R0.74 CCSCCNCC(C)CC 67ef7713f665411eab414b91d74ca093 [0,1,0,0,0,0|2,0,0]=3 3927 B10R0.74 CCSCCNCC(C)CO 15bc2401bab3dee13f521fd21b470918 [0,1,0,0,0,0|3,0,0]=4 3928 B10R0.74 CCSCCNCC(C)OC 267dfd1e21431ab558f26e732d4f29ef [0,1,0,0,0,0|3,0,0]=4 3929 B10R0.74 CCSCCNCC(F)CO 73269351537bd427984f4164d59f4e05 [0,1,0,0,0,0|3,0,0]=4 3930 B10R0.74 CCSCCNCC(O)CC b3e7e199cdbfb3b0ade738310b58caf4 [0,1,0,0,0,0|2,0,0]=3 3931 B10R0.74 CCSCCNCC(O)CF 7fb3dfc4b44dc442cc88b6b2b368820a [0,1,0,0,0,0|3,0,0]=4 3932 B10R0.74 CCSCCNCC(O)CO 330a28500034121f0d97a8cb2e0ff7b6 [0,1,0,0,0,0|3,0,0]=4 3933 B10R0.74 CCSCCNC[C@@H](C)CC a4a36b1f80d5edebe980dc92df7245ab [0,1,0,0,0,0|2,0,0]=3 3934 B10R0.74 CCSCCNC[C@@H](C)CO 16c72be9dd03a65c04d572fe990c30f5 [0,1,0,0,0,0|3,0,0]=4 3935 B10R0.74 CCSCCNC[C@@H](C)OC a100f6d04645ce87fe8480d4fe2d50dd [0,1,0,0,0,0|3,0,0]=4 3936 B10R0.74 CCSCCNC[C@@H](F)CO 5fe871353a8e23145d7a2540f6e2f948 [0,1,0,0,0,0|3,0,0]=4 3937 B10R0.74 CCSCCNC[C@@H](O)CO 7f3fcdb5c0a59d07ede2e60394ff3e5e [0,1,0,0,0,0|3,0,0]=4 3938 B10R0.74 CCSCCNC[C@H](C)CC 5eeebf2255654e496704d20020e21d00 [0,1,0,0,0,0|2,0,0]=3 3939 B10R0.74 CCSCCNC[C@H](C)CO 09f72fe75bfb372087075dc22e2f4ec3 [0,1,0,0,0,0|3,0,0]=4 3940 B10R0.74 CCSCCNC[C@H](C)OC 8c991276c083f2bad0d46862358a8b8b [0,1,0,0,0,0|3,0,0]=4 3941 B10R0.74 CCSCCNC[C@H](F)CO d58900ec136f9c0cbe58dd2dd78b9178 [0,1,0,0,0,0|3,0,0]=4 3942 B10R0.74 CCSCCNC[C@H](O)CC 96de077d5d98f82ff7668ca01fe01895 [0,1,0,0,0,0|2,0,0]=3 3943 B10R0.74 CCSCCNC[C@H](O)CO 46e5f77f0221dc10975111e466132438 [0,1,0,0,0,0|3,0,0]=4 3944 B10R0.74 CCSCCOCC(=O)CC 82de2cead989ad44946e29a17907e2c4 [0,1,0,0,0,0|1,0,1]=3 3945 B10R0.74 CCSCCOCC(=O)NC dc4ea39a964dad3e0844aabb3720e833 [0,1,0,0,0,0|2,0,1]=4 3946 B10R0.74 CCSCCOCC(=O)OC 5721b0d191f483b2c5970b87ced2a450 [0,1,0,0,0,0|2,0,1]=4 3947 B10R0.74 CCSCCOCC(Br)CBr 3cbbef54fc5ed7d91ff8a6066ff5b198 [0,1,0,0,0,0|2,0,0]=3 3948 B10R0.74 CCSCCOCC(C)C#N 50748921214c27fdc4ac3f410847eb91 [0,1,0,0,0,0|2,0,1]=4 3949 B10R0.74 CCSCCOCC(C)CC f4aa637a6a62e2b6b6c4c417a3ea34e7 [0,1,0,0,0,0|1,0,0]=2 3950 B10R0.74 CCSCCOCC(C)OC 4d647286dc5898d5c992b9a9cfe6af3a [0,1,0,0,0,0|2,0,0]=3 3951 B10R0.74 CCSCCOCC(Cl)CCl 3004df8ae1ee0a2ccea6977388768db2 [0,1,0,0,0,0|2,0,0]=3 3952 B10R0.74 CCSCCOCC(O)CO 09bcac7b572f9049f293836551c32636 [0,1,0,0,0,0|2,0,0]=3 3953 B10R0.74 CCSCCOCC(S)CS 005d12abe3925314af1452d72230197c [0,1,0,0,0,0|2,0,0]=3 3954 B10R0.74 CCSCCOC[C@@H](C)CC 85d1e354d325921c89837afaff1f5f2e [0,1,0,0,0,0|1,0,0]=2 3955 B10R0.74 CCSCCOC[C@@H](C)OC a2b9a7363878ea36dde5f5f5ba392503 [0,1,0,0,0,0|2,0,0]=3 3956 B10R0.74 CCSCCOC[C@@H](O)CO 533dbd49ca09d835324abf067bc8319d [0,1,0,0,0,0|2,0,0]=3 3957 B10R0.74 CCSCCOC[C@H](C)CC 1e1ad7e68dbe3aa2ffac5f74682a83d4 [0,1,0,0,0,0|1,0,0]=2 3958 B10R0.74 CCSCCOC[C@H](C)OC aa84ae65d17418a5bcf7408dbc75a56b [0,1,0,0,0,0|2,0,0]=3 3959 B10R0.74 CCSCCOC[C@H](O)CO 4fb16f03f05216fc71f249a7598d3aeb [0,1,0,0,0,0|2,0,0]=3 3960 B10R0.74 CC[C@@H](C)CNCCCC#N 7c78b45b337e0c1894a1aa2beb013164 [0,1,0,0,0,0|2,0,1]=4 3961 B10R0.74 CC[C@@H](C)CNCCCCCl 4e6f924e95c6b4e83b5c225f82a7a70d [0,1,0,0,0,0|2,0,0]=3 3962 B10R0.74 CC[C@@H](C)CNCCCCO ae505a0ad66ef2e2cb3161dcdab11008 [0,1,0,0,0,0|2,0,0]=3 3963 B10R0.74 CC[C@@H](C)CNCCCCS 833d5a52ef1cf9cb1b8a35f8e7e89089 [0,1,0,0,0,0|2,0,0]=3 3964 B10R0.74 CC[C@@H](C)CNCCCOC 01b0622605b30fe66900c1f603a47282 [0,1,0,0,0,0|2,0,0]=3 3965 B10R0.74 CC[C@@H](C)CNCCCSC 55fe61c9f6ba9acc47c9a79dd8395456 [0,1,0,0,0,0|2,0,0]=3 3966 B10R0.74 CC[C@@H](C)COCCCC#N 07564254e2259cb0c61f3854bf96110b [0,1,0,0,0,0|1,0,1]=3 3967 B10R0.74 CC[C@@H](C)COCCCC=O a4f1c10c0f897e176ee51e929ffb2675 [0,1,0,0,0,0|1,0,1]=3 3968 B10R0.74 CC[C@@H](C)COCCCCF af198fabaf337b674d80edc0aeeba5d2 [0,1,0,0,0,0|1,0,0]=2 3969 B10R0.74 CC[C@@H](C)COCCCCS ece867ee70914559d18c452fa07c46cc [0,1,0,0,0,0|1,0,0]=2 3970 B10R0.74 CC[C@@H](C)COCCCOC 240633634823d00f27f57cbe2d1abaee [0,1,0,0,0,0|1,0,0]=2 3971 B10R0.74 CC[C@@H](C)COCCCSC 6a8d0daf5b49a452116ce3506871c880 [0,1,0,0,0,0|1,0,0]=2 3972 B10R0.74 CC[C@@H](C)COCCNC=O 13bd4468f2ef36422f2c4cbfc9ed14a3 [0,1,0,0,0,0|2,0,1]=4 3973 B10R0.74 CC[C@@H](C)COCCOC=O cc3d679997b214337c945313828e497b [0,1,0,0,0,0|2,0,1]=4 3974 B10R0.74 CC[C@@H](C)NCCCCCF fb2153dcfa1728a26303d6c064b5885e [0,1,0,0,0,0|3,0,0]=4 3975 B10R0.74 CC[C@@H](C)NCCCCCO aaa5aeff2aed862877873e27029f2476 [0,1,0,0,0,0|3,0,0]=4 3976 B10R0.74 CC[C@@H](C)NCCCCOC cf86e210622e46a235ea79fa44ddb647 [0,1,0,0,0,0|3,0,0]=4 3977 B10R0.74 CC[C@@H](C)NCOCCOC 01a0d93f604d7d598d0bc0d7d64dde28 [0,1,0,0,0,0|2,0,0]=3 3978 B10R0.74 CC[C@@H](C)OCCCCCF fe7bde4b10b0c741125aafe39950f0b4 [0,1,0,0,0,0|3,0,0]=4 3979 B10R0.74 CC[C@@H](C)OCCCCOC 27719c27b555bb466cd80659ee9649c2 [0,1,0,0,0,0|3,0,0]=4 3980 B10R0.74 CC[C@@H](C)OCOCCOC 414508bc05bf91ee3c738130ebf8ab33 [0,1,0,0,0,0|2,0,0]=3 3981 B10R0.74 CC[C@@H](O)CNCCCC#N 35f473d02d08df180f7f66f493d34a80 [0,1,0,0,0,0|2,0,1]=4 3982 B10R0.74 CC[C@@H](O)CNCCCC=O 54bd7879ec0b623926a032493d977a3a [0,1,0,0,0,0|2,0,1]=4 3983 B10R0.74 CC[C@@H](O)CNCCCCF 99d76ba34c20eaa3569e7040d9b91d3b [0,1,0,0,0,0|2,0,0]=3 3984 B10R0.74 CC[C@@H](O)CNCCCCO 0356141b1b52f4b4c42fd80b40e2b607 [0,1,0,0,0,0|2,0,0]=3 3985 B10R0.74 CC[C@@H](O)CNCCCOC 6917ce6c36ed3ba1d71260115cca206a [0,1,0,0,0,0|2,0,0]=3 3986 B10R0.74 CC[C@@H](O)CNCCCSC b7394c0094a82fed9c10e59ecca9e218 [0,1,0,0,0,0|2,0,0]=3 3987 B10R0.74 CC[C@H](C)CCCCOCF 63d16f0c45cb3f273fb639c6199a87ea [0,1,0,0,0,0|3,0,0]=4 3988 B10R0.74 CC[C@H](C)CCCOCCF bee401b940762bbeba9b5b1bfc2d6f14 [0,1,0,0,0,0|3,0,0]=4 3989 B10R0.74 CC[C@H](C)CCCOCCS d210b5089ccb1c4603ce846fe197949f [0,1,0,0,0,0|3,0,0]=4 3990 B10R0.74 CC[C@H](C)CCCOCOC 59185bb560e9ca68aba026a3c769e94c [0,1,0,0,0,0|3,0,0]=4 3991 B10R0.74 CC[C@H](C)CCCOCSC fbbb22afe5a712d3224f36b2c7740426 [0,1,0,0,0,0|3,0,0]=4 3992 B10R0.74 CC[C@H](C)CCOC/C=C/Cl d2345f42439c210066763cda35740e87 [0,1,0,0,0,0|1,0,2]=4 3993 B10R0.74 CC[C@H](C)CCOC/C=C\Cl cf9c77f5cf49dbafd1ce2b6d5feac895 [0,1,0,0,0,0|1,0,2]=4 3994 B10R0.74 CC[C@H](C)CCOCCC#N 90103f97f3dff2d4cbe8b4cdd1d5620c [0,1,0,0,0,0|1,0,1]=3 3995 B10R0.74 CC[C@H](C)CCOCCC=O 2cff636914fc34179d69b6ad900f8d2b [0,1,0,0,0,0|1,0,1]=3 3996 B10R0.74 CC[C@H](C)CCOCCCF 099e12d26b1e665d7b0efe6dbdc60589 [0,1,0,0,0,0|1,0,0]=2 3997 B10R0.74 CC[C@H](C)CCOCCCS 990329958d5601b9fcd5212f75727e50 [0,1,0,0,0,0|1,0,0]=2 3998 B10R0.74 CC[C@H](C)CCOCCOC 1186266719a819af26c27812701041b7 [0,1,0,0,0,0|1,0,0]=2 3999 B10R0.74 CC[C@H](C)CCOCCSC e46d67288b01436612559991cec7882a [0,1,0,0,0,0|1,0,0]=2 4000 B10R0.74 CC[C@H](C)CCOCSC#N 2439f74d1b2ab4e044047b93c50f9058 [0,1,0,0,0,0|2,0,1]=4 4001 B10R0.74 CC[C@H](C)CNCCCC#N 82107ab8d38a2fa2288b286eeee56482 [0,1,0,0,0,0|2,0,1]=4 4002 B10R0.74 CC[C@H](C)CNCCCC=O 375407a76cb002897e1758cecd029266 [0,1,0,0,0,0|2,0,1]=4 4003 B10R0.74 CC[C@H](C)CNCCCCCl c4b774ff45b8c7edeb1488686a577d30 [0,1,0,0,0,0|2,0,0]=3 4004 B10R0.74 CC[C@H](C)CNCCCCF b3862b706064e15405f5bb0bdd3f9a01 [0,1,0,0,0,0|2,0,0]=3 4005 B10R0.74 CC[C@H](C)CNCCCCO 14bcc858bcf85807b669a9e163e2ff47 [0,1,0,0,0,0|2,0,0]=3 4006 B10R0.74 CC[C@H](C)CNCCCCS 7b9c602028830b843df353d34cd5ddfd [0,1,0,0,0,0|2,0,0]=3 4007 B10R0.74 CC[C@H](C)CNCCCOC 7c858c0bc25ba84ef9789b01bfedae3b [0,1,0,0,0,0|2,0,0]=3 4008 B10R0.74 CC[C@H](C)CNCCCSC a635519fb6bf147f1b7bd54fa89b4fc8 [0,1,0,0,0,0|2,0,0]=3 4009 B10R0.74 CC[C@H](C)COCCCC#N 80cd2971fa49d0018f7128dfbbe282fc [0,1,0,0,0,0|1,0,1]=3 4010 B10R0.74 CC[C@H](C)COCCCC=O 6e12c402433394cf89e2e0b92e15e1a1 [0,1,0,0,0,0|1,0,1]=3 4011 B10R0.74 CC[C@H](C)COCCCCF 35bc815c86121b44dda2105d32a28ab7 [0,1,0,0,0,0|1,0,0]=2 4012 B10R0.74 CC[C@H](C)COCCCCS bafeee3108a8d2e09f21acf286329671 [0,1,0,0,0,0|1,0,0]=2 4013 B10R0.74 CC[C@H](C)COCCCOC d9b4cb1b7b252cd517493050bb68ff7a [0,1,0,0,0,0|1,0,0]=2 4014 B10R0.74 CC[C@H](C)COCCCSC e02eadf8cb43bbf640282f492a3e7c22 [0,1,0,0,0,0|1,0,0]=2 4015 B10R0.74 CC[C@H](C)COCCNC=O 37dacd93a87f7f5224ec8d8e63ac6c3a [0,1,0,0,0,0|2,0,1]=4 4016 B10R0.74 CC[C@H](C)COCCOC=O 09b42eda3ced28489d1ca42f1d0f0152 [0,1,0,0,0,0|2,0,1]=4 4017 B10R0.74 CC[C@H](C)NCCCCCF a854e81f5707effa908262e1e87092d8 [0,1,0,0,0,0|3,0,0]=4 4018 B10R0.74 CC[C@H](C)NCCCCCO dbff4715f95689b70d43d454046f9210 [0,1,0,0,0,0|3,0,0]=4 4019 B10R0.74 CC[C@H](C)NCCCCOC 3756f4e23cb5824e8eedfe5bdd4aa49d [0,1,0,0,0,0|3,0,0]=4 4020 B10R0.74 CC[C@H](C)NCOCCOC c6f249aa8122c0727ee04d42c118de75 [0,1,0,0,0,0|2,0,0]=3 4021 B10R0.74 CC[C@H](C)OCCCCCF 91a7577f977af415fb6b736c966e0fff [0,1,0,0,0,0|3,0,0]=4 4022 B10R0.74 CC[C@H](C)OCCCCOC a3d2e080ef653b7977f65fcdc269a75a [0,1,0,0,0,0|3,0,0]=4 4023 B10R0.74 CC[C@H](C)OCOCCOC 74b8bff7b995c813a15eb201104ec2d4 [0,1,0,0,0,0|2,0,0]=3 4024 B10R0.74 CNC(=O)CCOCCCF 3bca7f4f198cad9d24ba307fbf8f76ee [0,1,0,0,0,0|2,0,1]=4 4025 B10R0.74 CNC(=O)CCOCCCS 5d9c11d8b0fa94717478c71f574f3259 [0,1,0,0,0,0|2,0,1]=4 4026 B10R0.74 CNC(=O)CCOCCOC 629412aabb318b29f10a8629f044ff87 [0,1,0,0,0,0|2,0,1]=4 4027 B10R0.74 CNC(=O)CCOCCSC d943354598e94d6d2e0f4823f550f7b5 [0,1,0,0,0,0|2,0,1]=4 4028 B10R0.74 CNC(=O)COCCCCF e5cfbbc391ea62dab369734de7797662 [0,1,0,0,0,0|2,0,1]=4 4029 B10R0.74 CNC(=O)COCCCCS a075a14b0bcbcbfb6ce87ed6511d6ff4 [0,1,0,0,0,0|2,0,1]=4 4030 B10R0.74 CNC(=O)COCCCOC dc096f5fcc789a980ca069c01dbc106a [0,1,0,0,0,0|2,0,1]=4 4031 B10R0.74 CNC(=O)COCCCSC dc98b6786fe09456fa85c8c4306d9803 [0,1,0,0,0,0|2,0,1]=4 4032 B10R0.74 COC(=O)CCOCCCF 0aefebceea2c1de4d61a01719abc4a0b [0,1,0,0,0,0|2,0,1]=4 4033 B10R0.74 COC(=O)CCOCCCS 5520c0b92e39a85c24dc627f637a0781 [0,1,0,0,0,0|2,0,1]=4 4034 B10R0.74 COC(=O)CCOCCSC fdd64bc9ba11e14400f289a9f49df6a4 [0,1,0,0,0,0|2,0,1]=4 4035 B10R0.74 COC(=O)COCCCCF 004fc87d8325e555e0ba69b8de39ce15 [0,1,0,0,0,0|2,0,1]=4 4036 B10R0.74 COC(=O)COCCCCS 66361017a5f0eedafd224c8fdcb3465c [0,1,0,0,0,0|2,0,1]=4 4037 B10R0.74 COC(=O)COCCCSC cccf2e9fa2ee0349c1d66b0bc4f29a76 [0,1,0,0,0,0|2,0,1]=4 4038 B10R0.74 COC(C)CCOCCC#N fe2ab0552dc9dda530dae622828667a6 [0,1,0,0,0,0|2,0,1]=4 4039 B10R0.74 COC(C)CCOCCC=O d03fdc8443a4008bb4f4e76640c1cb46 [0,1,0,0,0,0|2,0,1]=4 4040 B10R0.74 COC(C)CCOCCCF 32c986a01f36b1ecf020159aa0e45f3a [0,1,0,0,0,0|2,0,0]=3 4041 B10R0.74 COC(C)CCOCCCS 57dee0c214971c8009d3cb687417f043 [0,1,0,0,0,0|2,0,0]=3 4042 B10R0.74 COC(C)CCOCCSC aff0fccec208610cf63129394e417be3 [0,1,0,0,0,0|2,0,0]=3 4043 B10R0.74 COC(C)CNCCCCCl 96d3446ca9d85be6f8dbb537f81c8e43 [0,1,0,0,0,0|3,0,0]=4 4044 B10R0.74 COC(C)CNCCCCO 222425c34c85aab0b688b3d38efa5e65 [0,1,0,0,0,0|3,0,0]=4 4045 B10R0.74 COC(C)CNCCCCS 3fc6082e3fdf6a045e9fb44489a96454 [0,1,0,0,0,0|3,0,0]=4 4046 B10R0.74 COC(C)CNCCCSC 82b7b3a3d1ca6cd990824f251c394c3e [0,1,0,0,0,0|3,0,0]=4 4047 B10R0.74 COC(C)COCCCC#N 9f1897c04f2c807e51be034f1ec43d9c [0,1,0,0,0,0|2,0,1]=4 4048 B10R0.74 COC(C)COCCCC=O e87a160443f2aaf0c5b6d59e140f67c1 [0,1,0,0,0,0|2,0,1]=4 4049 B10R0.74 COC(C)COCCCCF 43cfa47be53768b09fe84a55ed663c1a [0,1,0,0,0,0|2,0,0]=3 4050 B10R0.74 COC(C)COCCCCS 401572a84708e8f810b69efd6fb462b9 [0,1,0,0,0,0|2,0,0]=3 4051 B10R0.74 COC(C)COCCCSC 5266865117f86837e1cd59bb702f9bba [0,1,0,0,0,0|2,0,0]=3 4052 B10R0.74 COCCCNCC(Br)CBr 790a53b7c9c4ee2336274320f43cdcf1 [0,1,0,0,0,0|3,0,0]=4 4053 B10R0.74 COCCCNCC(C)CO cca521671369e4a64bb996c8836ffb1f [0,1,0,0,0,0|3,0,0]=4 4054 B10R0.74 COCCCNCC(C)OC 80012c2a655f9c2d73c78f912791a6f0 [0,1,0,0,0,0|3,0,0]=4 4055 B10R0.74 COCCCNCC(F)CO 4626640a07f0d66dac5349d3ce460309 [0,1,0,0,0,0|3,0,0]=4 4056 B10R0.74 COCCCNCC(O)CF e4b1692faf43c436a869f4244418c95f [0,1,0,0,0,0|3,0,0]=4 4057 B10R0.74 COCCCNCC(O)CO 3a8cf74996c5d026dcf6a20ae0b3cff2 [0,1,0,0,0,0|3,0,0]=4 4058 B10R0.74 COCCCNC[C@@H](C)CO df7617778e181edda031450ae35cc769 [0,1,0,0,0,0|3,0,0]=4 4059 B10R0.74 COCCCNC[C@@H](C)OC ad448fe385eb2663331ecb02d11f04b1 [0,1,0,0,0,0|3,0,0]=4 4060 B10R0.74 COCCCNC[C@@H](F)CO ac652ac75a0d98d44b1c9e32c55cea8e [0,1,0,0,0,0|3,0,0]=4 4061 B10R0.74 COCCCNC[C@@H](O)CO c55a2e0e676eed31a7e5158e1357bee8 [0,1,0,0,0,0|3,0,0]=4 4062 B10R0.74 COCCCNC[C@H](C)CO f71ec284aa56ccc4dc7e5b485f930cdb [0,1,0,0,0,0|3,0,0]=4 4063 B10R0.74 COCCCNC[C@H](C)OC 10b4ee214cd66efe7d168df9e4393a46 [0,1,0,0,0,0|3,0,0]=4 4064 B10R0.74 COCCCNC[C@H](F)CO def03b99d0796c430a4b355a3a15968a [0,1,0,0,0,0|3,0,0]=4 4065 B10R0.74 COCCCNC[C@H](O)CO 9626b2f3b7325b627ad346b83f356a78 [0,1,0,0,0,0|3,0,0]=4 4066 B10R0.74 COCCCOCC(=O)OC d608caa140492e0b0fcb94dda1926cf5 [0,1,0,0,0,0|2,0,1]=4 4067 B10R0.74 COCCCOCC(Br)CBr 6266770c481ec2950c4306dabbd3c947 [0,1,0,0,0,0|2,0,0]=3 4068 B10R0.74 COCCCOCC(C)C#N 510294aba7f0261a6fc63a65ce8fb8b7 [0,1,0,0,0,0|2,0,1]=4 4069 B10R0.74 COCCCOCC(C)OC 4d151a81b26347b71ad327cd0d394f44 [0,1,0,0,0,0|2,0,0]=3 4070 B10R0.74 COCCCOCC(Cl)CCl 64cb5bd6127885ccd409499c8ba2933d [0,1,0,0,0,0|2,0,0]=3 4071 B10R0.74 COCCCOCC(O)CO c8809ce56bdc72209d125afc179ab6e4 [0,1,0,0,0,0|2,0,0]=3 4072 B10R0.74 COCCCOCC(S)CS 56839cbacd43673945d0d03c9a40e141 [0,1,0,0,0,0|2,0,0]=3 4073 B10R0.74 COCCCOC[C@@H](C)OC 78f30d3bb3c9702dfb67c9d152aa4746 [0,1,0,0,0,0|2,0,0]=3 4074 B10R0.74 COCCCOC[C@@H](O)CO 61519066e619836ffb978589fdccfecd [0,1,0,0,0,0|2,0,0]=3 4075 B10R0.74 COCCCOC[C@H](C)OC dae0233806fafaedff634ef960fda010 [0,1,0,0,0,0|2,0,0]=3 4076 B10R0.74 COCCCOC[C@H](O)CO 4ff87e29bc9ddd3759eef0a1ba31edfa [0,1,0,0,0,0|2,0,0]=3 4077 B10R0.74 COCCNCCC(C)CO c6d50cbff02e8efffa8630abbda1d184 [0,1,0,0,0,0|3,0,0]=4 4078 B10R0.74 COCCNCCC(O)CO 5b3ad1f7486a6f852ca50eea648aad83 [0,1,0,0,0,0|3,0,0]=4 4079 B10R0.74 COCCNCC[C@@H](C)CO c30035f155d56db7cdc54192d78d77c4 [0,1,0,0,0,0|3,0,0]=4 4080 B10R0.74 COCCOCCC(=O)OC 9517e4d9c854e0a6d5b0b99ca928d942 [0,1,0,0,0,0|2,0,1]=4 4081 B10R0.74 COCCOCCC(C)OC 2dba2fb6bfe0674b6a142a716b2e4c09 [0,1,0,0,0,0|2,0,0]=3 4082 B10R0.74 COCCOCCN(C)CF 53f5a4d03ab2acfcf122b47caddd4888 [0,1,0,0,0,0|3,0,0]=4 4083 B10R0.74 COCCOCCN(C)CO a89dfd11da62b7dff1c1d6db0b4cbfcf [0,1,0,0,0,0|3,0,0]=4 4084 B10R0.74 COCCOCNC(C)CO 7719680e526d361ee8472ffba5a9f949 [0,1,0,0,0,0|3,0,0]=4 4085 B10R0.74 COCCOCN[C@@H](C)CO 0ce16a84556ebf4ac36eb4879431bb94 [0,1,0,0,0,0|3,0,0]=4 4086 B10R0.74 COCCOCN[C@H](C)CO 7384ccc359955502056f70fca13d4667 [0,1,0,0,0,0|3,0,0]=4 4087 B10R0.74 COCCOCOC(C)CF f85b98c9543d53ea6b93e71a7499f1c7 [0,1,0,0,0,0|3,0,0]=4 4088 B10R0.74 CO[C@@H](C)CNCCCCCl 279536600a37b121ecffa874b50317cf [0,1,0,0,0,0|3,0,0]=4 4089 B10R0.74 CO[C@@H](C)CNCCCCF c2cbcceee6646796470de4c85da23f26 [0,1,0,0,0,0|3,0,0]=4 4090 B10R0.74 CO[C@@H](C)CNCCCCO a1fef421c1e45b32e0afea87571a1323 [0,1,0,0,0,0|3,0,0]=4 4091 B10R0.74 CO[C@@H](C)CNCCCCS c0f889231f96e8f9312223abb29a78b9 [0,1,0,0,0,0|3,0,0]=4 4092 B10R0.74 CO[C@@H](C)CNCCCSC b5d134a0bc19fd682b88d833a7efd2b3 [0,1,0,0,0,0|3,0,0]=4 4093 B10R0.74 CO[C@@H](C)COCCCC#N 6e88c96aaa0eaf91a096af5733bf9bc3 [0,1,0,0,0,0|2,0,1]=4 4094 B10R0.74 CO[C@@H](C)COCCCC=O bfff454f4b35cf166735347a261d8a54 [0,1,0,0,0,0|2,0,1]=4 4095 B10R0.74 CO[C@@H](C)COCCCCF 7b1ba15cb67cc9a47ba6931aa0aceb22 [0,1,0,0,0,0|2,0,0]=3 4096 B10R0.74 CO[C@@H](C)COCCCCS f5ff5b3534029be584ebc4ce7a797192 [0,1,0,0,0,0|2,0,0]=3 4097 B10R0.74 CO[C@@H](C)COCCCSC 39f11b3b1e3f07c8608356c3ec97f7b3 [0,1,0,0,0,0|2,0,0]=3 4098 B10R0.74 CO[C@H](C)CNCCCCCl 0e691accb394813a816fd474e6dd4470 [0,1,0,0,0,0|3,0,0]=4 4099 B10R0.74 CO[C@H](C)CNCCCCF 0d8ea9522e6c2a7a645d5f831ce2e69d [0,1,0,0,0,0|3,0,0]=4 4100 B10R0.74 CO[C@H](C)CNCCCCO ffa917823d069637d95a0c9abd5a2cfc [0,1,0,0,0,0|3,0,0]=4 4101 B10R0.74 CO[C@H](C)CNCCCCS e6bfe912e2899236114bbd48f6e244b3 [0,1,0,0,0,0|3,0,0]=4 4102 B10R0.74 CO[C@H](C)CNCCCSC a8b96d242e65d364c635e15ed5c0bd76 [0,1,0,0,0,0|3,0,0]=4 4103 B10R0.74 CO[C@H](C)COCCCC#N c2f8193564d7157847024c8b961cfe29 [0,1,0,0,0,0|2,0,1]=4 4104 B10R0.74 CO[C@H](C)COCCCC=O c6376ad80fe81d6882d5e9842ecb04a3 [0,1,0,0,0,0|2,0,1]=4 4105 B10R0.74 CO[C@H](C)COCCCCF 4edbda4501fc4591b80d80a38a6e1270 [0,1,0,0,0,0|2,0,0]=3 4106 B10R0.74 CO[C@H](C)COCCCCS 9024ff35f5701fd06be84992467e93f3 [0,1,0,0,0,0|2,0,0]=3 4107 B10R0.74 CO[C@H](C)COCCCSC bb68b5ec7018c78af57ea5f85ba39ce4 [0,1,0,0,0,0|2,0,0]=3 4108 B10R0.74 CSCCCNCC(Br)CBr 2d006cbd21171efd6e40b77b88a6a0ab [0,1,0,0,0,0|3,0,0]=4 4109 B10R0.74 CSCCCNCC(C)CO 1b600527f85cfac905f4f00686b619d8 [0,1,0,0,0,0|3,0,0]=4 4110 B10R0.74 CSCCCNCC(F)CO cb2af56ec18aebc8ab1ffca96d9d1a50 [0,1,0,0,0,0|3,0,0]=4 4111 B10R0.74 CSCCCNCC(O)CF 8c732af997cb6ec389adb0e256fc4c2f [0,1,0,0,0,0|3,0,0]=4 4112 B10R0.74 CSCCCNCC(O)CO dd3240427216492afc42a1d2ace02c9f [0,1,0,0,0,0|3,0,0]=4 4113 B10R0.74 CSCCCNC[C@@H](C)CO c921d8e2681322be79ed45b14c4b640a [0,1,0,0,0,0|3,0,0]=4 4114 B10R0.74 CSCCCNC[C@@H](F)CO 781055677cf14ca1f7973720713e0883 [0,1,0,0,0,0|3,0,0]=4 4115 B10R0.74 CSCCCNC[C@@H](O)CO 10ce1b29b1e170213776c5c97de1b2bc [0,1,0,0,0,0|3,0,0]=4 4116 B10R0.74 CSCCCNC[C@H](C)CO df1ad000f117e2b2e015939871824097 [0,1,0,0,0,0|3,0,0]=4 4117 B10R0.74 CSCCCNC[C@H](F)CO 6e482fa92e7e86e9548298a301120cd7 [0,1,0,0,0,0|3,0,0]=4 4118 B10R0.74 CSCCCNC[C@H](O)CO 2783b19fa1f6dcfbcafbb57679c7517a [0,1,0,0,0,0|3,0,0]=4 4119 B10R0.74 CSCCCOCC(Br)CBr 58cc7263636f69d996c3ecfe7a4dc08e [0,1,0,0,0,0|2,0,0]=3 4120 B10R0.74 CSCCCOCC(C)C#N d709d63d446baf028d302f12f162f70a [0,1,0,0,0,0|2,0,1]=4 4121 B10R0.74 CSCCCOCC(Cl)CCl 49184dc68e0851c1a02d15d2035752b1 [0,1,0,0,0,0|2,0,0]=3 4122 B10R0.74 CSCCCOCC(O)CO d49bb0a33844ad74ab74a2d19f10a7f8 [0,1,0,0,0,0|2,0,0]=3 4123 B10R0.74 CSCCCOCC(S)CS 522518751e13efbe9f3923a30ccebd08 [0,1,0,0,0,0|2,0,0]=3 4124 B10R0.74 CSCCCOC[C@@H](O)CO 4b6d8e5c819bfeb1813a156a423811f8 [0,1,0,0,0,0|2,0,0]=3 4125 B10R0.74 CSCCCOC[C@H](O)CO a5050d01beb5f1c3c82967d2fe070511 [0,1,0,0,0,0|2,0,0]=3 4126 B10R0.74 CSCCNCCC(C)CO c5a39c93f6f79196ace231bf31b44361 [0,1,0,0,0,0|3,0,0]=4 4127 B10R0.74 CSCCNCCC(O)CO 9854c72412633c6b5d5529179afd0808 [0,1,0,0,0,0|3,0,0]=4 4128 B10R0.74 CSCCNCC[C@@H](C)CO baed3df4a26423c3f06fd7e8e2e8aac3 [0,1,0,0,0,0|3,0,0]=4 4129 B10R0.74 C[C@@H](CO)CCNCCCF ab5d62c6b37216eb2f10f6ce909fd551 [0,1,0,0,0,0|3,0,0]=4 4130 B10R0.74 C[C@@H](CO)CCNCCCO 5c03c9d6dfd0ff3781b0a7233e59a2c1 [0,1,0,0,0,0|3,0,0]=4 4131 B10R0.74 C[C@@H](CO)CCNCCCS ac91de30bee461a82da72783df01d690 [0,1,0,0,0,0|3,0,0]=4 4132 B10R0.74 C[C@@H](CO)CNCCCCCl 4c67f10a9c0c77df7c7e7d1c1564e0a8 [0,1,0,0,0,0|3,0,0]=4 4133 B10R0.74 C[C@@H](CO)CNCCCCO de1f3ec3a5443e5682c120807bd1c595 [0,1,0,0,0,0|3,0,0]=4 4134 B10R0.74 C[C@@H](CO)CNCCCCS 6f76eea562dc0e04520c3f1deed6cfce [0,1,0,0,0,0|3,0,0]=4 4135 B10R0.74 C[C@H](CO)CNCCCCCl 2bdd9e3a7925e2d53d89c42bf947c90f [0,1,0,0,0,0|3,0,0]=4 4136 B10R0.74 C[C@H](CO)CNCCCCF 2feb5d8d8d7e407b7e75a0aa59476d2c [0,1,0,0,0,0|3,0,0]=4 4137 B10R0.74 C[C@H](CO)CNCCCCO 4c43211ff21239b162a84e3c610fe8f1 [0,1,0,0,0,0|3,0,0]=4 4138 B10R0.74 C[C@H](CO)CNCCCCS a541b9107fa984616c5b4f3c7e0264de [0,1,0,0,0,0|3,0,0]=4 4139 B10R0.74 FCCCCNCC(Br)CBr be01ff2d3571b0418f6ec204fb299a2a [0,1,0,0,0,0|3,0,0]=4 4140 B10R0.74 FCCCCOCC(Br)CBr 370b3e17d0078c7700750ad83201aaa7 [0,1,0,0,0,0|2,0,0]=3 4141 B10R0.74 FCCCCOCC(Cl)CCl e39c187b903c1b0281529f98c017b9f9 [0,1,0,0,0,0|2,0,0]=3 4142 B10R0.74 FCCCCOCC(S)CS 5ea93d73d111956f4a13a079cfde91bb [0,1,0,0,0,0|2,0,0]=3 4143 B10R0.74 N#CCCCOCC(Br)CBr 2b0a5461147cef9ba5df296c63e8e26b [0,1,0,0,0,0|2,0,1]=4 4144 B10R0.74 N#CCCCOCC(Cl)CCl c37721a39b60504ca7b4ea1c66ed4fcc [0,1,0,0,0,0|2,0,1]=4 4145 B10R0.74 N#CCCCOCC(O)CO 3d15c8231066ecfe3d3238c5d822a5f6 [0,1,0,0,0,0|2,0,1]=4 4146 B10R0.74 N#CCCCOCC(S)CS 1548589c5385c2043126f81affcdf723 [0,1,0,0,0,0|2,0,1]=4 4147 B10R0.74 N#CCCCOC[C@@H](O)CO 424300539e6e4ba40c848b76f2b138c1 [0,1,0,0,0,0|2,0,1]=4 4148 B10R0.74 N#CCCCOC[C@H](O)CO a4360b607f38e883c3908cb7263549ff [0,1,0,0,0,0|2,0,1]=4 4149 B10R0.74 O=CCCCOCC(Br)CBr 1b8b2b2a697c84e5f263f2bfb532d74f [0,1,0,0,0,0|2,0,1]=4 4150 B10R0.74 O=CCCCOCC(Cl)CCl 122ccc244344bc17fb78891a5d9d406f [0,1,0,0,0,0|2,0,1]=4 4151 B10R0.74 O=CCCCOCC(O)CO b80e2bd48e2420c675ac055313cffbe0 [0,1,0,0,0,0|2,0,1]=4 4152 B10R0.74 O=CCCCOCC(S)CS 1f46111b2c80851825b38e9e1903aa46 [0,1,0,0,0,0|2,0,1]=4 4153 B10R0.74 O=CCCCOC[C@@H](O)CO e23439b26e194fac001cdbe7c3e4bd9c [0,1,0,0,0,0|2,0,1]=4 4154 B10R0.74 O=CCCCOC[C@H](O)CO 366f323645728cb130e2c38cf5184efb [0,1,0,0,0,0|2,0,1]=4 4155 B10R0.74 OC(CF)CNCCCCCl 5b1bdb43567d7e6e414666ae19d42119 [0,1,0,0,0,0|3,0,0]=4 4156 B10R0.74 OC(CF)CNCCCCS b74de6c45d2d4fb098841dcd45caa41c [0,1,0,0,0,0|3,0,0]=4 4157 B10R0.74 OCC(F)CNCCCCF a61c4b39407eaa4052da55e3219ec3e1 [0,1,0,0,0,0|3,0,0]=4 4158 B10R0.74 OCC(O)CCNCCCF 67d31a630ac7e50c9075ee9b231ec7c3 [0,1,0,0,0,0|3,0,0]=4 4159 B10R0.74 OCC(O)CCNCCCS b83a21b24743559976f86ce10ae3bb04 [0,1,0,0,0,0|3,0,0]=4 4160 B10R0.74 OCC(O)CNCCCCCl 78ab99adef3a433ffb2967e092dafb12 [0,1,0,0,0,0|3,0,0]=4 4161 B10R0.74 OCC(O)CNCCCCF 538745f804e03db8ccf5feb3ae53e61c [0,1,0,0,0,0|3,0,0]=4 4162 B10R0.74 OCC(O)CNCCCCS 6a4c29267d7d250be7bdc956342e91ac [0,1,0,0,0,0|3,0,0]=4 4163 B10R0.74 OCC(O)COCCCCF 1a87b6c03f2375cc52cfcdb8911ec940 [0,1,0,0,0,0|2,0,0]=3 4164 B10R0.74 OCC(O)COCCCCS 6e84832c71df82e7d9688a9c0a9f3046 [0,1,0,0,0,0|2,0,0]=3 4165 B10R0.74 OCCCCNCC(Br)CBr 771453d5e891fe0a72f0b505e5c79495 [0,1,0,0,0,0|3,0,0]=4 4166 B10R0.74 OCCCCNCC(F)CO 6113acfa2b278c22d4a1d919cd9abd8c [0,1,0,0,0,0|3,0,0]=4 4167 B10R0.74 OCCCCNCC(O)CF 09e8828635a83a3859b47932e039aeed [0,1,0,0,0,0|3,0,0]=4 4168 B10R0.74 OCCCCNCC(O)CO 12ba38b18bfa650fde7ba376707b15f9 [0,1,0,0,0,0|3,0,0]=4 4169 B10R0.74 OCCCCNC[C@@H](F)CO eabdbb4c7534e14dd9665dc6c48a29c4 [0,1,0,0,0,0|3,0,0]=4 4170 B10R0.74 OCCCCNC[C@@H](O)CO 503d8d5d71074f3b310e0049f8487f0a [0,1,0,0,0,0|3,0,0]=4 4171 B10R0.74 OCCCCNC[C@H](F)CO f816c0a6abef3a2eecd91c3a9a3b03b3 [0,1,0,0,0,0|3,0,0]=4 4172 B10R0.74 OCCCCNC[C@H](O)CO 41aa2e96024bdf2940b9772185295269 [0,1,0,0,0,0|3,0,0]=4 4173 B10R0.74 OCCCNCCC(O)CO 8c03ba4f8a17adf0c85dc5c1874cfdde [0,1,0,0,0,0|3,0,0]=4 4174 B10R0.74 OC[C@@H](F)CNCCCCF 87255e6d61a1b5ee06ec82d5734342cf [0,1,0,0,0,0|3,0,0]=4 4175 B10R0.74 OC[C@@H](O)CNCCCCCl c3beaf7cb7103289f07a48e7a88e566c [0,1,0,0,0,0|3,0,0]=4 4176 B10R0.74 OC[C@@H](O)CNCCCCF 95db96484dd66fcda0c78d0d06535498 [0,1,0,0,0,0|3,0,0]=4 4177 B10R0.74 OC[C@@H](O)CNCCCCS 7838f2683656161928f07f8dfa338018 [0,1,0,0,0,0|3,0,0]=4 4178 B10R0.74 OC[C@@H](O)COCCCCF c2f564c56364c3deba1b826386e47ade [0,1,0,0,0,0|2,0,0]=3 4179 B10R0.74 OC[C@@H](O)COCCCCS bdba01539c075dacc8dddbe8b449738e [0,1,0,0,0,0|2,0,0]=3 4180 B10R0.74 OC[C@H](F)CNCCCCF c85adcbbd513956f0cfec173aed753be [0,1,0,0,0,0|3,0,0]=4 4181 B10R0.74 OC[C@H](O)CNCCCCCl 037dc8d9e00c8dfbad6fb09d5e4053e8 [0,1,0,0,0,0|3,0,0]=4 4182 B10R0.74 OC[C@H](O)CNCCCCF 7a409e3989682d7aab585e9806cb5294 [0,1,0,0,0,0|3,0,0]=4 4183 B10R0.74 OC[C@H](O)CNCCCCS cb043578d529249c8b9cb6ab8e86e67f [0,1,0,0,0,0|3,0,0]=4 4184 B10R0.74 OC[C@H](O)COCCCCF 2d64be3a6097096f7b72bc9e0127ccdf [0,1,0,0,0,0|2,0,0]=3 4185 B10R0.74 OC[C@H](O)COCCCCS 7348905abbfe8caa1305aa7b7e028fa3 [0,1,0,0,0,0|2,0,0]=3 4186 B10R0.91 C#CCCCN(C)CCCC 1d11cdf2b8d5645673ea4abcb2eaaf00 [0,1,0,0,0,0|1,0,2]=4 4187 B10R0.91 C#CCCN(C)CCCCC fa4ead0e99e61bfa0833f973d3bf30c5 [0,1,0,0,0,0|1,0,2]=4 4188 B10R0.91 C#CCCNC(C)CCCC 1194af587456f4ffde72db56d94de922 [0,1,0,0,0,0|1,0,2]=4 4189 B10R0.91 C#CCCN[C@H](C)CCCC f015f44b9196befad43645ea9cfa3287 [0,1,0,0,0,0|1,0,2]=4 4190 B10R0.91 C#CCCOC(C)CCCC 9e2e78118df9436c1a6765e6dc8aac45 [0,1,0,0,0,0|0,0,2]=3 4191 B10R0.91 C#CCCOC(C)CCOC 877f0a7af0cc1e24c34da8dc3d0be408 [0,1,0,0,0,0|1,0,2]=4 4192 B10R0.91 C#CCCOC(C)CCSC cf13c5f74a4b3f1f015c69889cd46db3 [0,1,0,0,0,0|1,0,2]=4 4193 B10R0.91 C#CCCOC(C)COCC c9955380e4923705d7249c23ce6a55ce [0,1,0,0,0,0|1,0,2]=4 4194 B10R0.91 C#CCCO[C@@H](C)CCCC 1402dbaa9495fb61578014d168c4fa43 [0,1,0,0,0,0|0,0,2]=3 4195 B10R0.91 C#CCCO[C@H](C)CCCC cd4443c94fe6d9b29b882027c1e87f16 [0,1,0,0,0,0|0,0,2]=3 4196 B10R0.91 C/C=C/CN(C)CCCCC b643bb30cb7e9977df41b277f79cc54b [0,1,0,0,0,0|1,0,2]=4 4197 B10R0.91 C/C=C/CNC(C)CCCC c768e005aaa029fe969ee330232516fa [0,1,0,0,0,0|1,0,2]=4 4198 B10R0.91 C/C=C/CN[C@H](C)CCCC 8280d151c28b1c2a87fd5e1f79807869 [0,1,0,0,0,0|1,0,2]=4 4199 B10R0.91 C/C=C/COC(C)CCCC 7805197790e1cd20e24e2590772b13ff [0,1,0,0,0,0|0,0,2]=3 4200 B10R0.91 C/C=C/COC(C)CCOC 69612b6c7681993570ae4faf16643dfe [0,1,0,0,0,0|1,0,2]=4 4201 B10R0.91 C/C=C/COC(C)CCSC ef9d15511c965c61afefe2bdac00f41a [0,1,0,0,0,0|1,0,2]=4 4202 B10R0.91 C/C=C/COC(C)COCC cadcaa57ea693584ae9e484bec7fc265 [0,1,0,0,0,0|1,0,2]=4 4203 B10R0.91 C/C=C/CO[C@@H](C)CCCC 9a554e267dffbe67e601644b9c99c569 [0,1,0,0,0,0|0,0,2]=3 4204 B10R0.91 C/C=C/CO[C@H](C)CCCC e64769a5195eae2a7dd7850d6a7e6ad7 [0,1,0,0,0,0|0,0,2]=3 4205 B10R0.91 C/C=C\CN(C)CCCCC 177287e1a7956982e54aea0b21af892f [0,1,0,0,0,0|1,0,2]=4 4206 B10R0.91 C/C=C\CNC(C)CCCC 9b9b232bf5c2f7a67294c432f2479aa9 [0,1,0,0,0,0|1,0,2]=4 4207 B10R0.91 C/C=C\CN[C@H](C)CCCC 2a174dc47fd0077606add2cb9a788d21 [0,1,0,0,0,0|1,0,2]=4 4208 B10R0.91 C/C=C\COC(C)CCCC 0e0fc461c4d5efc29c2851a81d8d701f [0,1,0,0,0,0|0,0,2]=3 4209 B10R0.91 C/C=C\COC(C)CCOC 5a99498f7e7fd58d035c721f75311814 [0,1,0,0,0,0|1,0,2]=4 4210 B10R0.91 C/C=C\COC(C)CCSC b050ef75dfb4c014fa0b02cd8734f9a7 [0,1,0,0,0,0|1,0,2]=4 4211 B10R0.91 C/C=C\COC(C)COCC 260d04c4995f417dcc78e76309071a4d [0,1,0,0,0,0|1,0,2]=4 4212 B10R0.91 C/C=C\CO[C@@H](C)CCCC 64c1e64c78ef97ae710aa96e8b9ba587 [0,1,0,0,0,0|0,0,2]=3 4213 B10R0.91 C/C=C\CO[C@H](C)CCCC 5bcdb3d12b2edc99cd74d01d2dd8cf1c [0,1,0,0,0,0|0,0,2]=3 4214 B10R0.91 C=CCCC(C)NCCCC 39324d8b2bf9a6d6ecdf1b11b9095afc [0,1,0,0,0,0|1,0,2]=4 4215 B10R0.91 C=CCCC(C)OCCCC d67aee06cb8ddc7d206ae6b1d891bd14 [0,1,0,0,0,0|0,0,2]=3 4216 B10R0.91 C=CCCC(C)OCCCF 6deda9651587de2cd767a251ae5adb1e [0,1,0,0,0,0|1,0,2]=4 4217 B10R0.91 C=CCCC(C)OCCCS 728f90917cf64a3836a20371ff4f9908 [0,1,0,0,0,0|1,0,2]=4 4218 B10R0.91 C=CCCC(C)OCCOC bd287ca29ff858077a3a21b48099b6d1 [0,1,0,0,0,0|1,0,2]=4 4219 B10R0.91 C=CCCC(C)OCCSC 8de101bba7d3c1d70de12f63841150ba [0,1,0,0,0,0|1,0,2]=4 4220 B10R0.91 C=CCCC(C)OCOCC 9438619b1fe5541e73682431565f2a0d [0,1,0,0,0,0|1,0,2]=4 4221 B10R0.91 C=CCCCN(C)CCCC ef6450677b6ae8ac5b94dc0d8370c84d [0,1,0,0,0,0|1,0,2]=4 4222 B10R0.91 C=CCCN(C)CCCCC 600d11d4b28de1fa6d1d48bd67106e34 [0,1,0,0,0,0|1,0,2]=4 4223 B10R0.91 C=CCCNC(C)CCCC 524a6905b4fb3ad557e554b56cd865f5 [0,1,0,0,0,0|1,0,2]=4 4224 B10R0.91 C=CCCN[C@H](C)CCCC 8d9d5bcb7d58cd008a39f44d12ef9be5 [0,1,0,0,0,0|1,0,2]=4 4225 B10R0.91 C=CCCOC(C)CCCC a8ffb06f7884ec4652ba038ab7a86333 [0,1,0,0,0,0|0,0,2]=3 4226 B10R0.91 C=CCCOC(C)CCOC 21000445bdbaac5a0341646150d12acb [0,1,0,0,0,0|1,0,2]=4 4227 B10R0.91 C=CCCOC(C)CCSC 16efebc42eb8fd0229aeab44006107d7 [0,1,0,0,0,0|1,0,2]=4 4228 B10R0.91 C=CCCOC(C)COCC 169a7719a95d8e125f8959fb639ec9c5 [0,1,0,0,0,0|1,0,2]=4 4229 B10R0.91 C=CCCO[C@@H](C)CCCC 747e3d8a47aa140b373edf9c462ba99a [0,1,0,0,0,0|0,0,2]=3 4230 B10R0.91 C=CCCO[C@H](C)CCCC a475446fa0e4e38dbc246d8faf0aaff6 [0,1,0,0,0,0|0,0,2]=3 4231 B10R0.91 C=CCC[C@@H](C)OCCCC bb027b272eddd88a3b4aecc3b22414c9 [0,1,0,0,0,0|0,0,2]=3 4232 B10R0.91 C=CCC[C@@H](C)OCCCF d915c22716cddf23475f8a9707ac3ccb [0,1,0,0,0,0|1,0,2]=4 4233 B10R0.91 C=CCC[C@@H](C)OCCCS 6c78130547b51a3f2cc9ab9182565912 [0,1,0,0,0,0|1,0,2]=4 4234 B10R0.91 C=CCC[C@@H](C)OCCOC 2caa56d85987c6a9002d7cd3f16eed39 [0,1,0,0,0,0|1,0,2]=4 4235 B10R0.91 C=CCC[C@@H](C)OCCSC a3a229bdc899e6ba6e4b39d731d2bf12 [0,1,0,0,0,0|1,0,2]=4 4236 B10R0.91 C=CCC[C@@H](C)OCOCC e0813b9750e8423c228ad5df92df0b05 [0,1,0,0,0,0|1,0,2]=4 4237 B10R0.91 CC#CCNC(C)CCCC ac6725d3b89b129a528cb902aa3a547c [0,1,0,0,0,0|1,0,2]=4 4238 B10R0.91 CC#CCOC(C)CCCC a2d0c83526b9f9c505fe238c89ae0f54 [0,1,0,0,0,0|0,0,2]=3 4239 B10R0.91 CC(CCC#N)OCCCF 500496dc78bbe5ddf41f08eb04cda7cc [0,1,0,0,0,0|2,0,1]=4 4240 B10R0.91 CC(CCC#N)OCCCS b0d47555bf3be3cf0937a9b79242aaaa [0,1,0,0,0,0|2,0,1]=4 4241 B10R0.91 CC(CCCO)NCCCCl fc4c81b196780124f18d07e87e6ac39d [0,1,0,0,0,0|3,0,0]=4 4242 B10R0.91 CC(CCCO)NCCCF 89228656c474dd30830387b49df588d4 [0,1,0,0,0,0|3,0,0]=4 4243 B10R0.91 CC(CCCO)NCCCO 6211c2d8a6ca714115344492e0173988 [0,1,0,0,0,0|3,0,0]=4 4244 B10R0.91 CC(CCCO)NCCCS b1ef86cfc86ebd7860c8d4aec97946c9 [0,1,0,0,0,0|3,0,0]=4 4245 B10R0.91 CC/C=C/CN(C)CCCC 2fc762324afa6bea41fb0cbf544fa6de [0,1,0,0,0,0|1,0,2]=4 4246 B10R0.91 CC=CCNC(C)CCCC 9a7f154aebf067005aa5032e616b1150 [0,1,0,0,0,0|1,0,2]=4 4247 B10R0.91 CC=CCOC(C)CCCC 7921c31dab6b7d7442432f4b9b30ae0d [0,1,0,0,0,0|0,0,2]=3 4248 B10R0.91 CCC#CC(C)OCCCC dfd1226b852e40ac3c4952e40b6fb534 [0,1,0,0,0,0|0,0,2]=3 4249 B10R0.91 CCC#CC(C)OCCCF e820c930fe5ada844d370252693192b7 [0,1,0,0,0,0|1,0,2]=4 4250 B10R0.91 CCC#CC(C)OCCCS adbb94db314d8dcdfb7e598006fd6b5b [0,1,0,0,0,0|1,0,2]=4 4251 B10R0.91 CCC#CC(C)OCCOC 6de7d293c08fb5fff8d73f483aa09779 [0,1,0,0,0,0|1,0,2]=4 4252 B10R0.91 CCC#CC(C)OCCSC 9bfa38de84ac9ecb3e0fc006eaf774a1 [0,1,0,0,0,0|1,0,2]=4 4253 B10R0.91 CCC#CC(C)OCOCC 123b367acee881693e4ea8a2ca2763d0 [0,1,0,0,0,0|1,0,2]=4 4254 B10R0.91 CCCCC(=O)NCCCCl 33a4b5638fdb717aefdcf6539c550173 [0,1,0,0,0,0|2,0,1]=4 4255 B10R0.91 CCCCC(=O)NCCCO a506e03803236b22b3ae12611eccbe7c [0,1,0,0,0,0|2,0,1]=4 4256 B10R0.91 CCCCC(=O)NCCOC 5ea5ee64f6f2aa6ec9332a0ab051832d [0,1,0,0,0,0|2,0,1]=4 4257 B10R0.91 CCCCC(=O)NCCSC 8fb8629ea12736b986b6b7c52fdb4519 [0,1,0,0,0,0|2,0,1]=4 4258 B10R0.91 CCCCC(C)CCOCC dcfcf3050acc252f88392f069e85bccb [0,1,0,0,0,0|2,0,0]=3 4259 B10R0.91 CCCCC(C)CCOCF b7e71c77fdbc28efb33562cfc70887da [0,1,0,0,0,0|3,0,0]=4 4260 B10R0.91 CCCCC(C)COCCC 78887e02645acac996820306d15e15f3 [0,1,0,0,0,0|2,0,0]=3 4261 B10R0.91 CCCCC(C)COCCF 20df3307f0a8222860c0cfff75c80804 [0,1,0,0,0,0|3,0,0]=4 4262 B10R0.91 CCCCC(C)COCCS 141f461614ee99e0f8f85bc64b717c23 [0,1,0,0,0,0|3,0,0]=4 4263 B10R0.91 CCCCC(C)COCOC 4d023efc80f7988cf268264b06a030a5 [0,1,0,0,0,0|3,0,0]=4 4264 B10R0.91 CCCCC(C)COCSC aa5195fcd89e7e09a2f004fd9f9b6e7e [0,1,0,0,0,0|3,0,0]=4 4265 B10R0.91 CCCCC(C)NCCC#N 98241b042fe0557e17a0ce341cc571ad [0,1,0,0,0,0|2,0,1]=4 4266 B10R0.91 CCCCC(C)NCCC=O 40ce8e1086866b528d60f936aad961c1 [0,1,0,0,0,0|2,0,1]=4 4267 B10R0.91 CCCCC(C)NCCCCl a560f4d48c7d5172923564a10c7a175f [0,1,0,0,0,0|2,0,0]=3 4268 B10R0.91 CCCCC(C)NCCCF 689b709ebd4a6360c64990635cea47eb [0,1,0,0,0,0|2,0,0]=3 4269 B10R0.91 CCCCC(C)NCCCO 5ec5ee2dcd2c7a4bb3afd5d7d3524b92 [0,1,0,0,0,0|2,0,0]=3 4270 B10R0.91 CCCCC(C)NCCCS c446ea15715162f858b6077360c8445d [0,1,0,0,0,0|2,0,0]=3 4271 B10R0.91 CCCCC(C)NCCOC 705bbdf606869cdc081663dbc9ae0ee6 [0,1,0,0,0,0|2,0,0]=3 4272 B10R0.91 CCCCC(C)NCCON d7ee76dd64b2bbaf8f7553185216d1a3 [0,1,0,0,0,0|3,0,0]=4 4273 B10R0.91 CCCCC(C)NCCSC 337078d7ecffae212da59e0374f62bd9 [0,1,0,0,0,0|2,0,0]=3 4274 B10R0.91 CCCCC(C)NCOCC 23b988c879ed639dda502764c73d8612 [0,1,0,0,0,0|2,0,0]=3 4275 B10R0.91 CCCCC(C)OC/C=C/Cl 7d60743b62c093c6ed22578d6157f14f [0,1,0,0,0,0|1,0,2]=4 4276 B10R0.91 CCCCC(C)OC/C=C\Cl b7bd7899f5dbcc8986a3c8f6b6268856 [0,1,0,0,0,0|1,0,2]=4 4277 B10R0.91 CCCCC(C)OCC#CI 2b6b49ef1023cc26ad6c7957dd88c00c [0,1,0,0,0,0|1,0,2]=4 4278 B10R0.91 CCCCC(C)OCC=CCl a87ac4d05c8fb3711555929de0475c36 [0,1,0,0,0,0|1,0,2]=4 4279 B10R0.91 CCCCC(C)OCCC#N 898cc7c3152336a1f57fe98c64bfde9a [0,1,0,0,0,0|1,0,1]=3 4280 B10R0.91 CCCCC(C)OCCC=O 76fbd1fdf47c15d775a1f3fca8978604 [0,1,0,0,0,0|1,0,1]=3 4281 B10R0.91 CCCCC(C)OCCCF 4150542c7d23222bae41ed88479943ae [0,1,0,0,0,0|1,0,0]=2 4282 B10R0.91 CCCCC(C)OCCCS ef9e582ef93138fba7c49a23c3e330f1 [0,1,0,0,0,0|1,0,0]=2 4283 B10R0.91 CCCCC(C)OCCOC 5d44d26acc42f0194054fb560455678d [0,1,0,0,0,0|1,0,0]=2 4284 B10R0.91 CCCCC(C)OCCSC 63ecfff8b753482e4c49aaaec117cdf1 [0,1,0,0,0,0|1,0,0]=2 4285 B10R0.91 CCCCC(C)OCSC#N 12ceceb99e8cef6d85f6af89f4a29bf6 [0,1,0,0,0,0|2,0,1]=4 4286 B10R0.91 CCCCC(O)CNCCC 82254e64d17d29f6bf92ce5d9eb8395d [0,1,0,0,0,0|2,0,0]=3 4287 B10R0.91 CCCCC(O)CNCCF 5bf492c166079065711d503fcbe05cd6 [0,1,0,0,0,0|3,0,0]=4 4288 B10R0.91 CCCCC(O)CNCCO 85107c2de78c5aba181a1e054e640f49 [0,1,0,0,0,0|3,0,0]=4 4289 B10R0.91 CCCCC(O)CNCCS 7eb3d90bb5335221e9a3afae40fdae2b [0,1,0,0,0,0|3,0,0]=4 4290 B10R0.91 CCCCC(O)CNCOC 540603c42e859185328c7658414545b8 [0,1,0,0,0,0|3,0,0]=4 4291 B10R0.91 CCCCC(O)CNCSC f5693028f4d8569d68d29b5229f6bc44 [0,1,0,0,0,0|3,0,0]=4 4292 B10R0.91 CCCCCC(=O)NCCBr fec600b048b9d57116c2b5748a328020 [0,1,0,0,0,0|3,0,0]=4 4293 B10R0.91 CCCCCC(=O)NCCC 476273c2f4455ec9a0886335ed7ef341 [0,1,0,0,0,0|2,0,0]=3 4294 B10R0.91 CCCCCC(=O)NCCF 37faddc206bd3b00f66a7e3bde923aa9 [0,1,0,0,0,0|3,0,0]=4 4295 B10R0.91 CCCCCC(=O)NCCI 369522553d6e91903d542a4f6550697a [0,1,0,0,0,0|3,0,0]=4 4296 B10R0.91 CCCCCC(=O)NCCO 92903432fe4eb247c90d29401a47cf8c [0,1,0,0,0,0|3,0,0]=4 4297 B10R0.91 CCCCCC(=O)NCCS 4780dcd137d64b0482a6c8e0700623f7 [0,1,0,0,0,0|3,0,0]=4 4298 B10R0.91 CCCCCC(C)COCC 147727976b090f1dbf99e69e5a726500 [0,1,0,0,0,0|2,0,0]=3 4299 B10R0.91 CCCCCC(C)COCF 772730e3495554b138e430d566436ec5 [0,1,0,0,0,0|3,0,0]=4 4300 B10R0.91 CCCCCC(C)NCCC 4156bf435f60ce49ce25cee90de14564 [0,1,0,0,0,0|2,0,0]=3 4301 B10R0.91 CCCCCC(C)NCCF 3e62f89cf5534a2492491fbb598d14bd [0,1,0,0,0,0|3,0,0]=4 4302 B10R0.91 CCCCCC(C)NCCI 78ad95dfbe56d7adfeefcffb21ce7886 [0,1,0,0,0,0|3,0,0]=4 4303 B10R0.91 CCCCCC(C)NCCO fa0bb457d4449c1ef05d49c1ba4c7526 [0,1,0,0,0,0|3,0,0]=4 4304 B10R0.91 CCCCCC(C)NCCS 946e43e75ba9eb48d02df84faf95e262 [0,1,0,0,0,0|3,0,0]=4 4305 B10R0.91 CCCCCC(C)NCOC 7971d52f02d4c795e2b836a755f5202c [0,1,0,0,0,0|3,0,0]=4 4306 B10R0.91 CCCCCC(C)NCSC 8fba0e639c1d6a53d7edd90d114813c8 [0,1,0,0,0,0|3,0,0]=4 4307 B10R0.91 CCCCCC(C)OCCC 6eceaa249e6a01f1402a1eee4363e708 [0,1,0,0,0,0|2,0,0]=3 4308 B10R0.91 CCCCCC(C)OCCF f19c301b6639b7c6f7116bdd69fb99f9 [0,1,0,0,0,0|3,0,0]=4 4309 B10R0.91 CCCCCC(C)OCCS 32ca888c5d68a1ca7818563c2e14f78d [0,1,0,0,0,0|3,0,0]=4 4310 B10R0.91 CCCCCC(C)OCOC 581b6703cfce4165387dde73d76d6295 [0,1,0,0,0,0|3,0,0]=4 4311 B10R0.91 CCCCCC(C)OCSC 3e728d4c259efd8baf9530cf3c3cf442 [0,1,0,0,0,0|3,0,0]=4 4312 B10R0.91 CCCCCN(C)CCC#N e141e3d23e00d05a94a7fa948d8d0daa [0,1,0,0,0,0|2,0,1]=4 4313 B10R0.91 CCCCCN(C)CCC=O 58a73274730eb7abb534529102b987b1 [0,1,0,0,0,0|2,0,1]=4 4314 B10R0.91 CCCCCN(C)CCCC ae015dd3bcf455f801be1b6a9ddc8016 [0,1,0,0,0,0|1,0,0]=2 4315 B10R0.91 CCCCCN(C)CCCF 2c4cb7fea4e45a08d0766b7f97fe9cf6 [0,1,0,0,0,0|2,0,0]=3 4316 B10R0.91 CCCCCN(C)CCCO 7c2b776f124070e940545f38821e057a [0,1,0,0,0,0|2,0,0]=3 4317 B10R0.91 CCCCCN(C)CCCS 9241895cd29c0b67c14a902e73d91ad4 [0,1,0,0,0,0|2,0,0]=3 4318 B10R0.91 CCCCCN(C)CCOC 8ecf4802ab17e9994dec88d6771e2716 [0,1,0,0,0,0|2,0,0]=3 4319 B10R0.91 CCCCCN(C)CCON 615c917c68bd67ad65a76ac5e7ce8322 [0,1,0,0,0,0|3,0,0]=4 4320 B10R0.91 CCCCCN(C)CCSC 6f477410e260fb1ed6ff14a785da6d41 [0,1,0,0,0,0|2,0,0]=3 4321 B10R0.91 CCCCCN(C)COCC 3e053a2cc3028e0b1a9571fd4c5717f2 [0,1,0,0,0,0|2,0,0]=3 4322 B10R0.91 CCCCC[C@@H](C)OCCC 3679ace7923186b0bcb825f4feeef123 [0,1,0,0,0,0|2,0,0]=3 4323 B10R0.91 CCCCC[C@@H](C)OCCF 3609dc02c2c277c78b6dfc8738a8c6f8 [0,1,0,0,0,0|3,0,0]=4 4324 B10R0.91 CCCCC[C@@H](C)OCCS 10cf499c838151dd02b61a1ad442f632 [0,1,0,0,0,0|3,0,0]=4 4325 B10R0.91 CCCCC[C@@H](C)OCSC e09d7d0313ae79078f858087b69fbd75 [0,1,0,0,0,0|3,0,0]=4 4326 B10R0.91 CCCCC[C@H](C)NCCBr 1854b842dbec1863461a83237e7b6c5a [0,1,0,0,0,0|3,0,0]=4 4327 B10R0.91 CCCCC[C@H](C)NCCC 8398d593d667db0fd774223a271466cd [0,1,0,0,0,0|2,0,0]=3 4328 B10R0.91 CCCCC[C@H](C)NCCF d4f4276688beed176effa745d6154bb7 [0,1,0,0,0,0|3,0,0]=4 4329 B10R0.91 CCCCC[C@H](C)NCCI 85afa542e59bf555bab253963e40c2ca [0,1,0,0,0,0|3,0,0]=4 4330 B10R0.91 CCCCC[C@H](C)NCCO 3307dfa6e21c72858fcd3cfc3dd52fc5 [0,1,0,0,0,0|3,0,0]=4 4331 B10R0.91 CCCCC[C@H](C)NCCS 8c74fa6a417738bf7bdc93f73cf39974 [0,1,0,0,0,0|3,0,0]=4 4332 B10R0.91 CCCCC[C@H](C)NCOC 1dd527f9b5422b3a9215887d9ebf28fb [0,1,0,0,0,0|3,0,0]=4 4333 B10R0.91 CCCCC[C@H](C)NCSC b2ff2f5b257108a000f9b352771c5fba [0,1,0,0,0,0|3,0,0]=4 4334 B10R0.91 CCCCC[C@H](C)OCCC 592af913246f5124bacdc41f8045c3f5 [0,1,0,0,0,0|2,0,0]=3 4335 B10R0.91 CCCCC[C@H](C)OCCF d93368bb1eebf4fed6d9d6be2c141c26 [0,1,0,0,0,0|3,0,0]=4 4336 B10R0.91 CCCCC[C@H](C)OCCS 51fdc76104556955d3129a6b84fac3dc [0,1,0,0,0,0|3,0,0]=4 4337 B10R0.91 CCCCC[C@H](C)OCOC 6714ac506a47a9a7f1b4c53006f7dd2a [0,1,0,0,0,0|3,0,0]=4 4338 B10R0.91 CCCCC[C@H](C)OCSC b80ba12d550283b0f163b728b738ba1e [0,1,0,0,0,0|3,0,0]=4 4339 B10R0.91 CCCCN(C)CCCC#N fb3c08e44a74f0404c8fd133c7d6f244 [0,1,0,0,0,0|2,0,1]=4 4340 B10R0.91 CCCCN(C)CCCC=O 5212f6b8d0aab536081cf6e572c7865a [0,1,0,0,0,0|2,0,1]=4 4341 B10R0.91 CCCCN(C)CCCCF 0574b839d9e7c1042ecea22e354d0db5 [0,1,0,0,0,0|2,0,0]=3 4342 B10R0.91 CCCCN(C)CCCCO bdca003f8f75d9bb51d804e121720507 [0,1,0,0,0,0|2,0,0]=3 4343 B10R0.91 CCCCN(C)CCCOC 2435dbe0060524c27d148d27e377fc53 [0,1,0,0,0,0|2,0,0]=3 4344 B10R0.91 CCCCN(C)CCCSC 0f0620d41fd7e9facb077d23de9721f6 [0,1,0,0,0,0|2,0,0]=3 4345 B10R0.91 CCCCN(C)CCNCC 8d0adb847e65d1f32298940174d794d9 [0,1,0,0,0,0|2,0,0]=3 4346 B10R0.91 CCCCN(C)CCNCF 667eb6eec5b84f638b70d6bfc5173daa [0,1,0,0,0,0|3,0,0]=4 4347 B10R0.91 CCCCN(C)CCNCO e1b0b109ab19dc0240c027bc8e177316 [0,1,0,0,0,0|3,0,0]=4 4348 B10R0.91 CCCCN(C)CCOCC b203280423c3beee9173f5e6f5183179 [0,1,0,0,0,0|2,0,0]=3 4349 B10R0.91 CCCCN(C)CCSCC 6758287a4ad2a67bba9a8a9931a18ef4 [0,1,0,0,0,0|2,0,0]=3 4350 B10R0.91 CCCCNC(=O)CCCC 5b6c1a774ebc9cf6b3cca95003cc944e [0,1,0,0,0,0|1,0,1]=3 4351 B10R0.91 CCCCNC(=O)CCCF 2018023c6b79f86bf88e0ae98d70f56e [0,1,0,0,0,0|2,0,1]=4 4352 B10R0.91 CCCCNC(=O)CCCS 1acf0f095503723b4d5b3e9341583954 [0,1,0,0,0,0|2,0,1]=4 4353 B10R0.91 CCCCNC(=O)CCOC 6f0c7655b0241fead5cc4be83519576f [0,1,0,0,0,0|2,0,1]=4 4354 B10R0.91 CCCCNC(=O)CCSC 6faaa951076ffc1f5066685857593ae9 [0,1,0,0,0,0|2,0,1]=4 4355 B10R0.91 CCCCNC(=O)CNCC c8a7f81d189a0f129789cdd44548f084 [0,1,0,0,0,0|2,0,1]=4 4356 B10R0.91 CCCCNC(=O)COCC cfe07acc4d092a3a207ae22828e3982e [0,1,0,0,0,0|2,0,1]=4 4357 B10R0.91 CCCCNC(=O)CSCC 833d758cb45613aad283ee5c135a2097 [0,1,0,0,0,0|2,0,1]=4 4358 B10R0.91 CCCCNC(=O)NCCC 3b1fa47b4b47d4900a6dc31a059123bf [0,1,0,0,0,0|2,0,1]=4 4359 B10R0.91 CCCCNC(=S)NCCC 2d59550982b008190310ae7fe640daa6 [0,1,0,0,0,0|2,0,1]=4 4360 B10R0.91 CCCCNC(C)CCC#N f79d472a29e47d2cb057a0ca5a0a6274 [0,1,0,0,0,0|2,0,1]=4 4361 B10R0.91 CCCCNC(C)CCCC 889d2f9f2940f3e2e7fd486d81326386 [0,1,0,0,0,0|1,0,0]=2 4362 B10R0.91 CCCCNC(C)CCCO 60aafafffd384a94d88af3b98eccb1b0 [0,1,0,0,0,0|2,0,0]=3 4363 B10R0.91 CCCCN[C@H](C)CCCC ab5e4a8639063a5ef8f9b98267076fc7 [0,1,0,0,0,0|1,0,0]=2 4364 B10R0.91 CCCCN[C@H](C)CCCO a95ccfe0e1b97a9e6dfcfda268a9dc9a [0,1,0,0,0,0|2,0,0]=3 4365 B10R0.91 CCCCOC(=O)COCC d484bc8a8e1cb9f1bc7a12a52a402449 [0,1,0,0,0,0|1,0,1]=3 4366 B10R0.91 CCCCOC(=O)COCF 977c18c762e99407307de342070f2942 [0,1,0,0,0,0|2,0,1]=4 4367 B10R0.91 CCCCOC(C)CCC#N 7e04c7bdb85b55390ff7320449e4ab00 [0,1,0,0,0,0|1,0,1]=3 4368 B10R0.91 CCCCOC(C)CCCC 7752635d00cac0640dd2ec5dbf9e52a3 [0,1,0,0,0,0|0,0,0]=1 4369 B10R0.91 CCCCOC(C)CCOC ab13b185c3300f9772932662841bc2bf [0,1,0,0,0,0|1,0,0]=2 4370 B10R0.91 CCCCOC(C)CCSC 06224d71643498deb86013866ccd3170 [0,1,0,0,0,0|1,0,0]=2 4371 B10R0.91 CCCCOC(C)COCC af6114043e10ad13d96eda72b033e314 [0,1,0,0,0,0|1,0,0]=2 4372 B10R0.91 CCCCO[C@@H](C)CCCC c6c923102de856d0f10b7d64a1c257c9 [0,1,0,0,0,0|0,0,0]=1 4373 B10R0.91 CCCCO[C@H](C)CCCC 281397569e3850d5ee5ca2dbdbe8e8e7 [0,1,0,0,0,0|0,0,0]=1 4374 B10R0.91 CCCC[C@@H](C)NCCC#N bbd173a67c8f2e0af48a8b3c9079d924 [0,1,0,0,0,0|2,0,1]=4 4375 B10R0.91 CCCC[C@@H](C)NCCC=O 0c93ef92112a410b71140e66015378df [0,1,0,0,0,0|2,0,1]=4 4376 B10R0.91 CCCC[C@@H](C)NCCCF 396d3444b67a111389f874cc51d0710f [0,1,0,0,0,0|2,0,0]=3 4377 B10R0.91 CCCC[C@@H](C)NCCCO 62062c872a58c121b7029a0ffc03a500 [0,1,0,0,0,0|2,0,0]=3 4378 B10R0.91 CCCC[C@@H](C)NCCCS 6864a3b72fe1961ed3b4cdea44023322 [0,1,0,0,0,0|2,0,0]=3 4379 B10R0.91 CCCC[C@@H](C)NCCOC f5e266affd8d553bfbec2abcdae71f47 [0,1,0,0,0,0|2,0,0]=3 4380 B10R0.91 CCCC[C@@H](C)NCCSC af8adc57a46b1ac7bee4d176df07c581 [0,1,0,0,0,0|2,0,0]=3 4381 B10R0.91 CCCC[C@@H](C)NCOCC 0b89c16d56bc9abbc53f1744d23112c6 [0,1,0,0,0,0|2,0,0]=3 4382 B10R0.91 CCCC[C@@H](C)OC/C=C/Cl 0b489807c758f30bd4729ba4f65c6a78 [0,1,0,0,0,0|1,0,2]=4 4383 B10R0.91 CCCC[C@@H](C)OC/C=C\Cl 6df4b791ae088d7d59040087c13ef79e [0,1,0,0,0,0|1,0,2]=4 4384 B10R0.91 CCCC[C@@H](C)OCCC#N 46ddebf6bab5af82520691aaf055e71c [0,1,0,0,0,0|1,0,1]=3 4385 B10R0.91 CCCC[C@@H](C)OCCC=O a17495e0f5edced6344ab6c3878e836b [0,1,0,0,0,0|1,0,1]=3 4386 B10R0.91 CCCC[C@@H](C)OCCCF 41c9732e3f933a7f486e64ee5b734b52 [0,1,0,0,0,0|1,0,0]=2 4387 B10R0.91 CCCC[C@@H](C)OCCCS fb325ce128f57db1e6c5ee1e56c00fdb [0,1,0,0,0,0|1,0,0]=2 4388 B10R0.91 CCCC[C@@H](C)OCCOC ab028c8f4946bb2e8b3557198dd28183 [0,1,0,0,0,0|1,0,0]=2 4389 B10R0.91 CCCC[C@@H](C)OCCSC 830d18b8210ef71b2b6d84c8425ba462 [0,1,0,0,0,0|1,0,0]=2 4390 B10R0.91 CCCC[C@@H](C)OCSC#N 147bb20f992105d54e0d932c0ebac33e [0,1,0,0,0,0|2,0,1]=4 4391 B10R0.91 CCCC[C@H](C)OC/C=C/Cl 4b665720a2871671352d6a787c9c0804 [0,1,0,0,0,0|1,0,2]=4 4392 B10R0.91 CCCC[C@H](C)OC/C=C\Cl 206be97af1cef8085416924f684746da [0,1,0,0,0,0|1,0,2]=4 4393 B10R0.91 CCCC[C@H](C)OCCC#N 4a4587d4460ea3f8ae9c3bb93938247d [0,1,0,0,0,0|1,0,1]=3 4394 B10R0.91 CCCC[C@H](C)OCCC=O 83604dea42bf0e08bde0ac09e479fc47 [0,1,0,0,0,0|1,0,1]=3 4395 B10R0.91 CCCC[C@H](C)OCCCF 64454479c84dbe9218686fabb2d44038 [0,1,0,0,0,0|1,0,0]=2 4396 B10R0.91 CCCC[C@H](C)OCCCS fb1da25c33433b1e781443123717d705 [0,1,0,0,0,0|1,0,0]=2 4397 B10R0.91 CCCC[C@H](C)OCCOC df7bb1c2d3013a33e231190d74345045 [0,1,0,0,0,0|1,0,0]=2 4398 B10R0.91 CCCC[C@H](C)OCCSC 1654f2db64d29ea87fd48d90744bd9fb [0,1,0,0,0,0|1,0,0]=2 4399 B10R0.91 CCCC[C@H](C)OCSC#N 297ef3d21ae58bbbf867c9c0d1eba6be [0,1,0,0,0,0|2,0,1]=4 4400 B10R0.91 CCCNC(=O)CCCCF 52b734d8c4d54e3a8a30180636c55039 [0,1,0,0,0,0|3,0,0]=4 4401 B10R0.91 CCCNC(=O)CCCCO 8579912c0ebfc7cd5885587b4db2a847 [0,1,0,0,0,0|3,0,0]=4 4402 B10R0.91 CCCNC(=O)CCCCS 835528c0eae9e13b3d035166dc558ccf [0,1,0,0,0,0|3,0,0]=4 4403 B10R0.91 CCCNC(=O)CCCOC a5e2d1ac29c442ac5d22076049e634e1 [0,1,0,0,0,0|3,0,0]=4 4404 B10R0.91 CCCNC(=O)CCCSC aa203c0b5604f7443b39ec139b1594a1 [0,1,0,0,0,0|3,0,0]=4 4405 B10R0.91 CCCNC(=O)CCOCC 346f5ddb484887d61ec41ac0a6570f48 [0,1,0,0,0,0|3,0,0]=4 4406 B10R0.91 CCCNC(=O)CCSCC 6fe01c91f2feda5344fc25c7a6443960 [0,1,0,0,0,0|3,0,0]=4 4407 B10R0.91 CCCNC(=O)COCCC 5ab770845b9dc23dab9a6ba7b394ac07 [0,1,0,0,0,0|3,0,0]=4 4408 B10R0.91 CCCNC(=O)CSCCC c50ee73842a3ee50027f989f32b96f00 [0,1,0,0,0,0|3,0,0]=4 4409 B10R0.91 CCCNC(C)CCCCO 01c462df2fecd03dab1173b67820d0f8 [0,1,0,0,0,0|3,0,0]=4 4410 B10R0.91 CCCNCC(=O)CCSC e99b18891702742d95fcbf5b0385ae01 [0,1,0,0,0,0|3,0,0]=4 4411 B10R0.91 CCCNCC(=O)NCCC 78f724898d671a946b9a4cbff0b855a1 [0,1,0,0,0,0|3,0,0]=4 4412 B10R0.91 CCCNCC(=O)OCCC 9e84091f29a5e60de22e3fa48f4a379f [0,1,0,0,0,0|3,0,0]=4 4413 B10R0.91 CCCNCC(O)COCC 739c81e3a4b35c2a3a7945a29136b97c [0,1,0,0,0,0|3,0,0]=4 4414 B10R0.91 CCCNC[C@H](C)CCCO 4360ac834b5d6a4882b869d3b2275977 [0,1,0,0,0,0|3,0,0]=4 4415 B10R0.91 CCCOC(=O)CCOCC eb2288e0eb1e17d54ff3e8eb454761b3 [0,1,0,0,0,0|3,0,0]=4 4416 B10R0.91 CCCOCC(=O)CCSC 804bf7535409b65ab8bc61b4a21bc9b3 [0,1,0,0,0,0|3,0,0]=4 4417 B10R0.91 CCCOCC(=O)OCCC fd9823e87b4eb570e52bf2a10033572b [0,1,0,0,0,0|3,0,0]=4 4418 B10R0.91 CCCOCC(C)COCC 8f26634fba7f1a08de1d6d692c625222 [0,1,0,0,0,0|3,0,0]=4 4419 B10R0.91 CCCOCC(C)OCCC 83c68e7f5d058e12706d8ad64a24ded4 [0,1,0,0,0,0|3,0,0]=4 4420 B10R0.91 CCOCC(C)OCCC#N 488ba75678aefbadad0fb3427f607c09 [0,1,0,0,0,0|2,0,1]=4 4421 B10R0.91 CCOCC(C)OCCC=O 4b48f07fc9ddf14951201ab5bd2a3c8e [0,1,0,0,0,0|2,0,1]=4 4422 B10R0.91 CCOCC(C)OCCCF 35afd88c7b6fa9247f753d832f0885e0 [0,1,0,0,0,0|2,0,0]=3 4423 B10R0.91 CCOCC(C)OCCCS 484e953e6cc19908c15ae4c5e42823e6 [0,1,0,0,0,0|2,0,0]=3 4424 B10R0.91 CCOCC(C)OCCOC d8d8d26097a1e3f906b1da42a527f06c [0,1,0,0,0,0|2,0,0]=3 4425 B10R0.91 CCOCC(C)OCCSC a40684ca22afae467e29775455ff6cd7 [0,1,0,0,0,0|2,0,0]=3 4426 B10R0.91 CCOCCN(C)CCCF f92b18b054a44b14aff8b517615acce1 [0,1,0,0,0,0|3,0,0]=4 4427 B10R0.91 CCOCCN(C)CCCO 17552054c1c8953cbe83f1c391407071 [0,1,0,0,0,0|3,0,0]=4 4428 B10R0.91 CCOCCN(C)CCCS acf2e112fcc8bf6ffc4997b96b894d5c [0,1,0,0,0,0|3,0,0]=4 4429 B10R0.91 CCOCCN(C)CCOC 1537f83c858c8662e169a0ea0508f568 [0,1,0,0,0,0|3,0,0]=4 4430 B10R0.91 CCOCCN(C)CCSC 3a861e3cefc98419a32945ab21ef7623 [0,1,0,0,0,0|3,0,0]=4 4431 B10R0.91 CCOCCN(C)COCC d92fe3809600701ecaea756ad49842fb [0,1,0,0,0,0|3,0,0]=4 4432 B10R0.91 CCOCN(C)CCCCO 4a28afc03dc89fc66857dcd9a34734eb [0,1,0,0,0,0|3,0,0]=4 4433 B10R0.91 CCOCN(C)CCCOC faba41a48191bf409b8747dbe3996116 [0,1,0,0,0,0|3,0,0]=4 4434 B10R0.91 CCOCNC(C)CCCO 06f1c873e75f8fcda4d31c554f540fe2 [0,1,0,0,0,0|3,0,0]=4 4435 B10R0.91 CCOCN[C@H](C)CCCO 4b02c958685e1eace051cd6ccdd56795 [0,1,0,0,0,0|3,0,0]=4 4436 B10R0.91 CCOCOC(C)CCOC 12d96fb002e08781ab027c11a1988fb1 [0,1,0,0,0,0|2,0,0]=3 4437 B10R0.91 CCSCCN(C)CCCO e99902eeacaa5fd8bb1112d1b5c0125d [0,1,0,0,0,0|3,0,0]=4 4438 B10R0.91 CCSCCN(C)CCOC 083ab7ee6a83c750cb5e2eb85b877e5f [0,1,0,0,0,0|3,0,0]=4 4439 B10R0.91 CCSCCN(C)CCSC b86231075ec70503ad7e18742dee4db2 [0,1,0,0,0,0|3,0,0]=4 4440 B10R0.91 CN(CCCF)CCCCO 8d152208240015325ce0d6a2185b7cbd [0,1,0,0,0,0|3,0,0]=4 4441 B10R0.91 CN(CCCO)CCCCF aaa2c2658429f45c1d5bd5c113b1f5dc [0,1,0,0,0,0|3,0,0]=4 4442 B10R0.91 CN(CCCO)CCCCO f21462b1041bdf34e7d03f42b822416a [0,1,0,0,0,0|3,0,0]=4 4443 B10R0.91 CN(CCCS)CCCCO 7c55f80c44722484a9471ef3a1c670dc [0,1,0,0,0,0|3,0,0]=4 4444 B10R0.91 COCCC(C)OCCC#N 28928f65721584f70649dc7d64f95fcb [0,1,0,0,0,0|2,0,1]=4 4445 B10R0.91 COCCC(C)OCCC=O 36637586d41a56a3c17149f30e2222aa [0,1,0,0,0,0|2,0,1]=4 4446 B10R0.91 COCCC(C)OCCCF 838804dad111c2d717861a1b5c6e08c8 [0,1,0,0,0,0|2,0,0]=3 4447 B10R0.91 COCCC(C)OCCCS ea5ab6397cd1e19cd9d1a37c5a7bf716 [0,1,0,0,0,0|2,0,0]=3 4448 B10R0.91 COCCC(C)OCCSC ad07f0f07db17b5b6e8b5b4cf19a55f0 [0,1,0,0,0,0|2,0,0]=3 4449 B10R0.91 COCCCN(C)CCCF cadec29c85a3e427c28a0fec202c2e5c [0,1,0,0,0,0|3,0,0]=4 4450 B10R0.91 COCCCN(C)CCCO cd7931e752429060f7e3ca49d0f6b026 [0,1,0,0,0,0|3,0,0]=4 4451 B10R0.91 COCCCN(C)CCCS 99ffadabf3266da44004ae8e0cb09eec [0,1,0,0,0,0|3,0,0]=4 4452 B10R0.91 COCCCN(C)CCOC 7f72a541493fc5ecf6d1af95a44477bc [0,1,0,0,0,0|3,0,0]=4 4453 B10R0.91 COCCCN(C)CCSC c1bb2da20e1617c41202225ffb2bd2ee [0,1,0,0,0,0|3,0,0]=4 4454 B10R0.91 COCCN(C)CCCCF bb6e24622c9fb6a571f1aa6b1e5b9d3e [0,1,0,0,0,0|3,0,0]=4 4455 B10R0.91 COCCN(C)CCCCO 11694fa68120440611d6dfd5fe4d0fdf [0,1,0,0,0,0|3,0,0]=4 4456 B10R0.91 COCCN(C)CCCSC 819261b6b4fe6bfddcdb77707f93b7e4 [0,1,0,0,0,0|3,0,0]=4 4457 B10R0.91 COCCNC(C)CCCO 5191b69b1af2f627476209ff3110a0ab [0,1,0,0,0,0|3,0,0]=4 4458 B10R0.91 COCCN[C@H](C)CCCO db4ba0906e1669144d7100c965c12d83 [0,1,0,0,0,0|3,0,0]=4 4459 B10R0.91 COCCOC(C)CCC#N 514748f5975f4f602484b38cece5391e [0,1,0,0,0,0|2,0,1]=4 4460 B10R0.91 COCCOC(C)CCOC 4abf828033b848f55a394874d1adc409 [0,1,0,0,0,0|2,0,0]=3 4461 B10R0.91 COCCOC(C)CCSC a111b1496c065148b21790f06af903be [0,1,0,0,0,0|2,0,0]=3 4462 B10R0.91 CSCCC(C)OCCC#N 2bcbb18ff05756a7d45d9dcc530e5b61 [0,1,0,0,0,0|2,0,1]=4 4463 B10R0.91 CSCCC(C)OCCC=O a04b295bb271652fa4e65df984c1f1f8 [0,1,0,0,0,0|2,0,1]=4 4464 B10R0.91 CSCCC(C)OCCCF 33c2a3b665c4b57ae9cb4bc50e7443c4 [0,1,0,0,0,0|2,0,0]=3 4465 B10R0.91 CSCCC(C)OCCCS 524b8120581f6933200e8c2c3e07a3d9 [0,1,0,0,0,0|2,0,0]=3 4466 B10R0.91 CSCCCN(C)CCCO c6ab7967da6d3b226a9fcdc4b39af990 [0,1,0,0,0,0|3,0,0]=4 4467 B10R0.91 CSCCCN(C)CCSC 164cea98845ffd109569562b9e314f1b [0,1,0,0,0,0|3,0,0]=4 4468 B10R0.91 CSCCN(C)CCCCF 5d4c7dee66a5397723a5a9199cbe1416 [0,1,0,0,0,0|3,0,0]=4 4469 B10R0.91 CSCCN(C)CCCCO e00bdde5379521c69e48c421b4e0b54f [0,1,0,0,0,0|3,0,0]=4 4470 B10R0.91 CSCCNC(C)CCCO 8e41dd958130a53537ec1e02cfd20c8f [0,1,0,0,0,0|3,0,0]=4 4471 B10R0.91 CSCCN[C@H](C)CCCO 4b9909b18861fb4a00cee94015c78916 [0,1,0,0,0,0|3,0,0]=4 4472 B10R0.91 CSCCOC(C)CCC#N c0b3a7b80b37614c8024a855716fe635 [0,1,0,0,0,0|2,0,1]=4 4473 B10R0.91 CSCCOC(C)CCSC d529138b5f749fc9d8f888c9fe613609 [0,1,0,0,0,0|2,0,0]=3 4474 B10R0.91 C[C@H](CCCO)NCCCF 29ea6fdf64a3c7cc8400253e3e9bd6d1 [0,1,0,0,0,0|3,0,0]=4 4475 B10R0.91 C[C@H](CCCO)NCCCO d4e0ab9cc7ad342c106710127b8407fb [0,1,0,0,0,0|3,0,0]=4 4476 B10R0.91 C[C@H](CCCO)NCCCS 76f7c15d9950621dba070320c7d3ec8f [0,1,0,0,0,0|3,0,0]=4 4477 B10R1.4 CC1CCCCC1NCF c203a73038ae4c8562b3e3f4f4e7597a [0,0,0,1,0,0|3,0,0]=4 4478 B10R1.4 CC1CCCCC1NCO 0e3762ab7ee63ac783585aca2f7ed5e4 [0,0,0,1,0,0|3,0,0]=4 4479 B10R1.4 CC1CCCCC1OCF c019e894d67eaa147137c1ce65162cdf [0,0,0,1,0,0|3,0,0]=4 4480 B10R1.4 CC1CCCCN1CCF 69b449650cc84dda5c61c876c1ea95af [0,0,0,1,0,0|3,0,0]=4 4481 B10R1.4 CC1CCCCN1CCO 7c67b850c0b415e90d3cd90f9f17dc2f [0,0,0,1,0,0|3,0,0]=4 4482 B10R1.4 CC1CCCCN1CCS 68a67c234e1bcda04f3f3db2c0c265f7 [0,0,0,1,0,0|3,0,0]=4 4483 B10R1.4 CCCN1CCCCC1C bdc6e8422b58dd326d4151761637d82d [0,0,0,1,0,0|2,0,0]=3 4484 B10R1.4 CCCN1CCCC[C@@H]1C e674818f97cf21d2600e58825cdceba4 [0,0,0,1,0,0|2,0,0]=3 4485 B10R1.4 CCCN1CCCC[C@H]1C b5aa37ae186f5be059735f960df5a255 [0,0,0,1,0,0|2,0,0]=3 4486 B10R1.4 CCCN1CCOCC1C ef6d56537bdba76d7b58f2f46e945264 [0,0,0,1,0,0|3,0,0]=4 4487 B10R1.4 CCCN1CCOC[C@@H]1C 562aa1905cfc919b5e731fe86dfb1ba6 [0,0,0,1,0,0|3,0,0]=4 4488 B10R1.4 CCCN1CCOC[C@H]1C 94dec88830dc1af7c263bdb7764fe475 [0,0,0,1,0,0|3,0,0]=4 4489 B10R1.4 CCNC1CCCCC1C 0a6a67710a04d0a4019e93d8f358beef [0,0,0,1,0,0|2,0,0]=3 4490 B10R1.4 CCNC1CCCCC1O cab70b0d7048631dfdcbfe71841f0fdb [0,0,0,1,0,0|3,0,0]=4 4491 B10R1.4 CCNC1CCOCC1C 7c4d60d095b3246d4fde032160273872 [0,0,0,1,0,0|3,0,0]=4 4492 B10R1.4 CCN[C@@H]1CCCC[C@@H]1C e1838a3dfce1be8774030cb38cadc8a8 [0,0,0,1,0,0|2,0,0]=3 4493 B10R1.4 CCN[C@@H]1CCCC[C@H]1C 615764c975ae11d6bfe89a970bd051eb [0,0,0,1,0,0|2,0,0]=3 4494 B10R1.4 CCN[C@@H]1CCCC[C@H]1O 3560f2039731995ef233caf22329f344 [0,0,0,1,0,0|3,0,0]=4 4495 B10R1.4 CCN[C@@H]1CCOC[C@@H]1C 611ceb3dccfc606a0eccbe5d9c5e688b [0,0,0,1,0,0|3,0,0]=4 4496 B10R1.4 CCN[C@@H]1COCC[C@@H]1O 9f7e70cad2762ddff0b8c4276ebb71e0 [0,0,0,1,0,0|2,0,0]=3 4497 B10R1.4 CCN[C@@H]1COCC[C@H]1O f87ff68986bcfde0f0d68b52df3418f4 [0,0,0,1,0,0|2,0,0]=3 4498 B10R1.4 CCN[C@H]1CCCC[C@@H]1C be0f57ee3e667adc7604c643c6c81280 [0,0,0,1,0,0|2,0,0]=3 4499 B10R1.4 CCN[C@H]1CCCC[C@@H]1O f5999981aedc57da02406a7fea523d0c [0,0,0,1,0,0|3,0,0]=4 4500 B10R1.4 CCN[C@H]1CCCC[C@H]1C fc338e738c022c0d4e1728f6dd42fc12 [0,0,0,1,0,0|2,0,0]=3 4501 B10R1.4 CCN[C@H]1CCCC[C@H]1O 82496c56f17d72e49ca2b5b4b02bb9b0 [0,0,0,1,0,0|3,0,0]=4 4502 B10R1.4 CCN[C@H]1CCOC[C@H]1C 81a86d33e4022e53c7be25db5e38884f [0,0,0,1,0,0|3,0,0]=4 4503 B10R1.4 CCN[C@H]1COCC[C@@H]1O f457f268e2c2e0ea239cf5516967bc70 [0,0,0,1,0,0|2,0,0]=3 4504 B10R1.4 CCN[C@H]1COCC[C@H]1O 0dc03c6278123e7c59c166c227795d26 [0,0,0,1,0,0|2,0,0]=3 4505 B10R1.4 CCOC1CCCCC1C 98a98ba096ca8cc7e27c67a7da40ad7b [0,0,0,1,0,0|2,0,0]=3 4506 B10R1.4 CCOC1CCCCC1F 079d4f9d37c5ce8da3be8df805e7ccac [0,0,0,1,0,0|3,0,0]=4 4507 B10R1.4 CCOC1CCOCC1C 4465e9ba3cf6422ff58321c48dabda27 [0,0,0,1,0,0|3,0,0]=4 4508 B10R1.4 CCO[C@@H]1CCCC[C@@H]1C 83d8c0bfbcf5371da8c218bad9c586f9 [0,0,0,1,0,0|2,0,0]=3 4509 B10R1.4 CCO[C@@H]1CCCC[C@H]1F b305ec38a4fc4688a7a568327f40ca75 [0,0,0,1,0,0|3,0,0]=4 4510 B10R1.4 CCO[C@H]1CCCC[C@@H]1C ec4e8495974299370fc90a30a76e8186 [0,0,0,1,0,0|2,0,0]=3 4511 B10R1.4 CCO[C@H]1CCCC[C@H]1C 4418bd5b72dfb837aa581fefe48f6627 [0,0,0,1,0,0|2,0,0]=3 4512 B10R1.4 COCN1CCCCC1C fd45a8141e44a89bcd34064cf5c5b090 [0,0,0,1,0,0|3,0,0]=4 4513 B10R1.4 COCN1CCCC[C@@H]1C 3fa49f4d699b69d7c8a69082a83e8bbf [0,0,0,1,0,0|3,0,0]=4 4514 B10R1.4 COCN1CCCC[C@H]1C 419f0ac85f37b1508e8cf89b80772cd9 [0,0,0,1,0,0|3,0,0]=4 4515 B10R1.4 CSCN1CCCCC1C 7590782fcee7ece24d11d5c0ba1409c5 [0,0,0,1,0,0|3,0,0]=4 4516 B10R1.4 CSCN1CCCC[C@@H]1C dd0397cb91caa715e53bc7a207734f1f [0,0,0,1,0,0|3,0,0]=4 4517 B10R1.4 CSCN1CCCC[C@H]1C 8fae0f1f88bd4ddd550f7a73fa3503f6 [0,0,0,1,0,0|3,0,0]=4 4518 B10R1.4 C[C@@H]1CCCCN1CCF 90f4a2510e36c09ae8ce8019a77830d8 [0,0,0,1,0,0|3,0,0]=4 4519 B10R1.4 C[C@@H]1CCCCN1CCO 59511cd1244afb35b2e91c8941300901 [0,0,0,1,0,0|3,0,0]=4 4520 B10R1.4 C[C@@H]1CCCCN1CCS c0217f2c60556d40a8e66a5f00f0e5ff [0,0,0,1,0,0|3,0,0]=4 4521 B10R1.4 C[C@@H]1CCCC[C@@H]1NCF 6832fb905fd4eedd8b65eba105fed913 [0,0,0,1,0,0|3,0,0]=4 4522 B10R1.4 C[C@@H]1CCCC[C@@H]1NCO a4d87bc2ba663c2c22190ee043a4215e [0,0,0,1,0,0|3,0,0]=4 4523 B10R1.4 C[C@@H]1CCCC[C@@H]1OCF e6622b115f3f5e4b50d4679b00ee05c9 [0,0,0,1,0,0|3,0,0]=4 4524 B10R1.4 C[C@@H]1CCCC[C@H]1NCF c87f9c730f9d0b0e5088a02ac21728b6 [0,0,0,1,0,0|3,0,0]=4 4525 B10R1.4 C[C@@H]1CCCC[C@H]1NCO 56b4e705fd3b60b2a3c805aa24d7fe72 [0,0,0,1,0,0|3,0,0]=4 4526 B10R1.4 C[C@H]1CCCCN1CCF f7e57b2a5ecd6088a7bb2f5a81e33324 [0,0,0,1,0,0|3,0,0]=4 4527 B10R1.4 C[C@H]1CCCCN1CCO eaac0121809a1dea0fa7d8c376d8fce7 [0,0,0,1,0,0|3,0,0]=4 4528 B10R1.4 C[C@H]1CCCCN1CCS a94602d1372906c3fa1bc4390ab29712 [0,0,0,1,0,0|3,0,0]=4 4529 B10R1.4 C[C@H]1CCCC[C@@H]1NCF 6e9a6379be28e88d50fc87d2047af611 [0,0,0,1,0,0|3,0,0]=4 4530 B10R1.4 C[C@H]1CCCC[C@@H]1NCO 9d6cffdfc5461680a7cea39bff264e8c [0,0,0,1,0,0|3,0,0]=4 4531 B10R1.4 C[C@H]1CCCC[C@@H]1OCF b3be85fd90b5dac4d2f889f15d005f32 [0,0,0,1,0,0|3,0,0]=4 4532 B10R1.4 C[C@H]1CCCC[C@H]1NCF c6a75ed3985b8d13901e64c1a3b1e927 [0,0,0,1,0,0|3,0,0]=4 4533 B10R1.4 C[C@H]1CCCC[C@H]1NCO d35300c898e379f4d6863cf745c3f218 [0,0,0,1,0,0|3,0,0]=4 4534 B10R1.4 C[C@H]1CCCC[C@H]1OCF 203bd5f17e23a87bab63c93749399803 [0,0,0,1,0,0|3,0,0]=4 4535 B10R1.4 OCN[C@@H]1COCC[C@@H]1O d744d1550cb99e3f3a6a0bd6075d7485 [0,0,0,1,0,0|3,0,0]=4 4536 B10R1.4 OCN[C@@H]1COCC[C@H]1O 28505f5854751289dea8132d8ed9bd46 [0,0,0,1,0,0|3,0,0]=4 4537 B10R1.4 OCN[C@H]1COCC[C@@H]1O 555012d95633c99cd38d4a028695baeb [0,0,0,1,0,0|3,0,0]=4 4538 B10R1.4 OCN[C@H]1COCC[C@H]1O 9926f49200d2e7e0223da35ff04458c5 [0,0,0,1,0,0|3,0,0]=4 4539 B10R1.4 O[C@@H]1CCOC[C@@H]1NCF 2006e5f6f16df9c88ad2ec1e13bcb81d [0,0,0,1,0,0|3,0,0]=4 4540 B10R1.4 O[C@@H]1CCOC[C@H]1NCF 098e82d7c4cb642cabcea9f7580aff91 [0,0,0,1,0,0|3,0,0]=4 4541 B10R1.4 O[C@H]1CCOC[C@@H]1NCF 4f4e904f6cef0f682be560e05a80e7ec [0,0,0,1,0,0|3,0,0]=4 4542 B10R1.4 O[C@H]1CCOC[C@H]1NCF 47a486a680db12d57b3eac467e0f7de7 [0,0,0,1,0,0|3,0,0]=4 4543 B10R1.5 CCC1CCCN1CCF ecfa7423f9cef6a5ed81800aaaff3955 [0,0,0,1,0,0|3,0,0]=4 4544 B10R1.5 CCC1CCCN1CCO 0c820a37128ca80d3550f97c205effbe [0,0,0,1,0,0|3,0,0]=4 4545 B10R1.5 CCC1CCCN1CCS b7398667eaad57dc56204c58c11b445f [0,0,0,1,0,0|3,0,0]=4 4546 B10R1.5 CCC1CCCN1COC 7cc11dd740a39607bf636db9cfa4daad [0,0,0,1,0,0|3,0,0]=4 4547 B10R1.5 CCC1CCCN1CSC 6a7c077f6436f69baa7cb8c870661cb7 [0,0,0,1,0,0|3,0,0]=4 4548 B10R1.5 CCCC1C=CCN1CC df59c7d34aeb53f683a4f7e1c953a451 [0,0,0,1,0,0|2,0,1]=4 4549 B10R1.5 CCCC1SCCN1CC 55f5d53e9606e42fdb59aabf482e2d59 [0,0,0,1,0,0|1,1,0]=3 4550 B10R1.5 CCCC1SCCN1CF 0ce33ecd7bde31e0ba5a6f6928e310ac [0,0,0,1,0,0|2,1,0]=4 4551 B10R1.5 CCCC1SCCN1CO bc5dd2f83b8df7accb3f8eb3ecf2d958 [0,0,0,1,0,0|2,1,0]=4 4552 B10R1.5 CCCN1CCCC1CC b4b0b71eb87b0e5c5b11c4f43e6364dd [0,0,0,1,0,0|2,0,0]=3 4553 B10R1.5 CCCN1CCCC1CO 9708959ba34743bcec5a879bd9521118 [0,0,0,1,0,0|3,0,0]=4 4554 B10R1.5 CCCN1CCCC1OC 528a32eeb59578961e036870d86a5a03 [0,0,0,1,0,0|3,0,0]=4 4555 B10R1.5 CCCN1CCC[C@@H]1CF dceb106ebb503c8397932ee34b4b4936 [0,0,0,1,0,0|3,0,0]=4 4556 B10R1.5 CCCN1CCC[C@@H]1CO 6caaeefce9be817af83921a6af51b74f [0,0,0,1,0,0|3,0,0]=4 4557 B10R1.5 CCCN1CCC[C@H]1CC 164c574647f66fa76056c22fa9f81e14 [0,0,0,1,0,0|2,0,0]=3 4558 B10R1.5 CCCN1CCC[C@H]1CF b33130dbc95f7869955b782513526b9f [0,0,0,1,0,0|3,0,0]=4 4559 B10R1.5 CCCN1CCC[C@H]1CO 9941516923d855376d168bce9c9f29e1 [0,0,0,1,0,0|3,0,0]=4 4560 B10R1.5 CCN1CCCC1CCO 90bf4a12f3650e7287be43df90bc5791 [0,0,0,1,0,0|3,0,0]=4 4561 B10R1.5 CCN1CCCC1COC e5b20f033f294154c52a0e3ca29cbb31 [0,0,0,1,0,0|3,0,0]=4 4562 B10R1.5 CCN1CCCC1CSC a410e53de781bbcfaf7248104882736e [0,0,0,1,0,0|3,0,0]=4 4563 B10R1.5 CCN1CCC[C@@H]1CCO ab1109cdfabc20d8c81b4a783aa26044 [0,0,0,1,0,0|3,0,0]=4 4564 B10R1.5 CCN1CCC[C@@H]1COC 4b17ba03415a6606579388faa26604f5 [0,0,0,1,0,0|3,0,0]=4 4565 B10R1.5 CCN1CCC[C@H]1COC 613f85f66f870f58b46a316c2bdb45e7 [0,0,0,1,0,0|3,0,0]=4 4566 B10R1.5 CCNC1CCCC1OC 89ec3b6016fcdc22b3a7ca51395ed3f0 [0,0,0,1,0,0|3,0,0]=4 4567 B10R1.5 CCNC1COCC1CO f4c418d26248df30045b0453cdd2e34e [0,0,0,1,0,0|2,0,0]=3 4568 B10R1.5 CCNC1COCC1OC 6726b96ff957064c514c43a9de73e3bc [0,0,0,1,0,0|2,0,0]=3 4569 B10R1.5 CCN[C@@H]1CCC[C@H]1CC 829046397b0448368c40c4d774afac20 [0,0,0,1,0,0|2,0,0]=3 4570 B10R1.5 CCN[C@@H]1CCC[C@H]1OC d1c1577247872531036a20c569fc9d36 [0,0,0,1,0,0|3,0,0]=4 4571 B10R1.5 CCN[C@@H]1COC[C@@H]1OC 44bbd223e101520d9e0be2b88c10ed8c [0,0,0,1,0,0|2,0,0]=3 4572 B10R1.5 CCN[C@@H]1COC[C@H]1CO e21fd209b98ca4387485eaa4567f2b03 [0,0,0,1,0,0|2,0,0]=3 4573 B10R1.5 CCN[C@@H]1COC[C@H]1OC f888922388fca16f4052aff5ad73731f [0,0,0,1,0,0|2,0,0]=3 4574 B10R1.5 CCN[C@H]1CCC[C@@H]1OC 79e90c283c0033eb5672ea576676d8d2 [0,0,0,1,0,0|3,0,0]=4 4575 B10R1.5 CCN[C@H]1CCC[C@H]1CO f5e49f372290090b103fb95c0ddbe0c0 [0,0,0,1,0,0|3,0,0]=4 4576 B10R1.5 CCN[C@H]1CCC[C@H]1OC 48b675445c62b669e758bafd5eefa9cf [0,0,0,1,0,0|3,0,0]=4 4577 B10R1.5 CCN[C@H]1COC[C@@H]1OC 40ccc2631ffd770545f2a9cecf03b982 [0,0,0,1,0,0|2,0,0]=3 4578 B10R1.5 CCN[C@H]1COC[C@H]1OC c4da17b78ef881264163c206f332d63b [0,0,0,1,0,0|2,0,0]=3 4579 B10R1.5 CCN[C@H]1CSC[C@@H]1CO b196ebc5d4a1d0e164ba2725899f8648 [0,0,0,1,0,0|2,1,0]=4 4580 B10R1.5 CC[C@@H]1CCCN1CCF c909d9f6e906da1099f723f6de005010 [0,0,0,1,0,0|3,0,0]=4 4581 B10R1.5 CC[C@@H]1CCCN1CCO af906c9e1ba8b4b196e5b4dbfaf62492 [0,0,0,1,0,0|3,0,0]=4 4582 B10R1.5 CC[C@@H]1CCCN1CCS 54d48837e52be330f88344260bd5996a [0,0,0,1,0,0|3,0,0]=4 4583 B10R1.5 CC[C@@H]1CCCN1COC f71b06f3b9aa2940e2e691cfa1242231 [0,0,0,1,0,0|3,0,0]=4 4584 B10R1.5 CC[C@@H]1CCCN1CSC 5b6f5159c35aa1acfeec75b077563c34 [0,0,0,1,0,0|3,0,0]=4 4585 B10R1.5 CC[C@@H]1CCC[C@H]1NCF 157aa9d0a7b4eb9f520a8905c6cbb19d [0,0,0,1,0,0|3,0,0]=4 4586 B10R1.5 CC[C@@H]1CCC[C@H]1NCO 6493baa2189260a20784bc82ee9fe351 [0,0,0,1,0,0|3,0,0]=4 4587 B10R1.5 COC1COCC1NCF 0c0c9d665c6345d41256de2b03a0214f [0,0,0,1,0,0|3,0,0]=4 4588 B10R1.5 COC1COCC1NCO cce5bd71b6e50478de5ed0d35408fef6 [0,0,0,1,0,0|3,0,0]=4 4589 B10R1.5 CO[C@@H]1COC[C@@H]1NCF 2fa49fd380e5da320cae9f3040dcc583 [0,0,0,1,0,0|3,0,0]=4 4590 B10R1.5 CO[C@@H]1COC[C@@H]1NCO e359c77ea67c9948df3aadb444c55d3b [0,0,0,1,0,0|3,0,0]=4 4591 B10R1.5 CO[C@@H]1COC[C@H]1NCF 3c86c34d5ff923d244fa9292f2c9227a [0,0,0,1,0,0|3,0,0]=4 4592 B10R1.5 CO[C@@H]1COC[C@H]1NCO dcb0f603fe547a0dac9296d45ea9ef97 [0,0,0,1,0,0|3,0,0]=4 4593 B10R1.5 CO[C@H]1COC[C@@H]1NCF 5de56fa316270f8194a4329f2fcb4633 [0,0,0,1,0,0|3,0,0]=4 4594 B10R1.5 CO[C@H]1COC[C@@H]1NCO a4204f429c4f38b1aad097a6ceda81d7 [0,0,0,1,0,0|3,0,0]=4 4595 B10R1.5 CO[C@H]1COC[C@H]1NCF 3ebb9a210e1e6d1008988741effaacf9 [0,0,0,1,0,0|3,0,0]=4 4596 B10R1.5 CO[C@H]1COC[C@H]1NCO 3d76c57a80d33f787108772cd88e4f61 [0,0,0,1,0,0|3,0,0]=4 4597 B10R1.5 OCC1COCC1NCF 76eb91524ec2786730c4ee4fce6fd4a6 [0,0,0,1,0,0|3,0,0]=4 4598 B10R1.5 OCNC1COCC1CO f3e3abebd79373c562bd3527d26d6054 [0,0,0,1,0,0|3,0,0]=4 4599 B10R1.5 OCN[C@@H]1COC[C@H]1CO 3bdd9fe12bb31b68595b38c18470ea8f [0,0,0,1,0,0|3,0,0]=4 4600 B10R1.5 OC[C@@H]1COC[C@H]1NCF 56c24e9e6c0f1ead730ae06cece64fb2 [0,0,0,1,0,0|3,0,0]=4 4601 B10R1.12 C#CCCN1CCC1CC ac5d3e0b21e7b902abddb8c414cd4783 [0,0,0,1,0,0|1,0,2]=4 4602 B10R1.12 C/C=C/CN1CCC1CC 94602098dc2ac8681c6db0088251103f [0,0,0,1,0,0|1,0,2]=4 4603 B10R1.12 C/C=C\CN1CCC1CC 678dcf9991bc6009678a1c7ec41f77ba [0,0,0,1,0,0|1,0,2]=4 4604 B10R1.12 C=CCCN1CCC1CC 88fb88f5828867958db0c35b824e95be [0,0,0,1,0,0|1,0,2]=4 4605 B10R1.12 CCC1CCN1CCC#N a8c7687f0fd5af4411680b5380773dd1 [0,0,0,1,0,0|2,0,1]=4 4606 B10R1.12 CCC1CCN1CCC=O 3937bca54b495f5c977cf3feb00c0fef [0,0,0,1,0,0|2,0,1]=4 4607 B10R1.12 CCC1CCN1CCCF 63e294fa6bf2d8ea29afa7c76156e0a6 [0,0,0,1,0,0|2,0,0]=3 4608 B10R1.12 CCC1CCN1CCCO 311846b023a4b6e6bc47ba2dd093847f [0,0,0,1,0,0|2,0,0]=3 4609 B10R1.12 CCC1CCN1CCCS 8b51851c6267f1ed5ba8cb1cf0183d69 [0,0,0,1,0,0|2,0,0]=3 4610 B10R1.12 CCC1CCN1CCOC aa0fb2d6b5beabe0b555aefc55b6aff4 [0,0,0,1,0,0|2,0,0]=3 4611 B10R1.12 CCC1CCN1CCSC 4246da703799a76069b9d39aa8710538 [0,0,0,1,0,0|2,0,0]=3 4612 B10R1.12 CCCCN1CCC1CC 77c853fd321136b7c9e7a8ba4faf6b9c [0,0,0,1,0,0|1,0,0]=2 4613 B10R1.12 CCCCN1CCC1CO bfc5f75326245488dc318b69cd2a0fcc [0,0,0,1,0,0|2,0,0]=3 4614 B10R1.12 CCCCN1CC[C@@H]1CO 8efb1d4b7f0db5b07701e09039bbc4c9 [0,0,0,1,0,0|2,0,0]=3 4615 B10R1.12 CCCCN1CC[C@H]1CO 4c6e04ea3994083adbf88d1adcf78c78 [0,0,0,1,0,0|2,0,0]=3 4616 B10R1.12 CCCNC1CCC1OC 8cce12701226615331595220fc983039 [0,0,0,1,0,0|3,0,0]=4 4617 B10R1.12 CCCN[C@@H]1CC[C@@H]1OC 48b0cdc1c4f442e8e60acd5d0289e9fb [0,0,0,1,0,0|3,0,0]=4 4618 B10R1.12 CCCN[C@@H]1CC[C@H]1OC 9096cc99783793e362e51e6863862986 [0,0,0,1,0,0|3,0,0]=4 4619 B10R1.12 CCCN[C@H]1CC[C@@H]1OC 76c198403bb971151364ab7e9b8be28d [0,0,0,1,0,0|3,0,0]=4 4620 B10R1.12 CCCN[C@H]1CC[C@H]1OC 98dcc7918d724936a07c3c0f24e5338d [0,0,0,1,0,0|3,0,0]=4 4621 B10R1.12 CCOCC1CCC1OC 16d6d291d3e7b304ffcd487f10dc0a31 [0,0,0,1,0,0|3,0,0]=4 4622 B10R1.12 CCOCN1CCC1CC c6480917928ab496d75a97b5a64766cc [0,0,0,1,0,0|2,0,0]=3 4623 B10R1.12 CCOCN1CCC1CO 6671239320e5fd0ca683883f8bdecdb1 [0,0,0,1,0,0|3,0,0]=4 4624 B10R1.12 CCOCN1CC[C@@H]1CO 181d2e1b554938925a76f248ed1e5d2d [0,0,0,1,0,0|3,0,0]=4 4625 B10R1.12 CCOCN1CC[C@H]1CO 755ee6bb7fdcc67e6045112d38c2237c [0,0,0,1,0,0|3,0,0]=4 4626 B10R1.12 CCOC[C@@H]1CC[C@H]1OC d57f56b2d05a016ca67f70d7b30f6184 [0,0,0,1,0,0|3,0,0]=4 4627 B10R1.12 CCOC[C@H]1CC[C@H]1OC d79780c761f8eda4519449481cbed8c8 [0,0,0,1,0,0|3,0,0]=4 4628 B10R1.12 COCCN1CCC1CO 3c1fa687f1b757b600ee98a5628c814a [0,0,0,1,0,0|3,0,0]=4 4629 B10R1.12 COCCN1CC[C@@H]1CO ef81526488e35224b0b7c9456404b6a8 [0,0,0,1,0,0|3,0,0]=4 4630 B10R1.12 COCCN1CC[C@H]1CO 3db91231f16b27d45d24e986a08b7651 [0,0,0,1,0,0|3,0,0]=4 4631 B10R1.12 CSCCN1CCC1CO dafc760a207fc270dc1a63450496ac95 [0,0,0,1,0,0|3,0,0]=4 4632 B10R1.12 CSCCN1CC[C@@H]1CO 4a3de2edf313d61547aa424e2c0d7735 [0,0,0,1,0,0|3,0,0]=4 4633 B10R1.12 CSCCN1CC[C@H]1CO 80086ae42b7c25ea89de46ab75098289 [0,0,0,1,0,0|3,0,0]=4 4634 B10R1.12 OCC1CCN1CCCF ce544b33048a046c8d233826789c8f95 [0,0,0,1,0,0|3,0,0]=4 4635 B10R1.12 OCC1CCN1CCCS 5cbfdf74a6260c7619974c38349de140 [0,0,0,1,0,0|3,0,0]=4 4636 B10R1.12 OCCCN1CCC1CO 61b17580da6068ea3c94ef1eedcc3017 [0,0,0,1,0,0|3,0,0]=4 4637 B10R1.12 OCCCN1CC[C@@H]1CO 19df7a19502e119691dc9febfb08f69e [0,0,0,1,0,0|3,0,0]=4 4638 B10R1.12 OCCCN1CC[C@H]1CO ea80b7a437616fce3fc7f3d023829328 [0,0,0,1,0,0|3,0,0]=4 4639 B10R1.12 OC[C@@H]1CCN1CCCF d21d39d1068b0b27a833e6795b63b5b3 [0,0,0,1,0,0|3,0,0]=4 4640 B10R1.12 OC[C@@H]1CCN1CCCS c217e64ab4830e0b9a941b8ae73e6e96 [0,0,0,1,0,0|3,0,0]=4 4641 B10R1.12 OC[C@H]1CCN1CCCF 3c6bd77775889c828c15fdc76ba93403 [0,0,0,1,0,0|3,0,0]=4 4642 B10R1.12 OC[C@H]1CCN1CCCS 9b8a1e9a5742504bc05412ae6dbdd86f [0,0,0,1,0,0|3,0,0]=4 4643 B10R1.17 BrCCNC1CCCCC1 8fdbf04547ed3edb0f6464bb861e6ead [0,0,0,1,0,0|3,0,0]=4 4644 B10R1.17 C#CCNC1CCCCO1 5f2d040748ab3578ca7347eae2ae5f6a [0,0,0,1,0,0|1,0,2]=4 4645 B10R1.17 C#CCOC1CCCCO1 30acdd7d7b02c33bfa2bde69942f7e99 [0,0,0,1,0,0|1,0,2]=4 4646 B10R1.17 C=CCOC1CCCCO1 ff6f6124114c4fad2d3406c15e7cf0de [0,0,0,1,0,0|1,0,2]=4 4647 B10R1.17 CCCCN1CC=CCC1 51d688a7d6e08992ddc46bd8d0f2b11f [0,0,0,1,0,0|1,0,2]=4 4648 B10R1.17 CCCCN1CCCOC1 15376110cce3f20dcb86060d5af497c1 [0,0,0,1,0,0|2,0,0]=3 4649 B10R1.17 CCCCN1CCCSC1 3436d4b3e6b8287e1d49e62eb53a9454 [0,0,0,1,0,0|2,0,0]=3 4650 B10R1.17 CCCCN1CCOCC1 152b1a329c75a93bd121f47e07044a10 [0,0,0,1,0,0|2,0,0]=3 4651 B10R1.17 CCCCN1CCSCC1 c1f42f06933626359e2e7540405e9343 [0,0,0,1,0,0|2,0,0]=3 4652 B10R1.17 CCCNC1C=CCCC1 291d099b2509778f318df5426b4e0bed [0,0,0,1,0,0|2,0,1]=4 4653 B10R1.17 CCCNC1CCCCC1 116c9b71b1a196b91e387ed3e22d47e2 [0,0,0,1,0,0|2,0,0]=3 4654 B10R1.17 CCCNC1CCCCO1 d5cdd6ff4e5f99587ff93dbd645a16ce [0,0,0,1,0,0|1,0,0]=2 4655 B10R1.17 CCCNC1CCCOC1 b0db4d653e1b2fa8ab6876033f78d80c [0,0,0,1,0,0|3,0,0]=4 4656 B10R1.17 CCCNC1CCOCC1 cbf75c9b190e8f82796995ca83207c37 [0,0,0,1,0,0|3,0,0]=4 4657 B10R1.17 CCCNC1CCSCC1 93a264455b31feaeee19827db5b1a08d [0,0,0,1,0,0|3,0,0]=4 4658 B10R1.17 CCCN[C@@H]1CCCOC1 ebc5dd30f38b86fbd61da31cfd38b4c8 [0,0,0,1,0,0|3,0,0]=4 4659 B10R1.17 CCCN[C@H]1CCCOC1 bc143c247536defafa2112a1da19934d [0,0,0,1,0,0|3,0,0]=4 4660 B10R1.17 CCCOC1C=CCCC1 8a5934bb17746f6e7e093c3a84d62178 [0,0,0,1,0,0|2,0,1]=4 4661 B10R1.17 CCCOC1CCCCC1 a5977ebc84c522370a3bc5745fd0df69 [0,0,0,1,0,0|2,0,0]=3 4662 B10R1.17 CCCOC1CCCCO1 e032b365203d5e61206393eed2791d41 [0,0,0,1,0,0|1,0,0]=2 4663 B10R1.17 CCCOC1CCCOC1 28e12bcfd8e15b8340b0e298f13c2df4 [0,0,0,1,0,0|3,0,0]=4 4664 B10R1.17 CCCOC1CCCSC1 ca37164237c2ca7855212eeba91ebe49 [0,0,0,1,0,0|3,0,0]=4 4665 B10R1.17 CCCOC1CCOCC1 bb8bcf542005b3c5a0c4939cca6ce87a [0,0,0,1,0,0|3,0,0]=4 4666 B10R1.17 CCCOC1CCSCC1 4081d7c400995ebde4b11bb2d95114df [0,0,0,1,0,0|3,0,0]=4 4667 B10R1.17 CCCO[C@@H]1CCCOC1 a25161b5f353e59347a4869c9737c377 [0,0,0,1,0,0|3,0,0]=4 4668 B10R1.17 CCCO[C@H]1CCCOC1 225b9f18238a9863ae2ba931a7c357d6 [0,0,0,1,0,0|3,0,0]=4 4669 B10R1.17 CCNCC1=CCCCC1 64eb125e19167fe6f9817e69b05b7c1a [0,0,0,1,0,0|2,0,1]=4 4670 B10R1.17 CCNCC1CCCCC1 542a60293f152ecf14a309cd5653059e [0,0,0,1,0,0|2,0,0]=3 4671 B10R1.17 CCNCC1CCCCO1 4769074ed8ad458ec27c7c6c33011cb9 [0,0,0,1,0,0|1,0,0]=2 4672 B10R1.17 CCNCC1CCCOC1 df02e7419efd998a781a4e3e689cadf3 [0,0,0,1,0,0|3,0,0]=4 4673 B10R1.17 CCNCC1CCOCC1 a70100cd690775d44f2073652691bef9 [0,0,0,1,0,0|3,0,0]=4 4674 B10R1.17 CCNCC1CCSCC1 589d531f11be01d77fd66432555a0451 [0,0,0,1,0,0|3,0,0]=4 4675 B10R1.17 CCNCC1COCCO1 313b414a214d6b7e414e6ca5e64a7247 [0,0,0,1,0,0|2,0,0]=3 4676 B10R1.17 CCNC[C@@H]1CCCOC1 7c7fc11556df2b9da9beea757a77acc8 [0,0,0,1,0,0|3,0,0]=4 4677 B10R1.17 CCNC[C@H]1CCCOC1 ee1b256a05b731eb5ea70f77ace62139 [0,0,0,1,0,0|3,0,0]=4 4678 B10R1.17 CCNC[C@H]1COCCO1 02f4dbb83ef63ed760be546c198d07f8 [0,0,0,1,0,0|2,0,0]=3 4679 B10R1.17 CCOCC1=CCCCO1 9b88db47ec50600d4096afa558db8c24 [0,0,0,1,0,0|1,0,2]=4 4680 B10R1.17 CCOCC1CCC=CO1 ee16d3c61c75f3ae2eed226b89bc383b [0,0,0,1,0,0|1,0,2]=4 4681 B10R1.17 CCOCC1CCCCC1 add8761bc60b25837d77d4bb73a33c8e [0,0,0,1,0,0|2,0,0]=3 4682 B10R1.17 CCOCC1CCCCO1 70b872ce90931f873adb4dae986b77a3 [0,0,0,1,0,0|1,0,0]=2 4683 B10R1.17 CCOCC1CCCOC1 540bf39e3fa305acb7a57a6c3c3cbf11 [0,0,0,1,0,0|3,0,0]=4 4684 B10R1.17 CCOCC1CCOCC1 bc843b7d36526ade76de306c1a5c99bf [0,0,0,1,0,0|3,0,0]=4 4685 B10R1.17 CCOCC1CCSCC1 b3ed29957cd906e1c476455adb2741a8 [0,0,0,1,0,0|3,0,0]=4 4686 B10R1.17 CCOCC1COCCO1 47c03577644d25df75cf092d2f0873bb [0,0,0,1,0,0|2,0,0]=3 4687 B10R1.17 CCOCN1CCCOC1 6b0743035450bf56bb53246bd6acc885 [0,0,0,1,0,0|3,0,0]=4 4688 B10R1.17 CCOCN1CCCSC1 488db660256500908cd8d561ca5fc735 [0,0,0,1,0,0|3,0,0]=4 4689 B10R1.17 CCOCN1CCOCC1 a9742de5aab4fa8a834c420c28bd4101 [0,0,0,1,0,0|3,0,0]=4 4690 B10R1.17 CCOCN1CCSCC1 b0debfa87d56139f95032076b492a6e9 [0,0,0,1,0,0|3,0,0]=4 4691 B10R1.17 CCOC[C@@H]1CCCCO1 82c130a20690fc6ae68b7469dbf8abb1 [0,0,0,1,0,0|1,0,0]=2 4692 B10R1.17 CCOC[C@@H]1CCCOC1 948b0225f1ff7d3d4fd885631f934d01 [0,0,0,1,0,0|3,0,0]=4 4693 B10R1.17 CCOC[C@@H]1COCCO1 9bb73e0316a89ebc767541ce525b99d2 [0,0,0,1,0,0|2,0,0]=3 4694 B10R1.17 CCOC[C@H]1CCCCO1 737be79825146caaab66eb293128d258 [0,0,0,1,0,0|1,0,0]=2 4695 B10R1.17 CCOC[C@H]1CCCOC1 51faa9aa4bfc0939a2177fe752fe9388 [0,0,0,1,0,0|3,0,0]=4 4696 B10R1.17 CCOC[C@H]1COCCO1 89d7ea20429e572b4383e017d6239179 [0,0,0,1,0,0|2,0,0]=3 4697 B10R1.17 COCCN1CCCOC1 62046ee74330af0377369eb5cc0d4ecd [0,0,0,1,0,0|3,0,0]=4 4698 B10R1.17 COCCN1CCCSC1 8d492828b25192587c19ba6647ce7362 [0,0,0,1,0,0|3,0,0]=4 4699 B10R1.17 COCCN1CCOCC1 46c1ef994ec17434f1b24e2a242fe0cb [0,0,0,1,0,0|3,0,0]=4 4700 B10R1.17 COCCN1CCSCC1 3f8c57998a1841b00e49534506c1a5a9 [0,0,0,1,0,0|3,0,0]=4 4701 B10R1.17 COCOC1CCCCC1 aa4f42d6f5f36c6410d8a31d3ec6c1a1 [0,0,0,1,0,0|3,0,0]=4 4702 B10R1.17 COCOC1CCCCO1 bfd1265fdda37d180d853435483f6dc4 [0,0,0,1,0,0|2,0,0]=3 4703 B10R1.17 CSCCN1CCCOC1 3564a7cdfd9362505672e0ee3c04337b [0,0,0,1,0,0|3,0,0]=4 4704 B10R1.17 CSCCN1CCCSC1 5a53f455291b72f72ed2461f76ef3e20 [0,0,0,1,0,0|3,0,0]=4 4705 B10R1.17 CSCCN1CCOCC1 483fe140bc78ccd1f9fb75d1ab642b60 [0,0,0,1,0,0|3,0,0]=4 4706 B10R1.17 CSCCN1CCSCC1 8c3d0bcbfc42ae3c8c57e72022289087 [0,0,0,1,0,0|3,0,0]=4 4707 B10R1.17 CSCOC1CCCCC1 78f5559130ba9dc39e0f4eb05b8b871b [0,0,0,1,0,0|3,0,0]=4 4708 B10R1.17 CSCOC1CCCCO1 ece85fc6aa9195b286c5442b5992399e [0,0,0,1,0,0|2,0,0]=3 4709 B10R1.17 FCCCN1CCCOC1 6b40fe9458004a5ee1a541274286a884 [0,0,0,1,0,0|3,0,0]=4 4710 B10R1.17 FCCCN1CCCSC1 41f1a22fe7c9691dc6aa51f16a5ad3c4 [0,0,0,1,0,0|3,0,0]=4 4711 B10R1.17 FCCCN1CCOCC1 dfc215e907893e6b913ca6f1677b3e50 [0,0,0,1,0,0|3,0,0]=4 4712 B10R1.17 FCCCN1CCSCC1 6a51d51b849acad05177ed5cb866dc30 [0,0,0,1,0,0|3,0,0]=4 4713 B10R1.17 FCCNC1CCCCC1 d09cb7c8791d8763606ab91eed16a2b4 [0,0,0,1,0,0|3,0,0]=4 4714 B10R1.17 FCCNC1CCCCO1 2a9af6fbe764657a1a4fbb91cc91cb7f [0,0,0,1,0,0|2,0,0]=3 4715 B10R1.17 FCCOC1CCCCC1 df1bd689063f4e026df30e2e086ef822 [0,0,0,1,0,0|3,0,0]=4 4716 B10R1.17 FCCOC1CCCCO1 a4c1ee307a6793b413ced1eb7200c131 [0,0,0,1,0,0|2,0,0]=3 4717 B10R1.17 FCNCC1CCCCC1 f7d98a6eed523a6f2bb56b607a9c2a21 [0,0,0,1,0,0|3,0,0]=4 4718 B10R1.17 FCNCC1CCCCO1 01afbd640890037ed03873ae6c32a367 [0,0,0,1,0,0|2,0,0]=3 4719 B10R1.17 FCNCC1COCCO1 e4ff0023fd73330a7dcfd61f6b6dd5bd [0,0,0,1,0,0|3,0,0]=4 4720 B10R1.17 FCNC[C@H]1COCCO1 d53382bfb1c2ae7a27da303f3cb164ba [0,0,0,1,0,0|3,0,0]=4 4721 B10R1.17 FCOCC1CCCCC1 3c5de1a231fe0982e32f3887259c2808 [0,0,0,1,0,0|3,0,0]=4 4722 B10R1.17 FCOCC1CCCCO1 91ac82775f0bb38aa635369457ad089e [0,0,0,1,0,0|2,0,0]=3 4723 B10R1.17 FCOCC1COCCO1 cf1e3d31f3d266c3495db4dfdfc4f2d1 [0,0,0,1,0,0|3,0,0]=4 4724 B10R1.17 FCOC[C@@H]1CCCCO1 ca1b2cb267bd690707fc848ca799b623 [0,0,0,1,0,0|2,0,0]=3 4725 B10R1.17 FCOC[C@@H]1COCCO1 e2249977640cdbe03528e4bb98536f76 [0,0,0,1,0,0|3,0,0]=4 4726 B10R1.17 FCOC[C@H]1CCCCO1 8ea64adf0799f6fa23f2275a2ca422eb [0,0,0,1,0,0|2,0,0]=3 4727 B10R1.17 FCOC[C@H]1COCCO1 1eeee5af9d88de4afc51cf8e3740fa6e [0,0,0,1,0,0|3,0,0]=4 4728 B10R1.17 ICCNC1CCCCC1 0ea7912ac8efeac273e26921a720b10f [0,0,0,1,0,0|3,0,0]=4 4729 B10R1.17 ICCNC1CCCCO1 cb092baf3770d53fc3031f219b6cf2be [0,0,0,1,0,0|2,0,0]=3 4730 B10R1.17 N#CCNC1CCCCO1 1291655fab4a41aa6e4253f499dcd907 [0,0,0,1,0,0|2,0,1]=4 4731 B10R1.17 N#CCOC1CCCCO1 58cae88d58449b7817e140b96f84c3da [0,0,0,1,0,0|2,0,1]=4 4732 B10R1.17 N#CNCC1CCCCO1 173cb0519998208c2d5350d4920d95bf [0,0,0,1,0,0|2,0,1]=4 4733 B10R1.17 O=CCOC1CCCCO1 32d8779509e070d5970150a4e2a2b467 [0,0,0,1,0,0|2,0,1]=4 4734 B10R1.17 O=CNCC1CCCCO1 d9dd87ecc863fe06086920ca00dce84d [0,0,0,1,0,0|2,0,1]=4 4735 B10R1.17 OCCCN1CCCOC1 18f2d2d784c125b818e5c34c49330116 [0,0,0,1,0,0|3,0,0]=4 4736 B10R1.17 OCCCN1CCCSC1 0798fb4f576727465e9fe0f9e26181b0 [0,0,0,1,0,0|3,0,0]=4 4737 B10R1.17 OCCCN1CCOCC1 72484e70af680f36b48bd08623cff342 [0,0,0,1,0,0|3,0,0]=4 4738 B10R1.17 OCCCN1CCSCC1 9d22c32291ebbb781d7a215e346b000d [0,0,0,1,0,0|3,0,0]=4 4739 B10R1.17 OCCNC1CCCCC1 cb4287e853e6a72233b428168d658cc4 [0,0,0,1,0,0|3,0,0]=4 4740 B10R1.17 OCCNC1CCCCO1 9627ee0b1184683750da74b4898d3c1b [0,0,0,1,0,0|2,0,0]=3 4741 B10R1.17 OCNCC1CCCCC1 a5b6a76774537dc00fb2137d722fa80d [0,0,0,1,0,0|3,0,0]=4 4742 B10R1.17 OCNCC1CCCCO1 e26319eacd4b3b9fe2f5d221cf20f454 [0,0,0,1,0,0|2,0,0]=3 4743 B10R1.17 OCNCC1COCCO1 787a1284f086b4120c3aa82758c80eb1 [0,0,0,1,0,0|3,0,0]=4 4744 B10R1.17 OCNC[C@H]1COCCO1 915edbd7353dc5b95fdc83b968ab125a [0,0,0,1,0,0|3,0,0]=4 4745 B10R1.17 SCCCN1CCCOC1 e9f2a940a843f5cfb24087283cae123c [0,0,0,1,0,0|3,0,0]=4 4746 B10R1.17 SCCCN1CCCSC1 5911d24c487cc925568e583e10c6ef71 [0,0,0,1,0,0|3,0,0]=4 4747 B10R1.17 SCCCN1CCOCC1 d635b887ede7cdab6106293566f11929 [0,0,0,1,0,0|3,0,0]=4 4748 B10R1.17 SCCCN1CCSCC1 66e50dc23059fc04d417e87b4e16aca7 [0,0,0,1,0,0|3,0,0]=4 4749 B10R1.17 SCCNC1CCCCC1 2b5507cafdb152e280f0c0037de00056 [0,0,0,1,0,0|3,0,0]=4 4750 B10R1.17 SCCNC1CCCCO1 7400ef6e57321f4698abec3699dbb3ff [0,0,0,1,0,0|2,0,0]=3 4751 B10R1.17 SCCOC1CCCCC1 c87ab0dd8dcecaf86ae67499587b431b [0,0,0,1,0,0|3,0,0]=4 4752 B10R1.17 SCCOC1CCCCO1 8d5c8c8f834110aae280dd94c2d99dc1 [0,0,0,1,0,0|2,0,0]=3 4753 B10R1.19 CC1CCCCCN1CF f2e8d2685afbeb89327d4163d39ac1be [0,0,0,1,0,0|3,0,0]=4 4754 B10R1.19 CC1CCCCCN1CO 7fd0ada46319669d83937a8f1d5db328 [0,0,0,1,0,0|3,0,0]=4 4755 B10R1.19 CC1CCOCCN1C=O 263ee2b9c309f1e9f4da772f5bbec9c8 [0,0,0,1,0,0|2,0,1]=4 4756 B10R1.19 CC1CCOCCN1CF 0fa7c889bd4082b77707a9b3e3574c83 [0,0,0,1,0,0|2,0,0]=3 4757 B10R1.19 CC1CCOCCN1CO 3f91420b3d31a63d703bacd3abef238d [0,0,0,1,0,0|2,0,0]=3 4758 B10R1.19 CC1CCSCCN1CF 66a3c32c937cb8d11f5aa9f8a6258a19 [0,0,0,1,0,0|2,1,0]=4 4759 B10R1.19 CC1CCSCCN1CO 58b60f2f49973a2084d5b73b6668c5e7 [0,0,0,1,0,0|2,1,0]=4 4760 B10R1.19 CCN1CCCCCC1C de13e8b0193f30afd8e93acc62ce3776 [0,0,0,1,0,0|2,0,0]=3 4761 B10R1.19 CCN1CCCOCC1C 59160fd70cf178e96a33bc73c318ee04 [0,0,0,1,0,0|3,0,0]=4 4762 B10R1.19 CCN1CCOCCC1C 3fca3e3a07ccd23ba44dd84fea789abf [0,0,0,1,0,0|1,0,0]=2 4763 B10R1.19 CCN1CCSCCC1C 5037882ade27741c16f787d34a6d0c7d [0,0,0,1,0,0|1,1,0]=3 4764 B10R1.20 C#CC1COCCN1CC 252e449f2f056a499975bf38348d721e [0,0,0,1,0,0|1,0,2]=4 4765 B10R1.20 CCC1CCCCN1CC e59bd132d9ea30d86bebaa0d98bedd70 [0,0,0,1,0,0|2,0,0]=3 4766 B10R1.20 CCC1CCCCN1CF 83f4716cc7e4f6d65827ffb25b7d2844 [0,0,0,1,0,0|3,0,0]=4 4767 B10R1.20 CCC1CCCCN1CO f04592b71146257a6ad415b03be8a496 [0,0,0,1,0,0|3,0,0]=4 4768 B10R1.20 CCC1COCCN1C=O 22427f43d472f96022f9db01efc397da [0,0,0,1,0,0|2,0,1]=4 4769 B10R1.20 CCC1COCCN1CC 487ce437f5ed039694e93c3fbfcc155f [0,0,0,1,0,0|1,0,0]=2 4770 B10R1.20 CCC1COCCN1CF 9ada13fa55f372b66f0a12ba196a7e22 [0,0,0,1,0,0|2,0,0]=3 4771 B10R1.20 CCC1COCCN1CO d04fe2466fcdf628a053128e1bbb49ed [0,0,0,1,0,0|2,0,0]=3 4772 B10R1.20 CCN1CCCCC1CO 5bad71e078336f74ce33f761a437d62a [0,0,0,1,0,0|3,0,0]=4 4773 B10R1.20 CCN1CCCC[C@@H]1CO 202140ac33a557bd88e3d8af836f5081 [0,0,0,1,0,0|3,0,0]=4 4774 B10R1.20 CCN1CCCC[C@H]1CO d128f80f681e85d5811f2b86e5fa603b [0,0,0,1,0,0|3,0,0]=4 4775 B10R1.20 CCN1CCOCC1C#N df864202618c0bf26285ab81c3a7ca16 [0,0,0,1,0,0|2,0,1]=4 4776 B10R1.20 CCN1CCOCC1CO ce12d7f430e983ded26162119c35d05f [0,0,0,1,0,0|2,0,0]=3 4777 B10R1.20 CCN1CCOC[C@@H]1CO de6f70317101747db1745256fd68aa70 [0,0,0,1,0,0|2,0,0]=3 4778 B10R1.20 CCN1CCOC[C@H]1C#N 2dd40fa317baab3aeec51fe3361c8a4c [0,0,0,1,0,0|2,0,1]=4 4779 B10R1.20 CCN1CCOC[C@H]1CO 0b777a0ad9db3345c0b7847de2b42be2 [0,0,0,1,0,0|2,0,0]=3 4780 B10R1.20 CC[C@@H]1CCCCN1CC bce1f3b2ec8826dc456955b02ea7ade1 [0,0,0,1,0,0|2,0,0]=3 4781 B10R1.20 CC[C@@H]1CCCCN1CF d414731ac3286c0feba93a57d2f539d0 [0,0,0,1,0,0|3,0,0]=4 4782 B10R1.20 CC[C@@H]1CCCCN1CO 1dc28f45ba41b2057927fbbb0710cd91 [0,0,0,1,0,0|3,0,0]=4 4783 B10R1.20 CC[C@@H]1COCCN1C=O ed589f4b9b9f6da9b7b073203dea796e [0,0,0,1,0,0|2,0,1]=4 4784 B10R1.20 CC[C@@H]1COCCN1CC 6803ef8278fe4ace5d930ddd06da6828 [0,0,0,1,0,0|1,0,0]=2 4785 B10R1.20 CC[C@@H]1COCCN1CF 41b46e09c6826ee9d3d65c57f865d997 [0,0,0,1,0,0|2,0,0]=3 4786 B10R1.20 CC[C@@H]1COCCN1CO 954ad8923944bf4df69432c726622e90 [0,0,0,1,0,0|2,0,0]=3 4787 B10R1.20 CC[C@H]1CCCCN1CC 39f156547b02ef9630d29b30f8eee5e3 [0,0,0,1,0,0|2,0,0]=3 4788 B10R1.20 CC[C@H]1CCCCN1CF 76ecf33867104d8a630fbd91cd229ec6 [0,0,0,1,0,0|3,0,0]=4 4789 B10R1.20 CC[C@H]1CCCCN1CO 0d465b51e65cd5be15ace6b8cd981f87 [0,0,0,1,0,0|3,0,0]=4 4790 B10R1.20 CC[C@H]1COCCN1C=O 0a4b19dceb39977aa0cfe203faa0a905 [0,0,0,1,0,0|2,0,1]=4 4791 B10R1.20 CC[C@H]1COCCN1CC 1d3e5bfa7fcc3fca3b7310353e9d399d [0,0,0,1,0,0|1,0,0]=2 4792 B10R1.20 CC[C@H]1COCCN1CF 0d3b2c17269c6224ead63298dfde06d3 [0,0,0,1,0,0|2,0,0]=3 4793 B10R1.20 CC[C@H]1COCCN1CO f1381640d971e6b08a50e718a6c6905e [0,0,0,1,0,0|2,0,0]=3 4794 B10R1.20 OCC1COCCN1CF ea2debe36d8d94b912e7caa8fb9974f2 [0,0,0,1,0,0|3,0,0]=4 4795 B10R1.20 OCC1COCCN1CO 495f97cd948f8c9182c06a1313839b0e [0,0,0,1,0,0|3,0,0]=4 4796 B10R1.20 OC[C@@H]1COCCN1CF 997c00ff37f65d9e12902b525e54244b [0,0,0,1,0,0|3,0,0]=4 4797 B10R1.20 OC[C@@H]1COCCN1CO c22c2b161aec2be701b8f0ed1c7d624c [0,0,0,1,0,0|3,0,0]=4 4798 B10R1.20 OC[C@H]1COCCN1CF ae9ad44f746afd31f044ac96d5831d9f [0,0,0,1,0,0|3,0,0]=4 4799 B10R1.20 OC[C@H]1COCCN1CO 508efafa8b37a41f74192b5e25dfef02 [0,0,0,1,0,0|3,0,0]=4 4800 B10R1.21 BrCCNCC1CCCC1 209fdfb2424e9b0b9a28daf98e840958 [0,0,0,1,0,0|3,0,0]=4 4801 B10R1.21 C#CCCNC1CCCC1 254d968dcdd8fd2f194d6ee44a59ef60 [0,0,0,1,0,0|1,0,2]=4 4802 B10R1.21 C#CCCOC1CCCC1 a40dec22584fa8f2caa78c5751954bf0 [0,0,0,1,0,0|0,0,2]=3 4803 B10R1.21 C#CCCOC1CCCO1 e3a0a54142d250887cf379a0e7172786 [0,0,0,1,0,0|1,0,2]=4 4804 B10R1.21 C#CCCOC1CCOC1 61c5b287025dc11d64e8d85729adf3cc [0,0,0,1,0,0|1,0,2]=4 4805 B10R1.21 C#CCCOC1CCSC1 9c5db843103f591fbe28bece86c631ee [0,0,0,1,0,0|1,0,2]=4 4806 B10R1.21 C#CCCO[C@@H]1CCOC1 0e77f78b37f01c5bdb09cd55fc44cc96 [0,0,0,1,0,0|1,0,2]=4 4807 B10R1.21 C#CCCO[C@@H]1CCSC1 408331477f35056963f9f39c127c394d [0,0,0,1,0,0|1,0,2]=4 4808 B10R1.21 C#CCCO[C@H]1CCOC1 df6d9db90d5f9b5c81302a36c9f4dd09 [0,0,0,1,0,0|1,0,2]=4 4809 B10R1.21 C#CCCO[C@H]1CCSC1 1c49bf749fff516d128b9e063c871b11 [0,0,0,1,0,0|1,0,2]=4 4810 B10R1.21 C/C=C/CNC1CCCC1 f261ba78d73aae5efe1c061484a44dc5 [0,0,0,1,0,0|1,0,2]=4 4811 B10R1.21 C/C=C/COC1CCCC1 bdbe26064b4f1863e9e15d1f2890bcc9 [0,0,0,1,0,0|0,0,2]=3 4812 B10R1.21 C/C=C/COC1CCCO1 065398478186a46e3ebaa26095b8a6f8 [0,0,0,1,0,0|1,0,2]=4 4813 B10R1.21 C/C=C/COC1CCOC1 5446f9b63d16afbe159d69e50884b18b [0,0,0,1,0,0|1,0,2]=4 4814 B10R1.21 C/C=C/COC1CCSC1 68ac5d085ab2c6ebe2056c231f708f71 [0,0,0,1,0,0|1,0,2]=4 4815 B10R1.21 C/C=C/CO[C@@H]1CCOC1 6dce68395c79e62ee373a5146c39cb4b [0,0,0,1,0,0|1,0,2]=4 4816 B10R1.21 C/C=C/CO[C@@H]1CCSC1 b6270a443fc92b224e943a6ee6674b79 [0,0,0,1,0,0|1,0,2]=4 4817 B10R1.21 C/C=C/CO[C@H]1CCOC1 9e5942adfb12ad11ef3c8baf1ed8d611 [0,0,0,1,0,0|1,0,2]=4 4818 B10R1.21 C/C=C/CO[C@H]1CCSC1 e1ef04dff28038a59408c413ea554905 [0,0,0,1,0,0|1,0,2]=4 4819 B10R1.21 C/C=C\CNC1CCCC1 9614c506fb7f31ee4e5e7974a724d35e [0,0,0,1,0,0|1,0,2]=4 4820 B10R1.21 C/C=C\COC1CCCC1 e236b932345e43e30b00a93f0ddc53e0 [0,0,0,1,0,0|0,0,2]=3 4821 B10R1.21 C/C=C\COC1CCCO1 236cfb7898a43610c2ad370e000ea3a3 [0,0,0,1,0,0|1,0,2]=4 4822 B10R1.21 C/C=C\COC1CCOC1 d362434b0ea5e0e0c000c61b31c5f2b0 [0,0,0,1,0,0|1,0,2]=4 4823 B10R1.21 C/C=C\COC1CCSC1 cc28bb80725baa173416f25694cb4d2d [0,0,0,1,0,0|1,0,2]=4 4824 B10R1.21 C/C=C\CO[C@@H]1CCOC1 8eb861e2b32f7a4d744503e8a74307df [0,0,0,1,0,0|1,0,2]=4 4825 B10R1.21 C/C=C\CO[C@@H]1CCSC1 094cf4cd391504cfbeeef151ca8abded [0,0,0,1,0,0|1,0,2]=4 4826 B10R1.21 C/C=C\CO[C@H]1CCOC1 65421899b6ef612e65aabefc206a49f1 [0,0,0,1,0,0|1,0,2]=4 4827 B10R1.21 C/C=C\CO[C@H]1CCSC1 9330881f78dd37519c235637297b75de [0,0,0,1,0,0|1,0,2]=4 4828 B10R1.21 C=CCCNC1CCCC1 c2f631d7041b25649df4ab5bb2abd53b [0,0,0,1,0,0|1,0,2]=4 4829 B10R1.21 C=CCCOC1CCCC1 b634ce48e5f09509293821af8bba1696 [0,0,0,1,0,0|0,0,2]=3 4830 B10R1.21 C=CCCOC1CCCO1 4522e4f603d403cadc2489e603266b24 [0,0,0,1,0,0|1,0,2]=4 4831 B10R1.21 C=CCCOC1CCOC1 410843c25e162039b91816820bda45d2 [0,0,0,1,0,0|1,0,2]=4 4832 B10R1.21 C=CCCOC1CCSC1 24acf9028496fa0a79e7d8009cee945d [0,0,0,1,0,0|1,0,2]=4 4833 B10R1.21 C=CCCO[C@@H]1CCOC1 0693411a4dfa31aa96a3656d4c3840ae [0,0,0,1,0,0|1,0,2]=4 4834 B10R1.21 C=CCCO[C@@H]1CCSC1 0ac19cde673532fdfe9b3a00d1b62abd [0,0,0,1,0,0|1,0,2]=4 4835 B10R1.21 C=CCCO[C@H]1CCOC1 788475d1015ce567085833fcd9730ac0 [0,0,0,1,0,0|1,0,2]=4 4836 B10R1.21 C=CCCO[C@H]1CCSC1 15a85184d019fe1df71d0b369f753307 [0,0,0,1,0,0|1,0,2]=4 4837 B10R1.21 CC#CCNC1CCCC1 3b4de46aa14b49be27e7e82bbc67712e [0,0,0,1,0,0|1,0,2]=4 4838 B10R1.21 CC#CCOC1CCCC1 5406682a4adb6e70f10b56075b255aa6 [0,0,0,1,0,0|0,0,2]=3 4839 B10R1.21 CC#CCOC1CCOC1 702cb78beb054808da6a9daa210b7056 [0,0,0,1,0,0|1,0,2]=4 4840 B10R1.21 CC#CCO[C@@H]1CCOC1 e2313b9b99d0a86c8d9611c9a92f4c44 [0,0,0,1,0,0|1,0,2]=4 4841 B10R1.21 CC#CCO[C@H]1CCOC1 ce1ac819fa490db0d74cc298bc86dfc1 [0,0,0,1,0,0|1,0,2]=4 4842 B10R1.21 CC=CCNC1CCCC1 c8872ea926c5c73bcb9674987bc73c88 [0,0,0,1,0,0|1,0,2]=4 4843 B10R1.21 CC=CCOC1CCCC1 5b0a62dfdbdaa58d7ad6eb6ae47e96b7 [0,0,0,1,0,0|0,0,2]=3 4844 B10R1.21 CC=CCOC1CCOC1 344f7a9b27d582f0bad9cdae4e95e7b9 [0,0,0,1,0,0|1,0,2]=4 4845 B10R1.21 CC=CCO[C@@H]1CCOC1 f16cfbcfda535b6dc5ebe961fc9be72c [0,0,0,1,0,0|1,0,2]=4 4846 B10R1.21 CC=CCO[C@H]1CCOC1 099dc1beeb9dc6f9d160f929f0423f96 [0,0,0,1,0,0|1,0,2]=4 4847 B10R1.21 CCCCCN1CC=CC1 f8ff4ce1fc30a8f02a35f223b9ac83c1 [0,0,0,1,0,0|1,0,2]=4 4848 B10R1.21 CCCCCN1CCSC1 94b912c05cc8e73d4f3c4bf44b225791 [0,0,0,1,0,0|2,0,0]=3 4849 B10R1.21 CCCCNC1CC=CC1 9612f2d30198d7695fe54bfa1233f08e [0,0,0,1,0,0|1,0,2]=4 4850 B10R1.21 CCCCNC1CCCC1 08e09c8d2612655af26d42b5e19552ba [0,0,0,1,0,0|1,0,0]=2 4851 B10R1.21 CCCCNC1CCOC1 4db403bcc5815db40b8d84ab21630418 [0,0,0,1,0,0|2,0,0]=3 4852 B10R1.21 CCCCNC1CCSC1 4d3570f862a29c25cd72bf5880dd84ee [0,0,0,1,0,0|2,0,0]=3 4853 B10R1.21 CCCCN[C@@H]1CCOC1 7b66158977547ec56cd0d81e12e9e7cf [0,0,0,1,0,0|2,0,0]=3 4854 B10R1.21 CCCCN[C@H]1CCOC1 c83845db05ce905f3439f1e223ee35c0 [0,0,0,1,0,0|2,0,0]=3 4855 B10R1.21 CCCCOC1C=CCC1 1f0f3d5e12fa50d4f44075f6b1c06389 [0,0,0,1,0,0|0,0,2]=3 4856 B10R1.21 CCCCOC1CC=CC1 3cfd0eb84a0d9ab7a0d323408ba55e24 [0,0,0,1,0,0|0,0,2]=3 4857 B10R1.21 CCCCOC1CCCC1 d3b2f759259425b9c2ce9a0394e69cde [0,0,0,1,0,0|0,0,0]=1 4858 B10R1.21 CCCCOC1CCCO1 0895124ff10908b56ac50a853beca9be [0,0,0,1,0,0|1,0,0]=2 4859 B10R1.21 CCCCOC1CCOC1 0c0e54260c3060920f0cdc4e3f766f1c [0,0,0,1,0,0|1,0,0]=2 4860 B10R1.21 CCCCOC1CCSC1 ed1b4008c101a6f22f65eea4ce23a259 [0,0,0,1,0,0|1,0,0]=2 4861 B10R1.21 CCCCO[C@@H]1CCOC1 5263e46e317b493f4e4fb085a1414141 [0,0,0,1,0,0|1,0,0]=2 4862 B10R1.21 CCCCO[C@@H]1CCSC1 ae0af9e1f577daa8e43f73253f97c1e2 [0,0,0,1,0,0|1,0,0]=2 4863 B10R1.21 CCCCO[C@H]1CCOC1 11922b1847c99f50d5b23c7d7a089a9f [0,0,0,1,0,0|1,0,0]=2 4864 B10R1.21 CCCCO[C@H]1CCSC1 25320d1dadd46a21b0ec82159226647b [0,0,0,1,0,0|1,0,0]=2 4865 B10R1.21 CCCNCC1CCCC1 6d20394155d3df530face2c16c9304e6 [0,0,0,1,0,0|2,0,0]=3 4866 B10R1.21 CCCNCC1CCCO1 17989f20eff3e86e34afb456a2bc0a94 [0,0,0,1,0,0|3,0,0]=4 4867 B10R1.21 CCCNCC1CCOC1 c7d42288a74d8f47ee1b62574f907d98 [0,0,0,1,0,0|3,0,0]=4 4868 B10R1.21 CCCNC[C@@H]1CCCO1 571f33c391aa41dc09b1462e2c98ed58 [0,0,0,1,0,0|3,0,0]=4 4869 B10R1.21 CCCNC[C@@H]1CCOC1 8134daf00f0330db4e790386169633a7 [0,0,0,1,0,0|3,0,0]=4 4870 B10R1.21 CCCNC[C@H]1CCCO1 3cd25e92767d9a7ad9b4ef71d8fc9b8d [0,0,0,1,0,0|3,0,0]=4 4871 B10R1.21 CCCNC[C@H]1CCOC1 f0899917814853d1e9ff556f7255d90c [0,0,0,1,0,0|3,0,0]=4 4872 B10R1.21 CCCOCC1CCCC1 9ec4067f6ba1a091a75824fa347b24bd [0,0,0,1,0,0|2,0,0]=3 4873 B10R1.21 CCCOCC1CCCO1 baa8ccf330aa1744d961c9756c0cf907 [0,0,0,1,0,0|3,0,0]=4 4874 B10R1.21 CCCOCC1CCCS1 9a600e1f0e584fadde1bd69acf5304ee [0,0,0,1,0,0|3,0,0]=4 4875 B10R1.21 CCCOCC1CCOC1 49b407ef4c1e349558a7fb7e1999afc3 [0,0,0,1,0,0|3,0,0]=4 4876 B10R1.21 CCCOCN1CCCC1 e27d783ea1fbc8e4f86e2dc316632960 [0,0,0,1,0,0|2,0,0]=3 4877 B10R1.21 CCCOC[C@@H]1CCCO1 18d024a7dbc4d7db27483c4a6b14c89d [0,0,0,1,0,0|3,0,0]=4 4878 B10R1.21 CCCOC[C@@H]1CCOC1 a0282af3b76efc34eba5e39ada717a60 [0,0,0,1,0,0|3,0,0]=4 4879 B10R1.21 CCCOC[C@H]1CCCO1 daa168017d9d88a3a9a0c35f3b64adc9 [0,0,0,1,0,0|3,0,0]=4 4880 B10R1.21 CCCOC[C@H]1CCOC1 17c4f619723f7d6980f2b938a7b156c8 [0,0,0,1,0,0|3,0,0]=4 4881 B10R1.21 CCNCCC1CCCC1 4298e7da1f2a581aa4744ee10a845ea5 [0,0,0,1,0,0|2,0,0]=3 4882 B10R1.21 CCNCCC1CCCO1 ec581c3d19e3b2a023c62cdb86e4dc14 [0,0,0,1,0,0|3,0,0]=4 4883 B10R1.21 CCNCCC1CCOC1 29c056bf7cd8bc218b4f10ff9bc72f70 [0,0,0,1,0,0|3,0,0]=4 4884 B10R1.21 CCNCCN1CCCC1 cb2ae72bae99eec79656ba68cf1f52d1 [0,0,0,1,0,0|2,0,0]=3 4885 B10R1.21 CCOCC=C1CCCC1 c7ecf6e376b55aab1b0498f4c33f1ace [0,0,0,1,0,0|2,0,1]=4 4886 B10R1.21 CCOCCC1CCCC1 635c7a31aec6fa4a0699c0f9f96cad8a [0,0,0,1,0,0|2,0,0]=3 4887 B10R1.21 CCOCCC1CCCO1 259f96ba320a3b49deb223b863f40fa3 [0,0,0,1,0,0|3,0,0]=4 4888 B10R1.21 CCOCCC1CCOC1 d92e7a83a9a5496f092befd20d7af638 [0,0,0,1,0,0|3,0,0]=4 4889 B10R1.21 CCOCCN1CCCC1 4ef091450d1a74dd2d2eb7bcfc52c6da [0,0,0,1,0,0|2,0,0]=3 4890 B10R1.21 CCOCCN1CCOC1 03f47392b4ac1a89b2bafba3254526cb [0,0,0,1,0,0|3,0,0]=4 4891 B10R1.21 CCOCCN1CCSC1 2df87fc7f80e96efff2d9dd5dd4863e8 [0,0,0,1,0,0|3,0,0]=4 4892 B10R1.21 CCOCNC1CCCC1 5f00a0b0b1d81e6fca3e5b8c33c04c05 [0,0,0,1,0,0|2,0,0]=3 4893 B10R1.21 CCOCNC1CCOC1 60652525985921b9fb043f91259beb57 [0,0,0,1,0,0|3,0,0]=4 4894 B10R1.21 CCOCNC1CCSC1 9a6105d9c4a81a30ae49ce12f25157c6 [0,0,0,1,0,0|3,0,0]=4 4895 B10R1.21 CCOCN[C@@H]1CCOC1 b36da83e16f8eb3c62e352bc05247d58 [0,0,0,1,0,0|3,0,0]=4 4896 B10R1.21 CCOCN[C@H]1CCOC1 bd0ddc2d1b2032d7b48d79cdd92108f1 [0,0,0,1,0,0|3,0,0]=4 4897 B10R1.21 CCOCOC1C=CCC1 bcf972a6e0e638e38373e88cd97b2772 [0,0,0,1,0,0|1,0,2]=4 4898 B10R1.21 CCOCOC1CC=CC1 fde5396f56d07b41ebc106e203cee5f5 [0,0,0,1,0,0|1,0,2]=4 4899 B10R1.21 CCOCOC1CCCC1 93f0bbd046abc63f27d324ba1f8bac90 [0,0,0,1,0,0|1,0,0]=2 4900 B10R1.21 CCOCOC1CCCO1 7b13a9cd2fcc5eb6415186b3097254aa [0,0,0,1,0,0|2,0,0]=3 4901 B10R1.21 CCOCOC1CCOC1 e4f09af006917e9ab5680c58782320c3 [0,0,0,1,0,0|2,0,0]=3 4902 B10R1.21 CCOCOC1CCSC1 9b6fb037f0bf1645201907d3ef5bddf1 [0,0,0,1,0,0|2,0,0]=3 4903 B10R1.21 CCOCO[C@@H]1CCOC1 a45dcef25fd4f319c97f8125048c67e8 [0,0,0,1,0,0|2,0,0]=3 4904 B10R1.21 CCOCO[C@@H]1CCSC1 c354491973c7da21f82575c08033d863 [0,0,0,1,0,0|2,0,0]=3 4905 B10R1.21 CCOCO[C@H]1CCOC1 e0c5fe672cce0a335de3ff237d02ae70 [0,0,0,1,0,0|2,0,0]=3 4906 B10R1.21 CCOCO[C@H]1CCSC1 f0b895624c03724bda1502a7e3a7d88c [0,0,0,1,0,0|2,0,0]=3 4907 B10R1.21 CCSCCN1CCSC1 fe912eb11bb05b823bbed05a1277bda8 [0,0,0,1,0,0|3,0,0]=4 4908 B10R1.21 COCCCN1CCSC1 74027cddd43def0ff3fa33d9fa106d8b [0,0,0,1,0,0|3,0,0]=4 4909 B10R1.21 COCCNC1CCCC1 b2b13f272f2df241ace27bce01b6eb81 [0,0,0,1,0,0|2,0,0]=3 4910 B10R1.21 COCCNC1CCOC1 5501307e73793089991840acd333e7e9 [0,0,0,1,0,0|3,0,0]=4 4911 B10R1.21 COCCNC1CCSC1 a23c3a7a94d02e03d570563be5ba7337 [0,0,0,1,0,0|3,0,0]=4 4912 B10R1.21 COCCN[C@@H]1CCOC1 4a5ff05dfc631e1a7037276f32d471d4 [0,0,0,1,0,0|3,0,0]=4 4913 B10R1.21 COCCN[C@H]1CCOC1 6891cc2504341ba688e720019b59ed73 [0,0,0,1,0,0|3,0,0]=4 4914 B10R1.21 COCCOC1C=CCC1 0cd5ba86be2d32879058edc9696479cc [0,0,0,1,0,0|1,0,2]=4 4915 B10R1.21 COCCOC1CC=CC1 767d3f61edb231aef68164f2845c523b [0,0,0,1,0,0|1,0,2]=4 4916 B10R1.21 COCCOC1CCCC1 2fb7554c73be4277fc77f5b0187a9358 [0,0,0,1,0,0|1,0,0]=2 4917 B10R1.21 COCCOC1CCCO1 6fe6988288c6f806360bf54a2aa09c24 [0,0,0,1,0,0|2,0,0]=3 4918 B10R1.21 COCCOC1CCOC1 bff012fe60861c0c858a51fcac463212 [0,0,0,1,0,0|2,0,0]=3 4919 B10R1.21 COCCOC1CCSC1 17987b7d9a9a3bfa42752b6eb19a2902 [0,0,0,1,0,0|2,0,0]=3 4920 B10R1.21 COCCO[C@@H]1CCOC1 7fd43f2b42a4502db454cb83c79a4159 [0,0,0,1,0,0|2,0,0]=3 4921 B10R1.21 COCCO[C@@H]1CCSC1 877035958956712be243b391680b7fec [0,0,0,1,0,0|2,0,0]=3 4922 B10R1.21 COCCO[C@H]1CCOC1 4cb3da5d1fa8d527b7d3af06586e0a42 [0,0,0,1,0,0|2,0,0]=3 4923 B10R1.21 COCCO[C@H]1CCSC1 eedd5de251af139419da3240db0c08d4 [0,0,0,1,0,0|2,0,0]=3 4924 B10R1.21 COCNCC1CCCC1 63bce0532144655f136fd5de5d483acf [0,0,0,1,0,0|3,0,0]=4 4925 B10R1.21 COCOCC1CCCC1 461d5d83c61018a3c89261fac5bac84e [0,0,0,1,0,0|3,0,0]=4 4926 B10R1.21 COCOCN1CCCC1 a1a646ec258e29ce886859007a70a655 [0,0,0,1,0,0|3,0,0]=4 4927 B10R1.21 CSCCCN1CCSC1 7e676ceb45c0c7ef7219e8e22ca6c157 [0,0,0,1,0,0|3,0,0]=4 4928 B10R1.21 CSCCNC1CCCC1 921830d84e57f6d3484c37184d5a10a8 [0,0,0,1,0,0|2,0,0]=3 4929 B10R1.21 CSCCNC1CCOC1 c012da793edeee3e5a5144726b4c4320 [0,0,0,1,0,0|3,0,0]=4 4930 B10R1.21 CSCCNC1CCSC1 efea2865433cf6716e6936029c4f71b5 [0,0,0,1,0,0|3,0,0]=4 4931 B10R1.21 CSCCN[C@@H]1CCOC1 4238b92b5385fa3295453c1859fa28be [0,0,0,1,0,0|3,0,0]=4 4932 B10R1.21 CSCCN[C@H]1CCOC1 abefbcdcc5447f1db6f5c66dc6fa1663 [0,0,0,1,0,0|3,0,0]=4 4933 B10R1.21 CSCCOC1C=CCC1 535985134521513609069a8ea3d13c83 [0,0,0,1,0,0|1,0,2]=4 4934 B10R1.21 CSCCOC1CC=CC1 e94e7947b879e3b4dcccdcd1c20a1d9b [0,0,0,1,0,0|1,0,2]=4 4935 B10R1.21 CSCCOC1CCCC1 7ab19f07e49494a6f9de4db4ae4cfda7 [0,0,0,1,0,0|1,0,0]=2 4936 B10R1.21 CSCCOC1CCCO1 3090baab673905d1c7869b333abd386d [0,0,0,1,0,0|2,0,0]=3 4937 B10R1.21 CSCCOC1CCOC1 a73391fe8c51ea0cf2955c8a89916836 [0,0,0,1,0,0|2,0,0]=3 4938 B10R1.21 CSCCOC1CCSC1 31ea92dbe42d6ee6d4aa12e942ddbec1 [0,0,0,1,0,0|2,0,0]=3 4939 B10R1.21 CSCCO[C@@H]1CCOC1 26e1b5253f9c7a7e4308a5f429cb2b20 [0,0,0,1,0,0|2,0,0]=3 4940 B10R1.21 CSCCO[C@@H]1CCSC1 51450e04b3ddc7c51d40f3e86ce22dd1 [0,0,0,1,0,0|2,0,0]=3 4941 B10R1.21 CSCCO[C@H]1CCOC1 b1c4b367844b617542c69b1d584cd7d3 [0,0,0,1,0,0|2,0,0]=3 4942 B10R1.21 CSCCO[C@H]1CCSC1 48a3efcb55f20a74e52563fc183f9bd5 [0,0,0,1,0,0|2,0,0]=3 4943 B10R1.21 CSCNCC1CCCC1 f46a233366e23ae1f6034eef1cb0ed85 [0,0,0,1,0,0|3,0,0]=4 4944 B10R1.21 CSCOCC1CCCC1 2e9d1aa6c4eec9a4bf4c442653d1fac0 [0,0,0,1,0,0|3,0,0]=4 4945 B10R1.21 CSCOCN1CCCC1 51e105072044dbe8c351f3752129ec25 [0,0,0,1,0,0|3,0,0]=4 4946 B10R1.21 Cl/C=C/COC1CCCC1 696f90ed6b34b23215cac4fcba51048f [0,0,0,1,0,0|1,0,2]=4 4947 B10R1.21 Cl/C=C\COC1CCCC1 f415aaca0553e72775bada721f503ba6 [0,0,0,1,0,0|1,0,2]=4 4948 B10R1.21 ClC=CCOC1CCCC1 3c07e652965fa9e33ad8f4d5988d2e6f [0,0,0,1,0,0|1,0,2]=4 4949 B10R1.21 ClCCCNC1CCCC1 556c9f07d838a09aa6dff6f8edf7bf05 [0,0,0,1,0,0|2,0,0]=3 4950 B10R1.21 ClCCCNC1CCOC1 f83c595cb84d351a97572a627c210055 [0,0,0,1,0,0|3,0,0]=4 4951 B10R1.21 ClCCCN[C@@H]1CCOC1 63c26c9972fa43218294c822eaf9b590 [0,0,0,1,0,0|3,0,0]=4 4952 B10R1.21 ClCCCN[C@H]1CCOC1 db574c47081b45bca893c6e3ce78df28 [0,0,0,1,0,0|3,0,0]=4 4953 B10R1.21 FCCCCN1CCSC1 2476940664c881e6e2c2bda4d598cbd8 [0,0,0,1,0,0|3,0,0]=4 4954 B10R1.21 FCCCNC1CCCC1 54c6fff5a6eeaf657176247337e674a7 [0,0,0,1,0,0|2,0,0]=3 4955 B10R1.21 FCCCNC1CCOC1 08f804010d4c3db8d4e398a03f14a65b [0,0,0,1,0,0|3,0,0]=4 4956 B10R1.21 FCCCNC1CCSC1 23bfbda5117975eae38395f7d243ee26 [0,0,0,1,0,0|3,0,0]=4 4957 B10R1.21 FCCCN[C@@H]1CCOC1 0849c937f532c3d7de5cbfb7ac46b6ff [0,0,0,1,0,0|3,0,0]=4 4958 B10R1.21 FCCCN[C@H]1CCOC1 c80b44dc1d9a863fcc1a9f95f0ee573f [0,0,0,1,0,0|3,0,0]=4 4959 B10R1.21 FCCCOC1C=CCC1 db6946a8f503e61166afde6aed56ceaf [0,0,0,1,0,0|1,0,2]=4 4960 B10R1.21 FCCCOC1CC=CC1 e2344e9bdca7e349517c9a7bd13e1a70 [0,0,0,1,0,0|1,0,2]=4 4961 B10R1.21 FCCCOC1CCCC1 a96604e348bc7f035383f0f22ede693e [0,0,0,1,0,0|1,0,0]=2 4962 B10R1.21 FCCCOC1CCCO1 ea443c680620698643150b7e6e85442a [0,0,0,1,0,0|2,0,0]=3 4963 B10R1.21 FCCCOC1CCOC1 332aec15d1615eb0f265d24e58353c55 [0,0,0,1,0,0|2,0,0]=3 4964 B10R1.21 FCCCOC1CCSC1 5ad6a840b60d751741d7936247b20c61 [0,0,0,1,0,0|2,0,0]=3 4965 B10R1.21 FCCCO[C@@H]1CCOC1 d5190b57790b785506341be4b229335a [0,0,0,1,0,0|2,0,0]=3 4966 B10R1.21 FCCCO[C@@H]1CCSC1 11d8faf0542f19f9057cb18574c88e1c [0,0,0,1,0,0|2,0,0]=3 4967 B10R1.21 FCCCO[C@H]1CCOC1 5ffc9df1ae3ca697f053f530796b671c [0,0,0,1,0,0|2,0,0]=3 4968 B10R1.21 FCCCO[C@H]1CCSC1 8382b9db954a3fc3e94efec058a24073 [0,0,0,1,0,0|2,0,0]=3 4969 B10R1.21 FCCNCC1CCCC1 ee4b6d01ea06de1b06a177811a97684c [0,0,0,1,0,0|3,0,0]=4 4970 B10R1.21 FCCOCC1CCCC1 d888ffec0068cd43d0efabd20a06333c [0,0,0,1,0,0|3,0,0]=4 4971 B10R1.21 FCCOCN1CCCC1 06d220160a88ddb8af5c549dac483d8e [0,0,0,1,0,0|3,0,0]=4 4972 B10R1.21 FCNCCC1CCCC1 bd96b4cd240658646a83774e683e2101 [0,0,0,1,0,0|3,0,0]=4 4973 B10R1.21 FCNCCN1CCCC1 5e0574a5dc4df363b5b3a2a97dc4d028 [0,0,0,1,0,0|3,0,0]=4 4974 B10R1.21 FCOCCC1CCCC1 620d6c2b1aea18621a0b99f63dd13263 [0,0,0,1,0,0|3,0,0]=4 4975 B10R1.21 FCOCCN1CCCC1 53b3d4c2556369ae89912e06073112c5 [0,0,0,1,0,0|3,0,0]=4 4976 B10R1.21 IC#CCOC1CCCC1 1682c0fa94e7c1d96c147bda7b3e93f3 [0,0,0,1,0,0|1,0,2]=4 4977 B10R1.21 ICCNCC1CCCC1 c51f5c4533e80246823ced8c6e67e932 [0,0,0,1,0,0|3,0,0]=4 4978 B10R1.21 N#CCCNC1CCCC1 a96c98fd458532e76e7ca5607c9ee9fd [0,0,0,1,0,0|2,0,1]=4 4979 B10R1.21 N#CCCOC1CCCC1 ddf38dcdfedc58b2651d3c49cb045f00 [0,0,0,1,0,0|1,0,1]=3 4980 B10R1.21 N#CCCOC1CCCO1 0597bc7ac024d186c2699e70dbbda8ed [0,0,0,1,0,0|2,0,1]=4 4981 B10R1.21 N#CCCOC1CCOC1 444c444ae7c76a6254431cc53074d81a [0,0,0,1,0,0|2,0,1]=4 4982 B10R1.21 N#CCCOC1CCSC1 91c173fdaf0faa6b95da86eb0d7beccc [0,0,0,1,0,0|2,0,1]=4 4983 B10R1.21 N#CCCO[C@@H]1CCOC1 04b939bfd4b538832a4518d59a33704c [0,0,0,1,0,0|2,0,1]=4 4984 B10R1.21 N#CCCO[C@@H]1CCSC1 30fae73072023d0c727a7f9ecbcffe07 [0,0,0,1,0,0|2,0,1]=4 4985 B10R1.21 N#CCCO[C@H]1CCOC1 3f9a1a22a067b27059a0c3883b812082 [0,0,0,1,0,0|2,0,1]=4 4986 B10R1.21 N#CCCO[C@H]1CCSC1 4e0737e9d8217b2529098bd492e3e1c7 [0,0,0,1,0,0|2,0,1]=4 4987 B10R1.21 N#CSCOC1CCCC1 b51ee0435e8d2dfb768a69c5cb41b7f9 [0,0,0,1,0,0|2,0,1]=4 4988 B10R1.21 NOCCNC1CCCC1 261b00bd4e130e9b6b58da32c460befe [0,0,0,1,0,0|3,0,0]=4 4989 B10R1.21 O=CCCNC1CCCC1 1914d2fc3aea86d2bb1d60fa968d7f69 [0,0,0,1,0,0|2,0,1]=4 4990 B10R1.21 O=CCCOC1CCCC1 6c08475dd920b0e3e0741f3c251acf5f [0,0,0,1,0,0|1,0,1]=3 4991 B10R1.21 O=CCCOC1CCCO1 1835452aff78bbcd262aa2c6ece08a12 [0,0,0,1,0,0|2,0,1]=4 4992 B10R1.21 O=CCCOC1CCOC1 6fce1f1e58a39814d12b4dee41a61333 [0,0,0,1,0,0|2,0,1]=4 4993 B10R1.21 O=CCCOC1CCSC1 567113737b392f164315c8735579b6f0 [0,0,0,1,0,0|2,0,1]=4 4994 B10R1.21 O=CCCO[C@@H]1CCOC1 6aa4bfa6aebcf90e3197de9e1f13e8df [0,0,0,1,0,0|2,0,1]=4 4995 B10R1.21 O=CCCO[C@@H]1CCSC1 2554f3cdd14ceac055ed37fb1bd282a7 [0,0,0,1,0,0|2,0,1]=4 4996 B10R1.21 O=CCCO[C@H]1CCOC1 8011d4c955dd033701641d7519f27aff [0,0,0,1,0,0|2,0,1]=4 4997 B10R1.21 O=CCCO[C@H]1CCSC1 d8a3f44fd4db47d52bb80e37e83f00eb [0,0,0,1,0,0|2,0,1]=4 4998 B10R1.21 OCCCCN1CCSC1 b52e94dd3c2c5cbef03880d2da7e710a [0,0,0,1,0,0|3,0,0]=4 4999 B10R1.21 OCCCNC1CCCC1 d148ff750fa50f347d134ae4ae9ce21b [0,0,0,1,0,0|2,0,0]=3 5000 B10R1.21 OCCCNC1CCOC1 a1f689c71f109487f3e529ad478e8909 [0,0,0,1,0,0|3,0,0]=4 5001 B10R1.21 OCCCNC1CCSC1 442dafbed1c35005b3aeef0d8d6e5448 [0,0,0,1,0,0|3,0,0]=4 5002 B10R1.21 OCCCN[C@@H]1CCOC1 6118a838ccba357df008ef18ef0eefc1 [0,0,0,1,0,0|3,0,0]=4 5003 B10R1.21 OCCCN[C@H]1CCOC1 ba6ddb68353fbad645434dd5a021e883 [0,0,0,1,0,0|3,0,0]=4 5004 B10R1.21 OCCNCC1CCCC1 1b53289eb7e318563e2bb8f5116b5c8a [0,0,0,1,0,0|3,0,0]=4 5005 B10R1.21 OCNCCC1CCCC1 e3b44fdbba65ebe49453434917700b1b [0,0,0,1,0,0|3,0,0]=4 5006 B10R1.21 OCNCCN1CCCC1 d14529ff513d6953fa69bd419fb1ec76 [0,0,0,1,0,0|3,0,0]=4 5007 B10R1.21 SCCCNC1CCCC1 c9025d5720994f34ad7a160751764528 [0,0,0,1,0,0|2,0,0]=3 5008 B10R1.21 SCCCNC1CCOC1 a7653fa1bd04e15082ee253177406c4c [0,0,0,1,0,0|3,0,0]=4 5009 B10R1.21 SCCCNC1CCSC1 98814091717d3ca3074da8604eeefeaa [0,0,0,1,0,0|3,0,0]=4 5010 B10R1.21 SCCCN[C@@H]1CCOC1 5ef581d0436bac39409f56b5e36cf65b [0,0,0,1,0,0|3,0,0]=4 5011 B10R1.21 SCCCN[C@H]1CCOC1 60825e632a2a8575356c6f9f6809dc4a [0,0,0,1,0,0|3,0,0]=4 5012 B10R1.21 SCCCOC1C=CCC1 385f6aba878016865d806fc15eae2fc1 [0,0,0,1,0,0|1,0,2]=4 5013 B10R1.21 SCCCOC1CC=CC1 974f0568d93c4143c03b50db38337e45 [0,0,0,1,0,0|1,0,2]=4 5014 B10R1.21 SCCCOC1CCCC1 b68fc439ce48b968739e11b2a0ef61f5 [0,0,0,1,0,0|1,0,0]=2 5015 B10R1.21 SCCCOC1CCCO1 06caf4355fc26f1e61917feeac8710b7 [0,0,0,1,0,0|2,0,0]=3 5016 B10R1.21 SCCCOC1CCOC1 90767108f5af61e3efe81f1c97ae2278 [0,0,0,1,0,0|2,0,0]=3 5017 B10R1.21 SCCCOC1CCSC1 ba2b1bd3065274b57240e4fc898c690f [0,0,0,1,0,0|2,0,0]=3 5018 B10R1.21 SCCCO[C@@H]1CCOC1 1623e162e39824a15ba77471556e1482 [0,0,0,1,0,0|2,0,0]=3 5019 B10R1.21 SCCCO[C@@H]1CCSC1 2ebbf7ee634b2e7267b10596ca42f15f [0,0,0,1,0,0|2,0,0]=3 5020 B10R1.21 SCCCO[C@H]1CCOC1 c29169538e9d05d0e1c6273f912ecf2a [0,0,0,1,0,0|2,0,0]=3 5021 B10R1.21 SCCCO[C@H]1CCSC1 26cc095c6dc3677a735fcbd292023ea1 [0,0,0,1,0,0|2,0,0]=3 5022 B10R1.21 SCCNCC1CCCC1 5f1715223386900461a36e30bf1620c9 [0,0,0,1,0,0|3,0,0]=4 5023 B10R1.21 SCCOCC1CCCC1 c6070ec10c01f53d403cb6296d04a038 [0,0,0,1,0,0|3,0,0]=4 5024 B10R1.21 SCCOCN1CCCC1 9cd5f630cf61ccc3f43cb8182f1912bb [0,0,0,1,0,0|3,0,0]=4 5025 B10R1.29 C#CCCN1CCCC1C 1baa00b438487aa440bd34e4fa38ee9d [0,0,0,1,0,0|1,0,2]=4 5026 B10R1.29 C#CCCN1CCC[C@@H]1C ad7cf60a937514a16c4a71e3ce13895c [0,0,0,1,0,0|1,0,2]=4 5027 B10R1.29 C#CCCN1CCC[C@H]1C 5a2022853efab4519ebd36a35d3ad759 [0,0,0,1,0,0|1,0,2]=4 5028 B10R1.29 C/C=C/CN1CCCC1C d3bf08d58af0384d01155fb1f7fbf4ca [0,0,0,1,0,0|1,0,2]=4 5029 B10R1.29 C/C=C/CN1CCC[C@@H]1C ab2022e9daae23606a7974863edbe05d [0,0,0,1,0,0|1,0,2]=4 5030 B10R1.29 C/C=C/CN1CCC[C@H]1C dfcb9c98d4c5504757f61629a7957123 [0,0,0,1,0,0|1,0,2]=4 5031 B10R1.29 C/C=C\CN1CCCC1C c8362402d596ce5ec221abfd9ce2a8d3 [0,0,0,1,0,0|1,0,2]=4 5032 B10R1.29 C/C=C\CN1CCC[C@@H]1C 5c3f6b9ff1e866f905289a8143d9b21d [0,0,0,1,0,0|1,0,2]=4 5033 B10R1.29 C/C=C\CN1CCC[C@H]1C b37dd7564b2135e16d33483cf2421b28 [0,0,0,1,0,0|1,0,2]=4 5034 B10R1.29 C=CCCN1CCCC1C 11da0cda58276bdb648c885b2724668a [0,0,0,1,0,0|1,0,2]=4 5035 B10R1.29 C=CCCN1CCC[C@@H]1C 5af7b41cf3d5a7541a186aee0e85e1dc [0,0,0,1,0,0|1,0,2]=4 5036 B10R1.29 C=CCCN1CCC[C@H]1C 29f4c73b2045fa6b155929948bebfc6f [0,0,0,1,0,0|1,0,2]=4 5037 B10R1.29 CC1CCCC1COCF a632f06cdcd6d125d2f5cea4fbea4103 [0,0,0,1,0,0|3,0,0]=4 5038 B10R1.29 CC1CCCC1OCCF a8705d6b93022d6503b62cccd003df65 [0,0,0,1,0,0|3,0,0]=4 5039 B10R1.29 CC1CCCC1OCCS 0ac56a13ba1a1ac31a14f8e0a4b8310b [0,0,0,1,0,0|3,0,0]=4 5040 B10R1.29 CC1CCCN1CCC#N 9848925c25a72c89fc33e640bb92b24e [0,0,0,1,0,0|2,0,1]=4 5041 B10R1.29 CC1CCCN1CCC=O 5b6bc96d2b86299fa822ca2dc5e59630 [0,0,0,1,0,0|2,0,1]=4 5042 B10R1.29 CC1CCCN1CCCF 11f2ced60408abaec056ae2abc7bc4af [0,0,0,1,0,0|2,0,0]=3 5043 B10R1.29 CC1CCCN1CCCO 2d712e99290b0e82bc806ffaf57e9e7c [0,0,0,1,0,0|2,0,0]=3 5044 B10R1.29 CC1CCCN1CCCS e172c2bd2bb8b48c08d810f8ee3f3507 [0,0,0,1,0,0|2,0,0]=3 5045 B10R1.29 CC1CCOC1COCF d639f77506d73836fca5e8b780c7a07c [0,0,0,1,0,0|2,0,0]=3 5046 B10R1.29 CC1SCCN1CCCF f545c6c852a7a89b82b91c57237f4174 [0,0,0,1,0,0|3,0,0]=4 5047 B10R1.29 CC1SCCN1CCCO 9eee01c537eff5f71752157faa91c61f [0,0,0,1,0,0|3,0,0]=4 5048 B10R1.29 CC1SCCN1CCCS c4847cc8670c8b9fc0baffc162cb9d12 [0,0,0,1,0,0|3,0,0]=4 5049 B10R1.29 CCCCN1CCCC1C 273db336e81d7d087088482fdf2c20e1 [0,0,0,1,0,0|1,0,0]=2 5050 B10R1.29 CCCCN1CCCC1O 757b46c72fc162a07bb961fb1e71a734 [0,0,0,1,0,0|2,0,0]=3 5051 B10R1.29 CCCCN1CCC[C@@H]1C 4b97e28e877b65c249e6c0aca8b8c62a [0,0,0,1,0,0|1,0,0]=2 5052 B10R1.29 CCCCN1CCC[C@H]1C 3564ec0323723552a4ea84b023caa03b [0,0,0,1,0,0|1,0,0]=2 5053 B10R1.29 CCCCN1CCSC1C d6ed47c594344d6eb23b37f879a0b76b [0,0,0,1,0,0|2,0,0]=3 5054 B10R1.29 CCCNC1CCCC1O cedbcd24f28a0e5914eb71b366cc8fda [0,0,0,1,0,0|3,0,0]=4 5055 B10R1.29 CCCN[C@@H]1CCC[C@@H]1O ffc5a42e02cfd1fac987906c1f4bc679 [0,0,0,1,0,0|3,0,0]=4 5056 B10R1.29 CCCN[C@@H]1CCC[C@H]1O c213955fc1ffadcc08acd74a5dbdce8a [0,0,0,1,0,0|3,0,0]=4 5057 B10R1.29 CCCN[C@H]1CCC[C@@H]1O 8d45188f8d87b8c9a989fe85bbb5667b [0,0,0,1,0,0|3,0,0]=4 5058 B10R1.29 CCCN[C@H]1CCC[C@H]1O 9b96df16b213c46c3eec569555175f33 [0,0,0,1,0,0|3,0,0]=4 5059 B10R1.29 CCCOC1CCCC1C a4408791a0c3f934dd29fe9e072eeae3 [0,0,0,1,0,0|2,0,0]=3 5060 B10R1.29 CCCOC1COCC1C 4a2070c62c081add38e88fbbbcffa5d7 [0,0,0,1,0,0|3,0,0]=4 5061 B10R1.29 CCCO[C@@H]1CCC[C@@H]1C 34b53a463e4cecddb86e4e5b656bd615 [0,0,0,1,0,0|2,0,0]=3 5062 B10R1.29 CCCO[C@@H]1CCC[C@H]1C 781e4011c9e247694de02315e1658713 [0,0,0,1,0,0|2,0,0]=3 5063 B10R1.29 CCCO[C@@H]1CCC[C@H]1F 53c2b927bac4a2ead069ef9765ce7608 [0,0,0,1,0,0|3,0,0]=4 5064 B10R1.29 CCCO[C@@H]1COC[C@@H]1C eaa323bd9554bddfb98ffdb41d629473 [0,0,0,1,0,0|3,0,0]=4 5065 B10R1.29 CCCO[C@H]1CCC[C@@H]1C 19b544eb5fd0f83e5ab3c26ca8e2ab4d [0,0,0,1,0,0|2,0,0]=3 5066 B10R1.29 CCCO[C@H]1CCC[C@H]1C 625b8b47f19a3bae39a7290d7e5db65a [0,0,0,1,0,0|2,0,0]=3 5067 B10R1.29 CCCO[C@H]1COC[C@@H]1C 903330dad0b280fc42200b85b90c244f [0,0,0,1,0,0|3,0,0]=4 5068 B10R1.29 CCCO[C@H]1COC[C@H]1C 5e3df18769bb28de0ce9d45bdac6dcd8 [0,0,0,1,0,0|3,0,0]=4 5069 B10R1.29 CCNCC1CCCC1O 5c88bc87edde4d367fe4b308166a3302 [0,0,0,1,0,0|3,0,0]=4 5070 B10R1.29 CCNCC1CCCN1C 8191aa72290de3ef31bade4d616688a0 [0,0,0,1,0,0|3,0,0]=4 5071 B10R1.29 CCNC[C@@H]1CCCN1C 908b84b91c59f5017ea358b34a0c8c3b [0,0,0,1,0,0|3,0,0]=4 5072 B10R1.29 CCNC[C@H]1CCCN1C 21ac54759881bece84d6e5a22e11d05b [0,0,0,1,0,0|3,0,0]=4 5073 B10R1.29 CCOCC1CCCC1C 3dd0354bba6cc185ef46046e09c2de2b [0,0,0,1,0,0|2,0,0]=3 5074 B10R1.29 CCOCC1CCCN1C d084211b28dff47de9ea7b4cffd2744b [0,0,0,1,0,0|3,0,0]=4 5075 B10R1.29 CCOCC1COCC1C 014a0640f2cab9ff864c0b95347af495 [0,0,0,1,0,0|3,0,0]=4 5076 B10R1.29 CCOCC1OCCC1C 0f3213104c3a56e9ddb9e01ead832aaf [0,0,0,1,0,0|1,0,0]=2 5077 B10R1.29 CCOCN1CCCC1C d7c2a4dbc2afce881d974429efe16e5d [0,0,0,1,0,0|2,0,0]=3 5078 B10R1.29 CCOCN1CCCC1O 60fd5e8845591d9bf11cf994b925f49c [0,0,0,1,0,0|3,0,0]=4 5079 B10R1.29 CCOCN1CCC[C@@H]1C ffd949563e68180de108274d097737a5 [0,0,0,1,0,0|2,0,0]=3 5080 B10R1.29 CCOCN1CCC[C@H]1C dc71e0dc0b6ba1930fe9ca5d9084cf78 [0,0,0,1,0,0|2,0,0]=3 5081 B10R1.29 CCOCN1CCSC1C a6ce6b3af42ec01843703044424ec4f5 [0,0,0,1,0,0|3,0,0]=4 5082 B10R1.29 CCOC[C@@H]1CCCN1C e057805ed7ed7b3985740bb56a814c13 [0,0,0,1,0,0|3,0,0]=4 5083 B10R1.29 CCOC[C@@H]1CCC[C@H]1F e483cd6d38d84750b7ad431c0beac3fc [0,0,0,1,0,0|3,0,0]=4 5084 B10R1.29 CCOC[C@@H]1CCO[C@@H]1C 247e82ce11db87b44587817be3628dd7 [0,0,0,1,0,0|3,0,0]=4 5085 B10R1.29 CCOC[C@H]1CCCN1C 53abe9b88a4ce42130503b51b9a9d060 [0,0,0,1,0,0|3,0,0]=4 5086 B10R1.29 COCCN1CCCC1C ff9a0d45366132cdfceff99c00f266d4 [0,0,0,1,0,0|2,0,0]=3 5087 B10R1.29 COCCN1CCCC1O 50b02713c468c0181ce07dc574b35fc0 [0,0,0,1,0,0|3,0,0]=4 5088 B10R1.29 COCCN1CCC[C@@H]1C ea062f67c11fe38a38814cb388fdf325 [0,0,0,1,0,0|2,0,0]=3 5089 B10R1.29 COCCN1CCC[C@H]1C d94021878016fde6973efea3be212924 [0,0,0,1,0,0|2,0,0]=3 5090 B10R1.29 COCCN1CCSC1C c43f9e24839b7c73a9f35cf4892d486f [0,0,0,1,0,0|3,0,0]=4 5091 B10R1.29 COCOC1CCCC1C caf038234e0447fe03db08d406f470ba [0,0,0,1,0,0|3,0,0]=4 5092 B10R1.29 COCO[C@@H]1CCC[C@@H]1C feb8d5966929bb445e6db81918bfc7da [0,0,0,1,0,0|3,0,0]=4 5093 B10R1.29 COCO[C@@H]1CCC[C@H]1C bb13a2b61be8a38710cb18ad20571009 [0,0,0,1,0,0|3,0,0]=4 5094 B10R1.29 COCO[C@H]1CCC[C@@H]1C 844fbea04c68fd789585bd27dba5906a [0,0,0,1,0,0|3,0,0]=4 5095 B10R1.29 COCO[C@H]1CCC[C@H]1C 350b5767f8d7767054c733e1e4b57ae0 [0,0,0,1,0,0|3,0,0]=4 5096 B10R1.29 CSCCN1CCCC1C 2eb1b8fc3143e2e954f1e5b05831b43b [0,0,0,1,0,0|2,0,0]=3 5097 B10R1.29 CSCCN1CCCC1O 65f9958334d55be73974a63902427b42 [0,0,0,1,0,0|3,0,0]=4 5098 B10R1.29 CSCCN1CCC[C@@H]1C 86d1991619bc94cc957acbed365e4920 [0,0,0,1,0,0|2,0,0]=3 5099 B10R1.29 CSCCN1CCC[C@H]1C 01ce521d114cd758d259e561606c62ae [0,0,0,1,0,0|2,0,0]=3 5100 B10R1.29 CSCCN1CCSC1C 6a4ec5b3056885c5e5867cc75c3d4c9d [0,0,0,1,0,0|3,0,0]=4 5101 B10R1.29 CSCOC1CCCC1C 9342c6fb64014ea2391f0d2db2cae92d [0,0,0,1,0,0|3,0,0]=4 5102 B10R1.29 CSCO[C@@H]1CCC[C@@H]1C 5257359ef4964d370a74497f4359b442 [0,0,0,1,0,0|3,0,0]=4 5103 B10R1.29 CSCO[C@@H]1CCC[C@H]1C d92d3d11cd1c9d4252b5efb9834b891d [0,0,0,1,0,0|3,0,0]=4 5104 B10R1.29 CSCO[C@H]1CCC[C@@H]1C f6d5929797dd1543e4968fed3f3f51e6 [0,0,0,1,0,0|3,0,0]=4 5105 B10R1.29 CSCO[C@H]1CCC[C@H]1C 860569f0d07f336baf053150cebf867d [0,0,0,1,0,0|3,0,0]=4 5106 B10R1.29 C[C@@H]1CCCN1CCC#N 5a1accf6c18bc0b17a0555e526647600 [0,0,0,1,0,0|2,0,1]=4 5107 B10R1.29 C[C@@H]1CCCN1CCC=O 8a0bae17e258a4ea345bf6458711fcc2 [0,0,0,1,0,0|2,0,1]=4 5108 B10R1.29 C[C@@H]1CCCN1CCCF 87f36d39160c84d01aef0d2fc920c3f5 [0,0,0,1,0,0|2,0,0]=3 5109 B10R1.29 C[C@@H]1CCCN1CCCO 15bc1adb993124a38d500002e3d18606 [0,0,0,1,0,0|2,0,0]=3 5110 B10R1.29 C[C@@H]1CCCN1CCCS 9eb0cc9f2a2044906bbd9890b85d4796 [0,0,0,1,0,0|2,0,0]=3 5111 B10R1.29 C[C@@H]1CCC[C@@H]1OCCF 66a6aced0568036963d808b3ecb33119 [0,0,0,1,0,0|3,0,0]=4 5112 B10R1.29 C[C@@H]1CCC[C@@H]1OCCS 73753052fd8a0c0cb4485b306be41739 [0,0,0,1,0,0|3,0,0]=4 5113 B10R1.29 C[C@@H]1CCC[C@H]1OCCF 2b3bac88c94138bc4b3a082ff5ef0f6e [0,0,0,1,0,0|3,0,0]=4 5114 B10R1.29 C[C@@H]1CCC[C@H]1OCCS 269045f0582cc704a138d4182e8b43e9 [0,0,0,1,0,0|3,0,0]=4 5115 B10R1.29 C[C@H]1CCCN1CCC#N 8ab5e0d87220132159dd2fbea1b50bf2 [0,0,0,1,0,0|2,0,1]=4 5116 B10R1.29 C[C@H]1CCCN1CCC=O 3aed67be6e392774d1c446fe95c8e9ea [0,0,0,1,0,0|2,0,1]=4 5117 B10R1.29 C[C@H]1CCCN1CCCF 0a1f1a0087d5f4b01d35cf39c286d47a [0,0,0,1,0,0|2,0,0]=3 5118 B10R1.29 C[C@H]1CCCN1CCCO 0d25c5f5ad8cdb65c8e328b9aa2c2d19 [0,0,0,1,0,0|2,0,0]=3 5119 B10R1.29 C[C@H]1CCCN1CCCS 8ba8441ed02624ace184a6fd72065a6e [0,0,0,1,0,0|2,0,0]=3 5120 B10R1.29 C[C@H]1CCC[C@@H]1OCCF eac849e768b79ede7d6791442b6ac198 [0,0,0,1,0,0|3,0,0]=4 5121 B10R1.29 C[C@H]1CCC[C@@H]1OCCS 33c92261b7b71efd9f2b78c0881aeabd [0,0,0,1,0,0|3,0,0]=4 5122 B10R1.29 C[C@H]1CCC[C@H]1OCCF 685b7119cb37ae63e71e69cf3ddf5358 [0,0,0,1,0,0|3,0,0]=4 5123 B10R1.29 C[C@H]1CCC[C@H]1OCCS 9aec7e31a09729608a686f29292c060d [0,0,0,1,0,0|3,0,0]=4 5124 B10R1.29 OC1CCCN1CCCF 6b72892d51dded2d24112e67264bb4df [0,0,0,1,0,0|3,0,0]=4 5125 B10R1.29 OC1CCCN1CCCS cc56b5d84ada26a422d8355fdb375bfe [0,0,0,1,0,0|3,0,0]=4 5126 B10R1.29 OCCCN1CCCC1O a42de18780352351e19e2dd907ab9260 [0,0,0,1,0,0|3,0,0]=4 5127 B10R1.37 C#CCCN[C@@H]1CC[C@H]1C b848ee029efad0ba8cd68f2e47efeb2f [0,0,0,1,0,0|1,0,2]=4 5128 B10R1.37 C#CCCN[C@H]1CC[C@H]1C fb2107da087598f9a9aa8352fda77222 [0,0,0,1,0,0|1,0,2]=4 5129 B10R1.37 C#CCCOC1COC1C fac150c258a770b19c5fdf7a0a6700c2 [0,0,0,1,0,0|1,0,2]=4 5130 B10R1.37 C/C=C/CN[C@@H]1CC[C@H]1C 22183f60ca2be77cffc13e8d6a2efcd7 [0,0,0,1,0,0|1,0,2]=4 5131 B10R1.37 C/C=C/CN[C@H]1CC[C@H]1C 8f92c83d01c78f1e090d5f747dbdc887 [0,0,0,1,0,0|1,0,2]=4 5132 B10R1.37 C/C=C/COC1COC1C 5de041c4d5ddbfc76559a0d53977ace2 [0,0,0,1,0,0|1,0,2]=4 5133 B10R1.37 C/C=C\CN[C@@H]1CC[C@H]1C 6d04d50d3c78b7be93c63c198ca00e96 [0,0,0,1,0,0|1,0,2]=4 5134 B10R1.37 C/C=C\CN[C@H]1CC[C@H]1C ff097506ddaaa92e208d5d2f372e01dc [0,0,0,1,0,0|1,0,2]=4 5135 B10R1.37 C/C=C\COC1COC1C d490cf294cd079aa907a3f160f896cb1 [0,0,0,1,0,0|1,0,2]=4 5136 B10R1.37 C=CCCN[C@@H]1CC[C@H]1C 48d5f8a7d027831d1463f73948488fa4 [0,0,0,1,0,0|1,0,2]=4 5137 B10R1.37 C=CCCN[C@H]1CC[C@H]1C 5b247e1f4b6a3ff572f2df2bcf08c6c6 [0,0,0,1,0,0|1,0,2]=4 5138 B10R1.37 C=CCCOC1COC1C bd5d2e5106e91cffdf08db72a6625cdf [0,0,0,1,0,0|1,0,2]=4 5139 B10R1.37 CC#CCOC1COC1C 73cb23cb435fde00b9d60e1bf51ed02f [0,0,0,1,0,0|1,0,2]=4 5140 B10R1.37 CC1OCC1NCCCF 4295fe8ec42dd20cfcd8e2b5c4f1bced [0,0,0,1,0,0|3,0,0]=4 5141 B10R1.37 CC1OCC1NCCCO 1c6c7bdf7973e5f70d58f994dc299b79 [0,0,0,1,0,0|3,0,0]=4 5142 B10R1.37 CC1OCC1NCCCS 47b67a203ac7c701b083cb346cfe9a38 [0,0,0,1,0,0|3,0,0]=4 5143 B10R1.37 CC1OCC1OCCC#N 140c1cd12ecc2a596116b074b6d3f90f [0,0,0,1,0,0|2,0,1]=4 5144 B10R1.37 CC1OCC1OCCC=O 22e82f38c8dd03b70e9ac0e666b16447 [0,0,0,1,0,0|2,0,1]=4 5145 B10R1.37 CC1OCC1OCCCF 8eda6f1e283d945dc230cc48a08e050c [0,0,0,1,0,0|2,0,0]=3 5146 B10R1.37 CC1OCC1OCCCS 0e9cb4b629fd8c887201d90fd7e10b39 [0,0,0,1,0,0|2,0,0]=3 5147 B10R1.37 CCCCNC1CCC1F 659b590f1b1267e6c4e07c8c32d30876 [0,0,0,1,0,0|2,0,0]=3 5148 B10R1.37 CCCCNC1CCC1O 111ecc23438ac3228b364a9d26c3fcf1 [0,0,0,1,0,0|2,0,0]=3 5149 B10R1.37 CCCCNC1COC1C 84b356a9e66c7c7c8357ec6d6187d842 [0,0,0,1,0,0|2,0,0]=3 5150 B10R1.37 CCCCN[C@@H]1CC[C@@H]1O abbe0c48f6439a806f76bcb28631ed2e [0,0,0,1,0,0|2,0,0]=3 5151 B10R1.37 CCCCN[C@@H]1CC[C@H]1C 03586e5023e37af0f65660ae51b966b4 [0,0,0,1,0,0|1,0,0]=2 5152 B10R1.37 CCCCN[C@@H]1CC[C@H]1O 777db253a549cd3732fd513f21b3dda0 [0,0,0,1,0,0|2,0,0]=3 5153 B10R1.37 CCCCN[C@H]1CC[C@@H]1O 5b5af291a30f1d1ca29c4341b11340bf [0,0,0,1,0,0|2,0,0]=3 5154 B10R1.37 CCCCN[C@H]1CC[C@H]1C 35fbf4a27f4eee1a45186737a97871a9 [0,0,0,1,0,0|1,0,0]=2 5155 B10R1.37 CCCCN[C@H]1CC[C@H]1O 1550a978bce20a70dafce712bd8f6ebb [0,0,0,1,0,0|2,0,0]=3 5156 B10R1.37 CCCCOC1CCC1=O 54fa09992c0cf82b2f331559841e5a88 [0,0,0,1,0,0|1,0,1]=3 5157 B10R1.37 CCCCOC1COC1C 7e82e8030d5d9c938aaf11f6975d8434 [0,0,0,1,0,0|1,0,0]=2 5158 B10R1.37 CCCNCC1CCN1C 4695cc6fb9186921dfcf894c57199de2 [0,0,0,1,0,0|3,0,0]=4 5159 B10R1.37 CCCOCC1CCC1F 697653372bf1337640f1ca546825663c [0,0,0,1,0,0|3,0,0]=4 5160 B10R1.37 CCCOCC1CCN1C c0b8cb4b86a91b1a4ec0e1cbc16653b9 [0,0,0,1,0,0|3,0,0]=4 5161 B10R1.37 CCCOC[C@@H]1CCN1C 177b83a7085df995eb9aaa9b7ee5c770 [0,0,0,1,0,0|3,0,0]=4 5162 B10R1.37 CCCOC[C@H]1CCN1C de4ef9a69702ee15812a2a026c5112cd [0,0,0,1,0,0|3,0,0]=4 5163 B10R1.37 CCOCNC1CCC1F bbaca6608cc22a82859507a967ce0913 [0,0,0,1,0,0|3,0,0]=4 5164 B10R1.37 CCOCNC1CCC1O e1c5ce7b5aa41b170d41060797e6912b [0,0,0,1,0,0|3,0,0]=4 5165 B10R1.37 CCOCNC1COC1C 2bb216203b4af592220c080bfa23586a [0,0,0,1,0,0|3,0,0]=4 5166 B10R1.37 CCOCN[C@@H]1CC[C@@H]1O 9d6d92d6b0f6bd2b82202d7afde604c9 [0,0,0,1,0,0|3,0,0]=4 5167 B10R1.37 CCOCN[C@@H]1CC[C@H]1C ab4de038981f92074960d373e2bfca9d [0,0,0,1,0,0|2,0,0]=3 5168 B10R1.37 CCOCN[C@@H]1CC[C@H]1O 961d45285e2f344f67af22204ee51ab3 [0,0,0,1,0,0|3,0,0]=4 5169 B10R1.37 CCOCN[C@H]1CC[C@@H]1O dc4b1a46e646de2679ea9fd94a23862d [0,0,0,1,0,0|3,0,0]=4 5170 B10R1.37 CCOCN[C@H]1CC[C@H]1C 7400c2bd15f52541ab178f94abc5639c [0,0,0,1,0,0|2,0,0]=3 5171 B10R1.37 CCOCN[C@H]1CC[C@H]1O af47901dd35d7566180ec51ec23039f2 [0,0,0,1,0,0|3,0,0]=4 5172 B10R1.37 CCOCOC1COC1C d0c1d8c45218e023f6192a4b8adb7726 [0,0,0,1,0,0|2,0,0]=3 5173 B10R1.37 COCCNC1CCC1F e9a6fba53fa7235be0fb456e0a838505 [0,0,0,1,0,0|3,0,0]=4 5174 B10R1.37 COCCNC1CCC1O 34967329c1e262d935ed7bde6edf8902 [0,0,0,1,0,0|3,0,0]=4 5175 B10R1.37 COCCNC1COC1C 65f1e1a0e45bf058461942f3f44c0584 [0,0,0,1,0,0|3,0,0]=4 5176 B10R1.37 COCCN[C@@H]1CC[C@@H]1O be3fb9f303fbf54a333db8097ad977a0 [0,0,0,1,0,0|3,0,0]=4 5177 B10R1.37 COCCN[C@@H]1CC[C@H]1C 527b82ff5f02872dd6c54df951d3267d [0,0,0,1,0,0|2,0,0]=3 5178 B10R1.37 COCCN[C@@H]1CC[C@H]1O ceef2a9642c2d86be6b41c78f354e2df [0,0,0,1,0,0|3,0,0]=4 5179 B10R1.37 COCCN[C@H]1CC[C@@H]1O 46118d08cf1f88c1113309bc52bc4292 [0,0,0,1,0,0|3,0,0]=4 5180 B10R1.37 COCCN[C@H]1CC[C@H]1C e7dfffb76a72f3da169d1ecb1adedeb8 [0,0,0,1,0,0|2,0,0]=3 5181 B10R1.37 COCCN[C@H]1CC[C@H]1O 07dc555dc45037f8b9939ae7b9333295 [0,0,0,1,0,0|3,0,0]=4 5182 B10R1.37 COCCOC1CCC1=O b7cf68f8e50ed0f73ae35b4a392be8d2 [0,0,0,1,0,0|2,0,1]=4 5183 B10R1.37 COCCOC1COC1C d6753c339a8dafd329b19e74144e63d5 [0,0,0,1,0,0|2,0,0]=3 5184 B10R1.37 CSCCNC1CCC1F fc9575b1e38fe7fd124d578a4b38bd0d [0,0,0,1,0,0|3,0,0]=4 5185 B10R1.37 CSCCNC1CCC1O db6ad31ea53714c5acbf56cea1abb4da [0,0,0,1,0,0|3,0,0]=4 5186 B10R1.37 CSCCNC1COC1C fc95da5794142137b853c6cb27107946 [0,0,0,1,0,0|3,0,0]=4 5187 B10R1.37 CSCCN[C@@H]1CC[C@@H]1O c787ad9ccb503a4fd5cdbe4f088ee87b [0,0,0,1,0,0|3,0,0]=4 5188 B10R1.37 CSCCN[C@@H]1CC[C@H]1C 28ffa1c1ab395fd5c42f574987678f03 [0,0,0,1,0,0|2,0,0]=3 5189 B10R1.37 CSCCN[C@@H]1CC[C@H]1O 4d24c93a68d3ba8d31fc81a67342d495 [0,0,0,1,0,0|3,0,0]=4 5190 B10R1.37 CSCCN[C@H]1CC[C@@H]1O 58f5db897f51bd16c437670c4bc3d842 [0,0,0,1,0,0|3,0,0]=4 5191 B10R1.37 CSCCN[C@H]1CC[C@H]1C 9ed6a74f539046e7f8bc020f84f07a7d [0,0,0,1,0,0|2,0,0]=3 5192 B10R1.37 CSCCN[C@H]1CC[C@H]1O 0bfe9b1b4420ed37b65e3a2a150a807f [0,0,0,1,0,0|3,0,0]=4 5193 B10R1.37 CSCCOC1CCC1=O 17db54454de6a7eed9f072ef27ad27cf [0,0,0,1,0,0|2,0,1]=4 5194 B10R1.37 CSCCOC1COC1C c574a6fe53b630d26abdd3dd6d0c1ad6 [0,0,0,1,0,0|2,0,0]=3 5195 B10R1.37 C[C@@H]1CC[C@@H]1NCCC#N 5fdd522798f2b31943d91fd134deaa60 [0,0,0,1,0,0|2,0,1]=4 5196 B10R1.37 C[C@@H]1CC[C@@H]1NCCC=O 3f28fd4649d50ea0faa997c4f4d11609 [0,0,0,1,0,0|2,0,1]=4 5197 B10R1.37 C[C@@H]1CC[C@@H]1NCCCF 4960a4006c69945078e04ac3f54ca85c [0,0,0,1,0,0|2,0,0]=3 5198 B10R1.37 C[C@@H]1CC[C@@H]1NCCCO 92a00f712089cc92b982dffce857acb8 [0,0,0,1,0,0|2,0,0]=3 5199 B10R1.37 C[C@@H]1CC[C@@H]1NCCCS 455469ce2eab4d3b0510fc964292de09 [0,0,0,1,0,0|2,0,0]=3 5200 B10R1.37 C[C@@H]1CC[C@H]1NCCC#N 8c7e548611bef39c0c34402126f7c422 [0,0,0,1,0,0|2,0,1]=4 5201 B10R1.37 C[C@@H]1CC[C@H]1NCCC=O 8325757333694e2c738d54f0463c8257 [0,0,0,1,0,0|2,0,1]=4 5202 B10R1.37 C[C@@H]1CC[C@H]1NCCCF 4ec0472157d617406838c42f87e18409 [0,0,0,1,0,0|2,0,0]=3 5203 B10R1.37 C[C@@H]1CC[C@H]1NCCCO 6f304058c1fe6a6927966875dc3d8bdc [0,0,0,1,0,0|2,0,0]=3 5204 B10R1.37 C[C@@H]1CC[C@H]1NCCCS 9924366339b1a9f37fc528bab4114e74 [0,0,0,1,0,0|2,0,0]=3 5205 B10R1.37 FC1CCC1NCCCS da8c1400dcf9f2957440783ece6787df [0,0,0,1,0,0|3,0,0]=4 5206 B10R1.37 FCCCNC1CCC1F 2a779108c69b53a1440295862383b64e [0,0,0,1,0,0|3,0,0]=4 5207 B10R1.37 O=C1CCC1OCCCF 982dd84168c3f8c5e3e5ba1f08c83369 [0,0,0,1,0,0|2,0,1]=4 5208 B10R1.37 O=C1CCC1OCCCS 6a0decbc67e7cdc4e73f7311f68f45cb [0,0,0,1,0,0|2,0,1]=4 5209 B10R1.37 OC1CCC1NCCCF 6b0543cc8ae8429cfc0514a112af1b04 [0,0,0,1,0,0|3,0,0]=4 5210 B10R1.37 OC1CCC1NCCCS 8d8adb4398f8832a8058e8a8089010eb [0,0,0,1,0,0|3,0,0]=4 5211 B10R1.37 OCCCNC1CCC1F fa4b13765b6ff76e3df586f307cb6d52 [0,0,0,1,0,0|3,0,0]=4 5212 B10R1.37 OCCCNC1CCC1O 7238d9a213fb64a4cf0ea1c690bbb1c8 [0,0,0,1,0,0|3,0,0]=4 5213 B10R1.37 OCCCN[C@@H]1CC[C@@H]1O bc3f447c7adfc23555b9cd9948a5b703 [0,0,0,1,0,0|3,0,0]=4 5214 B10R1.37 OCCCN[C@@H]1CC[C@H]1O f662274f5795b34c411bac4ef3aec37a [0,0,0,1,0,0|3,0,0]=4 5215 B10R1.37 OCCCN[C@H]1CC[C@@H]1O ced99c3b956d5a8ef0e08ca173f91c9b [0,0,0,1,0,0|3,0,0]=4 5216 B10R1.37 OCCCN[C@H]1CC[C@H]1O ef3a6a156bcbc58a146eaa5f71f35215 [0,0,0,1,0,0|3,0,0]=4 5217 B10R1.37 O[C@@H]1CC[C@@H]1NCCCF e9cdcd0bea1a82bc48063361adae2b4f [0,0,0,1,0,0|3,0,0]=4 5218 B10R1.37 O[C@@H]1CC[C@@H]1NCCCS e967b9b2ee644610ca4d972926b8ee64 [0,0,0,1,0,0|3,0,0]=4 5219 B10R1.37 O[C@@H]1CC[C@H]1NCCCF f8115a9f0d7c806a076cce3fa046ad7b [0,0,0,1,0,0|3,0,0]=4 5220 B10R1.37 O[C@@H]1CC[C@H]1NCCCS e44342037cb85ac4818c46d3821cba59 [0,0,0,1,0,0|3,0,0]=4 5221 B10R1.37 O[C@H]1CC[C@@H]1NCCCF ce1eec7ac136dc5a217b2e14126f4f9b [0,0,0,1,0,0|3,0,0]=4 5222 B10R1.37 O[C@H]1CC[C@@H]1NCCCS 9afb9efaa16b5e2f654031495c4624ea [0,0,0,1,0,0|3,0,0]=4 5223 B10R1.37 O[C@H]1CC[C@H]1NCCCF a9eedd1435ed4dc5cc69cb6cf89b4926 [0,0,0,1,0,0|3,0,0]=4 5224 B10R1.37 O[C@H]1CC[C@H]1NCCCS f2c72243e32a82b4db53d78ba8a964cd [0,0,0,1,0,0|3,0,0]=4 5225 B10R1.56 C#CCCCNC1CC1C 0ffee772e51ae1dfafd2e44900db3f3f [0,0,0,1,0,0|1,0,2]=4 5226 B10R1.56 C#CCCOCC1CC1C 1fab7b96f5eb2459a15da11288135791 [0,0,0,1,0,0|0,0,2]=3 5227 B10R1.56 C#CCCOC[C@@H]1C[C@@H]1C 768d3800da470753a3e677e57cbb9ead [0,0,0,1,0,0|0,0,2]=3 5228 B10R1.56 C#CCCOC[C@@H]1C[C@@H]1F b4efd0a2f6542c66d163a452d5898d07 [0,0,0,1,0,0|1,0,2]=4 5229 B10R1.56 C#CCCOC[C@@H]1C[C@H]1C 1d2c1a0361c177dd0db92b7c31f1a84e [0,0,0,1,0,0|0,0,2]=3 5230 B10R1.56 C#CCCOC[C@@H]1C[C@H]1F c1b7304eafc55352eb5a419b10f2ca1e [0,0,0,1,0,0|1,0,2]=4 5231 B10R1.56 C#CCCOC[C@H]1C[C@@H]1C 07f144be97216bff66e0dcd4e55ecb93 [0,0,0,1,0,0|0,0,2]=3 5232 B10R1.56 C#CCCOC[C@H]1C[C@@H]1F c651bbc8a41d2ea379545d39d3162acf [0,0,0,1,0,0|1,0,2]=4 5233 B10R1.56 C#CCCOC[C@H]1C[C@H]1F d3d8dd0b4b671185bace51558e0b455f [0,0,0,1,0,0|1,0,2]=4 5234 B10R1.56 C/C=C/COCC1CC1C 3ecf0d202a20fc581b530286d26e83ad [0,0,0,1,0,0|0,0,2]=3 5235 B10R1.56 C/C=C/COC[C@@H]1C[C@@H]1C b8685cd0a7e043ca65760e3a20d7a5dd [0,0,0,1,0,0|0,0,2]=3 5236 B10R1.56 C/C=C/COC[C@@H]1C[C@@H]1F d7837cfd2589be6d9107052dcfe446d5 [0,0,0,1,0,0|1,0,2]=4 5237 B10R1.56 C/C=C/COC[C@@H]1C[C@H]1C 69a233d12fc7dc0f2229a178b8adfb9f [0,0,0,1,0,0|0,0,2]=3 5238 B10R1.56 C/C=C/COC[C@@H]1C[C@H]1F 991b2a7e7850faeafff7bb64f48d3074 [0,0,0,1,0,0|1,0,2]=4 5239 B10R1.56 C/C=C/COC[C@H]1C[C@@H]1C 3a2a51d75d073e82f2c9050f1d7f3ac7 [0,0,0,1,0,0|0,0,2]=3 5240 B10R1.56 C/C=C/COC[C@H]1C[C@@H]1F 63e2da41f9a6f80c9c07c4c70e761e4c [0,0,0,1,0,0|1,0,2]=4 5241 B10R1.56 C/C=C/COC[C@H]1C[C@H]1F 1cba18cff894023c0bc02e8e8cd7fe20 [0,0,0,1,0,0|1,0,2]=4 5242 B10R1.56 C/C=C\COCC1CC1C 1ae87990415ecf83da78e2e08bcc33aa [0,0,0,1,0,0|0,0,2]=3 5243 B10R1.56 C/C=C\COC[C@@H]1C[C@@H]1C 619aa6bac43838bcd10ee6fceed8091c [0,0,0,1,0,0|0,0,2]=3 5244 B10R1.56 C/C=C\COC[C@@H]1C[C@@H]1F 6fffb2b113835bb8d712ede2f9279d0c [0,0,0,1,0,0|1,0,2]=4 5245 B10R1.56 C/C=C\COC[C@@H]1C[C@H]1C ca63f742973fd3123c013e986b7f42ac [0,0,0,1,0,0|0,0,2]=3 5246 B10R1.56 C/C=C\COC[C@@H]1C[C@H]1F 7d196b3639f4825e9441b068a13500be [0,0,0,1,0,0|1,0,2]=4 5247 B10R1.56 C/C=C\COC[C@H]1C[C@@H]1C aa7dd85d140ac3d3c0d51aac55cfbf0a [0,0,0,1,0,0|0,0,2]=3 5248 B10R1.56 C/C=C\COC[C@H]1C[C@@H]1F b9ba39046415458404d0d2f4450b12bc [0,0,0,1,0,0|1,0,2]=4 5249 B10R1.56 C/C=C\COC[C@H]1C[C@H]1F d5ffea2b9fa6ec45fbf70811f625479d [0,0,0,1,0,0|1,0,2]=4 5250 B10R1.56 C=C1CC1COCCCC d20632b89e5942cadf8e892a110a30e7 [0,0,0,1,0,0|0,0,2]=3 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aaf0846cd6d3f57d2d8d7327fafdde01 [0,0,0,1,0,0|0,0,2]=3 5263 B10R1.56 C=CCCOC[C@H]1C[C@@H]1F 152e52ad5c80d01ef57a79becffc3fe9 [0,0,0,1,0,0|1,0,2]=4 5264 B10R1.56 C=CCCOC[C@H]1C[C@H]1F f8f3f7e08ec3f68ac07b27ccc02a6605 [0,0,0,1,0,0|1,0,2]=4 5265 B10R1.56 CC/C=C/CNC1CC1C 506b9a5033cf77f8184f87bc8f647f43 [0,0,0,1,0,0|1,0,2]=4 5266 B10R1.56 CC1CC1COC/C=C/Cl cf40fd9aec88ad6f0b9eed7a97c55bf7 [0,0,0,1,0,0|1,0,2]=4 5267 B10R1.56 CC1CC1COC/C=C\Cl 5596a4692fdfb96ede99dfade232e13e [0,0,0,1,0,0|1,0,2]=4 5268 B10R1.56 CC1CC1COCCC#N 37fed6b2caf7d1deb6e950be8dc1420e [0,0,0,1,0,0|1,0,1]=3 5269 B10R1.56 CC1CC1COCCC=O 55f8d2ad65544aff72d910d22379d1b9 [0,0,0,1,0,0|1,0,1]=3 5270 B10R1.56 CC1CC1COCCCF 64607611a92bef51919bed92743a0954 [0,0,0,1,0,0|1,0,0]=2 5271 B10R1.56 CC1CC1COCCCS 6fad5cfa4cd1e1eeeccc31d20f944b8b [0,0,0,1,0,0|1,0,0]=2 5272 B10R1.56 CC1CC1COCSC#N 4ea22999484206d8613dcb898a56b4bb [0,0,0,1,0,0|2,0,1]=4 5273 B10R1.56 CC1CC1NCCCC#N 19eee19fb5b7fc910e16e45014e826ee [0,0,0,1,0,0|2,0,1]=4 5274 B10R1.56 CC1CC1NCCCC=O caf76d238d7fa8f7d9b4fb5800a112f9 [0,0,0,1,0,0|2,0,1]=4 5275 B10R1.56 CC1CC1NCCCCF 0fa6d6c6db6a72e36f54403b82258a0e [0,0,0,1,0,0|2,0,0]=3 5276 B10R1.56 CC1CC1NCCCCO 93fb138d652792199e2c27c8f0d4690b [0,0,0,1,0,0|2,0,0]=3 5277 B10R1.56 CCCCCNC1CC1C c5ac0064d3aa8f0cf62cda7dc95367eb [0,0,0,1,0,0|1,0,0]=2 5278 B10R1.56 CCCCCN[C@@H]1C[C@H]1F 19ef117081534325c7afc4e7e71a8cae [0,0,0,1,0,0|2,0,0]=3 5279 B10R1.56 CCCCCN[C@H]1C[C@@H]1F 67577c6ea2dff3b08af12db59211d323 [0,0,0,1,0,0|2,0,0]=3 5280 B10R1.56 CCCCCN[C@H]1C[C@H]1F 12d8411db28e8161b6586c6d3d82ee59 [0,0,0,1,0,0|2,0,0]=3 5281 B10R1.56 CCCCOCC1CC1C 76dca24a45b0211a32b89fd0da7d3d49 [0,0,0,1,0,0|0,0,0]=1 5282 B10R1.56 CCCCOC[C@@H]1C[C@@H]1C 3d265a80cae5744f6b90eee155c1997f [0,0,0,1,0,0|0,0,0]=1 5283 B10R1.56 CCCCOC[C@@H]1C[C@@H]1F d30e3d89239f0bd84919e06256d74fe2 [0,0,0,1,0,0|1,0,0]=2 5284 B10R1.56 CCCCOC[C@@H]1C[C@H]1C b5a95c5a449f0e8559d0b59df572755a [0,0,0,1,0,0|0,0,0]=1 5285 B10R1.56 CCCCOC[C@@H]1C[C@H]1F 191b6e168d8e4dbaaf1040a0e908a372 [0,0,0,1,0,0|1,0,0]=2 5286 B10R1.56 CCCCOC[C@H]1C[C@@H]1C b5c4a716f2aeb88529724d8ef1b39cb0 [0,0,0,1,0,0|0,0,0]=1 5287 B10R1.56 CCCCOC[C@H]1C[C@@H]1F 8f817d281efff73883558cb492e35e79 [0,0,0,1,0,0|1,0,0]=2 5288 B10R1.56 CCCCOC[C@H]1C[C@H]1F 680d4b82e044e57b90b8d25359c50c36 [0,0,0,1,0,0|1,0,0]=2 5289 B10R1.56 CCOCCNC1CC1C dfe71bd0e52328c7e6931b75a4b04530 [0,0,0,1,0,0|2,0,0]=3 5290 B10R1.56 CCOCCN[C@@H]1C[C@H]1F c60dbe8c4c49febbc514f3841efc4084 [0,0,0,1,0,0|3,0,0]=4 5291 B10R1.56 CCOCCN[C@H]1C[C@@H]1F fd04a2aeb089bd75c989a2a9cfc2330c [0,0,0,1,0,0|3,0,0]=4 5292 B10R1.56 CCOCCN[C@H]1C[C@H]1F e5c61f84ec7205e52b2cdbeeb7841b1a [0,0,0,1,0,0|3,0,0]=4 5293 B10R1.56 CCOCOCC1CC1C 2977c25e2bb0d1ecc4f67f62947e30b0 [0,0,0,1,0,0|1,0,0]=2 5294 B10R1.56 CCOCOC[C@@H]1C[C@@H]1C 0cfe7cc689a92518db6e34ca4f2cf990 [0,0,0,1,0,0|1,0,0]=2 5295 B10R1.56 CCOCOC[C@@H]1C[C@@H]1F d04c282b7562568e742dda239cc0757d [0,0,0,1,0,0|2,0,0]=3 5296 B10R1.56 CCOCOC[C@@H]1C[C@H]1C 1d6d9fe03a3e94765eb457c2bd65c0f3 [0,0,0,1,0,0|1,0,0]=2 5297 B10R1.56 CCOCOC[C@@H]1C[C@H]1F fa38d38dad7fb0a9c54b24b47aaad649 [0,0,0,1,0,0|2,0,0]=3 5298 B10R1.56 CCOCOC[C@H]1C[C@@H]1C baecefb1e9034f35fe8d5a39ac82825f [0,0,0,1,0,0|1,0,0]=2 5299 B10R1.56 CCOCOC[C@H]1C[C@@H]1F dfa3e8635fe1df02a978e59f3110c51c [0,0,0,1,0,0|2,0,0]=3 5300 B10R1.56 CCOCOC[C@H]1C[C@H]1F d9070b7204b9007ba8bc6e66289af037 [0,0,0,1,0,0|2,0,0]=3 5301 B10R1.56 CCSCCNC1CC1C 203791f2d33815ed25d063526873d34f [0,0,0,1,0,0|2,0,0]=3 5302 B10R1.56 CCSCCN[C@@H]1C[C@H]1F f26f0c80babd4b3eeecdedb697b8d40d [0,0,0,1,0,0|3,0,0]=4 5303 B10R1.56 CCSCCN[C@H]1C[C@@H]1F 3de6634fab7c917ee26df2ab708f85a3 [0,0,0,1,0,0|3,0,0]=4 5304 B10R1.56 CCSCCN[C@H]1C[C@H]1F 24b81dab7d5c439a3ca75fac99125f2b [0,0,0,1,0,0|3,0,0]=4 5305 B10R1.56 COCCCNC1CC1C 897c2d25366be518d7bb7cca9bc4469c [0,0,0,1,0,0|2,0,0]=3 5306 B10R1.56 COCCCN[C@@H]1C[C@H]1F ee76e5878fc8fe216c5b6845407b36f5 [0,0,0,1,0,0|3,0,0]=4 5307 B10R1.56 COCCCN[C@H]1C[C@@H]1F 639159233fcecc8017a62d3b880a09e9 [0,0,0,1,0,0|3,0,0]=4 5308 B10R1.56 COCCCN[C@H]1C[C@H]1F f47fe88b0178ad9a02869a241407bdb5 [0,0,0,1,0,0|3,0,0]=4 5309 B10R1.56 COCCOCC1CC1C ed3be569db03409a8da41c9fbed7fd38 [0,0,0,1,0,0|1,0,0]=2 5310 B10R1.56 COCCOC[C@@H]1C[C@@H]1C f6727809291d634cd1677dba8489dbbe [0,0,0,1,0,0|1,0,0]=2 5311 B10R1.56 COCCOC[C@@H]1C[C@@H]1F 43c050571ca391ae4a5d61e0f7106bb6 [0,0,0,1,0,0|2,0,0]=3 5312 B10R1.56 COCCOC[C@@H]1C[C@H]1C 7d2d3d856247d49bf71a411626363084 [0,0,0,1,0,0|1,0,0]=2 5313 B10R1.56 COCCOC[C@@H]1C[C@H]1F d0395b3b4157bd9bf549028f19ef7e4c [0,0,0,1,0,0|2,0,0]=3 5314 B10R1.56 COCCOC[C@H]1C[C@@H]1C e1c537fecd316a06f59bfe75bcca2ab1 [0,0,0,1,0,0|1,0,0]=2 5315 B10R1.56 COCCOC[C@H]1C[C@@H]1F 4c14f49741e4f0d3ba4ebdf78250a8fe [0,0,0,1,0,0|2,0,0]=3 5316 B10R1.56 COCCOC[C@H]1C[C@H]1F cfbe023f6d1dfb72d00b38d63eef7866 [0,0,0,1,0,0|2,0,0]=3 5317 B10R1.56 CSCCCNC1CC1C 47810c1a72649fcd1d11f0b78a5dc915 [0,0,0,1,0,0|2,0,0]=3 5318 B10R1.56 CSCCCN[C@@H]1C[C@H]1F 821bc8fdf67a937486b3087bfc85558f [0,0,0,1,0,0|3,0,0]=4 5319 B10R1.56 CSCCCN[C@H]1C[C@@H]1F 1639453472b50737180632d51ee2ccca [0,0,0,1,0,0|3,0,0]=4 5320 B10R1.56 CSCCCN[C@H]1C[C@H]1F b1114e353d92a44e95d419bfd1335fc8 [0,0,0,1,0,0|3,0,0]=4 5321 B10R1.56 CSCCOCC1CC1C 831a6bcacba03e5173545ae568320e5f [0,0,0,1,0,0|1,0,0]=2 5322 B10R1.56 CSCCOC[C@@H]1C[C@@H]1C 738f7d734fad4117f60e5605c73ac13e [0,0,0,1,0,0|1,0,0]=2 5323 B10R1.56 CSCCOC[C@@H]1C[C@@H]1F 2fa5e215e932e8db40a856c0547ab781 [0,0,0,1,0,0|2,0,0]=3 5324 B10R1.56 CSCCOC[C@@H]1C[C@H]1C e54a62f240f7579a47384db39fb6b867 [0,0,0,1,0,0|1,0,0]=2 5325 B10R1.56 CSCCOC[C@@H]1C[C@H]1F 051dc89bdc590ebcb075f0f1f1a92327 [0,0,0,1,0,0|2,0,0]=3 5326 B10R1.56 CSCCOC[C@H]1C[C@@H]1C ab831ea7ad350b8104f05441ee071a5d [0,0,0,1,0,0|1,0,0]=2 5327 B10R1.56 CSCCOC[C@H]1C[C@@H]1F 2d6aa076003fa009da475b0dac25be4f [0,0,0,1,0,0|2,0,0]=3 5328 B10R1.56 CSCCOC[C@H]1C[C@H]1F 156b65a727670771fd9206aeacd332bf [0,0,0,1,0,0|2,0,0]=3 5329 B10R1.56 C[C@@H]1C[C@H]1COC/C=C/Cl 8b1a15913d5cba513bab942f0fd66baf [0,0,0,1,0,0|1,0,2]=4 5330 B10R1.56 C[C@@H]1C[C@H]1COC/C=C\Cl fc1610bcdd42477420a167c67c49fb66 [0,0,0,1,0,0|1,0,2]=4 5331 B10R1.56 C[C@@H]1C[C@H]1COCCC#N 7e77635e96816e2ad96414f681ab3742 [0,0,0,1,0,0|1,0,1]=3 5332 B10R1.56 C[C@@H]1C[C@H]1COCCC=O 7c94b9113a14646595b2cdbf9334eb37 [0,0,0,1,0,0|1,0,1]=3 5333 B10R1.56 C[C@@H]1C[C@H]1COCCCF 2f5699fed17e2512a7e9ef4e3f3b8529 [0,0,0,1,0,0|1,0,0]=2 5334 B10R1.56 C[C@@H]1C[C@H]1COCCCS de73439ee68fa1f6b7a46653a7d18a61 [0,0,0,1,0,0|1,0,0]=2 5335 B10R1.56 C[C@@H]1C[C@H]1COCSC#N 88c68cd968d1488ff123758096dcc4be [0,0,0,1,0,0|2,0,1]=4 5336 B10R1.56 C[C@H]1C[C@@H]1COC/C=C/Cl f8e53293ba5dabb152cef7152a0f9ff0 [0,0,0,1,0,0|1,0,2]=4 5337 B10R1.56 C[C@H]1C[C@@H]1COC/C=C\Cl d43fa115b4d0d8d46d0d6165518147ac [0,0,0,1,0,0|1,0,2]=4 5338 B10R1.56 C[C@H]1C[C@@H]1COCCC#N 64165bfb15f7959f4c5be59fa2b81794 [0,0,0,1,0,0|1,0,1]=3 5339 B10R1.56 C[C@H]1C[C@@H]1COCCC=O 697809c60b2d02b6e4fb61dfdaccec4e [0,0,0,1,0,0|1,0,1]=3 5340 B10R1.56 C[C@H]1C[C@@H]1COCCCF e612ed25c32733638e74cd72e6791ec8 [0,0,0,1,0,0|1,0,0]=2 5341 B10R1.56 C[C@H]1C[C@@H]1COCCCS ad5dc82e3f89013ddab98758ee3f9c55 [0,0,0,1,0,0|1,0,0]=2 5342 B10R1.56 C[C@H]1C[C@@H]1COCSC#N ad812b2e95a3a667b7e7fb6ea65fd540 [0,0,0,1,0,0|2,0,1]=4 5343 B10R1.56 C[C@H]1C[C@H]1COC/C=C/Cl 174f210abdbd85721552d04e2a9bce3c [0,0,0,1,0,0|1,0,2]=4 5344 B10R1.56 C[C@H]1C[C@H]1COC/C=C\Cl b845052923550f6cdbad83d0546d9e75 [0,0,0,1,0,0|1,0,2]=4 5345 B10R1.56 C[C@H]1C[C@H]1COCCC#N aaa0a30800e14bbc3382622121ebe2fc [0,0,0,1,0,0|1,0,1]=3 5346 B10R1.56 C[C@H]1C[C@H]1COCCC=O 0e2f30616c5389fe26dc5e1447da5a3b [0,0,0,1,0,0|1,0,1]=3 5347 B10R1.56 C[C@H]1C[C@H]1COCCCF fbe82e5336a20d4c74586c234f0dcbdd [0,0,0,1,0,0|1,0,0]=2 5348 B10R1.56 C[C@H]1C[C@H]1COCCCS f0e80629a019cfda7a3f2dba15aa75d0 [0,0,0,1,0,0|1,0,0]=2 5349 B10R1.56 C[C@H]1C[C@H]1COCSC#N 6dbfbb349f0dbff1a3429a17505e5f2b [0,0,0,1,0,0|2,0,1]=4 5350 B10R1.56 FCCCCN[C@@H]1C[C@H]1F b622bd0e8c45e00f00ad060ddc261746 [0,0,0,1,0,0|3,0,0]=4 5351 B10R1.56 FCCCCN[C@H]1C[C@@H]1F 35972d202eccdd572289bc722cd4a374 [0,0,0,1,0,0|3,0,0]=4 5352 B10R1.56 FCCCCN[C@H]1C[C@H]1F 4f8bc55ed2c54dc2ccf3f362c19d1145 [0,0,0,1,0,0|3,0,0]=4 5353 B10R1.56 FCCCOC[C@@H]1C[C@@H]1F 1d7cc39c0ef0a82d6959e5e9d87beaff [0,0,0,1,0,0|2,0,0]=3 5354 B10R1.56 FCCCOC[C@@H]1C[C@H]1F ebe4d3d58a7c81de601581043671809d [0,0,0,1,0,0|2,0,0]=3 5355 B10R1.56 FCCCOC[C@H]1C[C@@H]1F 977bf56b9b356444fc1880c84a6d53a9 [0,0,0,1,0,0|2,0,0]=3 5356 B10R1.56 FCCCOC[C@H]1C[C@H]1F 4cfce47a821ac8cbc4b8277d3ec0c7a7 [0,0,0,1,0,0|2,0,0]=3 5357 B10R1.56 F[C@@H]1C[C@@H]1COCCCS 9c9c926ba31d087eb6a2f5980108f6c5 [0,0,0,1,0,0|2,0,0]=3 5358 B10R1.56 F[C@@H]1C[C@H]1COCCCS 46a966749ae4768b3dcab6ee486f7b7b [0,0,0,1,0,0|2,0,0]=3 5359 B10R1.56 F[C@H]1C[C@@H]1COCCCS 5fb3f8e90362c04c240b4cd658b5468e [0,0,0,1,0,0|2,0,0]=3 5360 B10R1.56 F[C@H]1C[C@H]1COCCCS f37605acb94a261e5abaa8a0d7fe32c4 [0,0,0,1,0,0|2,0,0]=3 5361 B10R1.56 N#CCCOC[C@@H]1C[C@@H]1F 467b43cbeb52d602f6eb7356d91877df [0,0,0,1,0,0|2,0,1]=4 5362 B10R1.56 N#CCCOC[C@@H]1C[C@H]1F 8fd6012db2f19d7876498bd32be0943d [0,0,0,1,0,0|2,0,1]=4 5363 B10R1.56 N#CCCOC[C@H]1C[C@@H]1F db259ca1d74c2f4651d9d8368813fd51 [0,0,0,1,0,0|2,0,1]=4 5364 B10R1.56 N#CCCOC[C@H]1C[C@H]1F 000dc537cb9b39925ae9f0d854fd4d23 [0,0,0,1,0,0|2,0,1]=4 5365 B10R1.56 O=CCCOC[C@@H]1C[C@@H]1F 464de5f29e63315ec51c3ec3775b9c7b [0,0,0,1,0,0|2,0,1]=4 5366 B10R1.56 O=CCCOC[C@@H]1C[C@H]1F b227d7350d21116c3fe4d8b6f29c1f53 [0,0,0,1,0,0|2,0,1]=4 5367 B10R1.56 O=CCCOC[C@H]1C[C@@H]1F 940c2695e4012cd7cd70ba3c8f0e5090 [0,0,0,1,0,0|2,0,1]=4 5368 B10R1.56 O=CCCOC[C@H]1C[C@H]1F c412c06aa93f71775d0b995e8e4dae3c [0,0,0,1,0,0|2,0,1]=4 5369 B10R1.56 OCCCCN[C@@H]1C[C@H]1F e5919a512fcc07bc899a1468c18f54df [0,0,0,1,0,0|3,0,0]=4 5370 B10R1.56 OCCCCN[C@H]1C[C@@H]1F b7701136616d7d7c5e6f98283c0f8bed [0,0,0,1,0,0|3,0,0]=4 5371 B10R1.56 OCCCCN[C@H]1C[C@H]1F 0c4ab96b8722362d0056f848bd8b0fab [0,0,0,1,0,0|3,0,0]=4 5372 B10R1.57 BrCCNCCC1CCC1 03cd2d7b445477ca9d945e85ee771088 [0,0,0,1,0,0|3,0,0]=4 5373 B10R1.57 C#CCCCNC1CCC1 8c53c4ff851a8bc11118dc859f2e1934 [0,0,0,1,0,0|1,0,2]=4 5374 B10R1.57 C#CCCCOC1CCC1 a69d635d463ac8f70e097fd31128cf53 [0,0,0,1,0,0|0,0,2]=3 5375 B10R1.57 C#CCCCOC1COC1 bd9d7a568ae7219e0a22ee3046397465 [0,0,0,1,0,0|1,0,2]=4 5376 B10R1.57 C#CCCCOC1CSC1 573d63cc9cb90aaac645055c957d3833 [0,0,0,1,0,0|1,0,2]=4 5377 B10R1.57 C#CCCNCC1CCC1 86873dedb831e4ef7c9c642df3351e9f [0,0,0,1,0,0|1,0,2]=4 5378 B10R1.57 C#CCCOCC1CCC1 d06a5fd7d54c41f82ad9e424bad8d5ce [0,0,0,1,0,0|0,0,2]=3 5379 B10R1.57 C#CCCOCC1CCO1 2f1f06bd966c5f68630fedadfe6448ef [0,0,0,1,0,0|1,0,2]=4 5380 B10R1.57 C#CCCOCC1COC1 e7cb42bdcb9a80c4666d3c6891eedab2 [0,0,0,1,0,0|1,0,2]=4 5381 B10R1.57 C#CCCOCC1CSC1 76cd965e85e475df217edb6d9093deca [0,0,0,1,0,0|1,0,2]=4 5382 B10R1.57 C#CCCOC[C@@H]1CCO1 cfde3048fb679811bd55383a44b3d444 [0,0,0,1,0,0|1,0,2]=4 5383 B10R1.57 C#CCCOC[C@H]1CCO1 c10c76162bff1372ad9adc774eb88ce5 [0,0,0,1,0,0|1,0,2]=4 5384 B10R1.57 C/C=C/CCOC1CCC1 ccf8a090a860ccfeeed43a7279b7880a [0,0,0,1,0,0|0,0,2]=3 5385 B10R1.57 C/C=C/CCOC1COC1 9cebdffea431d750b9a8b6785314270d [0,0,0,1,0,0|1,0,2]=4 5386 B10R1.57 C/C=C/CNCC1CCC1 6e2c51a31b14ca1a99c9daac901d552a [0,0,0,1,0,0|1,0,2]=4 5387 B10R1.57 C/C=C/COCC1CCC1 536dff0f5be04bfcb3c75a9f74eef8aa [0,0,0,1,0,0|0,0,2]=3 5388 B10R1.57 C/C=C/COCC1CCO1 ec8c74a056e59af1e87a7e1ea58b0dd7 [0,0,0,1,0,0|1,0,2]=4 5389 B10R1.57 C/C=C/COCC1COC1 907fc5b472e0f7d335563fa0b1122feb [0,0,0,1,0,0|1,0,2]=4 5390 B10R1.57 C/C=C/COCC1CSC1 34be84197ea26aa1fa816e8049511130 [0,0,0,1,0,0|1,0,2]=4 5391 B10R1.57 C/C=C/COC[C@@H]1CCO1 d3e02ae3739c0408a055e40e81759947 [0,0,0,1,0,0|1,0,2]=4 5392 B10R1.57 C/C=C/COC[C@H]1CCO1 58489b53819e6ca167d6b8c9b797fb12 [0,0,0,1,0,0|1,0,2]=4 5393 B10R1.57 C/C=C\CNCC1CCC1 4e103dc900179ed2d4023dbfcc9b412d [0,0,0,1,0,0|1,0,2]=4 5394 B10R1.57 C/C=C\COCC1CCC1 e99bee2e1045190700ce2bd61b001227 [0,0,0,1,0,0|0,0,2]=3 5395 B10R1.57 C/C=C\COCC1CCO1 2f7efa6e9b366027222053d3d10749d0 [0,0,0,1,0,0|1,0,2]=4 5396 B10R1.57 C/C=C\COCC1COC1 51176c69451a736bd23b9d43850f7282 [0,0,0,1,0,0|1,0,2]=4 5397 B10R1.57 C/C=C\COCC1CSC1 69fe060c8b3758c43ea222af2bcd41b7 [0,0,0,1,0,0|1,0,2]=4 5398 B10R1.57 C/C=C\COC[C@@H]1CCO1 9941a0ba8e1445c5a3c0016da72b160f [0,0,0,1,0,0|1,0,2]=4 5399 B10R1.57 C/C=C\COC[C@H]1CCO1 989182680c101700acd20776a5e682df [0,0,0,1,0,0|1,0,2]=4 5400 B10R1.57 C=C=CCCOC1CCC1 fd42867658e7624f9c34aa97d22bf78b [0,0,0,1,0,0|0,0,3]=4 5401 B10R1.57 C=CCCCNC1CCC1 c989fb013087e2d7058d19b8dd122c40 [0,0,0,1,0,0|1,0,2]=4 5402 B10R1.57 C=CCCCOC1CCC1 13c122e0387cb7f138af644cbc67677d [0,0,0,1,0,0|0,0,2]=3 5403 B10R1.57 C=CCCCOC1COC1 93c803073ceb72b70130692da21dcdce [0,0,0,1,0,0|1,0,2]=4 5404 B10R1.57 C=CCCCOC1CSC1 3dfdce365ad466cd71346588075737c9 [0,0,0,1,0,0|1,0,2]=4 5405 B10R1.57 C=CCCNCC1CCC1 b10c21a39998e0c65d207274cc2fdd68 [0,0,0,1,0,0|1,0,2]=4 5406 B10R1.57 C=CCCOCC1CCC1 8f70e5150667e0625f0c807cbaf9ce0e [0,0,0,1,0,0|0,0,2]=3 5407 B10R1.57 C=CCCOCC1CCO1 b6f9b0cbdc332d899df1522a5ee3d350 [0,0,0,1,0,0|1,0,2]=4 5408 B10R1.57 C=CCCOCC1COC1 fd61490f7cb13dca96343babe80f1c3a [0,0,0,1,0,0|1,0,2]=4 5409 B10R1.57 C=CCCOCC1CSC1 5821a370d492c72dfd07acc3e6ec5060 [0,0,0,1,0,0|1,0,2]=4 5410 B10R1.57 C=CCCOC[C@@H]1CCO1 4924a09ed43968c4f557483a98b6d651 [0,0,0,1,0,0|1,0,2]=4 5411 B10R1.57 C=CCCOC[C@H]1CCO1 0f0dc37528b1718c4d82b8354663a851 [0,0,0,1,0,0|1,0,2]=4 5412 B10R1.57 C=COCCOC1CCC1 06d8f8bb807a563f8dfe8557a8b50383 [0,0,0,1,0,0|1,0,2]=4 5413 B10R1.57 CC#CCCOC1CCC1 1e940c6a9c1050ff45efa74bba405c8f [0,0,0,1,0,0|0,0,2]=3 5414 B10R1.57 CC#CCCOC1COC1 7bb0d11b2f4bb57c6f73e19edc667e3f [0,0,0,1,0,0|1,0,2]=4 5415 B10R1.57 CC#CCNCC1CCC1 77a74a4347a871af4ba9c2bf859c20e5 [0,0,0,1,0,0|1,0,2]=4 5416 B10R1.57 CC#CCOCC1CCC1 249266903e99dbb4060622949f929119 [0,0,0,1,0,0|0,0,2]=3 5417 B10R1.57 CC#CCOCC1CCO1 cdbcca2932c0afcfa84dcb25ac7543e4 [0,0,0,1,0,0|1,0,2]=4 5418 B10R1.57 CC#CCOCC1COC1 e21ceb2e301123dedf336bc0fd3dd22d [0,0,0,1,0,0|1,0,2]=4 5419 B10R1.57 CC#CCOC[C@@H]1CCO1 123346f5b0c61419a2d6f3f638e8f0b3 [0,0,0,1,0,0|1,0,2]=4 5420 B10R1.57 CC#CCOC[C@H]1CCO1 3d348a6c2093edbf9dc0f1d7ad14b568 [0,0,0,1,0,0|1,0,2]=4 5421 B10R1.57 CC/C=C/CNC1CCC1 647899b3f60d2c488d7d14b884b2ccde [0,0,0,1,0,0|1,0,2]=4 5422 B10R1.57 CC/C=C/COC1CCC1 36bd1641cd61452c2ab055ec224ed67c [0,0,0,1,0,0|0,0,2]=3 5423 B10R1.57 CC/C=C/COC1COC1 8f96e0798f28460aaec4fac3fd7c9467 [0,0,0,1,0,0|1,0,2]=4 5424 B10R1.57 CC/C=C/COC1CSC1 099655c221ac342f872e33e5cb58e342 [0,0,0,1,0,0|1,0,2]=4 5425 B10R1.57 CC/C=C\COC1CCC1 539524658e0dd3706e704c0ee1eaf59e [0,0,0,1,0,0|0,0,2]=3 5426 B10R1.57 CC/C=C\COC1COC1 f64878263fff02014c20d54d2cfafb5d [0,0,0,1,0,0|1,0,2]=4 5427 B10R1.57 CC=CCNCC1CCC1 7c0841cc02cce42d451c44c8ca2e5495 [0,0,0,1,0,0|1,0,2]=4 5428 B10R1.57 CC=CCOCC1CCC1 ec22647735c0cdfdecf2fb6542f136ae [0,0,0,1,0,0|0,0,2]=3 5429 B10R1.57 CC=CCOCC1CCO1 fbc1218179931d474ed157caf889666d [0,0,0,1,0,0|1,0,2]=4 5430 B10R1.57 CC=CCOCC1COC1 6df7e51a4aac9fa32b465fd4f47e7152 [0,0,0,1,0,0|1,0,2]=4 5431 B10R1.57 CC=CCOC[C@@H]1CCO1 38b31aa2de34faed49f333d75392b8a2 [0,0,0,1,0,0|1,0,2]=4 5432 B10R1.57 CC=CCOC[C@H]1CCO1 fd430c2533919b373b46e58ef0a2afd3 [0,0,0,1,0,0|1,0,2]=4 5433 B10R1.57 CCC#CCNC1CCC1 aed1b6a725ad18d6a8e288426e023cff [0,0,0,1,0,0|1,0,2]=4 5434 B10R1.57 CCC#CCOC1CCC1 0d6967cdfaa3eaf509cbeaabf9167d68 [0,0,0,1,0,0|0,0,2]=3 5435 B10R1.57 CCC#CCOC1COC1 53ad9d88e2160cbd361df83e4803cae0 [0,0,0,1,0,0|1,0,2]=4 5436 B10R1.57 CCC#CCOC1CSC1 72061678d6dbcfafb6fec41566cbf97c [0,0,0,1,0,0|1,0,2]=4 5437 B10R1.57 CCC/C=C/CN1CCC1 5313d1bb52c3fb704ee65287dd02cef8 [0,0,0,1,0,0|2,0,1]=4 5438 B10R1.57 CCC/C=C\CN1CCC1 af2b2567868c83d06a48f3b4ddef0c6c [0,0,0,1,0,0|2,0,1]=4 5439 B10R1.57 CCCCCCN1CCC1 24f62fbe257d33928ef7858f5b1507f5 [0,0,0,1,0,0|2,0,0]=3 5440 B10R1.57 CCCCCNC1CCC1 28480527ffd8e6cfb2715857f45f5b7a [0,0,0,1,0,0|1,0,0]=2 5441 B10R1.57 CCCCCNC1COC1 5484f800dcbf1a32d83c43e3027f3f67 [0,0,0,1,0,0|2,0,0]=3 5442 B10R1.57 CCCCCOC1CCC1 3dce260891d9b053b1d353f59c75b3f5 [0,0,0,1,0,0|0,0,0]=1 5443 B10R1.57 CCCCCOC1COC1 96c067d87e3723d95eeb52a6410f8aea [0,0,0,1,0,0|1,0,0]=2 5444 B10R1.57 CCCCCOC1CSC1 dd53ee5b18bbc75c75e5a10e1007e1b7 [0,0,0,1,0,0|1,0,0]=2 5445 B10R1.57 CCCCNCC1CCC1 ed82d5554de84453073bf2aad874c9dc [0,0,0,1,0,0|1,0,0]=2 5446 B10R1.57 CCCCNCC1CCO1 e9080cc4b4cec8a468c9cf998279be02 [0,0,0,1,0,0|2,0,0]=3 5447 B10R1.57 CCCCNCC1COC1 57207cbc3f9a8779e18a19264d298e07 [0,0,0,1,0,0|2,0,0]=3 5448 B10R1.57 CCCCNC[C@@H]1CCO1 037c7ea4bf931ac66f5c6fae3dc667cb [0,0,0,1,0,0|2,0,0]=3 5449 B10R1.57 CCCCNC[C@H]1CCO1 5ef51163597ba77232d582da5406a629 [0,0,0,1,0,0|2,0,0]=3 5450 B10R1.57 CCCCOCC1CCC1 5b12e9583ebc250a12846b15aad69667 [0,0,0,1,0,0|0,0,0]=1 5451 B10R1.57 CCCCOCC1CCO1 f8cef19a2e61f852bf153a22ccacdf9c [0,0,0,1,0,0|1,0,0]=2 5452 B10R1.57 CCCCOCC1COC1 5dfc27ba5ec269619f51601e95c81778 [0,0,0,1,0,0|1,0,0]=2 5453 B10R1.57 CCCCOCC1CSC1 cd59ab857b28380daa2f5f68fe9a102a [0,0,0,1,0,0|1,0,0]=2 5454 B10R1.57 CCCCOCN1CCC1 e30042389d97f8391dc6ee5ef68f3893 [0,0,0,1,0,0|1,0,0]=2 5455 B10R1.57 CCCCOC[C@@H]1CCO1 820aa780ac9234a310f0730f68d7339a [0,0,0,1,0,0|1,0,0]=2 5456 B10R1.57 CCCCOC[C@H]1CCO1 d16c81773626e910a6cc9c64ed41fd62 [0,0,0,1,0,0|1,0,0]=2 5457 B10R1.57 CCCNCCC1CCC1 821cbc3d0f3452bcc144b54501230d23 [0,0,0,1,0,0|2,0,0]=3 5458 B10R1.57 CCCNCCC1CCO1 9229ebdb0eb178b8d4ace4e27c9fa26b [0,0,0,1,0,0|3,0,0]=4 5459 B10R1.57 CCCNCCC1COC1 9b92b74e259db3278235b439f60509cd [0,0,0,1,0,0|3,0,0]=4 5460 B10R1.57 CCCNCCN1CCC1 a8b2ba2a8984cfa8b6e705a759a5373e [0,0,0,1,0,0|3,0,0]=4 5461 B10R1.57 CCCNCC[C@@H]1CCO1 46a166148892db5d7ce97f7448e0f584 [0,0,0,1,0,0|3,0,0]=4 5462 B10R1.57 CCCOCCC1CCC1 27d4ec58adb426de0fb4e6f9d28b96df [0,0,0,1,0,0|2,0,0]=3 5463 B10R1.57 CCCOCCC1CCO1 937d1e7de0e13baf1e017f90bf59a776 [0,0,0,1,0,0|3,0,0]=4 5464 B10R1.57 CCCOCCC1COC1 839229b3a1548b1ded322ef74e7511b5 [0,0,0,1,0,0|3,0,0]=4 5465 B10R1.57 CCCOCCN1CCC1 d0e70921049478013e4056472fdd9475 [0,0,0,1,0,0|3,0,0]=4 5466 B10R1.57 CCCOCC[C@@H]1CCO1 c3ea0ec00b8446852ba0c1ccb44458a7 [0,0,0,1,0,0|3,0,0]=4 5467 B10R1.57 CCCOCC[C@H]1CCO1 c845c5604b361907273be45fa8ac305d [0,0,0,1,0,0|3,0,0]=4 5468 B10R1.57 CCNCCCN1CCC1 7c8a0b722d389173c71514e7f9c69607 [0,0,0,1,0,0|3,0,0]=4 5469 B10R1.57 CCOCCCC1CCC1 d2f285fc197ea2fdbb7201ce207242e8 [0,0,0,1,0,0|2,0,0]=3 5470 B10R1.57 CCOCCCC1COC1 979fa53ce98892d202da2dd020510c4b [0,0,0,1,0,0|3,0,0]=4 5471 B10R1.57 CCOCCCN1CCC1 fd587142c05ae36cbce68279ef76d1fe [0,0,0,1,0,0|3,0,0]=4 5472 B10R1.57 CCOCCNC1CCC1 e4a05ec25bbe78ac5f9b28a6cc0ebae3 [0,0,0,1,0,0|2,0,0]=3 5473 B10R1.57 CCOCCNC1COC1 60196a5e7a58ab430afa98de4e29a7b5 [0,0,0,1,0,0|3,0,0]=4 5474 B10R1.57 CCOCCOC1CCC1 afdcc9e0cdc2915930bbf40e1cfa732d [0,0,0,1,0,0|1,0,0]=2 5475 B10R1.57 CCOCCOC1COC1 00754ba139e71317ce9a2f4b2ec492a2 [0,0,0,1,0,0|2,0,0]=3 5476 B10R1.57 CCOCCOC1CSC1 c710e93f6e0bdad352f22354a9a05288 [0,0,0,1,0,0|2,0,0]=3 5477 B10R1.57 CCOCNCC1CCC1 5ad391d50e35837c0a687132f465d13d [0,0,0,1,0,0|2,0,0]=3 5478 B10R1.57 CCOCNCC1CCO1 7c9499b65ec47183b97df8f80faab150 [0,0,0,1,0,0|3,0,0]=4 5479 B10R1.57 CCOCNCC1COC1 9e11dfef6fb138067df9803bb1cadee4 [0,0,0,1,0,0|3,0,0]=4 5480 B10R1.57 CCOCNC[C@@H]1CCO1 770bdfddc6a7c07d683aaf2109968631 [0,0,0,1,0,0|3,0,0]=4 5481 B10R1.57 CCOCNC[C@H]1CCO1 ac7e39bad7efa1264f30a88fa03a0a19 [0,0,0,1,0,0|3,0,0]=4 5482 B10R1.57 CCOCOCC1CCC1 13743f55b6e399e0724c3030b2f18a8a [0,0,0,1,0,0|1,0,0]=2 5483 B10R1.57 CCOCOCC1CCO1 50a4b2b21875c577e0ae02092c0e09b4 [0,0,0,1,0,0|2,0,0]=3 5484 B10R1.57 CCOCOCC1COC1 73ef3dbe10a99d2144f03c8c48f3ff44 [0,0,0,1,0,0|2,0,0]=3 5485 B10R1.57 CCOCOCC1CSC1 78be3f05ddfec5d762f58ec289b3fbe3 [0,0,0,1,0,0|2,0,0]=3 5486 B10R1.57 CCOCOC[C@@H]1CCO1 039ebe5f2e223a7c94c1e27b8e1aa7bc [0,0,0,1,0,0|2,0,0]=3 5487 B10R1.57 CCOCOC[C@H]1CCO1 71ac109ae07c3e8eeb0f09f23b3c5b2d [0,0,0,1,0,0|2,0,0]=3 5488 B10R1.57 CCSCCCN1CCC1 a93f9d9c81c667efa99bc4accf42a999 [0,0,0,1,0,0|3,0,0]=4 5489 B10R1.57 CCSCCNC1CCC1 2f2909f6484f553a471c8d0546641588 [0,0,0,1,0,0|2,0,0]=3 5490 B10R1.57 CCSCCNC1COC1 67d90b93f3e804ff982252803092bafb [0,0,0,1,0,0|3,0,0]=4 5491 B10R1.57 CCSCCOC1CCC1 6b91dccf96e5e0d599fb552e1f51fb34 [0,0,0,1,0,0|1,0,0]=2 5492 B10R1.57 CCSCCOC1COC1 ca9a1e28477ecfe301cc1f2819cc0483 [0,0,0,1,0,0|2,0,0]=3 5493 B10R1.57 CCSCCOC1CSC1 3a5f3fbafd6f71b11a01929309b34bb4 [0,0,0,1,0,0|2,0,0]=3 5494 B10R1.57 COCCCCN1CCC1 2f132689c37f86a5bc921c11971fdc4d [0,0,0,1,0,0|3,0,0]=4 5495 B10R1.57 COCCCNC1CCC1 a5b39b03ff44d2a47fb2a9ed6ea8333a [0,0,0,1,0,0|2,0,0]=3 5496 B10R1.57 COCCCNC1COC1 35f35cf504ab6495ae39ac2e3ec6ead5 [0,0,0,1,0,0|3,0,0]=4 5497 B10R1.57 COCCCOC1CCC1 806b2787e82e53dfffda28f417af3e10 [0,0,0,1,0,0|1,0,0]=2 5498 B10R1.57 COCCCOC1COC1 5a4b5942c3ec85b7ff2bbe3310d6dba4 [0,0,0,1,0,0|2,0,0]=3 5499 B10R1.57 COCCCOC1CSC1 ebe509fbb761758bdca7fbcf3bc9945f [0,0,0,1,0,0|2,0,0]=3 5500 B10R1.57 COCCNCC1CCC1 124c0974f7fc6cc9d46af6f9be49a8ba [0,0,0,1,0,0|2,0,0]=3 5501 B10R1.57 COCCNCC1CCO1 a87e76ce31e93fc70a73e207699a5e82 [0,0,0,1,0,0|3,0,0]=4 5502 B10R1.57 COCCNCC1COC1 f513383a1ac2c65d92e68e6b9151ae02 [0,0,0,1,0,0|3,0,0]=4 5503 B10R1.57 COCCNC[C@@H]1CCO1 49382c88f3d629c38b2b33d53bd43e5f [0,0,0,1,0,0|3,0,0]=4 5504 B10R1.57 COCCNC[C@H]1CCO1 5474ad7c6bce9cbd2659cde7041bf7d5 [0,0,0,1,0,0|3,0,0]=4 5505 B10R1.57 COCCOCC1CCC1 9fc8e6124d847c629dcc2164b1082957 [0,0,0,1,0,0|1,0,0]=2 5506 B10R1.57 COCCOCC1CCO1 432bd4842b54d71d0c276a59187e1390 [0,0,0,1,0,0|2,0,0]=3 5507 B10R1.57 COCCOCC1COC1 3a1466e8a6e2c1d3183403aa27dae2fe [0,0,0,1,0,0|2,0,0]=3 5508 B10R1.57 COCCOCC1CSC1 0a9c98252efefe919e640a141f111024 [0,0,0,1,0,0|2,0,0]=3 5509 B10R1.57 COCCOCN1CCC1 eb62f570b21c1fcaa03b07bc8e75e553 [0,0,0,1,0,0|2,0,0]=3 5510 B10R1.57 COCCOC[C@@H]1CCO1 746ef0521c33611fa93ac4ba4bc95d22 [0,0,0,1,0,0|2,0,0]=3 5511 B10R1.57 COCCOC[C@H]1CCO1 e14e9edbea914d0d5b7fdca807916971 [0,0,0,1,0,0|2,0,0]=3 5512 B10R1.57 COCNCCC1CCC1 0bae7ea325eaaf99dad5fdc49ade1725 [0,0,0,1,0,0|3,0,0]=4 5513 B10R1.57 COCOCCC1CCC1 faa8ca5e0fb0c324804d25faa761e087 [0,0,0,1,0,0|3,0,0]=4 5514 B10R1.57 CSCCCNC1CCC1 ba61e209bbc419500fb42bcf1b48d30e [0,0,0,1,0,0|2,0,0]=3 5515 B10R1.57 CSCCCNC1COC1 eb3ee3d5947080762c21ea6048e1a90b [0,0,0,1,0,0|3,0,0]=4 5516 B10R1.57 CSCCCOC1CCC1 81ffc53009d3cc08cdd7f0dde24686fa [0,0,0,1,0,0|1,0,0]=2 5517 B10R1.57 CSCCCOC1COC1 90ac8c712af2cc3afdd1474b4f4dc397 [0,0,0,1,0,0|2,0,0]=3 5518 B10R1.57 CSCCCOC1CSC1 858eeb858b8be29774714d70e6e4c768 [0,0,0,1,0,0|2,0,0]=3 5519 B10R1.57 CSCCNCC1CCC1 23c390a88c1bab51c58b0af30768afe9 [0,0,0,1,0,0|2,0,0]=3 5520 B10R1.57 CSCCNCC1CCO1 5cb62aa79055f5b1470c9d5c6fdc6212 [0,0,0,1,0,0|3,0,0]=4 5521 B10R1.57 CSCCNCC1COC1 9c90ccf4b329838f2d635d014e1d1c30 [0,0,0,1,0,0|3,0,0]=4 5522 B10R1.57 CSCCNC[C@@H]1CCO1 3797a669dd61d9754d149476c41769fa [0,0,0,1,0,0|3,0,0]=4 5523 B10R1.57 CSCCNC[C@H]1CCO1 6d782386115431d10b70e7d40d971169 [0,0,0,1,0,0|3,0,0]=4 5524 B10R1.57 CSCCOCC1CCC1 68e6761ca9a5e438026b951b005fd758 [0,0,0,1,0,0|1,0,0]=2 5525 B10R1.57 CSCCOCC1CCO1 623870554e8147f7f3009145958869fc [0,0,0,1,0,0|2,0,0]=3 5526 B10R1.57 CSCCOCC1COC1 b9e14412275dd212e0452ab48debdbf0 [0,0,0,1,0,0|2,0,0]=3 5527 B10R1.57 CSCCOCC1CSC1 c4339de770787c2e23c415409dc86413 [0,0,0,1,0,0|2,0,0]=3 5528 B10R1.57 CSCCOC[C@@H]1CCO1 bc774c35d938749b7c168406135d69a0 [0,0,0,1,0,0|2,0,0]=3 5529 B10R1.57 CSCCOC[C@H]1CCO1 e9225dd34bb84b22f508d753bc0373b7 [0,0,0,1,0,0|2,0,0]=3 5530 B10R1.57 CSCNCCC1CCC1 23520a75f132547dcf4c4e557d37b89d [0,0,0,1,0,0|3,0,0]=4 5531 B10R1.57 CSCOCCC1CCC1 bfb9da16dfd3858f6d5107d7fcbba8fd [0,0,0,1,0,0|3,0,0]=4 5532 B10R1.57 Cl/C=C/COCC1CCC1 8879b2b50d785073828c0dba92be619c [0,0,0,1,0,0|1,0,2]=4 5533 B10R1.57 Cl/C=C\COCC1CCC1 91c9f873115511f999afd8df8247d43a [0,0,0,1,0,0|1,0,2]=4 5534 B10R1.57 ClC=CCOCC1CCC1 d60ffdfca8ce89ba9247a48dbff93055 [0,0,0,1,0,0|1,0,2]=4 5535 B10R1.57 ClCCCCNC1CCC1 78d9eeb449e91fa42bfae62cfa45f9ed [0,0,0,1,0,0|2,0,0]=3 5536 B10R1.57 ClCCCCNC1COC1 5de8e5fff8080410e2093f4ac998bafd [0,0,0,1,0,0|3,0,0]=4 5537 B10R1.57 ClCCCNCC1CCC1 5ce32128e9f6603dd3c8d6e12df0f3bc [0,0,0,1,0,0|2,0,0]=3 5538 B10R1.57 ClCCCNCC1CCO1 d36210d73128065fd05ba285f2511c44 [0,0,0,1,0,0|3,0,0]=4 5539 B10R1.57 ClCCCNCC1COC1 5f11ae131dc4a57a44b71a5d015e5a4f [0,0,0,1,0,0|3,0,0]=4 5540 B10R1.57 ClCCCNC[C@@H]1CCO1 319de0796eb65f29d50a5f8e8a23a5cc [0,0,0,1,0,0|3,0,0]=4 5541 B10R1.57 ClCCCNC[C@H]1CCO1 ab821bf07ea1245eda7154e5088f76a9 [0,0,0,1,0,0|3,0,0]=4 5542 B10R1.57 FCCCCCN1CCC1 867841a18780ba85fa0b7698505bf861 [0,0,0,1,0,0|3,0,0]=4 5543 B10R1.57 FCCCCNC1CCC1 05887e6aff64ce7e47942714f8e97a64 [0,0,0,1,0,0|2,0,0]=3 5544 B10R1.57 FCCCCNC1COC1 78151a5ded22d572be550f03d931520b [0,0,0,1,0,0|3,0,0]=4 5545 B10R1.57 FCCCCOC1CCC1 8d7c286f815e73b4147ef90f56996442 [0,0,0,1,0,0|1,0,0]=2 5546 B10R1.57 FCCCCOC1COC1 6bc099267181c29baf10ce498d3e7b25 [0,0,0,1,0,0|2,0,0]=3 5547 B10R1.57 FCCCCOC1CSC1 55eb4b9f819deaa13d0f76041fecb9a5 [0,0,0,1,0,0|2,0,0]=3 5548 B10R1.57 FCCCNCC1CCC1 2998b6179b67389067ebe195399ef44d [0,0,0,1,0,0|2,0,0]=3 5549 B10R1.57 FCCCNCC1CCO1 9d397cb57d13026e826bad01ce71702a [0,0,0,1,0,0|3,0,0]=4 5550 B10R1.57 FCCCNCC1COC1 0e51c3d551c6fe665a61fd4ff8b7ca62 [0,0,0,1,0,0|3,0,0]=4 5551 B10R1.57 FCCCNC[C@@H]1CCO1 bae63bb1a92cb31bb13025a82ce6e493 [0,0,0,1,0,0|3,0,0]=4 5552 B10R1.57 FCCCNC[C@H]1CCO1 b252afd577edb4c2430fb6aa823b0bd3 [0,0,0,1,0,0|3,0,0]=4 5553 B10R1.57 FCCCOCC1CCC1 1b4877a31322ecb28657d4394368a27b [0,0,0,1,0,0|1,0,0]=2 5554 B10R1.57 FCCCOCC1CCO1 a11e6ae1880d5038fb683761eec26570 [0,0,0,1,0,0|2,0,0]=3 5555 B10R1.57 FCCCOCC1COC1 5f4aab8e54fcc5383d3be66b53ad0e79 [0,0,0,1,0,0|2,0,0]=3 5556 B10R1.57 FCCCOCC1CSC1 0c0020a06528952f65c76a3b4547c6e3 [0,0,0,1,0,0|2,0,0]=3 5557 B10R1.57 FCCCOC[C@@H]1CCO1 26b4d4f9083b58866dfcd3fcee01a59d [0,0,0,1,0,0|2,0,0]=3 5558 B10R1.57 FCCCOC[C@H]1CCO1 19056be917e868440838a14b2b53371e [0,0,0,1,0,0|2,0,0]=3 5559 B10R1.57 FCCNCCC1CCC1 453c2741e8d613543bc57ab65d68eea6 [0,0,0,1,0,0|3,0,0]=4 5560 B10R1.57 FCCOCCC1CCC1 1bdb069f84cb39cb903ce4a858d8eab2 [0,0,0,1,0,0|3,0,0]=4 5561 B10R1.57 FCOCCCC1CCC1 1ae769c0bff97f9c5c5a7746ad577cca [0,0,0,1,0,0|3,0,0]=4 5562 B10R1.57 FCOCCOC1CCC1 a8a874cdae8904b783cb8dbd5b0f433d [0,0,0,1,0,0|2,0,0]=3 5563 B10R1.57 IC#CCOCC1CCC1 a9619802c67fbd8246738e0c43721ad5 [0,0,0,1,0,0|1,0,2]=4 5564 B10R1.57 ICCNCCC1CCC1 1b869e2173cd22f3137cf05593fabdd6 [0,0,0,1,0,0|3,0,0]=4 5565 B10R1.57 N#CCCCNC1CCC1 49533b396199be5e8e7cfc04f3838993 [0,0,0,1,0,0|2,0,1]=4 5566 B10R1.57 N#CCCCOC1CCC1 7f5c7a4b81fd955542276c7ced9d7354 [0,0,0,1,0,0|1,0,1]=3 5567 B10R1.57 N#CCCCOC1COC1 19907179fce334e4c5d5dcdb503447c9 [0,0,0,1,0,0|2,0,1]=4 5568 B10R1.57 N#CCCCOC1CSC1 720c861b0c749ea4f36b0255652793d5 [0,0,0,1,0,0|2,0,1]=4 5569 B10R1.57 N#CCCNCC1CCC1 a311409ab1b5cca4718a84af08f0b5b3 [0,0,0,1,0,0|2,0,1]=4 5570 B10R1.57 N#CCCOCC1CCC1 6c4286286ec33e80dd08039635da51cd [0,0,0,1,0,0|1,0,1]=3 5571 B10R1.57 N#CCCOCC1CCO1 566a45fc06dbdbce100344746cdf7725 [0,0,0,1,0,0|2,0,1]=4 5572 B10R1.57 N#CCCOCC1COC1 0189ccd28485fe15a88a4fb4c583582d [0,0,0,1,0,0|2,0,1]=4 5573 B10R1.57 N#CCCOCC1CSC1 86261a63b545d645c29e0f05061213c4 [0,0,0,1,0,0|2,0,1]=4 5574 B10R1.57 N#CCCOC[C@@H]1CCO1 817730570c6e6aa39968ddd8af7c7d2c [0,0,0,1,0,0|2,0,1]=4 5575 B10R1.57 N#CCCOC[C@H]1CCO1 3c1822edd2c99a57efd29aa99a562545 [0,0,0,1,0,0|2,0,1]=4 5576 B10R1.57 N#CNCCOC1CCC1 f214fdaa92df111ca3fbe8838bbc56fe [0,0,0,1,0,0|2,0,1]=4 5577 B10R1.57 N#CSCOCC1CCC1 b85a3bc5763b68825261a01407685d46 [0,0,0,1,0,0|2,0,1]=4 5578 B10R1.57 NOCCNCC1CCC1 9f088c2c6167abbc10721bfb23104221 [0,0,0,1,0,0|3,0,0]=4 5579 B10R1.57 O=CCCCNC1CCC1 8c40be7bf22592808c74cbae674ae56c [0,0,0,1,0,0|2,0,1]=4 5580 B10R1.57 O=CCCCOC1CCC1 ef6a3a09e5bc93f748780b3e9ef6adb7 [0,0,0,1,0,0|1,0,1]=3 5581 B10R1.57 O=CCCCOC1COC1 f261933a4b161f73bd791390d9017209 [0,0,0,1,0,0|2,0,1]=4 5582 B10R1.57 O=CCCCOC1CSC1 db281cce5c85bc457512b8b02ae5b3a2 [0,0,0,1,0,0|2,0,1]=4 5583 B10R1.57 O=CCCNCC1CCC1 5f161ede974dbc9955c1d413516e2a68 [0,0,0,1,0,0|2,0,1]=4 5584 B10R1.57 O=CCCOCC1CCC1 ce41c812f15f51f72cc4189e18dac675 [0,0,0,1,0,0|1,0,1]=3 5585 B10R1.57 O=CCCOCC1CCO1 a7e687bb6032bac9428cb2a1fb2a1577 [0,0,0,1,0,0|2,0,1]=4 5586 B10R1.57 O=CCCOCC1COC1 0293d468fa95b5b57ee9705fc8847cc2 [0,0,0,1,0,0|2,0,1]=4 5587 B10R1.57 O=CCCOCC1CSC1 3a13e66486b50b90706a3c1422eccc55 [0,0,0,1,0,0|2,0,1]=4 5588 B10R1.57 O=CCCOC[C@@H]1CCO1 8779b271955c717d066b9a9c418ec94e [0,0,0,1,0,0|2,0,1]=4 5589 B10R1.57 O=CCCOC[C@H]1CCO1 a975e38996470ddcde128e7d281a8457 [0,0,0,1,0,0|2,0,1]=4 5590 B10R1.57 O=CNCCOC1CCC1 8a48f867cca2ae885da230292a5dd1b3 [0,0,0,1,0,0|2,0,1]=4 5591 B10R1.57 O=COCCOC1CCC1 c295c705e21474d466a2c694bc5e1a88 [0,0,0,1,0,0|2,0,1]=4 5592 B10R1.57 OCCCCCN1CCC1 a952e6d75f40f8a55fac1772555717be [0,0,0,1,0,0|3,0,0]=4 5593 B10R1.57 OCCCCNC1CCC1 94431c8a5744cbb50178dfcf5b1584e7 [0,0,0,1,0,0|2,0,0]=3 5594 B10R1.57 OCCCCNC1COC1 49ef421da0b25543520cf5674c6fe390 [0,0,0,1,0,0|3,0,0]=4 5595 B10R1.57 OCCCNCC1CCC1 c242f033e25f5761685b80645d635935 [0,0,0,1,0,0|2,0,0]=3 5596 B10R1.57 OCCCNCC1CCO1 9ebd1d950406dabc12f7d7080d7a207d [0,0,0,1,0,0|3,0,0]=4 5597 B10R1.57 OCCCNCC1COC1 6148dc84a28d0c4d202b30e3cee55d4c [0,0,0,1,0,0|3,0,0]=4 5598 B10R1.57 OCCCNC[C@@H]1CCO1 9fc4ba03197853b704dfb7dd65d8aa5d [0,0,0,1,0,0|3,0,0]=4 5599 B10R1.57 OCCCNC[C@H]1CCO1 e7e04b8c9ba811d3c4dded543ccfb65d [0,0,0,1,0,0|3,0,0]=4 5600 B10R1.57 OCCNCCC1CCC1 c2d3c1f98a412124e358ed4ee4c6e451 [0,0,0,1,0,0|3,0,0]=4 5601 B10R1.57 SCCCCNC1CCC1 7aea7e0522100414e5232bfd48274f78 [0,0,0,1,0,0|2,0,0]=3 5602 B10R1.57 SCCCCNC1COC1 9b4e021a86c885fbc3afa38ef2d8d464 [0,0,0,1,0,0|3,0,0]=4 5603 B10R1.57 SCCCCOC1CCC1 54cc8e4dafa4f2d212a4f82ab98e96e6 [0,0,0,1,0,0|1,0,0]=2 5604 B10R1.57 SCCCCOC1COC1 4872df8bc99786a2214b48ada38643b5 [0,0,0,1,0,0|2,0,0]=3 5605 B10R1.57 SCCCNCC1CCC1 69ab1b4fd999f43c8b6ef0259ea6366a [0,0,0,1,0,0|2,0,0]=3 5606 B10R1.57 SCCCNCC1CCO1 e2e567b95642d9b44e104123c9cfee75 [0,0,0,1,0,0|3,0,0]=4 5607 B10R1.57 SCCCNCC1COC1 7f1cc0bef143cad091291f20315a2688 [0,0,0,1,0,0|3,0,0]=4 5608 B10R1.57 SCCCNC[C@@H]1CCO1 8e0672bbbbc0c2ce8a31526a76ba1f17 [0,0,0,1,0,0|3,0,0]=4 5609 B10R1.57 SCCCNC[C@H]1CCO1 eec93953aeb3f1a9d9da442b842c6276 [0,0,0,1,0,0|3,0,0]=4 5610 B10R1.57 SCCCOCC1CCC1 a7c8fef36c39577cfad857bd3c5a850a [0,0,0,1,0,0|1,0,0]=2 5611 B10R1.57 SCCCOCC1CCO1 b031da56c1e8e2907c8acc36b5d04d5f [0,0,0,1,0,0|2,0,0]=3 5612 B10R1.57 SCCCOCC1COC1 5a7944e3f94aeb7a8fbf2698b5e0e069 [0,0,0,1,0,0|2,0,0]=3 5613 B10R1.57 SCCCOCC1CSC1 0af4b27a9e44a4424854043d0a123851 [0,0,0,1,0,0|2,0,0]=3 5614 B10R1.57 SCCCOC[C@@H]1CCO1 c0ce5fa70f16ac6b9335388d44ba0e60 [0,0,0,1,0,0|2,0,0]=3 5615 B10R1.57 SCCCOC[C@H]1CCO1 91de5805a73e4ece8487da2ea79f0d13 [0,0,0,1,0,0|2,0,0]=3 5616 B10R1.57 SCCNCCC1CCC1 639e80d0d6435847ad56a416e9ef616e [0,0,0,1,0,0|3,0,0]=4 5617 B10R1.57 SCCOCCC1CCC1 29eedd91650659d9078f4b5a4c695f47 [0,0,0,1,0,0|3,0,0]=4 5618 B10R1.60 CCCN[C@H]1C[C@@H]1COC 015695aecfb686628e6747a786340d44 [0,0,0,1,0,0|3,0,0]=4 5619 B10R1.60 CCCN[C@H]1C[C@H]1COC 221106ff118591ae227561f41a9b6cd5 [0,0,0,1,0,0|3,0,0]=4 5620 B10R1.85 CCCN1CCCCCC1 c31af73aa7bf6b9621d3ff0411574bf1 [0,0,0,1,0,0|2,0,0]=3 5621 B10R1.85 CCCN1CCCOCC1 78c59297ef2d3ccdbfba9d820686a79a [0,0,0,1,0,0|3,0,0]=4 5622 B10R1.85 CCNC1CCCCCC1 0c95c29b93e32e146162fd72980d84b0 [0,0,0,1,0,0|2,0,0]=3 5623 B10R1.85 CCNC1CCCOCC1 f7f3109a402ca4c4a83cfb0bb4504d7a [0,0,0,1,0,0|3,0,0]=4 5624 B10R1.85 CCOC1CCCCCC1 3ceaf49955c2e83c7e4ec278fd2e50f6 [0,0,0,1,0,0|2,0,0]=3 5625 B10R1.85 CCOC1CCCOCC1 eb88bd3389c520df3554ee47bbccb2fe [0,0,0,1,0,0|3,0,0]=4 5626 B10R1.85 CCOC1COCCOC1 3205a3a5e212b917d7141e01b43dd9d7 [0,0,0,1,0,0|2,0,0]=3 5627 B10R1.85 COCN1CCCCCC1 2e3246ec1fe2995859e72d5b109ca043 [0,0,0,1,0,0|3,0,0]=4 5628 B10R1.85 CSCN1CCCCCC1 916a8882dac8333862e72dbf9d407be2 [0,0,0,1,0,0|3,0,0]=4 5629 B10R1.85 FCCN1CCCCCC1 ca1d63374079ebc8aa89436a0b2526f3 [0,0,0,1,0,0|3,0,0]=4 5630 B10R1.85 FCNC1CCCCCC1 d9941b22490be54ccbbbbf89c73fad6a [0,0,0,1,0,0|3,0,0]=4 5631 B10R1.85 FCOC1CCCCCC1 5716769f937d10c4581f0ddcaefc884e [0,0,0,1,0,0|3,0,0]=4 5632 B10R1.85 FCOC1COCCOC1 9dec9caef71250527d4267ee299d6805 [0,0,0,1,0,0|3,0,0]=4 5633 B10R1.85 OCCN1CCCCCC1 67dd25a86d2d629982990ccbca281019 [0,0,0,1,0,0|3,0,0]=4 5634 B10R1.85 OCNC1CCCCCC1 94921a425b816c358f5fadb4a2c976db [0,0,0,1,0,0|3,0,0]=4 5635 B10R1.85 SCCN1CCCCCC1 e7631502090e1274dd15fb9cf8169942 [0,0,0,1,0,0|3,0,0]=4 5636 B10R1.129 CCCCNC1CC1C=O 8df4995b5604ccf6e7d24f8b2e4a5f6c [0,0,0,1,0,0|2,0,1]=4 5637 B10R1.129 CCCCN[C@@H]1C[C@@H]1OC 0b0a8f91e53549f4e14ab8e2ae97972a [0,0,0,1,0,0|2,0,0]=3 5638 B10R1.129 CCCCN[C@@H]1C[C@H]1CO 6dec8d8c976294296097decba9af509f [0,0,0,1,0,0|2,0,0]=3 5639 B10R1.129 CCCCN[C@H]1C[C@@H]1CO b37c5a59d30786540a21e684fec2a0bf [0,0,0,1,0,0|2,0,0]=3 5640 B10R1.129 CCCCN[C@H]1C[C@H]1CO 4caba055336c21b74991cf10d5dc62a1 [0,0,0,1,0,0|2,0,0]=3 5641 B10R1.129 CCCCOC1CC1C=O ba9386aa0e948ad420b4c73ee9de4c17 [0,0,0,1,0,0|1,0,1]=3 5642 B10R1.129 CCCNCC1CC1CO 9fea32b39d1b9c510cbfb3716d6e6009 [0,0,0,1,0,0|3,0,0]=4 5643 B10R1.129 CCOCN[C@@H]1C[C@@H]1OC 59e5712d0885076533368a9dc54be3a1 [0,0,0,1,0,0|3,0,0]=4 5644 B10R1.129 CCOCN[C@@H]1C[C@H]1CO 3cc2d20b5a13da9f0338d5feb36ec0de [0,0,0,1,0,0|3,0,0]=4 5645 B10R1.129 CCOCN[C@H]1C[C@@H]1CO 6121520cd803043e83b255531e78e64d [0,0,0,1,0,0|3,0,0]=4 5646 B10R1.129 CCOCN[C@H]1C[C@H]1CO f263e698131713f3d475e507f83ffa6d [0,0,0,1,0,0|3,0,0]=4 5647 B10R1.129 COCCN[C@@H]1C[C@@H]1OC 9bcab2b275b64297db707655a68cecc8 [0,0,0,1,0,0|3,0,0]=4 5648 B10R1.129 COCCN[C@@H]1C[C@H]1CO e4fab70ea55dca43bdd2e6da9b2bdbc6 [0,0,0,1,0,0|3,0,0]=4 5649 B10R1.129 COCCN[C@H]1C[C@@H]1CO cce5950bd6835525419c4cc6a1f86ce7 [0,0,0,1,0,0|3,0,0]=4 5650 B10R1.129 COCCN[C@H]1C[C@H]1CO 2156b5bf3c1abcb27ac496858ea2a878 [0,0,0,1,0,0|3,0,0]=4 5651 B10R1.129 COCCOC1CC1C=O 2ec3b5ad8eab8941fbeb2ecb4bf6ab9c [0,0,0,1,0,0|2,0,1]=4 5652 B10R1.129 CO[C@H]1C[C@H]1NCCCF c96f58e3b46f43c35397b8daad2ec31d [0,0,0,1,0,0|3,0,0]=4 5653 B10R1.129 CO[C@H]1C[C@H]1NCCCO bfdfde2261b70d6a7f8d12f35cbe2f3d [0,0,0,1,0,0|3,0,0]=4 5654 B10R1.129 CO[C@H]1C[C@H]1NCCCS a5f5c4eb9c6d1fcd95ce714264b55716 [0,0,0,1,0,0|3,0,0]=4 5655 B10R1.129 CO[C@H]1C[C@H]1NCCSC 4a8383a02be2fe41aa8ac340040dc9e9 [0,0,0,1,0,0|3,0,0]=4 5656 B10R1.129 CSCCN[C@@H]1C[C@H]1CO 98cc70a9d4fb447c0a2dc6bf6eb5477e [0,0,0,1,0,0|3,0,0]=4 5657 B10R1.129 CSCCN[C@H]1C[C@@H]1CO 7ee3e4ea974a65a5f8fc16314d56eb09 [0,0,0,1,0,0|3,0,0]=4 5658 B10R1.129 CSCCN[C@H]1C[C@H]1CO a4d312a211db218b3b52b440a4d288ed [0,0,0,1,0,0|3,0,0]=4 5659 B10R1.129 CSCCOC1CC1C=O 87d78ccd1154c256e12e2bdd48de06bc [0,0,0,1,0,0|2,0,1]=4 5660 B10R1.129 O=CC1CC1OCCCF 85d4812dec336b5468d33677c9aba413 [0,0,0,1,0,0|2,0,1]=4 5661 B10R1.129 O=CC1CC1OCCCS 564ff3583a5d258ba83234afb5846d4e [0,0,0,1,0,0|2,0,1]=4 5662 B10R1.129 OCCCN[C@@H]1C[C@H]1CO ee68e591301366d65c2f421deabc67bb [0,0,0,1,0,0|3,0,0]=4 5663 B10R1.129 OCCCN[C@H]1C[C@@H]1CO 9b1b87523b971fd0d30bb9dfe98f7154 [0,0,0,1,0,0|3,0,0]=4 5664 B10R1.129 OCCCN[C@H]1C[C@H]1CO 97d1bb270ec9a62a7dffb20fbe79e1d6 [0,0,0,1,0,0|3,0,0]=4 5665 B10R1.129 OC[C@@H]1C[C@@H]1NCCCF 46760b52389457e1118d6c4d24491936 [0,0,0,1,0,0|3,0,0]=4 5666 B10R1.129 OC[C@@H]1C[C@@H]1NCCCS ce24aab01e99df78faff6076842c5b4c [0,0,0,1,0,0|3,0,0]=4 5667 B10R1.129 OC[C@@H]1C[C@H]1NCCCF a497949925f6b09989eda6b18138ebea [0,0,0,1,0,0|3,0,0]=4 5668 B10R1.129 OC[C@@H]1C[C@H]1NCCCS 1975165ffcfa41651762572c590f6210 [0,0,0,1,0,0|3,0,0]=4 5669 B10R1.129 OC[C@H]1C[C@@H]1NCCCF 78739678d0cfe4e1fd4ff9a942e617a5 [0,0,0,1,0,0|3,0,0]=4 5670 B10R1.129 OC[C@H]1C[C@@H]1NCCCS 953fdbaa188509364e832e19373f64c5 [0,0,0,1,0,0|3,0,0]=4 5671 B10R1.132 CCCN1CCC1CCO 30a66f86064773ce5b2f0f9e34413241 [0,0,0,1,0,0|3,0,0]=4 5672 B10R1.132 CCCN1CCC1COC 61ddbf6b0d0ddb198557f2bedd827ce5 [0,0,0,1,0,0|3,0,0]=4 5673 B10R1.132 CCCN1CC[C@@H]1COC e172dae373eb3dfdd9268852fa7c1dc6 [0,0,0,1,0,0|3,0,0]=4 5674 B10R1.132 CCCN1CC[C@H]1COC d5c69bdf6ba18a3edb642c2b2f0e47b0 [0,0,0,1,0,0|3,0,0]=4 5675 B10R1.161 CCN1CCCCCCC1 9a3c6b1f428383498b1dfd51cd9c1561 [0,0,0,1,0,0|2,0,0]=3 5676 B10R1.161 FCN1CCCCCCC1 29ca6cd6997e2b92b884f994db9e492c [0,0,0,1,0,0|3,0,0]=4 5677 B10R1.161 OCN1CCCCCCC1 a32c214b4eafa08618f90426e5118773 [0,0,0,1,0,0|3,0,0]=4 5678 B10R1.177 C#CCCCNCC1CC1 324b31c21b7ded81efb09ba150e10049 [0,0,0,1,0,0|1,0,2]=4 5679 B10R1.177 C#CCCCOCC1CC1 8f28dc77c25600e1e4299125e80cfb7a [0,0,0,1,0,0|0,0,2]=3 5680 B10R1.177 C#CCCNCCC1CC1 93ea7da1c0feb20d65ce9d8934ba619f [0,0,0,1,0,0|1,0,2]=4 5681 B10R1.177 C#CCCOCCC1CC1 7cf4b2cab90e9efb5d2bd954279e516b [0,0,0,1,0,0|0,0,2]=3 5682 B10R1.177 C#CCCOCCN1CC1 900e18b794b97319c8de07d74e687ef9 [0,0,0,1,0,0|1,0,2]=4 5683 B10R1.177 C/C=C/CCOCC1CC1 ee405c73ca36732c289d7865ccdecc07 [0,0,0,1,0,0|0,0,2]=3 5684 B10R1.177 C/C=C/CNCCC1CC1 fd5bc64da39b54de482317183012233b [0,0,0,1,0,0|1,0,2]=4 5685 B10R1.177 C/C=C/COCCC1CC1 1c463a72373ca87446cf12a7c2e7f000 [0,0,0,1,0,0|0,0,2]=3 5686 B10R1.177 C/C=C/COCCN1CC1 9f48d6b969324d1844a53f96b4c8217e [0,0,0,1,0,0|1,0,2]=4 5687 B10R1.177 C/C=C\CNCCC1CC1 8bef9eb890e006fa225d5870e5bbe6f5 [0,0,0,1,0,0|1,0,2]=4 5688 B10R1.177 C/C=C\COCCC1CC1 355321943cd035bc4e5f1638b361605f [0,0,0,1,0,0|0,0,2]=3 5689 B10R1.177 C/C=C\COCCN1CC1 a823fadb0eb5e4eb5fc03c5221ef6586 [0,0,0,1,0,0|1,0,2]=4 5690 B10R1.177 C=C=CCCOCC1CC1 e5a4edfa8c6493439c5c094ba386bc08 [0,0,0,1,0,0|0,0,3]=4 5691 B10R1.177 C=CCCCNCC1CC1 a7f932e074c87eb9dc30475b6e3bd920 [0,0,0,1,0,0|1,0,2]=4 5692 B10R1.177 C=CCCCOCC1CC1 6e0ce9cb10b4d0e9ee0b9e9cb7b5b485 [0,0,0,1,0,0|0,0,2]=3 5693 B10R1.177 C=CCCNCCC1CC1 140db98f641ffaa93896379f57cc2315 [0,0,0,1,0,0|1,0,2]=4 5694 B10R1.177 C=CCCOCCC1CC1 dd75ca8e40f6388073ec4c433de0ee0a [0,0,0,1,0,0|0,0,2]=3 5695 B10R1.177 C=CCCOCCN1CC1 9bc46c78d2ee3a0eb080dbfbd4336663 [0,0,0,1,0,0|1,0,2]=4 5696 B10R1.177 C=COCCOCC1CC1 988692dc8ee30e6a051b8a2987301860 [0,0,0,1,0,0|1,0,2]=4 5697 B10R1.177 CC#CCCOCC1CC1 c1118c8b99296da66240a51cccf5ea76 [0,0,0,1,0,0|0,0,2]=3 5698 B10R1.177 CC#CCNCCC1CC1 b4fe4706a1250166ffba9d1e1d486501 [0,0,0,1,0,0|1,0,2]=4 5699 B10R1.177 CC#CCOCCC1CC1 a5c1f44807e0332361240a5abc0388d0 [0,0,0,1,0,0|0,0,2]=3 5700 B10R1.177 CC/C=C/CNCC1CC1 a1eba22eb299400dc234a6e0c5698761 [0,0,0,1,0,0|1,0,2]=4 5701 B10R1.177 CC/C=C/COCC1CC1 cbc941eb395a2bffb13c4de74ce0c164 [0,0,0,1,0,0|0,0,2]=3 5702 B10R1.177 CC/C=C\COCC1CC1 7df62dacc86b93eb6e7752b5695e6677 [0,0,0,1,0,0|0,0,2]=3 5703 B10R1.177 CC=CCNCCC1CC1 4c4662037465f0caee231a0de4e5fdcd [0,0,0,1,0,0|1,0,2]=4 5704 B10R1.177 CC=CCOCCC1CC1 055952618cd55fbf74cbe40e4256445f [0,0,0,1,0,0|0,0,2]=3 5705 B10R1.177 CCC#CCNCC1CC1 b36324da61fee753a6b2c3b9dcff6ea1 [0,0,0,1,0,0|1,0,2]=4 5706 B10R1.177 CCC#CCOCC1CC1 de3b3989ea7374ee71d051b66a12cd0c [0,0,0,1,0,0|0,0,2]=3 5707 B10R1.177 CCC/C=C/CNC1CC1 edb58d59572674cb67aefb973557902b [0,0,0,1,0,0|2,0,1]=4 5708 B10R1.177 CCC/C=C/COC1CC1 382f23974dd20a1518d1f00f5271a1ab [0,0,0,1,0,0|2,0,1]=4 5709 B10R1.177 CCC/C=C\CNC1CC1 c2380d1bc1589aa650cdc38b2c2b9d7a [0,0,0,1,0,0|2,0,1]=4 5710 B10R1.177 CCC/C=C\COC1CC1 1d9efd858c0dc4ab1aa7d3712bee0f52 [0,0,0,1,0,0|2,0,1]=4 5711 B10R1.177 CCCC#CCOC1CC1 0a3410dd21dc9bfcf37baca887972ba0 [0,0,0,1,0,0|2,0,1]=4 5712 B10R1.177 CCCCCCNC1CC1 15262c9b6550fe6d109c4c2cb7eeb757 [0,0,0,1,0,0|2,0,0]=3 5713 B10R1.177 CCCCCCOC1CC1 b55afc5464381312d620e6cbb95bdd86 [0,0,0,1,0,0|2,0,0]=3 5714 B10R1.177 CCCCCNCC1CC1 34d61cada598947f49b9ab85a2931c34 [0,0,0,1,0,0|1,0,0]=2 5715 B10R1.177 CCCCCOCC1CC1 29148006b57e8432404409499e87f3fd [0,0,0,1,0,0|0,0,0]=1 5716 B10R1.177 CCCCNCCC1CC1 158c02666a48abc7fe9ea46078bf1036 [0,0,0,1,0,0|1,0,0]=2 5717 B10R1.177 CCCCNCCN1CC1 adb61ba0b0490d8d0b06d2144d111cf7 [0,0,0,1,0,0|2,0,0]=3 5718 B10R1.177 CCCCOCCC1CC1 ec58c6ee84426d7d0244452963d49311 [0,0,0,1,0,0|0,0,0]=1 5719 B10R1.177 CCCCOCCN1CC1 093ed7f947f21cbf0dd40339577c9b40 [0,0,0,1,0,0|1,0,0]=2 5720 B10R1.177 CCCCOCNC1CC1 ec662359ae6cef349af3aec163fa6c48 [0,0,0,1,0,0|1,0,0]=2 5721 B10R1.177 CCCCOCOC1CC1 ceec6acd9a089fc281edfe61886983a1 [0,0,0,1,0,0|1,0,0]=2 5722 B10R1.177 CCCNCCOC1CC1 59b26a455797b634b7dab02d300c7e08 [0,0,0,1,0,0|3,0,0]=4 5723 B10R1.177 CCCOC/C=C/C1CC1 f1a04d2684a151cba0b084c72b434f40 [0,0,0,1,0,0|2,0,1]=4 5724 B10R1.177 CCCOCC#CC1CC1 7df2b9bd14308d3cc1807ae40a656551 [0,0,0,1,0,0|2,0,1]=4 5725 B10R1.177 CCCOCCCC1CC1 e0007007b99d583354fd403d2e374709 [0,0,0,1,0,0|2,0,0]=3 5726 B10R1.177 CCCOCCNC1CC1 cab635b0622596f86bf5c545847467ee [0,0,0,1,0,0|3,0,0]=4 5727 B10R1.177 CCCOCCOC1CC1 fc634e782e1550ceec5c7a5a852d22c1 [0,0,0,1,0,0|3,0,0]=4 5728 B10R1.177 CCCSCCOC1CC1 56f2f830e86c165dbda22d71a4d0618d [0,0,0,1,0,0|3,0,0]=4 5729 B10R1.177 CCNCCSCC1CC1 0a473b6fa13bbc6e3042c217379a568e [0,0,0,1,0,0|1,1,0]=3 5730 B10R1.177 CCOCCCNC1CC1 ce393f953d54e0965be864b43b413c2b [0,0,0,1,0,0|3,0,0]=4 5731 B10R1.177 CCOCCCOC1CC1 a181e9e72139dc13dbf0b00953d1b7ff [0,0,0,1,0,0|3,0,0]=4 5732 B10R1.177 CCOCCCSC1CC1 2e43d378e4edb3a2a500ce294b0e8a25 [0,0,0,1,0,0|3,0,0]=4 5733 B10R1.177 CCOCCNCC1CC1 d0a0463e91d7d8ff68cc211e00f248f5 [0,0,0,1,0,0|2,0,0]=3 5734 B10R1.177 CCOCCOCC1CC1 59f989e16597392918162b4f6cec0359 [0,0,0,1,0,0|1,0,0]=2 5735 B10R1.177 CCOCNCCC1CC1 756ea438fb96ec99b80081358820227c [0,0,0,1,0,0|2,0,0]=3 5736 B10R1.177 CCOCNCCN1CC1 23f095f3d02e0b8d56bf0baeb2a78a3a [0,0,0,1,0,0|3,0,0]=4 5737 B10R1.177 CCOCOCCC1CC1 65a53cb45bb91d38b082664ecccc2d23 [0,0,0,1,0,0|1,0,0]=2 5738 B10R1.177 CCOCOCCN1CC1 6622fa6a1b6395e85c3ed0bc007fb9b2 [0,0,0,1,0,0|2,0,0]=3 5739 B10R1.177 CCSCCCNC1CC1 93d8dd1cd9634688c523b41f0928360b [0,0,0,1,0,0|3,0,0]=4 5740 B10R1.177 CCSCCCOC1CC1 ecbb978545b97bb91da25995c00af722 [0,0,0,1,0,0|3,0,0]=4 5741 B10R1.177 CCSCCNCC1CC1 ff59844af5de24f28287849ecb08e82b [0,0,0,1,0,0|2,0,0]=3 5742 B10R1.177 CCSCCOCC1CC1 704c8bae2c68d35c7274426d40d11731 [0,0,0,1,0,0|1,0,0]=2 5743 B10R1.177 COCCCCNC1CC1 ab5d5c6f9cd9acb25812d30a1147396d [0,0,0,1,0,0|3,0,0]=4 5744 B10R1.177 COCCCCOC1CC1 efe38084a2b4f5d5b38942d88504cb71 [0,0,0,1,0,0|3,0,0]=4 5745 B10R1.177 COCCCNCC1CC1 7f98411359f8ceeec3dbd23616a5fc2a [0,0,0,1,0,0|2,0,0]=3 5746 B10R1.177 COCCCOCC1CC1 5aa4ee64de78b1942faeb030692508d8 [0,0,0,1,0,0|1,0,0]=2 5747 B10R1.177 COCCNCCC1CC1 53d5e9e3a02658d5cb4b174128ed937e [0,0,0,1,0,0|2,0,0]=3 5748 B10R1.177 COCCNCCN1CC1 3faf4e374ccd4d4e416590ec74690d61 [0,0,0,1,0,0|3,0,0]=4 5749 B10R1.177 COCCOCCC1CC1 ca1d81a50912319f0beabc602e6f3bdf [0,0,0,1,0,0|1,0,0]=2 5750 B10R1.177 COCCOCCN1CC1 95a7dc28921a625267cb2810c777aa40 [0,0,0,1,0,0|2,0,0]=3 5751 B10R1.177 COCCOCNC1CC1 62e0235eb6ec6906d31f0a1541191cdd [0,0,0,1,0,0|2,0,0]=3 5752 B10R1.177 COCCOCOC1CC1 9dc93dde25376b24c7951480f874dec1 [0,0,0,1,0,0|2,0,0]=3 5753 B10R1.177 COCOCCCC1CC1 d5e50b76edadd5f8ab48d44fa4dbd78f [0,0,0,1,0,0|3,0,0]=4 5754 B10R1.177 CSCCCCNC1CC1 47bf2ce774ad95966e064aff1dd225c3 [0,0,0,1,0,0|3,0,0]=4 5755 B10R1.177 CSCCCCOC1CC1 2ead97622c601b93107d897f3bddc620 [0,0,0,1,0,0|3,0,0]=4 5756 B10R1.177 CSCCCNCC1CC1 61b64f1b527fef4f43a3b7d9473ad7da [0,0,0,1,0,0|2,0,0]=3 5757 B10R1.177 CSCCCOCC1CC1 38a6e7e98a15124fbdbe34b751d7716b [0,0,0,1,0,0|1,0,0]=2 5758 B10R1.177 CSCCNCCC1CC1 770ea625c6193b3d49b2535bf705d3e2 [0,0,0,1,0,0|2,0,0]=3 5759 B10R1.177 CSCCNCCN1CC1 12df65fe643cfb2632ca26944edcd171 [0,0,0,1,0,0|3,0,0]=4 5760 B10R1.177 CSCCOCCC1CC1 ea069ac9238784ad28902bf4c2ec63e8 [0,0,0,1,0,0|1,0,0]=2 5761 B10R1.177 CSCCOCCN1CC1 d3ead1149646e0c5e82cf4e3d516a7d2 [0,0,0,1,0,0|2,0,0]=3 5762 B10R1.177 CSCOCCCC1CC1 0479104e519398cbacdc3961a9e85197 [0,0,0,1,0,0|3,0,0]=4 5763 B10R1.177 Cl/C=C/COCCC1CC1 9fc0b8ce9358bfc4772188336df72d14 [0,0,0,1,0,0|1,0,2]=4 5764 B10R1.177 Cl/C=C\COCCC1CC1 2e6fbf778f1217d15276b0fb7019774d [0,0,0,1,0,0|1,0,2]=4 5765 B10R1.177 ClC=CCOCCC1CC1 9cf143d6410a4e8aaff2c7fe23a4bcae [0,0,0,1,0,0|1,0,2]=4 5766 B10R1.177 ClCCCCCNC1CC1 f02b6f7412c26fd909f1d896506587f8 [0,0,0,1,0,0|3,0,0]=4 5767 B10R1.177 ClCCCCNCC1CC1 67539b5c37505ff6553bcbfc75829150 [0,0,0,1,0,0|2,0,0]=3 5768 B10R1.177 ClCCCNCCC1CC1 ae59da37de24086f090bc8affae40d90 [0,0,0,1,0,0|2,0,0]=3 5769 B10R1.177 FCCCCCNC1CC1 efd27193930ecc63325931f826fe416d [0,0,0,1,0,0|3,0,0]=4 5770 B10R1.177 FCCCCCOC1CC1 2ea529e7e1880128ad6f6508626c8df1 [0,0,0,1,0,0|3,0,0]=4 5771 B10R1.177 FCCCCNCC1CC1 1d9a9977842369e12be5ca1df55632d8 [0,0,0,1,0,0|2,0,0]=3 5772 B10R1.177 FCCCCOCC1CC1 6824e70c0edbe9df8e0a3538014d6877 [0,0,0,1,0,0|1,0,0]=2 5773 B10R1.177 FCCCNCCC1CC1 f01a61d6e9002594422d1d488985488e [0,0,0,1,0,0|2,0,0]=3 5774 B10R1.177 FCCCNCCN1CC1 7995c3a11c86563265a4262aa14360da [0,0,0,1,0,0|3,0,0]=4 5775 B10R1.177 FCCCOCCC1CC1 d5ec878639c24d78883dba584ee94035 [0,0,0,1,0,0|1,0,0]=2 5776 B10R1.177 FCCCOCCN1CC1 c8dc9d73fdbda5936fca20c77c8e59b6 [0,0,0,1,0,0|2,0,0]=3 5777 B10R1.177 FCCOCCCC1CC1 4db4d5c5e9e2f4e1a22e88987cd19cd7 [0,0,0,1,0,0|3,0,0]=4 5778 B10R1.177 FCNCCSCC1CC1 aa345d0c9c2ac5483de106f436d25db8 [0,0,0,1,0,0|2,1,0]=4 5779 B10R1.177 FCOCCOCC1CC1 3ca6572823467b1d0ef2f7caf2a469df [0,0,0,1,0,0|2,0,0]=3 5780 B10R1.177 IC#CCOCCC1CC1 875c833c52a8d557edec59be53cd80ab [0,0,0,1,0,0|1,0,2]=4 5781 B10R1.177 N#CCCCNCC1CC1 43899097ce21ccd7de4255363a7194cd [0,0,0,1,0,0|2,0,1]=4 5782 B10R1.177 N#CCCCOCC1CC1 470436a5ecff519644f80bb890fe6c8f [0,0,0,1,0,0|1,0,1]=3 5783 B10R1.177 N#CCCNCCC1CC1 b978fc515bb63f5878e5d82f329f194d [0,0,0,1,0,0|2,0,1]=4 5784 B10R1.177 N#CCCOCCC1CC1 cfda77c90cbb1ee0a2765d11a3928a3c [0,0,0,1,0,0|1,0,1]=3 5785 B10R1.177 N#CCCOCCN1CC1 8b0dd342afc5ff92fa2df3fa45093e3c [0,0,0,1,0,0|2,0,1]=4 5786 B10R1.177 N#CSCOCCC1CC1 fe35a49c0045fb1ac2181f63a5df1253 [0,0,0,1,0,0|2,0,1]=4 5787 B10R1.177 NOCCNCCC1CC1 403d854bd2639823c7a12959f51c8a89 [0,0,0,1,0,0|3,0,0]=4 5788 B10R1.177 O=CCCCNCC1CC1 b2380a80fc5b4ead8432d0f10d933ccf [0,0,0,1,0,0|2,0,1]=4 5789 B10R1.177 O=CCCCOCC1CC1 cb2b3caa375b496b6158359f8e743fe9 [0,0,0,1,0,0|1,0,1]=3 5790 B10R1.177 O=CCCNCCC1CC1 a0de110a57e3b1968e9ee51efdcfd115 [0,0,0,1,0,0|2,0,1]=4 5791 B10R1.177 O=CCCOCCC1CC1 36dc8642d1b7adba1b2590f3acf0ea3f [0,0,0,1,0,0|1,0,1]=3 5792 B10R1.177 O=CCCOCCN1CC1 b4f3a7c2ae9c4128d1305345a6c8e3fc [0,0,0,1,0,0|2,0,1]=4 5793 B10R1.177 O=CNCCOCC1CC1 d76d6fcb247a6ccbee5c2da14b2ad107 [0,0,0,1,0,0|2,0,1]=4 5794 B10R1.177 O=COCCOCC1CC1 e4c85e29f598c207e1ea14f3f3626bcb [0,0,0,1,0,0|2,0,1]=4 5795 B10R1.177 OCCCCCNC1CC1 82d72c365f3e8ff5fbaee22eb36fccb4 [0,0,0,1,0,0|3,0,0]=4 5796 B10R1.177 OCCCCNCC1CC1 679f30954c2e9e1f916d519a0af156c5 [0,0,0,1,0,0|2,0,0]=3 5797 B10R1.177 OCCCNCCC1CC1 90a4f286976eb3f94edc8a54c369519d [0,0,0,1,0,0|2,0,0]=3 5798 B10R1.177 OCCCNCCN1CC1 72b57d59d114f9155d00ea57091d0425 [0,0,0,1,0,0|3,0,0]=4 5799 B10R1.177 OCNCCSCC1CC1 a73d3fe4d6a384cf85d7fbf766c2892c [0,0,0,1,0,0|2,1,0]=4 5800 B10R1.177 SCCCCNCC1CC1 1577a42f42f70c6756dbd13a86cb8a12 [0,0,0,1,0,0|2,0,0]=3 5801 B10R1.177 SCCCCOCC1CC1 76f5cc22a50518b0037c53edf181dd22 [0,0,0,1,0,0|1,0,0]=2 5802 B10R1.177 SCCCNCCC1CC1 d0bb6035a691ccfef61f63a8a6568d8b [0,0,0,1,0,0|2,0,0]=3 5803 B10R1.177 SCCCNCCN1CC1 e46557cc2cb5fd36d9010f4e0aa93ac9 [0,0,0,1,0,0|3,0,0]=4 5804 B10R1.177 SCCCOCCC1CC1 602c8aa830392eec0f4b645f316ac81f [0,0,0,1,0,0|1,0,0]=2 5805 B10R1.177 SCCCOCCN1CC1 16be3e3654f7a8bafaaefc706baa0a5d [0,0,0,1,0,0|2,0,0]=3 5806 B10R1.177 SCCOCCCC1CC1 c84eed186a2e3ed430e0cca5a0eb568d [0,0,0,1,0,0|3,0,0]=4 5807 B7R0.1 C#CCCCOCC 89b5785422e0fe7d3bd84144232498f7 [2,0,0,0,0,0|0,0,2]=4 5808 B7R0.1 C#CCCOCCC eee2aa39c598bd16cdd3ed61f37ff696 [2,0,0,0,0,0|0,0,2]=4 5809 B7R0.1 C#CCOCCCC ed4cfee8b145d86b8dc8812185cb69d7 [2,0,0,0,0,0|0,0,2]=4 5810 B7R0.1 C/C=C/CCOCC 769d81e9b6b56a0d91c30248e5909b9a [2,0,0,0,0,0|0,0,2]=4 5811 B7R0.1 C/C=C/COCCC 822df1d3ee20841fb6f7a407dc8ef626 [2,0,0,0,0,0|0,0,2]=4 5812 B7R0.1 C/C=C\COCCC 38b7687ce05adf4c23571dca2fffb3f7 [2,0,0,0,0,0|0,0,2]=4 5813 B7R0.1 C=CCCCOCC 44cf1a7a597e160be341d31404acdfaa [2,0,0,0,0,0|0,0,2]=4 5814 B7R0.1 C=CCCOCCC b938a9e5fd3f24fa3adf9ccf635a9e5b [2,0,0,0,0,0|0,0,2]=4 5815 B7R0.1 C=CCOCCCC 01358a2b7449cb631c1f1da5323f5dd1 [2,0,0,0,0,0|0,0,2]=4 5816 B7R0.1 CC#CCCOCC 57277b2d6042ec0ef25dc33b854150f3 [2,0,0,0,0,0|0,0,2]=4 5817 B7R0.1 CC#CCOCCC 96b5db71ecc94b22411d45119de902db [2,0,0,0,0,0|0,0,2]=4 5818 B7R0.1 CC/C=C/COCC d420f3a465c03dc90c07c9e880250d83 [2,0,0,0,0,0|0,0,2]=4 5819 B7R0.1 CC/C=C\COCC bb199043dc18f58477d73da90b8039ab [2,0,0,0,0,0|0,0,2]=4 5820 B7R0.1 CC=CCOCCC 295cbe6ac3a62354900ac5e447c73dc1 [2,0,0,0,0,0|0,0,2]=4 5821 B7R0.1 CCC#CCOCC 2380cee045d437f419c16dee1b838b64 [2,0,0,0,0,0|0,0,2]=4 5822 B7R0.1 CCCCCNCC e4fc231c21797e6191f546ff9bcbf191 [2,0,0,0,0,0|1,0,0]=3 5823 B7R0.1 CCCCCNCF ac90ce28f099294c590373d3f9f6da79 [2,0,0,0,0,0|2,0,0]=4 5824 B7R0.1 CCCCCNCO ec5ba66caaffe66e13002eeb0f8fbef0 [2,0,0,0,0,0|2,0,0]=4 5825 B7R0.1 CCCCCOCC bc8c76b482c8637477570a20a92424f9 [2,0,0,0,0,0|0,0,0]=2 5826 B7R0.1 CCCCCOCF 12202160b083613b3fc9b1e5cca026a2 [2,0,0,0,0,0|1,0,0]=3 5827 B7R0.1 CCCCNCCBr 6994c0f761f70c79e3636f87821a4da7 [2,0,0,0,0,0|2,0,0]=4 5828 B7R0.1 CCCCNCCC a3b3a945f6f1baa84f39f99cc86c2768 [2,0,0,0,0,0|1,0,0]=3 5829 B7R0.1 CCCCNCCF a4a379fc89c7098446dbe8e70a8f3629 [2,0,0,0,0,0|2,0,0]=4 5830 B7R0.1 CCCCNCCI 9d533ae71c7c61157641b188cb16d262 [2,0,0,0,0,0|2,0,0]=4 5831 B7R0.1 CCCCNCCO 45e09e0eaf8e70243153c679742c268d [2,0,0,0,0,0|2,0,0]=4 5832 B7R0.1 CCCCNCCS e10b263df14eb689519a5b45c170340c [2,0,0,0,0,0|2,0,0]=4 5833 B7R0.1 CCCCNCOC fca288cb8dbe01759ae101c18bfa412c [2,0,0,0,0,0|2,0,0]=4 5834 B7R0.1 CCCCNCSC 10583efc20422e1524a2f4955b629777 [2,0,0,0,0,0|2,0,0]=4 5835 B7R0.1 CCCCOCC#N dc85f7fa683b49a24bf8a0a97aaed99b [2,0,0,0,0,0|1,0,1]=4 5836 B7R0.1 CCCCOCC=O 059f1387d1800516c5888740482db589 [2,0,0,0,0,0|1,0,1]=4 5837 B7R0.1 CCCCOCCC e85630c69ee3c8e8f032efaf949c778a [2,0,0,0,0,0|0,0,0]=2 5838 B7R0.1 CCCCOCCF 174e59bdf2395ea80ece65db27934915 [2,0,0,0,0,0|1,0,0]=3 5839 B7R0.1 CCCCOCCS 74c4cbde8803965399df836274456678 [2,0,0,0,0,0|1,0,0]=3 5840 B7R0.1 CCCCOCOC 9cbd5d2e1afa2f28354b07c6bb86bcff [2,0,0,0,0,0|1,0,0]=3 5841 B7R0.1 CCCCOCSC 6214365bdf8f1aabc77c5be5879f4319 [2,0,0,0,0,0|1,0,0]=3 5842 B7R0.1 CCCNCCCCl 05aad0ada33ce1df42fe1d1576685bfa [2,0,0,0,0,0|2,0,0]=4 5843 B7R0.1 CCCNCCCF 5d767cf9963f4f908c6ad9d2f041592c [2,0,0,0,0,0|2,0,0]=4 5844 B7R0.1 CCCNCCCO 600eb878efec79e60bf3b2a8b60d23ae [2,0,0,0,0,0|2,0,0]=4 5845 B7R0.1 CCCNCCCS fc06966689a479decefc05eb0a8ab32b [2,0,0,0,0,0|2,0,0]=4 5846 B7R0.1 CCCNCCOC f29ce84f8c4a36f99b7727e369f1b3a2 [2,0,0,0,0,0|2,0,0]=4 5847 B7R0.1 CCCNCCSC 3757aef87d98f69d6de97ecc900f7388 [2,0,0,0,0,0|2,0,0]=4 5848 B7R0.1 CCCNCOCC f89dea50a122fa5932f7231cba792011 [2,0,0,0,0,0|1,0,0]=3 5849 B7R0.1 CCCOCCC#N 91c533a2e6a7807a614f40e6691a9c4f [2,0,0,0,0,0|1,0,1]=4 5850 B7R0.1 CCCOCCC=O 066ce9d71bb9cb79ed95a965d8418289 [2,0,0,0,0,0|1,0,1]=4 5851 B7R0.1 CCCOCCCF 522fb4722b6639ce9c12cb71accf1c57 [2,0,0,0,0,0|1,0,0]=3 5852 B7R0.1 CCCOCCCS c6a4adfcc507637ade07069cbc203677 [2,0,0,0,0,0|1,0,0]=3 5853 B7R0.1 CCCOCCOC 587c6353ef70a105adefc48caf2dd9ab [2,0,0,0,0,0|1,0,0]=3 5854 B7R0.1 CCCOCCSC b3590bd253aafe46029a55cc708714f0 [2,0,0,0,0,0|1,0,0]=3 5855 B7R0.1 CCCOCOCC e1fcffafca5dab827c13d8468a4e4aff [2,0,0,0,0,0|1,0,0]=3 5856 B7R0.1 CCNCCCCCl 4d7dec7a70ffb7caf22f71709e83606c [2,0,0,0,0,0|2,0,0]=4 5857 B7R0.1 CCNCCCCO 8314b38fc58537828c26adc5093ed491 [2,0,0,0,0,0|2,0,0]=4 5858 B7R0.1 CCNCCCCS 4d91597b38f1a9587a1a3a986f181250 [2,0,0,0,0,0|2,0,0]=4 5859 B7R0.1 CCNCCCOC 38e4872da65a7f4c607195bb3a42a7d3 [2,0,0,0,0,0|2,0,0]=4 5860 B7R0.1 CCNCCCSC aa8dfcab5e82af1c5df7e93c6119936d [2,0,0,0,0,0|2,0,0]=4 5861 B7R0.1 CCNCCOCC e33ba910d026a1283fba761527911515 [2,0,0,0,0,0|1,0,0]=3 5862 B7R0.1 CCNCCSCC edb2f0059a33d413061b7eb66b7302b3 [2,0,0,0,0,0|1,1,0]=4 5863 B7R0.1 CCOCCCC#N 948f97b854455bf5a7dc5b58c1f47f3e [2,0,0,0,0,0|1,0,1]=4 5864 B7R0.1 CCOCCCC=O 8252684f63a0fadbbbc733c07d72d862 [2,0,0,0,0,0|1,0,1]=4 5865 B7R0.1 CCOCCCCF a309ddf8ba0f9055832bde37214b59d2 [2,0,0,0,0,0|1,0,0]=3 5866 B7R0.1 CCOCCCCS 29d95ab249579051b9ba4b50c383360a [2,0,0,0,0,0|1,0,0]=3 5867 B7R0.1 CCOCCCOC a7162a0b2ffcde779cbd4b369203415c [2,0,0,0,0,0|1,0,0]=3 5868 B7R0.1 CCOCCCSC be404ed3e31ed74d0583a7b0fdd85c14 [2,0,0,0,0,0|1,0,0]=3 5869 B7R0.1 CCOCCNCF 192b9172bb386f67e6f22749157a2b40 [2,0,0,0,0,0|2,0,0]=4 5870 B7R0.1 CCOCCNCO e2eefbd861380598dec880b760814d85 [2,0,0,0,0,0|2,0,0]=4 5871 B7R0.1 CCOCCOCC 0e67836f7951e4d542cdaecda70d9cec [2,0,0,0,0,0|1,0,0]=3 5872 B7R0.1 CCOCCOCF 480e61a3f34351f7f6b3989331094335 [2,0,0,0,0,0|2,0,0]=4 5873 B7R0.1 CCOCCSCC 15148439503b47dc3011533709c6631e [2,0,0,0,0,0|1,0,0]=3 5874 B7R0.1 CCOCNCCBr 1827db2361912a3e925649aba42666a5 [2,0,0,0,0,0|2,0,0]=4 5875 B7R0.1 CCOCNCCF b62ef1c74f3a371f515bff0f94e4a986 [2,0,0,0,0,0|2,0,0]=4 5876 B7R0.1 CCOCNCCI dfc16f7c8e4cd71609ed0df3faf045e6 [2,0,0,0,0,0|2,0,0]=4 5877 B7R0.1 CCOCNCCO f221c34d35f484f7601137254b505360 [2,0,0,0,0,0|2,0,0]=4 5878 B7R0.1 CCOCNCCS 61cac2ef7667a598f9431aaf8578ce69 [2,0,0,0,0,0|2,0,0]=4 5879 B7R0.1 CCOCOCCS f026d3a8c3aa4a6570f751e16a6f3578 [2,0,0,0,0,0|2,0,0]=4 5880 B7R0.1 CCOCOCOC 886e60a6bdd12e955350fa9fc5f12763 [2,0,0,0,0,0|2,0,0]=4 5881 B7R0.1 CCSCCOCF 1f42e8881d9b6b5eaf1c6a145775650a [2,0,0,0,0,0|2,0,0]=4 5882 B7R0.1 COCCCOCF 383f82bc810c552636ded41a86a82688 [2,0,0,0,0,0|2,0,0]=4 5883 B7R0.1 COCCOCCF d9d67c9b64f4650916e8f6b281251603 [2,0,0,0,0,0|2,0,0]=4 5884 B7R0.1 COCCOCCS 8f2426725fd10f0093a25980f3885bf6 [2,0,0,0,0,0|2,0,0]=4 5885 B7R0.1 COCCOCOC 3ee644b2e59bd74fbd558211d7299c19 [2,0,0,0,0,0|2,0,0]=4 5886 B7R0.1 COCCOCSC 5c26bae9265ce5a87c900f7aa15dfe78 [2,0,0,0,0,0|2,0,0]=4 5887 B7R0.1 COCOCCCF ea9ab696bc11b376553e55283bba40b0 [2,0,0,0,0,0|2,0,0]=4 5888 B7R0.1 COCOCCCS c9a5ae4ccf577982766fcc6a9836964f [2,0,0,0,0,0|2,0,0]=4 5889 B7R0.1 COCOCCSC 0ec0a0ffe6fa6c0de12bdad5b2c783a1 [2,0,0,0,0,0|2,0,0]=4 5890 B7R0.1 CSCCCOCF cac4a2023f18fecfef532a4dd1cfe7d1 [2,0,0,0,0,0|2,0,0]=4 5891 B7R0.1 CSCCOCCF 6604e59cd9a52c5fe3d0c09fe9af7e44 [2,0,0,0,0,0|2,0,0]=4 5892 B7R0.1 CSCCOCCS 88341594722383d10f6ed6cbf42a47db [2,0,0,0,0,0|2,0,0]=4 5893 B7R0.1 CSCCOCSC 9519eec518244bf1271e0902542b4628 [2,0,0,0,0,0|2,0,0]=4 5894 B7R0.1 CSCOCCCF 60ff695173cadbfa45054bdc1853270f [2,0,0,0,0,0|2,0,0]=4 5895 B7R0.1 CSCOCCCS 4435e9a90a047badb2b6d713e0445552 [2,0,0,0,0,0|2,0,0]=4 5896 B7R0.1 FCCCCOCF aa349be2c27536d4cce8f169856f8ad3 [2,0,0,0,0,0|2,0,0]=4 5897 B7R0.1 FCCCOCCF fca0942a564795f2da96aa3bdfc98a19 [2,0,0,0,0,0|2,0,0]=4 5898 B7R0.1 FCCCOCCS 81bc46547292bbd00e5f82ac34ad84ba [2,0,0,0,0,0|2,0,0]=4 5899 B7R0.1 FCCOCCCS c8ba8fe92c3ea035b23c022cec48d645 [2,0,0,0,0,0|2,0,0]=4 5900 B7R0.1 FCOCCCCS 2a152d1f18d97aad9e2418d39187145d [2,0,0,0,0,0|2,0,0]=4 5901 B7R0.1 SCCCOCCS 51e8e4f1171e572a4260dbc376b0f4f6 [2,0,0,0,0,0|2,0,0]=4 5902 B9R0.2 C#CCCCOCC(C)C 26dcc55f402a4a441cca08e0dd9298c3 [1,1,0,0,0,0|0,0,2]=4 5903 B9R0.2 C#CCCCOCC(C)F a8a0a9de696b681b56a2457524ff2b0b [1,1,0,0,0,0|0,0,2]=4 5904 B9R0.2 C#CCCCOCC(C)S f35bba1e637a93e6447308b0848ab172 [1,1,0,0,0,0|0,0,2]=4 5905 B9R0.2 C#CCCCOC[C@@H](C)F 844720b66735c0ad3c0ebb4721b77d01 [1,1,0,0,0,0|0,0,2]=4 5906 B9R0.2 C#CCCCOC[C@H](C)F 54f3472d90c2aa6c02f8def158b9b448 [1,1,0,0,0,0|0,0,2]=4 5907 B9R0.2 C#CCCOCCC(C)C f9f2b45824a5d8c42bb6eded3900c820 [1,1,0,0,0,0|0,0,2]=4 5908 B9R0.2 C#CCOCCCC(C)C 2815610c8f76c4294306b48ead8a4bf3 [1,1,0,0,0,0|0,0,2]=4 5909 B9R0.2 C/C=C/CCOCC(C)C c5f8b119ea4d624eb9d257ad00c1f77f [1,1,0,0,0,0|0,0,2]=4 5910 B9R0.2 C/C=C/COCCC(C)C d70bf3413b611544a4afaa244a184a93 [1,1,0,0,0,0|0,0,2]=4 5911 B9R0.2 C/C=C\COCCC(C)C 009e3b7c7e2987e5c250113058fc0d2b [1,1,0,0,0,0|0,0,2]=4 5912 B9R0.2 C=C(Br)CCOCCCC 89aeee49c614e8b481f89262dbe440df [1,1,0,0,0,0|0,0,2]=4 5913 B9R0.2 C=C(Br)COCCCCC d3362ef2dbe291c29da898c0e2060a14 [1,1,0,0,0,0|0,0,2]=4 5914 B9R0.2 C=C(C)CCCNCCC c3cac283cbd12fbf0ac91ae77d2206d5 [1,1,0,0,0,0|1,0,1]=4 5915 B9R0.2 C=C(C)CCCOCCC 4f69b68cc6888e5abf6b0488c9a109cb [1,1,0,0,0,0|0,0,1]=3 5916 B9R0.2 C=C(C)CCCOCCF 76308bdaa6e0eb46160468a356d7a021 [1,1,0,0,0,0|1,0,1]=4 5917 B9R0.2 C=C(C)CCCOCCS a710447b0c92193b6683bcf667e183ab [1,1,0,0,0,0|1,0,1]=4 5918 B9R0.2 C=C(C)CCCOCOC 53d906b0b2c23661dc9c041465ee2d83 [1,1,0,0,0,0|1,0,1]=4 5919 B9R0.2 C=C(C)CCCOCSC 9ff01b72a38ffef747abe164c40eb460 [1,1,0,0,0,0|1,0,1]=4 5920 B9R0.2 C=C(C)CCNCCCC 09dea3d5646408c299eb2754a1e1c1cd [1,1,0,0,0,0|1,0,1]=4 5921 B9R0.2 C=C(C)CCOCCCC 43e61bb8669727040bdbd33fc265d7ab [1,1,0,0,0,0|0,0,1]=3 5922 B9R0.2 C=C(C)CCOCCCF 4f05183773f76ad70187bfb2b5db2add [1,1,0,0,0,0|1,0,1]=4 5923 B9R0.2 C=C(C)CCOCCCS 54edad4905aa6a90dd74a875f3b8580c [1,1,0,0,0,0|1,0,1]=4 5924 B9R0.2 C=C(C)CCOCCOC 67bd7d77bcb9250ea71c8a04c5abf232 [1,1,0,0,0,0|1,0,1]=4 5925 B9R0.2 C=C(C)CCOCCSC 2419d01dab7f58e2ba353b19229cf906 [1,1,0,0,0,0|1,0,1]=4 5926 B9R0.2 C=C(C)CCOCOCC 8f670049fe2e01cc3448c7e08491639e [1,1,0,0,0,0|1,0,1]=4 5927 B9R0.2 C=C(C)CNCCCCC 1fe982b20ee6c93d1b92220bddb7f573 [1,1,0,0,0,0|1,0,1]=4 5928 B9R0.2 C=C(C)COCCCCC a29929c8df945f31fba1ca688247acb0 [1,1,0,0,0,0|0,0,1]=3 5929 B9R0.2 C=C(C)COCCCCF cf601ba6ef881d7ca1cf3f8cbe7608cb [1,1,0,0,0,0|1,0,1]=4 5930 B9R0.2 C=C(C)COCCCCS 8620ff2b2c37e1b6d86f0c7727ba02cb [1,1,0,0,0,0|1,0,1]=4 5931 B9R0.2 C=C(C)COCCCOC 2997bb7f8cda230019814f31b39c3495 [1,1,0,0,0,0|1,0,1]=4 5932 B9R0.2 C=C(C)COCCCSC b8eaf779a617118d20a8c289148d24b7 [1,1,0,0,0,0|1,0,1]=4 5933 B9R0.2 C=C(C)COCCOCC 49014f9a0948543aa38cd68db94b7916 [1,1,0,0,0,0|1,0,1]=4 5934 B9R0.2 C=C(C)COCCSCC a78c536cb05957de27781c26ce16a376 [1,1,0,0,0,0|1,0,1]=4 5935 B9R0.2 C=C(Cl)COCCCCC 57ce6103051dc6a3f88df4c556cae1cb [1,1,0,0,0,0|0,0,2]=4 5936 B9R0.2 C=C(F)COCCCCC 0f55d43253501cd8e5c46108728cd273 [1,1,0,0,0,0|0,0,2]=4 5937 B9R0.2 C=C(I)COCCCCC c852b2428fca73d35ed637c77ee2c36e [1,1,0,0,0,0|0,0,2]=4 5938 B9R0.2 C=CCCCOCC(C)C 65d5a16810333c61b1decb3cdf4c633e [1,1,0,0,0,0|0,0,2]=4 5939 B9R0.2 C=CCCCOCC(C)F ebd6c46dc6feb1a9b0cd67651d6381bb [1,1,0,0,0,0|0,0,2]=4 5940 B9R0.2 C=CCCCOCC(C)S e1b8c86c5c63d2741e4da26ed9f7909e [1,1,0,0,0,0|0,0,2]=4 5941 B9R0.2 C=CCCCOC[C@@H](C)F 9809ea5df8507870959787a7efe1be52 [1,1,0,0,0,0|0,0,2]=4 5942 B9R0.2 C=CCCCOC[C@H](C)F a96e0b56fe6ecfed1be90097d9bc1b6d [1,1,0,0,0,0|0,0,2]=4 5943 B9R0.2 C=CCCOCCC(C)C 792c9a1755bacca74235abb3c322c011 [1,1,0,0,0,0|0,0,2]=4 5944 B9R0.2 C=CCOCCCC(C)C ce1ea84c12026359cf2725f08aa7a070 [1,1,0,0,0,0|0,0,2]=4 5945 B9R0.2 CC#CCCOCC(C)C 7e2f72c20f055fd9193c1eb66cf086ad [1,1,0,0,0,0|0,0,2]=4 5946 B9R0.2 CC#CCOCCC(C)C cdff65922272a9cba01c90af8f2dd55f [1,1,0,0,0,0|0,0,2]=4 5947 B9R0.2 CC(=O)CCCOCCF 8be6dab59aed4b188d6918cf109dee02 [1,1,0,0,0,0|1,0,1]=4 5948 B9R0.2 CC(=O)CCCOCCS 3982bfab81dc2189a86b86f7de9c7da1 [1,1,0,0,0,0|1,0,1]=4 5949 B9R0.2 CC(=O)CCOCCCF a3645cce14ff471e4950eb3d53ebfd63 [1,1,0,0,0,0|1,0,1]=4 5950 B9R0.2 CC(=O)CCOCCCS 810c89f99c573084959f96ce51de3f91 [1,1,0,0,0,0|1,0,1]=4 5951 B9R0.2 CC(=O)COCCCCF 3914679278dfa87c5ec7633c52c8c323 [1,1,0,0,0,0|1,0,1]=4 5952 B9R0.2 CC(C)CCCCOCF f3b722f8d58182c1fd9af9438362dbc9 [1,1,0,0,0,0|2,0,0]=4 5953 B9R0.2 CC(C)CCCNCCBr b7d6416d41a8d8b043114eb9d25fd084 [1,1,0,0,0,0|2,0,0]=4 5954 B9R0.2 CC(C)CCCNCCF cae69e3d43f52e964c9ca30c89572657 [1,1,0,0,0,0|2,0,0]=4 5955 B9R0.2 CC(C)CCCNCCI 90c8ce226d0260d0967afa2e501e2135 [1,1,0,0,0,0|2,0,0]=4 5956 B9R0.2 CC(C)CCCNCCO 792143707f2bda6c4365b4fdbb4b413c [1,1,0,0,0,0|2,0,0]=4 5957 B9R0.2 CC(C)CCCNCCS 1447d71bb66626d0b32a83f48256250f [1,1,0,0,0,0|2,0,0]=4 5958 B9R0.2 CC(C)CCCOCC#N 06fd618c8b5ab386cf0bc20f93792d42 [1,1,0,0,0,0|1,0,1]=4 5959 B9R0.2 CC(C)CCCOCC=O bdd24f9b5eb3e927a3ba2032fbfb17f1 [1,1,0,0,0,0|1,0,1]=4 5960 B9R0.2 CC(C)CCCOCCF 28b58f2b3681d1d6fee121e2a302200f [1,1,0,0,0,0|1,0,0]=3 5961 B9R0.2 CC(C)CCCOCCS b10e3a2d8503d5801319565b78445a81 [1,1,0,0,0,0|1,0,0]=3 5962 B9R0.2 CC(C)CCNCCCCl 6b9795fdcd9da3d8230813c028ca1ec2 [1,1,0,0,0,0|2,0,0]=4 5963 B9R0.2 CC(C)CCNCCCF 854a9911ee43659052fd5caa66875a1b [1,1,0,0,0,0|2,0,0]=4 5964 B9R0.2 CC(C)CCNCCCO eca7ad0d2c54b51c5aaeb877cb5ad346 [1,1,0,0,0,0|2,0,0]=4 5965 B9R0.2 CC(C)CCNCCCS d0e9b2be9c31cc9392ea5d1d479cedc9 [1,1,0,0,0,0|2,0,0]=4 5966 B9R0.2 CC(C)CCOCCC#N cba9363079b4448bc2de1026c400eed1 [1,1,0,0,0,0|1,0,1]=4 5967 B9R0.2 CC(C)CCOCCC=O 35e5fe09d7f172e01a3fc9fb57f41a74 [1,1,0,0,0,0|1,0,1]=4 5968 B9R0.2 CC(C)CCOCCCF a4554d12916afd4836094e430ac63586 [1,1,0,0,0,0|1,0,0]=3 5969 B9R0.2 CC(C)CCOCCCS 35237afc9f97d012e4f412033cf35c90 [1,1,0,0,0,0|1,0,0]=3 5970 B9R0.2 CC(C)CNCCCCCl 49fd4c9a71162fd6b2f70088d0181735 [1,1,0,0,0,0|2,0,0]=4 5971 B9R0.2 CC(C)CNCCCCF e7f9801ea8cad354b21faeda1d8bea21 [1,1,0,0,0,0|2,0,0]=4 5972 B9R0.2 CC(C)CNCCCCO 7cb286cfe0c029d2c875a40ca4fb0b64 [1,1,0,0,0,0|2,0,0]=4 5973 B9R0.2 CC(C)CNCCCCS 978ebd80591bd184a3aacb24e93c8325 [1,1,0,0,0,0|2,0,0]=4 5974 B9R0.2 CC(C)COCCCC#N fda07a0b2ce0eb63e044b2c76009e434 [1,1,0,0,0,0|1,0,1]=4 5975 B9R0.2 CC(C)COCCCC=O 9c821c872d407f7f9bdf7808cd327ff2 [1,1,0,0,0,0|1,0,1]=4 5976 B9R0.2 CC(C)COCCCCF 0ed604d83fff1859e13ea9542d6149c8 [1,1,0,0,0,0|1,0,0]=3 5977 B9R0.2 CC(C)COCCCCS b91b5ae0f889fae70c66f0e116827c8d [1,1,0,0,0,0|1,0,0]=3 5978 B9R0.2 CC(C)COCCOCF 2cd9c8a00d6000aa2e69301d067eddc6 [1,1,0,0,0,0|2,0,0]=4 5979 B9R0.2 CC(C)NCCCCCCl bee779e3cc64d70579426dc97c87cffd [1,1,0,0,0,0|2,0,0]=4 5980 B9R0.2 CC(C)NCCCCCO 1f208d8ec5575ad2e5d4dc53dbb64198 [1,1,0,0,0,0|2,0,0]=4 5981 B9R0.2 CC(C)NCCOCCO 7203a2feaa211528a82b00fe31622805 [1,1,0,0,0,0|2,0,0]=4 5982 B9R0.2 CC(C)NCCOCCS 6704cc2a769963f0ca263a573cc03772 [1,1,0,0,0,0|2,0,0]=4 5983 B9R0.2 CC(C)OCCCCCF de570b03f4663d12bf011a0cae3168fb [1,1,0,0,0,0|2,0,0]=4 5984 B9R0.2 CC(C)OCCOCCF 9d1771bf866bef1f4c53332bcc9d454c [1,1,0,0,0,0|2,0,0]=4 5985 B9R0.2 CC(C)OCCOCCS 5ae63862a7e6f4e71f20906cb9d43c01 [1,1,0,0,0,0|2,0,0]=4 5986 B9R0.2 CC(C)OCOCCCF 0090d7df25ce61777757ca891b9c1b0a [1,1,0,0,0,0|2,0,0]=4 5987 B9R0.2 CC(C)OCOCCCS cbb8b07b7bc0acb7668239370aceae5f [1,1,0,0,0,0|2,0,0]=4 5988 B9R0.2 CC(C)SCCOCCF f12ec40a8b62fb8ca95674cc45056fc5 [1,1,0,0,0,0|2,0,0]=4 5989 B9R0.2 CC(C)SCCOCCS e03e9e3612c25caa79e518c8ea8e142f [1,1,0,0,0,0|2,0,0]=4 5990 B9R0.2 CC(F)COCCCC#N a577bff15262b78c5571ffe3bd37ee41 [1,1,0,0,0,0|1,0,1]=4 5991 B9R0.2 CC(F)COCCCC=O 45096cdcd588570c1ee49532928d3413 [1,1,0,0,0,0|1,0,1]=4 5992 B9R0.2 CC(F)COCCCCF 68691b98914085f897da4c603cce3788 [1,1,0,0,0,0|1,0,0]=3 5993 B9R0.2 CC(O)CCCNCCBr 846a80d7bd351c20925246d05170fa0a [1,1,0,0,0,0|2,0,0]=4 5994 B9R0.2 CC(O)CCCNCCF c8e3887a2439ccb3592fe170015fe6da [1,1,0,0,0,0|2,0,0]=4 5995 B9R0.2 CC(O)CCCNCCI d049963d4683c730c11fc2ac87702d47 [1,1,0,0,0,0|2,0,0]=4 5996 B9R0.2 CC(O)CCCNCCO 0303877d92750e8a64756316fc4bb9e6 [1,1,0,0,0,0|2,0,0]=4 5997 B9R0.2 CC(O)CCCNCCS c6438b2d80c9f6ff85d85ecf0e281737 [1,1,0,0,0,0|2,0,0]=4 5998 B9R0.2 CC(O)CCNCCCCl 0a32bed6279f094ef9401ca250c5ffa2 [1,1,0,0,0,0|2,0,0]=4 5999 B9R0.2 CC(O)CCNCCCF 9569faec1da967f7c66c5e0a60d104de [1,1,0,0,0,0|2,0,0]=4 6000 B9R0.2 CC(O)CCNCCCO 87acb0957134460d35e20a94643a56a5 [1,1,0,0,0,0|2,0,0]=4 6001 B9R0.2 CC(O)CCNCCCS c89ad0b413e9833571309ce26aa67448 [1,1,0,0,0,0|2,0,0]=4 6002 B9R0.2 CC(O)CNCCCCCl 65186c06faac50c9aeb9e91831d3a163 [1,1,0,0,0,0|2,0,0]=4 6003 B9R0.2 CC(O)CNCCCCF b87c1fb327b802173c8612462c330132 [1,1,0,0,0,0|2,0,0]=4 6004 B9R0.2 CC(O)CNCCCCO ce2dc7373bb7b816c2a9a5d12a2b9a76 [1,1,0,0,0,0|2,0,0]=4 6005 B9R0.2 CC(O)CNCCCCS 730d016fdad462f5c9daec1e7d2aec50 [1,1,0,0,0,0|2,0,0]=4 6006 B9R0.2 CC(S)COCCCC#N 82e0b51bbd8d6067959aa1f073a1c9c4 [1,1,0,0,0,0|1,0,1]=4 6007 B9R0.2 CC(S)COCCCC=O 2376ada453809bf361ec74ea138f968f [1,1,0,0,0,0|1,0,1]=4 6008 B9R0.2 CC(S)COCCCCF a79b3a7e2e3a1b77a14a54e74221c7c0 [1,1,0,0,0,0|1,0,0]=3 6009 B9R0.2 CC/C=C/COCC(C)C c9460f35b70c31b83a5819b1169bb38b [1,1,0,0,0,0|0,0,2]=4 6010 B9R0.2 CC/C=C/COCC(C)F 2ad96937e40a6336180e444212541c7d [1,1,0,0,0,0|0,0,2]=4 6011 B9R0.2 CC/C=C/COCC(C)S aa6cac99a5f42a16ef0496b3860a966b [1,1,0,0,0,0|0,0,2]=4 6012 B9R0.2 CC/C=C/COC[C@@H](C)F acbfd9459e7bcab51f27965009855a34 [1,1,0,0,0,0|0,0,2]=4 6013 B9R0.2 CC/C=C/COC[C@H](C)F 2d1fc03ea761a5394b91eddee2271875 [1,1,0,0,0,0|0,0,2]=4 6014 B9R0.2 CC/C=C\COCC(C)C 023c589a61e57ea137047af369f5362e [1,1,0,0,0,0|0,0,2]=4 6015 B9R0.2 CC=CCOCCC(C)C 6a4ac7fe69724da0bd8975ee85d858c6 [1,1,0,0,0,0|0,0,2]=4 6016 B9R0.2 CCC#CCOCC(C)C a04b50d4ebf4a81d083f6e8e3ac2dd13 [1,1,0,0,0,0|0,0,2]=4 6017 B9R0.2 CCCCCCNC(=O)C 39216d9115deaeddca0efb3bbde5d8cb [1,1,0,0,0,0|1,0,1]=4 6018 B9R0.2 CCCCCCNC(C)C b4470bdb41ca94cf2ace2a9a22274307 [1,1,0,0,0,0|1,0,0]=3 6019 B9R0.2 CCCCCCOC(C)C 7177762ff96f664d7658fbf17ddec082 [1,1,0,0,0,0|1,0,0]=3 6020 B9R0.2 CCCCCNCC(=O)C 08234591298ac478e9a5e187e3c7cd4f [1,1,0,0,0,0|1,0,1]=4 6021 B9R0.2 CCCCCNCC(C)C 2a266c7fc85c9a2097a02175858c3e33 [1,1,0,0,0,0|1,0,0]=3 6022 B9R0.2 CCCCCNCC(C)O 9e9132e8083003550d3545b55a454f7b [1,1,0,0,0,0|1,0,0]=3 6023 B9R0.2 CCCCCNCC(F)F 546ed23aa626cb81583b04244998e9ea [1,1,0,0,0,0|2,0,0]=4 6024 B9R0.2 CCCCCNCN(C)C cc00a7884694b92aef8507ef5e7e7b05 [1,1,0,0,0,0|2,0,0]=4 6025 B9R0.2 CCCCCNC[C@@H](C)O 089be76a49b8d969c37e3bf761f099cf [1,1,0,0,0,0|1,0,0]=3 6026 B9R0.2 CCCCCNC[C@H](C)O 5a490e8ff74a89416bf9c7c48d9e8ab5 [1,1,0,0,0,0|1,0,0]=3 6027 B9R0.2 CCCCCOCC(=O)C 499380b88b419c17c81350fa0478ac8c [1,1,0,0,0,0|0,0,1]=3 6028 B9R0.2 CCCCCOCC(=O)N ac3a2c078e0201ad0c0dae7872f135fb [1,1,0,0,0,0|1,0,1]=4 6029 B9R0.2 CCCCCOCC(=O)O 880094d6a378029586dbdb044c20be8e [1,1,0,0,0,0|1,0,1]=4 6030 B9R0.2 CCCCCOCC(=S)N 2157e345254c9ce27b0fedd6edd60b5b [1,1,0,0,0,0|1,0,1]=4 6031 B9R0.2 CCCCCOCC(C)C a6db06e9998ef0b98995e61e46447184 [1,1,0,0,0,0|0,0,0]=2 6032 B9R0.2 CCCCCOCC(C)F eea869a5391d0127cad74008c90486f9 [1,1,0,0,0,0|0,0,0]=2 6033 B9R0.2 CCCCCOCC(C)S 1bb6ad855d7b5438b56773aa5b3dc08b [1,1,0,0,0,0|0,0,0]=2 6034 B9R0.2 CCCCCOCC(F)F 7959a5412761a52345173213c0a3fe31 [1,1,0,0,0,0|1,0,0]=3 6035 B9R0.2 CCCCCOCN(C)C b0d8f24f2252be6a84119d1d5f4bf089 [1,1,0,0,0,0|1,0,0]=3 6036 B9R0.2 CCCCCOCS(=O)O b56ed3ff0a872daa7a558b28dc11bf7a [1,1,0,0,0,0|2,0,0]=4 6037 B9R0.2 CCCCCOC[C@@H](C)F 9a29c6c5b8fac1212082a3622373ef64 [1,1,0,0,0,0|0,0,0]=2 6038 B9R0.2 CCCCCOC[C@H](C)F 994b6cd7a84a65d29551f84dadbfb8db [1,1,0,0,0,0|0,0,0]=2 6039 B9R0.2 CCCCCOC[N+](=O)[O-] 7029c11439826706543058f3e0154ee4 [1,1,0,0,0,0|2,0,0]=4 6040 B9R0.2 CCCCNCCC(=O)C 23aeaf3a105e0d1d74c9a684b3a6ae92 [1,1,0,0,0,0|1,0,1]=4 6041 B9R0.2 CCCCNCCC(C)C 44a9470711d30a7f4f911ef0e5708bda [1,1,0,0,0,0|1,0,0]=3 6042 B9R0.2 CCCCNCCC(C)O a3707e567169e0cb89818b82dd0db2ad [1,1,0,0,0,0|1,0,0]=3 6043 B9R0.2 CCCCNCCC(F)F f6b630447e80f020d036db13b3666b19 [1,1,0,0,0,0|2,0,0]=4 6044 B9R0.2 CCCCNCCN(C)C 276e58670905c90d29cab37bd4cde7f0 [1,1,0,0,0,0|2,0,0]=4 6045 B9R0.2 CCCCNCCS(=O)C ae9a13c0fc24ec4aec99b86861ef96f8 [1,1,0,0,0,0|2,0,0]=4 6046 B9R0.2 CCCCNCC[C@@H](C)O b4194f7259d3966751a8302ac0afc5f6 [1,1,0,0,0,0|1,0,0]=3 6047 B9R0.2 CCCCNCC[C@H](C)O 2bd9e0d91881457396737c14485be5ce [1,1,0,0,0,0|1,0,0]=3 6048 B9R0.2 CCCCNCOC(C)C 32a6bb964d8d43a916c6ff2488841278 [1,1,0,0,0,0|2,0,0]=4 6049 B9R0.2 CCCCOC/C=C(/C)\Cl 960fdaf47adbe5ca8fe9706c44ec1044 [1,1,0,0,0,0|0,0,2]=4 6050 B9R0.2 CCCCOC/C=C(/C)\I b03bc4260bec39be9cf79aca08c38129 [1,1,0,0,0,0|0,0,2]=4 6051 B9R0.2 CCCCOC/C=C(\C)/Cl 743307406907de86af1ae076bd836ab4 [1,1,0,0,0,0|0,0,2]=4 6052 B9R0.2 CCCCOCC=C(C)C 761455161b359ecdf381fb2c7e2674d3 [1,1,0,0,0,0|0,0,2]=4 6053 B9R0.2 CCCCOCC=C(C)Cl 48d4f013d4d198147254b8b64c0376c6 [1,1,0,0,0,0|0,0,2]=4 6054 B9R0.2 CCCCOCC=C(C)I b84310eb2159cdbf6c2e4af756a6961c [1,1,0,0,0,0|0,0,2]=4 6055 B9R0.2 CCCCOCCC(=O)C 6113a5294b2f420804d815edd80f0f40 [1,1,0,0,0,0|0,0,1]=3 6056 B9R0.2 CCCCOCCC(=O)N 5eb5a710abf4db2a2dded5d930468391 [1,1,0,0,0,0|1,0,1]=4 6057 B9R0.2 CCCCOCCC(=O)O f7b98599c570a58f82c0818a4675303f [1,1,0,0,0,0|1,0,1]=4 6058 B9R0.2 CCCCOCCC(C)C 957ebfe7946e25745350d003aae73b70 [1,1,0,0,0,0|0,0,0]=2 6059 B9R0.2 CCCCOCCC(F)F e0eb329f82786f9e804b9c4e3afd51ae [1,1,0,0,0,0|1,0,0]=3 6060 B9R0.2 CCCCOCCN(C)C ff1cbc5eb8ee420c66fac7f9df7f979c [1,1,0,0,0,0|1,0,0]=3 6061 B9R0.2 CCCCOCCS(=O)C c23ab1353236b7d3fb5d5b7810b75cb1 [1,1,0,0,0,0|1,0,0]=3 6062 B9R0.2 CCCCOCC[N+](=O)[O-] 449ae182546390483eb4b610198267f3 [1,1,0,0,0,0|2,0,0]=4 6063 B9R0.2 CCCCOCNC(=O)C c90275af9c3de9eb05be63b1efa3b4d9 [1,1,0,0,0,0|1,0,1]=4 6064 B9R0.2 CCCCOCOC(=O)C 52b453d7294c4b6acb8f00c70315374a [1,1,0,0,0,0|1,0,1]=4 6065 B9R0.2 CCCCOCOC(C)C 1a657fac5692c1c4dd3717de120d3c93 [1,1,0,0,0,0|1,0,0]=3 6066 B9R0.2 CCCNCCCC(=O)C 59b56db2c5ba6f2408c45d91cf5d07cf [1,1,0,0,0,0|1,0,1]=4 6067 B9R0.2 CCCNCCCC(C)C 56db38ca7131898df70223675d651c95 [1,1,0,0,0,0|1,0,0]=3 6068 B9R0.2 CCCNCCCC(C)O 6371182df2267961651c217c5a9d8ec2 [1,1,0,0,0,0|1,0,0]=3 6069 B9R0.2 CCCNCCCN(C)C 565fce1d806476fa729807ee12ce30bc [1,1,0,0,0,0|2,0,0]=4 6070 B9R0.2 CCCNCCCS(=O)C bf3c6efa073e1467345d7cbddc3f20fe [1,1,0,0,0,0|2,0,0]=4 6071 B9R0.2 CCCNCCOC(C)C a36201cd1faa30cc90dfa4534e111392 [1,1,0,0,0,0|2,0,0]=4 6072 B9R0.2 CCCNCCSC(C)C a872a112cc2ac280d6e9a6471fc205b7 [1,1,0,0,0,0|2,0,0]=4 6073 B9R0.2 CCCOC/C=C/C(C)C d81d713f1cad00b19fa195cb6ef21d6a [1,1,0,0,0,0|0,0,2]=4 6074 B9R0.2 CCCOCCC=C(C)C ff6fc9b7b0a2446d5a1ca048cc1d0112 [1,1,0,0,0,0|0,0,2]=4 6075 B9R0.2 CCCOCCCC(=O)C 3197867314079ee7d28a75ba48b024e1 [1,1,0,0,0,0|0,0,1]=3 6076 B9R0.2 CCCOCCCC(=O)N 070095bcac514fc69d894401c1bbf694 [1,1,0,0,0,0|1,0,1]=4 6077 B9R0.2 CCCOCCCC(=O)O 0bf29d754b3e882141bfdc8089deee25 [1,1,0,0,0,0|1,0,1]=4 6078 B9R0.2 CCCOCCCC(C)C c11f5e919ab6207bf876cd919599bef7 [1,1,0,0,0,0|0,0,0]=2 6079 B9R0.2 CCCOCCCN(C)C a5a11dc7f53dac0e7d443525259da51c [1,1,0,0,0,0|1,0,0]=3 6080 B9R0.2 CCCOCCC[N+](=O)[O-] 04dd13287e8e1e4ca4b0686285155fd0 [1,1,0,0,0,0|2,0,0]=4 6081 B9R0.2 CCCOCCNC(=O)C 2d108407d153229ed52501407a328bfe [1,1,0,0,0,0|1,0,1]=4 6082 B9R0.2 CCCOCCNC(C)C 7aefc36312fbf4532ce181795209f5a8 [1,1,0,0,0,0|1,0,0]=3 6083 B9R0.2 CCCOCCOC(=O)C f41b865aa303cc7ca2bd22086d82154a [1,1,0,0,0,0|1,0,1]=4 6084 B9R0.2 CCCOCCOC(C)C bab68f481c98df0f765c595bef6a5e4a [1,1,0,0,0,0|1,0,0]=3 6085 B9R0.2 CCCOCCOC(F)F c78f44a299a7003b86f36c791ac4f4cb [1,1,0,0,0,0|2,0,0]=4 6086 B9R0.2 CCCOCCSC(=O)C e5fbc3852cf2e5bc0f0d48122e1eb071 [1,1,0,0,0,0|1,0,1]=4 6087 B9R0.2 CCCOCCSC(C)C 0d579bdcea82cf2a4acdb4f347d812d6 [1,1,0,0,0,0|1,0,0]=3 6088 B9R0.2 CCCSCCOC(C)C 8e6bb888e1203bd9af5e8ced33d33d2f [1,1,0,0,0,0|1,1,0]=4 6089 B9R0.2 CCNCCCCC(F)F 2dd047592be1958476fa43859c85a716 [1,1,0,0,0,0|2,0,0]=4 6090 B9R0.2 CCNCCCCN(C)C bd4636e7f8e238c7c023973181018ff7 [1,1,0,0,0,0|2,0,0]=4 6091 B9R0.2 CCNCCCOC(C)C bf0f131a31f6c2e0866ee46d7e3709c8 [1,1,0,0,0,0|2,0,0]=4 6092 B9R0.2 CCNCCCSC(C)C 1664e112e26fad8ea8219d15a287380a [1,1,0,0,0,0|2,0,0]=4 6093 B9R0.2 CCOCCCCC(=O)C ecee09a6206772fa3d500ecaf82261c4 [1,1,0,0,0,0|1,0,1]=4 6094 B9R0.2 CCOCCCCC(C)C 342635d8f7fe78b6b1c62374e4a1ad34 [1,1,0,0,0,0|1,0,0]=3 6095 B9R0.2 CCOCCCCN(C)C dea41cf883e4c072591bc50e93d6cb14 [1,1,0,0,0,0|2,0,0]=4 6096 B9R0.2 CCOCCCNC(C)C 93d73fcbcef1f0ae5a5208d58166de47 [1,1,0,0,0,0|2,0,0]=4 6097 B9R0.2 CCOCCCOC(C)C 79b03285e9de17d902d386594f324d94 [1,1,0,0,0,0|2,0,0]=4 6098 B9R0.2 CCOCCCSC(C)C d7c8acb2b1c37720cb4ac66002e8eb42 [1,1,0,0,0,0|2,0,0]=4 6099 B9R0.2 CCOCCNCC(C)C ecbbd9a63640a838bd76d766bc10c809 [1,1,0,0,0,0|2,0,0]=4 6100 B9R0.2 CCOCCNCC(C)O 611c0ca058030afcafaa92e361f179d4 [1,1,0,0,0,0|2,0,0]=4 6101 B9R0.2 CCOCCNC[C@@H](C)O 6d9cab9a552edc18dd5f7603d3564ae0 [1,1,0,0,0,0|2,0,0]=4 6102 B9R0.2 CCOCCNC[C@H](C)O 223aa1e1127120cb9bd81fef9db0a862 [1,1,0,0,0,0|2,0,0]=4 6103 B9R0.2 CCOCCOCC(=O)C f2abab147e228f0c5e3f118094e5ae3e [1,1,0,0,0,0|1,0,1]=4 6104 B9R0.2 CCOCCOCC(C)C e9fe4214d9c0fa878f3f673093ba68ea [1,1,0,0,0,0|1,0,0]=3 6105 B9R0.2 CCOCCOCC(C)F 9188fe7932b66f53f61486ed8f2f2f3c [1,1,0,0,0,0|1,0,0]=3 6106 B9R0.2 CCOCCOCC(C)S 0223dcf2cd9d69c451bea5deb117eff2 [1,1,0,0,0,0|1,0,0]=3 6107 B9R0.2 CCOCCOCC(F)F 90dbdd284341ca4379a649e12cc6d1d1 [1,1,0,0,0,0|2,0,0]=4 6108 B9R0.2 CCOCCOCN(C)C be882054dca13592fbfa1c1c3be9b3f2 [1,1,0,0,0,0|2,0,0]=4 6109 B9R0.2 CCOCCOC[C@@H](C)F 5637a0534ee3ff5f9e58db5983881bae [1,1,0,0,0,0|1,0,0]=3 6110 B9R0.2 CCOCCOC[C@H](C)F 1cb0344efe98c854bf3ed1952a27484e [1,1,0,0,0,0|1,0,0]=3 6111 B9R0.2 CCOCCSCC(C)C 1db7fe88d2d1b198894600681527b614 [1,1,0,0,0,0|1,1,0]=4 6112 B9R0.2 CCOCNCCC(C)C 9873351f853c3c87377269228f45c34b [1,1,0,0,0,0|2,0,0]=4 6113 B9R0.2 CCOCNCCC(C)O 3138bbeaedff2fa3dde2a5a9e1e37e46 [1,1,0,0,0,0|2,0,0]=4 6114 B9R0.2 CCOCNCC[C@@H](C)O 0c1a73cdbcd329869c52458b6af4331f [1,1,0,0,0,0|2,0,0]=4 6115 B9R0.2 CCOCNCC[C@H](C)O 003c7a0673a396cd2acd25751a1511c1 [1,1,0,0,0,0|2,0,0]=4 6116 B9R0.2 CCOCOCCC(=O)C 7c05b5d301547a7a379eefc6a013d22c [1,1,0,0,0,0|1,0,1]=4 6117 B9R0.2 CCOCOCCC(C)C f454c6a8aefdf374dd25a8036b00280e [1,1,0,0,0,0|1,0,0]=3 6118 B9R0.2 CCOCOCCC(F)F 67c952444489aba3c2b3a4a38ca36cd9 [1,1,0,0,0,0|2,0,0]=4 6119 B9R0.2 CCOCOCCN(C)C de966222b2737106a1751302194d1266 [1,1,0,0,0,0|2,0,0]=4 6120 B9R0.2 CCOCOCCS(=O)C f04de07af9056c7493e646cd0008b732 [1,1,0,0,0,0|2,0,0]=4 6121 B9R0.2 CCSCCCOC(C)C 0e3df08000ea9b3558ff1004da6ad34a [1,1,0,0,0,0|2,0,0]=4 6122 B9R0.2 CCSCCNCC(C)C 446c2a5ccc09cd5d359a3cee8be6f12a [1,1,0,0,0,0|2,0,0]=4 6123 B9R0.2 CCSCCNCC(C)O 255c79b1ecfe5100a12c3f45792442aa [1,1,0,0,0,0|2,0,0]=4 6124 B9R0.2 CCSCCNC[C@@H](C)O dce2c609bf5c9629ce4288427c7c1b86 [1,1,0,0,0,0|2,0,0]=4 6125 B9R0.2 CCSCCNC[C@H](C)O 57cfac9b9d430cd163d92566fb0015bb [1,1,0,0,0,0|2,0,0]=4 6126 B9R0.2 CCSCCOCC(=O)C 3e35f56d483cc24657d76c6dcc48c959 [1,1,0,0,0,0|1,0,1]=4 6127 B9R0.2 CCSCCOCC(C)C 9d1b1bb0fe2644527836abcf3662bc41 [1,1,0,0,0,0|1,0,0]=3 6128 B9R0.2 CCSCCOCC(C)F b977a3a2c25895638731077df04d48c4 [1,1,0,0,0,0|1,0,0]=3 6129 B9R0.2 CCSCCOCC(C)S a0ca6800f8fbd295c6c904c02341e69c [1,1,0,0,0,0|1,0,0]=3 6130 B9R0.2 CCSCCOCC(F)F 18e7f2c09b15006082c1c7090db28e62 [1,1,0,0,0,0|2,0,0]=4 6131 B9R0.2 CCSCCOCN(C)C 2a192e11ef14d65a90ab6c279c05b642 [1,1,0,0,0,0|2,0,0]=4 6132 B9R0.2 CCSCCOC[C@@H](C)F 92527a43376f51e83291052d8d5c7931 [1,1,0,0,0,0|1,0,0]=3 6133 B9R0.2 CCSCCOC[C@H](C)F 184264c89b3dcd4df63f8b64030bc09b [1,1,0,0,0,0|1,0,0]=3 6134 B9R0.2 CN(C)CCCOCCF a7df49991897dfbb49ed835180fe1088 [1,1,0,0,0,0|2,0,0]=4 6135 B9R0.2 CN(C)CCCOCCS 3af92dda4b9e2224496578fdef8cfa7a [1,1,0,0,0,0|2,0,0]=4 6136 B9R0.2 CN(C)CCOCCCF f595570429aaee01af560f651a899838 [1,1,0,0,0,0|2,0,0]=4 6137 B9R0.2 CN(C)CCOCCCS 5bd31e992404b2c72d057532a8c36ac4 [1,1,0,0,0,0|2,0,0]=4 6138 B9R0.2 CN(C)COCCCCF 4b8a8ddf80b6dba2e0d3a10db8cfd4ef [1,1,0,0,0,0|2,0,0]=4 6139 B9R0.2 CN(C)COCCCCS c413946ba779e48e8eb09e4fe22ce4a0 [1,1,0,0,0,0|2,0,0]=4 6140 B9R0.2 COCCCCNC(C)C 76ef922fd8949c4600bb5547f94255b3 [1,1,0,0,0,0|2,0,0]=4 6141 B9R0.2 COCCCCOC(C)C 2673da365c8df0819dfc7bbaba2b5119 [1,1,0,0,0,0|2,0,0]=4 6142 B9R0.2 COCCCNCC(C)C bf566d23980e1ea260c63a591e9b663d [1,1,0,0,0,0|2,0,0]=4 6143 B9R0.2 COCCCNCC(C)O 3fa2a5428f19c5ffc20a47da566fdcc9 [1,1,0,0,0,0|2,0,0]=4 6144 B9R0.2 COCCCNC[C@@H](C)O 19ff1dcbdf3c48021f5a90586903a0ef [1,1,0,0,0,0|2,0,0]=4 6145 B9R0.2 COCCCNC[C@H](C)O d9eaf91d3d886af5c13acd54dbb750ef [1,1,0,0,0,0|2,0,0]=4 6146 B9R0.2 COCCCOCC(=O)C b6c57de0e6612bd98a91c89c61f27b6a [1,1,0,0,0,0|1,0,1]=4 6147 B9R0.2 COCCCOCC(C)C 1272a422ddfd10e75e400223356cdd9a [1,1,0,0,0,0|1,0,0]=3 6148 B9R0.2 COCCCOCC(C)F eb6ba4f37920928c32191df79ebe3a6c [1,1,0,0,0,0|1,0,0]=3 6149 B9R0.2 COCCCOCC(C)S 137ee41dd5ea0c704156e5b0c5f62486 [1,1,0,0,0,0|1,0,0]=3 6150 B9R0.2 COCCCOCC(F)F 4a7e1d079a370e1467e3540573866ca8 [1,1,0,0,0,0|2,0,0]=4 6151 B9R0.2 COCCCOCN(C)C 648331bd5702828a9b137d1fb44ead58 [1,1,0,0,0,0|2,0,0]=4 6152 B9R0.2 COCCCOC[C@@H](C)F 1ec6debb1bdf8a47dd1a791b34971197 [1,1,0,0,0,0|1,0,0]=3 6153 B9R0.2 COCCCOC[C@H](C)F 6e61567e3d77370f5edcd48e58109ce5 [1,1,0,0,0,0|1,0,0]=3 6154 B9R0.2 COCCNCCC(C)C 4155c1515ea713609c1b589b2eb003e2 [1,1,0,0,0,0|2,0,0]=4 6155 B9R0.2 COCCNCCC(C)O 5a263a3731f96a2126baacd5857d34eb [1,1,0,0,0,0|2,0,0]=4 6156 B9R0.2 COCCNCC[C@@H](C)O f612119892ead8b98da5c14432e134c2 [1,1,0,0,0,0|2,0,0]=4 6157 B9R0.2 COCCNCC[C@H](C)O a9e2983c33d9a1a4326532535161c921 [1,1,0,0,0,0|2,0,0]=4 6158 B9R0.2 COCCOCCC(=O)C 42b719221818bf1f4cbfe81de3e7676a [1,1,0,0,0,0|1,0,1]=4 6159 B9R0.2 COCCOCCC(C)C c37823bd4133695864346194e978635d [1,1,0,0,0,0|1,0,0]=3 6160 B9R0.2 COCCOCCC(F)F 16b6e3ad92ff5bfc99240fdabc217672 [1,1,0,0,0,0|2,0,0]=4 6161 B9R0.2 COCCOCCN(C)C b752482c43e8088686246e63a6b59a80 [1,1,0,0,0,0|2,0,0]=4 6162 B9R0.2 COCCOCCS(=O)C 86bcbfcb08f01b0bfbc64141840f37ac [1,1,0,0,0,0|2,0,0]=4 6163 B9R0.2 COCCOCOC(C)C 4d694a6db0f056e220542047e9e2f5b8 [1,1,0,0,0,0|2,0,0]=4 6164 B9R0.2 COCNCCCC(C)C bbbf765fc3f4b35e132dc40fc1ce89d5 [1,1,0,0,0,0|2,0,0]=4 6165 B9R0.2 COCOCCCC(=O)C f43054086d226c36ed78969c345787dd [1,1,0,0,0,0|1,0,1]=4 6166 B9R0.2 COCOCCCC(C)C b6376f7988031ced242015bf9ea6e16c [1,1,0,0,0,0|1,0,0]=3 6167 B9R0.2 COCOCCCN(C)C 531827a5f13be57bcd453a1b7e639669 [1,1,0,0,0,0|2,0,0]=4 6168 B9R0.2 COCOCCOC(C)C c418aaf8263558edb8f5aacd68765aa0 [1,1,0,0,0,0|2,0,0]=4 6169 B9R0.2 COCOCCSC(C)C 0a0af36175a44125d404ef105654562a [1,1,0,0,0,0|2,0,0]=4 6170 B9R0.2 CS(=O)CCOCCCF b2d20f8c00cb33511ad5dd154685d73b [1,1,0,0,0,0|2,0,0]=4 6171 B9R0.2 CS(=O)CCOCCCS 34f7c62298978ab6289d98144f16f05f [1,1,0,0,0,0|2,0,0]=4 6172 B9R0.2 CSCCCCNC(C)C 89272abc2319549271708a10b3af78bf [1,1,0,0,0,0|2,0,0]=4 6173 B9R0.2 CSCCCCOC(C)C 2ad90a573f22b9281a43606f86023650 [1,1,0,0,0,0|2,0,0]=4 6174 B9R0.2 CSCCCNCC(C)C fbc5d0ff33373988a8d1d4c2362d539a [1,1,0,0,0,0|2,0,0]=4 6175 B9R0.2 CSCCCNCC(C)O 70ba937df7d6587395a5fab866fc28ac [1,1,0,0,0,0|2,0,0]=4 6176 B9R0.2 CSCCCNC[C@@H](C)O ec89de1321ce8438e9244c3e8270c36c [1,1,0,0,0,0|2,0,0]=4 6177 B9R0.2 CSCCCNC[C@H](C)O 475d2e539a8bb49c6c6a6ef930e9a225 [1,1,0,0,0,0|2,0,0]=4 6178 B9R0.2 CSCCCOCC(=O)C 5454163a2a07a4d14ee03189c1897a43 [1,1,0,0,0,0|1,0,1]=4 6179 B9R0.2 CSCCCOCC(C)C 8b18b043a1967eed5beb35729f9f3032 [1,1,0,0,0,0|1,0,0]=3 6180 B9R0.2 CSCCCOCC(C)F fb8f5661fe5e118443b0b8194d9f5196 [1,1,0,0,0,0|1,0,0]=3 6181 B9R0.2 CSCCCOCC(C)S 52063da032ff25ab2394e2cea976515f [1,1,0,0,0,0|1,0,0]=3 6182 B9R0.2 CSCCCOCC(F)F fe336b835cacf73b4b2d62c9b5e7cbb3 [1,1,0,0,0,0|2,0,0]=4 6183 B9R0.2 CSCCCOCN(C)C d7c517b474222d3097d2093dacc02855 [1,1,0,0,0,0|2,0,0]=4 6184 B9R0.2 CSCCCOC[C@@H](C)F 9a1964d54084a5675ac3cf2784746b35 [1,1,0,0,0,0|1,0,0]=3 6185 B9R0.2 CSCCCOC[C@H](C)F d1e1ea5a268d69ccddfc660114ccd331 [1,1,0,0,0,0|1,0,0]=3 6186 B9R0.2 CSCCNCCC(C)C cf166809875f8d45beee49bb4be24b4d [1,1,0,0,0,0|2,0,0]=4 6187 B9R0.2 CSCCNCCC(C)O 4a4c316f91a0372beec10a189d68dd5b [1,1,0,0,0,0|2,0,0]=4 6188 B9R0.2 CSCCNCC[C@@H](C)O 7a799516c179e00cbc9167de39b00a4c [1,1,0,0,0,0|2,0,0]=4 6189 B9R0.2 CSCCNCC[C@H](C)O 186d378f131bc2cabd51a436e26a9ce8 [1,1,0,0,0,0|2,0,0]=4 6190 B9R0.2 CSCCOCCC(=O)C b7c06c5f50bd774c354bac5b4a853359 [1,1,0,0,0,0|1,0,1]=4 6191 B9R0.2 CSCCOCCC(C)C b19dbbca3d7d14ce50c61b7cd3faaa35 [1,1,0,0,0,0|1,0,0]=3 6192 B9R0.2 CSCCOCCC(F)F fab996804f0a92d60a3f4918b8916c86 [1,1,0,0,0,0|2,0,0]=4 6193 B9R0.2 CSCCOCCN(C)C 969ed6821457fe6bfffdb86e444e4022 [1,1,0,0,0,0|2,0,0]=4 6194 B9R0.2 CSCCOCCS(=O)C 523f86987ced443a666b87f6e3cb1410 [1,1,0,0,0,0|2,0,0]=4 6195 B9R0.2 CSCCOCOC(C)C b39e85898cd110593f95136e4452c100 [1,1,0,0,0,0|2,0,0]=4 6196 B9R0.2 CSCNCCCC(C)C 379e4d8d4775e747da63f781d2dc7221 [1,1,0,0,0,0|2,0,0]=4 6197 B9R0.2 CSCOCCCC(=O)C 37d7fc5efc38029b2c30ac3a6898185c [1,1,0,0,0,0|1,0,1]=4 6198 B9R0.2 CSCOCCCC(C)C ed6187b45ed6496b8f876fb1e5cbbc93 [1,1,0,0,0,0|1,0,0]=3 6199 B9R0.2 CSCOCCCN(C)C 67e9e6675f38b9fefe2dc2717be11618 [1,1,0,0,0,0|2,0,0]=4 6200 B9R0.2 CSCOCCOC(C)C cc5e52361a7cced05418082823d77680 [1,1,0,0,0,0|2,0,0]=4 6201 B9R0.2 CSCOCCSC(C)C 7e447793a37715fe5447f3116a31b375 [1,1,0,0,0,0|2,0,0]=4 6202 B9R0.2 C[C@@H](F)COCCCC#N 65371c8ec7247b929d471325130b4e72 [1,1,0,0,0,0|1,0,1]=4 6203 B9R0.2 C[C@@H](F)COCCCC=O 15ec93434fa37469dace6cc0d307b1c7 [1,1,0,0,0,0|1,0,1]=4 6204 B9R0.2 C[C@@H](F)COCCCCF f8def687c98c5c6df6975b0770735a53 [1,1,0,0,0,0|1,0,0]=3 6205 B9R0.2 C[C@@H](O)CCNCCCF 521c04738e2931c8a66f22d645802491 [1,1,0,0,0,0|2,0,0]=4 6206 B9R0.2 C[C@@H](O)CCNCCCO 879875d53905068a86ee9621ae8c2b21 [1,1,0,0,0,0|2,0,0]=4 6207 B9R0.2 C[C@@H](O)CCNCCCS ebf487901d26eddea2cf7ce80728d7f7 [1,1,0,0,0,0|2,0,0]=4 6208 B9R0.2 C[C@@H](O)CNCCCCCl 491b5c1622254008509a4ba8e9ab1cd6 [1,1,0,0,0,0|2,0,0]=4 6209 B9R0.2 C[C@@H](O)CNCCCCF fe799b76acda16431cb6fa5d25600b49 [1,1,0,0,0,0|2,0,0]=4 6210 B9R0.2 C[C@@H](O)CNCCCCO fa414208f6ad4c98dcfebb658b545113 [1,1,0,0,0,0|2,0,0]=4 6211 B9R0.2 C[C@@H](O)CNCCCCS 84fb62362fb54da5594d3cc03c2130c9 [1,1,0,0,0,0|2,0,0]=4 6212 B9R0.2 C[C@H](F)COCCCC#N e4c83abb71772f7d5f30c0eb48190a67 [1,1,0,0,0,0|1,0,1]=4 6213 B9R0.2 C[C@H](F)COCCCC=O cd3cf6e1ccde2460618b3cd07e9f0c33 [1,1,0,0,0,0|1,0,1]=4 6214 B9R0.2 C[C@H](F)COCCCCF 35f93a703ac968545927846cf35ea3d3 [1,1,0,0,0,0|1,0,0]=3 6215 B9R0.2 C[C@H](O)CCNCCCF d124f436f6525e8f868f951a59d90c84 [1,1,0,0,0,0|2,0,0]=4 6216 B9R0.2 C[C@H](O)CCNCCCO a698db67babc45413efb0087ad25aad2 [1,1,0,0,0,0|2,0,0]=4 6217 B9R0.2 C[C@H](O)CCNCCCS 35694b8a490fc55e24732d5b3a080a19 [1,1,0,0,0,0|2,0,0]=4 6218 B9R0.2 C[C@H](O)CNCCCCCl 10f974d9cf94c158b1c6d32ae2032c20 [1,1,0,0,0,0|2,0,0]=4 6219 B9R0.2 C[C@H](O)CNCCCCF bcc3069b5de5f2b89ea30d65e6f3b680 [1,1,0,0,0,0|2,0,0]=4 6220 B9R0.2 C[C@H](O)CNCCCCO a15a5bb9bd70a0ca5b76d0de8e96df0c [1,1,0,0,0,0|2,0,0]=4 6221 B9R0.2 C[C@H](O)CNCCCCS 57a34e18d1e9185556f58eb4a371705c [1,1,0,0,0,0|2,0,0]=4 6222 B9R0.2 FC(F)CCOCCCS a20a18bc9902593c5119434f2702edb1 [1,1,0,0,0,0|2,0,0]=4 6223 B9R0.2 FC(F)COCCCCS 3c0a2db65a8b7696b82c1b28e9e6ba39 [1,1,0,0,0,0|2,0,0]=4 6224 B9R0.2 FCCCCOCC(F)F 9aef545517c67cfea5552d34a1e61b19 [1,1,0,0,0,0|2,0,0]=4 6225 B9R0.2 FCCCOCCC(F)F cfbf1d0cb86f4c82356c5105a3b2c436 [1,1,0,0,0,0|2,0,0]=4 6226 B9R0.5 C#CCC(C)OCCCC 3a5366f38714e97cb3c833249cab808f [1,1,0,0,0,0|0,0,2]=4 6227 B9R0.5 C#CCCOC(C)CCC a70aa8722baf3a9125f9432a7960a0be [1,1,0,0,0,0|0,0,2]=4 6228 B9R0.5 C#CCCO[C@@H](C)CCC 1889342444b5986ac23fd7d8905b8696 [1,1,0,0,0,0|0,0,2]=4 6229 B9R0.5 C#CCCO[C@H](C)CCC 03af549e529e38edc0177e403db447af [1,1,0,0,0,0|0,0,2]=4 6230 B9R0.5 C#CCOCC(C)CCC 0845bb71eb89f7cb8e63dbf816f3ca7b [1,1,0,0,0,0|0,0,2]=4 6231 B9R0.5 C/C=C/C(C)OCCCC fe4021be7eb9ddab5576a9db273dea52 [1,1,0,0,0,0|0,0,2]=4 6232 B9R0.5 C/C=C/COC(C)CCC a6e59ae28c0c34f6eedadaf099aafb27 [1,1,0,0,0,0|0,0,2]=4 6233 B9R0.5 C/C=C/CO[C@@H](C)CCC b66297a329f1e1c26d05b6e0d0ac20df [1,1,0,0,0,0|0,0,2]=4 6234 B9R0.5 C/C=C/CO[C@H](C)CCC 70aa5707c6d08668294aad6994e779dd [1,1,0,0,0,0|0,0,2]=4 6235 B9R0.5 C/C=C\COC(C)CCC 102d743543b548919f64c38591b0353c [1,1,0,0,0,0|0,0,2]=4 6236 B9R0.5 C/C=C\CO[C@@H](C)CCC 15fdc9e2ab820da53fed20ee462f4ed6 [1,1,0,0,0,0|0,0,2]=4 6237 B9R0.5 C/C=C\CO[C@H](C)CCC ecef0772e98ee0244af99c76294d1d3d [1,1,0,0,0,0|0,0,2]=4 6238 B9R0.5 C=CCC(C)COCCC 7e85aeea39477af9cfd8878a56719121 [1,1,0,0,0,0|0,0,2]=4 6239 B9R0.5 C=CCC(C)OCCCC f19d39a50fdfd6ad2267d2fbf05a2b41 [1,1,0,0,0,0|0,0,2]=4 6240 B9R0.5 C=CCCOC(C)CCC 3bc391c8caa568c3a41dda672f336f05 [1,1,0,0,0,0|0,0,2]=4 6241 B9R0.5 C=CCCO[C@@H](C)CCC 634f8c2d0d3b6aefd8ef784383af89c4 [1,1,0,0,0,0|0,0,2]=4 6242 B9R0.5 C=CCCO[C@H](C)CCC e04f21559b7527421350b2a9527639e7 [1,1,0,0,0,0|0,0,2]=4 6243 B9R0.5 C=CCOCC(C)CCC 62c75ffd71b3ed1355d16fce7eaab29a [1,1,0,0,0,0|0,0,2]=4 6244 B9R0.5 C=CC[C@@H](C)OCCCC b20fd45ea1dd5c3cccb6f7a22cc0e480 [1,1,0,0,0,0|0,0,2]=4 6245 B9R0.5 C=CC[C@H](C)OCCCC 591b4bbc39f98a534a3a9dc1d5e7fa51 [1,1,0,0,0,0|0,0,2]=4 6246 B9R0.5 CC#CC(C)OCCCC 8420e9aafd76c9e176b0df5e8abe9c5b [1,1,0,0,0,0|0,0,2]=4 6247 B9R0.5 CC#CCOC(C)CCC c2358fc5f071491a25c68a89a29ed6b6 [1,1,0,0,0,0|0,0,2]=4 6248 B9R0.5 CC=CC(C)OCCCC ac5240649470c3f452111f552f4c343a [1,1,0,0,0,0|0,0,2]=4 6249 B9R0.5 CC=CCOC(C)CCC 66499cff6ab08d1e7101b8388f2409de [1,1,0,0,0,0|0,0,2]=4 6250 B9R0.5 CCCC(=O)COCCF 51c78131a5436c656772daa28f0121d0 [1,1,0,0,0,0|1,0,1]=4 6251 B9R0.5 CCCC(=O)COCCS 77d185d452b3bc72588d0bc7dfa35de5 [1,1,0,0,0,0|1,0,1]=4 6252 B9R0.5 CCCC(=O)COCOC 2e9034a32d4ad47f72112a5c4899eca9 [1,1,0,0,0,0|1,0,1]=4 6253 B9R0.5 CCCC(=S)OCCCF 656dc88ae36c655edad34b161382f41a [1,1,0,0,0,0|1,0,1]=4 6254 B9R0.5 CCCC(=S)OCCCS 23b64448f461e9f987487e187aec0d4a [1,1,0,0,0,0|1,0,1]=4 6255 B9R0.5 CCCC(=S)OCCOC d3db63e9a9ba0e487e0033504dd762c1 [1,1,0,0,0,0|1,0,1]=4 6256 B9R0.5 CCCC(=S)OCCSC ea004ea4cab93907812e5d91a99ec056 [1,1,0,0,0,0|1,0,1]=4 6257 B9R0.5 CCCC(=S)OCOCC adf12bc5807344f3b284867173cde60b [1,1,0,0,0,0|1,0,1]=4 6258 B9R0.5 CCCC(C)CCOCC fe67a7cc659ef52bef19a5dc944a29b6 [1,1,0,0,0,0|1,0,0]=3 6259 B9R0.5 CCCC(C)CCOCF 0cb5a022003d706ff019d67c4e9711a3 [1,1,0,0,0,0|2,0,0]=4 6260 B9R0.5 CCCC(C)CNCCBr 01071ba16f06355621fd3117add4bdcf [1,1,0,0,0,0|2,0,0]=4 6261 B9R0.5 CCCC(C)CNCCF 2b1ebded053a72b29aacc5fbdb91ef11 [1,1,0,0,0,0|2,0,0]=4 6262 B9R0.5 CCCC(C)CNCCI c2eecf7a6c507b8f34c9ac92db84b9f1 [1,1,0,0,0,0|2,0,0]=4 6263 B9R0.5 CCCC(C)CNCCO 3bc26c15d8ec8db27660e3919bc41d54 [1,1,0,0,0,0|2,0,0]=4 6264 B9R0.5 CCCC(C)CNCCS 21fb32cdddc06aafdbe4e6a0ef2b72a4 [1,1,0,0,0,0|2,0,0]=4 6265 B9R0.5 CCCC(C)COCC#N 9a948f8e457c6e38ec460d60ecd1db4d [1,1,0,0,0,0|1,0,1]=4 6266 B9R0.5 CCCC(C)COCC=O b4ade1b0aa3eb14511461dd6fdcc445d [1,1,0,0,0,0|1,0,1]=4 6267 B9R0.5 CCCC(C)COCCF 0fdb5fdd82e128b001f494dd13e39f16 [1,1,0,0,0,0|1,0,0]=3 6268 B9R0.5 CCCC(C)COCCS e83ad570b212142794814ecd59dcbff4 [1,1,0,0,0,0|1,0,0]=3 6269 B9R0.5 CCCC(C)COCOC d3dd9a36e79fb4a250cd68aa368301cd [1,1,0,0,0,0|1,0,0]=3 6270 B9R0.5 CCCC(C)COCSC a7cc616252d6cc26a2a77356fd360dd6 [1,1,0,0,0,0|1,0,0]=3 6271 B9R0.5 CCCC(C)NCCCCl 5700a22c3588a95dd046a2f6ecdd2770 [1,1,0,0,0,0|2,0,0]=4 6272 B9R0.5 CCCC(C)NCCCF d9490460b138502a91541d3935fce6e0 [1,1,0,0,0,0|2,0,0]=4 6273 B9R0.5 CCCC(C)NCCCO f622547af18556e616e7380ad9ee1969 [1,1,0,0,0,0|2,0,0]=4 6274 B9R0.5 CCCC(C)NCCCS 031cf5ec9e793b4ee74fde99b369985a [1,1,0,0,0,0|2,0,0]=4 6275 B9R0.5 CCCC(C)NCCOC b460bfbfdfbe88fc2540edf9ff4fb57d [1,1,0,0,0,0|2,0,0]=4 6276 B9R0.5 CCCC(C)NCCSC 5a102ef2f927e2083554cc79563295b6 [1,1,0,0,0,0|2,0,0]=4 6277 B9R0.5 CCCC(C)NCOCC ee05940e888c279a454284b6a0da33b8 [1,1,0,0,0,0|2,0,0]=4 6278 B9R0.5 CCCC(C)OCCC#N 19ada0dba3fb050d1348d3566c5c5ca7 [1,1,0,0,0,0|1,0,1]=4 6279 B9R0.5 CCCC(C)OCCC=O 075091b3402d4383d6ae76faf45828e2 [1,1,0,0,0,0|1,0,1]=4 6280 B9R0.5 CCCC(C)OCCCF 4e9747e2d6b2c5386230800523638aa2 [1,1,0,0,0,0|1,0,0]=3 6281 B9R0.5 CCCC(C)OCCCS 31bb2609b5394c7a115342253a9a46b7 [1,1,0,0,0,0|1,0,0]=3 6282 B9R0.5 CCCC(C)OCCOC c2e6ce8981bbd0e5e7a872140ce09c7e [1,1,0,0,0,0|1,0,0]=3 6283 B9R0.5 CCCC(C)OCCSC b02b2d120691841f6ce9a1d734fc587b [1,1,0,0,0,0|1,0,0]=3 6284 B9R0.5 CCCC(O)CNCCF 33eb305c30e0d3a33e85488391ef4a6e [1,1,0,0,0,0|2,0,0]=4 6285 B9R0.5 CCCC(O)CNCCO d1eee4b251f066db3df0bab92085c28a [1,1,0,0,0,0|2,0,0]=4 6286 B9R0.5 CCCC(O)CNCCS 257c398a3803f65dd68e425e96f60bbd [1,1,0,0,0,0|2,0,0]=4 6287 B9R0.5 CCCC(O)CNCOC 8d3a032478901361562bdb0c784d41f7 [1,1,0,0,0,0|2,0,0]=4 6288 B9R0.5 CCCC(O)CNCSC 1f0655575f44cd24c8c35c3d3d273691 [1,1,0,0,0,0|2,0,0]=4 6289 B9R0.5 CCCC(S)CCOCC b7c7a04a4d8fea2f0d1d7d9042f682ae [1,1,0,0,0,0|1,0,0]=3 6290 B9R0.5 CCCC(S)CCOCF 423a759d1757980f60ca4920ff746b04 [1,1,0,0,0,0|2,0,0]=4 6291 B9R0.5 CCCCCC(C)NCC 212b1664d44bb18b1fa24a16f6d72877 [1,1,0,0,0,0|1,0,0]=3 6292 B9R0.5 CCCCCC(C)NCF d3dd3d446c50183840c245863d028fda [1,1,0,0,0,0|2,0,0]=4 6293 B9R0.5 CCCCCC(C)NCO 79997f757bd22c3676dd0e07aa87d23c [1,1,0,0,0,0|2,0,0]=4 6294 B9R0.5 CCCCCC(C)OCC 730550df732f69eef1e6a549de510b2c [1,1,0,0,0,0|1,0,0]=3 6295 B9R0.5 CCCCCC(C)OCF 91cb6ddeef5e8a675eb7cdefedcad036 [1,1,0,0,0,0|2,0,0]=4 6296 B9R0.5 CCCCCN(C)CCC b853278094c2f82fca4e6dd3977c6a67 [1,1,0,0,0,0|1,0,0]=3 6297 B9R0.5 CCCCCN(C)CCF c929099b696e86ca8a9f711c65c978ae [1,1,0,0,0,0|2,0,0]=4 6298 B9R0.5 CCCCCN(C)CCO 34410e1ec8513358afcc09dffe161858 [1,1,0,0,0,0|2,0,0]=4 6299 B9R0.5 CCCCCN(C)CCS 4f1dccd506465b82e3719d813f1669cf [1,1,0,0,0,0|2,0,0]=4 6300 B9R0.5 CCCCCN(C)COC 962ac7aa69c9adf59a4c23134026ede4 [1,1,0,0,0,0|2,0,0]=4 6301 B9R0.5 CCCCCN(C)CSC 538501ec3ee1a432d2305140357b5c2c [1,1,0,0,0,0|2,0,0]=4 6302 B9R0.5 CCCCC[C@@H](C)OCC 8f2bb2e64349b01f8c7137850e01df92 [1,1,0,0,0,0|1,0,0]=3 6303 B9R0.5 CCCCC[C@@H](C)OCF dddbd16c736b0cf2a41037d9959ad3e8 [1,1,0,0,0,0|2,0,0]=4 6304 B9R0.5 CCCCC[C@H](C)NCC 0e1700ce314a2064321bc997ef4f9348 [1,1,0,0,0,0|1,0,0]=3 6305 B9R0.5 CCCCC[C@H](C)NCF 69aa97aecc0791c0b87af3dfc98d2c2b [1,1,0,0,0,0|2,0,0]=4 6306 B9R0.5 CCCCC[C@H](C)NCO dadd1abcf3546c9c0b9e976ac187033b [1,1,0,0,0,0|2,0,0]=4 6307 B9R0.5 CCCCC[C@H](C)OCC 2cf9a829d5eb89110544892bd459dee4 [1,1,0,0,0,0|1,0,0]=3 6308 B9R0.5 CCCCC[C@H](C)OCF 127043f0fb9c13be21bff612ac563c1b [1,1,0,0,0,0|2,0,0]=4 6309 B9R0.5 CCCCNC(=O)CCC 2cce597b848ae107def59bee54a0a0bb [1,1,0,0,0,0|1,0,1]=4 6310 B9R0.5 CCCCNC(C)CCC 06cd3d4eadb838cea410097bf17bae5e [1,1,0,0,0,0|1,0,0]=3 6311 B9R0.5 CCCCNC(C)CCO 060a7a1335f70c0676cfbb86f416e991 [1,1,0,0,0,0|2,0,0]=4 6312 B9R0.5 CCCCNC(C)COC 8021317d143fe74bc4de849e2a843e02 [1,1,0,0,0,0|2,0,0]=4 6313 B9R0.5 CCCCN[C@@H](C)CCC ab2be22024a2e965b1370aa5fe48dbdb [1,1,0,0,0,0|1,0,0]=3 6314 B9R0.5 CCCCN[C@@H](C)CCO cd3d50136741c2b9579e5ce175e949c5 [1,1,0,0,0,0|2,0,0]=4 6315 B9R0.5 CCCCN[C@@H](C)COC cdbee656892f2d069b5a9f437e42a186 [1,1,0,0,0,0|2,0,0]=4 6316 B9R0.5 CCCCN[C@H](C)CCO fc9bdedfd734c26acec6b6121aa8cb84 [1,1,0,0,0,0|2,0,0]=4 6317 B9R0.5 CCCCN[C@H](C)COC 0bd1a16deaecd7846b5d6903e134942d [1,1,0,0,0,0|2,0,0]=4 6318 B9R0.5 CCCCOC(=S)CCC f1235a4363bf9e2174e43a15f0090624 [1,1,0,0,0,0|0,0,1]=3 6319 B9R0.5 CCCCOC(C)CC#N dc550f349a82116f85657a0d2002a899 [1,1,0,0,0,0|1,0,1]=4 6320 B9R0.5 CCCCOC(C)CCC 92f21439e18e4a0212372a80f0159639 [1,1,0,0,0,0|0,0,0]=2 6321 B9R0.5 CCCCOC(C)COC ba4e551fe4b685878d8e23a8545ffdea [1,1,0,0,0,0|1,0,0]=3 6322 B9R0.5 CCCCOC(C)CSC a8cdef8b35f4519dea5c9afc41578fcb [1,1,0,0,0,0|1,0,0]=3 6323 B9R0.5 CCCCO[C@@H](C)CC#N 15633171214313bdbf0d6219c223b8e1 [1,1,0,0,0,0|1,0,1]=4 6324 B9R0.5 CCCCO[C@@H](C)CCC 5b752837ff25253bec29faef567e59b2 [1,1,0,0,0,0|0,0,0]=2 6325 B9R0.5 CCCCO[C@@H](C)COC fdc2da5dba6e3d0a9e63de45ba95a113 [1,1,0,0,0,0|1,0,0]=3 6326 B9R0.5 CCCCO[C@H](C)CC#N 5b296b139d7187479322571820e88884 [1,1,0,0,0,0|1,0,1]=4 6327 B9R0.5 CCCCO[C@H](C)CCC 5384ca464c5bc70cb67ae7c0e1b63cd2 [1,1,0,0,0,0|0,0,0]=2 6328 B9R0.5 CCCCO[C@H](C)COC 15bbc144a56a666747dad75b1789a610 [1,1,0,0,0,0|1,0,0]=3 6329 B9R0.5 CCCN(C)CCCCF e9f7620b25cc1b11cc58a4773b3440d8 [1,1,0,0,0,0|2,0,0]=4 6330 B9R0.5 CCCN(C)CCCCO 3d32b13ab18b3ef9a88401c3421fd62f [1,1,0,0,0,0|2,0,0]=4 6331 B9R0.5 CCCN(C)CCCOC ad2eae02b2bb95cfc8387466db00f5d9 [1,1,0,0,0,0|2,0,0]=4 6332 B9R0.5 CCCN(C)CCCSC f37fcd165281d2dbd151714cacb81d9c [1,1,0,0,0,0|2,0,0]=4 6333 B9R0.5 CCCN(C)CCOCC 3efa632175c182f0136a621fef8d4de7 [1,1,0,0,0,0|2,0,0]=4 6334 B9R0.5 CCCN(C)CCSCC bd455319f75a94bc5c501e0018a20f8c [1,1,0,0,0,0|2,0,0]=4 6335 B9R0.5 CCCNCC(=O)CCC 3eec0edc7aa18c3c159d3b72b32db52a [1,1,0,0,0,0|1,0,1]=4 6336 B9R0.5 CCCNCC(C)CCC 54d28908b8e1ac09d7a9108b606f57e0 [1,1,0,0,0,0|1,0,0]=3 6337 B9R0.5 CCCNCC(C)CCO 47e0bbb51b8a79c96dd13c961ecc0dea [1,1,0,0,0,0|2,0,0]=4 6338 B9R0.5 CCCNCC(C)OCC 67b61dd333dbaac4f86976019539379e [1,1,0,0,0,0|2,0,0]=4 6339 B9R0.5 CCCNCC(O)CCC 3d957147f5d37c2bce44ac77f80f84a5 [1,1,0,0,0,0|1,0,0]=3 6340 B9R0.5 CCCNCC(O)COC 5f738e26a93bd5e6157dfb0a62e3a620 [1,1,0,0,0,0|2,0,0]=4 6341 B9R0.5 CCCNC[C@@H](O)CCO 0911566ceb0cc95fa86b387a531110c6 [1,1,0,0,0,0|2,0,0]=4 6342 B9R0.5 CCCNC[C@H](O)COC 6fd1326b6f8389bef3955d38e292fd6f [1,1,0,0,0,0|2,0,0]=4 6343 B9R0.5 CCCOCC(=O)CCC 74c3c5e5bd02e359466cf1cc878b65e0 [1,1,0,0,0,0|0,0,1]=3 6344 B9R0.5 CCCOCC(=O)COC 3d7dfb506e9c0757447f18e9df05797b [1,1,0,0,0,0|1,0,1]=4 6345 B9R0.5 CCCOCC(=O)NCC 76f4c6de17f53497034323fd5e6ef599 [1,1,0,0,0,0|1,0,1]=4 6346 B9R0.5 CCCOCC(=O)OCC 0b34840e3da522061b00dd308581ea5c [1,1,0,0,0,0|1,0,1]=4 6347 B9R0.5 CCCOCC(C)CCC 991f1db54286263be3e664fb478a931d [1,1,0,0,0,0|0,0,0]=2 6348 B9R0.5 CCCOCC(C)OCC a9309e87d325b6f2b1644b3d0636499f [1,1,0,0,0,0|1,0,0]=3 6349 B9R0.5 CCCOCC(C)OCF 3c217a0a0555b3f9e34d23a6269a5c80 [1,1,0,0,0,0|2,0,0]=4 6350 B9R0.5 CCCOC[C@@H](O)CCO 8f4ac1d9a59c7be3b1d0e4ed72d56dee [1,1,0,0,0,0|1,0,0]=3 6351 B9R0.5 CCC[C@@H](C)OCCC#N ffcf4d38d3fe60c8a23e82850f279549 [1,1,0,0,0,0|1,0,1]=4 6352 B9R0.5 CCC[C@@H](C)OCCC=O 3bd84e647c49cab84f4c3f78c7f376dd [1,1,0,0,0,0|1,0,1]=4 6353 B9R0.5 CCC[C@@H](C)OCCCF b78bfe38684aeafd56cb91d1a9a8a01b [1,1,0,0,0,0|1,0,0]=3 6354 B9R0.5 CCC[C@@H](C)OCCCS 24372301ed9c92789ef5ed79f335e943 [1,1,0,0,0,0|1,0,0]=3 6355 B9R0.5 CCC[C@@H](C)OCCOC 004b950db0a41fee3b95494fd30abe99 [1,1,0,0,0,0|1,0,0]=3 6356 B9R0.5 CCC[C@@H](C)OCCSC 43e6641b50af016cd80a01869d7ad946 [1,1,0,0,0,0|1,0,0]=3 6357 B9R0.5 CCC[C@H](C)NCCCF 47bc8e90817b8ea1ca2bd6e3b2feb1e7 [1,1,0,0,0,0|2,0,0]=4 6358 B9R0.5 CCC[C@H](C)NCCCO b55f9f9c5d2b5585fcebd32b6ae9676f [1,1,0,0,0,0|2,0,0]=4 6359 B9R0.5 CCC[C@H](C)NCCCS fc4b2888e6bd1af3fc673920439a6d19 [1,1,0,0,0,0|2,0,0]=4 6360 B9R0.5 CCC[C@H](C)NCCOC cf07519eec3d96fa560e863513eb20cb [1,1,0,0,0,0|2,0,0]=4 6361 B9R0.5 CCC[C@H](C)NCCSC b36f1d3a7cec566fb6c4090de96246ad [1,1,0,0,0,0|2,0,0]=4 6362 B9R0.5 CCC[C@H](C)NCOCC 4edd7e2bb5285d00694c164c618394c3 [1,1,0,0,0,0|2,0,0]=4 6363 B9R0.5 CCC[C@H](C)OCCC#N 16635591ace8d8f607160d1235639919 [1,1,0,0,0,0|1,0,1]=4 6364 B9R0.5 CCC[C@H](C)OCCC=O 5603414e98a7234f79a82c4a13052426 [1,1,0,0,0,0|1,0,1]=4 6365 B9R0.5 CCC[C@H](C)OCCCF 6c166b3b2e9a49f3214d1221aa05a7b9 [1,1,0,0,0,0|1,0,0]=3 6366 B9R0.5 CCC[C@H](C)OCCCS 185072ad1451feb386e475848ae0f455 [1,1,0,0,0,0|1,0,0]=3 6367 B9R0.5 CCC[C@H](C)OCCOC 35df3d9129885ef4f47846403feb0737 [1,1,0,0,0,0|1,0,0]=3 6368 B9R0.5 CCC[C@H](C)OCCSC 1b7c51f97c66b74c463df2639602e625 [1,1,0,0,0,0|1,0,0]=3 6369 B9R0.5 CCOC(C)COCCF dd36371eacdbc99004d10c271349acd4 [1,1,0,0,0,0|2,0,0]=4 6370 B9R0.5 CCOC(C)COCCS c7c2bcc8f3e03e9f47223219f81c8b1f [1,1,0,0,0,0|2,0,0]=4 6371 B9R0.5 CCOC(C)COCOC 85153869453556ba60238e00dabccc4f [1,1,0,0,0,0|2,0,0]=4 6372 B9R0.5 CCOC(C)COCSC 5bca448d87a75d6304bc9a4f11e6dc4e [1,1,0,0,0,0|2,0,0]=4 6373 B9R0.5 CCOCOC(C)CSC 5697b58cfdbfee491b4e7a18fbf4d3c5 [1,1,0,0,0,0|2,0,0]=4 6374 B9R0.5 COCC(C)COCCF b29d6ed60f5495ef170f17402f9000dd [1,1,0,0,0,0|2,0,0]=4 6375 B9R0.5 COCC(C)COCCS 6239a477e7e9e89b639a0e3278b752e7 [1,1,0,0,0,0|2,0,0]=4 6376 B9R0.5 COCC(C)COCSC a624a1210dd5d761c4100cbd9f874d6b [1,1,0,0,0,0|2,0,0]=4 6377 B9R0.5 COCC(C)OCCCF e6fd0b10e826fb28a4f531fd6c6ba9f1 [1,1,0,0,0,0|2,0,0]=4 6378 B9R0.5 COCC(C)OCCCS 73185628ec9dd62c4fa14cee817b9d94 [1,1,0,0,0,0|2,0,0]=4 6379 B9R0.5 COCC(C)OCCSC 4ad36be4022714614597cf6be1fb6b46 [1,1,0,0,0,0|2,0,0]=4 6380 B9R0.5 COCCOC(C)COC fe2edae2af9bc2e142dbf40b56328594 [1,1,0,0,0,0|2,0,0]=4 6381 B9R0.5 COCCOC(C)CSC 0afb629d62361f45c892180dca83993f [1,1,0,0,0,0|2,0,0]=4 6382 B9R0.5 COCCO[C@@H](C)COC 06c83328566ee10486ab47d3712ecb89 [1,1,0,0,0,0|2,0,0]=4 6383 B9R0.5 COCCO[C@H](C)COC 1c86040bd10202df1d1b76b8ed2a6cf6 [1,1,0,0,0,0|2,0,0]=4 6384 B9R0.5 COCOC[C@@H](O)CCO a2dad40c9cbd71080e97e15bfb2e8e5d [1,1,0,0,0,0|2,0,0]=4 6385 B9R0.5 COC[C@@H](C)OCCCF c0c8f976d435baccc6275957150aec1f [1,1,0,0,0,0|2,0,0]=4 6386 B9R0.5 COC[C@@H](C)OCCCS 00e650e63bd75eb58934db63dffb7af1 [1,1,0,0,0,0|2,0,0]=4 6387 B9R0.5 COC[C@@H](C)OCCSC ad806fa6343d16ccd8245838f952bdde [1,1,0,0,0,0|2,0,0]=4 6388 B9R0.5 COC[C@H](C)COCCF 82d2fe57a0edc1a171b72298fc1a0be0 [1,1,0,0,0,0|2,0,0]=4 6389 B9R0.5 COC[C@H](C)COCCS b37d093375624311a5eb40476846c70b [1,1,0,0,0,0|2,0,0]=4 6390 B9R0.5 COC[C@H](C)COCSC 8d47dd89387d74aef86dfb118a66ff1f [1,1,0,0,0,0|2,0,0]=4 6391 B9R0.5 COC[C@H](C)OCCCF daa96c53b08acea59daea3ed957c008f [1,1,0,0,0,0|2,0,0]=4 6392 B9R0.5 COC[C@H](C)OCCCS 405456ef23f43a6cabf810c9eb07939b [1,1,0,0,0,0|2,0,0]=4 6393 B9R0.5 COC[C@H](C)OCCSC 51d5b1a85d1808678167f1e587a20a9f [1,1,0,0,0,0|2,0,0]=4 6394 B9R0.5 CSCC(C)OCCCF 293589df101022d1a2fef2142c3b0324 [1,1,0,0,0,0|2,0,0]=4 6395 B9R0.5 CSCC(C)OCCCS 6d7e1790ab4a7c6769b4ca3e7bfc564f [1,1,0,0,0,0|2,0,0]=4 6396 B9R0.5 CSCCOC(C)CSC 0165efdac1c775668632d38f12459a3f [1,1,0,0,0,0|2,0,0]=4 6397 B9R0.5 OCC[C@H](O)COCCF 1e31821cd8d4f9df9025fdd5a971f09f [1,1,0,0,0,0|2,0,0]=4 6398 B9R0.5 OCC[C@H](O)COCCS db1e32e6d9ce32dfe98980d2f7add87f [1,1,0,0,0,0|2,0,0]=4 6399 B9R0.18 C#CCOC(C)CCCC a6bf8a2fbde7f7937d084a3ce3f21abb [1,1,0,0,0,0|0,0,2]=4 6400 B9R0.18 C#CCO[C@@H](C)CCCC d36d8187ba9fe99db945c7ac19c589a4 [1,1,0,0,0,0|0,0,2]=4 6401 B9R0.18 C#CCO[C@H](C)CCCC 4f5dddefc5ccbd74a979c1cd0f8b39d1 [1,1,0,0,0,0|0,0,2]=4 6402 B9R0.18 C=CCCC(C)OCCC 7912a5c88e116a41f225a0605d7ee9b9 [1,1,0,0,0,0|0,0,2]=4 6403 B9R0.18 C=CCC[C@@H](C)OCCC 99173135eb582288011948d677068cc8 [1,1,0,0,0,0|0,0,2]=4 6404 B9R0.18 C=CCOC(C)CCCC e05948ecaeff8c28551c390203faa54a [1,1,0,0,0,0|0,0,2]=4 6405 B9R0.18 C=CCO[C@@H](C)CCCC 785b4fd0e7d2a1185c3f37e0ca8f48b9 [1,1,0,0,0,0|0,0,2]=4 6406 B9R0.18 C=CCO[C@H](C)CCCC 8279474ab6fe084178c62f137ffa8b53 [1,1,0,0,0,0|0,0,2]=4 6407 B9R0.18 CCC#CC(C)OCCC c65da1261d7821d86f335a5db670d722 [1,1,0,0,0,0|0,0,2]=4 6408 B9R0.18 CCCCC(=O)NCCC b85686110cd08860fec3169645c4d3bc [1,1,0,0,0,0|1,0,1]=4 6409 B9R0.18 CCCCC(C)COCC 58365c9c9e662717f1bbd5e7f384f400 [1,1,0,0,0,0|1,0,0]=3 6410 B9R0.18 CCCCC(C)COCF 09ffbdc6b473e3828f87d6ed9dd457d6 [1,1,0,0,0,0|2,0,0]=4 6411 B9R0.18 CCCCC(C)NCCBr 9fba29ec3a5cf6539561bd90121ef824 [1,1,0,0,0,0|2,0,0]=4 6412 B9R0.18 CCCCC(C)NCCC 2d290a5f42eca09ba83265f4a79377f0 [1,1,0,0,0,0|1,0,0]=3 6413 B9R0.18 CCCCC(C)NCCF 1c4f1f21c3559bf066a315a24bd566a8 [1,1,0,0,0,0|2,0,0]=4 6414 B9R0.18 CCCCC(C)NCCI 19ab92f263f6cb9513f4b684d182bbcb [1,1,0,0,0,0|2,0,0]=4 6415 B9R0.18 CCCCC(C)NCCO ff47d9e2568b188c4923b45bf7987a40 [1,1,0,0,0,0|2,0,0]=4 6416 B9R0.18 CCCCC(C)NCCS 5311705e3cab165ea51d61f6a43c54bb [1,1,0,0,0,0|2,0,0]=4 6417 B9R0.18 CCCCC(C)NCOC 72ee118d96c93b5e2ac974d6392482cd [1,1,0,0,0,0|2,0,0]=4 6418 B9R0.18 CCCCC(C)NCSC bcfc6ecb0dcd8498089aa9706435be8a [1,1,0,0,0,0|2,0,0]=4 6419 B9R0.18 CCCCC(C)OCC#N a49c2f2b2ea1e149d9135336e3cfab81 [1,1,0,0,0,0|1,0,1]=4 6420 B9R0.18 CCCCC(C)OCC=O eda04f1a17d81cf08f2f32366dad6c90 [1,1,0,0,0,0|1,0,1]=4 6421 B9R0.18 CCCCC(C)OCCC 03a9a54da7ce8074115dc5963e2487d3 [1,1,0,0,0,0|0,0,0]=2 6422 B9R0.18 CCCCC(C)OCCF 3f799a7d24890a960e30edb9bb965fe5 [1,1,0,0,0,0|1,0,0]=3 6423 B9R0.18 CCCCC(C)OCCS 498240fa81efc48a364f781ba80a2136 [1,1,0,0,0,0|1,0,0]=3 6424 B9R0.18 CCCCC(C)OCOC 2647a8351841aefd7767410eec944f14 [1,1,0,0,0,0|1,0,0]=3 6425 B9R0.18 CCCCC(C)OCSC 675cf4242578276faef054101752fff5 [1,1,0,0,0,0|1,0,0]=3 6426 B9R0.18 CCCCC(O)CNCC 2232c12a60a38891a3dd994b7dd4662d [1,1,0,0,0,0|1,0,0]=3 6427 B9R0.18 CCCCC(O)CNCF 102643d672948c4c1a639cc48b3bd63d [1,1,0,0,0,0|2,0,0]=4 6428 B9R0.18 CCCCC(O)CNCO 2dafc47aa294ecb110a3a11ecf631ac8 [1,1,0,0,0,0|2,0,0]=4 6429 B9R0.18 CCCCN(C)CCCC 01d114e8ba11630440d2533ff68d32a7 [1,1,0,0,0,0|1,0,0]=3 6430 B9R0.18 CCCCN(C)CCCF 4be92356a0c3c7eadb0de19002552eba [1,1,0,0,0,0|2,0,0]=4 6431 B9R0.18 CCCCN(C)CCCO 57af9b9f3fe16b52eec79be093a09ab2 [1,1,0,0,0,0|2,0,0]=4 6432 B9R0.18 CCCCN(C)CCCS db78b2343bf1e747b24c591394ccae9c [1,1,0,0,0,0|2,0,0]=4 6433 B9R0.18 CCCCN(C)CCOC cb1c43014bdebf644141900952049354 [1,1,0,0,0,0|2,0,0]=4 6434 B9R0.18 CCCCN(C)CCSC 8e85c27a7aed72c035e30d1c5ed54c02 [1,1,0,0,0,0|2,0,0]=4 6435 B9R0.18 CCCCN(C)COCC d499f711adfc90243a4d04f7325fe0b5 [1,1,0,0,0,0|2,0,0]=4 6436 B9R0.18 CCCC[C@@H](C)NCCC 681a66d3f2656eddcb965975aeb1cfd0 [1,1,0,0,0,0|1,0,0]=3 6437 B9R0.18 CCCC[C@@H](C)NCCF 0e8602f3df83b4aa0e8e8f747cf182b2 [1,1,0,0,0,0|2,0,0]=4 6438 B9R0.18 CCCC[C@@H](C)NCCO 91f3234cc374ccfce736aaecc9b5736e [1,1,0,0,0,0|2,0,0]=4 6439 B9R0.18 CCCC[C@@H](C)NCCS 8b9dbc6c5ee5f29cbf78c5244c74622e [1,1,0,0,0,0|2,0,0]=4 6440 B9R0.18 CCCC[C@@H](C)NCOC f66d1627858146f3e552909b38c15c1f [1,1,0,0,0,0|2,0,0]=4 6441 B9R0.18 CCCC[C@@H](C)NCSC a789cbef4e3d9f77aa76a78bcc072748 [1,1,0,0,0,0|2,0,0]=4 6442 B9R0.18 CCCC[C@@H](C)OCC#N 3768ccd6166470de9b4699e30d70c1fa [1,1,0,0,0,0|1,0,1]=4 6443 B9R0.18 CCCC[C@@H](C)OCC=O 993915524a0a10ada5c5e7e66a19b57f [1,1,0,0,0,0|1,0,1]=4 6444 B9R0.18 CCCC[C@@H](C)OCCC 3919e2b8d370ec3c53a10b41264f7777 [1,1,0,0,0,0|0,0,0]=2 6445 B9R0.18 CCCC[C@@H](C)OCCF 9e6e7d202edc7f99d8130b72feff99d7 [1,1,0,0,0,0|1,0,0]=3 6446 B9R0.18 CCCC[C@@H](C)OCCS da0dc6ff36920e5da60fbd4660080dd8 [1,1,0,0,0,0|1,0,0]=3 6447 B9R0.18 CCCC[C@@H](C)OCSC 5f93169fe26264ec85ba889f3f1492c7 [1,1,0,0,0,0|1,0,0]=3 6448 B9R0.18 CCCC[C@H](C)OCC#N 8fb280eb0fa37a708edcd7a81ea14614 [1,1,0,0,0,0|1,0,1]=4 6449 B9R0.18 CCCC[C@H](C)OCC=O 64aea713a6e78b2a7c1dcccee369110a [1,1,0,0,0,0|1,0,1]=4 6450 B9R0.18 CCCC[C@H](C)OCCC 66356f9f032d16fe1fbfbbab77eafd41 [1,1,0,0,0,0|0,0,0]=2 6451 B9R0.18 CCCC[C@H](C)OCCF 452211e2967f01206ae8ab89031a98ce [1,1,0,0,0,0|1,0,0]=3 6452 B9R0.18 CCCC[C@H](C)OCCS e7099a214ea1736c512624854b8788ff [1,1,0,0,0,0|1,0,0]=3 6453 B9R0.18 CCCC[C@H](C)OCSC 6f25ee6b4cd5695fd2c5f7349596b758 [1,1,0,0,0,0|1,0,0]=3 6454 B9R0.18 CCCNC(C)CCCO e35a72c6f447647387525857cf3e6cf3 [1,1,0,0,0,0|2,0,0]=4 6455 B9R0.18 CCCN[C@H](C)CCCO 558264158e702c6f14ae3c30e7ce5099 [1,1,0,0,0,0|2,0,0]=4 6456 B9R0.18 CCCOC(C)CCC#N 0415ca1bc365e8df2ecd9c554f41b87d [1,1,0,0,0,0|1,0,1]=4 6457 B9R0.18 CCCOC(C)CCOC 747f19116197a3930af98e143e45dd61 [1,1,0,0,0,0|1,0,0]=3 6458 B9R0.18 CCCOC(C)CCSC 73142708a2860b7c297104e6b288642f [1,1,0,0,0,0|1,0,0]=3 6459 B9R0.18 CCCOC(C)COCC f8832bba2994252896d2ff4eb2c06c9a [1,1,0,0,0,0|1,0,0]=3 6460 B9R0.18 CCNCC(O)COCC 2508dfde29f683fc4d314ee848f5dfca [1,1,0,0,0,0|2,0,0]=4 6461 B9R0.18 CCNC[C@H](C)CCCO 59acf7998511cccd05de89c8199a3646 [1,1,0,0,0,0|2,0,0]=4 6462 B9R0.18 CCOCC(C)COCC 445e6d2aca05018d9465f1ebee3aaa14 [1,1,0,0,0,0|2,0,0]=4 6463 B9R0.18 CCOCC(C)OCCF 5b8202a7983c5f09f7e60064d0ed4cc6 [1,1,0,0,0,0|2,0,0]=4 6464 B9R0.18 CCOCC(C)OCCS ef3738b608064a32878a80603be3a3cd [1,1,0,0,0,0|2,0,0]=4 6465 B9R0.18 CCOCC(C)OCSC 82f469a10283b42403f3387d52c2f75c [1,1,0,0,0,0|2,0,0]=4 6466 B9R0.18 CCOC[C@@H](C)OCOC a36d29df078d7a145de27c4e27cb1f90 [1,1,0,0,0,0|2,0,0]=4 6467 B9R0.18 COCCC(C)OCCF 92ec950831da457c694f9d1d0cb58a07 [1,1,0,0,0,0|2,0,0]=4 6468 B9R0.18 COCCC(C)OCCS e30a1619da17e0b1f744eff2361d9b1b [1,1,0,0,0,0|2,0,0]=4 6469 B9R0.18 COCCC(C)OCOC c5e5f9f101b42a676d7afa9d75e235ce [1,1,0,0,0,0|2,0,0]=4 6470 B9R0.18 COCCC(C)OCSC 25e7d06a6da04cddb6f92a16d24cb358 [1,1,0,0,0,0|2,0,0]=4 6471 B9R0.18 CSCCC(C)OCCF 7958bc388daebbc4b4c6242d21ae3a47 [1,1,0,0,0,0|2,0,0]=4 6472 B9R0.18 CSCCC(C)OCCS 3c871f2597540a05c3984907234db18b [1,1,0,0,0,0|2,0,0]=4 6473 B9R0.18 CSCCC(C)OCSC ee2bc520039b1d67636371da812c9808 [1,1,0,0,0,0|2,0,0]=4 6474 B9R0.46 C#CC(C)OCCCCC 76b6ee9437b089f126e28f482afa7ff9 [1,1,0,0,0,0|0,0,2]=4 6475 B9R0.46 C#CCCCOC(C)CC 1e639a2095fa15178ae372d9451084a1 [1,1,0,0,0,0|0,0,2]=4 6476 B9R0.46 C#CCCCO[C@@H](C)CC 90825cc991749be8b06d0183f591302a [1,1,0,0,0,0|0,0,2]=4 6477 B9R0.46 C#CCCCO[C@H](C)CC b12d2316f339eccf00f388243ad5d3a8 [1,1,0,0,0,0|0,0,2]=4 6478 B9R0.46 C#CCCOCC(C)CC 9c961bd41f416fb9867875ce208aff79 [1,1,0,0,0,0|0,0,2]=4 6479 B9R0.46 C#CCCOC[C@@H](C)CC a40b618327c24f2667b5483ac78c9721 [1,1,0,0,0,0|0,0,2]=4 6480 B9R0.46 C#CCCOC[C@H](C)CC 7413194d48494e4c5978541ecb81a3c6 [1,1,0,0,0,0|0,0,2]=4 6481 B9R0.46 C#CCOCCC(C)CC cad05327d60217f2a06b57e98d3204c5 [1,1,0,0,0,0|0,0,2]=4 6482 B9R0.46 C#CCOCCC(S)CC 49220c8da0d6a11155280658e9ee4ae3 [1,1,0,0,0,0|0,0,2]=4 6483 B9R0.46 C#CCOCC[C@@H](C)CC af76e82dcdf2013f9ccb2a7578037173 [1,1,0,0,0,0|0,0,2]=4 6484 B9R0.46 C#C[C@@H](C)OCCCCC 3c34864980631567cd4915bec8682212 [1,1,0,0,0,0|0,0,2]=4 6485 B9R0.46 C#C[C@H](C)OCCCCC 91d302487070c0e6a0a84637d96b6210 [1,1,0,0,0,0|0,0,2]=4 6486 B9R0.46 C/C=C/CCOC(C)CC 24e3cbba50c85cd72892fd069a4e6975 [1,1,0,0,0,0|0,0,2]=4 6487 B9R0.46 C/C=C/COCC(C)CC 7983f125636e3f3134027fe3de3217cf [1,1,0,0,0,0|0,0,2]=4 6488 B9R0.46 C/C=C/COC[C@@H](C)CC a7d45b26084424e278986d5665db30d0 [1,1,0,0,0,0|0,0,2]=4 6489 B9R0.46 C/C=C/COC[C@H](C)CC f3e6ac5120a70460a4712060145a9b17 [1,1,0,0,0,0|0,0,2]=4 6490 B9R0.46 C/C=C\COCC(C)CC a58cfc486dfb3a551da7b3d40002a94b [1,1,0,0,0,0|0,0,2]=4 6491 B9R0.46 C/C=C\COC[C@@H](C)CC 8863250b2c78da53321182b09112c661 [1,1,0,0,0,0|0,0,2]=4 6492 B9R0.46 C/C=C\COC[C@H](C)CC 8e175f6840b70f1066338d3f6915135f [1,1,0,0,0,0|0,0,2]=4 6493 B9R0.46 C=C(CC)CNCCCC 6b21372b0fb998f0d545c38b79091fc4 [1,1,0,0,0,0|1,0,1]=4 6494 B9R0.46 C=C(CC)COCCCC f20ffa48a6f681e217485ee3a2e54a80 [1,1,0,0,0,0|0,0,1]=3 6495 B9R0.46 C=C(CC)COCCCF 606ee8b87c49f2e16cdc40d0e48eedf5 [1,1,0,0,0,0|1,0,1]=4 6496 B9R0.46 C=C(CC)COCCCS 3d924064c5c8408c214bf804208192ce [1,1,0,0,0,0|1,0,1]=4 6497 B9R0.46 C=C(CC)COCCOC 765ed6b2fd081ea849da95119a8147ed [1,1,0,0,0,0|1,0,1]=4 6498 B9R0.46 C=C(CC)COCCSC a62d5e6a47c069175d940e7a0e3bdd8c [1,1,0,0,0,0|1,0,1]=4 6499 B9R0.46 C=C(COCCCC)OC 23a23683e3ff82dc0ce66f5c7735aae5 [1,1,0,0,0,0|1,0,1]=4 6500 B9R0.46 C=CC(C)COCCCC 608053865d7cfd6e5d03832e4e889079 [1,1,0,0,0,0|0,0,2]=4 6501 B9R0.46 C=CC(C)OCCCCC 1e28f1d3c351070f3d11fb5c824849ee [1,1,0,0,0,0|0,0,2]=4 6502 B9R0.46 C=CCCCOC(C)CC 37e8ea4b03808467d80b9e9cd385bea1 [1,1,0,0,0,0|0,0,2]=4 6503 B9R0.46 C=CCCCO[C@@H](C)CC abbd602e7f93f4b12023e906c8ad0004 [1,1,0,0,0,0|0,0,2]=4 6504 B9R0.46 C=CCCCO[C@H](C)CC 007e4760c2d7a5023e666e085fdc2f12 [1,1,0,0,0,0|0,0,2]=4 6505 B9R0.46 C=CCCOCC(C)CC 728ba19dbb1d3147b7b292d82ccd3920 [1,1,0,0,0,0|0,0,2]=4 6506 B9R0.46 C=CCCOC[C@@H](C)CC 5e502b4f62f3acf0ba191253c86c3c22 [1,1,0,0,0,0|0,0,2]=4 6507 B9R0.46 C=CCCOC[C@H](C)CC 0fa4e329561f6df162ea8c2a70c22a75 [1,1,0,0,0,0|0,0,2]=4 6508 B9R0.46 C=CCOCCC(C)CC 5e8e7402f2d49a682e79b096ff9fa744 [1,1,0,0,0,0|0,0,2]=4 6509 B9R0.46 C=CCOCCC(S)CC 3aaf6c4216be2cdc4f1bfe59ac8192de [1,1,0,0,0,0|0,0,2]=4 6510 B9R0.46 C=CCOCC[C@@H](C)CC b8130feedf60b4d66e54966082720777 [1,1,0,0,0,0|0,0,2]=4 6511 B9R0.46 C=C[C@H](C)OCCCCC d1676930d2cd78672945fe179ff4da42 [1,1,0,0,0,0|0,0,2]=4 6512 B9R0.46 CC#CCCOC(C)CC b3bc1363c381cbce251aede138b1a4b1 [1,1,0,0,0,0|0,0,2]=4 6513 B9R0.46 CC#CCOCC(C)CC b1c1a269c2e050241028c9ad016a1189 [1,1,0,0,0,0|0,0,2]=4 6514 B9R0.46 CC#CCOC[C@@H](C)CC f10d1e203e8af6912e4041c4b104ce88 [1,1,0,0,0,0|0,0,2]=4 6515 B9R0.46 CC#CCOC[C@H](C)CC 4381e9de94a512a820ff62b3b3425686 [1,1,0,0,0,0|0,0,2]=4 6516 B9R0.46 CC(CF)OCCCCF 2aeffabfc3ba8a5630090442e1dad8fc [1,1,0,0,0,0|2,0,0]=4 6517 B9R0.46 CC(CS)OCCCCF e2780d4cec9e9a5668a0b25720ff04ac [1,1,0,0,0,0|2,0,0]=4 6518 B9R0.46 CC/C=C/COC(C)CC bb53281b9974a90f85650cbbacb4a7df [1,1,0,0,0,0|0,0,2]=4 6519 B9R0.46 CC/C=C/CO[C@@H](C)CC e5d8c30d9c656c3e93e8de7b95835dd5 [1,1,0,0,0,0|0,0,2]=4 6520 B9R0.46 CC/C=C/CO[C@H](C)CC 121e3c512c899a11d31a58b4f890d9b7 [1,1,0,0,0,0|0,0,2]=4 6521 B9R0.46 CC/C=C\COC(C)CC b6ae26b919cfe256a079292116543e0c [1,1,0,0,0,0|0,0,2]=4 6522 B9R0.46 CC=CCOCC(C)CC 54a8e7b67155f645d507d976db8ce0d7 [1,1,0,0,0,0|0,0,2]=4 6523 B9R0.46 CC=CCOC[C@@H](C)CC 1b785dc16224333719989c0003bbb241 [1,1,0,0,0,0|0,0,2]=4 6524 B9R0.46 CC=CCOC[C@H](C)CC 07d92da8bda03e61cbfea2e10c746589 [1,1,0,0,0,0|0,0,2]=4 6525 B9R0.46 CCC#CCOC(C)CC 509cecc81bcd6d47c0426efff8b37e66 [1,1,0,0,0,0|0,0,2]=4 6526 B9R0.46 CCC#CCO[C@@H](C)CC 488e5823adefad80408c2168268a90bf [1,1,0,0,0,0|0,0,2]=4 6527 B9R0.46 CCC#CCO[C@H](C)CC 3d20d7cd63c3d4ccff6be2308994279c [1,1,0,0,0,0|0,0,2]=4 6528 B9R0.46 CCC(=O)COCCCF 34ba52aa0b28bc859119658e634d4251 [1,1,0,0,0,0|1,0,1]=4 6529 B9R0.46 CCC(=O)COCCCS 2f3d517fdc40535b8ad4d871be51ef0c [1,1,0,0,0,0|1,0,1]=4 6530 B9R0.46 CCC(=O)COCCOC be359e566ead25dabb2a19812354325c [1,1,0,0,0,0|1,0,1]=4 6531 B9R0.46 CCC(=O)COCCSC e6f60d5f418aa82fd04b87e25f46a06e [1,1,0,0,0,0|1,0,1]=4 6532 B9R0.46 CCC(C)CCCOCF 25eeed0d978fad0afbb1541ecdc0db9d [1,1,0,0,0,0|2,0,0]=4 6533 B9R0.46 CCC(C)CCNCCBr 3fa0289513dc830a578a5c76efee3816 [1,1,0,0,0,0|2,0,0]=4 6534 B9R0.46 CCC(C)CCNCCF 44bc075a9ced98bf1dc392bb11ba0c64 [1,1,0,0,0,0|2,0,0]=4 6535 B9R0.46 CCC(C)CCNCCI 36139ded0ec420d40865372a22a68637 [1,1,0,0,0,0|2,0,0]=4 6536 B9R0.46 CCC(C)CCNCCO a127043b6f5458f1c87d32ad0b8a32cb [1,1,0,0,0,0|2,0,0]=4 6537 B9R0.46 CCC(C)CCNCCS 3b8a0afebe56ab4073247bdfd34e70f3 [1,1,0,0,0,0|2,0,0]=4 6538 B9R0.46 CCC(C)CCNCOC 43e02a9a9b15d85ced7cf9a326f5c031 [1,1,0,0,0,0|2,0,0]=4 6539 B9R0.46 CCC(C)CCNCSC 74dfafc450b7b3f02df11224414d08c1 [1,1,0,0,0,0|2,0,0]=4 6540 B9R0.46 CCC(C)CCOCC#N d553906db90f9da7cb82ead3047dc770 [1,1,0,0,0,0|1,0,1]=4 6541 B9R0.46 CCC(C)CCOCC=O ffa804ef82eba2baed5b236b8174cc5b [1,1,0,0,0,0|1,0,1]=4 6542 B9R0.46 CCC(C)CCOCCF bb91250b47983ac5c8faeb4bd1f1e3ef [1,1,0,0,0,0|1,0,0]=3 6543 B9R0.46 CCC(C)CCOCCS 256a4c6982ce1ecb5b64bea232e14074 [1,1,0,0,0,0|1,0,0]=3 6544 B9R0.46 CCC(C)CCOCOC aa6a8b2b97604e0740ffe50db913a9e2 [1,1,0,0,0,0|1,0,0]=3 6545 B9R0.46 CCC(C)CCOCSC 8520390c6afd5d53750aef79b528fdc9 [1,1,0,0,0,0|1,0,0]=3 6546 B9R0.46 CCC(C)CNCCCCl 75425990ec0e8b22be6b3b605e8d04f4 [1,1,0,0,0,0|2,0,0]=4 6547 B9R0.46 CCC(C)CNCCCF 8906761c09fde8795be6ded9394960a0 [1,1,0,0,0,0|2,0,0]=4 6548 B9R0.46 CCC(C)CNCCCO b7f672fe5bfa18562ef1c8fe33c0250f [1,1,0,0,0,0|2,0,0]=4 6549 B9R0.46 CCC(C)CNCCCS 482b68027bb30f5b45d9f9e263a95a89 [1,1,0,0,0,0|2,0,0]=4 6550 B9R0.46 CCC(C)CNCCOC 478070c966f6ca0fa6a330d9497f1aea [1,1,0,0,0,0|2,0,0]=4 6551 B9R0.46 CCC(C)CNCCSC 8df4c8f9b88bfde3efdc9fcd6007e2ec [1,1,0,0,0,0|2,0,0]=4 6552 B9R0.46 CCC(C)COCCC#N 1c2930c8b834a5d498f46a7ffe72f0ca [1,1,0,0,0,0|1,0,1]=4 6553 B9R0.46 CCC(C)COCCC=O 2d73e4df98095e84f26e8630b8c1ab90 [1,1,0,0,0,0|1,0,1]=4 6554 B9R0.46 CCC(C)COCCCF 5693fc06aa1f321e5183ecfbb48b9cf9 [1,1,0,0,0,0|1,0,0]=3 6555 B9R0.46 CCC(C)COCCCS 4fbc98c3ff3f83d254c02904cee3eb67 [1,1,0,0,0,0|1,0,0]=3 6556 B9R0.46 CCC(C)COCCOC d19cc26c89aed9265bb120353ab66312 [1,1,0,0,0,0|1,0,0]=3 6557 B9R0.46 CCC(C)COCCSC c1bd55f3604286bd60102a6081297ff9 [1,1,0,0,0,0|1,0,0]=3 6558 B9R0.46 CCC(C)NCCCCCl 2cc441578749d69ed84ea91cfec37977 [1,1,0,0,0,0|2,0,0]=4 6559 B9R0.46 CCC(C)NCCCCF 82a8dd0b95c0f6f3f590ec79124b3a6a [1,1,0,0,0,0|2,0,0]=4 6560 B9R0.46 CCC(C)NCCCCO 6bd45ecd51d75108562e5caa61fe948c [1,1,0,0,0,0|2,0,0]=4 6561 B9R0.46 CCC(C)NCCCCS 4327177f2cba500184fb0fe43254c48b [1,1,0,0,0,0|2,0,0]=4 6562 B9R0.46 CCC(C)NCCCOC 171065770b4814346bd036dea3fd8b14 [1,1,0,0,0,0|2,0,0]=4 6563 B9R0.46 CCC(C)NCCCSC dc4ff370458b57fe04d9ed21704d16e4 [1,1,0,0,0,0|2,0,0]=4 6564 B9R0.46 CCC(C)OCCCC#N 7a8d167927353fb5ceeac53135d4c10e [1,1,0,0,0,0|1,0,1]=4 6565 B9R0.46 CCC(C)OCCCC=O 490e4bd62c6c0bc054893d7857d462c9 [1,1,0,0,0,0|1,0,1]=4 6566 B9R0.46 CCC(C)OCCCCF fd29067324c6c4e2d213686ebe1db414 [1,1,0,0,0,0|1,0,0]=3 6567 B9R0.46 CCC(C)OCCCCS 5299718601b454bd878e8e69ddcf6483 [1,1,0,0,0,0|1,0,0]=3 6568 B9R0.46 CCC(C)OCCCOC 920d543c516b5c83ae3650a9164e07ca [1,1,0,0,0,0|1,0,0]=3 6569 B9R0.46 CCC(C)OCCCSC 58564c22142bd233df8364803ae04186 [1,1,0,0,0,0|1,0,0]=3 6570 B9R0.46 CCC(O)CNCCCCl 4a44f635f2b26fe41010249f73195f04 [1,1,0,0,0,0|2,0,0]=4 6571 B9R0.46 CCC(O)CNCCCF d23db8212a10ffee3def0f30a90dee7b [1,1,0,0,0,0|2,0,0]=4 6572 B9R0.46 CCC(O)CNCCCO 93bcd9fc899e572447921b7df9cd4341 [1,1,0,0,0,0|2,0,0]=4 6573 B9R0.46 CCC(O)CNCCCS bbd28bf27ab28c61bca4c44e2f626d1c [1,1,0,0,0,0|2,0,0]=4 6574 B9R0.46 CCC(O)CNCCOC 85b160473aaff0894fe544a8f320867a [1,1,0,0,0,0|2,0,0]=4 6575 B9R0.46 CCC(O)CNCCSC 931a319ad0fd7de5ea016a65cae41c39 [1,1,0,0,0,0|2,0,0]=4 6576 B9R0.46 CCC(S)CCOCC#N a7321ceb38145451cbd46f24ba542d7c [1,1,0,0,0,0|1,0,1]=4 6577 B9R0.46 CCC(S)CCOCC=O ec52efc3fa4920f55eb496eb0701f7dc [1,1,0,0,0,0|1,0,1]=4 6578 B9R0.46 CCC(S)CCOCCF 9da41ee5d7d9da1c2cc585e3018b1673 [1,1,0,0,0,0|1,0,0]=3 6579 B9R0.46 CCC(S)CCOCCS 919175d3529db808b91312a5ec683f5b [1,1,0,0,0,0|1,0,0]=3 6580 B9R0.46 CCC(S)CCOCOC a81f048ffdc120d9cf827a2fdad5d20c [1,1,0,0,0,0|1,0,0]=3 6581 B9R0.46 CCC(S)CCOCSC 26442e30c1e431b0f5836f43e706414a [1,1,0,0,0,0|1,0,0]=3 6582 B9R0.46 CCCCCCN(C)CC 8a417919e488fe1b88a927a0dc8a6acd [1,1,0,0,0,0|1,0,0]=3 6583 B9R0.46 CCCCCCN(C)CF 249d3f159bb53c49920e10418121e79c [1,1,0,0,0,0|2,0,0]=4 6584 B9R0.46 CCCCCCN(C)CO 8a5f907b8eb3248d8092765efbdfb7c6 [1,1,0,0,0,0|2,0,0]=4 6585 B9R0.46 CCCCCNC(=O)CC 849a8920618781fdb82a0336e223971a [1,1,0,0,0,0|1,0,1]=4 6586 B9R0.46 CCCCCNC(C)CC d4dac8fa5e124377339bde23f68436c7 [1,1,0,0,0,0|1,0,0]=3 6587 B9R0.46 CCCCCNC(C)CO 130d859b8c3ec8415f617cafd7916a21 [1,1,0,0,0,0|2,0,0]=4 6588 B9R0.46 CCCCCN[C@@H](C)CC b6b81653be3f1ec33ebabbfa6682ffa7 [1,1,0,0,0,0|1,0,0]=3 6589 B9R0.46 CCCCCN[C@@H](C)CO 20ec0daf9e04887c5212a5e8c7959dfd [1,1,0,0,0,0|2,0,0]=4 6590 B9R0.46 CCCCCN[C@H](C)CC 1a59220ace4fed85e800ac900c1bb57f [1,1,0,0,0,0|1,0,0]=3 6591 B9R0.46 CCCCCN[C@H](C)CO febfc95055d8ed2fb693276cce938384 [1,1,0,0,0,0|2,0,0]=4 6592 B9R0.46 CCCCCOC(C)C#N 297e5ef3da6d594c2f51900f89e87e4c [1,1,0,0,0,0|1,0,1]=4 6593 B9R0.46 CCCCCOC(C)C=O e16af054a8530937c558322756befd3b [1,1,0,0,0,0|1,0,1]=4 6594 B9R0.46 CCCCCOC(C)CC fc1eb2247bb34f4c011b4f7d0e4c7945 [1,1,0,0,0,0|0,0,0]=2 6595 B9R0.46 CCCCCOC(C)CF 5b19438ac5bb1414fffaec033cb2861e [1,1,0,0,0,0|1,0,0]=3 6596 B9R0.46 CCCCCOC(C)CS 0134a0372d50041ffbead69c16000b00 [1,1,0,0,0,0|1,0,0]=3 6597 B9R0.46 CCCCCO[C@@H](C)CC c4a51e5bded663ac6b4a49e50238da1d [1,1,0,0,0,0|0,0,0]=2 6598 B9R0.46 CCCCCO[C@H](C)C=O a119465539c723056c69d3cef66a5d39 [1,1,0,0,0,0|1,0,1]=4 6599 B9R0.46 CCCCCO[C@H](C)CC 114a1823e1afabcf8603ed51c782914a [1,1,0,0,0,0|0,0,0]=2 6600 B9R0.46 CCCCCO[C@H](C)CS d6b0512832a6a434c166a9513b4ccb30 [1,1,0,0,0,0|1,0,0]=3 6601 B9R0.46 CCCCNCC(=O)CC b2e0d743393b788f6d80972415374097 [1,1,0,0,0,0|1,0,1]=4 6602 B9R0.46 CCCCNCC(Br)CBr 7501bfbad692c85a16bcee024e0821af [1,1,0,0,0,0|2,0,0]=4 6603 B9R0.46 CCCCNCC(C)CC fe16d6610e1ccb6be0e04021325ee876 [1,1,0,0,0,0|1,0,0]=3 6604 B9R0.46 CCCCNCC(C)CO 6da21364419b0c7c5b26455490267f1e [1,1,0,0,0,0|2,0,0]=4 6605 B9R0.46 CCCCNCC(C)OC c5b881b4571cefb9b8cc6509498fea93 [1,1,0,0,0,0|2,0,0]=4 6606 B9R0.46 CCCCNCC(F)CO ef01462d286e8a24585409774347d156 [1,1,0,0,0,0|2,0,0]=4 6607 B9R0.46 CCCCNCC(O)CC 46cb5b31215196bed41fac14cefadf78 [1,1,0,0,0,0|1,0,0]=3 6608 B9R0.46 CCCCNCC(O)CF a25c46def5aaeed0650a4676c74b8608 [1,1,0,0,0,0|2,0,0]=4 6609 B9R0.46 CCCCNCC(O)CO ac983613601cebc54cf5c91f0789f011 [1,1,0,0,0,0|2,0,0]=4 6610 B9R0.46 CCCCNC[C@@H](C)CC 28a03a36bf9908817a39b92ae085509a [1,1,0,0,0,0|1,0,0]=3 6611 B9R0.46 CCCCNC[C@@H](C)CO eb284f538845d26c0292210363d3a9ae [1,1,0,0,0,0|2,0,0]=4 6612 B9R0.46 CCCCNC[C@@H](C)OC 66a1d2fe69a7e3386efa0608767b75fb [1,1,0,0,0,0|2,0,0]=4 6613 B9R0.46 CCCCNC[C@@H](F)CO 08389c84f685c72abadef416a081d169 [1,1,0,0,0,0|2,0,0]=4 6614 B9R0.46 CCCCNC[C@@H](O)CO c855f4138f8af3c3918926fa7f309a61 [1,1,0,0,0,0|2,0,0]=4 6615 B9R0.46 CCCCNC[C@H](C)CC 5ae2d51b55b594c4663da0a7bc1219b4 [1,1,0,0,0,0|1,0,0]=3 6616 B9R0.46 CCCCNC[C@H](C)CO a46d55579d54fa2f3df45167dc865bff [1,1,0,0,0,0|2,0,0]=4 6617 B9R0.46 CCCCNC[C@H](C)OC 5293295331574cdeed3cec082b1404a4 [1,1,0,0,0,0|2,0,0]=4 6618 B9R0.46 CCCCNC[C@H](F)CO 8825965ce4d1c5b6f67f1eed1e05bf29 [1,1,0,0,0,0|2,0,0]=4 6619 B9R0.46 CCCCNC[C@H](O)CC f734ed05f673e984a2cecc562494193f [1,1,0,0,0,0|1,0,0]=3 6620 B9R0.46 CCCCNC[C@H](O)CO 19bfe4bb7f3792b152156a3887152ef5 [1,1,0,0,0,0|2,0,0]=4 6621 B9R0.46 CCCCOCC(=O)CC 389316566cd1a1fc2f85978e15274242 [1,1,0,0,0,0|0,0,1]=3 6622 B9R0.46 CCCCOCC(=O)NC cf030b05ed543e346a9154767a28bae4 [1,1,0,0,0,0|1,0,1]=4 6623 B9R0.46 CCCCOCC(=O)OC 3a258f28efc16859d84bb30eb200cc4d [1,1,0,0,0,0|1,0,1]=4 6624 B9R0.46 CCCCOCC(Br)CBr 47f9ee022b716b698a561875aa888071 [1,1,0,0,0,0|1,0,0]=3 6625 B9R0.46 CCCCOCC(C)C#N 06d9b36ac76424fdd3e7af8f18c29b0f [1,1,0,0,0,0|1,0,1]=4 6626 B9R0.46 CCCCOCC(C)CC 13ec2db481f75897427100192f392a55 [1,1,0,0,0,0|0,0,0]=2 6627 B9R0.46 CCCCOCC(C)OC 2ade9210dead56cd2b7c7e57c8d873e0 [1,1,0,0,0,0|1,0,0]=3 6628 B9R0.46 CCCCOCC(Cl)CCl 7ce0ebf6ab1cc141bc213cb71d46c022 [1,1,0,0,0,0|1,0,0]=3 6629 B9R0.46 CCCCOCC(O)CO 1717e932150717b75d8ad0553e2508d5 [1,1,0,0,0,0|1,0,0]=3 6630 B9R0.46 CCCCOCC(S)CS 61a90a75aa9f3f44748361e111510263 [1,1,0,0,0,0|1,0,0]=3 6631 B9R0.46 CCCCOCN(C)CC 8948872d1cc0127583aca296661107e6 [1,1,0,0,0,0|1,0,0]=3 6632 B9R0.46 CCCCOC[C@@H](C)CC 292951184706705a2f287faa32f83807 [1,1,0,0,0,0|0,0,0]=2 6633 B9R0.46 CCCCOC[C@@H](C)OC 1674d41bc8c308e9ec2e3c7b89845743 [1,1,0,0,0,0|1,0,0]=3 6634 B9R0.46 CCCCOC[C@@H](O)CO 83f3d645ad47a54afee07c67e38801d8 [1,1,0,0,0,0|1,0,0]=3 6635 B9R0.46 CCCCOC[C@H](C)CC 0a6162ca309a331d6895567d00642c6e [1,1,0,0,0,0|0,0,0]=2 6636 B9R0.46 CCCCOC[C@H](C)OC c4be72208ecd8f9f13f80938de346997 [1,1,0,0,0,0|1,0,0]=3 6637 B9R0.46 CCCCOC[C@H](O)CO 5961558aa91f8ff37bdd6ab712320a6b [1,1,0,0,0,0|1,0,0]=3 6638 B9R0.46 CCCNCCC(C)CC 4813008a0c1b241c6f502130c23c9788 [1,1,0,0,0,0|1,0,0]=3 6639 B9R0.46 CCCNCCC(C)CO 118cba905597f4a9d0e6d27edffe4f3f [1,1,0,0,0,0|2,0,0]=4 6640 B9R0.46 CCCNCCC(O)CO 7b15bb4f22a27a1184f0c23b9426da4d [1,1,0,0,0,0|2,0,0]=4 6641 B9R0.46 CCCNCCS(=O)CC 35a572faf6496587285f91527b039120 [1,1,0,0,0,0|2,0,0]=4 6642 B9R0.46 CCCNCC[C@@H](C)CO 9de671ae77164dcceeedf8d4084dec20 [1,1,0,0,0,0|2,0,0]=4 6643 B9R0.46 CCCNCOC(=O)CC 5135722cfe6a14d8256a85f8111be929 [1,1,0,0,0,0|1,0,1]=4 6644 B9R0.46 CCCOCCC(=O)NC 08e49cdbe7f26a9ed53ba2c0be49d187 [1,1,0,0,0,0|1,0,1]=4 6645 B9R0.46 CCCOCCC(=O)OC 630bff407b7c5972cdb6361bdad86547 [1,1,0,0,0,0|1,0,1]=4 6646 B9R0.46 CCCOCCC(C)CC d32230cb97bcbaa35141057e4fc42013 [1,1,0,0,0,0|0,0,0]=2 6647 B9R0.46 CCCOCCC(C)OC cd29870169cadf82f6bbe85ce9f7b54f [1,1,0,0,0,0|1,0,0]=3 6648 B9R0.46 CCCOCCC(S)CC 52c7b7912eb2ffdf0f6b5f6ebf04c230 [1,1,0,0,0,0|0,0,0]=2 6649 B9R0.46 CCCOCCN(C)CC ef40f415dbe0e1aad15447a1a2d09d21 [1,1,0,0,0,0|1,0,0]=3 6650 B9R0.46 CCCOCCS(=O)CC df836a83d60347b60939b06320da5af3 [1,1,0,0,0,0|1,0,0]=3 6651 B9R0.46 CCCOCC[C@@H](C)CC 5c7be05a753d139dee133c45d7518c1b [1,1,0,0,0,0|0,0,0]=2 6652 B9R0.46 CCCOCOC(=O)CC fc12ca63d515d86d2f674d2f74a06865 [1,1,0,0,0,0|1,0,1]=4 6653 B9R0.46 CCN(C)CCCCCF 122017fcd60e618f8f7a933e646cec0d [1,1,0,0,0,0|2,0,0]=4 6654 B9R0.46 CCN(C)CCCCCO cc23bd2adbd47cdaf3363f05e9df12a8 [1,1,0,0,0,0|2,0,0]=4 6655 B9R0.46 CCN(C)CCCCOC e50312ca007da4f102260e37986049e9 [1,1,0,0,0,0|2,0,0]=4 6656 B9R0.46 CCN(C)CCOCCO fa0eb0823f5c543f387a6551e4542a79 [1,1,0,0,0,0|2,0,0]=4 6657 B9R0.46 CCN(C)CCOCOC 913cee069eca196b3ec3223cf6915974 [1,1,0,0,0,0|2,0,0]=4 6658 B9R0.46 CCN(C)COCCOC 70041b6da9879dbd5ae39d56a1d099d1 [1,1,0,0,0,0|2,0,0]=4 6659 B9R0.46 CCNCCCC(C)CO c290f8dab7c2bada2b0324bd81530e9f [1,1,0,0,0,0|2,0,0]=4 6660 B9R0.46 CCNCCCN(C)CC bece4e408d08d9ca5bc3d5baf2af86e4 [1,1,0,0,0,0|2,0,0]=4 6661 B9R0.46 CCOCCCC(C)CC 0ea2c075acda26928eb230e2cbdf0ebc [1,1,0,0,0,0|1,0,0]=3 6662 B9R0.46 CCOCCCN(C)CC 20a97bf434ba437d3cce86ad704e5029 [1,1,0,0,0,0|2,0,0]=4 6663 B9R0.46 CCOCCC[C@@H](C)CC d4ed2edda0b29eae54d6246c567e945f [1,1,0,0,0,0|1,0,0]=3 6664 B9R0.46 CCOCCNC(C)CC 604b76b7b427e1d2e148702657fe9162 [1,1,0,0,0,0|2,0,0]=4 6665 B9R0.46 CCOCCN[C@@H](C)CC 30a4d32f7e15cd6beded3966ea0f760a [1,1,0,0,0,0|2,0,0]=4 6666 B9R0.46 CCOCCN[C@H](C)CC 7e17a54331a1ce42b799e5b41556e837 [1,1,0,0,0,0|2,0,0]=4 6667 B9R0.46 CCOCCOC(=O)CC cbe8829b561f0b4f11227dbb7fca44b4 [1,1,0,0,0,0|1,0,1]=4 6668 B9R0.46 CCOCCOC(C)CC 8ffead10c60181691df31d8ade4e4ae1 [1,1,0,0,0,0|1,0,0]=3 6669 B9R0.46 CCOCCOC(C)CF a64e9604f533ebcad7dae79d673e2b6f [1,1,0,0,0,0|2,0,0]=4 6670 B9R0.46 CCOCCOC(C)CS c837c7e2db1ba3b4ac608360ec32bbdc [1,1,0,0,0,0|2,0,0]=4 6671 B9R0.46 CCOCCO[C@@H](C)CC 3b26474e70fe44798dc53e7bf758b859 [1,1,0,0,0,0|1,0,0]=3 6672 B9R0.46 CCOCCO[C@H](C)CC 06cae5bafa67b8d9d3e512875d68b6c2 [1,1,0,0,0,0|1,0,0]=3 6673 B9R0.46 CCOCCO[C@H](C)CS fee8c4a88bebef68deb40257b1338dd3 [1,1,0,0,0,0|2,0,0]=4 6674 B9R0.46 CCOCNCC(C)CC fa31187a6e01df7b2f68ded91825eb8e [1,1,0,0,0,0|2,0,0]=4 6675 B9R0.46 CCOCNCC(O)CC 885d446894bffe4baab4eadb2bcd46f8 [1,1,0,0,0,0|2,0,0]=4 6676 B9R0.46 CCOCNC[C@@H](C)CC f01952715de4c9ea6bd7527eb102b491 [1,1,0,0,0,0|2,0,0]=4 6677 B9R0.46 CCOCNC[C@H](O)CC 970c9bd31019ccc65386657ef5597e21 [1,1,0,0,0,0|2,0,0]=4 6678 B9R0.46 CCOCOCC(=O)CC a6933b2b2a32c7e2b806bc01fa6f7247 [1,1,0,0,0,0|1,0,1]=4 6679 B9R0.46 CCOCOCC(Br)CBr 7d960338833e695e123379ed2ddb4849 [1,1,0,0,0,0|2,0,0]=4 6680 B9R0.46 CCOCOCC(C)CC 60fb4fb3babe221b8d8ae1986565d154 [1,1,0,0,0,0|1,0,0]=3 6681 B9R0.46 CCOCOCC(C)OC 72b63d232e4fab994bff023a5b0f057e [1,1,0,0,0,0|2,0,0]=4 6682 B9R0.46 CCOCOCC(Cl)CCl e442b6e5cc627abe810ef4b7f46849e7 [1,1,0,0,0,0|2,0,0]=4 6683 B9R0.46 CCOCOCC(S)CS 9b8f615e9244f14ad7c8a1bbdce10c7d [1,1,0,0,0,0|2,0,0]=4 6684 B9R0.46 CCOCOC[C@@H](C)CC 4ac868e35e74969ecce9bd4527340c26 [1,1,0,0,0,0|1,0,0]=3 6685 B9R0.46 CCOCOC[C@@H](C)OC c19132217764fdacb11b2ed5db21e7d9 [1,1,0,0,0,0|2,0,0]=4 6686 B9R0.46 CCOCOC[C@H](C)CC 6804f7b528c5cfe5512f16fd7c3e3f7d [1,1,0,0,0,0|1,0,0]=3 6687 B9R0.46 CCOCOC[C@H](C)OC efa9d0f70ad3034cb44258d3a83d6461 [1,1,0,0,0,0|2,0,0]=4 6688 B9R0.46 CCS(=O)CCOCCF 8ef95104d3c4736cf32403e8715cd43e [1,1,0,0,0,0|2,0,0]=4 6689 B9R0.46 CCS(=O)CCOCCS 80b519a41b8db15a5367ed5720948bdd [1,1,0,0,0,0|2,0,0]=4 6690 B9R0.46 CCS(=O)CCOCOC cc45f556806623d703d038131bce054a [1,1,0,0,0,0|2,0,0]=4 6691 B9R0.46 CCSCCCN(C)CC c75a0dc6738611bb2ed2a429cc3a113d [1,1,0,0,0,0|2,0,0]=4 6692 B9R0.46 CCSCCNC(C)CC 2d90eb7b09af681bca309cff8cfc2d14 [1,1,0,0,0,0|2,0,0]=4 6693 B9R0.46 CCSCCN[C@@H](C)CC 33046732b768b2afbdce9bd218c42e2f [1,1,0,0,0,0|2,0,0]=4 6694 B9R0.46 CCSCCN[C@H](C)CC f84cfead981dbea1e74c43e4dd4b9a76 [1,1,0,0,0,0|2,0,0]=4 6695 B9R0.46 CCSCCOC(C)CC a99bfa3e0b7ddd23f5f4986851ab52fe [1,1,0,0,0,0|1,0,0]=3 6696 B9R0.46 CCSCCOC(C)CF 2d3c657c2b2dbd18e39939d8a43829a3 [1,1,0,0,0,0|2,0,0]=4 6697 B9R0.46 CCSCCOC(C)CS 54da956b4c8c8b63c2d7b7527d8abcc3 [1,1,0,0,0,0|2,0,0]=4 6698 B9R0.46 CCSCCO[C@@H](C)CC d5db9f13bade2dcda4aa60acaa3134ed [1,1,0,0,0,0|1,0,0]=3 6699 B9R0.46 CCSCCO[C@H](C)CC d85640a5066c15e315f48de11dbf8afd [1,1,0,0,0,0|1,0,0]=3 6700 B9R0.46 CCSCCO[C@H](C)CS a4d30a25b95927be20e232a14567ee8a [1,1,0,0,0,0|2,0,0]=4 6701 B9R0.46 CC[C@@H](C)CNCCCCl 957ebef67d2ae861120e94809e364f44 [1,1,0,0,0,0|2,0,0]=4 6702 B9R0.46 CC[C@@H](C)CNCCCO 4c3ce44a0c3881eab07a109768c53076 [1,1,0,0,0,0|2,0,0]=4 6703 B9R0.46 CC[C@@H](C)CNCCOC 0c4d0e273d8c3cde286ea3ef40aae601 [1,1,0,0,0,0|2,0,0]=4 6704 B9R0.46 CC[C@@H](C)CNCCSC 473be0b665ea98aff787f223844291a6 [1,1,0,0,0,0|2,0,0]=4 6705 B9R0.46 CC[C@@H](C)COCCC#N 5a04dd9c7eae1543e698fcd882d39132 [1,1,0,0,0,0|1,0,1]=4 6706 B9R0.46 CC[C@@H](C)COCCC=O 73ea6284a99d686bca8912bc4d397db8 [1,1,0,0,0,0|1,0,1]=4 6707 B9R0.46 CC[C@@H](C)COCCCF fc41ac2cfcb43bf231275de698c14903 [1,1,0,0,0,0|1,0,0]=3 6708 B9R0.46 CC[C@@H](C)COCCCS 57d260b3c50481f576cc9542789b4ef1 [1,1,0,0,0,0|1,0,0]=3 6709 B9R0.46 CC[C@@H](C)COCCOC 11a8e067c37d321b47b1174a4455512a [1,1,0,0,0,0|1,0,0]=3 6710 B9R0.46 CC[C@@H](C)COCCSC 2dfb6827106cf0f6d525c2adceffc8e0 [1,1,0,0,0,0|1,0,0]=3 6711 B9R0.46 CC[C@@H](C)NCCCCF eb65adaa49d7167074f92213ddbe6093 [1,1,0,0,0,0|2,0,0]=4 6712 B9R0.46 CC[C@@H](C)NCCCCO 75ad8c2daeead95458d1a1e8dccddd24 [1,1,0,0,0,0|2,0,0]=4 6713 B9R0.46 CC[C@@H](C)NCCCOC 822a7e313a224b9512648cc9b95bd904 [1,1,0,0,0,0|2,0,0]=4 6714 B9R0.46 CC[C@@H](C)NCCCSC 024d16c6df64eacbb8e22067de00574e [1,1,0,0,0,0|2,0,0]=4 6715 B9R0.46 CC[C@@H](C)OCCCC#N c32ce32a2f60c62d549952bb6e443541 [1,1,0,0,0,0|1,0,1]=4 6716 B9R0.46 CC[C@@H](C)OCCCC=O affc126d70813ac032232a3d21f0923c [1,1,0,0,0,0|1,0,1]=4 6717 B9R0.46 CC[C@@H](C)OCCCCF 5e3c9341302012b96ff35441d0c6a540 [1,1,0,0,0,0|1,0,0]=3 6718 B9R0.46 CC[C@@H](C)OCCCOC 2f9d57f9d6435302ae73a62c0138fd2b [1,1,0,0,0,0|1,0,0]=3 6719 B9R0.46 CC[C@@H](C)OCCCSC e3def9f2ce66bff30db7f50cb5fe763d [1,1,0,0,0,0|1,0,0]=3 6720 B9R0.46 CC[C@@H](O)CNCCCF 7bf6659ea8de7b146b80b5b4045f0937 [1,1,0,0,0,0|2,0,0]=4 6721 B9R0.46 CC[C@@H](O)CNCCCO 08b86832c312e48f7b7fa53b09edf713 [1,1,0,0,0,0|2,0,0]=4 6722 B9R0.46 CC[C@@H](O)CNCCCS d051e53a6d27d182f9ff21405c8ae76e [1,1,0,0,0,0|2,0,0]=4 6723 B9R0.46 CC[C@@H](O)CNCCOC c8d506c530eccde26f1fae791d78f832 [1,1,0,0,0,0|2,0,0]=4 6724 B9R0.46 CC[C@@H](O)CNCCSC a9b2d3e387529d8ef33918862b98c2f5 [1,1,0,0,0,0|2,0,0]=4 6725 B9R0.46 CC[C@H](C)CCCOCF 194911e0348f65d440f6b1ae1cabf828 [1,1,0,0,0,0|2,0,0]=4 6726 B9R0.46 CC[C@H](C)CCOCC#N a505708a1db2130a28b88ee016e737b4 [1,1,0,0,0,0|1,0,1]=4 6727 B9R0.46 CC[C@H](C)CCOCC=O 80dda8846c63ca08a849cc59acf34bed [1,1,0,0,0,0|1,0,1]=4 6728 B9R0.46 CC[C@H](C)CCOCCF 65f1a8f692bc413633f2553453ae2599 [1,1,0,0,0,0|1,0,0]=3 6729 B9R0.46 CC[C@H](C)CCOCCS 3d7d64a8868cacc88a22b2863146c292 [1,1,0,0,0,0|1,0,0]=3 6730 B9R0.46 CC[C@H](C)CCOCOC c0caa4055f4f401d311d021467a49848 [1,1,0,0,0,0|1,0,0]=3 6731 B9R0.46 CC[C@H](C)CCOCSC 65e0dba5496fb314a2e4e4952410bc6b [1,1,0,0,0,0|1,0,0]=3 6732 B9R0.46 CC[C@H](C)CNCCCCl cb5d3701a5454ab8a7c1e25b17e0c17c [1,1,0,0,0,0|2,0,0]=4 6733 B9R0.46 CC[C@H](C)CNCCCF e8fe43d0daac6024129fb4ce6eb899c7 [1,1,0,0,0,0|2,0,0]=4 6734 B9R0.46 CC[C@H](C)CNCCCO bbc2f0a02e4faf0f630ff6066f9a60d3 [1,1,0,0,0,0|2,0,0]=4 6735 B9R0.46 CC[C@H](C)CNCCCS 7de4d8a5b2b93a77f5a27c420a4ac670 [1,1,0,0,0,0|2,0,0]=4 6736 B9R0.46 CC[C@H](C)CNCCOC 89161844d77338176b3cf7dd44aac6c3 [1,1,0,0,0,0|2,0,0]=4 6737 B9R0.46 CC[C@H](C)CNCCSC 5e7c8ece39d8c5218152a0b255bf8521 [1,1,0,0,0,0|2,0,0]=4 6738 B9R0.46 CC[C@H](C)COCCC#N 071b8989533068d0ebab383b8fe47876 [1,1,0,0,0,0|1,0,1]=4 6739 B9R0.46 CC[C@H](C)COCCC=O 02998a6cb7d56226c823a7da35ede65f [1,1,0,0,0,0|1,0,1]=4 6740 B9R0.46 CC[C@H](C)COCCCF c65d08248060987a358e369c41822355 [1,1,0,0,0,0|1,0,0]=3 6741 B9R0.46 CC[C@H](C)COCCCS 52471b27c193c4f27fa0495c9da8f449 [1,1,0,0,0,0|1,0,0]=3 6742 B9R0.46 CC[C@H](C)COCCOC fe07e47f9ef9af8156176cdea14b87ec [1,1,0,0,0,0|1,0,0]=3 6743 B9R0.46 CC[C@H](C)COCCSC 5a144b0e0ccac41436b54cbf36011015 [1,1,0,0,0,0|1,0,0]=3 6744 B9R0.46 CC[C@H](C)NCCCCF 309e379717c13c1e9a6d85ea84bd551e [1,1,0,0,0,0|2,0,0]=4 6745 B9R0.46 CC[C@H](C)NCCCCO d56b8ae9eee11ef68d54b6dc3022e7f4 [1,1,0,0,0,0|2,0,0]=4 6746 B9R0.46 CC[C@H](C)NCCCOC b788f269c40d267ec5df84ae70dc09dc [1,1,0,0,0,0|2,0,0]=4 6747 B9R0.46 CC[C@H](C)NCCCSC cc62078d209b824b67a4761b761986b5 [1,1,0,0,0,0|2,0,0]=4 6748 B9R0.46 CC[C@H](C)OCCCC#N 46fce9032375e056ca79609b52bce31b [1,1,0,0,0,0|1,0,1]=4 6749 B9R0.46 CC[C@H](C)OCCCC=O 0bd2ba4d0329602504b9b03e6e85ee4b [1,1,0,0,0,0|1,0,1]=4 6750 B9R0.46 CC[C@H](C)OCCCCF 540bd33076f3a778f4a9ac8228bb2893 [1,1,0,0,0,0|1,0,0]=3 6751 B9R0.46 CC[C@H](C)OCCCOC 3a7736b0727880225605e3c3f5f132a5 [1,1,0,0,0,0|1,0,0]=3 6752 B9R0.46 CC[C@H](C)OCCCSC df0b9e89a23fd3867207d6b20f433550 [1,1,0,0,0,0|1,0,0]=3 6753 B9R0.46 COC(C)CCOCCF 23655e737355373d1a3fdc1a153519a0 [1,1,0,0,0,0|2,0,0]=4 6754 B9R0.46 COC(C)CCOCCS 96bb4909de31961dc0ec495c647aed4d [1,1,0,0,0,0|2,0,0]=4 6755 B9R0.46 COC(C)CCOCSC fec9b5ceb3905c164175b48b0617f9e8 [1,1,0,0,0,0|2,0,0]=4 6756 B9R0.46 COC(C)COCCCF 68e1bcd10a79a5fc7a2b1dce4b3d9d9e [1,1,0,0,0,0|2,0,0]=4 6757 B9R0.46 COC(C)COCCCS 78de3b47a63d9baa47733e2efc7e2a84 [1,1,0,0,0,0|2,0,0]=4 6758 B9R0.46 COC(C)COCCSC 1712cb8dc7dc99510f49e6135d79a303 [1,1,0,0,0,0|2,0,0]=4 6759 B9R0.46 COCCCOC(C)CF b04aa9b69a82c381174c73dded981cc8 [1,1,0,0,0,0|2,0,0]=4 6760 B9R0.46 COCCCOC(C)CS 652ef6b5e7b1540b7deea481984e0897 [1,1,0,0,0,0|2,0,0]=4 6761 B9R0.46 COCCCO[C@H](C)CS c66dcc70697b07c1abf6ad931e04f0c1 [1,1,0,0,0,0|2,0,0]=4 6762 B9R0.46 COCCOCC(Br)CBr d604c9f194d52184ce3f810005e14a04 [1,1,0,0,0,0|2,0,0]=4 6763 B9R0.46 COCCOCC(C)OC 1c52802edc1c5447aa3ce7f3c39a2560 [1,1,0,0,0,0|2,0,0]=4 6764 B9R0.46 COCCOCC(Cl)CCl bb907a040383c818e3116825e6163393 [1,1,0,0,0,0|2,0,0]=4 6765 B9R0.46 COCCOCC(O)CO d04f3fbcfb2b23f1462544a61d684626 [1,1,0,0,0,0|2,0,0]=4 6766 B9R0.46 COCCOCC(S)CS 40441a04b90fc37a7ef368b4ed5948ef [1,1,0,0,0,0|2,0,0]=4 6767 B9R0.46 COCCOC[C@@H](C)OC 3de0a24161a44b4e98ef48fc8d31baec [1,1,0,0,0,0|2,0,0]=4 6768 B9R0.46 COCCOC[C@@H](O)CO db856f25e157c78d794a3a239a143fd6 [1,1,0,0,0,0|2,0,0]=4 6769 B9R0.46 COCCOC[C@H](C)OC 388e87c448c11bec13a23ed3d9b3213d [1,1,0,0,0,0|2,0,0]=4 6770 B9R0.46 COCCOC[C@H](O)CO 80ac70db22d31e9af9fe7a8cec5a1d67 [1,1,0,0,0,0|2,0,0]=4 6771 B9R0.46 COCOCCC(C)OC c10363eba52be493ba01d56f54253f9d [1,1,0,0,0,0|2,0,0]=4 6772 B9R0.46 CO[C@@H](C)COCCCF 25e6b3dc4e822991a2156a2fd9c4b387 [1,1,0,0,0,0|2,0,0]=4 6773 B9R0.46 CO[C@@H](C)COCCCS 54d9b3254e15ce4f2de74e1525c51b0d [1,1,0,0,0,0|2,0,0]=4 6774 B9R0.46 CO[C@@H](C)COCCSC 06d7c64c32a29bcd6c4c052301655847 [1,1,0,0,0,0|2,0,0]=4 6775 B9R0.46 CO[C@H](C)COCCCF d9721241904a3283f1aa86cc5a406be9 [1,1,0,0,0,0|2,0,0]=4 6776 B9R0.46 CO[C@H](C)COCCCS 5450c9dad547b878419170c4d40f499c [1,1,0,0,0,0|2,0,0]=4 6777 B9R0.46 CO[C@H](C)COCCSC 52a88c9bc4239f0e6e0ce23024040490 [1,1,0,0,0,0|2,0,0]=4 6778 B9R0.46 CSCCCOC(C)CF f45fd11709b1b8ff8f9af41b3a12a29a [1,1,0,0,0,0|2,0,0]=4 6779 B9R0.46 CSCCCOC(C)CS d39cce5b87adf6dde2c8630ff6744ae2 [1,1,0,0,0,0|2,0,0]=4 6780 B9R0.46 CSCCCO[C@H](C)CS 2c3d7ce62e92ac573dc651a7e7327f87 [1,1,0,0,0,0|2,0,0]=4 6781 B9R0.46 CSCCOCC(Br)CBr f9898fc3b8040f1562e5bd3cd7a842dd [1,1,0,0,0,0|2,0,0]=4 6782 B9R0.46 CSCCOCC(Cl)CCl 592ab802e1d0046658d5dc5bc061132a [1,1,0,0,0,0|2,0,0]=4 6783 B9R0.46 CSCCOCC(O)CO f56ccfbe6413d41c8c42d0aeffe80426 [1,1,0,0,0,0|2,0,0]=4 6784 B9R0.46 CSCCOCC(S)CS 5aa07a2d95bee3967e45ea5c3e1e6547 [1,1,0,0,0,0|2,0,0]=4 6785 B9R0.46 CSCCOC[C@@H](O)CO 9df2c11b20a79f2230ddc2ae9d516243 [1,1,0,0,0,0|2,0,0]=4 6786 B9R0.46 CSCCOC[C@H](O)CO 5906c86c8a799750f715d47a627fa8f9 [1,1,0,0,0,0|2,0,0]=4 6787 B9R0.46 C[C@H](CS)OCCCCF 9342fa3f92d8f57aa7342744e2ef55bc [1,1,0,0,0,0|2,0,0]=4 6788 B9R0.46 FCCCOCC(Br)CBr 7f2e94fb803d77946f998035dddfb008 [1,1,0,0,0,0|2,0,0]=4 6789 B9R0.46 FCCCOCC(Cl)CCl fd8ff7a311deb66e304f452899a2922b [1,1,0,0,0,0|2,0,0]=4 6790 B9R0.46 FCCCOCC(S)CS d00e73cfb2f3356cb17006bf82edd6d2 [1,1,0,0,0,0|2,0,0]=4 6791 B9R0.46 OCC(O)COCCCF e7041c91598c4206cf27f00ca0997133 [1,1,0,0,0,0|2,0,0]=4 6792 B9R0.46 OCC(O)COCCCS f1176bb495d42cf6684997708d149ee5 [1,1,0,0,0,0|2,0,0]=4 6793 B9R0.46 OC[C@@H](O)COCCCF 5f4c61ca1a2e178a8e9f460221c18cba [1,1,0,0,0,0|2,0,0]=4 6794 B9R0.46 OC[C@@H](O)COCCCS 0207642497fa81ecece3ca17b8cf9b27 [1,1,0,0,0,0|2,0,0]=4 6795 B9R0.46 OC[C@H](O)COCCCF aad9395763c971642ad7c013d3557ba5 [1,1,0,0,0,0|2,0,0]=4 6796 B9R0.46 OC[C@H](O)COCCCS 0b694b9fbacfb23c5e3f3b007ea5d0da [1,1,0,0,0,0|2,0,0]=4 6797 B9R0.46 SCCCOCC(Br)CBr b37609dc1c8258a6658ce5601dcc9661 [1,1,0,0,0,0|2,0,0]=4 6798 B9R0.46 SCCCOCC(Cl)CCl 9adee6ecd66c2ca6f52078751ea6da5c [1,1,0,0,0,0|2,0,0]=4 6799 B9R0.46 SCCCOCC(S)CS c5e5225e704790cc7218f5d1432d9432 [1,1,0,0,0,0|2,0,0]=4 6800 B11R0.2 C#CCCCOC(C)CC(C)C c5a98bc60ed84bc3410a8e6d6555683c [0,2,0,0,0,0|0,0,2]=4 6801 B11R0.2 C#CCCCO[C@@H](C)CC(C)C bdb3df478b7e72bd048fcd97710eea1f [0,2,0,0,0,0|0,0,2]=4 6802 B11R0.2 C#CCCCO[C@H](C)CC(C)C 021b995bc44b6a0e7421b017727ba33b [0,2,0,0,0,0|0,0,2]=4 6803 B11R0.2 C#CCCOCC(C)CC(C)C d160207ba3c9ffc03fbc73a942a27c5c [0,2,0,0,0,0|0,0,2]=4 6804 B11R0.2 C/C=C/CCOC(C)CC(C)C 0166a290a696d882f71c34295044f35e [0,2,0,0,0,0|0,0,2]=4 6805 B11R0.2 C/C=C/COCC(C)CC(C)C 7e20a8db993fb3bc413fbc910c5e9732 [0,2,0,0,0,0|0,0,2]=4 6806 B11R0.2 C/C=C\COCC(C)CC(C)C a131334831e9a5e6995c9104272371fd [0,2,0,0,0,0|0,0,2]=4 6807 B11R0.2 C=CCCCOC(C)CC(C)C 18301c536f647f801db290ba3d32395f [0,2,0,0,0,0|0,0,2]=4 6808 B11R0.2 C=CCCCO[C@@H](C)CC(C)C 173d65b27c08b95828467a2f222415d4 [0,2,0,0,0,0|0,0,2]=4 6809 B11R0.2 C=CCCCO[C@H](C)CC(C)C aafb30ddbac7b1230a84f8350e939e8b [0,2,0,0,0,0|0,0,2]=4 6810 B11R0.2 C=CCCOCC(C)CC(C)C df693483ad8ea339e8f6809037d44ec9 [0,2,0,0,0,0|0,0,2]=4 6811 B11R0.2 CC#CCCOC(C)CC(C)C be9fcd7c451e9fd837fb23dffbd04e77 [0,2,0,0,0,0|0,0,2]=4 6812 B11R0.2 CC(C)CC(=O)COCCCF e2550c187a329af593a463d5f97db5a4 [0,2,0,0,0,0|1,0,1]=4 6813 B11R0.2 CC(C)CC(=O)COCCCS 3bfcdcc00ac589b5037b095b4bb22e6a [0,2,0,0,0,0|1,0,1]=4 6814 B11R0.2 CC(C)CC(C)COCCC#N 84d27987ca77e289811e437a1e9baf2a [0,2,0,0,0,0|1,0,1]=4 6815 B11R0.2 CC(C)CC(C)COCCC=O f8cc15513fc69f8bca0a9b18a869e359 [0,2,0,0,0,0|1,0,1]=4 6816 B11R0.2 CC(C)CC(C)COCCCF c312c254e76275f26a34d8389eb6449a [0,2,0,0,0,0|1,0,0]=3 6817 B11R0.2 CC(C)CC(C)COCCCS d853e99dcb64dd92065f465ef92924f5 [0,2,0,0,0,0|1,0,0]=3 6818 B11R0.2 CC(C)CC(C)NCCCCCl 479cb0b3f102d5d55b52c68f8dc6eede [0,2,0,0,0,0|2,0,0]=4 6819 B11R0.2 CC(C)CC(C)NCCCCF 46a4e27322b05de039e69b2e9a59d1b2 [0,2,0,0,0,0|2,0,0]=4 6820 B11R0.2 CC(C)CC(C)NCCCCO 2ea4a8556ffbbf356a038d34351a3fd4 [0,2,0,0,0,0|2,0,0]=4 6821 B11R0.2 CC(C)CC(C)NCCCCS 517ae866d6a5d8e4f53154d169bdc50d [0,2,0,0,0,0|2,0,0]=4 6822 B11R0.2 CC(C)CC(C)OCCCC#N 4552a7e551988189d2194874bdfc3352 [0,2,0,0,0,0|1,0,1]=4 6823 B11R0.2 CC(C)CC(C)OCCCC=O 60aee0d45b6e9c5bb3a2443bdcaa9f14 [0,2,0,0,0,0|1,0,1]=4 6824 B11R0.2 CC(C)CC(C)OCCCCF 153b4626a3b734650cba87a5851067a1 [0,2,0,0,0,0|1,0,0]=3 6825 B11R0.2 CC(C)CC(C)OCCCCS b2497b4f81040e74b7b73791876d6478 [0,2,0,0,0,0|1,0,0]=3 6826 B11R0.2 CC(C)CC(O)CNCCCF 126e67c5b14340f149e5f1d89a753386 [0,2,0,0,0,0|2,0,0]=4 6827 B11R0.2 CC(C)CC(O)CNCCCO 17de4b42f3fdb15cbe7b5f286906c141 [0,2,0,0,0,0|2,0,0]=4 6828 B11R0.2 CC(C)CC(O)CNCCCS 20c2396d49cbd34b3722f22f7419b5dc [0,2,0,0,0,0|2,0,0]=4 6829 B11R0.2 CC(C)C[C@@H](C)OCCCC#N a98569ef82208e24eb98410a3cbfa5e5 [0,2,0,0,0,0|1,0,1]=4 6830 B11R0.2 CC(C)C[C@@H](C)OCCCC=O 08728e77087437643ed719f8d6d1a692 [0,2,0,0,0,0|1,0,1]=4 6831 B11R0.2 CC(C)C[C@@H](C)OCCCCF 009385fb49739c04b299deb41c12081a [0,2,0,0,0,0|1,0,0]=3 6832 B11R0.2 CC(C)C[C@H](C)OCCCC#N a660469073b8bc026cf874928eb43ff6 [0,2,0,0,0,0|1,0,1]=4 6833 B11R0.2 CC(C)C[C@H](C)OCCCC=O d33323294abeed6a490a48136443e080 [0,2,0,0,0,0|1,0,1]=4 6834 B11R0.2 CC(C)C[C@H](C)OCCCCF 6c1e623f8b6b8c57a3483eec7670330f [0,2,0,0,0,0|1,0,0]=3 6835 B11R0.2 CC(CN(C)C)OCCCCF 728db75c9cbd4bb6fcfdf4ecacb02e76 [0,2,0,0,0,0|2,0,0]=4 6836 B11R0.2 CC(COCCCF)CN(C)C 98ee67180f7352d600f0a259009db5e7 [0,2,0,0,0,0|2,0,0]=4 6837 B11R0.2 CC(COCCCS)CN(C)C f6554ff5f82c1b964cc96083c0dabb9b [0,2,0,0,0,0|2,0,0]=4 6838 B11R0.2 CC(O)CC(C)NCCCCF 3672692138f3307147c8898a9f88d9a6 [0,2,0,0,0,0|2,0,0]=4 6839 B11R0.2 CC(O)CC(C)NCCCCO 8e5d80aa5dd848417b49b9e78da35ee6 [0,2,0,0,0,0|2,0,0]=4 6840 B11R0.2 CC/C=C/COC(C)CC(C)C 19f1dc43b1f3a0732932fc415ccfb72c [0,2,0,0,0,0|0,0,2]=4 6841 B11R0.2 CC/C=C/CO[C@@H](C)CC(C)C c9d9c04553663f9aa719528bf87da969 [0,2,0,0,0,0|0,0,2]=4 6842 B11R0.2 CC/C=C/CO[C@H](C)CC(C)C d78c07dc9f540693ed5c4bd9e99e4345 [0,2,0,0,0,0|0,0,2]=4 6843 B11R0.2 CC/C=C\COC(C)CC(C)C 60c4855b2a5f969c4dedce65fa571be2 [0,2,0,0,0,0|0,0,2]=4 6844 B11R0.2 CCC#CCOC(C)CC(C)C 4c620879aba32af738de745fb858917a [0,2,0,0,0,0|0,0,2]=4 6845 B11R0.2 CCCCCCC(C)NC(C)C bbf84db520f9ead3b20d7cf581813326 [0,2,0,0,0,0|2,0,0]=4 6846 B11R0.2 CCCCCCC(C)OC(C)C a0411d3293c7ba390aed6f47b01f72a2 [0,2,0,0,0,0|2,0,0]=4 6847 B11R0.2 CCCCCCN(C)CC(C)C 75381f5b030f59775455731f978dd2db [0,2,0,0,0,0|2,0,0]=4 6848 B11R0.2 CCCCCCN(C)CC(C)O a9dd09345b7ade61af05dba120ab6503 [0,2,0,0,0,0|2,0,0]=4 6849 B11R0.2 CCCCCCN(C)C[C@@H](C)O c920e3f5d8a26d97a0c4849baa4d03d2 [0,2,0,0,0,0|2,0,0]=4 6850 B11R0.2 CCCCCCN(C)C[C@H](C)O 94f3e4ffc4936f66a71ce3f1da85b272 [0,2,0,0,0,0|2,0,0]=4 6851 B11R0.2 CCCCCC[C@@H](C)NC(C)C 4dde7b7fe2584618d51d109097a757f7 [0,2,0,0,0,0|2,0,0]=4 6852 B11R0.2 CCCCCC[C@@H](C)OC(C)C 860db748912fc8f1ffde2a6de2ada311 [0,2,0,0,0,0|2,0,0]=4 6853 B11R0.2 CCCCCC[C@H](C)NC(C)C 73cdbcc3d265db5ee3796bdda47c4845 [0,2,0,0,0,0|2,0,0]=4 6854 B11R0.2 CCCCCC[C@H](C)OC(C)C f8ee870552a20b0e1cb720a73a23e127 [0,2,0,0,0,0|2,0,0]=4 6855 B11R0.2 CCCCCNC(=O)CC(C)C 692756888e78a392ba26d7edfbe106d1 [0,2,0,0,0,0|1,0,1]=4 6856 B11R0.2 CCCCCNC(=O)CC(C)O a7310630ee05db8507d17f6f5635f1f7 [0,2,0,0,0,0|1,0,1]=4 6857 B11R0.2 CCCCCNC(=O)C[C@@H](C)O 74bdad8f051e73e767c01c34354bb00a [0,2,0,0,0,0|1,0,1]=4 6858 B11R0.2 CCCCCNC(=O)C[C@H](C)O 0641d6521812951e3665c5f041988d44 [0,2,0,0,0,0|1,0,1]=4 6859 B11R0.2 CCCCCNC(C)CC(C)C c4740cb8d5b2eec8477f561dbc26c004 [0,2,0,0,0,0|1,0,0]=3 6860 B11R0.2 CCCCCNC(C)CC(C)O 64648d0e2e8ea3834876aee95836a97d [0,2,0,0,0,0|1,0,0]=3 6861 B11R0.2 CCCCCNC(C)CN(C)C 9e51b64839d105f8c22ce736be096567 [0,2,0,0,0,0|2,0,0]=4 6862 B11R0.2 CCCCCN[C@@H](C)CN(C)C 815aa86128431337ba43d128e35927c4 [0,2,0,0,0,0|2,0,0]=4 6863 B11R0.2 CCCCCN[C@H](C)CN(C)C 42491b11ae22a24b7e6cb45a708ec639 [0,2,0,0,0,0|2,0,0]=4 6864 B11R0.2 CCCCCOC(C)CC(=O)N f8e1b826266308c0b0e93a288800c0a5 [0,2,0,0,0,0|1,0,1]=4 6865 B11R0.2 CCCCCOC(C)CC(=O)O c4f6d91d5cba7a6eb60e8eedc267d663 [0,2,0,0,0,0|1,0,1]=4 6866 B11R0.2 CCCCCOC(C)CC(C)C be39f1add9f222b1159083d9fa6823a0 [0,2,0,0,0,0|0,0,0]=2 6867 B11R0.2 CCCCCOC(C)CN(C)C 55f701948112b13d4a06dc7f6afbe318 [0,2,0,0,0,0|1,0,0]=3 6868 B11R0.2 CCCCCOC(C)C[N+](=O)[O-] 10cef706fb85e41b9f1d9a5715e673c9 [0,2,0,0,0,0|2,0,0]=4 6869 B11R0.2 CCCCCOC(C)OC(=O)C b3f4881419ed11c1fe16fad8e148a6d9 [0,2,0,0,0,0|1,0,1]=4 6870 B11R0.2 CCCCCO[C@@H](C)CC(=O)O 760c1d1cf7508749ba57f8e374efa729 [0,2,0,0,0,0|1,0,1]=4 6871 B11R0.2 CCCCCO[C@@H](C)CC(C)C fb1ef9a0ecb52f623619cbd49cf4f2fa [0,2,0,0,0,0|0,0,0]=2 6872 B11R0.2 CCCCCO[C@@H](C)CN(C)C 8ba96c9ae97bb156f45036d4fce275d8 [0,2,0,0,0,0|1,0,0]=3 6873 B11R0.2 CCCCCO[C@H](C)CC(=O)O 8b6a404610ba4ea008d74ddda615d1d3 [0,2,0,0,0,0|1,0,1]=4 6874 B11R0.2 CCCCCO[C@H](C)CC(C)C 646deb2ca3d348336771ca933ec06dc5 [0,2,0,0,0,0|0,0,0]=2 6875 B11R0.2 CCCCCO[C@H](C)CN(C)C ccd13b6e699ad762901cf6bf618e63fa [0,2,0,0,0,0|1,0,0]=3 6876 B11R0.2 CCCCNCC(=O)CC(C)C d006389757a0c299b82d73977ac5807c [0,2,0,0,0,0|1,0,1]=4 6877 B11R0.2 CCCCNCC(C)CN(C)C 7a0957d38b7d2362437577a3821a6c06 [0,2,0,0,0,0|2,0,0]=4 6878 B11R0.2 CCCCNCC(O)CC(C)C 9c5a2908eb7036d1ddf8e000bfddbd46 [0,2,0,0,0,0|1,0,0]=3 6879 B11R0.2 CCCCNCC(O)CN(C)C bf84031ca08c4a81aa51174ef2adcd2d [0,2,0,0,0,0|2,0,0]=4 6880 B11R0.2 CCCCOCC(=O)CC(C)C 62a3b9dc30cfaf821d5bee4eb15dafce [0,2,0,0,0,0|0,0,1]=3 6881 B11R0.2 CCCCOCC(=O)NC(C)C 10cd1ce0ae5762eecfdc0632dcc100b7 [0,2,0,0,0,0|1,0,1]=4 6882 B11R0.2 CCCCOCC(=O)OC(C)C c8359866a0c386741b6f770b158ef158 [0,2,0,0,0,0|1,0,1]=4 6883 B11R0.2 CCCCOCC(C)CC(C)C b39f53b174b5333ec77dcb10c69286d7 [0,2,0,0,0,0|0,0,0]=2 6884 B11R0.2 CCCCOCC(C)CN(C)C 0ac73ae182ff71b0137f4fc6570f00b5 [0,2,0,0,0,0|1,0,0]=3 6885 B11R0.2 CCCCOCC(C)NC(=O)C e161e9db7251f8f77526dfd842c19bfc [0,2,0,0,0,0|1,0,1]=4 6886 B11R0.2 CCCCOCC(C)OC(C)C bb84bccc062051baccdcae2ecdeaba16 [0,2,0,0,0,0|1,0,0]=3 6887 B11R0.2 CCCCOCN(C)CC(C)C 6755c926a23ce20b4b45bd2ad6f3f6bc [0,2,0,0,0,0|1,0,0]=3 6888 B11R0.2 CCCCOCN(C)CC(C)O 9995ae1df1c82eae759ca51797684644 [0,2,0,0,0,0|1,0,0]=3 6889 B11R0.2 CCCCOCN(C)CC(F)F 9d03097b585c793a0e31758cf079cafc [0,2,0,0,0,0|2,0,0]=4 6890 B11R0.2 CCCCOCN(C)C[C@H](C)O 0c5cfb2cb2207252306cc0cfac218b64 [0,2,0,0,0,0|1,0,0]=3 6891 B11R0.2 CCCCOC[C@@H](C)CN(C)C 109c5bda02d53f9d23b81c05f1674a3a [0,2,0,0,0,0|1,0,0]=3 6892 B11R0.2 CCCCOC[C@@H](C)NC(=O)C a5e2936777c90350c2c332f2a167f0d1 [0,2,0,0,0,0|1,0,1]=4 6893 B11R0.2 CCCCOC[C@H](C)CN(C)C 52e62a9d4cbcb72bc2705b0909e2fd4c [0,2,0,0,0,0|1,0,0]=3 6894 B11R0.2 CCCNCOC(=O)CC(C)C 03b8532101a58edc6670b3ee855d793c [0,2,0,0,0,0|1,0,1]=4 6895 B11R0.2 CCCOCCC(C)CC(C)C 15092825265aa22826b93c0d351d5f85 [0,2,0,0,0,0|2,0,0]=4 6896 B11R0.2 CCCOCOC(=O)CC(C)C e5fa797e9f664b75ef33720be87bc236 [0,2,0,0,0,0|1,0,1]=4 6897 B11R0.2 CCOCCCC(C)CC(C)C d2dfd4230a2e982ddf53690e84a4475a [0,2,0,0,0,0|2,0,0]=4 6898 B11R0.2 CCOCCNC(C)CC(C)C 1dc2ca722fa0114e5464759cf0b3fbd8 [0,2,0,0,0,0|2,0,0]=4 6899 B11R0.2 CCOCCNC(C)CC(C)O c900756b42d6c9f35031579c7b115334 [0,2,0,0,0,0|2,0,0]=4 6900 B11R0.2 CCOCCOC(C)CC(C)C 59755fd227f743c4c689eb57a5cbb600 [0,2,0,0,0,0|1,0,0]=3 6901 B11R0.2 CCOCCOC(C)CN(C)C 4966872a62187f33674ba4e9960bf92a [0,2,0,0,0,0|2,0,0]=4 6902 B11R0.2 CCOCCO[C@@H](C)CC(C)C 3327cd17e00fcfe361ba4d0faa3e0040 [0,2,0,0,0,0|1,0,0]=3 6903 B11R0.2 CCOCCO[C@@H](C)CN(C)C 0dad0fbf563ef4df342b8de354ae0267 [0,2,0,0,0,0|2,0,0]=4 6904 B11R0.2 CCOCCO[C@H](C)CC(C)C 5463f267aa64be4d6799db4ac3f87b64 [0,2,0,0,0,0|1,0,0]=3 6905 B11R0.2 CCOCCO[C@H](C)CN(C)C a9ad575b06433a47e035ff60bc868348 [0,2,0,0,0,0|2,0,0]=4 6906 B11R0.2 CCOCNCC(O)CC(C)C d1ddc732b127a1b9c2651b98337712d0 [0,2,0,0,0,0|2,0,0]=4 6907 B11R0.2 CCOCOCC(C)CC(C)C 7e506ab802905696e67157af9e491ff5 [0,2,0,0,0,0|1,0,0]=3 6908 B11R0.2 CCOCOCC(C)CN(C)C 8d9f514200c9da3a0d1b148581a4b28d [0,2,0,0,0,0|2,0,0]=4 6909 B11R0.2 CCOCOC[C@@H](C)CN(C)C 0667559508cce5e5e1ac63d7392c375d [0,2,0,0,0,0|2,0,0]=4 6910 B11R0.2 CCOCOC[C@H](C)CN(C)C f15b2fbcce23dedd93a74a504f691647 [0,2,0,0,0,0|2,0,0]=4 6911 B11R0.2 CCSCCNC(C)CC(C)C 0bc09d76bf17e7cb94ec2d90c2307f6b [0,2,0,0,0,0|2,0,0]=4 6912 B11R0.2 CCSCCNC(C)CC(C)O d8976ca9dedfc23d760cf3402f016edb [0,2,0,0,0,0|2,0,0]=4 6913 B11R0.2 CCSCCOC(C)CC(C)C 254782d794fb34e75590f377e6b6e237 [0,2,0,0,0,0|1,0,0]=3 6914 B11R0.2 CCSCCOC(C)CN(C)C d51ea605b0bc1ee286b43ee1ea192e14 [0,2,0,0,0,0|2,0,0]=4 6915 B11R0.2 CCSCCO[C@@H](C)CC(C)C d3aa77a0183c132e47121187c7b33d3b [0,2,0,0,0,0|1,0,0]=3 6916 B11R0.2 CCSCCO[C@@H](C)CN(C)C a78fd91e1289fd6b0e094bbe73817135 [0,2,0,0,0,0|2,0,0]=4 6917 B11R0.2 CCSCCO[C@H](C)CC(C)C 1538f8f76e258cc1f6f496375fb87b60 [0,2,0,0,0,0|1,0,0]=3 6918 B11R0.2 CCSCCO[C@H](C)CN(C)C 49f26a3fb5417f5ab042d19040be4271 [0,2,0,0,0,0|2,0,0]=4 6919 B11R0.2 COCCCNC(C)CC(C)C 85209a282cab6b3e9a5b5db43da04891 [0,2,0,0,0,0|2,0,0]=4 6920 B11R0.2 COCCCNC(C)CC(C)O 0c6873843e688f65bc42b3b5c29b0c7a [0,2,0,0,0,0|2,0,0]=4 6921 B11R0.2 COCCCOC(C)CC(C)C 8180904ee00e8234c35adc229954dae7 [0,2,0,0,0,0|1,0,0]=3 6922 B11R0.2 COCCCOC(C)CN(C)C d918f4aa1b9839e8f4314e3aa60bb128 [0,2,0,0,0,0|2,0,0]=4 6923 B11R0.2 COCCCO[C@@H](C)CC(C)C 57554b5a842639eff66d3ca412bb7701 [0,2,0,0,0,0|1,0,0]=3 6924 B11R0.2 COCCCO[C@@H](C)CN(C)C 8f1403db4be337feab50f50896d0699f [0,2,0,0,0,0|2,0,0]=4 6925 B11R0.2 COCCCO[C@H](C)CC(C)C 58b12efdf7912d05e912dc9fef957db5 [0,2,0,0,0,0|1,0,0]=3 6926 B11R0.2 COCCCO[C@H](C)CN(C)C 5d10b253427fec4215426da559d79846 [0,2,0,0,0,0|2,0,0]=4 6927 B11R0.2 COCCNCC(O)CC(C)C 917fde2485b90391b366ed072869d592 [0,2,0,0,0,0|2,0,0]=4 6928 B11R0.2 COCCOCC(=O)CC(C)C 9a10582487ad7620dee8636bece1596f [0,2,0,0,0,0|1,0,1]=4 6929 B11R0.2 COCCOCC(C)CC(C)C 7f9fe556f435b01e781dd73db5927717 [0,2,0,0,0,0|1,0,0]=3 6930 B11R0.2 COCCOCC(C)CN(C)C 4072f8345c8958a449ab76443db90b6e [0,2,0,0,0,0|2,0,0]=4 6931 B11R0.2 COCCOCN(C)CC(C)C 843726b71a0ca85a927439a3a62921a4 [0,2,0,0,0,0|2,0,0]=4 6932 B11R0.2 COCCOCN(C)CC(C)O ef53688c8f4ff042839fcfef210bcb1c [0,2,0,0,0,0|2,0,0]=4 6933 B11R0.2 COCCOCN(C)C[C@H](C)O 4fbed4d28721a469b5069412e098ef48 [0,2,0,0,0,0|2,0,0]=4 6934 B11R0.2 COCCOC[C@@H](C)CN(C)C d53208a2b3590695e907dfd00d0cf202 [0,2,0,0,0,0|2,0,0]=4 6935 B11R0.2 COCCOC[C@H](C)CN(C)C 29e1ad4426c5d0a43ef8a1ff07601abe [0,2,0,0,0,0|2,0,0]=4 6936 B11R0.2 CSCCCNC(C)CC(C)C 46e86be6a31cf0478f0d8a0121e81dac [0,2,0,0,0,0|2,0,0]=4 6937 B11R0.2 CSCCCNC(C)CC(C)O 0a4a6c635581c5172e1baa9eb786b56c [0,2,0,0,0,0|2,0,0]=4 6938 B11R0.2 CSCCCOC(C)CC(C)C ebb440418af074d1fff3a7dc83743665 [0,2,0,0,0,0|1,0,0]=3 6939 B11R0.2 CSCCCOC(C)CN(C)C 99af99dd5d0f3953b3c042fe8576d7c3 [0,2,0,0,0,0|2,0,0]=4 6940 B11R0.2 CSCCCO[C@@H](C)CC(C)C cd41d4f33e4ddec76878cdc59c3ea143 [0,2,0,0,0,0|1,0,0]=3 6941 B11R0.2 CSCCCO[C@@H](C)CN(C)C 1fb7d3b0adef1d1ddc09e63fd699d461 [0,2,0,0,0,0|2,0,0]=4 6942 B11R0.2 CSCCCO[C@H](C)CC(C)C ce44c1fc51a71431fc4470507ba1c9ac [0,2,0,0,0,0|1,0,0]=3 6943 B11R0.2 CSCCCO[C@H](C)CN(C)C 9fbd41367e6feceead876448fbde406f [0,2,0,0,0,0|2,0,0]=4 6944 B11R0.2 CSCCNCC(O)CC(C)C b4febc2fe358d8325ddd395a6d551f4c [0,2,0,0,0,0|2,0,0]=4 6945 B11R0.2 CSCCOCC(=O)CC(C)C ebe0a8de62432aef7b8d01556d334c20 [0,2,0,0,0,0|1,0,1]=4 6946 B11R0.2 CSCCOCC(C)CC(C)C 24f6a074f3d92875749686b55e272527 [0,2,0,0,0,0|1,0,0]=3 6947 B11R0.2 CSCCOCC(C)CN(C)C 7701c7e142869dd156721deaee0713fa [0,2,0,0,0,0|2,0,0]=4 6948 B11R0.2 CSCCOC[C@@H](C)CN(C)C 33f2d41f18e6b93344662a14c810fbdf [0,2,0,0,0,0|2,0,0]=4 6949 B11R0.2 CSCCOC[C@H](C)CN(C)C 1c73ea4a5a4a4c54f517fb70f823ebae [0,2,0,0,0,0|2,0,0]=4 6950 B11R0.2 C[C@@H](CN(C)C)OCCCCF e8257ef95aba7c67584a10fac55c4bde [0,2,0,0,0,0|2,0,0]=4 6951 B11R0.2 C[C@@H](COCCCF)CN(C)C cdb70eca7df96c6234be30d695e64397 [0,2,0,0,0,0|2,0,0]=4 6952 B11R0.2 C[C@@H](COCCCS)CN(C)C f115b38159af40f5dcc244175daa5e9f [0,2,0,0,0,0|2,0,0]=4 6953 B11R0.2 C[C@H](CN(C)C)OCCCCF bd872c7cf63c3751e353bf8931ebc05f [0,2,0,0,0,0|2,0,0]=4 6954 B11R0.2 C[C@H](COCCCF)CN(C)C 6a2a600400307dbd5457adae23b61cd2 [0,2,0,0,0,0|2,0,0]=4 6955 B11R0.2 C[C@H](COCCCS)CN(C)C 88e47a3f9095819a4e832c3f49b90176 [0,2,0,0,0,0|2,0,0]=4 6956 B11R0.4 C#CCC(C)OCCCCCC de4831aeff76db324398acb609d80369 [0,2,0,0,0,0|0,0,2]=4 6957 B11R0.4 C#CCC(C)OCCCCCF 377b50fe9a00a4dded09b1b2eba49bf3 [0,2,0,0,0,0|0,0,2]=4 6958 B11R0.4 C#CCC(C)OCCCCOC c6385ecdad722f06a9a0bc473d89939a [0,2,0,0,0,0|0,0,2]=4 6959 B11R0.4 C#CCC(C)OCCCOCC 270aefd8f5864e6c06d6c33285a90930 [0,2,0,0,0,0|0,0,2]=4 6960 B11R0.4 C#CCC(C)OCCCSCC fff6912ed2b4b3f33d7a9acdc28f825d [0,2,0,0,0,0|0,0,2]=4 6961 B11R0.4 C#CCC(C)OCCOCCC 499a2fa7724d9d05f509ae761d627565 [0,2,0,0,0,0|0,0,2]=4 6962 B11R0.4 C#CCCCCNC(C)CCC 0de0539836a5e4692d8eb95c840d1258 [0,2,0,0,0,0|1,0,1]=4 6963 B11R0.4 C#CCCCCN[C@@H](C)CCC 12d057133c486966f349cf2847abad3e [0,2,0,0,0,0|1,0,1]=4 6964 B11R0.4 C#CCCCCOC(=S)CCC 21dd01e601ae3b5ae3e4fc3f40ed41fe [0,2,0,0,0,0|0,0,2]=4 6965 B11R0.4 C#CCCCCOC(C)CCC 634dab436e5a6cb7d4a4a05b3d65bb97 [0,2,0,0,0,0|0,0,1]=3 6966 B11R0.4 C#CCCCCOC(C)COC 49867ec9b0ac17b8b8a400ae217b5142 [0,2,0,0,0,0|1,0,1]=4 6967 B11R0.4 C#CCCCCOC(C)CSC 2a6fff71b5cad6369e42979b60ee5e42 [0,2,0,0,0,0|1,0,1]=4 6968 B11R0.4 C#CCCCCO[C@@H](C)CCC c177c2c2a67950e0ad1b4fa33d4ba1ed [0,2,0,0,0,0|0,0,1]=3 6969 B11R0.4 C#CCCCCO[C@@H](C)COC cdebe546c3fbe50b94f9d4d4c14f7293 [0,2,0,0,0,0|1,0,1]=4 6970 B11R0.4 C#CCCCCO[C@H](C)CCC 1ddbb4cc247f9b170b12a029e0a71224 [0,2,0,0,0,0|0,0,1]=3 6971 B11R0.4 C#CCCCCO[C@H](C)COC 81f54d337984c3e117e742bbc97cdf18 [0,2,0,0,0,0|1,0,1]=4 6972 B11R0.4 C#CCCCNCC(C)CCC 295654339f4f34e72a34b62ffc4a8a65 [0,2,0,0,0,0|1,0,1]=4 6973 B11R0.4 C#CCCCNCC(O)CCC 6b14bad17dd97cc68b78a5c174ca2f43 [0,2,0,0,0,0|1,0,1]=4 6974 B11R0.4 C#CCCCOCC(=O)CCC 4b0c78afda647305952ad8cc8708def6 [0,2,0,0,0,0|0,0,2]=4 6975 B11R0.4 C#CCCCOCC(C)CCC cc1e77deedb5f2978756da44e57dce79 [0,2,0,0,0,0|0,0,1]=3 6976 B11R0.4 C#CCCCOCC(C)COC 8023134afc3c9033b6024e4178c1bb29 [0,2,0,0,0,0|0,0,2]=4 6977 B11R0.4 C#CCCCOCC(C)OCC 9bc89fde936108a8c506f0f1279cbe94 [0,2,0,0,0,0|0,0,2]=4 6978 B11R0.4 C#CCCCOC[C@@H](C)COC 29c47d4b058ffc1343748163b02d167e [0,2,0,0,0,0|0,0,2]=4 6979 B11R0.4 C#CCCCOC[C@@H](O)CCO f1cda4ea4ecaca5919e7599c4754ceb8 [0,2,0,0,0,0|0,0,2]=4 6980 B11R0.4 C#CCCOCCC(C)CCC 199f134aa8d6e00247f3457d790edb6f [0,2,0,0,0,0|0,0,2]=4 6981 B11R0.4 C#CCCOCCC(S)CCC 9f60a365181717945a9724a0308a4f4a [0,2,0,0,0,0|0,0,2]=4 6982 B11R0.4 C#CCN(C)CCOCCCC 93dfacdef8977aadb59b4bf6447ca8b5 [0,2,0,0,0,0|0,0,2]=4 6983 B11R0.4 C#CCOCCOC(C)CCC 852ac763b041127dfcb7dc0d8a11c08f [0,2,0,0,0,0|0,0,2]=4 6984 B11R0.4 C#CCOCCO[C@@H](C)CCC bb834254dd4d613276a973ae85203beb [0,2,0,0,0,0|0,0,2]=4 6985 B11R0.4 C#CCOCCO[C@H](C)CCC e699ff588322fde118e249c3acb8eef0 [0,2,0,0,0,0|0,0,2]=4 6986 B11R0.4 C/C=C/C(C)OCCCCCC ea28d412093358dd216c8723f1fca06a [0,2,0,0,0,0|0,0,2]=4 6987 B11R0.4 C/C=C/C(C)OCCCCCF b4df747ec6dcdf61bd6ad768f93ef73a [0,2,0,0,0,0|0,0,2]=4 6988 B11R0.4 C/C=C/C(C)OCCCCOC 3e370e9ef9aba47df0b234f0f3ab5e9a [0,2,0,0,0,0|0,0,2]=4 6989 B11R0.4 C/C=C/C(C)OCCCOCC ca2b2e3902d8fddb7d28929c824db816 [0,2,0,0,0,0|0,0,2]=4 6990 B11R0.4 C/C=C/C(C)OCCCSCC 5a84432abb16f3442cef80053c1a76f1 [0,2,0,0,0,0|0,0,2]=4 6991 B11R0.4 C/C=C/C(C)OCCOCCC f77e8c50792805b76af8cd8d91b3cded [0,2,0,0,0,0|0,0,2]=4 6992 B11R0.4 C/C=C/C(C)OCOCCCC afaf072cd7a7c476cc139bcb5750fe4b [0,2,0,0,0,0|0,0,2]=4 6993 B11R0.4 C/C=C/CCCOC(C)CCC 8358ebf24003def3f85c1da708a1a527 [0,2,0,0,0,0|0,0,1]=3 6994 B11R0.4 C/C=C/CCCOC(C)COC fe0ccb3723e03b4815f23a3bee5223b0 [0,2,0,0,0,0|1,0,1]=4 6995 B11R0.4 C/C=C/CCOCC(=O)CCC edf49135ac9aa378690e2be412736a8b [0,2,0,0,0,0|0,0,2]=4 6996 B11R0.4 C/C=C/CCOCC(C)CCC bcd0248fe7b5f7d499f8b7fc50e4eb25 [0,2,0,0,0,0|0,0,1]=3 6997 B11R0.4 C/C=C/CCOC[C@@H](O)CCO 7375ede615ffc47d44f6db2b96593ce1 [0,2,0,0,0,0|0,0,2]=4 6998 B11R0.4 C/C=C/COCCC(C)CCC 0c18bd6f6950974b063aca75205c03f6 [0,2,0,0,0,0|0,0,2]=4 6999 B11R0.4 C/C=C/COCCC(S)CCC 3f8e54ecb5e41543c6ef8b973075e42c [0,2,0,0,0,0|0,0,2]=4 7000 B11R0.4 C/C=C\CCCNC(C)CCC 5a19e31e349a19a1f9e3ef8761d91af9 [0,2,0,0,0,0|1,0,1]=4 7001 B11R0.4 C/C=C\CCCN[C@@H](C)CCC 14782cdc0999d0c6ab329b197fdc0810 [0,2,0,0,0,0|1,0,1]=4 7002 B11R0.4 C/C=C\CCCOC(=S)CCC 2a40e8e0ad4571657160411f8ee6cf06 [0,2,0,0,0,0|0,0,2]=4 7003 B11R0.4 C/C=C\CCCOC(C)CCC c911121ef6b9362a32a9bcf7810ffc16 [0,2,0,0,0,0|0,0,1]=3 7004 B11R0.4 C/C=C\CCCOC(C)COC d18f8f32734b71ecf3a308d5844afe67 [0,2,0,0,0,0|1,0,1]=4 7005 B11R0.4 C/C=C\CCCOC(C)CSC 358945d4901d61745661bbbe566ec43e [0,2,0,0,0,0|1,0,1]=4 7006 B11R0.4 C/C=C\CCCO[C@@H](C)CCC e7f84084a0645c57b6bd2644cd3fc31a [0,2,0,0,0,0|0,0,1]=3 7007 B11R0.4 C/C=C\CCCO[C@@H](C)COC a2f348cad75aba9d6e79d9ed8b6362e8 [0,2,0,0,0,0|1,0,1]=4 7008 B11R0.4 C/C=C\CCCO[C@H](C)CCC fdf82199e9ceaf41cad8965c0456c9db [0,2,0,0,0,0|0,0,1]=3 7009 B11R0.4 C/C=C\CCCO[C@H](C)COC b6553d27b6a72e1579940d701de64ea1 [0,2,0,0,0,0|1,0,1]=4 7010 B11R0.4 C/C=C\COCCC(C)CCC 1ae84aa70d582864554825ccf5eb28f0 [0,2,0,0,0,0|0,0,2]=4 7011 B11R0.4 C/C=C\COCCC(S)CCC 6984a4fdca8f9d62dcf43ae1c29c6cc2 [0,2,0,0,0,0|0,0,2]=4 7012 B11R0.4 C=C=CCCOCC(C)CCC 6b6ca61e04a4e1cadfd9b17c3e058024 [0,2,0,0,0,0|0,0,2]=4 7013 B11R0.4 C=CCC(C)CNCCCCC 78499161f310754947506c7bc839e721 [0,2,0,0,0,0|1,0,1]=4 7014 B11R0.4 C=CCC(C)COCCCCC 0b9c3844b09d8901a21fb77384e2113b [0,2,0,0,0,0|0,0,1]=3 7015 B11R0.4 C=CCC(C)COCCCCF 93fb0980b9235e0b52bb8a37a5284665 [0,2,0,0,0,0|0,0,2]=4 7016 B11R0.4 C=CCC(C)COCCCCS ebad7d125259e0e37c3242bcb7826e80 [0,2,0,0,0,0|0,0,2]=4 7017 B11R0.4 C=CCC(C)COCCCOC a1dc7596f08556202371f730e513ac3b [0,2,0,0,0,0|0,0,2]=4 7018 B11R0.4 C=CCC(C)COCCCSC 4529f29d008c4dbe2e7367e12dd06306 [0,2,0,0,0,0|0,0,2]=4 7019 B11R0.4 C=CCC(C)COCCOCC 2bf9bad09be1be6c45d8735b13f8c6ca [0,2,0,0,0,0|0,0,2]=4 7020 B11R0.4 C=CCC(C)COCCSCC 32099a1ad20af6bc8cf66b7da482d95a [0,2,0,0,0,0|0,0,2]=4 7021 B11R0.4 C=CCC(C)OCCCCCC 15350466c6b966aac72a8255a29460d3 [0,2,0,0,0,0|0,0,2]=4 7022 B11R0.4 C=CCC(C)OCCCCCF 683eae21291241bc34e0fe5147f7f5fe [0,2,0,0,0,0|0,0,2]=4 7023 B11R0.4 C=CCC(C)OCCCCOC fbc3417dd1c348cdf800918d6d2ce0ca [0,2,0,0,0,0|0,0,2]=4 7024 B11R0.4 C=CCC(C)OCCCOCC f2cfc66412cf84c994b2591e2051c123 [0,2,0,0,0,0|0,0,2]=4 7025 B11R0.4 C=CCC(C)OCCCSCC f45cfacb5d775b3a7d7b8449e0a0788e [0,2,0,0,0,0|0,0,2]=4 7026 B11R0.4 C=CCC(C)OCCOCCC 4318f96aa91bed89a3bf4659564a95ce [0,2,0,0,0,0|0,0,2]=4 7027 B11R0.4 C=CCC(C)OCOCCCC 9837dbdb99dc1ff25037df36b60c6e4f [0,2,0,0,0,0|0,0,2]=4 7028 B11R0.4 C=CCC(O)CNCCCCC cbf36c316559135fbb7a1ab010acf5eb [0,2,0,0,0,0|1,0,1]=4 7029 B11R0.4 C=CCCCCNC(C)CCC 9cd39e27a79c80531c0cf266d819487e [0,2,0,0,0,0|1,0,1]=4 7030 B11R0.4 C=CCCCCN[C@@H](C)CCC 2f5d5818cabda48fca5e2d1c631c97b8 [0,2,0,0,0,0|1,0,1]=4 7031 B11R0.4 C=CCCCCOC(=S)CCC 460dc5e4b9fd884329c2736daed4e630 [0,2,0,0,0,0|0,0,2]=4 7032 B11R0.4 C=CCCCCOC(C)CCC 904e41310c8cbc0a681a15ec74fa5970 [0,2,0,0,0,0|0,0,1]=3 7033 B11R0.4 C=CCCCCOC(C)COC 8841bd690403bb4fec21ee49aa4c3eff [0,2,0,0,0,0|1,0,1]=4 7034 B11R0.4 C=CCCCCOC(C)CSC 32f620bf78a5a1c21dc493457f7ee400 [0,2,0,0,0,0|1,0,1]=4 7035 B11R0.4 C=CCCCCO[C@@H](C)CCC b5154b440897ea912ac351b6a59d7e56 [0,2,0,0,0,0|0,0,1]=3 7036 B11R0.4 C=CCCCCO[C@@H](C)COC ddbf71e5c1e03ae5b50507bc47776dcf [0,2,0,0,0,0|1,0,1]=4 7037 B11R0.4 C=CCCCCO[C@H](C)CCC 51cb3dae593cfbcf97789a914d8f0b9d [0,2,0,0,0,0|0,0,1]=3 7038 B11R0.4 C=CCCCCO[C@H](C)COC 5745ec0ad202ba6b530763414bc7980e [0,2,0,0,0,0|1,0,1]=4 7039 B11R0.4 C=CCCCNCC(C)CCC 5da2a82cea8edc05694a0788f572c528 [0,2,0,0,0,0|1,0,1]=4 7040 B11R0.4 C=CCCCNCC(O)CCC b3f55a3c3a9e20888ca50ac8e011e5f3 [0,2,0,0,0,0|1,0,1]=4 7041 B11R0.4 C=CCCCOCC(=O)CCC 11c403cf194cee121202a22f8b5f7c50 [0,2,0,0,0,0|0,0,2]=4 7042 B11R0.4 C=CCCCOCC(C)CCC 41cede22e690db94385f3e2d63c791a0 [0,2,0,0,0,0|0,0,1]=3 7043 B11R0.4 C=CCCCOCC(C)COC 63da874ebd480698867bfb9b7790548d [0,2,0,0,0,0|0,0,2]=4 7044 B11R0.4 C=CCCCOCC(C)OCC 29714bac0e04fecd3fef6036dd10486a [0,2,0,0,0,0|0,0,2]=4 7045 B11R0.4 C=CCCCOC[C@@H](C)COC f91fed7c1059fc0ec820da67f371e752 [0,2,0,0,0,0|0,0,2]=4 7046 B11R0.4 C=CCCCOC[C@@H](O)CCO 82261b6bfa7bbb025898e9ad4e60cac6 [0,2,0,0,0,0|0,0,2]=4 7047 B11R0.4 C=CCCOCCC(C)CCC cfc3768d07970d596cae4fe4187d6ef3 [0,2,0,0,0,0|0,0,2]=4 7048 B11R0.4 C=CCCOCCC(S)CCC af67d0ac0992028a3b50b10c4609a7c8 [0,2,0,0,0,0|0,0,2]=4 7049 B11R0.4 C=CCN(C)CCOCCCC a2cca81d5233846393787b2b8ace057b [0,2,0,0,0,0|0,0,2]=4 7050 B11R0.4 C=CCOCCOC(C)CCC edd5862a5baf84838af968a16cbcc982 [0,2,0,0,0,0|0,0,2]=4 7051 B11R0.4 C=CCOCCO[C@@H](C)CCC 23a55fcebf0125fac1369f1b3293a7f4 [0,2,0,0,0,0|0,0,2]=4 7052 B11R0.4 C=CCOCCO[C@H](C)CCC 17e997879191589fdfaea543f574b982 [0,2,0,0,0,0|0,0,2]=4 7053 B11R0.4 C=CC[C@@H](C)OCCCCCC d9f843f0024c7043ce7697b98a22de56 [0,2,0,0,0,0|0,0,2]=4 7054 B11R0.4 C=CC[C@@H](C)OCCCCCF aa367528fb68335086f39babb7e8d785 [0,2,0,0,0,0|0,0,2]=4 7055 B11R0.4 C=CC[C@@H](C)OCCCCOC 791f238b404870bcc2f257b3927e4676 [0,2,0,0,0,0|0,0,2]=4 7056 B11R0.4 C=CC[C@@H](C)OCCCOCC a7acf941b6cd327e8971e8ae57b7a3c5 [0,2,0,0,0,0|0,0,2]=4 7057 B11R0.4 C=CC[C@@H](C)OCCCSCC 2eb5f2d6ebef16b7189e85e9e34b89dc [0,2,0,0,0,0|0,0,2]=4 7058 B11R0.4 C=CC[C@@H](C)OCCOCCC e832ba2efb93c16b81aeccd4bc5e984a [0,2,0,0,0,0|0,0,2]=4 7059 B11R0.4 C=CC[C@@H](C)OCOCCCC 36afa37ec80ec4a5b40650998ecfb53d [0,2,0,0,0,0|0,0,2]=4 7060 B11R0.4 C=CC[C@H](C)OCCCCCC f314d1e651fdeed27bc0886b7271d505 [0,2,0,0,0,0|0,0,2]=4 7061 B11R0.4 C=CC[C@H](C)OCCCCCF 2608e4f172830844b24e7462c0e79621 [0,2,0,0,0,0|0,0,2]=4 7062 B11R0.4 C=CC[C@H](C)OCCCCOC 7249bf6423aeb52b971c4b605ee5e17b [0,2,0,0,0,0|0,0,2]=4 7063 B11R0.4 C=CC[C@H](C)OCCCOCC a7b928aac1d462b17b982d680ccfeaf2 [0,2,0,0,0,0|0,0,2]=4 7064 B11R0.4 C=CC[C@H](C)OCCCSCC 9585daa874dc804b99f0a8219ac35f88 [0,2,0,0,0,0|0,0,2]=4 7065 B11R0.4 C=CC[C@H](C)OCCOCCC c7272c9b4ef151981b48d2d43558588d [0,2,0,0,0,0|0,0,2]=4 7066 B11R0.4 C=CC[C@H](C)OCOCCCC 3dec9840aefe6656f37fa249355aabb0 [0,2,0,0,0,0|0,0,2]=4 7067 B11R0.4 C=COCCOCC(C)CCC 30ea70d3abbb303b1de83f6e82c35aa3 [0,2,0,0,0,0|0,0,2]=4 7068 B11R0.4 CC#CC(C)OCCCCCC 3519d99e79f5341ca43336e67f9176e7 [0,2,0,0,0,0|0,0,2]=4 7069 B11R0.4 CC#CC(C)OCCCCCF dc47fced9e6362b09a311276d7439d23 [0,2,0,0,0,0|0,0,2]=4 7070 B11R0.4 CC#CC(C)OCCCCOC 65313c6307153fd2f59be728dec6e21b [0,2,0,0,0,0|0,0,2]=4 7071 B11R0.4 CC#CC(C)OCCCOCC d897531e0ff18bf619681de381629b1c [0,2,0,0,0,0|0,0,2]=4 7072 B11R0.4 CC#CC(C)OCCCSCC c209e140e0f457aede65e2e942bdfca3 [0,2,0,0,0,0|0,0,2]=4 7073 B11R0.4 CC#CC(C)OCCOCCC d7b11e4cb81ba28be8a7093a3c437a6e [0,2,0,0,0,0|0,0,2]=4 7074 B11R0.4 CC#CC(C)OCOCCCC 8884dd76ad23b5803ec34015042c80df [0,2,0,0,0,0|0,0,2]=4 7075 B11R0.4 CC#CCCCOC(C)CCC 33fa9ac1fdf590ac13796f40e1f1d80f [0,2,0,0,0,0|0,0,1]=3 7076 B11R0.4 CC#CCCCOC(C)COC 5c864f11bd36dac1ad70a8968cd9a3d8 [0,2,0,0,0,0|1,0,1]=4 7077 B11R0.4 CC#CCCCOC(C)CSC ef9f38bf45eacbbcdb1c9afcb8e33d9c [0,2,0,0,0,0|1,0,1]=4 7078 B11R0.4 CC#CCCOCC(=O)CCC 41b88f02c1300cf39e191c1d9d586023 [0,2,0,0,0,0|0,0,2]=4 7079 B11R0.4 CC#CCCOCC(C)CCC 4bd6e63b0355bc9676824384f14160e8 [0,2,0,0,0,0|0,0,1]=3 7080 B11R0.4 CC#CCCOC[C@@H](O)CCO 1ca05b5dee853008550f97d1f6539f85 [0,2,0,0,0,0|0,0,2]=4 7081 B11R0.4 CC#CCOCCC(S)CCC 0e0803653d7b493d190619619147e8a7 [0,2,0,0,0,0|0,0,2]=4 7082 B11R0.4 CC(CC#N)OCCCCCF d3599aa34b9ad882c43cc869fcf901fe [0,2,0,0,0,0|1,0,1]=4 7083 B11R0.4 CC(CCO)CNCCCCF 7947b7c05449194cb64969d3c1ee6802 [0,2,0,0,0,0|2,0,0]=4 7084 B11R0.4 CC(CCO)CNCCCCO 5059202a05992fcf8c04db8e860e2004 [0,2,0,0,0,0|2,0,0]=4 7085 B11R0.4 CC(CCO)NCCCCCCl 121d3d37fbfad5bcfc31aa4ce07be760 [0,2,0,0,0,0|2,0,0]=4 7086 B11R0.4 CC(CCO)NCCCCCF 5d2d070165685beaee5790948ecd3fe3 [0,2,0,0,0,0|2,0,0]=4 7087 B11R0.4 CC(CCO)NCCCCCO e6b2f342beb2df5b08f55cde4b467ab2 [0,2,0,0,0,0|2,0,0]=4 7088 B11R0.4 CC/C=C/CCOC(C)CCC 50c9714d31d7e32c45b3a073bcf57f7b [0,2,0,0,0,0|0,0,1]=3 7089 B11R0.4 CC/C=C/CCOC(C)COC cac2b0fe42784bce3987b7f3a87e0d31 [0,2,0,0,0,0|1,0,1]=4 7090 B11R0.4 CC/C=C/CNCC(O)CCC 53e6479e06b395e406fd3f685b562507 [0,2,0,0,0,0|1,0,1]=4 7091 B11R0.4 CC/C=C/COCC(=O)CCC 0ee30c75f92cfc997a167a875da0ee84 [0,2,0,0,0,0|0,0,2]=4 7092 B11R0.4 CC/C=C/COCC(C)CCC 77e69610c42c21f1391283c26c6a31fd [0,2,0,0,0,0|0,0,1]=3 7093 B11R0.4 CC/C=C/COCC(C)COC a2fdaddb9f2d13177c00920dfbd3af2e [0,2,0,0,0,0|0,0,2]=4 7094 B11R0.4 CC/C=C/COCC(C)OCC 87084c0acb3384a1026d07694d2dc91d [0,2,0,0,0,0|0,0,2]=4 7095 B11R0.4 CC/C=C/COC[C@@H](C)COC 071298330c25162e8042f09c713bbc57 [0,2,0,0,0,0|0,0,2]=4 7096 B11R0.4 CC/C=C/COC[C@@H](O)CCO c6ea90290f08c38500892afb584f2516 [0,2,0,0,0,0|0,0,2]=4 7097 B11R0.4 CC/C=C\CCNC(C)CCC 438130b12849341c6b95563a8f1a2114 [0,2,0,0,0,0|1,0,1]=4 7098 B11R0.4 CC/C=C\CCN[C@@H](C)CCC 129a6ec43a834fc664f2aaa2b4073980 [0,2,0,0,0,0|1,0,1]=4 7099 B11R0.4 CC/C=C\CCOC(=S)CCC 8664b7e83444405155dedb5fe22a1676 [0,2,0,0,0,0|0,0,2]=4 7100 B11R0.4 CC/C=C\CCOC(C)CCC 4d32216db9adefae9e2d273dc5ae1e26 [0,2,0,0,0,0|0,0,1]=3 7101 B11R0.4 CC/C=C\CCOC(C)COC 3b32490f4b84e286cb3f2af7e640808a [0,2,0,0,0,0|1,0,1]=4 7102 B11R0.4 CC/C=C\CCOC(C)CSC ec175cf73235c65c89a8ed2130ad63e4 [0,2,0,0,0,0|1,0,1]=4 7103 B11R0.4 CC/C=C\CCO[C@@H](C)CCC faacc9874935040b4b9721a8253fdf47 [0,2,0,0,0,0|0,0,1]=3 7104 B11R0.4 CC/C=C\CCO[C@@H](C)COC def394d7c4f6d5bbd8aec0538b9abb54 [0,2,0,0,0,0|1,0,1]=4 7105 B11R0.4 CC/C=C\CCO[C@H](C)CCC 3a30f30f122410c5b8ca02be0537e8d1 [0,2,0,0,0,0|0,0,1]=3 7106 B11R0.4 CC/C=C\CCO[C@H](C)COC a93333a5be974e450152dc2e0841b685 [0,2,0,0,0,0|1,0,1]=4 7107 B11R0.4 CC/C=C\COCC(=O)CCC fa5eb9ed59652a0c74b582d27c0bc384 [0,2,0,0,0,0|0,0,2]=4 7108 B11R0.4 CC/C=C\COCC(C)CCC 4537f8018196cae9997e4f9e29f297a6 [0,2,0,0,0,0|0,0,1]=3 7109 B11R0.4 CC/C=C\COC[C@@H](O)CCO 5fc8de47c587fc8d1161c5c8b1f7e0da [0,2,0,0,0,0|0,0,2]=4 7110 B11R0.4 CC=C=CCCOC(C)CCC 76ef1e89b53f914907ab9611933f1ef3 [0,2,0,0,0,0|0,0,2]=4 7111 B11R0.4 CC=CC(C)OCCCCCC ab2cb1ad90fed96f656c5c2e7f788d55 [0,2,0,0,0,0|0,0,2]=4 7112 B11R0.4 CC=CC(C)OCCCCCF 3d4386fbe9df591aae2428cd6c894d1b [0,2,0,0,0,0|0,0,2]=4 7113 B11R0.4 CC=CC(C)OCCCCOC 16fa3253e39a79db2e9030e09fc35cbf [0,2,0,0,0,0|0,0,2]=4 7114 B11R0.4 CC=CC(C)OCCCOCC a5c4805e282b044adb1dabc4ab6667e9 [0,2,0,0,0,0|0,0,2]=4 7115 B11R0.4 CC=CC(C)OCCCSCC a57cb7f9767671dabc9614efd6debdc3 [0,2,0,0,0,0|0,0,2]=4 7116 B11R0.4 CC=CC(C)OCCOCCC dcc2a9bf81d7ef0aedaabd1b942362c6 [0,2,0,0,0,0|0,0,2]=4 7117 B11R0.4 CC=CC(C)OCOCCCC 1bbb0dd16e759028030ee3895d638937 [0,2,0,0,0,0|0,0,2]=4 7118 B11R0.4 CC=CCCCOC(C)CCC e2559d18a78240142453497cf7bc4f92 [0,2,0,0,0,0|0,0,1]=3 7119 B11R0.4 CC=CCCCOC(C)COC 1f3975c23221c3dbe22138eb60f86bca [0,2,0,0,0,0|1,0,1]=4 7120 B11R0.4 CCC#CCCOC(C)CCC 695327d2e3e74451eaa58d18e0c9d4de [0,2,0,0,0,0|0,0,1]=3 7121 B11R0.4 CCC#CCCOC(C)COC 6872dd62c3c1dc02417c42ac7772b830 [0,2,0,0,0,0|1,0,1]=4 7122 B11R0.4 CCC#CCNCC(O)CCC 3e79933bc6c86c1d9d4bcc2a87102fc3 [0,2,0,0,0,0|1,0,1]=4 7123 B11R0.4 CCC#CCOCC(=O)CCC f9c742e7feaedef1561d60ed0acfa352 [0,2,0,0,0,0|0,0,2]=4 7124 B11R0.4 CCC#CCOCC(C)CCC f8610e5ae6da993a8b6cadb5747b646e [0,2,0,0,0,0|0,0,1]=3 7125 B11R0.4 CCC#CCOC[C@@H](O)CCO 5c270067cfae9a7b3862cd1f8f44b391 [0,2,0,0,0,0|0,0,2]=4 7126 B11R0.4 CCC/C=C/CNC(C)CCC 226bce4a5bb9a39def4653804163f5de [0,2,0,0,0,0|1,0,1]=4 7127 B11R0.4 CCC/C=C/CN[C@@H](C)CCC 89012ac5b681d8a15f30455056d053ec [0,2,0,0,0,0|1,0,1]=4 7128 B11R0.4 CCC/C=C/COC(=S)CCC 84e6bd98219cbc3305a88b7fb9a62b9a [0,2,0,0,0,0|0,0,2]=4 7129 B11R0.4 CCC/C=C/COC(C)CCC 52bf4cfce8f73483f2ae3b92b65143e4 [0,2,0,0,0,0|0,0,1]=3 7130 B11R0.4 CCC/C=C/COC(C)COC e1a2f9a39de329922245305f2d2b5e18 [0,2,0,0,0,0|1,0,1]=4 7131 B11R0.4 CCC/C=C/COC(C)CSC 61651bea8f4cda2d826244e030880353 [0,2,0,0,0,0|1,0,1]=4 7132 B11R0.4 CCC/C=C/CO[C@@H](C)CCC c498ed3ad20023733b9cf054ca443a58 [0,2,0,0,0,0|0,0,1]=3 7133 B11R0.4 CCC/C=C/CO[C@@H](C)COC c2ce194ecbfdce2ee6d379306714ffb8 [0,2,0,0,0,0|1,0,1]=4 7134 B11R0.4 CCC/C=C/CO[C@H](C)CCC 14667032e5e89b0073a1b7bc8003c6be [0,2,0,0,0,0|0,0,1]=3 7135 B11R0.4 CCC/C=C/CO[C@H](C)COC 8350059f99da76e2aacc3589f13ba059 [0,2,0,0,0,0|1,0,1]=4 7136 B11R0.4 CCC/C=C\CNC(C)CCC bc3c436850fbc3a54a6391a96beea55c [0,2,0,0,0,0|1,0,1]=4 7137 B11R0.4 CCC/C=C\CN[C@@H](C)CCC f0802a3d80dcc54b7538c54a055dc51d [0,2,0,0,0,0|1,0,1]=4 7138 B11R0.4 CCC/C=C\COC(=S)CCC f5e4e90cebb3e70405fb00f0e0f0da98 [0,2,0,0,0,0|0,0,2]=4 7139 B11R0.4 CCC/C=C\COC(C)CCC 122230b083304d85fc645e1188c3e495 [0,2,0,0,0,0|0,0,1]=3 7140 B11R0.4 CCC/C=C\COC(C)COC db46c6f140e89a0c6825581df4e13b57 [0,2,0,0,0,0|1,0,1]=4 7141 B11R0.4 CCC/C=C\COC(C)CSC b34962a1af00b26a887302b860bca933 [0,2,0,0,0,0|1,0,1]=4 7142 B11R0.4 CCC/C=C\CO[C@@H](C)CCC 90724833647d30ebd94bfb3ec8533ddf [0,2,0,0,0,0|0,0,1]=3 7143 B11R0.4 CCC/C=C\CO[C@@H](C)COC 6310fad09426d4c93e99170e2beac1f7 [0,2,0,0,0,0|1,0,1]=4 7144 B11R0.4 CCC/C=C\CO[C@H](C)CCC 0232858e0a19aea211802d7753f8acad [0,2,0,0,0,0|0,0,1]=3 7145 B11R0.4 CCC/C=C\CO[C@H](C)COC 573cfb9e1a51a24dbc93e467a1d54409 [0,2,0,0,0,0|1,0,1]=4 7146 B11R0.4 CCCC#CCOC(C)CCC fe4bf0b39d8a7b4381eafa76f513bb9b [0,2,0,0,0,0|0,0,1]=3 7147 B11R0.4 CCCC#CCOC(C)COC 77dfe35b463b73c585db02e470766e23 [0,2,0,0,0,0|1,0,1]=4 7148 B11R0.4 CCCC(=O)CNCCCCCl eab75eb76e050ff606d45cb462dfc619 [0,2,0,0,0,0|1,0,1]=4 7149 B11R0.4 CCCC(=O)CNCCCCO ad77a490abf61282724383d41a85bcf1 [0,2,0,0,0,0|1,0,1]=4 7150 B11R0.4 CCCC(=O)CNCCCCS e85bc6bf694af912c711da19bb5a782b [0,2,0,0,0,0|1,0,1]=4 7151 B11R0.4 CCCC(=O)CNCCCOC 0e59969c240f5b3912e3994d8101cd6e [0,2,0,0,0,0|1,0,1]=4 7152 B11R0.4 CCCC(=O)CNCCCSC e56c7955cad9c9867d5d9d758ac8a8a8 [0,2,0,0,0,0|1,0,1]=4 7153 B11R0.4 CCCC(=O)CNCCOCC bd26703d718b449a7cdecdca03a5ba7b [0,2,0,0,0,0|1,0,1]=4 7154 B11R0.4 CCCC(=O)CNCCSCC 1b1ae1141fffdbaa6cd48f1962c5627f [0,2,0,0,0,0|1,0,1]=4 7155 B11R0.4 CCCC(=O)COCCCC#N 42a07ee847d28b0b7b97cf65a0a7d85d [0,2,0,0,0,0|0,0,2]=4 7156 B11R0.4 CCCC(=O)COCCCC=O 1060d82f95085d8111c535d571bbd15b [0,2,0,0,0,0|0,0,2]=4 7157 B11R0.4 CCCC(=O)COCCCCF 3974a9388e326593932de6d27a247031 [0,2,0,0,0,0|0,0,1]=3 7158 B11R0.4 CCCC(=O)COCCCCS 16df68ac857aff6b4b10c5ebb32168f0 [0,2,0,0,0,0|0,0,1]=3 7159 B11R0.4 CCCC(=O)COCCCOC ab1fda823cbfd31b40ec505f8a02fb90 [0,2,0,0,0,0|0,0,1]=3 7160 B11R0.4 CCCC(=O)COCCCSC cfd4afd2cc568ece7bfedea8b196affd [0,2,0,0,0,0|0,0,1]=3 7161 B11R0.4 CCCC(=O)COCCOCC db6a0d3e1658870e3866c6e59454cbb4 [0,2,0,0,0,0|0,0,1]=3 7162 B11R0.4 CCCC(=O)COCCSCC 26f61519af9ec29bed69eb74c0946882 [0,2,0,0,0,0|0,0,1]=3 7163 B11R0.4 CCCC(=O)NCCCCCCl b271418140b6e6dcb073001e7c2d35c7 [0,2,0,0,0,0|1,0,1]=4 7164 B11R0.4 CCCC(=O)NCCCCCO a305ba074b2c53f5334878718cbd2dcc [0,2,0,0,0,0|1,0,1]=4 7165 B11R0.4 CCCC(=O)NCCCCOC a3d0826585efa4ad9ade3f6af3c27b95 [0,2,0,0,0,0|1,0,1]=4 7166 B11R0.4 CCCC(=O)NCCCCSC 3b479cda40bea600c31f8c7e38d0bedc [0,2,0,0,0,0|1,0,1]=4 7167 B11R0.4 CCCC(=O)NCCCOCC c146de4c9789221fd3a6b0995a45bc51 [0,2,0,0,0,0|1,0,1]=4 7168 B11R0.4 CCCC(=O)OCCOCCF 41623b129df8b661e0661c46ca996455 [0,2,0,0,0,0|1,0,1]=4 7169 B11R0.4 CCCC(=O)OCCOCCS e90aaa69baefd496d90e54eb86ac96d3 [0,2,0,0,0,0|1,0,1]=4 7170 B11R0.4 CCCC(=O)OCCOCOC b7d59abffd1800995f07b9169f358dd9 [0,2,0,0,0,0|1,0,1]=4 7171 B11R0.4 CCCC(=O)OCCOCSC 395a57442bac60125264ec8041b1e3ee [0,2,0,0,0,0|1,0,1]=4 7172 B11R0.4 CCCC(=O)OCNCCCCl 63da45e077f6d5a8d6ce9b8e705a2044 [0,2,0,0,0,0|1,0,1]=4 7173 B11R0.4 CCCC(=O)OCNCCCO 9409798fe2f3d69dc3eb685e1892a1db [0,2,0,0,0,0|1,0,1]=4 7174 B11R0.4 CCCC(=O)OCNCCOC 7d3383f0575bdbac113ab76f33ccb9a8 [0,2,0,0,0,0|1,0,1]=4 7175 B11R0.4 CCCC(=O)OCNCCSC be5ffabf1f57ad825876e222eb633770 [0,2,0,0,0,0|1,0,1]=4 7176 B11R0.4 CCCC(=O)OCOCCCF 7f139c47c4a36b3b54bd8d562fd79349 [0,2,0,0,0,0|1,0,1]=4 7177 B11R0.4 CCCC(=O)OCOCCCS 02dbc01f116bf4da9d509fac1ef64237 [0,2,0,0,0,0|1,0,1]=4 7178 B11R0.4 CCCC(=O)OCOCCOC 01893cc0b8f0194905025b2a54e52a40 [0,2,0,0,0,0|1,0,1]=4 7179 B11R0.4 CCCC(=O)OCOCCSC b4315be43fe2c8b9e9b721691d398a01 [0,2,0,0,0,0|1,0,1]=4 7180 B11R0.4 CCCC(=S)OCCCCC#N 2863c35656464a12ebaa2c909b48ceac [0,2,0,0,0,0|0,0,2]=4 7181 B11R0.4 CCCC(=S)OCCCCC=O 1be0f31eef201e6b56f13433074fe076 [0,2,0,0,0,0|0,0,2]=4 7182 B11R0.4 CCCC(=S)OCCCCCF 13c1e0d733b0db29547037cd5aa9451d [0,2,0,0,0,0|0,0,1]=3 7183 B11R0.4 CCCC(=S)OCCCCOC 539fdd2f0a16fc75a719294f41b67370 [0,2,0,0,0,0|0,0,1]=3 7184 B11R0.4 CCCC(=S)OCCCOCC a1d861d8402c7ac3a3a543a988eb9adc [0,2,0,0,0,0|0,0,1]=3 7185 B11R0.4 CCCC(=S)OCCCSCC 243bff7ce32c0ac7d9dc257fef4d6a42 [0,2,0,0,0,0|0,0,1]=3 7186 B11R0.4 CCCC(=S)OCCOCOC 0cd4a6843b6938b837893ea7a2fec102 [0,2,0,0,0,0|1,0,1]=4 7187 B11R0.4 CCCC(=S)OCOCCOC e3971368ff30d661e72594fc9578ff31 [0,2,0,0,0,0|1,0,1]=4 7188 B11R0.4 CCCC(C)CCCOCCF 5e54f689e9da370fc0980ed79bd439e7 [0,2,0,0,0,0|2,0,0]=4 7189 B11R0.4 CCCC(C)CCCOCCS ed4895a98c09bc0934091d2055d8862d [0,2,0,0,0,0|2,0,0]=4 7190 B11R0.4 CCCC(C)CCCOCOC 6d153c4b7e65f6a81dfd2193583fa6f8 [0,2,0,0,0,0|2,0,0]=4 7191 B11R0.4 CCCC(C)CCCOCSC 29ce8a62266bcc8fbd76e4f7a6ce78fe [0,2,0,0,0,0|2,0,0]=4 7192 B11R0.4 CCCC(C)CCOCCC#N 3e2372947c5d815f43cb924999daf599 [0,2,0,0,0,0|1,0,1]=4 7193 B11R0.4 CCCC(C)CCOCCC=O d56669db9201dbb237f5b6078b5caecc [0,2,0,0,0,0|1,0,1]=4 7194 B11R0.4 CCCC(C)CCOCCCF 5124dc58198000224065e030fa0a9dbb [0,2,0,0,0,0|1,0,0]=3 7195 B11R0.4 CCCC(C)CCOCCCS 2bd8f211a8e93727e3f0905a4c42df15 [0,2,0,0,0,0|1,0,0]=3 7196 B11R0.4 CCCC(C)CCOCCOC 6fbb44e4d7391613ed8cc69b14c2061a [0,2,0,0,0,0|1,0,0]=3 7197 B11R0.4 CCCC(C)CCOCCSC 100e9e719da55ff2612ad47e780bb070 [0,2,0,0,0,0|1,0,0]=3 7198 B11R0.4 CCCC(C)CCOCOCC ecac84d2e97a9625ab40417a028c68a7 [0,2,0,0,0,0|1,0,0]=3 7199 B11R0.4 CCCC(C)CNCCCC#N a03e58b0bba010cf09dc6a747023520f [0,2,0,0,0,0|1,0,1]=4 7200 B11R0.4 CCCC(C)CNCCCCCl b88ddf586b2fbbb868d258405f94eef3 [0,2,0,0,0,0|1,0,0]=3 7201 B11R0.4 CCCC(C)CNCCCCO 16ed810509952b5802a91fffe7eb7616 [0,2,0,0,0,0|1,0,0]=3 7202 B11R0.4 CCCC(C)CNCCCCS 5bb254c924c5a3e3dbda995831cd1ed8 [0,2,0,0,0,0|1,0,0]=3 7203 B11R0.4 CCCC(C)CNCCCOC a293d0b39a251f5bbcc300329fa5dcac [0,2,0,0,0,0|1,0,0]=3 7204 B11R0.4 CCCC(C)CNCCCSC 358a8c44df9baa2c860bf4091fe0e1af [0,2,0,0,0,0|1,0,0]=3 7205 B11R0.4 CCCC(C)CNCCOCC 2086cdc276f604ad6008cb2c5cbd4dd8 [0,2,0,0,0,0|1,0,0]=3 7206 B11R0.4 CCCC(C)CNCCSCC fd9af2d1c3a3a6637aae882336dec41a [0,2,0,0,0,0|1,0,0]=3 7207 B11R0.4 CCCC(C)COCCCC#N cad8701ca75b330a7700c70fad966888 [0,2,0,0,0,0|0,0,1]=3 7208 B11R0.4 CCCC(C)COCCCC=O 6827d41ebde69c68bc1567f5a2577f73 [0,2,0,0,0,0|0,0,1]=3 7209 B11R0.4 CCCC(C)COCCCCF cd4af7ff3f0bc959fcf9ebbcc893455f [0,2,0,0,0,0|0,0,0]=2 7210 B11R0.4 CCCC(C)COCCCCS f1f042c93c44cf15ce9c2d9836136df7 [0,2,0,0,0,0|0,0,0]=2 7211 B11R0.4 CCCC(C)COCCCOC b2e306e547636908e0692db0879af42d [0,2,0,0,0,0|0,0,0]=2 7212 B11R0.4 CCCC(C)COCCCSC 6ae2050a146f0b80da2ad16c1aa6f6c3 [0,2,0,0,0,0|0,0,0]=2 7213 B11R0.4 CCCC(C)COCCNC=O e7057c5695ce4b7392d9c72d54a91568 [0,2,0,0,0,0|1,0,1]=4 7214 B11R0.4 CCCC(C)COCCOC=O e2fc4df1464274d21ecd480519cad834 [0,2,0,0,0,0|1,0,1]=4 7215 B11R0.4 CCCC(C)COCCOCC e0ed2c5ed8daf98da0dd4135fda901c7 [0,2,0,0,0,0|0,0,0]=2 7216 B11R0.4 CCCC(C)COCCSCC ee0c3dcb868faf17bb2edfd25f3fc94f [0,2,0,0,0,0|0,0,0]=2 7217 B11R0.4 CCCC(C)NCCCCC#N 1017d9fe245d7623f7280cd03b71396c [0,2,0,0,0,0|1,0,1]=4 7218 B11R0.4 CCCC(C)NCCCCC=O bf03233d6dfc80a7f919f7e66782c3dc [0,2,0,0,0,0|1,0,1]=4 7219 B11R0.4 CCCC(C)NCCCCCCl 33ab14a058e1fcef505e067708d53a82 [0,2,0,0,0,0|1,0,0]=3 7220 B11R0.4 CCCC(C)NCCCCCF 7e37d4d8d8ebc575a7c6db7941f6ab9f [0,2,0,0,0,0|1,0,0]=3 7221 B11R0.4 CCCC(C)NCCCCCO 42022f2d2382cced620bf4dacd7724d2 [0,2,0,0,0,0|1,0,0]=3 7222 B11R0.4 CCCC(C)NCCCCOC 934ef2763cda7c5fece951ace8f4829f [0,2,0,0,0,0|1,0,0]=3 7223 B11R0.4 CCCC(C)NCCCCON fc27f9fb055d50fb9ad9cf2720ba632d [0,2,0,0,0,0|2,0,0]=4 7224 B11R0.4 CCCC(C)NCCCCSC 4266871fed6295ebdbb3f579393bc35a [0,2,0,0,0,0|1,0,0]=3 7225 B11R0.4 CCCC(C)NCCCOCC df05e9177587024561c74ae1a3207ada [0,2,0,0,0,0|1,0,0]=3 7226 B11R0.4 CCCC(C)NCCCSCC 5ed3ec64e5893ad83461ead76da5ccf5 [0,2,0,0,0,0|1,0,0]=3 7227 B11R0.4 CCCC(C)NCCOCCO 7608e9f9676082b4d0341c2bfbef636f [0,2,0,0,0,0|2,0,0]=4 7228 B11R0.4 CCCC(C)NCCOCCS ed9e93f1bba9a8feb4e2d40420bc1d33 [0,2,0,0,0,0|2,0,0]=4 7229 B11R0.4 CCCC(C)NCCOCOC 3bb42b4f346f195de6a01d03f6fdf7c5 [0,2,0,0,0,0|2,0,0]=4 7230 B11R0.4 CCCC(C)NCCSCCO a56e6bd7cd1c006280bafea7ac0b2feb [0,2,0,0,0,0|2,0,0]=4 7231 B11R0.4 CCCC(C)NCOCCOC b468b7baa75bfcfac7b7b37063cd6361 [0,2,0,0,0,0|1,0,0]=3 7232 B11R0.4 CCCC(C)OCCCCC#N 0495568ea1029a22b9c110e94f89a661 [0,2,0,0,0,0|0,0,1]=3 7233 B11R0.4 CCCC(C)OCCCCC=O c0220f3208498b671494edc7dc378c36 [0,2,0,0,0,0|0,0,1]=3 7234 B11R0.4 CCCC(C)OCCCCCF 4da4ce03e76be5a5169cbc6bf5161b81 [0,2,0,0,0,0|0,0,0]=2 7235 B11R0.4 CCCC(C)OCCCCOC 623038ded2cd908bf44b18471915e504 [0,2,0,0,0,0|0,0,0]=2 7236 B11R0.4 CCCC(C)OCCCCSC 7e09152fdbbfecdc423fd28ee6f4342f [0,2,0,0,0,0|0,0,0]=2 7237 B11R0.4 CCCC(C)OCCCOCC 01c338ca32fc1899c11db4908d4e8a0f [0,2,0,0,0,0|0,0,0]=2 7238 B11R0.4 CCCC(C)OCCCSCC c67e99144cb2114dfb09b937310057f9 [0,2,0,0,0,0|0,0,0]=2 7239 B11R0.4 CCCC(C)OCCOCC#N 71fcc7087e21bba35ffb492847c21132 [0,2,0,0,0,0|1,0,1]=4 7240 B11R0.4 CCCC(C)OCCOCC=O 3c1c2f3573a6c712344c97a7b73dbca9 [0,2,0,0,0,0|1,0,1]=4 7241 B11R0.4 CCCC(C)OCCOCCF 5dd3141695e7b105e3a29c878e758ca4 [0,2,0,0,0,0|1,0,0]=3 7242 B11R0.4 CCCC(C)OCCOCCS f4206bcf36c5bb330be14bc894c32da8 [0,2,0,0,0,0|1,0,0]=3 7243 B11R0.4 CCCC(C)OCCOCOC 9cb1dd6e5650b22458448c6bff00ae12 [0,2,0,0,0,0|1,0,0]=3 7244 B11R0.4 CCCC(C)OCOCCOC 5037c47eaee500e588cdafe97b55a216 [0,2,0,0,0,0|1,0,0]=3 7245 B11R0.4 CCCC(O)CNCCCC#N 6a25ec93b0b57b01cf3d04e6200af975 [0,2,0,0,0,0|1,0,1]=4 7246 B11R0.4 CCCC(O)CNCCCC=O 79ea2d6d3698353fd272dc1decbb7e08 [0,2,0,0,0,0|1,0,1]=4 7247 B11R0.4 CCCC(O)CNCCCCF cd932467cdae7a3b0dd59466774f84c3 [0,2,0,0,0,0|1,0,0]=3 7248 B11R0.4 CCCC(O)CNCCCCO 40865fc06a718807fd947253975681ea [0,2,0,0,0,0|1,0,0]=3 7249 B11R0.4 CCCC(O)CNCCCOC 197a37669d872c1a4f1efb739e9bf1d9 [0,2,0,0,0,0|1,0,0]=3 7250 B11R0.4 CCCC(O)CNCCCSC 98abd138fe943ecbb20ec0f47ce3497c [0,2,0,0,0,0|1,0,0]=3 7251 B11R0.4 CCCC(O)CNCCOCC 1d803b843d39ce54f6aedd8dc4a2b80c [0,2,0,0,0,0|1,0,0]=3 7252 B11R0.4 CCCC(O)CNCCSCC b5038a31b1dc66dad17dd75230106076 [0,2,0,0,0,0|1,0,0]=3 7253 B11R0.4 CCCC(S)CCOCCC#N 2ce276d9dc638f8704ae064e87b8660f [0,2,0,0,0,0|1,0,1]=4 7254 B11R0.4 CCCC(S)CCOCCC=O c42e8bf19d80febbe8e2da323f536cbc [0,2,0,0,0,0|1,0,1]=4 7255 B11R0.4 CCCC(S)CCOCCCF 808968ea732b51e35bc55770740a36c7 [0,2,0,0,0,0|1,0,0]=3 7256 B11R0.4 CCCC(S)CCOCCCS 0b556a2ddb4eedf9d401722bf7a6902b [0,2,0,0,0,0|1,0,0]=3 7257 B11R0.4 CCCC(S)CCOCCOC 8d61c73af6e3279d67dc574b9c498451 [0,2,0,0,0,0|1,0,0]=3 7258 B11R0.4 CCCC(S)CCOCCSC ae6b62ff6133dd0fd49c986831c45085 [0,2,0,0,0,0|1,0,0]=3 7259 B11R0.4 CCCC(S)CCOCOCC d84bb84353930f3815dbdf24ba692855 [0,2,0,0,0,0|1,0,0]=3 7260 B11R0.4 CCCC/C=C/CN(C)CCC cc6add152a7932c3a138690cc1827a3a [0,2,0,0,0,0|1,0,1]=4 7261 B11R0.4 CCCC/C=C\CN(C)CCC ce73dbe96752d5655834c23d831e3006 [0,2,0,0,0,0|1,0,1]=4 7262 B11R0.4 CCCCCCCC(C)OCC 55dc2743b0b446cf9a6056de2b74c617 [0,2,0,0,0,0|1,0,0]=3 7263 B11R0.4 CCCCCCCC(C)OCF 3fba61538d49d98b37b9f07a88c7f983 [0,2,0,0,0,0|2,0,0]=4 7264 B11R0.4 CCCCCCCN(C)CCC 42b62aaf36e74de6c1558dc7962934ed [0,2,0,0,0,0|1,0,0]=3 7265 B11R0.4 CCCCCCCN(C)CCF db1f8e1b926d439bcb75670beb422b85 [0,2,0,0,0,0|2,0,0]=4 7266 B11R0.4 CCCCCCCN(C)CCO 4b82b57c2e27ee478b4db099376fba2f [0,2,0,0,0,0|2,0,0]=4 7267 B11R0.4 CCCCCCCN(C)CCS b2240761ced255748476441b558b3f51 [0,2,0,0,0,0|2,0,0]=4 7268 B11R0.4 CCCCCCCN(C)COC 6b1c941d11ed516810c29fb4806a97a3 [0,2,0,0,0,0|2,0,0]=4 7269 B11R0.4 CCCCCCCN(C)CSC a84e5e75c29c0638a1a45b4c73f7b981 [0,2,0,0,0,0|2,0,0]=4 7270 B11R0.4 CCCCCCC[C@H](C)NCC c7f8f4e0349dda9a4d6df587a3a48118 [0,2,0,0,0,0|1,0,0]=3 7271 B11R0.4 CCCCCCC[C@H](C)NCF 368f59e933291764ad1c7e2846e804c0 [0,2,0,0,0,0|2,0,0]=4 7272 B11R0.4 CCCCCCC[C@H](C)NCO b897aee6051defb04f5f6cf3c8a31ab5 [0,2,0,0,0,0|2,0,0]=4 7273 B11R0.4 CCCCCCNC(=O)CCC 86ff0f5e9c808359785c4d555716a0c6 [0,2,0,0,0,0|1,0,1]=4 7274 B11R0.4 CCCCCCNC(C)CCC e15b64efeec077d5146a1ed68ae5a97c [0,2,0,0,0,0|1,0,0]=3 7275 B11R0.4 CCCCCCNC(C)CCO 3c37ba78238e6b6e509c763f65a89e15 [0,2,0,0,0,0|2,0,0]=4 7276 B11R0.4 CCCCCCNC(C)COC b30472eb7a71a526e25a1657ace844a6 [0,2,0,0,0,0|2,0,0]=4 7277 B11R0.4 CCCCCCN[C@@H](C)CCC 9e551837f3d2e34034ae13f2ada41469 [0,2,0,0,0,0|1,0,0]=3 7278 B11R0.4 CCCCCCN[C@@H](C)CCO ef20604c1d13846f7a5ae7f726081f93 [0,2,0,0,0,0|2,0,0]=4 7279 B11R0.4 CCCCCCN[C@@H](C)COC af42f1ac714ecf475c2cc8e369f95e1d [0,2,0,0,0,0|2,0,0]=4 7280 B11R0.4 CCCCCCN[C@H](C)CCO d0862c4bfa9c321df31f29a6ac758d6b [0,2,0,0,0,0|2,0,0]=4 7281 B11R0.4 CCCCCCN[C@H](C)COC 43fd59b6b2050599d7c77580a72b29e0 [0,2,0,0,0,0|2,0,0]=4 7282 B11R0.4 CCCCCCOC(=S)CCC ebc5344eafa6dd48024f5c5c5e052730 [0,2,0,0,0,0|0,0,1]=3 7283 B11R0.4 CCCCCCOC(C)CC#N a327f9822ffe78fa2d89125df2bb8680 [0,2,0,0,0,0|1,0,1]=4 7284 B11R0.4 CCCCCCOC(C)CCC cea4e96bc53eba73e0ac0d9156eceb52 [0,2,0,0,0,0|0,0,0]=2 7285 B11R0.4 CCCCCCOC(C)COC 0a2c46151a842c0a8316d557e607046e [0,2,0,0,0,0|1,0,0]=3 7286 B11R0.4 CCCCCCOC(C)CSC fe4e3dcaf8f7e4380a9442a63453b639 [0,2,0,0,0,0|1,0,0]=3 7287 B11R0.4 CCCCCCO[C@@H](C)CC#N d31c954eacca45821743d47d46547f25 [0,2,0,0,0,0|1,0,1]=4 7288 B11R0.4 CCCCCCO[C@@H](C)CCC cefe966dfbc957ea180b07a37145634e [0,2,0,0,0,0|0,0,0]=2 7289 B11R0.4 CCCCCCO[C@@H](C)COC ad5ca165c625a8d30ea6f3b7e3544f87 [0,2,0,0,0,0|1,0,0]=3 7290 B11R0.4 CCCCCCO[C@H](C)CC#N a58da1cfab8a67cdf17940c3424cb2e1 [0,2,0,0,0,0|1,0,1]=4 7291 B11R0.4 CCCCCCO[C@H](C)CCC 383ab7bdac9ecd3e781dc6eb08bc1705 [0,2,0,0,0,0|0,0,0]=2 7292 B11R0.4 CCCCCCO[C@H](C)COC 00df1469b8da9a805d5461f42fa6023c [0,2,0,0,0,0|1,0,0]=3 7293 B11R0.4 CCCCCNCC(=O)CCC 5c0a36c9da6990262983584768700e06 [0,2,0,0,0,0|1,0,0]=3 7294 B11R0.4 CCCCCNCC(=O)COC 502d17c7ceaf127c86a16e7809b966c6 [0,2,0,0,0,0|1,0,1]=4 7295 B11R0.4 CCCCCNCC(=O)NCC 8d174055167832aa82e7a62942ebadb3 [0,2,0,0,0,0|1,0,1]=4 7296 B11R0.4 CCCCCNCC(=O)OCC 4304655bf379f4366dd088701cf7e21c [0,2,0,0,0,0|1,0,1]=4 7297 B11R0.4 CCCCCNCC(C)CCC 6d31555560d55039d0b3f1326793fe29 [0,2,0,0,0,0|1,0,0]=3 7298 B11R0.4 CCCCCNCC(C)CCO e616c0d83429131bb679051a47b6be08 [0,2,0,0,0,0|1,0,0]=3 7299 B11R0.4 CCCCCNCC(C)OCC 80310c21a43275ed4a5101fa3df20ec3 [0,2,0,0,0,0|1,0,0]=3 7300 B11R0.4 CCCCCNCC(O)CC#N 4cc77f7c484a48311e8b49abe90b3ccd [0,2,0,0,0,0|1,0,1]=4 7301 B11R0.4 CCCCCNCC(O)CCC 6fb3e4f64de8bdbce13ab483fc3e7540 [0,2,0,0,0,0|1,0,0]=3 7302 B11R0.4 CCCCCNCC(O)COC 0e0e9052b1492e70629bf047509802a8 [0,2,0,0,0,0|1,0,0]=3 7303 B11R0.4 CCCCCNC[C@@H](O)CC#N bab82c5cc5fd9c0189af5d327332e3fb [0,2,0,0,0,0|1,0,1]=4 7304 B11R0.4 CCCCCNC[C@@H](O)CCO bdfd88a3d4ff55c01c5cfc1f5bba32b4 [0,2,0,0,0,0|1,0,0]=3 7305 B11R0.4 CCCCCNC[C@H](O)CC#N 0aad5ac22101b902ba790edbe2af8f35 [0,2,0,0,0,0|1,0,1]=4 7306 B11R0.4 CCCCCNC[C@H](O)COC b6289c37a683c4930d21e58655f2c609 [0,2,0,0,0,0|1,0,0]=3 7307 B11R0.4 CCCCCOCC(=O)CCC 8262177c32a9450a29113f02c3e40c8e [0,2,0,0,0,0|0,0,0]=2 7308 B11R0.4 CCCCCOCC(=O)NCC 7e231127cc82282dbbf3308dc7e1564c [0,2,0,0,0,0|0,0,1]=3 7309 B11R0.4 CCCCCOCC(=O)OCC f64a848703599a93df3dbf25be548f27 [0,2,0,0,0,0|0,0,1]=3 7310 B11R0.4 CCCCCOCC(C)CCC 1f36716bae62124915274758b1ca904a [0,2,0,0,0,0|0,0,0]=2 7311 B11R0.4 CCCCCOCC(C)OCC 83f87eb48f216a550822e2968f3bab11 [0,2,0,0,0,0|0,0,0]=2 7312 B11R0.4 CCCCCOC[C@@H](O)CCO 3968df4237b71e64b4f9295c1d148fbc [0,2,0,0,0,0|0,0,0]=2 7313 B11R0.4 CCCCNCCC(=O)NCC 7c1ce674cd02b76f256893a6da664746 [0,2,0,0,0,0|1,0,1]=4 7314 B11R0.4 CCCCNCCC(=O)OCC dc7dea90b346ecbda1f0d157b0c94f32 [0,2,0,0,0,0|1,0,1]=4 7315 B11R0.4 CCCCNCCN(C)CCO 7b48eb574e74735944f950248a22b0af [0,2,0,0,0,0|2,0,0]=4 7316 B11R0.4 CCCCNCOC(=O)CCC cc2e2e110e13b6e9f5212bb3d4681698 [0,2,0,0,0,0|0,0,1]=3 7317 B11R0.4 CCCCNCOC(=O)OCC ca409d7539df0c74dbd07384dd478520 [0,2,0,0,0,0|1,0,1]=4 7318 B11R0.4 CCCCNCOC(=O)SCC 2bb2d25fa2ef25941c49a8e888b29c57 [0,2,0,0,0,0|1,0,1]=4 7319 B11R0.4 CCCCOCCC(=O)NCC 2cf33a536e71aa672563b2e6c9b353ba [0,2,0,0,0,0|0,0,1]=3 7320 B11R0.4 CCCCOCCC(=O)OCC 95ad894d01602c07de1d2b4aae4a0e6e [0,2,0,0,0,0|0,0,1]=3 7321 B11R0.4 CCCCOCCC(C)CCC 418b690c6d2fa614cbcb46958f840609 [0,2,0,0,0,0|0,0,0]=2 7322 B11R0.4 CCCCOCCC(S)CCC fced6969366cebe3ae9b1440202c0c65 [0,2,0,0,0,0|0,0,0]=2 7323 B11R0.4 CCCCOCCN(C)CC#N e8a0478a5b327cc02efbc5900ebf0237 [0,2,0,0,0,0|1,0,1]=4 7324 B11R0.4 CCCCOCCN(C)CCC 27d76c00867eab3ac8a5b5b688fbe418 [0,2,0,0,0,0|0,0,0]=2 7325 B11R0.4 CCCCOCCN(C)CCF 5d8ae9968954983bc26c99443e3dfa4d [0,2,0,0,0,0|1,0,0]=3 7326 B11R0.4 CCCCOCCN(C)CCO a37f620faa64d7bf80b2a73a3a97ae6f [0,2,0,0,0,0|1,0,0]=3 7327 B11R0.4 CCCCOCNC(C)CC#N 7b69b914be0e295454b34768c914c63f [0,2,0,0,0,0|1,0,1]=4 7328 B11R0.4 CCCCOCNC(C)CCC 185c7cbc311f48390b42bd1068d66d9e [0,2,0,0,0,0|0,0,0]=2 7329 B11R0.4 CCCCOCNC(C)CCO 86ffd541637c5e3583f9e072027bc1a0 [0,2,0,0,0,0|1,0,0]=3 7330 B11R0.4 CCCCOCNC(C)COC 687ac8fdb1dc1f24a9877747ebaca189 [0,2,0,0,0,0|1,0,0]=3 7331 B11R0.4 CCCCOCN[C@@H](C)CCC 0e22b32d8d5a9ad843e0b3ba7d6f7683 [0,2,0,0,0,0|0,0,0]=2 7332 B11R0.4 CCCCOCN[C@@H](C)CCO 694918313d67be79e101035a45a11f15 [0,2,0,0,0,0|1,0,0]=3 7333 B11R0.4 CCCCOCN[C@@H](C)COC 4ac617ca083dfc61b66ecaa83518b8d9 [0,2,0,0,0,0|1,0,0]=3 7334 B11R0.4 CCCCOCN[C@H](C)CCO 8a0698739042eaac6bc44e533ac8a8e5 [0,2,0,0,0,0|1,0,0]=3 7335 B11R0.4 CCCCOCN[C@H](C)COC 3c38667e95a098f0417a0fa37ff907e0 [0,2,0,0,0,0|1,0,0]=3 7336 B11R0.4 CCCCOCOC(=O)CCC b2403cfdcf9e3272dd7d915ff636f487 [0,2,0,0,0,0|0,0,1]=3 7337 B11R0.4 CCCCOCOC(=O)OCC f9445a123e97e58df2bd304b13c696ca [0,2,0,0,0,0|1,0,1]=4 7338 B11R0.4 CCCCOCOC(=O)SCC 9fbe2d42309e989a4135a7d0aa7273eb [0,2,0,0,0,0|1,0,1]=4 7339 B11R0.4 CCCCOCOC(=S)CCC c21ba10898477f356b122da4cbbceb6f [0,2,0,0,0,0|0,0,1]=3 7340 B11R0.4 CCCCOCOC(C)CCC 0a4bb62dbc4cfedab12fd971dbe21ee1 [0,2,0,0,0,0|0,0,0]=2 7341 B11R0.4 CCCCOCOC(C)COC 9e6342bedd4eb0c80223b1554d4ec5c7 [0,2,0,0,0,0|1,0,0]=3 7342 B11R0.4 CCCCOCOC(C)CSC e90630574e7557b722cc0dcd19f6c328 [0,2,0,0,0,0|1,0,0]=3 7343 B11R0.4 CCCCOCO[C@@H](C)CCC 3ae7f2326c6dcb1799bf845878cdbc74 [0,2,0,0,0,0|0,0,0]=2 7344 B11R0.4 CCCCOCO[C@@H](C)COC 716607277c7a561d3f87f867e3b0710f [0,2,0,0,0,0|1,0,0]=3 7345 B11R0.4 CCCCOCO[C@H](C)CCC 4c7bf02695cb84868576521334a48dd0 [0,2,0,0,0,0|0,0,0]=2 7346 B11R0.4 CCCCOCO[C@H](C)COC e79b9b6cd73fdc328389db8cc4c84e9f [0,2,0,0,0,0|1,0,0]=3 7347 B11R0.4 CCCN(C)CCCCCCF a601c857b4403d63cc5d582bc896bcaa [0,2,0,0,0,0|2,0,0]=4 7348 B11R0.4 CCCN(C)CCCCCCO 7b2e6e9a2805e1f19dc02fa5859816c2 [0,2,0,0,0,0|2,0,0]=4 7349 B11R0.4 CCCN(C)CCCCCOC 17a2722347627b071daca0384c1b1f44 [0,2,0,0,0,0|2,0,0]=4 7350 B11R0.4 CCCN(C)CCOCCOC b3bc4b86b26b9fe574b55fa80d07cc66 [0,2,0,0,0,0|1,0,0]=3 7351 B11R0.4 CCCOCCCC(C)CCC a53b5c18543174a41f05c1546d98d86e [0,2,0,0,0,0|1,0,0]=3 7352 B11R0.4 CCCOCCCN(C)CCC 902a46893d5befbfbf4388d5ee902c10 [0,2,0,0,0,0|2,0,0]=4 7353 B11R0.4 CCCOCCNC(=O)CCC 95c055b4347bfd7bfa9c570d9719ea75 [0,2,0,0,0,0|1,0,1]=4 7354 B11R0.4 CCCOCCNC(C)CCC 31e8d7c8653fe82d02ce2954b5bcd9ab [0,2,0,0,0,0|1,0,0]=3 7355 B11R0.4 CCCOCCNC(C)CCO f72e45236175384a5d3740f1134d3dcc [0,2,0,0,0,0|2,0,0]=4 7356 B11R0.4 CCCOCCNC(C)COC daf9e2540f45a7f8e2ad1f03037e08da [0,2,0,0,0,0|2,0,0]=4 7357 B11R0.4 CCCOCCN[C@@H](C)CCC d1698bdebe5ab6544c48057e9e0adf00 [0,2,0,0,0,0|1,0,0]=3 7358 B11R0.4 CCCOCCN[C@@H](C)CCO b2d47b9874332c1c01e88f37cb4160d2 [0,2,0,0,0,0|2,0,0]=4 7359 B11R0.4 CCCOCCN[C@@H](C)COC a2d61af961acfd47c047fbff442b2578 [0,2,0,0,0,0|2,0,0]=4 7360 B11R0.4 CCCOCCN[C@H](C)CCO 8fc31915ba4a10bfefb003f281c36a79 [0,2,0,0,0,0|2,0,0]=4 7361 B11R0.4 CCCOCCN[C@H](C)COC 6c8a82feff075d22803d0f7e3d096402 [0,2,0,0,0,0|2,0,0]=4 7362 B11R0.4 CCCOCCOC(=O)CCC 94efe85d85fae3af0976a73792f0222f [0,2,0,0,0,0|0,0,1]=3 7363 B11R0.4 CCCOCCOC(=S)CCC 95a4dad7fc3b1d357922e071080ce62e [0,2,0,0,0,0|0,0,1]=3 7364 B11R0.4 CCCOCCOC(C)CC#N 5c6925bd978084960f9450b787a92c2e [0,2,0,0,0,0|1,0,1]=4 7365 B11R0.4 CCCOCCOC(C)CCC 0718f8788045b926ec65216173e53bce [0,2,0,0,0,0|0,0,0]=2 7366 B11R0.4 CCCOCCOC(C)COC cec5c66a369cad4235e8aa9e9b8a796d [0,2,0,0,0,0|1,0,0]=3 7367 B11R0.4 CCCOCCOC(C)CSC 70a657ea0fecb74167fdc2758b57d321 [0,2,0,0,0,0|1,0,0]=3 7368 B11R0.4 CCCOCCO[C@@H](C)CC#N f1a6fd143d05183c91acb13828b07f00 [0,2,0,0,0,0|1,0,1]=4 7369 B11R0.4 CCCOCCO[C@@H](C)CCC 42bbc03cca2630aa13580adad71d1be6 [0,2,0,0,0,0|0,0,0]=2 7370 B11R0.4 CCCOCCO[C@@H](C)COC a6157ed930c35332a3027c7c7d259ba7 [0,2,0,0,0,0|1,0,0]=3 7371 B11R0.4 CCCOCCO[C@H](C)CC#N 5267c74bac34e3c06d9ae68682b1a7af [0,2,0,0,0,0|1,0,1]=4 7372 B11R0.4 CCCOCCO[C@H](C)CCC 28ee10e8884a7bb06ea5329ce5b20582 [0,2,0,0,0,0|0,0,0]=2 7373 B11R0.4 CCCOCCO[C@H](C)COC 47c57d860028f2344e3996a8f123f214 [0,2,0,0,0,0|1,0,0]=3 7374 B11R0.4 CCCSCCOC(C)CC#N cef01a6ed5b539e3a3965bcce2b8edbb [0,2,0,0,0,0|1,0,1]=4 7375 B11R0.4 CCCSCCOC(C)CCC 17743df72a9dba4df426cc8297e4d5b2 [0,2,0,0,0,0|0,0,0]=2 7376 B11R0.4 CCCSCCOC(C)COC dc324b16b3a143519ca5152c7dda0db4 [0,2,0,0,0,0|1,0,0]=3 7377 B11R0.4 CCC[C@@H](C)OCCCCC#N 76dc9094b81c35aec3cebeb601296910 [0,2,0,0,0,0|0,0,1]=3 7378 B11R0.4 CCC[C@@H](C)OCCCCC=O 033210babc7ebfe5abe9bcc3934a56ae [0,2,0,0,0,0|0,0,1]=3 7379 B11R0.4 CCC[C@@H](C)OCCCCCF 59e159490da5ab17ab8d2a0f32480be8 [0,2,0,0,0,0|0,0,0]=2 7380 B11R0.4 CCC[C@@H](C)OCCCCOC 629efafb6735378a7f4ed1f3be5e2919 [0,2,0,0,0,0|0,0,0]=2 7381 B11R0.4 CCC[C@@H](C)OCCCOCC 1e53ecf5115d81f9df80c3e1d1926c21 [0,2,0,0,0,0|0,0,0]=2 7382 B11R0.4 CCC[C@@H](C)OCCCSCC cd562550a503eed8476b3f81d5633369 [0,2,0,0,0,0|0,0,0]=2 7383 B11R0.4 CCC[C@@H](C)OCCOCC#N f38f091573e8b5631a9257d84ba98a0f [0,2,0,0,0,0|1,0,1]=4 7384 B11R0.4 CCC[C@@H](C)OCCOCC=O 3d8eb20e2dc0d93c960fac61105a319d [0,2,0,0,0,0|1,0,1]=4 7385 B11R0.4 CCC[C@@H](C)OCCOCOC 67ce7158d410898615809b6eb2fb2040 [0,2,0,0,0,0|1,0,0]=3 7386 B11R0.4 CCC[C@@H](C)OCOCCOC 3ca4f544a0d5e7c691405f753dfe09a4 [0,2,0,0,0,0|1,0,0]=3 7387 B11R0.4 CCC[C@H](C)NCCCCC#N 1b875a1465768644a7bf67086544d37a [0,2,0,0,0,0|1,0,1]=4 7388 B11R0.4 CCC[C@H](C)NCCCCC=O 69b1e774c6ee4fddf56909a2246fdb31 [0,2,0,0,0,0|1,0,1]=4 7389 B11R0.4 CCC[C@H](C)NCCCCCF 2bbe48de21957a7e0abb89e304291bbe [0,2,0,0,0,0|1,0,0]=3 7390 B11R0.4 CCC[C@H](C)NCCCCCO 9145428cec86525735d1e0f47d1ced44 [0,2,0,0,0,0|1,0,0]=3 7391 B11R0.4 CCC[C@H](C)NCCCCOC 9833bb351d8689497c469a9016668ef3 [0,2,0,0,0,0|1,0,0]=3 7392 B11R0.4 CCC[C@H](C)NCCCCON c7977cca3d9df46e9c9474c81c5fd9e6 [0,2,0,0,0,0|2,0,0]=4 7393 B11R0.4 CCC[C@H](C)NCCCOCC 0d95e53020889f27f221de40f41e5453 [0,2,0,0,0,0|1,0,0]=3 7394 B11R0.4 CCC[C@H](C)NCCCSCC 18cc66a8ba46586d83e512575401b552 [0,2,0,0,0,0|1,0,0]=3 7395 B11R0.4 CCC[C@H](C)NCCOCCO e43cab5518151f81c4b426d8fd6c35d1 [0,2,0,0,0,0|2,0,0]=4 7396 B11R0.4 CCC[C@H](C)NCCOCOC 16faa5005f784215f349a247fdda924a [0,2,0,0,0,0|2,0,0]=4 7397 B11R0.4 CCC[C@H](C)NCOCCOC 7dcd32a5254966bd22e6a5e84556142a [0,2,0,0,0,0|1,0,0]=3 7398 B11R0.4 CCC[C@H](C)OCCCCC#N 3dbeb60574c991df86d8044e6672f92b [0,2,0,0,0,0|0,0,1]=3 7399 B11R0.4 CCC[C@H](C)OCCCCC=O 7227fc07ecb170decb561add9373e421 [0,2,0,0,0,0|0,0,1]=3 7400 B11R0.4 CCC[C@H](C)OCCCCCF cab5e6c0db3ebbd4ff89649a43a82ddd [0,2,0,0,0,0|0,0,0]=2 7401 B11R0.4 CCC[C@H](C)OCCCCOC bd1318dc989f36034fec620f437bf532 [0,2,0,0,0,0|0,0,0]=2 7402 B11R0.4 CCC[C@H](C)OCCCOCC a00fa3182be3ac26a6996d18666edffa [0,2,0,0,0,0|0,0,0]=2 7403 B11R0.4 CCC[C@H](C)OCCCSCC 391aa571532fdb69042ce571d91e647d [0,2,0,0,0,0|0,0,0]=2 7404 B11R0.4 CCC[C@H](C)OCCOCC#N 87be92bb45eb9174449c34e0f72316aa [0,2,0,0,0,0|1,0,1]=4 7405 B11R0.4 CCC[C@H](C)OCCOCC=O 002246d7a3bcb4cf229a9a66b869e6bb [0,2,0,0,0,0|1,0,1]=4 7406 B11R0.4 CCC[C@H](C)OCCOCOC c3a0b1e01e064d9e7b6b46ccf64563ec [0,2,0,0,0,0|1,0,0]=3 7407 B11R0.4 CCC[C@H](C)OCOCCOC 9a2c5b044261d725270d95b9fced51ce [0,2,0,0,0,0|1,0,0]=3 7408 B11R0.4 CCNC(=O)CCOCCCF b6ee2c391d4b62370c7abdd303507ede [0,2,0,0,0,0|1,0,1]=4 7409 B11R0.4 CCNC(=O)CCOCCCS 702465c093be781a6054e5bc985bee27 [0,2,0,0,0,0|1,0,1]=4 7410 B11R0.4 CCNC(=O)CCOCCOC 5fad450ddee06ba16e4d1593ea819f1b [0,2,0,0,0,0|1,0,1]=4 7411 B11R0.4 CCNC(=O)CCOCCSC d94fe0c1fb6d5ec136edfcb9404e797a [0,2,0,0,0,0|1,0,1]=4 7412 B11R0.4 CCNC(=O)COCCCCF 4f3e59fe792a1e2231e0ddd56f31044d [0,2,0,0,0,0|1,0,1]=4 7413 B11R0.4 CCNC(=O)COCCCCS 3a913aaba736c6d870947a80d041d880 [0,2,0,0,0,0|1,0,1]=4 7414 B11R0.4 CCNC(=O)COCCCOC c022c25bcb9ab83afb1bab76d4958aa0 [0,2,0,0,0,0|1,0,1]=4 7415 B11R0.4 CCNC(=O)COCCCSC e5803c04a5b50643a72be8ad1dae0cda [0,2,0,0,0,0|1,0,1]=4 7416 B11R0.4 CCNC(=O)COCCOCC f5273a02be122109aa563b91255aa24f [0,2,0,0,0,0|1,0,1]=4 7417 B11R0.4 CCNC(=O)COCCSCC 877ab42063e372e9088e987259034e7e [0,2,0,0,0,0|1,0,1]=4 7418 B11R0.4 CCOC(=O)CCOCCCF a7be7eb6d4bf413eef8e017143e3f700 [0,2,0,0,0,0|1,0,1]=4 7419 B11R0.4 CCOC(=O)CCOCCCS f6284e96b38ea040626353532b55676c [0,2,0,0,0,0|1,0,1]=4 7420 B11R0.4 CCOC(=O)CCOCCOC 5eab465898645a5ae67f5c769be3f00c [0,2,0,0,0,0|1,0,1]=4 7421 B11R0.4 CCOC(=O)CCOCCSC cba55ac5252fa9caa5a0ba30c08c4f44 [0,2,0,0,0,0|1,0,1]=4 7422 B11R0.4 CCOC(=O)COCCCCF bdd3130414d7bb52901d2af99d6baad4 [0,2,0,0,0,0|1,0,1]=4 7423 B11R0.4 CCOC(=O)COCCCCS d9f6c265a2fd8cb1d0d139c1fd8ea40e [0,2,0,0,0,0|1,0,1]=4 7424 B11R0.4 CCOC(=O)COCCCOC eb98c0daf8901cd4eec41b84833eccbf [0,2,0,0,0,0|1,0,1]=4 7425 B11R0.4 CCOC(=O)COCCCSC 00a233a412e6525cdc70bdadeb0a8d89 [0,2,0,0,0,0|1,0,1]=4 7426 B11R0.4 CCOC(=O)COCCSCC 0d930b0adeba2e697fe84aabdd6723e8 [0,2,0,0,0,0|1,0,1]=4 7427 B11R0.4 CCOC(C)CNCCCCF 7f1266238cd5883d9a89d1073d849277 [0,2,0,0,0,0|2,0,0]=4 7428 B11R0.4 CCOC(C)CNCCCCO cb1a19ee3c38d0691b3599eb3da299ba [0,2,0,0,0,0|2,0,0]=4 7429 B11R0.4 CCOC(C)CNCCCOC 24b5cc34b4cbc558c156d102e59da02d [0,2,0,0,0,0|2,0,0]=4 7430 B11R0.4 CCOC(C)CNCCCSC 8e273655cabe71819436de721ca361da [0,2,0,0,0,0|2,0,0]=4 7431 B11R0.4 CCOC(C)CNCCSCC 3e315787a5cf6fb0bfc4d262a0b11a71 [0,2,0,0,0,0|2,0,0]=4 7432 B11R0.4 CCOC(C)COCCCC#N c4cabdf59863644eea6ea03ddd5dbdea [0,2,0,0,0,0|1,0,1]=4 7433 B11R0.4 CCOC(C)COCCCC=O 3c9f07a4578debc3eeca1fc9ad1acec9 [0,2,0,0,0,0|1,0,1]=4 7434 B11R0.4 CCOC(C)COCCCCF 066c2a0f369f8ca7fc8c501fa1e51755 [0,2,0,0,0,0|1,0,0]=3 7435 B11R0.4 CCOC(C)COCCCOC fb277b64cd4968e41457d5a89b09158a [0,2,0,0,0,0|1,0,0]=3 7436 B11R0.4 CCOC(C)COCCCSC 7ec44e7098580fa8a87a86c2634be347 [0,2,0,0,0,0|1,0,0]=3 7437 B11R0.4 CCOC(C)COCCSCC 53f636e8fa8c1076ee1971cc2f9f254b [0,2,0,0,0,0|1,0,0]=3 7438 B11R0.4 CCOCCCNC(C)CCO d3596ca593f0eaeecaed024e085c156f [0,2,0,0,0,0|2,0,0]=4 7439 B11R0.4 CCOCCCNC(C)COC 831676238f3253d399ee74f1795ee016 [0,2,0,0,0,0|2,0,0]=4 7440 B11R0.4 CCOCCCN[C@@H](C)CCO 93018d5eab6df836b32d0d2dfad3a7cb [0,2,0,0,0,0|2,0,0]=4 7441 B11R0.4 CCOCCCN[C@@H](C)COC b7b8ea32f9d4e6d41649cd7a950a604b [0,2,0,0,0,0|2,0,0]=4 7442 B11R0.4 CCOCCCN[C@H](C)CCO 41a5c680286dc361f125ecf59186311f [0,2,0,0,0,0|2,0,0]=4 7443 B11R0.4 CCOCCCN[C@H](C)COC 6dd454d0160df01ff7765b0c6cefd6db [0,2,0,0,0,0|2,0,0]=4 7444 B11R0.4 CCOCCCOC(C)CC#N 8c47c6aff23df209fb6ce0f5f367f992 [0,2,0,0,0,0|1,0,1]=4 7445 B11R0.4 CCOCCCOC(C)COC 44d98148fc4a2b9bf350f08807a4aa5d [0,2,0,0,0,0|1,0,0]=3 7446 B11R0.4 CCOCCCOC(C)CSC abae268f2ea07e6037d48f06317a9bb7 [0,2,0,0,0,0|1,0,0]=3 7447 B11R0.4 CCOCCCO[C@@H](C)CC#N b9f395fde3d16cd7142f9b4e3c9dfc05 [0,2,0,0,0,0|1,0,1]=4 7448 B11R0.4 CCOCCCO[C@@H](C)COC 59892c1ec30a19810f7481347e562dd9 [0,2,0,0,0,0|1,0,0]=3 7449 B11R0.4 CCOCCCO[C@H](C)CC#N 46d54397d6a6efeefb70fe33af187899 [0,2,0,0,0,0|1,0,1]=4 7450 B11R0.4 CCOCCCO[C@H](C)COC 5ac16be2d3298c76b333bd2628262c49 [0,2,0,0,0,0|1,0,0]=3 7451 B11R0.4 CCOCCNCC(C)CCO 408213befb1a8aaa40062c020bb254fd [0,2,0,0,0,0|2,0,0]=4 7452 B11R0.4 CCOCCNCC(C)OCC 788e7459e7513c120fc5b6dd71663a6c [0,2,0,0,0,0|2,0,0]=4 7453 B11R0.4 CCOCCNCC(O)COC 15f1af194f110d0af284544dab69e6c7 [0,2,0,0,0,0|2,0,0]=4 7454 B11R0.4 CCOCCNC[C@@H](O)CCO 4e4f5d83f0d57909dcbdf38d45af1a87 [0,2,0,0,0,0|2,0,0]=4 7455 B11R0.4 CCOCCNC[C@H](O)COC ece3dc0ee8d5d3c4e6e021a4111b455a [0,2,0,0,0,0|2,0,0]=4 7456 B11R0.4 CCOCCOCC(=O)COC dbb7b3dd5ddf63d54f30b38b4ecaf7c8 [0,2,0,0,0,0|1,0,1]=4 7457 B11R0.4 CCOCCOCC(=O)OCC 1e47a791ce24a3105a78deacbb6e4ae7 [0,2,0,0,0,0|1,0,1]=4 7458 B11R0.4 CCOCCOCC(C)COC d10ffb83c71cbf5f8dd034e5ae814257 [0,2,0,0,0,0|1,0,0]=3 7459 B11R0.4 CCOCCOCC(C)OCC bb2600847471de0f2202f19415c18e4c [0,2,0,0,0,0|1,0,0]=3 7460 B11R0.4 CCOCCOC[C@@H](C)COC 021bb9d1a76ee0a47ba969af7e95c1ba [0,2,0,0,0,0|1,0,0]=3 7461 B11R0.4 CCOCCOC[C@@H](O)CCO 173de864a12ced675685b084a46a7080 [0,2,0,0,0,0|1,0,0]=3 7462 B11R0.4 CCOCOCCC(=O)OCC adf258b99474a5da1b50ec3aeed30c5b [0,2,0,0,0,0|1,0,1]=4 7463 B11R0.4 CCSCCCNC(C)CCO 83c40ea7dd5a4a92a4a29be1ff60285b [0,2,0,0,0,0|2,0,0]=4 7464 B11R0.4 CCSCCCNC(C)COC 215f9f5e735e36f558dc928914c625e3 [0,2,0,0,0,0|2,0,0]=4 7465 B11R0.4 CCSCCCN[C@@H](C)CCO b3416b3a7c2f2a2f25823432d3940776 [0,2,0,0,0,0|2,0,0]=4 7466 B11R0.4 CCSCCCN[C@@H](C)COC 0d8d21515da5d9c480906dc412e4a570 [0,2,0,0,0,0|2,0,0]=4 7467 B11R0.4 CCSCCCN[C@H](C)CCO 5bc46850d21f8bb64cf11ca15d8f4c8b [0,2,0,0,0,0|2,0,0]=4 7468 B11R0.4 CCSCCCN[C@H](C)COC 3b4dede973d582acf59ced01e7d0d47d [0,2,0,0,0,0|2,0,0]=4 7469 B11R0.4 CCSCCCOC(C)CC#N c57d762785d71b8fc0e6a2194448ed39 [0,2,0,0,0,0|1,0,1]=4 7470 B11R0.4 CCSCCCOC(C)COC 8578a3684c70d246c43290bbcda8ef3b [0,2,0,0,0,0|1,0,0]=3 7471 B11R0.4 CCSCCCOC(C)CSC 2328a8a2d0c6feee97ea9f5ebfe4c841 [0,2,0,0,0,0|1,0,0]=3 7472 B11R0.4 CCSCCCO[C@@H](C)CC#N 8e18251e4557a69b6ac619db2319c902 [0,2,0,0,0,0|1,0,1]=4 7473 B11R0.4 CCSCCCO[C@@H](C)COC 3ce167993eb11e9f97303582a1494e25 [0,2,0,0,0,0|1,0,0]=3 7474 B11R0.4 CCSCCCO[C@H](C)CC#N 5b76172ada1feb61599595935d35627a [0,2,0,0,0,0|1,0,1]=4 7475 B11R0.4 CCSCCCO[C@H](C)COC 7e161a935a2fa47b0613df43aeb4715b [0,2,0,0,0,0|1,0,0]=3 7476 B11R0.4 CCSCCNCC(C)CCO 825f89490c15772ef62b957abe80e445 [0,2,0,0,0,0|2,0,0]=4 7477 B11R0.4 CCSCCNCC(O)COC 1a5165aecbb998c0eb44710fa322ae5d [0,2,0,0,0,0|2,0,0]=4 7478 B11R0.4 CCSCCNC[C@@H](O)CCO 6d4571fb57b9a168318fce1b16d001fd [0,2,0,0,0,0|2,0,0]=4 7479 B11R0.4 CCSCCNC[C@H](O)COC af21f34018cd0554a3a7c4e26b620294 [0,2,0,0,0,0|2,0,0]=4 7480 B11R0.4 CCSCCOCC(=O)COC 6b7424a0912b8c7461eacd3ba1762ba5 [0,2,0,0,0,0|1,0,1]=4 7481 B11R0.4 CCSCCOC[C@@H](O)CCO acbb4e1399abdef5f94c7e61abbdc893 [0,2,0,0,0,0|1,0,0]=3 7482 B11R0.4 COCC(=O)COCCCCF 64f1546e16c70ee2e4e07aced5677625 [0,2,0,0,0,0|1,0,1]=4 7483 B11R0.4 COCC(=O)COCCCCS 1c69a5e1cf0dd2d22b4517ff2bf45ec5 [0,2,0,0,0,0|1,0,1]=4 7484 B11R0.4 COCC(=O)COCCCSC b7514f231ed5bceecb60df57c287f67a [0,2,0,0,0,0|1,0,1]=4 7485 B11R0.4 COCC(C)COCCCC#N 79e95658c237778af3d2636f5270dc04 [0,2,0,0,0,0|1,0,1]=4 7486 B11R0.4 COCC(C)COCCCC=O caea4d5bcf63f97a69d44b6c4005f6fc [0,2,0,0,0,0|1,0,1]=4 7487 B11R0.4 COCC(C)COCCCCF c9f8f74aa30b2ec3ea1df0cfd7f17b77 [0,2,0,0,0,0|1,0,0]=3 7488 B11R0.4 COCC(C)COCCCSC bcae0b0bc14a8ae6848e5f8d42291288 [0,2,0,0,0,0|1,0,0]=3 7489 B11R0.4 COCC(C)NCCCCCCl c392ca73b8e2319a7cb2e9b77faee3f6 [0,2,0,0,0,0|2,0,0]=4 7490 B11R0.4 COCC(C)NCCCCCF b158305c05d0c06c45c97ff39560599a [0,2,0,0,0,0|2,0,0]=4 7491 B11R0.4 COCC(C)NCCCCCO 351fdc29b278e8c45344438bd8d6ff61 [0,2,0,0,0,0|2,0,0]=4 7492 B11R0.4 COCC(C)NCCCCSC 787c39131f192ef2c683c83d5fda6d6f [0,2,0,0,0,0|2,0,0]=4 7493 B11R0.4 COCC(C)OCCCCC#N 587efe9f1ef9c32045895f22dd41fd71 [0,2,0,0,0,0|1,0,1]=4 7494 B11R0.4 COCC(C)OCCCCC=O 9d168781ec65e803d7e4dec5a4455c50 [0,2,0,0,0,0|1,0,1]=4 7495 B11R0.4 COCC(C)OCCCCCF 5944b1569d552c8bbe9cab995916779a [0,2,0,0,0,0|1,0,0]=3 7496 B11R0.4 COCC(C)OCCCCSC bc9cac0274b0108d96764e0cc512a6cd [0,2,0,0,0,0|1,0,0]=3 7497 B11R0.4 COCC(C)OCCOCCF 8d4004accbe78035fc52a504de9c0998 [0,2,0,0,0,0|2,0,0]=4 7498 B11R0.4 COCC(C)OCCOCCS c2efe717547b25e9af5ba7d3678ef593 [0,2,0,0,0,0|2,0,0]=4 7499 B11R0.4 COCC(O)CNCCCCCl b36a1db8f4d23f1ee9e7447afcbffe0b [0,2,0,0,0,0|2,0,0]=4 7500 B11R0.4 COCC(O)CNCCCCF 697266dbc71377ed15b8d8ecfff7747e [0,2,0,0,0,0|2,0,0]=4 7501 B11R0.4 COCC(O)CNCCCCO 148ec3286708d1423551fa09c82d2605 [0,2,0,0,0,0|2,0,0]=4 7502 B11R0.4 COCC(O)CNCCCCS d07abe1d80a86455f178284f6f766ebc [0,2,0,0,0,0|2,0,0]=4 7503 B11R0.4 COCC(O)CNCCCSC 2aed2f8e87142cecf17efab935ae74f6 [0,2,0,0,0,0|2,0,0]=4 7504 B11R0.4 COCCCCNC(C)CCO b12573803a8fd44450d23c03dc91074b [0,2,0,0,0,0|2,0,0]=4 7505 B11R0.4 COCCCCNC(C)COC cbee5740f31abad6e3a4aec68294b161 [0,2,0,0,0,0|2,0,0]=4 7506 B11R0.4 COCCCCN[C@@H](C)CCO 1607139999798676d65bdc55de114f58 [0,2,0,0,0,0|2,0,0]=4 7507 B11R0.4 COCCCCN[C@@H](C)COC df66db2ce9ffdc1f6cab01e3befac895 [0,2,0,0,0,0|2,0,0]=4 7508 B11R0.4 COCCCCN[C@H](C)CCO 5a184eae06764b15e41a2c1b898af0b6 [0,2,0,0,0,0|2,0,0]=4 7509 B11R0.4 COCCCCN[C@H](C)COC d39a179b40b2be434aaefa00b38f1551 [0,2,0,0,0,0|2,0,0]=4 7510 B11R0.4 COCCCCOC(C)CC#N 9eeab20fce40afe98af958e150a87695 [0,2,0,0,0,0|1,0,1]=4 7511 B11R0.4 COCCCCOC(C)COC 4d2d8a4ad5f9875936197c4db372f3db [0,2,0,0,0,0|1,0,0]=3 7512 B11R0.4 COCCCCOC(C)CSC 4467a0720d68cf8dc13c5f91d6ce7ec5 [0,2,0,0,0,0|1,0,0]=3 7513 B11R0.4 COCCCCO[C@@H](C)CC#N 78eeaef4261ef961cf3dd28ff4e546bb [0,2,0,0,0,0|1,0,1]=4 7514 B11R0.4 COCCCCO[C@@H](C)COC a6cb1d39411ed8ba04536f5429ae1cab [0,2,0,0,0,0|1,0,0]=3 7515 B11R0.4 COCCCCO[C@H](C)CC#N 81a39779e5cb81e7d6be0c631567711e [0,2,0,0,0,0|1,0,1]=4 7516 B11R0.4 COCCCCO[C@H](C)COC fe0f0ed994fa7220d1040b0e36501954 [0,2,0,0,0,0|1,0,0]=3 7517 B11R0.4 COCCCNCC(C)CCO c49e178b16cc5d0e24172a55a3e399cd [0,2,0,0,0,0|2,0,0]=4 7518 B11R0.4 COCCCNCC(O)COC ff08e729ad10c1d8cc2798c2e1690cf1 [0,2,0,0,0,0|2,0,0]=4 7519 B11R0.4 COCCCNC[C@@H](O)CCO ef207f705d85f7b639c9e695bc6fd41c [0,2,0,0,0,0|2,0,0]=4 7520 B11R0.4 COCCCNC[C@H](O)COC ede3711f78538123d32de6df00595a19 [0,2,0,0,0,0|2,0,0]=4 7521 B11R0.4 COCCCOCC(=O)COC f65d05f3157a1048b7ede41de889fd20 [0,2,0,0,0,0|1,0,1]=4 7522 B11R0.4 COCCCOCC(C)COC f1e0449d821e4d820f81d3e9c129d0f9 [0,2,0,0,0,0|1,0,0]=3 7523 B11R0.4 COCCCOC[C@@H](C)COC 8463b0f4097b4b9761063ac6458f35ff [0,2,0,0,0,0|1,0,0]=3 7524 B11R0.4 COCCCOC[C@@H](O)CCO c12958134b062e9b6e54d7090772ee44 [0,2,0,0,0,0|1,0,0]=3 7525 B11R0.4 COCCOCCN(C)CCF 68f1fb2cdbd232e5cf12a21aa6d9b060 [0,2,0,0,0,0|2,0,0]=4 7526 B11R0.4 COCCOCCN(C)CCO c212f0ab19e9617285a266ae86ee3773 [0,2,0,0,0,0|2,0,0]=4 7527 B11R0.4 COCCOCCN(C)CCS 4525c29eb4caf33793082a0e6962b589 [0,2,0,0,0,0|2,0,0]=4 7528 B11R0.4 COCCOCCN(C)COC a269f693291409a7aaadd6e4c4e14c64 [0,2,0,0,0,0|2,0,0]=4 7529 B11R0.4 COCCOCCN(C)CSC a4a6929235c2afa45b980938e0c6832c [0,2,0,0,0,0|2,0,0]=4 7530 B11R0.4 COCCOCNC(C)CCO b51616c826430ded2901a63f8ec33134 [0,2,0,0,0,0|2,0,0]=4 7531 B11R0.4 COCCOCNC(C)COC 0a9c4be8afc9f0f10a87812808a237d7 [0,2,0,0,0,0|2,0,0]=4 7532 B11R0.4 COCCOCN[C@@H](C)CCO 7ac58683bbb1d106ce232a6d6bc24712 [0,2,0,0,0,0|2,0,0]=4 7533 B11R0.4 COCCOCN[C@@H](C)COC 4b3e0e92a4b6e38487e808ad2eb0aa46 [0,2,0,0,0,0|2,0,0]=4 7534 B11R0.4 COCCOCN[C@H](C)CCO 51cd7f39e24abffe21ee7570ef5f642d [0,2,0,0,0,0|2,0,0]=4 7535 B11R0.4 COCCOCN[C@H](C)COC eef746bbd7c9300157ad1e7b4e38d7c9 [0,2,0,0,0,0|2,0,0]=4 7536 B11R0.4 COCCOCOC(C)COC 5b78858017b7e6697bff1e7d6153854f [0,2,0,0,0,0|2,0,0]=4 7537 B11R0.4 COCCOCOC(C)CSC eee54ff2c97cd3bf7733f4bb0ebfcf1b [0,2,0,0,0,0|2,0,0]=4 7538 B11R0.4 COCCOCO[C@@H](C)COC 57dc877792c0b3ac7af8ae6bb992b68b [0,2,0,0,0,0|2,0,0]=4 7539 B11R0.4 COCCOCO[C@H](C)COC c910f85af9b2a937b4fab92ad91d3ff6 [0,2,0,0,0,0|2,0,0]=4 7540 B11R0.4 COCOCCOC(C)COC 9c5dc4b666dddacf39f2948fcf2741f6 [0,2,0,0,0,0|2,0,0]=4 7541 B11R0.4 COCOCCOC(C)CSC cde9220afa0b4575e831dbb688d3470b [0,2,0,0,0,0|2,0,0]=4 7542 B11R0.4 COCOCCO[C@@H](C)COC 1d9a1a013276bf75a188d1f2e192c5a5 [0,2,0,0,0,0|2,0,0]=4 7543 B11R0.4 COCOCCO[C@H](C)COC 5adcb279e1346757feb25a9f6285a55d [0,2,0,0,0,0|2,0,0]=4 7544 B11R0.4 COC[C@@H](C)NCCCCCF 47caa5f5deb2b278b7dc9493c0446c52 [0,2,0,0,0,0|2,0,0]=4 7545 B11R0.4 COC[C@@H](C)NCCCCCO 2b34e2a3b96422b7024dbfc29f7d8950 [0,2,0,0,0,0|2,0,0]=4 7546 B11R0.4 COC[C@@H](C)OCCCCC#N 53a66a525d98882675e3d96320190caa [0,2,0,0,0,0|1,0,1]=4 7547 B11R0.4 COC[C@@H](C)OCCCCC=O 779ef6c012e995620ca51570e7bc6cf3 [0,2,0,0,0,0|1,0,1]=4 7548 B11R0.4 COC[C@@H](C)OCCCCCF 08eea8e9e6a27907167f9a1c238e504c [0,2,0,0,0,0|1,0,0]=3 7549 B11R0.4 COC[C@@H](O)CNCCCCF 845c6c7490d55c0b96fbfe095c778479 [0,2,0,0,0,0|2,0,0]=4 7550 B11R0.4 COC[C@@H](O)CNCCCCO 1abb1175f404e0f20e136e81cf3c2a3b [0,2,0,0,0,0|2,0,0]=4 7551 B11R0.4 COC[C@@H](O)CNCCCSC e609fb0f71ba777bb43b6baef5fb7bc0 [0,2,0,0,0,0|2,0,0]=4 7552 B11R0.4 COC[C@H](C)COCCCC#N e22a6ccdf81ad97ccfe5548d6b1ddf3c [0,2,0,0,0,0|1,0,1]=4 7553 B11R0.4 COC[C@H](C)COCCCC=O 299ac6dcefd02a67bc4623c46c39d1af [0,2,0,0,0,0|1,0,1]=4 7554 B11R0.4 COC[C@H](C)COCCCCF 56ab1646b2cb1c38f6df6c1cc36771d9 [0,2,0,0,0,0|1,0,0]=3 7555 B11R0.4 COC[C@H](C)COCCCSC 4bcfed6177d40e5d13a5315979b70a74 [0,2,0,0,0,0|1,0,0]=3 7556 B11R0.4 COC[C@H](C)NCCCCCF f59cf09202cf77bbc9a459b1b069e371 [0,2,0,0,0,0|2,0,0]=4 7557 B11R0.4 COC[C@H](C)NCCCCCO 072f4bd3615ad86129e011e6b0c9f5fb [0,2,0,0,0,0|2,0,0]=4 7558 B11R0.4 COC[C@H](C)OCCCCC#N 3db733b113130676e2286da324526189 [0,2,0,0,0,0|1,0,1]=4 7559 B11R0.4 COC[C@H](C)OCCCCC=O af08f2942081ca3cb39dde2ecebd31ab [0,2,0,0,0,0|1,0,1]=4 7560 B11R0.4 COC[C@H](C)OCCCCCF 7147b6bb32590cb4d134313c6193b0f8 [0,2,0,0,0,0|1,0,0]=3 7561 B11R0.4 CSCC(C)OCCCCC#N 8e4131e26b7c88dd494f9b51507a95d7 [0,2,0,0,0,0|1,0,1]=4 7562 B11R0.4 CSCC(C)OCCCCC=O 16e086427f9ee1b6e3d67b7e1a38b3e1 [0,2,0,0,0,0|1,0,1]=4 7563 B11R0.4 CSCC(C)OCCCCCF 2e9d44b0dd6b44061cfbf22accc3f085 [0,2,0,0,0,0|1,0,0]=3 7564 B11R0.4 CSCCCCNC(C)CCO 0c0f3d875b40c13216db688c5b60aa07 [0,2,0,0,0,0|2,0,0]=4 7565 B11R0.4 CSCCCCOC(C)CC#N 8ba5130836074a8469c3e6c68813a503 [0,2,0,0,0,0|1,0,1]=4 7566 B11R0.4 CSCCCNCC(C)CCO 84a454bd3c7eea1c34c7ae1b3c080a58 [0,2,0,0,0,0|2,0,0]=4 7567 B11R0.4 CSCCCOC[C@@H](O)CCO 15c7f8d6f7bdecdcab79f003a4ce7526 [0,2,0,0,0,0|1,0,0]=3 7568 B11R0.4 C[C@@H](CC#N)OCCCCCF b197bda15a7c95bb63a7125d18b64cd5 [0,2,0,0,0,0|1,0,1]=4 7569 B11R0.4 C[C@@H](CCO)NCCCCCF 2766bb93b1d6dbd5417ee37f628c02ef [0,2,0,0,0,0|2,0,0]=4 7570 B11R0.4 C[C@@H](CCO)NCCCCCO efc6222a2077fd3d9124ab4a2ec2fa67 [0,2,0,0,0,0|2,0,0]=4 7571 B11R0.4 C[C@H](CC#N)OCCCCCF e1ea61362f900666c5967a21842d100f [0,2,0,0,0,0|1,0,1]=4 7572 B11R0.4 C[C@H](CCO)NCCCCCF 9fb28f740f09c7700798af921db78cc9 [0,2,0,0,0,0|2,0,0]=4 7573 B11R0.4 C[C@H](CCO)NCCCCCO 41ad5bba2174a445b08b4067ce00adf2 [0,2,0,0,0,0|2,0,0]=4 7574 B11R0.4 N#CCCCOC[C@@H](O)CCO 7f5e3b4910c1386c23bbc48bb0441612 [0,2,0,0,0,0|1,0,1]=4 7575 B11R0.4 O=CCCCOC[C@@H](O)CCO 4792204ef9c9247895ae2d480e4398ed [0,2,0,0,0,0|1,0,1]=4 7576 B11R0.4 OCCCCNC[C@@H](O)CCO a42a0db4f6235ad304ab27f42b34426d [0,2,0,0,0,0|2,0,0]=4 7577 B11R0.4 OCC[C@H](O)CNCCCCCl c8f7795d200b29659abfec986d949707 [0,2,0,0,0,0|2,0,0]=4 7578 B11R0.4 OCC[C@H](O)CNCCCCS 5eab9369cc27988839e04012b0c48eee [0,2,0,0,0,0|2,0,0]=4 7579 B11R0.4 OCC[C@H](O)COCCCCF 8cca0f4cb85cea784836b944f8f8c41a [0,2,0,0,0,0|1,0,0]=3 7580 B11R0.4 OCC[C@H](O)COCCCCS 1906065dcf4d839c365112a60a30255f [0,2,0,0,0,0|1,0,0]=3 7581 B11R0.5 C#CCC(C)OC(C)CCCC c72d19f56b483df1a8f6f12f848c7191 [0,2,0,0,0,0|0,0,2]=4 7582 B11R0.5 C/C=C/C(C)OC(C)CCCC df351835c35429f44ad39c753eaab71d [0,2,0,0,0,0|0,0,2]=4 7583 B11R0.5 C=CCC(C)OC(C)CCCC 97073523364c9e8104d5479454060ce9 [0,2,0,0,0,0|0,0,2]=4 7584 B11R0.5 C=CCCC(C)OC(C)CCC a711b0260a266ebe4d5c08d618b9412a [0,2,0,0,0,0|0,0,2]=4 7585 B11R0.5 C=CCCC(C)O[C@@H](C)CCC 03a4102bdd6de45d81f9923aacc42bc4 [0,2,0,0,0,0|0,0,2]=4 7586 B11R0.5 C=CCCC(C)O[C@H](C)CCC 67f2eb9b4b45c2796e4b7ea343cf982b [0,2,0,0,0,0|0,0,2]=4 7587 B11R0.5 C=CCC[C@@H](C)OC(C)CCC e12268c57c4f7b9f65c85fdc1d9d8625 [0,2,0,0,0,0|0,0,2]=4 7588 B11R0.5 C=CC[C@@H](C)OC(C)CCCC 3a8b44b4e330fc89b6ebd0f5bd28b301 [0,2,0,0,0,0|0,0,2]=4 7589 B11R0.5 C=CC[C@H](C)OC(C)CCCC 157b791344874d0c05f90c0044b6452a [0,2,0,0,0,0|0,0,2]=4 7590 B11R0.5 CC#CC(C)OC(C)CCCC 46ba6dbac1cdaa2a2276caea2d6ad6be [0,2,0,0,0,0|0,0,2]=4 7591 B11R0.5 CC=CC(C)OC(C)CCCC 44a07a369bea2f37c54595c704f511df [0,2,0,0,0,0|0,0,2]=4 7592 B11R0.5 CCC#CC(C)OC(C)CCC c0367b67e761e9c1e49ddcb53ed8a50f [0,2,0,0,0,0|0,0,2]=4 7593 B11R0.5 CCCC(C)CN(C)CCCO d5c10c73e9a34f19979ff17102de8dfd [0,2,0,0,0,0|2,0,0]=4 7594 B11R0.5 CCCC(C)CN(C)CCOC 9be1fd7aa4a01858c4831818c178d937 [0,2,0,0,0,0|2,0,0]=4 7595 B11R0.5 CCCC(C)CN(C)CCSC c3e28e642736c6a6bceead47c146fb4b [0,2,0,0,0,0|2,0,0]=4 7596 B11R0.5 CCCC(C)NC(C)CCCO e14c1776e530514b29ae90a37f50bae3 [0,2,0,0,0,0|2,0,0]=4 7597 B11R0.5 CCCC(C)N[C@H](C)CCCO dbd45149fe9de3fd5b3211bd84cbe708 [0,2,0,0,0,0|2,0,0]=4 7598 B11R0.5 CCCC(C)OC(C)CCC#N 3991774af4e959f7d94ac767baabebe1 [0,2,0,0,0,0|1,0,1]=4 7599 B11R0.5 CCCC(C)OC(C)CCOC fadbcd4771bbbe4cfa2b633166893b28 [0,2,0,0,0,0|1,0,0]=3 7600 B11R0.5 CCCC(C)OC(C)COCC af6fb572014cccde381c2b9f2272f333 [0,2,0,0,0,0|1,0,0]=3 7601 B11R0.5 CCCCC(=O)NC(C)CCC 06b75c8ed502847831974c3beb293115 [0,2,0,0,0,0|1,0,1]=4 7602 B11R0.5 CCCCC(=O)N[C@@H](C)CCC d44d2e3ce3090614354e888e02ab6cb9 [0,2,0,0,0,0|1,0,1]=4 7603 B11R0.5 CCCCC(C)NC(=O)CCC 43436934f24e745885dfbadec08128d1 [0,2,0,0,0,0|1,0,1]=4 7604 B11R0.5 CCCCC(C)NC(C)CCC a7eb2b10100894a8d37769b87f7661e4 [0,2,0,0,0,0|1,0,0]=3 7605 B11R0.5 CCCCC(C)NC(C)CCO e3c8eab1a16c33d6ac37b8f2cc7eb577 [0,2,0,0,0,0|2,0,0]=4 7606 B11R0.5 CCCCC(C)NC(C)COC cba0bd0fb72d434ac49053bee2149ce9 [0,2,0,0,0,0|2,0,0]=4 7607 B11R0.5 CCCCC(C)N[C@@H](C)CCC aa15a29ec560c32f6f5bcf6a4f167044 [0,2,0,0,0,0|1,0,0]=3 7608 B11R0.5 CCCCC(C)N[C@@H](C)CCO cfd08b43ea4b465f69f09eaae20672d0 [0,2,0,0,0,0|2,0,0]=4 7609 B11R0.5 CCCCC(C)N[C@@H](C)COC fa40667ef1f20927f2f210f5767d6b57 [0,2,0,0,0,0|2,0,0]=4 7610 B11R0.5 CCCCC(C)N[C@H](C)CCO a777358eef2f89082d3bde8cd58247a5 [0,2,0,0,0,0|2,0,0]=4 7611 B11R0.5 CCCCC(C)N[C@H](C)COC 20db5861d9e3a43ea1fcaa8f46b648c0 [0,2,0,0,0,0|2,0,0]=4 7612 B11R0.5 CCCCC(C)OC(=S)CCC 0c4270cad6dfde75c78c81454c1eb24c [0,2,0,0,0,0|0,0,1]=3 7613 B11R0.5 CCCCC(C)OC(C)CC#N 67ae2b71056cffd66b9513030f81229a [0,2,0,0,0,0|1,0,1]=4 7614 B11R0.5 CCCCC(C)OC(C)CCC 15718631eb67924817f99c568538e079 [0,2,0,0,0,0|0,0,0]=2 7615 B11R0.5 CCCCC(C)OC(C)COC b88de6723fc0777128f98e447057ef19 [0,2,0,0,0,0|1,0,0]=3 7616 B11R0.5 CCCCC(C)OC(C)CSC a8ebbaeb56a2a6d152620c4773ae3bc2 [0,2,0,0,0,0|1,0,0]=3 7617 B11R0.5 CCCCC(C)O[C@@H](C)CC#N 718a4eceabccf3b4e9d5583833b5514b [0,2,0,0,0,0|1,0,1]=4 7618 B11R0.5 CCCCC(C)O[C@@H](C)CCC 64777bdc1b8eebb8dd7a9935014fd0b6 [0,2,0,0,0,0|0,0,0]=2 7619 B11R0.5 CCCCC(C)O[C@@H](C)COC 9ed40b42a134e222ddcea1f4e7c0fc56 [0,2,0,0,0,0|1,0,0]=3 7620 B11R0.5 CCCCC(C)O[C@H](C)CC#N 4df541a39d0e195de18771c7deaf3219 [0,2,0,0,0,0|1,0,1]=4 7621 B11R0.5 CCCCC(C)O[C@H](C)CCC 0ddd87afd86c4e18b69d322622fd9252 [0,2,0,0,0,0|0,0,0]=2 7622 B11R0.5 CCCCC(C)O[C@H](C)COC 686565fa482a02992a3f0fc5fe506a57 [0,2,0,0,0,0|1,0,0]=3 7623 B11R0.5 CCCCN(C)CC(=O)CCC 2c9d1b447eaaf33a4021bbf9ae8724ad [0,2,0,0,0,0|1,0,1]=4 7624 B11R0.5 CCCCN(C)CC(C)CCC 428af2d2a31b6889d0a09b292ba5fa84 [0,2,0,0,0,0|1,0,0]=3 7625 B11R0.5 CCCCN(C)CC(C)OCC d7f875f5fa242e2035bb41f58cb6d2de [0,2,0,0,0,0|2,0,0]=4 7626 B11R0.5 CCCCN(C)CC(O)COC cad71ba5b39ad015dc2b75943a636933 [0,2,0,0,0,0|2,0,0]=4 7627 B11R0.5 CCCC[C@@H](C)NC(=O)CCC b900024a5ad230bdc04e528498061486 [0,2,0,0,0,0|1,0,1]=4 7628 B11R0.5 CCCC[C@@H](C)NC(C)CCC d27b494b42c5ed8fd96098ebe1d57cf5 [0,2,0,0,0,0|1,0,0]=3 7629 B11R0.5 CCCC[C@@H](C)NC(C)CCO b2c13c9062845e9878d6cc51fac8fb61 [0,2,0,0,0,0|2,0,0]=4 7630 B11R0.5 CCCC[C@@H](C)NC(C)COC 79b5a94137007a524babfad57d859d13 [0,2,0,0,0,0|2,0,0]=4 7631 B11R0.5 CCCC[C@@H](C)OC(C)CC#N 236c1b4c6a54481227e1a7d927eee0b8 [0,2,0,0,0,0|1,0,1]=4 7632 B11R0.5 CCCC[C@@H](C)OC(C)CCC 9fb00506971cd8a345085f963c397612 [0,2,0,0,0,0|0,0,0]=2 7633 B11R0.5 CCCC[C@@H](C)OC(C)COC 1d1e4b2459f7024740262d995c6c47fe [0,2,0,0,0,0|1,0,0]=3 7634 B11R0.5 CCCC[C@H](C)OC(C)CC#N 9c1bcb11587a3272d1fab9de50a512d3 [0,2,0,0,0,0|1,0,1]=4 7635 B11R0.5 CCCC[C@H](C)OC(C)CCC 9aafe441cab49d6d7485972a114429bf [0,2,0,0,0,0|0,0,0]=2 7636 B11R0.5 CCCC[C@H](C)OC(C)COC ef7c2337b86329c386020a6329872892 [0,2,0,0,0,0|1,0,0]=3 7637 B11R0.5 CCCNC(=O)CC(C)CCC 770df29d3463093fa9d923c103cabdeb [0,2,0,0,0,0|2,0,0]=4 7638 B11R0.5 CCCNC(=O)CC(O)CCC 347d2fd032ec3e8346c1406202ef2590 [0,2,0,0,0,0|2,0,0]=4 7639 B11R0.5 CCCOC(C)CC(C)CCC e074e59321627f673bc606f13426d330 [0,2,0,0,0,0|2,0,0]=4 7640 B11R0.5 CCC[C@@H](C)OC(C)CCC#N 1c6ce78b99e2cde70445cbf3d3b850e2 [0,2,0,0,0,0|1,0,1]=4 7641 B11R0.5 CCC[C@H](C)NC(C)CCCO 99a93f3c72ef371a431aa761f4efc8f6 [0,2,0,0,0,0|2,0,0]=4 7642 B11R0.5 CCC[C@H](C)OC(C)CCC#N 10eb33d2fca62ed5d0a46303d67637da [0,2,0,0,0,0|1,0,1]=4 7643 B11R0.5 CCOCC(C)OC(C)COC 3d35fd4dcc5baa521b0a10973ae59ab7 [0,2,0,0,0,0|2,0,0]=4 7644 B11R0.5 CCOC[C@@H](C)OC(C)OCC be7a23656a0344ae588c4233ef4c4efa [0,2,0,0,0,0|2,0,0]=4 7645 B11R0.5 COCC(C)OC(C)CCSC 56ec720c759573670e3256e4d71ed5af [0,2,0,0,0,0|2,0,0]=4 7646 B11R0.5 COCCC(C)OC(C)COC 0c1aa1788ebf3775a3cb0adcf58562f5 [0,2,0,0,0,0|2,0,0]=4 7647 B11R0.62 C#CCC(C)OCC(C)CCC 41b5753c5449bdf5c37c2d5f1353d782 [0,2,0,0,0,0|0,0,2]=4 7648 B11R0.62 C/C=C/C(C)OCC(C)CCC 967dfbcf0c1d48f076d7d6967c98db6d [0,2,0,0,0,0|0,0,2]=4 7649 B11R0.62 C=CCC(C)COC(C)CCC 461a5218b8ad36bb50e53005eacf51c5 [0,2,0,0,0,0|0,0,2]=4 7650 B11R0.62 C=CCC(C)CO[C@@H](C)CCC c73c604eab716cbf00b540c1b38ff497 [0,2,0,0,0,0|0,0,2]=4 7651 B11R0.62 C=CCC(C)CO[C@H](C)CCC 8d8b0cf75a531915821c4a00ac42ed77 [0,2,0,0,0,0|0,0,2]=4 7652 B11R0.62 C=CCC(C)OCC(C)CCC 959aaafbcc28d3393a73934934489344 [0,2,0,0,0,0|0,0,2]=4 7653 B11R0.62 C=CC[C@@H](C)OCC(C)CCC da6fe22cb8f4d585e535501aa6d2154b [0,2,0,0,0,0|0,0,2]=4 7654 B11R0.62 C=CC[C@H](C)OCC(C)CCC b49d5f21c3c35ff608fadc2fd692e284 [0,2,0,0,0,0|0,0,2]=4 7655 B11R0.62 CC#CC(C)OCC(C)CCC a7a61fac7b8feb5ac86897f53488743c [0,2,0,0,0,0|0,0,2]=4 7656 B11R0.62 CC=CC(C)OCC(C)CCC 5e8d826b28d1b3f9857ee5e4dc819eb3 [0,2,0,0,0,0|0,0,2]=4 7657 B11R0.62 CCCC(=O)CNC(C)CCC 6632afc944bce25b7a2f02221949bcdf [0,2,0,0,0,0|1,0,1]=4 7658 B11R0.62 CCCC(=O)CN[C@@H](C)CCC f5155482ba35dcd819963dc622d6e7c7 [0,2,0,0,0,0|1,0,1]=4 7659 B11R0.62 CCCC(=O)COC(=S)CCC 09b6a45b0e488d394f5eefb65d74c8c0 [0,2,0,0,0,0|0,0,2]=4 7660 B11R0.62 CCCC(=O)COC(C)CCC 41a5141b1797466a137db310153bc0fb [0,2,0,0,0,0|0,0,1]=3 7661 B11R0.62 CCCC(=O)COC(C)COC 344d5864b4730163584b5a95c22ae95d [0,2,0,0,0,0|1,0,1]=4 7662 B11R0.62 CCCC(=O)COC(C)CSC ed1a91297810d6a0a4c6dff575e809ff [0,2,0,0,0,0|1,0,1]=4 7663 B11R0.62 CCCC(=O)CO[C@@H](C)CCC d84216eaff112d2ebe7a5edfc1e5a392 [0,2,0,0,0,0|0,0,1]=3 7664 B11R0.62 CCCC(=O)CO[C@@H](C)COC ea0de5b1df7d4d7cfa3ce4591e8dda6e [0,2,0,0,0,0|1,0,1]=4 7665 B11R0.62 CCCC(=O)CO[C@H](C)CCC 738e2a5af0cfe369cb0c7327cd5938d9 [0,2,0,0,0,0|0,0,1]=3 7666 B11R0.62 CCCC(=O)CO[C@H](C)COC 090542cd3b37dcb1262ad240df10b60b [0,2,0,0,0,0|1,0,1]=4 7667 B11R0.62 CCCC(=O)NCC(O)CCC 4a65aec58a4bf3eeef8107bd670efb46 [0,2,0,0,0,0|1,0,1]=4 7668 B11R0.62 CCCC(=O)OCN(C)CCC 3f81cb354cfe83830751d858b6d8e501 [0,2,0,0,0,0|1,0,1]=4 7669 B11R0.62 CCCC(=S)OCC(C)CCC e073cff525470b00703e360819cad89b [0,2,0,0,0,0|0,0,1]=3 7670 B11R0.62 CCCC(=S)OC[C@@H](O)CCO 2949f1c59e5c5a185240b76bfc9dfc7b [0,2,0,0,0,0|1,0,1]=4 7671 B11R0.62 CCCC(C)CNC(C)CCC 6d3b5d446e68a7813b48dbec4c94878d [0,2,0,0,0,0|1,0,0]=3 7672 B11R0.62 CCCC(C)CNC(C)CCO 16c5843c715e4c1d912a60a298647e02 [0,2,0,0,0,0|2,0,0]=4 7673 B11R0.62 CCCC(C)CNC(C)COC d89e733eb4b97d416ad9d0a5ca198b3c [0,2,0,0,0,0|2,0,0]=4 7674 B11R0.62 CCCC(C)CN[C@@H](C)CCC e9d000ba4f5df469a75ff0dc2fd46f05 [0,2,0,0,0,0|1,0,0]=3 7675 B11R0.62 CCCC(C)CN[C@@H](C)CCO 5d076ec6c80bf4a48383e484d1985676 [0,2,0,0,0,0|2,0,0]=4 7676 B11R0.62 CCCC(C)CN[C@@H](C)COC a614f1c13e7675dfd7ebb30eb5717d5d [0,2,0,0,0,0|2,0,0]=4 7677 B11R0.62 CCCC(C)CN[C@H](C)CCO 079ed66b9fe810cff46ad3fc89607010 [0,2,0,0,0,0|2,0,0]=4 7678 B11R0.62 CCCC(C)CN[C@H](C)COC f6e8bdcdedc1c4e2af749b66ee03f61f [0,2,0,0,0,0|2,0,0]=4 7679 B11R0.62 CCCC(C)COC(C)CC#N 2565e9e2886999e280a4cf14757a4ae8 [0,2,0,0,0,0|1,0,1]=4 7680 B11R0.62 CCCC(C)COC(C)CCC 2bdb0abc0cedae695fd57d79b603ac43 [0,2,0,0,0,0|0,0,0]=2 7681 B11R0.62 CCCC(C)COC(C)COC 4995276a1ef8a83f68b7ad365dc8f87d [0,2,0,0,0,0|1,0,0]=3 7682 B11R0.62 CCCC(C)COC(C)CSC 42dd3f9460f2f5c904926e69682ec0f4 [0,2,0,0,0,0|1,0,0]=3 7683 B11R0.62 CCCC(C)CO[C@@H](C)CC#N b3607b450319c8b2b9c985dd7abeb7e5 [0,2,0,0,0,0|1,0,1]=4 7684 B11R0.62 CCCC(C)CO[C@@H](C)CCC 697120d159021991d84a3d75b428f05c [0,2,0,0,0,0|0,0,0]=2 7685 B11R0.62 CCCC(C)CO[C@@H](C)COC ea69f33b38721a0c0c78cd62ebf68e02 [0,2,0,0,0,0|1,0,0]=3 7686 B11R0.62 CCCC(C)CO[C@H](C)CC#N 6c3b9c64807a8b05739b58cfd9f02182 [0,2,0,0,0,0|1,0,1]=4 7687 B11R0.62 CCCC(C)CO[C@H](C)CCC 247eea56da67c6a40d61884f244b0813 [0,2,0,0,0,0|0,0,0]=2 7688 B11R0.62 CCCC(C)CO[C@H](C)COC 9ad492150ccbb0de425a161f38b102b3 [0,2,0,0,0,0|1,0,0]=3 7689 B11R0.62 CCCC(C)NCC(C)CCO dc3fcfb308a4230deca23cbc2222e71d [0,2,0,0,0,0|2,0,0]=4 7690 B11R0.62 CCCC(C)NCC(C)OCC 6d05245184b83b562a2169c66e7b6ebc [0,2,0,0,0,0|2,0,0]=4 7691 B11R0.62 CCCC(C)NCC(O)COC 3af9361eff06bcd5fcae8259ca268cd5 [0,2,0,0,0,0|2,0,0]=4 7692 B11R0.62 CCCC(C)NC[C@@H](O)CCO c64ff1966e1177db08a79c0550550844 [0,2,0,0,0,0|2,0,0]=4 7693 B11R0.62 CCCC(C)NC[C@H](O)COC a507c00e3af1525ffb64cabdc8937008 [0,2,0,0,0,0|2,0,0]=4 7694 B11R0.62 CCCC(C)OCC(=O)COC 9b8d89769f63c563b06f445cdfb8771a [0,2,0,0,0,0|1,0,1]=4 7695 B11R0.62 CCCC(C)OCC(=O)NCC 580b0b17ff4033bf69573630acd1cb41 [0,2,0,0,0,0|1,0,1]=4 7696 B11R0.62 CCCC(C)OCC(=O)OCC 4586f4226b99b0b6e1f84961c98bd4e7 [0,2,0,0,0,0|1,0,1]=4 7697 B11R0.62 CCCC(C)OCC(C)OCC 868017a7a3d8a80dad77097e8bdc9871 [0,2,0,0,0,0|1,0,0]=3 7698 B11R0.62 CCCC(C)OC[C@@H](O)CCO 7b5291f257c6f740780fab1aca1767b5 [0,2,0,0,0,0|1,0,0]=3 7699 B11R0.62 CCCC(O)CNC(C)CCC da12c8b704b620b8922bf8ccab96242c [0,2,0,0,0,0|1,0,0]=3 7700 B11R0.62 CCCC(O)CNC(C)CCO d7bf85b13990fea944f4268d0bfd7848 [0,2,0,0,0,0|2,0,0]=4 7701 B11R0.62 CCCC(O)CNC(C)COC 0e4e2de1f761b8cb2c770fe02278e98b [0,2,0,0,0,0|2,0,0]=4 7702 B11R0.62 CCC[C@@H](C)OCC(=O)COC f1c299ffbc4d446971094ee2674fea41 [0,2,0,0,0,0|1,0,1]=4 7703 B11R0.62 CCC[C@@H](C)OCC(=O)NCC 3c60785c5317a71bf18f3514eb2a4e08 [0,2,0,0,0,0|1,0,1]=4 7704 B11R0.62 CCC[C@@H](C)OCC(=O)OCC 117854438b5e57e82698512a18bdb091 [0,2,0,0,0,0|1,0,1]=4 7705 B11R0.62 CCC[C@@H](C)OC[C@@H](O)CCO bef004ecfb3e2b3637d7c866e2e0e3a0 [0,2,0,0,0,0|1,0,0]=3 7706 B11R0.62 CCC[C@H](C)NCC(O)COC 4e2f49a2074e5dadb19d5d95b6d31e26 [0,2,0,0,0,0|2,0,0]=4 7707 B11R0.62 CCC[C@H](C)NC[C@@H](O)CCO 4d842980a87dd8115abf5b0c5bc01139 [0,2,0,0,0,0|2,0,0]=4 7708 B11R0.62 CCC[C@H](C)OCC(=O)COC 0cb6be37d7cf601ce4ce142b094697e8 [0,2,0,0,0,0|1,0,1]=4 7709 B11R0.62 CCC[C@H](C)OCC(=O)NCC 0c455e40df9595aacbe1f99f4fa8aae7 [0,2,0,0,0,0|1,0,1]=4 7710 B11R0.62 CCC[C@H](C)OCC(=O)OCC 4f8e65c4f7fb19978641c08a99e6fd3d [0,2,0,0,0,0|1,0,1]=4 7711 B11R0.62 CCC[C@H](C)OC[C@@H](O)CCO 20b13a4d26d744780f77af9731637c2e [0,2,0,0,0,0|1,0,0]=3 7712 B11R0.62 CCOC(C)COC(C)COC d0defbc23a31e8036ce72377e6d5c8a4 [0,2,0,0,0,0|2,0,0]=4 7713 B11R0.62 COCC(C)OC[C@@H](O)CCO 8be48ba8111a712fb179d80cdf8bbb6d [0,2,0,0,0,0|2,0,0]=4 7714 B11R0.62 COC[C@@H](C)OC[C@@H](O)CCO fe70a16bcb12fe2c951775678a5a1214 [0,2,0,0,0,0|2,0,0]=4 7715 B11R0.62 COC[C@H](C)OC[C@@H](O)CCO d4b7cf2da498ed2150ccf7bb68f20536 [0,2,0,0,0,0|2,0,0]=4 7716 B11R0.62 CSCC(C)OC[C@@H](O)CCO bbe0b4a2fab04d99649e61f42df052bc [0,2,0,0,0,0|2,0,0]=4 7717 B11R0.81 C#CCCCCN(C)CCCC 3ec320cafea9d44257d6f0f91e0eef91 [0,2,0,0,0,0|1,0,1]=4 7718 B11R0.81 C#CCCCNC(C)CCCC 516e75a2eb5de836b99dca77dcfd1d73 [0,2,0,0,0,0|1,0,1]=4 7719 B11R0.81 C#CCCCN[C@H](C)CCCC d7b5021113a23ee02461f4f3ae25b4d3 [0,2,0,0,0,0|1,0,1]=4 7720 B11R0.81 C#CCCCOC(C)CCCC 9fb97d97f24b8303e32a79b0df5ef71d [0,2,0,0,0,0|0,0,1]=3 7721 B11R0.81 C#CCCCOC(C)CCOC 82d63ac5ba9fdf0fe0691e1ee3133b3d [0,2,0,0,0,0|0,0,2]=4 7722 B11R0.81 C#CCCCOC(C)CCSC 8c16cd129324d6454f14194f5387fa6c [0,2,0,0,0,0|0,0,2]=4 7723 B11R0.81 C#CCCCOC(C)COCC 4b3eb2e21bdff653b2f2ba713a30b7d7 [0,2,0,0,0,0|0,0,2]=4 7724 B11R0.81 C#CCCCO[C@@H](C)CCCC 20ae229287010f8cbed993810e9b54c4 [0,2,0,0,0,0|0,0,1]=3 7725 B11R0.81 C#CCCCO[C@H](C)CCCC 78912a9137a12556e7790d44ac9b345e [0,2,0,0,0,0|0,0,1]=3 7726 B11R0.81 C#CCCN(C)COCCCC 5668d7462e35dfff10123e2714affaeb [0,2,0,0,0,0|0,0,2]=4 7727 B11R0.81 C#CCCOCC(C)CCCC f2fae319fb42f512bcaa694511a717cf [0,2,0,0,0,0|0,0,2]=4 7728 B11R0.81 C#CCCOCC(C)COCC b1a89187ee86063d7e7df0aa7c66b49b [0,2,0,0,0,0|0,0,2]=4 7729 B11R0.81 C#CCOC(C)COCCCC 6fb3e9bb13e0b60c68b648a25b9fcccf [0,2,0,0,0,0|0,0,2]=4 7730 B11R0.81 C/C=C/CCOC(C)CCCC fc755d5939ac545b621671d079cee386 [0,2,0,0,0,0|0,0,1]=3 7731 B11R0.81 C/C=C/COCC(C)CCCC 5bcd98637b964293a8851a87741e496d [0,2,0,0,0,0|0,0,2]=4 7732 B11R0.81 C/C=C/COCC(C)COCC 85856fb2768991549edf3d5c91cd43d9 [0,2,0,0,0,0|0,0,2]=4 7733 B11R0.81 C/C=C\CCCN(C)CCCC dab94aa0fa141d79a59319ed5832c43b [0,2,0,0,0,0|1,0,1]=4 7734 B11R0.81 C/C=C\COCC(C)CCCC 7f52ba5b633c5e5a5d38a4648e70434c [0,2,0,0,0,0|0,0,2]=4 7735 B11R0.81 C/C=C\COCC(C)COCC 3115fd5a9a6a042fdcedc0952bb07054 [0,2,0,0,0,0|0,0,2]=4 7736 B11R0.81 C=C(COCCCC)OCOC cea1071227f1d3c93a41108626e5a566 [0,2,0,0,0,0|1,0,1]=4 7737 B11R0.81 C=C=CCCOC(C)CCCC 2d775d1669e59ba65881d4c36699baed [0,2,0,0,0,0|0,0,2]=4 7738 B11R0.81 C=CCCC(C)NCCCCC c72678af6e35c54e15af857a3a047306 [0,2,0,0,0,0|1,0,1]=4 7739 B11R0.81 C=CCCC(C)OCCCCC 5c3621609950ec1f6b4d1c06599c428c [0,2,0,0,0,0|0,0,1]=3 7740 B11R0.81 C=CCCC(C)OCCCCF 95b1bd7c7dab94c6a9fe04b96e144120 [0,2,0,0,0,0|0,0,2]=4 7741 B11R0.81 C=CCCC(C)OCCCCS 3d2bc1a6a12e042b00f534b55a589c21 [0,2,0,0,0,0|0,0,2]=4 7742 B11R0.81 C=CCCC(C)OCCCOC b781e3471a37047b49e736390cd34efd [0,2,0,0,0,0|0,0,2]=4 7743 B11R0.81 C=CCCC(C)OCCCSC 3073f5b89d7b4054d037cdbf477d37cf [0,2,0,0,0,0|0,0,2]=4 7744 B11R0.81 C=CCCC(C)OCCOCC e9e53f1163123c9d09048819b63a72cc [0,2,0,0,0,0|0,0,2]=4 7745 B11R0.81 C=CCCC(C)OCCSCC 3add925adb21720196bc8b893084bd47 [0,2,0,0,0,0|0,0,2]=4 7746 B11R0.81 C=CCCC(O)CNCCCC 3229c6c178b90ba1794749c53fb99938 [0,2,0,0,0,0|1,0,1]=4 7747 B11R0.81 C=CCCCCN(C)CCCC f062ec32b7543cc568af94931fc8ae47 [0,2,0,0,0,0|1,0,1]=4 7748 B11R0.81 C=CCCCNC(C)CCCC c22a31e4adca8926b7536b5a07974378 [0,2,0,0,0,0|1,0,1]=4 7749 B11R0.81 C=CCCCN[C@H](C)CCCC 486179c4df260428ea348aba5ef8d5ad [0,2,0,0,0,0|1,0,1]=4 7750 B11R0.81 C=CCCCOC(C)CCCC b4dd5abd0a662b87d375e07d99f53db6 [0,2,0,0,0,0|0,0,1]=3 7751 B11R0.81 C=CCCCOC(C)CCOC 7ae3cd7fdc77051a70ce29d6cd5c385a [0,2,0,0,0,0|0,0,2]=4 7752 B11R0.81 C=CCCCOC(C)CCSC 81b06f4fbc941a953a500ed96d3be81d [0,2,0,0,0,0|0,0,2]=4 7753 B11R0.81 C=CCCCOC(C)COCC e75d9028bd0fc4c9de968fcdb0a995e7 [0,2,0,0,0,0|0,0,2]=4 7754 B11R0.81 C=CCCCO[C@@H](C)CCCC 99cd9a540efba51417a9f39f10ba1be7 [0,2,0,0,0,0|0,0,1]=3 7755 B11R0.81 C=CCCCO[C@H](C)CCCC 1ac943b17ea911a1c2d9e1d905a887ba [0,2,0,0,0,0|0,0,1]=3 7756 B11R0.81 C=CCCN(C)COCCCC 7a6a174f6ff132fe45abe18da132fa6d [0,2,0,0,0,0|0,0,2]=4 7757 B11R0.81 C=CCCOCC(C)CCCC e7c5635c555fe1192f441d125d560587 [0,2,0,0,0,0|0,0,2]=4 7758 B11R0.81 C=CCCOCC(C)COCC 20f71fa0f7fbab9d5b32ac909bd787dd [0,2,0,0,0,0|0,0,2]=4 7759 B11R0.81 C=CCC[C@@H](C)OCCCCC 1ba9be83b2eefe0ba6693ec19df98046 [0,2,0,0,0,0|0,0,1]=3 7760 B11R0.81 C=CCC[C@@H](C)OCCCCF 7e88036c56ddda306d9a255b8df18551 [0,2,0,0,0,0|0,0,2]=4 7761 B11R0.81 C=CCC[C@@H](C)OCCCOC 38e8aed481f81ae3deba5f170a359fc4 [0,2,0,0,0,0|0,0,2]=4 7762 B11R0.81 C=CCC[C@@H](C)OCCCSC 2b48ff6be4ca566d70f1bf568f7055fe [0,2,0,0,0,0|0,0,2]=4 7763 B11R0.81 C=CCC[C@@H](C)OCCOCC ec5988981a40adbf269df37c121d9f08 [0,2,0,0,0,0|0,0,2]=4 7764 B11R0.81 C=CCC[C@@H](C)OCCSCC 9cb16cb6009f0cc95981174daa5f5992 [0,2,0,0,0,0|0,0,2]=4 7765 B11R0.81 C=CCC[C@@H](O)CNCCCC 76f830701e4c4a46f32fb2cd244b024d [0,2,0,0,0,0|1,0,1]=4 7766 B11R0.81 C=CCOC(C)COCCCC c9c39b9b95be2cdc50577506001ce453 [0,2,0,0,0,0|0,0,2]=4 7767 B11R0.81 C=COCCOC(C)CCCC a97ffc8341d8c518dd81bce485d65ce7 [0,2,0,0,0,0|0,0,2]=4 7768 B11R0.81 CC#CCCOC(C)CCCC 0fef1442c5eaaa54265c0cce4d427b34 [0,2,0,0,0,0|0,0,1]=3 7769 B11R0.81 CC(CCC#N)OCCCCF 7b43553557b1445fb596973c63dce793 [0,2,0,0,0,0|1,0,1]=4 7770 B11R0.81 CC(CCC#N)OCCCCS ff56ad81ed38cb900d1385fc4580cea4 [0,2,0,0,0,0|1,0,1]=4 7771 B11R0.81 CC(CCCO)NCCCCCl 6146a771ddd13d85b3f9c412151611df [0,2,0,0,0,0|2,0,0]=4 7772 B11R0.81 CC(CCCO)NCCCCF ba0457576eefa0c5f7cc601d9ce914a6 [0,2,0,0,0,0|2,0,0]=4 7773 B11R0.81 CC(CCCO)NCCCCO b7b0729758b09aa3e843e0e7b7e520a6 [0,2,0,0,0,0|2,0,0]=4 7774 B11R0.81 CC(CCCO)NCCCCS 2f01361cce1185ffe65970f680b13d04 [0,2,0,0,0,0|2,0,0]=4 7775 B11R0.81 CC/C=C/CNC(C)CCCC 81e86a8b9f48b2cc1219d4de5d459744 [0,2,0,0,0,0|1,0,1]=4 7776 B11R0.81 CC/C=C/CN[C@H](C)CCCC f79cdffbb693f716fcf5d93b69b0310b [0,2,0,0,0,0|1,0,1]=4 7777 B11R0.81 CC/C=C/COC(C)CCCC 42b37d9860f90ae1395ebb1fa01f0a58 [0,2,0,0,0,0|0,0,1]=3 7778 B11R0.81 CC/C=C/COC(C)CCOC 8f2c0fbfc08b3d95c2209ef615f281d4 [0,2,0,0,0,0|0,0,2]=4 7779 B11R0.81 CC/C=C/COC(C)CCSC 15e3fb0d1bfb4d9fccfa3fb47909c1e5 [0,2,0,0,0,0|0,0,2]=4 7780 B11R0.81 CC/C=C/COC(C)COCC c6059682e2445a3a9c5740a70cc0f737 [0,2,0,0,0,0|0,0,2]=4 7781 B11R0.81 CC/C=C/CO[C@@H](C)CCCC e4d373f852c3e3656bf4fcd1d8dc87f5 [0,2,0,0,0,0|0,0,1]=3 7782 B11R0.81 CC/C=C/CO[C@H](C)CCCC a61448b5c4d7007538aaf40b63254bb0 [0,2,0,0,0,0|0,0,1]=3 7783 B11R0.81 CC/C=C\CCN(C)CCCC ec9dc44d647d04a82557832f950258f9 [0,2,0,0,0,0|1,0,1]=4 7784 B11R0.81 CC/C=C\COC(C)CCCC 2c34bb4d4c5cae98da461010746a1e1c [0,2,0,0,0,0|0,0,1]=3 7785 B11R0.81 CCC#CC(C)OCCCCC 52ff3e86248d7367483aa42a10d8f0a3 [0,2,0,0,0,0|0,0,1]=3 7786 B11R0.81 CCC#CC(C)OCCCCF bdb3ee10e20ebc881692fdad0209fcb3 [0,2,0,0,0,0|0,0,2]=4 7787 B11R0.81 CCC#CC(C)OCCCOC bbc4827dd3b288cb4215710426c67324 [0,2,0,0,0,0|0,0,2]=4 7788 B11R0.81 CCC#CC(C)OCCCSC 55d545442db6c1c94ce40912067016c4 [0,2,0,0,0,0|0,0,2]=4 7789 B11R0.81 CCC#CC(C)OCCOCC 4eeca870907fc2223d4ddda4e4487cca [0,2,0,0,0,0|0,0,2]=4 7790 B11R0.81 CCC#CC(C)OCCSCC 9b638be0e4b5c5b1a4c66c5e45294d70 [0,2,0,0,0,0|0,0,2]=4 7791 B11R0.81 CCC#CCOC(C)CCCC 4da9f9530bbdc7fb9dec9b5ae1e2319b [0,2,0,0,0,0|0,0,1]=3 7792 B11R0.81 CCC#CCOC(C)COCC 03c2717eea8e0bba56ead2479a608342 [0,2,0,0,0,0|0,0,2]=4 7793 B11R0.81 CCC/C=C/CN(C)CCCC cc5b3ee4385649c8b9e807f8993f4c11 [0,2,0,0,0,0|1,0,1]=4 7794 B11R0.81 CCC/C=C\CN(C)CCCC ba6e500d6dc5bbf9624684e00479faf7 [0,2,0,0,0,0|1,0,1]=4 7795 B11R0.81 CCCCC(=O)NCCCCCl b9536b0c8f50ac92230f25eea98ed7d1 [0,2,0,0,0,0|1,0,1]=4 7796 B11R0.81 CCCCC(=O)NCCCCO fa42fcd441c7069b7e8d15f43c375c64 [0,2,0,0,0,0|1,0,1]=4 7797 B11R0.81 CCCCC(=O)NCCCCS ce90c047aecddf54e66da494b3c8c31b [0,2,0,0,0,0|1,0,1]=4 7798 B11R0.81 CCCCC(=O)NCCCOC d86159687395af2cdbf73960d6c053a1 [0,2,0,0,0,0|1,0,1]=4 7799 B11R0.81 CCCCC(=O)NCCCSC be82751f82a49c9ebe55528be38267ca [0,2,0,0,0,0|1,0,1]=4 7800 B11R0.81 CCCCC(=O)NCCOCC bcdbd9d41426e95de40e68225afe50a3 [0,2,0,0,0,0|1,0,1]=4 7801 B11R0.81 CCCCC(=O)NCCSCC 3dc1a80f6b8f71092a353e3e3c630639 [0,2,0,0,0,0|1,0,1]=4 7802 B11R0.81 CCCCC(=O)OCNCCBr b35cf5afed991c05e50b5e7336955d2a [0,2,0,0,0,0|1,0,1]=4 7803 B11R0.81 CCCCC(=O)OCNCCC 189a0251ea5eef3ed179b78ec37eca6d [0,2,0,0,0,0|0,0,1]=3 7804 B11R0.81 CCCCC(=O)OCNCCF 92476339d76daf98486af68d9dd3ae23 [0,2,0,0,0,0|1,0,1]=4 7805 B11R0.81 CCCCC(=O)OCNCCI ec98e23477297f49500e4903c8c00086 [0,2,0,0,0,0|1,0,1]=4 7806 B11R0.81 CCCCC(=O)OCNCCO a2247b6664afd75a70edee19128d94db [0,2,0,0,0,0|1,0,1]=4 7807 B11R0.81 CCCCC(=O)OCNCCS 031b8d3582f8442adf31521fd13d67be [0,2,0,0,0,0|1,0,1]=4 7808 B11R0.81 CCCCC(=O)OCOCCC 0911490fac5c15eab77dc944203f025f [0,2,0,0,0,0|0,0,1]=3 7809 B11R0.81 CCCCC(=O)OCOCCF fc55082c71c8f0e3cdddb51d90ead405 [0,2,0,0,0,0|1,0,1]=4 7810 B11R0.81 CCCCC(=O)OCOCCS df7a84fef8a135f7e1b5bf5951308452 [0,2,0,0,0,0|1,0,1]=4 7811 B11R0.81 CCCCC(=O)OCOCOC b548ff67261092eea409be64a3c75113 [0,2,0,0,0,0|1,0,1]=4 7812 B11R0.81 CCCCC(C)CCOCCC d754160f5aff175f763be994f3b87c75 [0,2,0,0,0,0|1,0,0]=3 7813 B11R0.81 CCCCC(C)CCOCCF cddae7a1127d00adab96e5227fb41672 [0,2,0,0,0,0|2,0,0]=4 7814 B11R0.81 CCCCC(C)CCOCCS ebd8a809f5dbaab148a1579a964aaea4 [0,2,0,0,0,0|2,0,0]=4 7815 B11R0.81 CCCCC(C)CCOCOC ab62cf84cc93bf6a7179afae0e3cb407 [0,2,0,0,0,0|2,0,0]=4 7816 B11R0.81 CCCCC(C)CCOCSC 9694d72c8aa77b7774f783d38599e1e8 [0,2,0,0,0,0|2,0,0]=4 7817 B11R0.81 CCCCC(C)COCCC#N 71a5af9b860f82a95845426135f53475 [0,2,0,0,0,0|1,0,1]=4 7818 B11R0.81 CCCCC(C)COCCC=O dc70c736cb0186bab6c524f23de0846d [0,2,0,0,0,0|1,0,1]=4 7819 B11R0.81 CCCCC(C)COCCCF 4ac382e676bec7d89b2e7758648bd06c [0,2,0,0,0,0|1,0,0]=3 7820 B11R0.81 CCCCC(C)COCCCS 6eebefdebb71889456265cf1558691e0 [0,2,0,0,0,0|1,0,0]=3 7821 B11R0.81 CCCCC(C)COCCOC 6d23d9c4d787a4a6d5d794086aab0abd [0,2,0,0,0,0|1,0,0]=3 7822 B11R0.81 CCCCC(C)COCCSC 96bb25546dadee6d84d5d09d0f07b4a4 [0,2,0,0,0,0|1,0,0]=3 7823 B11R0.81 CCCCC(C)COCOCC a4da04f4859d5c8793c09764b4f806f4 [0,2,0,0,0,0|1,0,0]=3 7824 B11R0.81 CCCCC(C)NCCCC#N 21b426ecd3b44313123fe7bcebd908be [0,2,0,0,0,0|1,0,1]=4 7825 B11R0.81 CCCCC(C)NCCCC=O 046f0e5c1fc98a0141f20b9945da1c0c [0,2,0,0,0,0|1,0,1]=4 7826 B11R0.81 CCCCC(C)NCCCCCl a7a1a6f4abb2ed1be14c6169a3070107 [0,2,0,0,0,0|1,0,0]=3 7827 B11R0.81 CCCCC(C)NCCCCF 518bdc0da03273deef42676da7db3bbe [0,2,0,0,0,0|1,0,0]=3 7828 B11R0.81 CCCCC(C)NCCCCO 9f29a105dee7b4bf1e952c699c8fa561 [0,2,0,0,0,0|1,0,0]=3 7829 B11R0.81 CCCCC(C)NCCCCS 481c477f791c82450030b7d6914ef3a2 [0,2,0,0,0,0|1,0,0]=3 7830 B11R0.81 CCCCC(C)NCCCOC 30691d42b709ba79b73ac95339c0ffcc [0,2,0,0,0,0|1,0,0]=3 7831 B11R0.81 CCCCC(C)NCCCSC 56677dca48f76630282998fe0121c12b [0,2,0,0,0,0|1,0,0]=3 7832 B11R0.81 CCCCC(C)NCCOCC 81d6fc5fda8652fd8ec0eeb33ec6694f [0,2,0,0,0,0|1,0,0]=3 7833 B11R0.81 CCCCC(C)NCCSCC 3a33001843504e2238d3ce22eae04194 [0,2,0,0,0,0|1,0,0]=3 7834 B11R0.81 CCCCC(C)OCCCC#N 6cc530f0e156455488f2ea8eb785ab5a [0,2,0,0,0,0|0,0,1]=3 7835 B11R0.81 CCCCC(C)OCCCC=O 2031a8a2a734c982cd1e64bf2558c673 [0,2,0,0,0,0|0,0,1]=3 7836 B11R0.81 CCCCC(C)OCCCCF 4eb0d7c022c2c0cd59c21a4a30bf589c [0,2,0,0,0,0|0,0,0]=2 7837 B11R0.81 CCCCC(C)OCCCCS 2b860579f8f8d90f74790350351557b3 [0,2,0,0,0,0|0,0,0]=2 7838 B11R0.81 CCCCC(C)OCCCOC 5fd16314a9f42f2ed09d5b7e6e648d65 [0,2,0,0,0,0|0,0,0]=2 7839 B11R0.81 CCCCC(C)OCCCSC 50420dc208f0b069e60256ebb2f626c2 [0,2,0,0,0,0|0,0,0]=2 7840 B11R0.81 CCCCC(C)OCCNC=O 8249771639fc6c474bd9612ac7ffd483 [0,2,0,0,0,0|1,0,1]=4 7841 B11R0.81 CCCCC(C)OCCOC=O d7da77aa8d566102c488c4bf6b58239e [0,2,0,0,0,0|1,0,1]=4 7842 B11R0.81 CCCCC(C)OCCOCC dbba43750acd2575431f76bcf49c2b77 [0,2,0,0,0,0|0,0,0]=2 7843 B11R0.81 CCCCC(C)OCCSCC 00fec32fbad71cf764d7828b6e17dc07 [0,2,0,0,0,0|0,0,0]=2 7844 B11R0.81 CCCCC(O)CNCCCF 7d9a2aeb218ef6058d10fbe787a74afd [0,2,0,0,0,0|2,0,0]=4 7845 B11R0.81 CCCCC(O)CNCCCO 83fd5fe175405563fa5052ff53e1ba21 [0,2,0,0,0,0|2,0,0]=4 7846 B11R0.81 CCCCC(O)CNCCCS 50320e20aa632580f1b7f975bdc14d69 [0,2,0,0,0,0|2,0,0]=4 7847 B11R0.81 CCCCC(O)CNCCOC 2542fca11ccc30f45e5c6dc18148afec [0,2,0,0,0,0|2,0,0]=4 7848 B11R0.81 CCCCC(O)CNCCSC 38c82802ea8a204542dd8690327f564b [0,2,0,0,0,0|2,0,0]=4 7849 B11R0.81 CCCCC(O)CNCOCC 8e8329c98d4f2d47475a75b0aee23d64 [0,2,0,0,0,0|2,0,0]=4 7850 B11R0.81 CCCCCCC(=O)NCCC 87d8790730f902707f59eb54172a1efa [0,2,0,0,0,0|1,0,1]=4 7851 B11R0.81 CCCCCCC(C)COCC 77f334f632b571e05de48ea67149c2d4 [0,2,0,0,0,0|1,0,0]=3 7852 B11R0.81 CCCCCCC(C)COCF 9e97cf89ae569a7fdc534cbfe6861c48 [0,2,0,0,0,0|2,0,0]=4 7853 B11R0.81 CCCCCCC(C)NCCBr 09a5fcbfd09ad16a6795115e42ad2ed8 [0,2,0,0,0,0|2,0,0]=4 7854 B11R0.81 CCCCCCC(C)NCCC 673986824879f3e79ccf765f60ced912 [0,2,0,0,0,0|1,0,0]=3 7855 B11R0.81 CCCCCCC(C)NCCF 5004e673c1294dace9a9adbd8a5016c7 [0,2,0,0,0,0|2,0,0]=4 7856 B11R0.81 CCCCCCC(C)NCCI 31eff6be312c748fb75da5b3ecb85712 [0,2,0,0,0,0|2,0,0]=4 7857 B11R0.81 CCCCCCC(C)NCCO f38668e54c52cfb1a95ef21269912c88 [0,2,0,0,0,0|2,0,0]=4 7858 B11R0.81 CCCCCCC(C)NCCS 67931e347aad1ad9f4c2e811e5854a88 [0,2,0,0,0,0|2,0,0]=4 7859 B11R0.81 CCCCCCC(C)NCOC 515c5adb0c46e28da2ae36dd4e21933b [0,2,0,0,0,0|2,0,0]=4 7860 B11R0.81 CCCCCCC(C)NCSC 94ec72d5741c4686c48741b394741708 [0,2,0,0,0,0|2,0,0]=4 7861 B11R0.81 CCCCCCC(C)OCCC ba224077acd3b740d8e3fb9b4d425b85 [0,2,0,0,0,0|1,0,0]=3 7862 B11R0.81 CCCCCCC(C)OCCF 4029c11da063a889235fa4189e927d2c [0,2,0,0,0,0|2,0,0]=4 7863 B11R0.81 CCCCCCC(C)OCCS 8480a7d1dac28cbecd276cfd7d327c97 [0,2,0,0,0,0|2,0,0]=4 7864 B11R0.81 CCCCCCC(C)OCOC 06f3fa4a03b800a6ed03a325da232f19 [0,2,0,0,0,0|2,0,0]=4 7865 B11R0.81 CCCCCCC(C)OCSC 0ce08d2ad40e1d3e2328da6bf608dda4 [0,2,0,0,0,0|2,0,0]=4 7866 B11R0.81 CCCCCCN(C)CCCC 68edc7b90c1a605cb81ae90468df06f8 [0,2,0,0,0,0|1,0,0]=3 7867 B11R0.81 CCCCCCN(C)CCCF 583474e4b7560d3427b50323904bfdf4 [0,2,0,0,0,0|2,0,0]=4 7868 B11R0.81 CCCCCCN(C)CCCO 2aef5358383be552dd30ac8ca9e5f873 [0,2,0,0,0,0|2,0,0]=4 7869 B11R0.81 CCCCCCN(C)CCCS 37c2fe9c9b56afed7f06f42013189e6a [0,2,0,0,0,0|2,0,0]=4 7870 B11R0.81 CCCCCCN(C)CCOC aee48fbcbffa16ff63420a04725f1cc8 [0,2,0,0,0,0|2,0,0]=4 7871 B11R0.81 CCCCCCN(C)CCSC c3dbb3b0530a270c42e2199568426497 [0,2,0,0,0,0|2,0,0]=4 7872 B11R0.81 CCCCCCN(C)COCC 4256dc792678229268def9256538aa89 [0,2,0,0,0,0|2,0,0]=4 7873 B11R0.81 CCCCCC[C@@H](C)NCCC 7405a222267b08859e40d01e337c8630 [0,2,0,0,0,0|1,0,0]=3 7874 B11R0.81 CCCCCC[C@@H](C)NCCF d2c2bf31456d95d43bb273b682730221 [0,2,0,0,0,0|2,0,0]=4 7875 B11R0.81 CCCCCC[C@@H](C)NCCO 58aca5a2be6637938056556584adf0c5 [0,2,0,0,0,0|2,0,0]=4 7876 B11R0.81 CCCCCC[C@@H](C)NCCS d10c0e471289bbefd3c096768b171113 [0,2,0,0,0,0|2,0,0]=4 7877 B11R0.81 CCCCCC[C@@H](C)NCOC e181feaa5d5ad0448f83ffdde990a1ea [0,2,0,0,0,0|2,0,0]=4 7878 B11R0.81 CCCCCC[C@@H](C)NCSC 9c8d7d153c774776c7e9d40279c62f8e [0,2,0,0,0,0|2,0,0]=4 7879 B11R0.81 CCCCCC[C@@H](C)OCCC 2e5a993043dda8cbe04b4c5a7ec49973 [0,2,0,0,0,0|1,0,0]=3 7880 B11R0.81 CCCCCC[C@@H](C)OCCF b6467c74c9589cf5fb41339589cc2368 [0,2,0,0,0,0|2,0,0]=4 7881 B11R0.81 CCCCCC[C@@H](C)OCCS 3754d26fdd954c90f1c6f32ccfc437fc [0,2,0,0,0,0|2,0,0]=4 7882 B11R0.81 CCCCCC[C@@H](C)OCOC c4f6ce6ce697e0f7c254cbe51e7b0e91 [0,2,0,0,0,0|2,0,0]=4 7883 B11R0.81 CCCCCC[C@@H](C)OCSC 9f514d0333870d7a5b338269c3a53dcb [0,2,0,0,0,0|2,0,0]=4 7884 B11R0.81 CCCCCC[C@H](C)NCCC be780c73d2e2093087ff3f7aa1472464 [0,2,0,0,0,0|1,0,0]=3 7885 B11R0.81 CCCCCC[C@H](C)NCCF ea4a8bf41df67c76a8fb00f888898aa7 [0,2,0,0,0,0|2,0,0]=4 7886 B11R0.81 CCCCCC[C@H](C)NCCO 8fbbf3b644301d85f6bafefddb099f7d [0,2,0,0,0,0|2,0,0]=4 7887 B11R0.81 CCCCCC[C@H](C)NCCS 5ab1cd6602eb2dbf852fb25475c98599 [0,2,0,0,0,0|2,0,0]=4 7888 B11R0.81 CCCCCC[C@H](C)NCOC 240a56e35c96a621a7bf50242dbe6d97 [0,2,0,0,0,0|2,0,0]=4 7889 B11R0.81 CCCCCC[C@H](C)NCSC ce4750a5c2344189593632ceefecd724 [0,2,0,0,0,0|2,0,0]=4 7890 B11R0.81 CCCCCC[C@H](C)OCCC d12d50ac24407591cb230f2d190f19fa [0,2,0,0,0,0|1,0,0]=3 7891 B11R0.81 CCCCCC[C@H](C)OCCF 8df5cfe0970d2ffe80cceac0dc1218aa [0,2,0,0,0,0|2,0,0]=4 7892 B11R0.81 CCCCCC[C@H](C)OCCS 97e92c77de3d8a6ecd62ad2a46c3ab4f [0,2,0,0,0,0|2,0,0]=4 7893 B11R0.81 CCCCCC[C@H](C)OCOC 0d2245dbcd4d44496373623bc1bbc23a [0,2,0,0,0,0|2,0,0]=4 7894 B11R0.81 CCCCCC[C@H](C)OCSC c88ec367c5134901cf2852a687aee963 [0,2,0,0,0,0|2,0,0]=4 7895 B11R0.81 CCCCCNC(=O)CCCC a06834419102a1558a19fb3a1406cfb0 [0,2,0,0,0,0|1,0,0]=3 7896 B11R0.81 CCCCCNC(=O)CCCF cb3b728da5cd7a0af32935f0696071b9 [0,2,0,0,0,0|1,0,1]=4 7897 B11R0.81 CCCCCNC(=O)CCCS 2ce8fa8be7e233b98c683adc51803bf5 [0,2,0,0,0,0|1,0,1]=4 7898 B11R0.81 CCCCCNC(=O)CCOC 99bac40aabd096dca01631fdf32d2a4b [0,2,0,0,0,0|1,0,1]=4 7899 B11R0.81 CCCCCNC(=O)CCSC 307383e6c5c252e00e4647926ad02c1d [0,2,0,0,0,0|1,0,1]=4 7900 B11R0.81 CCCCCNC(=O)COCC 11ebeee9fef7d60698beadcb88e4cda2 [0,2,0,0,0,0|1,0,1]=4 7901 B11R0.81 CCCCCNC(=O)CSCC bf3d4e842c78e9ee2405e5f2f5ac3c0b [0,2,0,0,0,0|1,0,1]=4 7902 B11R0.81 CCCCCNC(=O)NCCC 2fb53f51cf25e3deb1739f07400adf03 [0,2,0,0,0,0|1,0,1]=4 7903 B11R0.81 CCCCCNC(=S)NCCC ed0ecaf90096623a47ce63768da8393e [0,2,0,0,0,0|1,0,1]=4 7904 B11R0.81 CCCCCNC(C)CCC#N 9e5b65b6b799ccabc96482f9e9494bf7 [0,2,0,0,0,0|1,0,1]=4 7905 B11R0.81 CCCCCNC(C)CCCC b51643b11e90e217951ac49e9c0fa8df [0,2,0,0,0,0|1,0,0]=3 7906 B11R0.81 CCCCCNC(C)CCCO 406073321f0839fe6087b998442feca1 [0,2,0,0,0,0|1,0,0]=3 7907 B11R0.81 CCCCCN[C@H](C)CCCC a88e430f1a54dc3ca544448f280d28fd [0,2,0,0,0,0|1,0,0]=3 7908 B11R0.81 CCCCCN[C@H](C)CCCO 7315223bb4b33e83083e6a29b9477bde [0,2,0,0,0,0|1,0,0]=3 7909 B11R0.81 CCCCCOC(C)CCC#N 8813d1f36a8440491e3c10ec5e376a6b [0,2,0,0,0,0|0,0,1]=3 7910 B11R0.81 CCCCCOC(C)CCCC c7acc1e25061124a677e93a98c4880c3 [0,2,0,0,0,0|0,0,0]=2 7911 B11R0.81 CCCCCOC(C)CCOC 3555ff59923511d754322ff7e4637c44 [0,2,0,0,0,0|0,0,0]=2 7912 B11R0.81 CCCCCOC(C)CCSC 21797afa09805aa2e8c90995e7cc52f9 [0,2,0,0,0,0|0,0,0]=2 7913 B11R0.81 CCCCCOC(C)COCC 80662504cc64bf3b17cddbdf417cd303 [0,2,0,0,0,0|0,0,0]=2 7914 B11R0.81 CCCCCO[C@@H](C)CCCC a39e9f1d5c06f929dc091d3b55f09321 [0,2,0,0,0,0|0,0,0]=2 7915 B11R0.81 CCCCCO[C@H](C)CCCC f537dfc938a1fd068dc349c4b7b77c37 [0,2,0,0,0,0|0,0,0]=2 7916 B11R0.81 CCCCN(C)CCCCC#N fc272020e145cede757477d422169912 [0,2,0,0,0,0|1,0,1]=4 7917 B11R0.81 CCCCN(C)CCCCC=O c6e698eb75e859b534a514a0c3560711 [0,2,0,0,0,0|1,0,1]=4 7918 B11R0.81 CCCCN(C)CCCCCF 4d14758e62814a91ca9260401d3fd5e4 [0,2,0,0,0,0|1,0,0]=3 7919 B11R0.81 CCCCN(C)CCCCCO c5675d46ea3544a800eca8dfc876b4c2 [0,2,0,0,0,0|1,0,0]=3 7920 B11R0.81 CCCCN(C)CCCCOC d1a49086e35fed83caddb81e23dd5e5c [0,2,0,0,0,0|1,0,0]=3 7921 B11R0.81 CCCCN(C)CCCCON 88f0cbf2770a515571034a0f3660eb6e [0,2,0,0,0,0|2,0,0]=4 7922 B11R0.81 CCCCN(C)CCCNCC 6e61cd18b0252f2f209015d25156d134 [0,2,0,0,0,0|1,0,0]=3 7923 B11R0.81 CCCCN(C)CCCNCF 7f2da4f3375249b5c3fe9d491b1eacdd [0,2,0,0,0,0|2,0,0]=4 7924 B11R0.81 CCCCN(C)CCCNCO a152fbf2b8d31143a4ace281743fb47f [0,2,0,0,0,0|2,0,0]=4 7925 B11R0.81 CCCCN(C)CCCOCC 7c044657e095600ce23589d50b73987e [0,2,0,0,0,0|1,0,0]=3 7926 B11R0.81 CCCCN(C)CCCSCC ce98f45dd349d541817d370bcf2f009a [0,2,0,0,0,0|1,0,0]=3 7927 B11R0.81 CCCCN(C)CCNCCC f26241bd65ebe7441e242827753a91d9 [0,2,0,0,0,0|1,0,0]=3 7928 B11R0.81 CCCCN(C)CCNCCF 17d0ac496381986b055ca22ceb4dcdaf [0,2,0,0,0,0|2,0,0]=4 7929 B11R0.81 CCCCN(C)CCNCCO 9c558c414ea2879ce3fc34aec6940ab4 [0,2,0,0,0,0|2,0,0]=4 7930 B11R0.81 CCCCN(C)CCNCCS 98e26f710291a50230e2ac9bb5c806c1 [0,2,0,0,0,0|2,0,0]=4 7931 B11R0.81 CCCCN(C)CCNCOC c4ae7f6cf277c6d1e5adf54bb505386e [0,2,0,0,0,0|2,0,0]=4 7932 B11R0.81 CCCCN(C)CCNCSC a0a2b0db6a5b359db509183ae58e9341 [0,2,0,0,0,0|2,0,0]=4 7933 B11R0.81 CCCCN(C)CCOCCC 6d0636061ab64a8f235e12af4f565931 [0,2,0,0,0,0|1,0,0]=3 7934 B11R0.81 CCCCN(C)CCOCCO 1ef8c7ec2bad253c49051d242e35778e [0,2,0,0,0,0|2,0,0]=4 7935 B11R0.81 CCCCN(C)CCOCOC adce2fc2dafa08870a1b29ece75ae271 [0,2,0,0,0,0|2,0,0]=4 7936 B11R0.81 CCCCN(C)COCCOC c01d2e6a196ac5372c0b838d8cd52113 [0,2,0,0,0,0|1,0,0]=3 7937 B11R0.81 CCCCNCC(=O)CCSC 85cdcea0a9b1cf078809a10dbbdf3702 [0,2,0,0,0,0|1,0,1]=4 7938 B11R0.81 CCCCNCC(=O)NCCC 1203a7b7d7c0248e84b16088ce84c2c6 [0,2,0,0,0,0|1,0,1]=4 7939 B11R0.81 CCCCNCC(=O)OCCC 5112f77fa578dbe165c4f7b30cf9dcd3 [0,2,0,0,0,0|1,0,1]=4 7940 B11R0.81 CCCCNCC(O)CCCC fead52412d0cf6070e098352c1c7fba2 [0,2,0,0,0,0|1,0,0]=3 7941 B11R0.81 CCCCNCC(O)COCC 242e8e2cac1bc4ae89e6dc3b4eac0183 [0,2,0,0,0,0|1,0,0]=3 7942 B11R0.81 CCCCNC[C@H](C)CCCO 0fc13b38840d250bb93148c460e32459 [0,2,0,0,0,0|1,0,0]=3 7943 B11R0.81 CCCCOCC(=O)CCSC dbd0d7739b9bd0f4e7f18e93ebf96429 [0,2,0,0,0,0|0,0,1]=3 7944 B11R0.81 CCCCOCC(=O)NCCBr 36760cee347953899875c7a6baf2be52 [0,2,0,0,0,0|1,0,1]=4 7945 B11R0.81 CCCCOCC(=O)NCCC f056b523414cfd937e64d3e95507274e [0,2,0,0,0,0|0,0,1]=3 7946 B11R0.81 CCCCOCC(=O)NCCF d0f46a978fa7f79cfc41018a3bf32e0b [0,2,0,0,0,0|1,0,1]=4 7947 B11R0.81 CCCCOCC(=O)NCCI 2e3211d82f8259a9d4b8c78d64b512dc [0,2,0,0,0,0|1,0,1]=4 7948 B11R0.81 CCCCOCC(=O)NCCO 4c155cdf47da603c7edf6d1efbf727c7 [0,2,0,0,0,0|1,0,1]=4 7949 B11R0.81 CCCCOCC(=O)NCCS 83aa5e44cc5bfb76c81802b5a9a0c183 [0,2,0,0,0,0|1,0,1]=4 7950 B11R0.81 CCCCOCC(=O)OCCC 2f30b4a3ea1d1302768c7d1388237bfc [0,2,0,0,0,0|0,0,1]=3 7951 B11R0.81 CCCCOCC(C)CCCC 3db2ee05274ae0f68ed9b24f1b358565 [0,2,0,0,0,0|0,0,0]=2 7952 B11R0.81 CCCCOCC(C)COCC 69f46e00c6b95ff6f5f3ead63c458eaa [0,2,0,0,0,0|0,0,0]=2 7953 B11R0.81 CCCCOCC(C)OCC#N 129108f5dcfa77cecd56662ec5e80ddf [0,2,0,0,0,0|1,0,1]=4 7954 B11R0.81 CCCCOCC(C)OCC=O 4ec97aebde4285e27b8683843835bd1d [0,2,0,0,0,0|1,0,1]=4 7955 B11R0.81 CCCCOCC(C)OCCC 8b31d479727942f0ab31a8163b4f1efe [0,2,0,0,0,0|0,0,0]=2 7956 B11R0.81 CCCCOCC(C)OCCF 2083cc1731677e9f0d76288bb8c3d4bd [0,2,0,0,0,0|1,0,0]=3 7957 B11R0.81 CCCCOCC(C)OCCS dfd9eb216ff95c0acffbb2539f99efc8 [0,2,0,0,0,0|1,0,0]=3 7958 B11R0.81 CCCCOCC(C)OCSC 79660bd0650dd837f9660b7c734b6704 [0,2,0,0,0,0|1,0,0]=3 7959 B11R0.81 CCCCOCN(C)CCC#N a250f6d7c39a154cdce3164474ae8d20 [0,2,0,0,0,0|1,0,1]=4 7960 B11R0.81 CCCCOCN(C)CCCC 31a402937162b9c42c35cc8c301fe9fa [0,2,0,0,0,0|0,0,0]=2 7961 B11R0.81 CCCCOCN(C)CCCO 7b8256c566dc2bf6af0a9809f0b8e420 [0,2,0,0,0,0|1,0,0]=3 7962 B11R0.81 CCCCOCN(C)CCOC 0135a91e3e2347562c1b73e7bada367f [0,2,0,0,0,0|1,0,0]=3 7963 B11R0.81 CCCCOCN(C)CCON 079dc5a2c319b14984742f7b71d3a7db [0,2,0,0,0,0|2,0,0]=4 7964 B11R0.81 CCCCOCN(C)CCSC 67e45d6ea3f6fbfaec6af022cd9df1fd [0,2,0,0,0,0|1,0,0]=3 7965 B11R0.81 CCCCOC[C@@H](C)OCOC 9610862535382fd94ba4c276fa335460 [0,2,0,0,0,0|1,0,0]=3 7966 B11R0.81 CCCCSCC(=O)NCCC 4848b6ae9b9a4132a6a654f6b4b01bb2 [0,2,0,0,0,0|0,1,1]=4 7967 B11R0.81 CCCC[C@@H](C)NCCCC#N 85a9484b96afa574341b741788c46948 [0,2,0,0,0,0|1,0,1]=4 7968 B11R0.81 CCCC[C@@H](C)NCCCC=O f87016ea6e27a603bf1b4c519c92dfb3 [0,2,0,0,0,0|1,0,1]=4 7969 B11R0.81 CCCC[C@@H](C)NCCCCF 85b70c7807765ffdeb617717191a2396 [0,2,0,0,0,0|1,0,0]=3 7970 B11R0.81 CCCC[C@@H](C)NCCCCO 09767edc918506fb3bfb78bd2e9f817b [0,2,0,0,0,0|1,0,0]=3 7971 B11R0.81 CCCC[C@@H](C)NCCCOC c878c253711af33456a049aedaca55f3 [0,2,0,0,0,0|1,0,0]=3 7972 B11R0.81 CCCC[C@@H](C)NCCCSC e95df964c06c195601a9bd1802fa7062 [0,2,0,0,0,0|1,0,0]=3 7973 B11R0.81 CCCC[C@@H](C)NCCOCC ede3c764745d319bf3325bb3f8115922 [0,2,0,0,0,0|1,0,0]=3 7974 B11R0.81 CCCC[C@@H](C)NCCSCC 54189f3f8b21ad036bc8c5cf5fc6af4e [0,2,0,0,0,0|1,0,0]=3 7975 B11R0.81 CCCC[C@@H](C)OCCCC#N 80563800d43cf5c2901b31164944505e [0,2,0,0,0,0|0,0,1]=3 7976 B11R0.81 CCCC[C@@H](C)OCCCC=O 33560d2aa36996116c95fbb597e61f2a [0,2,0,0,0,0|0,0,1]=3 7977 B11R0.81 CCCC[C@@H](C)OCCCCF 7f52bac65ec8084338763b2d0a554303 [0,2,0,0,0,0|0,0,0]=2 7978 B11R0.81 CCCC[C@@H](C)OCCCOC 28fefcc2bee75d3de0b11f5b06669b07 [0,2,0,0,0,0|0,0,0]=2 7979 B11R0.81 CCCC[C@@H](C)OCCCSC 5e928d830a74530968f07864c4e685d3 [0,2,0,0,0,0|0,0,0]=2 7980 B11R0.81 CCCC[C@@H](C)OCCOCC 9a42cd4b604e33cac23cd89ad4684f1d [0,2,0,0,0,0|0,0,0]=2 7981 B11R0.81 CCCC[C@@H](C)OCCSCC 0c7bacedbf026662c629335f79703299 [0,2,0,0,0,0|0,0,0]=2 7982 B11R0.81 CCCC[C@H](C)OCCCC#N a90bd81f7ffb918b0bfdee754d3d2781 [0,2,0,0,0,0|0,0,1]=3 7983 B11R0.81 CCCC[C@H](C)OCCCC=O 0783f36bcd2da041c1e1393a2154098e [0,2,0,0,0,0|0,0,1]=3 7984 B11R0.81 CCCC[C@H](C)OCCCCF 66a1103ee6962fc029cef451704ff0a9 [0,2,0,0,0,0|0,0,0]=2 7985 B11R0.81 CCCC[C@H](C)OCCCOC 2e326035fbc44d4a5717b5e254201a67 [0,2,0,0,0,0|0,0,0]=2 7986 B11R0.81 CCCC[C@H](C)OCCCSC b6252492b952dcea5c33941eff732fa8 [0,2,0,0,0,0|0,0,0]=2 7987 B11R0.81 CCCC[C@H](C)OCCOCC 9d1ae575c5f34c17b77ad89ca30fa091 [0,2,0,0,0,0|0,0,0]=2 7988 B11R0.81 CCCC[C@H](C)OCCSCC 924d4d546c762bc8b477026685ab3bb0 [0,2,0,0,0,0|0,0,0]=2 7989 B11R0.81 CCCNC(=O)CCCCCF baedcab883c63ad1db8337ad163f430a [0,2,0,0,0,0|2,0,0]=4 7990 B11R0.81 CCCNC(=O)CCCCCO a7c6a98522f11fc91ddc59d3a1df544e [0,2,0,0,0,0|2,0,0]=4 7991 B11R0.81 CCCNC(=O)CCCCCS 0c7dd76a2b4a4cc878012c4009f0ab59 [0,2,0,0,0,0|2,0,0]=4 7992 B11R0.81 CCCNC(=O)CCOCCC 42553a8c8b926fca8611ff8d68aeae7a [0,2,0,0,0,0|2,0,0]=4 7993 B11R0.81 CCCNC(=O)COCCCF 0000ec8366505420b7c2e6a09c2f7961 [0,2,0,0,0,0|1,0,1]=4 7994 B11R0.81 CCCNC(=O)COCCCS de63b71b0f7035966e466ae17d7a3be7 [0,2,0,0,0,0|1,0,1]=4 7995 B11R0.81 CCCNC(=O)COCCOC af33a5b5c0db067923300c8b3b6eec8e [0,2,0,0,0,0|1,0,1]=4 7996 B11R0.81 CCCNC(=O)COCCSC 059b55f6691c8ee758c6b6d54a350136 [0,2,0,0,0,0|1,0,1]=4 7997 B11R0.81 CCCNCOC(=O)OCCC 4d1a92bf22713f11d028be261523bf97 [0,2,0,0,0,0|1,0,1]=4 7998 B11R0.81 CCCOC(=O)COCCCF 9ca752a218f7446ba1ab857544374ed1 [0,2,0,0,0,0|1,0,1]=4 7999 B11R0.81 CCCOC(=O)COCCCS ec467b7eb9b33603d2320c0156a04d36 [0,2,0,0,0,0|1,0,1]=4 8000 B11R0.81 CCCOC(=O)COCCOC ef51b9c77d5fe2c9e49043eaac4b1775 [0,2,0,0,0,0|1,0,1]=4 8001 B11R0.81 CCCOC(=O)COCCSC ed58dbd3c9afe030aafa25af7a474fbf [0,2,0,0,0,0|1,0,1]=4 8002 B11R0.81 CCCOCCC(=O)OCCC 6ee22521ff14ec2304cdca3071c00c79 [0,2,0,0,0,0|2,0,0]=4 8003 B11R0.81 CCCOCCN(C)CCCO 14d40287242118a355b52df6ecfdf802 [0,2,0,0,0,0|2,0,0]=4 8004 B11R0.81 CCCOCCN(C)CCOC 7ea69a8a29c80280871bbf7ab3edd7a8 [0,2,0,0,0,0|2,0,0]=4 8005 B11R0.81 CCCOCCN(C)CCSC 362de09b39489fa0e614b4b2f008cec8 [0,2,0,0,0,0|2,0,0]=4 8006 B11R0.81 CCCOCOC(=O)OCCC 7cd19f7197089ff3a04837dd12236c27 [0,2,0,0,0,0|1,0,1]=4 8007 B11R0.81 CCOCC(C)COCCC#N b0d3b6a133a6d97b311d44cd45b49cb1 [0,2,0,0,0,0|1,0,1]=4 8008 B11R0.81 CCOCC(C)COCCC=O 0c44079043efe28d0200acb476062bd2 [0,2,0,0,0,0|1,0,1]=4 8009 B11R0.81 CCOCC(C)COCCCF 53771ddd68ef01039c45e6b0a88ff525 [0,2,0,0,0,0|1,0,0]=3 8010 B11R0.81 CCOCC(C)COCCCS 326b1540e0277979a83fcb9367943ecd [0,2,0,0,0,0|1,0,0]=3 8011 B11R0.81 CCOCC(C)COCCOC 964accc83a7213b8cd452638b887ec66 [0,2,0,0,0,0|1,0,0]=3 8012 B11R0.81 CCOCC(C)COCCSC 063f753c9a7d4669bb00cb981ec6e789 [0,2,0,0,0,0|1,0,0]=3 8013 B11R0.81 CCOCC(C)OCCCC#N 3bd357f161b27b7a7e93746b9cf0c15f [0,2,0,0,0,0|1,0,1]=4 8014 B11R0.81 CCOCC(C)OCCCC=O 853c41f9078a64dcec5ad62ee9841199 [0,2,0,0,0,0|1,0,1]=4 8015 B11R0.81 CCOCC(C)OCCCCF 64ea798d594bc8abca0945e2b386faa9 [0,2,0,0,0,0|1,0,0]=3 8016 B11R0.81 CCOCC(C)OCCCOC 81f31b851b9864d3b70fe6b7b104f40e [0,2,0,0,0,0|1,0,0]=3 8017 B11R0.81 CCOCC(C)OCCCSC 5d2ed050128df03d0423530207597454 [0,2,0,0,0,0|1,0,0]=3 8018 B11R0.81 CCOCC(C)OCCSCC b696e23ca82c1d7658f1f43795117d38 [0,2,0,0,0,0|1,0,0]=3 8019 B11R0.81 CCOCC(O)CNCCCF 83225f11d333f24af7cd1306b2de3894 [0,2,0,0,0,0|2,0,0]=4 8020 B11R0.81 CCOCC(O)CNCCCO 66b71d647a0a0caba3ef433919db12e7 [0,2,0,0,0,0|2,0,0]=4 8021 B11R0.81 CCOCC(O)CNCCCS 798e26a92ebef8383ae1c03d2725e5df [0,2,0,0,0,0|2,0,0]=4 8022 B11R0.81 CCOCC(O)CNCCOC bfc985f0a960f333127c24eacb471153 [0,2,0,0,0,0|2,0,0]=4 8023 B11R0.81 CCOCC(O)CNCCSC d8c6e5fd6decc4a9ec83283da7b7ffeb [0,2,0,0,0,0|2,0,0]=4 8024 B11R0.81 CCOCCCN(C)CCCO d898280d3de793667ff60e92c9103be0 [0,2,0,0,0,0|2,0,0]=4 8025 B11R0.81 CCOCCCN(C)CCOC 7ad06f7fbfa7f28daf1397146ddabbde [0,2,0,0,0,0|2,0,0]=4 8026 B11R0.81 CCOCCCN(C)CCSC 9b3c338b49d7a9bd6080ebb8e28aa87b [0,2,0,0,0,0|2,0,0]=4 8027 B11R0.81 CCOCCNC(C)CCCO d4c248ec7ecf4eae7fc0a903630dd691 [0,2,0,0,0,0|2,0,0]=4 8028 B11R0.81 CCOCCN[C@H](C)CCCO e6b3d1c720a5c30e5cb30dcdfbc250e4 [0,2,0,0,0,0|2,0,0]=4 8029 B11R0.81 CCOCCOC(C)CCC#N 4e4e7f65c5f08f0817143fd4cab23560 [0,2,0,0,0,0|1,0,1]=4 8030 B11R0.81 CCOCCOC(C)CCOC 5a27a2cc450daa9af024a740d69ddf22 [0,2,0,0,0,0|1,0,0]=3 8031 B11R0.81 CCOCCOC(C)CCSC 7de61f538769c182abf4e9f43ff55910 [0,2,0,0,0,0|1,0,0]=3 8032 B11R0.81 CCOCCOC(C)COCC 14e0131ebed50a49c9a5125f01819540 [0,2,0,0,0,0|1,0,0]=3 8033 B11R0.81 CCOCN(C)CCCCCO 7048ac7c54f2f91913bbba8e81d4af9c [0,2,0,0,0,0|2,0,0]=4 8034 B11R0.81 CCOCN(C)CCCCOC 3763ab7eafc6dba5c2e24d1502fd3764 [0,2,0,0,0,0|2,0,0]=4 8035 B11R0.81 CCOCNCC(O)COCC 5683c70ce1f031836891a082cc593b2e [0,2,0,0,0,0|2,0,0]=4 8036 B11R0.81 CCOCNC[C@H](C)CCCO 81f41ee6a424458bf94b05ee9458aafd [0,2,0,0,0,0|2,0,0]=4 8037 B11R0.81 CCOCOC[C@@H](C)OCOC 29893475054f72a582c05c25fe10a0a9 [0,2,0,0,0,0|2,0,0]=4 8038 B11R0.81 CCSCCCN(C)CCCO 88a988c274cb90a00125aabc06e5b896 [0,2,0,0,0,0|2,0,0]=4 8039 B11R0.81 CCSCCCN(C)CCOC 7afabe3ededd123c9cd9c668f6db4362 [0,2,0,0,0,0|2,0,0]=4 8040 B11R0.81 CCSCCCN(C)CCSC 21a5d8e340f7c1f9e1eefe92554c74fa [0,2,0,0,0,0|2,0,0]=4 8041 B11R0.81 CCSCCNC(C)CCCO 4f4ed8f2924cf231a3fc816104b9d2c2 [0,2,0,0,0,0|2,0,0]=4 8042 B11R0.81 CCSCCN[C@H](C)CCCO 611bd191d837444b30900f1aa052ead2 [0,2,0,0,0,0|2,0,0]=4 8043 B11R0.81 CCSCCOC(C)CCC#N b4f2e6ebcd56db1b1f9ae32f71ed1dfb [0,2,0,0,0,0|1,0,1]=4 8044 B11R0.81 CCSCCOC(C)CCOC 5738852b0e4dc19fc5d5009b0cb48607 [0,2,0,0,0,0|1,0,0]=3 8045 B11R0.81 CCSCCOC(C)CCSC 85c960f65a9543e0b152de61b09d66d4 [0,2,0,0,0,0|1,0,0]=3 8046 B11R0.81 CN(CCCF)CCCCCO 0182ffec7107b05a21248031f1546c8e [0,2,0,0,0,0|2,0,0]=4 8047 B11R0.81 CN(CCCO)CCCCCF 1f5ce404ad556a7dbc61e37c93949c3b [0,2,0,0,0,0|2,0,0]=4 8048 B11R0.81 CN(CCCO)CCCCCO a0812194ae2d4b2e93c7877c25f5b26d [0,2,0,0,0,0|2,0,0]=4 8049 B11R0.81 CN(CCCS)CCCCCO 9855517f75ae9b851bb6e79bea69647d [0,2,0,0,0,0|2,0,0]=4 8050 B11R0.81 COCCC(C)OCCCC#N 98263a6620e0e537e21eb5844844610d [0,2,0,0,0,0|1,0,1]=4 8051 B11R0.81 COCCC(C)OCCCC=O 36253b86b20ec6fc55e207c9db9149ea [0,2,0,0,0,0|1,0,1]=4 8052 B11R0.81 COCCC(C)OCCCCF 1de3889f92bb13af5ab9992f8b1852c6 [0,2,0,0,0,0|1,0,0]=3 8053 B11R0.81 COCCC(C)OCCCSC 98036e9e3ea87fae013ad740752c2e4a [0,2,0,0,0,0|1,0,0]=3 8054 B11R0.81 COCCCCN(C)CCCF 07b95fa94670d4861dafd30d8ec9e137 [0,2,0,0,0,0|2,0,0]=4 8055 B11R0.81 COCCCCN(C)CCCO f12f9f453324334ff6bea94f50dbdb0e [0,2,0,0,0,0|2,0,0]=4 8056 B11R0.81 COCCCCN(C)CCCS 2e50da7d6052e098778c4cc8a84a5e34 [0,2,0,0,0,0|2,0,0]=4 8057 B11R0.81 COCCCCN(C)CCOC 951fa39528043cad2415cf5bfe3b6017 [0,2,0,0,0,0|2,0,0]=4 8058 B11R0.81 COCCCCN(C)CCSC 4d73362633772d6a4d789cb568af4d61 [0,2,0,0,0,0|2,0,0]=4 8059 B11R0.81 COCCCNC(C)CCCO 8c93a8dd780d647de5eebb8cb2822355 [0,2,0,0,0,0|2,0,0]=4 8060 B11R0.81 COCCCN[C@H](C)CCCO 74b1d8adb7a86c7b81ae91d8bd4526fa [0,2,0,0,0,0|2,0,0]=4 8061 B11R0.81 COCCCOC(C)CCC#N bee2288e8ef4753691fb74cc99a225a6 [0,2,0,0,0,0|1,0,1]=4 8062 B11R0.81 COCCCOC(C)CCOC a0673e2800ff26949528cff7faa849a3 [0,2,0,0,0,0|1,0,0]=3 8063 B11R0.81 COCCCOC(C)CCSC d48fcef151d50fc865ae73b90d2dc3c2 [0,2,0,0,0,0|1,0,0]=3 8064 B11R0.81 COCCN(C)CCCCCF fe79961f9eb8d26e5c8e6e0c4f6d959d [0,2,0,0,0,0|2,0,0]=4 8065 B11R0.81 COCCN(C)CCCCCO 66500174138868ca4b06b4dd6e2566e2 [0,2,0,0,0,0|2,0,0]=4 8066 B11R0.81 COCCNC[C@H](C)CCCO 15cc39b13bff3dc57a7eb5d2d7c49965 [0,2,0,0,0,0|2,0,0]=4 8067 B11R0.81 COCCOCC(=O)CCSC bf443902e1b236552ef3f67d8fe6d8d2 [0,2,0,0,0,0|1,0,1]=4 8068 B11R0.81 COCCOCN(C)CCCO 21fe494bc17c2c111fe4e145dc3b7a83 [0,2,0,0,0,0|2,0,0]=4 8069 B11R0.81 COCCOCN(C)CCOC 89976ae91c84e8fa2623279104e6eaaa [0,2,0,0,0,0|2,0,0]=4 8070 B11R0.81 COCCOCN(C)CCSC 6c4153ddbc3261d73b50bdf317c36dfe [0,2,0,0,0,0|2,0,0]=4 8071 B11R0.81 COCCOC[C@@H](C)OCOC b0c448487e9b88ddda4e8c4f4babdd32 [0,2,0,0,0,0|2,0,0]=4 8072 B11R0.81 COCO[C@H](C)COCCCF 9f7a4f54a52f13846f967dd11776bbc0 [0,2,0,0,0,0|2,0,0]=4 8073 B11R0.81 COCO[C@H](C)COCCCS 72b7692f1e56ed499685414fdf672571 [0,2,0,0,0,0|2,0,0]=4 8074 B11R0.81 COCO[C@H](C)COCCSC 65e98b5b59aa0bf31d852b44bc0d547f [0,2,0,0,0,0|2,0,0]=4 8075 B11R0.81 CSCCC(=O)COCCCF 6987f6fc8904dd5119a0ef8b37b5c10b [0,2,0,0,0,0|1,0,1]=4 8076 B11R0.81 CSCCC(=O)COCCCS cdac7e787767a3913cf911e7f14dbf0d [0,2,0,0,0,0|1,0,1]=4 8077 B11R0.81 CSCCC(C)OCCCC#N a396520bfe3a31af5ec24e1ef6b4eb1d [0,2,0,0,0,0|1,0,1]=4 8078 B11R0.81 CSCCC(C)OCCCC=O db14670b0c1d8f17159399dbb2bb51b7 [0,2,0,0,0,0|1,0,1]=4 8079 B11R0.81 CSCCC(C)OCCCCF 52b7807a611cb1559a94c7f4dc5a307d [0,2,0,0,0,0|1,0,0]=3 8080 B11R0.81 CSCCCNC(C)CCCO 176cce3f243f14380711b0eca417ad14 [0,2,0,0,0,0|2,0,0]=4 8081 B11R0.81 CSCCCN[C@H](C)CCCO a2b938909fb7317658cf016f00c4106a [0,2,0,0,0,0|2,0,0]=4 8082 B11R0.81 CSCCCOC(C)CCC#N b1e155307118cdbd16edb84954f28ea3 [0,2,0,0,0,0|1,0,1]=4 8083 B11R0.81 CSCCCOC(C)CCSC 22a4fcc14b77563e25c38d1fd2134588 [0,2,0,0,0,0|1,0,0]=3 8084 B11R0.81 CSCCN(C)CCCCCF 3913333281647df390f4a7e8f62c6586 [0,2,0,0,0,0|2,0,0]=4 8085 B11R0.81 CSCCN(C)CCCCCO 5bf0c44b05edba802738605407c92603 [0,2,0,0,0,0|2,0,0]=4 8086 B11R0.81 CSCCNC[C@H](C)CCCO b336c98d808bbf7e4d173e94f23f0d21 [0,2,0,0,0,0|2,0,0]=4 8087 B11R0.81 CSCCOCC(=O)CCSC 5a133529456a1b1b3e7528e917dbbd7c [0,2,0,0,0,0|1,0,1]=4 8088 B11R0.81 C[C@H](CCCO)CNCCCF 0c0ffbe0a9a8955fb6a91cf70d563833 [0,2,0,0,0,0|2,0,0]=4 8089 B11R0.81 C[C@H](CCCO)CNCCCO 9bbec62a452196d520c519841a322a20 [0,2,0,0,0,0|2,0,0]=4 8090 B11R0.81 C[C@H](CCCO)CNCCCS 13cd4fee98f957ee615d65aebef03c55 [0,2,0,0,0,0|2,0,0]=4 8091 B11R0.81 C[C@H](CCCO)NCCCCF de1013082eaf69cd8ba0576f2a476e4c [0,2,0,0,0,0|2,0,0]=4 8092 B11R0.81 C[C@H](CCCO)NCCCCO 9f33a2f9d1dd1cbe3495a38d74ceb490 [0,2,0,0,0,0|2,0,0]=4 8093 B11R0.142 C#CCCCOC(C)C(C)CC ab9ab0966926c353d7e81fa4a6cbef7b [0,2,0,0,0,0|0,0,2]=4 8094 B11R0.142 C#CCCOCC(C)C(S)CC 0f2b05f77cb6442945c611a12bb726cf [0,2,0,0,0,0|0,0,2]=4 8095 B11R0.142 C/C=C/COCC(C)C(S)CC 22f98c3ffdcd6f6d1e223ad5b7fbfdc5 [0,2,0,0,0,0|0,0,2]=4 8096 B11R0.142 C/C=C\COCC(C)C(S)CC 078bd0cae5567795de2d6295fd2c09d0 [0,2,0,0,0,0|0,0,2]=4 8097 B11R0.142 C=CCCCOC(C)C(C)CC 526a0ebf53f08a00b35bcc7f84fb51c7 [0,2,0,0,0,0|0,0,2]=4 8098 B11R0.142 C=CCCOCC(C)C(S)CC 02e1d7729b4e00a44d5d7c271af4a505 [0,2,0,0,0,0|0,0,2]=4 8099 B11R0.142 C=C[C@@H](C)[C@@H](C)OCCCCC e6d225cb0e600d49814459ea822615c7 [0,2,0,0,0,0|0,0,2]=4 8100 B11R0.142 C=C[C@@H](C)[C@H](C)OCCCCC 08700053bf77ed3d1422ef35ba39bb78 [0,2,0,0,0,0|0,0,2]=4 8101 B11R0.142 C=C[C@H](C)[C@@H](C)OCCCCC bde8b317fee303a7d11bf65b062dcc51 [0,2,0,0,0,0|0,0,2]=4 8102 B11R0.142 C=C[C@H](C)[C@H](C)OCCCCC 5049d82b1a96a51924afd3943b75c733 [0,2,0,0,0,0|0,0,2]=4 8103 B11R0.142 CC/C=C/COC(C)C(C)CC ac0d0b11b9ca2384a20bbf29f7bba083 [0,2,0,0,0,0|0,0,2]=4 8104 B11R0.142 CCC(=O)C(C)OCCCCF 0413028451b2cf3d7d2879bfa43b386b [0,2,0,0,0,0|1,0,1]=4 8105 B11R0.142 CCC(=O)C(C)OCCCCS 7e1309b0fd3c0e389a1be083be288f06 [0,2,0,0,0,0|1,0,1]=4 8106 B11R0.142 CCC(=O)C(C)OCCCOC 29f2fe395472e0f7a455954a55bb8640 [0,2,0,0,0,0|1,0,1]=4 8107 B11R0.142 CCC(=O)C(C)OCCCSC 085ccc65967eee3e0daaa07717744111 [0,2,0,0,0,0|1,0,1]=4 8108 B11R0.142 CCC(C)C(=O)COCCCF c664669e0850df66d13ce537f05ce02e [0,2,0,0,0,0|1,0,1]=4 8109 B11R0.142 CCC(C)C(=O)COCCCS c7e98c2e677a0e42ec5ba20dad8d695a [0,2,0,0,0,0|1,0,1]=4 8110 B11R0.142 CCC(C)C(=O)COCCOC 8be803a225e92820962aa5d12baa1303 [0,2,0,0,0,0|1,0,1]=4 8111 B11R0.142 CCC(C)C(=O)COCCSC 7400b7d9ca088c9216c1ac41130b9654 [0,2,0,0,0,0|1,0,1]=4 8112 B11R0.142 CCC(C)C(C)NCCCCF 6b894aa9ad45a9eb5325cd1fd69ee1cf [0,2,0,0,0,0|2,0,0]=4 8113 B11R0.142 CCC(C)C(C)NCCCCO 446d623864d8db9cfd546289c7cbbb9c [0,2,0,0,0,0|2,0,0]=4 8114 B11R0.142 CCC(C)C(C)NCCCOC 15372234e52dca2d9c2bda7e2d3d5a7d [0,2,0,0,0,0|2,0,0]=4 8115 B11R0.142 CCC(C)C(C)NCCCSC f372cbc77f8ceb5a5a4b8305436705ab [0,2,0,0,0,0|2,0,0]=4 8116 B11R0.142 CCC(C)C(C)OCCCC#N 2e90032df8b1b47164e9c561ddf47fdd [0,2,0,0,0,0|1,0,1]=4 8117 B11R0.142 CCC(C)C(C)OCCCC=O 60491078dfeb410a46d05834bc275e2b [0,2,0,0,0,0|1,0,1]=4 8118 B11R0.142 CCC(C)C(C)OCCCCF e439aaec261a224a3d2a2fcedd867b45 [0,2,0,0,0,0|1,0,0]=3 8119 B11R0.142 CCC(C)C(C)OCCCOC fa8961728d58910ca0761d3ce6aab398 [0,2,0,0,0,0|1,0,0]=3 8120 B11R0.142 CCC(C)C(C)OCCCSC 9eaf0580936b08d19cdaee55d1383dad [0,2,0,0,0,0|1,0,0]=3 8121 B11R0.142 CCC(C)N(C)COCCOC 98c3227d72def80a2d34e9a09a692db7 [0,2,0,0,0,0|2,0,0]=4 8122 B11R0.142 CCC(S)C(C)COCCC#N d8a1e90019f834cc93ad54716c095dc0 [0,2,0,0,0,0|1,0,1]=4 8123 B11R0.142 CCC(S)C(C)COCCC=O c68a289ecdce414273925f8a4f6a450c [0,2,0,0,0,0|1,0,1]=4 8124 B11R0.142 CCC(S)C(C)COCCCF 69827990f4a16375817363224e79831f [0,2,0,0,0,0|1,0,0]=3 8125 B11R0.142 CCC(S)C(C)COCCCS 014c789298fa314f91c3a131b581ff68 [0,2,0,0,0,0|1,0,0]=3 8126 B11R0.142 CCC(S)C(C)COCCOC 9b32d18122ed0052502d523a26b9287b [0,2,0,0,0,0|1,0,0]=3 8127 B11R0.142 CCC(S)C(C)COCCSC 0c17e4cb7ad9593e6037ae0ca192e4eb [0,2,0,0,0,0|1,0,0]=3 8128 B11R0.142 CCCCCCC(C)N(C)CC 5a046b758e661358d4472a4dec24df2e [0,2,0,0,0,0|2,0,0]=4 8129 B11R0.142 CCCCCCN(C)C(C)CC 946ab3903107d1fdaaac2204479ddf05 [0,2,0,0,0,0|2,0,0]=4 8130 B11R0.142 CCCCCNC(=O)C(O)CC 21183fd884d39603cb719fdbecbc4633 [0,2,0,0,0,0|1,0,1]=4 8131 B11R0.142 CCCCCNC(=O)[C@@H](O)CC 97180f2a7c742a9531384571b2698814 [0,2,0,0,0,0|1,0,1]=4 8132 B11R0.142 CCCCCNC(=O)[C@@H](S)CC 247195dcf6a85e69c6026cceff638d19 [0,2,0,0,0,0|1,0,1]=4 8133 B11R0.142 CCCCCNC(=O)[C@H](O)CC 12b674743e61cba5d7a335a161d32295 [0,2,0,0,0,0|1,0,1]=4 8134 B11R0.142 CCCCCNC(C)C(=O)CC f08ad8041b9881421294dcf33e95a044 [0,2,0,0,0,0|1,0,1]=4 8135 B11R0.142 CCCCCNC(C)C(C)CC 53d2731a979b7c57ce5ecbacfef57105 [0,2,0,0,0,0|1,0,0]=3 8136 B11R0.142 CCCCCOC(C)C(=O)CC e1ca68c4c69b484481885dc7e641f465 [0,2,0,0,0,0|0,0,1]=3 8137 B11R0.142 CCCCCOC(C)C(=O)NC 4e04b55b7a01d68352559baee71eb68a [0,2,0,0,0,0|1,0,1]=4 8138 B11R0.142 CCCCCOC(C)C(=O)OC c98b88bf4ee6dc23e9db5b7a644cb7b3 [0,2,0,0,0,0|1,0,1]=4 8139 B11R0.142 CCCCCOC(C)C(C)CC 0c8824b2e9ed5d75ec84a045e18bcc8e [0,2,0,0,0,0|0,0,0]=2 8140 B11R0.142 CCCCCOC(C)C(C)OC 2bf0abeb874e1fff9acb03c2b91d738e [0,2,0,0,0,0|1,0,0]=3 8141 B11R0.142 CCCCCO[C@@H](C)C(=O)OC afd8f96c1d28270745640effa22059a9 [0,2,0,0,0,0|1,0,1]=4 8142 B11R0.142 CCCCCO[C@H](C)C(=O)OC ed1b03b86456edaec6348184ff47bcfd [0,2,0,0,0,0|1,0,1]=4 8143 B11R0.142 CCCCNCC(=O)C(C)CC 4b8362f5fe45d4c24210602e373bdc0e [0,2,0,0,0,0|1,0,1]=4 8144 B11R0.142 CCCCOCC(=O)C(C)CC 569eaf058a3b83f4ded44f4b850c817f [0,2,0,0,0,0|0,0,1]=3 8145 B11R0.142 CCCCOCC(=O)N(C)CC b7ee6fd7e31ee0abfe8ea74be0db3634 [0,2,0,0,0,0|1,0,1]=4 8146 B11R0.142 CCCCOCC(C)C(=O)OC 2a428f13a16476db3c3646a1056d2697 [0,2,0,0,0,0|1,0,1]=4 8147 B11R0.142 CCCCOCC(C)C(S)CC adadad3696fa7ffc69ca56c3cb7a43ce [0,2,0,0,0,0|0,0,0]=2 8148 B11R0.142 CCCCOCC(C)N(C)CC ab4514c0ecbdfa538c6a406c40c9aeb6 [0,2,0,0,0,0|1,0,0]=3 8149 B11R0.142 CCCCOCC(F)C(=O)OC dcce8be3eb0b5248eab081b1171db910 [0,2,0,0,0,0|1,0,1]=4 8150 B11R0.142 CCCCOCN(C)C(C)CC df3a6bceb9444f1c5e4b0b78a24f3ab5 [0,2,0,0,0,0|1,0,0]=3 8151 B11R0.142 CCCCOC[C@@H](C)C(=O)OC b94e575e56b960aca51d1d5ccfdeebf4 [0,2,0,0,0,0|1,0,1]=4 8152 B11R0.142 CCCCOC[C@@H](C)N(C)CC 33881eb931cced1849c5c491ba8a0719 [0,2,0,0,0,0|1,0,0]=3 8153 B11R0.142 CCCCOC[C@H](C)C(=O)OC b41ada1bd4c1876a7499387b56903098 [0,2,0,0,0,0|1,0,1]=4 8154 B11R0.142 CCCCOC[C@H](C)N(C)CC 2f009fe9e8ccd29d6d62f6caa84e97e6 [0,2,0,0,0,0|1,0,0]=3 8155 B11R0.142 CCN(C)C(C)COCCCF 78d5c0f9fb8511872538cedd0a6bb0b9 [0,2,0,0,0,0|2,0,0]=4 8156 B11R0.142 CCN(C)C(C)COCCCS 4b44cd80a7abb27f43d1eac9ac6907bc [0,2,0,0,0,0|2,0,0]=4 8157 B11R0.142 CCN(C)C(C)COCCOC 621bdb36b2bf8466c100c548da851130 [0,2,0,0,0,0|2,0,0]=4 8158 B11R0.142 CCN(C)C(C)COCCSC d0231b0e69f790ee7bb61d9b9cebdac4 [0,2,0,0,0,0|2,0,0]=4 8159 B11R0.142 CCN(C)[C@@H](C)COCCCF 35006aca931e401988416ef90d02ad28 [0,2,0,0,0,0|2,0,0]=4 8160 B11R0.142 CCN(C)[C@@H](C)COCCCS 35a255ccc8f6d52c136d7f864b22b402 [0,2,0,0,0,0|2,0,0]=4 8161 B11R0.142 CCN(C)[C@@H](C)COCCOC 94c21b4ae287493eb9a03fe6620bbc87 [0,2,0,0,0,0|2,0,0]=4 8162 B11R0.142 CCN(C)[C@@H](C)COCCSC 62da56591bd8cc2cf75208bdc2d94fe1 [0,2,0,0,0,0|2,0,0]=4 8163 B11R0.142 CCN(C)[C@H](C)COCCCF d62eafbffe1520bc37746bae9067957b [0,2,0,0,0,0|2,0,0]=4 8164 B11R0.142 CCN(C)[C@H](C)COCCCS afd4b7b9a67dfc4c6243d8ef45e5cb82 [0,2,0,0,0,0|2,0,0]=4 8165 B11R0.142 CCN(C)[C@H](C)COCCOC 993eaa9c8e1b58b9b87b7ea751933473 [0,2,0,0,0,0|2,0,0]=4 8166 B11R0.142 CCN(C)[C@H](C)COCCSC 9e93649529379c99ea13c86b57e83a2d [0,2,0,0,0,0|2,0,0]=4 8167 B11R0.142 CCOCCNC(C)C(C)CC 90ab9271b3987cf8215f5bc11e8b4ba4 [0,2,0,0,0,0|2,0,0]=4 8168 B11R0.142 CCOCCOC(C)C(=O)CC 2d410c72a3ccada8b4376b239c7d3f0d [0,2,0,0,0,0|1,0,1]=4 8169 B11R0.142 CCOCCOC(C)C(C)CC f9ae220b564517167181e6e5b1e22395 [0,2,0,0,0,0|1,0,0]=3 8170 B11R0.142 CCOCCOC(C)C(C)OC a218cc84b0bf4f5c68a8e3872a471cb7 [0,2,0,0,0,0|2,0,0]=4 8171 B11R0.142 CCOCOCC(C)C(S)CC 93031110b5262344897ab682f15758fa [0,2,0,0,0,0|1,0,0]=3 8172 B11R0.142 CCOCOCC(C)N(C)CC bd89e108d402731731919c13c807a9f4 [0,2,0,0,0,0|2,0,0]=4 8173 B11R0.142 CCOCOC[C@@H](C)N(C)CC d09ebc06ba99bd8a823ff8903219121a [0,2,0,0,0,0|2,0,0]=4 8174 B11R0.142 CCOCOC[C@H](C)N(C)CC 2f4a4584c34402fae88ed3fac83c6b12 [0,2,0,0,0,0|2,0,0]=4 8175 B11R0.142 CCSCCNC(C)C(C)CC d3264e99f514736962a8bc8407d5beab [0,2,0,0,0,0|2,0,0]=4 8176 B11R0.142 CCSCCOC(C)C(=O)CC 04a87ea176c2366c869bb8dceb53fa5f [0,2,0,0,0,0|1,0,1]=4 8177 B11R0.142 CCSCCOC(C)C(C)CC 651cf5217c2493a25117605021009319 [0,2,0,0,0,0|1,0,0]=3 8178 B11R0.142 CCSCCOC(C)C(C)OC 4f46423772404fb893865c16b6d679ef [0,2,0,0,0,0|2,0,0]=4 8179 B11R0.142 COC(C)C(C)OCCCCF 38eb7c00cf82c5de3b6621b2140d3e3b [0,2,0,0,0,0|2,0,0]=4 8180 B11R0.142 COC(C)C(C)OCCCSC 50459a905b923b87a9cdba2cfabecbef [0,2,0,0,0,0|2,0,0]=4 8181 B11R0.142 COCCCOC(C)C(C)OC 053de63c1da19c35d638056f20d34c6f [0,2,0,0,0,0|2,0,0]=4 8182 B11R0.155 CCCC(C)N(C)CCCCO b7504d04f6804f06f59a7e479e07cb4c [0,2,0,0,0,0|2,0,0]=4 8183 B11R0.155 CCCC(C)N(C)CCCOC c24039f442135a56f124b506b271718b [0,2,0,0,0,0|2,0,0]=4 8184 B11R0.155 CCCC(C)N(C)CCOCC 8e813c88340a0ddafd27d8e5a133cc48 [0,2,0,0,0,0|2,0,0]=4 8185 B11R0.155 CCCCCC(=O)N(C)CCC 7b3a4a8d0f7eb6e69d5ef5ae6144192e [0,2,0,0,0,0|2,0,0]=4 8186 B11R0.155 CCCCCC(C)N(C)CCC 25324ed71c87513310a1cd3237e9798e [0,2,0,0,0,0|2,0,0]=4 8187 B11R0.155 CCCCCN(C)C(=O)CCC f69c208eb29980023e139971dcc14c2a [0,2,0,0,0,0|1,0,1]=4 8188 B11R0.155 CCCCCN(C)C(C)CCC 970ae3d5f048fc4c68dd55f1f817d726 [0,2,0,0,0,0|1,0,0]=3 8189 B11R0.155 CCCCCN(C)C(C)CCO 6f85dadcf64af0772eade08494b3aae9 [0,2,0,0,0,0|2,0,0]=4 8190 B11R0.155 CCCCCN(C)C(C)COC 48f5bdf3c7f4ced7bd15ca3e10dc6629 [0,2,0,0,0,0|2,0,0]=4 8191 B11R0.155 CCCCCN(C)[C@@H](C)CCO c179fe8254abd0c18f7f5323d461bb2f [0,2,0,0,0,0|2,0,0]=4 8192 B11R0.155 CCCCC[C@H](C)N(C)CCC b092f8147c516893fab842fcd121d6eb [0,2,0,0,0,0|2,0,0]=4 8193 B11R0.155 CCCCNC(=O)C(O)CCC b9d76d00e049f73e65856aca4d1320b1 [0,2,0,0,0,0|1,0,1]=4 8194 B11R0.155 CCCCNC(=O)[C@@H](O)CCC 292e279519b3c81403f95db1afc0d7dc [0,2,0,0,0,0|1,0,1]=4 8195 B11R0.155 CCCCNC(=O)[C@H](O)CCC c49de6f212a5a493258f182200ef6a2d [0,2,0,0,0,0|1,0,1]=4 8196 B11R0.155 CCCCOC(=O)C(C)OCC 27155e1ed43f541a504e02b173f00a3b [0,2,0,0,0,0|1,0,1]=4 8197 B11R0.155 CCCCOC(=O)[C@H](C)NCC 7fbea0a857f37b140821280e76d310a4 [0,2,0,0,0,0|1,0,1]=4 8198 B11R0.155 CCCCOC(=O)[C@H](C)OCC 56fa363abf1d7b957e9fc08fae5bab2b [0,2,0,0,0,0|1,0,1]=4 8199 B11R0.155 CCCCOC(C)C(=O)NCC c61fa4a615c516c3363f1277f54e6ddd [0,2,0,0,0,0|1,0,1]=4 8200 B11R0.155 CCCCOC(C)C(=O)OCC 32fec4c2f5eb0ee354067915f63330a4 [0,2,0,0,0,0|1,0,1]=4 8201 B11R0.155 CCCCOC(F)C(=O)OCC c5b6a6f493ca1a347bfcca5c59811892 [0,2,0,0,0,0|1,0,1]=4 8202 B11R0.155 CCCCO[C@@H](C)C(=O)OCC 5e71c937499181f8c4615a2661d9385e [0,2,0,0,0,0|1,0,1]=4 8203 B11R0.155 CCCCO[C@H](C)C(=O)OCC 35add22490bf98674657b7331e8a0ce2 [0,2,0,0,0,0|1,0,1]=4 8204 B11R0.161 C#CC(CCC)OC/C=C/CC e167e2b75d77696f6cab9ced38efeb7a [0,2,0,0,0,0|0,0,2]=4 8205 B11R0.161 C#CC(CCC)OCC#CCC 659c55d2683f7e9b661690505d5f41b3 [0,2,0,0,0,0|0,0,2]=4 8206 B11R0.161 C#CC(CCC)OCCCC#N 6f4819a805b7b90766aca338eaf468e3 [0,2,0,0,0,0|1,0,1]=4 8207 B11R0.161 C#CC(CCC)OCCCC=C 64cabba8e0fe46ce516e042e660f940f [0,2,0,0,0,0|0,0,2]=4 8208 B11R0.161 C#CC(CCC)OCCCC=O 71b34edd334712b1f25fef3ae314ebcb [0,2,0,0,0,0|1,0,1]=4 8209 B11R0.161 C#CC(CCC)OCCCCC 498b228b33c4c14ae4eeeaf4ffbb7592 [0,2,0,0,0,0|0,0,0]=2 8210 B11R0.161 C#CC(CCC)OCCCCF 366fb4eb86dc1f0a26e72c8dddec2375 [0,2,0,0,0,0|1,0,0]=3 8211 B11R0.161 C#CC(CCC)OCCCOC 419238f15e230da4a1ea74c31375d221 [0,2,0,0,0,0|1,0,0]=3 8212 B11R0.161 C#CC(CCC)OCCCSC ad88d48eb4412940a229911d0e5364a1 [0,2,0,0,0,0|1,0,0]=3 8213 B11R0.161 C#CC(CCC)OCCOCC f7998fadf846fedbd5ab2dc46b18e31f [0,2,0,0,0,0|1,0,0]=3 8214 B11R0.161 C#CC(CCC)OCCSCC 8955c3ec98b912fa339e78a928c37087 [0,2,0,0,0,0|1,0,0]=3 8215 B11R0.161 C#CCC(CC)OCCCCC efcf47d63440aa8633ef57242cc19c06 [0,2,0,0,0,0|0,0,2]=4 8216 B11R0.161 C#CCCCOC(C#C)CCC 0e67b3f7ed807a411436ca1447f3af5e [0,2,0,0,0,0|0,0,2]=4 8217 B11R0.161 C#CCCCOC(C#N)CCC 1edbd6016d61107f9d4849d7a7b0e785 [0,2,0,0,0,0|0,0,2]=4 8218 B11R0.161 C#CCCCOC(C=C)CCC 05d471bd0386f1f1547fcc2726befa19 [0,2,0,0,0,0|0,0,2]=4 8219 B11R0.161 C#CCCCOC(CC)CCC 6e17c66607d147702ef67b8759bca5ad [0,2,0,0,0,0|0,0,2]=4 8220 B11R0.161 C#CCCCO[C@H](CC)CCC f09c7c39a868ba841b0e628ab4b6a8db [0,2,0,0,0,0|0,0,2]=4 8221 B11R0.161 C#CCCOCC(CC)CCC 131952b7b8982e888f54fa367048dc0a [0,2,0,0,0,0|0,0,2]=4 8222 B11R0.161 C/C=C/CCOC(CC)CCC 5d7b7ab8db759c7c22e44fe7bb260424 [0,2,0,0,0,0|0,0,2]=4 8223 B11R0.161 C/C=C/COCC(CC)CCC 57441113106c46e47e4130e5cd03b640 [0,2,0,0,0,0|0,0,2]=4 8224 B11R0.161 C/C=C\COCC(CC)CCC a52f4a7e83c9ebacc2eab18a6ac652cc [0,2,0,0,0,0|0,0,2]=4 8225 B11R0.161 C=CC(CC#N)OCCCCC 48caa9fdfd2c90e4f94ba3290633ff01 [0,2,0,0,0,0|1,0,1]=4 8226 B11R0.161 C=CC(CCC)OC/C=C/CC 85211e77f58049f701662ccefee7f253 [0,2,0,0,0,0|0,0,2]=4 8227 B11R0.161 C=CC(CCC)OCC#CCC a5df25a6dad0c57a5df4b5752915bbd7 [0,2,0,0,0,0|0,0,2]=4 8228 B11R0.161 C=CC(CCC)OCCCC#N c0f1c7c2da1bf7a6bccf0eec88d93998 [0,2,0,0,0,0|1,0,1]=4 8229 B11R0.161 C=CC(CCC)OCCCC=O 7f9c763cec65e0dcce05d8c2b891a6f3 [0,2,0,0,0,0|1,0,1]=4 8230 B11R0.161 C=CC(CCC)OCCCCC 21da9d389ae3af4833ffe07d46baf097 [0,2,0,0,0,0|0,0,0]=2 8231 B11R0.161 C=CC(CCC)OCCCCF 8180cdd461a1acf8fc9fb11188d755a7 [0,2,0,0,0,0|1,0,0]=3 8232 B11R0.161 C=CC(CCC)OCCCOC 2aa568f987a2495861b2318e0179778f [0,2,0,0,0,0|1,0,0]=3 8233 B11R0.161 C=CC(CCC)OCCCSC f36a00e767223a4cf05e5a919c57d241 [0,2,0,0,0,0|1,0,0]=3 8234 B11R0.161 C=CC(CCC)OCCOCC be5f361eb2e46da4a451c0c4d0bb75d5 [0,2,0,0,0,0|1,0,0]=3 8235 B11R0.161 C=CC(CCC)OCCSCC cd927dd1b81b6020d7c54a260c8dec10 [0,2,0,0,0,0|1,0,0]=3 8236 B11R0.161 C=CC(CCCCCC)OCC b51af73827799cb8bf5f1f0c718c746b [0,2,0,0,0,0|2,0,0]=4 8237 B11R0.161 C=CCC(C=C)OCCCCC 11a7331285aab9c355cd05e3e93ca6ac [0,2,0,0,0,0|0,0,2]=4 8238 B11R0.161 C=CCCCOC(C#N)CCC 7365a6a50fe04bbd54c3887dfad26924 [0,2,0,0,0,0|0,0,2]=4 8239 B11R0.161 C=CCCCOC(C=C)CCC e1febec4770272476f87bd487fcf3a6e [0,2,0,0,0,0|0,0,2]=4 8240 B11R0.161 C=CCCCOC(CC)CCC 375abc00dbebfd314a85ca6b7583fecb [0,2,0,0,0,0|0,0,2]=4 8241 B11R0.161 C=CCCCO[C@H](CC)CCC e8bc7acbaa046a8848767e1d6e0885fa [0,2,0,0,0,0|0,0,2]=4 8242 B11R0.161 C=CCCOCC(CC)CCC d7d0092e8f1372a124c0b74ba1f125f5 [0,2,0,0,0,0|0,0,2]=4 8243 B11R0.161 CC#CCCOC(CC)CCC 4effb024202862e488abb0ff9a6e8979 [0,2,0,0,0,0|0,0,2]=4 8244 B11R0.161 CC/C=C/COC(C#N)CCC 53d0da6c004062003ab3592fb8c56439 [0,2,0,0,0,0|0,0,2]=4 8245 B11R0.161 CC/C=C/COC(CC)CCC 1bbdcc5fca8108eeeb638fb3d78cc0fa [0,2,0,0,0,0|0,0,2]=4 8246 B11R0.161 CC/C=C/CO[C@H](CC)CCC 6235691545508d1d150e6161368964ce [0,2,0,0,0,0|0,0,2]=4 8247 B11R0.161 CC/C=C\COC(CC)CCC 67a1a11af686676ea6e0175915509b27 [0,2,0,0,0,0|0,0,2]=4 8248 B11R0.161 CCC#CCOC(C#N)CCC c12f645144c69ade7ff92d2d31ff4021 [0,2,0,0,0,0|0,0,2]=4 8249 B11R0.161 CCC#CCOC(CC)CCC d1da5110742a89770a84a3247f9b3ea9 [0,2,0,0,0,0|0,0,2]=4 8250 B11R0.161 CCC#CCO[C@H](CC)CCC 6c505502d169f65f2a9184b9cea866f2 [0,2,0,0,0,0|0,0,2]=4 8251 B11R0.161 CCC(COC)OCCCCF d0f5e600c19cd1235030acb4b756c851 [0,2,0,0,0,0|2,0,0]=4 8252 B11R0.161 CCC(COC)OCCCOC 94861cb494c02812dc63c383324744fc [0,2,0,0,0,0|2,0,0]=4 8253 B11R0.161 CCC(COC)OCCCSC f1db670264b2b00cece05e186edbe7a8 [0,2,0,0,0,0|2,0,0]=4 8254 B11R0.161 CCC(CSC)OCCCCF 544710b42b9ef57addf70100065dbf80 [0,2,0,0,0,0|2,0,0]=4 8255 B11R0.161 CCC(CSC)OCCCOC 53bf5cd0e8c621db4d1950858ed7adcf [0,2,0,0,0,0|2,0,0]=4 8256 B11R0.161 CCC(CSC)OCCCSC 90020324a10e825a7b1244c4965b1026 [0,2,0,0,0,0|2,0,0]=4 8257 B11R0.161 CCCC(C#N)OCCCC#N ee1ec964c9abcfc8b67cda15a56c355f [0,2,0,0,0,0|1,0,1]=4 8258 B11R0.161 CCCC(C#N)OCCCC=O 2c9f92eecbf66c139054c9826cc85dbe [0,2,0,0,0,0|1,0,1]=4 8259 B11R0.161 CCCC(C#N)OCCCCF 99009871483c4419982f18ff5aa574f9 [0,2,0,0,0,0|1,0,0]=3 8260 B11R0.161 CCCC(C#N)OCCCOC 417d0b3874c12106bd33e865fe46eb83 [0,2,0,0,0,0|1,0,0]=3 8261 B11R0.161 CCCC(C#N)OCCCSC c38ba23ef6ea31552c87d3f523fb559a [0,2,0,0,0,0|1,0,0]=3 8262 B11R0.161 CCCC(C#N)OCCOCC 9a7c42c29d27cef28817fb36976d8b5c [0,2,0,0,0,0|1,0,0]=3 8263 B11R0.161 CCCC(C#N)OCCSCC f923ad14a1c6790361444e1bec86f278 [0,2,0,0,0,0|1,0,0]=3 8264 B11R0.161 CCCC(CC)COCCC#N 261927b9ccd4cfe6695e80d0ade23dd8 [0,2,0,0,0,0|1,0,1]=4 8265 B11R0.161 CCCC(CC)COCCC=O 762c56307f1c92b5c02b287249e5ab65 [0,2,0,0,0,0|1,0,1]=4 8266 B11R0.161 CCCC(CC)COCCCF abae88459211d0bdfd1567477aa628a6 [0,2,0,0,0,0|1,0,0]=3 8267 B11R0.161 CCCC(CC)COCCCS 861de34e0d59d1ffb1dd60931541f0cb [0,2,0,0,0,0|1,0,0]=3 8268 B11R0.161 CCCC(CC)COCCOC bcec67687f835571f17b119c8ce89fbd [0,2,0,0,0,0|1,0,0]=3 8269 B11R0.161 CCCC(CC)COCCSC 5452e6ac6156c57205ac3981ed8013af [0,2,0,0,0,0|1,0,0]=3 8270 B11R0.161 CCCC(CC)COCOCC 849c61095d4dc356aa75ae48bef4bf53 [0,2,0,0,0,0|1,0,0]=3 8271 B11R0.161 CCCC(CC)NCCCCCl c056424781ebfb590cef881df56022c8 [0,2,0,0,0,0|2,0,0]=4 8272 B11R0.161 CCCC(CC)NCCCCO 16a1d0a71c8666c7f347d981cf24395f [0,2,0,0,0,0|2,0,0]=4 8273 B11R0.161 CCCC(CC)NCCCCS 2fc6f92a87f624f7980caecc47e1e328 [0,2,0,0,0,0|2,0,0]=4 8274 B11R0.161 CCCC(CC)NCCCOC 4dd3ec54aab1ece5a555dc4ff4f127e5 [0,2,0,0,0,0|2,0,0]=4 8275 B11R0.161 CCCC(CC)NCCCSC 1e9c2f0c1e66d9cf172f28eebff76c2e [0,2,0,0,0,0|2,0,0]=4 8276 B11R0.161 CCCC(CC)NCCOCC 8b3719ccf2e94caff5117e100f54cbcd [0,2,0,0,0,0|2,0,0]=4 8277 B11R0.161 CCCC(CC)NCCSCC ce309665672694d80eb3df66f25df3ff [0,2,0,0,0,0|2,0,0]=4 8278 B11R0.161 CCCC(CC)OCCCC#N 5e1f3f9b6444fa6a7a075768c56795e2 [0,2,0,0,0,0|1,0,1]=4 8279 B11R0.161 CCCC(CC)OCCCC=O 2d3cb8a8b2be0cdb49e541ef0e3f721f [0,2,0,0,0,0|1,0,1]=4 8280 B11R0.161 CCCC(CC)OCCCCF 65f08a8fe7398309ad13a78c3ddcef76 [0,2,0,0,0,0|1,0,0]=3 8281 B11R0.161 CCCC(CC)OCCCCS d5cb4eacc01c7ec11898e27748bf2394 [0,2,0,0,0,0|1,0,0]=3 8282 B11R0.161 CCCC(CC)OCCCOC 582543ac2dcfefe9f457fedb48272238 [0,2,0,0,0,0|1,0,0]=3 8283 B11R0.161 CCCC(CC)OCCCSC 9d12bbefd5978e07a73d264ed26b1c6a [0,2,0,0,0,0|1,0,0]=3 8284 B11R0.161 CCCC(CC)OCCOCC bbe1375407a5e46799599b59d9d0f2dc [0,2,0,0,0,0|1,0,0]=3 8285 B11R0.161 CCCC(CC)OCCSCC 56942db0640d6b25fdb0c4b656a7cf13 [0,2,0,0,0,0|1,0,0]=3 8286 B11R0.161 CCCC(CO)NCCCCF 82201c83e44f7f28ad42309e5f5790d1 [0,2,0,0,0,0|2,0,0]=4 8287 B11R0.161 CCCC(CO)NCCCCO 53ad30ad2dd9f7c25ece41b513ce57c2 [0,2,0,0,0,0|2,0,0]=4 8288 B11R0.161 CCCC(CO)NCCCOC 6aa3351973a50b54363a351be569eb36 [0,2,0,0,0,0|2,0,0]=4 8289 B11R0.161 CCCC(CO)NCCCSC cea3f47975450615f1f1bbe8837aea6a [0,2,0,0,0,0|2,0,0]=4 8290 B11R0.161 CCCC(CO)NCCOCC c516398031a8c40b5b1c12dead44283f [0,2,0,0,0,0|2,0,0]=4 8291 B11R0.161 CCCC(CO)NCCSCC 33ec8b4651a5e61679af9b21544ccfc6 [0,2,0,0,0,0|2,0,0]=4 8292 B11R0.161 CCCCCCC(CC)OCC 05009cdde9ed0fcc9404fc1e9d78947c [0,2,0,0,0,0|2,0,0]=4 8293 B11R0.161 CCCCCCN(CC)CCC 7059fabf20117bf2c3c270574369e53e [0,2,0,0,0,0|2,0,0]=4 8294 B11R0.161 CCCCCNC(CC)CCC ef9e17275166f0b1f75cc3b4211d1757 [0,2,0,0,0,0|1,0,0]=3 8295 B11R0.161 CCCCCNC(CC)COC fcf7e02b6b7e2b29ae703ae0c42fad29 [0,2,0,0,0,0|2,0,0]=4 8296 B11R0.161 CCCCCNC(CO)CCC 57432c2124bfee92d8c177f102e4726a [0,2,0,0,0,0|1,0,0]=3 8297 B11R0.161 CCCCCNC(CO)CCO 544d0f00643971d4e098e13851696589 [0,2,0,0,0,0|2,0,0]=4 8298 B11R0.161 CCCCCNC(CO)COC 54ed0246114c8fd3b23074a451018e67 [0,2,0,0,0,0|2,0,0]=4 8299 B11R0.161 CCCCCNC(CO)CSC fd19cd670ba36882b78028b3aa8f49e3 [0,2,0,0,0,0|2,0,0]=4 8300 B11R0.161 CCCCCN[C@@H](CO)CCC bf3cb51069dcc064385c63039207f6f4 [0,2,0,0,0,0|1,0,0]=3 8301 B11R0.161 CCCCCN[C@@H](CO)CCO b531e47ac85431e49c12ddcc6eb7df9c [0,2,0,0,0,0|2,0,0]=4 8302 B11R0.161 CCCCCN[C@H](CO)CCC d2d89e1b2e7722db6ae831c552dabe2f [0,2,0,0,0,0|1,0,0]=3 8303 B11R0.161 CCCCCOC(C#N)CCC ee8f86062f0538ad0b3eaeccd25832bd [0,2,0,0,0,0|0,0,0]=2 8304 B11R0.161 CCCCCOC(CBr)CCBr 3769428292d8019e24065ecf44af1b80 [0,2,0,0,0,0|1,0,0]=3 8305 B11R0.161 CCCCCOC(CC)CC#N 0fdcbc60430c755ba7c83a1c948b4c88 [0,2,0,0,0,0|1,0,1]=4 8306 B11R0.161 CCCCCOC(CC)CCC f2da7427ed2a47ce91f00b2db766932d [0,2,0,0,0,0|0,0,0]=2 8307 B11R0.161 CCCCCOC(CC)COC 4e837d5b6d616ab4b03c4c139ff2e9f6 [0,2,0,0,0,0|1,0,0]=3 8308 B11R0.161 CCCCCOC(CC)CSC 81e704e70f14451b1bcc6b327a27dfa5 [0,2,0,0,0,0|1,0,0]=3 8309 B11R0.161 CCCCCOC(CCl)CCCl 5acbea1bc9e14e03153d29d3b7f558c7 [0,2,0,0,0,0|1,0,0]=3 8310 B11R0.161 CCCCCO[C@@H](CO)CCO bead00f5a39088ecc16585c51a08d567 [0,2,0,0,0,0|1,0,0]=3 8311 B11R0.161 CCCCCO[C@H](CC)CC#N 581e0f1bc3378894a6ca6a592058be28 [0,2,0,0,0,0|1,0,1]=4 8312 B11R0.161 CCCCCO[C@H](CC)CCC 57aa42fe795141b0c2fc44debe0cecbe [0,2,0,0,0,0|0,0,0]=2 8313 B11R0.161 CCCCNCC(CC)OCC f9fddaa334327c3d0e119d2749ac448f [0,2,0,0,0,0|2,0,0]=4 8314 B11R0.161 CCCCOCC(CC)CCC c175c24d9429a2e33e5a83c6d389ac2f [0,2,0,0,0,0|0,0,0]=2 8315 B11R0.161 CCCCOCC(CC)OCC 8faf6bbe12b48abf633fc579d88b6710 [0,2,0,0,0,0|1,0,0]=3 8316 B11R0.161 CCCCOCN(CC)CCC 494aece40ab2536d61c73f682d0855a5 [0,2,0,0,0,0|1,0,0]=3 8317 B11R0.161 CCCCOCN(CC)CCCl e36739964bdc19234a2a6bfb63a7f8fe [0,2,0,0,0,0|2,0,0]=4 8318 B11R0.161 CCCCOCN(CC)CCO 8e5cdc9d35e3b9fc4298277adadcb424 [0,2,0,0,0,0|2,0,0]=4 8319 B11R0.161 CCCCOCN(CO)CCO 4259df429deab001f0d07da4f7f478ce [0,2,0,0,0,0|2,0,0]=4 8320 B11R0.161 CCCN(CC)COCCOC 22e3b13578cde025240f9f39ec715f4d [0,2,0,0,0,0|2,0,0]=4 8321 B11R0.161 CCCOCCC(CCC)SC 09101e8b1c39bd0b9638b98972ce569e [0,2,0,0,0,0|2,0,0]=4 8322 B11R0.161 CCC[C@@H](CC)OCCCC#N d55fe48d83096eca6e9c4bbb98d5d837 [0,2,0,0,0,0|1,0,1]=4 8323 B11R0.161 CCC[C@@H](CC)OCCCC=O 7dd829abc6a313471f72ef1ee834f4fd [0,2,0,0,0,0|1,0,1]=4 8324 B11R0.161 CCC[C@@H](CC)OCCCCF b2e8087b688085be5e8baa0fbaa4171f [0,2,0,0,0,0|1,0,0]=3 8325 B11R0.161 CCC[C@@H](CC)OCCCOC 45783dfeb183bcfb7464076abab826ca [0,2,0,0,0,0|1,0,0]=3 8326 B11R0.161 CCC[C@@H](CC)OCCCSC 11fd4a1fe1155220c6425dde2d8ec910 [0,2,0,0,0,0|1,0,0]=3 8327 B11R0.161 CCC[C@@H](CC)OCCOCC f1747dfba292810829f40478704045c4 [0,2,0,0,0,0|1,0,0]=3 8328 B11R0.161 CCC[C@@H](CC)OCCSCC 70c90254b7ff16211cbf6be0352be38f [0,2,0,0,0,0|1,0,0]=3 8329 B11R0.161 CCC[C@@H](CO)NCCCCF dd24435558c1a2c3ff13af3e9db2a5fa [0,2,0,0,0,0|2,0,0]=4 8330 B11R0.161 CCC[C@@H](CO)NCCCCO 0267b6e7333bdd5a62fc978d9399c896 [0,2,0,0,0,0|2,0,0]=4 8331 B11R0.161 CCC[C@@H](CO)NCCCOC a0993eacac6125bd0129990727941e02 [0,2,0,0,0,0|2,0,0]=4 8332 B11R0.161 CCC[C@@H](CO)NCCCSC a764114271070cecece2ed730cde5c37 [0,2,0,0,0,0|2,0,0]=4 8333 B11R0.161 CCC[C@@H](CO)NCCOCC d1e3c2e1fe7aba5896bbfab4342a771d [0,2,0,0,0,0|2,0,0]=4 8334 B11R0.161 CCC[C@@H](CO)NCCSCC a3f4335877368bc8605578278c333753 [0,2,0,0,0,0|2,0,0]=4 8335 B11R0.161 CCC[C@H](CO)NCCCCF 330a87bdbb0bf91001a3eb2b4b3d1d47 [0,2,0,0,0,0|2,0,0]=4 8336 B11R0.161 CCC[C@H](CO)NCCCCO 663369ddf039dd6440bec4f433dfe94a [0,2,0,0,0,0|2,0,0]=4 8337 B11R0.161 CCC[C@H](CO)NCCCOC b9b324e0592297bacb7619187fed07f3 [0,2,0,0,0,0|2,0,0]=4 8338 B11R0.161 CCC[C@H](CO)NCCCSC db8762661f2c90d57860116cc97c085d [0,2,0,0,0,0|2,0,0]=4 8339 B11R0.161 CCC[C@H](CO)NCCOCC acdbf305a554ded0a8d7275253f028f9 [0,2,0,0,0,0|2,0,0]=4 8340 B11R0.161 CCC[C@H](CO)NCCSCC 08465f6fadc43ce55f7c1c7b6d2c2f52 [0,2,0,0,0,0|2,0,0]=4 8341 B11R0.161 CCOC(CC)COCCCF 98316cfc187c113376284af9dac43008 [0,2,0,0,0,0|2,0,0]=4 8342 B11R0.161 CCOC(CC)COCCCS 7940a31a7ce5cfdf8fd2a0b54d851ca5 [0,2,0,0,0,0|2,0,0]=4 8343 B11R0.161 CCOC(CC)COCCOC 472821b291101bc20627e5fae7bae9b1 [0,2,0,0,0,0|2,0,0]=4 8344 B11R0.161 CCOC(CC)COCCSC 19ea7a4f8a48c38e3a6b4998091f6236 [0,2,0,0,0,0|2,0,0]=4 8345 B11R0.161 CCOCCOC(CBr)CCBr 6a25bed96824dad3070683050019d8aa [0,2,0,0,0,0|2,0,0]=4 8346 B11R0.161 CCOCCOC(CC)COC 9afbf84533eff7c368ba768dbe995d22 [0,2,0,0,0,0|2,0,0]=4 8347 B11R0.161 CCOCCOC(CC)CSC 9f9758bf225c1efb97a74f48b148dd72 [0,2,0,0,0,0|2,0,0]=4 8348 B11R0.161 CCOCCOC(CCl)CCCl 1c95cc47268b85d5c3e9bb4fabc5f285 [0,2,0,0,0,0|2,0,0]=4 8349 B11R0.161 CCOCCO[C@@H](CO)CCO 4f25eee8e876f6bc4606a85fbb6802a0 [0,2,0,0,0,0|2,0,0]=4 8350 B11R0.161 CCSCCOC(CBr)CCBr 1bddf5fefc8e168dee5108444e845218 [0,2,0,0,0,0|2,0,0]=4 8351 B11R0.161 CCSCCOC(CC)COC 59a8645eb763902ce66ccc5ac6b86ab3 [0,2,0,0,0,0|2,0,0]=4 8352 B11R0.161 CCSCCOC(CC)CSC 03591ea412b9b10e1ecf7c298bda3225 [0,2,0,0,0,0|2,0,0]=4 8353 B11R0.161 CCSCCOC(CCl)CCCl 94eca24eaeea4214b72737d1950a948d [0,2,0,0,0,0|2,0,0]=4 8354 B11R0.161 CCSCCO[C@@H](CO)CCO 8df97b4450b587cee7c100f137e7bcd1 [0,2,0,0,0,0|2,0,0]=4 8355 B11R0.161 COCCCOC(CBr)CCBr 40b6281e6ab6ea8ecba3bace610ac47e [0,2,0,0,0,0|2,0,0]=4 8356 B11R0.161 COCCCOC(CCl)CCCl be64af15e4f7f4e1484576e77d70b009 [0,2,0,0,0,0|2,0,0]=4 8357 B11R0.161 COCCCO[C@@H](CO)CCO b9ecb6724ef6d40e8cfce2356fb53061 [0,2,0,0,0,0|2,0,0]=4 8358 B11R0.161 CSCCCOC(CBr)CCBr ac100277abc915fc13afec1f43d78046 [0,2,0,0,0,0|2,0,0]=4 8359 B11R0.161 CSCCCOC(CCl)CCCl 5f9e608fe3216a93e1d2b797454692b7 [0,2,0,0,0,0|2,0,0]=4 8360 B11R0.161 CSCCCO[C@@H](CO)CCO e1aa2e6293893682894c149ade1a412c [0,2,0,0,0,0|2,0,0]=4 8361 B11R0.161 FCCCCOC(CBr)CCBr a84fb6bb000880a0f87d9a4245866c7c [0,2,0,0,0,0|2,0,0]=4 8362 B11R0.161 FCCCCOC(CCl)CCCl a7ea2f62efc6d2dc5c8f866bbcd47c62 [0,2,0,0,0,0|2,0,0]=4 8363 B11R0.161 OCC[C@H](CO)OCCCCF 382b68071115ba572f1085c9eb1452d0 [0,2,0,0,0,0|2,0,0]=4 8364 B11R0.161 OCC[C@H](CO)OCCCCS b78ac2ef0522d4e45e1d9b9deee2939b [0,2,0,0,0,0|2,0,0]=4 8365 B11R0.174 C#CCC(C)OCCC(C)CC 60fda89dc7cb777df3258800c1e9f8fa [0,2,0,0,0,0|0,0,2]=4 8366 B11R0.174 C/C=C/C(C)OCCC(C)CC 73d4d460c76c493c3baae26900fff923 [0,2,0,0,0,0|0,0,2]=4 8367 B11R0.174 C=C(CC)CNCC(O)CCC 5813519c4e54acbfa5cd97ad52511883 [0,2,0,0,0,0|1,0,1]=4 8368 B11R0.174 C=C(CC)COCC(C)CCC 33055ac89ddd175f3e9da8f785b72831 [0,2,0,0,0,0|0,0,1]=3 8369 B11R0.174 C=C(CC)COCC(C)OCC 42af0b6cee6d78107697ac2ce8879b11 [0,2,0,0,0,0|1,0,1]=4 8370 B11R0.174 C=C(COCC(C)CCC)OC e837bce360e94c7f479e4e319ad18888 [0,2,0,0,0,0|1,0,1]=4 8371 B11R0.174 C=CC(C)COCC(C)CCC 4e01ea63ba727bd4897b9094a30aaaa4 [0,2,0,0,0,0|0,0,2]=4 8372 B11R0.174 C=CCC(C)COCC(C)CC 566d9d70574ec43c7b23eb62a260c092 [0,2,0,0,0,0|0,0,2]=4 8373 B11R0.174 C=CCC(C)COC[C@@H](C)CC fa61895b085cfa7dbadc25003657f0e2 [0,2,0,0,0,0|0,0,2]=4 8374 B11R0.174 C=CCC(C)COC[C@H](C)CC 13e66e40c66e5d16f7c1b8bbcf7fb976 [0,2,0,0,0,0|0,0,2]=4 8375 B11R0.174 C=CCC(C)OCCC(C)CC a3022a6b02892528975a5a91fe01a4cd [0,2,0,0,0,0|0,0,2]=4 8376 B11R0.174 C=CC[C@@H](C)OCCC(C)CC 3f23ad3cab1b51d85610b4a9f7d1ea7a [0,2,0,0,0,0|0,0,2]=4 8377 B11R0.174 C=CC[C@H](C)OCCC(C)CC e7bad42f57913047e332bdc42d8a7dc9 [0,2,0,0,0,0|0,0,2]=4 8378 B11R0.174 CC#CC(C)OCCC(C)CC 011ebb931f5cdf02405ad95a384132eb [0,2,0,0,0,0|0,0,2]=4 8379 B11R0.174 CC=CC(C)OCCC(C)CC dfc5d65f34294c2814a433bd2ccca4c3 [0,2,0,0,0,0|0,0,2]=4 8380 B11R0.174 CCC(=O)COCC(C)COC 75ada01b49196c9066e7e1d2b623c602 [0,2,0,0,0,0|1,0,1]=4 8381 B11R0.174 CCC(=O)COC[C@@H](C)COC 55fad7c10caf26f11e4091770f4512d7 [0,2,0,0,0,0|1,0,1]=4 8382 B11R0.174 CCC(=O)COC[C@@H](O)CCO b221f20533f1392fdbd9199d31a60330 [0,2,0,0,0,0|1,0,1]=4 8383 B11R0.174 CCC(C)CCNC(C)CCO 2adefde0c268841f3a24e60f83cd5819 [0,2,0,0,0,0|2,0,0]=4 8384 B11R0.174 CCC(C)CCNC(C)COC ba6d27621c1b2faf8cbc7282777b4517 [0,2,0,0,0,0|2,0,0]=4 8385 B11R0.174 CCC(C)CCN[C@@H](C)CCO a7239f41a193a5136727303504909c24 [0,2,0,0,0,0|2,0,0]=4 8386 B11R0.174 CCC(C)CCN[C@@H](C)COC 571f19f540bd10a844879d6bffa2499d [0,2,0,0,0,0|2,0,0]=4 8387 B11R0.174 CCC(C)CCN[C@H](C)CCO 379da54d9978491535cd9085839b9bc5 [0,2,0,0,0,0|2,0,0]=4 8388 B11R0.174 CCC(C)CCN[C@H](C)COC 933c2a3205938027d86068e9b5a97894 [0,2,0,0,0,0|2,0,0]=4 8389 B11R0.174 CCC(C)CCOC(C)CC#N 872568fe633872b2e585873f667345c7 [0,2,0,0,0,0|1,0,1]=4 8390 B11R0.174 CCC(C)CCOC(C)COC 2c39bacf3fb61c31416bfc519a4209b6 [0,2,0,0,0,0|1,0,0]=3 8391 B11R0.174 CCC(C)CCOC(C)CSC 5de92164c8eb7f5d17a7b1ed00005cba [0,2,0,0,0,0|1,0,0]=3 8392 B11R0.174 CCC(C)CCO[C@@H](C)CC#N ab1be853ac272535e2bbd2ffcfc6369b [0,2,0,0,0,0|1,0,1]=4 8393 B11R0.174 CCC(C)CCO[C@@H](C)COC 5b38d9ba5e0888a6b0532e8017b04951 [0,2,0,0,0,0|1,0,0]=3 8394 B11R0.174 CCC(C)CCO[C@H](C)CC#N 38c57c967d51414d078d2f237dae0397 [0,2,0,0,0,0|1,0,1]=4 8395 B11R0.174 CCC(C)CCO[C@H](C)COC 726603cf6c3c2921a8c1cd4ada9dac72 [0,2,0,0,0,0|1,0,0]=3 8396 B11R0.174 CCC(C)CNCC(C)CCO f99110eb31d068df4c4bf2108c1cfafe [0,2,0,0,0,0|2,0,0]=4 8397 B11R0.174 CCC(C)CNCC(O)COC 471da8bb0685edec8e251f84bab51aca [0,2,0,0,0,0|2,0,0]=4 8398 B11R0.174 CCC(C)CNC[C@@H](O)CCO 00ba616b9142602b5a644051811833e0 [0,2,0,0,0,0|2,0,0]=4 8399 B11R0.174 CCC(C)CNC[C@H](O)COC b356ffd43c92d072902f5c0cb0cfe4ca [0,2,0,0,0,0|2,0,0]=4 8400 B11R0.174 CCC(C)COCC(=O)COC fb22baab399b50b1cd26dbe4c849a82b [0,2,0,0,0,0|1,0,1]=4 8401 B11R0.174 CCC(C)COCC(C)COC 5d5225270e843bd822ba01f1fd6356a8 [0,2,0,0,0,0|1,0,0]=3 8402 B11R0.174 CCC(C)COC[C@@H](C)COC 511dd38ab4944b27b8c2786c724cdfbc [0,2,0,0,0,0|1,0,0]=3 8403 B11R0.174 CCC(C)COC[C@@H](O)CCO f1ce6d9c67abf46d4642471c82598f72 [0,2,0,0,0,0|1,0,0]=3 8404 B11R0.174 CCC(O)CNCC(C)CCO 393a0e7180a45bd6903fb2813e0db28f [0,2,0,0,0,0|2,0,0]=4 8405 B11R0.174 CCC(O)CNCC(O)COC 74142ffbdf53827841e92fe8e8d5a7ac [0,2,0,0,0,0|2,0,0]=4 8406 B11R0.174 CCC(O)CNC[C@@H](O)CCO 96ae31d6146bfd901930ad625b39054c [0,2,0,0,0,0|2,0,0]=4 8407 B11R0.174 CCC(O)CNC[C@H](O)COC d4d5d279c61c21f5c74f198ce38a20d9 [0,2,0,0,0,0|2,0,0]=4 8408 B11R0.174 CCC(S)CCOC(C)CC#N fce95b04c79f3e563d5d0bd0014f2c1c [0,2,0,0,0,0|1,0,1]=4 8409 B11R0.174 CCC(S)CCOC(C)COC f4d2fe6d5b8ecfbd191e4d14f3fcc4cd [0,2,0,0,0,0|1,0,0]=3 8410 B11R0.174 CCCC(=O)CNCC(C)CC c8647cfe415dd381af3811782873197c [0,2,0,0,0,0|1,0,1]=4 8411 B11R0.174 CCCC(=O)CNCC(O)CC 4ff9b1bcf0643d45034fea2f1ac5a8eb [0,2,0,0,0,0|1,0,1]=4 8412 B11R0.174 CCCC(=O)CNC[C@@H](C)CC 38e8ff0ca0ff2148b106d2a9a7604485 [0,2,0,0,0,0|1,0,1]=4 8413 B11R0.174 CCCC(=O)CNC[C@H](O)CC 345b99b27a4bf75b4e3a8995dc5eb90f [0,2,0,0,0,0|1,0,1]=4 8414 B11R0.174 CCCC(=O)COCC(=O)CC 91dc256878eb6cf16348b6d554bcdbd9 [0,2,0,0,0,0|0,0,2]=4 8415 B11R0.174 CCCC(=O)COCC(Br)CBr c6dc7569c26ebaf40f77e8611cccf343 [0,2,0,0,0,0|1,0,1]=4 8416 B11R0.174 CCCC(=O)COCC(C)CC acb7474c15c4a60204d2154914eda3de [0,2,0,0,0,0|0,0,1]=3 8417 B11R0.174 CCCC(=O)COCC(C)OC a74d14b17ff3e22d206c686423cd240f [0,2,0,0,0,0|1,0,1]=4 8418 B11R0.174 CCCC(=O)COCC(Cl)CCl 2347d4cb55ae0365cb6ba3a3c9c9e98f [0,2,0,0,0,0|1,0,1]=4 8419 B11R0.174 CCCC(=O)COCC(S)CS c89a850a2f105e214ddd999fd4fb15b2 [0,2,0,0,0,0|1,0,1]=4 8420 B11R0.174 CCCC(=O)COC[C@@H](C)CC 5984d5295e7bbcdfa155dd5bd305dc0e [0,2,0,0,0,0|0,0,1]=3 8421 B11R0.174 CCCC(=O)COC[C@@H](C)OC 800b629fc8c8fa3196bbe58c3b683cb2 [0,2,0,0,0,0|1,0,1]=4 8422 B11R0.174 CCCC(=O)COC[C@H](C)CC 6edce6e0b94ba6bb9cff5b8a785d8ad8 [0,2,0,0,0,0|0,0,1]=3 8423 B11R0.174 CCCC(=O)COC[C@H](C)OC 54585352bc00b72157b92bd92c9e2dc4 [0,2,0,0,0,0|1,0,1]=4 8424 B11R0.174 CCCC(=O)NCCC(C)CC 79808c5a5da21586a7f0cddccceb82d2 [0,2,0,0,0,0|1,0,1]=4 8425 B11R0.174 CCCC(=S)OCCC(C)CC 2ba61eadda133515d7485573787bb76b [0,2,0,0,0,0|0,0,1]=3 8426 B11R0.174 CCCC(=S)OCCS(=O)CC 2b06843b6c87c654bbe5e4424f1b7bfe [0,2,0,0,0,0|1,0,1]=4 8427 B11R0.174 CCCC(C)CCOC(C)CC a91b01cfbb502c617b509ecc26e8e502 [0,2,0,0,0,0|2,0,0]=4 8428 B11R0.174 CCCC(C)CNCC(Br)CBr 5ca1b1e0ec613c2f099291b7ccc742a9 [0,2,0,0,0,0|2,0,0]=4 8429 B11R0.174 CCCC(C)CNCC(C)CC 6257fdcf96c1d12c21dd7c1bea2eaab1 [0,2,0,0,0,0|1,0,0]=3 8430 B11R0.174 CCCC(C)CNCC(C)CO 8878230bf8affb92b7488e76ff21ae27 [0,2,0,0,0,0|2,0,0]=4 8431 B11R0.174 CCCC(C)CNCC(F)CO 6fa5d60dcd0e0a5164c542041a98c162 [0,2,0,0,0,0|2,0,0]=4 8432 B11R0.174 CCCC(C)CNCC(O)CC 799c23421e8f88fbf536efb9a309fda7 [0,2,0,0,0,0|1,0,0]=3 8433 B11R0.174 CCCC(C)CNCC(O)CO 361bd63de4f60ca85d3b6dc56e33aa82 [0,2,0,0,0,0|2,0,0]=4 8434 B11R0.174 CCCC(C)CNC[C@@H](C)CC 10fbcebb62c0d6cda06fe589d25e698e [0,2,0,0,0,0|1,0,0]=3 8435 B11R0.174 CCCC(C)CNC[C@@H](C)OC c1f1c1b96399198531b455732865838e [0,2,0,0,0,0|2,0,0]=4 8436 B11R0.174 CCCC(C)CNC[C@@H](F)CO 028f4ad3658cdd39d773f14762e1598e [0,2,0,0,0,0|2,0,0]=4 8437 B11R0.174 CCCC(C)CNC[C@@H](O)CO 7da69ca4f0578807866601c775114079 [0,2,0,0,0,0|2,0,0]=4 8438 B11R0.174 CCCC(C)CNC[C@H](C)CO 54ffbe7c47fcf0d025ba42afecf7fec1 [0,2,0,0,0,0|2,0,0]=4 8439 B11R0.174 CCCC(C)CNC[C@H](C)OC dcddb026977bf1b43f47687d97760ac2 [0,2,0,0,0,0|2,0,0]=4 8440 B11R0.174 CCCC(C)CNC[C@H](F)CO 1476c7440a097ecfabd2d0d0fbf4ce96 [0,2,0,0,0,0|2,0,0]=4 8441 B11R0.174 CCCC(C)CNC[C@H](O)CC f269c7d4ddb438a6bbcf01358e2eb0c9 [0,2,0,0,0,0|1,0,0]=3 8442 B11R0.174 CCCC(C)CNC[C@H](O)CO 6a6d8505429eabf5a61cb0fd63015d94 [0,2,0,0,0,0|2,0,0]=4 8443 B11R0.174 CCCC(C)COCC(=O)CC 2f5ba697e16ef33dc53d647af5814161 [0,2,0,0,0,0|0,0,1]=3 8444 B11R0.174 CCCC(C)COCC(=O)NC edd73d349d5bf9f27362b6f2027de1df [0,2,0,0,0,0|1,0,1]=4 8445 B11R0.174 CCCC(C)COCC(=O)OC c8cdc297b47c32fa9cddb65adece86bf [0,2,0,0,0,0|1,0,1]=4 8446 B11R0.174 CCCC(C)COCC(Br)CBr f04964b96dfc447126540eb2e6a07961 [0,2,0,0,0,0|1,0,0]=3 8447 B11R0.174 CCCC(C)COCC(C)C#N 7347f67743a968daf85773a9be77e78f [0,2,0,0,0,0|1,0,1]=4 8448 B11R0.174 CCCC(C)COCC(C)CC b9ecda190fde599bf0c081d92b000d75 [0,2,0,0,0,0|0,0,0]=2 8449 B11R0.174 CCCC(C)COCC(C)OC 8b87a8ee6b7165556b7b849a233bfaa8 [0,2,0,0,0,0|1,0,0]=3 8450 B11R0.174 CCCC(C)COCC(Cl)CCl acc2fa724474b61b6c449e427adc5a0a [0,2,0,0,0,0|1,0,0]=3 8451 B11R0.174 CCCC(C)COCC(O)CO 875b0d2cac13f3855399d2cdae08d019 [0,2,0,0,0,0|1,0,0]=3 8452 B11R0.174 CCCC(C)COCC(S)CS d0eab4a39a16aa2468286c692ed81f8d [0,2,0,0,0,0|1,0,0]=3 8453 B11R0.174 CCCC(C)COC[C@@H](C)CC e3cc5faf879cb771ea2fd3db8aa37d63 [0,2,0,0,0,0|0,0,0]=2 8454 B11R0.174 CCCC(C)COC[C@@H](C)OC d2168bb68b61236e0b3e977083269e54 [0,2,0,0,0,0|1,0,0]=3 8455 B11R0.174 CCCC(C)COC[C@@H](O)CO 795ebc18cd56e0a34ed74a2efb4c4bfb [0,2,0,0,0,0|1,0,0]=3 8456 B11R0.174 CCCC(C)COC[C@H](C)CC 608647595dc3dee20955ceaedcb18430 [0,2,0,0,0,0|0,0,0]=2 8457 B11R0.174 CCCC(C)COC[C@H](C)OC b2b04ab13a1a8de8bbd046a7b5d3277f [0,2,0,0,0,0|1,0,0]=3 8458 B11R0.174 CCCC(C)COC[C@H](O)CO fd2b771f5eceecc8ec4c2f88a42fe05a [0,2,0,0,0,0|1,0,0]=3 8459 B11R0.174 CCCC(C)NCCC(C)CC 4d85f1813cf1028fd98b76d8c21eed24 [0,2,0,0,0,0|1,0,0]=3 8460 B11R0.174 CCCC(C)NCCC(C)CO a2adf0ecea1308a9d5cd381246dc743a [0,2,0,0,0,0|2,0,0]=4 8461 B11R0.174 CCCC(C)NCCC(O)CO fad9c96a45fe330183d6b67abb60d3a9 [0,2,0,0,0,0|2,0,0]=4 8462 B11R0.174 CCCC(C)NCCS(=O)CC 82cb0dced208769f77f02d2857c80c1b [0,2,0,0,0,0|2,0,0]=4 8463 B11R0.174 CCCC(C)NCC[C@@H](C)CO c1b0bcf1b2ea0694f54b21a80cb64c2f [0,2,0,0,0,0|2,0,0]=4 8464 B11R0.174 CCCC(C)OCCC(=O)NC c9889a5d08f15bb7e53151fbe47a30c1 [0,2,0,0,0,0|1,0,1]=4 8465 B11R0.174 CCCC(C)OCCC(=O)OC 037e1108d805876d37178c6543ab693c [0,2,0,0,0,0|1,0,1]=4 8466 B11R0.174 CCCC(C)OCCC(C)CC cb1e2f71cd4d4a326ccf8e8235e33fb3 [0,2,0,0,0,0|0,0,0]=2 8467 B11R0.174 CCCC(C)OCCC(C)OC eccb32cab462e84f91b5e66918b4b1be [0,2,0,0,0,0|1,0,0]=3 8468 B11R0.174 CCCC(C)OCCC(S)CC 178b306c97c0346eca6aa6dd3d7fe92d [0,2,0,0,0,0|0,0,0]=2 8469 B11R0.174 CCCC(C)OCCS(=O)CC 6cb1da3f88ad4f6f3b5cca4dfada45c9 [0,2,0,0,0,0|1,0,0]=3 8470 B11R0.174 CCCC(C)OCC[C@@H](C)CC dd5856b698906328b17c13f69dcf3c76 [0,2,0,0,0,0|0,0,0]=2 8471 B11R0.174 CCCC(O)CNCC(=O)CC 1803f22c854025bbe4bd14bf9bf2eaa4 [0,2,0,0,0,0|1,0,1]=4 8472 B11R0.174 CCCC(O)CNCC(C)CC a20e9d989b3cb7f22e65efac7ad61d3f [0,2,0,0,0,0|1,0,0]=3 8473 B11R0.174 CCCC(O)CNCC(C)CO e2b222433c1f95a294a49909488cdadd [0,2,0,0,0,0|2,0,0]=4 8474 B11R0.174 CCCC(O)CNCC(C)OC f241ab4a54a1062cc7168c712ae8a1f2 [0,2,0,0,0,0|2,0,0]=4 8475 B11R0.174 CCCC(O)CNCC(O)CC 463d3d581db0f88a69e3f01eb8c5959c [0,2,0,0,0,0|1,0,0]=3 8476 B11R0.174 CCCC(O)CNCC(O)CF 7e9f76d4dd023aa4ff7d73c895894586 [0,2,0,0,0,0|2,0,0]=4 8477 B11R0.174 CCCC(O)CNCC(O)CO 14d3785641cc234b7411362cee8e2588 [0,2,0,0,0,0|2,0,0]=4 8478 B11R0.174 CCCC(O)CNC[C@@H](C)CC 9fa8913ff4fb46042e1c1bd826a6b101 [0,2,0,0,0,0|1,0,0]=3 8479 B11R0.174 CCCC(O)CNC[C@@H](C)CO d9633b1fa09950cf271cb89703d899e2 [0,2,0,0,0,0|2,0,0]=4 8480 B11R0.174 CCCC(O)CNC[C@@H](C)OC fbf3ce3c6875afd18b5c04f7528fe6ac [0,2,0,0,0,0|2,0,0]=4 8481 B11R0.174 CCCC(O)CNC[C@@H](O)CO 1aa0f62208fb844d14c4db6d6077f250 [0,2,0,0,0,0|2,0,0]=4 8482 B11R0.174 CCCC(O)CNC[C@H](C)CC 675d4fabe00a58f908043f18a779bbad [0,2,0,0,0,0|1,0,0]=3 8483 B11R0.174 CCCC(O)CNC[C@H](C)CO 79e86274ff4d60e611ca13d2544fa092 [0,2,0,0,0,0|2,0,0]=4 8484 B11R0.174 CCCC(O)CNC[C@H](C)OC 94bbc70d3304e0cba4e028286489c061 [0,2,0,0,0,0|2,0,0]=4 8485 B11R0.174 CCCC(O)CNC[C@H](O)CO 0949815cf5517a19619e1b741cec2c8f [0,2,0,0,0,0|2,0,0]=4 8486 B11R0.174 CCCC(S)CCOC(C)CC 66eb305bf36f83c5a0e3d7b6ea96097d [0,2,0,0,0,0|2,0,0]=4 8487 B11R0.174 CCC[C@@H](C)OCCC(=O)NC 035e47698d213f6078a4d5c7e9eef88b [0,2,0,0,0,0|1,0,1]=4 8488 B11R0.174 CCC[C@@H](C)OCCC(=O)OC 32237384edc5023d6814a4db0ac158df [0,2,0,0,0,0|1,0,1]=4 8489 B11R0.174 CCC[C@@H](C)OCCC(C)CC a598b663b82007047618842b3046713a [0,2,0,0,0,0|0,0,0]=2 8490 B11R0.174 CCC[C@@H](C)OCCS(=O)CC 8a39d8e5afc896ff46974431cd6b26da [0,2,0,0,0,0|1,0,0]=3 8491 B11R0.174 CCC[C@H](C)NCCC(C)CC f8afaee6d630c08bdc4361a63ea27afc [0,2,0,0,0,0|1,0,0]=3 8492 B11R0.174 CCC[C@H](C)NCCC(C)CO 1ad174d1c79eb8a952bc9b2eaf379357 [0,2,0,0,0,0|2,0,0]=4 8493 B11R0.174 CCC[C@H](C)NCCS(=O)CC 3a22bb838c759aa7d327d5afbefe53ae [0,2,0,0,0,0|2,0,0]=4 8494 B11R0.174 CCC[C@H](C)OCCC(=O)NC 2ac040afa545d7bfd2f66a4781bb911d [0,2,0,0,0,0|1,0,1]=4 8495 B11R0.174 CCC[C@H](C)OCCC(=O)OC 74cc17c2b75c46a3b125dab63bb50b4b [0,2,0,0,0,0|1,0,1]=4 8496 B11R0.174 CCC[C@H](C)OCCC(C)CC d77460a82da907488443403260accfdf [0,2,0,0,0,0|0,0,0]=2 8497 B11R0.174 CCC[C@H](C)OCCS(=O)CC 902555770627b67f480e2c42402ef244 [0,2,0,0,0,0|1,0,0]=3 8498 B11R0.174 CCNC(=O)COCC(C)CC 512bf49566c7cabced69a566f53d89a4 [0,2,0,0,0,0|1,0,1]=4 8499 B11R0.174 CCNC(=O)COC[C@@H](C)CC 94e9b70c40ae836fe98db66244fb4f86 [0,2,0,0,0,0|1,0,1]=4 8500 B11R0.174 CCNC(=O)COC[C@H](C)CC 33b0e3b0457f5293ee5aa9d922c7ab12 [0,2,0,0,0,0|1,0,1]=4 8501 B11R0.174 CCOC(=O)COCC(C)CC e43649abaf6b5eab31e4b498ea273dee [0,2,0,0,0,0|1,0,1]=4 8502 B11R0.174 CCOC(=O)COC[C@@H](C)CC 8cadc7324da518b412e3df9518b671a6 [0,2,0,0,0,0|1,0,1]=4 8503 B11R0.174 CCOC(=O)COC[C@H](C)CC a1fb532e5ed4def108423595527735f7 [0,2,0,0,0,0|1,0,1]=4 8504 B11R0.174 CCOC(C)CNCC(C)CC 2596c3d7d5697014868db93b9f7795b4 [0,2,0,0,0,0|2,0,0]=4 8505 B11R0.174 CCOC(C)CNCC(O)CC 7f3a67cfa7e4cbdfdae06913e666b965 [0,2,0,0,0,0|2,0,0]=4 8506 B11R0.174 CCOC(C)CNC[C@@H](C)CC 9d4b264d236a68e3ae85e0e7069394c0 [0,2,0,0,0,0|2,0,0]=4 8507 B11R0.174 CCOC(C)CNC[C@H](C)CC c1faef60aa03fbbf0d8f413bde448392 [0,2,0,0,0,0|2,0,0]=4 8508 B11R0.174 CCOC(C)COCC(=O)CC 678c298f8e99aeab3786852827e9a4a6 [0,2,0,0,0,0|1,0,1]=4 8509 B11R0.174 CCOC(C)COCC(C)CC a38db83bf5d648a2974085cf213dd9c5 [0,2,0,0,0,0|1,0,0]=3 8510 B11R0.174 CCOC(C)COCC(C)OC a5457a6f35b9d929595889b5a71206bb [0,2,0,0,0,0|2,0,0]=4 8511 B11R0.174 CCOC(C)COCC(O)CO a1bf91bb31dbab51419bc87717e67d82 [0,2,0,0,0,0|2,0,0]=4 8512 B11R0.174 CCOC(C)COC[C@@H](C)CC ccef6698b67c7546f8b026a1b3902781 [0,2,0,0,0,0|1,0,0]=3 8513 B11R0.174 CCOC(C)COC[C@@H](C)OC 6f8a26b35e318931a3b2b31735f7f9c2 [0,2,0,0,0,0|2,0,0]=4 8514 B11R0.174 CCOC(C)COC[C@@H](O)CO 02d3a9df39210ab3a5d6d5ee67beaa0a [0,2,0,0,0,0|2,0,0]=4 8515 B11R0.174 CCOC(C)COC[C@H](C)CC d61c7352b6a9ca07fa3f1834e0c210e6 [0,2,0,0,0,0|1,0,0]=3 8516 B11R0.174 CCOC(C)COC[C@H](C)OC a5e50ac5929f9fdef24692bef7c0a13f [0,2,0,0,0,0|2,0,0]=4 8517 B11R0.174 CCOC(C)COC[C@H](O)CO 2295bb41aa72f5cdc36426c5ee184bfa [0,2,0,0,0,0|2,0,0]=4 8518 B11R0.174 CCS(=O)CCOC(C)COC 846077bd02741cb756854394d4c01c04 [0,2,0,0,0,0|2,0,0]=4 8519 B11R0.174 CCS(=O)CCOC(C)CSC 8965597489771748476be5932bc6a910 [0,2,0,0,0,0|2,0,0]=4 8520 B11R0.174 CCS(=O)CCO[C@@H](C)COC f36dbfc016851d2ef3f98d7f8e5c900d [0,2,0,0,0,0|2,0,0]=4 8521 B11R0.174 CCS(=O)CCO[C@H](C)COC 5223b122b715a814c7e01b0a282ae360 [0,2,0,0,0,0|2,0,0]=4 8522 B11R0.174 CC[C@@H](C)CNCC(C)CCO 5dc3dc73527856d89dc0323b39ecd890 [0,2,0,0,0,0|2,0,0]=4 8523 B11R0.174 CC[C@@H](C)CNCC(O)COC 74db185aa881e4a8cd21669d78e5559c [0,2,0,0,0,0|2,0,0]=4 8524 B11R0.174 CC[C@@H](C)CNC[C@H](O)COC 773133dc9de30f0922835c82d02da704 [0,2,0,0,0,0|2,0,0]=4 8525 B11R0.174 CC[C@@H](C)COCC(=O)COC 002b822f73ada2fa51df74f98b2142c8 [0,2,0,0,0,0|1,0,1]=4 8526 B11R0.174 CC[C@@H](C)COCC(C)COC 1c0a28e478960775500f3d75f0894ef0 [0,2,0,0,0,0|1,0,0]=3 8527 B11R0.174 CC[C@@H](C)COC[C@@H](C)COC 22d913da4535254c82c24ee83369da23 [0,2,0,0,0,0|1,0,0]=3 8528 B11R0.174 CC[C@@H](C)COC[C@@H](O)CCO 6b94c1d3274c0e0180f1b8be1786126f [0,2,0,0,0,0|1,0,0]=3 8529 B11R0.174 CC[C@@H](O)CNCC(O)COC 90d1792c230f4acb0824f537dd3a9d8a [0,2,0,0,0,0|2,0,0]=4 8530 B11R0.174 CC[C@@H](O)CNC[C@@H](O)CCO 778bb10024866b94ebd1470350be992b [0,2,0,0,0,0|2,0,0]=4 8531 B11R0.174 CC[C@H](C)CCOC(C)CC#N 88ea806ca7001f22b72188c3ff46dc96 [0,2,0,0,0,0|1,0,1]=4 8532 B11R0.174 CC[C@H](C)CCOC(C)COC f783a533c4b3ad7528b7e7da87f5c244 [0,2,0,0,0,0|1,0,0]=3 8533 B11R0.174 CC[C@H](C)CNCC(C)CCO c0f60963e5b9786e5054ec5ee412f17d [0,2,0,0,0,0|2,0,0]=4 8534 B11R0.174 CC[C@H](C)CNCC(O)COC 6ab99fd1144f955734d5b647561b9013 [0,2,0,0,0,0|2,0,0]=4 8535 B11R0.174 CC[C@H](C)CNC[C@@H](O)CCO ffeb97a5d20b29b2f3431bbd1f244295 [0,2,0,0,0,0|2,0,0]=4 8536 B11R0.174 CC[C@H](C)CNC[C@H](O)COC a91a08d5164f764ea279d8dd94094e9c [0,2,0,0,0,0|2,0,0]=4 8537 B11R0.174 CC[C@H](C)COCC(=O)COC f8d743dd3c8d34bd4ecaf9f873e7565b [0,2,0,0,0,0|1,0,1]=4 8538 B11R0.174 CC[C@H](C)COCC(C)COC 929b3d9766b794a040b8e8ea7e79ee5f [0,2,0,0,0,0|1,0,0]=3 8539 B11R0.174 CC[C@H](C)COC[C@@H](C)COC 19d21d2f7e8ada69945a1123ac5e7a8a [0,2,0,0,0,0|1,0,0]=3 8540 B11R0.174 CC[C@H](C)COC[C@@H](O)CCO ca05233e3716ce7df2d4dcef9a757fd7 [0,2,0,0,0,0|1,0,0]=3 8541 B11R0.174 COC(C)COC[C@@H](O)CCO e68021e5186c755bf93ed775079cb8be [0,2,0,0,0,0|2,0,0]=4 8542 B11R0.174 COCC(C)COCC(C)OC 251cb2a2b0c25fa786d8a2361c7005ec [0,2,0,0,0,0|2,0,0]=4 8543 B11R0.174 COCC(C)COC[C@@H](C)OC c6936bd15a66448ed25fbcd43e961a55 [0,2,0,0,0,0|2,0,0]=4 8544 B11R0.174 COCC(C)COC[C@H](C)OC 300cdd8046ebe6176f31b85b476ba1e3 [0,2,0,0,0,0|2,0,0]=4 8545 B11R0.174 COCC(C)OCCC(C)OC cccb78345263a3e4135f3d2c6ee78153 [0,2,0,0,0,0|2,0,0]=4 8546 B11R0.174 COC[C@H](C)COCC(C)OC c420900599cdcbc8bae04f0acac49b69 [0,2,0,0,0,0|2,0,0]=4 8547 B11R0.174 COC[C@H](C)COC[C@@H](C)OC 652d213c9cb44fa9ae6c64bffcaee675 [0,2,0,0,0,0|2,0,0]=4 8548 B11R0.174 COC[C@H](C)COC[C@H](C)OC 0bfa9af805869572c75b5d414de2e406 [0,2,0,0,0,0|2,0,0]=4 8549 B11R0.174 CO[C@@H](C)COC[C@@H](O)CCO 73f8978343d1b743d527f1411f40b4f8 [0,2,0,0,0,0|2,0,0]=4 8550 B11R0.174 CO[C@H](C)COC[C@@H](O)CCO 2f5274905cdaed6b162bccccb0a1376b [0,2,0,0,0,0|2,0,0]=4 8551 B11R0.174 OCC[C@H](O)COCC(Br)CBr bb17db242a0fb7aa246bb911c54ef570 [0,2,0,0,0,0|2,0,0]=4 8552 B11R0.174 OCC[C@H](O)COCC(Cl)CCl a79f29473b7eb4383ccd6e8aae1c348f [0,2,0,0,0,0|2,0,0]=4 8553 B11R0.174 OCC[C@H](O)COCC(S)CS 5994d14205140c216bd50a98c873ec36 [0,2,0,0,0,0|2,0,0]=4 8554 B11R0.176 C#CCC(C)OCCCC(C)C 163a4a071feaa377f881e0f838dc25c8 [0,2,0,0,0,0|0,0,2]=4 8555 B11R0.176 C/C=C/C(C)OCCCC(C)C 0e76cf0f2bf9cc1cc0a6f6332b5498e9 [0,2,0,0,0,0|0,0,2]=4 8556 B11R0.176 C=C(Br)CCOCC(C)CCC 2a8ac38bc2b158f4441f57e0419f4d80 [0,2,0,0,0,0|0,0,2]=4 8557 B11R0.176 C=C(C)CCCNC(C)CCC cf7aa5f43c0d7bb4619e19c9051d5377 [0,2,0,0,0,0|1,0,1]=4 8558 B11R0.176 C=C(C)CCCN[C@@H](C)CCC a79c7f661fefa818b63b147d2bcd080d [0,2,0,0,0,0|1,0,1]=4 8559 B11R0.176 C=C(C)CCCOC(=S)CCC 06f0d2133543f9c78504c69a8dcd99b6 [0,2,0,0,0,0|0,0,2]=4 8560 B11R0.176 C=C(C)CCCOC(C)CCC 31423e5291d34e19f4f1db5e68755e4f [0,2,0,0,0,0|0,0,1]=3 8561 B11R0.176 C=C(C)CCCOC(C)COC 00c26ba96c5ab5734fea14e5ae8f46b4 [0,2,0,0,0,0|1,0,1]=4 8562 B11R0.176 C=C(C)CCCOC(C)CSC b1362e0d2d2a241d9c647f43204e1c31 [0,2,0,0,0,0|1,0,1]=4 8563 B11R0.176 C=C(C)CCCO[C@@H](C)CCC b2d4e3ef7f4dd9ea0b8bbe7c43721bbe [0,2,0,0,0,0|0,0,1]=3 8564 B11R0.176 C=C(C)CCCO[C@@H](C)COC 198e4c14aa9da308212b15e55dd23ea8 [0,2,0,0,0,0|1,0,1]=4 8565 B11R0.176 C=C(C)CCCO[C@H](C)CCC feb6b2aaba50419632b041cc12a5e5df [0,2,0,0,0,0|0,0,1]=3 8566 B11R0.176 C=C(C)CCCO[C@H](C)COC 1a9f410d33fe7a299d17658edbd0257a [0,2,0,0,0,0|1,0,1]=4 8567 B11R0.176 C=C(C)CCNCC(C)CCC 71ad5e990f7bfdabbbb7f847d010341a [0,2,0,0,0,0|1,0,1]=4 8568 B11R0.176 C=C(C)CCNCC(O)CCC a768b2f6ed0bec373f8b0df4c976d571 [0,2,0,0,0,0|1,0,1]=4 8569 B11R0.176 C=C(C)CCOCC(=O)CCC 9c44c524c3a3249e5de2ed263344d68f [0,2,0,0,0,0|0,0,2]=4 8570 B11R0.176 C=C(C)CCOCC(C)CCC 4d65fbb8ed4026f9a148545372d0d1a1 [0,2,0,0,0,0|0,0,1]=3 8571 B11R0.176 C=C(C)CCOCC(C)COC a8aafa9780f65678d1f53758cee9726f [0,2,0,0,0,0|1,0,1]=4 8572 B11R0.176 C=C(C)CCOCC(C)OCC c0ebc737b1169c1a5b6f15eb6c5d1914 [0,2,0,0,0,0|1,0,1]=4 8573 B11R0.176 C=C(C)CCOC[C@@H](C)COC 7f68d044453804c9c2c2108ee683af4e [0,2,0,0,0,0|1,0,1]=4 8574 B11R0.176 C=C(C)CCOC[C@@H](O)CCO b937c1f7ca54ebab28b04089d3b1c113 [0,2,0,0,0,0|1,0,1]=4 8575 B11R0.176 C=CCC(C)COCCC(C)C b369b2167e3be196a38ca486436ac2cc [0,2,0,0,0,0|0,0,2]=4 8576 B11R0.176 C=CCC(C)OCCCC(C)C 20dc0dc5bcd382919c3ac45514fa55f1 [0,2,0,0,0,0|0,0,2]=4 8577 B11R0.176 C=CC[C@@H](C)OCCCC(C)C c667603455271c566ca59f015472650d [0,2,0,0,0,0|0,0,2]=4 8578 B11R0.176 C=CC[C@H](C)OCCCC(C)C d4124d9a328e2ba756acde1c6142ffa1 [0,2,0,0,0,0|0,0,2]=4 8579 B11R0.176 CC#CC(C)OCCCC(C)C f24506c3bfb9d3e8e5bfce3768a2f3b6 [0,2,0,0,0,0|0,0,2]=4 8580 B11R0.176 CC(=O)CCOC[C@@H](O)CCO b5234aeac1920ed6168dfe4f05a33ad9 [0,2,0,0,0,0|1,0,1]=4 8581 B11R0.176 CC(C)CCCNC(C)CCO e9593a1773819ec49a75c1ce16c4a2b7 [0,2,0,0,0,0|2,0,0]=4 8582 B11R0.176 CC(C)CCCN[C@@H](C)CCO ae685661ac0f9b3783e74a495ca3b53b [0,2,0,0,0,0|2,0,0]=4 8583 B11R0.176 CC(C)CCCN[C@H](C)CCO 1af63397775272e10adcb1d0fd4f408c [0,2,0,0,0,0|2,0,0]=4 8584 B11R0.176 CC(C)CCCOC(C)CC#N 1c479f0eacad9ced61d16adb8746998a [0,2,0,0,0,0|1,0,1]=4 8585 B11R0.176 CC(C)CCCO[C@@H](C)CC#N 24274150527c144746f9fc0312377545 [0,2,0,0,0,0|1,0,1]=4 8586 B11R0.176 CC(C)CCCO[C@H](C)CC#N 6194ff4cd6b37fcdd9e35a3bccc061fd [0,2,0,0,0,0|1,0,1]=4 8587 B11R0.176 CC(C)CCNCC(C)CCO f8a31410be1e715041ca8486fcd3ceb1 [0,2,0,0,0,0|2,0,0]=4 8588 B11R0.176 CC(C)CCNC[C@@H](O)CCO 7813989ee889ef44d2d7cba330899688 [0,2,0,0,0,0|2,0,0]=4 8589 B11R0.176 CC(C)CCOC[C@@H](O)CCO 81c44fb426df76ea93c76505c87fd5ea [0,2,0,0,0,0|1,0,0]=3 8590 B11R0.176 CC(O)CCCNC(C)CCO 432a8f1558ecc4a98b69788e3ca6f2ad [0,2,0,0,0,0|2,0,0]=4 8591 B11R0.176 CC(O)CCCN[C@@H](C)CCO 8053057166ef96a5c3e2021435d12ff8 [0,2,0,0,0,0|2,0,0]=4 8592 B11R0.176 CC(O)CCCN[C@H](C)CCO df91f3a10dd51cc9c2fe9f2159f950cf [0,2,0,0,0,0|2,0,0]=4 8593 B11R0.176 CC(O)CCNCC(C)CCO e3898eeb48243b26969d11578721bb9a [0,2,0,0,0,0|2,0,0]=4 8594 B11R0.176 CC(O)CCNC[C@@H](O)CCO eda96d971ed969a9966256bcab6878fb [0,2,0,0,0,0|2,0,0]=4 8595 B11R0.176 CC=CC(C)OCCCC(C)C ed274d38b5e056f4bde33f46c3e9ab41 [0,2,0,0,0,0|0,0,2]=4 8596 B11R0.176 CCCC(=O)CNCCC(C)C 311c7bb78e0d041c14f5cbc9da42948d [0,2,0,0,0,0|1,0,1]=4 8597 B11R0.176 CCCC(=O)CNCCC(C)O b72f56b2f314d16d6202ad997932347b [0,2,0,0,0,0|1,0,1]=4 8598 B11R0.176 CCCC(=O)CNCC[C@@H](C)O f4aa6314f056fc60d53d32325c6560d9 [0,2,0,0,0,0|1,0,1]=4 8599 B11R0.176 CCCC(=O)CNCC[C@H](C)O 4eb7668ba9255a3390da70d90c5df24b [0,2,0,0,0,0|1,0,1]=4 8600 B11R0.176 CCCC(=O)COCCC(=O)C 30d1f070029befa3b0666b78064dd252 [0,2,0,0,0,0|0,0,2]=4 8601 B11R0.176 CCCC(=O)COCCC(C)C fafcf3956ddfaf9fda8bcce367641fd0 [0,2,0,0,0,0|0,0,1]=3 8602 B11R0.176 CCCC(=O)COCCC(F)F dcd99da61cae5a75e55c884aa36902c0 [0,2,0,0,0,0|1,0,1]=4 8603 B11R0.176 CCCC(=O)COCCN(C)C 629ddddc14b4b1ccea1cb881ae7d0e74 [0,2,0,0,0,0|1,0,1]=4 8604 B11R0.176 CCCC(=O)COCCS(=O)C 5672df53a9563d296bdc63de60ead129 [0,2,0,0,0,0|1,0,1]=4 8605 B11R0.176 CCCC(=O)NCCCC(C)C 0addf1beaad564b615d19ab8a52af8fd [0,2,0,0,0,0|1,0,1]=4 8606 B11R0.176 CCCC(=O)OCCOC(C)C d6fb9d55c8594e21b596cb2208cfae4e [0,2,0,0,0,0|1,0,1]=4 8607 B11R0.176 CCCC(=O)OCNCC(C)C 462175424f431d5efe3005b98c3393e4 [0,2,0,0,0,0|1,0,1]=4 8608 B11R0.176 CCCC(=O)OCNCC(C)O b304759118d7c52a7f930f37e90b9124 [0,2,0,0,0,0|1,0,1]=4 8609 B11R0.176 CCCC(=O)OCNC[C@@H](C)O 0787f3e46adef2052e68a66bfd8172d2 [0,2,0,0,0,0|1,0,1]=4 8610 B11R0.176 CCCC(=O)OCNC[C@H](C)O 5ce52f7828f664ce01404fd1978aef6f [0,2,0,0,0,0|1,0,1]=4 8611 B11R0.176 CCCC(=O)OCOCC(C)C 9d6081c835bc8424ad8872c9637ba9b8 [0,2,0,0,0,0|1,0,1]=4 8612 B11R0.176 CCCC(=O)OCOCC(C)F 95a6308264889399aeb20497624f246a [0,2,0,0,0,0|1,0,1]=4 8613 B11R0.176 CCCC(=O)OCOCC(C)S f505a3385959087b173f866d932faed1 [0,2,0,0,0,0|1,0,1]=4 8614 B11R0.176 CCCC(=O)OCOC[C@@H](C)F f5a607bf0a321f8665b4338b4b2e95ba [0,2,0,0,0,0|1,0,1]=4 8615 B11R0.176 CCCC(=O)OCOC[C@H](C)F 059a603dece5a36f772994b06679f618 [0,2,0,0,0,0|1,0,1]=4 8616 B11R0.176 CCCC(=S)OCCCC(=O)C ff8c32e800cfc46d63e45dc82c5e6201 [0,2,0,0,0,0|0,0,2]=4 8617 B11R0.176 CCCC(=S)OCCCC(C)C 0022d3acc9a321b5b7157c3dd124934e [0,2,0,0,0,0|0,0,1]=3 8618 B11R0.176 CCCC(=S)OCCCN(C)C b2bcc3558a7c6b44b33cc2707518645f [0,2,0,0,0,0|1,0,1]=4 8619 B11R0.176 CCCC(=S)OCCOC(C)C 83ae0a38e2e7a1397a1ad203d1a72a47 [0,2,0,0,0,0|1,0,1]=4 8620 B11R0.176 CCCC(=S)OCCSC(C)C 1b2e3e0bc770d0a913575700f740552a [0,2,0,0,0,0|1,0,1]=4 8621 B11R0.176 CCCC(C)CCCOC(C)C 4e67ae063fe600322af6e7b5cb499c37 [0,2,0,0,0,0|2,0,0]=4 8622 B11R0.176 CCCC(C)CCOCC(C)C 24b9b43e7ec029c4bd58d608f2baafb7 [0,2,0,0,0,0|2,0,0]=4 8623 B11R0.176 CCCC(C)CNCCC(C)C 22d9c31b764614257e5c7b451810e48f [0,2,0,0,0,0|1,0,0]=3 8624 B11R0.176 CCCC(C)CNCCC(C)O ab2f4999a5158b8e897c018cd358cfd8 [0,2,0,0,0,0|1,0,0]=3 8625 B11R0.176 CCCC(C)CNCCC(F)F f1a5d5ee308112bad799cc156d8fc3df [0,2,0,0,0,0|2,0,0]=4 8626 B11R0.176 CCCC(C)CNCCN(C)C 151d14099c2f1303267c20c6a4fbb049 [0,2,0,0,0,0|2,0,0]=4 8627 B11R0.176 CCCC(C)CNCCS(=O)C 2744cbc6c6b8bde8f030d53a9bce9958 [0,2,0,0,0,0|2,0,0]=4 8628 B11R0.176 CCCC(C)CNCC[C@@H](C)O dc89991e487d286fff7953d069965ac5 [0,2,0,0,0,0|1,0,0]=3 8629 B11R0.176 CCCC(C)CNCC[C@H](C)O 174303d10f536105779af286b4fca2ad [0,2,0,0,0,0|1,0,0]=3 8630 B11R0.176 CCCC(C)COC/C=C(/C)\Cl 50e8bf78bcb30e7426592507cfe7fbf6 [0,2,0,0,0,0|0,0,2]=4 8631 B11R0.176 CCCC(C)COC/C=C(/C)\I 7fba143437b8ef27570d65aeac5d0180 [0,2,0,0,0,0|0,0,2]=4 8632 B11R0.176 CCCC(C)COC/C=C(\C)/Cl c6206d41198e65ded5e0186f8a1c8124 [0,2,0,0,0,0|0,0,2]=4 8633 B11R0.176 CCCC(C)COCC=C(C)C da74de5db2548703392324835923c8b1 [0,2,0,0,0,0|0,0,2]=4 8634 B11R0.176 CCCC(C)COCC=C(C)Cl fca4fd535a1ad3c17b58bff8b7b9f3bc [0,2,0,0,0,0|0,0,2]=4 8635 B11R0.176 CCCC(C)COCC=C(C)I f375e0d4bbf113a3fdc872bd118cb4a2 [0,2,0,0,0,0|0,0,2]=4 8636 B11R0.176 CCCC(C)COCCC(=O)C bd63923e341658bc0c9300990aab97f0 [0,2,0,0,0,0|0,0,1]=3 8637 B11R0.176 CCCC(C)COCCC(=O)N 58b947f8fa61af8147ed00e5f4889046 [0,2,0,0,0,0|1,0,1]=4 8638 B11R0.176 CCCC(C)COCCC(=O)O bd84fe650b47e44f2be6aeb7b4c8bf06 [0,2,0,0,0,0|1,0,1]=4 8639 B11R0.176 CCCC(C)COCCC(C)C 642c71fb9d9145d111051a747da01b73 [0,2,0,0,0,0|0,0,0]=2 8640 B11R0.176 CCCC(C)COCCC(F)F 2b27410f5a9215bcdb85f41e0bebd5ab [0,2,0,0,0,0|1,0,0]=3 8641 B11R0.176 CCCC(C)COCCN(C)C c2b253b73b998100586fc8fff28897b1 [0,2,0,0,0,0|1,0,0]=3 8642 B11R0.176 CCCC(C)COCCS(=O)C c6851cd8bdfab00ab6105a7622aa0ddf [0,2,0,0,0,0|1,0,0]=3 8643 B11R0.176 CCCC(C)COCC[N+](=O)[O-] b862f24cc51c30980e911247f5282666 [0,2,0,0,0,0|2,0,0]=4 8644 B11R0.176 CCCC(C)COCNC(=O)C 162e1f0126d815e77301ef5132662890 [0,2,0,0,0,0|1,0,1]=4 8645 B11R0.176 CCCC(C)COCOC(=O)C 681fff3619a740e736416cd45268b407 [0,2,0,0,0,0|1,0,1]=4 8646 B11R0.176 CCCC(C)COCOC(C)C aea6c13a47128a3c7f3afddafbf8f421 [0,2,0,0,0,0|1,0,0]=3 8647 B11R0.176 CCCC(C)NCCCC(=O)C 79eb50a76b50a71931c0c933e59fcd2f [0,2,0,0,0,0|1,0,1]=4 8648 B11R0.176 CCCC(C)NCCCC(C)C f04bfc19f42e9a7285570ee0ba396bbb [0,2,0,0,0,0|1,0,0]=3 8649 B11R0.176 CCCC(C)NCCCC(C)O 631edea0bdce64152542720db6e368b5 [0,2,0,0,0,0|1,0,0]=3 8650 B11R0.176 CCCC(C)NCCCN(C)C c8b22f059c2c56e8ed1881a143257382 [0,2,0,0,0,0|2,0,0]=4 8651 B11R0.176 CCCC(C)NCCCS(=O)C 63b91231e5808b04ac856df739e646ae [0,2,0,0,0,0|2,0,0]=4 8652 B11R0.176 CCCC(C)NCCOC(C)C 6677b643d59a2486a78723750018db0c [0,2,0,0,0,0|2,0,0]=4 8653 B11R0.176 CCCC(C)NCCSC(C)C 744fb5105e5f16b133b151865a7c8cc4 [0,2,0,0,0,0|2,0,0]=4 8654 B11R0.176 CCCC(C)OC/C=C/C(C)C 166c798843657b78d88676bd1a3e14e2 [0,2,0,0,0,0|0,0,2]=4 8655 B11R0.176 CCCC(C)OCCC=C(C)C 9511b5ed2303b3f367dff911bcb93f8d [0,2,0,0,0,0|0,0,2]=4 8656 B11R0.176 CCCC(C)OCCCC(=O)C 96bfe9d58b63417e93594d6565e1abcf [0,2,0,0,0,0|0,0,1]=3 8657 B11R0.176 CCCC(C)OCCCC(=O)N 34f4dda2cc7c092c131b383432741a79 [0,2,0,0,0,0|1,0,1]=4 8658 B11R0.176 CCCC(C)OCCCC(C)C e3bb3c4c8fbb375bcd15bfb88c1609db [0,2,0,0,0,0|0,0,0]=2 8659 B11R0.176 CCCC(C)OCCCN(C)C f4df3e1a23461a921010976580ea2900 [0,2,0,0,0,0|1,0,0]=3 8660 B11R0.176 CCCC(C)OCCC[N+](=O)[O-] 2da5b12f2574035139400a83068721dc [0,2,0,0,0,0|2,0,0]=4 8661 B11R0.176 CCCC(C)OCCNC(=O)C 884bf69ea6a63bb999ee7e7610f71544 [0,2,0,0,0,0|1,0,1]=4 8662 B11R0.176 CCCC(C)OCCOC(=O)C 98893700704bcbf0ba604049cd80373b [0,2,0,0,0,0|1,0,1]=4 8663 B11R0.176 CCCC(C)OCCOC(C)C 956b3c7e04804815539604d8b7a5ce99 [0,2,0,0,0,0|1,0,0]=3 8664 B11R0.176 CCCC(C)OCCOC(F)F be0d33bc5e8b4711bfeece90604bb3b1 [0,2,0,0,0,0|2,0,0]=4 8665 B11R0.176 CCCC(C)OCCSC(=O)C d3a006225cbc28205024e53379918c52 [0,2,0,0,0,0|1,0,1]=4 8666 B11R0.176 CCCC(C)OCCSC(C)C 579ac3a2d13873cc7b4bbf45ffdd65f4 [0,2,0,0,0,0|1,0,0]=3 8667 B11R0.176 CCCC(O)CNCCC(=O)C e02e86ed7fd6744f57635282519df3e7 [0,2,0,0,0,0|1,0,1]=4 8668 B11R0.176 CCCC(O)CNCCC(C)C 19b6c3ce40b58c37073a9cd0360bae4f [0,2,0,0,0,0|1,0,0]=3 8669 B11R0.176 CCCC(O)CNCCC(C)O 702fbf0bb40b1da0a84b4de3ca529276 [0,2,0,0,0,0|1,0,0]=3 8670 B11R0.176 CCCC(O)CNCCN(C)C 07e05be13df610ed95ec8424525c579e [0,2,0,0,0,0|2,0,0]=4 8671 B11R0.176 CCCC(O)CNCCS(=O)C 3f3601cda17766218328bbe723406dd0 [0,2,0,0,0,0|2,0,0]=4 8672 B11R0.176 CCCC(O)CNCOC(C)C 5c6ddbbf4420aaf97f0d4b4f04cef604 [0,2,0,0,0,0|2,0,0]=4 8673 B11R0.176 CCCC(S)CCOCC(C)C 19b9eec575fab99591951cb0fcf1223b [0,2,0,0,0,0|2,0,0]=4 8674 B11R0.176 CCCN(C)CCCCC(C)C 64b7040b645e04f5cd9237794a649b32 [0,2,0,0,0,0|2,0,0]=4 8675 B11R0.176 CCCN(C)CCCCC(C)O fd4ed3a5d668a0b7cf3d1160786f2906 [0,2,0,0,0,0|2,0,0]=4 8676 B11R0.176 CCCN(C)CCCC[C@@H](C)O aacd8625fa2314f297b0e0b9dcec693a [0,2,0,0,0,0|2,0,0]=4 8677 B11R0.176 CCC[C@@H](C)OC/C=C/C(C)C fba119e0be35016870228ebaeafe0e10 [0,2,0,0,0,0|0,0,2]=4 8678 B11R0.176 CCC[C@@H](C)OCCC=C(C)C 557a757e72b91089c17d060683377757 [0,2,0,0,0,0|0,0,2]=4 8679 B11R0.176 CCC[C@@H](C)OCCCC(=O)C 5c0372cf8436cbcabf8a92bbcecf0d0f [0,2,0,0,0,0|0,0,1]=3 8680 B11R0.176 CCC[C@@H](C)OCCCC(=O)N 066d5263b19b4a986ad51196f09e594b [0,2,0,0,0,0|1,0,1]=4 8681 B11R0.176 CCC[C@@H](C)OCCCC(C)C 0b786c8e8da7f8b561a35fef44b01d3d [0,2,0,0,0,0|0,0,0]=2 8682 B11R0.176 CCC[C@@H](C)OCCCN(C)C 2c0c62dd7c589c6b8e40d642d313f777 [0,2,0,0,0,0|1,0,0]=3 8683 B11R0.176 CCC[C@@H](C)OCCC[N+](=O)[O-] 7bbade4ef87ed4f1aa160ed19b895adc [0,2,0,0,0,0|2,0,0]=4 8684 B11R0.176 CCC[C@@H](C)OCCNC(=O)C 3b4008718229c3edcb442d20f38e8c3e [0,2,0,0,0,0|1,0,1]=4 8685 B11R0.176 CCC[C@@H](C)OCCOC(=O)C bc218629d83a67047271ba4fa8d29871 [0,2,0,0,0,0|1,0,1]=4 8686 B11R0.176 CCC[C@@H](C)OCCOC(C)C c74586a1b12b1f11fac30a110009d770 [0,2,0,0,0,0|1,0,0]=3 8687 B11R0.176 CCC[C@@H](C)OCCOC(F)F 21d9bba51d4224018b8df3e3bfea9eca [0,2,0,0,0,0|2,0,0]=4 8688 B11R0.176 CCC[C@@H](C)OCCSC(=O)C 13b61313eb373ae5596edbe6664f292f [0,2,0,0,0,0|1,0,1]=4 8689 B11R0.176 CCC[C@@H](C)OCCSC(C)C 682586fc4d4110bd113f61a936b3fcaa [0,2,0,0,0,0|1,0,0]=3 8690 B11R0.176 CCC[C@H](C)NCCCC(=O)C e24e3060e406b1afa25fa4590636f9fd [0,2,0,0,0,0|1,0,1]=4 8691 B11R0.176 CCC[C@H](C)NCCCC(C)C 139f65992f072b653f78a5c203bdf2cc [0,2,0,0,0,0|1,0,0]=3 8692 B11R0.176 CCC[C@H](C)NCCCC(C)O 890848f965f22eb1f5f5fa5a61063d5c [0,2,0,0,0,0|1,0,0]=3 8693 B11R0.176 CCC[C@H](C)NCCCN(C)C 4a82314a5037bc775bf735d687951f99 [0,2,0,0,0,0|2,0,0]=4 8694 B11R0.176 CCC[C@H](C)NCCOC(C)C d85bc5bbd228d0d690371ea182ba57e2 [0,2,0,0,0,0|2,0,0]=4 8695 B11R0.176 CCC[C@H](C)NCCSC(C)C 1f3926bea87c4ae6c3b3076aa5ff62f4 [0,2,0,0,0,0|2,0,0]=4 8696 B11R0.176 CCC[C@H](C)OC/C=C/C(C)C 4f6cbf8e927288a6038da28f0185d2da [0,2,0,0,0,0|0,0,2]=4 8697 B11R0.176 CCC[C@H](C)OCCC=C(C)C 294caa694905787103e452dd5e386229 [0,2,0,0,0,0|0,0,2]=4 8698 B11R0.176 CCC[C@H](C)OCCCC(=O)C 0e20888937b7c12d77484063f65da900 [0,2,0,0,0,0|0,0,1]=3 8699 B11R0.176 CCC[C@H](C)OCCCC(=O)N 05a708350f9e23ed0eb7a85a60327220 [0,2,0,0,0,0|1,0,1]=4 8700 B11R0.176 CCC[C@H](C)OCCCC(C)C 15284732fe8408fe58ec6d13ea3db5d1 [0,2,0,0,0,0|0,0,0]=2 8701 B11R0.176 CCC[C@H](C)OCCCN(C)C 8f6ed8c68dd9295126532f92194cd81e [0,2,0,0,0,0|1,0,0]=3 8702 B11R0.176 CCC[C@H](C)OCCC[N+](=O)[O-] ca860951076a79b24bb0935572364b1b [0,2,0,0,0,0|2,0,0]=4 8703 B11R0.176 CCC[C@H](C)OCCNC(=O)C 09d6f0f180a6613840ed59de46df85b9 [0,2,0,0,0,0|1,0,1]=4 8704 B11R0.176 CCC[C@H](C)OCCOC(=O)C 0d9168dc12ec74b0b0b2ff43841faa9a [0,2,0,0,0,0|1,0,1]=4 8705 B11R0.176 CCC[C@H](C)OCCOC(C)C 6fc53a884ab8dfbb931ca9ed3d5baf6f [0,2,0,0,0,0|1,0,0]=3 8706 B11R0.176 CCC[C@H](C)OCCOC(F)F f2d7f4671f683271e7cdd160f0fc07c0 [0,2,0,0,0,0|2,0,0]=4 8707 B11R0.176 CCC[C@H](C)OCCSC(=O)C 6c3cbd4633c298547edd69d82475d241 [0,2,0,0,0,0|1,0,1]=4 8708 B11R0.176 CCC[C@H](C)OCCSC(C)C 8b2676b0841a9803d999d2f96d138b56 [0,2,0,0,0,0|1,0,0]=3 8709 B11R0.176 CCNC(=O)COCCC(C)C d0507196a7e6bf1c34d2bdec31bf6a54 [0,2,0,0,0,0|1,0,1]=4 8710 B11R0.176 CCOC(=O)COCCC(C)C b1594b7f7bda34bad84bf73b0d0f32ac [0,2,0,0,0,0|1,0,1]=4 8711 B11R0.176 CCOC(C)CNCCC(C)C 543563ec4f00f3f8118c831c714d1f6a [0,2,0,0,0,0|2,0,0]=4 8712 B11R0.176 CCOC(C)CNCCC(C)O e816276a0f8f29b6d87250960f06475e [0,2,0,0,0,0|2,0,0]=4 8713 B11R0.176 CCOC(C)COCCC(=O)C 7a372dae6270d1913fcbbf18cdc7bd62 [0,2,0,0,0,0|1,0,1]=4 8714 B11R0.176 CCOC(C)COCCC(C)C d46fe38563392c4c740a0735534629e6 [0,2,0,0,0,0|1,0,0]=3 8715 B11R0.176 CCOC(C)COCCN(C)C 7ba5c9df67a84746c79ea3830326fbd7 [0,2,0,0,0,0|2,0,0]=4 8716 B11R0.176 CCOC(C)COCCS(=O)C bc739a22e14a20833b965f1343d58acc [0,2,0,0,0,0|2,0,0]=4 8717 B11R0.176 CCOC(C)COCOC(C)C 6e23595a473dca811f110388f3fbc5de [0,2,0,0,0,0|2,0,0]=4 8718 B11R0.176 CN(C)CCOC[C@@H](O)CCO 43fa61bb44db3fc58f31f7d18384f7db [0,2,0,0,0,0|2,0,0]=4 8719 B11R0.176 COCC(=O)COCCC(C)C 125b7cd292a5c827315afa4ac4d7ade3 [0,2,0,0,0,0|1,0,1]=4 8720 B11R0.176 COCC(C)COCCC(=O)C d8021896dfba078b4d0a03fc8c48bba5 [0,2,0,0,0,0|1,0,1]=4 8721 B11R0.176 COCC(C)COCCC(C)C 2b2ffca473ae3834a1364518c5b14ef1 [0,2,0,0,0,0|1,0,0]=3 8722 B11R0.176 COCC(C)NCCCC(C)C e777ea4ff5d3c5d329d1f1eab34386bb [0,2,0,0,0,0|2,0,0]=4 8723 B11R0.176 COCC(C)NCCCC(C)O 1353861cc3ce9435871226ec63be9185 [0,2,0,0,0,0|2,0,0]=4 8724 B11R0.176 COCC(C)OCCCC(=O)C 7acb5c43eca2951defa2edf53a6b884f [0,2,0,0,0,0|1,0,1]=4 8725 B11R0.176 COCC(C)OCCCC(C)C 6cde69930856067e191de77a9c1379d4 [0,2,0,0,0,0|1,0,0]=3 8726 B11R0.176 COCC(C)OCCCN(C)C 1159dedfca06b3f088f1de218f24bc39 [0,2,0,0,0,0|2,0,0]=4 8727 B11R0.176 COCC(C)OCCOC(C)C 51042473644df947394c3431f238d34f [0,2,0,0,0,0|2,0,0]=4 8728 B11R0.176 COCC(C)OCCSC(C)C 1e275a1c6a50b84a64bf8c4ebc7bc0db [0,2,0,0,0,0|2,0,0]=4 8729 B11R0.176 COCC(O)CNCCC(C)C 9bbea04ed893f791f68a88e0895352ee [0,2,0,0,0,0|2,0,0]=4 8730 B11R0.176 COCC(O)CNCCC(C)O 84c58f423a98ba0b4eb8b5761222481d [0,2,0,0,0,0|2,0,0]=4 8731 B11R0.176 COCC(O)CNCC[C@@H](C)O fcd5fd0cb6a34b0f4e6631b569ff3166 [0,2,0,0,0,0|2,0,0]=4 8732 B11R0.176 COCC(O)CNCC[C@H](C)O 1a6a0ffbe18d15560fda02ca84fb9744 [0,2,0,0,0,0|2,0,0]=4 8733 B11R0.176 COC[C@@H](C)NCCCC(C)C 4c6a44247e6fb5d83c4b7c811a0290e4 [0,2,0,0,0,0|2,0,0]=4 8734 B11R0.176 COC[C@@H](C)NCCCC(C)O 26828a7ca24764f3b6e96038a6f58f61 [0,2,0,0,0,0|2,0,0]=4 8735 B11R0.176 COC[C@@H](C)OCCCC(=O)C 056e8a0e71b8ed4612753f66176e372e [0,2,0,0,0,0|1,0,1]=4 8736 B11R0.176 COC[C@@H](C)OCCCC(C)C 9f422459cb133fe87c760e3d899e76c5 [0,2,0,0,0,0|1,0,0]=3 8737 B11R0.176 COC[C@@H](C)OCCCN(C)C a3e5a8479669b9161e55f16bba7874cc [0,2,0,0,0,0|2,0,0]=4 8738 B11R0.176 COC[C@@H](C)OCCOC(C)C e763d61138a7dd37b51548ee3f711dba [0,2,0,0,0,0|2,0,0]=4 8739 B11R0.176 COC[C@@H](C)OCCSC(C)C c40b2c73b8b1ead668cd27d523bb7aef [0,2,0,0,0,0|2,0,0]=4 8740 B11R0.176 COC[C@@H](O)CNCCC(C)C c268c365649889f9c0b42242b070b9fa [0,2,0,0,0,0|2,0,0]=4 8741 B11R0.176 COC[C@@H](O)CNCCC(C)O d6c846436c6a4cb6e1357ed4f1f690ba [0,2,0,0,0,0|2,0,0]=4 8742 B11R0.176 COC[C@H](C)COCCC(=O)C 33abbfa873bf825073cd78005b25f834 [0,2,0,0,0,0|1,0,1]=4 8743 B11R0.176 COC[C@H](C)COCCC(C)C cd97c0f72afa8df456cca783aaa9d9c5 [0,2,0,0,0,0|1,0,0]=3 8744 B11R0.176 COC[C@H](C)NCCCC(C)C 97c9db49ee77f0d1589c83045fea5874 [0,2,0,0,0,0|2,0,0]=4 8745 B11R0.176 COC[C@H](C)NCCCC(C)O 1bad7b80ea43f698bb2d596c2ea7195b [0,2,0,0,0,0|2,0,0]=4 8746 B11R0.176 COC[C@H](C)OCCCC(=O)C 981f2b7b30e18c9c5b4f387c8eb21a7b [0,2,0,0,0,0|1,0,1]=4 8747 B11R0.176 COC[C@H](C)OCCCC(C)C f6db9e1d68bca5b6c580f6e9994a5007 [0,2,0,0,0,0|1,0,0]=3 8748 B11R0.176 COC[C@H](C)OCCCN(C)C 178b3c56d63dd4664425e4d714d54f99 [0,2,0,0,0,0|2,0,0]=4 8749 B11R0.176 COC[C@H](C)OCCOC(C)C 078c897f9bc51d96eb5f3097b569b6dd [0,2,0,0,0,0|2,0,0]=4 8750 B11R0.176 COC[C@H](C)OCCSC(C)C a76b1d1e05b8f792aaad7f8301555edc [0,2,0,0,0,0|2,0,0]=4 8751 B11R0.176 CS(=O)CCOC[C@@H](O)CCO c5de28628f43b42e93dde1aa29ca7d90 [0,2,0,0,0,0|2,0,0]=4 8752 B11R0.176 CSCC(C)OCCCC(=O)C 6f3bf3a3536529e3c35c793453b3e391 [0,2,0,0,0,0|1,0,1]=4 8753 B11R0.176 CSCC(C)OCCCC(C)C dc8ddf62544f1c21365dadd6c65519b0 [0,2,0,0,0,0|1,0,0]=3 8754 B11R0.176 CSCC(C)OCCCN(C)C d443f68b3171813ba4ddc3fe3dff9d79 [0,2,0,0,0,0|2,0,0]=4 8755 B11R0.176 CSCC(C)OCCOC(C)C 3ebfb0d8593ca7c06f29904dd7f06f3c [0,2,0,0,0,0|2,0,0]=4 8756 B11R0.176 CSCC(C)OCCSC(C)C 0def09a0da348569536509cf05a7f1f4 [0,2,0,0,0,0|2,0,0]=4 8757 B11R0.176 C[C@@H](O)CCNC[C@@H](O)CCO 1a76fcf676b75adb2c77b29e1c03ec4f [0,2,0,0,0,0|2,0,0]=4 8758 B11R0.176 C[C@H](O)CCNC[C@@H](O)CCO 9a01fe96f98e5fb15fa7a25b7a110092 [0,2,0,0,0,0|2,0,0]=4 8759 B11R0.176 OCC[C@H](O)COCCC(F)F beb909f6990fea8a54cee52ec59b64b3 [0,2,0,0,0,0|2,0,0]=4 8760 B11R0.304 C=CCC(C)(C)COCCCC 75c99110ca081ff16da1aa861101ad9b [0,2,0,0,0,0|0,0,2]=4 8761 B11R0.304 CCCC(C)(O)CNCCCF 588ae64451b4fb5bfc5d13a4a68ca91a [0,2,0,0,0,0|2,0,0]=4 8762 B11R0.304 CCCC(C)(O)CNCCCO 66eadddaf3b1b9eaf93d1210893fe7e0 [0,2,0,0,0,0|2,0,0]=4 8763 B11R0.304 CCCC(C)(O)CNCCCS a2156c6837d9bf77f468176c78f2c426 [0,2,0,0,0,0|2,0,0]=4 8764 B11R0.304 CCCC(C)(O)CNCCOC 1172f511c69a7f4a0e953c98d47aeabd [0,2,0,0,0,0|2,0,0]=4 8765 B11R0.304 CCCC(C)(O)CNCCSC 8c883ba02b4642f58549cf6660ccdefc [0,2,0,0,0,0|2,0,0]=4 8766 B11R0.304 CCCC(C)(O)CNCOCC ed2c3ad984b21ca66bcad3abb63c4f25 [0,2,0,0,0,0|2,0,0]=4 8767 B11R0.304 CCCCCNC(C)(C)CCO b6e922aeb14cffe1bf41f963dd312475 [0,2,0,0,0,0|2,0,0]=4 8768 B11R0.304 CCCCCNC(C)(C)COC c47ac5e191f1d00dd0af59d992e6648e [0,2,0,0,0,0|2,0,0]=4 8769 B11R0.304 CCCCCNC(C)(C)CSC f45ff57dfba5582bb43bb029a5d6b836 [0,2,0,0,0,0|2,0,0]=4 8770 B11R0.304 CCCCNCC(C)(O)CCC be237eea353aa71e4df4268fbfc4afe3 [0,2,0,0,0,0|1,0,0]=3 8771 B11R0.304 CCCCNCC(C)(O)COC 823433b2a810423ca360bc560260daf1 [0,2,0,0,0,0|2,0,0]=4 8772 B11R0.304 CCCCOCC(C)(C)CC#N 45b8d8807b8053a721747ff300ce5d20 [0,2,0,0,0,0|1,0,1]=4 8773 B11R0.304 CCCCOCC(C)(C)COC d5f4ad45560c7323031d5bb991f74ecc [0,2,0,0,0,0|1,0,0]=3 8774 B11R0.304 CCCCOCC(C)(C)OCC c467fb0a7f49e080a04bf62a5e1ee566 [0,2,0,0,0,0|1,0,0]=3 8775 B11R0.304 CCCOCCC(C)(S)CCC f5ca5797e5f025364b402e2b996f454f [0,2,0,0,0,0|2,0,0]=4 8776 B11R0.304 CCOC(C)(C)COCCCF 385df9d7157e73efe6396af22bfa7f09 [0,2,0,0,0,0|2,0,0]=4 8777 B11R0.304 CCOC(C)(C)COCCCS f552c865fc65c6cc510c99b61e221a4b [0,2,0,0,0,0|2,0,0]=4 8778 B11R0.304 CCOC(C)(C)COCCOC 12a6ab2f98cd4a505c71e72ffa0bf991 [0,2,0,0,0,0|2,0,0]=4 8779 B11R0.304 CCOC(C)(C)COCCSC 83da4848d8df25961110084330bb5594 [0,2,0,0,0,0|2,0,0]=4 8780 B11R0.304 CCOCOCC(C)(C)COC 1aa539f507dea627945c14a87fa12611 [0,2,0,0,0,0|2,0,0]=4 8781 B11R0.304 CCOCOCC(C)(C)OCC 02a07b1aaf351a240288908e7ecb69c2 [0,2,0,0,0,0|2,0,0]=4 8782 B11R0.304 COCC(C)(C)COCCCF 62b9ebefff024cf3b3dfa36d5d6e2ee1 [0,2,0,0,0,0|2,0,0]=4 8783 B11R0.304 COCC(C)(C)COCCCS 6a34c5b95b7ddb6056d993c21b7dfe5e [0,2,0,0,0,0|2,0,0]=4 8784 B11R0.304 COCC(C)(C)COCCSC 1553dda27ea0d5638d064d4480decf27 [0,2,0,0,0,0|2,0,0]=4 8785 B11R0.304 COCCOCC(C)(C)COC bf9b382bb6c3f51eb92761d779478f53 [0,2,0,0,0,0|2,0,0]=4 8786 B11R0.30 C/C(=C/COCCCC(C)C)/Cl aa219ca8e6df37bd673233213f3040d9 [0,2,0,0,0,0|0,0,2]=4 8787 B11R0.30 C/C(=C/COCCCC(C)C)/I 5d2e65fb0a20135bd309e865f3755f3c [0,2,0,0,0,0|0,0,2]=4 8788 B11R0.30 C/C(=C\COCCCC(C)C)/Cl 45f0cc1e9e0ac7f0d10cd0849a37bbf2 [0,2,0,0,0,0|0,0,2]=4 8789 B11R0.30 C=C(Br)CCOCCCC(C)C 1cd2f6cade84b4928ad1add6fe68e112 [0,2,0,0,0,0|0,0,2]=4 8790 B11R0.30 C=C(C)CCCNCCC(C)C 3460e9989e76d8ec28ca7f7087cc7f1b [0,2,0,0,0,0|1,0,1]=4 8791 B11R0.30 C=C(C)CCCNCCC(C)O 32bec6ae0f35b6923811bdaf1fce125e [0,2,0,0,0,0|1,0,1]=4 8792 B11R0.30 C=C(C)CCCNCC[C@@H](C)O e5071c108dbb56675711165aade816fe [0,2,0,0,0,0|1,0,1]=4 8793 B11R0.30 C=C(C)CCCNCC[C@H](C)O ce96cf78fa008c363474df3787aee175 [0,2,0,0,0,0|1,0,1]=4 8794 B11R0.30 C=C(C)CCCOCCC(=C)C 95d946250259ecf9dfd3922b2dec5212 [0,2,0,0,0,0|0,0,2]=4 8795 B11R0.30 C=C(C)CCCOCCC(=O)C 0abda35b2e3f9d496c584b42d6ea7718 [0,2,0,0,0,0|0,0,2]=4 8796 B11R0.30 C=C(C)CCCOCCC(C)C ffdfbc30f09d0ffbc6d506519c2e6c35 [0,2,0,0,0,0|0,0,1]=3 8797 B11R0.30 C=C(C)CCCOCCC(F)F 555e7d529257e1c2d6284f9a8b3ed0e9 [0,2,0,0,0,0|1,0,1]=4 8798 B11R0.30 C=C(C)CCCOCCN(C)C 67635bfcd3f251e29aabcece40951c41 [0,2,0,0,0,0|1,0,1]=4 8799 B11R0.30 C=C(C)CCCOCCS(=O)C b2f86cdae0c90f329eee5f30e0ed1b11 [0,2,0,0,0,0|1,0,1]=4 8800 B11R0.30 C=C(C)CCCOCOC(C)C 84db7beaafed1f59e2104f4da088deba [0,2,0,0,0,0|1,0,1]=4 8801 B11R0.30 C=C(C)CCNCCCC(C)C 9efead5e69687021b8ef0f6110cda1e2 [0,2,0,0,0,0|1,0,1]=4 8802 B11R0.30 C=C(C)CCNCCCC(C)O 8309aa5f3c6e80eb9e68453865f58e9f [0,2,0,0,0,0|1,0,1]=4 8803 B11R0.30 C=C(C)CCOCCCC(=O)C c857b7afecf58a12a51526b4b3ab25d1 [0,2,0,0,0,0|0,0,2]=4 8804 B11R0.30 C=C(C)CCOCCCC(C)C ab7033516b0d29d32effc9abbac20f57 [0,2,0,0,0,0|0,0,1]=3 8805 B11R0.30 C=C(C)CCOCCCN(C)C d888c4e62487c28b54009307c49addea [0,2,0,0,0,0|1,0,1]=4 8806 B11R0.30 C=C(C)CCOCCOC(C)C f1fc92952b66c04635e2d0a8dcffaadd [0,2,0,0,0,0|1,0,1]=4 8807 B11R0.30 C=C(C)CCOCCSC(C)C 412251bb40d00ffaeae0bb26089b3893 [0,2,0,0,0,0|1,0,1]=4 8808 B11R0.30 CC(=CCCOCCC(C)C)C 637f54fe9d5f3b3f3c856460ae8b80ae [0,2,0,0,0,0|0,0,2]=4 8809 B11R0.30 CC(=CCOCCCC(C)C)C 6b78d0c73ffb82c3448e488bfa62654e [0,2,0,0,0,0|0,0,2]=4 8810 B11R0.30 CC(=CCOCCCC(C)C)Cl 10b28bd16ea2a7f303053f5f2c94c4eb [0,2,0,0,0,0|0,0,2]=4 8811 B11R0.30 CC(=CCOCCCC(C)C)I c6a0b4039272c106f4797d3a16a2ff38 [0,2,0,0,0,0|0,0,2]=4 8812 B11R0.30 CC(=O)CCCNCCC(C)C 6c5866f61f9b5537e5ad109ebe65ed57 [0,2,0,0,0,0|1,0,1]=4 8813 B11R0.30 CC(=O)CCCNCCC(C)O e90fa3f64f3d5ab2f15000bb5aca15e9 [0,2,0,0,0,0|1,0,1]=4 8814 B11R0.30 CC(=O)CCCNCC[C@@H](C)O 01845a444019ef69b56595bff259c90d [0,2,0,0,0,0|1,0,1]=4 8815 B11R0.30 CC(=O)CCCNCC[C@H](C)O dbf4bbd732f1f0f607a0fcba58e3d450 [0,2,0,0,0,0|1,0,1]=4 8816 B11R0.30 CC(=O)CCCOCCC(=O)C fb7953897dd67c2393ce65b2f64030e2 [0,2,0,0,0,0|0,0,2]=4 8817 B11R0.30 CC(=O)CCCOCCC(C)C ec869dd280510c00f1aed0572d475c1d [0,2,0,0,0,0|0,0,1]=3 8818 B11R0.30 CC(=O)CCCOCCC(F)F 0c787e9e73d986ceac16edf16e19732d [0,2,0,0,0,0|1,0,1]=4 8819 B11R0.30 CC(=O)CCCOCCN(C)C fd7393a12ae637e8206b4e3e4ed16923 [0,2,0,0,0,0|1,0,1]=4 8820 B11R0.30 CC(=O)CCCOCCS(=O)C 544801bf4e5223b4ae6f53ac6656de9b [0,2,0,0,0,0|1,0,1]=4 8821 B11R0.30 CC(=O)CCCOCOC(C)C d09db329a1dba9f19f79ec891be2f461 [0,2,0,0,0,0|1,0,1]=4 8822 B11R0.30 CC(=O)CCNCCCC(C)C ebc7fcb5de4dacc7e32ec9d237cbf140 [0,2,0,0,0,0|1,0,1]=4 8823 B11R0.30 CC(=O)CCOCCCC(C)C b939bcd8111992cefd519ecf222ca090 [0,2,0,0,0,0|0,0,1]=3 8824 B11R0.30 CC(=O)CCOCCCN(C)C 826017caa291ad730b947e40abb2113c [0,2,0,0,0,0|1,0,1]=4 8825 B11R0.30 CC(=O)CCOCCOC(C)C 3e28b2b76a3992406ec7af7a5570308e [0,2,0,0,0,0|1,0,1]=4 8826 B11R0.30 CC(=O)CCOCCSC(C)C 5fcb3dbb3021cfff4c1571f660acda4f [0,2,0,0,0,0|1,0,1]=4 8827 B11R0.30 CC(=O)NCCOCCC(C)C de895213db424c020cbe40c2e5facfc9 [0,2,0,0,0,0|1,0,1]=4 8828 B11R0.30 CC(=O)NCOCCCC(C)C 5d2dcb991f2b2442efe5a7ffc04a214e [0,2,0,0,0,0|1,0,1]=4 8829 B11R0.30 CC(=O)OCCOCCC(C)C 49dcd969f82ad5f218ac0f543ee12ef4 [0,2,0,0,0,0|1,0,1]=4 8830 B11R0.30 CC(=O)OCOCCCC(C)C 3188d75745351c2aa29ef0b26c876c9c [0,2,0,0,0,0|1,0,1]=4 8831 B11R0.30 CC(=O)SCCOCCC(C)C 1538d690a5e5a26dc1e494b2e2f1ec01 [0,2,0,0,0,0|1,0,1]=4 8832 B11R0.30 CC(C)/C=C/COCCC(C)C 151c8cdd8d3cbe072bfe662c6076a478 [0,2,0,0,0,0|0,0,2]=4 8833 B11R0.30 CC(C)CCCCCNC(C)C b7b1a298cab758d747bbe0c53696f302 [0,2,0,0,0,0|2,0,0]=4 8834 B11R0.30 CC(C)CCCCCOC(C)C 425118966041ac589394828549332fb7 [0,2,0,0,0,0|2,0,0]=4 8835 B11R0.30 CC(C)CCCCNCC(C)C 1d82e90ff9343723cb46bdd9e0855f09 [0,2,0,0,0,0|2,0,0]=4 8836 B11R0.30 CC(C)CCCCNCC(C)O 8704d92212c706148a6e70765ac52f27 [0,2,0,0,0,0|2,0,0]=4 8837 B11R0.30 CC(C)CCCCNC[C@@H](C)O d86f6a0312c2db74e8cdf28d735df9a7 [0,2,0,0,0,0|2,0,0]=4 8838 B11R0.30 CC(C)CCCCNC[C@H](C)O cd13f188463ace4221966156ccd8f1b3 [0,2,0,0,0,0|2,0,0]=4 8839 B11R0.30 CC(C)CCCCOCC(C)C 245fb1e8de5b4b0467cd206b5450e32a [0,2,0,0,0,0|2,0,0]=4 8840 B11R0.30 CC(C)CCCCOCC(C)F 07cc36e14b4c2bcbfaaa7d0010e5da21 [0,2,0,0,0,0|2,0,0]=4 8841 B11R0.30 CC(C)CCCCOCC(C)S 8c5ee4c2ba87550561f8902e3631ce96 [0,2,0,0,0,0|2,0,0]=4 8842 B11R0.30 CC(C)CCCCOC[C@@H](C)F 7de9f9e260159ccbd08a1c793c4bba5a [0,2,0,0,0,0|2,0,0]=4 8843 B11R0.30 CC(C)CCCCOC[C@H](C)F 4ac156df28fd84110a0e9ddf8c669adf [0,2,0,0,0,0|2,0,0]=4 8844 B11R0.30 CC(C)CCCNCCC(C)C 5cb402533fb17620e8956bf1b5c42b1d [0,2,0,0,0,0|1,0,0]=3 8845 B11R0.30 CC(C)CCCNCCC(C)O ecc093cdabf5ae43744a20a1e9748641 [0,2,0,0,0,0|1,0,0]=3 8846 B11R0.30 CC(C)CCCNCCC(F)F fd7d0440a010de53d918cb62f48da3a0 [0,2,0,0,0,0|2,0,0]=4 8847 B11R0.30 CC(C)CCCNCCN(C)C 0e4521fd7aa4777556120011dfcd373b [0,2,0,0,0,0|2,0,0]=4 8848 B11R0.30 CC(C)CCCNCCS(=O)C c8c94d82b4424d88b4521e6f6d32cfd8 [0,2,0,0,0,0|2,0,0]=4 8849 B11R0.30 CC(C)CCCNCC[C@@H](C)O 261155fbbc30b03a09a5be2dd72e330b [0,2,0,0,0,0|1,0,0]=3 8850 B11R0.30 CC(C)CCCNCC[C@H](C)O e3b6b361add023cc7c0122c58b609b08 [0,2,0,0,0,0|1,0,0]=3 8851 B11R0.30 CC(C)CCCNCOC(C)C 6619e317b906718f8515093808edc598 [0,2,0,0,0,0|2,0,0]=4 8852 B11R0.30 CC(C)CCCOCCC(=O)N 4a38c871264ea818f4a2d88445342696 [0,2,0,0,0,0|1,0,1]=4 8853 B11R0.30 CC(C)CCCOCCC(=O)O 045ec022986b652ea5c7631767d6500a [0,2,0,0,0,0|1,0,1]=4 8854 B11R0.30 CC(C)CCCOCCC(C)C fd0daf3059f98c552e865915453b18b2 [0,2,0,0,0,0|0,0,0]=2 8855 B11R0.30 CC(C)CCCOCCC(F)F 066e89b00ee3c07747205af525da8005 [0,2,0,0,0,0|1,0,0]=3 8856 B11R0.30 CC(C)CCCOCCN(C)C 9218f2aa35bcad0ebf8acee5b7c3c9f6 [0,2,0,0,0,0|1,0,0]=3 8857 B11R0.30 CC(C)CCCOCCS(=O)C e3eb8a1046001929ddd9a3b2ea760e99 [0,2,0,0,0,0|1,0,0]=3 8858 B11R0.30 CC(C)CCCOCC[N+](=O)[O-] d0ccd052e60c12d2105d46b141703818 [0,2,0,0,0,0|2,0,0]=4 8859 B11R0.30 CC(C)CCCOCOC(C)C bf025805a542a303bc5d2219aaaaa5e6 [0,2,0,0,0,0|1,0,0]=3 8860 B11R0.30 CC(C)CCNCCCC(C)O d655fe544ce63ff0dd9ad63903cf045c [0,2,0,0,0,0|1,0,0]=3 8861 B11R0.30 CC(C)CCNCCCN(C)C 4b04d8025817f368c181e7af5861032b [0,2,0,0,0,0|2,0,0]=4 8862 B11R0.30 CC(C)CCNCCCS(=O)C d1e49ccaa102767708cb6e15467dddbe [0,2,0,0,0,0|2,0,0]=4 8863 B11R0.30 CC(C)CCNCCOC(C)C 6d7fd00045bf50ed22acb0b52425a6e6 [0,2,0,0,0,0|2,0,0]=4 8864 B11R0.30 CC(C)CCNCCSC(C)C 2fff9ae121711a191c81a8414eabdb77 [0,2,0,0,0,0|2,0,0]=4 8865 B11R0.30 CC(C)CCOCCCC(=O)N b793772c46250531664b28a72c08195d [0,2,0,0,0,0|1,0,1]=4 8866 B11R0.30 CC(C)CCOCCCN(C)C e588d859d4025853c72fc9ee62c6aa50 [0,2,0,0,0,0|1,0,0]=3 8867 B11R0.30 CC(C)CCOCCC[N+](=O)[O-] 355afc05070353f86395900e7e880c79 [0,2,0,0,0,0|2,0,0]=4 8868 B11R0.30 CC(C)CCOCCOC(C)C 2531ab56e56449166129fd6edb94c7de [0,2,0,0,0,0|1,0,0]=3 8869 B11R0.30 CC(C)CCOCCOC(F)F 95b054ec4efa508859062bf848a88a44 [0,2,0,0,0,0|2,0,0]=4 8870 B11R0.30 CC(C)CCOCCSC(C)C e4210f02baaf7bc9be12877bcafc403c [0,2,0,0,0,0|1,0,0]=3 8871 B11R0.30 CC(C)CNCCCCC(C)O 01b37128c8ccbbd7756317e16f6e7b60 [0,2,0,0,0,0|2,0,0]=4 8872 B11R0.30 CC(C)CNCCCC[C@@H](C)O de13a5d1554e89a41f7d32444d288b81 [0,2,0,0,0,0|2,0,0]=4 8873 B11R0.30 CC(C)NCCOCCN(C)C 8a4d833e8b96425b040d35aa72b4fb85 [0,2,0,0,0,0|2,0,0]=4 8874 B11R0.30 CC(C)OCCNCC[C@@H](C)O 796874fdcdaa0b0941f74d6c73613532 [0,2,0,0,0,0|2,0,0]=4 8875 B11R0.30 CC(C)OCCNCC[C@H](C)O 1ad6c9e3d0209da58e13c632dc9a933a [0,2,0,0,0,0|2,0,0]=4 8876 B11R0.30 CC(C)OCCOCCC(F)F 515fe78b4549266a4a925df7f551b528 [0,2,0,0,0,0|2,0,0]=4 8877 B11R0.30 CC(C)OCCOCCN(C)C 86b2ae9e1532495e8a6b332b44f06912 [0,2,0,0,0,0|2,0,0]=4 8878 B11R0.30 CC(C)OCCOCCS(=O)C 19f7004487b67c6e9f9fe9d1cd41838d [0,2,0,0,0,0|2,0,0]=4 8879 B11R0.30 CC(C)OCCOCOC(C)C 6e802fb832d0b1c20287bdbc31f39ab0 [0,2,0,0,0,0|2,0,0]=4 8880 B11R0.30 CC(C)OCOCCCN(C)C 414a2d7df137b1fa03ab05fe763815ac [0,2,0,0,0,0|2,0,0]=4 8881 B11R0.30 CC(C)OCOCCSC(C)C 06962f96199050847cae620526a28d97 [0,2,0,0,0,0|2,0,0]=4 8882 B11R0.30 CC(C)SCCNCC[C@@H](C)O 2a7e46e58aa0af48474ccec0a68e0862 [0,2,0,0,0,0|2,0,0]=4 8883 B11R0.30 CC(C)SCCNCC[C@H](C)O fc9b585a157848354d2507f9f744b3de [0,2,0,0,0,0|2,0,0]=4 8884 B11R0.30 CC(C)SCCOCCC(F)F 2295d2c1e68e47ddc2e9e7a7de0a9d3a [0,2,0,0,0,0|2,0,0]=4 8885 B11R0.30 CC(C)SCCOCCN(C)C db19b5c96046a337ce990618c7114282 [0,2,0,0,0,0|2,0,0]=4 8886 B11R0.30 CC(C)SCCOCCS(=O)C 008708ff7627868ee3910a9045495564 [0,2,0,0,0,0|2,0,0]=4 8887 B11R0.30 CC(O)CCCCNCC(C)O 67bff0d4b30261e0d539844b4f54d571 [0,2,0,0,0,0|2,0,0]=4 8888 B11R0.30 CC(O)CCCCNC[C@@H](C)O da3dd75a2f508f72cd24db5474965b17 [0,2,0,0,0,0|2,0,0]=4 8889 B11R0.30 CC(O)CCCCNC[C@H](C)O 79286928e9dc096f182620790310dec5 [0,2,0,0,0,0|2,0,0]=4 8890 B11R0.30 CC(O)CCCNCCC(C)O db1ef15e6d02a6c884085ac2fd3e6271 [0,2,0,0,0,0|1,0,0]=3 8891 B11R0.30 CC(O)CCCNCCC(F)F 5c90973151305ea7f594c557e07961b2 [0,2,0,0,0,0|2,0,0]=4 8892 B11R0.30 CC(O)CCCNCCN(C)C 0967f56897d29fece4e95fb0c004068b [0,2,0,0,0,0|2,0,0]=4 8893 B11R0.30 CC(O)CCCNCCS(=O)C cfd9c7ff56403d1b904574dcd13a86bb [0,2,0,0,0,0|2,0,0]=4 8894 B11R0.30 CC(O)CCCNCC[C@@H](C)O 06c2bfbee420c4bd595eae0214c32656 [0,2,0,0,0,0|1,0,0]=3 8895 B11R0.30 CC(O)CCCNCC[C@H](C)O 4672dd060037f322786910438f75ab6e [0,2,0,0,0,0|1,0,0]=3 8896 B11R0.30 CC(O)CCNCCCN(C)C e8f55c5a5dd467b938c3ca9f0fd9af6d [0,2,0,0,0,0|2,0,0]=4 8897 B11R0.30 CC(O)CCNCCCS(=O)C f30c0722c43d0018e704385205f182c5 [0,2,0,0,0,0|2,0,0]=4 8898 B11R0.30 CC(O)CCNCCOC(C)C 330d1ecfefa7031b446ff6d3924a6214 [0,2,0,0,0,0|2,0,0]=4 8899 B11R0.30 CC(O)CCNCCSC(C)C 331bd9452ea8cfc6f94a8fde138afd90 [0,2,0,0,0,0|2,0,0]=4 8900 B11R0.30 CC(O)CNCCCC[C@@H](C)O 1780eca4125236a6324f9c4dee4d3683 [0,2,0,0,0,0|2,0,0]=4 8901 B11R0.30 CN(C)CCCOCCC(F)F 7113d8f2ad10c404551b7c9689a9a66b [0,2,0,0,0,0|2,0,0]=4 8902 B11R0.30 CN(C)CCCOCCN(C)C 61a2c7718ef6c5bf4b7c43274d5f841a [0,2,0,0,0,0|2,0,0]=4 8903 B11R0.30 CN(C)CCCOCCS(=O)C bf88c122b6f1e4a2bc8dfb44d28fc06a [0,2,0,0,0,0|2,0,0]=4 8904 B11R0.30 C[C@@H](O)CCCCNC[C@@H](C)O fb1f7d4a43501f7330a34f8ea0469478 [0,2,0,0,0,0|2,0,0]=4 8905 B11R0.30 C[C@@H](O)CCNCCCN(C)C f2c756f850345b0d72f15448cc1b2a60 [0,2,0,0,0,0|2,0,0]=4 8906 B11R0.30 C[C@H](O)CCNCCCN(C)C b10b9acefa506c03f6a397146be647d8 [0,2,0,0,0,0|2,0,0]=4 8907 B11R0.30 C[C@H](O)CNCCCC[C@@H](C)O 72956bd0f529f7f3fb3c418f7c197d5a [0,2,0,0,0,0|2,0,0]=4 8908 B11R0.40 C#C/C(=C/COCCCCC)/C a6a46a6206999299c5921a429eacc7c1 [0,2,0,0,0,0|0,0,2]=4 8909 B11R0.40 C#C/C(=C\COCCCCC)/C e1589f67929053b6908349f0bb7d7f6f [0,2,0,0,0,0|0,0,2]=4 8910 B11R0.40 C#CC(C)NCCCCCCC 10f09b24e3ab090e50b402030cdd32fa [0,2,0,0,0,0|2,0,0]=4 8911 B11R0.40 C#CC(C)NCCOCCCC 87d9cae2844fc800ded952b10cf65f81 [0,2,0,0,0,0|1,0,0]=3 8912 B11R0.40 C#CC(C)NCCOCCCO a35545f44330b4dea8b32c14fe2f33ff [0,2,0,0,0,0|2,0,0]=4 8913 B11R0.40 C#CC(C)NCCOCCOC 67995f5634d70927904c60fbd7111f06 [0,2,0,0,0,0|2,0,0]=4 8914 B11R0.40 C#CC(C)OCCCCCCC 4d15747cbb7eacc54ea8b8fbd7fc3ecd [0,2,0,0,0,0|2,0,0]=4 8915 B11R0.40 C#CC(C)OCCOCCCC a63633cdefd05f66e1348274c1bd5724 [0,2,0,0,0,0|1,0,0]=3 8916 B11R0.40 C#CC(C)OCCOCCOC a77f4f23f7fc04d4f65e87b466f2c8d1 [0,2,0,0,0,0|2,0,0]=4 8917 B11R0.40 C#CC(C)OCCSCCCC 6e3aef14ffb244e4b9aec1ae1c87aae6 [0,2,0,0,0,0|1,1,0]=4 8918 B11R0.40 C#CCCCCNCC(C)CC ace904418c61fa983e5323e3b4089099 [0,2,0,0,0,0|1,0,1]=4 8919 B11R0.40 C#CCCCCNCC(O)CC 52bb108698008b2ab16fd52d86fae6db [0,2,0,0,0,0|1,0,1]=4 8920 B11R0.40 C#CCCCCNC[C@@H](C)CC faad86527fa01f32e4a51c762bdaf40b [0,2,0,0,0,0|1,0,1]=4 8921 B11R0.40 C#CCCCCNC[C@H](C)CC 635fb0c0fb4e4579bbc948e229decc62 [0,2,0,0,0,0|1,0,1]=4 8922 B11R0.40 C#CCCCCNC[C@H](O)CC de01df828e41cdbacb1863d79c61e884 [0,2,0,0,0,0|1,0,1]=4 8923 B11R0.40 C#CCCCCOCC(=C)CC 9fdc8318dad0b1bd831a6b68148c6aa9 [0,2,0,0,0,0|0,0,2]=4 8924 B11R0.40 C#CCCCCOCC(=O)CC 8d57b8360839278d2bab65faa292c4a6 [0,2,0,0,0,0|0,0,2]=4 8925 B11R0.40 C#CCCCCOCC(Br)CBr bb3161728918a9734ab6d3028c7f8087 [0,2,0,0,0,0|1,0,1]=4 8926 B11R0.40 C#CCCCCOCC(C)CC af2b25ddbf6bda5fd2d8d28a48a20be5 [0,2,0,0,0,0|0,0,1]=3 8927 B11R0.40 C#CCCCCOCC(C)OC b6887687f6d643f707428924b76709fa [0,2,0,0,0,0|1,0,1]=4 8928 B11R0.40 C#CCCCCOCC(Cl)CCl f4e4fe523f5e9b92b9aacda88bee4be2 [0,2,0,0,0,0|1,0,1]=4 8929 B11R0.40 C#CCCCCOCC(O)CO d77b6f7c9ab8b8ce7a64a94e716b7443 [0,2,0,0,0,0|1,0,1]=4 8930 B11R0.40 C#CCCCCOCC(S)CS 455fd793903b7c4d14c13e6ffdde3a66 [0,2,0,0,0,0|1,0,1]=4 8931 B11R0.40 C#CCCCCOC[C@@H](C)CC 29dbe5b78dde10e1cf6319eb0667db6c [0,2,0,0,0,0|0,0,1]=3 8932 B11R0.40 C#CCCCCOC[C@@H](C)OC cd338ba82b66eb5aef7630abceaec54c [0,2,0,0,0,0|1,0,1]=4 8933 B11R0.40 C#CCCCCOC[C@@H](O)CO e5220ab3d294404d2c2d3e58cd7d949b [0,2,0,0,0,0|1,0,1]=4 8934 B11R0.40 C#CCCCCOC[C@H](C)CC 08e8f23b77a3f0f38031c2320b564768 [0,2,0,0,0,0|0,0,1]=3 8935 B11R0.40 C#CCCCCOC[C@H](C)OC a0ba0eaa420e4342d46758a7a4ab7f33 [0,2,0,0,0,0|1,0,1]=4 8936 B11R0.40 C#CCCCCOC[C@H](O)CO 07239dd3f6d28620a3e225e8169a68b9 [0,2,0,0,0,0|1,0,1]=4 8937 B11R0.40 C#CCCCNCCC(C)CC c1fc407f2e7896df75e56c496194575f [0,2,0,0,0,0|1,0,1]=4 8938 B11R0.40 C#CCCCOCCC(C)CC b38f16fa827fe5f4113093dec4fccfa5 [0,2,0,0,0,0|0,0,1]=3 8939 B11R0.40 C#CCCCOCCC(C)OC 4547d3a92bf4435aab980e401e161a69 [0,2,0,0,0,0|0,0,2]=4 8940 B11R0.40 C#CCCCOCCC(S)CC ed0d414e91791756891a9e6dccf17147 [0,2,0,0,0,0|0,0,1]=3 8941 B11R0.40 C#CCCCOCCS(=O)CC fe1e4a71ab6d68b79516c52a1bb8999e [0,2,0,0,0,0|0,0,2]=4 8942 B11R0.40 C#CCCCOCC[C@@H](C)CC e3df77e09ce0af8f407703230e82325e [0,2,0,0,0,0|0,0,1]=3 8943 B11R0.40 C#CCCOCCCC(C)CC 8de07eb99ca2ed0cec1ceb321bc28bc2 [0,2,0,0,0,0|0,0,2]=4 8944 B11R0.40 C#CCCOCCCN(C)CC 8c1bed8753e554af554e6f741f7c1aea [0,2,0,0,0,0|0,0,2]=4 8945 B11R0.40 C#CCCOCCC[C@@H](C)CC 2255a28971026e92624f3dcd8b220bc1 [0,2,0,0,0,0|0,0,2]=4 8946 B11R0.40 C#CCOCCOCC(C)CC d7bceb178610e53c439ed125f9709baa [0,2,0,0,0,0|0,0,2]=4 8947 B11R0.40 C#CCOCCOC[C@@H](C)CC faff632f819b678492b6a05bf8f09bd3 [0,2,0,0,0,0|0,0,2]=4 8948 B11R0.40 C#CCOCCOC[C@H](C)CC 9ce64aa53b13001358185c8d22a29fa5 [0,2,0,0,0,0|0,0,2]=4 8949 B11R0.40 C#C[C@@H](C)NCCCCCCC 7d9ee7bf551cfb17ba945e8c66ca181c [0,2,0,0,0,0|2,0,0]=4 8950 B11R0.40 C#C[C@@H](C)NCCOCCCC f83ddbbae9466349e59bd4726cbd1bf8 [0,2,0,0,0,0|1,0,0]=3 8951 B11R0.40 C#C[C@@H](C)NCCOCCOC 3bc4db2949d73f2549244f19fef67fc6 [0,2,0,0,0,0|2,0,0]=4 8952 B11R0.40 C#C[C@@H](C)OCCCCCCC c291c25c0791a6521d9c370522c7d624 [0,2,0,0,0,0|2,0,0]=4 8953 B11R0.40 C#C[C@@H](C)OCCOCCCC f5ba73ddd7bb3299bbcffa74854f4f7c [0,2,0,0,0,0|1,0,0]=3 8954 B11R0.40 C#C[C@@H](C)OCCOCCOC 273486f39706bae2a815a007c8ceacbe [0,2,0,0,0,0|2,0,0]=4 8955 B11R0.40 C#C[C@H](C)NCCCCCCC fed1fb058c3f6d6930f35a774e094546 [0,2,0,0,0,0|2,0,0]=4 8956 B11R0.40 C#C[C@H](C)NCCOCCCC fd48dd2da1b9474ea3aa268c3e880eac [0,2,0,0,0,0|1,0,0]=3 8957 B11R0.40 C#C[C@H](C)NCCOCCOC a6404b22011338426827bb33cfe07b48 [0,2,0,0,0,0|2,0,0]=4 8958 B11R0.40 C#C[C@H](C)OCCCCCCC cf1e47bbf033ff83689373d9aa4a2bdf [0,2,0,0,0,0|2,0,0]=4 8959 B11R0.40 C#C[C@H](C)OCCOCCCC 0ffbaa4e1354858ac17e11c7894d33a8 [0,2,0,0,0,0|1,0,0]=3 8960 B11R0.40 C#C[C@H](C)OCCOCCOC 4af5a0fdf3f44fff0bddfbf262733d84 [0,2,0,0,0,0|2,0,0]=4 8961 B11R0.40 C/C=C/CCCOCC(=O)CC b8417a010e59d148e4d11d1ff225777e [0,2,0,0,0,0|0,0,2]=4 8962 B11R0.40 C/C=C/CCCOCC(C)CC 13182151a3faf3f557d3ca3ec8f4fb16 [0,2,0,0,0,0|0,0,1]=3 8963 B11R0.40 C/C=C/CCCOCC(C)OC dfc43728240abf4df5551c41158420f5 [0,2,0,0,0,0|1,0,1]=4 8964 B11R0.40 C/C=C/CCCOCC(O)CO 6ee21dcfad7501cf2b945fcd7f0de742 [0,2,0,0,0,0|1,0,1]=4 8965 B11R0.40 C/C=C/CCCOC[C@@H](C)CC 1b35af0ec8367c21a00139983725555b [0,2,0,0,0,0|0,0,1]=3 8966 B11R0.40 C/C=C/CCCOC[C@@H](C)OC 8801b9ae661e5882c4b5cd7c61c1a222 [0,2,0,0,0,0|1,0,1]=4 8967 B11R0.40 C/C=C/CCCOC[C@@H](O)CO 1f7e21dfa34e4e5e7d4d27eae239d972 [0,2,0,0,0,0|1,0,1]=4 8968 B11R0.40 C/C=C/CCCOC[C@H](C)CC ad2e68a8044d23c93f45c0c7e2762083 [0,2,0,0,0,0|0,0,1]=3 8969 B11R0.40 C/C=C/CCCOC[C@H](C)OC eb889a3530f52abda55c1129f7a63a04 [0,2,0,0,0,0|1,0,1]=4 8970 B11R0.40 C/C=C/CCCOC[C@H](O)CO 6a592b394a5a15b6ac5464874e412892 [0,2,0,0,0,0|1,0,1]=4 8971 B11R0.40 C/C=C/CCOCCC(C)CC a073088a9ebd9cdacbbd006671a4440d [0,2,0,0,0,0|0,0,1]=3 8972 B11R0.40 C/C=C/CCOCCS(=O)CC 2b1eeb00867e8806b0fb194a669e456e [0,2,0,0,0,0|0,0,2]=4 8973 B11R0.40 C/C=C/COCCCC(C)CC ee37d6ad913219bd92975b1a8166e799 [0,2,0,0,0,0|0,0,2]=4 8974 B11R0.40 C/C=C/COCCCN(C)CC f66c796c76d3fca337c9004ed20ec245 [0,2,0,0,0,0|0,0,2]=4 8975 B11R0.40 C/C=C/COCCC[C@@H](C)CC 250a29d25ee7c8ad5b83bb69f915b5d7 [0,2,0,0,0,0|0,0,2]=4 8976 B11R0.40 C/C=C\CCCNCC(C)CC c989f8ea37ef153d646cc4cda6a3beed [0,2,0,0,0,0|1,0,1]=4 8977 B11R0.40 C/C=C\CCCNCC(O)CC 558c4ee27c462d33544ee9900eb738ad [0,2,0,0,0,0|1,0,1]=4 8978 B11R0.40 C/C=C\CCCNC[C@@H](C)CC a4fb01628aaf72365530cbfe271e208c [0,2,0,0,0,0|1,0,1]=4 8979 B11R0.40 C/C=C\CCCNC[C@H](O)CC b31a37b88fd1c40af07b3ed52c24d855 [0,2,0,0,0,0|1,0,1]=4 8980 B11R0.40 C/C=C\CCCOCC(=O)CC 79b6e7959efb333df9c226e430731208 [0,2,0,0,0,0|0,0,2]=4 8981 B11R0.40 C/C=C\CCCOCC(Br)CBr 62e9886d308efa9ad272f5c2111f42be [0,2,0,0,0,0|1,0,1]=4 8982 B11R0.40 C/C=C\CCCOCC(C)CC 3e7be7defd56cbdd16e45144a074389c [0,2,0,0,0,0|0,0,1]=3 8983 B11R0.40 C/C=C\CCCOCC(C)OC 8b3d7a1179ee61c720c1271b29f98db8 [0,2,0,0,0,0|1,0,1]=4 8984 B11R0.40 C/C=C\CCCOCC(Cl)CCl 3d6ac030d0803c37edd96152d1ffb31c [0,2,0,0,0,0|1,0,1]=4 8985 B11R0.40 C/C=C\CCCOCC(O)CO b2b2b4dad75b74f6854c6390924e394f [0,2,0,0,0,0|1,0,1]=4 8986 B11R0.40 C/C=C\CCCOCC(S)CS 2ec6aed2e37d0df59361b5fbf1e6f393 [0,2,0,0,0,0|1,0,1]=4 8987 B11R0.40 C/C=C\CCCOC[C@@H](C)CC 6711cf084fc76c40894150aa57cb9802 [0,2,0,0,0,0|0,0,1]=3 8988 B11R0.40 C/C=C\CCCOC[C@@H](C)OC 1d1b8af537befaba891a660c278fe58e [0,2,0,0,0,0|1,0,1]=4 8989 B11R0.40 C/C=C\CCCOC[C@@H](O)CO 1337c493ba11dea3fa55cb3a61627d3e [0,2,0,0,0,0|1,0,1]=4 8990 B11R0.40 C/C=C\CCCOC[C@H](C)CC c73e9cb41ce216ddbe6ee8b93394e327 [0,2,0,0,0,0|0,0,1]=3 8991 B11R0.40 C/C=C\CCCOC[C@H](C)OC 16729bbe3f8b788831df2dad3088a4a0 [0,2,0,0,0,0|1,0,1]=4 8992 B11R0.40 C/C=C\CCCOC[C@H](O)CO 8fc08666ead010fe4588d32298e9dc25 [0,2,0,0,0,0|1,0,1]=4 8993 B11R0.40 C/C=C\COCCCC(C)CC eef689e089165c6415203ef9733ddbda [0,2,0,0,0,0|0,0,2]=4 8994 B11R0.40 C/C=C\COCCCN(C)CC 743899b62baf6450c9e46834ec54c0ab [0,2,0,0,0,0|0,0,2]=4 8995 B11R0.40 C/C=C\COCCC[C@@H](C)CC 367baf045deafbfbfa3782232eb94a06 [0,2,0,0,0,0|0,0,2]=4 8996 B11R0.40 C=C(CC)CNCCCCCC 5673d4e4fc129c4bc12fcdeb75eab606 [0,2,0,0,0,0|1,0,1]=4 8997 B11R0.40 C=C(CC)CNCCCCCCl cb1ea8942a9979ef1c09cf06dfd16e0b [0,2,0,0,0,0|1,0,1]=4 8998 B11R0.40 C=C(CC)CNCCCCCO 815b582a1ea24efe6d5a9c772fe2a8f4 [0,2,0,0,0,0|1,0,1]=4 8999 B11R0.40 C=C(CC)CNCCCCOC d066e05512dc6872922f7dff6bb07ecd [0,2,0,0,0,0|1,0,1]=4 9000 B11R0.40 C=C(CC)CNCCCCSC 635256746d752442e3a7917e34b64b63 [0,2,0,0,0,0|1,0,1]=4 9001 B11R0.40 C=C(CC)CNCCCOCC 6450a60a93752f43083ef9f90c665c20 [0,2,0,0,0,0|1,0,1]=4 9002 B11R0.40 C=C(CC)CNCCOCCC 8c5995205687decdd9c6b44c44bec432 [0,2,0,0,0,0|1,0,1]=4 9003 B11R0.40 C=C(CC)COC/C=C/CCC 068f24330d558129042bb25d3004a5d1 [0,2,0,0,0,0|0,0,2]=4 9004 B11R0.40 C=C(CC)COC/C=C\CCC d155a0a178470158392e9a72066778a9 [0,2,0,0,0,0|0,0,2]=4 9005 B11R0.40 C=C(CC)COCC#CCCC 39c8a54378027b916e7b097bea1db734 [0,2,0,0,0,0|0,0,2]=4 9006 B11R0.40 C=C(CC)COCC/C=C/CC af27fe86ee193e68613a59926e431592 [0,2,0,0,0,0|0,0,2]=4 9007 B11R0.40 C=C(CC)COCC/C=C\CC 08b27437140fb8c6693e3a7f24cd18e1 [0,2,0,0,0,0|0,0,2]=4 9008 B11R0.40 C=C(CC)COCCC#CCC 9b74be2be42d6c43b985c28cadbbf341 [0,2,0,0,0,0|0,0,2]=4 9009 B11R0.40 C=C(CC)COCCC/C=C/C 919263df40b7dbaed5d9432df431bf08 [0,2,0,0,0,0|0,0,2]=4 9010 B11R0.40 C=C(CC)COCCC/C=C\C bfdbde9e5b6d11831637fc0353bc2aaa [0,2,0,0,0,0|0,0,2]=4 9011 B11R0.40 C=C(CC)COCCCC#CC e9166e77e5a0443e0ba02892a3526255 [0,2,0,0,0,0|0,0,2]=4 9012 B11R0.40 C=C(CC)COCCCC=CC fc08ba7e8281500e864347638c37d9a4 [0,2,0,0,0,0|0,0,2]=4 9013 B11R0.40 C=C(CC)COCCCCC#N 0e3d0b90011f65b25751bd4e83f95442 [0,2,0,0,0,0|0,0,2]=4 9014 B11R0.40 C=C(CC)COCCCCC=O e59021f26d7578b5aa1154fcb3ca03d8 [0,2,0,0,0,0|0,0,2]=4 9015 B11R0.40 C=C(CC)COCCCCCC 212d40314ce0351be00200277ccfea95 [0,2,0,0,0,0|0,0,1]=3 9016 B11R0.40 C=C(CC)COCCCCOC bd6e720f11f7a2ba2c38d023e90228a2 [0,2,0,0,0,0|0,0,1]=3 9017 B11R0.40 C=C(CC)COCCCCSC 856bea78fb7fd1522136334c8c8be0ea [0,2,0,0,0,0|0,0,1]=3 9018 B11R0.40 C=C(CC)COCCCOCC b8e4f80c883f18e82d6d664f988c3fe5 [0,2,0,0,0,0|0,0,1]=3 9019 B11R0.40 C=C(CC)COCCCSCC 222cabd42ba743aa11c9ab9a0abba2f2 [0,2,0,0,0,0|0,0,1]=3 9020 B11R0.40 C=C(CC)COCCOCCC 9f1dc0066bb832519e15e6cdedd618ca [0,2,0,0,0,0|0,0,1]=3 9021 B11R0.40 C=C(CC)COCCOCCF 2a181a2aec74cc96d1dc713c0e88940a [0,2,0,0,0,0|1,0,1]=4 9022 B11R0.40 C=C(CC)COCCOCCS ad069970e9705a622dd52c99d20ae373 [0,2,0,0,0,0|1,0,1]=4 9023 B11R0.40 C=C(CC)COCCSCCC b878f859e07ea9e49f889f5f8c8b8cdc [0,2,0,0,0,0|0,0,1]=3 9024 B11R0.40 C=C(COCCCCCC)OC 0b95e642e1e4df81a1841fb1104211cb [0,2,0,0,0,0|1,0,1]=4 9025 B11R0.40 C=C(COCCCCOC)OC 229fe40cd31f1015d5a2c69993efdd02 [0,2,0,0,0,0|1,0,1]=4 9026 B11R0.40 C=C(COCCCCSC)OC 6d188d3c5a4e9dd4927e04f86c2c486e [0,2,0,0,0,0|1,0,1]=4 9027 B11R0.40 C=C(COCCCOCC)OC 6e4ad9478e650943c7322831ea8c3687 [0,2,0,0,0,0|1,0,1]=4 9028 B11R0.40 C=C(COCCCSCC)OC 4b7a9928bb796166643448fad9fd8026 [0,2,0,0,0,0|1,0,1]=4 9029 B11R0.40 C=C(COCCOCCC)OC e9e22309f5066dadc128b2745a271c60 [0,2,0,0,0,0|1,0,1]=4 9030 B11R0.40 C=C(COCCSCCC)OC af434454cf98382d87af6d9aa02d4d21 [0,2,0,0,0,0|1,0,1]=4 9031 B11R0.40 C=C=CCCOCCC(C)CC ee40aeea0cccced6aa63cc854fc8f85e [0,2,0,0,0,0|0,0,2]=4 9032 B11R0.40 C=CC(=O)CCCOCCCC 47940038721735bb278c8d355b063009 [0,2,0,0,0,0|0,0,2]=4 9033 B11R0.40 C=CC(C)COCCCCCC e8c550ade22d676da357de4f629df640 [0,2,0,0,0,0|0,0,2]=4 9034 B11R0.40 C=CC(C)COCCCCCF a27e4febe6bf810d26f139f7efc17de0 [0,2,0,0,0,0|0,0,2]=4 9035 B11R0.40 C=CC(C)COCCCCOC bbe339dc77d5a163da261ff18bd20d8a [0,2,0,0,0,0|0,0,2]=4 9036 B11R0.40 C=CC(C)COCCCOCC 7646791da8ea6cb9698fca2480ea0831 [0,2,0,0,0,0|0,0,2]=4 9037 B11R0.40 C=CC(C)COCCCSCC 6ac09e18dd1a3ec2cb1e5ff6f33bd77f [0,2,0,0,0,0|0,0,2]=4 9038 B11R0.40 C=CC(C)COCCOCCC 5ae51865909819cf4bdd4bc19852d6c6 [0,2,0,0,0,0|0,0,2]=4 9039 B11R0.40 C=CC(C)COCOCCCC 6caa67e1b94206e82a5a4f95283761e9 [0,2,0,0,0,0|1,0,0]=3 9040 B11R0.40 C=CC(C)COCOCCOC 549c425a297de63df59bc028d4380c01 [0,2,0,0,0,0|2,0,0]=4 9041 B11R0.40 C=CC(C)NCCCCCCC 63a13bfaf1c25ce77bd5f05cf9652fdf [0,2,0,0,0,0|2,0,0]=4 9042 B11R0.40 C=CC(C)NCCOCCCC 06f7111da574bd2c80dc8e9a34ad3928 [0,2,0,0,0,0|1,0,0]=3 9043 B11R0.40 C=CC(C)NCCOCCCO 269cb02eac48d3fc7f6d062213fd1b29 [0,2,0,0,0,0|2,0,0]=4 9044 B11R0.40 C=CC(C)NCCOCCOC 1ffca94d04a50c1e32a6f9b7477029b7 [0,2,0,0,0,0|2,0,0]=4 9045 B11R0.40 C=CC(C)OCCCCCCC b0311bf4ebfcfc8b0e48448f7ef9ab9b [0,2,0,0,0,0|2,0,0]=4 9046 B11R0.40 C=CC(C)OCCOCCCC e332afc67c3638aaa5003ba2dd3aad78 [0,2,0,0,0,0|1,0,0]=3 9047 B11R0.40 C=CC(C)OCCOCCOC 854e4aabf4f627170fafb9e954b344eb [0,2,0,0,0,0|2,0,0]=4 9048 B11R0.40 C=CC(C)OCCSCCCC 560a6f45a0a4692ed39e9048217aaefe [0,2,0,0,0,0|1,1,0]=4 9049 B11R0.40 C=CC(O)CNCOCCCC 567d3b92c8b0c866efcf966a70bad4c5 [0,2,0,0,0,0|0,0,2]=4 9050 B11R0.40 C=CCCCCNCC(C)CC b2bbadac27c5f94cf55306056b505be6 [0,2,0,0,0,0|1,0,1]=4 9051 B11R0.40 C=CCCCCNCC(O)CC 251506f5c2f9d8ec9498a6b34a3159fb [0,2,0,0,0,0|1,0,1]=4 9052 B11R0.40 C=CCCCCNC[C@@H](C)CC 8d62e43062a751aaa235f68011098e6d [0,2,0,0,0,0|1,0,1]=4 9053 B11R0.40 C=CCCCCNC[C@H](C)CC 01c666fc5bbecb6451af4baf95a6c94c [0,2,0,0,0,0|1,0,1]=4 9054 B11R0.40 C=CCCCCNC[C@H](O)CC a0a307f20b04d4c6d581932a717fc76b [0,2,0,0,0,0|1,0,1]=4 9055 B11R0.40 C=CCCCCOCC(=C)CC 6d502486b06d2fc314ec7fb92b4302fe [0,2,0,0,0,0|0,0,2]=4 9056 B11R0.40 C=CCCCCOCC(=O)CC 23552c039cd37fdf08ab0585dd01cccb [0,2,0,0,0,0|0,0,2]=4 9057 B11R0.40 C=CCCCCOCC(Br)CBr 7b370216345c04085ac210c95b0a3707 [0,2,0,0,0,0|1,0,1]=4 9058 B11R0.40 C=CCCCCOCC(C)CC 3a4f239d635ad7d54b567464ab3f48fe [0,2,0,0,0,0|0,0,1]=3 9059 B11R0.40 C=CCCCCOCC(C)OC c8e92689186890dcbab909143bc2eff6 [0,2,0,0,0,0|1,0,1]=4 9060 B11R0.40 C=CCCCCOCC(Cl)CCl ca016f7900a31c05b34b540c1e3acf7e [0,2,0,0,0,0|1,0,1]=4 9061 B11R0.40 C=CCCCCOCC(O)CO 54760a5e91c77fa5e9b032517aa24927 [0,2,0,0,0,0|1,0,1]=4 9062 B11R0.40 C=CCCCCOCC(S)CS 9c2f1ff497eec8e5d7747b4b4790ae33 [0,2,0,0,0,0|1,0,1]=4 9063 B11R0.40 C=CCCCCOC[C@@H](C)CC d1dd95c5f0e75e58003cdd5ee7c6f645 [0,2,0,0,0,0|0,0,1]=3 9064 B11R0.40 C=CCCCCOC[C@@H](C)OC caf4c64eac5f39f5ae7859f5e7fdb7ae [0,2,0,0,0,0|1,0,1]=4 9065 B11R0.40 C=CCCCCOC[C@@H](O)CO ed5d5ff6407e001f73910a51097977f2 [0,2,0,0,0,0|1,0,1]=4 9066 B11R0.40 C=CCCCCOC[C@H](C)CC b146cb6d039251ca25559f2129196613 [0,2,0,0,0,0|0,0,1]=3 9067 B11R0.40 C=CCCCCOC[C@H](C)OC ea4299a1a9f01df917a822f468baae1b [0,2,0,0,0,0|1,0,1]=4 9068 B11R0.40 C=CCCCCOC[C@H](O)CO 7833789b1f41297ae9f995e5f58277b1 [0,2,0,0,0,0|1,0,1]=4 9069 B11R0.40 C=CCCCNCCC(C)CC 772278d65306f017faf63d6e5e7fe68f [0,2,0,0,0,0|1,0,1]=4 9070 B11R0.40 C=CCCCOCCC(C)CC 8a3047ae641393ddd30985321c7b46cd [0,2,0,0,0,0|0,0,1]=3 9071 B11R0.40 C=CCCCOCCC(C)OC a0c0e5010d771dc8991fc7a5481554d2 [0,2,0,0,0,0|0,0,2]=4 9072 B11R0.40 C=CCCCOCCC(S)CC dc324dacf26cd31f07052b6ca85fdbce [0,2,0,0,0,0|0,0,1]=3 9073 B11R0.40 C=CCCCOCCS(=O)CC 9fde75f3855b79dc7738f565178391ec [0,2,0,0,0,0|0,0,2]=4 9074 B11R0.40 C=CCCCOCC[C@@H](C)CC 643ab75dfe2f96c5fc7cf2aafd3360f9 [0,2,0,0,0,0|0,0,1]=3 9075 B11R0.40 C=CCCOCCCC(C)CC 137589a36812438df44bbe68fa3a5e63 [0,2,0,0,0,0|0,0,2]=4 9076 B11R0.40 C=CCCOCCCN(C)CC 9bbbd7fb160bab0b1553940cd8fc5de3 [0,2,0,0,0,0|0,0,2]=4 9077 B11R0.40 C=CCCOCCC[C@@H](C)CC 515afa5b4252f0dcf8e99ce01c94c76e [0,2,0,0,0,0|0,0,2]=4 9078 B11R0.40 C=CCOCCOCC(C)CC 134225d8b3d948be23d969f05512c084 [0,2,0,0,0,0|0,0,2]=4 9079 B11R0.40 C=CCOCCOC[C@@H](C)CC bfd399acabb17843f593890f89f5032c [0,2,0,0,0,0|0,0,2]=4 9080 B11R0.40 C=CCOCCOC[C@H](C)CC b19ce4f146b0aa06684c43c0d5fb9482 [0,2,0,0,0,0|0,0,2]=4 9081 B11R0.40 C=COCCOCCC(C)CC d2969b98aad3d3413bb1d56104693842 [0,2,0,0,0,0|0,0,2]=4 9082 B11R0.40 C=C[C@H](C)OCCCCCCC af84f4f08edf38169cc50500eea3f0fe [0,2,0,0,0,0|2,0,0]=4 9083 B11R0.40 C=C[C@H](C)OCCOCCCC 4ed1997c8157368c4c6f28eef7cc444a [0,2,0,0,0,0|1,0,0]=3 9084 B11R0.40 C=C[C@H](C)OCCOCCOC 1f51c75260c7bb9f2a64a0569cadf304 [0,2,0,0,0,0|2,0,0]=4 9085 B11R0.40 CC#CCCCOCC(=O)CC ac221a934d0fb7af56e84ccd9859eb86 [0,2,0,0,0,0|0,0,2]=4 9086 B11R0.40 CC#CCCCOCC(C)CC bb3c274922de62a58e53c84d249646f6 [0,2,0,0,0,0|0,0,1]=3 9087 B11R0.40 CC#CCCCOCC(C)OC 85874e1922d2bf91d6e9968ade0f14e5 [0,2,0,0,0,0|1,0,1]=4 9088 B11R0.40 CC#CCCCOCC(Cl)CCl 0cfb7929f95e9f9cb9274080bd36ea73 [0,2,0,0,0,0|1,0,1]=4 9089 B11R0.40 CC#CCCCOCC(O)CO 203a7a48056c29bb3fb2ea4dbfe9b7e1 [0,2,0,0,0,0|1,0,1]=4 9090 B11R0.40 CC#CCCCOC[C@@H](C)CC 24997195d7174ee3c342b3e6b81bf0cc [0,2,0,0,0,0|0,0,1]=3 9091 B11R0.40 CC#CCCCOC[C@@H](C)OC c2bcfcec21bea860a0e3645cb66c223b [0,2,0,0,0,0|1,0,1]=4 9092 B11R0.40 CC#CCCCOC[C@@H](O)CO 073841623d93ff96b832d72bf43a521d [0,2,0,0,0,0|1,0,1]=4 9093 B11R0.40 CC#CCCCOC[C@H](C)CC 320ccf73c2d511fb647615fae82497c7 [0,2,0,0,0,0|0,0,1]=3 9094 B11R0.40 CC#CCCCOC[C@H](C)OC b6f87f0512fcaf56df0633fac9e5064e [0,2,0,0,0,0|1,0,1]=4 9095 B11R0.40 CC#CCCCOC[C@H](O)CO 599cb9cc63d989adf6a55fdb300a5e14 [0,2,0,0,0,0|1,0,1]=4 9096 B11R0.40 CC#CCCOCCC(C)CC a20f27a4c5e8fe756299f56de5944657 [0,2,0,0,0,0|0,0,1]=3 9097 B11R0.40 CC#CCCOCCS(=O)CC 99523b2da30859b8ac5d11dc6a1ac946 [0,2,0,0,0,0|0,0,2]=4 9098 B11R0.40 CC(C#N)COCCCCCF 6cf5cc30d11ad4cf5ef1a430ff19be49 [0,2,0,0,0,0|1,0,1]=4 9099 B11R0.40 CC(C#N)NCCOCCCO 5a1ab2bd745434377372db6059409e4c [0,2,0,0,0,0|2,0,0]=4 9100 B11R0.40 CC(C#N)OCCOCCCF 7563d4e516742e76b432af9e31875537 [0,2,0,0,0,0|2,0,0]=4 9101 B11R0.40 CC(C#N)OCCOCCCS a8a90ef5b87c4f203e8c0224a623854d [0,2,0,0,0,0|2,0,0]=4 9102 B11R0.40 CC(C=O)NCCOCCCO 6736336cef27aa5c7ee766f7074fa57d [0,2,0,0,0,0|2,0,0]=4 9103 B11R0.40 CC(CO)CCCNCCCF ddbe7d99f32e0f7d4d51cc773fc6f2e9 [0,2,0,0,0,0|2,0,0]=4 9104 B11R0.40 CC(CO)CCCNCCCO ffd2b30790660805af463d2d15f2df9e [0,2,0,0,0,0|2,0,0]=4 9105 B11R0.40 CC(CO)CCCNCCCS 2ce019b4493b58209655b8c14d50ea66 [0,2,0,0,0,0|2,0,0]=4 9106 B11R0.40 CC(CO)CCNCCCCCl 289e569731cc64c8baa8e03ec75c19d0 [0,2,0,0,0,0|2,0,0]=4 9107 B11R0.40 CC(CO)CCNCCCCF 6b99a3ac8ff36a413b52e537f7ddf89e [0,2,0,0,0,0|2,0,0]=4 9108 B11R0.40 CC(CO)CCNCCCCO a225f5c6c1270b65c10b665b343d9140 [0,2,0,0,0,0|2,0,0]=4 9109 B11R0.40 CC(CO)CCNCCCCS 358c7e599ea278097d674949ffd8df69 [0,2,0,0,0,0|2,0,0]=4 9110 B11R0.40 CC(CO)CNCCCCCCl ac133c3209c76689b26c47b802c1b0e2 [0,2,0,0,0,0|2,0,0]=4 9111 B11R0.40 CC(CO)CNCCCCCF 60d920ec90de3c9d76dd389ea7711f11 [0,2,0,0,0,0|2,0,0]=4 9112 B11R0.40 CC(CO)CNCCCCCO e8485944caba9dfe6d971d086ec1cdec [0,2,0,0,0,0|2,0,0]=4 9113 B11R0.40 CC(CO)NCCOCCCO 95668291914d255714891a9202271fb4 [0,2,0,0,0,0|2,0,0]=4 9114 B11R0.40 CC/C=C/CCOCC(=O)CC 5dd2e8d1d699073d1052090261a24f09 [0,2,0,0,0,0|0,0,2]=4 9115 B11R0.40 CC/C=C/CCOCC(C)CC a18893e95294266df641a7f75df77371 [0,2,0,0,0,0|0,0,1]=3 9116 B11R0.40 CC/C=C/CCOCC(C)OC b69bab836f7ce24a669ac84b7b97f67c [0,2,0,0,0,0|1,0,1]=4 9117 B11R0.40 CC/C=C/CCOCC(O)CO d5bb2cc2b2fc8bfe0132ad28ede8c792 [0,2,0,0,0,0|1,0,1]=4 9118 B11R0.40 CC/C=C/CCOC[C@@H](C)CC 6a7ff2db86ad7259184ffa9f1833190d [0,2,0,0,0,0|0,0,1]=3 9119 B11R0.40 CC/C=C/CCOC[C@@H](C)OC 88bc44add226273e3e2aad0182353713 [0,2,0,0,0,0|1,0,1]=4 9120 B11R0.40 CC/C=C/CCOC[C@@H](O)CO de6e33a79b3953dc1a3a4f890c222712 [0,2,0,0,0,0|1,0,1]=4 9121 B11R0.40 CC/C=C/CCOC[C@H](C)CC 46f27b7828b11bb004eebf552002aba2 [0,2,0,0,0,0|0,0,1]=3 9122 B11R0.40 CC/C=C/CCOC[C@H](C)OC f5782ff7224b37eae9c4f50ed5cfc96b [0,2,0,0,0,0|1,0,1]=4 9123 B11R0.40 CC/C=C/CCOC[C@H](O)CO 27d1638a089071e638bedc7e8339f1dd [0,2,0,0,0,0|1,0,1]=4 9124 B11R0.40 CC/C=C/CNCCC(C)CC e08bd51197f77277c9df96b6a9b47eb6 [0,2,0,0,0,0|1,0,1]=4 9125 B11R0.40 CC/C=C/COCCC(C)CC c8657a8dedc1141108538ffcbaf60b93 [0,2,0,0,0,0|0,0,1]=3 9126 B11R0.40 CC/C=C/COCCC(C)OC d3a6208532ad127c0269daa82005beae [0,2,0,0,0,0|0,0,2]=4 9127 B11R0.40 CC/C=C/COCCC(S)CC 2398d0f459936d50b24d4555d0f3701d [0,2,0,0,0,0|0,0,1]=3 9128 B11R0.40 CC/C=C/COCCS(=O)CC 6f9df793c4880369d932672a77ce9ed0 [0,2,0,0,0,0|0,0,2]=4 9129 B11R0.40 CC/C=C/COCC[C@@H](C)CC 6c9480ce42c2a1a7d94d2e53430561f8 [0,2,0,0,0,0|0,0,1]=3 9130 B11R0.40 CC/C=C\CCNCC(C)CC f95284a6652f89b8ca36267b81279e41 [0,2,0,0,0,0|1,0,1]=4 9131 B11R0.40 CC/C=C\CCNCC(O)CC d3e06e192f877304707d30533ae19d86 [0,2,0,0,0,0|1,0,1]=4 9132 B11R0.40 CC/C=C\CCNC[C@@H](C)CC 37e68e9372b32a11010391a5104a30df [0,2,0,0,0,0|1,0,1]=4 9133 B11R0.40 CC/C=C\CCNC[C@H](O)CC 607e86fcce4ce79a2d479a974464af41 [0,2,0,0,0,0|1,0,1]=4 9134 B11R0.40 CC/C=C\CCOCC(=O)CC 8b7645a2c7d49be789738e918c3d3344 [0,2,0,0,0,0|0,0,2]=4 9135 B11R0.40 CC/C=C\CCOCC(Br)CBr ec53f3d2cfbb06d4dbc41c4fd310eeb7 [0,2,0,0,0,0|1,0,1]=4 9136 B11R0.40 CC/C=C\CCOCC(C)CC 7be206bf36abd75136c6f76c2f007f15 [0,2,0,0,0,0|0,0,1]=3 9137 B11R0.40 CC/C=C\CCOCC(C)OC 55a39f855b2d92803c0b3307dbb6f098 [0,2,0,0,0,0|1,0,1]=4 9138 B11R0.40 CC/C=C\CCOCC(Cl)CCl 4ab6e4728c31e7ab1c2d0742ac958bba [0,2,0,0,0,0|1,0,1]=4 9139 B11R0.40 CC/C=C\CCOCC(O)CO 6118ec4778b8f6429a46f3ec34b19ffe [0,2,0,0,0,0|1,0,1]=4 9140 B11R0.40 CC/C=C\CCOCC(S)CS f4e3db4a0c7cff2da01377cfe7c40518 [0,2,0,0,0,0|1,0,1]=4 9141 B11R0.40 CC/C=C\CCOC[C@@H](C)CC c3d86722637108e275c54b064d03985d [0,2,0,0,0,0|0,0,1]=3 9142 B11R0.40 CC/C=C\CCOC[C@@H](C)OC 062e2347423372bafb74a66ee6342756 [0,2,0,0,0,0|1,0,1]=4 9143 B11R0.40 CC/C=C\CCOC[C@@H](O)CO 7320fcc4720f09f20b0e5859446bfd13 [0,2,0,0,0,0|1,0,1]=4 9144 B11R0.40 CC/C=C\CCOC[C@H](C)CC 31b408c8a11bab3cf180e17165f8d169 [0,2,0,0,0,0|0,0,1]=3 9145 B11R0.40 CC/C=C\CCOC[C@H](C)OC bbea1b798c5ce3ceee890ace608f3c13 [0,2,0,0,0,0|1,0,1]=4 9146 B11R0.40 CC/C=C\CCOC[C@H](O)CO 6ce47864b8dc30ad9bbfa39c55d7d2b8 [0,2,0,0,0,0|1,0,1]=4 9147 B11R0.40 CC/C=C\COCCC(C)CC 87a94e6c58dec9643bc2437a3affb74d [0,2,0,0,0,0|0,0,1]=3 9148 B11R0.40 CC/C=C\COCCS(=O)CC 0a6e6970380de620a7af773300e688fd [0,2,0,0,0,0|0,0,2]=4 9149 B11R0.40 CC=C=CCCOCC(C)CC 0dc45d920f74487f2867452bfe8f824c [0,2,0,0,0,0|0,0,2]=4 9150 B11R0.40 CC=C=CCCOC[C@@H](C)CC d4eb2e5b973be48fb5d8ba2390a34649 [0,2,0,0,0,0|0,0,2]=4 9151 B11R0.40 CC=C=CCCOC[C@H](C)CC 5205d210c51b3c49761cd16c5d02b3c7 [0,2,0,0,0,0|0,0,2]=4 9152 B11R0.40 CC=CCCCOCC(=O)CC 7b83ed5582f9954f8d323606ab334e05 [0,2,0,0,0,0|0,0,2]=4 9153 B11R0.40 CC=CCCCOCC(C)CC 12c577dd0f830a964e4705c1f2431e99 [0,2,0,0,0,0|0,0,1]=3 9154 B11R0.40 CC=CCCCOCC(C)OC 7b020ac4b74f089ff2eb9ed037ce2d75 [0,2,0,0,0,0|1,0,1]=4 9155 B11R0.40 CC=CCCCOCC(O)CO 556c9af9152eb5ce0893e855de507469 [0,2,0,0,0,0|1,0,1]=4 9156 B11R0.40 CC=CCCCOC[C@@H](C)CC e4ca4800db2261d9bfca276bb131b921 [0,2,0,0,0,0|0,0,1]=3 9157 B11R0.40 CC=CCCCOC[C@@H](C)OC ce52ea08994a5374fde81fa313b67959 [0,2,0,0,0,0|1,0,1]=4 9158 B11R0.40 CC=CCCCOC[C@@H](O)CO e081bcd7b39761caf259e42edf005a91 [0,2,0,0,0,0|1,0,1]=4 9159 B11R0.40 CC=CCCCOC[C@H](C)CC 07b1ae0804b259716b3d8ec7a8c35797 [0,2,0,0,0,0|0,0,1]=3 9160 B11R0.40 CC=CCCCOC[C@H](C)OC 79d0067ab30b4b5e13db7450e24c9a7f [0,2,0,0,0,0|1,0,1]=4 9161 B11R0.40 CC=CCCCOC[C@H](O)CO b8a764cb77889ededba0474dc44d9a0b [0,2,0,0,0,0|1,0,1]=4 9162 B11R0.40 CCC#CCCOCC(=O)CC 2033846b851cc5e783cfd1039f29f002 [0,2,0,0,0,0|0,0,2]=4 9163 B11R0.40 CCC#CCCOCC(C)CC 6b2e85cb34aaa77fd2e35d3b9d7b3682 [0,2,0,0,0,0|0,0,1]=3 9164 B11R0.40 CCC#CCCOCC(C)OC 735fb18a73730707a71011d76530cd66 [0,2,0,0,0,0|1,0,1]=4 9165 B11R0.40 CCC#CCCOCC(O)CO 055263bd174e310d7532c046d1edea85 [0,2,0,0,0,0|1,0,1]=4 9166 B11R0.40 CCC#CCCOC[C@@H](C)CC fc08bb0d807bce7d3ab5dfd08e715e7a [0,2,0,0,0,0|0,0,1]=3 9167 B11R0.40 CCC#CCCOC[C@@H](C)OC 14e702edff5b0d1551e26d943bcffedf [0,2,0,0,0,0|1,0,1]=4 9168 B11R0.40 CCC#CCCOC[C@@H](O)CO 8d53f5f391a38352faa65cfc6cee82c9 [0,2,0,0,0,0|1,0,1]=4 9169 B11R0.40 CCC#CCCOC[C@H](C)CC c172420df80d81637619153158bab97d [0,2,0,0,0,0|0,0,1]=3 9170 B11R0.40 CCC#CCCOC[C@H](C)OC 1cfac5b0acd2480b0e9f63246b4a0f05 [0,2,0,0,0,0|1,0,1]=4 9171 B11R0.40 CCC#CCCOC[C@H](O)CO 91e3289f50084ac7454737ef29710dff [0,2,0,0,0,0|1,0,1]=4 9172 B11R0.40 CCC#CCNCCC(C)CC 0e670ee9db95246690d0b09f6809ce35 [0,2,0,0,0,0|1,0,1]=4 9173 B11R0.40 CCC#CCOCCC(C)CC f96e6971241507cc1d3ef8da695a63bb [0,2,0,0,0,0|0,0,1]=3 9174 B11R0.40 CCC#CCOCCC(S)CC 6b0762eaa0d7c8b6d4088199637c9064 [0,2,0,0,0,0|0,0,1]=3 9175 B11R0.40 CCC#CCOCC[C@@H](C)CC 8b79efa4ff6581a69c519fe3ce36233f [0,2,0,0,0,0|0,0,1]=3 9176 B11R0.40 CCC(=O)CNCCCCCCl 169847daaa232a59c508e79ce465d1e5 [0,2,0,0,0,0|1,0,1]=4 9177 B11R0.40 CCC(=O)CNCCCCCO 91c7de1de227e0265fc520775d22d8c8 [0,2,0,0,0,0|1,0,1]=4 9178 B11R0.40 CCC(=O)CNCCCCOC d5b6790bb3d7512c23a539ebe949f5a7 [0,2,0,0,0,0|1,0,1]=4 9179 B11R0.40 CCC(=O)CNCCCCSC adfe90b7cfa2d2b67fa90f773d60c43d [0,2,0,0,0,0|1,0,1]=4 9180 B11R0.40 CCC(=O)COCCCCC#N 96dd12dcfbfb8ce5eeab8de2efa6064a [0,2,0,0,0,0|0,0,2]=4 9181 B11R0.40 CCC(=O)COCCCCC=O d174ca8045989a651d141835d8302276 [0,2,0,0,0,0|0,0,2]=4 9182 B11R0.40 CCC(=O)COCCCCCF 4d534a6cf979caa0f2da56f2652dc1d0 [0,2,0,0,0,0|0,0,1]=3 9183 B11R0.40 CCC(=O)COCCCCOC 4661f8c22c4d0285a2d318daa5b937e6 [0,2,0,0,0,0|0,0,1]=3 9184 B11R0.40 CCC(=O)COCCCCSC 973dc3a8bf4d40d91f3f7ce58aa6fa50 [0,2,0,0,0,0|0,0,1]=3 9185 B11R0.40 CCC(=O)COCCOCCF bcee19a6a5f7cba3ac3fb75f4b06d4b6 [0,2,0,0,0,0|1,0,1]=4 9186 B11R0.40 CCC(=O)COCCOCCS f2075402719ebcb33bfca392fe4f983c [0,2,0,0,0,0|1,0,1]=4 9187 B11R0.40 CCC(=O)COCCOCOC f6dd702fb7ca8442f692b028a84fe9e3 [0,2,0,0,0,0|1,0,1]=4 9188 B11R0.40 CCC(=O)COCOCCOC 7d3ffbf96952313966899c8e44aaa320 [0,2,0,0,0,0|1,0,1]=4 9189 B11R0.40 CCC(=O)NCCOCCCF f29a3e0d47ecb3cee85424198b78cbd8 [0,2,0,0,0,0|1,0,1]=4 9190 B11R0.40 CCC(=O)NCCOCCCO 90516e70b01a032c68f6e42e015df8be [0,2,0,0,0,0|1,0,1]=4 9191 B11R0.40 CCC(=O)NCCOCCCS 3e2bc2ac898c20225c8cef321bad5498 [0,2,0,0,0,0|1,0,1]=4 9192 B11R0.40 CCC(=O)NCCOCCOC 50b2bfa3c5d337e371918ef2f05d28ad [0,2,0,0,0,0|1,0,1]=4 9193 B11R0.40 CCC(=O)NCCOCCSC 25b4de23267199d94168f2e243a41471 [0,2,0,0,0,0|1,0,1]=4 9194 B11R0.40 CCC(=O)OCCOCCCF fd99852891544bbecd7f01f790bb3807 [0,2,0,0,0,0|1,0,1]=4 9195 B11R0.40 CCC(=O)OCCOCCCS 49d51fd3c9ff165a7be6bb0d6a01c1b8 [0,2,0,0,0,0|1,0,1]=4 9196 B11R0.40 CCC(=O)OCCOCCOC 10cd358447e04560f35ee77c32dda02e [0,2,0,0,0,0|1,0,1]=4 9197 B11R0.40 CCC(=O)OCCOCCSC ee19bf4570dabcc2010b5e608c212eac [0,2,0,0,0,0|1,0,1]=4 9198 B11R0.40 CCC(=O)OCOCCCCF 2da5f348849cf441720d8745c29938bb [0,2,0,0,0,0|1,0,1]=4 9199 B11R0.40 CCC(=O)OCOCCCCS 5f92db6ce995048498683cec8397e506 [0,2,0,0,0,0|1,0,1]=4 9200 B11R0.40 CCC(=O)OCOCCCOC 1bc3a2de1ea9ba30e8e276b0a82ebcff [0,2,0,0,0,0|1,0,1]=4 9201 B11R0.40 CCC(=O)OCOCCCSC e4c29711e69d1c851009c68d74b91722 [0,2,0,0,0,0|1,0,1]=4 9202 B11R0.40 CCC(C)CCCCCOCF b60526b77c9c5cfa3c2e4346213d2f40 [0,2,0,0,0,0|2,0,0]=4 9203 B11R0.40 CCC(C)CCCCOCCF 1e022e3867b8ea2558a22a39e21afc35 [0,2,0,0,0,0|2,0,0]=4 9204 B11R0.40 CCC(C)CCCCOCCS d10cc05ab6749760e17297b28be2284c [0,2,0,0,0,0|2,0,0]=4 9205 B11R0.40 CCC(C)CCCCOCOC 6b4a7a8769f7a280cb9eefdddb116e89 [0,2,0,0,0,0|2,0,0]=4 9206 B11R0.40 CCC(C)CCCCOCSC eeac88279cb3a0717d2d2462c64c4034 [0,2,0,0,0,0|2,0,0]=4 9207 B11R0.40 CCC(C)CCCOCCC#N 815ad6900d63ac275bc6165b529b9bf7 [0,2,0,0,0,0|1,0,1]=4 9208 B11R0.40 CCC(C)CCCOCCC=O 10dc23ce68522c008ed5bba4c2e8f68a [0,2,0,0,0,0|1,0,1]=4 9209 B11R0.40 CCC(C)CCCOCCCF 6d12c5f4e26bfc0a7761c468e56d221d [0,2,0,0,0,0|1,0,0]=3 9210 B11R0.40 CCC(C)CCCOCCCS b0cdb94e9a515755029ea0b01c419037 [0,2,0,0,0,0|1,0,0]=3 9211 B11R0.40 CCC(C)CCCOCCOC 37a40db2de0b4adba910e2dae020cb85 [0,2,0,0,0,0|1,0,0]=3 9212 B11R0.40 CCC(C)CCCOCCSC f4242b2115bc6718da23a3ee02198eb8 [0,2,0,0,0,0|1,0,0]=3 9213 B11R0.40 CCC(C)CCNCCCC#N 242d8f70233adb6ed9f956e1b3f56df4 [0,2,0,0,0,0|1,0,1]=4 9214 B11R0.40 CCC(C)CCNCCCC=O fdd1b18d1f766e1d588957782e21fe54 [0,2,0,0,0,0|1,0,1]=4 9215 B11R0.40 CCC(C)CCNCCCCCl 95758da37fe6c56825fd91556b6f6b9e [0,2,0,0,0,0|1,0,0]=3 9216 B11R0.40 CCC(C)CCNCCCCF 78e695fb9c4d9d4ec59163ad34ba6daf [0,2,0,0,0,0|1,0,0]=3 9217 B11R0.40 CCC(C)CCNCCCCO 3714c8a6512245ebd953ed4d38e866c5 [0,2,0,0,0,0|1,0,0]=3 9218 B11R0.40 CCC(C)CCNCCCCS 18c813a62c7e9fbff1619a0667c54a75 [0,2,0,0,0,0|1,0,0]=3 9219 B11R0.40 CCC(C)CCNCCCOC 5b49aa892fd6522002a97a2b6de4f83a [0,2,0,0,0,0|1,0,0]=3 9220 B11R0.40 CCC(C)CCNCCCSC ad9fbbad20d401c0f7f118328d360577 [0,2,0,0,0,0|1,0,0]=3 9221 B11R0.40 CCC(C)CCOCCCC#N db4589a0b30a3a3bf1792dbb02b37f93 [0,2,0,0,0,0|0,0,1]=3 9222 B11R0.40 CCC(C)CCOCCCC=O e68eddd5308822bf3e1bace263633203 [0,2,0,0,0,0|0,0,1]=3 9223 B11R0.40 CCC(C)CCOCCCCF 8a5b2b60c4d04dab4e603c093cf3bd89 [0,2,0,0,0,0|0,0,0]=2 9224 B11R0.40 CCC(C)CCOCCCCS e0c54b9a64591ca1409157776b5eb831 [0,2,0,0,0,0|0,0,0]=2 9225 B11R0.40 CCC(C)CCOCCCOC c0414851795aa495d59e0b0f45b98388 [0,2,0,0,0,0|0,0,0]=2 9226 B11R0.40 CCC(C)CCOCCCSC d1ae7848594126792d7f20d474996a5a [0,2,0,0,0,0|0,0,0]=2 9227 B11R0.40 CCC(C)CCOCCNC=O 23b532d262a09fb598e2b4175d612caf [0,2,0,0,0,0|1,0,1]=4 9228 B11R0.40 CCC(C)CCOCCOC=O be15572a8711b77708eb3d3b2409d971 [0,2,0,0,0,0|1,0,1]=4 9229 B11R0.40 CCC(C)CNCCCCC#N 9efb82145010fb521c85f28fb7c0f552 [0,2,0,0,0,0|1,0,1]=4 9230 B11R0.40 CCC(C)CNCCCCC=O ae7797635de3722035396d3a518acd56 [0,2,0,0,0,0|1,0,1]=4 9231 B11R0.40 CCC(C)CNCCCCCCl 0d905d3ce4a6311f763cd536cf2e1ada [0,2,0,0,0,0|1,0,0]=3 9232 B11R0.40 CCC(C)CNCCCCCF 5bd25a68da2f319a726f02cdffe95af1 [0,2,0,0,0,0|1,0,0]=3 9233 B11R0.40 CCC(C)CNCCCCCO 24d6bb34a9168935c8b4339b8217ec3b [0,2,0,0,0,0|1,0,0]=3 9234 B11R0.40 CCC(C)CNCCCCOC 57dab29a773bc8653702009c225bb236 [0,2,0,0,0,0|1,0,0]=3 9235 B11R0.40 CCC(C)CNCCCCON 1ea36365e0fee2f0fe45e22f1ee754c9 [0,2,0,0,0,0|2,0,0]=4 9236 B11R0.40 CCC(C)CNCCCCSC 67fbc7000381bdb160ea8efedca81ffb [0,2,0,0,0,0|1,0,0]=3 9237 B11R0.40 CCC(C)CNCCOCCO 2655d2c657a6cc08761f18f2084dd803 [0,2,0,0,0,0|2,0,0]=4 9238 B11R0.40 CCC(C)CNCCOCCS 4d8c02f8f34f7b2e8ad6b8b814cf4b2a [0,2,0,0,0,0|2,0,0]=4 9239 B11R0.40 CCC(C)CNCCOCOC fc85831a70f7eb905596f180ee35b5e1 [0,2,0,0,0,0|2,0,0]=4 9240 B11R0.40 CCC(C)CNCCSCCO 8bdec0878ce1f522d83ee2254ee10f7d [0,2,0,0,0,0|2,0,0]=4 9241 B11R0.40 CCC(C)CNCOCCOC 997b161e70cb375e1f6d4f89e3246ee0 [0,2,0,0,0,0|1,0,0]=3 9242 B11R0.40 CCC(C)COCC#CCOC 0e30dd509422eb9806a25aa703274a08 [0,2,0,0,0,0|0,0,2]=4 9243 B11R0.40 CCC(C)COCCCCC#N db44113d79d96b5a54e874d0caac063d [0,2,0,0,0,0|0,0,1]=3 9244 B11R0.40 CCC(C)COCCCCC=O 4e8e651b3f292bbf14861723bfadd5da [0,2,0,0,0,0|0,0,1]=3 9245 B11R0.40 CCC(C)COCCCCCF f7f4fa21036fccc0bb9b5ffbc88cd324 [0,2,0,0,0,0|0,0,0]=2 9246 B11R0.40 CCC(C)COCCCCOC abcb3de8103db808663a0d292ef3fec1 [0,2,0,0,0,0|0,0,0]=2 9247 B11R0.40 CCC(C)COCCCCSC 5e8e05b8cbc2a6b7685c875e33897845 [0,2,0,0,0,0|0,0,0]=2 9248 B11R0.40 CCC(C)COCCOCC#N cec972822b66585ceb87e0e446c8bf3f [0,2,0,0,0,0|1,0,1]=4 9249 B11R0.40 CCC(C)COCCOCC=O b0a1fc17cee7b3b58ec33f2ee4633c90 [0,2,0,0,0,0|1,0,1]=4 9250 B11R0.40 CCC(C)COCCOCCF 786cfa665935b9c80171f3220c5725d8 [0,2,0,0,0,0|1,0,0]=3 9251 B11R0.40 CCC(C)COCCOCCS 975bf4c4f027cb8e23da9c900cbd79df [0,2,0,0,0,0|1,0,0]=3 9252 B11R0.40 CCC(C)COCCOCOC e765f59bcbc823ace819b76680829063 [0,2,0,0,0,0|1,0,0]=3 9253 B11R0.40 CCC(C)COCOCCOC e1c2c3d9a725cf8a89c35c96de0e857c [0,2,0,0,0,0|1,0,0]=3 9254 B11R0.40 CCC(C)NCCCCCCCl 238c1fc09284432037fd0718638b52ad [0,2,0,0,0,0|2,0,0]=4 9255 B11R0.40 CCC(C)NCCCCCCF a764e01e7673cd877395fd2fc3808483 [0,2,0,0,0,0|2,0,0]=4 9256 B11R0.40 CCC(C)NCCCCCCO c56340f60c3db96b7780b39d8e32cf3e [0,2,0,0,0,0|2,0,0]=4 9257 B11R0.40 CCC(C)NCCCCCOC 6d55bacda117970e1fd901d27e451ac6 [0,2,0,0,0,0|2,0,0]=4 9258 B11R0.40 CCC(C)NCCOCCCO 0a3412ecda493caada4255881e321a14 [0,2,0,0,0,0|1,0,0]=3 9259 B11R0.40 CCC(C)NCCOCCOC cd46a388fd21498637f06822edd69f3b [0,2,0,0,0,0|1,0,0]=3 9260 B11R0.40 CCC(C)NCCOCCON aa69cc5d71bd0f64903d440acb2a25c9 [0,2,0,0,0,0|2,0,0]=4 9261 B11R0.40 CCC(C)OCCCCCCF 50bde3a0a6e25ebfe585fe47a7570e9c [0,2,0,0,0,0|2,0,0]=4 9262 B11R0.40 CCC(C)OCCCCCCS 1591201daa15d82a6449b8f80b1705b2 [0,2,0,0,0,0|2,0,0]=4 9263 B11R0.40 CCC(C)OCCCCCOC d3c41196d7b06f94ec35caa1098e8de8 [0,2,0,0,0,0|2,0,0]=4 9264 B11R0.40 CCC(C)OCCOCCC#N 64a67c94a5f4fa1e37657df400fac1f3 [0,2,0,0,0,0|1,0,1]=4 9265 B11R0.40 CCC(C)OCCOCCOC 745cebd4f891d44bdf8b3ac02dbc5486 [0,2,0,0,0,0|1,0,0]=3 9266 B11R0.40 CCC(O)CNCCCCC#N cc34c4f5ec76edc0ed04935d68278955 [0,2,0,0,0,0|1,0,1]=4 9267 B11R0.40 CCC(O)CNCCCCC=O 8911aa6bf267edd8cd68d3ed2c6adec8 [0,2,0,0,0,0|1,0,1]=4 9268 B11R0.40 CCC(O)CNCCCCCCl 11bc1065ed3b3cfff44cf40472693893 [0,2,0,0,0,0|1,0,0]=3 9269 B11R0.40 CCC(O)CNCCCCCF cdbdd0a857800b07ac37fd8357f00a27 [0,2,0,0,0,0|1,0,0]=3 9270 B11R0.40 CCC(O)CNCCCCCO 5f93feec4e745184fa4236389c6b9cb3 [0,2,0,0,0,0|1,0,0]=3 9271 B11R0.40 CCC(O)CNCCCCOC 748df78729d775c76f98120617d2e207 [0,2,0,0,0,0|1,0,0]=3 9272 B11R0.40 CCC(O)CNCCCCON 15c07f73bef7b6c8e50078ea109376b9 [0,2,0,0,0,0|2,0,0]=4 9273 B11R0.40 CCC(O)CNCCCCSC 3f034686241ae0a15d9fd54a35586c8c [0,2,0,0,0,0|1,0,0]=3 9274 B11R0.40 CCC(O)CNCCOCCO 828812049eec4610ba6f8d15c2b54ad5 [0,2,0,0,0,0|2,0,0]=4 9275 B11R0.40 CCC(O)CNCCOCCS 0385ff7a6a5da4f505da2fc0dc0960ca [0,2,0,0,0,0|2,0,0]=4 9276 B11R0.40 CCC(O)CNCCOCOC 84e174551a04984ca18544644eaac71b [0,2,0,0,0,0|2,0,0]=4 9277 B11R0.40 CCC(O)CNCCSCCO 60bd64c6902ad542d6cb2849be3880ae [0,2,0,0,0,0|2,0,0]=4 9278 B11R0.40 CCC(O)CNCOCCOC 2b50f3edcd0b21dc51fb936d98e9bd32 [0,2,0,0,0,0|1,0,0]=3 9279 B11R0.40 CCC(S)CCOCCCC#N a1115b231555d060971d731089315d5a [0,2,0,0,0,0|0,0,1]=3 9280 B11R0.40 CCC(S)CCOCCCC=O 7f153713010ce4a1040217df3966e0eb [0,2,0,0,0,0|0,0,1]=3 9281 B11R0.40 CCC(S)CCOCCCCF 2f34ccb35ff3a4173c08cb3c3c0dac83 [0,2,0,0,0,0|0,0,0]=2 9282 B11R0.40 CCC(S)CCOCCCOC 1b03b7a8e8d6a4cff84078b707e331cf [0,2,0,0,0,0|0,0,0]=2 9283 B11R0.40 CCC(S)CCOCCCSC 4a4c717a96b75f860db3752af07dc59b [0,2,0,0,0,0|0,0,0]=2 9284 B11R0.40 CCC/C=C/CNCC(C)CC b4fb6507df2c06e73c64e330fc1b1559 [0,2,0,0,0,0|1,0,1]=4 9285 B11R0.40 CCC/C=C/CNCC(O)CC 2d20fef61051dfb3f61dacbedf5e3da7 [0,2,0,0,0,0|1,0,1]=4 9286 B11R0.40 CCC/C=C/CNC[C@@H](C)CC d236eef3953719f38902ac7be9ffd0a9 [0,2,0,0,0,0|1,0,1]=4 9287 B11R0.40 CCC/C=C/CNC[C@H](O)CC 686fd8e6a2be91afd6f74695e004c2e0 [0,2,0,0,0,0|1,0,1]=4 9288 B11R0.40 CCC/C=C/COCC(=O)CC b700ba62ba6c38d302c79149d95acbbe [0,2,0,0,0,0|0,0,2]=4 9289 B11R0.40 CCC/C=C/COCC(Br)CBr aa6a1f3014c50998069516fdf302cec5 [0,2,0,0,0,0|1,0,1]=4 9290 B11R0.40 CCC/C=C/COCC(C)CC deab396c5eae60a017b4c7da9874db44 [0,2,0,0,0,0|0,0,1]=3 9291 B11R0.40 CCC/C=C/COCC(C)OC 16bc00c8af21158dd2ab8bbc8573bdf2 [0,2,0,0,0,0|1,0,1]=4 9292 B11R0.40 CCC/C=C/COCC(Cl)CCl 03055d821746c37e73afa683d64391ef [0,2,0,0,0,0|1,0,1]=4 9293 B11R0.40 CCC/C=C/COCC(O)CO 165b575bdf520195a29673deb5bde79e [0,2,0,0,0,0|1,0,1]=4 9294 B11R0.40 CCC/C=C/COCC(S)CS 8a8a5de0219b23f47ca8930808a85ddc [0,2,0,0,0,0|1,0,1]=4 9295 B11R0.40 CCC/C=C/COC[C@@H](C)CC 6dbdefb9ae474bc1e56f932e5d864f8b [0,2,0,0,0,0|0,0,1]=3 9296 B11R0.40 CCC/C=C/COC[C@@H](C)OC 0af019b7faef3563f9faf4b2468bff0c [0,2,0,0,0,0|1,0,1]=4 9297 B11R0.40 CCC/C=C/COC[C@@H](O)CO ef0f0c7dbd418bf0571a1eb6a8eddd30 [0,2,0,0,0,0|1,0,1]=4 9298 B11R0.40 CCC/C=C/COC[C@H](C)CC 87004b804d8c4dd7cb65b8ff361e2d47 [0,2,0,0,0,0|0,0,1]=3 9299 B11R0.40 CCC/C=C/COC[C@H](C)OC 6506fee941bbb595601711be02587330 [0,2,0,0,0,0|1,0,1]=4 9300 B11R0.40 CCC/C=C/COC[C@H](O)CO 25a7ce6210e07e41116af5e5286b5a2c [0,2,0,0,0,0|1,0,1]=4 9301 B11R0.40 CCC/C=C\CCOC(C)CC 13d87a7ea326f930dfa93405269ec40e [0,2,0,0,0,0|1,0,1]=4 9302 B11R0.40 CCC/C=C\CNCC(C)CC 48d8c6acc6321caeff54253d293ec5c6 [0,2,0,0,0,0|1,0,1]=4 9303 B11R0.40 CCC/C=C\CNCC(O)CC 94ad763b6b1a42e52311dbad06bfb3d2 [0,2,0,0,0,0|1,0,1]=4 9304 B11R0.40 CCC/C=C\CNC[C@@H](C)CC 92bbaf021b30ca7059c9ec2eef8a2a1f [0,2,0,0,0,0|1,0,1]=4 9305 B11R0.40 CCC/C=C\CNC[C@H](O)CC 2487489daeea3c26baa941d59f42f382 [0,2,0,0,0,0|1,0,1]=4 9306 B11R0.40 CCC/C=C\COCC(=O)CC cceeecf8b274f561ec9658dba7c792f4 [0,2,0,0,0,0|0,0,2]=4 9307 B11R0.40 CCC/C=C\COCC(Br)CBr 8704abb2bf361cb173ac7f286836aec8 [0,2,0,0,0,0|1,0,1]=4 9308 B11R0.40 CCC/C=C\COCC(C)CC 66ce29a4e5db2f268ca30e43e5ca7843 [0,2,0,0,0,0|0,0,1]=3 9309 B11R0.40 CCC/C=C\COCC(C)OC 8d506c35d52407aac6fe01955830ef7d [0,2,0,0,0,0|1,0,1]=4 9310 B11R0.40 CCC/C=C\COCC(Cl)CCl d0a158587b0a77f7bc257f31f36b5afa [0,2,0,0,0,0|1,0,1]=4 9311 B11R0.40 CCC/C=C\COCC(O)CO 593e3702b108dd95f947a14e1dc02a7c [0,2,0,0,0,0|1,0,1]=4 9312 B11R0.40 CCC/C=C\COCC(S)CS 81db4466ae38cc241694d2192126b1fd [0,2,0,0,0,0|1,0,1]=4 9313 B11R0.40 CCC/C=C\COC[C@@H](C)CC 47ade8b32f2f7719798946fe9a714663 [0,2,0,0,0,0|0,0,1]=3 9314 B11R0.40 CCC/C=C\COC[C@@H](C)OC 995c8bdf637a9114cb2fb100658177eb [0,2,0,0,0,0|1,0,1]=4 9315 B11R0.40 CCC/C=C\COC[C@@H](O)CO 1ca9c75a8738c4bc79b45b361220d3d8 [0,2,0,0,0,0|1,0,1]=4 9316 B11R0.40 CCC/C=C\COC[C@H](C)CC 60fe1a88d1eee552415ad75e60066572 [0,2,0,0,0,0|0,0,1]=3 9317 B11R0.40 CCC/C=C\COC[C@H](C)OC f04f03690fc8dfc2f9c25cbc51ef4720 [0,2,0,0,0,0|1,0,1]=4 9318 B11R0.40 CCC/C=C\COC[C@H](O)CO 854d919a8edb33f4357850379ee19de9 [0,2,0,0,0,0|1,0,1]=4 9319 B11R0.40 CCCC#CCCOC(C)CC 934971b2d4b8a714c8cd4e31959028e1 [0,2,0,0,0,0|1,0,1]=4 9320 B11R0.40 CCCC#CCOCC(=O)CC 2f3cf0bcb7e2d71b159703c99fc28167 [0,2,0,0,0,0|0,0,2]=4 9321 B11R0.40 CCCC#CCOCC(C)CC 2c271bf735732eba1a6a301b3201315d [0,2,0,0,0,0|0,0,1]=3 9322 B11R0.40 CCCC#CCOCC(C)OC c9c5a597ac910e79a6815d4327711e1b [0,2,0,0,0,0|1,0,1]=4 9323 B11R0.40 CCCC#CCOCC(O)CO f856fe607dc99a473b709651cfb40295 [0,2,0,0,0,0|1,0,1]=4 9324 B11R0.40 CCCC#CCOC[C@@H](C)CC a968986c96fdffddbadd20c8fac05053 [0,2,0,0,0,0|0,0,1]=3 9325 B11R0.40 CCCC#CCOC[C@@H](C)OC fc0d9a2e31bf8edb0cbee9f559fed885 [0,2,0,0,0,0|1,0,1]=4 9326 B11R0.40 CCCC#CCOC[C@@H](O)CO ed11d856347949a5afc77d174c30602a [0,2,0,0,0,0|1,0,1]=4 9327 B11R0.40 CCCC#CCOC[C@H](C)CC 296e89ad2282edc73a563c9a259a1c88 [0,2,0,0,0,0|0,0,1]=3 9328 B11R0.40 CCCC#CCOC[C@H](C)OC 910f896f40f9f2f63b054458b248c68e [0,2,0,0,0,0|1,0,1]=4 9329 B11R0.40 CCCC#CCOC[C@H](O)CO 86a6f08d5a71e30623df26e6a7c04603 [0,2,0,0,0,0|1,0,1]=4 9330 B11R0.40 CCCC/C=C/CNC(C)CC 4a88f0a323fa51712522bb8fde7d9638 [0,2,0,0,0,0|1,0,1]=4 9331 B11R0.40 CCCC/C=C/CN[C@@H](C)CC 7f8083ecde4228361810416dd26d126b [0,2,0,0,0,0|1,0,1]=4 9332 B11R0.40 CCCC/C=C/CN[C@H](C)CC 5822e925132ca781db3688712d7d40ca [0,2,0,0,0,0|1,0,1]=4 9333 B11R0.40 CCCC/C=C/COC(C)CC f1f030f265a7cc0c5f2b20b20a9ef88a [0,2,0,0,0,0|1,0,1]=4 9334 B11R0.40 CCCC/C=C/CO[C@@H](C)CC ee560b334e21a86d80458de0ea20749e [0,2,0,0,0,0|1,0,1]=4 9335 B11R0.40 CCCC/C=C/CO[C@H](C)CC 3b561230104837286ca020a6f6e4d86a [0,2,0,0,0,0|1,0,1]=4 9336 B11R0.40 CCCC/C=C\CNC(C)CC 437d4d88b9615c2f10e9e383db6b2f5a [0,2,0,0,0,0|1,0,1]=4 9337 B11R0.40 CCCC/C=C\CN[C@@H](C)CC 0e83c5edf2704d17e68db60797cb120e [0,2,0,0,0,0|1,0,1]=4 9338 B11R0.40 CCCC/C=C\CN[C@H](C)CC cbd79268434ddd507f625d73c8d8fef7 [0,2,0,0,0,0|1,0,1]=4 9339 B11R0.40 CCCC/C=C\COC(C)CC cc01211e897eea7b830e47eaac717e35 [0,2,0,0,0,0|1,0,1]=4 9340 B11R0.40 CCCC/C=C\CO[C@@H](C)CC 3a641187af72b10e02a4f951dcaa9f74 [0,2,0,0,0,0|1,0,1]=4 9341 B11R0.40 CCCC/C=C\CO[C@H](C)CC f4dc1ab5cbfa8d696e74fbfd209cb4ef [0,2,0,0,0,0|1,0,1]=4 9342 B11R0.40 CCCCC#CCOC(C)CC 2c36fd505cd91f721396c3ff4a270211 [0,2,0,0,0,0|1,0,1]=4 9343 B11R0.40 CCCCCCCCN(C)C=O 60df17e7bff532b45ddfc3473c76a602 [0,2,0,0,0,0|2,0,0]=4 9344 B11R0.40 CCCCCCCCN(C)CC 70508c4ce057b69cc70f21f7c84ad582 [0,2,0,0,0,0|1,0,0]=3 9345 B11R0.40 CCCCCCCCN(C)CF db3adf26f95450df7a62d7f7ad5e9bf6 [0,2,0,0,0,0|2,0,0]=4 9346 B11R0.40 CCCCCCCCN(C)CO fae3de65e7b8918f8c44c346d84947bf [0,2,0,0,0,0|2,0,0]=4 9347 B11R0.40 CCCCCCCNC(=O)CC 686f1ce47fd62528159d592ae6144fd0 [0,2,0,0,0,0|1,0,1]=4 9348 B11R0.40 CCCCCCCNC(C)C#N cbb71b8690ac168702b326145c6c97cd [0,2,0,0,0,0|2,0,0]=4 9349 B11R0.40 CCCCCCCNC(C)C=O 6f8681ae95f1d8f2d4789cffbb74dc19 [0,2,0,0,0,0|2,0,0]=4 9350 B11R0.40 CCCCCCCNC(C)CC cbf73479e36ba1e611759b8e20718943 [0,2,0,0,0,0|1,0,0]=3 9351 B11R0.40 CCCCCCCNC(C)CO 11186d32dbdc7c7240a14960e89c6d68 [0,2,0,0,0,0|2,0,0]=4 9352 B11R0.40 CCCCCCCN[C@@H](C)CC 4d47df41fb10c25db19b8d789bb0fa39 [0,2,0,0,0,0|1,0,0]=3 9353 B11R0.40 CCCCCCCN[C@@H](C)CO 2e828866cd2ec0f76bc74f9725d50eb5 [0,2,0,0,0,0|2,0,0]=4 9354 B11R0.40 CCCCCCCN[C@H](C)C=O 3ac57272b4af2f67d6e154af9f11b2cb [0,2,0,0,0,0|2,0,0]=4 9355 B11R0.40 CCCCCCCN[C@H](C)CC 14a2672f5da39dc9903f0a993d430a49 [0,2,0,0,0,0|1,0,0]=3 9356 B11R0.40 CCCCCCCN[C@H](C)CO 2ed6ae1c070d9c3e4b9dc61528b39162 [0,2,0,0,0,0|2,0,0]=4 9357 B11R0.40 CCCCCCCOC(C)C#N 9a519bc6115f67e125da5b2c27bdae38 [0,2,0,0,0,0|2,0,0]=4 9358 B11R0.40 CCCCCCCOC(C)C=O ce702fa237a479f3af9593c724616c46 [0,2,0,0,0,0|2,0,0]=4 9359 B11R0.40 CCCCCCCOC(C)CC 6f462436b85702b86a9a4948e40c840e [0,2,0,0,0,0|1,0,0]=3 9360 B11R0.40 CCCCCCCOC(C)CF d3b29487a7d9a16b483da76cbfae9baa [0,2,0,0,0,0|2,0,0]=4 9361 B11R0.40 CCCCCCCOC(C)CS 558ca5371db98ed35d92b910f3c7ea21 [0,2,0,0,0,0|2,0,0]=4 9362 B11R0.40 CCCCCCCO[C@@H](C)CC 073eaf419c183bb22e5eb4ff3e2d3471 [0,2,0,0,0,0|1,0,0]=3 9363 B11R0.40 CCCCCCCO[C@H](C)C=O 691ec2d9703b4e379442bde1f5a65178 [0,2,0,0,0,0|2,0,0]=4 9364 B11R0.40 CCCCCCCO[C@H](C)CC 18dcc9c6d5a544923dca00cfdcd1a71c [0,2,0,0,0,0|1,0,0]=3 9365 B11R0.40 CCCCCCCO[C@H](C)CS 262f2641ff5dd449dd868e37712c3e7a [0,2,0,0,0,0|2,0,0]=4 9366 B11R0.40 CCCCCCNCC(=O)CC c8e5732d0f65da9c5c5b2a092b9f01ac [0,2,0,0,0,0|1,0,1]=4 9367 B11R0.40 CCCCCCNCC(Br)CBr 88c1cb96b11594e3ea219f79e0f7c4d6 [0,2,0,0,0,0|2,0,0]=4 9368 B11R0.40 CCCCCCNCC(C)C#N 1a1aa8151294f474ee1fe8e95c9ba7c2 [0,2,0,0,0,0|2,0,0]=4 9369 B11R0.40 CCCCCCNCC(C)CC 541b7f09f955a295f497677498488eff [0,2,0,0,0,0|1,0,0]=3 9370 B11R0.40 CCCCCCNCC(C)CO cf0dea6bd5913beddb6515e445f99f79 [0,2,0,0,0,0|2,0,0]=4 9371 B11R0.40 CCCCCCNCC(C)OC 0cff621ac604a8bce9e3d9429b7785c4 [0,2,0,0,0,0|2,0,0]=4 9372 B11R0.40 CCCCCCNCC(F)CO d6a8e8760a6d8b374a472cfd73c264c4 [0,2,0,0,0,0|2,0,0]=4 9373 B11R0.40 CCCCCCNCC(O)CC 8d7147a52bf4359b8af3bb3315b09e14 [0,2,0,0,0,0|1,0,0]=3 9374 B11R0.40 CCCCCCNCC(O)CF 60bb4cfb3a08d5895213f451640b3788 [0,2,0,0,0,0|2,0,0]=4 9375 B11R0.40 CCCCCCNCC(O)CO db7d7ddc5e0415102c6ef78dcb41df40 [0,2,0,0,0,0|2,0,0]=4 9376 B11R0.40 CCCCCCNC[C@@H](C)CC 68d4edba159cbba4ff5b87a512eb6242 [0,2,0,0,0,0|1,0,0]=3 9377 B11R0.40 CCCCCCNC[C@@H](C)CO fc1cd6b385021207c9f5ddc2eb42a052 [0,2,0,0,0,0|2,0,0]=4 9378 B11R0.40 CCCCCCNC[C@@H](C)OC 7c4b121f35ac8a52cba607f05a6e7573 [0,2,0,0,0,0|2,0,0]=4 9379 B11R0.40 CCCCCCNC[C@@H](F)CO 81010159413625c27f9dcae6cec8511d [0,2,0,0,0,0|2,0,0]=4 9380 B11R0.40 CCCCCCNC[C@@H](O)CO 4631a41a8e7b23c621f4060433d7943c [0,2,0,0,0,0|2,0,0]=4 9381 B11R0.40 CCCCCCNC[C@H](C)CC 065ef90959e43fd4f4e87f8da4861551 [0,2,0,0,0,0|1,0,0]=3 9382 B11R0.40 CCCCCCNC[C@H](C)CO 6305c36cb8a89ed146b5b0f448427b56 [0,2,0,0,0,0|2,0,0]=4 9383 B11R0.40 CCCCCCNC[C@H](C)OC bf1ce180e50f8f2b920876a6b3eeeddc [0,2,0,0,0,0|2,0,0]=4 9384 B11R0.40 CCCCCCNC[C@H](F)CO 1d1b1beea0723c5dcc24dd722009e7bb [0,2,0,0,0,0|2,0,0]=4 9385 B11R0.40 CCCCCCNC[C@H](O)CC a1477a4b6223f7e58a557f5938808421 [0,2,0,0,0,0|1,0,0]=3 9386 B11R0.40 CCCCCCNC[C@H](O)CO 9bffc38446f234d6651d93db9c62cc8a [0,2,0,0,0,0|2,0,0]=4 9387 B11R0.40 CCCCCCOCC(=O)CC adcf10a6b79c1dbe703e4ef32ea4d479 [0,2,0,0,0,0|0,0,1]=3 9388 B11R0.40 CCCCCCOCC(=O)NC 36fff55613dedf0508c95b9965e07157 [0,2,0,0,0,0|1,0,1]=4 9389 B11R0.40 CCCCCCOCC(=O)OC 09bff5c54ea2c2317e4ffa1248f416e4 [0,2,0,0,0,0|1,0,1]=4 9390 B11R0.40 CCCCCCOCC(Br)CBr a147e78afb0511d5f06c7a08bacb05e4 [0,2,0,0,0,0|1,0,0]=3 9391 B11R0.40 CCCCCCOCC(C)C#N e7d6aa5a25a58312dc794a62c21d3ac0 [0,2,0,0,0,0|1,0,1]=4 9392 B11R0.40 CCCCCCOCC(C)CC 294c1888133227e411be7da45a70fe59 [0,2,0,0,0,0|0,0,0]=2 9393 B11R0.40 CCCCCCOCC(C)OC a0fa230585bca5f2e00c13371d45b4f7 [0,2,0,0,0,0|1,0,0]=3 9394 B11R0.40 CCCCCCOCC(Cl)CCl 078a3b7279a5872d1d7cb665b3bccb3e [0,2,0,0,0,0|1,0,0]=3 9395 B11R0.40 CCCCCCOCC(O)CO ddf18778675217e7bedbbd4889e96847 [0,2,0,0,0,0|1,0,0]=3 9396 B11R0.40 CCCCCCOCC(S)CS a7a79bb999c7964a9f8ed5e23c6c3d60 [0,2,0,0,0,0|1,0,0]=3 9397 B11R0.40 CCCCCCOC[C@@H](C)CC 7a34854015376dd35c76611247837dcd [0,2,0,0,0,0|0,0,0]=2 9398 B11R0.40 CCCCCCOC[C@@H](C)OC eea6b16218526f0f26da2e08c85b1bb6 [0,2,0,0,0,0|1,0,0]=3 9399 B11R0.40 CCCCCCOC[C@@H](O)CO 4d2a9898ffd605a1a0642c3fd8b092c2 [0,2,0,0,0,0|1,0,0]=3 9400 B11R0.40 CCCCCCOC[C@H](C)CC 53fba9bfd93796feed62ca3c5d4edcf4 [0,2,0,0,0,0|0,0,0]=2 9401 B11R0.40 CCCCCCOC[C@H](C)OC 30171bb57d76d51c5ab163cee13542db [0,2,0,0,0,0|1,0,0]=3 9402 B11R0.40 CCCCCCOC[C@H](O)CO a86fe3adbba81d9c2d7853bccbcc0904 [0,2,0,0,0,0|1,0,0]=3 9403 B11R0.40 CCCCCNCCC(=O)NC bf2880d61bf311927f37d9459b95311c [0,2,0,0,0,0|1,0,1]=4 9404 B11R0.40 CCCCCNCCC(=O)OC 528d03f621767c5da7a29df90a9b38b7 [0,2,0,0,0,0|1,0,1]=4 9405 B11R0.40 CCCCCNCCC(C)CC 7efbe37420e7d5b3a18b7f39fe4cbeaf [0,2,0,0,0,0|1,0,0]=3 9406 B11R0.40 CCCCCNCCC(C)CO 733814c2dbc4e40dc11ccb8ff86576c0 [0,2,0,0,0,0|1,0,0]=3 9407 B11R0.40 CCCCCNCCC(O)CO bb0917424ca5e15763a892df5cc68355 [0,2,0,0,0,0|1,0,0]=3 9408 B11R0.40 CCCCCNCCS(=O)CC 8ec86ef55a81575ed6017118bae7a05d [0,2,0,0,0,0|1,0,0]=3 9409 B11R0.40 CCCCCNCC[C@@H](C)CO 14e8630a92053f727b05e3015c67297a [0,2,0,0,0,0|1,0,0]=3 9410 B11R0.40 CCCCCNCOC(=O)CC 738d6b861ce276b5e51842c47cb9a606 [0,2,0,0,0,0|1,0,1]=4 9411 B11R0.40 CCCCCOCCC(=O)NC d53a8d398531b211866f279fd03bc27d [0,2,0,0,0,0|0,0,1]=3 9412 B11R0.40 CCCCCOCCC(=O)OC ccac832df9f8c79f4c2f2e191d935c4d [0,2,0,0,0,0|0,0,1]=3 9413 B11R0.40 CCCCCOCCC(C)CC c10d1656defe703f434023c5a1bb92ff [0,2,0,0,0,0|0,0,0]=2 9414 B11R0.40 CCCCCOCCC(C)OC 351a585c2a253ba5482a00c521169e7f [0,2,0,0,0,0|0,0,0]=2 9415 B11R0.40 CCCCCOCCC(S)CC e331296611058aa1dca14e229a74c042 [0,2,0,0,0,0|0,0,0]=2 9416 B11R0.40 CCCCCOCCN(C)C#N c7e88ad4c3ad2447b2dc9acb6ce23e36 [0,2,0,0,0,0|1,0,0]=3 9417 B11R0.40 CCCCCOCCN(C)C=O 4a3b416200e68e3b583c4cf49622eb55 [0,2,0,0,0,0|1,0,0]=3 9418 B11R0.40 CCCCCOCC[C@@H](C)CC e0884056c20e86a80ec7410fcdbe7ca3 [0,2,0,0,0,0|0,0,0]=2 9419 B11R0.40 CCCCCOCOC(=O)CC 1566d44e71376e77797064cfeb4bdbd4 [0,2,0,0,0,0|0,0,1]=3 9420 B11R0.40 CCCCCOCOC(=O)OC 8437c1266fb81e44453bd4eda59a8fa6 [0,2,0,0,0,0|1,0,1]=4 9421 B11R0.40 CCCCNCCCC(=O)NC 5ab58c06c9aebec88dfab837bc396f59 [0,2,0,0,0,0|1,0,1]=4 9422 B11R0.40 CCCCNCCCC(=O)OC af4a3bbabc42a3dd3e1785630a7ed514 [0,2,0,0,0,0|1,0,1]=4 9423 B11R0.40 CCCCNCCCC(C)CO cd70668888afa3bd15a67434b1530b13 [0,2,0,0,0,0|1,0,0]=3 9424 B11R0.40 CCCCNCCCN(C)CC 8ff6992ff73d7d9de28e6e0c0640808d [0,2,0,0,0,0|1,0,0]=3 9425 B11R0.40 CCCCNCCNC(=O)CC eafd4f313dd1c9da61b2b14982bece7b [0,2,0,0,0,0|1,0,1]=4 9426 B11R0.40 CCCCNCCOC(C)C#N d6b98e8c6a13ffa08a3974d51ec912d0 [0,2,0,0,0,0|2,0,0]=4 9427 B11R0.40 CCCCOCCCC(=O)NC c2d274710c85b38a446478cdb547f403 [0,2,0,0,0,0|0,0,1]=3 9428 B11R0.40 CCCCOCCCC(=O)OC 2c00c25d55f4aed289459825ca6caf67 [0,2,0,0,0,0|0,0,1]=3 9429 B11R0.40 CCCCOCCCC(C)CC fdc21db0a6b52d06816d039b3c2c0598 [0,2,0,0,0,0|0,0,0]=2 9430 B11R0.40 CCCCOCCCN(C)CC 24084a2a6011e8fff1a5288c645b3486 [0,2,0,0,0,0|0,0,0]=2 9431 B11R0.40 CCCCOCCC[C@@H](C)CC 469947569426a21ca95d00148d90fdb3 [0,2,0,0,0,0|0,0,0]=2 9432 B11R0.40 CCCCOCCNC(=O)CC e75a887cb4393e27da632a529a3d90a7 [0,2,0,0,0,0|0,0,1]=3 9433 B11R0.40 CCCCOCCNC(=O)CF bb586d0c0eed4b850113097bb31ae11b [0,2,0,0,0,0|1,0,1]=4 9434 B11R0.40 CCCCOCCNC(=O)CO 46d63bbe6e95cb3021fbf39dbedf64e4 [0,2,0,0,0,0|1,0,1]=4 9435 B11R0.40 CCCCOCCNC(=O)CS 38f4e9916264f14dafa72c5b17761622 [0,2,0,0,0,0|1,0,1]=4 9436 B11R0.40 CCCCOCCNC(C)C#N 695733cee4ff9370435897db5dd7ae6d [0,2,0,0,0,0|1,0,0]=3 9437 B11R0.40 CCCCOCCNC(C)C=O 4fe0531da1fccde282b1b89cddc3ec41 [0,2,0,0,0,0|1,0,0]=3 9438 B11R0.40 CCCCOCCNC(C)CC 2ad18a7530cdb41a8c96c481894ffbb3 [0,2,0,0,0,0|0,0,0]=2 9439 B11R0.40 CCCCOCCNC(C)CO 8e2d0d9a788d13400061cc3ce5e13118 [0,2,0,0,0,0|1,0,0]=3 9440 B11R0.40 CCCCOCCN[C@@H](C)CC 2d6ed37afd1974444ef8971d2c2f7715 [0,2,0,0,0,0|0,0,0]=2 9441 B11R0.40 CCCCOCCN[C@@H](C)CO 86a3cef291e451ced565cca62d840204 [0,2,0,0,0,0|1,0,0]=3 9442 B11R0.40 CCCCOCCN[C@H](C)C=O b53db8866e78991a6da686a81e2dd2f9 [0,2,0,0,0,0|1,0,0]=3 9443 B11R0.40 CCCCOCCN[C@H](C)CC ddf0425e26710f763f7602b740759e78 [0,2,0,0,0,0|0,0,0]=2 9444 B11R0.40 CCCCOCCN[C@H](C)CO 47fa842d17fc37c6508735baf912d1e8 [0,2,0,0,0,0|1,0,0]=3 9445 B11R0.40 CCCCOCCOC(=O)CC 6522276dd406ffc521118952ffb4c4ea [0,2,0,0,0,0|0,0,1]=3 9446 B11R0.40 CCCCOCCOC(=O)OC b231bf275b01e991c727c5357c04f648 [0,2,0,0,0,0|1,0,1]=4 9447 B11R0.40 CCCCOCCOC(C)C#N a3acfd1610a8d591fd316b9df98b2e54 [0,2,0,0,0,0|1,0,0]=3 9448 B11R0.40 CCCCOCCOC(C)C=O e124703a19a6a972e8d1a48c5452fca1 [0,2,0,0,0,0|1,0,0]=3 9449 B11R0.40 CCCCOCCOC(C)CC 9237fbaad0e6eb5b12988b27db98ec5d [0,2,0,0,0,0|0,0,0]=2 9450 B11R0.40 CCCCOCCOC(C)CF dc75eaa0b6c5e56c690549ada6dafdcc [0,2,0,0,0,0|1,0,0]=3 9451 B11R0.40 CCCCOCCOC(C)CS 8dadf4fd93c7258d23659dd64ea27de3 [0,2,0,0,0,0|1,0,0]=3 9452 B11R0.40 CCCCOCCOC(F)C#N d82b6cae428b539a98e5dd5bc2b78b79 [0,2,0,0,0,0|1,0,1]=4 9453 B11R0.40 CCCCOCCO[C@@H](C)CC ac5e59820a6738b0baf48e009e2aad88 [0,2,0,0,0,0|0,0,0]=2 9454 B11R0.40 CCCCOCCO[C@H](C)C=O cc59a1922ddec6205da418775615d4ea [0,2,0,0,0,0|1,0,0]=3 9455 B11R0.40 CCCCOCCO[C@H](C)CC 6083ee7fb818d25b55dc69dba9f01eb6 [0,2,0,0,0,0|0,0,0]=2 9456 B11R0.40 CCCCOCCO[C@H](C)CS fb3ed2ad3f61eacce4a74dd8d8d2da9f [0,2,0,0,0,0|1,0,0]=3 9457 B11R0.40 CCCCOCNCC(=O)NC 616599147b30c3950bdb1b2fd39b4562 [0,2,0,0,0,0|1,0,1]=4 9458 B11R0.40 CCCCOCNCC(=O)OC 730d997397b70287e85ae8c4a8daeadc [0,2,0,0,0,0|1,0,1]=4 9459 B11R0.40 CCCCOCNCC(Br)CBr 3afc08dbf8bb6732d1e5e5447fe542a1 [0,2,0,0,0,0|1,0,0]=3 9460 B11R0.40 CCCCOCNCC(C)C#N fd20046fd43f42da7bde4bbb284db377 [0,2,0,0,0,0|1,0,0]=3 9461 B11R0.40 CCCCOCNCC(C)CC e47e56e03591422a5169878a1f0e230c [0,2,0,0,0,0|0,0,0]=2 9462 B11R0.40 CCCCOCNCC(C)CO 7c019f3e00433a8c311da42c8fabaf69 [0,2,0,0,0,0|1,0,0]=3 9463 B11R0.40 CCCCOCNCC(F)CO 4353ceabc0dda421a2feda286e7f4a19 [0,2,0,0,0,0|1,0,0]=3 9464 B11R0.40 CCCCOCNCC(O)CC d47e03d455646f1083b1673b1b146657 [0,2,0,0,0,0|0,0,0]=2 9465 B11R0.40 CCCCOCNCC(O)CO fe8bbedd03016c71d2fc8db8f301e185 [0,2,0,0,0,0|1,0,0]=3 9466 B11R0.40 CCCCOCNC[C@@H](C)CC 6d539e374a6ad4e186876f5f935b48e6 [0,2,0,0,0,0|0,0,0]=2 9467 B11R0.40 CCCCOCNC[C@@H](C)OC 9770fb15987de3cef414991e1c2e08cf [0,2,0,0,0,0|1,0,0]=3 9468 B11R0.40 CCCCOCNC[C@@H](F)CO 9efc84e1fef5b4a123a130aa41d28fd1 [0,2,0,0,0,0|1,0,0]=3 9469 B11R0.40 CCCCOCNC[C@@H](O)CO 063a7ec36084e2a11eee52fd12f32805 [0,2,0,0,0,0|1,0,0]=3 9470 B11R0.40 CCCCOCNC[C@H](C)CO f5e73f10099fcb42208500188ca09f8d [0,2,0,0,0,0|1,0,0]=3 9471 B11R0.40 CCCCOCNC[C@H](C)OC 9d472fec0db5a1b02a8d88ef452cb31a [0,2,0,0,0,0|1,0,0]=3 9472 B11R0.40 CCCCOCNC[C@H](F)CO 243910390cab2b20af1d401b0b7fcb67 [0,2,0,0,0,0|1,0,0]=3 9473 B11R0.40 CCCCOCNC[C@H](O)CC 4f977f028d2b7f9b83a1a2d2d521a416 [0,2,0,0,0,0|0,0,0]=2 9474 B11R0.40 CCCCOCNC[C@H](O)CO 3b4b7c49146470a05630b541c7895ad0 [0,2,0,0,0,0|1,0,0]=3 9475 B11R0.40 CCCCOCOC/C(=C/I)/C d5601abc0b2cebf37d4e05d81846fcea [0,2,0,0,0,0|1,0,1]=4 9476 B11R0.40 CCCCOCOCC(=CI)C a3b3b695f39cac028d32cc1ff022785e [0,2,0,0,0,0|1,0,1]=4 9477 B11R0.40 CCCCOCOCC(=O)CC 89e908693e91dd0d0e69177990ed0083 [0,2,0,0,0,0|0,0,1]=3 9478 B11R0.40 CCCCOCOCC(=O)NC 4b55806592c9b9b1a2f1a1bbf4f1bb36 [0,2,0,0,0,0|1,0,1]=4 9479 B11R0.40 CCCCOCOCC(=O)OC 946e25ac7c12d92c76f185574d681691 [0,2,0,0,0,0|1,0,1]=4 9480 B11R0.40 CCCCOCOCC(Br)CBr dcd653f24f8bd40df3ff2d55c80803de [0,2,0,0,0,0|1,0,0]=3 9481 B11R0.40 CCCCOCOCC(C)C#N f96609a86191f8305e0eba525f279716 [0,2,0,0,0,0|1,0,0]=3 9482 B11R0.40 CCCCOCOCC(C)CC 0295482db174ef9e6a36c7a38dca66c3 [0,2,0,0,0,0|0,0,0]=2 9483 B11R0.40 CCCCOCOCC(C)OC 1b74680cf356cd357991f40ca3f01d69 [0,2,0,0,0,0|1,0,0]=3 9484 B11R0.40 CCCCOCOCC(Cl)CCl 55fac550ca680849c65edce9bc0b3aa5 [0,2,0,0,0,0|1,0,0]=3 9485 B11R0.40 CCCCOCOCC(S)CS e5f364e823cc677f3755730cfb017252 [0,2,0,0,0,0|1,0,0]=3 9486 B11R0.40 CCCCOCOC[C@@H](C)CC 217cadecc19c90b54764d63e5f461744 [0,2,0,0,0,0|0,0,0]=2 9487 B11R0.40 CCCCOCOC[C@@H](C)OC 562dfc579e25e28204272bd464194ba4 [0,2,0,0,0,0|1,0,0]=3 9488 B11R0.40 CCCCOCOC[C@H](C)CC f43218f1559183b58ceafd1ef9c6970e [0,2,0,0,0,0|0,0,0]=2 9489 B11R0.40 CCCCOCOC[C@H](C)OC 02baec14c6191f84fc4ac60ffc74e269 [0,2,0,0,0,0|1,0,0]=3 9490 B11R0.40 CCCCSCCOC(C)C#N f416828d77f8a3a54376709b8a8cfc61 [0,2,0,0,0,0|1,1,0]=4 9491 B11R0.40 CCCCSCCOC(C)C=O 828ca854f2eb8f12766586a7cdc51da7 [0,2,0,0,0,0|1,1,0]=4 9492 B11R0.40 CCCCSCCOC(C)CC 60f58af6dff1da39b230429eb25198b0 [0,2,0,0,0,0|0,1,0]=3 9493 B11R0.40 CCCCSCCO[C@H](C)C=O a0a8c2eafe9ac1c1b92e17d41ace49b8 [0,2,0,0,0,0|1,1,0]=4 9494 B11R0.40 CCCNCCCCC(=O)CC a0ca041e30af7810958502bfc4beeb26 [0,2,0,0,0,0|1,0,1]=4 9495 B11R0.40 CCCNCCOCC(=O)OC 7d542560aee618cccb8ce15c1eff67f0 [0,2,0,0,0,0|1,0,1]=4 9496 B11R0.40 CCCOCCCCC(=O)CC 177be31e74ea458cdea2086674fce0ec [0,2,0,0,0,0|1,0,1]=4 9497 B11R0.40 CCCOCCCCC(C)CC a4fcb600c49b60d0b6063c4ec4509954 [0,2,0,0,0,0|1,0,0]=3 9498 B11R0.40 CCCOCCCC[C@@H](C)CC 97d26e78af044b2919709b8640615273 [0,2,0,0,0,0|1,0,0]=3 9499 B11R0.40 CCCOCCCNC(C)CC 739f599c8dca1106ee48bb7b506a9f2a [0,2,0,0,0,0|2,0,0]=4 9500 B11R0.40 CCCOCCCN[C@@H](C)CC d692a525d771b89a6fd5ee910df5c8ec [0,2,0,0,0,0|2,0,0]=4 9501 B11R0.40 CCCOCCCN[C@H](C)CC 30cdf00acd1185f97d13fcbdeab362ce [0,2,0,0,0,0|2,0,0]=4 9502 B11R0.40 CCCOCCCOC(C)CC 65dadc350a089cb55b32eca1a8ca8def [0,2,0,0,0,0|2,0,0]=4 9503 B11R0.40 CCCOCCCO[C@@H](C)CC 1520e6898f1e09a243debe9a16ce82b6 [0,2,0,0,0,0|2,0,0]=4 9504 B11R0.40 CCCOCCCO[C@H](C)CC 81eba50f21619d4a0f525d5776243815 [0,2,0,0,0,0|2,0,0]=4 9505 B11R0.40 CCCOCCNCC(=O)CC af6d8ece5f96f6d5993dca91750c6331 [0,2,0,0,0,0|1,0,1]=4 9506 B11R0.40 CCCOCCNCC(Br)CBr a8cb947edd042b86d56d1ec2429ceb58 [0,2,0,0,0,0|2,0,0]=4 9507 B11R0.40 CCCOCCNCC(C)CC 02d7ca0cc3578a396ef2848af759e482 [0,2,0,0,0,0|1,0,0]=3 9508 B11R0.40 CCCOCCNCC(C)CO 1331bf4e167f71f80a1d4f6582184472 [0,2,0,0,0,0|2,0,0]=4 9509 B11R0.40 CCCOCCNCC(C)OC ecf0105134625b8f2ea76ea7f419b68c [0,2,0,0,0,0|2,0,0]=4 9510 B11R0.40 CCCOCCNCC(F)CO 013fc3dfdad43e39a54b37fbee98e703 [0,2,0,0,0,0|2,0,0]=4 9511 B11R0.40 CCCOCCNCC(O)CC 61a00818aa174c679bc66a7bb44e0089 [0,2,0,0,0,0|1,0,0]=3 9512 B11R0.40 CCCOCCNCC(O)CF a036f93cbf3435eb74879f0a6e1aa55f [0,2,0,0,0,0|2,0,0]=4 9513 B11R0.40 CCCOCCNCC(O)CO a6f7d499a47b8f652da1691699fb100b [0,2,0,0,0,0|2,0,0]=4 9514 B11R0.40 CCCOCCNC[C@@H](C)CC 859e82a4b30460048bf6e993b05a32c6 [0,2,0,0,0,0|1,0,0]=3 9515 B11R0.40 CCCOCCNC[C@@H](C)CO 68a300e075b4378d24f04d61a528a50d [0,2,0,0,0,0|2,0,0]=4 9516 B11R0.40 CCCOCCNC[C@@H](C)OC f0064dc6388521931f34eceb6c4710d8 [0,2,0,0,0,0|2,0,0]=4 9517 B11R0.40 CCCOCCNC[C@@H](F)CO 20541cfe304b838cbbc1b9135cc6d03b [0,2,0,0,0,0|2,0,0]=4 9518 B11R0.40 CCCOCCNC[C@@H](O)CO 2d3804ee6b64e1dddfacdaa2deb5f464 [0,2,0,0,0,0|2,0,0]=4 9519 B11R0.40 CCCOCCNC[C@H](C)CC edf70b6bb2eb13144ca0ac54c4e420ec [0,2,0,0,0,0|1,0,0]=3 9520 B11R0.40 CCCOCCNC[C@H](C)CO 9d94c9187763c7f3e2a431898dd70755 [0,2,0,0,0,0|2,0,0]=4 9521 B11R0.40 CCCOCCNC[C@H](C)OC d95671594eb7c0d93eeb154577608bf4 [0,2,0,0,0,0|2,0,0]=4 9522 B11R0.40 CCCOCCNC[C@H](F)CO 78c7871fde08ad8d9a05f5a6b57a60d1 [0,2,0,0,0,0|2,0,0]=4 9523 B11R0.40 CCCOCCNC[C@H](O)CC e266c6d612325d24a86c04a5f52164ca [0,2,0,0,0,0|1,0,0]=3 9524 B11R0.40 CCCOCCNC[C@H](O)CO 01163a0e8e8b8ac2a6fb207e49dc9184 [0,2,0,0,0,0|2,0,0]=4 9525 B11R0.40 CCCOCCOCC(=O)CC 723ec6dd1a32570a19662d1e12346296 [0,2,0,0,0,0|0,0,1]=3 9526 B11R0.40 CCCOCCOCC(=O)NC faa395813f7f435b9e71ac3a336b018c [0,2,0,0,0,0|1,0,1]=4 9527 B11R0.40 CCCOCCOCC(=O)OC 64aebb87f3244a9d7b7f06c29592a387 [0,2,0,0,0,0|1,0,1]=4 9528 B11R0.40 CCCOCCOCC(Br)CBr d7420991f03fb8b052c6a5dd57791edc [0,2,0,0,0,0|1,0,0]=3 9529 B11R0.40 CCCOCCOCC(C)C#N 86fe7ffe5bcaf0150569d685cdf310d9 [0,2,0,0,0,0|1,0,1]=4 9530 B11R0.40 CCCOCCOCC(C)CC 23905675ad629848afe996f6fa1e1c10 [0,2,0,0,0,0|0,0,0]=2 9531 B11R0.40 CCCOCCOCC(C)OC e856eb3b4bf0273f02906598052dd6c4 [0,2,0,0,0,0|1,0,0]=3 9532 B11R0.40 CCCOCCOCC(Cl)CCl 5303b6bdc23aa4a251503a5b1a416b04 [0,2,0,0,0,0|1,0,0]=3 9533 B11R0.40 CCCOCCOCC(O)CO 8b38c02e87c91d57befc4c5f3604ebba [0,2,0,0,0,0|1,0,0]=3 9534 B11R0.40 CCCOCCOCC(S)CS d553e6b0c7ccbd073aa437b19ec58a53 [0,2,0,0,0,0|1,0,0]=3 9535 B11R0.40 CCCOCCOC[C@@H](C)CC 39e30c9a0cf88fea98437a4adfd5cf63 [0,2,0,0,0,0|0,0,0]=2 9536 B11R0.40 CCCOCCOC[C@@H](C)OC 4c1414223c9dfa6efac5f415d856ef22 [0,2,0,0,0,0|1,0,0]=3 9537 B11R0.40 CCCOCCOC[C@@H](O)CO 8200a7c01d6f5011641451eed7a60597 [0,2,0,0,0,0|1,0,0]=3 9538 B11R0.40 CCCOCCOC[C@H](C)CC b7e63a66c91877105cd7467b3c5962af [0,2,0,0,0,0|0,0,0]=2 9539 B11R0.40 CCCOCCOC[C@H](C)OC 25763a249d89448844231de598a4211f [0,2,0,0,0,0|1,0,0]=3 9540 B11R0.40 CCCOCCOC[C@H](O)CO 723978e4e7cc246f370ee5df95489825 [0,2,0,0,0,0|1,0,0]=3 9541 B11R0.40 CCCSCCOCC(=O)CC d2067d23d0e94c02b501473ae1f752be [0,2,0,0,0,0|0,0,1]=3 9542 B11R0.40 CCCSCCOCC(=O)NC d89728054d6897369246b7981ce18df3 [0,2,0,0,0,0|1,0,1]=4 9543 B11R0.40 CCCSCCOCC(=O)OC bfd9150e07503b75f145ebf21333d513 [0,2,0,0,0,0|1,0,1]=4 9544 B11R0.40 CCCSCCOCC(C)C#N 0a87112a174e7d2d5bea2dd0be5d4ff6 [0,2,0,0,0,0|1,0,1]=4 9545 B11R0.40 CCCSCCOCC(C)CC 439c059fc232ec8866f448e4dbdf82f2 [0,2,0,0,0,0|0,0,0]=2 9546 B11R0.40 CCCSCCOCC(C)OC 21693889801ffa1ca5481fab2936fd72 [0,2,0,0,0,0|1,0,0]=3 9547 B11R0.40 CCCSCCOCC(O)CO d6a064a2a50d974e69136b1b74e37730 [0,2,0,0,0,0|1,0,0]=3 9548 B11R0.40 CCCSCCOC[C@@H](C)CC dc3fc5eb975baf94a28dd77c9dee91fd [0,2,0,0,0,0|0,0,0]=2 9549 B11R0.40 CCCSCCOC[C@@H](C)OC da54b9a534760bf89e82c9709c04db1a [0,2,0,0,0,0|1,0,0]=3 9550 B11R0.40 CCCSCCOC[C@@H](O)CO 4b87ffd4445493ed72033fffd64103fd [0,2,0,0,0,0|1,0,0]=3 9551 B11R0.40 CCCSCCOC[C@H](C)CC c15b871556ddb65a4a15e9e3ba367118 [0,2,0,0,0,0|0,0,0]=2 9552 B11R0.40 CCCSCCOC[C@H](C)OC 52a47e771fc3a40af8184c5b5b53f1ba [0,2,0,0,0,0|1,0,0]=3 9553 B11R0.40 CCCSCCOC[C@H](O)CO de1173ea8f3aca318e42112ecaf2d25f [0,2,0,0,0,0|1,0,0]=3 9554 B11R0.40 CCN(C)CCCCCCCO c2bb6585c3974fdcef6e90549ca1477c [0,2,0,0,0,0|2,0,0]=4 9555 B11R0.40 CCN(C)CCCCCCOC 73d3b4b7cc9248a975c48eb9900e4195 [0,2,0,0,0,0|2,0,0]=4 9556 B11R0.40 CCN(C)CCCNCCCF 5b70e11a2af1eaa56dfac479c77d1187 [0,2,0,0,0,0|2,0,0]=4 9557 B11R0.40 CCN(C)CCCNCCCO 334f1a3c1a62bf32e604fbec9694cbca [0,2,0,0,0,0|2,0,0]=4 9558 B11R0.40 CCN(C)CCCNCCCS c70b4eee1fde9b3a1238f9ad6a133e19 [0,2,0,0,0,0|2,0,0]=4 9559 B11R0.40 CCN(C)CCCNCCOC 4b84cb465092df451c80362f50d5a21f [0,2,0,0,0,0|2,0,0]=4 9560 B11R0.40 CCN(C)CCCNCCSC 89730d1f7fbb5d55bb2019e695c34c91 [0,2,0,0,0,0|2,0,0]=4 9561 B11R0.40 CCN(C)CCCOCCC#N 82ea61168b5f5ae21f25246a534523dc [0,2,0,0,0,0|1,0,1]=4 9562 B11R0.40 CCN(C)CCCOCCC=O 1756370cbbae9de96e90b0eaecb07d14 [0,2,0,0,0,0|1,0,1]=4 9563 B11R0.40 CCN(C)CCCOCCCF 249ab67a30ffad598b898cfe7984b667 [0,2,0,0,0,0|1,0,0]=3 9564 B11R0.40 CCN(C)CCCOCCCO 3a239900b08aac26898319d827b31104 [0,2,0,0,0,0|1,0,0]=3 9565 B11R0.40 CCN(C)CCCOCCCS 1ff7717431946c2697cb98e6dbc37620 [0,2,0,0,0,0|1,0,0]=3 9566 B11R0.40 CCN(C)CCCOCCOC cce7e926be0a4c29e57d3440ee49d4a8 [0,2,0,0,0,0|1,0,0]=3 9567 B11R0.40 CCN(C)CCCOCCSC 1bf4d1858bae8fd2c5f6ab653ef141c6 [0,2,0,0,0,0|1,0,0]=3 9568 B11R0.40 CCN(C)CCOCCOCF 08ee33661b00195cb97b6325b3dc6048 [0,2,0,0,0,0|2,0,0]=4 9569 B11R0.40 CCOCCCCCC(C)CC 16c8baaa4ed54d8202ffa3a03e7be5ba [0,2,0,0,0,0|1,0,0]=3 9570 B11R0.40 CCOCCCCC[C@@H](C)CC 2926b2af0298b0f410e612451c0a6338 [0,2,0,0,0,0|1,0,0]=3 9571 B11R0.40 CCOCCCNCC(=O)CC 4f4839c9cf33d5a6041ac0e17d66aa31 [0,2,0,0,0,0|1,0,1]=4 9572 B11R0.40 CCOCCCNCC(Br)CBr 3f424b2394ecf883f86d20861e4070ec [0,2,0,0,0,0|2,0,0]=4 9573 B11R0.40 CCOCCCNCC(C)CC ba7aeca14765843e5b5f7da5be1919cd [0,2,0,0,0,0|1,0,0]=3 9574 B11R0.40 CCOCCCNCC(C)CO 0062dde5644eb16f1f6f9749137efe7b [0,2,0,0,0,0|2,0,0]=4 9575 B11R0.40 CCOCCCNCC(C)OC 6f8686fa6ed948173910a42fd677a1aa [0,2,0,0,0,0|2,0,0]=4 9576 B11R0.40 CCOCCCNCC(F)CO b2ebf254009e8a544c5caeb8acc6e474 [0,2,0,0,0,0|2,0,0]=4 9577 B11R0.40 CCOCCCNCC(O)CC 0d4fdeb43f066fa6c273906c56caa63a [0,2,0,0,0,0|1,0,0]=3 9578 B11R0.40 CCOCCCNCC(O)CF 2e95246d46f0dbd25edb1301ffb0904f [0,2,0,0,0,0|2,0,0]=4 9579 B11R0.40 CCOCCCNCC(O)CO 18fc5708531a7645e0b91aaecc05a8ca [0,2,0,0,0,0|2,0,0]=4 9580 B11R0.40 CCOCCCNC[C@@H](C)CC e6aec3ec21eee7aa91863a2037597e54 [0,2,0,0,0,0|1,0,0]=3 9581 B11R0.40 CCOCCCNC[C@@H](C)CO 1c020e7dbe7bf58c7eb9d129162d2bb4 [0,2,0,0,0,0|2,0,0]=4 9582 B11R0.40 CCOCCCNC[C@@H](C)OC b7add0430594180e51a45891401b0bfb [0,2,0,0,0,0|2,0,0]=4 9583 B11R0.40 CCOCCCNC[C@@H](F)CO 94783607c02c0c9f0d6f66808ed6788e [0,2,0,0,0,0|2,0,0]=4 9584 B11R0.40 CCOCCCNC[C@@H](O)CO 5ced41b0430407b1262bdf6ab8e69342 [0,2,0,0,0,0|2,0,0]=4 9585 B11R0.40 CCOCCCNC[C@H](C)CC f2ce6605c2a229c4b3cd8120653a98bc [0,2,0,0,0,0|1,0,0]=3 9586 B11R0.40 CCOCCCNC[C@H](C)CO 7553407c8b0f0811f54a6b9f9a665f52 [0,2,0,0,0,0|2,0,0]=4 9587 B11R0.40 CCOCCCNC[C@H](C)OC 2350c34956bd373f9006c942095b2939 [0,2,0,0,0,0|2,0,0]=4 9588 B11R0.40 CCOCCCNC[C@H](F)CO 999185d61da19520fd6d181fffc887db [0,2,0,0,0,0|2,0,0]=4 9589 B11R0.40 CCOCCCNC[C@H](O)CC e0823e4afb32549e4d44b1514c074964 [0,2,0,0,0,0|1,0,0]=3 9590 B11R0.40 CCOCCCNC[C@H](O)CO 3424e623892f26484ba3b4f8c109bd4c [0,2,0,0,0,0|2,0,0]=4 9591 B11R0.40 CCOCCCOCC(=O)CC 9c1461ad3db61a1f493b386fb087b9cc [0,2,0,0,0,0|0,0,1]=3 9592 B11R0.40 CCOCCCOCC(=O)NC 614e23071f34b17a173bf4898b942683 [0,2,0,0,0,0|1,0,1]=4 9593 B11R0.40 CCOCCCOCC(=O)OC 57dddf421e069c47297be6f52caa57fc [0,2,0,0,0,0|1,0,1]=4 9594 B11R0.40 CCOCCCOCC(Br)CBr ec54dd7c1de6ec5381755db06a7a9a9a [0,2,0,0,0,0|1,0,0]=3 9595 B11R0.40 CCOCCCOCC(C)C#N 2cecf3e4e24fd508511ba0c2f3e30637 [0,2,0,0,0,0|1,0,1]=4 9596 B11R0.40 CCOCCCOCC(C)CC f37ed7d9a227d13d5634ff1da71a6778 [0,2,0,0,0,0|0,0,0]=2 9597 B11R0.40 CCOCCCOCC(C)OC cc47c863669c30717aef4cde8d8e6723 [0,2,0,0,0,0|1,0,0]=3 9598 B11R0.40 CCOCCCOCC(Cl)CCl 89bd0fccd784e392ea3652db619b0181 [0,2,0,0,0,0|1,0,0]=3 9599 B11R0.40 CCOCCCOCC(O)CO e44b0dfb0e2293a41dc6d0b91db1e785 [0,2,0,0,0,0|1,0,0]=3 9600 B11R0.40 CCOCCCOCC(S)CS b0b7561b631f7fd0bb46fc62e8b1e51b [0,2,0,0,0,0|1,0,0]=3 9601 B11R0.40 CCOCCCOC[C@@H](C)CC 2d7b84e0a7206d5d52c56fbe3eba5260 [0,2,0,0,0,0|0,0,0]=2 9602 B11R0.40 CCOCCCOC[C@@H](C)OC cecc1e3156333686de3bb60351eaece8 [0,2,0,0,0,0|1,0,0]=3 9603 B11R0.40 CCOCCCOC[C@@H](O)CO c22dcec846bec09fe8d6927660af123a [0,2,0,0,0,0|1,0,0]=3 9604 B11R0.40 CCOCCCOC[C@H](C)CC 4a73d16f6aad0d2bd7e00ce3bc91e244 [0,2,0,0,0,0|0,0,0]=2 9605 B11R0.40 CCOCCCOC[C@H](C)OC be7cf9b4ed04f7c9533c8ad524a6775f [0,2,0,0,0,0|1,0,0]=3 9606 B11R0.40 CCOCCCOC[C@H](O)CO 976d6a1dea38d5660499f3338d014b1d [0,2,0,0,0,0|1,0,0]=3 9607 B11R0.40 CCOCCNCCC(C)CC 3584a03cf5a4ec574855b68dded7a455 [0,2,0,0,0,0|1,0,0]=3 9608 B11R0.40 CCOCCNCCC(C)CO cfbd89b05ce854fb7f8629b64d5a3650 [0,2,0,0,0,0|2,0,0]=4 9609 B11R0.40 CCOCCNCCC(O)CO 6299896585592d39da029a9edb5f0a81 [0,2,0,0,0,0|2,0,0]=4 9610 B11R0.40 CCOCCNCCS(=O)CC 4d08077e79430f93c2e953d6b8fe4461 [0,2,0,0,0,0|2,0,0]=4 9611 B11R0.40 CCOCCNCC[C@@H](C)CO e74319bf28b80b5b40b644a275fc1a6a [0,2,0,0,0,0|2,0,0]=4 9612 B11R0.40 CCOCCOCCC(=O)NC 23bacdb097a09742d298f3766dbb8de5 [0,2,0,0,0,0|1,0,1]=4 9613 B11R0.40 CCOCCOCCC(=O)OC b15bdf82e04bdb738b2e374226a2be54 [0,2,0,0,0,0|1,0,1]=4 9614 B11R0.40 CCOCCOCCC(C)CC c24d1a8ddc5ecd3a2c760f2d7d720cff [0,2,0,0,0,0|0,0,0]=2 9615 B11R0.40 CCOCCOCCC(C)OC b932fdb784586936a8fbe9fd47e78ef5 [0,2,0,0,0,0|1,0,0]=3 9616 B11R0.40 CCOCCOCCC(S)CC 69be94156d73e934851ca0d8456a6640 [0,2,0,0,0,0|0,0,0]=2 9617 B11R0.40 CCOCCOCCN(C)C#N 1524762a793abf094961624e1981a481 [0,2,0,0,0,0|2,0,0]=4 9618 B11R0.40 CCOCCOCCN(C)C=O cbe09eaac7ca3d39e64f19db2d7ff7db [0,2,0,0,0,0|2,0,0]=4 9619 B11R0.40 CCOCCOCCN(C)CC eb4a14ae75a0d50fcf508fcf50eaa7f3 [0,2,0,0,0,0|1,0,0]=3 9620 B11R0.40 CCOCCOCCN(C)CF 9006bf559741bb703348df9c766768c3 [0,2,0,0,0,0|2,0,0]=4 9621 B11R0.40 CCOCCOCCN(C)CO 94be990620da1bbd2393bfbc41e7accf [0,2,0,0,0,0|2,0,0]=4 9622 B11R0.40 CCOCCOCCS(=O)CC 054443da59290f578a27b6faaf0f3b45 [0,2,0,0,0,0|1,0,0]=3 9623 B11R0.40 CCOCCOCC[C@@H](C)CC 061892b492bb3171f8daeb8ae2c9b111 [0,2,0,0,0,0|0,0,0]=2 9624 B11R0.40 CCOCCOCOC(=O)CC 14b11f2a6b785936e749c9107d004c86 [0,2,0,0,0,0|1,0,1]=4 9625 B11R0.40 CCOCNCCCC(C)CO 66ed2b759c829b41a7741e97dd78b05f [0,2,0,0,0,0|2,0,0]=4 9626 B11R0.40 CCOCNCCCN(C)CC 8bdddff201a64ed833d224e85043575a [0,2,0,0,0,0|2,0,0]=4 9627 B11R0.40 CCOCOCCCC(=O)NC 012982faa3a83b15cdc051351f5c0aca [0,2,0,0,0,0|1,0,1]=4 9628 B11R0.40 CCOCOCCCC(C)CC 70af429d3bc2fed6e4369a9ea7a0fa9f [0,2,0,0,0,0|1,0,0]=3 9629 B11R0.40 CCOCOCCCN(C)CC b7050fc3b5596bff5e4b20ee5c1746c0 [0,2,0,0,0,0|1,0,0]=3 9630 B11R0.40 CCOCOCCC[C@@H](C)CC 55118c495bc599506d5b6bf702bb64e4 [0,2,0,0,0,0|1,0,0]=3 9631 B11R0.40 CCOCOCCNC(=O)CC fa84f7d85431dcb094a94f1a9c364114 [0,2,0,0,0,0|1,0,1]=4 9632 B11R0.40 CCOCOCCOC(=O)CC e36de657352983cd47255495a86710eb [0,2,0,0,0,0|1,0,1]=4 9633 B11R0.40 CCS(=O)CCNCCCCCl bfe564cb65024544cb7ac38e3f5796cf [0,2,0,0,0,0|2,0,0]=4 9634 B11R0.40 CCS(=O)CCNCCCCO 587b83a495da00510370d6bc639df1d0 [0,2,0,0,0,0|2,0,0]=4 9635 B11R0.40 CCS(=O)CCNCCCCS 51337d54f66267c4f1294ae1126d7a20 [0,2,0,0,0,0|2,0,0]=4 9636 B11R0.40 CCS(=O)CCNCCCOC 45de8a596e412bd17298b46d1a38f528 [0,2,0,0,0,0|2,0,0]=4 9637 B11R0.40 CCS(=O)CCOCCCC=O f2aeff3ffef405fe7d01666ae73ad7a4 [0,2,0,0,0,0|1,0,1]=4 9638 B11R0.40 CCS(=O)CCOCCCCF db7ad8eef6a07875f11df43beed269a8 [0,2,0,0,0,0|1,0,0]=3 9639 B11R0.40 CCS(=O)CCOCCCOC e1267d56cce81c0a0486bc2fad9823b3 [0,2,0,0,0,0|1,0,0]=3 9640 B11R0.40 CCS(=O)CCOCCCSC 4cef5fe06e54eb5cb15c650f1ef95596 [0,2,0,0,0,0|1,0,0]=3 9641 B11R0.40 CCSCCCCNC(C)CC 99607a71cfe7da6ff7f1d0fcb0145a25 [0,2,0,0,0,0|2,0,0]=4 9642 B11R0.40 CCSCCCNCC(Br)CBr 5378265b30eeb981fcfa27e9038ac9b1 [0,2,0,0,0,0|2,0,0]=4 9643 B11R0.40 CCSCCCNCC(C)CC 2a403d187ca55a1a52df6e8b4faae257 [0,2,0,0,0,0|1,0,0]=3 9644 B11R0.40 CCSCCCNCC(C)CO 9144e8101ddecec55fed915ab393883f [0,2,0,0,0,0|2,0,0]=4 9645 B11R0.40 CCSCCCNCC(F)CO e86f65c5bba70d416e8b3af0ac8a547e [0,2,0,0,0,0|2,0,0]=4 9646 B11R0.40 CCSCCCNCC(O)CC 3a7a4a5a4f447ed1c502fbf56142c99b [0,2,0,0,0,0|1,0,0]=3 9647 B11R0.40 CCSCCCNCC(O)CO 678a78ae49ed92e21239d35f1c13ce4c [0,2,0,0,0,0|2,0,0]=4 9648 B11R0.40 CCSCCCNC[C@@H](C)CC 1735cc701f916300391d6288c0f76af1 [0,2,0,0,0,0|1,0,0]=3 9649 B11R0.40 CCSCCCNC[C@@H](C)OC 5247de6c2b8119fb820679a73cb9eaf7 [0,2,0,0,0,0|2,0,0]=4 9650 B11R0.40 CCSCCCNC[C@@H](F)CO 2c3882f1562d6cd29b32520419e86cb0 [0,2,0,0,0,0|2,0,0]=4 9651 B11R0.40 CCSCCCNC[C@@H](O)CO 2bd024d9731bfb923b25bb61d6d958e8 [0,2,0,0,0,0|2,0,0]=4 9652 B11R0.40 CCSCCCNC[C@H](C)CO 7d030b38384d1d69d364edfb77f0049f [0,2,0,0,0,0|2,0,0]=4 9653 B11R0.40 CCSCCCNC[C@H](C)OC a0e8446b1a7533f84566cf0364b2891d [0,2,0,0,0,0|2,0,0]=4 9654 B11R0.40 CCSCCCNC[C@H](F)CO a9063742e47c9b72aa20d3b68f254a8f [0,2,0,0,0,0|2,0,0]=4 9655 B11R0.40 CCSCCCNC[C@H](O)CC fcfcc29560e185a747136fe09b12ca26 [0,2,0,0,0,0|1,0,0]=3 9656 B11R0.40 CCSCCCNC[C@H](O)CO 78ccd4916ec035ef95be176895fe440a [0,2,0,0,0,0|2,0,0]=4 9657 B11R0.40 CCSCCCOCC(=O)CC e95eea67d707e354332756055989bd1d [0,2,0,0,0,0|0,0,1]=3 9658 B11R0.40 CCSCCCOCC(=O)NC 2a5a295fa3b1af8becdc9290c9b7f233 [0,2,0,0,0,0|1,0,1]=4 9659 B11R0.40 CCSCCCOCC(=O)OC 3e5dce16e86bb76e36032bc19e30b6c4 [0,2,0,0,0,0|1,0,1]=4 9660 B11R0.40 CCSCCCOCC(Br)CBr de23d22eb30bdd2319f79099ec02f6ae [0,2,0,0,0,0|1,0,0]=3 9661 B11R0.40 CCSCCCOCC(C)C#N 781db7f088580c3e3efe2ffde24f1e75 [0,2,0,0,0,0|1,0,1]=4 9662 B11R0.40 CCSCCCOCC(C)CC 94d6a755eebcd1acdf57f6a27ff4028d [0,2,0,0,0,0|0,0,0]=2 9663 B11R0.40 CCSCCCOCC(C)OC 8343080081451baaed94336f6d399ac3 [0,2,0,0,0,0|1,0,0]=3 9664 B11R0.40 CCSCCCOCC(Cl)CCl a6bd25cb5f197ef637d057d5b4628449 [0,2,0,0,0,0|1,0,0]=3 9665 B11R0.40 CCSCCCOCC(O)CO 8c1d7afb90db3223e57292e24bb82366 [0,2,0,0,0,0|1,0,0]=3 9666 B11R0.40 CCSCCCOCC(S)CS 9277274b1695e0e0e11d9e1ddac8b013 [0,2,0,0,0,0|1,0,0]=3 9667 B11R0.40 CCSCCCOC[C@@H](C)CC 767ea8242cc944fc0cbb0febf98e032e [0,2,0,0,0,0|0,0,0]=2 9668 B11R0.40 CCSCCCOC[C@@H](C)OC e0ff951915a2f8f9a6b872f520dbd5a9 [0,2,0,0,0,0|1,0,0]=3 9669 B11R0.40 CCSCCCOC[C@@H](O)CO fae3acddbf835a7fbc788de1d1a3c29d [0,2,0,0,0,0|1,0,0]=3 9670 B11R0.40 CCSCCCOC[C@H](C)CC 66d5a5499337e2a3148e1a9bda28d394 [0,2,0,0,0,0|0,0,0]=2 9671 B11R0.40 CCSCCCOC[C@H](C)OC e262e26fe091e1e105796cec5e9e628e [0,2,0,0,0,0|1,0,0]=3 9672 B11R0.40 CCSCCCOC[C@H](O)CO 3667eec6f3e597db738daf5e9bf77747 [0,2,0,0,0,0|1,0,0]=3 9673 B11R0.40 CCSCCNCCC(C)CC 8d605df70a935f383f9558cc25af336e [0,2,0,0,0,0|1,0,0]=3 9674 B11R0.40 CCSCCNCCC(C)CO 337bd45ab7ede050d7217d2a383d09d3 [0,2,0,0,0,0|2,0,0]=4 9675 B11R0.40 CCSCCNCCC(O)CO 83e96b0f5bc577c5c972921b59f65919 [0,2,0,0,0,0|2,0,0]=4 9676 B11R0.40 CCSCCNCCS(=O)CC dd48d4861120fdb30360816113acc98f [0,2,0,0,0,0|2,0,0]=4 9677 B11R0.40 CCSCCNCC[C@@H](C)CO b2807eba25b3b75d81bbfed94b895efe [0,2,0,0,0,0|2,0,0]=4 9678 B11R0.40 CCSCCOCCC(=O)NC 9fff369bc3243a864103a12995e4983a [0,2,0,0,0,0|1,0,1]=4 9679 B11R0.40 CCSCCOCCC(=O)OC 3a5d46de8a20f41384df05397c6e099d [0,2,0,0,0,0|1,0,1]=4 9680 B11R0.40 CCSCCOCCC(C)CC da124b7ab2f8de50f8b3dde45d32f4b8 [0,2,0,0,0,0|0,0,0]=2 9681 B11R0.40 CCSCCOCCC(C)OC 27f26d952f103ad9d8f16f8bfd45551a [0,2,0,0,0,0|1,0,0]=3 9682 B11R0.40 CCSCCOCCC(S)CC 081eafa802516fed1a46b00442be9ce0 [0,2,0,0,0,0|0,0,0]=2 9683 B11R0.40 CCSCCOCCN(C)C#N de5c8e68ca87a10ad44a7f782af066fd [0,2,0,0,0,0|2,0,0]=4 9684 B11R0.40 CCSCCOCCN(C)C=O 47b5194a5d1857bb9898651bf7b63845 [0,2,0,0,0,0|2,0,0]=4 9685 B11R0.40 CCSCCOCCS(=O)CC f6afb21b38bc0efaf6bad7952222cc02 [0,2,0,0,0,0|1,0,0]=3 9686 B11R0.40 CCSCCOCC[C@@H](C)CC 20b805987862c5ce53802afd745163aa [0,2,0,0,0,0|0,0,0]=2 9687 B11R0.40 CCSCCOCOC(=O)CC 90c649268e17812b1f38a63ed301bdb0 [0,2,0,0,0,0|1,0,1]=4 9688 B11R0.40 CC[C@@H](C)CNCCCCC#N 2580d8883abe6527ae1d95a47a54edf3 [0,2,0,0,0,0|1,0,1]=4 9689 B11R0.40 CC[C@@H](C)CNCCCCCCl e91ecf8e783dad5534f8a311a149cbf5 [0,2,0,0,0,0|1,0,0]=3 9690 B11R0.40 CC[C@@H](C)CNCCCCCO 388b000fc7537ea460a9a8342d2af388 [0,2,0,0,0,0|1,0,0]=3 9691 B11R0.40 CC[C@@H](C)CNCCCCOC 63e913a6f8fed86fd9a79aa40f661528 [0,2,0,0,0,0|1,0,0]=3 9692 B11R0.40 CC[C@@H](C)CNCCCCSC aa6ef62420c5e9734878774b0f85046d [0,2,0,0,0,0|1,0,0]=3 9693 B11R0.40 CC[C@@H](C)CNCCOCCO 855e268f65d6f7d40d066d4d2e556a24 [0,2,0,0,0,0|2,0,0]=4 9694 B11R0.40 CC[C@@H](C)CNCCOCCS 92c02a8aa4f50ea2a247faffb8d6a77c [0,2,0,0,0,0|2,0,0]=4 9695 B11R0.40 CC[C@@H](C)CNCCSCCO 1bd0b398d10d42804547317bc8230e7d [0,2,0,0,0,0|2,0,0]=4 9696 B11R0.40 CC[C@@H](C)COCC#CCOC 3a0f545f6c4c457b7cc5e851595be899 [0,2,0,0,0,0|0,0,2]=4 9697 B11R0.40 CC[C@@H](C)COCCCCC#N bbcf6b4fb4560ed60b8d296ed85e6a22 [0,2,0,0,0,0|0,0,1]=3 9698 B11R0.40 CC[C@@H](C)COCCCCC=O 3752f84d87641a71be8ececb3633726c [0,2,0,0,0,0|0,0,1]=3 9699 B11R0.40 CC[C@@H](C)COCCCCCF 73b56ffc531ebda6d4601b5e8763c195 [0,2,0,0,0,0|0,0,0]=2 9700 B11R0.40 CC[C@@H](C)COCCCCOC 64c7794261467adf678b3022f26b6c02 [0,2,0,0,0,0|0,0,0]=2 9701 B11R0.40 CC[C@@H](C)COCCCCSC 722406ee1044d5815c9b9bc3f5c3e1a7 [0,2,0,0,0,0|0,0,0]=2 9702 B11R0.40 CC[C@@H](C)COCCOCC#N 8c4218625870931126fc1c6b25966932 [0,2,0,0,0,0|1,0,1]=4 9703 B11R0.40 CC[C@@H](C)COCCOCC=O 0d38be6191187aee3c3af96e2f48e46b [0,2,0,0,0,0|1,0,1]=4 9704 B11R0.40 CC[C@@H](C)COCCOCCF ebee4182d021eee46e200b960271e682 [0,2,0,0,0,0|1,0,0]=3 9705 B11R0.40 CC[C@@H](C)COCCOCCS afd256bec151d4849de59aa86b8e301f [0,2,0,0,0,0|1,0,0]=3 9706 B11R0.40 CC[C@@H](C)COCCOCOC 609350314fd6a0b69adc871040b485d6 [0,2,0,0,0,0|1,0,0]=3 9707 B11R0.40 CC[C@@H](C)COCOCCOC 6ad0deedf48d0ebfb16f1e9902986575 [0,2,0,0,0,0|1,0,0]=3 9708 B11R0.40 CC[C@@H](C)NCCCCCCF 3c17aa2748ee3e76c5004ae02d4393be [0,2,0,0,0,0|2,0,0]=4 9709 B11R0.40 CC[C@@H](C)NCCCCCCO 013006ebb5f903a647eebc1801822353 [0,2,0,0,0,0|2,0,0]=4 9710 B11R0.40 CC[C@@H](C)NCCCCCOC 6dec4cf6e69f2ca17ede01446743ce06 [0,2,0,0,0,0|2,0,0]=4 9711 B11R0.40 CC[C@@H](C)NCCOCCOC e4c2531cc9c8d12f24238e241b4c0f22 [0,2,0,0,0,0|1,0,0]=3 9712 B11R0.40 CC[C@@H](C)OCCCCCCF e8e549cb6d4e99d9e8c741b6ded03e7f [0,2,0,0,0,0|2,0,0]=4 9713 B11R0.40 CC[C@@H](C)OCCCCCOC 5952ed8f891c20aa2ee0d3f1b0b418a5 [0,2,0,0,0,0|2,0,0]=4 9714 B11R0.40 CC[C@@H](C)OCCOCCOC 39d810aa828b5770d20c6f4a44b87798 [0,2,0,0,0,0|1,0,0]=3 9715 B11R0.40 CC[C@@H](O)CNCCCCC#N 167a88b713f59bee8584744e088eb1c9 [0,2,0,0,0,0|1,0,1]=4 9716 B11R0.40 CC[C@@H](O)CNCCCCC=O f0166696f213f1c7045b7b0248b3ac0b [0,2,0,0,0,0|1,0,1]=4 9717 B11R0.40 CC[C@@H](O)CNCCCCCF fcee643423368575fbb85bfc1e7fca87 [0,2,0,0,0,0|1,0,0]=3 9718 B11R0.40 CC[C@@H](O)CNCCCCCO 3e64048a96cd997f5cd275931a6016da [0,2,0,0,0,0|1,0,0]=3 9719 B11R0.40 CC[C@@H](O)CNCCCCOC 744825c38a252ac718aa8485dbf0d21d [0,2,0,0,0,0|1,0,0]=3 9720 B11R0.40 CC[C@@H](O)CNCCCCON 696895d36a0e5c51aff240dd6eeb682d [0,2,0,0,0,0|2,0,0]=4 9721 B11R0.40 CC[C@@H](O)CNCCOCCO d591dc713ae8e505ad53f3b5924d534e [0,2,0,0,0,0|2,0,0]=4 9722 B11R0.40 CC[C@@H](O)CNCCOCOC 58171d3d66096f3587ab8f026967651f [0,2,0,0,0,0|2,0,0]=4 9723 B11R0.40 CC[C@@H](O)CNCOCCOC 7769ddcd0addaed9fee1435dc6456c42 [0,2,0,0,0,0|1,0,0]=3 9724 B11R0.40 CC[C@H](C)CCCCCOCF d022b1edab298bb224862a9fa9a8a0b6 [0,2,0,0,0,0|2,0,0]=4 9725 B11R0.40 CC[C@H](C)CCCCOCCF 839e01e36d214db917cef1186afac0a1 [0,2,0,0,0,0|2,0,0]=4 9726 B11R0.40 CC[C@H](C)CCCCOCCS 8e1e2b5c51414a39e73d49809ab4a4b7 [0,2,0,0,0,0|2,0,0]=4 9727 B11R0.40 CC[C@H](C)CCCCOCOC d752fa72355958736691051b0331c0e5 [0,2,0,0,0,0|2,0,0]=4 9728 B11R0.40 CC[C@H](C)CCCCOCSC 889b12a73b38eb37e1336cd1570b4187 [0,2,0,0,0,0|2,0,0]=4 9729 B11R0.40 CC[C@H](C)CCCOCCC#N 616e9f8eaa3cd1081ba329289245befd [0,2,0,0,0,0|1,0,1]=4 9730 B11R0.40 CC[C@H](C)CCCOCCC=O f8312f5bc6d368cc7ea9b01b96c91c8f [0,2,0,0,0,0|1,0,1]=4 9731 B11R0.40 CC[C@H](C)CCCOCCCF 832686eb263b15a89d2e5df54ce134c9 [0,2,0,0,0,0|1,0,0]=3 9732 B11R0.40 CC[C@H](C)CCCOCCCS c464a91febc21f92a9fb16962aabed8f [0,2,0,0,0,0|1,0,0]=3 9733 B11R0.40 CC[C@H](C)CCCOCCOC acb5a9539d7ece8efb73239716ad9c09 [0,2,0,0,0,0|1,0,0]=3 9734 B11R0.40 CC[C@H](C)CCCOCCSC d7421f3fa32744dfd8c89b562f1febe7 [0,2,0,0,0,0|1,0,0]=3 9735 B11R0.40 CC[C@H](C)CCOCCCC#N 775083795d4894348fb71bcb51cf1b90 [0,2,0,0,0,0|0,0,1]=3 9736 B11R0.40 CC[C@H](C)CCOCCCC=O 0581fe062000c28712f7ff82bd593626 [0,2,0,0,0,0|0,0,1]=3 9737 B11R0.40 CC[C@H](C)CCOCCCCF ec2ee558b1f11b5ae9e67655b14fd476 [0,2,0,0,0,0|0,0,0]=2 9738 B11R0.40 CC[C@H](C)CCOCCCOC e2e18431b9abd64d3a731d8d711500a2 [0,2,0,0,0,0|0,0,0]=2 9739 B11R0.40 CC[C@H](C)CCOCCCSC c5bd77a2982ee23184d7fb496173e243 [0,2,0,0,0,0|0,0,0]=2 9740 B11R0.40 CC[C@H](C)CNCCCCC#N 824d78d68ec1a55225666fb92e6ccf4a [0,2,0,0,0,0|1,0,1]=4 9741 B11R0.40 CC[C@H](C)CNCCCCC=O 32315c7380bab690dac94d31787e9443 [0,2,0,0,0,0|1,0,1]=4 9742 B11R0.40 CC[C@H](C)CNCCCCCCl 2e193d5f8fba6204d2d1fd3853129276 [0,2,0,0,0,0|1,0,0]=3 9743 B11R0.40 CC[C@H](C)CNCCCCCF 697aa673fad619e04c301969a2385547 [0,2,0,0,0,0|1,0,0]=3 9744 B11R0.40 CC[C@H](C)CNCCCCCO 5ebbd425576faab6f7009f3d799e8c7a [0,2,0,0,0,0|1,0,0]=3 9745 B11R0.40 CC[C@H](C)CNCCCCOC 0ef9eb369a37649456fbbb94b760a01b [0,2,0,0,0,0|1,0,0]=3 9746 B11R0.40 CC[C@H](C)CNCCCCON c32aeabd1665ec085e3e500846454376 [0,2,0,0,0,0|2,0,0]=4 9747 B11R0.40 CC[C@H](C)CNCCCCSC 87dcf6a4cb103919141ecdf560ae6d83 [0,2,0,0,0,0|1,0,0]=3 9748 B11R0.40 CC[C@H](C)CNCCOCCO 54b2224431fcb5cfabe0e920b861df32 [0,2,0,0,0,0|2,0,0]=4 9749 B11R0.40 CC[C@H](C)CNCCOCCS 6d82805b1e74a20368d87cc58c0eb2ec [0,2,0,0,0,0|2,0,0]=4 9750 B11R0.40 CC[C@H](C)CNCCOCOC cf7d7f2dc5f56f8095ea82c76e8fedea [0,2,0,0,0,0|2,0,0]=4 9751 B11R0.40 CC[C@H](C)CNCCSCCO 2b2deaec2a570de21d8e4b3188b82a90 [0,2,0,0,0,0|2,0,0]=4 9752 B11R0.40 CC[C@H](C)CNCOCCOC 57c9201d14520bc5047d287ea4d79e8b [0,2,0,0,0,0|1,0,0]=3 9753 B11R0.40 CC[C@H](C)COCC#CCOC aef3e25546803fb6277d795a2b7fa533 [0,2,0,0,0,0|0,0,2]=4 9754 B11R0.40 CC[C@H](C)COCCCCC#N 61be8ec63172311e1ecf9074b6653951 [0,2,0,0,0,0|0,0,1]=3 9755 B11R0.40 CC[C@H](C)COCCCCC=O ba2f10f27544f4cd6546bc6e0ece3ddc [0,2,0,0,0,0|0,0,1]=3 9756 B11R0.40 CC[C@H](C)COCCCCCF 8582d43ddadef7e712645b51dd4cefbe [0,2,0,0,0,0|0,0,0]=2 9757 B11R0.40 CC[C@H](C)COCCCCOC f3540347cfcf680ff2cf51f0b618bf41 [0,2,0,0,0,0|0,0,0]=2 9758 B11R0.40 CC[C@H](C)COCCCCSC 5537e926f611ed28b06bedb86e3e0005 [0,2,0,0,0,0|0,0,0]=2 9759 B11R0.40 CC[C@H](C)COCCOCC#N 4591bbc86d3f0fce756b2d47b2702aeb [0,2,0,0,0,0|1,0,1]=4 9760 B11R0.40 CC[C@H](C)COCCOCC=O 0f3793c09aeb317f19013dcb45e359dc [0,2,0,0,0,0|1,0,1]=4 9761 B11R0.40 CC[C@H](C)COCCOCCF fb565fb5bfdb75109670c8e27540f7f5 [0,2,0,0,0,0|1,0,0]=3 9762 B11R0.40 CC[C@H](C)COCCOCCS 8935ead25972c10076e70dcdad036e14 [0,2,0,0,0,0|1,0,0]=3 9763 B11R0.40 CC[C@H](C)COCCOCOC 373b8e6bc7fed7851df442ee6aa523c3 [0,2,0,0,0,0|1,0,0]=3 9764 B11R0.40 CC[C@H](C)COCOCCOC 1c6d5ab99399cb5b47d7f60f8f01ee7f [0,2,0,0,0,0|1,0,0]=3 9765 B11R0.40 CC[C@H](C)NCCCCCCF 658e57f6c7eea4855e49c8f9a22cc450 [0,2,0,0,0,0|2,0,0]=4 9766 B11R0.40 CC[C@H](C)NCCCCCCO e0347a0a81438b54706d2f62a25c3de3 [0,2,0,0,0,0|2,0,0]=4 9767 B11R0.40 CC[C@H](C)NCCCCCOC ba96dc73cff73b7a30033b8277a20620 [0,2,0,0,0,0|2,0,0]=4 9768 B11R0.40 CC[C@H](C)NCCOCCOC 62ca7d2bce0187285f8c922de16552c3 [0,2,0,0,0,0|1,0,0]=3 9769 B11R0.40 CC[C@H](C)OCCCCCCF b7e7ba4d0c179d028ea3f8d06def85c2 [0,2,0,0,0,0|2,0,0]=4 9770 B11R0.40 CC[C@H](C)OCCCCCOC 9bff236a30712ca117b6c2482be3ef66 [0,2,0,0,0,0|2,0,0]=4 9771 B11R0.40 CC[C@H](C)OCCOCCOC b8f71b2a8a014113b92673f673b1990a [0,2,0,0,0,0|1,0,0]=3 9772 B11R0.40 CN(C#N)CCOCCCCF 41ee30fec2b759caa2a889489ac6b0a6 [0,2,0,0,0,0|2,0,0]=4 9773 B11R0.40 CN(C=O)CCOCCCCF c2eb3c75fc0e62beef9dae6d23274521 [0,2,0,0,0,0|2,0,0]=4 9774 B11R0.40 CNC(=O)CCCOCCCF cc4d5aded868bb3b806e82b702664796 [0,2,0,0,0,0|1,0,1]=4 9775 B11R0.40 CNC(=O)CCCOCCCS 8c7fe610e81e73e93c9203c0dc25d782 [0,2,0,0,0,0|1,0,1]=4 9776 B11R0.40 CNC(=O)CCCOCCOC 679110e3bc325cfc067b9e066fb8fd05 [0,2,0,0,0,0|1,0,1]=4 9777 B11R0.40 CNC(=O)CCCOCCSC 57b0429c7fad297937b249ddbc6c5318 [0,2,0,0,0,0|1,0,1]=4 9778 B11R0.40 CNC(=O)CCOCCCCF c4de6f38831e5bccd19015340b56ec3d [0,2,0,0,0,0|1,0,1]=4 9779 B11R0.40 CNC(=O)CCOCCCCS 2659c35ea398a3cf89c65326429e330d [0,2,0,0,0,0|1,0,1]=4 9780 B11R0.40 CNC(=O)CCOCCCOC 1a3bc4659a5dba4d2c916b745d84a2b5 [0,2,0,0,0,0|1,0,1]=4 9781 B11R0.40 CNC(=O)CCOCCCSC f3c9a86b4d20626a39fa9c5677b86fd9 [0,2,0,0,0,0|1,0,1]=4 9782 B11R0.40 CNC(=O)COCCCCCF 30a06aacc12e6be93a441e8da3712845 [0,2,0,0,0,0|1,0,1]=4 9783 B11R0.40 CNC(=O)COCCCCOC a539f4641c3a9dab39104b55ede71de3 [0,2,0,0,0,0|1,0,1]=4 9784 B11R0.40 CNC(=O)COCCCCSC 0d9899b882fa3d6dcae7317e3bdd0e37 [0,2,0,0,0,0|1,0,1]=4 9785 B11R0.40 COC(=O)CCCOCCCF ad4a657375774e174695b5c380767605 [0,2,0,0,0,0|1,0,1]=4 9786 B11R0.40 COC(=O)CCCOCCCS 614db15c725c13d73ce896e4a3526258 [0,2,0,0,0,0|1,0,1]=4 9787 B11R0.40 COC(=O)CCCOCCSC a532869a6a9d1335d72148f96ad99d09 [0,2,0,0,0,0|1,0,1]=4 9788 B11R0.40 COC(=O)CCOCCCCF fdd63d188c06e45bc0534668d783c9fe [0,2,0,0,0,0|1,0,1]=4 9789 B11R0.40 COC(=O)CCOCCCCS 3b9308a913cffb35eed8fd20b29ba3e8 [0,2,0,0,0,0|1,0,1]=4 9790 B11R0.40 COC(=O)CCOCCCSC b26f1a53d0c30e5fe57fe463fe93b69e [0,2,0,0,0,0|1,0,1]=4 9791 B11R0.40 COC(=O)COCCCCCF cba36326a78ca1f965959e137fb7ac72 [0,2,0,0,0,0|1,0,1]=4 9792 B11R0.40 COC(=O)COCCCCSC 447c9e188b6f6e43d32a8bc9d652b2ad [0,2,0,0,0,0|1,0,1]=4 9793 B11R0.40 COC(C)CCOCCCC#N c75a240578e68448e54a90ed5e9fbd07 [0,2,0,0,0,0|1,0,1]=4 9794 B11R0.40 COC(C)CCOCCCC=O 2e1d6615b8b2e378cbb2662b4be81b24 [0,2,0,0,0,0|1,0,1]=4 9795 B11R0.40 COC(C)CCOCCCCF 33a5f53a7362320ab237004be0b67f0b [0,2,0,0,0,0|1,0,0]=3 9796 B11R0.40 COC(C)CCOCCCSC ed524859070356d118d43ee39f080619 [0,2,0,0,0,0|1,0,0]=3 9797 B11R0.40 COC(C)CNCCCCCCl f411a304e1c79983fa7ce0b1f8ba6e1c [0,2,0,0,0,0|2,0,0]=4 9798 B11R0.40 COC(C)CNCCCCCO 4bdef23e5488bc68f9a0e0dc37fc1100 [0,2,0,0,0,0|2,0,0]=4 9799 B11R0.40 COC(C)CNCCCCSC 211cc237c0cb947b4af9784e1f2d6ee5 [0,2,0,0,0,0|2,0,0]=4 9800 B11R0.40 COC(C)COCCCCC#N 786e68f59eb0474d933a3bcda7e5b2dd [0,2,0,0,0,0|1,0,1]=4 9801 B11R0.40 COC(C)COCCCCC=O d263eb7dd179b5330901294beff43471 [0,2,0,0,0,0|1,0,1]=4 9802 B11R0.40 COC(C)COCCCCCF ab8166d5417ae1187f7c005bdf3a2ee6 [0,2,0,0,0,0|1,0,0]=3 9803 B11R0.40 COC(C)COCCCCSC 39800528b387f560ff12bfa780f0d9f6 [0,2,0,0,0,0|1,0,0]=3 9804 B11R0.40 COC(C)COCCOCCF 46fa8a9caf6578600e67bbf9056bd39a [0,2,0,0,0,0|2,0,0]=4 9805 B11R0.40 COC(C)COCCOCCS 840c794270b74ffb5bce75165ea9926f [0,2,0,0,0,0|2,0,0]=4 9806 B11R0.40 COCCCCNCC(Br)CBr 02a65138daea0c83cda1e1812b0d0a05 [0,2,0,0,0,0|2,0,0]=4 9807 B11R0.40 COCCCCNCC(C)CO 70d56edb5d593893548328aab3e2ae06 [0,2,0,0,0,0|2,0,0]=4 9808 B11R0.40 COCCCCNCC(C)OC 08aba8e0906700225c566c6b5f42b23d [0,2,0,0,0,0|2,0,0]=4 9809 B11R0.40 COCCCCNCC(F)CO 1c7792f17dda1130be67f25ee968e950 [0,2,0,0,0,0|2,0,0]=4 9810 B11R0.40 COCCCCNCC(O)CF aa0e9c36c632db97edc9f710c73dd8f6 [0,2,0,0,0,0|2,0,0]=4 9811 B11R0.40 COCCCCNCC(O)CO ae7cace52addd86c0ce0cce97fb10aa9 [0,2,0,0,0,0|2,0,0]=4 9812 B11R0.40 COCCCCNC[C@@H](C)CO a67ba9a08b0c03b45b5cb810ae375d78 [0,2,0,0,0,0|2,0,0]=4 9813 B11R0.40 COCCCCNC[C@@H](C)OC e06ce1c3d5703f149d217ab5056088f2 [0,2,0,0,0,0|2,0,0]=4 9814 B11R0.40 COCCCCNC[C@@H](F)CO c03bbcf7cc2a065b6574e94c03e78215 [0,2,0,0,0,0|2,0,0]=4 9815 B11R0.40 COCCCCNC[C@@H](O)CO 6cd087c4ab8e925db93a280f8d09bf54 [0,2,0,0,0,0|2,0,0]=4 9816 B11R0.40 COCCCCNC[C@H](C)CO 4414af0ecfa714549a4d47a3b6d8cbe2 [0,2,0,0,0,0|2,0,0]=4 9817 B11R0.40 COCCCCNC[C@H](C)OC c3248e989a016f6c649887bc65a00a3b [0,2,0,0,0,0|2,0,0]=4 9818 B11R0.40 COCCCCNC[C@H](F)CO 9e7f3e56bcf261926b3dd051ddad8ced [0,2,0,0,0,0|2,0,0]=4 9819 B11R0.40 COCCCCNC[C@H](O)CO 804cfc43aad00aa457c51ece187f8402 [0,2,0,0,0,0|2,0,0]=4 9820 B11R0.40 COCCCCOCC(=O)OC 931b9f10ba823e1596417b22b927de75 [0,2,0,0,0,0|1,0,1]=4 9821 B11R0.40 COCCCCOCC(Br)CBr 996d3e203688d9ff2441929c7feadc01 [0,2,0,0,0,0|1,0,0]=3 9822 B11R0.40 COCCCCOCC(C)C#N 2b469b19496462561b1f08a703310fd2 [0,2,0,0,0,0|1,0,1]=4 9823 B11R0.40 COCCCCOCC(C)OC 4713834f45dbbdbac750a8eaeb2078f7 [0,2,0,0,0,0|1,0,0]=3 9824 B11R0.40 COCCCCOCC(Cl)CCl 98f3a0d52106f2ab4d76a77321a50da0 [0,2,0,0,0,0|1,0,0]=3 9825 B11R0.40 COCCCCOCC(O)CO 1c62af005f57f61d97026b4d5b3c1184 [0,2,0,0,0,0|1,0,0]=3 9826 B11R0.40 COCCCCOCC(S)CS 91bdc7f68541a6e9dceb3355439f7332 [0,2,0,0,0,0|1,0,0]=3 9827 B11R0.40 COCCCCOC[C@@H](C)OC 3a3eca3693ac6c80b5a1585c54cd0b74 [0,2,0,0,0,0|1,0,0]=3 9828 B11R0.40 COCCCCOC[C@@H](O)CO 4ea9630fd57ecfc0670f94a783a11198 [0,2,0,0,0,0|1,0,0]=3 9829 B11R0.40 COCCCCOC[C@H](C)OC 3c51881db18fd6a5babb72fbe6d45cce [0,2,0,0,0,0|1,0,0]=3 9830 B11R0.40 COCCCCOC[C@H](O)CO c6f62287b8a35ead37a0937aa61f292b [0,2,0,0,0,0|1,0,0]=3 9831 B11R0.40 COCCCNCCC(C)CO 9cd5735db3fb19158e5503dce187b7ae [0,2,0,0,0,0|2,0,0]=4 9832 B11R0.40 COCCCNCCC(O)CO ad53b0ec8b41dea900544a7bbb9c45ed [0,2,0,0,0,0|2,0,0]=4 9833 B11R0.40 COCCCNCC[C@@H](C)CO 32aa6a71ee7396b532fecfaa8075afd3 [0,2,0,0,0,0|2,0,0]=4 9834 B11R0.40 COCCCOCCC(=O)OC b4f1d1de8127af98e6f242234cd1ea0e [0,2,0,0,0,0|1,0,1]=4 9835 B11R0.40 COCCCOCCC(C)OC 96393d2935aaa6cb6b7dadbec14e2261 [0,2,0,0,0,0|1,0,0]=3 9836 B11R0.40 COCCCOCCN(C)C#N 9fb7e57db5e9331550505cc7fdf93b92 [0,2,0,0,0,0|2,0,0]=4 9837 B11R0.40 COCCCOCCN(C)C=O 5af26fa02cd95306c051d71d652b05cb [0,2,0,0,0,0|2,0,0]=4 9838 B11R0.40 COCCNCCCC(C)CO ef68f65716570d581af48c4139636659 [0,2,0,0,0,0|2,0,0]=4 9839 B11R0.40 COCCOCCCC(=O)OC 99cf3628ca871405b6cc15b92d3d5b58 [0,2,0,0,0,0|1,0,1]=4 9840 B11R0.40 COCCOCCNC(C)C#N 35cb25f535eb287e011a80117df2a7b3 [0,2,0,0,0,0|2,0,0]=4 9841 B11R0.40 COCCOCCNC(C)C=O 427a3d82b92a545d56c1d322faa12247 [0,2,0,0,0,0|2,0,0]=4 9842 B11R0.40 COCCOCCNC(C)CO e586fb7f21cd6f80a322810c37b70912 [0,2,0,0,0,0|2,0,0]=4 9843 B11R0.40 COCCOCCN[C@@H](C)CO 7833040a961fff34aa47ad6ae9ec7f4c [0,2,0,0,0,0|2,0,0]=4 9844 B11R0.40 COCCOCCN[C@H](C)C=O 956f31bff2f9b299dd20cc39a2aa4b8d [0,2,0,0,0,0|2,0,0]=4 9845 B11R0.40 COCCOCCN[C@H](C)CO dceeb81e11641edfcdf0b430bb9fb1bf [0,2,0,0,0,0|2,0,0]=4 9846 B11R0.40 COCCOCCOC(C)C#N 3ae5be523dc4fa00af8051206b3c4151 [0,2,0,0,0,0|2,0,0]=4 9847 B11R0.40 COCCOCCOC(C)C=O 7c7eff45eb5d73a4ff919e6044f1f4db [0,2,0,0,0,0|2,0,0]=4 9848 B11R0.40 COCCOCCOC(C)CF e16d5061eef41b1b36f39843a0729922 [0,2,0,0,0,0|2,0,0]=4 9849 B11R0.40 COCCOCCOC(C)CS f4cf87f035cad996dfdfa500eab0def5 [0,2,0,0,0,0|2,0,0]=4 9850 B11R0.40 COCCOCCO[C@H](C)C=O 9643da9f44d1ea3b33d4b3dba1ed2a72 [0,2,0,0,0,0|2,0,0]=4 9851 B11R0.40 COCCOCCO[C@H](C)CS a79d893d3b508a4bd66c9ef8d4285dda [0,2,0,0,0,0|2,0,0]=4 9852 B11R0.40 COCCOCNCC(Br)CBr 8c02bd5bc0c34e9fa0ab0eb7578a0a33 [0,2,0,0,0,0|2,0,0]=4 9853 B11R0.40 COCCOCNCC(C)C#N db380fd717fb2d564eb10455c45de8ae [0,2,0,0,0,0|2,0,0]=4 9854 B11R0.40 COCCOCNCC(C)CO fb4dd64c066b2514d76ebead0d81f55d [0,2,0,0,0,0|2,0,0]=4 9855 B11R0.40 COCCOCNCC(F)CO 2557817a83aeee13dc786a220b756560 [0,2,0,0,0,0|2,0,0]=4 9856 B11R0.40 COCCOCNCC(O)CO f33643b2d8d193d6287c85808fddee59 [0,2,0,0,0,0|2,0,0]=4 9857 B11R0.40 COCCOCNC[C@@H](C)OC 0d13cfada2ba7eeb851c35bd1c0f81fc [0,2,0,0,0,0|2,0,0]=4 9858 B11R0.40 COCCOCNC[C@@H](F)CO d7e0b8e5440f525f476eb4d4eba6288e [0,2,0,0,0,0|2,0,0]=4 9859 B11R0.40 COCCOCNC[C@@H](O)CO 785397bfa809e22011cfe8294cce4489 [0,2,0,0,0,0|2,0,0]=4 9860 B11R0.40 COCCOCNC[C@H](C)CO 203b83ebd1064475f28798db82b1cdab [0,2,0,0,0,0|2,0,0]=4 9861 B11R0.40 COCCOCNC[C@H](C)OC 2f93c7b909784806f821f854d1397c1a [0,2,0,0,0,0|2,0,0]=4 9862 B11R0.40 COCCOCNC[C@H](F)CO ecef029c5c830db6ead7b5b1b14b0ab4 [0,2,0,0,0,0|2,0,0]=4 9863 B11R0.40 COCCOCNC[C@H](O)CO b096d093648fe7eb2cd7d46c2857cab8 [0,2,0,0,0,0|2,0,0]=4 9864 B11R0.40 COCCOCOCC(Br)CBr e241b66316f22dda68614380bf71d205 [0,2,0,0,0,0|2,0,0]=4 9865 B11R0.40 COCCOCOCC(C)C#N b253249dc33ad9d17a22546dc7f4f5f1 [0,2,0,0,0,0|2,0,0]=4 9866 B11R0.40 COCCOCOCC(C)OC 0298483b8f237acfe8f0583c8ce17363 [0,2,0,0,0,0|2,0,0]=4 9867 B11R0.40 COCCOCOCC(Cl)CCl 98493ee837def7d00e922e9044130d58 [0,2,0,0,0,0|2,0,0]=4 9868 B11R0.40 COCCOCOCC(S)CS 706c9730fa194693413d34ea3152ac05 [0,2,0,0,0,0|2,0,0]=4 9869 B11R0.40 COCCOCOC[C@@H](C)OC a65c182d033491c9b8d269a33e47f6dd [0,2,0,0,0,0|2,0,0]=4 9870 B11R0.40 COCCOCOC[C@H](C)OC 71e34c8253bf62120de7d0d7947ed143 [0,2,0,0,0,0|2,0,0]=4 9871 B11R0.40 COCOCCOCC(Br)CBr 8ee98e55c42310842efe70a21738112e [0,2,0,0,0,0|2,0,0]=4 9872 B11R0.40 COCOCCOCC(C)OC 91f5342fe92be22ec4b706e3240d157e [0,2,0,0,0,0|2,0,0]=4 9873 B11R0.40 COCOCCOCC(Cl)CCl 780402faa90ac12d9496f540a1e6ee63 [0,2,0,0,0,0|2,0,0]=4 9874 B11R0.40 COCOCCOCC(S)CS f794cba0f5f11dbc3ed2b10b231651b6 [0,2,0,0,0,0|2,0,0]=4 9875 B11R0.40 COCOCCOC[C@@H](C)OC a20e987d5ba021d9a450b986cdca4e67 [0,2,0,0,0,0|2,0,0]=4 9876 B11R0.40 COCOCCOC[C@H](C)OC 469f33e9b8aa659157a58ea41a74daa2 [0,2,0,0,0,0|2,0,0]=4 9877 B11R0.40 CO[C@@H](C)CNCCCCCCl 2700bea3b910d5a144d1f6d411935b67 [0,2,0,0,0,0|2,0,0]=4 9878 B11R0.40 CO[C@@H](C)CNCCCCCF f88ad2f99e4c00e402c60225cdb7f8a8 [0,2,0,0,0,0|2,0,0]=4 9879 B11R0.40 CO[C@@H](C)CNCCCCCO 416a381f3d436bbdbee30d1499f6bf07 [0,2,0,0,0,0|2,0,0]=4 9880 B11R0.40 CO[C@@H](C)CNCCCCSC d0e64c3b6778f8177245076872854515 [0,2,0,0,0,0|2,0,0]=4 9881 B11R0.40 CO[C@@H](C)COCCCCC#N 61cef0ba50217e8e9f472f0161addbd3 [0,2,0,0,0,0|1,0,1]=4 9882 B11R0.40 CO[C@@H](C)COCCCCC=O 36ee373e9f8718fed3d79ec2faa0e4c1 [0,2,0,0,0,0|1,0,1]=4 9883 B11R0.40 CO[C@@H](C)COCCCCCF 5cdd9c30be8a7875d3b977b83870a63a [0,2,0,0,0,0|1,0,0]=3 9884 B11R0.40 CO[C@@H](C)COCCCCSC 86faf6036722aa3b569c3a7117bb9d6b [0,2,0,0,0,0|1,0,0]=3 9885 B11R0.40 CO[C@@H](C)COCCOCCF 53a6c75c4db56c11e775fc159c44fb62 [0,2,0,0,0,0|2,0,0]=4 9886 B11R0.40 CO[C@@H](C)COCCOCCS 2905f4bb74b327e682ca5cd01a108d61 [0,2,0,0,0,0|2,0,0]=4 9887 B11R0.40 CO[C@H](C)CNCCCCCCl 1e120e7f03434d5e86531b6e70efd40c [0,2,0,0,0,0|2,0,0]=4 9888 B11R0.40 CO[C@H](C)CNCCCCCF 7fe428a08fe0a89ff170336800cad231 [0,2,0,0,0,0|2,0,0]=4 9889 B11R0.40 CO[C@H](C)CNCCCCCO 2c086b8d1f52ce0d54870c3fd951733d [0,2,0,0,0,0|2,0,0]=4 9890 B11R0.40 CO[C@H](C)CNCCCCSC e0045264f25f16c1ec9ab06f3c9b610b [0,2,0,0,0,0|2,0,0]=4 9891 B11R0.40 CO[C@H](C)COCCCCC#N afed8cf6fe2901d44a52f283a35d7af5 [0,2,0,0,0,0|1,0,1]=4 9892 B11R0.40 CO[C@H](C)COCCCCC=O bebded9e89924bb5424ca6ca05e78a2b [0,2,0,0,0,0|1,0,1]=4 9893 B11R0.40 CO[C@H](C)COCCCCCF 96a158f2cff604ab2dc804d38b1f8975 [0,2,0,0,0,0|1,0,0]=3 9894 B11R0.40 CO[C@H](C)COCCCCSC d6c678895a87acc7d8cd2608d749296d [0,2,0,0,0,0|1,0,0]=3 9895 B11R0.40 CO[C@H](C)COCCOCCF aef95b78a41825c5923d4e599cb19896 [0,2,0,0,0,0|2,0,0]=4 9896 B11R0.40 CO[C@H](C)COCCOCCS 1a7b68ee33040198847d2722aabed80d [0,2,0,0,0,0|2,0,0]=4 9897 B11R0.40 CSCCCCNCC(C)CO 43a1d51f36903b72568949c8dbf90f30 [0,2,0,0,0,0|2,0,0]=4 9898 B11R0.40 CSCCCCNCC(O)CF cc45b142648c23c06f10dbfe1e8a05f8 [0,2,0,0,0,0|2,0,0]=4 9899 B11R0.40 CSCCCCNCC(O)CO a57132f43726b99b28b49fe34d21ecee [0,2,0,0,0,0|2,0,0]=4 9900 B11R0.40 CSCCCCNC[C@@H](C)CO 4b780fb3aa4bf6891d82e89b4e629d87 [0,2,0,0,0,0|2,0,0]=4 9901 B11R0.40 CSCCCCNC[C@@H](O)CO 7449bed27874bd6de1c2236003bd65e1 [0,2,0,0,0,0|2,0,0]=4 9902 B11R0.40 CSCCCCNC[C@H](C)CO 85387b1dd7c635e9a980be2721d3f81b [0,2,0,0,0,0|2,0,0]=4 9903 B11R0.40 CSCCCCNC[C@H](O)CO 13712ae9ddebe9975ddb8429b781402c [0,2,0,0,0,0|2,0,0]=4 9904 B11R0.40 CSCCCCOCC(C)C#N 7910bae699913c7328ed8e728a79320d [0,2,0,0,0,0|1,0,1]=4 9905 B11R0.40 CSCCCCOCC(O)CO 34bd420c5bc0d489d2cf30303f85b3eb [0,2,0,0,0,0|1,0,0]=3 9906 B11R0.40 CSCCCCOC[C@@H](O)CO b2301cacc1abe97dd088a5f05ee80dff [0,2,0,0,0,0|1,0,0]=3 9907 B11R0.40 CSCCCCOC[C@H](O)CO c15ab2b8b07443d56e64591263ab4796 [0,2,0,0,0,0|1,0,0]=3 9908 B11R0.40 CSCCCNCCC(C)CO 82891918a82d0981840c41f65ea9ec2f [0,2,0,0,0,0|2,0,0]=4 9909 B11R0.40 CSCCCNCCC(O)CO 52cfa988972a0ab899a02b2b70f4ef65 [0,2,0,0,0,0|2,0,0]=4 9910 B11R0.40 CSCCCNCC[C@@H](C)CO a3bc3f46c28af8f959391e8c0f2f6082 [0,2,0,0,0,0|2,0,0]=4 9911 B11R0.40 CSCCCOCCN(C)C#N 58872c753655efc1993f028dd4649db0 [0,2,0,0,0,0|2,0,0]=4 9912 B11R0.40 CSCCCOCCN(C)C=O b08fa1ea4d3234fa0612881a0fd4c18d [0,2,0,0,0,0|2,0,0]=4 9913 B11R0.40 CSCCNCCCC(C)CO e55ed44c5172ad015e2c2969f1fc65ba [0,2,0,0,0,0|2,0,0]=4 9914 B11R0.40 CSCCOCCOC(C)C#N 52cf50da9c7a5c30b1af52a88dbb8090 [0,2,0,0,0,0|2,0,0]=4 9915 B11R0.40 C[C@@H](CO)CCNCCCCF 89ca943df252eaca218a79b8491aede6 [0,2,0,0,0,0|2,0,0]=4 9916 B11R0.40 C[C@@H](CO)CCNCCCCO e5647a2aaf234b5e81afaa6aca903d94 [0,2,0,0,0,0|2,0,0]=4 9917 B11R0.40 C[C@@H](CO)CNCCCCCCl f8bbc3ea6bc701f054cb676a7248be0c [0,2,0,0,0,0|2,0,0]=4 9918 B11R0.40 C[C@@H](CO)CNCCCCCO aa195c64531ce5ffda9846d76c791a2e [0,2,0,0,0,0|2,0,0]=4 9919 B11R0.40 C[C@@H](CO)NCCOCCCO 11f0d1e77708d8745c0c6326fe4886a1 [0,2,0,0,0,0|2,0,0]=4 9920 B11R0.40 C[C@H](C=O)NCCOCCCO 941fe608286d91e03ec538de8ecca6fd [0,2,0,0,0,0|2,0,0]=4 9921 B11R0.40 C[C@H](CO)CNCCCCCCl 411569a2766bdc09a1a694b0f7209a4d [0,2,0,0,0,0|2,0,0]=4 9922 B11R0.40 C[C@H](CO)CNCCCCCF 156c1deb655abc61828470bb0bee609f [0,2,0,0,0,0|2,0,0]=4 9923 B11R0.40 C[C@H](CO)CNCCCCCO e1dd1f6ce8c90878f88e49c0edfa5765 [0,2,0,0,0,0|2,0,0]=4 9924 B11R0.40 C[C@H](CO)NCCOCCCO 99894dad3cd28915065c3c15c423b0dc [0,2,0,0,0,0|2,0,0]=4 9925 B11R0.40 FCCCCCNCC(Br)CBr 066b4ee8e8d771b435bbe27ab2fd2150 [0,2,0,0,0,0|2,0,0]=4 9926 B11R0.40 FCCCCCOCC(Br)CBr e300285e78456d27978e981eb46feb08 [0,2,0,0,0,0|1,0,0]=3 9927 B11R0.40 FCCCCCOCC(Cl)CCl ac046a95ed9df927431e9dbbb6f6754b [0,2,0,0,0,0|1,0,0]=3 9928 B11R0.40 FCCCCCOCC(S)CS c26c07f04202d20f8b38c5902299aa28 [0,2,0,0,0,0|1,0,0]=3 9929 B11R0.40 N#CCCCCOCC(Br)CBr b8efd38c835e14530c3c85a1c3c49777 [0,2,0,0,0,0|1,0,1]=4 9930 B11R0.40 N#CCCCCOCC(Cl)CCl b5a695e962822d50deb71815f7176a65 [0,2,0,0,0,0|1,0,1]=4 9931 B11R0.40 N#CCCCCOCC(O)CO f175095505bc3d5ed64459a475b5ea52 [0,2,0,0,0,0|1,0,1]=4 9932 B11R0.40 N#CCCCCOCC(S)CS dad6dc664f42908d4655271d63c29e2e [0,2,0,0,0,0|1,0,1]=4 9933 B11R0.40 N#CCCCCOC[C@@H](O)CO a0a58dac1bbbaa0fbf2690c464eb9dd0 [0,2,0,0,0,0|1,0,1]=4 9934 B11R0.40 N#CCCCCOC[C@H](O)CO d71a28c090b3f40db347d37a3a8b4454 [0,2,0,0,0,0|1,0,1]=4 9935 B11R0.40 O=CCCCCOCC(Br)CBr a79728c27c872f0fcdee20f4e214d3f4 [0,2,0,0,0,0|1,0,1]=4 9936 B11R0.40 O=CCCCCOCC(Cl)CCl 3222374cf6ae31b97f86a5b62ad0c3a5 [0,2,0,0,0,0|1,0,1]=4 9937 B11R0.40 O=CCCCCOCC(O)CO ed355a0911b2fd2c01624369972f3dce [0,2,0,0,0,0|1,0,1]=4 9938 B11R0.40 O=CCCCCOCC(S)CS cc7c5ecd25a91696af3b96c8de415cba [0,2,0,0,0,0|1,0,1]=4 9939 B11R0.40 O=CCCCCOC[C@@H](O)CO c52fffec5ad9256a3eb900b36aca8abf [0,2,0,0,0,0|1,0,1]=4 9940 B11R0.40 O=CCCCCOC[C@H](O)CO 771ad5324d07a0af9188c146c23dbbb6 [0,2,0,0,0,0|1,0,1]=4 9941 B11R0.40 OC(CF)CNCCCCCCl 1317d28d8bcfbeedfa2466c266587e08 [0,2,0,0,0,0|2,0,0]=4 9942 B11R0.40 OCC(F)CNCCCCCF cb378f448e6bbb3e7a17f3815f60decc [0,2,0,0,0,0|2,0,0]=4 9943 B11R0.40 OCC(O)CCNCCCCF 03fc2d660984f947118134e471e8d74d [0,2,0,0,0,0|2,0,0]=4 9944 B11R0.40 OCC(O)CNCCCCCCl d37867de457b23d06ede921b34a66b78 [0,2,0,0,0,0|2,0,0]=4 9945 B11R0.40 OCC(O)CNCCCCCF 63b51605ba8b821f50c3dc7251d6cfad [0,2,0,0,0,0|2,0,0]=4 9946 B11R0.40 OCC(O)COCCOCCF 49597466493a1bf802fa7e02848074ca [0,2,0,0,0,0|2,0,0]=4 9947 B11R0.40 OCC(O)COCCOCCS 47204dc73282dca18f3bc6e0a5797d8c [0,2,0,0,0,0|2,0,0]=4 9948 B11R0.40 OCCCCCNCC(Br)CBr 52ee5ed883c28aab59e54c82bcd12fe1 [0,2,0,0,0,0|2,0,0]=4 9949 B11R0.40 OCCCCCNCC(F)CO 51b6ecfe5d19ca3763e5e7e61ec87c3b [0,2,0,0,0,0|2,0,0]=4 9950 B11R0.40 OCCCCCNCC(O)CF f1659790eb36614ad43418628d7cb778 [0,2,0,0,0,0|2,0,0]=4 9951 B11R0.40 OCCCCCNCC(O)CO c50366106ccba004b50c9b57e2e7609c [0,2,0,0,0,0|2,0,0]=4 9952 B11R0.40 OCCCCCNC[C@@H](F)CO fde784e0a0a31a31fe159cddda74a938 [0,2,0,0,0,0|2,0,0]=4 9953 B11R0.40 OCCCCCNC[C@@H](O)CO 01b0c5bae8d8b69d573a024d7b0fc1f7 [0,2,0,0,0,0|2,0,0]=4 9954 B11R0.40 OCCCCCNC[C@H](F)CO 9c6018e3e5c3769e4109449a0ba3d41c [0,2,0,0,0,0|2,0,0]=4 9955 B11R0.40 OCCCCCNC[C@H](O)CO c0ccd98caf268ee485a631a14a7678a0 [0,2,0,0,0,0|2,0,0]=4 9956 B11R0.40 OCCCCNCCC(O)CO b69ee34c8b3a23b0c744d08a66b1572f [0,2,0,0,0,0|2,0,0]=4 9957 B11R0.40 OC[C@@H](F)CNCCCCCF 3ff1f54e81d02f3c6e7e80c51f62a4c6 [0,2,0,0,0,0|2,0,0]=4 9958 B11R0.40 OC[C@@H](O)CNCCCCCCl d88b2858a8cc28ff5af1c5ae7b70d260 [0,2,0,0,0,0|2,0,0]=4 9959 B11R0.40 OC[C@@H](O)CNCCCCCF 69352bd78f5e21e04697a670a895ea3e [0,2,0,0,0,0|2,0,0]=4 9960 B11R0.40 OC[C@@H](O)COCCOCCF b6ec7986cac65622d5b385c9efd70122 [0,2,0,0,0,0|2,0,0]=4 9961 B11R0.40 OC[C@@H](O)COCCOCCS a221c420bfc25fb1ad7d509d84ec7a0a [0,2,0,0,0,0|2,0,0]=4 9962 B11R0.40 OC[C@H](F)CNCCCCCF 8f9131a7a53c5c18f54ea89af1c62302 [0,2,0,0,0,0|2,0,0]=4 9963 B11R0.40 OC[C@H](O)CNCCCCCCl a276d43a4482803a1bfe55af9cb13120 [0,2,0,0,0,0|2,0,0]=4 9964 B11R0.40 OC[C@H](O)CNCCCCCF ae6b59b901a03b2389f2deeb06163507 [0,2,0,0,0,0|2,0,0]=4 9965 B11R0.40 OC[C@H](O)COCCOCCF a06c95cea0652a8a73976f7e9b452312 [0,2,0,0,0,0|2,0,0]=4 9966 B11R0.40 OC[C@H](O)COCCOCCS 25a52b6fce734be1d74b42aea31714ca [0,2,0,0,0,0|2,0,0]=4 9967 B11R0.42 C#CCCCOCC(C)C(C)C 1608fc61e78f4db78115f308fc165ad5 [0,2,0,0,0,0|0,0,2]=4 9968 B11R0.42 C#CCCOCCC(C)C(C)C ab2e239f259379f12d4f5575dfef8d7f [0,2,0,0,0,0|0,0,2]=4 9969 B11R0.42 C/C=C/CCOCC(C)C(C)C bdf5fdee807e8fb1d83b4bb8e18620c0 [0,2,0,0,0,0|0,0,2]=4 9970 B11R0.42 C/C=C/COCCC(C)C(C)C ebd99689c4dc6b8509f0c5f86be8cbfe [0,2,0,0,0,0|0,0,2]=4 9971 B11R0.42 C/C=C\COCCC(C)C(C)C 9f2a34b5eda4c1ae40318324a38532e6 [0,2,0,0,0,0|0,0,2]=4 9972 B11R0.42 C=C(I)[C@H](C)COCCCCC af09ddb52ac189b4899f622b5c1adb9a [0,2,0,0,0,0|0,0,2]=4 9973 B11R0.42 C=CCCCOCC(C)C(C)C 68b2b3d9fa98bc7c9943053b7d879f46 [0,2,0,0,0,0|0,0,2]=4 9974 B11R0.42 C=CCCOCCC(C)C(C)C 6a1ebb78d524e50a9eb81b43c359327a [0,2,0,0,0,0|0,0,2]=4 9975 B11R0.42 CC#CCCOCC(C)C(C)C 9d23b86ef0192b32b69b3e73b46b9633 [0,2,0,0,0,0|0,0,2]=4 9976 B11R0.42 CC(=O)C(C)CCOCCCF 208dba31712eb2c788fb1908cc0c729c [0,2,0,0,0,0|1,0,1]=4 9977 B11R0.42 CC(=O)C(C)COCCCCF 5f4706085ef796aa7f4a8c5a46e0b739 [0,2,0,0,0,0|1,0,1]=4 9978 B11R0.42 CC(C)C(=O)COCCCCF 3912a59726aba50855835a541584b849 [0,2,0,0,0,0|1,0,1]=4 9979 B11R0.42 CC(C)C(=O)COCCCCS 6e94794df1dd87ca794e116edeada7f2 [0,2,0,0,0,0|1,0,1]=4 9980 B11R0.42 CC(C)C(C)CCOCCC#N 38abfcca24557f318056ceb97547151e [0,2,0,0,0,0|1,0,1]=4 9981 B11R0.42 CC(C)C(C)CCOCCC=O 1efad7eeb4a5a203782329712863a691 [0,2,0,0,0,0|1,0,1]=4 9982 B11R0.42 CC(C)C(C)CCOCCCF 1f13f2b131a727e33008a01f281a0914 [0,2,0,0,0,0|1,0,0]=3 9983 B11R0.42 CC(C)C(C)CCOCCCS 051eb776434a265b708d50e609444220 [0,2,0,0,0,0|1,0,0]=3 9984 B11R0.42 CC(C)C(C)CNCCCCCl 5037e50cc0199c0c89d03e8540eddf39 [0,2,0,0,0,0|2,0,0]=4 9985 B11R0.42 CC(C)C(C)CNCCCCO a485050f0e154d7633bc032440114676 [0,2,0,0,0,0|2,0,0]=4 9986 B11R0.42 CC(C)C(C)CNCCCCS b5960b73dfc27fabe24ed1f82a90afd9 [0,2,0,0,0,0|2,0,0]=4 9987 B11R0.42 CC(C)C(C)COCCCC#N ce2f3340d4c7aaac444514802d96ea3e [0,2,0,0,0,0|1,0,1]=4 9988 B11R0.42 CC(C)C(C)COCCCC=O 77b93e90c76011a7072433b10eaa777a [0,2,0,0,0,0|1,0,1]=4 9989 B11R0.42 CC(C)C(C)COCCCCF a4483d24088ac45ce3b7c01814fceba2 [0,2,0,0,0,0|1,0,0]=3 9990 B11R0.42 CC(C)C(C)COCCCCS e4ad536892e4ecf48cf001f3699e73b0 [0,2,0,0,0,0|1,0,0]=3 9991 B11R0.42 CC(C)C(O)CNCCCCF f1ddc9d9a872a0bdef16a0057d6f8c5b [0,2,0,0,0,0|2,0,0]=4 9992 B11R0.42 CC(C)C(O)CNCCCCO 185c25e422127acedfbb9465bcf78abf [0,2,0,0,0,0|2,0,0]=4 9993 B11R0.42 CC(CCOCCCF)N(C)C 6d19e734f736d12456df8c29e8e8c0cc [0,2,0,0,0,0|2,0,0]=4 9994 B11R0.42 CC(CCOCCCS)N(C)C e4952c55f3ce9686ca6f347142ce4cb1 [0,2,0,0,0,0|2,0,0]=4 9995 B11R0.42 CC(COCCCCF)N(C)C ed7920bc3cbd8f82376b799255f3041d [0,2,0,0,0,0|2,0,0]=4 9996 B11R0.42 CC/C=C/COCC(C)C(C)C c57ffb99837ce23934497ba991ce5a39 [0,2,0,0,0,0|0,0,2]=4 9997 B11R0.42 CC/C=C\COCC(C)C(C)C 00f1b96d5e7c224e7b4e3501a0ee1297 [0,2,0,0,0,0|0,0,2]=4 9998 B11R0.42 CCC#CCOCC(C)C(C)C d746421171cf9cc29f17b5367c2caaf8 [0,2,0,0,0,0|0,0,2]=4 9999 B11R0.42 CCCCCCCN(C)C(C)C 7cf81a953655f19776432c0c886e1725 [0,2,0,0,0,0|2,0,0]=4 10000 B11R0.42 CCCCCCNC(C)C(C)C 7d8337e75f3b96f5805cb77a0e1a0981 [0,2,0,0,0,0|2,0,0]=4 10001 B11R0.42 CCCCCCNC(C)C(C)O bd39996b4afe02000d135ea953aea6b6 [0,2,0,0,0,0|2,0,0]=4 10002 B11R0.42 CCCCCCN[C@@H](C)C(C)C 2eb57c4ee7f455076bc500bd38921b78 [0,2,0,0,0,0|2,0,0]=4 10003 B11R0.42 CCCCCCN[C@H](C)C(C)C f9e3306fcfc709f467f3c01f86982871 [0,2,0,0,0,0|2,0,0]=4 10004 B11R0.42 CCCCCCOC(C)C(C)C 92ec7e7fc91a2aa88641a4b033150788 [0,2,0,0,0,0|2,0,0]=4 10005 B11R0.42 CCCCCCOC(C)C(C)S 9fd7043a2cd562637f692c6e1d62b834 [0,2,0,0,0,0|2,0,0]=4 10006 B11R0.42 CCCCCCO[C@@H](C)C(C)C d8f77a28ab08c1a1ad4b14e03e7b662b [0,2,0,0,0,0|2,0,0]=4 10007 B11R0.42 CCCCCCO[C@H](C)C(C)C 96e84e2df9733338cf9779f6e523a33b [0,2,0,0,0,0|2,0,0]=4 10008 B11R0.42 CCCCCNCC(=O)C(C)C 6848f98519c79609b2c1259a00866e45 [0,2,0,0,0,0|1,0,1]=4 10009 B11R0.42 CCCCCNCC(C)C(C)C ed8a8ec5bd50acd60cad1fcdafa6faf8 [0,2,0,0,0,0|1,0,0]=3 10010 B11R0.42 CCCCCNCC(C)N(C)C 33d9e329c71b4cdd21d6de2c555ec5e0 [0,2,0,0,0,0|2,0,0]=4 10011 B11R0.42 CCCCCNCC(O)C(C)C d8a8c846e340a4191dbc1687c8842b23 [0,2,0,0,0,0|1,0,0]=3 10012 B11R0.42 CCCCCNCC(O)C(F)F 3c69c979709d3adbcd275207c2c5f567 [0,2,0,0,0,0|2,0,0]=4 10013 B11R0.42 CCCCCOCC(=O)C(=O)C ab756c609cd1243433b3bef61119a1b5 [0,2,0,0,0,0|0,0,2]=4 10014 B11R0.42 CCCCCOCC(=O)C(C)C b927efb7008f6fb8a6ad45044aa549b8 [0,2,0,0,0,0|0,0,1]=3 10015 B11R0.42 CCCCCOCC(=O)C(F)F b732fbf50c083ea5af2c85ce60d65c71 [0,2,0,0,0,0|1,0,1]=4 10016 B11R0.42 CCCCCOCC(=O)N(C)C 6d405b47b99e3c030238a54a241d634b [0,2,0,0,0,0|1,0,1]=4 10017 B11R0.42 CCCCCOCC(C)C(=O)C 07792cad239f223a05f4315ca1c284a9 [0,2,0,0,0,0|0,0,1]=3 10018 B11R0.42 CCCCCOCC(C)C(=O)O abdc6858bb4bef1d08a29ea26aabc6cc [0,2,0,0,0,0|1,0,1]=4 10019 B11R0.42 CCCCCOCC(C)C(C)C 956b3af97342df30d4c0991b5dd5ee6d [0,2,0,0,0,0|0,0,0]=2 10020 B11R0.42 CCCCCOCC(C)N(C)C 22cf37fdfb27aa4a61f1079f9d39044e [0,2,0,0,0,0|1,0,0]=3 10021 B11R0.42 CCCCCOCC(C)[N+](=O)[O-] fa50f22fbb38b24905202166e994e9e4 [0,2,0,0,0,0|2,0,0]=4 10022 B11R0.42 CCCCCOC[C@@H](C)C(=O)O c0e8d04b997b71c90836c735580fb74d [0,2,0,0,0,0|1,0,1]=4 10023 B11R0.42 CCCCCOC[C@@H](C)N(C)C fb1d21ef574494c936df2abe0bb74f66 [0,2,0,0,0,0|1,0,0]=3 10024 B11R0.42 CCCCCOC[C@H](C)C(=O)O e68c2b0f49fdf9ce2ac4956f8f5292fa [0,2,0,0,0,0|1,0,1]=4 10025 B11R0.42 CCCCCOC[C@H](C)N(C)C 2ecbb9e6eb1492a931be11dbb9c258d2 [0,2,0,0,0,0|1,0,0]=3 10026 B11R0.42 CCCCNCCC(C)N(C)C f82b01c6fb5b7d450c473e94dd68fd7b [0,2,0,0,0,0|2,0,0]=4 10027 B11R0.42 CCCCNCCN(C)C(C)C 5cfc45ebce45ec39bd5a533d67c57220 [0,2,0,0,0,0|2,0,0]=4 10028 B11R0.42 CCCCNCC[C@@H](C)N(C)C 0995a7cefbf1cc3969048f762784a254 [0,2,0,0,0,0|2,0,0]=4 10029 B11R0.42 CCCCNCC[C@H](C)N(C)C d875412c6b20fabc4a9ebf993121e7a4 [0,2,0,0,0,0|2,0,0]=4 10030 B11R0.42 CCCCOCCC(=O)N(C)C db843eb1293596755e9a78777a1ee0fb [0,2,0,0,0,0|1,0,1]=4 10031 B11R0.42 CCCCOCCC(C)C(C)C 4ad421531eedcf708a48079417cbe6d2 [0,2,0,0,0,0|0,0,0]=2 10032 B11R0.42 CCCCOCCC(C)N(C)C b259cab9deedeb69c9b9c6915ff553f0 [0,2,0,0,0,0|1,0,0]=3 10033 B11R0.42 CCCCOCCN(C)C(=O)C 0803aa23847a6415ad661b1e3f8aa6a4 [0,2,0,0,0,0|1,0,1]=4 10034 B11R0.42 CCCCOCCN(C)C(C)C b3ca19386bedb702ff5bc146dbb4a3ff [0,2,0,0,0,0|1,0,0]=3 10035 B11R0.42 CCCCOCNC(=O)C(C)C 10b31bb9e483f321b8bfb5b71810a381 [0,2,0,0,0,0|1,0,1]=4 10036 B11R0.42 CCCCOCNC(C)C(C)C 59a24eb283a3d6800a82f6e9387059ba [0,2,0,0,0,0|1,0,0]=3 10037 B11R0.42 CCCCOCNC(C)C(C)O 549b9d2d3d671f1e536f5f7e4048d878 [0,2,0,0,0,0|1,0,0]=3 10038 B11R0.42 CCCCOCN[C@@H](C)C(C)C 8b0252c939da5cde7b77c5822ebdb6bb [0,2,0,0,0,0|1,0,0]=3 10039 B11R0.42 CCCCOCN[C@@H](C)C(F)F 4ac252d09e85c1a1c8fd1e7df380c7f3 [0,2,0,0,0,0|2,0,0]=4 10040 B11R0.42 CCCCOCN[C@H](C)C(C)C 96db81a91ae875f1af1d1cfb8bbe148e [0,2,0,0,0,0|1,0,0]=3 10041 B11R0.42 CCCCOCN[C@H](C)C(F)F 6ede1b91a667d765bf27b47736dbe82a [0,2,0,0,0,0|2,0,0]=4 10042 B11R0.42 CCCCOCOC(=O)C(C)C f2f1cb7941a1a460a2293d201b26c30d [0,2,0,0,0,0|1,0,1]=4 10043 B11R0.42 CCCCOCOC(C)C(=O)C 3ddc304c113f47dd2d4453dbeafba946 [0,2,0,0,0,0|1,0,1]=4 10044 B11R0.42 CCCCOCOC(C)C(C)C d0b2f02c3846d79c7895f2f019a013a7 [0,2,0,0,0,0|1,0,0]=3 10045 B11R0.42 CCCCOCOC(C)C(C)S 6069b758795672a7480fd4093306887a [0,2,0,0,0,0|1,0,0]=3 10046 B11R0.42 CCCCOCOC(C)C(F)F df1163479774627622354fd4e5afb18b [0,2,0,0,0,0|2,0,0]=4 10047 B11R0.42 CCCCOCO[C@@H](C)C(C)C d4a4393e461cb67593d6d19d34946383 [0,2,0,0,0,0|1,0,0]=3 10048 B11R0.42 CCCCOCO[C@H](C)C(C)C 45a259ca39e126f44eaaed28d202c0fa [0,2,0,0,0,0|1,0,0]=3 10049 B11R0.42 CCOCCNCC(C)C(C)C 451e21364d74f4bbdd99794e617f6a8d [0,2,0,0,0,0|2,0,0]=4 10050 B11R0.42 CCOCCNCC(O)C(C)C 755d1ea0cc27331ed443ac47b6f1afe3 [0,2,0,0,0,0|2,0,0]=4 10051 B11R0.42 CCOCCOCC(=O)C(C)C 8e59a784294d8bbcd585dc035674830e [0,2,0,0,0,0|1,0,1]=4 10052 B11R0.42 CCOCCOCC(C)C(=O)C 5f73348461ca14a455e162f0ee56a348 [0,2,0,0,0,0|1,0,1]=4 10053 B11R0.42 CCOCCOCC(C)C(C)C c2b66644ade156c3e6b7aa26a1878054 [0,2,0,0,0,0|1,0,0]=3 10054 B11R0.42 CCOCCOCC(C)N(C)C 22c52c6f3285d0fcdc77382e5e6073eb [0,2,0,0,0,0|2,0,0]=4 10055 B11R0.42 CCOCCOC[C@@H](C)N(C)C 68e6340a07fd60355ff3b5ff70d3271b [0,2,0,0,0,0|2,0,0]=4 10056 B11R0.42 CCOCCOC[C@H](C)N(C)C 060176a1fe5ea6a0587b5523bcd551ab [0,2,0,0,0,0|2,0,0]=4 10057 B11R0.42 CCOCOCCC(C)C(C)C ef7eb2a3ece0bb450cfc8771dcbf5dde [0,2,0,0,0,0|1,0,0]=3 10058 B11R0.42 CCOCOCCC(C)N(C)C 82bbfb8642fef4e2cef5b95f085afcb0 [0,2,0,0,0,0|2,0,0]=4 10059 B11R0.42 CCSCCNCC(C)C(C)C 28e3caae0068c56ca90ec1266bc0d811 [0,2,0,0,0,0|2,0,0]=4 10060 B11R0.42 CCSCCNCC(O)C(C)C fd9a4ff55fada74462fc29bd0b49ddd3 [0,2,0,0,0,0|2,0,0]=4 10061 B11R0.42 CCSCCOCC(=O)C(C)C 81daa7c8599b426ca7d558e93dde3722 [0,2,0,0,0,0|1,0,1]=4 10062 B11R0.42 CCSCCOCC(C)C(=O)C f59393c48c5e33f62bff7a075b9a75cd [0,2,0,0,0,0|1,0,1]=4 10063 B11R0.42 CCSCCOCC(C)C(C)C b5990f28e4b1f483f37035d7a443672c [0,2,0,0,0,0|1,0,0]=3 10064 B11R0.42 CCSCCOCC(C)N(C)C a7b56ffb858772d0e999124e020dff41 [0,2,0,0,0,0|2,0,0]=4 10065 B11R0.42 CCSCCOC[C@@H](C)N(C)C 55325b48d22cf011cd3dd4d6387bb7ab [0,2,0,0,0,0|2,0,0]=4 10066 B11R0.42 CCSCCOC[C@H](C)N(C)C 012b724a8bef10383bbfebfb140871ce [0,2,0,0,0,0|2,0,0]=4 10067 B11R0.42 COCCCNCC(C)C(C)C 684cca6626a01c0ac1fd6027f8a84def [0,2,0,0,0,0|2,0,0]=4 10068 B11R0.42 COCCCNCC(O)C(C)C 921f348be5a37201f1ad8dde1bcf3915 [0,2,0,0,0,0|2,0,0]=4 10069 B11R0.42 COCCCOCC(=O)C(C)C b36ea72898d7f02e1a36ef085ab74f32 [0,2,0,0,0,0|1,0,1]=4 10070 B11R0.42 COCCCOCC(C)C(=O)C 32a19b833fea4b19e782727363cb532b [0,2,0,0,0,0|1,0,1]=4 10071 B11R0.42 COCCCOCC(C)C(C)C c9c8d3bc70d12f62eb61a0fa4288f34c [0,2,0,0,0,0|1,0,0]=3 10072 B11R0.42 COCCCOCC(C)N(C)C 2db9d09398624266860cb9dabcbfa2f4 [0,2,0,0,0,0|2,0,0]=4 10073 B11R0.42 COCCCOC[C@@H](C)N(C)C 8a50ef632ceb893cdcc4eceedb8a999d [0,2,0,0,0,0|2,0,0]=4 10074 B11R0.42 COCCCOC[C@H](C)N(C)C 045849fe518ba6429f8b0182e0507686 [0,2,0,0,0,0|2,0,0]=4 10075 B11R0.42 COCCOCCC(C)C(C)C 4a6583cb50dbae8ccaee0670349efdab [0,2,0,0,0,0|1,0,0]=3 10076 B11R0.42 COCCOCCC(C)N(C)C 8b677b921c4fbfe591505f67a9d6fd47 [0,2,0,0,0,0|2,0,0]=4 10077 B11R0.42 COCCOCCN(C)C(C)C 1d1b22f94b25a5dff1c873039482fc6f [0,2,0,0,0,0|2,0,0]=4 10078 B11R0.42 COCCOCNC(C)C(C)C 1dce254eb90e456bc9d6e1dc3056a000 [0,2,0,0,0,0|2,0,0]=4 10079 B11R0.42 COCCOCNC(C)C(C)O 91f16da41b088290e5799cae741fe4dd [0,2,0,0,0,0|2,0,0]=4 10080 B11R0.42 COCCOCN[C@@H](C)C(C)C 833dddc3e8d373e3519ace9551657921 [0,2,0,0,0,0|2,0,0]=4 10081 B11R0.42 COCCOCN[C@H](C)C(C)C 2466592f072ee487dccfb97bc443636f [0,2,0,0,0,0|2,0,0]=4 10082 B11R0.42 COCCOCOC(C)C(C)C ef3840c0b9d9de3a0534fe653f0e55dc [0,2,0,0,0,0|2,0,0]=4 10083 B11R0.42 COCCOCOC(C)C(C)S 8585a5b4cb2b260969407c43744f433b [0,2,0,0,0,0|2,0,0]=4 10084 B11R0.42 COCCOCO[C@@H](C)C(C)C 325b945cb2be6a1543676d26a774cd2d [0,2,0,0,0,0|2,0,0]=4 10085 B11R0.42 COCCOCO[C@H](C)C(C)C 6072974c8ca3fff763cf1061277e07e1 [0,2,0,0,0,0|2,0,0]=4 10086 B11R0.42 CSCCCNCC(C)C(C)C b3f4ed46f5fc2e952d4d5ae634e80e58 [0,2,0,0,0,0|2,0,0]=4 10087 B11R0.42 CSCCCNCC(O)C(C)C fd8e60f8e69c2632bfcc82961195d219 [0,2,0,0,0,0|2,0,0]=4 10088 B11R0.42 CSCCCOCC(=O)C(C)C 33918fc7673b3cc748fde1eac65c4a82 [0,2,0,0,0,0|1,0,1]=4 10089 B11R0.42 CSCCCOCC(C)C(=O)C e2004c9ac3b4dd9b8d0d1b3f6a141bc0 [0,2,0,0,0,0|1,0,1]=4 10090 B11R0.42 CSCCCOCC(C)C(C)C e3860c1331fdecc16c276b9a4fbceac6 [0,2,0,0,0,0|1,0,0]=3 10091 B11R0.42 CSCCCOCC(C)N(C)C 44b570382fb8686d7f932ab3d5184085 [0,2,0,0,0,0|2,0,0]=4 10092 B11R0.42 CSCCCOC[C@@H](C)N(C)C a9672d3b430a32e9b641d044cdf4ae70 [0,2,0,0,0,0|2,0,0]=4 10093 B11R0.42 CSCCCOC[C@H](C)N(C)C e60895f744861862f574fca993f1c7eb [0,2,0,0,0,0|2,0,0]=4 10094 B11R0.42 CSCCOCCC(C)C(C)C 1ac129fee5ce18496568a2014b414abc [0,2,0,0,0,0|1,0,0]=3 10095 B11R0.42 CSCCOCCC(C)N(C)C 6417eeadc425f5a427a6f7b22b2d24af [0,2,0,0,0,0|2,0,0]=4 10096 B11R0.42 C[C@@H](COCCCCF)N(C)C c8a9189e429b62a73e4a82b5138d95ef [0,2,0,0,0,0|2,0,0]=4 10097 B11R0.42 C[C@H](COCCCCF)N(C)C 26fd6d24bf2df5dc2181b3e377694712 [0,2,0,0,0,0|2,0,0]=4 10098 B11R0.46 C#CCCOC(C)CCC(C)C c9b19fb6c194f257a3eb37dee2495cb9 [0,2,0,0,0,0|0,0,2]=4 10099 B11R0.46 C/C=C/COC(C)CCC(C)C 2be69d692c04e1c6915469758051e9f2 [0,2,0,0,0,0|0,0,2]=4 10100 B11R0.46 C/C=C\COC(C)CCC(C)C c45fb989e209ac5a331f6e43585b2ba9 [0,2,0,0,0,0|0,0,2]=4 10101 B11R0.46 C=C(C)CCN(C)CCCCC 1912c8981f22a10158c51bfdc9fda78f [0,2,0,0,0,0|1,0,1]=4 10102 B11R0.46 C=CCCOC(C)CCC(C)C fde3c7c683ad372ef472f20093cc34a5 [0,2,0,0,0,0|0,0,2]=4 10103 B11R0.46 CC#CCOC(C)CCC(C)C b52eee3d19370d1d90c98be481a97e9b [0,2,0,0,0,0|0,0,2]=4 10104 B11R0.46 CC(C)CCC(C)NCCCCl 9d4ab7debb8c82ed4260768983be20f9 [0,2,0,0,0,0|2,0,0]=4 10105 B11R0.46 CC(C)CCC(C)NCCCF 56e6223af3e791587cb317b80c93f53e [0,2,0,0,0,0|2,0,0]=4 10106 B11R0.46 CC(C)CCC(C)NCCCO 4af4a4f1be4e6b69f53701ffb70431fc [0,2,0,0,0,0|2,0,0]=4 10107 B11R0.46 CC(C)CCC(C)NCCCS 102406142fb3e921728e45fb8b448124 [0,2,0,0,0,0|2,0,0]=4 10108 B11R0.46 CC(C)CCC(C)OCCC#N 42a7923e96c13a80f9157dc5ff64e662 [0,2,0,0,0,0|1,0,1]=4 10109 B11R0.46 CC(C)CCC(C)OCCC=O 4e6da52095aedecf8f59c3f5fe27138a [0,2,0,0,0,0|1,0,1]=4 10110 B11R0.46 CC(C)CCC(C)OCCCF 38624470d22a47b62f5156714eb774ec [0,2,0,0,0,0|1,0,0]=3 10111 B11R0.46 CC(C)CCC(C)OCCCS 650dc835232182b4d153d9e39940e400 [0,2,0,0,0,0|1,0,0]=3 10112 B11R0.46 CC(C)CCN(C)CCCCF c1a7398ac1a3da1557d83d5e154a2480 [0,2,0,0,0,0|2,0,0]=4 10113 B11R0.46 CC(C)CCN(C)CCCCO 1fbe614a93164e16826ee48032eec35f [0,2,0,0,0,0|2,0,0]=4 10114 B11R0.46 CC(C)OCC(C)OCCCF 6ff63f8f988f93d089a0f0b679b9b198 [0,2,0,0,0,0|2,0,0]=4 10115 B11R0.46 CC(C)OCC(C)OCCCS 0c398b1c9d4505bed5f82708aba2ffb8 [0,2,0,0,0,0|2,0,0]=4 10116 B11R0.46 CC(C)OC[C@H](C)OCCCF 4d92c0bc9946b89ba830c7de3e4973c1 [0,2,0,0,0,0|2,0,0]=4 10117 B11R0.46 CC(C)OC[C@H](C)OCCCS d0a6f3a7a3ebb8aecd67f69eab0fd46d [0,2,0,0,0,0|2,0,0]=4 10118 B11R0.46 CC(CCN(C)C)OCCCF 79c63246fbf0589ec640017b28ad2d04 [0,2,0,0,0,0|2,0,0]=4 10119 B11R0.46 CC(CCN(C)C)OCCCS fb4cc10c7f349621d9c991853ea1ab84 [0,2,0,0,0,0|2,0,0]=4 10120 B11R0.46 CC(O)CCN(C)CCCCF 7968bab90b894535bb2dbbb91f3d93d4 [0,2,0,0,0,0|2,0,0]=4 10121 B11R0.46 CC(O)CCN(C)CCCCO 125106fa20763a2de23c023218ae6db0 [0,2,0,0,0,0|2,0,0]=4 10122 B11R0.46 CC=CCOC(C)CCC(C)C 37e2688987087d41dfee0067b3b3bf6c [0,2,0,0,0,0|0,0,2]=4 10123 B11R0.46 CCCCCC(=O)COC(C)C f4a75465bb71332bbe66328ae27f1030 [0,2,0,0,0,0|2,0,0]=4 10124 B11R0.46 CCCCCC(=O)NCC(C)C cc6df7a020818c516a69acc1b1fdb708 [0,2,0,0,0,0|2,0,0]=4 10125 B11R0.46 CCCCCC(=O)NCC(C)O 05f56c5405c5e4ab6efccb9ccc3eb9e2 [0,2,0,0,0,0|2,0,0]=4 10126 B11R0.46 CCCCCC(=O)NC[C@@H](C)O 9ce11b18501ba715b77c5295184f797d [0,2,0,0,0,0|2,0,0]=4 10127 B11R0.46 CCCCCC(=O)NC[C@H](C)O 854c0186202639065caeea0f38f58624 [0,2,0,0,0,0|2,0,0]=4 10128 B11R0.46 CCCCCC(C)COC(C)C 9053163623355221c96e2809e8285f56 [0,2,0,0,0,0|2,0,0]=4 10129 B11R0.46 CCCCCC(C)NCC(C)C 39ccf3ed15ce629e5f9edd219d15f9f7 [0,2,0,0,0,0|2,0,0]=4 10130 B11R0.46 CCCCCC(C)NCC(C)O 8d096a163ae65b6b7900d3db60d0a95c [0,2,0,0,0,0|2,0,0]=4 10131 B11R0.46 CCCCCC(C)NC[C@@H](C)O 3522d654fea5db0a10b9d40e98d9e7ef [0,2,0,0,0,0|2,0,0]=4 10132 B11R0.46 CCCCCC(C)NC[C@H](C)O 2a4ea60fb83a2255736c97ce0a177f85 [0,2,0,0,0,0|2,0,0]=4 10133 B11R0.46 CCCCCC(C)OCC(C)C 1d18fd286cde1ceaeaa8b0abf6a93410 [0,2,0,0,0,0|2,0,0]=4 10134 B11R0.46 CCCCCC(C)OCC(C)F 8e4f0bba36166b28688d9ed0310e8237 [0,2,0,0,0,0|2,0,0]=4 10135 B11R0.46 CCCCCC(C)OCC(C)S 09c8175e61cc24152d0c3cacef3120a6 [0,2,0,0,0,0|2,0,0]=4 10136 B11R0.46 CCCCCC(C)OC[C@@H](C)F 52bc747c961c111a8b658aa38da25dc3 [0,2,0,0,0,0|2,0,0]=4 10137 B11R0.46 CCCCCC(C)OC[C@H](C)F cc2b0e6b214b7940ac9afb7b6d619398 [0,2,0,0,0,0|2,0,0]=4 10138 B11R0.46 CCCCCN(C)CCC(=O)C 276c20c223d691194a14135a8e6444f1 [0,2,0,0,0,0|1,0,1]=4 10139 B11R0.46 CCCCCN(C)CCC(C)C 622a55653917583f2dcad08a870ed313 [0,2,0,0,0,0|1,0,0]=3 10140 B11R0.46 CCCCCN(C)CCC(C)O 6b55c33b8a4ddc6cc04a532cd3352f43 [0,2,0,0,0,0|1,0,0]=3 10141 B11R0.46 CCCCCN(C)CCC(F)F e3c80f40bf1557c54f2b7dac9fc0a932 [0,2,0,0,0,0|2,0,0]=4 10142 B11R0.46 CCCCCN(C)CCN(C)C eb0aad75f13fa936cf872146f59c334e [0,2,0,0,0,0|2,0,0]=4 10143 B11R0.46 CCCCCN(C)CCS(=O)C 40100521aa136426c2e1c4ace0582e71 [0,2,0,0,0,0|2,0,0]=4 10144 B11R0.46 CCCCCN(C)COC(C)C f1b099cd795d50fedc8e0a7190a3ba3a [0,2,0,0,0,0|2,0,0]=4 10145 B11R0.46 CCCCC[C@@H](C)OCC(C)C b96910c6949611e186b23b21e754dd80 [0,2,0,0,0,0|2,0,0]=4 10146 B11R0.46 CCCCC[C@H](C)NCC(C)C 82aac0d70d5025e82eced4e5c31da05a [0,2,0,0,0,0|2,0,0]=4 10147 B11R0.46 CCCCC[C@H](C)NCC(C)O ddf4a414a4658112aea39bd574feab88 [0,2,0,0,0,0|2,0,0]=4 10148 B11R0.46 CCCCC[C@H](C)NC[C@@H](C)O 7ac1ea2e7586982ed81575c7feb010c3 [0,2,0,0,0,0|2,0,0]=4 10149 B11R0.46 CCCCC[C@H](C)NC[C@H](C)O 16d154322fca42dff42bdb0ca7037b2d [0,2,0,0,0,0|2,0,0]=4 10150 B11R0.46 CCCCC[C@H](C)OCC(C)C 4a8ab729ca6c2eab405250dc8bc0b6c5 [0,2,0,0,0,0|2,0,0]=4 10151 B11R0.46 CCCCC[C@H](C)OCC(C)F e557ed96f2a7ca1d6757ffd266816de6 [0,2,0,0,0,0|2,0,0]=4 10152 B11R0.46 CCCCC[C@H](C)OCC(C)S fb1e7157fbb13db10a4eb85263e767fd [0,2,0,0,0,0|2,0,0]=4 10153 B11R0.46 CCCCC[C@H](C)OC[C@@H](C)F 75bebde410ac47ed34e3085c45665a06 [0,2,0,0,0,0|2,0,0]=4 10154 B11R0.46 CCCCC[C@H](C)OC[C@H](C)F 3d7dd8af7cac16578eaa95b5b4c1760d [0,2,0,0,0,0|2,0,0]=4 10155 B11R0.46 CCCCNC(=O)CCC(C)C d88ea30bead5b4e9534f9e2d9e94ca09 [0,2,0,0,0,0|1,0,1]=4 10156 B11R0.46 CCCCNC(=O)CCC(C)O 5b7a8f50327128a00920c1a1da593825 [0,2,0,0,0,0|1,0,1]=4 10157 B11R0.46 CCCCNC(=O)CCC(C)S 573fb1a30fd2e148762d23686de5f6d0 [0,2,0,0,0,0|1,0,1]=4 10158 B11R0.46 CCCCNC(=O)CC[C@H](C)S 6d22dc5414db75479ab6c88b82d5b3e7 [0,2,0,0,0,0|1,0,1]=4 10159 B11R0.46 CCCCNC(C)CCC(C)C b7ba04217753f52812477c03d12a7295 [0,2,0,0,0,0|1,0,0]=3 10160 B11R0.46 CCCCNC(C)CCN(C)C a7cd595a76aca9c8e1d3bcb926d109db [0,2,0,0,0,0|2,0,0]=4 10161 B11R0.46 CCCCN[C@@H](C)CCN(C)C 1af1fdc38146aa51d109139f680bed45 [0,2,0,0,0,0|2,0,0]=4 10162 B11R0.46 CCCCN[C@H](C)CCN(C)C 7cf7ba41de064d39492998aa1585f741 [0,2,0,0,0,0|2,0,0]=4 10163 B11R0.46 CCCCOC(=O)COC(C)C f1afab10d32abaff9d136b1ef9fbbfb8 [0,2,0,0,0,0|1,0,1]=4 10164 B11R0.46 CCCCOC(C)CCC(=O)O 650839c4954f706a638df6d6a91762ae [0,2,0,0,0,0|1,0,1]=4 10165 B11R0.46 CCCCOC(C)CCC(C)C d8318de7d22e40e8d232b26061ce0159 [0,2,0,0,0,0|0,0,0]=2 10166 B11R0.46 CCCCOC(C)CCN(C)C f5a8db963d49f6bc61129a7348ffcbbc [0,2,0,0,0,0|1,0,0]=3 10167 B11R0.46 CCCCOC(C)CNC(=O)C b006ba6bc87ed72d38af7f6433391dfe [0,2,0,0,0,0|1,0,1]=4 10168 B11R0.46 CCCCOC(C)COC(=O)C e529f8a0c758092e8a3e7cbf9deefcd3 [0,2,0,0,0,0|1,0,1]=4 10169 B11R0.46 CCCCOC(C)COC(C)C 58c753d577fc1689f8d10f2c4e3741ae [0,2,0,0,0,0|1,0,0]=3 10170 B11R0.46 CCCCO[C@@H](C)COC(C)C 4c367b5a8ee8842abf1b741110956d53 [0,2,0,0,0,0|1,0,0]=3 10171 B11R0.46 CCCNCC(C)CCC(C)C da70062cca3cadb06fc010503e98e93a [0,2,0,0,0,0|2,0,0]=4 10172 B11R0.46 CCCOCC(C)CCC(C)C e855aec7c315ec61ff8d51d68d0a57ed [0,2,0,0,0,0|2,0,0]=4 10173 B11R0.46 CCOCCN(C)CCC(C)C 09805ac65ce7c30dd25e907c756bc13e [0,2,0,0,0,0|2,0,0]=4 10174 B11R0.46 CCOCCN(C)CCC(C)O 9f47cea6dfc8af549b2550a4c4f24c56 [0,2,0,0,0,0|2,0,0]=4 10175 B11R0.46 CCOCNC(C)CCC(C)C 22c36fdd964b1ec39f95cc0cab46aa24 [0,2,0,0,0,0|2,0,0]=4 10176 B11R0.46 CCOCOC(C)COC(C)C c6be08de5c71050054d885e67ebe4870 [0,2,0,0,0,0|2,0,0]=4 10177 B11R0.46 CCOCO[C@@H](C)COC(C)C 3fdd75cd2aac8845fa690b41a0375975 [0,2,0,0,0,0|2,0,0]=4 10178 B11R0.46 CCSCCN(C)CCC(C)C b48469d99b53adc16a5e2f5feef85f3b [0,2,0,0,0,0|2,0,0]=4 10179 B11R0.46 CCSCCN(C)CCC(C)O f97329f38775bf6d5773f0a5dbad3d15 [0,2,0,0,0,0|2,0,0]=4 10180 B11R0.46 COCCCN(C)CCC(C)C 54dcdbd62c8ec359fda7fac858eb93b6 [0,2,0,0,0,0|2,0,0]=4 10181 B11R0.46 COCCCN(C)CCC(C)O 7e83c968199fc6be019731136a39ef63 [0,2,0,0,0,0|2,0,0]=4 10182 B11R0.46 COCCNC(C)CCC(C)C 4b07c32d0b50a601d2a1590a72de1922 [0,2,0,0,0,0|2,0,0]=4 10183 B11R0.46 COCCOC(C)CCC(C)C 4ef46580c21db404b426f3cfeb1ec4d9 [0,2,0,0,0,0|1,0,0]=3 10184 B11R0.46 COCCOC(C)CCN(C)C 8af7703edbaf3a534fc3b46d614386d3 [0,2,0,0,0,0|2,0,0]=4 10185 B11R0.46 COCCOC(C)COC(C)C 9907c7926a76bb74bc605276ff118914 [0,2,0,0,0,0|2,0,0]=4 10186 B11R0.46 COCCO[C@@H](C)COC(C)C eb2657fe4563aec4954cff5dbeb73b7f [0,2,0,0,0,0|2,0,0]=4 10187 B11R0.46 CSCCCN(C)CCC(C)C 1c70c44100a5fc902973983337beceec [0,2,0,0,0,0|2,0,0]=4 10188 B11R0.46 CSCCCN(C)CCC(C)O d21f01f135a6443675c556f2141835e6 [0,2,0,0,0,0|2,0,0]=4 10189 B11R0.46 CSCCNC(C)CCC(C)C 4ca678c4613af3ab6a4d39be1e855e6d [0,2,0,0,0,0|2,0,0]=4 10190 B11R0.46 CSCCOC(C)CCC(C)C d80485a918cb38b512513a1d2d324634 [0,2,0,0,0,0|1,0,0]=3 10191 B11R0.46 CSCCOC(C)CCN(C)C f223f2b132961b87d5720f6ec5cc164e [0,2,0,0,0,0|2,0,0]=4 10192 B11R0.46 CSCCOC(C)COC(C)C da37c25fd79bfee8e8197cb75ccb1fd2 [0,2,0,0,0,0|2,0,0]=4 10193 B11R0.46 CSCCO[C@@H](C)COC(C)C 9836a29eecc0552dfb4e64b8c16e363d [0,2,0,0,0,0|2,0,0]=4 10194 B11R0.111 C=C(Br)CCOCCC(C)CC d70a48341e6b14d9b88863864657e293 [0,2,0,0,0,0|0,0,2]=4 10195 B11R0.111 C=C(C)CCCNCC(C)CC f6994c7ca96db64d276957c9c7f6648e [0,2,0,0,0,0|1,0,1]=4 10196 B11R0.111 C=C(C)CCCNCC(O)CC 958f8579fc67c60be5a4408d084edb1e [0,2,0,0,0,0|1,0,1]=4 10197 B11R0.111 C=C(C)CCCNC[C@@H](C)CC cb47eeade2bda66ee4f9401249a12e73 [0,2,0,0,0,0|1,0,1]=4 10198 B11R0.111 C=C(C)CCCNC[C@H](O)CC 7e4dff5eb38eb174592a3002d19e9842 [0,2,0,0,0,0|1,0,1]=4 10199 B11R0.111 C=C(C)CCCOCC(=C)CC 79859c65343bd5c3c894e1ad2eecdb6a [0,2,0,0,0,0|0,0,2]=4 10200 B11R0.111 C=C(C)CCCOCC(=O)CC ff06322f62a4f7ab046aac1004217f92 [0,2,0,0,0,0|0,0,2]=4 10201 B11R0.111 C=C(C)CCCOCC(Br)CBr fb135e29290955c423ed75c09e8ffd8a [0,2,0,0,0,0|1,0,1]=4 10202 B11R0.111 C=C(C)CCCOCC(C)CC e0aeee5adca2e1d5b81c8d3d607da159 [0,2,0,0,0,0|0,0,1]=3 10203 B11R0.111 C=C(C)CCCOCC(C)OC e5da3db4753b555929b83cb1aa616092 [0,2,0,0,0,0|1,0,1]=4 10204 B11R0.111 C=C(C)CCCOCC(Cl)CCl 290e5ed963968c35809c6d266528421d [0,2,0,0,0,0|1,0,1]=4 10205 B11R0.111 C=C(C)CCCOCC(O)CO 19e375b687328319edb7e9d1e58a06eb [0,2,0,0,0,0|1,0,1]=4 10206 B11R0.111 C=C(C)CCCOCC(S)CS 858191f6d662a026121de3120e104a78 [0,2,0,0,0,0|1,0,1]=4 10207 B11R0.111 C=C(C)CCCOC[C@@H](C)CC 3cc25994e8adae5c387cad627fa643fc [0,2,0,0,0,0|0,0,1]=3 10208 B11R0.111 C=C(C)CCCOC[C@@H](C)OC 1e8f1a605103f839f7294e48065afeb9 [0,2,0,0,0,0|1,0,1]=4 10209 B11R0.111 C=C(C)CCCOC[C@@H](O)CO 83c81b6bb3750ea729de0b9dd7fcb222 [0,2,0,0,0,0|1,0,1]=4 10210 B11R0.111 C=C(C)CCCOC[C@H](C)CC 6b0f5f9708d9ffd627a03700d892d3e4 [0,2,0,0,0,0|0,0,1]=3 10211 B11R0.111 C=C(C)CCCOC[C@H](C)OC b0029a5ec8e2ec32ea7cd872ff3a7ec7 [0,2,0,0,0,0|1,0,1]=4 10212 B11R0.111 C=C(C)CCCOC[C@H](O)CO a9d5a28d3777f6e7e4ff15b88330ed63 [0,2,0,0,0,0|1,0,1]=4 10213 B11R0.111 C=C(C)CCNCCC(C)CC 317cb81be8ec8df436e96838beef43da [0,2,0,0,0,0|1,0,1]=4 10214 B11R0.111 C=C(C)CCOCCC(C)CC c0a1a691d461fa0f8fd255f19836dba8 [0,2,0,0,0,0|0,0,1]=3 10215 B11R0.111 C=C(C)CCOCCC(C)OC 3a6c870712a6f874762b5bc65ad319e2 [0,2,0,0,0,0|1,0,1]=4 10216 B11R0.111 C=C(C)CCOCCC(S)CC 77dee2e21e39ba64b3110ba00fa86a97 [0,2,0,0,0,0|0,0,1]=3 10217 B11R0.111 C=C(C)CCOCCS(=O)CC 3aece520b5179e8d71c62e15122fd137 [0,2,0,0,0,0|1,0,1]=4 10218 B11R0.111 C=C(C)CCOCC[C@@H](C)CC 4c364e4073c93480ecaec240c3647ce8 [0,2,0,0,0,0|0,0,1]=3 10219 B11R0.111 C=C(CC)CNCCCC(C)C 580b15f2340b55e41ca849a357a33fb3 [0,2,0,0,0,0|1,0,1]=4 10220 B11R0.111 C=C(CC)COCCCC(=O)C 6df7ccea2ac98de76d4475324ff71101 [0,2,0,0,0,0|0,0,2]=4 10221 B11R0.111 C=C(CC)COCCCC(C)C 207a4579bbe3535201417ca163538563 [0,2,0,0,0,0|0,0,1]=3 10222 B11R0.111 C=C(CC)COCCCN(C)C b11f8a2ec2be1c56f4f2510af5701aed [0,2,0,0,0,0|1,0,1]=4 10223 B11R0.111 C=C(CC)COCCOC(C)C 99c82f6b29798f7eaacf02921d1d4e44 [0,2,0,0,0,0|1,0,1]=4 10224 B11R0.111 C=C(CC)COCCSC(C)C 7142d26eb46b4cf1d2eb029435a11fc0 [0,2,0,0,0,0|1,0,1]=4 10225 B11R0.111 C=C(COCCCC(C)C)OC 43615f3e68ebd985436a142611036df9 [0,2,0,0,0,0|1,0,1]=4 10226 B11R0.111 C=CC(C)COCCCC(C)C 7b48b94583287d0d2f34cb9d94eb16c4 [0,2,0,0,0,0|0,0,2]=4 10227 B11R0.111 CC(=O)CCCOCC(Br)CBr f688bf251b214f2f432578281f3c1ea9 [0,2,0,0,0,0|1,0,1]=4 10228 B11R0.111 CC(=O)CCCOCC(Cl)CCl 2d368d5a2d022eb8dbf8b28eba58e786 [0,2,0,0,0,0|1,0,1]=4 10229 B11R0.111 CC(=O)CCCOCC(O)CO 55b7b959cb16ee7daf52fa45d19fb84b [0,2,0,0,0,0|1,0,1]=4 10230 B11R0.111 CC(=O)CCCOCC(S)CS 6d7b6e41b07251bcac37d0007a8704bd [0,2,0,0,0,0|1,0,1]=4 10231 B11R0.111 CC(=O)CCCOC[C@@H](O)CO db02ed83f28e7407d4a6b33db4d80eb6 [0,2,0,0,0,0|1,0,1]=4 10232 B11R0.111 CC(=O)CCCOC[C@H](O)CO 31de36d01156384364220fae5cb4761b [0,2,0,0,0,0|1,0,1]=4 10233 B11R0.111 CC(C)CCCNCC(Br)CBr 1e470a08bc257760be6b442d2a1221c0 [0,2,0,0,0,0|2,0,0]=4 10234 B11R0.111 CC(C)CCCNCC(C)CO 717797293e8376753d75164f5b05b8b5 [0,2,0,0,0,0|2,0,0]=4 10235 B11R0.111 CC(C)CCCNCC(F)CO b5fb027e6569ab55600217789085bac3 [0,2,0,0,0,0|2,0,0]=4 10236 B11R0.111 CC(C)CCCNCC(O)CF f69fa727d82dbb9178f912b91b5e3c2b [0,2,0,0,0,0|2,0,0]=4 10237 B11R0.111 CC(C)CCCNCC(O)CO aa9b364de5912123b7ce128c76f240ed [0,2,0,0,0,0|2,0,0]=4 10238 B11R0.111 CC(C)CCCNC[C@@H](C)CO a6f11fca487b7ed397572be1504ef188 [0,2,0,0,0,0|2,0,0]=4 10239 B11R0.111 CC(C)CCCNC[C@@H](F)CO 9f1a2f1030d85d33ca7a630e0a72768f [0,2,0,0,0,0|2,0,0]=4 10240 B11R0.111 CC(C)CCCNC[C@@H](O)CO 7d000cf16b023798ff839764915e637f [0,2,0,0,0,0|2,0,0]=4 10241 B11R0.111 CC(C)CCCNC[C@H](C)CO b349663f5591de695c51fcf4d0a0ae74 [0,2,0,0,0,0|2,0,0]=4 10242 B11R0.111 CC(C)CCCNC[C@H](F)CO 7ca9cd691f3fa83405b061b97bed9c82 [0,2,0,0,0,0|2,0,0]=4 10243 B11R0.111 CC(C)CCCNC[C@H](O)CO 2d867b6734c25eb81e69a75bcc4ac522 [0,2,0,0,0,0|2,0,0]=4 10244 B11R0.111 CC(C)CCCOCC(Br)CBr 54d166e8b55941bd252eb64bc39a5014 [0,2,0,0,0,0|1,0,0]=3 10245 B11R0.111 CC(C)CCCOCC(C)C#N 85d0d1ae6e1c11c7eca222fba9f553b9 [0,2,0,0,0,0|1,0,1]=4 10246 B11R0.111 CC(C)CCCOCC(Cl)CCl 2fab7659ec07732bc97f608a251e8eb0 [0,2,0,0,0,0|1,0,0]=3 10247 B11R0.111 CC(C)CCCOCC(O)CO 6adab49dfa371c1d834f8746df8b926a [0,2,0,0,0,0|1,0,0]=3 10248 B11R0.111 CC(C)CCCOCC(S)CS 80b4825fdc73efc22d1ba285290e0f08 [0,2,0,0,0,0|1,0,0]=3 10249 B11R0.111 CC(C)CCCOC[C@@H](O)CO 7a203086d359708f8ecb9ad0e5fabc26 [0,2,0,0,0,0|1,0,0]=3 10250 B11R0.111 CC(C)CCCOC[C@H](O)CO f7bbe939de7d8c6794b2a5b8b90937ce [0,2,0,0,0,0|1,0,0]=3 10251 B11R0.111 CC(C)CCNCCC(C)CO ab2a51b073a619fe345c3fbe26971371 [0,2,0,0,0,0|2,0,0]=4 10252 B11R0.111 CC(C)CCNCCC(O)CO 283ac8fb4f5e476778773e109d8a88b0 [0,2,0,0,0,0|2,0,0]=4 10253 B11R0.111 CC(C)CCNCC[C@@H](C)CO c23ca006a657000aaeda1c76246940c9 [0,2,0,0,0,0|2,0,0]=4 10254 B11R0.111 CC(C)OCCOCC(Br)CBr 6d6aaad67580a761c21413e6236a2a0d [0,2,0,0,0,0|2,0,0]=4 10255 B11R0.111 CC(C)OCCOCC(Cl)CCl d3466a100c31df823fb74fb43b1ab4bf [0,2,0,0,0,0|2,0,0]=4 10256 B11R0.111 CC(C)OCCOCC(O)CO 850fd4ef5d940a431641c1c2e933c5e7 [0,2,0,0,0,0|2,0,0]=4 10257 B11R0.111 CC(C)OCCOCC(S)CS 53ed219c1958a1962e60b22c99d07fc8 [0,2,0,0,0,0|2,0,0]=4 10258 B11R0.111 CC(C)OCCOC[C@@H](O)CO 58bc5696d3e833bceff9d16b23ae505e [0,2,0,0,0,0|2,0,0]=4 10259 B11R0.111 CC(C)OCCOC[C@H](O)CO 2ede0d5052e2018e0287884c960a093c [0,2,0,0,0,0|2,0,0]=4 10260 B11R0.111 CC(C)SCCOCC(Br)CBr 9b9355db4f1b59fd913007aa28a6ce49 [0,2,0,0,0,0|2,0,0]=4 10261 B11R0.111 CC(C)SCCOCC(Cl)CCl c56c51ba2c52cf2cfa8aac20a62e40d7 [0,2,0,0,0,0|2,0,0]=4 10262 B11R0.111 CC(C)SCCOCC(O)CO 3b6bf5f574ce7a2321a187324696b536 [0,2,0,0,0,0|2,0,0]=4 10263 B11R0.111 CC(C)SCCOCC(S)CS 21aa287b8d412dc821b7a023be3feee2 [0,2,0,0,0,0|2,0,0]=4 10264 B11R0.111 CC(C)SCCOC[C@@H](O)CO eee07c069e86ff9554383cc89e652929 [0,2,0,0,0,0|2,0,0]=4 10265 B11R0.111 CC(C)SCCOC[C@H](O)CO 9028434a97855a9e8ea6550376237f52 [0,2,0,0,0,0|2,0,0]=4 10266 B11R0.111 CC(CO)CCNCC[C@@H](C)O 10f55a067e242a510e5ded9ccd461b3e [0,2,0,0,0,0|2,0,0]=4 10267 B11R0.111 CC(CO)CCNCC[C@H](C)O c7cf954aac90ff1b4f42fd45f9a7b44e [0,2,0,0,0,0|2,0,0]=4 10268 B11R0.111 CC(O)CCCNCC(Br)CBr 1cbaded7b0aefdd3c1668a9b57ad202c [0,2,0,0,0,0|2,0,0]=4 10269 B11R0.111 CC(O)CCCNCC(C)CO ad03964c3f2a6d1a034d14985d3d9d82 [0,2,0,0,0,0|2,0,0]=4 10270 B11R0.111 CC(O)CCCNCC(F)CO 2baf6da931dff882ba8c9e2a853a78b1 [0,2,0,0,0,0|2,0,0]=4 10271 B11R0.111 CC(O)CCCNCC(O)CO fc997e6176d1d03b67cfe5f1b0ea635a [0,2,0,0,0,0|2,0,0]=4 10272 B11R0.111 CC(O)CCCNC[C@@H](F)CO 1dd844bca550a7160be8a9ea10106d6c [0,2,0,0,0,0|2,0,0]=4 10273 B11R0.111 CC(O)CCCNC[C@@H](O)CO 8d8f0086283ab34e8a6b3fa67d5d1573 [0,2,0,0,0,0|2,0,0]=4 10274 B11R0.111 CC(O)CCCNC[C@H](C)CO c3b7eec74ac99846618f70a23f66d0fc [0,2,0,0,0,0|2,0,0]=4 10275 B11R0.111 CC(O)CCCNC[C@H](F)CO 62c857962a4e69217c6c0afea6ea8ff5 [0,2,0,0,0,0|2,0,0]=4 10276 B11R0.111 CC(O)CCCNC[C@H](O)CO 0dd5f4c1dacacd693290bec607d776ab [0,2,0,0,0,0|2,0,0]=4 10277 B11R0.111 CC(O)CCNCCC(C)CO 01d411871876b4c85dabc455f0daf160 [0,2,0,0,0,0|2,0,0]=4 10278 B11R0.111 CC(O)CCNCCC(O)CO 697c166f0b8c45814f1034592c09c1ef [0,2,0,0,0,0|2,0,0]=4 10279 B11R0.111 CC(O)CCNCC[C@@H](C)CO 005425b9f25233701fefed6e6205e5fb [0,2,0,0,0,0|2,0,0]=4 10280 B11R0.111 CCC(=O)CNCCCC(C)C d83f3b736b480a97f776b16a14dc2edc [0,2,0,0,0,0|1,0,1]=4 10281 B11R0.111 CCC(=O)COCCCC(=O)C aa6d33852d4f18ca58cf8e2fd08cb078 [0,2,0,0,0,0|0,0,2]=4 10282 B11R0.111 CCC(=O)COCCCC(C)C eaf4145611740d85857f72943f0be1cd [0,2,0,0,0,0|0,0,1]=3 10283 B11R0.111 CCC(=O)COCCCN(C)C 2918ac3518f3947c414db21d5c333714 [0,2,0,0,0,0|1,0,1]=4 10284 B11R0.111 CCC(=O)COCCOC(C)C a35b67dc41a1c97fe3fd4ed2f28c478c [0,2,0,0,0,0|1,0,1]=4 10285 B11R0.111 CCC(=O)COCCSC(C)C 52847936ee549d8e306d27959eee2dad [0,2,0,0,0,0|1,0,1]=4 10286 B11R0.111 CCC(=O)OCOCCC(C)C 1b30abcdbd05a31e9531c15fcd74a28e [0,2,0,0,0,0|1,0,1]=4 10287 B11R0.111 CCC(C)CCCCOC(C)C cd73cace08beb22749fb56dc12082300 [0,2,0,0,0,0|2,0,0]=4 10288 B11R0.111 CCC(C)CCCOCC(C)C 7d5c7ad3322a9df400d87e2016d7d747 [0,2,0,0,0,0|2,0,0]=4 10289 B11R0.111 CCC(C)CCNCCC(=O)C 638920a467dc28b39de3c335975a78f2 [0,2,0,0,0,0|1,0,1]=4 10290 B11R0.111 CCC(C)CCNCCC(C)C 1af4a68b77c810f5ad73d410a0ce4504 [0,2,0,0,0,0|1,0,0]=3 10291 B11R0.111 CCC(C)CCNCCC(C)O 28fe7c835603a5542b8975efc21f86a2 [0,2,0,0,0,0|1,0,0]=3 10292 B11R0.111 CCC(C)CCNCCC(F)F 74d53857ebd4cf897a3ce9f3d226de38 [0,2,0,0,0,0|2,0,0]=4 10293 B11R0.111 CCC(C)CCNCCN(C)C a4c401f8b3ebb37b174b26a6fc9b45a7 [0,2,0,0,0,0|2,0,0]=4 10294 B11R0.111 CCC(C)CCNCCS(=O)C 07ca7f3b68e236ba9dfd56f9095b0972 [0,2,0,0,0,0|2,0,0]=4 10295 B11R0.111 CCC(C)CCNCC[C@@H](C)O 0ffaf6a609db917ef82527f9faf9ee72 [0,2,0,0,0,0|1,0,0]=3 10296 B11R0.111 CCC(C)CCNCC[C@H](C)O bbca6c784494d36de883d3783bf78337 [0,2,0,0,0,0|1,0,0]=3 10297 B11R0.111 CCC(C)CCNCOC(C)C 2e070ffbd18bc20f1cc4c9cc5bc46e53 [0,2,0,0,0,0|2,0,0]=4 10298 B11R0.111 CCC(C)CCOC/C=C(/C)\Cl 99d8d945e1b8cad65bf70420369c6686 [0,2,0,0,0,0|0,0,2]=4 10299 B11R0.111 CCC(C)CCOC/C=C(/C)\I ee1d4c81becf63721c1d29c26bc503b6 [0,2,0,0,0,0|0,0,2]=4 10300 B11R0.111 CCC(C)CCOC/C=C(\C)/Cl 142769d2656510eb0b9d42d6afec2555 [0,2,0,0,0,0|0,0,2]=4 10301 B11R0.111 CCC(C)CCOCC=C(C)C 0803e8bf7f305a2d1e3449928e817a0b [0,2,0,0,0,0|0,0,2]=4 10302 B11R0.111 CCC(C)CCOCC=C(C)Cl f392e6551b4b65296c701372162aba9e [0,2,0,0,0,0|0,0,2]=4 10303 B11R0.111 CCC(C)CCOCC=C(C)I 25e001ff3ab20cbd2649f6a12992e1c1 [0,2,0,0,0,0|0,0,2]=4 10304 B11R0.111 CCC(C)CCOCCC(=O)C da3a9cc1ef47c6a092452f99753e1cab [0,2,0,0,0,0|0,0,1]=3 10305 B11R0.111 CCC(C)CCOCCC(=O)N 00c6c3d41440eb43b6b21860459b3aaf [0,2,0,0,0,0|1,0,1]=4 10306 B11R0.111 CCC(C)CCOCCC(=O)O 4b77e9d8aa524d45b395588cd9a284ae [0,2,0,0,0,0|1,0,1]=4 10307 B11R0.111 CCC(C)CCOCCC(C)C c61fd7b9798138c81d47ca1788b33ad2 [0,2,0,0,0,0|0,0,0]=2 10308 B11R0.111 CCC(C)CCOCCC(F)F 030c94d40adb2e0ddb51fe4f0e8a0f14 [0,2,0,0,0,0|1,0,0]=3 10309 B11R0.111 CCC(C)CCOCCN(C)C c41954af4788641edbbd69d6f6118f35 [0,2,0,0,0,0|1,0,0]=3 10310 B11R0.111 CCC(C)CCOCCS(=O)C 99763d5bc90e8222b55c403fbe684517 [0,2,0,0,0,0|1,0,0]=3 10311 B11R0.111 CCC(C)CCOCC[N+](=O)[O-] 822e10ab6900881369dd638d3a60a3cb [0,2,0,0,0,0|2,0,0]=4 10312 B11R0.111 CCC(C)CCOCNC(=O)C 772c6133e81cc414fb75e4feefd53707 [0,2,0,0,0,0|1,0,1]=4 10313 B11R0.111 CCC(C)CCOCOC(=O)C df38fedcba4f5485012f6613175d7402 [0,2,0,0,0,0|1,0,1]=4 10314 B11R0.111 CCC(C)CCOCOC(C)C 42359fd940e904ae844c0077d8c004f6 [0,2,0,0,0,0|1,0,0]=3 10315 B11R0.111 CCC(C)CNCCCC(=O)C 853dfe34c15cd93ef4656bc82c256d5a [0,2,0,0,0,0|1,0,1]=4 10316 B11R0.111 CCC(C)CNCCCC(C)C 3ee58f527413b23d592872d0e61ffc87 [0,2,0,0,0,0|1,0,0]=3 10317 B11R0.111 CCC(C)CNCCCC(C)O d456cc88b7259e9ad2114e5b960584ea [0,2,0,0,0,0|1,0,0]=3 10318 B11R0.111 CCC(C)CNCCCN(C)C 50e5443b8c6973417e3812e676ea5343 [0,2,0,0,0,0|2,0,0]=4 10319 B11R0.111 CCC(C)CNCCCS(=O)C 30843bb1a820a62ad86e31a53ff1d9a2 [0,2,0,0,0,0|2,0,0]=4 10320 B11R0.111 CCC(C)CNCCOC(C)C 583243845ea1e5858592511361d8f72a [0,2,0,0,0,0|2,0,0]=4 10321 B11R0.111 CCC(C)CNCCSC(C)C 2620b0579c87213a906a02519a0bd84c [0,2,0,0,0,0|2,0,0]=4 10322 B11R0.111 CCC(C)COC/C=C/C(C)C 9befe246ab0ad4de42d8194e81ad1277 [0,2,0,0,0,0|0,0,2]=4 10323 B11R0.111 CCC(C)COCCC=C(C)C 0d3489edfc41275d4f82949a9785ae9e [0,2,0,0,0,0|0,0,2]=4 10324 B11R0.111 CCC(C)COCCCC(=O)C 95524877262bf2288746bedd3e83a05f [0,2,0,0,0,0|0,0,1]=3 10325 B11R0.111 CCC(C)COCCCC(=O)N 1ae29965bfe3ca235467d6d0fe9ca825 [0,2,0,0,0,0|1,0,1]=4 10326 B11R0.111 CCC(C)COCCCC(C)C ead2b6b5ad49e559f459bed8912d32a8 [0,2,0,0,0,0|0,0,0]=2 10327 B11R0.111 CCC(C)COCCCN(C)C d8b8b809fdb5f3d6242c194f50d383f5 [0,2,0,0,0,0|1,0,0]=3 10328 B11R0.111 CCC(C)COCCC[N+](=O)[O-] 429586796268f28c20ecd26b80029e16 [0,2,0,0,0,0|2,0,0]=4 10329 B11R0.111 CCC(C)COCCNC(=O)C 43f8a45c26b3e8ea54c57ca1d0212794 [0,2,0,0,0,0|1,0,1]=4 10330 B11R0.111 CCC(C)COCCOC(=O)C 4b5c7dcf1be01c6397dc5edf46f1ffd6 [0,2,0,0,0,0|1,0,1]=4 10331 B11R0.111 CCC(C)COCCOC(C)C c1b1002801ecc3e6b63f9d0ac37cba3e [0,2,0,0,0,0|1,0,0]=3 10332 B11R0.111 CCC(C)COCCOC(F)F 5c784aead60c57119618e6093bbd5c47 [0,2,0,0,0,0|2,0,0]=4 10333 B11R0.111 CCC(C)COCCSC(=O)C 084d039fa00029dc757c299550a79097 [0,2,0,0,0,0|1,0,1]=4 10334 B11R0.111 CCC(C)COCCSC(C)C bd6c0fb3c5c50e8f092308e7910c277a [0,2,0,0,0,0|1,0,0]=3 10335 B11R0.111 CCC(C)NCCCCC(C)C 8c4f55124120e8227e5b2ff6c8b21d8e [0,2,0,0,0,0|2,0,0]=4 10336 B11R0.111 CCC(C)NCCCCC(C)O 4504267d08c37823a7ae522e87aeffd5 [0,2,0,0,0,0|2,0,0]=4 10337 B11R0.111 CCC(C)NCCCC[C@@H](C)O 9dffe1a8e446579ef38f473cac8ae266 [0,2,0,0,0,0|2,0,0]=4 10338 B11R0.111 CCC(C)OCCCCC(C)C 52f8c3ca3124c279572ea02044d2a846 [0,2,0,0,0,0|2,0,0]=4 10339 B11R0.111 CCC(O)CNCCCC(=O)C eac8eda898d508c8f6b368c71231fbab [0,2,0,0,0,0|1,0,1]=4 10340 B11R0.111 CCC(O)CNCCCC(C)C a4d3d1fb1838cf33b75ab63b48615bc2 [0,2,0,0,0,0|1,0,0]=3 10341 B11R0.111 CCC(O)CNCCCC(C)O 429c49dca27f44febb276988f6f1ff8d [0,2,0,0,0,0|1,0,0]=3 10342 B11R0.111 CCC(O)CNCCCN(C)C 9c3679f18e8bde599e5f1efbd310c977 [0,2,0,0,0,0|2,0,0]=4 10343 B11R0.111 CCC(O)CNCCCS(=O)C b09da539a4684538c4fb7b8eab88ffd0 [0,2,0,0,0,0|2,0,0]=4 10344 B11R0.111 CCC(O)CNCCOC(C)C 04c55a0f17181d582f73d1ded4655be3 [0,2,0,0,0,0|2,0,0]=4 10345 B11R0.111 CCC(O)CNCCSC(C)C 7c8a5b8493479dd50455e33a85ecb8a5 [0,2,0,0,0,0|2,0,0]=4 10346 B11R0.111 CCC(S)CCOC/C=C(/C)\I 778d63814fc04d930d26bcd8f197ef93 [0,2,0,0,0,0|0,0,2]=4 10347 B11R0.111 CCC(S)CCOC/C=C(\C)/Cl d1ed3dcc2d79b1700f20b494920af784 [0,2,0,0,0,0|0,0,2]=4 10348 B11R0.111 CCC(S)CCOCC=C(C)C 76b448645ad1f853eeb5e9474ce2b14a [0,2,0,0,0,0|0,0,2]=4 10349 B11R0.111 CCC(S)CCOCC=C(C)Cl 751925185c17c638197ce4af2c72d8f6 [0,2,0,0,0,0|0,0,2]=4 10350 B11R0.111 CCC(S)CCOCC=C(C)I d17808f8fa24907de118dcfd48eb9175 [0,2,0,0,0,0|0,0,2]=4 10351 B11R0.111 CCC(S)CCOCCC(=O)C a50cd37116b3d3a4898e11cabe8e86d0 [0,2,0,0,0,0|0,0,1]=3 10352 B11R0.111 CCC(S)CCOCCC(=O)N 53687be8581a3c2ed6abd6f40ab6a91e [0,2,0,0,0,0|1,0,1]=4 10353 B11R0.111 CCC(S)CCOCCC(=O)O 17852c227724ccb40abd0882458ac146 [0,2,0,0,0,0|1,0,1]=4 10354 B11R0.111 CCC(S)CCOCCC(C)C e9d85eff7075d988c2d963ae17221321 [0,2,0,0,0,0|0,0,0]=2 10355 B11R0.111 CCC(S)CCOCCN(C)C f359247bf6aefa96ee478e9c9c1d0754 [0,2,0,0,0,0|1,0,0]=3 10356 B11R0.111 CCC(S)CCOCCS(=O)C b4c610e633a0af4b9320091ceddac9a1 [0,2,0,0,0,0|1,0,0]=3 10357 B11R0.111 CCC(S)CCOCOC(=O)C 9e24b3cd70f0279504d86365d637175e [0,2,0,0,0,0|1,0,1]=4 10358 B11R0.111 CCC(S)CCOCOC(C)C 2af07a83980042784e3228fd8c22df32 [0,2,0,0,0,0|1,0,0]=3 10359 B11R0.111 CCN(C)CCCCCC(C)C 44ddd3a7f7f6e99b7ad01f5b88398b0d [0,2,0,0,0,0|2,0,0]=4 10360 B11R0.111 CCS(=O)CCNCCC(C)C 532e8396a018c6e34a787a990bc5b77d [0,2,0,0,0,0|2,0,0]=4 10361 B11R0.111 CCS(=O)CCNCCC(C)O 9de3cb8efc83fb61d2854c3e5adf8a22 [0,2,0,0,0,0|2,0,0]=4 10362 B11R0.111 CCS(=O)CCNCC[C@@H](C)O 51c598ee09ae463b7975b14594b2528a [0,2,0,0,0,0|2,0,0]=4 10363 B11R0.111 CCS(=O)CCNCC[C@H](C)O dfd2089fdc4868e03a42622f40b50f63 [0,2,0,0,0,0|2,0,0]=4 10364 B11R0.111 CCS(=O)CCOCCC(C)C 46f6a9769c23cbf5190190088cb788e4 [0,2,0,0,0,0|1,0,0]=3 10365 B11R0.111 CCS(=O)CCOCCC(F)F 0b8f18a73a7e6506bf4ac26b5f5e1c49 [0,2,0,0,0,0|2,0,0]=4 10366 B11R0.111 CCS(=O)CCOCCN(C)C 7890a5301b46a0a9d26d4564685e56b3 [0,2,0,0,0,0|2,0,0]=4 10367 B11R0.111 CCS(=O)CCOCCS(=O)C 1267f68f8ef67e61b0669ae539e83d8d [0,2,0,0,0,0|2,0,0]=4 10368 B11R0.111 CC[C@@H](C)CNCCCC(C)C 7742e1e4fc1291248e13b62c993e4927 [0,2,0,0,0,0|1,0,0]=3 10369 B11R0.111 CC[C@@H](C)CNCCCN(C)C 58740a224c407b5a6fc4f17637f77582 [0,2,0,0,0,0|2,0,0]=4 10370 B11R0.111 CC[C@@H](C)CNCCCS(=O)C 063416628572cfa4499dd921f404c230 [0,2,0,0,0,0|2,0,0]=4 10371 B11R0.111 CC[C@@H](C)CNCCOC(C)C 10daaa0e561d0884b49b697bf4c50451 [0,2,0,0,0,0|2,0,0]=4 10372 B11R0.111 CC[C@@H](C)COC/C=C/C(C)C 6c4e2c631581d6516c76bcddadb0f943 [0,2,0,0,0,0|0,0,2]=4 10373 B11R0.111 CC[C@@H](C)COCCC=C(C)C ba9503c6cecdee34695060dc9b83fbf5 [0,2,0,0,0,0|0,0,2]=4 10374 B11R0.111 CC[C@@H](C)COCCCC(=O)C f31c8875342916c0b22c9342f8ed5ccb [0,2,0,0,0,0|0,0,1]=3 10375 B11R0.111 CC[C@@H](C)COCCCC(=O)N c9db34c2aaaa851e82057b91ab49630b [0,2,0,0,0,0|1,0,1]=4 10376 B11R0.111 CC[C@@H](C)COCCCC(C)C 8194cf6375506315021b9f242827118b [0,2,0,0,0,0|0,0,0]=2 10377 B11R0.111 CC[C@@H](C)COCCCN(C)C c46a73fe0bc5298d34770125c67219be [0,2,0,0,0,0|1,0,0]=3 10378 B11R0.111 CC[C@@H](C)COCCC[N+](=O)[O-] 52df6cfa1659cef02f5502d058597380 [0,2,0,0,0,0|2,0,0]=4 10379 B11R0.111 CC[C@@H](C)COCCNC(=O)C d8bb1d93e8bc95f4ad1b22906e2a38f9 [0,2,0,0,0,0|1,0,1]=4 10380 B11R0.111 CC[C@@H](C)COCCOC(=O)C 96886d8939b8a1b791b91dd2346237bf [0,2,0,0,0,0|1,0,1]=4 10381 B11R0.111 CC[C@@H](C)COCCOC(C)C 9737ec612f630a0ea069a3d068b275a4 [0,2,0,0,0,0|1,0,0]=3 10382 B11R0.111 CC[C@@H](C)COCCOC(F)F 36d13b55f2a98fea034f63b0107353f4 [0,2,0,0,0,0|2,0,0]=4 10383 B11R0.111 CC[C@@H](C)COCCSC(=O)C 63a6849fd86e7b481b0a365915a33641 [0,2,0,0,0,0|1,0,1]=4 10384 B11R0.111 CC[C@@H](C)COCCSC(C)C 9d8b41046a1e7d26ddaf1d781d5fc961 [0,2,0,0,0,0|1,0,0]=3 10385 B11R0.111 CC[C@@H](C)NCCCCC(C)C c2543d0388a130cd20d65a57dcb2ef51 [0,2,0,0,0,0|2,0,0]=4 10386 B11R0.111 CC[C@@H](C)NCCCCC(C)O 53644b3fd2cc6318ae659bc854603986 [0,2,0,0,0,0|2,0,0]=4 10387 B11R0.111 CC[C@@H](C)NCCCC[C@@H](C)O d57754c5f40699af431389b8b4f2c0c5 [0,2,0,0,0,0|2,0,0]=4 10388 B11R0.111 CC[C@@H](C)OCCCCC(C)C 5a656c249e49f619bfc1c777fb0dcf69 [0,2,0,0,0,0|2,0,0]=4 10389 B11R0.111 CC[C@@H](O)CNCCCC(=O)C 8ecd865ddd5c979275e954e008c480a1 [0,2,0,0,0,0|1,0,1]=4 10390 B11R0.111 CC[C@@H](O)CNCCCC(C)C 004198814d7b05d3f2fd3f0e4525107d [0,2,0,0,0,0|1,0,0]=3 10391 B11R0.111 CC[C@@H](O)CNCCCC(C)O e167fd8c4edcdbe0219a8a0720733332 [0,2,0,0,0,0|1,0,0]=3 10392 B11R0.111 CC[C@@H](O)CNCCCN(C)C efc3fa5927edc5a0541748679449950d [0,2,0,0,0,0|2,0,0]=4 10393 B11R0.111 CC[C@@H](O)CNCCOC(C)C 0b82f28c90cf00780139f085a80c20cc [0,2,0,0,0,0|2,0,0]=4 10394 B11R0.111 CC[C@@H](O)CNCCSC(C)C 3a11b7cd7cde6ae729ab70d602dac723 [0,2,0,0,0,0|2,0,0]=4 10395 B11R0.111 CC[C@H](C)CCCCOC(C)C 3937ce3c701b9aca634f685aff16d665 [0,2,0,0,0,0|2,0,0]=4 10396 B11R0.111 CC[C@H](C)CCCOCC(C)C f5b7b968293e2144484cc0bed0d1636b [0,2,0,0,0,0|2,0,0]=4 10397 B11R0.111 CC[C@H](C)CCOC/C=C(/C)\I b5ef4ab555995a099449558e87cba7b6 [0,2,0,0,0,0|0,0,2]=4 10398 B11R0.111 CC[C@H](C)CCOC/C=C(\C)/Cl 4ced0e2c24042992a10d7741b83d8eae [0,2,0,0,0,0|0,0,2]=4 10399 B11R0.111 CC[C@H](C)CCOCC=C(C)C 0104470d1dda1ae13de2184a8bb23753 [0,2,0,0,0,0|0,0,2]=4 10400 B11R0.111 CC[C@H](C)CCOCC=C(C)Cl 59073ad7e6935b79fd908086fb07a3c1 [0,2,0,0,0,0|0,0,2]=4 10401 B11R0.111 CC[C@H](C)CCOCC=C(C)I 4af24952f7efbe6f91cb2e4d020bd09c [0,2,0,0,0,0|0,0,2]=4 10402 B11R0.111 CC[C@H](C)CCOCCC(=O)C 4be2d65df695f9a7bbadc6bc6a9257ee [0,2,0,0,0,0|0,0,1]=3 10403 B11R0.111 CC[C@H](C)CCOCCC(=O)N 57d3b53410b7100a9ff86f97e7d8eb63 [0,2,0,0,0,0|1,0,1]=4 10404 B11R0.111 CC[C@H](C)CCOCCC(=O)O b62c105d7bb109321d0f567dcae2cb8b [0,2,0,0,0,0|1,0,1]=4 10405 B11R0.111 CC[C@H](C)CCOCCC(C)C 3d2890dfb5fc6b5240d11cb65efa55a2 [0,2,0,0,0,0|0,0,0]=2 10406 B11R0.111 CC[C@H](C)CCOCCN(C)C e968291a44e32db89c423e091e26f4e6 [0,2,0,0,0,0|1,0,0]=3 10407 B11R0.111 CC[C@H](C)CCOCCS(=O)C 08f379cce4388de175dfd178c60adbe5 [0,2,0,0,0,0|1,0,0]=3 10408 B11R0.111 CC[C@H](C)CCOCOC(=O)C 198354d85310c24c93f62847ece42d8a [0,2,0,0,0,0|1,0,1]=4 10409 B11R0.111 CC[C@H](C)CCOCOC(C)C 8dbf744665003f168417ae80031910a9 [0,2,0,0,0,0|1,0,0]=3 10410 B11R0.111 CC[C@H](C)CNCCCC(=O)C 23900becd103c16de6f557f5fce812fc [0,2,0,0,0,0|1,0,1]=4 10411 B11R0.111 CC[C@H](C)CNCCCC(C)C 74ae295ec501acc0766844f3c4d98b0d [0,2,0,0,0,0|1,0,0]=3 10412 B11R0.111 CC[C@H](C)CNCCCC(C)O 9f14a9c6b95940309c486882010a5bcd [0,2,0,0,0,0|1,0,0]=3 10413 B11R0.111 CC[C@H](C)CNCCCN(C)C 2e4d49e28e617feef04518bd2f3e06c7 [0,2,0,0,0,0|2,0,0]=4 10414 B11R0.111 CC[C@H](C)CNCCCS(=O)C 23ae8abe58c58bbc6bc140dab2d9cbb1 [0,2,0,0,0,0|2,0,0]=4 10415 B11R0.111 CC[C@H](C)CNCCOC(C)C 5005b99f7ca1e7d4e0fccca5d681dba1 [0,2,0,0,0,0|2,0,0]=4 10416 B11R0.111 CC[C@H](C)CNCCSC(C)C e0c640cee8f8401fca843f9f857a8d68 [0,2,0,0,0,0|2,0,0]=4 10417 B11R0.111 CC[C@H](C)COC/C=C/C(C)C a5fd3bf6b81e762eea73b70feddf0b03 [0,2,0,0,0,0|0,0,2]=4 10418 B11R0.111 CC[C@H](C)COCCC=C(C)C 6ca13570f6c50902bedbe7c49749d13f [0,2,0,0,0,0|0,0,2]=4 10419 B11R0.111 CC[C@H](C)COCCCC(=O)C 2dedac0b35748e7822e92fa08994d1ae [0,2,0,0,0,0|0,0,1]=3 10420 B11R0.111 CC[C@H](C)COCCCC(=O)N cf36cc6d07ac7d1af936ad4900c33ac5 [0,2,0,0,0,0|1,0,1]=4 10421 B11R0.111 CC[C@H](C)COCCCC(C)C 25ccdfc6d08a91a86af000740b58e024 [0,2,0,0,0,0|0,0,0]=2 10422 B11R0.111 CC[C@H](C)COCCCN(C)C 19fe0a9e7bf44c9465f835fd72e5a005 [0,2,0,0,0,0|1,0,0]=3 10423 B11R0.111 CC[C@H](C)COCCC[N+](=O)[O-] 6822a0d5dda7011a47a0c0308e178e01 [0,2,0,0,0,0|2,0,0]=4 10424 B11R0.111 CC[C@H](C)COCCNC(=O)C a2f06d568690ed92fc134fb5f2f4530f [0,2,0,0,0,0|1,0,1]=4 10425 B11R0.111 CC[C@H](C)COCCOC(=O)C baa9d4d57ae4ff0494070b844bf9f9f6 [0,2,0,0,0,0|1,0,1]=4 10426 B11R0.111 CC[C@H](C)COCCOC(C)C eb62b23c73fb0bdc46fd8a5faa2c5333 [0,2,0,0,0,0|1,0,0]=3 10427 B11R0.111 CC[C@H](C)COCCOC(F)F 16b5a7a7854ec8cce5d9857edb0c8cfd [0,2,0,0,0,0|2,0,0]=4 10428 B11R0.111 CC[C@H](C)COCCSC(=O)C 1fcb2360473dcda4c6efcda6327f8a0c [0,2,0,0,0,0|1,0,1]=4 10429 B11R0.111 CC[C@H](C)COCCSC(C)C a609b5f1a28c87a0722e67dff8e5310c [0,2,0,0,0,0|1,0,0]=3 10430 B11R0.111 CC[C@H](C)NCCCCC(C)C 60833cde6160eb0ca3aca0f6085646a0 [0,2,0,0,0,0|2,0,0]=4 10431 B11R0.111 CC[C@H](C)NCCCCC(C)O 5f5fcaac05780c67c10df853b13d194b [0,2,0,0,0,0|2,0,0]=4 10432 B11R0.111 CC[C@H](C)NCCCC[C@@H](C)O 23f573b65ffc96f7499bd11a86593951 [0,2,0,0,0,0|2,0,0]=4 10433 B11R0.111 CC[C@H](C)OCCCCC(C)C 6a2252cb80607d9f5161cd6510d28388 [0,2,0,0,0,0|2,0,0]=4 10434 B11R0.111 CN(C)CCCOCC(Br)CBr c9c8b4c87b46eed13dd15344edec0e34 [0,2,0,0,0,0|2,0,0]=4 10435 B11R0.111 CN(C)CCCOCC(Cl)CCl 436c7387f6dbc33c2c66f5776c0cc00f [0,2,0,0,0,0|2,0,0]=4 10436 B11R0.111 CN(C)CCCOCC(O)CO f9d6dca4cbdc3180d295383a81767958 [0,2,0,0,0,0|2,0,0]=4 10437 B11R0.111 CN(C)CCCOCC(S)CS 21b2385a7722f7c0711171356c20c1ef [0,2,0,0,0,0|2,0,0]=4 10438 B11R0.111 CN(C)CCCOC[C@@H](O)CO 50622266f6c5b008bd394aa4d9bef4e2 [0,2,0,0,0,0|2,0,0]=4 10439 B11R0.111 CN(C)CCCOC[C@H](O)CO c123969ce139a6a7a83d338883ef6469 [0,2,0,0,0,0|2,0,0]=4 10440 B11R0.111 CNC(=O)CCOCCC(C)C 3512e45e1aafa21d71f11238b2e6a54a [0,2,0,0,0,0|1,0,1]=4 10441 B11R0.111 CNC(=O)COCCCC(C)C 19cd6fd652b5bd9d1638e2aa68e403dd [0,2,0,0,0,0|1,0,1]=4 10442 B11R0.111 COC(=O)CCOCCC(C)C bf9c67a146327f82191c03b418e8ffa0 [0,2,0,0,0,0|1,0,1]=4 10443 B11R0.111 COC(=O)COCCCC(C)C b67746af44a07ea56d6cff22aea1b7b7 [0,2,0,0,0,0|1,0,1]=4 10444 B11R0.111 COC(C)CCOCCC(=O)C 5f8ba7a097195892bf617489ca6ec044 [0,2,0,0,0,0|1,0,1]=4 10445 B11R0.111 COC(C)CCOCCC(C)C 594bb899c29b8e72442549d8d9394edb [0,2,0,0,0,0|1,0,0]=3 10446 B11R0.111 COC(C)CCOCCN(C)C c439ceb6818eb940b2914015abe15fe2 [0,2,0,0,0,0|2,0,0]=4 10447 B11R0.111 COC(C)CCOCCS(=O)C 4474cd9ebcb409b51f8ac092c8e71e0d [0,2,0,0,0,0|2,0,0]=4 10448 B11R0.111 COC(C)CCOCOC(C)C ddaa7c9cff891de9cd2285193803257e [0,2,0,0,0,0|2,0,0]=4 10449 B11R0.111 COC(C)CNCCCC(C)C 1c9a764c6f2546c6943b8444e2717f5f [0,2,0,0,0,0|2,0,0]=4 10450 B11R0.111 COC(C)COCCCC(=O)C 2cc845232a0b2e2b1d1c3a9a1c05c398 [0,2,0,0,0,0|1,0,1]=4 10451 B11R0.111 COC(C)COCCCC(C)C ebe21c5962b94656c6f168822e2a0697 [0,2,0,0,0,0|1,0,0]=3 10452 B11R0.111 COC(C)COCCCN(C)C ecfc63f50350e5834e968c17a1823773 [0,2,0,0,0,0|2,0,0]=4 10453 B11R0.111 COC(C)COCCOC(C)C ad6dcd398183ee897329c582b51126e9 [0,2,0,0,0,0|2,0,0]=4 10454 B11R0.111 COC(C)COCCSC(C)C 1d9eef5b29a2ce420de85f822b1e4106 [0,2,0,0,0,0|2,0,0]=4 10455 B11R0.111 CO[C@@H](C)CNCCCC(C)C e805071a4b6accdd1217c81739e42d3e [0,2,0,0,0,0|2,0,0]=4 10456 B11R0.111 CO[C@@H](C)CNCCCC(C)O 2b182b2882209db70396ed65825394b0 [0,2,0,0,0,0|2,0,0]=4 10457 B11R0.111 CO[C@@H](C)COCCCC(=O)C 2a614ea303da6e6494132c629af00cb6 [0,2,0,0,0,0|1,0,1]=4 10458 B11R0.111 CO[C@@H](C)COCCCC(C)C 7796d3924e07bdd29261417dfeefc292 [0,2,0,0,0,0|1,0,0]=3 10459 B11R0.111 CO[C@@H](C)COCCCN(C)C 76a6fa271a811115f9eb945b6562d4b5 [0,2,0,0,0,0|2,0,0]=4 10460 B11R0.111 CO[C@@H](C)COCCOC(C)C 006cfaed0f0da1a5f9727c4be426742f [0,2,0,0,0,0|2,0,0]=4 10461 B11R0.111 CO[C@@H](C)COCCSC(C)C 3cc265c79beb038c58928820f7670ccc [0,2,0,0,0,0|2,0,0]=4 10462 B11R0.111 CO[C@H](C)CNCCCC(C)C dc74fe2287a19d2e4f8225310ec8f508 [0,2,0,0,0,0|2,0,0]=4 10463 B11R0.111 CO[C@H](C)CNCCCC(C)O 9cb5a2596abed972cdb08740427b8e81 [0,2,0,0,0,0|2,0,0]=4 10464 B11R0.111 CO[C@H](C)COCCCC(=O)C 93615146c150a21dba9f4fe8a570bc97 [0,2,0,0,0,0|1,0,1]=4 10465 B11R0.111 CO[C@H](C)COCCCC(C)C ef13b48d90e3bfec51a1670c0054b10d [0,2,0,0,0,0|1,0,0]=3 10466 B11R0.111 CO[C@H](C)COCCCN(C)C 3121c4a23e27ce0887f81981fd394078 [0,2,0,0,0,0|2,0,0]=4 10467 B11R0.111 CO[C@H](C)COCCOC(C)C cd88259d953038abf3856178e1e98b42 [0,2,0,0,0,0|2,0,0]=4 10468 B11R0.111 CO[C@H](C)COCCSC(C)C cf1b61472bba67aecf9dc7f652d16655 [0,2,0,0,0,0|2,0,0]=4 10469 B11R0.147 C=C(Br)CCOC(C)CCCC 57fbef68903a7a44638db1b29ab29722 [0,2,0,0,0,0|0,0,2]=4 10470 B11R0.147 C=C(C)CCCN(C)CCCC a3bbebdbfb7ec9975aae54e657595804 [0,2,0,0,0,0|1,0,1]=4 10471 B11R0.147 C=C(C)CCNC(C)CCCC 5132ba6f10db886702a5ae14cd8822e6 [0,2,0,0,0,0|1,0,1]=4 10472 B11R0.147 C=C(C)CCN[C@H](C)CCCC 97f4861932181f63d962ad1a8ca3a7de [0,2,0,0,0,0|1,0,1]=4 10473 B11R0.147 C=C(C)CCOC(C)CCCC eed93de6087a786daad053845bf45aa8 [0,2,0,0,0,0|0,0,1]=3 10474 B11R0.147 C=C(C)CCOC(C)CCOC cb09a0beea9b6ad119582da75b9229a4 [0,2,0,0,0,0|1,0,1]=4 10475 B11R0.147 C=C(C)CCOC(C)CCSC 1cde0941a872360eea23031ab79a074c [0,2,0,0,0,0|1,0,1]=4 10476 B11R0.147 C=C(C)CCOC(C)COCC 7cd7c4dc81a667ec6f17ccc3c0a11650 [0,2,0,0,0,0|1,0,1]=4 10477 B11R0.147 C=C(C)CCO[C@@H](C)CCCC 51b1ba7b81bd29b0a0d65e4292d030c1 [0,2,0,0,0,0|0,0,1]=3 10478 B11R0.147 C=C(C)CCO[C@H](C)CCCC 95bd20b65d7919c04c476c5aaee6a6e7 [0,2,0,0,0,0|0,0,1]=3 10479 B11R0.147 C=CCCC(C)OCCC(C)C 8258c2f519c21baf7eb0d6b7193bba77 [0,2,0,0,0,0|0,0,2]=4 10480 B11R0.147 C=CCC[C@@H](C)OCCC(C)C ceefcc80f1679fd37a2b5c118997f47f [0,2,0,0,0,0|0,0,2]=4 10481 B11R0.147 CC(C)CCCN(C)CCCO 47f5593fb833a7d6ea607a3cf2678cf2 [0,2,0,0,0,0|2,0,0]=4 10482 B11R0.147 CC(C)CCNC(C)CCCO e93077d8582af3922944e5f5d7bcfffb [0,2,0,0,0,0|2,0,0]=4 10483 B11R0.147 CC(C)CCN[C@H](C)CCCO 26595fef2a31d11d6cef1c3336887973 [0,2,0,0,0,0|2,0,0]=4 10484 B11R0.147 CC(C)CCOC(C)CCC#N b12cc75f954fda1b90f57b2280ef1cab [0,2,0,0,0,0|1,0,1]=4 10485 B11R0.147 CC(CCCO)NCC[C@@H](C)O abdaae1a8342d5f99b92349e8b52a660 [0,2,0,0,0,0|2,0,0]=4 10486 B11R0.147 CC(CCCO)NCC[C@H](C)O 45be1573b2f607e96be74bd014b002ce [0,2,0,0,0,0|2,0,0]=4 10487 B11R0.147 CC(O)CCCN(C)CCCO 91d718c9ce103009d0db9d2d290cace1 [0,2,0,0,0,0|2,0,0]=4 10488 B11R0.147 CC(O)CCNC(C)CCCO 97628d1fb64d02ce5704086510cbd843 [0,2,0,0,0,0|2,0,0]=4 10489 B11R0.147 CC(O)CCN[C@H](C)CCCO 6ad5d7496c6a429888eca66d268d1378 [0,2,0,0,0,0|2,0,0]=4 10490 B11R0.147 CCC#CC(C)OCCC(C)C 6bdfb962badd4913e5313a58e51d7e22 [0,2,0,0,0,0|0,0,2]=4 10491 B11R0.147 CCCCC(=O)NCCC(C)C 5a478b47b8f1203204005e80f7ff412d [0,2,0,0,0,0|1,0,1]=4 10492 B11R0.147 CCCCC(=O)NCCC(C)O 7aaca4f02466a48e7b0e77dd77bcf92e [0,2,0,0,0,0|1,0,1]=4 10493 B11R0.147 CCCCC(=O)NCC[C@@H](C)O 51765c4fe546002974c228bb17f8fe5f [0,2,0,0,0,0|1,0,1]=4 10494 B11R0.147 CCCCC(=O)NCC[C@H](C)O 7915b6c716e2dba7440a7863ffd54996 [0,2,0,0,0,0|1,0,1]=4 10495 B11R0.147 CCCCC(=O)OCOC(C)C 8695377532205c6785bd90c0a96a2b3c [0,2,0,0,0,0|1,0,1]=4 10496 B11R0.147 CCCCC(C)CCOC(C)C 480e75a996c87c16368aac9d429af336 [0,2,0,0,0,0|2,0,0]=4 10497 B11R0.147 CCCCC(C)COCC(C)C 20faf149a134c42b293abe464cb70dd6 [0,2,0,0,0,0|2,0,0]=4 10498 B11R0.147 CCCCC(C)NCCC(=O)C edcd28c8eaa8bf7db1d99a2ef0778d5c [0,2,0,0,0,0|1,0,1]=4 10499 B11R0.147 CCCCC(C)NCCC(C)C 553f480f7211b9851c219b9bd5554852 [0,2,0,0,0,0|1,0,0]=3 10500 B11R0.147 CCCCC(C)NCCC(C)O 5228767d4eae014027fcab6cbf47345b [0,2,0,0,0,0|1,0,0]=3 10501 B11R0.147 CCCCC(C)NCCC(F)F 1a364837cae843ee9c99e358f69d7259 [0,2,0,0,0,0|2,0,0]=4 10502 B11R0.147 CCCCC(C)NCCN(C)C 9085a65c8bea248aec21d8436400a09f [0,2,0,0,0,0|2,0,0]=4 10503 B11R0.147 CCCCC(C)NCCS(=O)C 0766821aaf5459d16d5f61928195e1f8 [0,2,0,0,0,0|2,0,0]=4 10504 B11R0.147 CCCCC(C)NCC[C@@H](C)O 92392685f0b98d3de410a27475b9862c [0,2,0,0,0,0|1,0,0]=3 10505 B11R0.147 CCCCC(C)NCC[C@H](C)O a65475a40409c36c47f9e4d0358a16f7 [0,2,0,0,0,0|1,0,0]=3 10506 B11R0.147 CCCCC(C)NCOC(C)C cb4020531e7cf17bcb2622e8f2984ba1 [0,2,0,0,0,0|2,0,0]=4 10507 B11R0.147 CCCCC(C)OC/C=C(/C)\Cl 2505f7619894540569a28b83ac211e69 [0,2,0,0,0,0|0,0,2]=4 10508 B11R0.147 CCCCC(C)OC/C=C(/C)\I 80d87e6b97ee3824550741bf3b9d5e64 [0,2,0,0,0,0|0,0,2]=4 10509 B11R0.147 CCCCC(C)OC/C=C(\C)/Cl 3a86b69510088a1bc72762d749976906 [0,2,0,0,0,0|0,0,2]=4 10510 B11R0.147 CCCCC(C)OCC=C(C)C d996855ae0926ef5801b9698b6a47c08 [0,2,0,0,0,0|0,0,2]=4 10511 B11R0.147 CCCCC(C)OCC=C(C)Cl aca902096482eeef203d49e883f68ac3 [0,2,0,0,0,0|0,0,2]=4 10512 B11R0.147 CCCCC(C)OCC=C(C)I ab42ea272893f8597375a439a3d9c2d4 [0,2,0,0,0,0|0,0,2]=4 10513 B11R0.147 CCCCC(C)OCCC(=O)C ebeebc9e296cbe6f0a98ad631ab6f24b [0,2,0,0,0,0|0,0,1]=3 10514 B11R0.147 CCCCC(C)OCCC(=O)N bb32f8eea69e27f7214519c9c704ee7e [0,2,0,0,0,0|1,0,1]=4 10515 B11R0.147 CCCCC(C)OCCC(C)C 232938eef9823a6670830c64bdfa9437 [0,2,0,0,0,0|0,0,0]=2 10516 B11R0.147 CCCCC(C)OCCC(F)F e9e362c709f3d8e5ee840c3949484111 [0,2,0,0,0,0|1,0,0]=3 10517 B11R0.147 CCCCC(C)OCCN(C)C 4776e4288af2de1769e4c515c7f4bafc [0,2,0,0,0,0|1,0,0]=3 10518 B11R0.147 CCCCC(C)OCCS(=O)C e3b48eab272e3cb316f44a8d4afae1d5 [0,2,0,0,0,0|1,0,0]=3 10519 B11R0.147 CCCCC(C)OCC[N+](=O)[O-] 3d30bed66ac88aa9e8ef2b525b66f942 [0,2,0,0,0,0|2,0,0]=4 10520 B11R0.147 CCCCC(C)OCNC(=O)C aa5f8abe48d6be083b29716c596a2478 [0,2,0,0,0,0|1,0,1]=4 10521 B11R0.147 CCCCC(C)OCOC(=O)C 8707e50adfbd9cf727be9afd38249d28 [0,2,0,0,0,0|1,0,1]=4 10522 B11R0.147 CCCCC(O)CNCC(C)C f8c552b341d3c6d0814ce11ede0c437c [0,2,0,0,0,0|2,0,0]=4 10523 B11R0.147 CCCCC(O)CNCC(C)O a3d66189769c24571be83277b3791ff4 [0,2,0,0,0,0|2,0,0]=4 10524 B11R0.147 CCCCC(O)CNC[C@@H](C)O e526b2974f0fc2e9d7a8548bbfe380ee [0,2,0,0,0,0|2,0,0]=4 10525 B11R0.147 CCCCC(O)CNC[C@H](C)O ffae387dc27e3628bdcda8b9e8d3f55e [0,2,0,0,0,0|2,0,0]=4 10526 B11R0.147 CCCCN(C)CCCC(=O)C abc7666fa9422368eaa5ed52008f4eec [0,2,0,0,0,0|1,0,1]=4 10527 B11R0.147 CCCCN(C)CCCC(C)C 63408163e7ea1897f163ad5c4903bcc8 [0,2,0,0,0,0|1,0,0]=3 10528 B11R0.147 CCCCN(C)CCCC(C)O 8828aaf31a48439873b0a5abdd1f9a16 [0,2,0,0,0,0|1,0,0]=3 10529 B11R0.147 CCCCN(C)CCCN(C)C 9587443aed0306428b5a3bfa0296a02d [0,2,0,0,0,0|2,0,0]=4 10530 B11R0.147 CCCCN(C)CCNC(C)C 254234fffab8c01651a6b33c3941caba [0,2,0,0,0,0|2,0,0]=4 10531 B11R0.147 CCCCN(C)CCOC(C)C 6a297c5d14fb7f75aacd38ed4c31d2f0 [0,2,0,0,0,0|2,0,0]=4 10532 B11R0.147 CCCCN(C)CCSC(C)C 6de7c3dffebc583cd164b3f69e275220 [0,2,0,0,0,0|2,0,0]=4 10533 B11R0.147 CCCC[C@@H](C)NCCC(=O)C 3e4c3a2c28f0952148627b465ed49444 [0,2,0,0,0,0|1,0,1]=4 10534 B11R0.147 CCCC[C@@H](C)NCCC(C)C 36d1207dc6a3c88d6f784cdddc1bb741 [0,2,0,0,0,0|1,0,0]=3 10535 B11R0.147 CCCC[C@@H](C)NCCC(C)O ae2f72547e0b03abd5bd9d3d09840961 [0,2,0,0,0,0|1,0,0]=3 10536 B11R0.147 CCCC[C@@H](C)NCCN(C)C c954b6587ebb8aee5dcb294b37a58841 [0,2,0,0,0,0|2,0,0]=4 10537 B11R0.147 CCCC[C@@H](C)NCCS(=O)C abbe8d6fbc43c32d4cf1a7740675fa03 [0,2,0,0,0,0|2,0,0]=4 10538 B11R0.147 CCCC[C@@H](C)NCOC(C)C 62c51384b29ca553a54efcb5ed63c965 [0,2,0,0,0,0|2,0,0]=4 10539 B11R0.147 CCCC[C@@H](C)OC/C=C(/C)\I 8bcb5c3a5a1a07473df3ce339c2f5e6f [0,2,0,0,0,0|0,0,2]=4 10540 B11R0.147 CCCC[C@@H](C)OC/C=C(\C)/Cl d16953e42a00aaf0b096f231aba25053 [0,2,0,0,0,0|0,0,2]=4 10541 B11R0.147 CCCC[C@@H](C)OCC=C(C)C f78c5cdca82f6a525091dea12e694815 [0,2,0,0,0,0|0,0,2]=4 10542 B11R0.147 CCCC[C@@H](C)OCC=C(C)Cl f48d44ff8577f88a7b6dccc584f95263 [0,2,0,0,0,0|0,0,2]=4 10543 B11R0.147 CCCC[C@@H](C)OCC=C(C)I 893a8bdee181c0b7b786ce6876b3fc17 [0,2,0,0,0,0|0,0,2]=4 10544 B11R0.147 CCCC[C@@H](C)OCCC(=O)C 8b14055ccd1479780072337616d0a089 [0,2,0,0,0,0|0,0,1]=3 10545 B11R0.147 CCCC[C@@H](C)OCCC(=O)N 5c6d7a40bb14456849afe49dc50b1f66 [0,2,0,0,0,0|1,0,1]=4 10546 B11R0.147 CCCC[C@@H](C)OCCC(C)C 4e58f774b5c466c6d629d5b3ea57a940 [0,2,0,0,0,0|0,0,0]=2 10547 B11R0.147 CCCC[C@@H](C)OCCN(C)C 3ef9c20e2dc8c9713329fd483a8e3267 [0,2,0,0,0,0|1,0,0]=3 10548 B11R0.147 CCCC[C@@H](C)OCCS(=O)C 1569f4a8517a0020bc2f28f70216145b [0,2,0,0,0,0|1,0,0]=3 10549 B11R0.147 CCCC[C@@H](C)OCOC(=O)C 45360ae62bb947f18e1ba611bc1d94f3 [0,2,0,0,0,0|1,0,1]=4 10550 B11R0.147 CCCC[C@H](C)OC/C=C(/C)\I 2f78b4cd6af82464687d4feff65810e6 [0,2,0,0,0,0|0,0,2]=4 10551 B11R0.147 CCCC[C@H](C)OC/C=C(\C)/Cl ed256bfedaabecd8068d0dc65db5375e [0,2,0,0,0,0|0,0,2]=4 10552 B11R0.147 CCCC[C@H](C)OCC=C(C)C 76e5944a788d114233ee5ea199732568 [0,2,0,0,0,0|0,0,2]=4 10553 B11R0.147 CCCC[C@H](C)OCC=C(C)Cl 7e2e0ae94c3a30227a41effbbf9dcb6a [0,2,0,0,0,0|0,0,2]=4 10554 B11R0.147 CCCC[C@H](C)OCC=C(C)I 7762fbf744738839259cc54d2e2e8e0e [0,2,0,0,0,0|0,0,2]=4 10555 B11R0.147 CCCC[C@H](C)OCCC(=O)C 1870b86809036ac20fc9a5cf943b11ce [0,2,0,0,0,0|0,0,1]=3 10556 B11R0.147 CCCC[C@H](C)OCCC(=O)N 962eee950358e00235cebb697af38cfc [0,2,0,0,0,0|1,0,1]=4 10557 B11R0.147 CCCC[C@H](C)OCCC(C)C c3a7296c30ca74d65380df99877139c4 [0,2,0,0,0,0|0,0,0]=2 10558 B11R0.147 CCCC[C@H](C)OCCN(C)C 9ccb35186af4102466d139d446850361 [0,2,0,0,0,0|1,0,0]=3 10559 B11R0.147 CCCC[C@H](C)OCCS(=O)C 3d5ad9fd159224bc8b03ebdf908a00c5 [0,2,0,0,0,0|1,0,0]=3 10560 B11R0.147 CCCC[C@H](C)OCOC(=O)C 5d53659ac5a06022d4172787f1e9b842 [0,2,0,0,0,0|1,0,1]=4 10561 B11R0.147 CCCNC(=O)CCCC(C)C d3c99083648aa796f29a4eb47f90bce2 [0,2,0,0,0,0|2,0,0]=4 10562 B11R0.147 CCCNC(C)CCCC(C)C c3b9f8f3aaf123242312bc99ee26f3b5 [0,2,0,0,0,0|2,0,0]=4 10563 B11R0.147 CCCOC(C)CCCC(C)C 27e0039638de50cc4c3f9d16889c3880 [0,2,0,0,0,0|2,0,0]=4 10564 B11R0.147 CCOCC(C)OCCC(=O)C d8ba14d388a60dc6c32b84b65522ba98 [0,2,0,0,0,0|1,0,1]=4 10565 B11R0.147 CCOCC(C)OCCC(C)C fd80a69de85b6af468295f3e4b8218d2 [0,2,0,0,0,0|1,0,0]=3 10566 B11R0.147 CCOCC(C)OCCN(C)C c0893532a3c568fe862760b1bc938f0f [0,2,0,0,0,0|2,0,0]=4 10567 B11R0.147 CCOCC(C)OCCS(=O)C a5e271538b3860205aae480fff045998 [0,2,0,0,0,0|2,0,0]=4 10568 B11R0.147 CCOCC(C)OCOC(C)C 085058bbeb1778c46ffdbda317ddaea2 [0,2,0,0,0,0|2,0,0]=4 10569 B11R0.147 COCCC(C)OCCC(=O)C 7765a67a47dc2ce162d9f23399c3d6a5 [0,2,0,0,0,0|1,0,1]=4 10570 B11R0.147 COCCC(C)OCCC(C)C a71590a311ad18d382cbaeeaa81be384 [0,2,0,0,0,0|1,0,0]=3 10571 B11R0.147 COCCC(C)OCCN(C)C 20578dbb48d90fdfd2149c4bcdb730c3 [0,2,0,0,0,0|2,0,0]=4 10572 B11R0.147 COCCC(C)OCCS(=O)C 3c24a910927f43bf6338a9005746a713 [0,2,0,0,0,0|2,0,0]=4 10573 B11R0.147 COCCC(C)OCOC(C)C ff2f7f67f9db81f2daa02e841837585c [0,2,0,0,0,0|2,0,0]=4 10574 B11R0.147 COCCN(C)CCCC(C)C 5e1be93831bf02ee1ddf11cbb871eee1 [0,2,0,0,0,0|2,0,0]=4 10575 B11R0.147 COCCN(C)CCCC(C)O b119ce416122f0c1057c7b743974e6da [0,2,0,0,0,0|2,0,0]=4 10576 B11R0.147 CSCCC(C)OCCC(=O)C cbaa8bf546d3b15568217916a3216bc4 [0,2,0,0,0,0|1,0,1]=4 10577 B11R0.147 CSCCC(C)OCCC(C)C dd07458f6e18af48d8a08eaf1f332375 [0,2,0,0,0,0|1,0,0]=3 10578 B11R0.147 CSCCC(C)OCCS(=O)C 0dd38e09f19004b60cb2a05bb4c77e20 [0,2,0,0,0,0|2,0,0]=4 10579 B11R0.147 CSCCN(C)CCCC(C)C 37a379ac5059b12a511be9f03aafb7cd [0,2,0,0,0,0|2,0,0]=4 10580 B11R0.147 CSCCN(C)CCCC(C)O 76e9f1347d672fa72528627d7e5aa2b2 [0,2,0,0,0,0|2,0,0]=4 10581 B11R0.148 C#CCCCCNCCC(C)C ffe9f88e3ab2bdb9d108fa7fa330c836 [0,2,0,0,0,0|1,0,1]=4 10582 B11R0.148 C#CCCCCNCCC(C)O 3894fa65a423ebedb72f3ea62e61651c [0,2,0,0,0,0|1,0,1]=4 10583 B11R0.148 C#CCCCCNCC[C@@H](C)O 2de4a19273c94843f17bc6c2225c8a77 [0,2,0,0,0,0|1,0,1]=4 10584 B11R0.148 C#CCCCCNCC[C@H](C)O e2afea60ff4a103152998da6657dd6df [0,2,0,0,0,0|1,0,1]=4 10585 B11R0.148 C#CCCCCOCCC(=C)C 2c6b9b225b95456c30868fffced6cd28 [0,2,0,0,0,0|0,0,2]=4 10586 B11R0.148 C#CCCCCOCCC(=O)C 7087135c2f0d3f448e3b8c7de7b3d9d6 [0,2,0,0,0,0|0,0,2]=4 10587 B11R0.148 C#CCCCCOCCC(C)C f3d5e55ff7341739a5e4b007fab64fb3 [0,2,0,0,0,0|0,0,1]=3 10588 B11R0.148 C#CCCCCOCCC(F)F 2ace82019b64188cc4fa3be65f66be0e [0,2,0,0,0,0|1,0,1]=4 10589 B11R0.148 C#CCCCCOCCN(C)C 763d06ceb5436b06e123534678b5583b [0,2,0,0,0,0|1,0,1]=4 10590 B11R0.148 C#CCCCCOCCS(=O)C 8c3522a840280a47eb5571b97d2a6b18 [0,2,0,0,0,0|1,0,1]=4 10591 B11R0.148 C#CCCCCOCOC(C)C 6316499fa4488c2370d44e4ccbdf4743 [0,2,0,0,0,0|1,0,1]=4 10592 B11R0.148 C#CCCCNCCCC(C)C d8fe70c77b3cfd9eb15368ad1fba7f31 [0,2,0,0,0,0|1,0,1]=4 10593 B11R0.148 C#CCCCNCCCC(C)O bffb32940fc689f4836783dc8faec4fa [0,2,0,0,0,0|1,0,1]=4 10594 B11R0.148 C#CCCCOCCCC(=C)C 94c69f9029b5799065d1d4495d4d8808 [0,2,0,0,0,0|0,0,2]=4 10595 B11R0.148 C#CCCCOCCCC(=O)C ca7578f8e1b8ac604c52aafd76ae9120 [0,2,0,0,0,0|0,0,2]=4 10596 B11R0.148 C#CCCCOCCCC(C)C cc29f1ba4cd9396b6c824b4c7561f29f [0,2,0,0,0,0|0,0,1]=3 10597 B11R0.148 C#CCCCOCCCN(C)C 38d0202a3c5a7c8bf64954e09557478b [0,2,0,0,0,0|0,0,2]=4 10598 B11R0.148 C#CCCCOCCOC(C)C e5899b2cb02e8dbb5bef8c55bfb3d3e9 [0,2,0,0,0,0|0,0,2]=4 10599 B11R0.148 C#CCCCOCCSC(C)C e8433bee187668106f2c676a304428cc [0,2,0,0,0,0|0,0,2]=4 10600 B11R0.148 C#CCCOCCCCC(=O)C bbf7a254b5b28a9abe7734544f357e87 [0,2,0,0,0,0|0,0,2]=4 10601 B11R0.148 C#CCCOCCCCC(C)C f68f147b068a29234e7ad059e8ef7eea [0,2,0,0,0,0|0,0,2]=4 10602 B11R0.148 C#CCCOCCCCN(C)C da7a248faf9af7a82d74a464d28a800a [0,2,0,0,0,0|0,0,2]=4 10603 B11R0.148 C#CCCOCCCOC(C)C ebfcf06f50e7689226095015f7d0936c [0,2,0,0,0,0|0,0,2]=4 10604 B11R0.148 C#CCCOCCCSC(C)C ac1648746b3bccedd943beb130adc9b7 [0,2,0,0,0,0|0,0,2]=4 10605 B11R0.148 C#CCCOCCOCC(C)C 0dde3abcfe444868e2e72a2e2c6da184 [0,2,0,0,0,0|0,0,2]=4 10606 B11R0.148 C#CCCOCCSCC(C)C d86c2f58ceb23592e13c2686bdb67166 [0,2,0,0,0,0|0,0,2]=4 10607 B11R0.148 C#CCOCCOCCC(C)C 705e14d3483aadcbf65906a12ea87c56 [0,2,0,0,0,0|0,0,2]=4 10608 B11R0.148 C/C(=C/COCCCCCF)/Cl 59580186f25a5c58099d1296ffffa184 [0,2,0,0,0,0|0,0,2]=4 10609 B11R0.148 C/C(=C/COCCCCCF)/I 213bf2b903f0ded44ab4e57b4cda8bfa [0,2,0,0,0,0|0,0,2]=4 10610 B11R0.148 C/C=C/CCCOCCC(=O)C 6af31ccb6c5cfbdc31a7ba1d70c26273 [0,2,0,0,0,0|0,0,2]=4 10611 B11R0.148 C/C=C/CCCOCCC(C)C 962d87afe070bc9ccb52c528c2e16511 [0,2,0,0,0,0|0,0,1]=3 10612 B11R0.148 C/C=C/CCCOCCN(C)C fe67cf5df7b5302dbd82520ad9f2b4f5 [0,2,0,0,0,0|1,0,1]=4 10613 B11R0.148 C/C=C/CCCOCCS(=O)C 8df00ed6fb9e38f0fe1e28d506b99fe6 [0,2,0,0,0,0|1,0,1]=4 10614 B11R0.148 C/C=C/CCCOCOC(C)C 30e22d01657bbfc84a3c6e858910e985 [0,2,0,0,0,0|1,0,1]=4 10615 B11R0.148 C/C=C/CCOCCCC(=O)C 0bfc1e16cd242a6ffba7baaeed75a478 [0,2,0,0,0,0|0,0,2]=4 10616 B11R0.148 C/C=C/CCOCCCC(C)C dd51f39174850bb5ffe76b27ab9463be [0,2,0,0,0,0|0,0,1]=3 10617 B11R0.148 C/C=C/CCOCCCN(C)C cee9958b92e62b633244b0e294e3542a [0,2,0,0,0,0|0,0,2]=4 10618 B11R0.148 C/C=C/CCOCCOC(C)C 70504aed0f732ac425ae79483e2d93b1 [0,2,0,0,0,0|0,0,2]=4 10619 B11R0.148 C/C=C/CCOCCSC(C)C e18f933a02fe0dabc926d19f57c85a16 [0,2,0,0,0,0|0,0,2]=4 10620 B11R0.148 C/C=C/COCCCCC(=O)C bc4770b7051a58da4eb45c98e2b78f18 [0,2,0,0,0,0|0,0,2]=4 10621 B11R0.148 C/C=C/COCCCCC(C)C 7585b8ea5dc13e8dab24c7fb7780bb3c [0,2,0,0,0,0|0,0,2]=4 10622 B11R0.148 C/C=C/COCCCCN(C)C 877ed2b8db3719aeb67c3654ca78765b [0,2,0,0,0,0|0,0,2]=4 10623 B11R0.148 C/C=C/COCCCOC(C)C 8cfeaeec5d15b1db26630da1489522c6 [0,2,0,0,0,0|0,0,2]=4 10624 B11R0.148 C/C=C/COCCCSC(C)C f19a0157cec4329a3534ea59495197f5 [0,2,0,0,0,0|0,0,2]=4 10625 B11R0.148 C/C=C/COCCOCC(C)C 32a69f20ad52a150d3345ab9108b39f8 [0,2,0,0,0,0|0,0,2]=4 10626 B11R0.148 C/C=C/COCCSCC(C)C 2a63986627ae6de89f65af2e24251cd1 [0,2,0,0,0,0|0,0,2]=4 10627 B11R0.148 C/C=C\CCCNCCC(C)C 5f9cbf731c3eafa8c17ee0eb7370ecba [0,2,0,0,0,0|1,0,1]=4 10628 B11R0.148 C/C=C\CCCNCCC(C)O ba7125d3efd9f755d874b46216146458 [0,2,0,0,0,0|1,0,1]=4 10629 B11R0.148 C/C=C\CCCNCC[C@@H](C)O 76c2c5107916fc9f56c907b1b653f4be [0,2,0,0,0,0|1,0,1]=4 10630 B11R0.148 C/C=C\CCCNCC[C@H](C)O 33c35d3155604a4673c86124d4778f69 [0,2,0,0,0,0|1,0,1]=4 10631 B11R0.148 C/C=C\CCCOCCC(=O)C b4e669a2e0688ef6b804e802906b565b [0,2,0,0,0,0|0,0,2]=4 10632 B11R0.148 C/C=C\CCCOCCC(C)C b0e96552cf338a5eb0c0a9728f57fd06 [0,2,0,0,0,0|0,0,1]=3 10633 B11R0.148 C/C=C\CCCOCCC(F)F b6fed29f6f7bb023b7e6d7041b04419b [0,2,0,0,0,0|1,0,1]=4 10634 B11R0.148 C/C=C\CCCOCCN(C)C 54d9815d4b1c79041d5ab89b36e708b5 [0,2,0,0,0,0|1,0,1]=4 10635 B11R0.148 C/C=C\CCCOCCS(=O)C cbdf7045e8112ac602394eea1583d5b0 [0,2,0,0,0,0|1,0,1]=4 10636 B11R0.148 C/C=C\CCCOCOC(C)C 71908314b9e72e376ff8ec13cf3845ff [0,2,0,0,0,0|1,0,1]=4 10637 B11R0.148 C/C=C\COCCCCC(=O)C a0730490237f018f540fe7a7151b7b1f [0,2,0,0,0,0|0,0,2]=4 10638 B11R0.148 C/C=C\COCCCCC(C)C c784be99fedb586f5e5c6ed928be4ee5 [0,2,0,0,0,0|0,0,2]=4 10639 B11R0.148 C/C=C\COCCCCN(C)C ec95a87d8d439e5fed85480885e8b737 [0,2,0,0,0,0|0,0,2]=4 10640 B11R0.148 C/C=C\COCCCOC(C)C 76800936448d84a124c28df08c4a6a72 [0,2,0,0,0,0|0,0,2]=4 10641 B11R0.148 C/C=C\COCCCSC(C)C 3ae58ea1afe8987edaa2387b71b307db [0,2,0,0,0,0|0,0,2]=4 10642 B11R0.148 C/C=C\COCCOCC(C)C b24b96cbd8f56ce6c910da07f00bb0d9 [0,2,0,0,0,0|0,0,2]=4 10643 B11R0.148 C/C=C\COCCSCC(C)C 3650a1897a1ec934e889e001e3e919dc [0,2,0,0,0,0|0,0,2]=4 10644 B11R0.148 C=C(Br)CCOCCCCCC a6f96aa10bef0cb6b12500bf2b506dde [0,2,0,0,0,0|0,0,2]=4 10645 B11R0.148 C=C(Br)CCOCCCCCF 8c34727fcf98bec637ac42dfa05c771f [0,2,0,0,0,0|0,0,2]=4 10646 B11R0.148 C=C(Br)CCOCCCCOC 7cfcfbd71ed92fb26d278d12d3aa0e2f [0,2,0,0,0,0|0,0,2]=4 10647 B11R0.148 C=C(Br)CCOCCCOCC e6e2f9189b1e05561772a9e707b7e6ab [0,2,0,0,0,0|0,0,2]=4 10648 B11R0.148 C=C(Br)CCOCCCSCC be4f2583029b2256250e88917a6320e2 [0,2,0,0,0,0|0,0,2]=4 10649 B11R0.148 C=C(Br)CCOCCOCCC c31025dc181ed42039513b1dc82f08e8 [0,2,0,0,0,0|0,0,2]=4 10650 B11R0.148 C=C(Br)CCOCOCCCC b2674ef293595290f4edc1550cbcc458 [0,2,0,0,0,0|0,0,2]=4 10651 B11R0.148 C=C(Br)CNCCOCCCC 90cd6db218dc45d5b525e1ad42612f87 [0,2,0,0,0,0|0,0,2]=4 10652 B11R0.148 C=C(Br)COCCOCCCC 54d317d51071e7efb0061c7463cd1518 [0,2,0,0,0,0|0,0,2]=4 10653 B11R0.148 C=C(C)CCCNCCCCC 2a61d6a86b53b2d6ed8ca64bfa3ebb10 [0,2,0,0,0,0|1,0,0]=3 10654 B11R0.148 C=C(C)CCCNCCCCCl c8731ba1f70d8bc13a2e4a40391f9ac0 [0,2,0,0,0,0|1,0,1]=4 10655 B11R0.148 C=C(C)CCCNCCCCO 7572f60f6a5b76abf8c2da2af891eb7b [0,2,0,0,0,0|1,0,1]=4 10656 B11R0.148 C=C(C)CCCNCCCCS 0775800d0bad2dccb14d485132f98d28 [0,2,0,0,0,0|1,0,1]=4 10657 B11R0.148 C=C(C)CCCNCCCOC c9150017886d1482c8b895f9303b099d [0,2,0,0,0,0|1,0,1]=4 10658 B11R0.148 C=C(C)CCCNCCCSC a786008002f512f0dfee23897df0246b [0,2,0,0,0,0|1,0,1]=4 10659 B11R0.148 C=C(C)CCCNCCOCC 7d4408525a548f819a4a439218b86c6b [0,2,0,0,0,0|1,0,1]=4 10660 B11R0.148 C=C(C)CCCNCCSCC 5cd28aff6971764f2b140194b2a3898b [0,2,0,0,0,0|1,0,1]=4 10661 B11R0.148 C=C(C)CCCOC/C=C/CC ea488f25957c847a33338bd621e143e5 [0,2,0,0,0,0|0,0,2]=4 10662 B11R0.148 C=C(C)CCCOC/C=C\CC 7ad8ec3f8371ac804ece51fbe983b89a [0,2,0,0,0,0|0,0,2]=4 10663 B11R0.148 C=C(C)CCCOCC#CCC ce6e8e46ed42a6b12df4234401523259 [0,2,0,0,0,0|0,0,2]=4 10664 B11R0.148 C=C(C)CCCOCC/C=C/C d0cc7488e4c5230e2347b72e9bf6f22a [0,2,0,0,0,0|0,0,2]=4 10665 B11R0.148 C=C(C)CCCOCCC#CC 564628a1d5e52ea4f98dcd1d44df9b39 [0,2,0,0,0,0|0,0,2]=4 10666 B11R0.148 C=C(C)CCCOCCCC#N d0ec3ba965b5155de0be5169a51f5d94 [0,2,0,0,0,0|0,0,2]=4 10667 B11R0.148 C=C(C)CCCOCCCC=O 141101ee11a047bdb6ac972f4b15d526 [0,2,0,0,0,0|0,0,2]=4 10668 B11R0.148 C=C(C)CCCOCCCCC 7ddee3a31fabfc9464b6764c3b9e7cff [0,2,0,0,0,0|0,0,0]=2 10669 B11R0.148 C=C(C)CCCOCCCCF 26b3343d7eb194f86527dbdbaadea1a1 [0,2,0,0,0,0|0,0,1]=3 10670 B11R0.148 C=C(C)CCCOCCCCS 72887831882c777b2d08bdeaee97b3d5 [0,2,0,0,0,0|0,0,1]=3 10671 B11R0.148 C=C(C)CCCOCCCOC cfb76832c98f1b24c2b6910849e874a9 [0,2,0,0,0,0|0,0,1]=3 10672 B11R0.148 C=C(C)CCCOCCCSC f709d11388c937542d3f01d13f28b4bc [0,2,0,0,0,0|0,0,1]=3 10673 B11R0.148 C=C(C)CCCOCCOCC 1f01a8c58a9f41f11eafa6ecde513af8 [0,2,0,0,0,0|0,0,1]=3 10674 B11R0.148 C=C(C)CCCOCCSCC 1d6fc1edadc5e44f2933e7ab7320822b [0,2,0,0,0,0|0,0,1]=3 10675 B11R0.148 C=C(C)CCNCCCCCC 7e6410037cc055178b065ec8aa195598 [0,2,0,0,0,0|1,0,1]=4 10676 B11R0.148 C=C(C)CCNCCCCCCl 48a2f78ae0d81b19e97870726aadd7d2 [0,2,0,0,0,0|1,0,1]=4 10677 B11R0.148 C=C(C)CCNCCCCCF e4049c627170f66e2443e7ae56fc1a31 [0,2,0,0,0,0|1,0,1]=4 10678 B11R0.148 C=C(C)CCNCCCCCO c6f3f71deefab5553eb8df4230d39cdd [0,2,0,0,0,0|1,0,1]=4 10679 B11R0.148 C=C(C)CCNCCCCOC 2374a065e58ae3e114dd815950b6af1b [0,2,0,0,0,0|1,0,1]=4 10680 B11R0.148 C=C(C)CCNCCCCSC 1f14cb8a68c9d13e21b0b4ea6067130e [0,2,0,0,0,0|1,0,1]=4 10681 B11R0.148 C=C(C)CCNCCCOCC ff704d26de364b46d8c436a83f70fd2e [0,2,0,0,0,0|1,0,1]=4 10682 B11R0.148 C=C(C)CCNCCCSCC 8c0505be17453f9c4ddd86b5bdf953e1 [0,2,0,0,0,0|1,0,1]=4 10683 B11R0.148 C=C(C)CCNCCOCCC 38f2e6beb7d9f3f335cd6ec192d47d4f [0,2,0,0,0,0|1,0,1]=4 10684 B11R0.148 C=C(C)CCNCOCCCC 5a2b25e6d30d6eafc145eea57137942d [0,2,0,0,0,0|0,0,1]=3 10685 B11R0.148 C=C(C)CCNCOCCOC fc4873f81fd1bdeddbfb7c140cab28d9 [0,2,0,0,0,0|1,0,1]=4 10686 B11R0.148 C=C(C)CCOC/C=C/CCC 638fc186f521cfcf1ea1c345f213d1c8 [0,2,0,0,0,0|0,0,2]=4 10687 B11R0.148 C=C(C)CCOC/C=C\CCC 742c238e3cc8f177915361e679fed89f [0,2,0,0,0,0|0,0,2]=4 10688 B11R0.148 C=C(C)CCOCC#CCCC 3f2e0c83231dc853f0e81652a09125ba [0,2,0,0,0,0|0,0,2]=4 10689 B11R0.148 C=C(C)CCOCC/C=C/CC ea5e23e2de50deab35d9cd15f31be91d [0,2,0,0,0,0|0,0,2]=4 10690 B11R0.148 C=C(C)CCOCC/C=C\CC 5e94700de9e1a0ab3559c16378631e52 [0,2,0,0,0,0|0,0,2]=4 10691 B11R0.148 C=C(C)CCOCCC#CCC c889f1cf935446819902fa2bffc510bb [0,2,0,0,0,0|0,0,2]=4 10692 B11R0.148 C=C(C)CCOCCC/C=C/C 2c4b3e75ec91de15b0caaa21ce8b2698 [0,2,0,0,0,0|0,0,2]=4 10693 B11R0.148 C=C(C)CCOCCC/C=C\C 392ec1d8bd40679a1f2af3aee455b871 [0,2,0,0,0,0|0,0,2]=4 10694 B11R0.148 C=C(C)CCOCCCC#CC 7a76dfd1752c455c81cb9d72e24ff83f [0,2,0,0,0,0|0,0,2]=4 10695 B11R0.148 C=C(C)CCOCCCC=CC c8631a93ce0f5856706afb15397552a3 [0,2,0,0,0,0|0,0,2]=4 10696 B11R0.148 C=C(C)CCOCCCCC#N 70707e5d2a00d465906e5510892cecda [0,2,0,0,0,0|0,0,2]=4 10697 B11R0.148 C=C(C)CCOCCCCC=O e5127e06ac5f9fcc6d9f286c61a485e7 [0,2,0,0,0,0|0,0,2]=4 10698 B11R0.148 C=C(C)CCOCCCCCC f3b42b02f97b5ae546a5d0ce100d5f9b [0,2,0,0,0,0|0,0,1]=3 10699 B11R0.148 C=C(C)CCOCCCCCF 1cd7d278cca05628b6323907ef8139b0 [0,2,0,0,0,0|0,0,1]=3 10700 B11R0.148 C=C(C)CCOCCCCOC 6c68902b59439ef02db1827c81ac86e5 [0,2,0,0,0,0|0,0,1]=3 10701 B11R0.148 C=C(C)CCOCCCCSC f4cc9617da459842d98d117720309ec6 [0,2,0,0,0,0|0,0,1]=3 10702 B11R0.148 C=C(C)CCOCCCOCC 61def538ce613515ea5ce21b11143c01 [0,2,0,0,0,0|0,0,1]=3 10703 B11R0.148 C=C(C)CCOCCCSCC 7397b0b72e3a11c422be6f76310489fe [0,2,0,0,0,0|0,0,1]=3 10704 B11R0.148 C=C(C)CCOCCOCCC cb715321bec56439eb639e3e8e48a990 [0,2,0,0,0,0|0,0,1]=3 10705 B11R0.148 C=C(C)CCOCCOCCF 601fc22ad8b9cd03290ef4cc933196b8 [0,2,0,0,0,0|1,0,1]=4 10706 B11R0.148 C=C(C)CCOCCOCCS 994d67cf93f83aa31d6739883a3fda21 [0,2,0,0,0,0|1,0,1]=4 10707 B11R0.148 C=C(C)CCOCCOCOC 321796ecb855f12b02929d4752ec8408 [0,2,0,0,0,0|1,0,1]=4 10708 B11R0.148 C=C(C)CCOCCSCCC 6071b176c37be307e50540c8a1de3d5a [0,2,0,0,0,0|0,0,1]=3 10709 B11R0.148 C=C(C)CCOCOCCCC 42fd3e6ac5c48ab1e865d86cdea89fe7 [0,2,0,0,0,0|0,0,1]=3 10710 B11R0.148 C=C(C)CCOCOCCOC 6e45caa0b43df05d663e6353fc6dea1e [0,2,0,0,0,0|1,0,1]=4 10711 B11R0.148 C=C(C)CNCCCCCCC b09be588b32545d66c354051c751378d [0,2,0,0,0,0|1,0,1]=4 10712 B11R0.148 C=C(C)CNCCOCCCC ae6ee3ea65b0e44b189ffe8a53dab9de [0,2,0,0,0,0|0,0,1]=3 10713 B11R0.148 C=C(C)CNCCOCCCO 211ea9940bcd6d78dede19991b3df7e5 [0,2,0,0,0,0|1,0,1]=4 10714 B11R0.148 C=C(C)CNCCOCCOC 6ea108f558c314044b6ced1b958f8970 [0,2,0,0,0,0|1,0,1]=4 10715 B11R0.148 C=C(C)COCCCCCCC 6e86eb79eebc0414260368e904a927e1 [0,2,0,0,0,0|1,0,1]=4 10716 B11R0.148 C=C(C)COCCOCCCC 01d4de70de3af1ba59b4d422fb0d6d4e [0,2,0,0,0,0|0,0,1]=3 10717 B11R0.148 C=C(C)COCCOCCCF aa591a2e42fb5c684220121aaacf21da [0,2,0,0,0,0|1,0,1]=4 10718 B11R0.148 C=C(C)COCCOCCCS 2f6bf86d9fd419bdab6b17382cc8e9d4 [0,2,0,0,0,0|1,0,1]=4 10719 B11R0.148 C=C(C)COCCOCCOC 10445eb64b3f75446e7934676112d0aa [0,2,0,0,0,0|1,0,1]=4 10720 B11R0.148 C=C(C)COCCOCCSC 637cfcb6a90382319df2164c31b6c55f [0,2,0,0,0,0|1,0,1]=4 10721 B11R0.148 C=C(C)COCCOCOCC 77377c31a0b91bdae1d24b5c8ec2bd3c [0,2,0,0,0,0|1,0,1]=4 10722 B11R0.148 C=C(C)COCCSCCCC f1e3c253a1b49c4853ab945b5a2eb533 [0,2,0,0,0,0|0,1,1]=4 10723 B11R0.148 C=C(Cl)CNCCOCCCC 55dcad9320cc2e6e5d3def8253a0a808 [0,2,0,0,0,0|0,0,2]=4 10724 B11R0.148 C=C(Cl)COCCOCCCC d3802129f2aa4a7c4a07ecc549c689df [0,2,0,0,0,0|0,0,2]=4 10725 B11R0.148 C=C(F)COCCOCCCC a79aca5aa785e6d08dc93eb83407644e [0,2,0,0,0,0|0,0,2]=4 10726 B11R0.148 C=C(I)COCCOCCCC d1f24edc5d923b085c18152641a8ce57 [0,2,0,0,0,0|0,0,2]=4 10727 B11R0.148 C=C=CCCOCCCC(C)C 0e9bd9b709b89e24294f2d0bfa39e856 [0,2,0,0,0,0|0,0,2]=4 10728 B11R0.148 C=CCCCCNCCC(C)C 158375db785f61c3339d93e89a88e56d [0,2,0,0,0,0|1,0,1]=4 10729 B11R0.148 C=CCCCCNCCC(C)O 9775f9f85f7ad6616600bc9d903aa57a [0,2,0,0,0,0|1,0,1]=4 10730 B11R0.148 C=CCCCCNCC[C@@H](C)O 281ed651455aa4299ec6f6a5b9dbbc02 [0,2,0,0,0,0|1,0,1]=4 10731 B11R0.148 C=CCCCCNCC[C@H](C)O 0353515686f8b47cfa1725a469a840df [0,2,0,0,0,0|1,0,1]=4 10732 B11R0.148 C=CCCCCOCCC(=C)C 58526b824d834b930cfb01f560f8540b [0,2,0,0,0,0|0,0,2]=4 10733 B11R0.148 C=CCCCCOCCC(=O)C bcdd79d6b67b4a4decd3603bdc2453a0 [0,2,0,0,0,0|0,0,2]=4 10734 B11R0.148 C=CCCCCOCCC(C)C 751752d7fe51d912648ef9a09238bba9 [0,2,0,0,0,0|0,0,1]=3 10735 B11R0.148 C=CCCCCOCCC(F)F 1c8ad3e3ca7ff3f251d82214305180a2 [0,2,0,0,0,0|1,0,1]=4 10736 B11R0.148 C=CCCCCOCCN(C)C d523937b95ff6fa9e6cec152efab30c6 [0,2,0,0,0,0|1,0,1]=4 10737 B11R0.148 C=CCCCCOCCS(=O)C 083469c77398ba1c3cccd7e2500ef807 [0,2,0,0,0,0|1,0,1]=4 10738 B11R0.148 C=CCCCCOCOC(C)C 4706216acddfa18da1e4cb6c4695171c [0,2,0,0,0,0|1,0,1]=4 10739 B11R0.148 C=CCCCNCCCC(C)C d5d358ecf426909222848658b6290a9d [0,2,0,0,0,0|1,0,1]=4 10740 B11R0.148 C=CCCCNCCCC(C)O 37c09fdce0f2a1ff492d03bb75ea7ce3 [0,2,0,0,0,0|1,0,1]=4 10741 B11R0.148 C=CCCCOCCCC(=C)C 2b7c13c139283cbc092ddeb544552ddc [0,2,0,0,0,0|0,0,2]=4 10742 B11R0.148 C=CCCCOCCCC(=O)C 9e43869cd93b5b6adbf3fc06243b8acf [0,2,0,0,0,0|0,0,2]=4 10743 B11R0.148 C=CCCCOCCCC(C)C 75191be53cd65333ab5d49bff8ef2685 [0,2,0,0,0,0|0,0,1]=3 10744 B11R0.148 C=CCCCOCCCN(C)C b31b896f58f84e6a8c88fc21f38f1e10 [0,2,0,0,0,0|0,0,2]=4 10745 B11R0.148 C=CCCCOCCOC(C)C 061906ba2a546596dede61a37e11d8ba [0,2,0,0,0,0|0,0,2]=4 10746 B11R0.148 C=CCCCOCCSC(C)C 2af1c5344fc8500f7781e2586cef2f80 [0,2,0,0,0,0|0,0,2]=4 10747 B11R0.148 C=CCCOCCCCC(=O)C 05ffe19f846de82006c5eee08e2996e5 [0,2,0,0,0,0|0,0,2]=4 10748 B11R0.148 C=CCCOCCCCC(C)C f6bda8b7c158535f791755a9ce160e8f [0,2,0,0,0,0|0,0,2]=4 10749 B11R0.148 C=CCCOCCCCN(C)C 0b77597dbc1c751ede53a589e14f558c [0,2,0,0,0,0|0,0,2]=4 10750 B11R0.148 C=CCCOCCCOC(C)C c67e76092cd9b40b7a792baade2457cc [0,2,0,0,0,0|0,0,2]=4 10751 B11R0.148 C=CCCOCCCSC(C)C 81f87d26a9777e8e8ec557181ecbfc03 [0,2,0,0,0,0|0,0,2]=4 10752 B11R0.148 C=CCCOCCOCC(C)C 6f2458c37728cb16167561d2ea8304bb [0,2,0,0,0,0|0,0,2]=4 10753 B11R0.148 C=CCCOCCSCC(C)C 13b8def8097178b5155c18c218cfa327 [0,2,0,0,0,0|0,0,2]=4 10754 B11R0.148 C=CCOCCOCCC(C)C c9d7db9ecc1a9edb37fe83cbc6e84e2b [0,2,0,0,0,0|0,0,2]=4 10755 B11R0.148 C=COCCOCCCC(C)C 8a4063091a627bd06b5448845f13930f [0,2,0,0,0,0|0,0,2]=4 10756 B11R0.148 CC#CCCCOCCC(=O)C a16b08654a60b37a314ffc39791df265 [0,2,0,0,0,0|0,0,2]=4 10757 B11R0.148 CC#CCCCOCCC(C)C dcc736145adc4f373e3ffd9a0d8adcda [0,2,0,0,0,0|0,0,1]=3 10758 B11R0.148 CC#CCCCOCCN(C)C c46078f16edd8142944dd22e272f1ea4 [0,2,0,0,0,0|1,0,1]=4 10759 B11R0.148 CC#CCCCOCCS(=O)C b0f357c894b6cfc58287d8968a9c2e5a [0,2,0,0,0,0|1,0,1]=4 10760 B11R0.148 CC#CCCCOCOC(C)C b62b94d9ca513d46c9d016eed182105a [0,2,0,0,0,0|1,0,1]=4 10761 B11R0.148 CC#CCCOCCCC(=O)C 00e5df88f4496d095de010b96f840b5b [0,2,0,0,0,0|0,0,2]=4 10762 B11R0.148 CC#CCCOCCCC(C)C b7b61b4299457ab9db696abe70b2cb79 [0,2,0,0,0,0|0,0,1]=3 10763 B11R0.148 CC#CCCOCCCN(C)C d5d21241752eaa1c88229603bc4c6671 [0,2,0,0,0,0|0,0,2]=4 10764 B11R0.148 CC#CCCOCCOC(C)C 18d9945e04163ce54071d84a199633bc [0,2,0,0,0,0|0,0,2]=4 10765 B11R0.148 CC#CCCOCCSC(C)C c9c68c8fab381f7af329ce2047adbc07 [0,2,0,0,0,0|0,0,2]=4 10766 B11R0.148 CC#CCOCCCCC(=O)C e3bbe5e60de214bac384b9cd48db7ad5 [0,2,0,0,0,0|0,0,2]=4 10767 B11R0.148 CC#CCOCCCCC(C)C d2da52b0c5a70b5942e6ee45770668d4 [0,2,0,0,0,0|0,0,2]=4 10768 B11R0.148 CC#CCOCCCCN(C)C d3d37cede559374059f1f5e5a2ba178f [0,2,0,0,0,0|0,0,2]=4 10769 B11R0.148 CC#CCOCCOCC(C)C 8eadd1842ec6aa62f51f558994d7e47a [0,2,0,0,0,0|0,0,2]=4 10770 B11R0.148 CC(=CCCOCCCCF)C 292387e211d49f28f184f99e419c9e34 [0,2,0,0,0,0|0,0,2]=4 10771 B11R0.148 CC(=CCCOCCCCS)C 9cad5f40b6fbe8f4376ffbe3fe1ab774 [0,2,0,0,0,0|0,0,2]=4 10772 B11R0.148 CC(=CCOCCCCCF)C aba4bbde39eccdc8866c38d8982a7b0c [0,2,0,0,0,0|0,0,2]=4 10773 B11R0.148 CC(=CCOCCCCCF)I 394f5054ce522a0f36c73c83b90fd3c5 [0,2,0,0,0,0|0,0,2]=4 10774 B11R0.148 CC(=O)CCCCNCCCCl 7c7b146c40c0acfb48aadb4e09bd4ce6 [0,2,0,0,0,0|2,0,0]=4 10775 B11R0.148 CC(=O)CCCCNCCCO 5a85a5734691c87d84615e5d2effcf14 [0,2,0,0,0,0|2,0,0]=4 10776 B11R0.148 CC(=O)CCCCOCCC#N ab52fd270045702a1453d24875fb43d3 [0,2,0,0,0,0|1,0,1]=4 10777 B11R0.148 CC(=O)CCCCOCCC=O a1d5774d5e7ba3e60d7a5ab36f55d5ed [0,2,0,0,0,0|1,0,1]=4 10778 B11R0.148 CC(=O)CCCCOCCCF a5a3ce24067ae081ca443bc54de8acf1 [0,2,0,0,0,0|1,0,0]=3 10779 B11R0.148 CC(=O)CCCCOCCCS a7c6975baa6fe8aa2c12bfb3cf806d65 [0,2,0,0,0,0|1,0,0]=3 10780 B11R0.148 CC(=O)CCCNCCCCCl 1c197c6bb43dcf367a806b907cd1775a [0,2,0,0,0,0|1,0,1]=4 10781 B11R0.148 CC(=O)CCCNCCCCO 50b6d540f864c9eb03851c0461d95814 [0,2,0,0,0,0|1,0,1]=4 10782 B11R0.148 CC(=O)CCCNCCCCS 3984288bc637b2b6153052a7460caacb [0,2,0,0,0,0|1,0,1]=4 10783 B11R0.148 CC(=O)CCCOCCCC#N 76f0e519c1863db8f27f5b1697408c8d [0,2,0,0,0,0|0,0,2]=4 10784 B11R0.148 CC(=O)CCCOCCCC=O 6f7237a805ac819f2bc0b5e3560c3209 [0,2,0,0,0,0|0,0,2]=4 10785 B11R0.148 CC(=O)CCCOCCCCF 5c7c199705317ad51fae8cb22f6ec3e8 [0,2,0,0,0,0|0,0,1]=3 10786 B11R0.148 CC(=O)CCCOCCCCS 3689bb9ac1af1c3856b69e96e09668af [0,2,0,0,0,0|0,0,1]=3 10787 B11R0.148 CC(=O)CCNCCCCCCl 55a8ea3d98c3c99a6dc9bb6e45f49262 [0,2,0,0,0,0|1,0,1]=4 10788 B11R0.148 CC(=O)CCNCCCCCO 3e39b9d8eb28be289794d5a85c7d3904 [0,2,0,0,0,0|1,0,1]=4 10789 B11R0.148 CC(=O)CCOCCCCC#N e81867cf766549649cfe4742e836b071 [0,2,0,0,0,0|0,0,2]=4 10790 B11R0.148 CC(=O)CCOCCCCC=O f319f2a7b0adea4b6f8c0fb2de01c220 [0,2,0,0,0,0|0,0,2]=4 10791 B11R0.148 CC(=O)CCOCCCCCF 6bb0a71e61b30b8b2e877852ef4f0b17 [0,2,0,0,0,0|0,0,1]=3 10792 B11R0.148 CC(=O)CCOCCOCCF ab34abce94df03811e4007fc009d5e35 [0,2,0,0,0,0|1,0,1]=4 10793 B11R0.148 CC(=O)CCOCCOCCS bbdaa234f223187e14df1f2faf250639 [0,2,0,0,0,0|1,0,1]=4 10794 B11R0.148 CC(=O)NCCCOCCCF 278d1b65ea6e62b561955d314d2d3131 [0,2,0,0,0,0|1,0,1]=4 10795 B11R0.148 CC(=O)NCCCOCCCO a632547a27b42b4b71b8987091d3d020 [0,2,0,0,0,0|1,0,1]=4 10796 B11R0.148 CC(=O)NCCCOCCCS dde76a5453ba702c453d51f5439d0005 [0,2,0,0,0,0|1,0,1]=4 10797 B11R0.148 CC(=O)NCCOCCCCF aca675fef24c0464e8f3fb4ca64fc764 [0,2,0,0,0,0|1,0,1]=4 10798 B11R0.148 CC(=O)NCCOCCCCS 89b244d09e75bf13d0a9cfbce7bb2aa8 [0,2,0,0,0,0|1,0,1]=4 10799 B11R0.148 CC(=O)NCOCCCCCF 7262ab8b0e74ab16d468d7f82284020a [0,2,0,0,0,0|1,0,1]=4 10800 B11R0.148 CC(=O)OCCCOCCCF 8b1cd558e148cc295d3e8a96e20fa55c [0,2,0,0,0,0|1,0,1]=4 10801 B11R0.148 CC(=O)OCCCOCCCS 5f956e72e2397816126bfa86c31c25fd [0,2,0,0,0,0|1,0,1]=4 10802 B11R0.148 CC(=O)OCCOCCCCF bff1e3b045526225b899ac06b3cb1662 [0,2,0,0,0,0|1,0,1]=4 10803 B11R0.148 CC(=O)OCCOCCCCS 320d405252d1a1516c5714b451a24110 [0,2,0,0,0,0|1,0,1]=4 10804 B11R0.148 CC(=O)SCCCOCCCF 0144d578cbf1f108c724d5de5c55c273 [0,2,0,0,0,0|1,0,1]=4 10805 B11R0.148 CC(=O)SCCCOCCCS e37fe0def850dcd6f513ea65295ce5aa [0,2,0,0,0,0|1,0,1]=4 10806 B11R0.148 CC(=O)SCCOCCCCF 1c1a2a12383ed3dcd84c40e96ec17111 [0,2,0,0,0,0|1,0,1]=4 10807 B11R0.148 CC(=O)SCCOCCCCS f297d7f31e4cc35c65649881a1221170 [0,2,0,0,0,0|1,0,1]=4 10808 B11R0.148 CC(=S)OCCCOCCCF 96c11faaf3e486f90ac1c21723d28ec4 [0,2,0,0,0,0|1,0,1]=4 10809 B11R0.148 CC(=S)OCCCOCCCS cc87474db9495066d80d241a2e6eadd1 [0,2,0,0,0,0|1,0,1]=4 10810 B11R0.148 CC(C)/C=C/COCCCCF 95b8adc4d7b6668a27b27adf2a76120a [0,2,0,0,0,0|0,0,2]=4 10811 B11R0.148 CC(C)/C=C/COCCCCS 038b2f4beca27ff50b17bcd29d0a3f7d [0,2,0,0,0,0|0,0,2]=4 10812 B11R0.148 CC(C)CCCCCCNCF 07e7547058968009f62cd6ff16da8999 [0,2,0,0,0,0|2,0,0]=4 10813 B11R0.148 CC(C)CCCCCCNCO c67da97a578ef941f715194c999211cb [0,2,0,0,0,0|2,0,0]=4 10814 B11R0.148 CC(C)CCCCCCOCF 36d479357b5e82829446ef28eb8b1a82 [0,2,0,0,0,0|2,0,0]=4 10815 B11R0.148 CC(C)CCCCCNCCBr 5bfae438793f7454f530d32498555515 [0,2,0,0,0,0|2,0,0]=4 10816 B11R0.148 CC(C)CCCCCNCCF 311121f2b56de7f318343b5af1e4861e [0,2,0,0,0,0|2,0,0]=4 10817 B11R0.148 CC(C)CCCCCNCCI ac42970a37b4763097f36a692f8763dc [0,2,0,0,0,0|2,0,0]=4 10818 B11R0.148 CC(C)CCCCCNCCO 32c9507b6eccf4ed605d3d1f4db0ad0a [0,2,0,0,0,0|2,0,0]=4 10819 B11R0.148 CC(C)CCCCCNCCS 5dd0a8e19fa133bba1024533db5929fd [0,2,0,0,0,0|2,0,0]=4 10820 B11R0.148 CC(C)CCCCCOCCF 053e5e9ce8475118f344fef73ec64ee6 [0,2,0,0,0,0|2,0,0]=4 10821 B11R0.148 CC(C)CCCCCOCCS e3c032b65206d340dcbdbe7befa98100 [0,2,0,0,0,0|2,0,0]=4 10822 B11R0.148 CC(C)CCCCNCCCCl 7e3a0b0eef096d0effc10b07b8a71a29 [0,2,0,0,0,0|2,0,0]=4 10823 B11R0.148 CC(C)CCCCNCCCO 66fccb49cc596f23a13457d139f2281e [0,2,0,0,0,0|2,0,0]=4 10824 B11R0.148 CC(C)CCCCOCCC#N e7e9b8bdb4d59bda3021d38bf436eddd [0,2,0,0,0,0|1,0,1]=4 10825 B11R0.148 CC(C)CCCCOCCC=O 6b54c6ed6055dfd8bb6d5b44e1d4c0af [0,2,0,0,0,0|1,0,1]=4 10826 B11R0.148 CC(C)CCCCOCCCF f22022e643c6f9df748ddfda7066398d [0,2,0,0,0,0|1,0,0]=3 10827 B11R0.148 CC(C)CCCCOCCCS f157574aeb835abda8a836a9bb318fe8 [0,2,0,0,0,0|1,0,0]=3 10828 B11R0.148 CC(C)CCCNCCCC#N 5880ee1d6f66d2a8573cd86ac063d549 [0,2,0,0,0,0|1,0,1]=4 10829 B11R0.148 CC(C)CCCNCCCC=O 0702fa670a0afe56ec3750251cad2c69 [0,2,0,0,0,0|1,0,1]=4 10830 B11R0.148 CC(C)CCCNCCCCCl b66c5839a7aec3d9fde3e7b06e3afb88 [0,2,0,0,0,0|1,0,0]=3 10831 B11R0.148 CC(C)CCCNCCCCF 5b62733b7f63a4d70558560c2c7a14e4 [0,2,0,0,0,0|1,0,0]=3 10832 B11R0.148 CC(C)CCCNCCCCO f480653b3df19ce94d31cd5ad807be07 [0,2,0,0,0,0|1,0,0]=3 10833 B11R0.148 CC(C)CCCNCCCCS 76b3911ddaa63cc704f4ef8bbfbd7dd8 [0,2,0,0,0,0|1,0,0]=3 10834 B11R0.148 CC(C)CCCOCCCC#N 10e6a2ab21c0c49a5fbe3dc1f2cc91cd [0,2,0,0,0,0|0,0,1]=3 10835 B11R0.148 CC(C)CCCOCCCC=O ffc3c41a9ad33489edd06975d48286e2 [0,2,0,0,0,0|0,0,1]=3 10836 B11R0.148 CC(C)CCCOCCCCF 86092488479b01357dff047de51d9649 [0,2,0,0,0,0|0,0,0]=2 10837 B11R0.148 CC(C)CCCOCCCCS f641a54416f77e2e6a29b94f34090526 [0,2,0,0,0,0|0,0,0]=2 10838 B11R0.148 CC(C)CCCOCCNC=O d6a52476691338aa942578607f83844b [0,2,0,0,0,0|1,0,1]=4 10839 B11R0.148 CC(C)CCCOCCOC=O b0367ec3a7d6e19d3a7ca68e0f859df3 [0,2,0,0,0,0|1,0,1]=4 10840 B11R0.148 CC(C)CCNCCCCC#N 80b17b4cec49b3a20705a7d81e5555d1 [0,2,0,0,0,0|1,0,1]=4 10841 B11R0.148 CC(C)CCNCCCCC=O 68332bf2381c16e84e03b83948d5cb22 [0,2,0,0,0,0|1,0,1]=4 10842 B11R0.148 CC(C)CCNCCCCCCl adc4a73350d78ab8734e29fd29aa9a28 [0,2,0,0,0,0|1,0,0]=3 10843 B11R0.148 CC(C)CCNCCCCCF 98458253075d1b8fc07366d1e30172af [0,2,0,0,0,0|1,0,0]=3 10844 B11R0.148 CC(C)CCNCCCCCO fc49ec5c15f39f3a7337721d9235656e [0,2,0,0,0,0|1,0,0]=3 10845 B11R0.148 CC(C)CCNCCCCON 414394e43359cdf98e0238911ee26128 [0,2,0,0,0,0|2,0,0]=4 10846 B11R0.148 CC(C)CCNCCOCCO 4a3a70eb57e9e5d40f6f89e5df83e729 [0,2,0,0,0,0|2,0,0]=4 10847 B11R0.148 CC(C)CCNCCOCCS a02871a1da5ba6289a98ab47e5651d0c [0,2,0,0,0,0|2,0,0]=4 10848 B11R0.148 CC(C)CCNCCSCCO 3481692462a8eb670bc4437cfecbb82d [0,2,0,0,0,0|2,0,0]=4 10849 B11R0.148 CC(C)CCOCCCCC#N d2cb22228ce009b868e3e86e641f794b [0,2,0,0,0,0|0,0,1]=3 10850 B11R0.148 CC(C)CCOCCCCC=O 5e369a23d4928b276f632455b4e3ea3e [0,2,0,0,0,0|0,0,1]=3 10851 B11R0.148 CC(C)CCOCCCCCF 263dc4239d195e2d75744d8b8f7dca45 [0,2,0,0,0,0|0,0,0]=2 10852 B11R0.148 CC(C)CCOCCOCC#N 4acb3b056c9227756172c97fb09475b4 [0,2,0,0,0,0|1,0,1]=4 10853 B11R0.148 CC(C)CCOCCOCC=O 6bd9d7f66f76f03da229d8b134a3652f [0,2,0,0,0,0|1,0,1]=4 10854 B11R0.148 CC(C)CCOCCOCCF 43ba486bbf74af10421d789f98888b14 [0,2,0,0,0,0|1,0,0]=3 10855 B11R0.148 CC(C)CCOCCOCCS eed1383bde38284f1c30091a1d5adea9 [0,2,0,0,0,0|1,0,0]=3 10856 B11R0.148 CC(C)CNCCCCCCCl fb7a963c923d80447b890dad6814e45d [0,2,0,0,0,0|2,0,0]=4 10857 B11R0.148 CC(C)CNCCCCCCF fcaaec7a06d96e75efe11e2ff627dbf6 [0,2,0,0,0,0|2,0,0]=4 10858 B11R0.148 CC(C)CNCCCCCCO ff6d9ee46e52197dee5255a09adb5386 [0,2,0,0,0,0|2,0,0]=4 10859 B11R0.148 CC(C)CNCCOCCCO c4ab08f2ad883ac30df2d52d85a592df [0,2,0,0,0,0|1,0,0]=3 10860 B11R0.148 CC(C)CNCCOCCON 765d00b9f69e2928a3b45242256dee0c [0,2,0,0,0,0|2,0,0]=4 10861 B11R0.148 CC(C)COCCCCCCF 3d0d1a42b0e4886a3a26fdbd34de3d18 [0,2,0,0,0,0|2,0,0]=4 10862 B11R0.148 CC(C)COCCCCCCS b80d7e4caeef24a8a7885a1b586e8b78 [0,2,0,0,0,0|2,0,0]=4 10863 B11R0.148 CC(C)COCCNCCCCl 78529005f9e0791abd5874c2de32a9e1 [0,2,0,0,0,0|2,0,0]=4 10864 B11R0.148 CC(C)COCCNCCCO 22e30f46eb7b56bb549b3a3c326c497e [0,2,0,0,0,0|2,0,0]=4 10865 B11R0.148 CC(C)COCCOCCC#N 753ce14784b0b96a4bef485fec62ffdb [0,2,0,0,0,0|1,0,1]=4 10866 B11R0.148 CC(C)COCCOCCC=O 5f6d6680943cf440406418c8c53005a1 [0,2,0,0,0,0|1,0,1]=4 10867 B11R0.148 CC(C)COCCOCCCF 259edd9fa829566eb5fb51f678f517e4 [0,2,0,0,0,0|1,0,0]=3 10868 B11R0.148 CC(C)COCCOCCCS 39fd5c104adb07a2c1dd58f7072e9c8e [0,2,0,0,0,0|1,0,0]=3 10869 B11R0.148 CC(C)CSCCOCCC#N e8bf7ff6602a690b93f82f41af5caaa0 [0,2,0,0,0,0|1,0,1]=4 10870 B11R0.148 CC(C)CSCCOCCC=O 4f5d9fcbfe06b158fe1edc9950fe5dac [0,2,0,0,0,0|1,0,1]=4 10871 B11R0.148 CC(C)CSCCOCCCF 3bcea13d8cedf0c54c8e2c1b340d4da6 [0,2,0,0,0,0|1,0,0]=3 10872 B11R0.148 CC(C)CSCCOCCCS 2974362d777fb8fea6c46abbefa02ab1 [0,2,0,0,0,0|1,0,0]=3 10873 B11R0.148 CC(C)NCCCCCCCO c837ff2d926a42272236a6f998018725 [0,2,0,0,0,0|2,0,0]=4 10874 B11R0.148 CC(C)NCCCOCCCO fb68545dd245eb5005035f230bed1579 [0,2,0,0,0,0|1,0,0]=3 10875 B11R0.148 CC(C)OCCCNCCCF bdda768572ecd88b5a1d02680b552d25 [0,2,0,0,0,0|2,0,0]=4 10876 B11R0.148 CC(C)OCCCNCCCO ce796548e262da553cfdbcb620504e47 [0,2,0,0,0,0|2,0,0]=4 10877 B11R0.148 CC(C)OCCCNCCCS b848358b1e47e30c595e496b366e330e [0,2,0,0,0,0|2,0,0]=4 10878 B11R0.148 CC(C)OCCCOCCC#N 70b6d4f0a4cc6c975a6a18f43b64f742 [0,2,0,0,0,0|1,0,1]=4 10879 B11R0.148 CC(C)OCCCOCCC=O 9396d152c59a263d37583e288661903d [0,2,0,0,0,0|1,0,1]=4 10880 B11R0.148 CC(C)OCCCOCCCF 8ea21deb05adffec2de519798665811c [0,2,0,0,0,0|1,0,0]=3 10881 B11R0.148 CC(C)OCCCOCCCS d8082fd40b1d6637a5576909480a3a81 [0,2,0,0,0,0|1,0,0]=3 10882 B11R0.148 CC(C)OCCNCCCCCl 5a1d1c4f1956433e2fdd0f12a1a1101b [0,2,0,0,0,0|2,0,0]=4 10883 B11R0.148 CC(C)OCCNCCCCF b4d02eb2b954a48e9685f9edfdc81340 [0,2,0,0,0,0|2,0,0]=4 10884 B11R0.148 CC(C)OCCNCCCCO be173305c5b747f684d834ee581639e1 [0,2,0,0,0,0|2,0,0]=4 10885 B11R0.148 CC(C)OCCNCCCCS 3953be1b833b40e1ad3730400ca547f0 [0,2,0,0,0,0|2,0,0]=4 10886 B11R0.148 CC(C)OCCOCCCC#N f1c4606c13e00aecbff5ded2fd0dc5b4 [0,2,0,0,0,0|1,0,1]=4 10887 B11R0.148 CC(C)OCCOCCCC=O 08889d30d9bf1368b878fc05ddcdeb1d [0,2,0,0,0,0|1,0,1]=4 10888 B11R0.148 CC(C)OCCOCCCCF 252d32d2d37caacf547ca2d45d01dbb8 [0,2,0,0,0,0|1,0,0]=3 10889 B11R0.148 CC(C)OCCOCCCCS efc5b4ba20b15926bc4e36d15b2974cb [0,2,0,0,0,0|1,0,0]=3 10890 B11R0.148 CC(C)OCNCCCCCCl eb7da8b7ecb7199d52c93fe842a02464 [0,2,0,0,0,0|2,0,0]=4 10891 B11R0.148 CC(C)OCNCCCCCO 76db31cfb0b94007e16489bf6a856cf4 [0,2,0,0,0,0|2,0,0]=4 10892 B11R0.148 CC(C)OCOCCCCC#N 5c158df21db5f1b89560ead5979d0763 [0,2,0,0,0,0|1,0,1]=4 10893 B11R0.148 CC(C)OCOCCCCC=O 1dac68b4e8b1a26d8d3140fe17b86c37 [0,2,0,0,0,0|1,0,1]=4 10894 B11R0.148 CC(C)OCOCCOCCF 1864221fce0a810d06e7a1fee996f293 [0,2,0,0,0,0|2,0,0]=4 10895 B11R0.148 CC(C)OCOCCOCCS 1929b6fa2a3a08b4a46884cf6a9ce91e [0,2,0,0,0,0|2,0,0]=4 10896 B11R0.148 CC(C)SCCCNCCCF 45e2b2fcb60fb33c22cf63b0583f104a [0,2,0,0,0,0|2,0,0]=4 10897 B11R0.148 CC(C)SCCCNCCCO 7399d2a4d46949d298d3e2a8d0b67f05 [0,2,0,0,0,0|2,0,0]=4 10898 B11R0.148 CC(C)SCCCNCCCS eecac66c00435a223226885359ea2660 [0,2,0,0,0,0|2,0,0]=4 10899 B11R0.148 CC(C)SCCCOCCC#N c798e9a79370646b08daaf23bffb48f0 [0,2,0,0,0,0|1,0,1]=4 10900 B11R0.148 CC(C)SCCCOCCC=O b735f987ed8d03e6f6e3e290373f0063 [0,2,0,0,0,0|1,0,1]=4 10901 B11R0.148 CC(C)SCCCOCCCF f67fd2d0eb1f09842e513b19c2ded1c1 [0,2,0,0,0,0|1,0,0]=3 10902 B11R0.148 CC(C)SCCCOCCCS ce6da86acf46e6d2ddd388d0dd1e4988 [0,2,0,0,0,0|1,0,0]=3 10903 B11R0.148 CC(C)SCCNCCCCCl 4078dfb9c3a72d5ff2d0927e03ce58b1 [0,2,0,0,0,0|2,0,0]=4 10904 B11R0.148 CC(C)SCCNCCCCO fc85932b134297b0cc9d024729cf1339 [0,2,0,0,0,0|2,0,0]=4 10905 B11R0.148 CC(C)SCCNCCCCS b9ceb4dcd6f1480f70ae135b75752681 [0,2,0,0,0,0|2,0,0]=4 10906 B11R0.148 CC(C)SCCOCCCC#N 43b2506f30a2292e32a5d1bf0be82984 [0,2,0,0,0,0|1,0,1]=4 10907 B11R0.148 CC(C)SCCOCCCC=O 2262d2a8c5cf4f4eeacf1e5dd6fc3b87 [0,2,0,0,0,0|1,0,1]=4 10908 B11R0.148 CC(C)SCCOCCCCF 3942a6ec1543071a49dbbc86192f6027 [0,2,0,0,0,0|1,0,0]=3 10909 B11R0.148 CC(C)SCCOCCCCS a350691df9fed755a00a432dba19bd4d [0,2,0,0,0,0|1,0,0]=3 10910 B11R0.148 CC(F)COCCCCCCF 0419c55c08be45e2ff9c141d2ac1b7d0 [0,2,0,0,0,0|2,0,0]=4 10911 B11R0.148 CC(O)CCCCNCCCCl 82e45c1ce88e44235d045bdc773fc20d [0,2,0,0,0,0|2,0,0]=4 10912 B11R0.148 CC(O)CCCCNCCCO c21e68376b74a4270591e394eb58b490 [0,2,0,0,0,0|2,0,0]=4 10913 B11R0.148 CC(O)CCCNCCCC#N 8d025945582efb5f675b95149c821bc6 [0,2,0,0,0,0|1,0,1]=4 10914 B11R0.148 CC(O)CCCNCCCCCl 0025e61905595b4183c78484c6ac6353 [0,2,0,0,0,0|1,0,0]=3 10915 B11R0.148 CC(O)CCCNCCCCO 3793e3cf16ce7d82568c302cad84803a [0,2,0,0,0,0|1,0,0]=3 10916 B11R0.148 CC(O)CCCNCCCCS 5e9fef9fba36d0d44964e7a251c656af [0,2,0,0,0,0|1,0,0]=3 10917 B11R0.148 CC(O)CCNCCCCC#N a6d6947747d99cddcf630743f3182e56 [0,2,0,0,0,0|1,0,1]=4 10918 B11R0.148 CC(O)CCNCCCCC=O 70737627ac14d6796e688af3fb3817ad [0,2,0,0,0,0|1,0,1]=4 10919 B11R0.148 CC(O)CCNCCCCCCl af5b3f409236dd9461c4e9723383c715 [0,2,0,0,0,0|1,0,0]=3 10920 B11R0.148 CC(O)CCNCCCCCF c0f7e3239303be23f708ac5238b7ee17 [0,2,0,0,0,0|1,0,0]=3 10921 B11R0.148 CC(O)CCNCCCCCO b1137dcf863a1f0f413c1d6c91a9e0b1 [0,2,0,0,0,0|1,0,0]=3 10922 B11R0.148 CC(O)CCNCCCCON de2ec5b7ef6a3deeb04130a7e10c25d7 [0,2,0,0,0,0|2,0,0]=4 10923 B11R0.148 CC(O)CCNCCOCCO bcbc94634604a20e287c82202be6f970 [0,2,0,0,0,0|2,0,0]=4 10924 B11R0.148 CC(O)CCNCCOCCS 94e31dcf863958414d39a0ac5a1049d6 [0,2,0,0,0,0|2,0,0]=4 10925 B11R0.148 CC(O)CCNCCSCCO c1a50927505f9f41ba9bdf2b85ac0b53 [0,2,0,0,0,0|2,0,0]=4 10926 B11R0.148 CC(O)CNCCCCCCCl ab3a2559e3a1c323e11a57f0e5845650 [0,2,0,0,0,0|2,0,0]=4 10927 B11R0.148 CC(O)CNCCCCCCF 204b7a8ba6869b1a7efa6b88d525a835 [0,2,0,0,0,0|2,0,0]=4 10928 B11R0.148 CC(O)CNCCCCCCO 36eca31e338ce79c2fd6b65828843992 [0,2,0,0,0,0|2,0,0]=4 10929 B11R0.148 CC(O)CNCCOCCCO 57378eb39fdecb944c2a794b7f98e571 [0,2,0,0,0,0|1,0,0]=3 10930 B11R0.148 CC(O)CNCCOCCON 0d5013f2f185682f96f66f4637463f8d [0,2,0,0,0,0|2,0,0]=4 10931 B11R0.148 CC(S)COCCCCCCF b7a2a1405464ead274775b1ed0da78c4 [0,2,0,0,0,0|2,0,0]=4 10932 B11R0.148 CC/C=C/CCOCCC(=O)C c4bfcc2faa6b266f64a44f7a2cea6d9f [0,2,0,0,0,0|0,0,2]=4 10933 B11R0.148 CC/C=C/CCOCCC(C)C 0c409bbce4f0953e5714918144060bc0 [0,2,0,0,0,0|0,0,1]=3 10934 B11R0.148 CC/C=C/CCOCCN(C)C 9f9441228ffa3eb3071f32bb4c2156e6 [0,2,0,0,0,0|1,0,1]=4 10935 B11R0.148 CC/C=C/CCOCCS(=O)C 636f7d472631c8a28f47af68fbf3dd18 [0,2,0,0,0,0|1,0,1]=4 10936 B11R0.148 CC/C=C/CCOCOC(C)C e78ad72511e971952ad04bd7608f4fa0 [0,2,0,0,0,0|1,0,1]=4 10937 B11R0.148 CC/C=C/CNCCCC(C)C dd92a520afe2c7227f226d879c8c4223 [0,2,0,0,0,0|1,0,1]=4 10938 B11R0.148 CC/C=C/COCCCC(=O)C 54c87300b48f9bbe4f4fbe6ed5ac470f [0,2,0,0,0,0|0,0,2]=4 10939 B11R0.148 CC/C=C/COCCCC(C)C 8d5313ce42fe76520ae4b4f08c512cca [0,2,0,0,0,0|0,0,1]=3 10940 B11R0.148 CC/C=C/COCCCN(C)C b1d48cba9bcef1319e4317e8f5b0cc2f [0,2,0,0,0,0|0,0,2]=4 10941 B11R0.148 CC/C=C/COCCOC(C)C fe3d3533188fcd7f341a17863b98be1c [0,2,0,0,0,0|0,0,2]=4 10942 B11R0.148 CC/C=C/COCCSC(C)C 588114b283c47acd7bffa6e2be09b9cc [0,2,0,0,0,0|0,0,2]=4 10943 B11R0.148 CC/C=C\CCNCCC(C)C 6a3cabd009c8f25df7594bac6c761814 [0,2,0,0,0,0|1,0,1]=4 10944 B11R0.148 CC/C=C\CCNCCC(C)O c665383f5fbf967ba7cfc2537fb515ab [0,2,0,0,0,0|1,0,1]=4 10945 B11R0.148 CC/C=C\CCNCC[C@@H](C)O 7c9b7f670eefb8999e7ad7fc265a06c6 [0,2,0,0,0,0|1,0,1]=4 10946 B11R0.148 CC/C=C\CCNCC[C@H](C)O 55c96021768f05b6ad6bfef79bc6610d [0,2,0,0,0,0|1,0,1]=4 10947 B11R0.148 CC/C=C\CCOCCC(=O)C 28eb2f180b3260523b6c71f60031cd53 [0,2,0,0,0,0|0,0,2]=4 10948 B11R0.148 CC/C=C\CCOCCC(C)C 5dbcceee9676e5d2ec6618069adfb935 [0,2,0,0,0,0|0,0,1]=3 10949 B11R0.148 CC/C=C\CCOCCC(F)F 752db6921ca46bb8d65ed41490791cc0 [0,2,0,0,0,0|1,0,1]=4 10950 B11R0.148 CC/C=C\CCOCCN(C)C 99d65fa6de9052da231c731a4b8a2965 [0,2,0,0,0,0|1,0,1]=4 10951 B11R0.148 CC/C=C\CCOCCS(=O)C d50d518acb592b170308ddca015fb4ba [0,2,0,0,0,0|1,0,1]=4 10952 B11R0.148 CC/C=C\CCOCOC(C)C b7888d582109a153668c730912944546 [0,2,0,0,0,0|1,0,1]=4 10953 B11R0.148 CC/C=C\COCCCC(=O)C 77743bb831eabbbe77d42982616b49d5 [0,2,0,0,0,0|0,0,2]=4 10954 B11R0.148 CC/C=C\COCCCC(C)C c74ef8b6d3de5c4612de62973b0cf9b3 [0,2,0,0,0,0|0,0,1]=3 10955 B11R0.148 CC/C=C\COCCCN(C)C 1635d9f4ab7eb11d60087ee2026f869f [0,2,0,0,0,0|0,0,2]=4 10956 B11R0.148 CC/C=C\COCCOC(C)C 0b2e9d6ea8b1205f6647b1d31cfad22c [0,2,0,0,0,0|0,0,2]=4 10957 B11R0.148 CC/C=C\COCCSC(C)C 7ce54d2a8c3da962aac7aeac6e3d8f30 [0,2,0,0,0,0|0,0,2]=4 10958 B11R0.148 CC=C=CCCOCCC(C)C e51e73c9bc1fde01f20868a3e28707de [0,2,0,0,0,0|0,0,2]=4 10959 B11R0.148 CC=CCCCOCCC(=O)C 50bcf156e2369b18b56816d1805153d2 [0,2,0,0,0,0|0,0,2]=4 10960 B11R0.148 CC=CCCCOCCC(C)C 42aa7259db997d65a8a2bd4af62b98ef [0,2,0,0,0,0|0,0,1]=3 10961 B11R0.148 CC=CCCCOCCN(C)C 1cd3ffaa631e0557c1a75141ccc4dec0 [0,2,0,0,0,0|1,0,1]=4 10962 B11R0.148 CC=CCCCOCCS(=O)C 37d312764365693913a4c44101ed8a0e [0,2,0,0,0,0|1,0,1]=4 10963 B11R0.148 CC=CCCCOCOC(C)C ac0943bfe29e53880c4bb6a102c23527 [0,2,0,0,0,0|1,0,1]=4 10964 B11R0.148 CC=CCOCCCCC(=O)C 5c6450f66cf65929f42847c908ea9f53 [0,2,0,0,0,0|0,0,2]=4 10965 B11R0.148 CC=CCOCCCCC(C)C 53aee0d6adcb73e5269f489f2284278e [0,2,0,0,0,0|0,0,2]=4 10966 B11R0.148 CC=CCOCCCCN(C)C e7b0eb5da5f1b3430a41c6238a96fc78 [0,2,0,0,0,0|0,0,2]=4 10967 B11R0.148 CC=CCOCCOCC(C)C 5ea5c3043ea89098ad75fcdcc2bac682 [0,2,0,0,0,0|0,0,2]=4 10968 B11R0.148 CCC#CCCOCCC(=O)C 134beb0fd0e90bb7b991b9c0969328dc [0,2,0,0,0,0|0,0,2]=4 10969 B11R0.148 CCC#CCCOCCC(C)C 86bf9496347c7822f90044c2dc56a7b9 [0,2,0,0,0,0|0,0,1]=3 10970 B11R0.148 CCC#CCCOCCN(C)C 3b308d693661361aeaf0164a6f7628be [0,2,0,0,0,0|1,0,1]=4 10971 B11R0.148 CCC#CCCOCCS(=O)C c8033ce2db571b40bbd60f12b61601aa [0,2,0,0,0,0|1,0,1]=4 10972 B11R0.148 CCC#CCCOCOC(C)C 6ca6f19f41f2c81c71005d095a833d07 [0,2,0,0,0,0|1,0,1]=4 10973 B11R0.148 CCC#CCNCCCC(C)C 41b9f37a7649c95beee13faaa791e502 [0,2,0,0,0,0|1,0,1]=4 10974 B11R0.148 CCC#CCOCCCC(=O)C 5308ec2d6b8156346b47089d93b2d77b [0,2,0,0,0,0|0,0,2]=4 10975 B11R0.148 CCC#CCOCCCC(C)C 0c2ed2198ba36fbd9e74749645769487 [0,2,0,0,0,0|0,0,1]=3 10976 B11R0.148 CCC#CCOCCCN(C)C 0b79eaaa9d5fc188ccfe5c9a66d390b7 [0,2,0,0,0,0|0,0,2]=4 10977 B11R0.148 CCC#CCOCCOC(C)C ff40a9c94906bc59d59f582b1e44a234 [0,2,0,0,0,0|0,0,2]=4 10978 B11R0.148 CCC#CCOCCSC(C)C bc557dcaa94115e32a5ff1b989908d1d [0,2,0,0,0,0|0,0,2]=4 10979 B11R0.148 CCC/C=C/CCCOC(C)C fca6975d48f6ae32f4a3c200341884fd [0,2,0,0,0,0|1,0,1]=4 10980 B11R0.148 CCC/C=C/CNCCC(C)C 6f8c333c26a56543fa151f740e3c6e90 [0,2,0,0,0,0|1,0,1]=4 10981 B11R0.148 CCC/C=C/CNCCC(C)O 89fad9391cc06b506b7c0ec51c8d288b [0,2,0,0,0,0|1,0,1]=4 10982 B11R0.148 CCC/C=C/CNCC[C@@H](C)O 22cae726a89ef20c7dc05a17dbd382ed [0,2,0,0,0,0|1,0,1]=4 10983 B11R0.148 CCC/C=C/CNCC[C@H](C)O 1958e30635c0e57ac10c4c45d0cb9b1a [0,2,0,0,0,0|1,0,1]=4 10984 B11R0.148 CCC/C=C/COCCC(=O)C 730a817159c6259737b15b14c6084f30 [0,2,0,0,0,0|0,0,2]=4 10985 B11R0.148 CCC/C=C/COCCC(C)C 6d75d8990c157242cfcc3b961a9d1a1a [0,2,0,0,0,0|0,0,1]=3 10986 B11R0.148 CCC/C=C/COCCC(F)F a6a282b4e19971c6f80ba22089456ed4 [0,2,0,0,0,0|1,0,1]=4 10987 B11R0.148 CCC/C=C/COCCN(C)C 247392007c4bcba4628373a5113ff84e [0,2,0,0,0,0|1,0,1]=4 10988 B11R0.148 CCC/C=C/COCCS(=O)C afd4b4be0c59dab72a8b26d17df0cd75 [0,2,0,0,0,0|1,0,1]=4 10989 B11R0.148 CCC/C=C/COCOC(C)C c148be09cc99be412c6ba5a25833596e [0,2,0,0,0,0|1,0,1]=4 10990 B11R0.148 CCC/C=C\CCCOC(C)C f838c4d4cc1e4b0f7f5c96ce294b04d4 [0,2,0,0,0,0|1,0,1]=4 10991 B11R0.148 CCC/C=C\CCOCC(C)C b74dab49cada38c15b5404cab4868f85 [0,2,0,0,0,0|1,0,1]=4 10992 B11R0.148 CCC/C=C\CNCCC(C)C 7ea17bd0cd2a7709c492e168a283ec80 [0,2,0,0,0,0|1,0,1]=4 10993 B11R0.148 CCC/C=C\CNCCC(C)O e8db7340212b5e0da4cf4275df7cb386 [0,2,0,0,0,0|1,0,1]=4 10994 B11R0.148 CCC/C=C\CNCC[C@@H](C)O 3025fedac0f9544a202214dee6dd5c78 [0,2,0,0,0,0|1,0,1]=4 10995 B11R0.148 CCC/C=C\CNCC[C@H](C)O 89aff8df427ff1b6c6f7e53bfa2ac462 [0,2,0,0,0,0|1,0,1]=4 10996 B11R0.148 CCC/C=C\COCCC(=O)C c68bb835449bc16f8fbfaf4651567962 [0,2,0,0,0,0|0,0,2]=4 10997 B11R0.148 CCC/C=C\COCCC(C)C c5479b045151e057ab4dc16410f97d0c [0,2,0,0,0,0|0,0,1]=3 10998 B11R0.148 CCC/C=C\COCCC(F)F 43ccebf4f1a50cfa2e576ec6c7a190fc [0,2,0,0,0,0|1,0,1]=4 10999 B11R0.148 CCC/C=C\COCCN(C)C 781cf1133f10259a297d31b220e3da03 [0,2,0,0,0,0|1,0,1]=4 11000 B11R0.148 CCC/C=C\COCCS(=O)C d9c96e877b538e74b2a61695865553d4 [0,2,0,0,0,0|1,0,1]=4 11001 B11R0.148 CCC/C=C\COCOC(C)C dfe270afbec4b3847e38ba2878a19399 [0,2,0,0,0,0|1,0,1]=4 11002 B11R0.148 CCCC#CCCOCC(C)C 50b316f079d93a950ff086096beebc67 [0,2,0,0,0,0|1,0,1]=4 11003 B11R0.148 CCCC#CCOCCC(=O)C 94acf0dc8f087b21a6c41b379fa399c8 [0,2,0,0,0,0|0,0,2]=4 11004 B11R0.148 CCCC#CCOCCC(C)C c3f2e6bf383e6d0cb4f534ac26398dd0 [0,2,0,0,0,0|0,0,1]=3 11005 B11R0.148 CCCC#CCOCCN(C)C 95077e772bcce223cb4a7d48f28252c6 [0,2,0,0,0,0|1,0,1]=4 11006 B11R0.148 CCCC#CCOCCS(=O)C a15c1ffce03f914f00fa6dc4d9fef72d [0,2,0,0,0,0|1,0,1]=4 11007 B11R0.148 CCCC#CCOCOC(C)C f92ccfbcee6d4706af39ae79bb3165dc [0,2,0,0,0,0|1,0,1]=4 11008 B11R0.148 CCCC/C=C/CNCC(C)C 7a789f1689393d08143703e711d4b409 [0,2,0,0,0,0|1,0,1]=4 11009 B11R0.148 CCCC/C=C/CNCC(C)O 9ee3da7f4a6c2644145d5a60ad5533e4 [0,2,0,0,0,0|1,0,1]=4 11010 B11R0.148 CCCC/C=C/CNC[C@@H](C)O ba3897740d8a71ab13c816a796594c12 [0,2,0,0,0,0|1,0,1]=4 11011 B11R0.148 CCCC/C=C/CNC[C@H](C)O c0a11071e6a5392813d32dd134bd1434 [0,2,0,0,0,0|1,0,1]=4 11012 B11R0.148 CCCC/C=C/COCC(C)C 9040116257f467894290d7eab03d4451 [0,2,0,0,0,0|1,0,1]=4 11013 B11R0.148 CCCC/C=C/COCC(C)F 2f4605998e1ae10988a94362c384302f [0,2,0,0,0,0|1,0,1]=4 11014 B11R0.148 CCCC/C=C/COCC(C)S 9ab6f4ceb0f7d2c89dfcdc9ede520261 [0,2,0,0,0,0|1,0,1]=4 11015 B11R0.148 CCCC/C=C/COC[C@@H](C)F bbd47e6833a3438ff9ed7cf5061d97eb [0,2,0,0,0,0|1,0,1]=4 11016 B11R0.148 CCCC/C=C/COC[C@H](C)F c3e17484959aac402d71b1474d8a2472 [0,2,0,0,0,0|1,0,1]=4 11017 B11R0.148 CCCC/C=C\CCOC(C)C 89a52c48c6e32a89b86b0236e123d37f [0,2,0,0,0,0|1,0,1]=4 11018 B11R0.148 CCCC/C=C\CNCC(C)C 9bff76718e3a43599d02b18c86d86c69 [0,2,0,0,0,0|1,0,1]=4 11019 B11R0.148 CCCC/C=C\CNCC(C)O e3ee2750312fb24a99d3059bd9425b2c [0,2,0,0,0,0|1,0,1]=4 11020 B11R0.148 CCCC/C=C\CNC[C@@H](C)O e66c5c0c8171dae2454ba88aae25bc59 [0,2,0,0,0,0|1,0,1]=4 11021 B11R0.148 CCCC/C=C\CNC[C@H](C)O 028303a43d776784969fd6779bee966b [0,2,0,0,0,0|1,0,1]=4 11022 B11R0.148 CCCC/C=C\COCC(C)C 2359268ed2748930965e8dcf242402f1 [0,2,0,0,0,0|1,0,1]=4 11023 B11R0.148 CCCC/C=C\COCC(C)F a2ac7f201c54c6fdcdf315dd111312ba [0,2,0,0,0,0|1,0,1]=4 11024 B11R0.148 CCCC/C=C\COCC(C)S 4980b8005446c1a5cd35caf85ab77680 [0,2,0,0,0,0|1,0,1]=4 11025 B11R0.148 CCCC/C=C\COC[C@@H](C)F 9660753b5d1018765d4e3cf532016241 [0,2,0,0,0,0|1,0,1]=4 11026 B11R0.148 CCCC/C=C\COC[C@H](C)F da88a4568dd9fdd4ea1413f4251603d9 [0,2,0,0,0,0|1,0,1]=4 11027 B11R0.148 CCCCC#CCCOC(C)C c3b32ee8a3f03f531a4751e49d1caf2b [0,2,0,0,0,0|1,0,1]=4 11028 B11R0.148 CCCCC#CCOCC(C)C 474421a86769d740b641e726f215a385 [0,2,0,0,0,0|1,0,1]=4 11029 B11R0.148 CCCCC/C=C/COC(C)C 202fb39b8f6d6bc927c68e6d7c25ec4b [0,2,0,0,0,0|1,0,1]=4 11030 B11R0.148 CCCCCC#CCOC(C)C bfc06720e8c0fd7918d141d4952cf172 [0,2,0,0,0,0|1,0,1]=4 11031 B11R0.148 CCCCCCCCNC(=O)C 9209ef01a8d3ac54b45708fef3a289cf [0,2,0,0,0,0|1,0,1]=4 11032 B11R0.148 CCCCCCCCNC(C)C f8be70ea57d82353a700029658149a3c [0,2,0,0,0,0|1,0,0]=3 11033 B11R0.148 CCCCCCCCOC(C)C 9ea4ce62ae8de285c4f7fbe1b0cab410 [0,2,0,0,0,0|1,0,0]=3 11034 B11R0.148 CCCCCCCNCC(=O)C ac5ad78030b2337dde4637cf4e637be8 [0,2,0,0,0,0|1,0,1]=4 11035 B11R0.148 CCCCCCCNCC(C)C a6f5f3319ec648228042e08d701693df [0,2,0,0,0,0|1,0,0]=3 11036 B11R0.148 CCCCCCCNCC(C)O 4ec41632ad94b262d50d201b12eea63c [0,2,0,0,0,0|1,0,0]=3 11037 B11R0.148 CCCCCCCNCC(F)F 98a23d5ff913760df8927fe1c2637ed0 [0,2,0,0,0,0|2,0,0]=4 11038 B11R0.148 CCCCCCCNCN(C)C c7da38a67066758badf6ec7b2263b114 [0,2,0,0,0,0|2,0,0]=4 11039 B11R0.148 CCCCCCCNC[C@@H](C)O 2f370e1df4cf53b1cc448becf8319123 [0,2,0,0,0,0|1,0,0]=3 11040 B11R0.148 CCCCCCCNC[C@H](C)O ffa725a82af0b73a341a438150dba913 [0,2,0,0,0,0|1,0,0]=3 11041 B11R0.148 CCCCCCCOCC(=O)C dc592c317774d5dcca7353cd0379c413 [0,2,0,0,0,0|1,0,1]=4 11042 B11R0.148 CCCCCCCOCC(C)C ad3ae6978b7cab5e4f36953662c27905 [0,2,0,0,0,0|1,0,0]=3 11043 B11R0.148 CCCCCCCOCC(C)F 33a0b8718e62e417560f50061beac913 [0,2,0,0,0,0|1,0,0]=3 11044 B11R0.148 CCCCCCCOCC(C)S 334a25565096fb2521cc4f67349f8197 [0,2,0,0,0,0|1,0,0]=3 11045 B11R0.148 CCCCCCCOCC(F)F f4aeee014af9241eeaa3faa59643b9b3 [0,2,0,0,0,0|2,0,0]=4 11046 B11R0.148 CCCCCCCOCN(C)C f6b916735482abc78d11dccfc9c6846d [0,2,0,0,0,0|2,0,0]=4 11047 B11R0.148 CCCCCCCOC[C@@H](C)F f33eaea45680a42f69cd64fc91fbe87f [0,2,0,0,0,0|1,0,0]=3 11048 B11R0.148 CCCCCCCOC[C@H](C)F ac3873facc4a14eeb0ce41b7cc7d7a71 [0,2,0,0,0,0|1,0,0]=3 11049 B11R0.148 CCCCCCNCCC(=O)C dae7d5a91b1ed61fc00f967bfae50950 [0,2,0,0,0,0|1,0,1]=4 11050 B11R0.148 CCCCCCNCCC(C)C 135d433468be89f5a4b50279268055b1 [0,2,0,0,0,0|1,0,0]=3 11051 B11R0.148 CCCCCCNCCC(C)O b61f5b6cff5c878fd1c98373352f3fc1 [0,2,0,0,0,0|1,0,0]=3 11052 B11R0.148 CCCCCCNCCC(F)F f204747981d382370cfc771627ba36f0 [0,2,0,0,0,0|2,0,0]=4 11053 B11R0.148 CCCCCCNCCN(C)C feca8b54bbb8ece79ee6eb8dd4407d43 [0,2,0,0,0,0|2,0,0]=4 11054 B11R0.148 CCCCCCNCCS(=O)C 475c88c63a6ae669c4c216d277e2870d [0,2,0,0,0,0|2,0,0]=4 11055 B11R0.148 CCCCCCNCC[C@@H](C)O 5073f91f32a9c4b3d6ac7aff2d46c023 [0,2,0,0,0,0|1,0,0]=3 11056 B11R0.148 CCCCCCNCC[C@H](C)O 87478981820d3d93e2f171457dfcd978 [0,2,0,0,0,0|1,0,0]=3 11057 B11R0.148 CCCCCCNCOC(C)C 5eb95ccd66322531ca3ff1369740f669 [0,2,0,0,0,0|2,0,0]=4 11058 B11R0.148 CCCCCCOC/C=C(/C)\Cl 3217da00020186109ac684268f3a4229 [0,2,0,0,0,0|0,0,2]=4 11059 B11R0.148 CCCCCCOC/C=C(/C)\I 42d6eaabbd9ccb5371b986581e746e3c [0,2,0,0,0,0|0,0,2]=4 11060 B11R0.148 CCCCCCOC/C=C(\C)/Cl fe5511dbc0d53edaf2e45e378bf83eb9 [0,2,0,0,0,0|0,0,2]=4 11061 B11R0.148 CCCCCCOCC=C(C)C 01521535f7ea090dd629b3eba93168e9 [0,2,0,0,0,0|0,0,2]=4 11062 B11R0.148 CCCCCCOCC=C(C)Cl 449202f9925926f3cc218782fb7d580a [0,2,0,0,0,0|0,0,2]=4 11063 B11R0.148 CCCCCCOCC=C(C)I 8716b7b87fe38c49ecc86d416f4d13fd [0,2,0,0,0,0|0,0,2]=4 11064 B11R0.148 CCCCCCOCCC(=O)C ba6ca6ffd5fb9c6cc4e8d129cf77ebb5 [0,2,0,0,0,0|0,0,1]=3 11065 B11R0.148 CCCCCCOCCC(=O)N 54320f1e572400bcb39399fa00db0727 [0,2,0,0,0,0|1,0,1]=4 11066 B11R0.148 CCCCCCOCCC(=O)O 4717319825633e38fbcaeec5411785fc [0,2,0,0,0,0|1,0,1]=4 11067 B11R0.148 CCCCCCOCCC(C)C f11cf86494cac2c289cc293249eaba1a [0,2,0,0,0,0|0,0,0]=2 11068 B11R0.148 CCCCCCOCCC(F)F 557344c55868e1bf03b2646f878a1ba6 [0,2,0,0,0,0|1,0,0]=3 11069 B11R0.148 CCCCCCOCCN(C)C 95bea298cb2735202435a59ed6005be9 [0,2,0,0,0,0|1,0,0]=3 11070 B11R0.148 CCCCCCOCCS(=O)C 48fd1036c35525fa02a6d7c816b35e4a [0,2,0,0,0,0|1,0,0]=3 11071 B11R0.148 CCCCCCOCC[N+](=O)[O-] de5eb72a8a9f184e849a2b75f8c48976 [0,2,0,0,0,0|2,0,0]=4 11072 B11R0.148 CCCCCCOCNC(=O)C 821b7a0837138668b121aff777d67519 [0,2,0,0,0,0|1,0,1]=4 11073 B11R0.148 CCCCCCOCOC(=O)C 7357a2b41ac7b5a18efb5ca4e2678b36 [0,2,0,0,0,0|1,0,1]=4 11074 B11R0.148 CCCCCCOCOC(C)C d0cfab7370c150d3300d4ffdecfbe6d3 [0,2,0,0,0,0|1,0,0]=3 11075 B11R0.148 CCCCCNC/C=C/C(C)C d7d2cc7b858d16bae64842f05b6b9796 [0,2,0,0,0,0|1,0,1]=4 11076 B11R0.148 CCCCCNCCC=C(C)C d6637617b4955445c507124ad86b540e [0,2,0,0,0,0|1,0,1]=4 11077 B11R0.148 CCCCCNCCCC(=O)C ae79e8ea156a5e770911e0ef57b141fd [0,2,0,0,0,0|1,0,0]=3 11078 B11R0.148 CCCCCNCCCC(=O)N 6cb86dd703d81819cb42e7bbe50cbf67 [0,2,0,0,0,0|1,0,1]=4 11079 B11R0.148 CCCCCNCCCC(=O)O ce92314d02facc18c8164866ccc58acb [0,2,0,0,0,0|1,0,1]=4 11080 B11R0.148 CCCCCNCCCC(C)C 0361d464bc19c58076a87dd228c3e508 [0,2,0,0,0,0|1,0,0]=3 11081 B11R0.148 CCCCCNCCCC(C)O 6e88f019848ff48aa5580012b93e4ead [0,2,0,0,0,0|1,0,0]=3 11082 B11R0.148 CCCCCNCCCN(C)C 1547883d2249392382111b279fce4865 [0,2,0,0,0,0|1,0,0]=3 11083 B11R0.148 CCCCCNCCCS(=O)C 987b67a292910faec3dd3726262729bb [0,2,0,0,0,0|1,0,0]=3 11084 B11R0.148 CCCCCNCCC[N+](=O)[O-] 10b9119f7a09d0e3363d31224254b5b4 [0,2,0,0,0,0|2,0,0]=4 11085 B11R0.148 CCCCCNCCNC(=O)C 7ff8c0f5354f73956142fbe6902b9879 [0,2,0,0,0,0|1,0,1]=4 11086 B11R0.148 CCCCCNCCOC(=O)C 729f700d5178f65d822ba15d79799d97 [0,2,0,0,0,0|1,0,1]=4 11087 B11R0.148 CCCCCNCCOC(C)C b57e74e61b3907dd5e5c738fd2374ef8 [0,2,0,0,0,0|1,0,0]=3 11088 B11R0.148 CCCCCNCCOC(F)F 8e9dadeedb850c9558d864bd1084b39b [0,2,0,0,0,0|2,0,0]=4 11089 B11R0.148 CCCCCNCCSC(=O)C d915aac4f03ed25f4f02a1b6cd47cc5d [0,2,0,0,0,0|1,0,1]=4 11090 B11R0.148 CCCCCNCCSC(C)C ffdf85c3d23aa8266db58893d1aa2844 [0,2,0,0,0,0|1,0,0]=3 11091 B11R0.148 CCCCCOC/C=C/C(C)C afb911daeb4fd0404f914e7e073954e3 [0,2,0,0,0,0|0,0,1]=3 11092 B11R0.148 CCCCCOCCC=C(C)C 474567c7ad39799d75b5ca9d8bdddc96 [0,2,0,0,0,0|0,0,1]=3 11093 B11R0.148 CCCCCOCCC=C(F)F 4bc2bc592390ae6e531d4933262b3ac3 [0,2,0,0,0,0|0,0,2]=4 11094 B11R0.148 CCCCCOCCCC(=O)C 2d5fb2796be532f83de2b588a833a781 [0,2,0,0,0,0|0,0,0]=2 11095 B11R0.148 CCCCCOCCCC(=O)N 6551ad614f50be62a9bef870153adc2e [0,2,0,0,0,0|0,0,1]=3 11096 B11R0.148 CCCCCOCCCC(C)C 5bb98aa79f2ecd06cca520f7b5a9ee52 [0,2,0,0,0,0|0,0,0]=2 11097 B11R0.148 CCCCCOCCCN(C)C dec28adef2736d73e7ec49798eb9dfa7 [0,2,0,0,0,0|0,0,0]=2 11098 B11R0.148 CCCCCOCCC[N+](=O)[O-] 74c985d4dc1007b525e7950e6e4d8fab [0,2,0,0,0,0|1,0,0]=3 11099 B11R0.148 CCCCCOCCNC(=O)C 89e6bc94e5e2df2872af87ea20002aa7 [0,2,0,0,0,0|0,0,1]=3 11100 B11R0.148 CCCCCOCCNC(=O)N 13c3811bac8616ed5cb39b3a52e35835 [0,2,0,0,0,0|1,0,1]=4 11101 B11R0.148 CCCCCOCCNC(=S)N 88d050dc7f8cc439d4cb1e618659a841 [0,2,0,0,0,0|1,0,1]=4 11102 B11R0.148 CCCCCOCCOC(=O)C ce892e28021cd219f16b0c1b93f354de [0,2,0,0,0,0|0,0,1]=3 11103 B11R0.148 CCCCCOCCOC(C)C c0241cd648c55745199f114592d8cee7 [0,2,0,0,0,0|0,0,0]=2 11104 B11R0.148 CCCCCOCCOC(F)F 99ce3149aa720696793750b50445d4f9 [0,2,0,0,0,0|1,0,0]=3 11105 B11R0.148 CCCCCOCCSC(=O)C 381130fac5641be83bacac00ee2d726c [0,2,0,0,0,0|0,0,1]=3 11106 B11R0.148 CCCCCOCCSC(C)C c3490c16ca8798be1fd32d8c18b19bab [0,2,0,0,0,0|0,0,0]=2 11107 B11R0.148 CCCCNCCCCC(=O)C 544c9e2e2e33eb4d7d7343bae90cd58e [0,2,0,0,0,0|1,0,0]=3 11108 B11R0.148 CCCCNCCCCC(=O)N 314026e751faa5b11c0ecab80061f9d7 [0,2,0,0,0,0|1,0,1]=4 11109 B11R0.148 CCCCNCCCCC(=O)O db2891a1a49d26c3dd9a356095c13ecb [0,2,0,0,0,0|1,0,1]=4 11110 B11R0.148 CCCCNCCCCC(C)C 1c732e5d1fc6816749b0c146f91075e1 [0,2,0,0,0,0|1,0,0]=3 11111 B11R0.148 CCCCNCCCCC(C)O d25cea83b94c590c11c2a73b0c167344 [0,2,0,0,0,0|1,0,0]=3 11112 B11R0.148 CCCCNCCCCC(F)F e2711bbdb18d5c94914b14d3121d5454 [0,2,0,0,0,0|1,0,0]=3 11113 B11R0.148 CCCCNCCCCN(C)C bff2af05930f9a6d528118d70b9ce386 [0,2,0,0,0,0|1,0,0]=3 11114 B11R0.148 CCCCNCCCC[C@@H](C)O 8b68c1025addda349947f3fed9cd8b0f [0,2,0,0,0,0|1,0,0]=3 11115 B11R0.148 CCCCNCCCNC(=O)C 6d0de7a58670364332bd2c26e8ee7cdd [0,2,0,0,0,0|1,0,1]=4 11116 B11R0.148 CCCCNCCCOC(=O)C 7853525c1345bc50778fe7631411e66c [0,2,0,0,0,0|1,0,1]=4 11117 B11R0.148 CCCCNCCCOC(=S)C 73028220c83de81b0b3e572a11606df7 [0,2,0,0,0,0|1,0,1]=4 11118 B11R0.148 CCCCNCCCOC(C)C 5d532a264840a56b89b1a56a51203826 [0,2,0,0,0,0|1,0,0]=3 11119 B11R0.148 CCCCNCCCOC(F)F ae82ad84306cf5db3936600fd8330d27 [0,2,0,0,0,0|2,0,0]=4 11120 B11R0.148 CCCCNCCCSC(=O)C db939ed2d8d03cfa10c8f82ccb5505ff [0,2,0,0,0,0|1,0,1]=4 11121 B11R0.148 CCCCNCCCSC(C)C 830e2866f833c0787e52ab3d5fdd8f70 [0,2,0,0,0,0|1,0,0]=3 11122 B11R0.148 CCCCNCCOCC(C)C 5fc01cd8401a7a12bb22b6534b323fdc [0,2,0,0,0,0|1,0,0]=3 11123 B11R0.148 CCCCNCCOCC(F)F 48316daffb8455ff411d16cf6b573f00 [0,2,0,0,0,0|2,0,0]=4 11124 B11R0.148 CCCCOCCC=C=C(C)C 3d6e5040a241ac2b60e6d1f3621307e5 [0,2,0,0,0,0|0,0,2]=4 11125 B11R0.148 CCCCOCCCCC(=O)C a62f0819767c2537c037059a9981780c [0,2,0,0,0,0|0,0,0]=2 11126 B11R0.148 CCCCOCCCCC(=O)N cb00e11a7c4db378275f51f63aaca2e7 [0,2,0,0,0,0|0,0,1]=3 11127 B11R0.148 CCCCOCCCCC(=O)O 00e520501e14c3e825ffc7300146a3fe [0,2,0,0,0,0|0,0,1]=3 11128 B11R0.148 CCCCOCCCCC(C)C 1e492fd7051ff99c89865c3fbb9848e2 [0,2,0,0,0,0|0,0,0]=2 11129 B11R0.148 CCCCOCCCCN(C)C 0e9610248df441680a4fc5f7ea14afab [0,2,0,0,0,0|0,0,0]=2 11130 B11R0.148 CCCCOCCCC[N+](=O)[O-] 945fc8d07071bde3444714f6c7856ad4 [0,2,0,0,0,0|1,0,0]=3 11131 B11R0.148 CCCCOCCCNC(=O)C 14281244af5a76ea832226605fbb85e4 [0,2,0,0,0,0|0,0,1]=3 11132 B11R0.148 CCCCOCCCNC(C)C be24f3e51730bf2a1d3254b17a45253c [0,2,0,0,0,0|0,0,0]=2 11133 B11R0.148 CCCCOCCCOC(=O)C 477c462ef377d29beb78f95f82bb25eb [0,2,0,0,0,0|0,0,1]=3 11134 B11R0.148 CCCCOCCCOC(=S)C d7aa2aa09240a85edad907d4be4b954e [0,2,0,0,0,0|0,0,1]=3 11135 B11R0.148 CCCCOCCCOC(C)C 62f253282cb71fb27b7ae7e331b7477f [0,2,0,0,0,0|0,0,0]=2 11136 B11R0.148 CCCCOCCCO[N+](=O)[O-] 05f28463994a4f289ccb5d72e8b43f61 [0,2,0,0,0,0|2,0,0]=4 11137 B11R0.148 CCCCOCCCSC(=O)C 614b19a166ecdbfad1b2d0cb89ad3484 [0,2,0,0,0,0|0,0,1]=3 11138 B11R0.148 CCCCOCCCSC(C)C 33daf7cd7c111a6e93bc3cafba8e57aa [0,2,0,0,0,0|0,0,0]=2 11139 B11R0.148 CCCCOCCNCC(=O)C 223e03f8df314d1ffe7fa22f1e699f9f [0,2,0,0,0,0|0,0,1]=3 11140 B11R0.148 CCCCOCCNCC(=O)N d55758adec6732215d7faa76d4932df2 [0,2,0,0,0,0|1,0,1]=4 11141 B11R0.148 CCCCOCCNCC(=O)O 5e535394d6f535f6322b79b8b1a838be [0,2,0,0,0,0|1,0,1]=4 11142 B11R0.148 CCCCOCCNCC(C)C f900ac3cf749acf7a9648cc6b643bbdf [0,2,0,0,0,0|0,0,0]=2 11143 B11R0.148 CCCCOCCNCC(C)O 21638369de26bd8dcdd1ce22cb7c6542 [0,2,0,0,0,0|0,0,0]=2 11144 B11R0.148 CCCCOCCNCC(F)F 18e45a8ac2a53e67ca21bc46aba7c9ac [0,2,0,0,0,0|1,0,0]=3 11145 B11R0.148 CCCCOCCNCN(C)C 18c4474f584a177db82d7ec98b40ffa6 [0,2,0,0,0,0|1,0,0]=3 11146 B11R0.148 CCCCOCCNC[C@@H](C)O 22110216e6ac6ac22cb317487440a16a [0,2,0,0,0,0|0,0,0]=2 11147 B11R0.148 CCCCOCCNC[C@H](C)O 9b5446281ca28925eafc13772c4e97e0 [0,2,0,0,0,0|0,0,0]=2 11148 B11R0.148 CCCCOCCNC[N+](=O)[O-] bece6fa58b9e933099b8a0b888f7f346 [0,2,0,0,0,0|2,0,0]=4 11149 B11R0.148 CCCCOCCOCC(=O)C a1059fc843b2eaa33e87055a6bc4e6be [0,2,0,0,0,0|0,0,1]=3 11150 B11R0.148 CCCCOCCOCC(=O)N de6114605ae237d4b8297b1463cd7bb3 [0,2,0,0,0,0|1,0,1]=4 11151 B11R0.148 CCCCOCCOCC(=O)O f3952d347bddfc2dfd656d051a77ceb9 [0,2,0,0,0,0|1,0,1]=4 11152 B11R0.148 CCCCOCCOCC(=S)N 6186b5f55e9be995b0a2a036c38ad632 [0,2,0,0,0,0|1,0,1]=4 11153 B11R0.148 CCCCOCCOCC(C)C 5bc69058925797cabf7942443b63928e [0,2,0,0,0,0|0,0,0]=2 11154 B11R0.148 CCCCOCCOCC(C)F 33d58cdb98a277b610b30f3887a906f3 [0,2,0,0,0,0|0,0,0]=2 11155 B11R0.148 CCCCOCCOCC(C)S 04a9838538e25eadb743d754de09f222 [0,2,0,0,0,0|0,0,0]=2 11156 B11R0.148 CCCCOCCOCC(F)F fbaef1e16be519c43ad49a4432af3b45 [0,2,0,0,0,0|1,0,0]=3 11157 B11R0.148 CCCCOCCOCN(C)C f4730268d7fcb2540de58ceaed3a0274 [0,2,0,0,0,0|1,0,0]=3 11158 B11R0.148 CCCCOCCOCS(=O)O 33a2fbe99da1dea6ea5418c41ee40add [0,2,0,0,0,0|2,0,0]=4 11159 B11R0.148 CCCCOCCOC[C@@H](C)F ff20953b20567232b484ae3fd3c2c370 [0,2,0,0,0,0|0,0,0]=2 11160 B11R0.148 CCCCOCCOC[C@H](C)F dfc57d5b18a7e9ecbbd0556bfc91a76d [0,2,0,0,0,0|0,0,0]=2 11161 B11R0.148 CCCCOCCOC[N+](=O)[O-] ebcb308fb830ee97668cfc92b71f433e [0,2,0,0,0,0|2,0,0]=4 11162 B11R0.148 CCCCOCCSCC(=O)N c3e4c14d2608d473c3ff9ff4504d12f1 [0,2,0,0,0,0|1,0,1]=4 11163 B11R0.148 CCCCOCCSCC(C)C 1ca374423b269c3793be941a767760da [0,2,0,0,0,0|0,0,0]=2 11164 B11R0.148 CCCCOCNCC=C(C)C 137018fdbdd6c94164e6db344ad65e4c [0,2,0,0,0,0|0,0,2]=4 11165 B11R0.148 CCCCOCNCCC(=O)N 63106c9421e44307d938df1abc9eec5d [0,2,0,0,0,0|1,0,1]=4 11166 B11R0.148 CCCCOCNCCC(=O)O 59d3523aaed3910cf6d2b55b40981768 [0,2,0,0,0,0|1,0,1]=4 11167 B11R0.148 CCCCOCNCCC(=S)N 65e8aa634c3ef3f77f7b137e5f04c388 [0,2,0,0,0,0|1,0,1]=4 11168 B11R0.148 CCCCOCNCCC(C)C 8bdf283e25309f272900fa44e5b8f006 [0,2,0,0,0,0|0,0,0]=2 11169 B11R0.148 CCCCOCNCCC(C)O 148db482aa009f71727e8341be3f6b11 [0,2,0,0,0,0|0,0,0]=2 11170 B11R0.148 CCCCOCNCCC(F)F e13ea898f753e2b455a0be1057bfc060 [0,2,0,0,0,0|1,0,0]=3 11171 B11R0.148 CCCCOCNCCN(C)C 37fdc1702112085c821fbf94350fc366 [0,2,0,0,0,0|1,0,0]=3 11172 B11R0.148 CCCCOCNCCS(=O)C ffd53be59a1b68f36c155cd13b993a08 [0,2,0,0,0,0|1,0,0]=3 11173 B11R0.148 CCCCOCNCCS(=O)O 922462d2e6d1cea98d0bc53d7075cb06 [0,2,0,0,0,0|2,0,0]=4 11174 B11R0.148 CCCCOCNCC[C@@H](C)O e6c1371cbf0bfa6e9c8730efe0b35016 [0,2,0,0,0,0|0,0,0]=2 11175 B11R0.148 CCCCOCNCC[C@H](C)O 1bad416644b19aecf572e308a0d04d6d [0,2,0,0,0,0|0,0,0]=2 11176 B11R0.148 CCCCOCOC/C=C(/C)\Cl 2a3baa1ec32779e4c7e7e01620c0dd7e [0,2,0,0,0,0|0,0,2]=4 11177 B11R0.148 CCCCOCOC/C=C(/C)\I f4adb03271d90dd1b554166b8687db9b [0,2,0,0,0,0|0,0,2]=4 11178 B11R0.148 CCCCOCOCC=C(C)C a1ea0aea9548ae8905b0ce287bae6814 [0,2,0,0,0,0|0,0,2]=4 11179 B11R0.148 CCCCOCOCC=C(C)I edc781567ecab4347a7deeddff5f0e09 [0,2,0,0,0,0|0,0,2]=4 11180 B11R0.148 CCCCOCOCCC(=O)C 42ce30f9bc9443451f7915bee899e3ba [0,2,0,0,0,0|0,0,1]=3 11181 B11R0.148 CCCCOCOCCC(=O)N 043946ddc364602094f988fa5c5ecd02 [0,2,0,0,0,0|1,0,1]=4 11182 B11R0.148 CCCCOCOCCC(=O)O 1fc55cd284db7eca48e94025d087c373 [0,2,0,0,0,0|1,0,1]=4 11183 B11R0.148 CCCCOCOCCC(C)C 70afb007076813320d9de42f9766d9e9 [0,2,0,0,0,0|0,0,0]=2 11184 B11R0.148 CCCCOCOCCC(F)F 67eacc230a2da2a0c68041d6132c7345 [0,2,0,0,0,0|1,0,0]=3 11185 B11R0.148 CCCCOCOCCN(C)C f2717e984d82c855dbceb2b4bfe4cf44 [0,2,0,0,0,0|1,0,0]=3 11186 B11R0.148 CCCCOCOCCS(=O)C 419b0f625e6b8bfb82d349938b2d67c8 [0,2,0,0,0,0|1,0,0]=3 11187 B11R0.148 CCCCOCOCC[N+](=O)[O-] c04485318a7cf403a534c6f15ed3d5d9 [0,2,0,0,0,0|2,0,0]=4 11188 B11R0.148 CCCCOCOCNC(=O)C fe5611e158193767acd492ee37902052 [0,2,0,0,0,0|1,0,1]=4 11189 B11R0.148 CCCCSCCOCC(C)C f9ca133b6d17694e27e05b8fb6515420 [0,2,0,0,0,0|0,1,0]=3 11190 B11R0.148 CCCCSCCOCC(F)F 99de273df419e1a851e01a08a34ab6c1 [0,2,0,0,0,0|1,1,0]=4 11191 B11R0.148 CCCCSCCOCN(C)C 72ddf51f535521511f63bb168bd25baf [0,2,0,0,0,0|1,1,0]=4 11192 B11R0.148 CCCNCCCCCC(=O)C 354cff2ef02214f278274b1186349715 [0,2,0,0,0,0|1,0,1]=4 11193 B11R0.148 CCCNCCCCCC(C)C eeb48a0dfda96d56a343194a6bdd680b [0,2,0,0,0,0|1,0,0]=3 11194 B11R0.148 CCCNCCCCCC(F)F 1a8aa5fc96eb481f16e40578ac485682 [0,2,0,0,0,0|2,0,0]=4 11195 B11R0.148 CCCNCCCCCN(C)C b721302b37aba097430de1a536c35de0 [0,2,0,0,0,0|2,0,0]=4 11196 B11R0.148 CCCNCCCOCC(C)C 3ef77a86a79498acfe0823eea26b1c94 [0,2,0,0,0,0|2,0,0]=4 11197 B11R0.148 CCCNCCOCCC(=O)O 1f840a8dfeffea9a17d6831074997663 [0,2,0,0,0,0|1,0,1]=4 11198 B11R0.148 CCCNCCOCCN(C)C dba1164bf187cf8824a07cdfc4953bf8 [0,2,0,0,0,0|1,0,0]=3 11199 B11R0.148 CCCNCOCCOC(=O)C d68af067b97b21e6e41f54397a824b04 [0,2,0,0,0,0|1,0,1]=4 11200 B11R0.148 CCCOCCCCCC(=O)C a9dd639cc488907d7b3255974d45f633 [0,2,0,0,0,0|1,0,1]=4 11201 B11R0.148 CCCOCCCCCC(C)C 6a81fc1dfc051a37e19be46130d38b39 [0,2,0,0,0,0|1,0,0]=3 11202 B11R0.148 CCCOCCCCCC(F)F 3d7292bf6884ee763dd1c9a2f551c51f [0,2,0,0,0,0|2,0,0]=4 11203 B11R0.148 CCCOCCCCCN(C)C a52e7152e306b7fd6b3d9d880170c7ed [0,2,0,0,0,0|2,0,0]=4 11204 B11R0.148 CCCOCCCNCC(C)C 5ae198ca5ad04fa5f3d1fa4ba3bedf16 [0,2,0,0,0,0|2,0,0]=4 11205 B11R0.148 CCCOCCCNCC(C)O d6c82e5b454bd2c3c1ef1a72075342a6 [0,2,0,0,0,0|2,0,0]=4 11206 B11R0.148 CCCOCCCNC[C@@H](C)O 6e88951d00154414b61d7211b634d068 [0,2,0,0,0,0|2,0,0]=4 11207 B11R0.148 CCCOCCCNC[C@H](C)O d00db65afbc8acf57f37b1f7276f5c44 [0,2,0,0,0,0|2,0,0]=4 11208 B11R0.148 CCCOCCCOCC(C)C a82f1a209fe27386bca80678830be0a0 [0,2,0,0,0,0|2,0,0]=4 11209 B11R0.148 CCCOCCCOCC(C)F 61298b0f101999d5345fc7de7c587ab8 [0,2,0,0,0,0|2,0,0]=4 11210 B11R0.148 CCCOCCCOCC(C)S cfbebbd795516253c92792bd815b9dd4 [0,2,0,0,0,0|2,0,0]=4 11211 B11R0.148 CCCOCCCOC[C@@H](C)F 0c67479975d1b40f10eb25839e7e18ad [0,2,0,0,0,0|2,0,0]=4 11212 B11R0.148 CCCOCCCOC[C@H](C)F 1d3af9791a115eabac87887255399080 [0,2,0,0,0,0|2,0,0]=4 11213 B11R0.148 CCCOCCCSCC(C)C f78a3dd758211e633af9a4e86b3b3a85 [0,2,0,0,0,0|2,0,0]=4 11214 B11R0.148 CCCOCCNCCC(=O)C 27f26296f1d645079891271267b1fb1b [0,2,0,0,0,0|1,0,1]=4 11215 B11R0.148 CCCOCCNCCC(C)C 25dd2977b1bcce9e6dea27a897372e91 [0,2,0,0,0,0|1,0,0]=3 11216 B11R0.148 CCCOCCNCCC(C)O 9e42e86b2c65219b29026f67ec48a629 [0,2,0,0,0,0|1,0,0]=3 11217 B11R0.148 CCCOCCNCCC(F)F f264b38f3fdbd295aa4ed0f2f2844458 [0,2,0,0,0,0|2,0,0]=4 11218 B11R0.148 CCCOCCNCCN(C)C 0f98bb3e658b220866a9d665c3219a31 [0,2,0,0,0,0|2,0,0]=4 11219 B11R0.148 CCCOCCNCCS(=O)C 4873b7dde81c07f72cc8148db6affdd1 [0,2,0,0,0,0|2,0,0]=4 11220 B11R0.148 CCCOCCNCC[C@@H](C)O 4d6f01ae93be492b4114fb6bd706abf7 [0,2,0,0,0,0|1,0,0]=3 11221 B11R0.148 CCCOCCNCC[C@H](C)O aca507be6d5f70b61f2f0120f005d5dc [0,2,0,0,0,0|1,0,0]=3 11222 B11R0.148 CCCOCCNCOC(C)C 15a111e7aa0803688c6023392c3cc1fc [0,2,0,0,0,0|2,0,0]=4 11223 B11R0.148 CCCOCCOC/C=C(/C)\Cl 2faf7f12327a37677c545c7a5c0c5121 [0,2,0,0,0,0|0,0,2]=4 11224 B11R0.148 CCCOCCOC/C=C(/C)\I 3e9b4cefbf63da996deaac84d68dbf26 [0,2,0,0,0,0|0,0,2]=4 11225 B11R0.148 CCCOCCOC/C=C(\C)/Cl 77939258c7e4c3aeb8c1851c85c99de2 [0,2,0,0,0,0|0,0,2]=4 11226 B11R0.148 CCCOCCOCC=C(C)C 661d8c7dbd7d8db11854ebf8fadf6d7d [0,2,0,0,0,0|0,0,2]=4 11227 B11R0.148 CCCOCCOCC=C(C)Cl 837462c953139b8804829ea4c2449f6d [0,2,0,0,0,0|0,0,2]=4 11228 B11R0.148 CCCOCCOCC=C(C)I 7e8e467f97d0882adb3677f384ebc2bd [0,2,0,0,0,0|0,0,2]=4 11229 B11R0.148 CCCOCCOCCC(=O)C f9360e39798c51853ea8dd13387b8f0a [0,2,0,0,0,0|0,0,1]=3 11230 B11R0.148 CCCOCCOCCC(=O)N 3273f455bae16f946489f0fece6c2b5d [0,2,0,0,0,0|1,0,1]=4 11231 B11R0.148 CCCOCCOCCC(=O)O 481e9c6b14336445a42a64879cba16db [0,2,0,0,0,0|1,0,1]=4 11232 B11R0.148 CCCOCCOCCC(C)C 767abc8dc4af6e2e6f3740f959b4e8f9 [0,2,0,0,0,0|0,0,0]=2 11233 B11R0.148 CCCOCCOCCC(F)F 77ddb3f8e2f288bf11d56abe9c620209 [0,2,0,0,0,0|1,0,0]=3 11234 B11R0.148 CCCOCCOCCN(C)C 858f4b4f2640a38d73797f7e5e974200 [0,2,0,0,0,0|1,0,0]=3 11235 B11R0.148 CCCOCCOCCS(=O)C 6ea139e69464dc6fd81d92e222cbb550 [0,2,0,0,0,0|1,0,0]=3 11236 B11R0.148 CCCOCCOCC[N+](=O)[O-] 1576b8354fbfebe058713b7519f39121 [0,2,0,0,0,0|2,0,0]=4 11237 B11R0.148 CCCOCCOCNC(=O)C b23ae07fb758e79a0e555882eb4a5259 [0,2,0,0,0,0|1,0,1]=4 11238 B11R0.148 CCCOCCOCOC(=O)C b7ccbdf6c032bbd88c5c0f2e9fa4c63c [0,2,0,0,0,0|1,0,1]=4 11239 B11R0.148 CCCOCCOCOC(C)C 5fb5c6a2ca5c4c3f87c0224af2c7e463 [0,2,0,0,0,0|1,0,0]=3 11240 B11R0.148 CCCOCOCCOC(=O)C 5e38b62d62f5ae1c5aa251aa72e942f6 [0,2,0,0,0,0|1,0,1]=4 11241 B11R0.148 CCCSCCCCNC(C)C 53253fb11a8e1c9a0afaa55c1a06ac9c [0,2,0,0,0,0|2,0,0]=4 11242 B11R0.148 CCCSCCOC/C=C(/C)\I a7327be0a8a0cb177ae4ad0f883388f6 [0,2,0,0,0,0|0,0,2]=4 11243 B11R0.148 CCCSCCOC/C=C(\C)/Cl 18dfb85a182cc431a9bf3514748ac220 [0,2,0,0,0,0|0,0,2]=4 11244 B11R0.148 CCCSCCOCC=C(C)C 0b6e5bef7638258ab81ab2d2a8362431 [0,2,0,0,0,0|0,0,2]=4 11245 B11R0.148 CCCSCCOCC=C(C)Cl ae29f7b662608a1bf10be77eac3855fe [0,2,0,0,0,0|0,0,2]=4 11246 B11R0.148 CCCSCCOCC=C(C)I 9b6ea824077b8ee500e3df756ee5a170 [0,2,0,0,0,0|0,0,2]=4 11247 B11R0.148 CCCSCCOCCC(=O)C d89b27589e5966e2907586fbff605623 [0,2,0,0,0,0|0,0,1]=3 11248 B11R0.148 CCCSCCOCCC(=O)N 85b369b81b790676226e5cb1db8ab897 [0,2,0,0,0,0|1,0,1]=4 11249 B11R0.148 CCCSCCOCCC(=O)O 547739abbd1ded8057bcdde3e3594a1e [0,2,0,0,0,0|1,0,1]=4 11250 B11R0.148 CCCSCCOCCC(C)C c04148de964fc8819b4f2f99532d2f51 [0,2,0,0,0,0|0,0,0]=2 11251 B11R0.148 CCCSCCOCCN(C)C 442d8a52e801e624de15c198c55809d7 [0,2,0,0,0,0|1,0,0]=3 11252 B11R0.148 CCCSCCOCCS(=O)C 8b99c2b828314be2223ad8dc9b902f58 [0,2,0,0,0,0|1,0,0]=3 11253 B11R0.148 CCCSCCOCOC(=O)C 2ada1b2d1290f60eded3d0d3e4a3e397 [0,2,0,0,0,0|1,0,1]=4 11254 B11R0.148 CCCSCCOCOC(C)C a2ed9044499e3a39dbb1ba0c2e8d9881 [0,2,0,0,0,0|1,0,0]=3 11255 B11R0.148 CCNCCCCCCC(C)C 5ed601e8bc317c5240d8cdd8cca0d3a5 [0,2,0,0,0,0|1,0,0]=3 11256 B11R0.148 CCNCCCCCCN(C)C c8bbd02c342bc571071aa980e2435837 [0,2,0,0,0,0|2,0,0]=4 11257 B11R0.148 CCNCCCCSCC(C)C bd86d87134b2176474c72794200693d1 [0,2,0,0,0,0|2,0,0]=4 11258 B11R0.148 CCOCCCCCCC(C)C 86a3297b0d267c43a1da48814b1341a5 [0,2,0,0,0,0|1,0,0]=3 11259 B11R0.148 CCOCCCCCCN(C)C 7e663c03bfe94789767a7c590fb2ecf7 [0,2,0,0,0,0|2,0,0]=4 11260 B11R0.148 CCOCCCNCCC(=O)C 46f69c4f1f67e6be60c924b9fca5b953 [0,2,0,0,0,0|1,0,1]=4 11261 B11R0.148 CCOCCCNCCC(C)C 15a79e0a8268d3b44f974e1ca9f2f760 [0,2,0,0,0,0|1,0,0]=3 11262 B11R0.148 CCOCCCNCCC(C)O 7a079affb633d4a4d30ae4d44cb9883c [0,2,0,0,0,0|1,0,0]=3 11263 B11R0.148 CCOCCCNCCC(F)F 1b58a86d16c2d90aefe6e2f99142a663 [0,2,0,0,0,0|2,0,0]=4 11264 B11R0.148 CCOCCCNCCN(C)C 23db57f983d7a297c89ec3daced18d4d [0,2,0,0,0,0|2,0,0]=4 11265 B11R0.148 CCOCCCNCCS(=O)C aa0b4d168bf0e6e6bd10449c35abb418 [0,2,0,0,0,0|2,0,0]=4 11266 B11R0.148 CCOCCCNCC[C@@H](C)O 41e32664e3186fcfdb192342036e224d [0,2,0,0,0,0|1,0,0]=3 11267 B11R0.148 CCOCCCNCC[C@H](C)O 0e0610f832c96608f36c453a600feca0 [0,2,0,0,0,0|1,0,0]=3 11268 B11R0.148 CCOCCCNCOC(C)C 154885d331a5e9bba4aea2d8a1ddb8e7 [0,2,0,0,0,0|2,0,0]=4 11269 B11R0.148 CCOCCCOC/C=C(/C)\Cl 81d3ad8d3e2a31adf0946820a58c1cf4 [0,2,0,0,0,0|0,0,2]=4 11270 B11R0.148 CCOCCCOC/C=C(/C)\I e9b06a0f2fa936722bf996e07cbe6b90 [0,2,0,0,0,0|0,0,2]=4 11271 B11R0.148 CCOCCCOC/C=C(\C)/Cl f7cf0bd7034c439d7ee3b9ce8914ac54 [0,2,0,0,0,0|0,0,2]=4 11272 B11R0.148 CCOCCCOCC=C(C)C 660eba6b62010b2ea0a99535ad7c530d [0,2,0,0,0,0|0,0,2]=4 11273 B11R0.148 CCOCCCOCC=C(C)Cl 80d8e1d0d3373d02322e15ff552bf84a [0,2,0,0,0,0|0,0,2]=4 11274 B11R0.148 CCOCCCOCC=C(C)I 1c6b745c80b298cdde259bbe7cf66e05 [0,2,0,0,0,0|0,0,2]=4 11275 B11R0.148 CCOCCCOCCC(=O)C 4f23c7fb5dd33b6e6621ffd123c50673 [0,2,0,0,0,0|0,0,1]=3 11276 B11R0.148 CCOCCCOCCC(=O)N 1c679141ab0fd8434537f4f151280934 [0,2,0,0,0,0|1,0,1]=4 11277 B11R0.148 CCOCCCOCCC(=O)O 960bfd3fbc61cd9dd8dab5b3be9764c1 [0,2,0,0,0,0|1,0,1]=4 11278 B11R0.148 CCOCCCOCCC(C)C 992f0eb2c5913001c3ac6389f786fd77 [0,2,0,0,0,0|0,0,0]=2 11279 B11R0.148 CCOCCCOCCC(F)F a33acacaba2248ec5bd923817305a5f4 [0,2,0,0,0,0|1,0,0]=3 11280 B11R0.148 CCOCCCOCCN(C)C 460ba88bb3b22336bd76c711ba7428e2 [0,2,0,0,0,0|1,0,0]=3 11281 B11R0.148 CCOCCCOCCS(=O)C 1cd30239f5d47d9c2677389593367e40 [0,2,0,0,0,0|1,0,0]=3 11282 B11R0.148 CCOCCCOCC[N+](=O)[O-] f010918cdc1009966f1d46e98ad6210f [0,2,0,0,0,0|2,0,0]=4 11283 B11R0.148 CCOCCCOCNC(=O)C 522dda690b0caffa68ecc452a6925793 [0,2,0,0,0,0|1,0,1]=4 11284 B11R0.148 CCOCCCOCOC(=O)C b5040ccca1022e3efc3c25720f70e2db [0,2,0,0,0,0|1,0,1]=4 11285 B11R0.148 CCOCCCOCOC(C)C b1407ca9ec19689e201c2ce20e68d242 [0,2,0,0,0,0|1,0,0]=3 11286 B11R0.148 CCOCCNCCCC(=O)C f228f108df37202b13afef73a7689247 [0,2,0,0,0,0|1,0,1]=4 11287 B11R0.148 CCOCCNCCCC(C)C bfe3f47692a5b90adfc2600822907fb4 [0,2,0,0,0,0|1,0,0]=3 11288 B11R0.148 CCOCCNCCCC(C)O f1c4afa02ff802c760d14d637e7d312c [0,2,0,0,0,0|1,0,0]=3 11289 B11R0.148 CCOCCNCCCN(C)C 411b4c6fa10954189aeb64f150d64351 [0,2,0,0,0,0|2,0,0]=4 11290 B11R0.148 CCOCCNCCCS(=O)C d777344ef01a06bdb929427e2ffab303 [0,2,0,0,0,0|2,0,0]=4 11291 B11R0.148 CCOCCNCCOC(C)C 7fec7fc3d71fd51e7d5867a1c72ab9fe [0,2,0,0,0,0|2,0,0]=4 11292 B11R0.148 CCOCCNCCSC(C)C f03773b3529d269674c1aef53326afc9 [0,2,0,0,0,0|2,0,0]=4 11293 B11R0.148 CCOCCOC/C=C/C(C)C c61c3997fc58f7266a5561292fbc4754 [0,2,0,0,0,0|0,0,2]=4 11294 B11R0.148 CCOCCOCCC=C(C)C 73540d3b0eb112e058bab7cad361aeb3 [0,2,0,0,0,0|0,0,2]=4 11295 B11R0.148 CCOCCOCCCC(=O)C 14a18b63593837505b3352d7193ebabc [0,2,0,0,0,0|0,0,1]=3 11296 B11R0.148 CCOCCOCCCC(=O)N 74091c5652e0a13ebc5b5ac563a78c9d [0,2,0,0,0,0|1,0,1]=4 11297 B11R0.148 CCOCCOCCCC(=O)O 7188f19f71415130253b8f1d4ffb2ebe [0,2,0,0,0,0|1,0,1]=4 11298 B11R0.148 CCOCCOCCCC(C)C ee80548e0b69ffeabf8549293f36ee1b [0,2,0,0,0,0|0,0,0]=2 11299 B11R0.148 CCOCCOCCCN(C)C 14649415d830a8e24b413cdb9486b778 [0,2,0,0,0,0|1,0,0]=3 11300 B11R0.148 CCOCCOCCC[N+](=O)[O-] b79e936a8ea8688520a6f9f43e71ea41 [0,2,0,0,0,0|2,0,0]=4 11301 B11R0.148 CCOCCOCCNC(=O)C 7604d74605a4378d41bfd856b682739e [0,2,0,0,0,0|1,0,1]=4 11302 B11R0.148 CCOCCOCCNC(C)C 776ff3d92cb43a4cb9e6ac9184ba295f [0,2,0,0,0,0|1,0,0]=3 11303 B11R0.148 CCOCCOCCOC(=O)C dce5b9d243cb4f2475003dba8acbf87a [0,2,0,0,0,0|1,0,1]=4 11304 B11R0.148 CCOCCOCCOC(C)C 59e619728c250c026338d7d9be6c3e2f [0,2,0,0,0,0|1,0,0]=3 11305 B11R0.148 CCOCCOCCOC(F)F 35f252310d65bb00499522901637b3ef [0,2,0,0,0,0|2,0,0]=4 11306 B11R0.148 CCOCCOCCSC(=O)C 2b905d6662f2c05e631a9f212ca9a0e8 [0,2,0,0,0,0|1,0,1]=4 11307 B11R0.148 CCOCCOCCSC(C)C d790cd375a7cfb2aacf8204e3b131468 [0,2,0,0,0,0|1,0,0]=3 11308 B11R0.148 CCOCNCCCCC(F)F 68528bcbbbd19ab72127a547ca384e34 [0,2,0,0,0,0|2,0,0]=4 11309 B11R0.148 CCOCNCCCCN(C)C 5f42a72639c4a950bedcf3b1b9b92f32 [0,2,0,0,0,0|2,0,0]=4 11310 B11R0.148 CCOCNCCCOC(C)C 8f67d92208fc47993c294f9f8b096aba [0,2,0,0,0,0|2,0,0]=4 11311 B11R0.148 CCOCNCCCSC(C)C 92e996a6f93e7beb693a325f6eb661fa [0,2,0,0,0,0|2,0,0]=4 11312 B11R0.148 CCOCOCCCCC(=O)C 494c300c93d7879b4e62627be935996c [0,2,0,0,0,0|1,0,0]=3 11313 B11R0.148 CCOCOCCCCC(=O)N 9b034d7ab95e332aa1d84237ca556e4d [0,2,0,0,0,0|1,0,1]=4 11314 B11R0.148 CCOCOCCCCC(C)C 57f453210c8d0ec0d94c7bb57830e1f8 [0,2,0,0,0,0|1,0,0]=3 11315 B11R0.148 CCOCOCCCCN(C)C 5e4ac6252e213efcbb184225c51eceea [0,2,0,0,0,0|1,0,0]=3 11316 B11R0.148 CCOCOCCCC[N+](=O)[O-] 6551f2c5713825cdc985a8190bb1d940 [0,2,0,0,0,0|2,0,0]=4 11317 B11R0.148 CCOCOCCCNC(=O)C c04c82b9564ab786b1ac9ab7031322a1 [0,2,0,0,0,0|1,0,1]=4 11318 B11R0.148 CCOCOCCCOC(=O)C 766e50fafcc41d74ca1225e1aae414ec [0,2,0,0,0,0|1,0,1]=4 11319 B11R0.148 CCOCOCCCOC(C)C f568958620d3bbbd8c57805ffc6f4ab9 [0,2,0,0,0,0|1,0,0]=3 11320 B11R0.148 CCOCOCCCSC(=O)C 237da1e66471b17bbf1fe6e629c698ce [0,2,0,0,0,0|1,0,1]=4 11321 B11R0.148 CCOCOCCCSC(C)C 416d0e9cf423f90d21111e80fe619f26 [0,2,0,0,0,0|1,0,0]=3 11322 B11R0.148 CCOCOCCOCC(C)C a1cc1538505e6e7d3665c74a39580aaf [0,2,0,0,0,0|1,0,0]=3 11323 B11R0.148 CCOCOCCOCC(F)F 57a749d74f4561e28b6b002e8aded36b [0,2,0,0,0,0|2,0,0]=4 11324 B11R0.148 CCOCOCCSCC(C)C 7aa9c9d980fb701d7a80e8d9a0eec64c [0,2,0,0,0,0|1,0,0]=3 11325 B11R0.148 CCSCCCCNCC(C)C fbb9b4544061c0f4fa661102e9d07f9b [0,2,0,0,0,0|2,0,0]=4 11326 B11R0.148 CCSCCCCNCC(C)O 7c3aa50bf4e6e962762981b5339b92ac [0,2,0,0,0,0|2,0,0]=4 11327 B11R0.148 CCSCCCCNC[C@@H](C)O 4f3d3b7cfb78207e6d5945de564823ab [0,2,0,0,0,0|2,0,0]=4 11328 B11R0.148 CCSCCCCNC[C@H](C)O 3bfac6a94d832caf268f359b97cd65af [0,2,0,0,0,0|2,0,0]=4 11329 B11R0.148 CCSCCCNCCC(C)C b69cd444b7de582e2c5b5840845e0cff [0,2,0,0,0,0|1,0,0]=3 11330 B11R0.148 CCSCCCNCCC(C)O 9937322b8870d6b84770f258dc11e61f [0,2,0,0,0,0|1,0,0]=3 11331 B11R0.148 CCSCCCNCCC(F)F 24402fbea43f93acadde45fb4315a748 [0,2,0,0,0,0|2,0,0]=4 11332 B11R0.148 CCSCCCNCCN(C)C fa9b6d814bc9a58c36962246b1439d05 [0,2,0,0,0,0|2,0,0]=4 11333 B11R0.148 CCSCCCNCC[C@@H](C)O 673513fce6bf6802e1369b196758fe4a [0,2,0,0,0,0|1,0,0]=3 11334 B11R0.148 CCSCCCNCC[C@H](C)O f83a5da81c822d34f544e69e34cac1c2 [0,2,0,0,0,0|1,0,0]=3 11335 B11R0.148 CCSCCCOC/C=C(/C)\Cl e8a4ae7056b49a81fc81044de5f9a2af [0,2,0,0,0,0|0,0,2]=4 11336 B11R0.148 CCSCCCOC/C=C(/C)\I eb84154c3c55995ae1b695918f83a9cf [0,2,0,0,0,0|0,0,2]=4 11337 B11R0.148 CCSCCCOC/C=C(\C)/Cl 279a178876cd1865e352b3c33e7e77e4 [0,2,0,0,0,0|0,0,2]=4 11338 B11R0.148 CCSCCCOCC=C(C)C b4b2d1a8215e5566be179ce58992e445 [0,2,0,0,0,0|0,0,2]=4 11339 B11R0.148 CCSCCCOCC=C(C)Cl 107b551b8415fa257d8790c8595f676e [0,2,0,0,0,0|0,0,2]=4 11340 B11R0.148 CCSCCCOCC=C(C)I 503be92c5811cc814418d17eeec7cc7d [0,2,0,0,0,0|0,0,2]=4 11341 B11R0.148 CCSCCCOCCC(=O)C c42589189df812f9b05f572e4305064f [0,2,0,0,0,0|0,0,1]=3 11342 B11R0.148 CCSCCCOCCC(=O)N 5a0250c5bcfc2bc0c92b12d3be1e42d2 [0,2,0,0,0,0|1,0,1]=4 11343 B11R0.148 CCSCCCOCCC(=O)O 295ed2aed1a2219fd17360210752fa06 [0,2,0,0,0,0|1,0,1]=4 11344 B11R0.148 CCSCCCOCCC(C)C fba8234ea6757258fbc8a7169452da15 [0,2,0,0,0,0|0,0,0]=2 11345 B11R0.148 CCSCCCOCCC(F)F 3111356f5a92791412e9b4745606d3db [0,2,0,0,0,0|1,0,0]=3 11346 B11R0.148 CCSCCCOCCN(C)C 3500246da518c09ac64365bcb57fe31c [0,2,0,0,0,0|1,0,0]=3 11347 B11R0.148 CCSCCCOCCS(=O)C 9c9aa753dcea3c9876d2be814fa96abc [0,2,0,0,0,0|1,0,0]=3 11348 B11R0.148 CCSCCCOCC[N+](=O)[O-] 8f0c29276bca81a540e0ce510ce47a75 [0,2,0,0,0,0|2,0,0]=4 11349 B11R0.148 CCSCCCOCNC(=O)C 488acf984bf74a6c4bb52c3419cc089a [0,2,0,0,0,0|1,0,1]=4 11350 B11R0.148 CCSCCCOCOC(=O)C ba4795a4719fa7e8535dda869fce2e20 [0,2,0,0,0,0|1,0,1]=4 11351 B11R0.148 CCSCCCOCOC(C)C e6b89a25b4ac0566b8b947198f32d926 [0,2,0,0,0,0|1,0,0]=3 11352 B11R0.148 CCSCCNCCCC(=O)C 064a7ffcceb38b9394777322ebb69ec8 [0,2,0,0,0,0|1,0,1]=4 11353 B11R0.148 CCSCCNCCCC(C)C 560b7371052a65b699867671123debf2 [0,2,0,0,0,0|1,0,0]=3 11354 B11R0.148 CCSCCNCCCC(C)O e6c13131ad4eb421f5fc9a0f72f7aa78 [0,2,0,0,0,0|1,0,0]=3 11355 B11R0.148 CCSCCNCCCN(C)C 7b25c361bb0f19347990794e0e003c26 [0,2,0,0,0,0|2,0,0]=4 11356 B11R0.148 CCSCCNCCOC(C)C ad63c13e3b92c9ce31f1ad0ec7947dc2 [0,2,0,0,0,0|2,0,0]=4 11357 B11R0.148 CCSCCNCCSC(C)C a553dc3fa2a6b7858de168f4463eb2e4 [0,2,0,0,0,0|2,0,0]=4 11358 B11R0.148 CCSCCOC/C=C/C(C)C 3e2dc9563c5deb1847d8485882e9d8ee [0,2,0,0,0,0|0,0,2]=4 11359 B11R0.148 CCSCCOCCC=C(C)C fecf1e1c56922df0c0afd3ebd8d9d000 [0,2,0,0,0,0|0,0,2]=4 11360 B11R0.148 CCSCCOCCCC(=O)C 8f4393f530065181ad15e664abafcbb1 [0,2,0,0,0,0|0,0,1]=3 11361 B11R0.148 CCSCCOCCCC(=O)N de563f12805ec0ab75c1fb290e126e02 [0,2,0,0,0,0|1,0,1]=4 11362 B11R0.148 CCSCCOCCCC(=O)O be81c63483d7f62e89bb00d9826e624f [0,2,0,0,0,0|1,0,1]=4 11363 B11R0.148 CCSCCOCCCC(C)C b151b4bd1bae8dd7ec84ff49cd35f4f5 [0,2,0,0,0,0|0,0,0]=2 11364 B11R0.148 CCSCCOCCCN(C)C 7cb17c9d84ec49080bb1795c2835f8c7 [0,2,0,0,0,0|1,0,0]=3 11365 B11R0.148 CCSCCOCCC[N+](=O)[O-] ff681eca5c595410dd3223a58060c380 [0,2,0,0,0,0|2,0,0]=4 11366 B11R0.148 CCSCCOCCNC(=O)C 11aafb3a03558d452f0d6522813f7536 [0,2,0,0,0,0|1,0,1]=4 11367 B11R0.148 CCSCCOCCOC(=O)C f34f32bb6deb83015d59a8fbed3f2f18 [0,2,0,0,0,0|1,0,1]=4 11368 B11R0.148 CCSCCOCCOC(C)C eed7110c8e062fd648ba3272fcd302be [0,2,0,0,0,0|1,0,0]=3 11369 B11R0.148 CCSCCOCCOC(F)F 922bd7a95e01f5b0ed73b6566d1aaa1c [0,2,0,0,0,0|2,0,0]=4 11370 B11R0.148 CCSCCOCCSC(=O)C e023d1ac61e3852d1c61c248a7150dfe [0,2,0,0,0,0|1,0,1]=4 11371 B11R0.148 CCSCCOCCSC(C)C 8a26a8cd1488678402db60dc6b1eefea [0,2,0,0,0,0|1,0,0]=3 11372 B11R0.148 CN(C)CCCCNCCCCl 052126e744168af67efcc78a81f0b404 [0,2,0,0,0,0|2,0,0]=4 11373 B11R0.148 CN(C)CCCCNCCCF 970ef289e3b53ff6e8b027be9d8d4d5f [0,2,0,0,0,0|2,0,0]=4 11374 B11R0.148 CN(C)CCCCNCCCO 14c2cb4fefb88f693e4cae2943644dbd [0,2,0,0,0,0|2,0,0]=4 11375 B11R0.148 CN(C)CCCCNCCCS 4115a055f701862e8c53630f9071ed09 [0,2,0,0,0,0|2,0,0]=4 11376 B11R0.148 CN(C)CCCCOCCC#N 948ad05b87e99cc7622e515968d3336d [0,2,0,0,0,0|1,0,1]=4 11377 B11R0.148 CN(C)CCCCOCCC=O f43aa80830a7e550a248b952e6662b6c [0,2,0,0,0,0|1,0,1]=4 11378 B11R0.148 CN(C)CCCCOCCCF 44429b9889506d83ccd3f5bc4233cfe2 [0,2,0,0,0,0|1,0,0]=3 11379 B11R0.148 CN(C)CCCCOCCCS 89bcbc8711b61d17e85b4a1f5297e96e [0,2,0,0,0,0|1,0,0]=3 11380 B11R0.148 CN(C)CCCNCCCCCl e29c3465791a62c369edf84a42000c29 [0,2,0,0,0,0|2,0,0]=4 11381 B11R0.148 CN(C)CCCNCCCCF c39c5d2f00d5025a8b1cd5870a8250c7 [0,2,0,0,0,0|2,0,0]=4 11382 B11R0.148 CN(C)CCCNCCCCO b73478c1fd3c4a2e4d2bd264d2f10aa7 [0,2,0,0,0,0|2,0,0]=4 11383 B11R0.148 CN(C)CCCNCCCCS d0f20a5e2a3b94b6967f427506bd9b4e [0,2,0,0,0,0|2,0,0]=4 11384 B11R0.148 CN(C)CCCOCCCC#N 1a8bcee84dca764d11106f89ac6736fb [0,2,0,0,0,0|1,0,1]=4 11385 B11R0.148 CN(C)CCCOCCCC=O 78fb5276eb281ced2089c7ab3beac49a [0,2,0,0,0,0|1,0,1]=4 11386 B11R0.148 CN(C)CCCOCCCCF 82524cf901c44060f57ab95a02e1f801 [0,2,0,0,0,0|1,0,0]=3 11387 B11R0.148 CN(C)CCCOCCCCS d01da6df79fe856a5762eb3ed4cc096f [0,2,0,0,0,0|1,0,0]=3 11388 B11R0.148 CN(C)CCNCCCCCCl 6c9cdb084cf8a863744c86bbf2158e9c [0,2,0,0,0,0|2,0,0]=4 11389 B11R0.148 CN(C)CCNCCCCCF 05962eb8478256b48b580dfa0c030ad0 [0,2,0,0,0,0|2,0,0]=4 11390 B11R0.148 CN(C)CCNCCCCCO f20ddf25cf23ca04183fe5465693ddc3 [0,2,0,0,0,0|2,0,0]=4 11391 B11R0.148 CN(C)CCOCCCCC#N 1ae5baa617c9434e0dfc2a438fd1f07c [0,2,0,0,0,0|1,0,1]=4 11392 B11R0.148 CN(C)CCOCCCCC=O 052497daac0312eae9312c9458ff4106 [0,2,0,0,0,0|1,0,1]=4 11393 B11R0.148 CN(C)CCOCCCCCF 43942febedf8d972e9345a9d23449a75 [0,2,0,0,0,0|1,0,0]=3 11394 B11R0.148 CN(C)CCOCCNCCF e395d45076a334cdc4f7072d6db92749 [0,2,0,0,0,0|2,0,0]=4 11395 B11R0.148 CN(C)CCOCCNCCO 44b052d156b1a03e6c71c256e83d6105 [0,2,0,0,0,0|2,0,0]=4 11396 B11R0.148 CN(C)CCOCCNCCS eaa9098a777287dcc49a744f96824510 [0,2,0,0,0,0|2,0,0]=4 11397 B11R0.148 CN(C)CCOCCOCCF f472d320dddef74f064d8d5bd5369fab [0,2,0,0,0,0|2,0,0]=4 11398 B11R0.148 CN(C)CCOCCOCCS cd845a69bd01a44861ae49a6b73a49b2 [0,2,0,0,0,0|2,0,0]=4 11399 B11R0.148 CN(C)CNCCOCCCO 656052cddfa6715efc785115712fd068 [0,2,0,0,0,0|2,0,0]=4 11400 B11R0.148 COCC#CCOCCC(C)C 5f149f1b7db285c619586a3f8b21f112 [0,2,0,0,0,0|0,0,2]=4 11401 B11R0.148 COCCCCCCOC(C)C 53aff5b0fa69fbc4868798122d4a89e3 [0,2,0,0,0,0|2,0,0]=4 11402 B11R0.148 COCCCCCNCC(C)C 6a65251e6a13c60359b0d0345cdbd709 [0,2,0,0,0,0|2,0,0]=4 11403 B11R0.148 COCCCCCNCC(C)O 67657b02b2065cfa1827ce4c8181a02e [0,2,0,0,0,0|2,0,0]=4 11404 B11R0.148 COCCCCCNC[C@@H](C)O 8063e074c1d5e4b68738c6548127369c [0,2,0,0,0,0|2,0,0]=4 11405 B11R0.148 COCCCCCNC[C@H](C)O c8f034cd60e63c96f70e07490a8b848c [0,2,0,0,0,0|2,0,0]=4 11406 B11R0.148 COCCCCCOCC(C)C e1c12515bec6a10050fa567dea619b05 [0,2,0,0,0,0|2,0,0]=4 11407 B11R0.148 COCCCCCOCC(C)F eb2546ec2d324c0d3328ce010df636de [0,2,0,0,0,0|2,0,0]=4 11408 B11R0.148 COCCCCCOCC(C)S cc8bdb8ce2ca138f1916a66f8429aaf3 [0,2,0,0,0,0|2,0,0]=4 11409 B11R0.148 COCCCCCOC[C@@H](C)F 8fff72f8b9ff7ad00456a26b315dbf18 [0,2,0,0,0,0|2,0,0]=4 11410 B11R0.148 COCCCCCOC[C@H](C)F 1e37e563bb6a5520174f6b454e9721f5 [0,2,0,0,0,0|2,0,0]=4 11411 B11R0.148 COCCCCNCCC(=O)C 99d64fad0e8afbca73c8d652d21bae31 [0,2,0,0,0,0|1,0,1]=4 11412 B11R0.148 COCCCCNCCC(C)C 252d2964675e9fd09faa0d2a0e15ddea [0,2,0,0,0,0|1,0,0]=3 11413 B11R0.148 COCCCCNCCC(C)O cff87372cb5ce90ec34d6c8f1b3b4ffa [0,2,0,0,0,0|1,0,0]=3 11414 B11R0.148 COCCCCNCCC(F)F 2b696a1fc72ee0c77b79b2d7757edf2c [0,2,0,0,0,0|2,0,0]=4 11415 B11R0.148 COCCCCNCCN(C)C 9f49ec5fe80081c970e8a09f01564525 [0,2,0,0,0,0|2,0,0]=4 11416 B11R0.148 COCCCCNCCS(=O)C 01100a3c56b4407a67a8f49a6ca051f6 [0,2,0,0,0,0|2,0,0]=4 11417 B11R0.148 COCCCCNCC[C@@H](C)O b20c29a511e2696352a2b4afeee4b6c1 [0,2,0,0,0,0|1,0,0]=3 11418 B11R0.148 COCCCCNCC[C@H](C)O 8377f07ca1a0f446a17f7ab401b962ee [0,2,0,0,0,0|1,0,0]=3 11419 B11R0.148 COCCCCNCOC(C)C 522dcbc555ab3065fd5b5fc31d378fb4 [0,2,0,0,0,0|2,0,0]=4 11420 B11R0.148 COCCCCOC/C=C(/C)\Cl 15370ee841feb8b0fa28ceb76df999f2 [0,2,0,0,0,0|0,0,2]=4 11421 B11R0.148 COCCCCOC/C=C(/C)\I 327518876bb5b3e30bef44689aa3f7b1 [0,2,0,0,0,0|0,0,2]=4 11422 B11R0.148 COCCCCOC/C=C(\C)/Cl 18ce242655456ee0b76c2fd84ef54cd6 [0,2,0,0,0,0|0,0,2]=4 11423 B11R0.148 COCCCCOCC=C(C)C 7b848bb3e4bc970a14885aa0b66c6bb6 [0,2,0,0,0,0|0,0,2]=4 11424 B11R0.148 COCCCCOCC=C(C)Cl cf9a5113a7439ab76e5a882136eb5be8 [0,2,0,0,0,0|0,0,2]=4 11425 B11R0.148 COCCCCOCC=C(C)I e5b0a5a54a3c897ab3cc5d7c22368b57 [0,2,0,0,0,0|0,0,2]=4 11426 B11R0.148 COCCCCOCCC(=O)C f1c810eb131cc0cf69e918163bd7c135 [0,2,0,0,0,0|0,0,1]=3 11427 B11R0.148 COCCCCOCCC(=O)N 5fb1bb369e75aaf8f9cefa645aa9df3c [0,2,0,0,0,0|1,0,1]=4 11428 B11R0.148 COCCCCOCCC(=O)O a9a7f1dd96d065141ddf56bc5e4dadb6 [0,2,0,0,0,0|1,0,1]=4 11429 B11R0.148 COCCCCOCCC(C)C 3eff51dac8b1c7858845964b3f2867d8 [0,2,0,0,0,0|0,0,0]=2 11430 B11R0.148 COCCCCOCCC(F)F bdf7d44d1542f8714ea34d606f162d8c [0,2,0,0,0,0|1,0,0]=3 11431 B11R0.148 COCCCCOCCN(C)C 70ebb73ee3dfffbb7188d53e1c60bf91 [0,2,0,0,0,0|1,0,0]=3 11432 B11R0.148 COCCCCOCCS(=O)C 3f5ee43394d09ac425b5e5e4827d415e [0,2,0,0,0,0|1,0,0]=3 11433 B11R0.148 COCCCCOCC[N+](=O)[O-] cbb22d75c86d26f9ba20fff94aeea6c5 [0,2,0,0,0,0|2,0,0]=4 11434 B11R0.148 COCCCCOCNC(=O)C 621807ba34baa7dc8338a762404f5b32 [0,2,0,0,0,0|1,0,1]=4 11435 B11R0.148 COCCCCOCOC(=O)C b8c949ce509c96fab217fd6ac0a7706a [0,2,0,0,0,0|1,0,1]=4 11436 B11R0.148 COCCCCOCOC(C)C 14b4201c9c9f2462f1366208053a1e00 [0,2,0,0,0,0|1,0,0]=3 11437 B11R0.148 COCCCNCCCC(=O)C 4ccb1c720ecdf7e33d7132d28dd2a288 [0,2,0,0,0,0|1,0,1]=4 11438 B11R0.148 COCCCNCCCC(C)C 612019172d548f89e3d496ce161107ea [0,2,0,0,0,0|1,0,0]=3 11439 B11R0.148 COCCCNCCCC(C)O e82510b018bd3b6724a60d7dd9a8b04d [0,2,0,0,0,0|1,0,0]=3 11440 B11R0.148 COCCCNCCCN(C)C aab2b49c885764ea019f3ed6601bc1a5 [0,2,0,0,0,0|2,0,0]=4 11441 B11R0.148 COCCCNCCCS(=O)C 05bb3bf5e3fd558971ca7a045248c170 [0,2,0,0,0,0|2,0,0]=4 11442 B11R0.148 COCCCNCCOC(C)C 26f9c682edd46d4daa4d0b5fd7355529 [0,2,0,0,0,0|2,0,0]=4 11443 B11R0.148 COCCCNCCSC(C)C 06ed8bf504f360b6c936abe1656b72e6 [0,2,0,0,0,0|2,0,0]=4 11444 B11R0.148 COCCCOC/C=C/C(C)C efff52b34664c2c7b51dcd9d17a76925 [0,2,0,0,0,0|0,0,2]=4 11445 B11R0.148 COCCCOCCC=C(C)C 75cd562fb03012a6cb3d006175df16de [0,2,0,0,0,0|0,0,2]=4 11446 B11R0.148 COCCCOCCCC(=O)C 87d421651be24118b98fa50f3606c492 [0,2,0,0,0,0|0,0,1]=3 11447 B11R0.148 COCCCOCCCC(=O)N 570bc79fbc9673c05caf76b7272e29d2 [0,2,0,0,0,0|1,0,1]=4 11448 B11R0.148 COCCCOCCCC(=O)O 49621db20500d04702119d17ede7109b [0,2,0,0,0,0|1,0,1]=4 11449 B11R0.148 COCCCOCCCC(C)C 9aea44b08585a2dd6dfb4709a2cc4a4b [0,2,0,0,0,0|0,0,0]=2 11450 B11R0.148 COCCCOCCCN(C)C 318500250ebd343737cbf6378be99323 [0,2,0,0,0,0|1,0,0]=3 11451 B11R0.148 COCCCOCCC[N+](=O)[O-] a8bf480117b7b86759d09e767db09697 [0,2,0,0,0,0|2,0,0]=4 11452 B11R0.148 COCCCOCCNC(=O)C facbc361869cdc81ccaebc94ea2d0864 [0,2,0,0,0,0|1,0,1]=4 11453 B11R0.148 COCCCOCCOC(=O)C 1e478fb35f0795b507776209452aab42 [0,2,0,0,0,0|1,0,1]=4 11454 B11R0.148 COCCCOCCOC(C)C 0eca6d60bcfc71d6d84c83d84cbecdc5 [0,2,0,0,0,0|1,0,0]=3 11455 B11R0.148 COCCCOCCOC(F)F 3f2939664ba95ec4849f14f8f1c388a6 [0,2,0,0,0,0|2,0,0]=4 11456 B11R0.148 COCCCOCCSC(=O)C c611948d98170be4cbfb6850533fdb2f [0,2,0,0,0,0|1,0,1]=4 11457 B11R0.148 COCCCOCCSC(C)C a5001763fa377d08ce8d17e0b6dd8be4 [0,2,0,0,0,0|1,0,0]=3 11458 B11R0.148 COCCNCCCCC(=O)C 5c740e29f6604eaf8ea19cb01cba1f89 [0,2,0,0,0,0|2,0,0]=4 11459 B11R0.148 COCCNCCCCC(C)C 01f96fc2e6a55a0b3a74dbea50284196 [0,2,0,0,0,0|2,0,0]=4 11460 B11R0.148 COCCNCCCCC(C)O d7e529905c1e8c926b9971b6a2056c04 [0,2,0,0,0,0|2,0,0]=4 11461 B11R0.148 COCCNCCCCC(F)F 4716fc1501f77fe20f0c6a594c647e86 [0,2,0,0,0,0|2,0,0]=4 11462 B11R0.148 COCCNCCCCN(C)C 3ce50f4156456c1e6137d36dce2e1fa7 [0,2,0,0,0,0|2,0,0]=4 11463 B11R0.148 COCCNCCCC[C@@H](C)O e0146f541928e12747a321e45778da6a [0,2,0,0,0,0|2,0,0]=4 11464 B11R0.148 COCCNCCCOC(C)C e0ba7df3dd356c01e86b06a7754116e7 [0,2,0,0,0,0|2,0,0]=4 11465 B11R0.148 COCCNCCCSC(C)C 9e58721e66878ccb31fed27c2f33d0c8 [0,2,0,0,0,0|2,0,0]=4 11466 B11R0.148 COCCNCCOCC(C)C e78dd8656d880c3cffed4760719bef44 [0,2,0,0,0,0|2,0,0]=4 11467 B11R0.148 COCCOCCCCC(=O)C e1bd35f3a7437c78a11075e0c6413b43 [0,2,0,0,0,0|1,0,0]=3 11468 B11R0.148 COCCOCCCCC(=O)N 2ba56663b33293fd90334bbc3ce2783c [0,2,0,0,0,0|1,0,1]=4 11469 B11R0.148 COCCOCCCCC(=O)O 1bfe81f974cd55b00acd5b66b8e21fb5 [0,2,0,0,0,0|1,0,1]=4 11470 B11R0.148 COCCOCCCCC(C)C 3f48677c33098e09bb5c54bc04c7d8bb [0,2,0,0,0,0|1,0,0]=3 11471 B11R0.148 COCCOCCCCN(C)C 63e1d26f53f8db7aaa5784ecc7e071de [0,2,0,0,0,0|1,0,0]=3 11472 B11R0.148 COCCOCCCC[N+](=O)[O-] 5eedb93d6f2527cd5d2620622d65e313 [0,2,0,0,0,0|2,0,0]=4 11473 B11R0.148 COCCOCCCNC(=O)C f9ee75c92d5cd148f854f328d5324833 [0,2,0,0,0,0|1,0,1]=4 11474 B11R0.148 COCCOCCCNC(C)C 4023b22572d14e00e3ca695d35b0886f [0,2,0,0,0,0|1,0,0]=3 11475 B11R0.148 COCCOCCCOC(=O)C 250a651527a6003df2c5e2ab8a7f9b6a [0,2,0,0,0,0|1,0,1]=4 11476 B11R0.148 COCCOCCCOC(=S)C 6b23e9b951d9e306a4bd5a76e6d27084 [0,2,0,0,0,0|1,0,1]=4 11477 B11R0.148 COCCOCCCOC(C)C 5c58cb31361ebb0813e7dd56ef2acebd [0,2,0,0,0,0|1,0,0]=3 11478 B11R0.148 COCCOCCCSC(=O)C d4e547df7110735ced40ba4178efd15e [0,2,0,0,0,0|1,0,1]=4 11479 B11R0.148 COCCOCCCSC(C)C e28cd67cee0f320aa0fc6a080b8e40d5 [0,2,0,0,0,0|1,0,0]=3 11480 B11R0.148 COCCOCCNCC(=O)C e2b13aa960366926172d36f59def4c42 [0,2,0,0,0,0|1,0,1]=4 11481 B11R0.148 COCCOCCNCC(C)C f4c0e579c571454a41fc46493295f646 [0,2,0,0,0,0|1,0,0]=3 11482 B11R0.148 COCCOCCNCC(C)O d625820e7470c7666ea38b5234ef5be8 [0,2,0,0,0,0|1,0,0]=3 11483 B11R0.148 COCCOCCNCC(F)F 12f619488a26dc052678bee7c8971458 [0,2,0,0,0,0|2,0,0]=4 11484 B11R0.148 COCCOCCNCN(C)C e4bb00f9dd2890b02a504386e2d2dcf8 [0,2,0,0,0,0|2,0,0]=4 11485 B11R0.148 COCCOCCNC[C@@H](C)O 93264b244439206fe1be975f6f69592c [0,2,0,0,0,0|1,0,0]=3 11486 B11R0.148 COCCOCCNC[C@H](C)O 9c6aa2d8a08cda81f6083b00a31055ba [0,2,0,0,0,0|1,0,0]=3 11487 B11R0.148 COCCOCCOCC(=O)C 79e4e21a801fa413b2aef56b8645b4c2 [0,2,0,0,0,0|1,0,1]=4 11488 B11R0.148 COCCOCCOCC(C)C 6464ccff5622adf0f1f75471f0efcf9a [0,2,0,0,0,0|1,0,0]=3 11489 B11R0.148 COCCOCCOCC(C)F ffeece6c020a4ad3b4cc216f03f72172 [0,2,0,0,0,0|1,0,0]=3 11490 B11R0.148 COCCOCCOCC(C)S 75f37ca4a61f0c7e6337e513bab74918 [0,2,0,0,0,0|1,0,0]=3 11491 B11R0.148 COCCOCCOCC(F)F c9ad70a1a2f5bcd1530da04a785cd100 [0,2,0,0,0,0|2,0,0]=4 11492 B11R0.148 COCCOCCOCN(C)C 7b8ecb0f21a80ea2e3374cbae98e67d6 [0,2,0,0,0,0|2,0,0]=4 11493 B11R0.148 COCCOCCOC[C@@H](C)F 1da87fe53f0d11361de309d8be0b0c08 [0,2,0,0,0,0|1,0,0]=3 11494 B11R0.148 COCCOCCOC[C@H](C)F 78e9e4161c4ba5aa39232bec3b7cd269 [0,2,0,0,0,0|1,0,0]=3 11495 B11R0.148 COCCOCCSCC(C)C 1cd507e2bc62ab8c30e59beba4e02e7c [0,2,0,0,0,0|1,0,0]=3 11496 B11R0.148 COCCOCNCCC(C)C d85c5454adae1c62c9bf9df1e1042379 [0,2,0,0,0,0|1,0,0]=3 11497 B11R0.148 COCCOCNCCC(C)O 683072bc263ac688d18f022debe0ebb4 [0,2,0,0,0,0|1,0,0]=3 11498 B11R0.148 COCCOCNCCC(F)F 7c4a20639ab3452cfc3e91b9e495c1ad [0,2,0,0,0,0|2,0,0]=4 11499 B11R0.148 COCCOCNCCN(C)C ee180f970ff786b4b75bab8f1c1e2df6 [0,2,0,0,0,0|2,0,0]=4 11500 B11R0.148 COCCOCNCCS(=O)C 11b0298908e1e2f475cf3d5d6a48dfc3 [0,2,0,0,0,0|2,0,0]=4 11501 B11R0.148 COCCOCNCC[C@@H](C)O 5e119d3d025b6b054bfb7990c54d23c0 [0,2,0,0,0,0|1,0,0]=3 11502 B11R0.148 COCCOCNCC[C@H](C)O 921acd63e20adecd46e421ca2fbc54cc [0,2,0,0,0,0|1,0,0]=3 11503 B11R0.148 COCCOCOCCC(=O)C 02405d31917fb2ad2a69caba85148fc0 [0,2,0,0,0,0|1,0,1]=4 11504 B11R0.148 COCCOCOCCC(C)C e4151472154392793c823b76b38e767b [0,2,0,0,0,0|1,0,0]=3 11505 B11R0.148 COCCOCOCCC(F)F 36150e6116f101c66141f202d4f4e2ab [0,2,0,0,0,0|2,0,0]=4 11506 B11R0.148 COCCOCOCCN(C)C 0a81029008f0790fa600afc5d4ac20a9 [0,2,0,0,0,0|2,0,0]=4 11507 B11R0.148 COCCOCOCCS(=O)C de639745b6a67dea8e0c351e93b27823 [0,2,0,0,0,0|2,0,0]=4 11508 B11R0.148 COCNCCCCCC(C)C 37dd793220bae436d7726181fa3b5587 [0,2,0,0,0,0|2,0,0]=4 11509 B11R0.148 COCNCCOCCN(C)C 1e3924d5fac8b6c66a92622d3d9d6e7c [0,2,0,0,0,0|2,0,0]=4 11510 B11R0.148 COCOCCCCCC(C)C f7e5e4a3531eaee210811dc49227ac84 [0,2,0,0,0,0|2,0,0]=4 11511 B11R0.148 COCOCCNCCC(C)C 627e79ce810e0966635ce84cdc9ac4e7 [0,2,0,0,0,0|2,0,0]=4 11512 B11R0.148 COCOCCNCCC(C)O 33e073c7da6f71bed64f48c40978f509 [0,2,0,0,0,0|2,0,0]=4 11513 B11R0.148 COCOCCNCC[C@@H](C)O 1f9c12366c7562bef78b21443af8351f [0,2,0,0,0,0|2,0,0]=4 11514 B11R0.148 COCOCCNCC[C@H](C)O 049fc7ce626c25f6dfbc68f36396ed7c [0,2,0,0,0,0|2,0,0]=4 11515 B11R0.148 COCOCCOCCC(=O)C 1d66549ffbaa6776500fb39c5c12b326 [0,2,0,0,0,0|1,0,1]=4 11516 B11R0.148 COCOCCOCCC(C)C 41d5060f15356151e6831e0358ffbdbb [0,2,0,0,0,0|1,0,0]=3 11517 B11R0.148 COCOCCOCCC(F)F 0ee484b867c78e66670cc87e3d69741f [0,2,0,0,0,0|2,0,0]=4 11518 B11R0.148 COCOCCOCCN(C)C 8c13f4bb3cdefb45979fff0cf2ecee29 [0,2,0,0,0,0|2,0,0]=4 11519 B11R0.148 COCOCCOCCS(=O)C 0bc945a159d743798fb9dc219e043735 [0,2,0,0,0,0|2,0,0]=4 11520 B11R0.148 CS(=O)CCCNCCCCF 40299da30668487961f60001a1255368 [0,2,0,0,0,0|2,0,0]=4 11521 B11R0.148 CS(=O)CCCNCCCCO 69593a360094bc482e161e00d0d5933e [0,2,0,0,0,0|2,0,0]=4 11522 B11R0.148 CS(=O)CCNCCCCCCl 19eb2eb3c3648a6201eb963406dabc37 [0,2,0,0,0,0|2,0,0]=4 11523 B11R0.148 CS(=O)CCNCCCCCF bd9c3c8cf93fd414fe0dfb2b1bdacec1 [0,2,0,0,0,0|2,0,0]=4 11524 B11R0.148 CS(=O)CCNCCCCCO e6185785b0222db44e4aec754b1f81b1 [0,2,0,0,0,0|2,0,0]=4 11525 B11R0.148 CS(=O)CCOCCCCC#N cd58f13b1ca8322280759f8c0fe3574e [0,2,0,0,0,0|1,0,1]=4 11526 B11R0.148 CS(=O)CCOCCCCC=O 5920e663ccdb05795d9cbc712c9d458a [0,2,0,0,0,0|1,0,1]=4 11527 B11R0.148 CS(=O)CCOCCCCCF 4eb7eaf39036813a49075047d0e73c50 [0,2,0,0,0,0|1,0,0]=3 11528 B11R0.148 CS(=O)CCOCCOCCF 0bf3b92899c24a27f93dcfb8b89ba8a3 [0,2,0,0,0,0|2,0,0]=4 11529 B11R0.148 CS(=O)CCOCCOCCS d8aa73bcc69585ce821720d3437099b1 [0,2,0,0,0,0|2,0,0]=4 11530 B11R0.148 CSCCCCNCCC(=O)C 1f7db8bdc8277aba598a98a9c4ce4908 [0,2,0,0,0,0|1,0,1]=4 11531 B11R0.148 CSCCCCNCCC(C)C 61649a3139e16bd9d11f8bf6b80b7d5e [0,2,0,0,0,0|1,0,0]=3 11532 B11R0.148 CSCCCCNCCC(C)O a4b41d79bf57e3a71d4b41a1535d977e [0,2,0,0,0,0|1,0,0]=3 11533 B11R0.148 CSCCCCNCCN(C)C 74b0e1c32a23777d9396a8a17fa20c1f [0,2,0,0,0,0|2,0,0]=4 11534 B11R0.148 CSCCCCNCCS(=O)C f955e6535dee2a8362199a62879d9a96 [0,2,0,0,0,0|2,0,0]=4 11535 B11R0.148 CSCCCCNCOC(C)C 4756b9865594b6fb39021763c2a3387c [0,2,0,0,0,0|2,0,0]=4 11536 B11R0.148 CSCCCCOC/C=C(/C)\I 43f90f430ad023ebc4d2522b810f8cb6 [0,2,0,0,0,0|0,0,2]=4 11537 B11R0.148 CSCCCCOC/C=C(\C)/Cl 950f742c3f74519483af83b3257ef6fa [0,2,0,0,0,0|0,0,2]=4 11538 B11R0.148 CSCCCCOCC=C(C)C ec8d3ca6ab12051808a95bf3ba249248 [0,2,0,0,0,0|0,0,2]=4 11539 B11R0.148 CSCCCCOCC=C(C)Cl a3f69586ea04ae13c41d5408a80ea7fc [0,2,0,0,0,0|0,0,2]=4 11540 B11R0.148 CSCCCCOCC=C(C)I 3893d94467df96305183e705d21faefc [0,2,0,0,0,0|0,0,2]=4 11541 B11R0.148 CSCCCCOCCC(=O)C 9eb1c820143deb28ccbdac5fefd19556 [0,2,0,0,0,0|0,0,1]=3 11542 B11R0.148 CSCCCCOCCC(=O)N dbc3a4092eba73152ad21bef2d70031b [0,2,0,0,0,0|1,0,1]=4 11543 B11R0.148 CSCCCCOCCC(=O)O 098451fe3919d093232420bf266192f1 [0,2,0,0,0,0|1,0,1]=4 11544 B11R0.148 CSCCCCOCCC(C)C 290ad15488fb48fa2cecb868868d9e29 [0,2,0,0,0,0|0,0,0]=2 11545 B11R0.148 CSCCCCOCCN(C)C 5523378b03da9604a7adf07ae2573fee [0,2,0,0,0,0|1,0,0]=3 11546 B11R0.148 CSCCCCOCCS(=O)C 4c6bbfb9c9065882070b4601908a51d3 [0,2,0,0,0,0|1,0,0]=3 11547 B11R0.148 CSCCCCOCOC(=O)C 11bafcbc086b124dd47336155ed036eb [0,2,0,0,0,0|1,0,1]=4 11548 B11R0.148 CSCCCCOCOC(C)C 339b3a5939ab9f97449b8eaf546fc76e [0,2,0,0,0,0|1,0,0]=3 11549 B11R0.148 CSCCCNCCCC(=O)C 22c2a84284aa7fbe7690e72ac77f3f99 [0,2,0,0,0,0|1,0,1]=4 11550 B11R0.148 CSCCCNCCCC(C)C dc12dc8e9c7f2f894a7f3e9d5ed1d30c [0,2,0,0,0,0|1,0,0]=3 11551 B11R0.148 CSCCCNCCCC(C)O 0d872fa43229a3d0574f0ec04a5d0878 [0,2,0,0,0,0|1,0,0]=3 11552 B11R0.148 CSCCCNCCCN(C)C 665c0ba708b033546c5b78babb037b90 [0,2,0,0,0,0|2,0,0]=4 11553 B11R0.148 CSCCCNCCCS(=O)C 082e555abb8ee07d45fa041ea7f517d1 [0,2,0,0,0,0|2,0,0]=4 11554 B11R0.148 CSCCCNCCOC(C)C 18757890954dd41da3dc316a0c6b2c67 [0,2,0,0,0,0|2,0,0]=4 11555 B11R0.148 CSCCCNCCSC(C)C ee3e372f085e1da3e2f80b2fed6ef4aa [0,2,0,0,0,0|2,0,0]=4 11556 B11R0.148 CSCCCOC/C=C/C(C)C afb20ae751022eb788f7a16b6f9f9a0a [0,2,0,0,0,0|0,0,2]=4 11557 B11R0.148 CSCCCOCCC=C(C)C e4d7277707f88d7112892ed8194ef7f2 [0,2,0,0,0,0|0,0,2]=4 11558 B11R0.148 CSCCCOCCCC(=O)C 5468e78dba08221c943b6f4f7653f163 [0,2,0,0,0,0|0,0,1]=3 11559 B11R0.148 CSCCCOCCCC(=O)N 7d3fb507284e5af4b512ff6e4a524af2 [0,2,0,0,0,0|1,0,1]=4 11560 B11R0.148 CSCCCOCCCC(C)C 7989ea8782c6ac212730d5ea9040f006 [0,2,0,0,0,0|0,0,0]=2 11561 B11R0.148 CSCCCOCCCN(C)C 9946ee30d4f96d3221018b61a2372b0b [0,2,0,0,0,0|1,0,0]=3 11562 B11R0.148 CSCCCOCCC[N+](=O)[O-] 542ed4434cef1ca08c5388bf519943da [0,2,0,0,0,0|2,0,0]=4 11563 B11R0.148 CSCCCOCCNC(=O)C ee2c88601162ded3a09b4454af81913d [0,2,0,0,0,0|1,0,1]=4 11564 B11R0.148 CSCCCOCCOC(=O)C c1f4b7e88b1ca776c50b8600e625a794 [0,2,0,0,0,0|1,0,1]=4 11565 B11R0.148 CSCCCOCCOC(C)C 889417dd61bf572b115bc1072d0547ee [0,2,0,0,0,0|1,0,0]=3 11566 B11R0.148 CSCCCOCCOC(F)F 07459755ffd3e1640277da7f4b3d02a5 [0,2,0,0,0,0|2,0,0]=4 11567 B11R0.148 CSCCCOCCSC(=O)C f89a86b1a296d3280e51ad86c4d98254 [0,2,0,0,0,0|1,0,1]=4 11568 B11R0.148 CSCCCOCCSC(C)C 0b2d6fdb4d33a744d6b373a03e74c935 [0,2,0,0,0,0|1,0,0]=3 11569 B11R0.148 CSCCNCCCCC(=O)C a38fe99fe24381b306612176189b7551 [0,2,0,0,0,0|2,0,0]=4 11570 B11R0.148 CSCCNCCCCC(C)C 9c98754fa350ba33780dc62c42381957 [0,2,0,0,0,0|2,0,0]=4 11571 B11R0.148 CSCCNCCCCC(C)O cba11288cf4a8f8c7d5c3a9c35d3039d [0,2,0,0,0,0|2,0,0]=4 11572 B11R0.148 CSCCNCCCCC(F)F 04e0601cd325f2849b4cfd8456a2abd5 [0,2,0,0,0,0|2,0,0]=4 11573 B11R0.148 CSCCNCCCCN(C)C fd7a51ef9381689c21ed320edf2b00d5 [0,2,0,0,0,0|2,0,0]=4 11574 B11R0.148 CSCCNCCCC[C@@H](C)O acf1c268ee0508a9d39a2e6344a8070a [0,2,0,0,0,0|2,0,0]=4 11575 B11R0.148 CSCCNCCCOC(C)C 78ed9266a3d7e8216f7ec474aacb2978 [0,2,0,0,0,0|2,0,0]=4 11576 B11R0.148 CSCCNCCCSC(C)C 0624e240a49967ba1b3f6f48d53b4bd8 [0,2,0,0,0,0|2,0,0]=4 11577 B11R0.148 CSCCNCCOCC(C)C 259f317a3bb3210246d2a871d8f6274b [0,2,0,0,0,0|2,0,0]=4 11578 B11R0.148 CSCCOCCCCC(=O)C 47a2d2ae2f15bfafe11ae3359b2de694 [0,2,0,0,0,0|1,0,0]=3 11579 B11R0.148 CSCCOCCCCC(=O)N 5f77339468c72b4a2fce895b8fb41a2c [0,2,0,0,0,0|1,0,1]=4 11580 B11R0.148 CSCCOCCCCC(=O)O f3fe1c8d2ae8384b166b285c6df10be0 [0,2,0,0,0,0|1,0,1]=4 11581 B11R0.148 CSCCOCCCCC(C)C 1b0511152ce353affc4112f25b6376b9 [0,2,0,0,0,0|1,0,0]=3 11582 B11R0.148 CSCCOCCCCN(C)C 99bccb29b462d5aa98965e2c015bdb9f [0,2,0,0,0,0|1,0,0]=3 11583 B11R0.148 CSCCOCCCC[N+](=O)[O-] 31e8ecc18240d5c3e648a145cd2e1db5 [0,2,0,0,0,0|2,0,0]=4 11584 B11R0.148 CSCCOCCCNC(=O)C d2838451f4b8ca5531a2d6ec811cd0f2 [0,2,0,0,0,0|1,0,1]=4 11585 B11R0.148 CSCCOCCCNC(C)C 8542517198876fe4eae1596b29c47aef [0,2,0,0,0,0|1,0,0]=3 11586 B11R0.148 CSCCOCCCOC(=O)C cd73c010e4450dd9732fbf95fcfd8359 [0,2,0,0,0,0|1,0,1]=4 11587 B11R0.148 CSCCOCCCOC(=S)C 41847f2dd147a4ca068730af836536ad [0,2,0,0,0,0|1,0,1]=4 11588 B11R0.148 CSCCOCCCOC(C)C b507505008dc84fe7f27310739e897ba [0,2,0,0,0,0|1,0,0]=3 11589 B11R0.148 CSCCOCCCSC(=O)C a0d65463038890c0cf07bd27b340d5d7 [0,2,0,0,0,0|1,0,1]=4 11590 B11R0.148 CSCCOCCCSC(C)C 28568e54e7c4bd8ff90888d362b23380 [0,2,0,0,0,0|1,0,0]=3 11591 B11R0.148 CSCCOCCOCC(C)C f475b135820adde764d5f2bb9071002d [0,2,0,0,0,0|1,0,0]=3 11592 B11R0.148 CSCCOCCOCC(F)F 6faa4024aef58847af6b88ad6015c8d0 [0,2,0,0,0,0|2,0,0]=4 11593 B11R0.148 CSCCOCCSCC(C)C 5e071c613ea7cdcbc924e2bf52c06ab8 [0,2,0,0,0,0|1,0,0]=3 11594 B11R0.148 CSCNCCCCCC(C)C faf111e751d55e92d2a3a4275925fd53 [0,2,0,0,0,0|2,0,0]=4 11595 B11R0.148 CSCNCCOCCN(C)C 474f8ae7f0e471a1e72a54a2107e76fc [0,2,0,0,0,0|2,0,0]=4 11596 B11R0.148 CSCOCCCCCC(C)C c3fbb65fd2da8d826531a0409c44715d [0,2,0,0,0,0|2,0,0]=4 11597 B11R0.148 CSCOCCOCCN(C)C 9ecaaa1e54c6e616d9fc4da2fe89ef82 [0,2,0,0,0,0|2,0,0]=4 11598 B11R0.148 C[C@@H](F)COCCCCCCF 7195dd7a68df18d8e3cec33710e4d129 [0,2,0,0,0,0|2,0,0]=4 11599 B11R0.148 C[C@@H](O)CCCCNCCCCl f8189c1ec7c682797fb0ab04f549b79c [0,2,0,0,0,0|2,0,0]=4 11600 B11R0.148 C[C@@H](O)CCCCNCCCO 783f0910fd9a7305a3b3999e4f1a242f [0,2,0,0,0,0|2,0,0]=4 11601 B11R0.148 C[C@@H](O)CCNCCCCC#N a096ad9aaa7c1e5767e81f99b747b020 [0,2,0,0,0,0|1,0,1]=4 11602 B11R0.148 C[C@@H](O)CCNCCCCC=O 010600455d2ffa58130661d85aabd0c8 [0,2,0,0,0,0|1,0,1]=4 11603 B11R0.148 C[C@@H](O)CCNCCCCCF 4838cef28426dd8ec31647e48b9e845e [0,2,0,0,0,0|1,0,0]=3 11604 B11R0.148 C[C@@H](O)CCNCCCCCO b13471bd516df4bd2bedb25c936c8159 [0,2,0,0,0,0|1,0,0]=3 11605 B11R0.148 C[C@@H](O)CCNCCCCON 5cb064d57326c46d61e071450b38cd7d [0,2,0,0,0,0|2,0,0]=4 11606 B11R0.148 C[C@@H](O)CCNCCOCCO 736ebd3d9bdefee303cab6b8f4a26bd1 [0,2,0,0,0,0|2,0,0]=4 11607 B11R0.148 C[C@@H](O)CNCCCCCCCl 161f5eda601f36af3685ec75b9bde82e [0,2,0,0,0,0|2,0,0]=4 11608 B11R0.148 C[C@@H](O)CNCCCCCCF ecc51158952d06574fe03a76865c685f [0,2,0,0,0,0|2,0,0]=4 11609 B11R0.148 C[C@@H](O)CNCCCCCCO 2408f53f8ed8549405bf9c3a948ce3d5 [0,2,0,0,0,0|2,0,0]=4 11610 B11R0.148 C[C@@H](O)CNCCOCCCO 2c512a09f77e8e7493f10c787df078de [0,2,0,0,0,0|1,0,0]=3 11611 B11R0.148 C[C@@H](O)CNCCOCCON 95475e783662ec40cb869d2fbaf23d92 [0,2,0,0,0,0|2,0,0]=4 11612 B11R0.148 C[C@H](F)COCCCCCCF e547171252828af90962a1b6cb7d4a7e [0,2,0,0,0,0|2,0,0]=4 11613 B11R0.148 C[C@H](O)CCNCCCCC#N 48f4614bdf7fd93fd73b4674631e59ab [0,2,0,0,0,0|1,0,1]=4 11614 B11R0.148 C[C@H](O)CCNCCCCC=O ea5069562580d7a6455b26185c2a1881 [0,2,0,0,0,0|1,0,1]=4 11615 B11R0.148 C[C@H](O)CCNCCCCCF 975ab0ec650e5067c586bb3c4060578e [0,2,0,0,0,0|1,0,0]=3 11616 B11R0.148 C[C@H](O)CCNCCCCCO 42357ac6f4fcddf5586a4fd9971d1d01 [0,2,0,0,0,0|1,0,0]=3 11617 B11R0.148 C[C@H](O)CCNCCCCON e6c038fd4ab26a49d97232bdedc3fa2e [0,2,0,0,0,0|2,0,0]=4 11618 B11R0.148 C[C@H](O)CCNCCOCCO 19f2ccae32a8e333b05f6caf5f956828 [0,2,0,0,0,0|2,0,0]=4 11619 B11R0.148 C[C@H](O)CNCCCCCCCl 1d8263afe3616d65467e105439de38a2 [0,2,0,0,0,0|2,0,0]=4 11620 B11R0.148 C[C@H](O)CNCCCCCCF bb876a35baaddf7c75c2f1cb4598af14 [0,2,0,0,0,0|2,0,0]=4 11621 B11R0.148 C[C@H](O)CNCCCCCCO 643e793020ae7e33277250873fb00f80 [0,2,0,0,0,0|2,0,0]=4 11622 B11R0.148 C[C@H](O)CNCCOCCCO f097330ec8ac3d1d46b84db900707875 [0,2,0,0,0,0|1,0,0]=3 11623 B11R0.148 C[C@H](O)CNCCOCCON 02c1970cf8e1a655d6f5bea82c0f622c [0,2,0,0,0,0|2,0,0]=4 11624 B11R0.148 FC(F)CCCCNCCCS 1ce470b93a579041fbda67567123d53c [0,2,0,0,0,0|2,0,0]=4 11625 B11R0.148 FC(F)COCCOCCCS 37cbc94d459ed0836e3c43440874e080 [0,2,0,0,0,0|2,0,0]=4 11626 B11R0.148 FC(F)OCCOCCCCS 20e211f87eb0bc29b750907b9bb28edc [0,2,0,0,0,0|2,0,0]=4 11627 B11R0.148 FCCCCCNCCC(F)F 4af6cfd566c7f9549b202f408b7d80d2 [0,2,0,0,0,0|2,0,0]=4 11628 B11R0.148 FCCCCCOCCC(F)F 131f7c4c0f8f09ac2e1f50b832dce00e [0,2,0,0,0,0|1,0,0]=3 11629 B11R0.148 FCCCCOCCOC(F)F 4f887dfb23a6549f7d791e6fe42389eb [0,2,0,0,0,0|2,0,0]=4 11630 B11R0.148 FCCCNCCCCC(F)F 3871412aa4bdd01b328b2f84adb6628c [0,2,0,0,0,0|2,0,0]=4 11631 B11R0.148 FCCCOCCOCC(F)F d3b68d454f2b86bed290175d08dd6a95 [0,2,0,0,0,0|2,0,0]=4 11632 B11R0.148 N#CCCCCOCCC(F)F 17ea86c1316ec2c4c7bd7334e0dc561e [0,2,0,0,0,0|1,0,1]=4 11633 B11R0.148 NC(=O)CCCCOCCCF 20d052fe0c2ffdfa693ff94ce3087a74 [0,2,0,0,0,0|1,0,1]=4 11634 B11R0.148 NC(=O)CCCCOCCCS 25ace9e1542d548bb5d0d23c164a887a [0,2,0,0,0,0|1,0,1]=4 11635 B11R0.148 NC(=O)CCCOCCCCF facbf834bb753e13c1cf5d08e0c79d3b [0,2,0,0,0,0|1,0,1]=4 11636 B11R0.148 NC(=O)CCCOCCCCS 015cd073cacedef6f76994cac1ed249b [0,2,0,0,0,0|1,0,1]=4 11637 B11R0.148 NC(=O)CCOCCCCCF 00a733452876517b4da265e170bc7bbd [0,2,0,0,0,0|1,0,1]=4 11638 B11R0.148 O=C(O)CCCCOCCCF c73ed8d5d070d316525e192103423940 [0,2,0,0,0,0|1,0,1]=4 11639 B11R0.148 O=C(O)CCCCOCCCS 5298991ccf9dc6658331de62de34a928 [0,2,0,0,0,0|1,0,1]=4 11640 B11R0.148 O=C(O)CCCOCCCCF 3d954790f2241d94083a955977aa19c2 [0,2,0,0,0,0|1,0,1]=4 11641 B11R0.148 O=C(O)CCOCCCCCF fabc09b462bdbb3b3613f7ec1f025c51 [0,2,0,0,0,0|1,0,1]=4 11642 B11R0.148 O=CCCCCOCCC(F)F d0285b4db127a85529a2edea2293d92f [0,2,0,0,0,0|1,0,1]=4 11643 B11R0.148 O=[N+]([O-])CCCCOCCCF 8ef8e11189cf871b8e8634db4778b909 [0,2,0,0,0,0|2,0,0]=4 11644 B11R0.148 O=[N+]([O-])CCCCOCCCS 5e7fe26a4b774243201e7af3e243a142 [0,2,0,0,0,0|2,0,0]=4 11645 B11R0.148 O=[N+]([O-])CCCOCCCCF 37b0e646590060c918b40ada29c8e165 [0,2,0,0,0,0|2,0,0]=4 11646 B11R0.148 O=[N+]([O-])CCCOCCCCS b10bbafb9726e8be7fdf418b2980eb19 [0,2,0,0,0,0|2,0,0]=4 11647 B11R0.148 O=[N+]([O-])CCOCCCCCF 9ce2a7a3224fa5fbab7804603d33681e [0,2,0,0,0,0|2,0,0]=4 11648 B11R0.148 OCCCCCNCCC(F)F 2b107d4e3b46bd36ed1ce4f4813c19f9 [0,2,0,0,0,0|2,0,0]=4 11649 B11R0.148 OCCCNCCCCC(F)F 307ab3e49724a3aa9b36496ea7316451 [0,2,0,0,0,0|2,0,0]=4 11650 B11R0.148 OCCCOCCNCC(F)F df23842222ded3f73c0cf5bbc475026f [0,2,0,0,0,0|2,0,0]=4 11651 B11R0.159 C#CCCCOCCC(C)(C)C ec5b752e738b789f5a996b02c411a8d3 [0,2,0,0,0,0|0,0,2]=4 11652 B11R0.159 C#CCCCOCCC(C)(C)O 1e10de4525a6dff4e5b1cb008c898897 [0,2,0,0,0,0|0,0,2]=4 11653 B11R0.159 C#CCCCOCCC(C)(C)S a244bd4804d16e0bd9793f907bf65d8b [0,2,0,0,0,0|0,0,2]=4 11654 B11R0.159 C#CCCCOCCC(C)(F)F 97bef87cef6eaec5505ae2c69dce7fcb [0,2,0,0,0,0|0,0,2]=4 11655 B11R0.159 C#CCCOCCCC(C)(C)C dd1c7c127b7b85a0ddd9d65b1432bd93 [0,2,0,0,0,0|0,0,2]=4 11656 B11R0.159 C#CCCOCCCC(C)(C)O 56638f8e6119d9d3ff855d7e8f52709b [0,2,0,0,0,0|0,0,2]=4 11657 B11R0.159 C#CCCOCCCC(C)(F)F 6d3e304a9d389abbc9cd8ba6be5ec093 [0,2,0,0,0,0|0,0,2]=4 11658 B11R0.159 C/C=C/CCOCCC(C)(C)C 07957a78a3e0d74003b00e773dfbfd90 [0,2,0,0,0,0|0,0,2]=4 11659 B11R0.159 C/C=C/CCOCCC(C)(C)O e2519d77da73c1d41eca75351f2db209 [0,2,0,0,0,0|0,0,2]=4 11660 B11R0.159 C/C=C/CCOCCC(C)(F)F 30e2e66f238a302fba0732fe73ff3722 [0,2,0,0,0,0|0,0,2]=4 11661 B11R0.159 C/C=C/COCCCC(C)(C)C 4507f89ece85335a5abed170dc219007 [0,2,0,0,0,0|0,0,2]=4 11662 B11R0.159 C/C=C/COCCCC(C)(C)O b5c15ca0bcf060342e6b58b87ea8bf06 [0,2,0,0,0,0|0,0,2]=4 11663 B11R0.159 C/C=C/COCCCC(C)(F)F d34aeb2eae4e95598896756ded37f7e3 [0,2,0,0,0,0|0,0,2]=4 11664 B11R0.159 C/C=C\COCCCC(C)(C)C 756bbc1dac8d0177193e885013a10f7e [0,2,0,0,0,0|0,0,2]=4 11665 B11R0.159 C/C=C\COCCCC(C)(C)O 0aee793958df19afb6ec453c1bcbdb54 [0,2,0,0,0,0|0,0,2]=4 11666 B11R0.159 C/C=C\COCCCC(C)(F)F fb923201ab3e209471d91692919bd677 [0,2,0,0,0,0|0,0,2]=4 11667 B11R0.159 C=CCCCOCCC(C)(C)C 024e9fa286888beda7e40aef6bde9cb6 [0,2,0,0,0,0|0,0,2]=4 11668 B11R0.159 C=CCCCOCCC(C)(C)O 3d82cd9cfcf7630210423ed5186dd27c [0,2,0,0,0,0|0,0,2]=4 11669 B11R0.159 C=CCCCOCCC(C)(C)S 9cadd98ec48e7b6bf9166e3b3d644549 [0,2,0,0,0,0|0,0,2]=4 11670 B11R0.159 C=CCCCOCCC(C)(F)F d951002140f4d22c0a86c2bba6cd6185 [0,2,0,0,0,0|0,0,2]=4 11671 B11R0.159 C=CCCOCCCC(C)(C)C f6f970606ed9d45c2a4fc44876d8cd63 [0,2,0,0,0,0|0,0,2]=4 11672 B11R0.159 C=CCCOCCCC(C)(C)O 71edd7282bbd536d67b76c3eae52841d [0,2,0,0,0,0|0,0,2]=4 11673 B11R0.159 C=CCCOCCCC(C)(F)F f9b61b1cd05211607ee6fd4e1555e15c [0,2,0,0,0,0|0,0,2]=4 11674 B11R0.159 CC#CCCOCCC(C)(C)C 6443ae2155fd78efdcd259b2fc585939 [0,2,0,0,0,0|0,0,2]=4 11675 B11R0.159 CC#CCCOCCC(C)(C)O 168b15e3b6031e3f90a348e4d1625fa9 [0,2,0,0,0,0|0,0,2]=4 11676 B11R0.159 CC#CCCOCCC(C)(F)F 7d0bfd22675499bae39c22a395d789d5 [0,2,0,0,0,0|0,0,2]=4 11677 B11R0.159 CC#CCOCCCC(C)(C)C e8d324d165995da11c3775c547c8714b [0,2,0,0,0,0|0,0,2]=4 11678 B11R0.159 CC#CCOCCCC(C)(C)O 609ffd9e7def4efe519dc7b0ca52231e [0,2,0,0,0,0|0,0,2]=4 11679 B11R0.159 CC#CCOCCCC(C)(F)F 5c666afd2bab06577e51e64c9f8086ba [0,2,0,0,0,0|0,0,2]=4 11680 B11R0.159 CC(C)(C)CCCNCCCF d0a03c27ee156dadc60af1d7189e22a0 [0,2,0,0,0,0|2,0,0]=4 11681 B11R0.159 CC(C)(C)CCCNCCCO bb4c10d76cc1d0bdae2f9828699b0f38 [0,2,0,0,0,0|2,0,0]=4 11682 B11R0.159 CC(C)(C)CCCNCCCS b2429f6da5a05686f10cecdd0613c263 [0,2,0,0,0,0|2,0,0]=4 11683 B11R0.159 CC(C)(C)CCCOCCC#N 38ea2db6f94a3efc213b1e9244bcf5ee [0,2,0,0,0,0|1,0,1]=4 11684 B11R0.159 CC(C)(C)CCCOCCC=O 731f89ea02d0bbe967615ba73d051671 [0,2,0,0,0,0|1,0,1]=4 11685 B11R0.159 CC(C)(C)CCCOCCCF 4e52c5e01809c4ecf4a5c7495cddc47e [0,2,0,0,0,0|1,0,0]=3 11686 B11R0.159 CC(C)(C)CCCOCCCS 31abcdd63501eb2c9ac58d8d92506b3e [0,2,0,0,0,0|1,0,0]=3 11687 B11R0.159 CC(C)(C)CCNCCCCCl 0613441dbecb3e75a529264c73d617b0 [0,2,0,0,0,0|2,0,0]=4 11688 B11R0.159 CC(C)(C)CCNCCCCF ed66b9e202c479a807800f2656ac0afb [0,2,0,0,0,0|2,0,0]=4 11689 B11R0.159 CC(C)(C)CCNCCCCO 54689b904d6f8326311fb0ba2b72da02 [0,2,0,0,0,0|2,0,0]=4 11690 B11R0.159 CC(C)(C)CCNCCCCS 40d3419454a3aafdde962e7011a56233 [0,2,0,0,0,0|2,0,0]=4 11691 B11R0.159 CC(C)(C)CCOCCCC#N e58d0c7252ae771abb0e82ad04a6c777 [0,2,0,0,0,0|1,0,1]=4 11692 B11R0.159 CC(C)(C)CCOCCCC=O be265d527cc10c88706d16114f2a7668 [0,2,0,0,0,0|1,0,1]=4 11693 B11R0.159 CC(C)(C)CCOCCCCF f194e39b855916c9e7c096680d0e39bc [0,2,0,0,0,0|1,0,0]=3 11694 B11R0.159 CC(C)(C)CCOCCCCS fb482c8bc435d581580b96d13f68ec8e [0,2,0,0,0,0|1,0,0]=3 11695 B11R0.159 CC(C)(C)OCCOCCCF 07fe5eebfd5b88e3ebc1415750829e24 [0,2,0,0,0,0|2,0,0]=4 11696 B11R0.159 CC(C)(C)OCCOCCCS 246af8198c23d498f7bfbcb79f4cc394 [0,2,0,0,0,0|2,0,0]=4 11697 B11R0.159 CC(C)(C)SCCOCCCF 5434d154b0d55664ac06a88294f72a8c [0,2,0,0,0,0|2,0,0]=4 11698 B11R0.159 CC(C)(C)SCCOCCCS 9365677d1657ec99f1d020b09b960ff0 [0,2,0,0,0,0|2,0,0]=4 11699 B11R0.159 CC(C)(F)CCNCCCCF d40a0c67beeb6c7ac4aaed2e56cbf0d8 [0,2,0,0,0,0|2,0,0]=4 11700 B11R0.159 CC(C)(F)CCNCCCCO bd981fbd616871d1a67a28f50b65f457 [0,2,0,0,0,0|2,0,0]=4 11701 B11R0.159 CC(C)(O)CCCNCCCCl 2b62b7ea23a9c37c9914e0749b1084f2 [0,2,0,0,0,0|2,0,0]=4 11702 B11R0.159 CC(C)(O)CCCNCCCF c2632b15d2a408195b948bccc4622774 [0,2,0,0,0,0|2,0,0]=4 11703 B11R0.159 CC(C)(O)CCCNCCCO 1a8a4d88e633865ef99dcba74335afc3 [0,2,0,0,0,0|2,0,0]=4 11704 B11R0.159 CC(C)(O)CCCNCCCS 0af541bb3f9b14d6d1676dfd266a8034 [0,2,0,0,0,0|2,0,0]=4 11705 B11R0.159 CC(C)(O)CCCOCCC#N 8c3d6a3bedb9c031251c86d7aaac8227 [0,2,0,0,0,0|1,0,1]=4 11706 B11R0.159 CC(C)(O)CCCOCCC=O 7bfd8aa791f4487d01a0359785140560 [0,2,0,0,0,0|1,0,1]=4 11707 B11R0.159 CC(C)(O)CCCOCCCF 644084046a5ae874f901d4464a806d00 [0,2,0,0,0,0|1,0,0]=3 11708 B11R0.159 CC(C)(O)CCCOCCCS 5efa20d1310963ea79990f3a289f727c [0,2,0,0,0,0|1,0,0]=3 11709 B11R0.159 CC(C)(O)CCNCCCCCl 070921cd066211416d2f279f67017b63 [0,2,0,0,0,0|2,0,0]=4 11710 B11R0.159 CC(C)(O)CCNCCCCF f29fbd90b70afa9c743800427d905b7f [0,2,0,0,0,0|2,0,0]=4 11711 B11R0.159 CC(C)(O)CCNCCCCO 91554e96873ab995b38cde31f6107a51 [0,2,0,0,0,0|2,0,0]=4 11712 B11R0.159 CC(C)(O)CCNCCCCS c889930fc61c22d74073bf1150d49cc0 [0,2,0,0,0,0|2,0,0]=4 11713 B11R0.159 CC(C)(O)CCOCCCC#N e51c62c5e4ebeffebc3d5037db0c8311 [0,2,0,0,0,0|1,0,1]=4 11714 B11R0.159 CC(C)(O)CCOCCCC=O 6d3aea38d0645e8153150af21be56264 [0,2,0,0,0,0|1,0,1]=4 11715 B11R0.159 CC(C)(O)CCOCCCCF 834b7178f0a246fd088cecef95a2c26c [0,2,0,0,0,0|1,0,0]=3 11716 B11R0.159 CC(C)(O)CCOCCCCS 53442672805919897536db68f1105f54 [0,2,0,0,0,0|1,0,0]=3 11717 B11R0.159 CC(C)(S)CCOCCCC#N 70aabe71802c0603bdf1c70683a82e96 [0,2,0,0,0,0|1,0,1]=4 11718 B11R0.159 CC(C)(S)CCOCCCC=O 8e3bda63c0204f4eaaa609d5c93eb411 [0,2,0,0,0,0|1,0,1]=4 11719 B11R0.159 CC(C)(S)CCOCCCCF ac5f7cee79f42984905eccd0219edabe [0,2,0,0,0,0|1,0,0]=3 11720 B11R0.159 CC(F)(F)CCCNCCCCl 24319f27ff64879c09df15a834364a99 [0,2,0,0,0,0|2,0,0]=4 11721 B11R0.159 CC(F)(F)CCCNCCCO 228106e54a1b7d6b83a111354f935d0a [0,2,0,0,0,0|2,0,0]=4 11722 B11R0.159 CC(F)(F)CCCOCCC#N eacb373a3a46115be302112f2fd51d15 [0,2,0,0,0,0|1,0,1]=4 11723 B11R0.159 CC(F)(F)CCCOCCC=O 420a86986f3e1e9ecd339a2f513a3756 [0,2,0,0,0,0|1,0,1]=4 11724 B11R0.159 CC(F)(F)CCCOCCCF 0382fa20736c173b315d0595570d063a [0,2,0,0,0,0|1,0,0]=3 11725 B11R0.159 CC(F)(F)CCCOCCCS 0f9fb401c9e7eeca09377c5745612d04 [0,2,0,0,0,0|1,0,0]=3 11726 B11R0.159 CC(F)(F)CCNCCCCCl 4316d3473178f476e9ffbbd2597adf6b [0,2,0,0,0,0|2,0,0]=4 11727 B11R0.159 CC(F)(F)CCNCCCCO cc8d3058b0690f2915c526fc3f13a909 [0,2,0,0,0,0|2,0,0]=4 11728 B11R0.159 CC(F)(F)CCNCCCCS dd30ec4e734a15a1b7feb96ba50f1a1a [0,2,0,0,0,0|2,0,0]=4 11729 B11R0.159 CC(F)(F)CCOCCCC#N 486826324dd06f8346e41e686c76de49 [0,2,0,0,0,0|1,0,1]=4 11730 B11R0.159 CC(F)(F)CCOCCCC=O e202e17e04e3599476efb9f9d726ef3f [0,2,0,0,0,0|1,0,1]=4 11731 B11R0.159 CC(F)(F)CCOCCCCF a67fefd70f0ac6ef07712d5ea0f171ae [0,2,0,0,0,0|1,0,0]=3 11732 B11R0.159 CC(F)(F)CCOCCCCS 22a7f41656e3689ee5266b038a7a96e1 [0,2,0,0,0,0|1,0,0]=3 11733 B11R0.159 CC/C=C/COCCC(C)(C)C 2e5d09e9b268b0cac058848bd561c7ff [0,2,0,0,0,0|0,0,2]=4 11734 B11R0.159 CC/C=C/COCCC(C)(C)O 1c9b619863a7ead4d82218b0a5bc4098 [0,2,0,0,0,0|0,0,2]=4 11735 B11R0.159 CC/C=C/COCCC(C)(C)S eb8be8518e81ed1b2784d76d39d0db9c [0,2,0,0,0,0|0,0,2]=4 11736 B11R0.159 CC/C=C/COCCC(C)(F)F 9ab45a0fad43246593aebd5d9f87ce6b [0,2,0,0,0,0|0,0,2]=4 11737 B11R0.159 CC/C=C\COCCC(C)(C)C 4926b1c2e00a4c5fad83c03661694956 [0,2,0,0,0,0|0,0,2]=4 11738 B11R0.159 CC/C=C\COCCC(C)(C)O c007818a8125006318de2323b83a1f9b [0,2,0,0,0,0|0,0,2]=4 11739 B11R0.159 CC/C=C\COCCC(C)(F)F 84565833bf34b620b1d7747c0843e908 [0,2,0,0,0,0|0,0,2]=4 11740 B11R0.159 CC=CCOCCCC(C)(C)O 3d746427bebf4078a276682aca63351b [0,2,0,0,0,0|0,0,2]=4 11741 B11R0.159 CC=CCOCCCC(C)(F)F 3a60da3bfcdddc51df6ccacc0b801d7e [0,2,0,0,0,0|0,0,2]=4 11742 B11R0.159 CCC#CCOCCC(C)(C)C e67bc048bc62d755d7051ff266e6791a [0,2,0,0,0,0|0,0,2]=4 11743 B11R0.159 CCC#CCOCCC(C)(C)O f84573098cf3a93252a412d8e7b78bec [0,2,0,0,0,0|0,0,2]=4 11744 B11R0.159 CCC#CCOCCC(C)(C)S c36147ca1e10b58a63ea0b1a95c6ebf8 [0,2,0,0,0,0|0,0,2]=4 11745 B11R0.159 CCC#CCOCCC(C)(F)F 9e0669c3fab7298bd49b5cb9c5efc370 [0,2,0,0,0,0|0,0,2]=4 11746 B11R0.159 CCCCCCCNC(C)(C)C 3c22ae7a14563090dd4d5e23cc13ed4f [0,2,0,0,0,0|2,0,0]=4 11747 B11R0.159 CCCCCCNCC(C)(C)C 9683a1046d5e7e7990c1415f39c6fb64 [0,2,0,0,0,0|2,0,0]=4 11748 B11R0.159 CCCCCCNCC(C)(C)F cc1cd38e92e9ef77c41af5ab0277022d [0,2,0,0,0,0|2,0,0]=4 11749 B11R0.159 CCCCCCNCC(C)(C)O 2aa578fdffe8a98c5a18daa33302c7d4 [0,2,0,0,0,0|2,0,0]=4 11750 B11R0.159 CCCCCCNCC(C)(F)F bd46793374da268d1cbd1d98f3e90705 [0,2,0,0,0,0|2,0,0]=4 11751 B11R0.159 CCCCCCOCC(C)(C)Br 89bb21a9a8da09354340e6bb3f03f340 [0,2,0,0,0,0|2,0,0]=4 11752 B11R0.159 CCCCCCOCC(C)(C)C d288487601f0a7690e9bb6cf3a67214e [0,2,0,0,0,0|2,0,0]=4 11753 B11R0.159 CCCCCCOCC(C)(C)F 4339a90c04b299abec436b00ac4e4c69 [0,2,0,0,0,0|2,0,0]=4 11754 B11R0.159 CCCCCCOCC(C)(C)O c0362b6df206c60f756983a4e87a83e1 [0,2,0,0,0,0|2,0,0]=4 11755 B11R0.159 CCCCCCOCC(C)(C)S 4b78857e48069ece5f9a7fd379e0fb0e [0,2,0,0,0,0|2,0,0]=4 11756 B11R0.159 CCCCCCOCC(C)(F)F bbfb8d88e665225b09c7b42bec64ca91 [0,2,0,0,0,0|2,0,0]=4 11757 B11R0.159 CCCCCNCCC(C)(C)C ae1b765c7045bc9f89e2f15bbf237ed3 [0,2,0,0,0,0|1,0,0]=3 11758 B11R0.159 CCCCCNCCC(C)(C)F 6c00802467df5f4b3d11c9b5a06f9838 [0,2,0,0,0,0|1,0,0]=3 11759 B11R0.159 CCCCCNCCC(C)(C)O 3042b95fe42d3f7092916b2c73621e5b [0,2,0,0,0,0|1,0,0]=3 11760 B11R0.159 CCCCCNCCC(C)(F)F 99adffdafc5e583b1359a75dd7b0152e [0,2,0,0,0,0|1,0,0]=3 11761 B11R0.159 CCCCCNCCC(F)(F)F 28095d300bf9da5a09be301db2923d90 [0,2,0,0,0,0|2,0,0]=4 11762 B11R0.159 CCCCCNCCS(=O)(=O)C 6452203b02812ffdb0382b249ad978dd [0,2,0,0,0,0|2,0,0]=4 11763 B11R0.159 CCCCCOCCC(C)(C)C d273c8aca0e74e22e56459066d29e273 [0,2,0,0,0,0|0,0,0]=2 11764 B11R0.159 CCCCCOCCC(C)(C)O 0278db2b4c87f85e7b53063af5b2967b [0,2,0,0,0,0|0,0,0]=2 11765 B11R0.159 CCCCCOCCC(C)(C)S 61a4f6fec0f98006c8386c3a71a66e0a [0,2,0,0,0,0|0,0,0]=2 11766 B11R0.159 CCCCCOCCC(C)(F)F c631c15edf1c17ac1c12c98bd5912aa7 [0,2,0,0,0,0|0,0,0]=2 11767 B11R0.159 CCCCCOCCC(F)(F)F 937c65cb4c7859958686aa2bc6246e7b [0,2,0,0,0,0|1,0,0]=3 11768 B11R0.159 CCCCCOCCS(=N)(=O)C f7f282f0423fd958d79051cc70537fdb [0,2,0,0,0,0|1,0,0]=3 11769 B11R0.159 CCCCCOCCS(=O)(=O)C 2419264a221c51fe3e694a9de805f270 [0,2,0,0,0,0|1,0,0]=3 11770 B11R0.159 CCCCCOCCS(=O)(=O)N c7b69ab2c5fa4832870e147a326f76fb [0,2,0,0,0,0|2,0,0]=4 11771 B11R0.159 CCCCCOCCS(=O)(=O)O 2636fd09442f0930a28022b7027aa46a [0,2,0,0,0,0|2,0,0]=4 11772 B11R0.159 CCCCNCCCC(C)(C)C f6d9d863d36b79939bfa55515736fa71 [0,2,0,0,0,0|1,0,0]=3 11773 B11R0.159 CCCCNCCCC(C)(C)O 9d7ac595c2f0c7b802e9232fb11c92d7 [0,2,0,0,0,0|1,0,0]=3 11774 B11R0.159 CCCCNCCCC(C)(F)F 7fc1bccafea5735b8edf564f43622920 [0,2,0,0,0,0|1,0,0]=3 11775 B11R0.159 CCCCNCCCC(F)(F)F 263e3d4e5df2f8b137891e9b7a127f29 [0,2,0,0,0,0|2,0,0]=4 11776 B11R0.159 CCCCNCCCS(=O)(=O)C 6a58947d46633fca1184eec4ce313bcc [0,2,0,0,0,0|2,0,0]=4 11777 B11R0.159 CCCCNCCOC(C)(C)C 9763df5df6a0e9a1a4f68e6bf60bcb64 [0,2,0,0,0,0|2,0,0]=4 11778 B11R0.159 CCCCNCCSC(C)(C)C 3c433985b062feadfee8a6f43537d6dc [0,2,0,0,0,0|2,0,0]=4 11779 B11R0.159 CCCCOCC#CC(C)(C)C 29ec1fcba5c807464336d04a192f719e [0,2,0,0,0,0|0,0,2]=4 11780 B11R0.159 CCCCOCCCC(C)(C)C 61986748a402e3522ec08a5e6bfb6584 [0,2,0,0,0,0|0,0,0]=2 11781 B11R0.159 CCCCOCCCC(C)(C)O 44d401817afbf731461e9f1ff64078cd [0,2,0,0,0,0|0,0,0]=2 11782 B11R0.159 CCCCOCCCC(C)(F)F 7613377b8a04bf9b09cfaf829de18e50 [0,2,0,0,0,0|0,0,0]=2 11783 B11R0.159 CCCCOCCCC(F)(F)F 730fbd4cb634b4d0960e79e70b943e86 [0,2,0,0,0,0|1,0,0]=3 11784 B11R0.159 CCCCOCCCS(=O)(=O)C 331cf9a65f00fce0dd3ee6ed9cbd0417 [0,2,0,0,0,0|1,0,0]=3 11785 B11R0.159 CCCCOCCCS(=O)(=O)N 0c82024e505acbe19cac5c586d86ad0a [0,2,0,0,0,0|2,0,0]=4 11786 B11R0.159 CCCCOCCCS(=O)(=O)O 7476988f54d525729e24e76098452d00 [0,2,0,0,0,0|2,0,0]=4 11787 B11R0.159 CCCCOCCNC(C)(C)C 361d7233a769a7c34dc61d6b831094c6 [0,2,0,0,0,0|1,0,0]=3 11788 B11R0.159 CCCCOCCNS(=O)(=O)C 8e7c0d5e549ea1aff23bbeae2784dd95 [0,2,0,0,0,0|2,0,0]=4 11789 B11R0.159 CCCCOCCOC(C)(C)C 1f0079829b32e46fb21d257891918be7 [0,2,0,0,0,0|1,0,0]=3 11790 B11R0.159 CCCCOCCOC(F)(F)F cef16555ac6f64e11df60994a72ccb63 [0,2,0,0,0,0|2,0,0]=4 11791 B11R0.159 CCCCOCCOS(=O)(=O)C aec63c0e45b73395ef005d91d6a66b09 [0,2,0,0,0,0|2,0,0]=4 11792 B11R0.159 CCCCOCCSC(C)(C)C c489928d3f0c6fc95815576af6148378 [0,2,0,0,0,0|1,0,0]=3 11793 B11R0.159 CCCCOCCSS(=O)(=O)C 9963f9e795000792e89d283489a089a8 [0,2,0,0,0,0|2,0,0]=4 11794 B11R0.159 CCCCOCNCC(C)(C)C d7d5b1a0c9a8eb538104d85c72093f4c [0,2,0,0,0,0|1,0,0]=3 11795 B11R0.159 CCCCOCNCC(C)(C)O 1df9b6456ed9defe4ebe59f6d375d161 [0,2,0,0,0,0|1,0,0]=3 11796 B11R0.159 CCCCOCNCC(C)(F)F bc29a2da5e55720ce375b51deaa67d8f [0,2,0,0,0,0|1,0,0]=3 11797 B11R0.159 CCCCOCNCC(F)(F)F f2c17f93e70eabbb9db4e540f58bbcfe [0,2,0,0,0,0|2,0,0]=4 11798 B11R0.159 CCCCOCOCC(C)(C)Br bbaec10a4ba4bf1a8773fbe3699db698 [0,2,0,0,0,0|1,0,0]=3 11799 B11R0.159 CCCCOCOCC(C)(C)C 7a4add8d732d403c04d4cf3a51e78d89 [0,2,0,0,0,0|1,0,0]=3 11800 B11R0.159 CCCCOCOCC(C)(C)F ea9594b53cff4dc1f09572fae38c7fcd [0,2,0,0,0,0|1,0,0]=3 11801 B11R0.159 CCCCOCOCC(C)(C)S f3bcbef008171e8d2f831e150c90cff9 [0,2,0,0,0,0|1,0,0]=3 11802 B11R0.159 CCCCOCOCC(F)(F)Br cf9079b465abdb37c739edb81caebc1b [0,2,0,0,0,0|2,0,0]=4 11803 B11R0.159 CCCOCCCCC(C)(C)C 7e1321c940e388b47974d02411382074 [0,2,0,0,0,0|2,0,0]=4 11804 B11R0.159 CCOCCNCCC(C)(C)C 7b1e0027ecf083e8809cc27495143ca1 [0,2,0,0,0,0|2,0,0]=4 11805 B11R0.159 CCOCCNCCC(C)(C)F d49726d49f744fba739ed7a4ea86c24d [0,2,0,0,0,0|2,0,0]=4 11806 B11R0.159 CCOCCNCCC(C)(C)O 43b26de779eae5fd30e8de2cbcbea4d8 [0,2,0,0,0,0|2,0,0]=4 11807 B11R0.159 CCOCCNCCC(C)(F)F 169d77987947b19057ebc63da41988c9 [0,2,0,0,0,0|2,0,0]=4 11808 B11R0.159 CCOCCOCCC(C)(C)C 7a7d9d0a2099d6accf9f503b73657005 [0,2,0,0,0,0|1,0,0]=3 11809 B11R0.159 CCOCCOCCC(C)(C)O a9b69eb9c2260452d7e06bcb8de2bada [0,2,0,0,0,0|1,0,0]=3 11810 B11R0.159 CCOCCOCCC(C)(C)S 86bf7a9487501b761f8aba4f9d5e4937 [0,2,0,0,0,0|1,0,0]=3 11811 B11R0.159 CCOCCOCCC(C)(F)F 4b735c216b7204c9255ad1e719c720d5 [0,2,0,0,0,0|1,0,0]=3 11812 B11R0.159 CCOCCOCCC(F)(F)F 2424c2a49cb6f61278cec69c0f322657 [0,2,0,0,0,0|2,0,0]=4 11813 B11R0.159 CCOCCOCCS(=N)(=O)C ef78bd4768c74d15c5b94e513216deef [0,2,0,0,0,0|2,0,0]=4 11814 B11R0.159 CCOCCOCCS(=O)(=O)C 71c90d39c5dc87238a365e2d469a6f1a [0,2,0,0,0,0|2,0,0]=4 11815 B11R0.159 CCOCNCCCC(C)(C)C a35857070ca6de859fd6eddb754868d0 [0,2,0,0,0,0|2,0,0]=4 11816 B11R0.159 CCOCNCCCC(C)(C)O 218d4c7128170434cb01c7a20bda6395 [0,2,0,0,0,0|2,0,0]=4 11817 B11R0.159 CCOCOCCCC(C)(C)C 316be4a56ed027ceb4cb596899610534 [0,2,0,0,0,0|1,0,0]=3 11818 B11R0.159 CCOCOCCCC(F)(F)F 0c09bcafeb531e5c75553c75d1c28418 [0,2,0,0,0,0|2,0,0]=4 11819 B11R0.159 CCOCOCCOC(C)(C)C 276387a304962deede4b5c35ab0328c0 [0,2,0,0,0,0|2,0,0]=4 11820 B11R0.159 CCOCOCCSC(C)(C)C f34649bc5a28ca8e24ed64bbed4a5acc [0,2,0,0,0,0|2,0,0]=4 11821 B11R0.159 CCSCCNCCC(C)(C)C 0ea1cf60047ad62534852868c7398b7a [0,2,0,0,0,0|2,0,0]=4 11822 B11R0.159 CCSCCNCCC(C)(C)F 6b2e0e64ea15177adedfdc82f1b6759d [0,2,0,0,0,0|2,0,0]=4 11823 B11R0.159 CCSCCNCCC(C)(C)O d46db14deace1f49ba01e933eec2829a [0,2,0,0,0,0|2,0,0]=4 11824 B11R0.159 CCSCCNCCC(C)(F)F 5aeb613571782d50902028c489eb8f65 [0,2,0,0,0,0|2,0,0]=4 11825 B11R0.159 CCSCCOCCC(C)(C)C 2bd5985e43d1779025e5ddb34e82642a [0,2,0,0,0,0|1,0,0]=3 11826 B11R0.159 CCSCCOCCC(C)(C)O c843f43ade6d61ea18b080254a12fc5b [0,2,0,0,0,0|1,0,0]=3 11827 B11R0.159 CCSCCOCCC(C)(C)S fe1beed8000f498167ba9410fbc9d8d9 [0,2,0,0,0,0|1,0,0]=3 11828 B11R0.159 CCSCCOCCC(C)(F)F 1d3b2591cc0eeb1ef2e9880cbfa9bd25 [0,2,0,0,0,0|1,0,0]=3 11829 B11R0.159 CCSCCOCCC(F)(F)F 383004c3a524202659cd579fc9ebeae7 [0,2,0,0,0,0|2,0,0]=4 11830 B11R0.159 CCSCCOCCS(=N)(=O)C 0ca4748edf9a4a1261643eb07bcd978c [0,2,0,0,0,0|2,0,0]=4 11831 B11R0.159 CCSCCOCCS(=O)(=O)C 998d13d8017193ce0ec171bad0b65aa7 [0,2,0,0,0,0|2,0,0]=4 11832 B11R0.159 COCCCNCCC(C)(C)C e1e68be370a741d158d70f47678622ac [0,2,0,0,0,0|2,0,0]=4 11833 B11R0.159 COCCCNCCC(C)(C)F cca405f70b786dffe1d623197c9dbb16 [0,2,0,0,0,0|2,0,0]=4 11834 B11R0.159 COCCCNCCC(C)(C)O 8d4aaaea548a477d6eb320f8c16f77bd [0,2,0,0,0,0|2,0,0]=4 11835 B11R0.159 COCCCNCCC(C)(F)F 29ab0e76094c0856b582625ff83a26b5 [0,2,0,0,0,0|2,0,0]=4 11836 B11R0.159 COCCCOCCC(C)(C)C 8082934d69dbeb21258dba99caae243f [0,2,0,0,0,0|1,0,0]=3 11837 B11R0.159 COCCCOCCC(C)(C)O b7dd4e7047a1b643f54c899f958b1ab7 [0,2,0,0,0,0|1,0,0]=3 11838 B11R0.159 COCCCOCCC(C)(C)S d8bd20df0b49c8dc7de155a693043f65 [0,2,0,0,0,0|1,0,0]=3 11839 B11R0.159 COCCCOCCC(C)(F)F 972ee7edf252be2966f01184073903b1 [0,2,0,0,0,0|1,0,0]=3 11840 B11R0.159 COCCCOCCC(F)(F)F 84400eaa8e0d023749a088104e7e02ae [0,2,0,0,0,0|2,0,0]=4 11841 B11R0.159 COCCCOCCS(=N)(=O)C 6d2547d0eb7fb7931ce9ca1564c37686 [0,2,0,0,0,0|2,0,0]=4 11842 B11R0.159 COCCCOCCS(=O)(=O)C 2bc14ffafa588af7c03ec27b8c255308 [0,2,0,0,0,0|2,0,0]=4 11843 B11R0.159 COCCNCCCC(C)(C)C 62bf50b0a6798c89243136803b94a4b3 [0,2,0,0,0,0|2,0,0]=4 11844 B11R0.159 COCCNCCCC(C)(C)O 5ce0890afbd5d51c7214815e901ff78d [0,2,0,0,0,0|2,0,0]=4 11845 B11R0.159 COCCNCCCC(C)(F)F 332c4959f176d8cfe46e6bc41f1c95ce [0,2,0,0,0,0|2,0,0]=4 11846 B11R0.159 COCCOCCCC(C)(C)C 0d06596cf3036793fd7f32b376dc4423 [0,2,0,0,0,0|1,0,0]=3 11847 B11R0.159 COCCOCCCC(C)(C)O 4deb0d156be4d1f2c27bc747bd9a24bc [0,2,0,0,0,0|1,0,0]=3 11848 B11R0.159 COCCOCCCC(C)(F)F 9b92e5285a58ff00f397acad4863278c [0,2,0,0,0,0|1,0,0]=3 11849 B11R0.159 COCCOCCCC(F)(F)F d62ab152345919485cbc5b6ce97cb823 [0,2,0,0,0,0|2,0,0]=4 11850 B11R0.159 COCCOCCCS(=O)(=O)C 66aee4d83da1e216722b767df4790e77 [0,2,0,0,0,0|2,0,0]=4 11851 B11R0.159 COCCOCCNC(C)(C)C b56eebd3b75e52ab4a7ff3eb63aa23a9 [0,2,0,0,0,0|2,0,0]=4 11852 B11R0.159 COCCOCCOC(C)(C)C 991d458397d39429da318a012ae47022 [0,2,0,0,0,0|2,0,0]=4 11853 B11R0.159 COCCOCCSC(C)(C)C 50e64a46d5a4e7079418f3b8d0178f84 [0,2,0,0,0,0|2,0,0]=4 11854 B11R0.159 COCCOCNCC(C)(C)C ff754446b3afd1e4ffb5aba995b7923e [0,2,0,0,0,0|2,0,0]=4 11855 B11R0.159 COCCOCNCC(C)(C)O 42f79f86052c7afb784075012fbf7f09 [0,2,0,0,0,0|2,0,0]=4 11856 B11R0.159 COCCOCNCC(C)(F)F 767be4e2e63849a83b5e60cd1c2b724e [0,2,0,0,0,0|2,0,0]=4 11857 B11R0.159 COCCOCOCC(C)(C)Br d0fcd127875018e6f0dc61bedd7ba803 [0,2,0,0,0,0|2,0,0]=4 11858 B11R0.159 COCCOCOCC(C)(C)C 37e233fb090c5082ffa2169d6c5f26c1 [0,2,0,0,0,0|2,0,0]=4 11859 B11R0.159 COCCOCOCC(C)(C)F 65860f23ec88b76fe4dfd2b1609a3c82 [0,2,0,0,0,0|2,0,0]=4 11860 B11R0.159 COCCOCOCC(C)(C)S 9f0dfbfb02f15ca8b7c28a7d0e0119c4 [0,2,0,0,0,0|2,0,0]=4 11861 B11R0.159 COCCOCOCC(C)(F)F bfe1dff50a58fb6445ae2329daf333f4 [0,2,0,0,0,0|2,0,0]=4 11862 B11R0.159 CS(=N)(=O)CCOCCCCF 1c9828d29748ce6f33cd96445aecf470 [0,2,0,0,0,0|2,0,0]=4 11863 B11R0.159 CS(=O)(=O)CCCOCCCF bf25e45bbcaa17ea9ea8d43ce7de2415 [0,2,0,0,0,0|2,0,0]=4 11864 B11R0.159 CS(=O)(=O)CCCOCCCS 78d9650c3fe96ccfaa19bedac9944988 [0,2,0,0,0,0|2,0,0]=4 11865 B11R0.159 CS(=O)(=O)CCOCCCCF 7f6971263d1ed3400d3bc0d1dc57bc34 [0,2,0,0,0,0|2,0,0]=4 11866 B11R0.159 CS(=O)(=O)CCOCCCCS f7c8ed7527d6069a185df73dd3d66400 [0,2,0,0,0,0|2,0,0]=4 11867 B11R0.159 CSCCCNCCC(C)(C)C 27d6b28ce125cb92c8e1485f8b443634 [0,2,0,0,0,0|2,0,0]=4 11868 B11R0.159 CSCCCNCCC(C)(C)F 45f6467aa69f825cfa111b741aaef95f [0,2,0,0,0,0|2,0,0]=4 11869 B11R0.159 CSCCCNCCC(C)(C)O 66da1c23415ae205c651861ff97a27b6 [0,2,0,0,0,0|2,0,0]=4 11870 B11R0.159 CSCCCNCCC(C)(F)F 731266234606760c18d428f25641e149 [0,2,0,0,0,0|2,0,0]=4 11871 B11R0.159 CSCCCOCCC(C)(C)C 19afc4d331fc93e611f515221c37fb52 [0,2,0,0,0,0|1,0,0]=3 11872 B11R0.159 CSCCCOCCC(C)(C)O 7affbc124953a3b3a367276779b408f9 [0,2,0,0,0,0|1,0,0]=3 11873 B11R0.159 CSCCCOCCC(C)(C)S 6943d192d53f55c2394ce009e2820075 [0,2,0,0,0,0|1,0,0]=3 11874 B11R0.159 CSCCCOCCC(C)(F)F 4043435b42062ac174d983e6e71e1766 [0,2,0,0,0,0|1,0,0]=3 11875 B11R0.159 CSCCCOCCC(F)(F)F 6d3b487086d9b44936709f708171f6f6 [0,2,0,0,0,0|2,0,0]=4 11876 B11R0.159 CSCCCOCCS(=N)(=O)C 960f9dda472805ab6d164c1837d4086e [0,2,0,0,0,0|2,0,0]=4 11877 B11R0.159 CSCCCOCCS(=O)(=O)C b99cf07923052e010173908257e98b9c [0,2,0,0,0,0|2,0,0]=4 11878 B11R0.159 CSCCNCCCC(C)(C)C 1af687d345c44b87aca27200509fca44 [0,2,0,0,0,0|2,0,0]=4 11879 B11R0.159 CSCCNCCCC(C)(C)O 83f5135be8a13b9db7a80cc77dac06be [0,2,0,0,0,0|2,0,0]=4 11880 B11R0.159 CSCCNCCCC(C)(F)F d6bc7ef83a278833f1ad4495f53ad634 [0,2,0,0,0,0|2,0,0]=4 11881 B11R0.159 CSCCOCCCC(C)(C)C 271a6fc5165000759082187d86da5403 [0,2,0,0,0,0|1,0,0]=3 11882 B11R0.159 CSCCOCCCC(C)(C)O da636bdad159df0c717f6147901f597a [0,2,0,0,0,0|1,0,0]=3 11883 B11R0.159 CSCCOCCCC(C)(F)F 7a6c74a88a383abb1cd1483a74d372ca [0,2,0,0,0,0|1,0,0]=3 11884 B11R0.159 CSCCOCCCC(F)(F)F 998c9fc5fd5ae0b49ba5ec2f9f60c933 [0,2,0,0,0,0|2,0,0]=4 11885 B11R0.159 CSCCOCCCS(=O)(=O)C b89b5a7fa2d9c3da9cf614401d845234 [0,2,0,0,0,0|2,0,0]=4 11886 B11R0.159 CSCCOCCOC(C)(C)C 9d102c1330c3e4ba91c8de5d0d7ac3de [0,2,0,0,0,0|2,0,0]=4 11887 B11R0.159 CSCCOCCSC(C)(C)C 06093579aad552ea94019c8d0f5d505d [0,2,0,0,0,0|2,0,0]=4 11888 B11R0.159 FC(F)(F)CCCOCCCS da980850d0ebbc1dd7d5317e9f344ecd [0,2,0,0,0,0|2,0,0]=4 11889 B11R0.159 FC(F)(F)CCOCCCCS 2cec6ecd4b7732df724b465d86c975e3 [0,2,0,0,0,0|2,0,0]=4 11890 B11R0.159 FCCCCOCCC(F)(F)F bf3aa0a9c86da734fe560e326ad2eaf6 [0,2,0,0,0,0|2,0,0]=4 11891 B11R0.159 FCCCOCCCC(F)(F)F 29deabf228aac3fd3cc9625282198a5a [0,2,0,0,0,0|2,0,0]=4 11892 B11R0.3 C#CCCCCCCCOCC 84ce53283c4b9755ed2326be390434c8 [0,2,0,0,0,0|1,0,1]=4 11893 B11R0.3 C#CCCCCCCNCCC 02da07847a079ff299b9865ceb96b409 [0,2,0,0,0,0|1,0,1]=4 11894 B11R0.3 C#CCCCCCCOCCC cfdd8580ef8f82280382a14788d2344e [0,2,0,0,0,0|1,0,1]=4 11895 B11R0.3 C#CCCCCCNCCCC 317388423a1cee18f11a7bca718dd97c [0,2,0,0,0,0|1,0,0]=3 11896 B11R0.3 C#CCCCCCNCCCCl 679996a8d590b5e0b276e67e056c5989 [0,2,0,0,0,0|2,0,0]=4 11897 B11R0.3 C#CCCCCCNCCCF 64a2aeb8430d2737b1d6b1ee798eadf5 [0,2,0,0,0,0|2,0,0]=4 11898 B11R0.3 C#CCCCCCNCCCO 1eba49163862adb40420a43efadeacd2 [0,2,0,0,0,0|2,0,0]=4 11899 B11R0.3 C#CCCCCCNCCCS f0e06b4e5917323952600a5ee4bd10aa [0,2,0,0,0,0|2,0,0]=4 11900 B11R0.3 C#CCCCCCNCCOC e4e85058e8ae762833fcf1260c1a2df2 [0,2,0,0,0,0|2,0,0]=4 11901 B11R0.3 C#CCCCCCNCCSC 9b26aa7abb83ef6f6e196256870e655b [0,2,0,0,0,0|2,0,0]=4 11902 B11R0.3 C#CCCCCCNCOCC 0e5c7afb3d466b28f021ab1c2d98646a [0,2,0,0,0,0|2,0,0]=4 11903 B11R0.3 C#CCCCCCOC/C=C/C b380d8f5533c35454ea37f0220552014 [0,2,0,0,0,0|0,0,2]=4 11904 B11R0.3 C#CCCCCCOC/C=C\C 8ae342046da4a13045cf5a89c2bbe52c [0,2,0,0,0,0|0,0,2]=4 11905 B11R0.3 C#CCCCCCOCC#CC 085e90ce294da447cda9d5cb5b0fc09f [0,2,0,0,0,0|0,0,2]=4 11906 B11R0.3 C#CCCCCCOCC=CC a372c2e152d84b2f066347f13f1bcbd6 [0,2,0,0,0,0|0,0,2]=4 11907 B11R0.3 C#CCCCCCOCCC#C 5c1691196f19cb12624e8ff1070fdb58 [0,2,0,0,0,0|0,0,2]=4 11908 B11R0.3 C#CCCCCCOCCC#N f8db7be70bd791ca14b35519cb5bd293 [0,2,0,0,0,0|1,0,1]=4 11909 B11R0.3 C#CCCCCCOCCC=C c34b48fb7aa2647040479b5e3f6bd75e [0,2,0,0,0,0|0,0,2]=4 11910 B11R0.3 C#CCCCCCOCCC=O f0596342481e78986acec51e324041c8 [0,2,0,0,0,0|1,0,1]=4 11911 B11R0.3 C#CCCCCCOCCCC a6767e3572e039246806d7c1f4ab452e [0,2,0,0,0,0|0,0,0]=2 11912 B11R0.3 C#CCCCCCOCCCF 3737035aa02dbf3821702ac64dfccbc7 [0,2,0,0,0,0|1,0,0]=3 11913 B11R0.3 C#CCCCCCOCCCS dffa93c2d76a1047f8666e7f803e4ce9 [0,2,0,0,0,0|1,0,0]=3 11914 B11R0.3 C#CCCCCCOCCOC 8ab1eab13ad52fa9c4a988a8574372c2 [0,2,0,0,0,0|1,0,0]=3 11915 B11R0.3 C#CCCCCCOCCSC b08824b6aa4e80223d7dab19a68fd891 [0,2,0,0,0,0|1,0,0]=3 11916 B11R0.3 C#CCCCCCOCOCC 74b39527b6a475a760f799b13755bb01 [0,2,0,0,0,0|1,0,0]=3 11917 B11R0.3 C#CCCCCNCCCCC 0310083451d131dce1267280bc7baa38 [0,2,0,0,0,0|1,0,0]=3 11918 B11R0.3 C#CCCCCNCCCCCl c25258e9d0ac9036ea15491a7cfe0481 [0,2,0,0,0,0|1,0,1]=4 11919 B11R0.3 C#CCCCCNCCCCF cffc83969a87f56d8ca43ac285ff5237 [0,2,0,0,0,0|1,0,1]=4 11920 B11R0.3 C#CCCCCNCCCCO 6c3da295e8357724cc114ba02e8018b0 [0,2,0,0,0,0|1,0,1]=4 11921 B11R0.3 C#CCCCCNCCCCS 9deb34c4e711be846eb30ed53dcd4d74 [0,2,0,0,0,0|1,0,1]=4 11922 B11R0.3 C#CCCCCNCCCOC 3a6d32d857f33d316f7e9d09c6509c44 [0,2,0,0,0,0|1,0,1]=4 11923 B11R0.3 C#CCCCCNCCCSC 01c5a640cc2f1b68ca92b741a5ee9a61 [0,2,0,0,0,0|1,0,1]=4 11924 B11R0.3 C#CCCCCNCCOCC b37d6045eedbfe5a813d953a914e27cd [0,2,0,0,0,0|1,0,1]=4 11925 B11R0.3 C#CCCCCNCCSCC 12133f52f45ec26d562a02b74ed5cca0 [0,2,0,0,0,0|1,0,1]=4 11926 B11R0.3 C#CCCCCOC/C=C/CC e59a87ddfb4986ee1722bfdf044974fb [0,2,0,0,0,0|0,0,2]=4 11927 B11R0.3 C#CCCCCOC/C=C\CC f91f7f045c232e729b90d067d873a275 [0,2,0,0,0,0|0,0,2]=4 11928 B11R0.3 C#CCCCCOCC#CCC ec8d1576bb9abed88d52d778356f68c5 [0,2,0,0,0,0|0,0,2]=4 11929 B11R0.3 C#CCCCCOCC/C=C/C 6d815be9f97f1c5605c6c625784cb8ae [0,2,0,0,0,0|0,0,2]=4 11930 B11R0.3 C#CCCCCOCCC#CC 12b721cbb72a3b0d6fe94842bbbb3c62 [0,2,0,0,0,0|0,0,2]=4 11931 B11R0.3 C#CCCCCOCCCC#C 9a8ab24be382bc1306ae3539c9f6373b [0,2,0,0,0,0|0,0,2]=4 11932 B11R0.3 C#CCCCCOCCCC#N d4ac063b1961d0dfabf6eab9bb584d48 [0,2,0,0,0,0|0,0,2]=4 11933 B11R0.3 C#CCCCCOCCCC=C a03d2adcfe5cc166a9a5971776734f19 [0,2,0,0,0,0|0,0,2]=4 11934 B11R0.3 C#CCCCCOCCCC=O ab1598c1293389c129e412c390018b05 [0,2,0,0,0,0|0,0,2]=4 11935 B11R0.3 C#CCCCCOCCCCC ba6b4fc782757cd8d61e8f834b449a1f [0,2,0,0,0,0|0,0,0]=2 11936 B11R0.3 C#CCCCCOCCCCF 5418ac7cebea91ebe66ef6bcc7a349f4 [0,2,0,0,0,0|0,0,1]=3 11937 B11R0.3 C#CCCCCOCCCCS 211a0e674f1e8b13a177450ec58ae18f [0,2,0,0,0,0|0,0,1]=3 11938 B11R0.3 C#CCCCCOCCCOC 54d3b91cde96a29620f2e6ee016cd8c1 [0,2,0,0,0,0|0,0,1]=3 11939 B11R0.3 C#CCCCCOCCCSC 52703e760cebe02ce379d33265db81c5 [0,2,0,0,0,0|0,0,1]=3 11940 B11R0.3 C#CCCCCOCCOCC b988c3709a61d24e34aa0923a74c6099 [0,2,0,0,0,0|0,0,1]=3 11941 B11R0.3 C#CCCCCOCCSCC 7927b442781266a979226807150f8f46 [0,2,0,0,0,0|0,0,1]=3 11942 B11R0.3 C#CCCCNCCCCCC 531b173f97d1ee6660bf9138ec42ec62 [0,2,0,0,0,0|1,0,1]=4 11943 B11R0.3 C#CCCCNCCCCCCl 9d448ae3077c6800a18ef4a0b0519ab6 [0,2,0,0,0,0|1,0,1]=4 11944 B11R0.3 C#CCCCNCCCCCF 2cad2d0d39f577bd2ea6e5742e575bfc [0,2,0,0,0,0|1,0,1]=4 11945 B11R0.3 C#CCCCNCCCCCO 7d62c9df2fa373b4cccdfaacd97ac426 [0,2,0,0,0,0|1,0,1]=4 11946 B11R0.3 C#CCCCNCCCCOC b1f26c9f705b51c3bb0c51c6bad097ed [0,2,0,0,0,0|1,0,1]=4 11947 B11R0.3 C#CCCCNCCCCSC fbd5e1883ef9d5cc4897ed0a6755bf18 [0,2,0,0,0,0|1,0,1]=4 11948 B11R0.3 C#CCCCNCCCOCC 59911b1ee93c5fd7835f70845515d587 [0,2,0,0,0,0|1,0,1]=4 11949 B11R0.3 C#CCCCNCCCSCC 38a919e4b0c8dd8305f0ebe16f37e322 [0,2,0,0,0,0|1,0,1]=4 11950 B11R0.3 C#CCCCNCCOCCC a5599bd03674214641ba671f6af6c61d [0,2,0,0,0,0|1,0,1]=4 11951 B11R0.3 C#CCCCNCOCCCC 72755174f7e511855b051980957f6b03 [0,2,0,0,0,0|0,0,1]=3 11952 B11R0.3 C#CCCCNCOCCOC 4acd752528c18fe5053cc1c073728a95 [0,2,0,0,0,0|1,0,1]=4 11953 B11R0.3 C#CCCCOC/C=C/CCC 80be723b2fc1972f45ecec5218990ee1 [0,2,0,0,0,0|0,0,2]=4 11954 B11R0.3 C#CCCCOC/C=C\CCC a6936189a2d1024a1680951916e222f4 [0,2,0,0,0,0|0,0,2]=4 11955 B11R0.3 C#CCCCOCC#CCCC f742d27ea0b10f0b328486b8bc7599ad [0,2,0,0,0,0|0,0,2]=4 11956 B11R0.3 C#CCCCOCC/C=C/CC 6bc38f56792f3234470150204fc3bfef [0,2,0,0,0,0|0,0,2]=4 11957 B11R0.3 C#CCCCOCC/C=C\CC 9b65faf9da063b37e8c4f0e66f4e1b83 [0,2,0,0,0,0|0,0,2]=4 11958 B11R0.3 C#CCCCOCCC#CCC b2a24b43903189f2cddde9a38104f0ed [0,2,0,0,0,0|0,0,2]=4 11959 B11R0.3 C#CCCCOCCC/C=C/C 161d5048045ec8c345fcb227a59e5c0a [0,2,0,0,0,0|0,0,2]=4 11960 B11R0.3 C#CCCCOCCC/C=C\C 75ea27e79b5d11cb9b0722637af16ffc [0,2,0,0,0,0|0,0,2]=4 11961 B11R0.3 C#CCCCOCCCC#CC 917c3b187554579d1fe498155417b831 [0,2,0,0,0,0|0,0,2]=4 11962 B11R0.3 C#CCCCOCCCC=CC 3eac7e9780e12ddea3e0ca78873ca287 [0,2,0,0,0,0|0,0,2]=4 11963 B11R0.3 C#CCCCOCCCCC#N c5fb8df2a1a15b4ce5e6d505ecfb8ec6 [0,2,0,0,0,0|0,0,2]=4 11964 B11R0.3 C#CCCCOCCCCC=C 491bfdba7b72c8aaf7a59bd18e48aa8a [0,2,0,0,0,0|0,0,2]=4 11965 B11R0.3 C#CCCCOCCCCC=O 211c2ef4b3739ed5a2ffffbcbe2e5990 [0,2,0,0,0,0|0,0,2]=4 11966 B11R0.3 C#CCCCOCCCCCC dcee40ff53ac67443eba7b05c5d90c94 [0,2,0,0,0,0|0,0,1]=3 11967 B11R0.3 C#CCCCOCCCCCF f651a2509bee3558e68dc9f82aa8e8ce [0,2,0,0,0,0|0,0,1]=3 11968 B11R0.3 C#CCCCOCCCCOC 995d579cbc8b95c4a7debc1ec00f5c0a [0,2,0,0,0,0|0,0,1]=3 11969 B11R0.3 C#CCCCOCCCCSC 0f11f3db22f7b893a2e6523f53d75ac4 [0,2,0,0,0,0|0,0,1]=3 11970 B11R0.3 C#CCCCOCCCOCC 5a68a384b6d92fbee6a20d1a00025b22 [0,2,0,0,0,0|0,0,1]=3 11971 B11R0.3 C#CCCCOCCCSCC 80725744747107ca066730f8bd321ceb [0,2,0,0,0,0|0,0,1]=3 11972 B11R0.3 C#CCCCOCCOCCC 6bb481428b8a96fed2582a631efdb162 [0,2,0,0,0,0|0,0,1]=3 11973 B11R0.3 C#CCCCOCCOCCF d351b2d5f2388f3efa6ae3c4d6faf3b8 [0,2,0,0,0,0|0,0,2]=4 11974 B11R0.3 C#CCCCOCCOCCS ad9d7ec332e53317ea0e5be322114244 [0,2,0,0,0,0|0,0,2]=4 11975 B11R0.3 C#CCCCOCCOCOC 74f719630d09c149e35b10e940b4a2ed [0,2,0,0,0,0|0,0,2]=4 11976 B11R0.3 C#CCCCOCCSCCC 48a28934c76f841a90d4a58bd59c7c42 [0,2,0,0,0,0|0,0,1]=3 11977 B11R0.3 C#CCCCOCOCCCC a35a5c111f7d3dad92064d4eb69ec23c [0,2,0,0,0,0|0,0,1]=3 11978 B11R0.3 C#CCCCOCOCCOC abe8ba0119e4569c80965df9315d910b [0,2,0,0,0,0|0,0,2]=4 11979 B11R0.3 C#CCCNCCCCCCC 4e70e9fe06a7b5399ee0c8f864839780 [0,2,0,0,0,0|1,0,1]=4 11980 B11R0.3 C#CCCNCCOCCCC 5f7751c9470dfb25b6cfbea31762193e [0,2,0,0,0,0|0,0,1]=3 11981 B11R0.3 C#CCCNCCOCCCO 3215a27c9ab82002eb03d15a5e0a1ce9 [0,2,0,0,0,0|1,0,1]=4 11982 B11R0.3 C#CCCNCCOCCOC d2bbc09a55c8812403a0fb5e4e0977c2 [0,2,0,0,0,0|1,0,1]=4 11983 B11R0.3 C#CCCOC/C=C/CCCC e36bcd7141e7e6f419c633e6d3a1de79 [0,2,0,0,0,0|0,0,2]=4 11984 B11R0.3 C#CCCOC/C=C\CCCC 6ef125de561e0c85d8e6450c4c8ef4cd [0,2,0,0,0,0|0,0,2]=4 11985 B11R0.3 C#CCCOCC#CCCCC 284edc0364ae403868bbd3a8ed957839 [0,2,0,0,0,0|0,0,2]=4 11986 B11R0.3 C#CCCOCC/C=C\CCC 44b3e58daa060baec9242e9776838a8f [0,2,0,0,0,0|0,0,2]=4 11987 B11R0.3 C#CCCOCCC#CCCC 6f352e52e3e3ee8bf37c7d913fdd969b [0,2,0,0,0,0|0,0,2]=4 11988 B11R0.3 C#CCCOCCC/C=C\CC 0ce8e18b36b20c77e6c9ef977f962bae [0,2,0,0,0,0|0,0,2]=4 11989 B11R0.3 C#CCCOCCCCCC#N 4c511008f5e9c488e1c1f9fed3a5507e [0,2,0,0,0,0|0,0,2]=4 11990 B11R0.3 C#CCCOCCCCCC=C 151860c5f7e4ce4358f8101f7df555e6 [0,2,0,0,0,0|0,0,2]=4 11991 B11R0.3 C#CCCOCCCCCC=O 4c0b83251d077ad9531babbf8d30eb8a [0,2,0,0,0,0|0,0,2]=4 11992 B11R0.3 C#CCCOCCCCCCC b9739655913e528f6ed1685dee2f31af [0,2,0,0,0,0|0,0,2]=4 11993 B11R0.3 C#CCCOCCCCCCF dee995c3dfd395c1e8695b162ef5c982 [0,2,0,0,0,0|0,0,2]=4 11994 B11R0.3 C#CCCOCCCCCCS 863f46e850a441c31437b2ec87524f00 [0,2,0,0,0,0|0,0,2]=4 11995 B11R0.3 C#CCCOCCCCCOC 2610892b4a34261cc4369081e1ed7bf2 [0,2,0,0,0,0|0,0,2]=4 11996 B11R0.3 C#CCCOCCCOCCC 11d38e1e475522301534556f10f67d1b [0,2,0,0,0,0|0,0,2]=4 11997 B11R0.3 C#CCCOCCOCCCC 1715a22002e94d589372aac0e03292fd [0,2,0,0,0,0|0,0,1]=3 11998 B11R0.3 C#CCCOCCOCCOC fdddd43227b4bbc67967bbca3364c895 [0,2,0,0,0,0|0,0,2]=4 11999 B11R0.3 C#CCCOCCSCCCC f7d87ceb6a98a93f1c82fa08f6b2980a [0,2,0,0,0,0|0,0,2]=4 12000 B11R0.3 C#CCNCCCCCCCC 6db1cd8462905f563e8ab10b0421f056 [0,2,0,0,0,0|1,0,1]=4 12001 B11R0.3 C#CCNCCCOCCCC 0b7981f647de1c68db850575cc1dd8fc [0,2,0,0,0,0|0,0,1]=3 12002 B11R0.3 C#CCNCCCOCCCO 7075ffb679b5d1c87f8f66dbfdfb7b0b [0,2,0,0,0,0|1,0,1]=4 12003 B11R0.3 C#CCNCCCOCCOC a82652eb1211cbc2baed2f0ec2f8fb05 [0,2,0,0,0,0|1,0,1]=4 12004 B11R0.3 C#CCNCCCOCCSC bf948252f464fb7bfb17d6a0c85f1317 [0,2,0,0,0,0|1,0,1]=4 12005 B11R0.3 C#CCNCCOCCOCC 618c96c8c628178b16ad708474076d78 [0,2,0,0,0,0|0,0,2]=4 12006 B11R0.3 C#CCOCCCCCCCC a677fe3a66a8bcd20ef936d9631eff5c [0,2,0,0,0,0|1,0,1]=4 12007 B11R0.3 C#CCOCCCOCCCC 76a454cf99fca42df0beb6057f9a3cda [0,2,0,0,0,0|0,0,1]=3 12008 B11R0.3 C#CCOCCCOCCCF d60dc0c44b3d4e08f9f81a0d5d3f5962 [0,2,0,0,0,0|1,0,1]=4 12009 B11R0.3 C#CCOCCCOCCCS bb2585af30ba289aa62541db104535d9 [0,2,0,0,0,0|1,0,1]=4 12010 B11R0.3 C#CCOCCCOCCOC cd7ef6d58feb18dbbc19e8043e4af8e1 [0,2,0,0,0,0|1,0,1]=4 12011 B11R0.3 C#CCOCCCOCCSC 68c6104ab253309028bb6f2b12ff3f5c [0,2,0,0,0,0|1,0,1]=4 12012 B11R0.3 C#CCOCCCOCOCC 3ff443448b0386545fd01998cbf6344d [0,2,0,0,0,0|1,0,1]=4 12013 B11R0.3 C#CCOCCNCCCCC 6b5f5eeb192e84373ea9e80697d2b0e1 [0,2,0,0,0,0|1,0,1]=4 12014 B11R0.3 C#CCOCCOCCCCC 85002d36e7b9a526ff52d121ed087c8e [0,2,0,0,0,0|0,0,1]=3 12015 B11R0.3 C#CCOCCOCCCCF 205fbe57ea3acd47230c6e96a8569e15 [0,2,0,0,0,0|0,0,2]=4 12016 B11R0.3 C#CCOCCOCCCCS 1ad1f5be27fbda26df78604d6be78cd5 [0,2,0,0,0,0|0,0,2]=4 12017 B11R0.3 C#CCOCCOCCCOC 343ac3e5c376d8d08f3a0043a4374ce0 [0,2,0,0,0,0|0,0,2]=4 12018 B11R0.3 C#CCOCCOCCCSC 4fe01e806cbf292a4a8ad666d4af4c86 [0,2,0,0,0,0|0,0,2]=4 12019 B11R0.3 C#CCOCCOCCNCC 3fafd8f09362d4151a05c76eefe255bd [0,2,0,0,0,0|0,0,2]=4 12020 B11R0.3 C#CCOCCOCCOCC 2e1f74538bf6a97afcf92e56d8b5cfab [0,2,0,0,0,0|0,0,2]=4 12021 B11R0.3 C#CCOCCOCCSCC 9f0d255cf794ed530559aadce11af855 [0,2,0,0,0,0|0,0,2]=4 12022 B11R0.3 C/C=C/C=C/COCCCCC 2667a603d2690530aadc1c08dc0a0108 [0,2,0,0,0,0|0,0,2]=4 12023 B11R0.3 C/C=C/CCCOC/C=C/CC f60ba0ca7f4a653f0f0e5278ba414d9e [0,2,0,0,0,0|0,0,2]=4 12024 B11R0.3 C/C=C/CCCOCC#CCC 13339de0cf659436df1f763d0b76c0ef [0,2,0,0,0,0|0,0,2]=4 12025 B11R0.3 C/C=C/CCCOCCCC#N abcbf7c98fa8b468b9877435f77758aa [0,2,0,0,0,0|0,0,2]=4 12026 B11R0.3 C/C=C/CCCOCCCC=O 7bcb0e0439cb2196243206e1ea6c159e [0,2,0,0,0,0|0,0,2]=4 12027 B11R0.3 C/C=C/CCCOCCCCC 14c1074a961f91af4aaf5acad9119f1f [0,2,0,0,0,0|0,0,0]=2 12028 B11R0.3 C/C=C/CCCOCCCCF c3d208be8db41d95c35a33fda102de5e [0,2,0,0,0,0|0,0,1]=3 12029 B11R0.3 C/C=C/CCCOCCCOC 3a4f825abc72183e22983d4979ded2f5 [0,2,0,0,0,0|0,0,1]=3 12030 B11R0.3 C/C=C/CCCOCCCSC d741b6d70a653a3a62f2d4c27b0b41ff [0,2,0,0,0,0|0,0,1]=3 12031 B11R0.3 C/C=C/CCCOCCOCC 92d5ac8360d230f0a32b3d9f7dade573 [0,2,0,0,0,0|0,0,1]=3 12032 B11R0.3 C/C=C/CCCOCCSCC 5a6e5c4cfd3c82c37d45c31cfe9f101f [0,2,0,0,0,0|0,0,1]=3 12033 B11R0.3 C/C=C/CCOC/C=C/CCC c3a5d45e20c7170eb5dcd1bf8fa2a8e4 [0,2,0,0,0,0|0,0,2]=4 12034 B11R0.3 C/C=C/CCOC/C=C\CCC 9c0300e018f1806e56fbb809428691a0 [0,2,0,0,0,0|0,0,2]=4 12035 B11R0.3 C/C=C/CCOCC/C=C\CC 130e75a457431060e807634c54ca368d [0,2,0,0,0,0|0,0,2]=4 12036 B11R0.3 C/C=C/CCOCCCCC#N 796d781fa11b2fd85a28c8066fcb4158 [0,2,0,0,0,0|0,0,2]=4 12037 B11R0.3 C/C=C/CCOCCCCC=O 6101818191c9a7a26ef7914bc4455eae [0,2,0,0,0,0|0,0,2]=4 12038 B11R0.3 C/C=C/CCOCCCCCC 8c3ad0457a3e830872c3530027a04f1e [0,2,0,0,0,0|0,0,1]=3 12039 B11R0.3 C/C=C/CCOCCCCCF 1351101f156f8c0be07783881d1b6552 [0,2,0,0,0,0|0,0,1]=3 12040 B11R0.3 C/C=C/CCOCCCCOC 7eab6318d4c4f34b3d7bc453d9d7c83d [0,2,0,0,0,0|0,0,1]=3 12041 B11R0.3 C/C=C/CCOCCCOCC fdc811273c0e543c1c03d0073348d15c [0,2,0,0,0,0|0,0,1]=3 12042 B11R0.3 C/C=C/CCOCCCSCC 233d5dc54459c9f00777362a9186fdf0 [0,2,0,0,0,0|0,0,1]=3 12043 B11R0.3 C/C=C/CCOCCOCCC a5decf07d0d665515de5eb297b041e0f [0,2,0,0,0,0|0,0,1]=3 12044 B11R0.3 C/C=C/CCOCCOCOC 7b581d7b0a43d1f22349e6f8370b53bd [0,2,0,0,0,0|0,0,2]=4 12045 B11R0.3 C/C=C/CCOCOCCCC 880fa0d859b270b91639d54ad3385d96 [0,2,0,0,0,0|0,0,1]=3 12046 B11R0.3 C/C=C/CCOCOCCOC 993bd6f15c3022e40b5bbf8f7c3907ac [0,2,0,0,0,0|0,0,2]=4 12047 B11R0.3 C/C=C/CNCCCCCCC af0fdf38ebb307486bc264784ccd3c83 [0,2,0,0,0,0|1,0,1]=4 12048 B11R0.3 C/C=C/CNCCOCCCC b736d09acc5aa61b1d441f965f64d7e3 [0,2,0,0,0,0|0,0,1]=3 12049 B11R0.3 C/C=C/CNCCOCCCO a584f2e6ab14c51c8887ffec414fe73b [0,2,0,0,0,0|1,0,1]=4 12050 B11R0.3 C/C=C/CNCCOCCOC 16b698d7a1884dca79a07adeb09f034d [0,2,0,0,0,0|1,0,1]=4 12051 B11R0.3 C/C=C/COC/C=C/CCCC 6791458559744f617330917b57e65fa6 [0,2,0,0,0,0|0,0,2]=4 12052 B11R0.3 C/C=C/COC/C=C\CCCC cbe923abdb2ab2c2bca7211f33b38b61 [0,2,0,0,0,0|0,0,2]=4 12053 B11R0.3 C/C=C/COCC#CCCCC 7ede648790ee71e32fe0fd857b1bfeab [0,2,0,0,0,0|0,0,2]=4 12054 B11R0.3 C/C=C/COCC/C=C\CCC 7d6e9da0a9a27d0acc15bcd406feb55b [0,2,0,0,0,0|0,0,2]=4 12055 B11R0.3 C/C=C/COCCC#CCCC a57adc1b4d78b5bf6aaa12e6dffc021e [0,2,0,0,0,0|0,0,2]=4 12056 B11R0.3 C/C=C/COCCC/C=C\CC ac0f77a7991921eea704a62a28f6be03 [0,2,0,0,0,0|0,0,2]=4 12057 B11R0.3 C/C=C/COCCCCCC#N 958ae36a52b2cbfd2eaa25203d9189dc [0,2,0,0,0,0|0,0,2]=4 12058 B11R0.3 C/C=C/COCCCCCC=O d4e9745163301d7b8e112f407d05beae [0,2,0,0,0,0|0,0,2]=4 12059 B11R0.3 C/C=C/COCCCCCCC 67d80454e207dd5a1825d1eef2cf7e69 [0,2,0,0,0,0|0,0,2]=4 12060 B11R0.3 C/C=C/COCCCCCCF 1a83c2bed2ad66d92855e620e549b963 [0,2,0,0,0,0|0,0,2]=4 12061 B11R0.3 C/C=C/COCCCCCCS 091b149c628486ec939ef6d344ea17f0 [0,2,0,0,0,0|0,0,2]=4 12062 B11R0.3 C/C=C/COCCCCCOC 821ccc7dd348e6635dabc1d0b02e8427 [0,2,0,0,0,0|0,0,2]=4 12063 B11R0.3 C/C=C/COCCCOCCC 49a571a1d37953227778623e379bf76b [0,2,0,0,0,0|0,0,2]=4 12064 B11R0.3 C/C=C/COCCOCCCC 613aa2fbbaf38c5f6c5da720bf3ad544 [0,2,0,0,0,0|0,0,1]=3 12065 B11R0.3 C/C=C/COCCOCCOC fd88132761db0d1d4c4c649210b17bc0 [0,2,0,0,0,0|0,0,2]=4 12066 B11R0.3 C/C=C/COCCSCCCC 94c77a7ffbcdab0701d8a6f37710c09f [0,2,0,0,0,0|0,0,2]=4 12067 B11R0.3 C/C=C\CCCNCCCCC 5e500be2c9b395f6ca28a4341df00076 [0,2,0,0,0,0|1,0,0]=3 12068 B11R0.3 C/C=C\CCCNCCCCCl 8a16492022d0d34cdf7a98d49487d8b7 [0,2,0,0,0,0|1,0,1]=4 12069 B11R0.3 C/C=C\CCCNCCCCO 5dacd7c8214b914449a51fec0c6766c5 [0,2,0,0,0,0|1,0,1]=4 12070 B11R0.3 C/C=C\CCCNCCCCS b3ba3b17fa034670ae2f3739c72d7654 [0,2,0,0,0,0|1,0,1]=4 12071 B11R0.3 C/C=C\CCCNCCCOC dd1c76efd06cc3656ac973ea2704eacc [0,2,0,0,0,0|1,0,1]=4 12072 B11R0.3 C/C=C\CCCNCCCSC ee9691825f7b18cc20639a59c2566750 [0,2,0,0,0,0|1,0,1]=4 12073 B11R0.3 C/C=C\CCCNCCOCC 104603df3015dc642dc829ff5f89607e [0,2,0,0,0,0|1,0,1]=4 12074 B11R0.3 C/C=C\CCCNCCSCC e02da7ca95d8c0aaf76ff0d7ca13fef8 [0,2,0,0,0,0|1,0,1]=4 12075 B11R0.3 C/C=C\CCCOC/C=C/CC 46fd824f62ded9cde8e6ce13aaed782e [0,2,0,0,0,0|0,0,2]=4 12076 B11R0.3 C/C=C\CCCOC/C=C\CC bd67041b899a2d720f48f667feb7725c [0,2,0,0,0,0|0,0,2]=4 12077 B11R0.3 C/C=C\CCCOCC#CCC 0a8fada39e5902e7dfa43556e4ecfeaf [0,2,0,0,0,0|0,0,2]=4 12078 B11R0.3 C/C=C\CCCOCC/C=C/C 42345fcfbbb0ac9d6d5970abf0c29ed9 [0,2,0,0,0,0|0,0,2]=4 12079 B11R0.3 C/C=C\CCCOCCCC#N 6f5d5585fcfd45074bf4ed0a4ec7770b [0,2,0,0,0,0|0,0,2]=4 12080 B11R0.3 C/C=C\CCCOCCCC=O 07250c98eb751e21f337b02d3011f463 [0,2,0,0,0,0|0,0,2]=4 12081 B11R0.3 C/C=C\CCCOCCCCC 568202d36daaca9382cf0b6e7e3d1686 [0,2,0,0,0,0|0,0,0]=2 12082 B11R0.3 C/C=C\CCCOCCCCF 87f0406158293e2114d644243474da48 [0,2,0,0,0,0|0,0,1]=3 12083 B11R0.3 C/C=C\CCCOCCCCS 4f50bf57cd2bf8111fac7f3b22e70e22 [0,2,0,0,0,0|0,0,1]=3 12084 B11R0.3 C/C=C\CCCOCCCOC 41e47d31706bf2ffd12f03c2ed5b70f8 [0,2,0,0,0,0|0,0,1]=3 12085 B11R0.3 C/C=C\CCCOCCCSC f6c57e7d79ca791f4588dd59d5983b6c [0,2,0,0,0,0|0,0,1]=3 12086 B11R0.3 C/C=C\CCCOCCOCC e40540c0f9d013327719429de36d873d [0,2,0,0,0,0|0,0,1]=3 12087 B11R0.3 C/C=C\CCCOCCSCC 9d54ae9f17be547b2cfeba2dc2e8da68 [0,2,0,0,0,0|0,0,1]=3 12088 B11R0.3 C/C=C\CNCCCCCCC 9dd75a327d2457b018c6d50d1310b411 [0,2,0,0,0,0|1,0,1]=4 12089 B11R0.3 C/C=C\CNCCOCCCC 90aa24a0ee845094b428a15c1ff000c0 [0,2,0,0,0,0|0,0,1]=3 12090 B11R0.3 C/C=C\CNCCOCCCO 4097cb1cfbd517af39bfd8c87c9ab1bd [0,2,0,0,0,0|1,0,1]=4 12091 B11R0.3 C/C=C\CNCCOCCOC 98e3eea0ce3c9812d8acefe6be9bf01b [0,2,0,0,0,0|1,0,1]=4 12092 B11R0.3 C/C=C\COC/C=C/CCCC d51e5ce76d936248fd30e9d37543e252 [0,2,0,0,0,0|0,0,2]=4 12093 B11R0.3 C/C=C\COC/C=C\CCCC ef279e85e97bbcea2cd64885fad8abff [0,2,0,0,0,0|0,0,2]=4 12094 B11R0.3 C/C=C\COCC#CCCCC 972f7261a5fe48889d3c0b93fa1043b5 [0,2,0,0,0,0|0,0,2]=4 12095 B11R0.3 C/C=C\COCC/C=C\CCC 6328a8fb0d95287ded05b4372d798fa0 [0,2,0,0,0,0|0,0,2]=4 12096 B11R0.3 C/C=C\COCCC#CCCC a314447d1b3d9890e53f6e3335936d43 [0,2,0,0,0,0|0,0,2]=4 12097 B11R0.3 C/C=C\COCCC/C=C\CC 1c4efa5a529a4137db3baf4477fc7535 [0,2,0,0,0,0|0,0,2]=4 12098 B11R0.3 C/C=C\COCCCCCC#N c2d9a825685979ffc7f548416fe12ba5 [0,2,0,0,0,0|0,0,2]=4 12099 B11R0.3 C/C=C\COCCCCCC=O 561e313e5399e3b9aac96be56cb260a2 [0,2,0,0,0,0|0,0,2]=4 12100 B11R0.3 C/C=C\COCCCCCCC 48c8f8426fdc5f9bef7e34a4312ddd6d [0,2,0,0,0,0|0,0,2]=4 12101 B11R0.3 C/C=C\COCCCCCCF 126aea7232dc7a0b430c4dee03ceaec0 [0,2,0,0,0,0|0,0,2]=4 12102 B11R0.3 C/C=C\COCCCCCCS 081cdd454bfaee6f795bf7b4f95af9fa [0,2,0,0,0,0|0,0,2]=4 12103 B11R0.3 C/C=C\COCCCCCOC 4e639fe74d7ef5f7d30bdfde75120077 [0,2,0,0,0,0|0,0,2]=4 12104 B11R0.3 C/C=C\COCCCOCCC 16369499383e62b52fb77a251c8989d0 [0,2,0,0,0,0|0,0,2]=4 12105 B11R0.3 C/C=C\COCCOCCCC dfe99dfdd74fbf68f2859b7251586665 [0,2,0,0,0,0|0,0,1]=3 12106 B11R0.3 C/C=C\COCCOCCOC 8d6ede64fa0e41bc00e9f8ad47cc979c [0,2,0,0,0,0|0,0,2]=4 12107 B11R0.3 C/C=C\COCCSCCCC 4e911834bfd762f76c728653e4156155 [0,2,0,0,0,0|0,0,2]=4 12108 B11R0.3 C=C=CCCOCCCCCC 5d3d3a98576b836d28e9a60568eb9441 [0,2,0,0,0,0|0,0,2]=4 12109 B11R0.3 C=C=CCCOCCCCCF 8616b8dcf230762f1c97e179059cacf0 [0,2,0,0,0,0|0,0,2]=4 12110 B11R0.3 C=C=CCCOCCCCOC bb76b779d4b6130c3c9f5779f58c76af [0,2,0,0,0,0|0,0,2]=4 12111 B11R0.3 C=C=CCCOCCCOCC 91bfc7d365db72c5fd23d6f64b4e045a [0,2,0,0,0,0|0,0,2]=4 12112 B11R0.3 C=C=CCCOCCCSCC 432b5d195ab849eda077fea4341b6f0d [0,2,0,0,0,0|0,0,2]=4 12113 B11R0.3 C=C=CCCOCCOCCC 59b39559728f2ce76e9f5c1e668a4ef2 [0,2,0,0,0,0|0,0,2]=4 12114 B11R0.3 C=C=CCCOCOCCCC 5b5623fe73f5d4e8048373164c850d0d [0,2,0,0,0,0|0,0,2]=4 12115 B11R0.3 C=CCC#CCCOCCCC e7b532714acf833768677c682b6c88c2 [0,2,0,0,0,0|0,0,2]=4 12116 B11R0.3 C=CCCCCCCCOCC ed14b0620af6de10a0e50df9aa44f9c3 [0,2,0,0,0,0|1,0,1]=4 12117 B11R0.3 C=CCCCCCCNCCC a40bb91c630069b9a44746e8fb1ba5be [0,2,0,0,0,0|1,0,1]=4 12118 B11R0.3 C=CCCCCCCOCCC af0fc2056d78c68262c9655cb905d458 [0,2,0,0,0,0|1,0,1]=4 12119 B11R0.3 C=CCCCCCNCCCC 009368897ac39b99fc20760d8f7a7a77 [0,2,0,0,0,0|1,0,0]=3 12120 B11R0.3 C=CCCCCCNCCCCl 09dfe18013515b26584005f3a021a915 [0,2,0,0,0,0|2,0,0]=4 12121 B11R0.3 C=CCCCCCNCCCF 1ae72dd4ccda3fa7c24820119c92ce2a [0,2,0,0,0,0|2,0,0]=4 12122 B11R0.3 C=CCCCCCNCCCO 96e9a84a1f13802799f12ff9218c17fe [0,2,0,0,0,0|2,0,0]=4 12123 B11R0.3 C=CCCCCCNCCCS b2aa653c074a7ed9b40f15aebf4e6a0f [0,2,0,0,0,0|2,0,0]=4 12124 B11R0.3 C=CCCCCCNCCOC b39b20556e9ace5e00358650f9657ead [0,2,0,0,0,0|2,0,0]=4 12125 B11R0.3 C=CCCCCCNCCSC 03250f27acb49100a7d183a633179854 [0,2,0,0,0,0|2,0,0]=4 12126 B11R0.3 C=CCCCCCNCOCC a4a984cc49fb399b4f0f6c63b5f1062f [0,2,0,0,0,0|2,0,0]=4 12127 B11R0.3 C=CCCCCCOC/C=C/C 93c07bc1462fb88f727be746252ec57d [0,2,0,0,0,0|0,0,2]=4 12128 B11R0.3 C=CCCCCCOC/C=C\C c5cd5f075580d0a4da2bffe86cc06a8f [0,2,0,0,0,0|0,0,2]=4 12129 B11R0.3 C=CCCCCCOCC#CC 93fae87948060abe8e8694ddd9d5f90e [0,2,0,0,0,0|0,0,2]=4 12130 B11R0.3 C=CCCCCCOCC=CC 7373ace1643cc5d6ca76832e7efee507 [0,2,0,0,0,0|0,0,2]=4 12131 B11R0.3 C=CCCCCCOCCC#N d9ae0ec0ffacf89447a2ffc2191351fe [0,2,0,0,0,0|1,0,1]=4 12132 B11R0.3 C=CCCCCCOCCC=C adc26bca1d798a19f5d4e07147099fbb [0,2,0,0,0,0|0,0,2]=4 12133 B11R0.3 C=CCCCCCOCCC=O 87264142ebb2ce7fb13e032ce4b50092 [0,2,0,0,0,0|1,0,1]=4 12134 B11R0.3 C=CCCCCCOCCCC 580bca9ccc39bf087cb9fbf52b121e2d [0,2,0,0,0,0|0,0,0]=2 12135 B11R0.3 C=CCCCCCOCCCF 24a46a32f89a0fe4b574efb8fafecc42 [0,2,0,0,0,0|1,0,0]=3 12136 B11R0.3 C=CCCCCCOCCCS a15cb655e05011a26384140c45b6310d [0,2,0,0,0,0|1,0,0]=3 12137 B11R0.3 C=CCCCCCOCCOC ea4963199fea63ca489aa0221e3da1f5 [0,2,0,0,0,0|1,0,0]=3 12138 B11R0.3 C=CCCCCCOCCSC 9a2db9941cc688895fa25ccaeb85d81c [0,2,0,0,0,0|1,0,0]=3 12139 B11R0.3 C=CCCCCCOCOCC fdaa340eb48847d3150c4eb60e84f2bb [0,2,0,0,0,0|1,0,0]=3 12140 B11R0.3 C=CCCCCNCCCCC c38c9382edb4f72ed2fe2f11cb49092f [0,2,0,0,0,0|1,0,0]=3 12141 B11R0.3 C=CCCCCNCCCCCl bf6c2281c4073566b29818bf3b7b16fe [0,2,0,0,0,0|1,0,1]=4 12142 B11R0.3 C=CCCCCNCCCCF 9a88c2fa76a36a9846c8dd2998158365 [0,2,0,0,0,0|1,0,1]=4 12143 B11R0.3 C=CCCCCNCCCCO 5dd011111637e0f5e3ce1284d3335035 [0,2,0,0,0,0|1,0,1]=4 12144 B11R0.3 C=CCCCCNCCCCS 077daa8b08b43995d649c9690315a327 [0,2,0,0,0,0|1,0,1]=4 12145 B11R0.3 C=CCCCCNCCCOC a13100beab3a0718d419d0d3a9811bb3 [0,2,0,0,0,0|1,0,1]=4 12146 B11R0.3 C=CCCCCNCCCSC c38b1574aa1e858b83fa8c2f072a342a [0,2,0,0,0,0|1,0,1]=4 12147 B11R0.3 C=CCCCCNCCOCC 643d262054b245be01c65e462030e044 [0,2,0,0,0,0|1,0,1]=4 12148 B11R0.3 C=CCCCCNCCSCC d01be9aac7a7476f05b45d22269442a2 [0,2,0,0,0,0|1,0,1]=4 12149 B11R0.3 C=CCCCCOC/C=C/CC a0f385f2bffeec3770e35d3d37482130 [0,2,0,0,0,0|0,0,2]=4 12150 B11R0.3 C=CCCCCOC/C=C\CC d1d7d2a2b454aa57361a60a489e4b18e [0,2,0,0,0,0|0,0,2]=4 12151 B11R0.3 C=CCCCCOCC#CCC 669215b3b78f940cf4f4493cb24152d5 [0,2,0,0,0,0|0,0,2]=4 12152 B11R0.3 C=CCCCCOCC/C=C/C 2e186128ba33da1087ce5d8a3d8338c5 [0,2,0,0,0,0|0,0,2]=4 12153 B11R0.3 C=CCCCCOCCC#CC b3714a6e6da66cd29e292584c61ef4d3 [0,2,0,0,0,0|0,0,2]=4 12154 B11R0.3 C=CCCCCOCCCC#N 1f0d6c96e0ecaf20d4c38a084255ebfd [0,2,0,0,0,0|0,0,2]=4 12155 B11R0.3 C=CCCCCOCCCC=C e07013a8feb474cafd2963351f790de5 [0,2,0,0,0,0|0,0,2]=4 12156 B11R0.3 C=CCCCCOCCCC=O 8bc1c5bae0b5e4e93d2bd2125d67bc10 [0,2,0,0,0,0|0,0,2]=4 12157 B11R0.3 C=CCCCCOCCCCC 8b612cdb52ccc179804553965ee56419 [0,2,0,0,0,0|0,0,0]=2 12158 B11R0.3 C=CCCCCOCCCCF 30fa2ea128edfb6a84457832f1bc2512 [0,2,0,0,0,0|0,0,1]=3 12159 B11R0.3 C=CCCCCOCCCCS 3ea3211ba2364761ad6e77f40ae623dc [0,2,0,0,0,0|0,0,1]=3 12160 B11R0.3 C=CCCCCOCCCOC 96a3354e2cac9e46ea9ff19d896f2eb7 [0,2,0,0,0,0|0,0,1]=3 12161 B11R0.3 C=CCCCCOCCCSC 39892027f6b2ef9601ae41bdedcff3a8 [0,2,0,0,0,0|0,0,1]=3 12162 B11R0.3 C=CCCCCOCCOCC ea7e4b2e8d79312418fa6b2873662732 [0,2,0,0,0,0|0,0,1]=3 12163 B11R0.3 C=CCCCCOCCSCC 4045736ed73a206e236650d89114b1de [0,2,0,0,0,0|0,0,1]=3 12164 B11R0.3 C=CCCCNCCCCCC 76af61b3540584ce9d68dfdb439ae738 [0,2,0,0,0,0|1,0,1]=4 12165 B11R0.3 C=CCCCNCCCCCCl b2beaea8e1665101cedf5b03ce0a3135 [0,2,0,0,0,0|1,0,1]=4 12166 B11R0.3 C=CCCCNCCCCCF 70be3f1548118068c06efe6b86499984 [0,2,0,0,0,0|1,0,1]=4 12167 B11R0.3 C=CCCCNCCCCCO ed7a1c0d1a7ad4c234f4ec30bd6073b5 [0,2,0,0,0,0|1,0,1]=4 12168 B11R0.3 C=CCCCNCCCCOC 13ae4ee90bfd22e14ee349fe84b44633 [0,2,0,0,0,0|1,0,1]=4 12169 B11R0.3 C=CCCCNCCCCSC 53dde2f1dca9d54dad98c0320daaf970 [0,2,0,0,0,0|1,0,1]=4 12170 B11R0.3 C=CCCCNCCCOCC a066ff6cf5f9817ff17ad4be646d2637 [0,2,0,0,0,0|1,0,1]=4 12171 B11R0.3 C=CCCCNCCCSCC ac55dc55e3168caa71c7436f6550e66a [0,2,0,0,0,0|1,0,1]=4 12172 B11R0.3 C=CCCCNCCOCCC 4574cab9b2b3ba10d52b9a7450a33391 [0,2,0,0,0,0|1,0,1]=4 12173 B11R0.3 C=CCCCNCOCCCC 9a8ece2253a6b232efd2d7cc49a802eb [0,2,0,0,0,0|0,0,1]=3 12174 B11R0.3 C=CCCCNCOCCOC 25f133cc0b3d9f2e9d86936c3df18823 [0,2,0,0,0,0|1,0,1]=4 12175 B11R0.3 C=CCCCOC/C=C/CCC 15d8a6fb27b06da32df6ac9834fbefe1 [0,2,0,0,0,0|0,0,2]=4 12176 B11R0.3 C=CCCCOC/C=C\CCC 7ec5701aae3c54b366f6d47e1626411f [0,2,0,0,0,0|0,0,2]=4 12177 B11R0.3 C=CCCCOCC#CCCC 760fdafaaaed158d2a3890cdd20c03c5 [0,2,0,0,0,0|0,0,2]=4 12178 B11R0.3 C=CCCCOCC/C=C/CC 1f450e7ca7b65d300cb21122a428399c [0,2,0,0,0,0|0,0,2]=4 12179 B11R0.3 C=CCCCOCC/C=C\CC e23031b9cc28cc8c778a8a97ebb1b9b8 [0,2,0,0,0,0|0,0,2]=4 12180 B11R0.3 C=CCCCOCCC#CCC fc0607baae4b433f69354bb22c27b1b1 [0,2,0,0,0,0|0,0,2]=4 12181 B11R0.3 C=CCCCOCCC/C=C/C 040b819fba93e1adbd966e99e50373f1 [0,2,0,0,0,0|0,0,2]=4 12182 B11R0.3 C=CCCCOCCC/C=C\C 79e0b3c6e26e8df4b65bd460e0bc9b0d [0,2,0,0,0,0|0,0,2]=4 12183 B11R0.3 C=CCCCOCCCC#CC 2f18cb680232b6bc4c957225df77d141 [0,2,0,0,0,0|0,0,2]=4 12184 B11R0.3 C=CCCCOCCCC=CC dd8035c7aa145cd01c8008cd3c2b0621 [0,2,0,0,0,0|0,0,2]=4 12185 B11R0.3 C=CCCCOCCCCC#N 836edce9c78f318e58da12c9682ba8a5 [0,2,0,0,0,0|0,0,2]=4 12186 B11R0.3 C=CCCCOCCCCC=O 3cfc81eb47355d9e2f69b6bc64854e18 [0,2,0,0,0,0|0,0,2]=4 12187 B11R0.3 C=CCCCOCCCCCC 7b128642b816d84d36be162dfb6b66f7 [0,2,0,0,0,0|0,0,1]=3 12188 B11R0.3 C=CCCCOCCCCCF ed617faee53e0d6da0f041b207555b13 [0,2,0,0,0,0|0,0,1]=3 12189 B11R0.3 C=CCCCOCCCCOC 81cdfcbd233ace056bb1a6e74584759b [0,2,0,0,0,0|0,0,1]=3 12190 B11R0.3 C=CCCCOCCCCSC ec38d71477d31728526e4a52731e2b89 [0,2,0,0,0,0|0,0,1]=3 12191 B11R0.3 C=CCCCOCCCOCC 9c3d0cc3a5e196669aed4f0881723867 [0,2,0,0,0,0|0,0,1]=3 12192 B11R0.3 C=CCCCOCCCSCC 57985619a5650688aa9830785b6e805a [0,2,0,0,0,0|0,0,1]=3 12193 B11R0.3 C=CCCCOCCOCCC 32f13474234b8279ad0cfa90e9e6e9fc [0,2,0,0,0,0|0,0,1]=3 12194 B11R0.3 C=CCCCOCCOCCF 90dbdd404a6307e2d4a3cbff39a99c22 [0,2,0,0,0,0|0,0,2]=4 12195 B11R0.3 C=CCCCOCCOCCS b1352a38c875ce35adb1cf704167354c [0,2,0,0,0,0|0,0,2]=4 12196 B11R0.3 C=CCCCOCCOCOC 1ed822ddd8166cd214c259824f341ef2 [0,2,0,0,0,0|0,0,2]=4 12197 B11R0.3 C=CCCCOCCSCCC 7e5220ce84dd6a1a50874a195a971d93 [0,2,0,0,0,0|0,0,1]=3 12198 B11R0.3 C=CCCCOCOCCCC 6a4c2cebb1d85f2830ed3af54dc4723e [0,2,0,0,0,0|0,0,1]=3 12199 B11R0.3 C=CCCCOCOCCOC 1909ce908fd2fc459c441cc76dccad67 [0,2,0,0,0,0|0,0,2]=4 12200 B11R0.3 C=CCCNCCCCCCC ce62f32ebc0ff4d7c79abb8227eba886 [0,2,0,0,0,0|1,0,1]=4 12201 B11R0.3 C=CCCNCCOCCCC b9a8152b16384b4641135fb64d28278c [0,2,0,0,0,0|0,0,1]=3 12202 B11R0.3 C=CCCNCCOCCCO 9a638fdd576d8f95966d7cb8857b2a45 [0,2,0,0,0,0|1,0,1]=4 12203 B11R0.3 C=CCCNCCOCCOC c8d9d542aa749421bbb5e66d0b176d73 [0,2,0,0,0,0|1,0,1]=4 12204 B11R0.3 C=CCCOC/C=C/CCCC fb8c0529c46c5be92a50ebb801861bd8 [0,2,0,0,0,0|0,0,2]=4 12205 B11R0.3 C=CCCOC/C=C\CCCC ca550b9e5627e63f48ab4a769c3b0f06 [0,2,0,0,0,0|0,0,2]=4 12206 B11R0.3 C=CCCOCC#CCCCC c4b06a0d828aeb1f636589a885688c75 [0,2,0,0,0,0|0,0,2]=4 12207 B11R0.3 C=CCCOCC/C=C\CCC bc98f3438168b201f6c28ca085cf6178 [0,2,0,0,0,0|0,0,2]=4 12208 B11R0.3 C=CCCOCCC#CCCC e4100e752c386ceec24320fbd91622fc [0,2,0,0,0,0|0,0,2]=4 12209 B11R0.3 C=CCCOCCC/C=C\CC ac91f7a1770420c0b0c2a17c914981fc [0,2,0,0,0,0|0,0,2]=4 12210 B11R0.3 C=CCCOCCCCCC#N 05377c5af40aae0e7aebf672e6f283ad [0,2,0,0,0,0|0,0,2]=4 12211 B11R0.3 C=CCCOCCCCCC=O 416d3ad007ca1f20172aed4c5d0c5b0f [0,2,0,0,0,0|0,0,2]=4 12212 B11R0.3 C=CCCOCCCCCCC 8d06e26ebbdf8e7dffb8f7a6170401d7 [0,2,0,0,0,0|0,0,2]=4 12213 B11R0.3 C=CCCOCCCCCCF 034f47757fc3057a19b106b427d77de4 [0,2,0,0,0,0|0,0,2]=4 12214 B11R0.3 C=CCCOCCCCCCS a14bbc3920754f3bae6049e5fbd834a0 [0,2,0,0,0,0|0,0,2]=4 12215 B11R0.3 C=CCCOCCCCCOC eb6189d8bd262f7d4c84b16322d40630 [0,2,0,0,0,0|0,0,2]=4 12216 B11R0.3 C=CCCOCCCOCCC a4f93f282b0ac7a5b2aa10a2c9831f89 [0,2,0,0,0,0|0,0,2]=4 12217 B11R0.3 C=CCCOCCOCCCC ceb27f8fc00757cd247493790fef63e6 [0,2,0,0,0,0|0,0,1]=3 12218 B11R0.3 C=CCCOCCOCCOC 3ff74e8283b6c205bfb4f5499cebd9f9 [0,2,0,0,0,0|0,0,2]=4 12219 B11R0.3 C=CCCOCCSCCCC b5254fdb9c7a41ce55524d0e27d02f4b [0,2,0,0,0,0|0,0,2]=4 12220 B11R0.3 C=CCNCCCCCCCC bfc9a2fcdb2e10a56b8cbe225faaa255 [0,2,0,0,0,0|1,0,1]=4 12221 B11R0.3 C=CCNCCCOCCCC 7f8dc0700cf351cc0dd95bb1c92bf8c4 [0,2,0,0,0,0|0,0,1]=3 12222 B11R0.3 C=CCNCCCOCCCO 735e8eb2f7ccf42c28893ac5047fd6c7 [0,2,0,0,0,0|1,0,1]=4 12223 B11R0.3 C=CCNCCCOCCOC 17de9978f1bc1eec1f93b6b6f9e83a94 [0,2,0,0,0,0|1,0,1]=4 12224 B11R0.3 C=CCNCCCOCCSC 5d21d6cfd983db7407a8fea903eb9d5f [0,2,0,0,0,0|1,0,1]=4 12225 B11R0.3 C=CCNCCOCCOCC 396bc485702d338184b30c343b6baa5c [0,2,0,0,0,0|0,0,2]=4 12226 B11R0.3 C=CCOCCCCCCCC 49a99e47fdc5a48a8387d42d9cb8bfc1 [0,2,0,0,0,0|1,0,1]=4 12227 B11R0.3 C=CCOCCCOCCCC 7d4ff83f0ed1b9ca130ff94d54921788 [0,2,0,0,0,0|0,0,1]=3 12228 B11R0.3 C=CCOCCCOCCOC b4e189868f26bc0ab04d7e54462834bd [0,2,0,0,0,0|1,0,1]=4 12229 B11R0.3 C=CCOCCNCCCCC ffc64d5e7f7f8e29a878d7dda7da1add [0,2,0,0,0,0|1,0,1]=4 12230 B11R0.3 C=CCOCCOCCCCC 383584e1a2897187a25e8d7f909c2c01 [0,2,0,0,0,0|0,0,1]=3 12231 B11R0.3 C=CCOCCOCCCCF 0b57c618aab09ca6e76674480b0bb2df [0,2,0,0,0,0|0,0,2]=4 12232 B11R0.3 C=CCOCCOCCCCS 866bb3d1cc952dd49a436de5aa298f9e [0,2,0,0,0,0|0,0,2]=4 12233 B11R0.3 C=CCOCCOCCCOC 362afcb94b8de7d1882eaf43c33a713d [0,2,0,0,0,0|0,0,2]=4 12234 B11R0.3 C=CCOCCOCCCSC abd42331b618ab20e88d24a885b42277 [0,2,0,0,0,0|0,0,2]=4 12235 B11R0.3 C=CCOCCOCCOCC d07f7ead356267a30f647ce4c7088f47 [0,2,0,0,0,0|0,0,2]=4 12236 B11R0.3 C=CCOCCOCCSCC 1a1acadd212b801d85fb9fcc801b922a [0,2,0,0,0,0|0,0,2]=4 12237 B11R0.3 C=COCCCCOCCCC 249c199e1816d108ff922c0d53957218 [0,2,0,0,0,0|0,0,1]=3 12238 B11R0.3 C=COCCCCOCCCF 5ad88e5a6a66d2f9cba81243903f42ff [0,2,0,0,0,0|1,0,1]=4 12239 B11R0.3 C=COCCCCOCCCS 2a30a75b03c70e4cc6f6cf75a46a80e3 [0,2,0,0,0,0|1,0,1]=4 12240 B11R0.3 C=COCCCCOCCOC c00a675a0762f4a81e97760b277451f0 [0,2,0,0,0,0|1,0,1]=4 12241 B11R0.3 C=COCCCCOCCSC 9abbc8208200fc749f0f40245a1354c6 [0,2,0,0,0,0|1,0,1]=4 12242 B11R0.3 C=COCCCCOCOCC 5df84b6ca42228000220d215eabc16e5 [0,2,0,0,0,0|1,0,1]=4 12243 B11R0.3 C=COCCCNCCCCC 0c8081fe0641b0cf6cc1dee98c3da909 [0,2,0,0,0,0|1,0,1]=4 12244 B11R0.3 C=COCCNCOCCCC bec88796c1df7dcf43ce4fd7ce9b5439 [0,2,0,0,0,0|0,0,2]=4 12245 B11R0.3 C=COCCOCCCCCC c4fbe42354451c2e8756a643fb897441 [0,2,0,0,0,0|0,0,2]=4 12246 B11R0.3 C=COCCOCCCCCF 557f48ea4296803816287d29d50613e9 [0,2,0,0,0,0|0,0,2]=4 12247 B11R0.3 C=COCCOCCCCOC 7fd31e67276c3d4637d9f3b1f369ffa5 [0,2,0,0,0,0|0,0,2]=4 12248 B11R0.3 C=COCCOCCCOCC 02ae71ef1d457e766d530039fb526406 [0,2,0,0,0,0|0,0,2]=4 12249 B11R0.3 C=COCCOCCCSCC af475b40e4d09c3c91dee179d8a33a63 [0,2,0,0,0,0|0,0,2]=4 12250 B11R0.3 C=COCCOCCOCCC 45d36869b6e6d46010c80e0af3f5133f [0,2,0,0,0,0|0,0,2]=4 12251 B11R0.3 C=COCCOCOCCCC 172448508efd3b97145bfa32bf28b370 [0,2,0,0,0,0|0,0,2]=4 12252 B11R0.3 CC#CCCCOC/C=C/CC e5db7690394a65e92964bb96d5bbccae [0,2,0,0,0,0|0,0,2]=4 12253 B11R0.3 CC#CCCCOC/C=C\CC 0047675540e3c1153d818453936fabcf [0,2,0,0,0,0|0,0,2]=4 12254 B11R0.3 CC#CCCCOCC#CCC 86ef571586c133589fad4b0cc0f392dd [0,2,0,0,0,0|0,0,2]=4 12255 B11R0.3 CC#CCCCOCCC#CC 0bcc1b7eb5a91418433e5c86864edd8b [0,2,0,0,0,0|0,0,2]=4 12256 B11R0.3 CC#CCCCOCCCC#N 5d710ddb42d47d1e9b605d834578ffe5 [0,2,0,0,0,0|0,0,2]=4 12257 B11R0.3 CC#CCCCOCCCC=O 53864b650d3bbc2a3a0cf3a3af9906d2 [0,2,0,0,0,0|0,0,2]=4 12258 B11R0.3 CC#CCCCOCCCCC b04ddcf4209faadf54008a4e9c0369f6 [0,2,0,0,0,0|0,0,0]=2 12259 B11R0.3 CC#CCCCOCCCCF e6136c8145378bb3f83265aa34271d20 [0,2,0,0,0,0|0,0,1]=3 12260 B11R0.3 CC#CCCCOCCCOC 8a910ef9fc1cf98536fbe57849f3c192 [0,2,0,0,0,0|0,0,1]=3 12261 B11R0.3 CC#CCCCOCCCSC fecb28d4950ae5e92abae4d2b8464206 [0,2,0,0,0,0|0,0,1]=3 12262 B11R0.3 CC#CCCCOCCOCC 39ce7bca89aa6eecd2d1c520fc0eca90 [0,2,0,0,0,0|0,0,1]=3 12263 B11R0.3 CC#CCCCOCCSCC bea9cbc48f3e59863035b53c13998619 [0,2,0,0,0,0|0,0,1]=3 12264 B11R0.3 CC#CCCOC/C=C/CCC 0fdca8d464afd5ccf47a4c3416dcb40e [0,2,0,0,0,0|0,0,2]=4 12265 B11R0.3 CC#CCCOC/C=C\CCC 16970f738e38330e85d0e1e24129f257 [0,2,0,0,0,0|0,0,2]=4 12266 B11R0.3 CC#CCCOCC/C=C\CC 8eb36de631309d07bf878f1b80e229f0 [0,2,0,0,0,0|0,0,2]=4 12267 B11R0.3 CC#CCCOCCC/C=C\C 6c84da21d85685de2baa20a07f263694 [0,2,0,0,0,0|0,0,2]=4 12268 B11R0.3 CC#CCCOCCCCC#N b5fb8cb1b6646ed98bf6bfa6e27778f1 [0,2,0,0,0,0|0,0,2]=4 12269 B11R0.3 CC#CCCOCCCCC=O 169896b9d2c1db4fd3725d24df75fc76 [0,2,0,0,0,0|0,0,2]=4 12270 B11R0.3 CC#CCCOCCCCCC 4df9256e5313b82d3da19c215c9e28d8 [0,2,0,0,0,0|0,0,1]=3 12271 B11R0.3 CC#CCCOCCCCCF 42a470dcc66fd58ba5db954d47bd15a4 [0,2,0,0,0,0|0,0,1]=3 12272 B11R0.3 CC#CCCOCCCCOC 96d4c6f939409df04c3e2413422f5a2a [0,2,0,0,0,0|0,0,1]=3 12273 B11R0.3 CC#CCCOCCCOCC 246a526cbae773255a4f8e597680dd97 [0,2,0,0,0,0|0,0,1]=3 12274 B11R0.3 CC#CCCOCCCSCC 073ca490252b3802b15d0cf57370589a [0,2,0,0,0,0|0,0,1]=3 12275 B11R0.3 CC#CCCOCCOCCC 5cb892c29a08b071d6c98b6dc24b5b91 [0,2,0,0,0,0|0,0,1]=3 12276 B11R0.3 CC#CCCOCCOCOC 88abab33d24616e20526d20eb900c975 [0,2,0,0,0,0|0,0,2]=4 12277 B11R0.3 CC#CCCOCOCCCC 766e81996e2d76e42f2d2a392ef5601a [0,2,0,0,0,0|0,0,1]=3 12278 B11R0.3 CC#CCCOCOCCOC 97b305dae2ae2ed85a9dee17cd6f3d74 [0,2,0,0,0,0|0,0,2]=4 12279 B11R0.3 CC#CCNCCCCCCC 5a8887c12be23d4badf5fa372603b5a1 [0,2,0,0,0,0|1,0,1]=4 12280 B11R0.3 CC#CCNCCOCCCC 92188140d32982cec94ad98ef817a243 [0,2,0,0,0,0|0,0,1]=3 12281 B11R0.3 CC#CCNCCOCCCO 35254e29d840182235007540bea0d75f [0,2,0,0,0,0|1,0,1]=4 12282 B11R0.3 CC#CCNCCOCCOC e9d1c71305fe5b27bcd3baa14b13cdaf [0,2,0,0,0,0|1,0,1]=4 12283 B11R0.3 CC#CCOC/C=C/CCCC 3091aa077cda10a645d107f0e424aeb4 [0,2,0,0,0,0|0,0,2]=4 12284 B11R0.3 CC#CCOC/C=C\CCCC 3f1e8b131ff71c5d43daf257d12a25a9 [0,2,0,0,0,0|0,0,2]=4 12285 B11R0.3 CC#CCOCC/C=C\CCC a9d6d4509126a2d229657ba5c1d284ad [0,2,0,0,0,0|0,0,2]=4 12286 B11R0.3 CC#CCOCCC/C=C\CC e8dfbda2dd88d89f2945f322f7f93e7d [0,2,0,0,0,0|0,0,2]=4 12287 B11R0.3 CC#CCOCCCCCC#N 7f6187b97b41d5d89cf5eabe681b4df4 [0,2,0,0,0,0|0,0,2]=4 12288 B11R0.3 CC#CCOCCCCCC=O af52ec11550476b618aa841bbe7332b0 [0,2,0,0,0,0|0,0,2]=4 12289 B11R0.3 CC#CCOCCCCCCC 0c7eb975d774cd474d54b4a54ee269c6 [0,2,0,0,0,0|0,0,2]=4 12290 B11R0.3 CC#CCOCCCCCCF c28245a749a29395341b8fc23fda0260 [0,2,0,0,0,0|0,0,2]=4 12291 B11R0.3 CC#CCOCCCCCOC babf95c9086d6ba0bcd2357e04a0900b [0,2,0,0,0,0|0,0,2]=4 12292 B11R0.3 CC#CCOCCCOCCC 43fd4151c8bc5c73b7215f66db54c8c0 [0,2,0,0,0,0|0,0,2]=4 12293 B11R0.3 CC#CCOCCOCCCC 00633fade9683c771303901765ef1430 [0,2,0,0,0,0|0,0,1]=3 12294 B11R0.3 CC#CCOCCOCCOC ff7a470067da632341e763852bba8ffe [0,2,0,0,0,0|0,0,2]=4 12295 B11R0.3 CC/C=C/CCOC/C=C/CC 16d2ece02d159638875ad094092b3559 [0,2,0,0,0,0|0,0,2]=4 12296 B11R0.3 CC/C=C/CCOCCCC#N 0e70b981d7441d01ebb742447c5be12b [0,2,0,0,0,0|0,0,2]=4 12297 B11R0.3 CC/C=C/CCOCCCC=O 79e09c746fec07f02c875cafd0d74dfe [0,2,0,0,0,0|0,0,2]=4 12298 B11R0.3 CC/C=C/CCOCCCCC b53d7a6c46eb728d1471fa5f092df813 [0,2,0,0,0,0|0,0,0]=2 12299 B11R0.3 CC/C=C/CCOCCCCF db27d0c9635d0c213d73aac13911a160 [0,2,0,0,0,0|0,0,1]=3 12300 B11R0.3 CC/C=C/CCOCCCOC bb57789fef830566880a8c794032bf0d [0,2,0,0,0,0|0,0,1]=3 12301 B11R0.3 CC/C=C/CCOCCCSC 39df8352e504f047e1955c139750b56a [0,2,0,0,0,0|0,0,1]=3 12302 B11R0.3 CC/C=C/CCOCCOCC 43b47c9363e674f04921656e013e0f54 [0,2,0,0,0,0|0,0,1]=3 12303 B11R0.3 CC/C=C/CCOCCSCC 5285bf5ad09cbcadaa8cb6988b0408aa [0,2,0,0,0,0|0,0,1]=3 12304 B11R0.3 CC/C=C/CNCCCCCC 4ea6a89a67bd880060b4122692e295c2 [0,2,0,0,0,0|1,0,1]=4 12305 B11R0.3 CC/C=C/CNCCCCCCl a505ead9b9085cdca2d3a3f992727599 [0,2,0,0,0,0|1,0,1]=4 12306 B11R0.3 CC/C=C/CNCCCCCO 11c74b6eec366a8c158ee3c9d35eee5f [0,2,0,0,0,0|1,0,1]=4 12307 B11R0.3 CC/C=C/CNCCCCOC 90e8540c5abae5652417534f34909d2a [0,2,0,0,0,0|1,0,1]=4 12308 B11R0.3 CC/C=C/CNCCCCSC f16892310e3b9547746ac40140d79e59 [0,2,0,0,0,0|1,0,1]=4 12309 B11R0.3 CC/C=C/CNCCCOCC adf79c7e401b64f245ecd0d5edaa927e [0,2,0,0,0,0|1,0,1]=4 12310 B11R0.3 CC/C=C/CNCCOCCC 94f91dd23595886db93579c9fde26409 [0,2,0,0,0,0|1,0,1]=4 12311 B11R0.3 CC/C=C/COC/C=C/CCC 431c1240655b5db582c40d0d8df16b11 [0,2,0,0,0,0|0,0,2]=4 12312 B11R0.3 CC/C=C/COC/C=C\CCC 0ae03e71a753812c17f82bfd4033f61d [0,2,0,0,0,0|0,0,2]=4 12313 B11R0.3 CC/C=C/COCC#CCCC 1be4752b37171641cc95f20745848159 [0,2,0,0,0,0|0,0,2]=4 12314 B11R0.3 CC/C=C/COCCCCC#N 52e781753fc1b11ed357442a69f8017c [0,2,0,0,0,0|0,0,2]=4 12315 B11R0.3 CC/C=C/COCCCCC=O 506cc39572219735fcb7f1d39b2d0883 [0,2,0,0,0,0|0,0,2]=4 12316 B11R0.3 CC/C=C/COCCCCCC eb90121bb3484ddc510c42f4817c7d41 [0,2,0,0,0,0|0,0,1]=3 12317 B11R0.3 CC/C=C/COCCCCCF 7b75038d11bb46fe8e249d2dcb96fcd6 [0,2,0,0,0,0|0,0,1]=3 12318 B11R0.3 CC/C=C/COCCCCOC e7c3d87b782983344570a27572ffbf26 [0,2,0,0,0,0|0,0,1]=3 12319 B11R0.3 CC/C=C/COCCCCSC 091663aae70043d65b211f8f597d86e9 [0,2,0,0,0,0|0,0,1]=3 12320 B11R0.3 CC/C=C/COCCCOCC 78297c8bc000552630439c9709171cba [0,2,0,0,0,0|0,0,1]=3 12321 B11R0.3 CC/C=C/COCCCSCC 15b9fe94e8a49786c10995a9adfdceed [0,2,0,0,0,0|0,0,1]=3 12322 B11R0.3 CC/C=C/COCCOCCC 9cc7e8c4d1d9a97715bfc8cbef889868 [0,2,0,0,0,0|0,0,1]=3 12323 B11R0.3 CC/C=C/COCCOCCF e4ab8695279064575b02473490f85846 [0,2,0,0,0,0|0,0,2]=4 12324 B11R0.3 CC/C=C/COCCOCCS d04dff33bea581ad6bcbb3ee427ca0bd [0,2,0,0,0,0|0,0,2]=4 12325 B11R0.3 CC/C=C/COCCOCOC 443be350ea6e17387e429297fcbbbee1 [0,2,0,0,0,0|0,0,2]=4 12326 B11R0.3 CC/C=C/COCCSCCC 95cab5376c5a30e2fc8eb4f66f596d44 [0,2,0,0,0,0|0,0,1]=3 12327 B11R0.3 CC/C=C/COCOCCCC 0d636c9ea306623be56f563bf5b5ad56 [0,2,0,0,0,0|0,0,1]=3 12328 B11R0.3 CC/C=C/COCOCCOC 7338080f804dd040d28cba7bbb054186 [0,2,0,0,0,0|0,0,2]=4 12329 B11R0.3 CC/C=C\CCCCCOCC 3fcd157868f9d6a02a7d59a5bad0c445 [0,2,0,0,0,0|1,0,1]=4 12330 B11R0.3 CC/C=C\CCCCOCCC b91b66aedbd8d3f44f429a8b1d860578 [0,2,0,0,0,0|1,0,1]=4 12331 B11R0.3 CC/C=C\CCCOCCC#N 2c5a60c3ad9c63b35b764782a7fb7c85 [0,2,0,0,0,0|1,0,1]=4 12332 B11R0.3 CC/C=C\CCCOCCC=O 741499873b60375251ed2f97fbdcc1a0 [0,2,0,0,0,0|1,0,1]=4 12333 B11R0.3 CC/C=C\CCCOCCCC 4cdaf8803428e2d9f645148af5a0d0b2 [0,2,0,0,0,0|0,0,0]=2 12334 B11R0.3 CC/C=C\CCCOCCCF 98835682c1129b1c7916d471184b4885 [0,2,0,0,0,0|1,0,0]=3 12335 B11R0.3 CC/C=C\CCCOCCCS 665272f90257bf8bbc1f5634ba395f6f [0,2,0,0,0,0|1,0,0]=3 12336 B11R0.3 CC/C=C\CCCOCCOC b1bbbe91f93c611f79d8b0fb289f6aad [0,2,0,0,0,0|1,0,0]=3 12337 B11R0.3 CC/C=C\CCCOCCSC 0d602f7c41af76f66157c88769ec6ec6 [0,2,0,0,0,0|1,0,0]=3 12338 B11R0.3 CC/C=C\CCCOCOCC 33dae2e12167b7eabf2c7ee083b312ad [0,2,0,0,0,0|1,0,0]=3 12339 B11R0.3 CC/C=C\CCNCCCCC ca3a0d15ea7c79f615890d56cab14290 [0,2,0,0,0,0|1,0,0]=3 12340 B11R0.3 CC/C=C\CCNCCCCCl dda2a530611fdbf5cddb0da844142b75 [0,2,0,0,0,0|1,0,1]=4 12341 B11R0.3 CC/C=C\CCNCCCCO 8f9446d6f8c1d403a5239feba0633bcf [0,2,0,0,0,0|1,0,1]=4 12342 B11R0.3 CC/C=C\CCNCCCCS 41e22787e6bd684e714fb3824d1a92b3 [0,2,0,0,0,0|1,0,1]=4 12343 B11R0.3 CC/C=C\CCNCCCOC 38419656a7bfb9551b88b8ef34315094 [0,2,0,0,0,0|1,0,1]=4 12344 B11R0.3 CC/C=C\CCNCCCSC 093fb32e4e5e7565a978551e5033c7ed [0,2,0,0,0,0|1,0,1]=4 12345 B11R0.3 CC/C=C\CCNCCOCC 7586b845ef1626eb48de22bcee77f37b [0,2,0,0,0,0|1,0,1]=4 12346 B11R0.3 CC/C=C\CCNCCSCC 3c861bbe373217ef0e7c857e52753952 [0,2,0,0,0,0|1,0,1]=4 12347 B11R0.3 CC/C=C\CCOC/C=C/CC 4967ea7bb96107ad52335773945d5447 [0,2,0,0,0,0|0,0,2]=4 12348 B11R0.3 CC/C=C\CCOC/C=C\CC 9ffbf7e8ff743b19e5d3a827e1362fae [0,2,0,0,0,0|0,0,2]=4 12349 B11R0.3 CC/C=C\CCOCCCC#N 6f51585e5cf231cccdf7e8868b34a8e6 [0,2,0,0,0,0|0,0,2]=4 12350 B11R0.3 CC/C=C\CCOCCCC=O d9f9e81c0e1218665dea141d10997379 [0,2,0,0,0,0|0,0,2]=4 12351 B11R0.3 CC/C=C\CCOCCCCC 26ad29cfc366b08d786d9b655a0964e4 [0,2,0,0,0,0|0,0,0]=2 12352 B11R0.3 CC/C=C\CCOCCCCF 3fd058640593676b2194ed4dd999eb72 [0,2,0,0,0,0|0,0,1]=3 12353 B11R0.3 CC/C=C\CCOCCCCS 85bb847715880a394fd78eea2b3c923b [0,2,0,0,0,0|0,0,1]=3 12354 B11R0.3 CC/C=C\CCOCCCOC d9dc9776c04f9dda2dfd8674e381212a [0,2,0,0,0,0|0,0,1]=3 12355 B11R0.3 CC/C=C\CCOCCCSC 8f41472641c02a41ae5f67f4917f0af3 [0,2,0,0,0,0|0,0,1]=3 12356 B11R0.3 CC/C=C\CCOCCOCC 04dac999673e037fe50cf5f521ee462d [0,2,0,0,0,0|0,0,1]=3 12357 B11R0.3 CC/C=C\CCOCCSCC 67d16d9b6fc19034eb83a73318f27b0e [0,2,0,0,0,0|0,0,1]=3 12358 B11R0.3 CC/C=C\COC/C=C/CCC 9f0304d675a3454ce4d3415b70d9a844 [0,2,0,0,0,0|0,0,2]=4 12359 B11R0.3 CC/C=C\COC/C=C\CCC f28d8c97e11462919c333ccf3c8c08af [0,2,0,0,0,0|0,0,2]=4 12360 B11R0.3 CC/C=C\COCCCCC#N 412f83b35d43d412f357f5c1d3a59c26 [0,2,0,0,0,0|0,0,2]=4 12361 B11R0.3 CC/C=C\COCCCCC=O d1a0537fc70aac4ac5902cd573d12350 [0,2,0,0,0,0|0,0,2]=4 12362 B11R0.3 CC/C=C\COCCCCCC 9755557f3f5961e4b7217afb6d53fd2f [0,2,0,0,0,0|0,0,1]=3 12363 B11R0.3 CC/C=C\COCCCCCF 35cd61b12323056f0401f98311654457 [0,2,0,0,0,0|0,0,1]=3 12364 B11R0.3 CC/C=C\COCCCCOC e551e50f44f5d50f7aaa7f9517da79d7 [0,2,0,0,0,0|0,0,1]=3 12365 B11R0.3 CC/C=C\COCCCOCC 09a72043339a3aef47e35453f927d988 [0,2,0,0,0,0|0,0,1]=3 12366 B11R0.3 CC/C=C\COCCCSCC 1795e1c986d477f0638e7d7e2a0f309e [0,2,0,0,0,0|0,0,1]=3 12367 B11R0.3 CC/C=C\COCCOCCC 8399b5ba7d8ae3af7874349b04bbbee4 [0,2,0,0,0,0|0,0,1]=3 12368 B11R0.3 CC/C=C\COCCOCOC 8b3db1502882b52f185f8c2040f55ba7 [0,2,0,0,0,0|0,0,2]=4 12369 B11R0.3 CC/C=C\COCOCCCC ecbff20520a997a442bc1e107ec28aeb [0,2,0,0,0,0|0,0,1]=3 12370 B11R0.3 CC/C=C\COCOCCOC 277c631a8c44db0f00bb69dcc3513e5b [0,2,0,0,0,0|0,0,2]=4 12371 B11R0.3 CC=C=CCCOCCCCC f479771863cbff291f815f4a85f0457b [0,2,0,0,0,0|0,0,1]=3 12372 B11R0.3 CC=C=CCCOCCCCF f022d9277d0c5011f1d0655eee20cf4f [0,2,0,0,0,0|0,0,2]=4 12373 B11R0.3 CC=C=CCCOCCCOC 9f654f42ce91025e6eb160a75bac38f3 [0,2,0,0,0,0|0,0,2]=4 12374 B11R0.3 CC=C=CCCOCCCSC 66dd0f9928d5c87b9fe0acb88452c2da [0,2,0,0,0,0|0,0,2]=4 12375 B11R0.3 CC=C=CCCOCCOCC 476e192a94f0988f446c0ada954244a3 [0,2,0,0,0,0|0,0,2]=4 12376 B11R0.3 CC=C=CCCOCCSCC 591d0564d81c9c58e9cb947e13e46b2b [0,2,0,0,0,0|0,0,2]=4 12377 B11R0.3 CC=CC#CCCOCCCC 0ae27189e3b3b0d3f2d3bea2f00e6640 [0,2,0,0,0,0|0,0,2]=4 12378 B11R0.3 CC=CC=CCOCCCCC 0a414855753f5c15a0899ce0a42b5368 [0,2,0,0,0,0|0,0,2]=4 12379 B11R0.3 CC=CCCCOC/C=C/CC bfd53d4eead7d06756a4c323beeabeaa [0,2,0,0,0,0|0,0,2]=4 12380 B11R0.3 CC=CCCCOCC#CCC 9c1c28d9a3fea337c5bcfae5fe1ab197 [0,2,0,0,0,0|0,0,2]=4 12381 B11R0.3 CC=CCCCOCCCC#N 4ac21c837a7e00a1da2fc82a28f4a5b7 [0,2,0,0,0,0|0,0,2]=4 12382 B11R0.3 CC=CCCCOCCCC=O de5095d65c7ef50436cd82d28dece0dc [0,2,0,0,0,0|0,0,2]=4 12383 B11R0.3 CC=CCCCOCCCCC 150b13ec9b2c10d3b11289990257ead7 [0,2,0,0,0,0|0,0,0]=2 12384 B11R0.3 CC=CCCCOCCCCF 84e97fd7df8fb19fee6a128b802aaadb [0,2,0,0,0,0|0,0,1]=3 12385 B11R0.3 CC=CCCCOCCCOC abcdfaad628183400b7371d796c6a7f3 [0,2,0,0,0,0|0,0,1]=3 12386 B11R0.3 CC=CCCCOCCCSC b1785612e73d37594c76ac9627cab822 [0,2,0,0,0,0|0,0,1]=3 12387 B11R0.3 CC=CCCCOCCOCC 304529fe2a058fffdebfb959a6264626 [0,2,0,0,0,0|0,0,1]=3 12388 B11R0.3 CC=CCCCOCCSCC 2e1ad699a01234d8ea9a6a6c7546e493 [0,2,0,0,0,0|0,0,1]=3 12389 B11R0.3 CC=CCNCCCCCCC 7008f5a91daa02e914ed344aafa7e9d0 [0,2,0,0,0,0|1,0,1]=4 12390 B11R0.3 CC=CCNCCOCCCC c0ad83c9d8accb799a5bc6d85895c963 [0,2,0,0,0,0|0,0,1]=3 12391 B11R0.3 CC=CCNCCOCCOC 74a9b4aa3d144b4bd23a861723643847 [0,2,0,0,0,0|1,0,1]=4 12392 B11R0.3 CC=CCOC/C=C/CCCC d38ee830cd8fa091b66ba49df9c7ab6a [0,2,0,0,0,0|0,0,2]=4 12393 B11R0.3 CC=CCOC/C=C\CCCC 4cd4ac5b8d78402bb6424759acd06340 [0,2,0,0,0,0|0,0,2]=4 12394 B11R0.3 CC=CCOCC#CCCCC 64abd2f27fc86dc3404ce850207d4886 [0,2,0,0,0,0|0,0,2]=4 12395 B11R0.3 CC=CCOCCCCCC#N d5da987c6609417809c0b381172d1ed5 [0,2,0,0,0,0|0,0,2]=4 12396 B11R0.3 CC=CCOCCCCCC=O 593c902611cc57a64bfe84343d2aa1d0 [0,2,0,0,0,0|0,0,2]=4 12397 B11R0.3 CC=CCOCCCCCCC 46a2177b7fee8ebd05148c40489b256d [0,2,0,0,0,0|0,0,2]=4 12398 B11R0.3 CC=CCOCCCCCCF 58dd9025de1a019538fac1cc13eacd12 [0,2,0,0,0,0|0,0,2]=4 12399 B11R0.3 CC=CCOCCCCCOC ec08773db7fc2ba09eb1eb8be204aed5 [0,2,0,0,0,0|0,0,2]=4 12400 B11R0.3 CC=CCOCCCOCCC 19df180950b21e49ab3defe02752258c [0,2,0,0,0,0|0,0,2]=4 12401 B11R0.3 CC=CCOCCOCCCC b4c3a6bd19c475df34c6a1ba0511a41c [0,2,0,0,0,0|0,0,1]=3 12402 B11R0.3 CC=CCOCCOCCOC 417007357f6b5695e5822d7a3bbf3ce3 [0,2,0,0,0,0|0,0,2]=4 12403 B11R0.3 CCC#CCCOC/C=C/CC 8414890b81f8126435d2f7008dc95453 [0,2,0,0,0,0|0,0,2]=4 12404 B11R0.3 CCC#CCCOCCCC#N 7bf163faf804762d1c4f7bf30701897d [0,2,0,0,0,0|0,0,2]=4 12405 B11R0.3 CCC#CCCOCCCC=O 29bede86558c08b637fc4d71373fe9e4 [0,2,0,0,0,0|0,0,2]=4 12406 B11R0.3 CCC#CCCOCCCCC ea61c9e9f51ccb19ef08c5d6ca6a7377 [0,2,0,0,0,0|0,0,0]=2 12407 B11R0.3 CCC#CCCOCCCCF 1d98f93401e6771fd27f1f515eef6a5f [0,2,0,0,0,0|0,0,1]=3 12408 B11R0.3 CCC#CCCOCCCOC 1db0cb141d29b7cca3b9bb9f47e97b3b [0,2,0,0,0,0|0,0,1]=3 12409 B11R0.3 CCC#CCCOCCCSC 2e89150de1fe4b4aafd84388c0e18a7c [0,2,0,0,0,0|0,0,1]=3 12410 B11R0.3 CCC#CCCOCCOCC ff8af3b719e221717c9e0c2a789ccf2b [0,2,0,0,0,0|0,0,1]=3 12411 B11R0.3 CCC#CCCOCCSCC 3c3eb867502a77eb97345e0578489b2c [0,2,0,0,0,0|0,0,1]=3 12412 B11R0.3 CCC#CCNCCCCCC 0e5483b41653e63137eb42e7d9552a55 [0,2,0,0,0,0|1,0,1]=4 12413 B11R0.3 CCC#CCNCCCCCCl 9a418d73db5f0c7e78aa04033679363d [0,2,0,0,0,0|1,0,1]=4 12414 B11R0.3 CCC#CCNCCCCCO 397b954fe1eab79f99ec4f6bdc83fdd2 [0,2,0,0,0,0|1,0,1]=4 12415 B11R0.3 CCC#CCNCCCCOC 431d0c957e831be7a113cccb847d441d [0,2,0,0,0,0|1,0,1]=4 12416 B11R0.3 CCC#CCNCCCCSC 261fad0db149b9c6bb5166ce3b025fa2 [0,2,0,0,0,0|1,0,1]=4 12417 B11R0.3 CCC#CCNCCCOCC 904bcabafd4da44daf2000c3dc83bf15 [0,2,0,0,0,0|1,0,1]=4 12418 B11R0.3 CCC#CCNCCOCCC 5e5281ef1ea41392b33981dea7458856 [0,2,0,0,0,0|1,0,1]=4 12419 B11R0.3 CCC#CCOC/C=C/CCC 5316af55c9a6b1991284ae282f80c5f4 [0,2,0,0,0,0|0,0,2]=4 12420 B11R0.3 CCC#CCOC/C=C\CCC 38f65c549122bc3eb4e003d57c59dba5 [0,2,0,0,0,0|0,0,2]=4 12421 B11R0.3 CCC#CCOCC/C=C/CC 2bf7dec6d1acfb68134ee2c8ac97ce4a [0,2,0,0,0,0|0,0,2]=4 12422 B11R0.3 CCC#CCOCC/C=C\CC 05026b7f910f127b0b3699727a003e4f [0,2,0,0,0,0|0,0,2]=4 12423 B11R0.3 CCC#CCOCCCCC#N 15e9bbbc6e7ed7f07dfcae2e9bbd3917 [0,2,0,0,0,0|0,0,2]=4 12424 B11R0.3 CCC#CCOCCCCC=O 22187454d8110a759711d6dd8bc5ecab [0,2,0,0,0,0|0,0,2]=4 12425 B11R0.3 CCC#CCOCCCCCC 2489a158ff607aa0b713ab2111e23770 [0,2,0,0,0,0|0,0,1]=3 12426 B11R0.3 CCC#CCOCCCCCF f04d23e36afcaa682fb5c4c415dbe2f0 [0,2,0,0,0,0|0,0,1]=3 12427 B11R0.3 CCC#CCOCCCCOC 96b985c3ab6e474694ae0e6cab2915c8 [0,2,0,0,0,0|0,0,1]=3 12428 B11R0.3 CCC#CCOCCCCSC f3942dc3880fae43bb1f6d4e38c9243a [0,2,0,0,0,0|0,0,1]=3 12429 B11R0.3 CCC#CCOCCCOCC 79bc9a8bcd5dcdc42a940ca81d35ae4d [0,2,0,0,0,0|0,0,1]=3 12430 B11R0.3 CCC#CCOCCCSCC c3de317f75e0ca888090fa8486ad5314 [0,2,0,0,0,0|0,0,1]=3 12431 B11R0.3 CCC#CCOCCOCCC 3b1a0244c83894908215b4bc43484edf [0,2,0,0,0,0|0,0,1]=3 12432 B11R0.3 CCC#CCOCCOCCF 724f466ef671df6363292dee72e83f2d [0,2,0,0,0,0|0,0,2]=4 12433 B11R0.3 CCC#CCOCCOCCS 40e9295bd8a693cfa69d8ebbda373e23 [0,2,0,0,0,0|0,0,2]=4 12434 B11R0.3 CCC#CCOCCOCOC 1357021bc2b82a9c0987ff3a3fcf979d [0,2,0,0,0,0|0,0,2]=4 12435 B11R0.3 CCC#CCOCCSCCC 01d365b7e98f289875fc987b6e978adf [0,2,0,0,0,0|0,0,1]=3 12436 B11R0.3 CCC#CCOCOCCCC 418bfd9a5f42a291499a78fe3f640c9f [0,2,0,0,0,0|0,0,1]=3 12437 B11R0.3 CCC#CCOCOCCOC c75ae1308a08a3c8b50c79223cd72c24 [0,2,0,0,0,0|0,0,2]=4 12438 B11R0.3 CCC/C=C/CCCOCCC dae1775eca5913317c5cd584ee8751c6 [0,2,0,0,0,0|1,0,1]=4 12439 B11R0.3 CCC/C=C/CCCOCCF a80ad6d24efb4f7d744f4f79037555a9 [0,2,0,0,0,0|1,0,1]=4 12440 B11R0.3 CCC/C=C/CCCOCCS e7b7cc02174042151a7fe34f90ac8f60 [0,2,0,0,0,0|1,0,1]=4 12441 B11R0.3 CCC/C=C/CCCOCOC fc2274f1f9b386f550752b65f24ffe54 [0,2,0,0,0,0|1,0,1]=4 12442 B11R0.3 CCC/C=C/CCCOCSC 698b26e231fa7e988c284f20b4e0b9e0 [0,2,0,0,0,0|1,0,1]=4 12443 B11R0.3 CCC/C=C/CNCCCCC 220ba6cf6d3871bb7347038a1b74977c [0,2,0,0,0,0|1,0,0]=3 12444 B11R0.3 CCC/C=C/CNCCCCCl b61ca8398daea604c7b88542bbde1523 [0,2,0,0,0,0|1,0,1]=4 12445 B11R0.3 CCC/C=C/CNCCCCO 639a07255e680188f68832595d43e1a1 [0,2,0,0,0,0|1,0,1]=4 12446 B11R0.3 CCC/C=C/CNCCCCS 31aac3d082339589090f5a4502303824 [0,2,0,0,0,0|1,0,1]=4 12447 B11R0.3 CCC/C=C/CNCCCOC 5eb56760c107ce156e3f37add0defb7d [0,2,0,0,0,0|1,0,1]=4 12448 B11R0.3 CCC/C=C/CNCCCSC a1ba6671c7e688ddae72c34509184d40 [0,2,0,0,0,0|1,0,1]=4 12449 B11R0.3 CCC/C=C/CNCCOCC f3e083aa07e9e195c919e61bed71cbca [0,2,0,0,0,0|1,0,1]=4 12450 B11R0.3 CCC/C=C/CNCCSCC a0603daf4692366d9460b912318b6159 [0,2,0,0,0,0|1,0,1]=4 12451 B11R0.3 CCC/C=C/COCCCC#N 651650fe3a39db2de274829922dee9ea [0,2,0,0,0,0|0,0,2]=4 12452 B11R0.3 CCC/C=C/COCCCC=O 68fa2dbb50a3d6a5fa866aec83a64e72 [0,2,0,0,0,0|0,0,2]=4 12453 B11R0.3 CCC/C=C/COCCCCC 376fd1605555eb7afa40e728bdf19f2d [0,2,0,0,0,0|0,0,0]=2 12454 B11R0.3 CCC/C=C/COCCCCF 1e405093a9cd08a77a3ce5d51eb8d2b2 [0,2,0,0,0,0|0,0,1]=3 12455 B11R0.3 CCC/C=C/COCCCCS bf576c04450197c5a420c415250ec66b [0,2,0,0,0,0|0,0,1]=3 12456 B11R0.3 CCC/C=C/COCCCOC 2652ab1b03d006e31ac095fd8b569317 [0,2,0,0,0,0|0,0,1]=3 12457 B11R0.3 CCC/C=C/COCCCSC d3d0a5114803e7784bdbde662b141e2e [0,2,0,0,0,0|0,0,1]=3 12458 B11R0.3 CCC/C=C/COCCOCC fa936414fc6de811957229b314abcf23 [0,2,0,0,0,0|0,0,1]=3 12459 B11R0.3 CCC/C=C/COCCSCC 555c6c596d7892551d87bd34963df301 [0,2,0,0,0,0|0,0,1]=3 12460 B11R0.3 CCC/C=C\CCCOCCC 9d2652818f4292c6bd7658d96bf7fce0 [0,2,0,0,0,0|1,0,1]=4 12461 B11R0.3 CCC/C=C\CCCOCCF 0caca79b41b4b19b20dabcf40288bd48 [0,2,0,0,0,0|1,0,1]=4 12462 B11R0.3 CCC/C=C\CCCOCCS 4c4a72bd9dcc0de36a00433a43e5977f [0,2,0,0,0,0|1,0,1]=4 12463 B11R0.3 CCC/C=C\CCCOCOC 5673570b0b67f6fc0ff62865642c10d6 [0,2,0,0,0,0|1,0,1]=4 12464 B11R0.3 CCC/C=C\CCCOCSC acaa6d53e87f0e29572323fb5363eb59 [0,2,0,0,0,0|1,0,1]=4 12465 B11R0.3 CCC/C=C\CCOCCC#N 50686ba05d70dbcbfb2aa85f18961b47 [0,2,0,0,0,0|1,0,1]=4 12466 B11R0.3 CCC/C=C\CCOCCC=O d4f37345b92910f6955592ce6a7812ec [0,2,0,0,0,0|1,0,1]=4 12467 B11R0.3 CCC/C=C\CCOCCCC 9e74787723b6c36b8e5fff0d11977396 [0,2,0,0,0,0|0,0,0]=2 12468 B11R0.3 CCC/C=C\CCOCCCF dd989db2289351ef5ce7df50d48f6ddb [0,2,0,0,0,0|1,0,0]=3 12469 B11R0.3 CCC/C=C\CCOCCCS b79df2321dfd6b64cfc3914ae100f69d [0,2,0,0,0,0|1,0,0]=3 12470 B11R0.3 CCC/C=C\CCOCCOC 54b94a67fbd01818f073011ed3235f49 [0,2,0,0,0,0|1,0,0]=3 12471 B11R0.3 CCC/C=C\CCOCCSC d1fbff8adee1bfbcb12bdd9d9ad6634b [0,2,0,0,0,0|1,0,0]=3 12472 B11R0.3 CCC/C=C\CCOCOCC b227ec100de3b879ddd32c02a1864e6a [0,2,0,0,0,0|1,0,0]=3 12473 B11R0.3 CCC/C=C\CNCCCCC 019a7c473a2da7ebbb424bd7efd3e588 [0,2,0,0,0,0|1,0,0]=3 12474 B11R0.3 CCC/C=C\CNCCCCCl bc96fe17e2b05c395f3c43650263229f [0,2,0,0,0,0|1,0,1]=4 12475 B11R0.3 CCC/C=C\CNCCCCO 47755699a15979b55acc95b06960b519 [0,2,0,0,0,0|1,0,1]=4 12476 B11R0.3 CCC/C=C\CNCCCCS 407c648f8af794946e18a71773eeee6c [0,2,0,0,0,0|1,0,1]=4 12477 B11R0.3 CCC/C=C\CNCCCOC f6bfe2cec7f50561da5abcc118f6dbc1 [0,2,0,0,0,0|1,0,1]=4 12478 B11R0.3 CCC/C=C\CNCCCSC 9d15edba94ff9b0648f4f3696f649af7 [0,2,0,0,0,0|1,0,1]=4 12479 B11R0.3 CCC/C=C\CNCCOCC 52061ebaaf9e88609e4cf281a17645bc [0,2,0,0,0,0|1,0,1]=4 12480 B11R0.3 CCC/C=C\CNCCSCC 19be2ef1ef75de9f8ae02ee38f268881 [0,2,0,0,0,0|1,0,1]=4 12481 B11R0.3 CCC/C=C\COCCCC#N eb4aa1eea1f419294214a51c481bd62c [0,2,0,0,0,0|0,0,2]=4 12482 B11R0.3 CCC/C=C\COCCCC=O a84ae4db9b72baac18c30307a69923a7 [0,2,0,0,0,0|0,0,2]=4 12483 B11R0.3 CCC/C=C\COCCCCC d379d1a8be0c42f6be0ab331a41b2209 [0,2,0,0,0,0|0,0,0]=2 12484 B11R0.3 CCC/C=C\COCCCCF 86073571909588252351e5d35bfd63d7 [0,2,0,0,0,0|0,0,1]=3 12485 B11R0.3 CCC/C=C\COCCCCS 81fe9677b5d1f32bf51a05fa8cf5cc73 [0,2,0,0,0,0|0,0,1]=3 12486 B11R0.3 CCC/C=C\COCCCOC eac2a114c2a207e3d627da99b3b146d4 [0,2,0,0,0,0|0,0,1]=3 12487 B11R0.3 CCC/C=C\COCCCSC cfccee0d115516457b51764d0bbc11d7 [0,2,0,0,0,0|0,0,1]=3 12488 B11R0.3 CCC/C=C\COCCOCC f8e0d83a65b0dc18d8d0f5ad6742be3b [0,2,0,0,0,0|0,0,1]=3 12489 B11R0.3 CCC/C=C\COCCSCC 35d8c21a2c7aee7b436fe7dbbf4ba576 [0,2,0,0,0,0|0,0,1]=3 12490 B11R0.3 CCC=CCCCCCOCC acb4ebc5d4b9da3999d78f72f192ac9b [0,2,0,0,0,0|1,0,1]=4 12491 B11R0.3 CCCC#CCCOCCC#N 08cfa55949bed4075db99daa9f439bc3 [0,2,0,0,0,0|1,0,1]=4 12492 B11R0.3 CCCC#CCCOCCC=O f7fb211900151aa06c4b060596b88c19 [0,2,0,0,0,0|1,0,1]=4 12493 B11R0.3 CCCC#CCCOCCCC 5dd77899fa2630c12a317b7aa0e40741 [0,2,0,0,0,0|0,0,0]=2 12494 B11R0.3 CCCC#CCCOCCCF f04302236179f6c058bbf72faa0a1155 [0,2,0,0,0,0|1,0,0]=3 12495 B11R0.3 CCCC#CCCOCCCS a180d37dfc570cb9c206065f958faece [0,2,0,0,0,0|1,0,0]=3 12496 B11R0.3 CCCC#CCCOCCOC 8bbd89202a56369d2a9d969e301714d0 [0,2,0,0,0,0|1,0,0]=3 12497 B11R0.3 CCCC#CCCOCCSC 48aadff05d81e449e5668a97ca5b926c [0,2,0,0,0,0|1,0,0]=3 12498 B11R0.3 CCCC#CCCOCOCC 10f906cd03b5014a885acf1a87e234de [0,2,0,0,0,0|1,0,0]=3 12499 B11R0.3 CCCC#CCOCCCC#N 8468aedf6546e58db7a200475632bb9c [0,2,0,0,0,0|0,0,2]=4 12500 B11R0.3 CCCC#CCOCCCC=O fc1171aaa9079d9d7e3f35543febd14c [0,2,0,0,0,0|0,0,2]=4 12501 B11R0.3 CCCC#CCOCCCCC 294532da1ff01764bd0073793a3e09a3 [0,2,0,0,0,0|0,0,0]=2 12502 B11R0.3 CCCC#CCOCCCCF 04394f1f98540b333bef8e9c416a1399 [0,2,0,0,0,0|0,0,1]=3 12503 B11R0.3 CCCC#CCOCCCOC 3830fceaef3f2294b0a0b54819a625e8 [0,2,0,0,0,0|0,0,1]=3 12504 B11R0.3 CCCC#CCOCCCSC 7d5754212c3c309d0ce5ead8db994773 [0,2,0,0,0,0|0,0,1]=3 12505 B11R0.3 CCCC#CCOCCOCC ee0222fe53f733b549ee5dcf95ccbae4 [0,2,0,0,0,0|0,0,1]=3 12506 B11R0.3 CCCC#CCOCCSCC b2dfeabb907236c30ed6cd1ad99a712c [0,2,0,0,0,0|0,0,1]=3 12507 B11R0.3 CCCC/C=C/CNCCCC 45a1595a8cd26e56275e1f00dfa303c5 [0,2,0,0,0,0|1,0,0]=3 12508 B11R0.3 CCCC/C=C/CNCCCCl fa1ec8140b96c49486ee8183fee55838 [0,2,0,0,0,0|1,0,1]=4 12509 B11R0.3 CCCC/C=C/CNCCCO 6e288c24cf84e42add1dd01ee687f60f [0,2,0,0,0,0|1,0,1]=4 12510 B11R0.3 CCCC/C=C/CNCCOC fb7dda0bb455ab33d42226210213efa9 [0,2,0,0,0,0|1,0,1]=4 12511 B11R0.3 CCCC/C=C/CNCCSC 6c8f8a5873c2f516866fefb431eb3d41 [0,2,0,0,0,0|1,0,1]=4 12512 B11R0.3 CCCC/C=C/COCCC#N 746628cfc5f09d866fee5991c5eddf32 [0,2,0,0,0,0|1,0,1]=4 12513 B11R0.3 CCCC/C=C/COCCC=O 996c1987da4a51ea390a546a562a66e0 [0,2,0,0,0,0|1,0,1]=4 12514 B11R0.3 CCCC/C=C/COCCCC 82dc9ab35de47f0095fadba26ee4655b [0,2,0,0,0,0|0,0,0]=2 12515 B11R0.3 CCCC/C=C/COCCCF 38a3bcfbe42564156d385d9ea1bda6ed [0,2,0,0,0,0|1,0,0]=3 12516 B11R0.3 CCCC/C=C/COCCCS df2640efcae648c648f99186309be680 [0,2,0,0,0,0|1,0,0]=3 12517 B11R0.3 CCCC/C=C/COCCOC 6cca4c9939de4aa0e27193c7710a0489 [0,2,0,0,0,0|1,0,0]=3 12518 B11R0.3 CCCC/C=C/COCCSC d4d5e7e64edae0227a280caa2385f238 [0,2,0,0,0,0|1,0,0]=3 12519 B11R0.3 CCCC/C=C/COCOCC 1a5b71343619d6bd8cac7a4102da636d [0,2,0,0,0,0|1,0,0]=3 12520 B11R0.3 CCCC/C=C\CCOCCC 1a8844975936e052ac905af32c23beeb [0,2,0,0,0,0|1,0,0]=3 12521 B11R0.3 CCCC/C=C\CCOCCF 6cb492041843c48071afd2e631f16197 [0,2,0,0,0,0|1,0,1]=4 12522 B11R0.3 CCCC/C=C\CCOCCS 696ce213c532e04df12d6f502e0d7769 [0,2,0,0,0,0|1,0,1]=4 12523 B11R0.3 CCCC/C=C\CCOCOC fd32dc8f2419d0dd3a9948c449485679 [0,2,0,0,0,0|1,0,1]=4 12524 B11R0.3 CCCC/C=C\CCOCSC e1289946fabceed48c32cae0a31e065c [0,2,0,0,0,0|1,0,1]=4 12525 B11R0.3 CCCC/C=C\CNCCCC 7f1816742bbcb8773089cbe2feaac39f [0,2,0,0,0,0|1,0,0]=3 12526 B11R0.3 CCCC/C=C\CNCCCCl 69d5014489b18296033ffc78ee8b6826 [0,2,0,0,0,0|1,0,1]=4 12527 B11R0.3 CCCC/C=C\CNCCCO 75c1dab82f49ecf823b1d57baf05848a [0,2,0,0,0,0|1,0,1]=4 12528 B11R0.3 CCCC/C=C\CNCCOC 4977c65d9b7f57d13a64e8a1b89027d5 [0,2,0,0,0,0|1,0,1]=4 12529 B11R0.3 CCCC/C=C\CNCCSC 0069622189aeccd46488df9fb65b4809 [0,2,0,0,0,0|1,0,1]=4 12530 B11R0.3 CCCC/C=C\COCCC#N 8e3d2faa1ad40b32a0ad8f1109f8de7c [0,2,0,0,0,0|1,0,1]=4 12531 B11R0.3 CCCC/C=C\COCCC=O 5a779b20b65c7877fc533ae569ce2526 [0,2,0,0,0,0|1,0,1]=4 12532 B11R0.3 CCCC/C=C\COCCCC a469df223d2e13d6d1c593a861913433 [0,2,0,0,0,0|0,0,0]=2 12533 B11R0.3 CCCC/C=C\COCCCF e1b0e263e381d2b639cdcb23fb7a8f9c [0,2,0,0,0,0|1,0,0]=3 12534 B11R0.3 CCCC/C=C\COCCCS ff478384cf52d96fa1fb9a1dee869f33 [0,2,0,0,0,0|1,0,0]=3 12535 B11R0.3 CCCC/C=C\COCCOC 4e056a452fdb8c5650818c0b3671a3a1 [0,2,0,0,0,0|1,0,0]=3 12536 B11R0.3 CCCC/C=C\COCCSC 6f044d9ce18a64f534134ccae3a2ed46 [0,2,0,0,0,0|1,0,0]=3 12537 B11R0.3 CCCC=C=CCCOCCC 33551549ebfa38dbd155b82df28e83f8 [0,2,0,0,0,0|1,0,1]=4 12538 B11R0.3 CCCCC#CCCOCCC 30aff69ed8d572e55b86add46927c905 [0,2,0,0,0,0|1,0,0]=3 12539 B11R0.3 CCCCC#CCCOCCF 2220898f719413f22db444dde783f033 [0,2,0,0,0,0|1,0,1]=4 12540 B11R0.3 CCCCC#CCCOCCS 9ec44618957736b35fed9e6f0dac86d1 [0,2,0,0,0,0|1,0,1]=4 12541 B11R0.3 CCCCC#CCCOCOC d10519063e0e7bbf7866cbcc856f529e [0,2,0,0,0,0|1,0,1]=4 12542 B11R0.3 CCCCC#CCCOCSC 910d1cda649be19626a8ca8baaf2ddbd [0,2,0,0,0,0|1,0,1]=4 12543 B11R0.3 CCCCC#CCOCCC#N 4f018f5f108802990f6d5bdba70ca6b0 [0,2,0,0,0,0|1,0,1]=4 12544 B11R0.3 CCCCC#CCOCCC=O f89730049bfdea7506ba58eb0ac18af5 [0,2,0,0,0,0|1,0,1]=4 12545 B11R0.3 CCCCC#CCOCCCC c37a33db3e7c309c6e390eb3aaebf07d [0,2,0,0,0,0|0,0,0]=2 12546 B11R0.3 CCCCC#CCOCCCF b35bf857b42fb2b44d41b52dc84d48a0 [0,2,0,0,0,0|1,0,0]=3 12547 B11R0.3 CCCCC#CCOCCCS 5fcd5dbebd7f972b3b2489cabce18ca2 [0,2,0,0,0,0|1,0,0]=3 12548 B11R0.3 CCCCC#CCOCCOC edcffdee2de1bc770624255b88ee7200 [0,2,0,0,0,0|1,0,0]=3 12549 B11R0.3 CCCCC#CCOCCSC d525fdd7bb1005b8bc40d96d5057fb87 [0,2,0,0,0,0|1,0,0]=3 12550 B11R0.3 CCCCC#CCOCOCC 0fba7081b8c07a816efe7435462525fe [0,2,0,0,0,0|1,0,0]=3 12551 B11R0.3 CCCCC/C=C/COCCC 0cc4eeb3dd9ed1acd28a102ef946cd8f [0,2,0,0,0,0|1,0,0]=3 12552 B11R0.3 CCCCC/C=C/COCCF 7ef3bac61bc649d596093120b1c9a304 [0,2,0,0,0,0|1,0,1]=4 12553 B11R0.3 CCCCC/C=C/COCCS cda0989a0e5aa1a2200c0eadbf2a40c0 [0,2,0,0,0,0|1,0,1]=4 12554 B11R0.3 CCCCC/C=C/COCOC 029c9f3bf3910b19534d5f15102c0c00 [0,2,0,0,0,0|1,0,1]=4 12555 B11R0.3 CCCCC/C=C/COCSC f824aa6db0b15338145d315e046b3372 [0,2,0,0,0,0|1,0,1]=4 12556 B11R0.3 CCCCC/C=C\CCOCC 9bbd94ef19d1e094626d984ac326c15e [0,2,0,0,0,0|1,0,0]=3 12557 B11R0.3 CCCCC/C=C\CCOCF f091c725a56b4d5be0c9549783610d2b [0,2,0,0,0,0|1,0,1]=4 12558 B11R0.3 CCCCCC#CCCOCC bf50964cdd5d1e4cdbf4b0ccb340846c [0,2,0,0,0,0|1,0,0]=3 12559 B11R0.3 CCCCCC#CCCOCF fcd910bfb2dfe6ca9e3ac85fe1151329 [0,2,0,0,0,0|1,0,1]=4 12560 B11R0.3 CCCCCC#CCOCCC ea66505486efb96849999eb79293bb02 [0,2,0,0,0,0|1,0,0]=3 12561 B11R0.3 CCCCCC#CCOCCF 9bde3dab7ca6e6398f84ceefd20a853a [0,2,0,0,0,0|1,0,1]=4 12562 B11R0.3 CCCCCC#CCOCCS 877a8e61df1e937badd1df61ca88eeac [0,2,0,0,0,0|1,0,1]=4 12563 B11R0.3 CCCCCC#CCOCOC dcf8b167d1155db7ae39f659f6acb42f [0,2,0,0,0,0|1,0,1]=4 12564 B11R0.3 CCCCCC#CCOCSC 637f4d1acc7045467342e430a44a0181 [0,2,0,0,0,0|1,0,1]=4 12565 B11R0.3 CCCCCC/C=C/COCC 1d564dbe762cb9f190a747403312f838 [0,2,0,0,0,0|1,0,1]=4 12566 B11R0.3 CCCCCC/C=C\COCC 5a8a881f07f8a5e19b54364067beb581 [0,2,0,0,0,0|1,0,1]=4 12567 B11R0.3 CCCCCCC#CCOCC 66416f698d2466e906aa210fab2adadb [0,2,0,0,0,0|1,0,1]=4 12568 B11R0.3 CCCCCCCCCNC#N 6b046d3912028b93959cb4e452afd1ae [0,2,0,0,0,0|1,0,1]=4 12569 B11R0.3 CCCCCCCCCNC=O 450ec7c17222bfa50b1bec9a4e76d3ac [0,2,0,0,0,0|1,0,1]=4 12570 B11R0.3 CCCCCCCCCNCC b6539dc308d63bc638f757291d8ebf84 [0,2,0,0,0,0|1,0,0]=3 12571 B11R0.3 CCCCCCCCCNCF 43bd644c8c480de2fb259821f0ab90b3 [0,2,0,0,0,0|1,0,0]=3 12572 B11R0.3 CCCCCCCCCNCO cabb056dd32239ed577df722d85b0dd4 [0,2,0,0,0,0|1,0,0]=3 12573 B11R0.3 CCCCCCCCCOCC 2da72f808296172141d037a9a0e922cc [0,2,0,0,0,0|1,0,0]=3 12574 B11R0.3 CCCCCCCCCOCF c4f834bdcd233b73d7c8d340364a980d [0,2,0,0,0,0|1,0,0]=3 12575 B11R0.3 CCCCCCCCNCC#N e1e1fda8b8bfebd20bf6e7275805690a [0,2,0,0,0,0|1,0,1]=4 12576 B11R0.3 CCCCCCCCNCC=O d9ced648acece07efb5d33c320d8dadf [0,2,0,0,0,0|1,0,1]=4 12577 B11R0.3 CCCCCCCCNCCBr 124dad0af09f96099c60b552aee5a73e [0,2,0,0,0,0|1,0,0]=3 12578 B11R0.3 CCCCCCCCNCCC 5c5d2b2d5b77701c078b7890315f6ed4 [0,2,0,0,0,0|1,0,0]=3 12579 B11R0.3 CCCCCCCCNCCF 2e0818a402ab846cf4daf1ebdd30c4d5 [0,2,0,0,0,0|1,0,0]=3 12580 B11R0.3 CCCCCCCCNCCI f2e870159bc574809ce3c7c46c194254 [0,2,0,0,0,0|1,0,0]=3 12581 B11R0.3 CCCCCCCCNCCO 66f15a321d735f67e99bb8bf0677de73 [0,2,0,0,0,0|1,0,0]=3 12582 B11R0.3 CCCCCCCCNCCS 9963fd311d7de210a2e1fa6fd8d2fe1f [0,2,0,0,0,0|1,0,0]=3 12583 B11R0.3 CCCCCCCCNCOC e4b94b479e34a7870530ff5432c0561c [0,2,0,0,0,0|1,0,0]=3 12584 B11R0.3 CCCCCCCCNCSC 362d682105cf82dab99b537514fd044b [0,2,0,0,0,0|1,0,0]=3 12585 B11R0.3 CCCCCCCCOCC#N 34434fafb1978e779020a7eb19fa5664 [0,2,0,0,0,0|1,0,1]=4 12586 B11R0.3 CCCCCCCCOCC=O 4b7128d965398d7a6aa7d6d1f071599b [0,2,0,0,0,0|1,0,1]=4 12587 B11R0.3 CCCCCCCCOCCC 5c55f182a5e0d29dd20e8f79767e7a77 [0,2,0,0,0,0|1,0,0]=3 12588 B11R0.3 CCCCCCCCOCCF e0dea6108899e149ace708160dd5e19a [0,2,0,0,0,0|1,0,0]=3 12589 B11R0.3 CCCCCCCCOCCS 51f3fbaf4c38beeef65f454daef36ed1 [0,2,0,0,0,0|1,0,0]=3 12590 B11R0.3 CCCCCCCCOCOC 7ef1d4d105bdb76da628aa577a4e9370 [0,2,0,0,0,0|1,0,0]=3 12591 B11R0.3 CCCCCCCCOCSC d725b23a00487d8000b0509a053a76b7 [0,2,0,0,0,0|1,0,0]=3 12592 B11R0.3 CCCCCCCNCCC#N b0447ed3ec330f598048ce2912e32794 [0,2,0,0,0,0|1,0,1]=4 12593 B11R0.3 CCCCCCCNCCC=O 89a048b0cb7fedfdc94b7b98d38db122 [0,2,0,0,0,0|1,0,1]=4 12594 B11R0.3 CCCCCCCNCCCC 36a5fecc81cda5ee533584053ef52c12 [0,2,0,0,0,0|1,0,0]=3 12595 B11R0.3 CCCCCCCNCCCCl f8ee8ff116da89d7af5396839da83b0c [0,2,0,0,0,0|1,0,0]=3 12596 B11R0.3 CCCCCCCNCCCF 906b08ea9b84bc278513d70a1bf0318f [0,2,0,0,0,0|1,0,0]=3 12597 B11R0.3 CCCCCCCNCCCO 15d41c00a29a7860828561fb02e66224 [0,2,0,0,0,0|1,0,0]=3 12598 B11R0.3 CCCCCCCNCCCS ecfb391744e4cf619ddb1431239249a3 [0,2,0,0,0,0|1,0,0]=3 12599 B11R0.3 CCCCCCCNCCOC 69cf410dbcae6250fa43ef62a2e446b9 [0,2,0,0,0,0|1,0,0]=3 12600 B11R0.3 CCCCCCCNCCON f930113a4574fbb3a759a5d6a5f56fb3 [0,2,0,0,0,0|2,0,0]=4 12601 B11R0.3 CCCCCCCNCCSC f2bda9ff673c32e61a51af258486ce04 [0,2,0,0,0,0|1,0,0]=3 12602 B11R0.3 CCCCCCCNCOCC 6085cc928a8612c71e1d4d6b1a7edbd3 [0,2,0,0,0,0|1,0,0]=3 12603 B11R0.3 CCCCCCCOCCC#N 2388aa86a539f8b7a76d16bb5de46da1 [0,2,0,0,0,0|1,0,1]=4 12604 B11R0.3 CCCCCCCOCCC=O 5cfef64155cbae6dbc467da4dd4c8b26 [0,2,0,0,0,0|1,0,1]=4 12605 B11R0.3 CCCCCCCOCCCC fa9669fb11a16db471e00134e33ec65d [0,2,0,0,0,0|0,0,0]=2 12606 B11R0.3 CCCCCCCOCCCF dc30ed190709942ca9892214ca06d346 [0,2,0,0,0,0|1,0,0]=3 12607 B11R0.3 CCCCCCCOCCCS 94ae84f911d880b1b60e67d5fe9456f9 [0,2,0,0,0,0|1,0,0]=3 12608 B11R0.3 CCCCCCCOCCOC da632fd4c8dbaa7e736986371e70812f [0,2,0,0,0,0|1,0,0]=3 12609 B11R0.3 CCCCCCCOCCSC 5d28dcb16e772f4082853bfc4000554e [0,2,0,0,0,0|1,0,0]=3 12610 B11R0.3 CCCCCCCOCOCC 79bd364aab6610fe1fe6d0e85e5d8630 [0,2,0,0,0,0|1,0,0]=3 12611 B11R0.3 CCCCCCNCCCC#N 6450adec55a2d1c5eb37d2630fc1a8de [0,2,0,0,0,0|1,0,1]=4 12612 B11R0.3 CCCCCCNCCCC=O 30f6c36223cd033769b129f975d8cef5 [0,2,0,0,0,0|1,0,1]=4 12613 B11R0.3 CCCCCCNCCCCC 49296b0c254283861aea5ee041198391 [0,2,0,0,0,0|1,0,0]=3 12614 B11R0.3 CCCCCCNCCCCCl c3c1177d24b9e0eb9ac340c3d5d2e01b [0,2,0,0,0,0|1,0,0]=3 12615 B11R0.3 CCCCCCNCCCCF 848e11d8bf36fce980201576831556b2 [0,2,0,0,0,0|1,0,0]=3 12616 B11R0.3 CCCCCCNCCCCO 5685819b9fdb19d77b1eb89b122e386d [0,2,0,0,0,0|1,0,0]=3 12617 B11R0.3 CCCCCCNCCCCS 7732486ecc35b82a80124c607ae7d41e [0,2,0,0,0,0|1,0,0]=3 12618 B11R0.3 CCCCCCNCCCOC bde578c8d9647d5e2aa98bc1bfc21a23 [0,2,0,0,0,0|1,0,0]=3 12619 B11R0.3 CCCCCCNCCCSC fc46d58af1e179cb34e9472ac483e123 [0,2,0,0,0,0|1,0,0]=3 12620 B11R0.3 CCCCCCNCCOCC 742e1d719e7bb4c2babe34eeefcd2441 [0,2,0,0,0,0|1,0,0]=3 12621 B11R0.3 CCCCCCNCCSCC 0a52927d0b06e6fdc29929d5c3f1e34e [0,2,0,0,0,0|1,0,0]=3 12622 B11R0.3 CCCCCCOCCCC#N 8b95e943d69c5b284df97a18edf37768 [0,2,0,0,0,0|0,0,1]=3 12623 B11R0.3 CCCCCCOCCCC=O 30a74e5ed2ff3a69b75905a761317e27 [0,2,0,0,0,0|0,0,1]=3 12624 B11R0.3 CCCCCCOCCCCC b4a731a4f44998aaa50eb10174d909fa [0,2,0,0,0,0|0,0,0]=2 12625 B11R0.3 CCCCCCOCCCCF 3b92ad47d9a4134451da9c78fd137d31 [0,2,0,0,0,0|0,0,0]=2 12626 B11R0.3 CCCCCCOCCCCS 50e196097c995a826b03c4a2c09a8f26 [0,2,0,0,0,0|0,0,0]=2 12627 B11R0.3 CCCCCCOCCCOC dc5eb90e321eb6669467912229a368ab [0,2,0,0,0,0|0,0,0]=2 12628 B11R0.3 CCCCCCOCCCSC e0ec46f8980185e6f6c90003593ede81 [0,2,0,0,0,0|0,0,0]=2 12629 B11R0.3 CCCCCCOCCNC=O fb691e1018824f2a54738e457bcaa32e [0,2,0,0,0,0|1,0,1]=4 12630 B11R0.3 CCCCCCOCCOC=O 226f5a01dfb1a391bf569a589b2c506d [0,2,0,0,0,0|1,0,1]=4 12631 B11R0.3 CCCCCCOCCOCC b30cb0c340af407e0ea99dea3465c010 [0,2,0,0,0,0|0,0,0]=2 12632 B11R0.3 CCCCCCOCCOCF 0b35ab31df5814af01719c9472e98535 [0,2,0,0,0,0|1,0,0]=3 12633 B11R0.3 CCCCCCOCCSCC 372c890bd26b1016f7be8971144c7fa4 [0,2,0,0,0,0|0,0,0]=2 12634 B11R0.3 CCCCCNCC#CCOC da58aa4669a448ee9e7c02b3e1627093 [0,2,0,0,0,0|1,0,1]=4 12635 B11R0.3 CCCCCNCCCCC#N eb4135188e2d680585d29cce5b56439d [0,2,0,0,0,0|1,0,0]=3 12636 B11R0.3 CCCCCNCCCCC=O ea129e49922b9d9682c373f7b912d205 [0,2,0,0,0,0|1,0,0]=3 12637 B11R0.3 CCCCCNCCCCCCl 8783a25d6d8306abaf43939f196da13e [0,2,0,0,0,0|1,0,0]=3 12638 B11R0.3 CCCCCNCCCCCF 13994f1eacfc3326220fe95f954366d9 [0,2,0,0,0,0|1,0,0]=3 12639 B11R0.3 CCCCCNCCCCCO 25d0eeb8faa7e77d0c7bc79c155084c3 [0,2,0,0,0,0|1,0,0]=3 12640 B11R0.3 CCCCCNCCCCOC 1ef55758759e7ac820d731e56ffe4a29 [0,2,0,0,0,0|1,0,0]=3 12641 B11R0.3 CCCCCNCCCCON 968b80605571535120584fa7e4f227ef [0,2,0,0,0,0|1,0,0]=3 12642 B11R0.3 CCCCCNCCCCSC 0e86bbf15c8e0b3c51d16bee56db84ad [0,2,0,0,0,0|1,0,0]=3 12643 B11R0.3 CCCCCNCCCOCC a1b38d8814819ddd88ad7e357f0539ab [0,2,0,0,0,0|1,0,0]=3 12644 B11R0.3 CCCCCNCCCSCC 6880dfdd42608112a8766448c64b5d7f [0,2,0,0,0,0|1,0,0]=3 12645 B11R0.3 CCCCCNCCOCC#N 5278be87755781b1b7d35bef7dadd250 [0,2,0,0,0,0|1,0,1]=4 12646 B11R0.3 CCCCCNCCOCC=O 3f66e4524b397737ead1caa774dffa49 [0,2,0,0,0,0|1,0,1]=4 12647 B11R0.3 CCCCCNCCOCCC 6590964a411046132458fdf2cb5c7ecf [0,2,0,0,0,0|1,0,0]=3 12648 B11R0.3 CCCCCNCCOCCO fe9162f54b5101a557bba86a31ce07e5 [0,2,0,0,0,0|1,0,0]=3 12649 B11R0.3 CCCCCNCCOCCS 52a6f8a0f3dadcc0d16bdf1fe0b53a2a [0,2,0,0,0,0|1,0,0]=3 12650 B11R0.3 CCCCCNCCOCOC 4b4c3c9890d79c9e5ab577b787db127a [0,2,0,0,0,0|1,0,0]=3 12651 B11R0.3 CCCCCNCCSCCO 7d0503daebc22b82247020334837979c [0,2,0,0,0,0|1,0,0]=3 12652 B11R0.3 CCCCCNCOCCCC 081ac8ceb579e9a15ccbe2c4b744ee08 [0,2,0,0,0,0|0,0,0]=2 12653 B11R0.3 CCCCCNCOCCOC 31103413105b8409b2d74111aec1513f [0,2,0,0,0,0|1,0,0]=3 12654 B11R0.3 CCCCCOCC#CCOC 672d19dae0e901aa77476f28f9ab98e6 [0,2,0,0,0,0|0,0,1]=3 12655 B11R0.3 CCCCCOCCCCC#N f774131c704fd02fd207b4ec8d1ef232 [0,2,0,0,0,0|0,0,0]=2 12656 B11R0.3 CCCCCOCCCCC=O be490e978aa800d48e6bb71673802e8a [0,2,0,0,0,0|0,0,0]=2 12657 B11R0.3 CCCCCOCCCCCF 755ae0a673d39bfc480773c3054368e3 [0,2,0,0,0,0|0,0,0]=2 12658 B11R0.3 CCCCCOCCCCOC 77f881265088d5fcfbbfeeadfcdedbe3 [0,2,0,0,0,0|0,0,0]=2 12659 B11R0.3 CCCCCOCCCCSC e423c097bc9500af43acd216c26ed988 [0,2,0,0,0,0|0,0,0]=2 12660 B11R0.3 CCCCCOCCCOCC 8f415b136edee3dd18226f52cdfec746 [0,2,0,0,0,0|0,0,0]=2 12661 B11R0.3 CCCCCOCCCOCF c33bd518a5f215807b3b35c7ab0d2ca8 [0,2,0,0,0,0|0,0,0]=2 12662 B11R0.3 CCCCCOCCCSCC d152f0f24c87dfe3226edda7a393a099 [0,2,0,0,0,0|0,0,0]=2 12663 B11R0.3 CCCCCOCCOCC#N 309a5795b058a5a10aa8a76a3998ebe3 [0,2,0,0,0,0|0,0,1]=3 12664 B11R0.3 CCCCCOCCOCC=O 02ddde86fbfd038a8465e02660be3929 [0,2,0,0,0,0|0,0,1]=3 12665 B11R0.3 CCCCCOCCOCCC d4de75a36e1b8e5b9990549c6c49ae3d [0,2,0,0,0,0|0,0,0]=2 12666 B11R0.3 CCCCCOCCOCCF d790705a0911d720a268deceea2719d3 [0,2,0,0,0,0|0,0,0]=2 12667 B11R0.3 CCCCCOCCOCCS 7f0c3084b1dfb5c617457c70637aba0b [0,2,0,0,0,0|0,0,0]=2 12668 B11R0.3 CCCCCOCCOCOC 98ce6174e9a56db04ba48aa3e92b800d [0,2,0,0,0,0|0,0,0]=2 12669 B11R0.3 CCCCCOCCOCSC e56b5d2d5148cac9562af6f95b02eb28 [0,2,0,0,0,0|0,0,0]=2 12670 B11R0.3 CCCCCOCCSCCC 21bdcee15ce66355f7e953e9a5281f3b [0,2,0,0,0,0|0,0,0]=2 12671 B11R0.3 CCCCCOCOCCCC 86472914284346b0726a97759e9dbdaa [0,2,0,0,0,0|0,0,0]=2 12672 B11R0.3 CCCCCOCOCCOC a861a36e793c668e1d429babe837739c [0,2,0,0,0,0|0,0,0]=2 12673 B11R0.3 CCCCNCCCCCC#N 0b58e470868dddf2978a6494ab4f0fc0 [0,2,0,0,0,0|1,0,0]=3 12674 B11R0.3 CCCCNCCCCCC=O 80098dd3accdff0dd2fb7e04b95bf055 [0,2,0,0,0,0|1,0,0]=3 12675 B11R0.3 CCCCNCCCCCCCl 3bdcfd90cd17bd199a4e9bcc6247866f [0,2,0,0,0,0|1,0,0]=3 12676 B11R0.3 CCCCNCCCCCCF 792221cff14901f03892dd5847f325ff [0,2,0,0,0,0|1,0,0]=3 12677 B11R0.3 CCCCNCCCCCCO 18d6e73a0410fdb75fe54fc241b9d145 [0,2,0,0,0,0|1,0,0]=3 12678 B11R0.3 CCCCNCCCCCOC 39dd48d6a9a161764daafb8fcb68720b [0,2,0,0,0,0|1,0,0]=3 12679 B11R0.3 CCCCNCCCCSCC d8057eb68ff4e6b1bad58785e39559a5 [0,2,0,0,0,0|1,0,0]=3 12680 B11R0.3 CCCCNCCCOCCC a8e094ffbc04acf2b37fcc10a222ad6f [0,2,0,0,0,0|1,0,0]=3 12681 B11R0.3 CCCCNCCCOCCO 32850fa71b14884181218189c49377fe [0,2,0,0,0,0|1,0,0]=3 12682 B11R0.3 CCCCNCCOCCCC 4097b86ff9dbcff8e0e0e2c01bfdae73 [0,2,0,0,0,0|0,0,0]=2 12683 B11R0.3 CCCCNCCOCCCO eab03d027dc4b54efeffdb94ff865b0b [0,2,0,0,0,0|1,0,0]=3 12684 B11R0.3 CCCCNCCOCCOC 472419cef473adbd9ebb816fafb87734 [0,2,0,0,0,0|1,0,0]=3 12685 B11R0.3 CCCCNCCOCCON ed385b228fc2de38f4cf6608d1580d1d [0,2,0,0,0,0|2,0,0]=4 12686 B11R0.3 CCCCNCCSSCCO 4d885374aa42249993a9c2a9851be368 [0,2,0,0,0,0|2,0,0]=4 12687 B11R0.3 CCCCOCCCCCC#N 14326dc401f4384d520a1d249b9ed9e3 [0,2,0,0,0,0|0,0,0]=2 12688 B11R0.3 CCCCOCCCCCC=O ab5f42922e3122d7a63b27a5b77b4744 [0,2,0,0,0,0|0,0,0]=2 12689 B11R0.3 CCCCOCCCCCCF e6318e3fdcb569518cd3fe082761a6a1 [0,2,0,0,0,0|0,0,0]=2 12690 B11R0.3 CCCCOCCCCCCS fa2178b537fd8baeb81a0372c65e968c [0,2,0,0,0,0|0,0,0]=2 12691 B11R0.3 CCCCOCCCCCOC c4be7294b2a58faf58d44793b81a4f41 [0,2,0,0,0,0|0,0,0]=2 12692 B11R0.3 CCCCOCCCNCC#N 77ec2fd1c4e573ec0344010d2a5e7c92 [0,2,0,0,0,0|0,0,1]=3 12693 B11R0.3 CCCCOCCCNCC=O 51360668e4805437707a653afd61126e [0,2,0,0,0,0|0,0,1]=3 12694 B11R0.3 CCCCOCCCNCCC eec5f12f47b8d62e22170a01b43a0a36 [0,2,0,0,0,0|0,0,0]=2 12695 B11R0.3 CCCCOCCCNCCF fc3ee668f79739b27fa11ac840921091 [0,2,0,0,0,0|0,0,0]=2 12696 B11R0.3 CCCCOCCCNCCO 1b728ab01da5a5273aeb7ba49c7ed3e1 [0,2,0,0,0,0|0,0,0]=2 12697 B11R0.3 CCCCOCCCNCCS e6c9cca9157bb6e9111d463275ea145e [0,2,0,0,0,0|0,0,0]=2 12698 B11R0.3 CCCCOCCCNCOC 2d388fa6cd20f8fd5188171dca327978 [0,2,0,0,0,0|0,0,0]=2 12699 B11R0.3 CCCCOCCCNCSC baceca8843f0773833b1ece84aca39b3 [0,2,0,0,0,0|0,0,0]=2 12700 B11R0.3 CCCCOCCCOCC#N 60ef3cf27102e629e5cd84ea3299df13 [0,2,0,0,0,0|0,0,1]=3 12701 B11R0.3 CCCCOCCCOCC=O 94ff9f42eaa47cb79d9ba42d23166912 [0,2,0,0,0,0|0,0,1]=3 12702 B11R0.3 CCCCOCCCOCCC 0e267ba7f302ce88de7473ef8eb67ac5 [0,2,0,0,0,0|0,0,0]=2 12703 B11R0.3 CCCCOCCCOCCF 475b892af5ff9e41110c151d7802e1dc [0,2,0,0,0,0|0,0,0]=2 12704 B11R0.3 CCCCOCCCOCCS ae5d9247445e5789d7d69b591a7f9ea9 [0,2,0,0,0,0|0,0,0]=2 12705 B11R0.3 CCCCOCCCOCOC 85b6440b2979c846fcccda16b109f66e [0,2,0,0,0,0|0,0,0]=2 12706 B11R0.3 CCCCOCCCOCSC e84908c8ce207436fef01373238ef0ec [0,2,0,0,0,0|0,0,0]=2 12707 B11R0.3 CCCCOCCNC/C=C/Cl efe3197f6d88e1dc1b947cd9fb4a05fd [0,2,0,0,0,0|0,0,2]=4 12708 B11R0.3 CCCCOCCNC/C=C\Cl a2d289813d778eb8c56275d00368967a [0,2,0,0,0,0|0,0,2]=4 12709 B11R0.3 CCCCOCCNC/C=C\O 000a296b7b08a321d5a8503d9f08c47e [0,2,0,0,0,0|0,0,2]=4 12710 B11R0.3 CCCCOCCNCCC#N 120f461a42aff3ce4c3d75da767e6be1 [0,2,0,0,0,0|0,0,1]=3 12711 B11R0.3 CCCCOCCNCCC=O a8d444442f32a79dfd039375bf013d64 [0,2,0,0,0,0|0,0,1]=3 12712 B11R0.3 CCCCOCCNCCCCl a573b69ca5064c03014f54fb74cde8f6 [0,2,0,0,0,0|0,0,0]=2 12713 B11R0.3 CCCCOCCNCCCF d2b22aff81922f1c8a6044f83ab6adf6 [0,2,0,0,0,0|0,0,0]=2 12714 B11R0.3 CCCCOCCNCCCO 5340adda7912922acbc1b94ebf3c67dd [0,2,0,0,0,0|0,0,0]=2 12715 B11R0.3 CCCCOCCNCCCS 2ca5bb7f1984922c14cda7718d1dc207 [0,2,0,0,0,0|0,0,0]=2 12716 B11R0.3 CCCCOCCNCCOC 21e7c6f132ed5d6625561fe1215c92e3 [0,2,0,0,0,0|0,0,0]=2 12717 B11R0.3 CCCCOCCNCCON 84fee37f480966a5588a913d54dc6279 [0,2,0,0,0,0|1,0,0]=3 12718 B11R0.3 CCCCOCCNCCSC d061fd1455585b3ddc85bb56e7708145 [0,2,0,0,0,0|0,0,0]=2 12719 B11R0.3 CCCCOCCNCOCC 7e5434f0986eb951dfbb826d86726bf5 [0,2,0,0,0,0|0,0,0]=2 12720 B11R0.3 CCCCOCCNCSC#N 66789aa51d797650f7c47a14b8d815d2 [0,2,0,0,0,0|1,0,1]=4 12721 B11R0.3 CCCCOCCOC/C=C/Cl 71efc6137ac2962679fc368a8b899dd5 [0,2,0,0,0,0|0,0,2]=4 12722 B11R0.3 CCCCOCCOC/C=C\Cl a7dd338e253f168ac046d034abbc3ae6 [0,2,0,0,0,0|0,0,2]=4 12723 B11R0.3 CCCCOCCOCC#CI 15c0f6d40d979a9b97228e67a4cdce0f [0,2,0,0,0,0|0,0,2]=4 12724 B11R0.3 CCCCOCCOCC=CCl 4f7de86a66c649b20d02b1c7923abbe6 [0,2,0,0,0,0|0,0,2]=4 12725 B11R0.3 CCCCOCCOCCC#N d5f3bf40036b6d2a77876c1cf2d883fc [0,2,0,0,0,0|0,0,1]=3 12726 B11R0.3 CCCCOCCOCCC=O 43bb9167f0019e7bf4dd6a6d2a1293b6 [0,2,0,0,0,0|0,0,1]=3 12727 B11R0.3 CCCCOCCOCCCC 88ee9046b462e34e38ad1fa133d32a9f [0,2,0,0,0,0|0,0,0]=2 12728 B11R0.3 CCCCOCCOCCCF 67a8b9f90f61c5b696c0e769e1650ee3 [0,2,0,0,0,0|0,0,0]=2 12729 B11R0.3 CCCCOCCOCCCS 8ab0046d0bc1b4753b456e54748a35fb [0,2,0,0,0,0|0,0,0]=2 12730 B11R0.3 CCCCOCCOCCOC 923922a189376a515952b31891623c1e [0,2,0,0,0,0|0,0,0]=2 12731 B11R0.3 CCCCOCCOCCSC 6604f7a0b6a290748961ba63d789af97 [0,2,0,0,0,0|0,0,0]=2 12732 B11R0.3 CCCCOCCOCOCC f82e6865445c9337c364f9a4f514fb7d [0,2,0,0,0,0|0,0,0]=2 12733 B11R0.3 CCCCOCCOCSC#N 9dcce0168bc77a18adf25a701dbdb8f8 [0,2,0,0,0,0|1,0,1]=4 12734 B11R0.3 CCCCOCCSCCCC 19ce1b75291094b8e50f1ed55e16a1aa [0,2,0,0,0,0|0,0,0]=2 12735 B11R0.3 CCCCOCNCC#CCO da2163e50e4ac80b4d000593f251e504 [0,2,0,0,0,0|0,0,2]=4 12736 B11R0.3 CCCCOCNCCCC#N a5a7978c7f1149867caec958be96215b [0,2,0,0,0,0|0,0,1]=3 12737 B11R0.3 CCCCOCNCCCCCl 2083d1f6a01d3bbeb19583d2ac06cf3e [0,2,0,0,0,0|0,0,0]=2 12738 B11R0.3 CCCCOCNCCCCO 70ef0ffa58df078c8e0d364ca5d503e8 [0,2,0,0,0,0|0,0,0]=2 12739 B11R0.3 CCCCOCNCCCCS d9ad9735824628eb14477f107a521ad7 [0,2,0,0,0,0|0,0,0]=2 12740 B11R0.3 CCCCOCNCCCOC bbcad5319992154d570147bcb94bc228 [0,2,0,0,0,0|0,0,0]=2 12741 B11R0.3 CCCCOCNCCCSC 5beec60a377e386c670de898128ff041 [0,2,0,0,0,0|0,0,0]=2 12742 B11R0.3 CCCCOCNCCOCC 2a391b47dfa3dda3891e9d0ea1f90e0b [0,2,0,0,0,0|0,0,0]=2 12743 B11R0.3 CCCCOCNCCSCC 1ddab26a0b967a95f1e37e10e1845100 [0,2,0,0,0,0|0,0,0]=2 12744 B11R0.3 CCCCOCOCCCC#N 900ae70112192aae938a5307cb154a7f [0,2,0,0,0,0|0,0,1]=3 12745 B11R0.3 CCCCOCOCCCC=O 2dac90867554786743bc67cb942b0c1a [0,2,0,0,0,0|0,0,1]=3 12746 B11R0.3 CCCCOCOCCCCF 8a3f7db58a0d7fc59a42a0b63bf0cd46 [0,2,0,0,0,0|0,0,0]=2 12747 B11R0.3 CCCCOCOCCCCS 82d4bbf28ed192aac2700a45952c3bfa [0,2,0,0,0,0|0,0,0]=2 12748 B11R0.3 CCCCOCOCCCOC a8db1f776d3a406aa0dbda6d3dbbf77c [0,2,0,0,0,0|0,0,0]=2 12749 B11R0.3 CCCCOCOCCCSC ab3731fc3f8e0d7432fbe164c1856906 [0,2,0,0,0,0|0,0,0]=2 12750 B11R0.3 CCCCOCOCCNC=O b061dbbd8427d0e92aa16205480c8fde [0,2,0,0,0,0|1,0,1]=4 12751 B11R0.3 CCCCOCOCCOC=O 45658f95e104830b11b50a0c60d7de55 [0,2,0,0,0,0|1,0,1]=4 12752 B11R0.3 CCCCOCOCCOCC 0c321a4cf0739ae4f240c3159fa215bb [0,2,0,0,0,0|0,0,0]=2 12753 B11R0.3 CCCCOCOCCSCC e73c02b10b04ed5d1b1d1a047c182161 [0,2,0,0,0,0|0,0,0]=2 12754 B11R0.3 CCCCSCCOCCC#N a6051b2d14c350e6ad31adc3bf7736e4 [0,2,0,0,0,0|0,1,1]=4 12755 B11R0.3 CCCCSCCOCCC=O 8fd98b5bde311fa54965c83769620999 [0,2,0,0,0,0|0,1,1]=4 12756 B11R0.3 CCCCSCCOCCCF df5cde64992cb7020d157be2237c7440 [0,2,0,0,0,0|0,1,0]=3 12757 B11R0.3 CCCCSCCOCCCS ef7b60ce538d96620cd7e228ba9d4bbb [0,2,0,0,0,0|0,1,0]=3 12758 B11R0.3 CCCCSCCOCCOC 674bddb10bd38c518ddd8f984d38b6e3 [0,2,0,0,0,0|0,1,0]=3 12759 B11R0.3 CCCCSCCOCCSC 7b00428115bce5dc4a4966853868cd71 [0,2,0,0,0,0|0,1,0]=3 12760 B11R0.3 CCCCSCCOCOCC f08d74cf071e53504960bc65842cfeb5 [0,2,0,0,0,0|0,1,0]=3 12761 B11R0.3 CCCNCCCCCCC#N 4a03a665874c81a396d2599457d6ffb2 [0,2,0,0,0,0|1,0,1]=4 12762 B11R0.3 CCCNCCCCCCC=O c21851ba291c00a5db0d5d6b91dbd36c [0,2,0,0,0,0|1,0,1]=4 12763 B11R0.3 CCCNCCCCCCCO b9bdd5d4ba49cb40d08e76ab3ff5907d [0,2,0,0,0,0|1,0,0]=3 12764 B11R0.3 CCCNCCCCCCOC 4cc724ecdc92cad169e909d861e0a8d7 [0,2,0,0,0,0|1,0,0]=3 12765 B11R0.3 CCCNCCCCSCCC 1bd349d17770da69cd8537cdf810b463 [0,2,0,0,0,0|1,0,0]=3 12766 B11R0.3 CCCNCCCCSCCO d04bddeaa2a1cf092556151ae569625c [0,2,0,0,0,0|2,0,0]=4 12767 B11R0.3 CCCNCCCOCCCO cc7c88677b085dca732d7c038ed7b397 [0,2,0,0,0,0|1,0,0]=3 12768 B11R0.3 CCCNCCCOCCOC 21a2b60576f7180e2609bc7903a80cb8 [0,2,0,0,0,0|1,0,0]=3 12769 B11R0.3 CCCNCCCOCCSC 6db91c6065de8432960aceeb2e22237b [0,2,0,0,0,0|1,0,0]=3 12770 B11R0.3 CCCNCCOCCOCC dd01d37482fc2261d9be247d1bf7d59c [0,2,0,0,0,0|0,0,0]=2 12771 B11R0.3 CCCOCCCCCCC#N 9024856da22e90c6fcb02d47a521883e [0,2,0,0,0,0|1,0,1]=4 12772 B11R0.3 CCCOCCCCCCC=O 94f0c4ecacac557229497fd5ef55ea31 [0,2,0,0,0,0|1,0,1]=4 12773 B11R0.3 CCCOCCCCCCOC d862a222b60c44ec0327d3c88d0db06b [0,2,0,0,0,0|1,0,0]=3 12774 B11R0.3 CCCOCCCNCCCCl 976d3429ea4df947928c7ec1c1a430bd [0,2,0,0,0,0|2,0,0]=4 12775 B11R0.3 CCCOCCCNCCCF beea6336dde30ae40faae0d1baeff597 [0,2,0,0,0,0|2,0,0]=4 12776 B11R0.3 CCCOCCCNCCCO 9d72e4e1d93e2950c3cbfe802f41f5a8 [0,2,0,0,0,0|2,0,0]=4 12777 B11R0.3 CCCOCCCNCCCS 933cc42ed43e7f3ac653e313cf636742 [0,2,0,0,0,0|2,0,0]=4 12778 B11R0.3 CCCOCCCNCCOC 09006f22053a9473dd2ecf0faf9d1dbb [0,2,0,0,0,0|2,0,0]=4 12779 B11R0.3 CCCOCCCNCCSC 4eb2d7e30d95ef7b7dfa4401388d2765 [0,2,0,0,0,0|2,0,0]=4 12780 B11R0.3 CCCOCCCNCOCC a2657cb1a38530b8919b9a9363091457 [0,2,0,0,0,0|2,0,0]=4 12781 B11R0.3 CCCOCCCOCCC#N 5afab48de6f6f23ccacd387a6399471c [0,2,0,0,0,0|1,0,1]=4 12782 B11R0.3 CCCOCCCOCCC=O 9ea405398ef924e3d18013f743b35505 [0,2,0,0,0,0|1,0,1]=4 12783 B11R0.3 CCCOCCCOCCCF fead04536b98d0ec4d60d151baedfaed [0,2,0,0,0,0|1,0,0]=3 12784 B11R0.3 CCCOCCCOCCCS 2058ea52a314c12677dd46ae3c5161bb [0,2,0,0,0,0|1,0,0]=3 12785 B11R0.3 CCCOCCCOCCOC b45c1c8965f57a40eddaa52ae89db535 [0,2,0,0,0,0|1,0,0]=3 12786 B11R0.3 CCCOCCCOCCSC f02e1b253d8498cfb3dd746638cfb211 [0,2,0,0,0,0|1,0,0]=3 12787 B11R0.3 CCCOCCNCCCC#N 989d3a778ac445d03ba944a2974432fc [0,2,0,0,0,0|1,0,1]=4 12788 B11R0.3 CCCOCCNCCCC=O 367befcb66d3e5dd9daa0507bec3d17f [0,2,0,0,0,0|1,0,1]=4 12789 B11R0.3 CCCOCCNCCCCCl 162ef68df9b6a388f8012ad60d45ac2a [0,2,0,0,0,0|1,0,0]=3 12790 B11R0.3 CCCOCCNCCCCF 3f4b9d990390bad3a82446661ed6d2bf [0,2,0,0,0,0|1,0,0]=3 12791 B11R0.3 CCCOCCNCCCCO 70b00fa7cf8b30f826b13f431dd86bf5 [0,2,0,0,0,0|1,0,0]=3 12792 B11R0.3 CCCOCCNCCCCS c66f176f4ef5162f1ec149782e4860d5 [0,2,0,0,0,0|1,0,0]=3 12793 B11R0.3 CCCOCCNCCCOC b3e51a32642c68fe9c9befe1452fd528 [0,2,0,0,0,0|1,0,0]=3 12794 B11R0.3 CCCOCCNCCCSC 164549f6be69e6f2663fdcd523037d69 [0,2,0,0,0,0|1,0,0]=3 12795 B11R0.3 CCCOCCNCCOCC 6dba694f2c2223ae97909267404230d2 [0,2,0,0,0,0|1,0,0]=3 12796 B11R0.3 CCCOCCNCCSCC e2fa629f3db323e9363c7537880a72bc [0,2,0,0,0,0|1,0,0]=3 12797 B11R0.3 CCCOCCOCCCC#N 92de8d4840bfe4ce0a9318943c9db6b4 [0,2,0,0,0,0|0,0,1]=3 12798 B11R0.3 CCCOCCOCCCC=O ea74ad93f7f42fe064b37576b5f19dee [0,2,0,0,0,0|0,0,1]=3 12799 B11R0.3 CCCOCCOCCCCF c7a9069dfd50ce52e3c8b784baccee2d [0,2,0,0,0,0|0,0,0]=2 12800 B11R0.3 CCCOCCOCCCCS d760be8e31e1485f79c7e0241dfbe160 [0,2,0,0,0,0|0,0,0]=2 12801 B11R0.3 CCCOCCOCCCOC 94a3518c2624d66b851b16c19c06851d [0,2,0,0,0,0|0,0,0]=2 12802 B11R0.3 CCCOCCOCCCSC 5a4b14f13da6370d7cc78906f36d8910 [0,2,0,0,0,0|0,0,0]=2 12803 B11R0.3 CCCOCCOCCNC=O 1174d49e5aec3bb45426daa599fc0dd3 [0,2,0,0,0,0|1,0,1]=4 12804 B11R0.3 CCCOCCOCCOC=O 5b0cb9267e560c3c06133ce55aa85d65 [0,2,0,0,0,0|1,0,1]=4 12805 B11R0.3 CCCOCCOCCOCC 216199852210171a852cee3ed24f0cd9 [0,2,0,0,0,0|0,0,0]=2 12806 B11R0.3 CCCOCCOCCSCC 69568cd4359f040168ba8a11aa36263c [0,2,0,0,0,0|0,0,0]=2 12807 B11R0.3 CCCSCCCCNCCF af91762c76d0fd7db6e68eef4ebc6cfa [0,2,0,0,0,0|2,0,0]=4 12808 B11R0.3 CCCSCCCCNCCO 3b0b75358eae887295526550355e7be4 [0,2,0,0,0,0|2,0,0]=4 12809 B11R0.3 CCCSCCCCNCCS 9d655333043426788303b5a0cf5a4883 [0,2,0,0,0,0|2,0,0]=4 12810 B11R0.3 CCCSCCCCNCOC b1f1458df9b9b017f6ba159f69c56340 [0,2,0,0,0,0|2,0,0]=4 12811 B11R0.3 CCCSCCCCNCSC c8eadedb0a0dd3ff4357ef8b5cfdc505 [0,2,0,0,0,0|2,0,0]=4 12812 B11R0.3 CCCSCCOCCCC#N 7b569784541dcd987e796581c5a02531 [0,2,0,0,0,0|0,0,1]=3 12813 B11R0.3 CCCSCCOCCCC=O 600c33f2feed5a99f1ab4bbaa43a3bd1 [0,2,0,0,0,0|0,0,1]=3 12814 B11R0.3 CCCSCCOCCCCF 0f749b58d82b95fb3c028431be70133d [0,2,0,0,0,0|0,0,0]=2 12815 B11R0.3 CCCSCCOCCCOC 25d46a14a7f6e4679d7def9488b4cac6 [0,2,0,0,0,0|0,0,0]=2 12816 B11R0.3 CCCSCCOCCCSC 1b6b02389424efbd8c409790507a9b51 [0,2,0,0,0,0|0,0,0]=2 12817 B11R0.3 CCCSCCOCCOCC dfddf07b0ffcfb1fe4e06738a0bf8f0a [0,2,0,0,0,0|0,0,0]=2 12818 B11R0.3 CCCSCCOCCSCC 55e4c1503103e5cc6a5b31ffc4df388f [0,2,0,0,0,0|0,0,0]=2 12819 B11R0.3 CCNCCCCCCCCO c4c346164b321e06a97af679d071f408 [0,2,0,0,0,0|1,0,0]=3 12820 B11R0.3 CCNCCCCOCCOC 3ca0e5ea4c8eb0fa45b4a07e1fe0ea11 [0,2,0,0,0,0|1,0,0]=3 12821 B11R0.3 CCNCCOCCOCCF 5a7d2ab07be4ca0760494f0a22a61b5c [0,2,0,0,0,0|1,0,0]=3 12822 B11R0.3 CCNCCOCCOCCO 18283c7c776bf848293f2c6f0ee76794 [0,2,0,0,0,0|1,0,0]=3 12823 B11R0.3 CCOCCCNCCCC#N fe1b563394d1c0e5b87723d95a7ca3dd [0,2,0,0,0,0|1,0,1]=4 12824 B11R0.3 CCOCCCNCCCC=O 542b1613ecfee7b742cfddac50e7e775 [0,2,0,0,0,0|1,0,1]=4 12825 B11R0.3 CCOCCCNCCCCCl 3c5cc3cadf4481f330f05cef849b3d8b [0,2,0,0,0,0|1,0,0]=3 12826 B11R0.3 CCOCCCNCCCCF fd61b3c356fe6fb3d5a32826b87bdb72 [0,2,0,0,0,0|1,0,0]=3 12827 B11R0.3 CCOCCCNCCCCO 5344e4c8236b7eda1a4068b527b5b268 [0,2,0,0,0,0|1,0,0]=3 12828 B11R0.3 CCOCCCNCCCCS 800cd6b86dd5aae04a941012cf94d624 [0,2,0,0,0,0|1,0,0]=3 12829 B11R0.3 CCOCCCNCCCOC 6240eb140c1834a6e47d307313bfb851 [0,2,0,0,0,0|1,0,0]=3 12830 B11R0.3 CCOCCCNCCCSC 982ab3bceb8f8173d5b13789a6abaa85 [0,2,0,0,0,0|1,0,0]=3 12831 B11R0.3 CCOCCCNCCOCC 5d287b0d76773211050b1421c12da649 [0,2,0,0,0,0|1,0,0]=3 12832 B11R0.3 CCOCCCNCCSCC 21dac26fa0359d05272cb998e9fce472 [0,2,0,0,0,0|1,0,0]=3 12833 B11R0.3 CCOCCCOCCCC#N 2d4a3dbdd548b86de33fbe78594791d8 [0,2,0,0,0,0|0,0,1]=3 12834 B11R0.3 CCOCCCOCCCC=O 059d31c5447ede56a7b0d577b20a2e41 [0,2,0,0,0,0|0,0,1]=3 12835 B11R0.3 CCOCCCOCCCCF 3271ee24b75a7a7849d69fe84142dfd2 [0,2,0,0,0,0|0,0,0]=2 12836 B11R0.3 CCOCCCOCCCCS 44e0897e9fc7f97388381f9de6e05e6d [0,2,0,0,0,0|0,0,0]=2 12837 B11R0.3 CCOCCCOCCCOC 40182d05191b497fff008d827a9d32f2 [0,2,0,0,0,0|0,0,0]=2 12838 B11R0.3 CCOCCCOCCCSC 0f83e1119c68104926e8ec44720da875 [0,2,0,0,0,0|0,0,0]=2 12839 B11R0.3 CCOCCCOCCNC=O 11f10a8b39c82c885f2d4f290d9fe770 [0,2,0,0,0,0|1,0,1]=4 12840 B11R0.3 CCOCCCOCCOC=O 41317e1fd6863e4785c8a2a1cb03ecbb [0,2,0,0,0,0|1,0,1]=4 12841 B11R0.3 CCOCCCOCCOCC 3b74ed71e97167ba2616a8fefee021c4 [0,2,0,0,0,0|0,0,0]=2 12842 B11R0.3 CCOCCCOCCSCC 5f71b4605e4476d14c8e844089a8fc57 [0,2,0,0,0,0|0,0,0]=2 12843 B11R0.3 CCOCCNCCCCC#N 5080c9460e9073945bde13f473f5123a [0,2,0,0,0,0|1,0,1]=4 12844 B11R0.3 CCOCCNCCCCC=O 0d9a7feea148a34ff8c8ffe115bb2069 [0,2,0,0,0,0|1,0,1]=4 12845 B11R0.3 CCOCCNCCCCCCl 2c628e5cf4f5fde13611b6640e927c10 [0,2,0,0,0,0|1,0,0]=3 12846 B11R0.3 CCOCCNCCCCCF 708d1a165774c22e31411aeab335b2d2 [0,2,0,0,0,0|1,0,0]=3 12847 B11R0.3 CCOCCNCCCCCO 27b36f1102de2cdc4a6ba0f3ebe9da1f [0,2,0,0,0,0|1,0,0]=3 12848 B11R0.3 CCOCCNCCCCOC 17260e50e2d37a1eeb8b7ef1b4744651 [0,2,0,0,0,0|1,0,0]=3 12849 B11R0.3 CCOCCNCCCCON dad64507791237ca11e7671a8b4f985f [0,2,0,0,0,0|2,0,0]=4 12850 B11R0.3 CCOCCNCCCCSC 4353f20b3bc2a33712c4f0000fd690d0 [0,2,0,0,0,0|1,0,0]=3 12851 B11R0.3 CCOCCNCCCSCC 9da5695d5cb7f8091db5f8df520bebf3 [0,2,0,0,0,0|1,0,0]=3 12852 B11R0.3 CCOCCNCCOCCO 8bc1e5bb9969b577b4b49921e8ee345d [0,2,0,0,0,0|2,0,0]=4 12853 B11R0.3 CCOCCNCCOCCS 17a638e572312bcbc56726d08b111676 [0,2,0,0,0,0|2,0,0]=4 12854 B11R0.3 CCOCCNCCOCOC 575b27c1f5c0b7c0570ed7dea1eaedac [0,2,0,0,0,0|2,0,0]=4 12855 B11R0.3 CCOCCNCCSCCO 7298151a296c100ce5b9f5e57ceeebb9 [0,2,0,0,0,0|2,0,0]=4 12856 B11R0.3 CCOCCNCOCCOC 529ff829797044ac02d763f697eba946 [0,2,0,0,0,0|1,0,0]=3 12857 B11R0.3 CCOCCOCC#CCOC dfa25b91e465ffd1809ced24ea8954aa [0,2,0,0,0,0|0,0,2]=4 12858 B11R0.3 CCOCCOCCCCC#N 4e1ca39f683a0da189a363f3f94981c9 [0,2,0,0,0,0|0,0,1]=3 12859 B11R0.3 CCOCCOCCCCC=O 09c87bf7ea35bea11e509e5060aab89b [0,2,0,0,0,0|0,0,1]=3 12860 B11R0.3 CCOCCOCCCCCF 9d685e8165aff605209a936844c31f52 [0,2,0,0,0,0|0,0,0]=2 12861 B11R0.3 CCOCCOCCCCOC d48c9952f9e6a97996c51898e03bbbe8 [0,2,0,0,0,0|0,0,0]=2 12862 B11R0.3 CCOCCOCCCCSC d536f941d8362407f26baf6febd9b15f [0,2,0,0,0,0|0,0,0]=2 12863 B11R0.3 CCOCCOCCCSCC 199e5695527247a2dde4b82b56782bc8 [0,2,0,0,0,0|0,0,0]=2 12864 B11R0.3 CCOCCOCCNCC#N 4e916ea970d817cd6ef7ddbe3cb9e862 [0,2,0,0,0,0|1,0,1]=4 12865 B11R0.3 CCOCCOCCNCC=O b689650d5ee40a3f071efec752039f95 [0,2,0,0,0,0|1,0,1]=4 12866 B11R0.3 CCOCCOCCNCCBr 7582a57770c1751bfded529e8dba7b1c [0,2,0,0,0,0|1,0,0]=3 12867 B11R0.3 CCOCCOCCNCCF 84ba602d359eec8c0016d539708f5a5f [0,2,0,0,0,0|1,0,0]=3 12868 B11R0.3 CCOCCOCCNCCI 7c440150c8705a6bcf7974d9d73e4fbd [0,2,0,0,0,0|1,0,0]=3 12869 B11R0.3 CCOCCOCCNCCO 87b75d27129c9aace282c7eed254fa19 [0,2,0,0,0,0|1,0,0]=3 12870 B11R0.3 CCOCCOCCNCCS b649e4ab6f5946860007b68fff5a0b38 [0,2,0,0,0,0|1,0,0]=3 12871 B11R0.3 CCOCCOCCNCOC a74947789fbf4f1a3aeba72d6f594270 [0,2,0,0,0,0|1,0,0]=3 12872 B11R0.3 CCOCCOCCNCSC bf7dba46da8fb75bdd3642246d6ba219 [0,2,0,0,0,0|1,0,0]=3 12873 B11R0.3 CCOCCOCCOCC#N 6d0d9fed0aab3a33fd7d320b461c79b6 [0,2,0,0,0,0|1,0,1]=4 12874 B11R0.3 CCOCCOCCOCC=O c3eef9b946cfa7dfe4a6abd3ce4b0383 [0,2,0,0,0,0|1,0,1]=4 12875 B11R0.3 CCOCCOCCOCCF 03061a43ca00e420d3de01013b383d5e [0,2,0,0,0,0|1,0,0]=3 12876 B11R0.3 CCOCCOCCOCCS e221f6c5c76193157aba6b39018bd0ab [0,2,0,0,0,0|1,0,0]=3 12877 B11R0.3 CCOCCOCCOCOC 7d593b997c45c9eada6e5f19ce10176b [0,2,0,0,0,0|1,0,0]=3 12878 B11R0.3 CCOCCOCCOCSC 9eb512df786271653f0302b9bb9b3e77 [0,2,0,0,0,0|1,0,0]=3 12879 B11R0.3 CCOCCOCOCCOC 058a94202684493a8f2af1b63e9182ee [0,2,0,0,0,0|1,0,0]=3 12880 B11R0.3 CCOCNCCCCCC#N 54497596d55eeee386b139cc025c59b0 [0,2,0,0,0,0|2,0,0]=4 12881 B11R0.3 CCOCNCCCCCCCl 108a52c9a3428f0fdb9342255d3755df [0,2,0,0,0,0|2,0,0]=4 12882 B11R0.3 CCOCNCCCCCCO 4835c13118ef3e10b732a77116c06de2 [0,2,0,0,0,0|2,0,0]=4 12883 B11R0.3 CCOCNCCCCCOC ee559d0336c8b617557672a6342acf19 [0,2,0,0,0,0|2,0,0]=4 12884 B11R0.3 CCOCNCCCCSCC 0307b138ac181199ee9faf28945100ed [0,2,0,0,0,0|2,0,0]=4 12885 B11R0.3 CCOCNCCCOCCO 8ce231c0bb79b38c38ca2ae26362ee07 [0,2,0,0,0,0|2,0,0]=4 12886 B11R0.3 CCOCNCCOCCCO 6a7e06ae7ee08b831d3b65d9f063c2f2 [0,2,0,0,0,0|1,0,0]=3 12887 B11R0.3 CCOCNCCOCCOC 6a92cbfb1117a60dc7d8abc1187c9472 [0,2,0,0,0,0|1,0,0]=3 12888 B11R0.3 CCOCNCCOCCON 51e397ef6af326649681556d810d760f [0,2,0,0,0,0|2,0,0]=4 12889 B11R0.3 CCOCOCCCCCC#N dc4a438405c8ca3e43286bbe9dddcaf5 [0,2,0,0,0,0|1,0,0]=3 12890 B11R0.3 CCOCOCCCCCCF da3ccda5898c5ff5a7fd36c036ea136b [0,2,0,0,0,0|1,0,0]=3 12891 B11R0.3 CCOCOCCCCCCS 76b3989c316783ec373f2b83c7a231a1 [0,2,0,0,0,0|1,0,0]=3 12892 B11R0.3 CCOCOCCCOCC#N 44a437e4bca093b0b549cf94d5e5816b [0,2,0,0,0,0|1,0,1]=4 12893 B11R0.3 CCOCOCCOCCC#N bdaa0da05363e779ff1da9a6d18b0bac [0,2,0,0,0,0|1,0,1]=4 12894 B11R0.3 CCOCOCCOCCOC 000111371fc4b7fb90388c5642279b2a [0,2,0,0,0,0|1,0,0]=3 12895 B11R0.3 CCSCCCCNCCCF 174fe0af7b3a24ed6f8218929e8991cf [0,2,0,0,0,0|2,0,0]=4 12896 B11R0.3 CCSCCCCNCCCO 5108aa514b949963955e6eabedae88db [0,2,0,0,0,0|2,0,0]=4 12897 B11R0.3 CCSCCCCNCCCS 8f7b9d1fcb442355929f66defcb05e49 [0,2,0,0,0,0|2,0,0]=4 12898 B11R0.3 CCSCCCCNCCOC 5017177987dfdcb29c18aad55825b8de [0,2,0,0,0,0|2,0,0]=4 12899 B11R0.3 CCSCCCCNCCSC d89b07d196e76ff10a493dda4edd13a0 [0,2,0,0,0,0|2,0,0]=4 12900 B11R0.3 CCSCCCNCCCC#N 6b2efb6814e26a92aee68e5d74e35e83 [0,2,0,0,0,0|1,0,1]=4 12901 B11R0.3 CCSCCCNCCCCCl 53d3fa8b098aef9955bc3138718932d6 [0,2,0,0,0,0|1,0,0]=3 12902 B11R0.3 CCSCCCNCCCCO 3f45715406f57e5f60f30a201316f03c [0,2,0,0,0,0|1,0,0]=3 12903 B11R0.3 CCSCCCNCCCCS 4f738c1480fe783f3a0ab15adaf3cc78 [0,2,0,0,0,0|1,0,0]=3 12904 B11R0.3 CCSCCCNCCCOC 649a1f9ea7c5a4098c2dd31a7d1ce47b [0,2,0,0,0,0|1,0,0]=3 12905 B11R0.3 CCSCCCNCCCSC 0173f7cfc52002c7de76d6a0fb502fd2 [0,2,0,0,0,0|1,0,0]=3 12906 B11R0.3 CCSCCCNCCSCC 94a517e3aed6ecb86342b5cbdcda04e4 [0,2,0,0,0,0|1,0,0]=3 12907 B11R0.3 CCSCCCOCCCC#N a09083e180983c760e7c6b4c8db8e7fe [0,2,0,0,0,0|0,0,1]=3 12908 B11R0.3 CCSCCCOCCCC=O 15960c9ce1ecf536bedf9506fa0231c4 [0,2,0,0,0,0|0,0,1]=3 12909 B11R0.3 CCSCCCOCCCCF 377874639339be73bce6d9bd8a563987 [0,2,0,0,0,0|0,0,0]=2 12910 B11R0.3 CCSCCCOCCCCS 85f63a92aeb2475bacfe44fe435e1b1f [0,2,0,0,0,0|0,0,0]=2 12911 B11R0.3 CCSCCCOCCCOC 61f946ed070d067f58774f47c5427ef0 [0,2,0,0,0,0|0,0,0]=2 12912 B11R0.3 CCSCCCOCCCSC 889ca8c82ca2f4946c44e5f9fce097a8 [0,2,0,0,0,0|0,0,0]=2 12913 B11R0.3 CCSCCCOCCNC=O eb55a31610f7c3e635c20a584e834d2d [0,2,0,0,0,0|1,0,1]=4 12914 B11R0.3 CCSCCCOCCOC=O 8f59755222310d52632bd9975dacd9e2 [0,2,0,0,0,0|1,0,1]=4 12915 B11R0.3 CCSCCCOCCSCC 61c9206b8867585fb48fcbc126635161 [0,2,0,0,0,0|0,0,0]=2 12916 B11R0.3 CCSCCNCCCCC#N 22c0d5a9a5335fc876761f7e948590d9 [0,2,0,0,0,0|1,0,1]=4 12917 B11R0.3 CCSCCNCCCCC=O bee637c8a29ef2414e5d63646cab5d02 [0,2,0,0,0,0|1,0,1]=4 12918 B11R0.3 CCSCCNCCCCCCl 5ad8b16006a9d2b4257ce7e64f24fa65 [0,2,0,0,0,0|1,0,0]=3 12919 B11R0.3 CCSCCNCCCCCF 617fd8f8b7607eac2b15cc64dcd72128 [0,2,0,0,0,0|1,0,0]=3 12920 B11R0.3 CCSCCNCCCCCO c237c5e88849ade6744fbc610974bc9c [0,2,0,0,0,0|1,0,0]=3 12921 B11R0.3 CCSCCNCCCCOC b2bc63701a7a4de60507e833007d8552 [0,2,0,0,0,0|1,0,0]=3 12922 B11R0.3 CCSCCNCCCCON fec4f3333743b2c09801f006620a8067 [0,2,0,0,0,0|2,0,0]=4 12923 B11R0.3 CCSCCNCCCCSC 899507c73125cb19b9decdc1e56eb2e8 [0,2,0,0,0,0|1,0,0]=3 12924 B11R0.3 CCSCCNCCOCCO 88d133afa277b61df3c13ddb7aa094da [0,2,0,0,0,0|2,0,0]=4 12925 B11R0.3 CCSCCNCCOCCS f3d5b0e80562b2e8893bfcc1b5241787 [0,2,0,0,0,0|2,0,0]=4 12926 B11R0.3 CCSCCNCCOCOC 3e68b2101cb248eba6ac870d782fffbe [0,2,0,0,0,0|2,0,0]=4 12927 B11R0.3 CCSCCNCCSCCO 4568bcac9c4204a71fc0d3d8257a66d0 [0,2,0,0,0,0|2,0,0]=4 12928 B11R0.3 CCSCCNCOCCOC 6fb8756feff8269df181dd549333b78f [0,2,0,0,0,0|1,0,0]=3 12929 B11R0.3 CCSCCOCC#CCOC a184ce7d695ffe614149a4a02b9abc50 [0,2,0,0,0,0|0,0,2]=4 12930 B11R0.3 CCSCCOCCCCC#N 4e4e640b7c7957c90e7dca3c5a819bc6 [0,2,0,0,0,0|0,0,1]=3 12931 B11R0.3 CCSCCOCCCCC=O ca432a5bc820f57de7098ee41d5a9f89 [0,2,0,0,0,0|0,0,1]=3 12932 B11R0.3 CCSCCOCCCCCF 1e35344b6f7f81019a0a58c1847e7ca1 [0,2,0,0,0,0|0,0,0]=2 12933 B11R0.3 CCSCCOCCCCOC 45721489c9dbc6702653b5c114e9fd50 [0,2,0,0,0,0|0,0,0]=2 12934 B11R0.3 CCSCCOCCCCSC 19a57dd16e0c2584fe21798ed5140e5c [0,2,0,0,0,0|0,0,0]=2 12935 B11R0.3 CCSCCOCCOCC#N b5f4c41f0e016188840a6132933070cd [0,2,0,0,0,0|1,0,1]=4 12936 B11R0.3 CCSCCOCCOCC=O e3c1fe80772c9f8b407b45d93ae9be61 [0,2,0,0,0,0|1,0,1]=4 12937 B11R0.3 CCSCCOCCOCCF b8acec9ae6bebd3b31dce43bbe68ccf8 [0,2,0,0,0,0|1,0,0]=3 12938 B11R0.3 CCSCCOCCOCCS 456d700b80dce3a2e793499700dce219 [0,2,0,0,0,0|1,0,0]=3 12939 B11R0.3 CCSCCOCCOCOC c796de05437342bc895204eac4d5ee2a [0,2,0,0,0,0|1,0,0]=3 12940 B11R0.3 CCSCCOCOCCOC 43977821bb3f8c21aaf343cc9fc3530e [0,2,0,0,0,0|1,0,0]=3 12941 B11R0.3 COCC#CCOCCCCF 93b3b3836b757ed1ca7e0c4547f6a38e [0,2,0,0,0,0|0,0,2]=4 12942 B11R0.3 COCC#CCOCCCCS d815389eecd64c1a71e6b2edbddd1bfb [0,2,0,0,0,0|0,0,2]=4 12943 B11R0.3 COCC#CCOCCCOC cce7d966dde619775eba68d8fb7739c0 [0,2,0,0,0,0|0,0,2]=4 12944 B11R0.3 COCC#CCOCCCSC f86040f382c0014fce45fa2284f400ff [0,2,0,0,0,0|0,0,2]=4 12945 B11R0.3 COCCCCCCNCCBr 086e4cef0bb60111a718996f4b1c7979 [0,2,0,0,0,0|2,0,0]=4 12946 B11R0.3 COCCCCCCNCCF f820df48575d617cde70ec0ab3e8fac8 [0,2,0,0,0,0|2,0,0]=4 12947 B11R0.3 COCCCCCCNCCI bedf8cbe397828764ba0c38c4b1bbd45 [0,2,0,0,0,0|2,0,0]=4 12948 B11R0.3 COCCCCCCNCCO dc0846fae655ca426b0f0faf9c3bd2cb [0,2,0,0,0,0|2,0,0]=4 12949 B11R0.3 COCCCCCCNCCS d266b24707412722b9116b45b726de82 [0,2,0,0,0,0|2,0,0]=4 12950 B11R0.3 COCCCCCCOCCF 926dfd4d23a90e9f4d09925353f205ce [0,2,0,0,0,0|2,0,0]=4 12951 B11R0.3 COCCCCCCOCCS 53553bdfabf38e0812614173f739cc28 [0,2,0,0,0,0|2,0,0]=4 12952 B11R0.3 COCCCCCCOCOC 55b1b5a53aa01a60b8e8f83f9d3f2f1e [0,2,0,0,0,0|2,0,0]=4 12953 B11R0.3 COCCCCCCOCSC 2b2ccef6b327669bc8339d38fa70cba9 [0,2,0,0,0,0|2,0,0]=4 12954 B11R0.3 COCCCCCNCCCCl 0805fce347c9d99addd29ece536cc048 [0,2,0,0,0,0|2,0,0]=4 12955 B11R0.3 COCCCCCNCCCF 87a89127100c4f74832188aa87c449fd [0,2,0,0,0,0|2,0,0]=4 12956 B11R0.3 COCCCCCNCCCO fbd1ff608f55b41ca56f5aac36b457c4 [0,2,0,0,0,0|2,0,0]=4 12957 B11R0.3 COCCCCCNCCCS 8b8e8a231593321e4e5ce6f92bce34bb [0,2,0,0,0,0|2,0,0]=4 12958 B11R0.3 COCCCCCNCCOC 00518996005f7fdf2b4da5fbfcfef00b [0,2,0,0,0,0|2,0,0]=4 12959 B11R0.3 COCCCCCNCCSC 713f5e7341fb53e7bc2f148d88f18f57 [0,2,0,0,0,0|2,0,0]=4 12960 B11R0.3 COCCCCCOCCC#N a8bf3d9b60082cb75ea12d28470186da [0,2,0,0,0,0|1,0,1]=4 12961 B11R0.3 COCCCCCOCCC=O 55b7aa6cebf6bec34fde917474854c4d [0,2,0,0,0,0|1,0,1]=4 12962 B11R0.3 COCCCCCOCCCF 902e1780f14ffb3e81c78f20d2f302a6 [0,2,0,0,0,0|1,0,0]=3 12963 B11R0.3 COCCCCCOCCCS 56668d5d554d73624d3313f15e475ffa [0,2,0,0,0,0|1,0,0]=3 12964 B11R0.3 COCCCCCOCCOC c5a5b4c7a76488e6eb9713fb8b50997a [0,2,0,0,0,0|1,0,0]=3 12965 B11R0.3 COCCCCCOCCSC 7529523b00836f5486ad9b330e783a38 [0,2,0,0,0,0|1,0,0]=3 12966 B11R0.3 COCCCCNCCCC#N a94798019d718d24df54d5c8e357eca1 [0,2,0,0,0,0|1,0,1]=4 12967 B11R0.3 COCCCCNCCCC=O d859ac0edcc667b121095a8ec34e067d [0,2,0,0,0,0|1,0,1]=4 12968 B11R0.3 COCCCCNCCCCCl 3ec64085b5ecc4dc8bded727b2c19651 [0,2,0,0,0,0|1,0,0]=3 12969 B11R0.3 COCCCCNCCCCF d0ffc027d9bd680e79466e6a81103f75 [0,2,0,0,0,0|1,0,0]=3 12970 B11R0.3 COCCCCNCCCCO 26d966c5b17e730d4323185dce89b754 [0,2,0,0,0,0|1,0,0]=3 12971 B11R0.3 COCCCCNCCCCS 3382028f1c48b0c37e158535d128651f [0,2,0,0,0,0|1,0,0]=3 12972 B11R0.3 COCCCCNCCCOC d68aa085309c72d39f1fe0a8507d8bb4 [0,2,0,0,0,0|1,0,0]=3 12973 B11R0.3 COCCCCNCCCSC abccb8707d017aec350c74f4c3b7cf26 [0,2,0,0,0,0|1,0,0]=3 12974 B11R0.3 COCCCCOCCCC#N 1135d4a5d4c83833d67213b718481bab [0,2,0,0,0,0|0,0,1]=3 12975 B11R0.3 COCCCCOCCCC=O 77330a6541aca855a46d47f98c624a43 [0,2,0,0,0,0|0,0,1]=3 12976 B11R0.3 COCCCCOCCCCF 10a1ee1e00b076cb4b21e7dc6073be29 [0,2,0,0,0,0|0,0,0]=2 12977 B11R0.3 COCCCCOCCCCS a184c313f94ac4f21e1688c1f5f859b9 [0,2,0,0,0,0|0,0,0]=2 12978 B11R0.3 COCCCCOCCCOC c52e5a6cb0ebc7dead591809feea9760 [0,2,0,0,0,0|0,0,0]=2 12979 B11R0.3 COCCCCOCCCSC 53fed3fdeda439d0b8e349222ff25f1e [0,2,0,0,0,0|0,0,0]=2 12980 B11R0.3 COCCCCOCCNC=O bc101c70bfc7b7649a6ce28c8329799a [0,2,0,0,0,0|1,0,1]=4 12981 B11R0.3 COCCCCOCCOC=O ab44b21e06104dbec403038daf7d9785 [0,2,0,0,0,0|1,0,1]=4 12982 B11R0.3 COCCCNCCCCC#N d31415791777c32d93aa7d885e0165c0 [0,2,0,0,0,0|1,0,1]=4 12983 B11R0.3 COCCCNCCCCC=O 81cf7ebb0e52a45398aa8f5f9d073f71 [0,2,0,0,0,0|1,0,1]=4 12984 B11R0.3 COCCCNCCCCCCl 2d2dd06dee1747745261a094617b7cfd [0,2,0,0,0,0|1,0,0]=3 12985 B11R0.3 COCCCNCCCCCF bd1c8c13d33e0b4965aeb9246b90d3c1 [0,2,0,0,0,0|1,0,0]=3 12986 B11R0.3 COCCCNCCCCCO c903e9482376dcb34b33b629df4bc140 [0,2,0,0,0,0|1,0,0]=3 12987 B11R0.3 COCCCNCCCCON 8d99d825d8bdfa0eb7bec3f58c31182e [0,2,0,0,0,0|2,0,0]=4 12988 B11R0.3 COCCCNCCCCSC e6d7a01efae43bee2f37f47bdad11a44 [0,2,0,0,0,0|1,0,0]=3 12989 B11R0.3 COCCCNCCOCCO a5c00f271146bed3cc2171d2535699dc [0,2,0,0,0,0|2,0,0]=4 12990 B11R0.3 COCCCNCCOCCS 2c80d04799f4b02a3f8f596bacd8c674 [0,2,0,0,0,0|2,0,0]=4 12991 B11R0.3 COCCCNCCOCOC 64a06255b737c41f649f0af3172872c9 [0,2,0,0,0,0|2,0,0]=4 12992 B11R0.3 COCCCNCCSCCO b173e28afb6b56188f37cfc0cc631ef5 [0,2,0,0,0,0|2,0,0]=4 12993 B11R0.3 COCCCNCOCCOC b62c0219a0ec052dc7b8b0d8426adbe8 [0,2,0,0,0,0|1,0,0]=3 12994 B11R0.3 COCCCOCCCCC#N e5fb15c088ad72feca1d8a3a48923770 [0,2,0,0,0,0|0,0,1]=3 12995 B11R0.3 COCCCOCCCCC=O 5baf2feaf7c5139b7ea421124506a9ad [0,2,0,0,0,0|0,0,1]=3 12996 B11R0.3 COCCCOCCCCCF d70a2032399079e91d919f3b89c2db2d [0,2,0,0,0,0|0,0,0]=2 12997 B11R0.3 COCCCOCCCCSC 5740e23f74c6e43e7b7338c8c0638c77 [0,2,0,0,0,0|0,0,0]=2 12998 B11R0.3 COCCCOCCCOCF b3a6a25334966e830f88ea6482538449 [0,2,0,0,0,0|1,0,0]=3 12999 B11R0.3 COCCCOCCOCC#N 30f9f52898886933b2a37aca7ce3cfe6 [0,2,0,0,0,0|1,0,1]=4 13000 B11R0.3 COCCCOCCOCC=O f8ea685be7b2cdead4a6bcfa9ece16a2 [0,2,0,0,0,0|1,0,1]=4 13001 B11R0.3 COCCCOCCOCCF 168103e8ad27b9d4a7791feba88074c5 [0,2,0,0,0,0|1,0,0]=3 13002 B11R0.3 COCCCOCCOCCS 1c3380c6a4373d9e2e98ac030f3fd705 [0,2,0,0,0,0|1,0,0]=3 13003 B11R0.3 COCCCOCCOCOC a238e3bafa21599b718c5eb689e19869 [0,2,0,0,0,0|1,0,0]=3 13004 B11R0.3 COCCCOCOCCOC c2fcfce9da719485c7b24f9565eb91f4 [0,2,0,0,0,0|1,0,0]=3 13005 B11R0.3 COCCNCCCCCC#N 45ca360c42622ed3db07830a13139bc1 [0,2,0,0,0,0|2,0,0]=4 13006 B11R0.3 COCCNCCCCCC=O 4718591fcf4c8cd8ba40c217df9d2b78 [0,2,0,0,0,0|2,0,0]=4 13007 B11R0.3 COCCNCCCCCCCl ded7dcceec5f6a776846b9057e8258a6 [0,2,0,0,0,0|2,0,0]=4 13008 B11R0.3 COCCNCCCCCCF 7122ce4819c706fc94c246c08664df2c [0,2,0,0,0,0|2,0,0]=4 13009 B11R0.3 COCCNCCCCCCO 67b29718a05c587fececfbf75e6878e5 [0,2,0,0,0,0|2,0,0]=4 13010 B11R0.3 COCCNCCCOCCO da83a4169b265cf05b4075f3eb38a991 [0,2,0,0,0,0|2,0,0]=4 13011 B11R0.3 COCCNCCOCCCO fd75372f4b16e1343333a5b08ac7ed8b [0,2,0,0,0,0|1,0,0]=3 13012 B11R0.3 COCCNCCOCCOC 6558b4191b2c04b62f0007732c7b3707 [0,2,0,0,0,0|1,0,0]=3 13013 B11R0.3 COCCNCCOCCON 04c314d1aad1f21bf1f31d2e2154c4d9 [0,2,0,0,0,0|2,0,0]=4 13014 B11R0.3 COCCOCCCCCC#N d819f6f8d88f58efe27a550e8e5e2df3 [0,2,0,0,0,0|1,0,0]=3 13015 B11R0.3 COCCOCCCCCC=O 4bf690e24050b203739dd4162a417caf [0,2,0,0,0,0|1,0,0]=3 13016 B11R0.3 COCCOCCCCCCF 2335b1c819b29028000587f8a469db87 [0,2,0,0,0,0|1,0,0]=3 13017 B11R0.3 COCCOCCCCCCS 7096f857c8a8b57294e2d1eaf01a80c7 [0,2,0,0,0,0|1,0,0]=3 13018 B11R0.3 COCCOCCCCNC=O 9c41eb6437f5f0c0b1269cd047d4592c [0,2,0,0,0,0|1,0,1]=4 13019 B11R0.3 COCCOCCCCNCF bff48820f5d469249dfae2726b3782a6 [0,2,0,0,0,0|1,0,0]=3 13020 B11R0.3 COCCOCCCCNCO b886c367e13390dc3a51b360c62b0154 [0,2,0,0,0,0|1,0,0]=3 13021 B11R0.3 COCCOCCCNCC#N 8f28033aaaadb5e5d5d819deaec9abbb [0,2,0,0,0,0|1,0,1]=4 13022 B11R0.3 COCCOCCCNCC=O cabf05de87f939983cb6c180b9617574 [0,2,0,0,0,0|1,0,1]=4 13023 B11R0.3 COCCOCCCNCCBr 038f7f78190c59df369db957b5d0fb41 [0,2,0,0,0,0|1,0,0]=3 13024 B11R0.3 COCCOCCCNCCF ceb0f44a8b8aca86b1802aa164835878 [0,2,0,0,0,0|1,0,0]=3 13025 B11R0.3 COCCOCCCNCCI ceba22eb371ce215d6b0e1ba0a13fd71 [0,2,0,0,0,0|1,0,0]=3 13026 B11R0.3 COCCOCCCNCCO ca3b6902a11e1dd8292896309d8871b8 [0,2,0,0,0,0|1,0,0]=3 13027 B11R0.3 COCCOCCCNCCS 6e6408b7ecd9fb650295a2aa1775b01d [0,2,0,0,0,0|1,0,0]=3 13028 B11R0.3 COCCOCCCNCOC e8f7a7fdac271e74defa6a093263a4b2 [0,2,0,0,0,0|1,0,0]=3 13029 B11R0.3 COCCOCCCNCSC f6053291c2e31d1496babed3dd38a853 [0,2,0,0,0,0|1,0,0]=3 13030 B11R0.3 COCCOCCCOCC#N 1e24675ff2c311916cad3ea621f23fe3 [0,2,0,0,0,0|1,0,1]=4 13031 B11R0.3 COCCOCCCOCC=O 7c63d64cc2adda636f8cfbef59d36797 [0,2,0,0,0,0|1,0,1]=4 13032 B11R0.3 COCCOCCCOCCF b2a9e4c82329ba13fde5b52fbada6d7b [0,2,0,0,0,0|1,0,0]=3 13033 B11R0.3 COCCOCCCOCCS ee34ea72c0be70cb1d1fb690aae7abde [0,2,0,0,0,0|1,0,0]=3 13034 B11R0.3 COCCOCCCOCOC 9f902bdf1131adb61a95be4b16b28495 [0,2,0,0,0,0|1,0,0]=3 13035 B11R0.3 COCCOCCCOCSC 56ad1fa6a194194377bf350eb61aeb78 [0,2,0,0,0,0|1,0,0]=3 13036 B11R0.3 COCCOCCNCCC#N 1cb18d8c84e6447f3d96404c605859d5 [0,2,0,0,0,0|1,0,1]=4 13037 B11R0.3 COCCOCCNCCC=O c22bae296a6404d845f8b4d60bceacbe [0,2,0,0,0,0|1,0,1]=4 13038 B11R0.3 COCCOCCNCCCCl 23be815f23100ecdaee8c0182244be7d [0,2,0,0,0,0|1,0,0]=3 13039 B11R0.3 COCCOCCNCCCF c80f783a21a4d9236b63efec516b80b3 [0,2,0,0,0,0|1,0,0]=3 13040 B11R0.3 COCCOCCNCCCO 3c268b6e47d4b619ad86b2227d6a8d99 [0,2,0,0,0,0|1,0,0]=3 13041 B11R0.3 COCCOCCNCCCS 4fa27d3b572c4b8f3bba9865112aa24c [0,2,0,0,0,0|1,0,0]=3 13042 B11R0.3 COCCOCCNCCON a9609be3911309ac43addaafadb9bc7b [0,2,0,0,0,0|2,0,0]=4 13043 B11R0.3 COCCOCCNCCSC 849e114ad1aa96729f01fb7aec07a8e8 [0,2,0,0,0,0|1,0,0]=3 13044 B11R0.3 COCCOCCOCCC#N 3546823fafb74c37814cd01165a2d1df [0,2,0,0,0,0|1,0,1]=4 13045 B11R0.3 COCCOCCOCCC=O b6d8f21a469d746b5ae031e233dc96d0 [0,2,0,0,0,0|1,0,1]=4 13046 B11R0.3 COCCOCCOCCCF 4976a48503a99b8df299dcfe7723e2cd [0,2,0,0,0,0|1,0,0]=3 13047 B11R0.3 COCCOCCOCCCS 3941761b3111e7af580460167cb0d2b2 [0,2,0,0,0,0|1,0,0]=3 13048 B11R0.3 COCCOCCOCCOC 55d80d8b64797c32a74cd8a2d7ef8502 [0,2,0,0,0,0|1,0,0]=3 13049 B11R0.3 COCCOCCOCCSC 166b8618276e06f42ba29d812a97683c [0,2,0,0,0,0|1,0,0]=3 13050 B11R0.3 COCCOCNCCCC#N f517d1b39daed4640e1854de44d3b22b [0,2,0,0,0,0|1,0,1]=4 13051 B11R0.3 COCCOCNCCCCCl e80e2dd3878187114c256644506b2679 [0,2,0,0,0,0|1,0,0]=3 13052 B11R0.3 COCCOCNCCCCO 41a7c3429d22cab1838f670e0fab89f5 [0,2,0,0,0,0|1,0,0]=3 13053 B11R0.3 COCCOCNCCCCS e5913918f9dbf1c2810417642580f7ea [0,2,0,0,0,0|1,0,0]=3 13054 B11R0.3 COCCOCNCCCSC 0605ba520217718c3a0dc497c01dafcf [0,2,0,0,0,0|1,0,0]=3 13055 B11R0.3 COCCOCOCCCC#N 704b50672819ca71aa664c28d6143d8f [0,2,0,0,0,0|1,0,1]=4 13056 B11R0.3 COCCOCOCCCC=O ff0d5671f120616e99bcfdbc744678f8 [0,2,0,0,0,0|1,0,1]=4 13057 B11R0.3 COCCOCOCCCCF 83ec3764023f95c08bc7a296e5bc7ff5 [0,2,0,0,0,0|1,0,0]=3 13058 B11R0.3 COCCOCOCCCCS 08983379c7a20faba9f25657f828f341 [0,2,0,0,0,0|1,0,0]=3 13059 B11R0.3 COCCOCOCCCSC 21b5a6f43cd4d0b0e1a39a2916f2ca6d [0,2,0,0,0,0|1,0,0]=3 13060 B11R0.3 COCNCCCCCCCO e800d535ea51f07a03291d8a1e306e8b [0,2,0,0,0,0|2,0,0]=4 13061 B11R0.3 COCNCCCOCCCO e7a4c6441d16aa633b707ddf7b5bace3 [0,2,0,0,0,0|1,0,0]=3 13062 B11R0.3 COCNCCCOCCSC 5a68296b78fc6d4d9429cce23caa5562 [0,2,0,0,0,0|1,0,0]=3 13063 B11R0.3 COCOCCCOCCC#N ea5fc43211a18b23871ccadf629175c5 [0,2,0,0,0,0|1,0,1]=4 13064 B11R0.3 COCOCCNCCCCCl 4fbebdbcc04b12530de025ae3e0facb0 [0,2,0,0,0,0|2,0,0]=4 13065 B11R0.3 COCOCCNCCCCO 8a7c46074ca9d7822065b29ee095ef91 [0,2,0,0,0,0|2,0,0]=4 13066 B11R0.3 COCOCCNCCCCS e74270bf57e96d6ae3c921ff162d7bba [0,2,0,0,0,0|2,0,0]=4 13067 B11R0.3 COCOCCNCCCSC d723f5839289fe923cab33618ae1c799 [0,2,0,0,0,0|2,0,0]=4 13068 B11R0.3 COCOCCOCCCC#N 34a50d66b0c78b7e27c38bf02d32e72d [0,2,0,0,0,0|1,0,1]=4 13069 B11R0.3 COCOCCOCCCC=O 1a9f2a220fd536b8f2dc73df21691b39 [0,2,0,0,0,0|1,0,1]=4 13070 B11R0.3 COCOCCOCCCCF e707e340e92b3afc057d1d2d6ee54665 [0,2,0,0,0,0|1,0,0]=3 13071 B11R0.3 COCOCCOCCCCS 0aaab4615e8c5d0a00c41d35b0b958d2 [0,2,0,0,0,0|1,0,0]=3 13072 B11R0.3 COCOCCOCCCSC a9d397650c14f28ef1cd0a4adbcf6104 [0,2,0,0,0,0|1,0,0]=3 13073 B11R0.3 CSCCCCNCCCC#N d9733b707fa288d6b03592acd1d04a7d [0,2,0,0,0,0|1,0,1]=4 13074 B11R0.3 CSCCCCNCCCC=O 5666e8b7c1cbb2d1400d9d1c2ee654b7 [0,2,0,0,0,0|1,0,1]=4 13075 B11R0.3 CSCCCCNCCCCF 186208e94dc7385d1285b75975fff09a [0,2,0,0,0,0|1,0,0]=3 13076 B11R0.3 CSCCCCNCCCCO 7d5faf407297d4593213b3157ce5c772 [0,2,0,0,0,0|1,0,0]=3 13077 B11R0.3 CSCCCCNCCCSC 61a2176130c54446b5ea7bc6f7daa585 [0,2,0,0,0,0|1,0,0]=3 13078 B11R0.3 CSCCCCOCCCC#N f73e7ee6ee8e2c5129df81c4273ce1e8 [0,2,0,0,0,0|0,0,1]=3 13079 B11R0.3 CSCCCCOCCCC=O 77199afd75665a4901237ae51325b33a [0,2,0,0,0,0|0,0,1]=3 13080 B11R0.3 CSCCCCOCCCCF 17f802799f9b09ef8e200f69853ecf5d [0,2,0,0,0,0|0,0,0]=2 13081 B11R0.3 CSCCCCOCCCSC 679bb20bfa56a89ca119039dd4ebb941 [0,2,0,0,0,0|0,0,0]=2 13082 B11R0.3 CSCCCNCCCCC#N 639b61dccacf5fc71bb6847888a92b15 [0,2,0,0,0,0|1,0,1]=4 13083 B11R0.3 CSCCCNCCCCC=O e8e5757c4d12c9770d382320b10a17e8 [0,2,0,0,0,0|1,0,1]=4 13084 B11R0.3 CSCCCNCCCCCCl 59458e7c12e9357e6c0fa1b39622818f [0,2,0,0,0,0|1,0,0]=3 13085 B11R0.3 CSCCCNCCCCCF 4921a4e5ba231828ef012d6a154bce21 [0,2,0,0,0,0|1,0,0]=3 13086 B11R0.3 CSCCCNCCCCCO 8058bc5d242d8649b080d2dc4ab6b9c0 [0,2,0,0,0,0|1,0,0]=3 13087 B11R0.3 CSCCCNCCCCON e2da17a5cdde256d1d7e82d802044286 [0,2,0,0,0,0|2,0,0]=4 13088 B11R0.3 CSCCCNCCOCCO 04f30fd2b64b5fccace945abc634d38e [0,2,0,0,0,0|2,0,0]=4 13089 B11R0.3 CSCCCNCCOCCS e5fc5523cc19e36e9cc813a72a252dd3 [0,2,0,0,0,0|2,0,0]=4 13090 B11R0.3 CSCCCNCCSCCO 2e243ea1949cc389138db12bbe857fd7 [0,2,0,0,0,0|2,0,0]=4 13091 B11R0.3 CSCCCOCCCCC#N 5c3e87302a3dc208a35476d5e6b3f741 [0,2,0,0,0,0|0,0,1]=3 13092 B11R0.3 CSCCCOCCCCC=O ee77859902189d8481479d30cef355e3 [0,2,0,0,0,0|0,0,1]=3 13093 B11R0.3 CSCCCOCCCCCF 24979f7f2d4a94b05056c86f88a2ed92 [0,2,0,0,0,0|0,0,0]=2 13094 B11R0.3 CSCCCOCCOCC#N a379b48efa15ef28e5caf9d2b2af42ad [0,2,0,0,0,0|1,0,1]=4 13095 B11R0.3 CSCCCOCCOCC=O bec553db017d0edcab6e75d79298fb68 [0,2,0,0,0,0|1,0,1]=4 13096 B11R0.3 CSCCCOCCOCCF f63bdf390270c619a541faddb3286299 [0,2,0,0,0,0|1,0,0]=3 13097 B11R0.3 CSCCCOCCOCCS 7cf3fa83c1c84b43e1f5f962469d1c1d [0,2,0,0,0,0|1,0,0]=3 13098 B11R0.3 CSCCNCCCCCC#N 0f5bf9a67884e3be7515af209b7f48ec [0,2,0,0,0,0|2,0,0]=4 13099 B11R0.3 CSCCNCCCCCC=O b0f190127f090cf2798133da24b2523a [0,2,0,0,0,0|2,0,0]=4 13100 B11R0.3 CSCCNCCCCCCCl 882f63cd187a02f55a7b9efe953a8526 [0,2,0,0,0,0|2,0,0]=4 13101 B11R0.3 CSCCNCCCCCCF 5c0300e43b0e01cabad78968401e6a03 [0,2,0,0,0,0|2,0,0]=4 13102 B11R0.3 CSCCNCCCCCCO 95f4b666b2e83bf0f2463dd55512f7de [0,2,0,0,0,0|2,0,0]=4 13103 B11R0.3 CSCCNCCCOCCO b3ddee309c5d1ad4f063e7404a8f1ab8 [0,2,0,0,0,0|2,0,0]=4 13104 B11R0.3 CSCCNCCOCCCO b3abaf74c1a448762f724a92daf273dc [0,2,0,0,0,0|1,0,0]=3 13105 B11R0.3 CSCCNCCOCCON fae401aa41a9c9b70fd05788a2da0795 [0,2,0,0,0,0|2,0,0]=4 13106 B11R0.3 CSCCOCCCCCC#N aab0788056f03255268679637b3e1e29 [0,2,0,0,0,0|1,0,0]=3 13107 B11R0.3 CSCCOCCCCCC=O f741ac44c314c228d430b7bd26f41fb4 [0,2,0,0,0,0|1,0,0]=3 13108 B11R0.3 CSCCOCCCCCCF 9fc846c15af2505341f2c7ba105e10b1 [0,2,0,0,0,0|1,0,0]=3 13109 B11R0.3 CSCCOCCCCCCS 137dc4fd1b3017ebfa61f46b29486a24 [0,2,0,0,0,0|1,0,0]=3 13110 B11R0.3 CSCCOCCCNCC#N 073ebedf26821c589f93bb36f9b70f14 [0,2,0,0,0,0|1,0,1]=4 13111 B11R0.3 CSCCOCCCNCC=O d3458b63f629862be145dd912a91384d [0,2,0,0,0,0|1,0,1]=4 13112 B11R0.3 CSCCOCCCNCCF dc742a7afeac5a7e76ec4410439a7bca [0,2,0,0,0,0|1,0,0]=3 13113 B11R0.3 CSCCOCCCNCCO 8093ccde24df191eb9310bf31204ae4a [0,2,0,0,0,0|1,0,0]=3 13114 B11R0.3 CSCCOCCCNCCS 1565504508a13862a5b92330c9a5dcdc [0,2,0,0,0,0|1,0,0]=3 13115 B11R0.3 CSCCOCCCNCSC 69bf4ba3e3ff2481ebe16476ffd4a105 [0,2,0,0,0,0|1,0,0]=3 13116 B11R0.3 CSCCOCCCOCC#N 94dc5b9969292bcef45aafffdafadefd [0,2,0,0,0,0|1,0,1]=4 13117 B11R0.3 CSCCOCCOCCC#N 684298783403f7223cdd7a5593053a5e [0,2,0,0,0,0|1,0,1]=4 13118 B11R0.3 CSCNCCCCCCCO 89cf90ea90f8f14f163e4e4086945c39 [0,2,0,0,0,0|2,0,0]=4 13119 B11R0.3 CSCNCCCOCCCO 5be496d637e8aa78b3d7309ee25778b3 [0,2,0,0,0,0|1,0,0]=3 13120 B11R0.3 CSCOCCCOCCC#N d743c3dc25fb75a89dc2286bf616f7bc [0,2,0,0,0,0|1,0,1]=4 13121 B11R0.3 FCCCCCCNCCCCl 5d27590680706d0a19a6bbe6e8572803 [0,2,0,0,0,0|2,0,0]=4 13122 B11R0.3 FCCCCCCOCCCF c703367db84392421c3718576f202890 [0,2,0,0,0,0|1,0,0]=3 13123 B11R0.3 FCCCCCCOCCCS 87488260d56782ca393e3a9d0fba9192 [0,2,0,0,0,0|1,0,0]=3 13124 B11R0.3 FCCCCCNCCCCCl 79595c37404256a436570c913ae5c72e [0,2,0,0,0,0|1,0,0]=3 13125 B11R0.3 FCCCCCNCCCCS cc603041419ad7257c4f98c3ab983b19 [0,2,0,0,0,0|1,0,0]=3 13126 B11R0.3 FCCCCCOCCCCF 64402fa647737470d07cdeef07303978 [0,2,0,0,0,0|0,0,0]=2 13127 B11R0.3 FCCCCCOCCCCS 3d1c6d8abc4b2d50396deb16ee6eb45b [0,2,0,0,0,0|0,0,0]=2 13128 B11R0.3 FCCCCNCCCCCCl 0501ba90f804b0c4c41424d92177b799 [0,2,0,0,0,0|1,0,0]=3 13129 B11R0.3 FCCCCNCCOCCS 250a77f3c1d2305e2464c2b1860f7bb7 [0,2,0,0,0,0|2,0,0]=4 13130 B11R0.3 FCCCCOCCOCCF 663c20c166d043694e9fc560d0472d33 [0,2,0,0,0,0|1,0,0]=3 13131 B11R0.3 FCCCCOCCOCCS 8bd3da544b06d4d78b58d6059ee6c4bc [0,2,0,0,0,0|1,0,0]=3 13132 B11R0.3 FCCCNCCCCCCCl 6143d97b44b04968f0c89d76187840ae [0,2,0,0,0,0|2,0,0]=4 13133 B11R0.3 FCCCOCCCCCCS d804242ab0187adf2d24276c9e542c95 [0,2,0,0,0,0|1,0,0]=3 13134 B11R0.3 FCCOCCOCCNCF 1396d41d0888e60d59c0bd68c568ce19 [0,2,0,0,0,0|2,0,0]=4 13135 B11R0.3 FCCOCCOCCOCF 3c2c8ec6bc550c02f7c642c4a7a1a9ad [0,2,0,0,0,0|2,0,0]=4 13136 B11R0.3 FCOCCOCCOCCS 6032d4e19b798a235f5412604074e105 [0,2,0,0,0,0|2,0,0]=4 13137 B11R0.3 N#CCCCCCNCCCCl 3105381259f84978fe6b8f449795d9a6 [0,2,0,0,0,0|2,0,0]=4 13138 B11R0.3 N#CCCCCCNCCCF 8176052d7a89a6e0afb4f064fc8ed934 [0,2,0,0,0,0|2,0,0]=4 13139 B11R0.3 N#CCCCCCNCCCO 4413e7f43900c28342374df8282bc3de [0,2,0,0,0,0|2,0,0]=4 13140 B11R0.3 N#CCCCCCNCCCS f3cbb960ecb839abb58773e5bdab3cc5 [0,2,0,0,0,0|2,0,0]=4 13141 B11R0.3 N#CCCCCCOCCC#N 7d1683e633d2c42b9fb1fe05cb49f667 [0,2,0,0,0,0|1,0,1]=4 13142 B11R0.3 N#CCCCCCOCCC=O ef2a0b336dc9be22063bcc4ea9084078 [0,2,0,0,0,0|1,0,1]=4 13143 B11R0.3 N#CCCCCCOCCCF 7195b29c2664461520349b37ab266c0b [0,2,0,0,0,0|1,0,0]=3 13144 B11R0.3 N#CCCCCCOCCCS c257f23cb2afa07ca88f02ceac9b1359 [0,2,0,0,0,0|1,0,0]=3 13145 B11R0.3 N#CCCCCNCCCCCl 5f0a556b680f78a415354b98b4a3725b [0,2,0,0,0,0|1,0,1]=4 13146 B11R0.3 N#CCCCCNCCCCF c6a26729e346d7210d2869162f10bc88 [0,2,0,0,0,0|1,0,1]=4 13147 B11R0.3 N#CCCCCNCCCCO 4ae134edd83bb24c104cbb77adf9ddc7 [0,2,0,0,0,0|1,0,1]=4 13148 B11R0.3 N#CCCCCNCCCCS 302308680d9e812dc77ad257b666a80f [0,2,0,0,0,0|1,0,1]=4 13149 B11R0.3 N#CCCCCOCCCC#N f82748d390e06fd7ddeb82b41ad74e90 [0,2,0,0,0,0|0,0,2]=4 13150 B11R0.3 N#CCCCCOCCCC=O d4f73cc2dbb6afd269cea0a934178480 [0,2,0,0,0,0|0,0,2]=4 13151 B11R0.3 N#CCCCCOCCCCF 78b7f17b42a97b6fdbab9804d02b501f [0,2,0,0,0,0|0,0,1]=3 13152 B11R0.3 N#CCCCCOCCCCS 5b6b74ff84b5c73d63c9e3ab311b2a0d [0,2,0,0,0,0|0,0,1]=3 13153 B11R0.3 N#CCCCNCCCCCCl 755ff1d1a2543177b010eb5f2a9c8282 [0,2,0,0,0,0|1,0,1]=4 13154 B11R0.3 N#CCCCNCCCCCF eec2d54af0021163a64e72dd97c1180d [0,2,0,0,0,0|1,0,1]=4 13155 B11R0.3 N#CCCCNCCCCCO f728f94bf17b68b4e859ff3a47d25560 [0,2,0,0,0,0|1,0,1]=4 13156 B11R0.3 N#CCCCOCCCCC=O 9d3c16560011f992b81471ccb5620e49 [0,2,0,0,0,0|0,0,2]=4 13157 B11R0.3 N#CCCCOCCCCCF ffae2775ad6ec8449c91a61962391726 [0,2,0,0,0,0|0,0,1]=3 13158 B11R0.3 N#CCCCOCCOCCF cbc4e69e0ae370e9aaba965f54c97392 [0,2,0,0,0,0|1,0,1]=4 13159 B11R0.3 N#CCCCOCCOCCS 7bcbdab2f336627a462653cb84f047fb [0,2,0,0,0,0|1,0,1]=4 13160 B11R0.3 N#CCCNCCOCCCO e9a4fae9e10950463c7bc0e815b21eb5 [0,2,0,0,0,0|1,0,1]=4 13161 B11R0.3 N#CCCOCCCCCC=O 4993dc2c69fc797a214a96dc1fc0cdad [0,2,0,0,0,0|1,0,1]=4 13162 B11R0.3 N#CCCOCCCCCCF 6da8e63c0b8cd911073403fba50ec138 [0,2,0,0,0,0|1,0,1]=4 13163 B11R0.3 N#CCCOCCCCCCS f07fbf824b85fbdf3bb6250f514153cd [0,2,0,0,0,0|1,0,1]=4 13164 B11R0.3 N#CCCOCCCOCCF f975a993e43ae14182f8c5d01c9a4ede [0,2,0,0,0,0|1,0,1]=4 13165 B11R0.3 N#CCCOCCCOCCS fb0d6b4d3b9a88c166d238e9e4fae103 [0,2,0,0,0,0|1,0,1]=4 13166 B11R0.3 N#CCCOCCOCCCF 93079321b62a6ed85733d28693065dd1 [0,2,0,0,0,0|1,0,1]=4 13167 B11R0.3 N#CCCOCCOCCCS 845bae374ea4eeb2da6f4433fdce8d19 [0,2,0,0,0,0|1,0,1]=4 13168 B11R0.3 N#CCNCCCOCCCO 2460739db9805b88e9434bc7672becd3 [0,2,0,0,0,0|1,0,1]=4 13169 B11R0.3 N#CCOCCCOCCCF c08a351ee8fe3e998409e07b26798ada [0,2,0,0,0,0|1,0,1]=4 13170 B11R0.3 N#CCOCCCOCCCS 73aca74cdfe98a412e768343d26bf9cc [0,2,0,0,0,0|1,0,1]=4 13171 B11R0.3 N#CCOCCOCCCCF 2dfd702d847c1a49881253447bedc018 [0,2,0,0,0,0|1,0,1]=4 13172 B11R0.3 N#CCOCCOCCCCS f4d7e64f2680cdd6842370c1ba93b2bb [0,2,0,0,0,0|1,0,1]=4 13173 B11R0.3 NOCCCCNCCCCCl 5d1992a1296b9c037442c6474846125b [0,2,0,0,0,0|2,0,0]=4 13174 B11R0.3 NOCCCCNCCCCO 02431fe0e09e4f4d292a22a990e05ba8 [0,2,0,0,0,0|2,0,0]=4 13175 B11R0.3 NOCCCCNCCCCS 499411f19da8434db2b4da67be534943 [0,2,0,0,0,0|2,0,0]=4 13176 B11R0.3 NOCCOCCNCCCF bbf16ae81fa5d04761dbce5175eef44b [0,2,0,0,0,0|2,0,0]=4 13177 B11R0.3 NOCCOCCNCCCO 70e98838508eff457b963f4960c72729 [0,2,0,0,0,0|2,0,0]=4 13178 B11R0.3 NOCCOCCNCCCS 5b21288b6da6c95608071e3deab1bbc0 [0,2,0,0,0,0|2,0,0]=4 13179 B11R0.3 O=CCCCCCNCCCCl fd71525cd608d0265dba4f5d691165ab [0,2,0,0,0,0|2,0,0]=4 13180 B11R0.3 O=CCCCCCNCCCO e8f48db490ac35989365ee24a0ce8127 [0,2,0,0,0,0|2,0,0]=4 13181 B11R0.3 O=CCCCCCOCCC=O 841355cf505d11860e808a628e661a33 [0,2,0,0,0,0|1,0,1]=4 13182 B11R0.3 O=CCCCCCOCCCF 8aee16e47cf50fb440fa950b21ce39df [0,2,0,0,0,0|1,0,0]=3 13183 B11R0.3 O=CCCCCCOCCCS 8275620ce624adb0eead055700dcd6ac [0,2,0,0,0,0|1,0,0]=3 13184 B11R0.3 O=CCCCCNCCCCCl dcc4fe22f95b5e37f1f189301e54c790 [0,2,0,0,0,0|1,0,1]=4 13185 B11R0.3 O=CCCCCNCCCCO d03a813a710533d213d33230de522737 [0,2,0,0,0,0|1,0,1]=4 13186 B11R0.3 O=CCCCCNCCCCS 9ff220cd913c7d37aca52c99cfd1f14e [0,2,0,0,0,0|1,0,1]=4 13187 B11R0.3 O=CCCCCOCCCC=O 0f4ede3200b05f9a0b13b774542c443a [0,2,0,0,0,0|0,0,2]=4 13188 B11R0.3 O=CCCCCOCCCCF a40404b0829e05e1cad9f123f1d50528 [0,2,0,0,0,0|0,0,1]=3 13189 B11R0.3 O=CCCCCOCCCCS cb6b0058832acd9dd4546438e09c6cfc [0,2,0,0,0,0|0,0,1]=3 13190 B11R0.3 O=CCCCNCCCCCCl 86565134165a65c6f6f37a9962245a94 [0,2,0,0,0,0|1,0,1]=4 13191 B11R0.3 O=CCCCNCCCCCO 0241d2422a23be3107c4c8915a44c5bf [0,2,0,0,0,0|1,0,1]=4 13192 B11R0.3 O=CCCCOCCCCCF 312e14ae215ba24184b9e1cfac4bdf49 [0,2,0,0,0,0|0,0,1]=3 13193 B11R0.3 O=CCCCOCCOCCF 3b353dcd7f132b9a66d5dfc080ad1f1a [0,2,0,0,0,0|1,0,1]=4 13194 B11R0.3 O=CCCCOCCOCCS 9cabd1b80df580ec90cdee625da748a0 [0,2,0,0,0,0|1,0,1]=4 13195 B11R0.3 O=CCCNCCOCCCO 339d4e42a8e73a0d1be599ce15eb54d0 [0,2,0,0,0,0|1,0,1]=4 13196 B11R0.3 O=CCCOCCCCCCF 12608a84ec7419baec96fc9b9fe54aba [0,2,0,0,0,0|1,0,1]=4 13197 B11R0.3 O=CCCOCCCCCCS 65bf01bd887cf10c15d3e74f1e91b329 [0,2,0,0,0,0|1,0,1]=4 13198 B11R0.3 O=CCNCCCOCCCO 0c2c684a66e7c199def3d25947f15838 [0,2,0,0,0,0|1,0,1]=4 13199 B11R0.3 O=CCOCCOCCCCF 5c477a47ebf5e2bb112d8b2c3072995e [0,2,0,0,0,0|1,0,1]=4 13200 B11R0.3 O=CCOCCOCCCCS 6d01099fd9751ddb8180f01d167d3f69 [0,2,0,0,0,0|1,0,1]=4 13201 B11R0.3 O=CNCCOCCCCCF db52a5c7d8b97880b7b2517ac78d94c1 [0,2,0,0,0,0|1,0,1]=4 13202 B11R0.3 O=COCCOCCCCCF ad1b3348541b9a607fd511965e9183dd [0,2,0,0,0,0|1,0,1]=4 13203 B11R0.3 OCCCCCCCCNCF 0d872b98b2a95c92875278182a108b5b [0,2,0,0,0,0|2,0,0]=4 13204 B11R0.3 OCCCCCCCCNCO 06ea9db5cc8e1a7686a5ffeb8c34217c [0,2,0,0,0,0|2,0,0]=4 13205 B11R0.3 OCCCCCCCNCCBr 5611383d2817db033c2a42ecf3109ca3 [0,2,0,0,0,0|2,0,0]=4 13206 B11R0.3 OCCCCCCCNCCF 588f628bb4b6ff12f54feab307c9e507 [0,2,0,0,0,0|2,0,0]=4 13207 B11R0.3 OCCCCCCCNCCI 93735c976611dbc665ceec62cf2a2558 [0,2,0,0,0,0|2,0,0]=4 13208 B11R0.3 OCCCCCCCNCCO 302bd45cae4e6eb65d2fde13385cf644 [0,2,0,0,0,0|2,0,0]=4 13209 B11R0.3 OCCCCCCCNCCS e8c395c63130862d2a8b782bb312c8a7 [0,2,0,0,0,0|2,0,0]=4 13210 B11R0.3 OCCCCCCNCCCCl 23d295f39ea25d0bdc260c4e1006bd41 [0,2,0,0,0,0|2,0,0]=4 13211 B11R0.3 OCCCCCCNCCCF da44f47d03b2652ab4412e2f352645ad [0,2,0,0,0,0|2,0,0]=4 13212 B11R0.3 OCCCCCCNCCCO e12ee56ee8434bc57b960b5baf0d446a [0,2,0,0,0,0|2,0,0]=4 13213 B11R0.3 OCCCCCCNCCCS 4bf30050fb3735094c8d990b216227bd [0,2,0,0,0,0|2,0,0]=4 13214 B11R0.3 OCCCCCNCCCCCl 8127214bbb3398b72b02fc719e3caff7 [0,2,0,0,0,0|1,0,0]=3 13215 B11R0.3 OCCCCCNCCCCF 5b53447ba67bb20b7fe6faa9cbcbc1b3 [0,2,0,0,0,0|1,0,0]=3 13216 B11R0.3 OCCCCCNCCCCO 2cec7b546a19f647fa8f919c7f56a16f [0,2,0,0,0,0|1,0,0]=3 13217 B11R0.3 OCCCCCNCCCCS 2131849f28716e0ebdf5c0664c87c6d4 [0,2,0,0,0,0|1,0,0]=3 13218 B11R0.3 OCCCCNCCCCCCl 0f0f19f6f26da1ba278dd2a9e2523412 [0,2,0,0,0,0|1,0,0]=3 13219 B11R0.3 OCCCCNCCCCCF 34c6a656754cccefee3315dd9f216833 [0,2,0,0,0,0|1,0,0]=3 13220 B11R0.3 OCCCCNCCOCCO f24a21ab6aae71b9a259b45a29057e85 [0,2,0,0,0,0|2,0,0]=4 13221 B11R0.3 OCCCCNCCOCCS 8f886f79161c248f597fc25e9577397e [0,2,0,0,0,0|2,0,0]=4 13222 B11R0.3 OCCCCNCCSCCO d354afd97ed9a277e579f0e522f68500 [0,2,0,0,0,0|2,0,0]=4 13223 B11R0.3 OCCCNCCCCCCCl 9a9e2739daba9096f745b79fbe0e7ffc [0,2,0,0,0,0|2,0,0]=4 13224 B11R0.3 OCCCNCCCCCCF 7a0ff36abe9facd5d6f6591b47f70472 [0,2,0,0,0,0|2,0,0]=4 13225 B11R0.3 OCCCNCCCOCCO dc9b9099ef237801105438bc55533422 [0,2,0,0,0,0|2,0,0]=4 13226 B11R0.3 OCCCNCCOCCCO 84c7efdef98fc9cbe4d33a81d95ec947 [0,2,0,0,0,0|1,0,0]=3 13227 B11R0.3 OCCCOCCCNCCBr b97f8b716f9953232d9c19e770fa34c6 [0,2,0,0,0,0|1,0,0]=3 13228 B11R0.3 OCCCOCCCNCCF cd16f411a15d55b6627fcc54933cfd87 [0,2,0,0,0,0|1,0,0]=3 13229 B11R0.3 OCCCOCCCNCCI 0b6a1c9d4975989805114788432897e8 [0,2,0,0,0,0|1,0,0]=3 13230 B11R0.3 OCCCOCCCNCCO b959e5e46a857ff4c84fee347fedfd6c [0,2,0,0,0,0|1,0,0]=3 13231 B11R0.3 OCCCOCCCNCCS 223a6ea11d661bf821cad4da59f85db5 [0,2,0,0,0,0|1,0,0]=3 13232 B11R0.3 OCCCOCCNCCCF e05b870c074a5c908e93cdd50f4d99c1 [0,2,0,0,0,0|1,0,0]=3 13233 B11R0.3 OCCCOCCNCCCS b5b7e6970fc8c394bad1c657443752cf [0,2,0,0,0,0|1,0,0]=3 13234 B11R0.3 OCCOCCCNCCCF 5873cf297f4ec030d97182a306d8ca0a [0,2,0,0,0,0|2,0,0]=4 13235 B11R0.3 OCCOCCCNCCCS 53a7d0a5e9cd774cbc81225a15473019 [0,2,0,0,0,0|2,0,0]=4 13236 B11R0.3 OCCOCCNCCCCCl c1d51b75972152aaa31342a611568735 [0,2,0,0,0,0|2,0,0]=4 13237 B11R0.3 OCCOCCNCCCCF 420a8c294517dc6742683104faa1a442 [0,2,0,0,0,0|2,0,0]=4 13238 B11R0.3 OCCOCCNCCCCS 410d8fe4bf1e6beba43a457738ffbae5 [0,2,0,0,0,0|2,0,0]=4 13239 B11R0.3 OCCOCCOCCNCF 05755f2a1333f7b9f821604b56620cd4 [0,2,0,0,0,0|2,0,0]=4 13240 B11R0.3 OCCOCCOCCNCO c5ec995da9bd39fae3a08d9cbac1e688 [0,2,0,0,0,0|2,0,0]=4 13241 B11R0.3 OCCSCCNCCCCF 26471c381bcde5487f4440a169746abb [0,2,0,0,0,0|2,0,0]=4 13242 B11R0.3 OCNCCOCCOCCF 56ed88bbfdbff3450a879095cffb3c40 [0,2,0,0,0,0|2,0,0]=4 13243 B11R0.3 SCCCCCCOCCCS 73575d5752e0cce9ba8d51bed17d670f [0,2,0,0,0,0|1,0,0]=3 13244 B11R0.3 SCCCNCCCCCCCl 595fb3b67ec2e05540ca323fd810239e [0,2,0,0,0,0|2,0,0]=4 13245 B11R0.140 C#CCCCN(C)CCCCC 987273064828159e5b34e9cbcd94946f [0,2,0,0,0,0|1,0,1]=4 13246 B11R0.140 C#CCCOC(C)CCCCC bcd266bfa3d01ab80830202bf8052441 [0,2,0,0,0,0|0,0,2]=4 13247 B11R0.140 C#CCCOC(C)COCCC e0d8d0a80c7e78a0bb3a22a63942ed7f [0,2,0,0,0,0|0,0,2]=4 13248 B11R0.140 C#CCCO[C@@H](C)CCCCC d54cb69f9199441efd44ae59370d27d4 [0,2,0,0,0,0|0,0,2]=4 13249 B11R0.140 C#CCCO[C@H](C)CCCCC aac0b59a3618736cfa12231583aad515 [0,2,0,0,0,0|0,0,2]=4 13250 B11R0.140 C#CCOCC(C)OCCCC 6e2857760395a42d96c44f8816bf3f6e [0,2,0,0,0,0|0,0,2]=4 13251 B11R0.140 C/C=C/COC(C)CCCCC 77edce5e1f30cd6a3da66dfc67688109 [0,2,0,0,0,0|0,0,2]=4 13252 B11R0.140 C/C=C/COC(C)COCCC 73ca9741337f36518d7630713ea4fe59 [0,2,0,0,0,0|0,0,2]=4 13253 B11R0.140 C/C=C/CO[C@@H](C)CCCCC 597df5ea4894014a88d84ac3692dc051 [0,2,0,0,0,0|0,0,2]=4 13254 B11R0.140 C/C=C/CO[C@H](C)CCCCC 65192d271f93182bbe16e8ef03423efa [0,2,0,0,0,0|0,0,2]=4 13255 B11R0.140 C/C=C\COC(C)CCCCC 61108ccd8912e90374f2c527331982bf [0,2,0,0,0,0|0,0,2]=4 13256 B11R0.140 C/C=C\COC(C)COCCC 9a7b8575de30f90647ea785d739a83e4 [0,2,0,0,0,0|0,0,2]=4 13257 B11R0.140 C/C=C\CO[C@@H](C)CCCCC f324ed47ae8365f25bba4580d4c66f10 [0,2,0,0,0,0|0,0,2]=4 13258 B11R0.140 C/C=C\CO[C@H](C)CCCCC b35955222a9d1240cc101bd57a321e15 [0,2,0,0,0,0|0,0,2]=4 13259 B11R0.140 C=CCCCN(C)CCCCC d35127b9537d4ddf1e1aa66b0baee223 [0,2,0,0,0,0|1,0,1]=4 13260 B11R0.140 C=CCCC[C@H](C)OCCCC 78786ef571fc5f67488d05b759625267 [0,2,0,0,0,0|0,0,1]=3 13261 B11R0.140 C=CCCC[C@H](C)OCCCF ace4b1e5ff6797c23f3ace154b35c43e [0,2,0,0,0,0|1,0,1]=4 13262 B11R0.140 C=CCCC[C@H](C)OCCCS 1a9298be430fc387da4f66cacc9e4f14 [0,2,0,0,0,0|1,0,1]=4 13263 B11R0.140 C=CCCC[C@H](C)OCCOC fc9bf812658d2ed34d2da5dde1dbb179 [0,2,0,0,0,0|1,0,1]=4 13264 B11R0.140 C=CCCC[C@H](C)OCCSC 499e2e1e8ebb3e73385c6719163af9cb [0,2,0,0,0,0|1,0,1]=4 13265 B11R0.140 C=CCCC[C@H](C)OCOCC 5fb5dea5f87d6e89b4aef64954911bfb [0,2,0,0,0,0|1,0,1]=4 13266 B11R0.140 C=CCCOC(C)CCCCC 0674bd7ad4b82713d3054fec519b7071 [0,2,0,0,0,0|0,0,2]=4 13267 B11R0.140 C=CCCOC(C)COCCC ffac7c162807742e816e0a13cf3c4209 [0,2,0,0,0,0|0,0,2]=4 13268 B11R0.140 C=CCCO[C@@H](C)CCCCC e94794e481d64dafbcfd2292f8da503f [0,2,0,0,0,0|0,0,2]=4 13269 B11R0.140 C=CCCO[C@H](C)CCCCC d489e0f89e8de2a7a5c798580c64906a [0,2,0,0,0,0|0,0,2]=4 13270 B11R0.140 CC#CCOC(C)CCCCC d1b415d76b04f1acf73d242d2c3fde2d [0,2,0,0,0,0|0,0,2]=4 13271 B11R0.140 CC#CCO[C@@H](C)CCCCC 26190bc701f8260d6e2db9ba102e8e68 [0,2,0,0,0,0|0,0,2]=4 13272 B11R0.140 CC(CCCCO)NCCCCl c4521997c7375c9b36379e0667f8c45c [0,2,0,0,0,0|2,0,0]=4 13273 B11R0.140 CC(CCCCO)NCCCO 8b6f99ce1ae5015d05ffe5e8cbcdaef7 [0,2,0,0,0,0|2,0,0]=4 13274 B11R0.140 CC/C=C/CN(C)CCCCC daae4a22f1436367e66179146cdfdd89 [0,2,0,0,0,0|1,0,1]=4 13275 B11R0.140 CC=CCOC(C)CCCCC 4b171f95f050f4e502840e022150e218 [0,2,0,0,0,0|0,0,2]=4 13276 B11R0.140 CC=CCO[C@@H](C)CCCCC db6495fe183ce091d7516f693f8a9ca5 [0,2,0,0,0,0|0,0,2]=4 13277 B11R0.140 CCC#CCC(C)OCCCC 918428f654e6addf0bae8ac4d192b61f [0,2,0,0,0,0|0,0,1]=3 13278 B11R0.140 CCC#CCC(C)OCCCF ea23fa7b91f4ae9235bd3fddb291b4a5 [0,2,0,0,0,0|1,0,1]=4 13279 B11R0.140 CCC#CCC(C)OCCCS a010a5c367577d92654b10ca4e629f70 [0,2,0,0,0,0|1,0,1]=4 13280 B11R0.140 CCC#CCC(C)OCCOC a957f2e51995450bbcdf3b422c5cbd7e [0,2,0,0,0,0|1,0,1]=4 13281 B11R0.140 CCC#CCC(C)OCCSC fae65a1f752639a6a50725f27e2b47ed [0,2,0,0,0,0|1,0,1]=4 13282 B11R0.140 CCCCCC(=O)CNCCBr 1f10a721c01d3ecd43612e8ec8b7d052 [0,2,0,0,0,0|2,0,0]=4 13283 B11R0.140 CCCCCC(=O)CNCCC fd232b76e9f9bbb3d7db54487f370b06 [0,2,0,0,0,0|1,0,0]=3 13284 B11R0.140 CCCCCC(=O)CNCCF d4ae106a8baf93b45a9f483b54893c49 [0,2,0,0,0,0|2,0,0]=4 13285 B11R0.140 CCCCCC(=O)CNCCI b08eadaceb0f499f070584823e374e3e [0,2,0,0,0,0|2,0,0]=4 13286 B11R0.140 CCCCCC(=O)CNCCO c5d05f98699f342415f344c3b79de128 [0,2,0,0,0,0|2,0,0]=4 13287 B11R0.140 CCCCCC(=O)CNCCS d6e40d1e7bd9311a00319d1ffcbab0fc [0,2,0,0,0,0|2,0,0]=4 13288 B11R0.140 CCCCCC(=O)COCCC cb320e50d7832de1cd1f91018c6e947e [0,2,0,0,0,0|1,0,0]=3 13289 B11R0.140 CCCCCC(=O)COCCF 92596ed2150951e3083a3787b1447f18 [0,2,0,0,0,0|2,0,0]=4 13290 B11R0.140 CCCCCC(=O)COCCS 605f1193c8ad05368871ad071cabfb34 [0,2,0,0,0,0|2,0,0]=4 13291 B11R0.140 CCCCCC(=O)COCOC 2fb3c5e1def92cce3b62e37ffde3bede [0,2,0,0,0,0|2,0,0]=4 13292 B11R0.140 CCCCCC(=O)NCCCC 8be837e1d42ad87c18e70b4bc1ddd96f [0,2,0,0,0,0|1,0,0]=3 13293 B11R0.140 CCCCCC(=O)NCCCCl 132fcd57cec9a23dfc44f19df4200b8b [0,2,0,0,0,0|2,0,0]=4 13294 B11R0.140 CCCCCC(=O)NCCCO f8b52b861e5b967b7710b4587a208b00 [0,2,0,0,0,0|2,0,0]=4 13295 B11R0.140 CCCCCC(=O)NCCOC 980741143c21106326804f2bfe601a35 [0,2,0,0,0,0|2,0,0]=4 13296 B11R0.140 CCCCCC(=O)NCCSC 38106bfebf89c16a4d800be8f109d509 [0,2,0,0,0,0|2,0,0]=4 13297 B11R0.140 CCCCCC(C)COCCC e611647d8511f40641ce15108dbc184c [0,2,0,0,0,0|1,0,0]=3 13298 B11R0.140 CCCCCC(C)COCCF 9c93c489ac8f71ad7c00da7795c505ad [0,2,0,0,0,0|2,0,0]=4 13299 B11R0.140 CCCCCC(C)COCCS 429b7290aef38d64b0d126c93c8fecae [0,2,0,0,0,0|2,0,0]=4 13300 B11R0.140 CCCCCC(C)COCOC a876db46dc7c22a9ddfbaba218876d1f [0,2,0,0,0,0|2,0,0]=4 13301 B11R0.140 CCCCCC(C)COCSC 9e9473f910cc17d934b84d6b85904a53 [0,2,0,0,0,0|2,0,0]=4 13302 B11R0.140 CCCCCC(C)NCCCC 9cf51aeb7bb493ad3dd8f6014e839675 [0,2,0,0,0,0|1,0,0]=3 13303 B11R0.140 CCCCCC(C)NCCCCl 213b8604b34558a2465dd7f4561c52bd [0,2,0,0,0,0|2,0,0]=4 13304 B11R0.140 CCCCCC(C)NCCCF 89b81dd327f265743bf9e5f18c3e333c [0,2,0,0,0,0|2,0,0]=4 13305 B11R0.140 CCCCCC(C)NCCCO 6ce8b1ff6fc28b8f96fcabf18f1f4835 [0,2,0,0,0,0|2,0,0]=4 13306 B11R0.140 CCCCCC(C)NCCCS 990672f0a8283534c1e1f957ef909830 [0,2,0,0,0,0|2,0,0]=4 13307 B11R0.140 CCCCCC(C)NCCOC b9a41d07284af229c8d3ffaa7956e984 [0,2,0,0,0,0|2,0,0]=4 13308 B11R0.140 CCCCCC(C)NCCSC e27eaa6c5a2ec3e1184e22e7525a8573 [0,2,0,0,0,0|2,0,0]=4 13309 B11R0.140 CCCCCC(C)NCOCC 741e2b0bd6a926f03c46ffe258a7a0e7 [0,2,0,0,0,0|2,0,0]=4 13310 B11R0.140 CCCCCC(C)OCCC#N ac348f65840ead7e012850b95085e6b3 [0,2,0,0,0,0|1,0,1]=4 13311 B11R0.140 CCCCCC(C)OCCC=O e6ec618b11d1c9bc00062141befcba74 [0,2,0,0,0,0|1,0,1]=4 13312 B11R0.140 CCCCCC(C)OCCCC 8a76446f0e285bd36a48a8d4c0c453d8 [0,2,0,0,0,0|0,0,0]=2 13313 B11R0.140 CCCCCC(C)OCCCF af3c9d7ac023d74404e5924b271ad6a1 [0,2,0,0,0,0|1,0,0]=3 13314 B11R0.140 CCCCCC(C)OCCCS 64e43f0c4600cdbeda7011f6ac422054 [0,2,0,0,0,0|1,0,0]=3 13315 B11R0.140 CCCCCC(C)OCCOC fe2352d541dfe6afb562c5239062c49c [0,2,0,0,0,0|1,0,0]=3 13316 B11R0.140 CCCCCC(C)OCCSC ad005d5bb77c3394b16814bde151db6c [0,2,0,0,0,0|1,0,0]=3 13317 B11R0.140 CCCCCN(C)CCCC#N 07b68413dfaf193ba87a018a649f4b2c [0,2,0,0,0,0|1,0,1]=4 13318 B11R0.140 CCCCCN(C)CCCC=O 7cb03c357afa5396c1566fcefdac33e8 [0,2,0,0,0,0|1,0,1]=4 13319 B11R0.140 CCCCCN(C)CCCCC 0dab6e2b91abba48f221038b801f3e1f [0,2,0,0,0,0|1,0,0]=3 13320 B11R0.140 CCCCCN(C)CCCCF 6bb3274f80ef6608ce7c1b60f5ee59ee [0,2,0,0,0,0|1,0,0]=3 13321 B11R0.140 CCCCCN(C)CCCCO c1bda2d7c23ebff2ff15e9d21aa7f778 [0,2,0,0,0,0|1,0,0]=3 13322 B11R0.140 CCCCCN(C)CCCOC 7e278de42d4eb9c9f876ef14dc97c126 [0,2,0,0,0,0|1,0,0]=3 13323 B11R0.140 CCCCCN(C)CCCSC 841b1c3d5932711b07081d229371e5ec [0,2,0,0,0,0|1,0,0]=3 13324 B11R0.140 CCCCCN(C)CCOCC 6a3ee0dcd8dbea1498d511ddaaa3892e [0,2,0,0,0,0|1,0,0]=3 13325 B11R0.140 CCCCCN(C)CCSCC 4142d1ff41069c040d4c2adc29bab99f [0,2,0,0,0,0|1,0,0]=3 13326 B11R0.140 CCCCC[C@@H](C)OCCC#N 697092edbbb8f979b3dfb48802facaec [0,2,0,0,0,0|1,0,1]=4 13327 B11R0.140 CCCCC[C@@H](C)OCCC=O 13f5044c60c38ddef72f4178a1d792f0 [0,2,0,0,0,0|1,0,1]=4 13328 B11R0.140 CCCCC[C@@H](C)OCCCC e4672e1cdf0741af9395631f9acfa8ae [0,2,0,0,0,0|0,0,0]=2 13329 B11R0.140 CCCCC[C@@H](C)OCCCF 947a200163ddd103689858af03c8fa82 [0,2,0,0,0,0|1,0,0]=3 13330 B11R0.140 CCCCC[C@@H](C)OCCCS f8f162d02601cdcdbf5406c55d35334f [0,2,0,0,0,0|1,0,0]=3 13331 B11R0.140 CCCCC[C@@H](C)OCCOC a1e09d1892506018d0d3ba1d7bccfcb4 [0,2,0,0,0,0|1,0,0]=3 13332 B11R0.140 CCCCC[C@@H](C)OCCSC 4672d3bd14f2fc2d8e5f9d73df823b8b [0,2,0,0,0,0|1,0,0]=3 13333 B11R0.140 CCCCC[C@H](C)NCCCC 44052af2bf03dfdfdd8813c66ebb23ff [0,2,0,0,0,0|1,0,0]=3 13334 B11R0.140 CCCCC[C@H](C)NCCCCl eca3abef46f82ea34efc5c65f000a418 [0,2,0,0,0,0|2,0,0]=4 13335 B11R0.140 CCCCC[C@H](C)NCCCF 44d05d58f4fe96443d012ef8f32d55c3 [0,2,0,0,0,0|2,0,0]=4 13336 B11R0.140 CCCCC[C@H](C)NCCCO f42f4f5af4e85d656812f8de0a549128 [0,2,0,0,0,0|2,0,0]=4 13337 B11R0.140 CCCCC[C@H](C)NCCCS b9f0335a2443baff56fae2feb119fa9e [0,2,0,0,0,0|2,0,0]=4 13338 B11R0.140 CCCCC[C@H](C)NCCOC a73310a53211c572a3d6b34d838651a9 [0,2,0,0,0,0|2,0,0]=4 13339 B11R0.140 CCCCC[C@H](C)NCCSC c78c43026640a050f9c91afae13393f5 [0,2,0,0,0,0|2,0,0]=4 13340 B11R0.140 CCCCC[C@H](C)NCOCC bd2629791c8cccce6b739b3ec894b67f [0,2,0,0,0,0|2,0,0]=4 13341 B11R0.140 CCCCC[C@H](C)OCCC#N 5094076653df9d16642f5a5d674f1a98 [0,2,0,0,0,0|1,0,1]=4 13342 B11R0.140 CCCCC[C@H](C)OCCC=O 5954d8323fa87a2a72c5c22be2472904 [0,2,0,0,0,0|1,0,1]=4 13343 B11R0.140 CCCCC[C@H](C)OCCCC 364f0fd5e9c64b042cb4e7a98c79d828 [0,2,0,0,0,0|0,0,0]=2 13344 B11R0.140 CCCCC[C@H](C)OCCCF 3a9219a69c14b20f09b1d58065125e23 [0,2,0,0,0,0|1,0,0]=3 13345 B11R0.140 CCCCC[C@H](C)OCCCS 9ad2cb2cfbf28b2ad6f675b606fd325a [0,2,0,0,0,0|1,0,0]=3 13346 B11R0.140 CCCCC[C@H](C)OCCOC ec21f6e9d45788a089670d7a49b9ac50 [0,2,0,0,0,0|1,0,0]=3 13347 B11R0.140 CCCCC[C@H](C)OCCSC 0111ad70432ee4950251dc7169d7e139 [0,2,0,0,0,0|1,0,0]=3 13348 B11R0.140 CCCCNC(=O)CCCCF e71492931ec397f58804097c9f883b55 [0,2,0,0,0,0|1,0,1]=4 13349 B11R0.140 CCCCNC(=O)CCCCO 593f5d52babede557c322fbd8e084dab [0,2,0,0,0,0|1,0,1]=4 13350 B11R0.140 CCCCNC(=O)CCCCS bfd03e05842cd48faa780df98d501b48 [0,2,0,0,0,0|1,0,1]=4 13351 B11R0.140 CCCCNC(=O)CCCOC dc862964af79516b6ff78aca657b641f [0,2,0,0,0,0|1,0,1]=4 13352 B11R0.140 CCCCNC(=O)CCCSC 2cc4224b99b3468b35f6e9a2acdcac92 [0,2,0,0,0,0|1,0,1]=4 13353 B11R0.140 CCCCNC(=O)CCOCC c3f7e5a3b5feea58c86443dd674f7a52 [0,2,0,0,0,0|1,0,1]=4 13354 B11R0.140 CCCCNC(=O)CCSCC 7f786e36797bb7542ae7585e2d8cc4d6 [0,2,0,0,0,0|1,0,1]=4 13355 B11R0.140 CCCCNC(=O)CNCCC 7995b6d3449849e4b8d31ad7e484cdba [0,2,0,0,0,0|1,0,1]=4 13356 B11R0.140 CCCCNC(=O)COCCC c398f7dc7ea4e90cb09c80a5ecf79cc4 [0,2,0,0,0,0|1,0,1]=4 13357 B11R0.140 CCCCNC(=O)CSCCC 8c4cb842a084e76db7161f6eff9e53c7 [0,2,0,0,0,0|1,0,1]=4 13358 B11R0.140 CCCCNC(=O)NCCCC c719e405195b966f72024032958c65c8 [0,2,0,0,0,0|1,0,1]=4 13359 B11R0.140 CCCCNC(=S)NCCCC 9d59d80edfd82f82f7791a34f1a1d76d [0,2,0,0,0,0|1,0,1]=4 13360 B11R0.140 CCCCNC(C)CCCCO 53bd565484070c606e01dec30c2a1081 [0,2,0,0,0,0|1,0,0]=3 13361 B11R0.140 CCCCOC(=O)CNCCBr 36567f722e288941b861f68eb7e72c21 [0,2,0,0,0,0|1,0,1]=4 13362 B11R0.140 CCCCOC(=O)CNCCC c0a0d2697546d9e4333433b4358cb6ff [0,2,0,0,0,0|0,0,1]=3 13363 B11R0.140 CCCCOC(=O)CNCCF 7f09ea68c7ee59e33de06bc5cabb0ebb [0,2,0,0,0,0|1,0,1]=4 13364 B11R0.140 CCCCOC(=O)CNCCI 03be6762c5a3f5485d914256e9664858 [0,2,0,0,0,0|1,0,1]=4 13365 B11R0.140 CCCCOC(=O)CNCCO 02ff2a9da7644ed362156d75565f3458 [0,2,0,0,0,0|1,0,1]=4 13366 B11R0.140 CCCCOC(=O)CNCCS 34a480cdb51def64117262e59eb5ddb1 [0,2,0,0,0,0|1,0,1]=4 13367 B11R0.140 CCCCOC(=O)COCCC 78f0096971537abe87b7326c8a1f7ef2 [0,2,0,0,0,0|0,0,1]=3 13368 B11R0.140 CCCCOC(=O)COCCF bfd76b2e1c67f1de3a298fa43f8d355d [0,2,0,0,0,0|1,0,1]=4 13369 B11R0.140 CCCCOC(=O)COCCS c7fa547b1d62e79d158de635c9cf0c9f [0,2,0,0,0,0|1,0,1]=4 13370 B11R0.140 CCCCOC(=O)COCOC ec7fd1fb27d7e2656dbcaa664f302663 [0,2,0,0,0,0|1,0,1]=4 13371 B11R0.140 CCCCOC(=O)COCSC 73c2375e20f06e1605cbfc75c5b76b63 [0,2,0,0,0,0|1,0,1]=4 13372 B11R0.140 CCCCOC(C)COCCC 605a87a976b02b2b9e805fbdea0660ac [0,2,0,0,0,0|0,0,0]=2 13373 B11R0.140 CCCNCC(=O)OCCOC 9ea377657694ddfb13c31fc24ab61832 [0,2,0,0,0,0|1,0,1]=4 13374 B11R0.140 CCCOCC(=O)OCCOC d7aa92aac2eeb45a791532f48e2968be [0,2,0,0,0,0|1,0,1]=4 13375 B11R0.140 CCCOCC(C)COCCC faa2af5bc7589bad6579109d39f8cdd4 [0,2,0,0,0,0|2,0,0]=4 13376 B11R0.140 CCCOCC(C)OCCC#N 771d8750383aa02670243799b720b6fa [0,2,0,0,0,0|1,0,1]=4 13377 B11R0.140 CCCOCC(C)OCCC=O c4020a617f28731830b967961353712e [0,2,0,0,0,0|1,0,1]=4 13378 B11R0.140 CCCOCC(C)OCCCF e943be4f12580ba230a1df38adf55924 [0,2,0,0,0,0|1,0,0]=3 13379 B11R0.140 CCCOCC(C)OCCCS 60d05aff3d86ed77c047d9dc35106ebf [0,2,0,0,0,0|1,0,0]=3 13380 B11R0.140 CCCOCC(C)OCCOC db192605bcf0820f6197ff61d08916dc [0,2,0,0,0,0|1,0,0]=3 13381 B11R0.140 CCCOCC(C)OCCSC a539b49e43cb7b2b066385005edc579d [0,2,0,0,0,0|1,0,0]=3 13382 B11R0.140 CCOCCN(C)CCCCF c238cb774a849cda09c5c86d51a1a949 [0,2,0,0,0,0|2,0,0]=4 13383 B11R0.140 CCOCCN(C)CCCCO 93fc8216cc3b8b772e0d5b812a6f4262 [0,2,0,0,0,0|2,0,0]=4 13384 B11R0.140 CCOCCN(C)CCCOC 7615295b012dac3c0c329d3893697c23 [0,2,0,0,0,0|2,0,0]=4 13385 B11R0.140 CCOCCN(C)CCCSC 60581053624e354b28bfae6a911ef24c [0,2,0,0,0,0|2,0,0]=4 13386 B11R0.140 CCOCCN(C)CCOCC 1e56d97b106da3b447be8945057d4c8e [0,2,0,0,0,0|2,0,0]=4 13387 B11R0.140 CCOCCN(C)CCSCC 338ee40056b2aa6ac33680e8477cb490 [0,2,0,0,0,0|2,0,0]=4 13388 B11R0.140 CCSCCN(C)CCCCO cfdd482e626a6977012467a956ce571b [0,2,0,0,0,0|2,0,0]=4 13389 B11R0.140 CCSCCN(C)CCCOC 6b31eaca37667ee0e6545df36378fa5b [0,2,0,0,0,0|2,0,0]=4 13390 B11R0.140 CN(CCCCO)CCCCF a446e83b47ca92999dd81d294a14f316 [0,2,0,0,0,0|2,0,0]=4 13391 B11R0.140 CN(CCCCO)CCCCO b95a86a2de56ecdc743827a39350b05b [0,2,0,0,0,0|2,0,0]=4 13392 B11R0.140 COCCCN(C)CCCCF 406c5dce7e9f16d841bad75605c8e46e [0,2,0,0,0,0|2,0,0]=4 13393 B11R0.140 COCCCN(C)CCCCO e6ac46e7474efa97a48e36bba4779360 [0,2,0,0,0,0|2,0,0]=4 13394 B11R0.140 COCCCN(C)CCCOC 7f28737d866604884605320e07cfa41f [0,2,0,0,0,0|2,0,0]=4 13395 B11R0.140 COCCCN(C)CCCSC 956239ed2920bbd91a8d46f2eaf5b213 [0,2,0,0,0,0|2,0,0]=4 13396 B11R0.140 COCCNC(C)CCCCO dade5e3d29bed29ef4a6e83744249744 [0,2,0,0,0,0|2,0,0]=4 13397 B11R0.140 CSCCCN(C)CCCCO bd837ad2107bba1deef881e80b85ad58 [0,2,0,0,0,0|2,0,0]=4 13398 B11R0.140 CSCCNC(C)CCCCO c93d4954cefdbe1541d127fa9e92ee23 [0,2,0,0,0,0|2,0,0]=4 13399 B11R0.49 C#CC(C)(C)COCCCCC 33c4990cf6f8ac5a9a9d7466132301ef [0,2,0,0,0,0|0,0,2]=4 13400 B11R0.49 C#CCCCOCC(F)(F)CC 177090e8d7eadd578df70e698ed7f661 [0,2,0,0,0,0|0,0,2]=4 13401 B11R0.49 C#CCCOCCC(C)(C)CC 41a763cc9dd8eea7f62b3f0dafbedba6 [0,2,0,0,0,0|0,0,2]=4 13402 B11R0.49 C/C=C/COCCC(C)(C)CC bb3721b4c47ea75036b778f3e12e2158 [0,2,0,0,0,0|0,0,2]=4 13403 B11R0.49 C/C=C\COCCC(C)(C)CC 29bcfc62bc261d981196aba5984fbc54 [0,2,0,0,0,0|0,0,2]=4 13404 B11R0.49 C=CC(C)(C)COCCCCC 721d9c68dab929f3130cb5aa2340959f [0,2,0,0,0,0|0,0,2]=4 13405 B11R0.49 C=CCCCOCC(F)(F)CC e09de6942cfd96bc27213a59105a1939 [0,2,0,0,0,0|0,0,2]=4 13406 B11R0.49 C=CCCOCCC(C)(C)CC 3fc9b09a5a2a5c9159d0f9b2017fa275 [0,2,0,0,0,0|0,0,2]=4 13407 B11R0.49 CC#CCOCCC(C)(C)CC c7ff1cb66289be2ca9242d02036013c4 [0,2,0,0,0,0|0,0,2]=4 13408 B11R0.49 CC(C)(CF)COCCCCF 34e78798d425a7f3a7e6ee4078523fb5 [0,2,0,0,0,0|2,0,0]=4 13409 B11R0.49 CC/C=C/COCC(F)(F)CC 36ad9febd363af3a99e87068ba519b59 [0,2,0,0,0,0|0,0,2]=4 13410 B11R0.49 CC=CCOCCC(C)(C)CC c328d40349141faa4c45dd163da1faad [0,2,0,0,0,0|0,0,2]=4 13411 B11R0.49 CCC(C)(C)CCNCCCCl 76a9e596fc0d044e9f007b136859a517 [0,2,0,0,0,0|2,0,0]=4 13412 B11R0.49 CCC(C)(C)CCNCCCO 3dea64d7971e9dd93ef2381c7d916cff [0,2,0,0,0,0|2,0,0]=4 13413 B11R0.49 CCC(C)(C)CCNCCOC c656cb8690be5698aa033a22b42de38e [0,2,0,0,0,0|2,0,0]=4 13414 B11R0.49 CCC(C)(C)CCNCCSC 39dad7771b0da54ffe5a1d4d57a20167 [0,2,0,0,0,0|2,0,0]=4 13415 B11R0.49 CCC(C)(C)CCOCCC#N 6b994dbdfa5f08ac13b7c5857029a319 [0,2,0,0,0,0|1,0,1]=4 13416 B11R0.49 CCC(C)(C)CCOCCC=O 484b49cecafab052eecdeb6a3f6065ce [0,2,0,0,0,0|1,0,1]=4 13417 B11R0.49 CCC(C)(C)CCOCCCF b82582e072423f2a6ca130c68f05bb1a [0,2,0,0,0,0|1,0,0]=3 13418 B11R0.49 CCC(C)(C)CCOCCCS 105687e4953e2e57819ea4920b864293 [0,2,0,0,0,0|1,0,0]=3 13419 B11R0.49 CCC(C)(C)CCOCCOC 2ad5488df84228d9522fa1a2cc95d0d4 [0,2,0,0,0,0|1,0,0]=3 13420 B11R0.49 CCC(C)(C)CCOCCSC 7cac2f03734bc6a2c2d4de93419b76e5 [0,2,0,0,0,0|1,0,0]=3 13421 B11R0.49 CCC(C)(C)CNCCCCF e0c3c0be159506531fcbb985893d2129 [0,2,0,0,0,0|2,0,0]=4 13422 B11R0.49 CCC(C)(C)CNCCCCO 5f19416c3c3d2f8402a09e4d58e8df2a [0,2,0,0,0,0|2,0,0]=4 13423 B11R0.49 CCC(C)(C)CNCCCOC f616c84548716357273c492ea98ab7f0 [0,2,0,0,0,0|2,0,0]=4 13424 B11R0.49 CCC(C)(C)CNCCCSC 0eb573877451170151e47198deab599d [0,2,0,0,0,0|2,0,0]=4 13425 B11R0.49 CCC(C)(C)NCOCCOC 2440394d891a83423555176c43b2660a [0,2,0,0,0,0|2,0,0]=4 13426 B11R0.49 CCC(C)(O)CNCCCCF f73a0752ca6f5058067172a5299cc588 [0,2,0,0,0,0|2,0,0]=4 13427 B11R0.49 CCC(C)(O)CNCCCCO 1eb971337e18de03e1f34426656d28ba [0,2,0,0,0,0|2,0,0]=4 13428 B11R0.49 CCC(C)(O)CNCCCOC adad252bbf87fb0d1fddf166cf01e77e [0,2,0,0,0,0|2,0,0]=4 13429 B11R0.49 CCC(C)(O)CNCCCSC 534cb9097277b948ea0f852328eded79 [0,2,0,0,0,0|2,0,0]=4 13430 B11R0.49 CCC(F)(F)COCCCC#N 3c2f570e70aa034b0933b16779a949fc [0,2,0,0,0,0|1,0,1]=4 13431 B11R0.49 CCC(F)(F)COCCCC=O 56bf276bc84d4a7d1e8e45029554b9b8 [0,2,0,0,0,0|1,0,1]=4 13432 B11R0.49 CCC(F)(F)COCCCCF 2c81615b4b4cfaa6c205e68b5bbc8dda [0,2,0,0,0,0|1,0,0]=3 13433 B11R0.49 CCC(F)(F)COCCCOC cda711040c37745f327e39ae8190339a [0,2,0,0,0,0|1,0,0]=3 13434 B11R0.49 CCC(F)(F)COCCCSC d215eda1499eb68a67f9da4f137f338a [0,2,0,0,0,0|1,0,0]=3 13435 B11R0.49 CCCCCCNC(C)(C)CC 090e78091b4553139a48e41322b74359 [0,2,0,0,0,0|2,0,0]=4 13436 B11R0.49 CCCCCNCC(C)(C)CC 5bd7a3a3c857baee162e7ba1788203f3 [0,2,0,0,0,0|1,0,0]=3 13437 B11R0.49 CCCCCNCC(C)(C)CF a85fb8e865a1c89056a571ab93272f8e [0,2,0,0,0,0|2,0,0]=4 13438 B11R0.49 CCCCCNCC(C)(C)CO 3dd4f48f38eb71a0a8fd3da126ff6af9 [0,2,0,0,0,0|2,0,0]=4 13439 B11R0.49 CCCCCNCC(C)(C)OC aa174d1aa3bb3f1a8fe4beff8805e0f1 [0,2,0,0,0,0|2,0,0]=4 13440 B11R0.49 CCCCCNCC(C)(O)CC 3afff9a3ceb3046b72e3c6d823121590 [0,2,0,0,0,0|1,0,0]=3 13441 B11R0.49 CCCCCNCC(F)(F)CO 6ad4041e3030fd25e3a910ad2357cbbc [0,2,0,0,0,0|2,0,0]=4 13442 B11R0.49 CCCCCOCC(C)(C)C#N adcb972205c793f22733a465bee08218 [0,2,0,0,0,0|1,0,1]=4 13443 B11R0.49 CCCCCOCC(C)(C)C=O e2c9ab5c0e524a26ccd8e0ae778f3aa9 [0,2,0,0,0,0|1,0,1]=4 13444 B11R0.49 CCCCCOCC(C)(C)CF 9801ebebecf6e27780b8b5189bd30a21 [0,2,0,0,0,0|1,0,0]=3 13445 B11R0.49 CCCCCOCC(C)(C)OC 7245f01025090ee526667bacd0187f40 [0,2,0,0,0,0|1,0,0]=3 13446 B11R0.49 CCCCCOCC(F)(F)CC 95de06e6f3ec059bd8f8006abedf84dd [0,2,0,0,0,0|0,0,0]=2 13447 B11R0.49 CCCCCOCS(=O)(=O)NC b86118c8fa4d58e5d45607d804a0e320 [0,2,0,0,0,0|2,0,0]=4 13448 B11R0.49 CCCCNCCC(C)(C)CC dbc74b32c529d6c20bb807e42cd320e7 [0,2,0,0,0,0|1,0,0]=3 13449 B11R0.49 CCCCNCCC(C)(C)OC 28933ce26f765201a24adf56cee18e22 [0,2,0,0,0,0|2,0,0]=4 13450 B11R0.49 CCCCNCCC(F)(F)CO d82dc4417a3d55797c9666b1c93d79ef [0,2,0,0,0,0|2,0,0]=4 13451 B11R0.49 CCCCNCCS(=O)(=O)CC 90687b5f513568ed42084699664a1a79 [0,2,0,0,0,0|2,0,0]=4 13452 B11R0.49 CCCCOCCC(C)(C)C#N 3c53131023f7e2204189f321f79fea14 [0,2,0,0,0,0|1,0,1]=4 13453 B11R0.49 CCCCOCCC(C)(C)CC 698a3a82069240d24284e974b55040c8 [0,2,0,0,0,0|0,0,0]=2 13454 B11R0.49 CCCCOCCC(C)(C)OC 1898a56f9c37a6f717cdaf379c9640e8 [0,2,0,0,0,0|1,0,0]=3 13455 B11R0.49 CCCCOCCS(=O)(=O)CC a81a152febf8e0d960150b1b241f1da9 [0,2,0,0,0,0|1,0,0]=3 13456 B11R0.49 CCCCOCCS(=O)(=O)NC bb0f64669c353a56969fa6467daef92c [0,2,0,0,0,0|2,0,0]=4 13457 B11R0.49 CCCCOCCS(=O)(=O)OC d8e516db00e564951a14fe015361dcc9 [0,2,0,0,0,0|2,0,0]=4 13458 B11R0.49 CCCCOCNC(C)(C)CC 542f50236deca493337f7d07df88bb34 [0,2,0,0,0,0|1,0,0]=3 13459 B11R0.49 CCCCOCNC(C)(C)CF 2ed9dc23364f59df1d77475577418c4e [0,2,0,0,0,0|2,0,0]=4 13460 B11R0.49 CCCCOCNC(C)(C)CO 541b964a874054e7de5c1285ae8db968 [0,2,0,0,0,0|2,0,0]=4 13461 B11R0.49 CCOCCNCC(C)(C)CC 89052a8f674618a87707cadd660b58e1 [0,2,0,0,0,0|2,0,0]=4 13462 B11R0.49 CCOCCNCC(C)(O)CC 7aeeae313ba13f5618f66e76bdbaaf59 [0,2,0,0,0,0|2,0,0]=4 13463 B11R0.49 CCOCCOCC(C)(C)CF d6c5ea18b57600066bea17c92dedbb96 [0,2,0,0,0,0|2,0,0]=4 13464 B11R0.49 CCOCCOCC(C)(C)OC 4f472f5a014adc23c2ff2349adb3a989 [0,2,0,0,0,0|2,0,0]=4 13465 B11R0.49 CCOCCOCC(F)(F)CC 22781ac0bc1a6372363e4128e1b00247 [0,2,0,0,0,0|1,0,0]=3 13466 B11R0.49 CCOCOCCC(C)(C)OC 2b2cc7c74e360e804934d377272777eb [0,2,0,0,0,0|2,0,0]=4 13467 B11R0.49 CCS(=O)(=O)CCOCCCF 6c8005964f6bef19e60bd9b05ba65d57 [0,2,0,0,0,0|2,0,0]=4 13468 B11R0.49 CCS(=O)(=O)CCOCCCS b7346b48bcd6b04a919e8d06725bc1a7 [0,2,0,0,0,0|2,0,0]=4 13469 B11R0.49 CCS(=O)(=O)CCOCCOC 54bb841a2a26d48dc7f03ffaa07bf952 [0,2,0,0,0,0|2,0,0]=4 13470 B11R0.49 CCS(=O)(=O)CCOCCSC 362e7a6d895633f2d48b548d9c216293 [0,2,0,0,0,0|2,0,0]=4 13471 B11R0.49 CCSCCNCC(C)(C)CC d7d61760a6898006f189b92b6dadb307 [0,2,0,0,0,0|2,0,0]=4 13472 B11R0.49 CCSCCNCC(C)(O)CC 4c0862d74162627691f9ff69098122ed [0,2,0,0,0,0|2,0,0]=4 13473 B11R0.49 CCSCCOCC(C)(C)CF f5af24201ec2b1a2c7383c5a29469f48 [0,2,0,0,0,0|2,0,0]=4 13474 B11R0.49 CCSCCOCC(C)(C)OC 10bb362afc36145ea8d18dd0e6dc780e [0,2,0,0,0,0|2,0,0]=4 13475 B11R0.49 CCSCCOCC(F)(F)CC f6820bd82694f5ee765ffb42c5248dd4 [0,2,0,0,0,0|1,0,0]=3 13476 B11R0.49 COC(C)(C)CCOCCCF ea042409800e63e6d246e95b8b824ea0 [0,2,0,0,0,0|2,0,0]=4 13477 B11R0.49 COC(C)(C)CCOCCCS 5d6d35a24a430c7b2514f3caa18c6fbc [0,2,0,0,0,0|2,0,0]=4 13478 B11R0.49 COC(C)(C)CCOCCSC e6683c9b5988ca14d1e809afa3683fb9 [0,2,0,0,0,0|2,0,0]=4 13479 B11R0.49 COC(C)(C)COCCCCF 364634ef751fff06729433d6490970f6 [0,2,0,0,0,0|2,0,0]=4 13480 B11R0.49 COC(C)(C)COCCCCS 4855db45cc1e9018d3dc431bdcbeee30 [0,2,0,0,0,0|2,0,0]=4 13481 B11R0.49 COC(C)(C)COCCCSC 238a2d1454f11524de8528ff8561916d [0,2,0,0,0,0|2,0,0]=4 13482 B11R0.49 COCCCOCC(C)(C)CF 4df11c2b5499a66ef03f2e2496803f4e [0,2,0,0,0,0|2,0,0]=4 13483 B11R0.49 COCCCOCC(C)(C)OC 0850546989de5ac3aaa700279a716296 [0,2,0,0,0,0|2,0,0]=4 13484 B11R0.49 COCCOCCC(C)(C)OC 6154f968c9be014c568ea9dec4eecb07 [0,2,0,0,0,0|2,0,0]=4 13485 B11R0.49 CSCCCOCC(C)(C)CF 3cb5c31d68bac8779b6f3d71e0b0b05f [0,2,0,0,0,0|2,0,0]=4 13486 B11R0.70 C=C(CC)CNC(C)CCCC bd53778952e709ca0b22b936e6ca4d0b [0,2,0,0,0,0|1,0,1]=4 13487 B11R0.70 C=C(CC)CN[C@H](C)CCCC eb5b7bce2ffaf3124c12d8f6ed85c7bf [0,2,0,0,0,0|1,0,1]=4 13488 B11R0.70 C=C(CC)COC(C)CCCC da7fddeac7c286afabc2c355ce0be071 [0,2,0,0,0,0|0,0,1]=3 13489 B11R0.70 C=C(CC)COC(C)CCOC 729c9a5c7e86ab1faa32b5b3574558dc [0,2,0,0,0,0|1,0,1]=4 13490 B11R0.70 C=C(CC)COC(C)CCSC 0f58d2385949506d890f8890b36d8beb [0,2,0,0,0,0|1,0,1]=4 13491 B11R0.70 C=C(CC)COC(C)COCC f1096299019630d45170115fccb62d9f [0,2,0,0,0,0|1,0,1]=4 13492 B11R0.70 C=C(CC)CO[C@@H](C)CCCC 50bb30cbc000cf2d3fc1d73ca8b97181 [0,2,0,0,0,0|0,0,1]=3 13493 B11R0.70 C=C(CC)CO[C@H](C)CCCC 0ef784312fa207f3a887b63167aa9aeb [0,2,0,0,0,0|0,0,1]=3 13494 B11R0.70 C=C(COC(C)CCCC)OC 6b8a5e04da3dad7390ecf5e81096b57f [0,2,0,0,0,0|1,0,1]=4 13495 B11R0.70 C=C(CO[C@@H](C)CCCC)OC dc8a161de269123262deb4337a57bc2c [0,2,0,0,0,0|1,0,1]=4 13496 B11R0.70 C=C(CO[C@H](C)CCCC)OC 2ed107aae7a44e9f29385be286037f39 [0,2,0,0,0,0|1,0,1]=4 13497 B11R0.70 C=CC(C)COC(C)CCCC b111892317296341014af96e7108716f [0,2,0,0,0,0|0,0,2]=4 13498 B11R0.70 C=CCCC(C)OCC(C)CC decfb14fd51ba3a80a62e5ed853eb748 [0,2,0,0,0,0|0,0,2]=4 13499 B11R0.70 C=CCCC(C)OC[C@@H](C)CC de5ca45fed4e6775b36cc67055360266 [0,2,0,0,0,0|0,0,2]=4 13500 B11R0.70 C=CCCC(C)OC[C@H](C)CC e5dfdac13094f7684349e0f232c1e54f [0,2,0,0,0,0|0,0,2]=4 13501 B11R0.70 C=CCC[C@@H](C)OCC(C)CC 6d7a996ec1b345332ef8a5e4d9086e6e [0,2,0,0,0,0|0,0,2]=4 13502 B11R0.70 C=CCC[C@@H](C)OC[C@@H](C)CC e9be27f4ec684dbc208341623e18d1a5 [0,2,0,0,0,0|0,0,2]=4 13503 B11R0.70 C=CCC[C@@H](C)OC[C@H](C)CC eb3a31bac5f7921c534ba40ed1e492c2 [0,2,0,0,0,0|0,0,2]=4 13504 B11R0.70 CCC#CC(C)OCC(C)CC 8a6867c398fec78adb94bd9358a26595 [0,2,0,0,0,0|0,0,2]=4 13505 B11R0.70 CCC#CC(C)OC[C@@H](C)CC e862c84673a96d438d9c4eb24d2d2840 [0,2,0,0,0,0|0,0,2]=4 13506 B11R0.70 CCC#CC(C)OC[C@H](C)CC 99de4a6f21c89c2ba2188f419f26440f [0,2,0,0,0,0|0,0,2]=4 13507 B11R0.70 CCC(=O)COC(C)CCOC 8067d66e54accebcb98676c9346c8710 [0,2,0,0,0,0|1,0,1]=4 13508 B11R0.70 CCC(=O)COC(C)CCSC 656be70164e39d2a32a796e87d1a0a1a [0,2,0,0,0,0|1,0,1]=4 13509 B11R0.70 CCC(C)CCN(C)CCCO 16cba31563d12d2dd11f4f5f14bc4d04 [0,2,0,0,0,0|2,0,0]=4 13510 B11R0.70 CCC(C)CCN(C)CCOC 8120c231e56700717d3e3c0cdc1010d9 [0,2,0,0,0,0|2,0,0]=4 13511 B11R0.70 CCC(C)CCN(C)CCSC 5e27c165e888af523218bddfc123a3ea [0,2,0,0,0,0|2,0,0]=4 13512 B11R0.70 CCC(C)CNC(C)CCCO 6647c232d96663bd3c83c1ae0406a255 [0,2,0,0,0,0|2,0,0]=4 13513 B11R0.70 CCC(C)CN[C@H](C)CCCO 0b0589f5f27ae923c83939c08df5bf0c [0,2,0,0,0,0|2,0,0]=4 13514 B11R0.70 CCC(C)COC(C)CCC#N 1bc8b7354ebf79a7f604c25d178d9646 [0,2,0,0,0,0|1,0,1]=4 13515 B11R0.70 CCC(C)COC(C)CCOC 1d2ca6bff29824e4112eacddce72ef5d [0,2,0,0,0,0|1,0,0]=3 13516 B11R0.70 CCC(C)COC(C)CCSC 466d93719ff982c3e21253b569900b37 [0,2,0,0,0,0|1,0,0]=3 13517 B11R0.70 CCC(O)CNC(C)CCCO 273a012aaa671e4bfa69b1725da21cc0 [0,2,0,0,0,0|2,0,0]=4 13518 B11R0.70 CCC(O)CN[C@H](C)CCCO 6ca2fb426a3ab5570958926856170527 [0,2,0,0,0,0|2,0,0]=4 13519 B11R0.70 CCCCC(=O)NCC(C)CC 99f68098368170419d4b26874c9c0ea8 [0,2,0,0,0,0|1,0,1]=4 13520 B11R0.70 CCCCC(=O)NCC(O)CC 0ef1ba2a8e93fe275e31ff937b4c456e [0,2,0,0,0,0|1,0,1]=4 13521 B11R0.70 CCCCC(=O)NC[C@@H](C)CC 1535d54c1236f13f9b7c923c52ddbb50 [0,2,0,0,0,0|1,0,1]=4 13522 B11R0.70 CCCCC(=O)NC[C@H](O)CC ba14b0808244f4fa9a5429817d69c048 [0,2,0,0,0,0|1,0,1]=4 13523 B11R0.70 CCCCC(=O)OCN(C)CC 8f35c305ea2080aba04fca0215a3d614 [0,2,0,0,0,0|1,0,1]=4 13524 B11R0.70 CCCCC(C)COC(C)CC 5c5c347cd216a2132907d007c8b25202 [0,2,0,0,0,0|2,0,0]=4 13525 B11R0.70 CCCCC(C)NCC(=O)CC c561f2171e24ea12ec567fc4f74e5f3c [0,2,0,0,0,0|1,0,1]=4 13526 B11R0.70 CCCCC(C)NCC(Br)CBr 47ab663ac20e05ce554b40e1389472b1 [0,2,0,0,0,0|2,0,0]=4 13527 B11R0.70 CCCCC(C)NCC(C)CC a2f66b3584e63e9857937aa6bb83f184 [0,2,0,0,0,0|1,0,0]=3 13528 B11R0.70 CCCCC(C)NCC(C)CO f208c624941e4c6fbf97bfc1e02e5833 [0,2,0,0,0,0|2,0,0]=4 13529 B11R0.70 CCCCC(C)NCC(C)OC 43b0dfd2a6542f82b6a9254e9a84789f [0,2,0,0,0,0|2,0,0]=4 13530 B11R0.70 CCCCC(C)NCC(F)CO 1dd9a0b7bae55e4e038f1a8ea051bdb9 [0,2,0,0,0,0|2,0,0]=4 13531 B11R0.70 CCCCC(C)NCC(O)CC 1aa70205254e37cfcfe6dcd6f812a140 [0,2,0,0,0,0|1,0,0]=3 13532 B11R0.70 CCCCC(C)NCC(O)CF d4e71bb0c2a484dd8ebcc77928f5a864 [0,2,0,0,0,0|2,0,0]=4 13533 B11R0.70 CCCCC(C)NCC(O)CO 388d4a15f25b3eed652abce97d0f1702 [0,2,0,0,0,0|2,0,0]=4 13534 B11R0.70 CCCCC(C)NC[C@@H](C)CC 104760233765c3dba5941d26142f723e [0,2,0,0,0,0|1,0,0]=3 13535 B11R0.70 CCCCC(C)NC[C@@H](C)CO 19edcf44980fafa25a91b7abfa9cc170 [0,2,0,0,0,0|2,0,0]=4 13536 B11R0.70 CCCCC(C)NC[C@@H](C)OC 3bda0c1cc1890552403154ed7ebfe698 [0,2,0,0,0,0|2,0,0]=4 13537 B11R0.70 CCCCC(C)NC[C@@H](F)CO bac4f3f80beaf520f19f52f7fc554459 [0,2,0,0,0,0|2,0,0]=4 13538 B11R0.70 CCCCC(C)NC[C@@H](O)CO 22f50ba7ac63069facfe20c56df3bd88 [0,2,0,0,0,0|2,0,0]=4 13539 B11R0.70 CCCCC(C)NC[C@H](C)CC 5f467b13699a52df52ef3b80ffee80e3 [0,2,0,0,0,0|1,0,0]=3 13540 B11R0.70 CCCCC(C)NC[C@H](C)CO a9355a422c1cdb676146eaf82ecc45fa [0,2,0,0,0,0|2,0,0]=4 13541 B11R0.70 CCCCC(C)NC[C@H](C)OC 3319aca300743819ca167bf2a021efe5 [0,2,0,0,0,0|2,0,0]=4 13542 B11R0.70 CCCCC(C)NC[C@H](F)CO dec156b613489f76c8529462df288ebc [0,2,0,0,0,0|2,0,0]=4 13543 B11R0.70 CCCCC(C)NC[C@H](O)CC d4a763b2a460e17eac4fce670473adf4 [0,2,0,0,0,0|1,0,0]=3 13544 B11R0.70 CCCCC(C)NC[C@H](O)CO 574b95e0aba4b572ba39233f81068e3a [0,2,0,0,0,0|2,0,0]=4 13545 B11R0.70 CCCCC(C)OCC(=O)CC 91d666f1796a689af64430251353285c [0,2,0,0,0,0|0,0,1]=3 13546 B11R0.70 CCCCC(C)OCC(=O)NC ba0fbb8b6b7dadd5d08145641a30fec5 [0,2,0,0,0,0|1,0,1]=4 13547 B11R0.70 CCCCC(C)OCC(=O)OC df4e5fb162716db8a526500670efe27c [0,2,0,0,0,0|1,0,1]=4 13548 B11R0.70 CCCCC(C)OCC(Br)CBr c7a4bd064329cc610a20e386ead1cdee [0,2,0,0,0,0|1,0,0]=3 13549 B11R0.70 CCCCC(C)OCC(C)C#N e9d4647a99d2f53d958fdbc4af2e3c5f [0,2,0,0,0,0|1,0,1]=4 13550 B11R0.70 CCCCC(C)OCC(C)CC d32268f2af5384426485aad394420681 [0,2,0,0,0,0|0,0,0]=2 13551 B11R0.70 CCCCC(C)OCC(C)OC 82220f0e537e608095908c010298b231 [0,2,0,0,0,0|1,0,0]=3 13552 B11R0.70 CCCCC(C)OCC(Cl)CCl ac0db7c3d591be6edc90475c783cfaeb [0,2,0,0,0,0|1,0,0]=3 13553 B11R0.70 CCCCC(C)OCC(O)CO 1aaaabe77beea379aa39f26319e5b731 [0,2,0,0,0,0|1,0,0]=3 13554 B11R0.70 CCCCC(C)OCC(S)CS d6778f070828a722d132745f07321212 [0,2,0,0,0,0|1,0,0]=3 13555 B11R0.70 CCCCC(C)OC[C@@H](C)CC 854336e83401005d212a8c37519e1067 [0,2,0,0,0,0|0,0,0]=2 13556 B11R0.70 CCCCC(C)OC[C@@H](C)OC 47a7aec84c534152bb5081ca5a951fd5 [0,2,0,0,0,0|1,0,0]=3 13557 B11R0.70 CCCCC(C)OC[C@@H](O)CO f43692399d9dd43e33506b1c6d7afd3a [0,2,0,0,0,0|1,0,0]=3 13558 B11R0.70 CCCCC(C)OC[C@H](C)CC 7164622d010918cd24244dc26c53f910 [0,2,0,0,0,0|0,0,0]=2 13559 B11R0.70 CCCCC(C)OC[C@H](C)OC 3318933a8717fcbb7b6bddd25ade6483 [0,2,0,0,0,0|1,0,0]=3 13560 B11R0.70 CCCCC(C)OC[C@H](O)CO a8b19f073d11155681d13528762b76a5 [0,2,0,0,0,0|1,0,0]=3 13561 B11R0.70 CCCCC(O)CNC(C)CC 0e3408d603bb3cd326e586b45bf58cfc [0,2,0,0,0,0|2,0,0]=4 13562 B11R0.70 CCCCN(C)CCC(C)CC 8dba757cad7dd4d7aa50f64d01a6b693 [0,2,0,0,0,0|1,0,0]=3 13563 B11R0.70 CCCCN(C)CCC(C)CO 830d9ba9f48c3b70aabcf610293437f9 [0,2,0,0,0,0|2,0,0]=4 13564 B11R0.70 CCCCN(C)CCN(C)CC a07d19c82b1a9ec31c88afa60ced0054 [0,2,0,0,0,0|2,0,0]=4 13565 B11R0.70 CCCC[C@@H](C)NCC(=O)CC 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B11R0.70 CCCC[C@@H](C)NC[C@H](C)CC c195c73c76cc26ccc065947c437844bc [0,2,0,0,0,0|1,0,0]=3 13577 B11R0.70 CCCC[C@@H](C)NC[C@H](C)CO 141f4ac287b2c9df5e832ef76c442e71 [0,2,0,0,0,0|2,0,0]=4 13578 B11R0.70 CCCC[C@@H](C)NC[C@H](C)OC e77cb35c4ab4296e0fd4ed562c1c5b15 [0,2,0,0,0,0|2,0,0]=4 13579 B11R0.70 CCCC[C@@H](C)NC[C@H](O)CO 6f79c054ffa278df30c5b722a6d4118f [0,2,0,0,0,0|2,0,0]=4 13580 B11R0.70 CCCC[C@@H](C)OCC(=O)CC cb52e73602982a5316a49d74e42880c1 [0,2,0,0,0,0|0,0,1]=3 13581 B11R0.70 CCCC[C@@H](C)OCC(=O)NC bbf0e2fb27d2fa12374f3696d66c9f5b [0,2,0,0,0,0|1,0,1]=4 13582 B11R0.70 CCCC[C@@H](C)OCC(=O)OC d46ed4e6b264e4da227d681e0b482c0f [0,2,0,0,0,0|1,0,1]=4 13583 B11R0.70 CCCC[C@@H](C)OCC(C)C#N 6b8273196f30256aab36b9bd705d6c61 [0,2,0,0,0,0|1,0,1]=4 13584 B11R0.70 CCCC[C@@H](C)OCC(C)CC 06d95a0b373f8ec20e5e3af3eb17521e [0,2,0,0,0,0|0,0,0]=2 13585 B11R0.70 CCCC[C@@H](C)OCC(C)OC 491100ef26650ffc9cf56afb276e9fd4 [0,2,0,0,0,0|1,0,0]=3 13586 B11R0.70 CCCC[C@@H](C)OCC(O)CO 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[0,2,0,0,0,0|1,0,1]=4 13597 B11R0.70 CCCC[C@H](C)OCC(C)CC dae25a6d3254b208850eb93c2980f810 [0,2,0,0,0,0|0,0,0]=2 13598 B11R0.70 CCCC[C@H](C)OCC(C)OC df9cd9c7eaa78a2d8def7242d66db072 [0,2,0,0,0,0|1,0,0]=3 13599 B11R0.70 CCCC[C@H](C)OCC(O)CO 0145966558510c61553352ddf669773d [0,2,0,0,0,0|1,0,0]=3 13600 B11R0.70 CCCC[C@H](C)OC[C@@H](C)CC 4cd70d3fad463ea42f5538a0f70d883e [0,2,0,0,0,0|0,0,0]=2 13601 B11R0.70 CCCC[C@H](C)OC[C@@H](C)OC 9fe0babad30845fc89b003360ee0c7e6 [0,2,0,0,0,0|1,0,0]=3 13602 B11R0.70 CCCC[C@H](C)OC[C@@H](O)CO d6f6a469298a920305895d9ad162ca9a [0,2,0,0,0,0|1,0,0]=3 13603 B11R0.70 CCCC[C@H](C)OC[C@H](C)CC 0d11ffb390287bb537bb17efe9adb42f [0,2,0,0,0,0|0,0,0]=2 13604 B11R0.70 CCCC[C@H](C)OC[C@H](C)OC 9004a4c976b938c59eeb1fa71136e4a3 [0,2,0,0,0,0|1,0,0]=3 13605 B11R0.70 CCCC[C@H](C)OC[C@H](O)CO e780c9a3a2fba85e8d2e44241505eaf2 [0,2,0,0,0,0|1,0,0]=3 13606 B11R0.70 CCCNC(=O)CCC(C)CC cd72b1d8efec351864d4a1ddfe235b8b [0,2,0,0,0,0|2,0,0]=4 13607 B11R0.70 CCCOC(C)CCC(C)CC a7023d562249ef1cdafd19d571df9a05 [0,2,0,0,0,0|2,0,0]=4 13608 B11R0.70 CCOCC(C)CCC(C)CC 28686ac536c553f319d9d7f33507a6ca [0,2,0,0,0,0|2,0,0]=4 13609 B11R0.70 CCOCC(C)OCC(=O)CC b11068d0a84985607cbb861a899a4271 [0,2,0,0,0,0|1,0,1]=4 13610 B11R0.70 CCOCC(C)OCC(C)CC cc2f7a963f2b0a01147a02eea840390d [0,2,0,0,0,0|1,0,0]=3 13611 B11R0.70 CCOCC(C)OCC(C)OC 8e3f0058d459f2b437f468a3439bb889 [0,2,0,0,0,0|2,0,0]=4 13612 B11R0.70 CCOCC(C)OCC(O)CO d4fe9ce68c7c52b4ff49a333ea0ec894 [0,2,0,0,0,0|2,0,0]=4 13613 B11R0.70 CCOCC(C)OC[C@@H](C)CC 51c4642acb65549daabafc5c816d2e25 [0,2,0,0,0,0|1,0,0]=3 13614 B11R0.70 CCOCC(C)OC[C@@H](C)OC 4664492c4ea46bc0c34edf6f4864803a [0,2,0,0,0,0|2,0,0]=4 13615 B11R0.70 CCOCC(C)OC[C@@H](O)CO bba4ffa7232cb35dd48625f469754247 [0,2,0,0,0,0|2,0,0]=4 13616 B11R0.70 CCOCC(C)OC[C@H](C)CC 35bb6311151d1e0ccd7ef201475d596e [0,2,0,0,0,0|1,0,0]=3 13617 B11R0.70 CCOCC(C)OC[C@H](C)OC ae3fa4159b05cea7d974c4877accdcba [0,2,0,0,0,0|2,0,0]=4 13618 B11R0.70 CCOCC(C)OC[C@H](O)CO 764b5b1b295638b4415af0d06a982b80 [0,2,0,0,0,0|2,0,0]=4 13619 B11R0.70 CC[C@@H](C)CNC(C)CCCO d52bbaff3dc90b91a46d2c6d0cec8bbe [0,2,0,0,0,0|2,0,0]=4 13620 B11R0.70 CC[C@@H](C)CN[C@H](C)CCCO bd9aaf62e2447f6fb9f7225e52037c53 [0,2,0,0,0,0|2,0,0]=4 13621 B11R0.70 CC[C@@H](C)COC(C)CCC#N 4b8247374b7eae603f04ebcb9ad80707 [0,2,0,0,0,0|1,0,1]=4 13622 B11R0.70 CC[C@@H](C)COC(C)CCOC 5c388886577426265d78d9d1ae0c722f [0,2,0,0,0,0|1,0,0]=3 13623 B11R0.70 CC[C@@H](C)COC(C)CCSC dce5afcbdcaebd8cca5afe8214654cf7 [0,2,0,0,0,0|1,0,0]=3 13624 B11R0.70 CC[C@@H](O)CNC(C)CCCO 6c301c6645fd5f21629d67b524a0bbf6 [0,2,0,0,0,0|2,0,0]=4 13625 B11R0.70 CC[C@H](C)CNC(C)CCCO 6139392559380e75a3d8ab74d62a8da5 [0,2,0,0,0,0|2,0,0]=4 13626 B11R0.70 CC[C@H](C)CN[C@H](C)CCCO f826d874c86a3d21b35d67155581bb89 [0,2,0,0,0,0|2,0,0]=4 13627 B11R0.70 CC[C@H](C)COC(C)CCC#N 17e1bd5939fac0553ef975f757c14791 [0,2,0,0,0,0|1,0,1]=4 13628 B11R0.70 CC[C@H](C)COC(C)CCOC 635a2466bffcb7226f7095ad97b57c87 [0,2,0,0,0,0|1,0,0]=3 13629 B11R0.70 CC[C@H](C)COC(C)CCSC 1d45b8842a12f98e9c39858506a45018 [0,2,0,0,0,0|1,0,0]=3 13630 B11R0.70 COC(C)COC(C)CCSC c97e1b68b484a7f843feaf379bf4d21a [0,2,0,0,0,0|2,0,0]=4 13631 B11R0.70 COCCC(C)OCC(C)OC fac0d42e28f704aac60e7d9d2505d668 [0,2,0,0,0,0|2,0,0]=4 13632 B11R0.70 COCCC(C)OCC(O)CO 14cd9f80a293889c35b8f4d87c0cf829 [0,2,0,0,0,0|2,0,0]=4 13633 B11R0.70 COCCC(C)OC[C@@H](C)OC cee41716fa2a440f909554eb6425db5d [0,2,0,0,0,0|2,0,0]=4 13634 B11R0.70 COCCC(C)OC[C@@H](O)CO a645949d040664e8f9a4ca8edcc9758a [0,2,0,0,0,0|2,0,0]=4 13635 B11R0.70 COCCC(C)OC[C@H](C)OC 87f8a15e403b35428c3679657483f212 [0,2,0,0,0,0|2,0,0]=4 13636 B11R0.70 COCCC(C)OC[C@H](O)CO b14dc949aad3c059c05860a36b4ae6eb [0,2,0,0,0,0|2,0,0]=4 13637 B11R0.70 CO[C@@H](C)COC(C)CCSC 9e4f57c7f46e4b1a5c9fc63e280cbdd9 [0,2,0,0,0,0|2,0,0]=4 13638 B11R0.70 CO[C@H](C)COC(C)CCSC a81375d892944b0dfee6b324a3353307 [0,2,0,0,0,0|2,0,0]=4 13639 B11R0.70 CSCCC(C)OCC(O)CO a9254f97412f65e0b1dd1ee59e0ee47c [0,2,0,0,0,0|2,0,0]=4 13640 B11R0.70 CSCCC(C)OC[C@@H](O)CO 719013c593ce7c94c5b229fcd614914f [0,2,0,0,0,0|2,0,0]=4 13641 B11R0.70 CSCCC(C)OC[C@H](O)CO 0ecb6c3a283338eafeb9aec769f61d2b [0,2,0,0,0,0|2,0,0]=4 13642 B11R0.106 C=C(CC)CNCCC(C)CC d3b86c0497262c365d053c2184f18f0d [0,2,0,0,0,0|1,0,1]=4 13643 B11R0.106 C=C(CC)COCCC(C)CC c5c7d17fb5e616dd24e50e592387e62d [0,2,0,0,0,0|0,0,1]=3 13644 B11R0.106 C=C(CC)COCCC(C)OC 17bf64b1cb6ade6ef3fdffa6092bf766 [0,2,0,0,0,0|1,0,1]=4 13645 B11R0.106 C=C(CC)COCCC(S)CC 469c6896e87b98a114521f2bd0af3e37 [0,2,0,0,0,0|0,0,1]=3 13646 B11R0.106 C=C(CC)COCC[C@@H](C)CC 162dca1be9fb0bc692105a5d00e4608e [0,2,0,0,0,0|0,0,1]=3 13647 B11R0.106 C=C(COCCC(C)CC)OC 90805e633c13c2254dd6e7123656733c [0,2,0,0,0,0|1,0,1]=4 13648 B11R0.106 C=C(COCCC(S)CC)OC 48dc93592a36d9c1162927df8ab17a19 [0,2,0,0,0,0|1,0,1]=4 13649 B11R0.106 C=C(COCC[C@@H](C)CC)OC 088da90646a1258629c6e41ed1deefc7 [0,2,0,0,0,0|1,0,1]=4 13650 B11R0.106 C=CC(C)COCCC(C)CC 62eca883f649550da879ce2c11343b45 [0,2,0,0,0,0|0,0,2]=4 13651 B11R0.106 CCC(=O)CNCCC(C)CC 106100361898872279c972f823771d98 [0,2,0,0,0,0|1,0,1]=4 13652 B11R0.106 CCC(=O)COCCC(C)CC 345bfda05f7e751c0fc12f2e90b906d2 [0,2,0,0,0,0|0,0,1]=3 13653 B11R0.106 CCC(=O)COCCC(C)OC 66ff8b62fb5410b484fc4b20d6b0c46c [0,2,0,0,0,0|1,0,1]=4 13654 B11R0.106 CCC(=O)COCCC(S)CC b6366a82ee5d59706166c23a6d1c64f2 [0,2,0,0,0,0|0,0,1]=3 13655 B11R0.106 CCC(=O)COCCS(=O)CC fe9047495b7e0e3ec86b90595c8e1be7 [0,2,0,0,0,0|1,0,1]=4 13656 B11R0.106 CCC(=O)COCC[C@@H](C)CC 332a7d1082fc27f1a46b7b5a5dcf9383 [0,2,0,0,0,0|0,0,1]=3 13657 B11R0.106 CCC(=O)OCOCC(C)CC 1c501e6259176ad2eeffac7244c7b2dd [0,2,0,0,0,0|1,0,1]=4 13658 B11R0.106 CCC(=O)OCOC[C@@H](C)CC 82d3d51a6e30691b0a0763bf89f5029b [0,2,0,0,0,0|1,0,1]=4 13659 B11R0.106 CCC(=O)OCOC[C@H](C)CC 8859bddfd5e16eee958f0fceb8404582 [0,2,0,0,0,0|1,0,1]=4 13660 B11R0.106 CCC(C)CCCOC(C)CC 877dbff3613f08c83570ee3db82e576c [0,2,0,0,0,0|2,0,0]=4 13661 B11R0.106 CCC(C)CCNCC(Br)CBr d801ce2d2bee063c24ca5e0d42a2bbb1 [0,2,0,0,0,0|2,0,0]=4 13662 B11R0.106 CCC(C)CCNCC(C)CC b650f1a8b28d70ed1a27b2f17ac807d4 [0,2,0,0,0,0|1,0,0]=3 13663 B11R0.106 CCC(C)CCNCC(C)CO d824003def515100c1b9cee0bbe6931c [0,2,0,0,0,0|2,0,0]=4 13664 B11R0.106 CCC(C)CCNCC(C)OC a64504c9b51c40e3924d23926443ccd3 [0,2,0,0,0,0|2,0,0]=4 13665 B11R0.106 CCC(C)CCNCC(F)CO fb046d6f093a08b6429cdbf7cfe61208 [0,2,0,0,0,0|2,0,0]=4 13666 B11R0.106 CCC(C)CCNCC(O)CC c73bea45a39ac56689846075765f18de [0,2,0,0,0,0|1,0,0]=3 13667 B11R0.106 CCC(C)CCNCC(O)CF a04e1dde36cb3a834767372786863013 [0,2,0,0,0,0|2,0,0]=4 13668 B11R0.106 CCC(C)CCNCC(O)CO 7314532a3dc9b781b006b68cd2009832 [0,2,0,0,0,0|2,0,0]=4 13669 B11R0.106 CCC(C)CCNC[C@@H](C)CC b56a611dd646c51cbde165af52bcf220 [0,2,0,0,0,0|1,0,0]=3 13670 B11R0.106 CCC(C)CCNC[C@@H](C)CO bac8741d5d6b49c04f64193434b035df [0,2,0,0,0,0|2,0,0]=4 13671 B11R0.106 CCC(C)CCNC[C@@H](C)OC d7d55685d1c5c01c4210a81720c586d8 [0,2,0,0,0,0|2,0,0]=4 13672 B11R0.106 CCC(C)CCNC[C@@H](F)CO bd12d0b5a058ee9276673b843265dd82 [0,2,0,0,0,0|2,0,0]=4 13673 B11R0.106 CCC(C)CCNC[C@@H](O)CO 9b2091719fe7ba29f4f5bb0f6cbee9bb [0,2,0,0,0,0|2,0,0]=4 13674 B11R0.106 CCC(C)CCNC[C@H](C)CC 4b6743d773e8bff468ab7a0670302afb [0,2,0,0,0,0|1,0,0]=3 13675 B11R0.106 CCC(C)CCNC[C@H](C)CO c936f3869bb9f88e86940314d2cc5a59 [0,2,0,0,0,0|2,0,0]=4 13676 B11R0.106 CCC(C)CCNC[C@H](C)OC e67ef79a21977afa28b38bfe2adf7819 [0,2,0,0,0,0|2,0,0]=4 13677 B11R0.106 CCC(C)CCNC[C@H](F)CO 98ff328e92e2f3b615eeb16e83ae040f [0,2,0,0,0,0|2,0,0]=4 13678 B11R0.106 CCC(C)CCNC[C@H](O)CC 102c347a34b1fd0bd4426490d8bc57d4 [0,2,0,0,0,0|1,0,0]=3 13679 B11R0.106 CCC(C)CCNC[C@H](O)CO 95d2926ac9bf34573ebd03e3a151dc8e [0,2,0,0,0,0|2,0,0]=4 13680 B11R0.106 CCC(C)CCOCC(=O)NC 9de44f3d77d326dd42098d35eae5fb1e [0,2,0,0,0,0|1,0,1]=4 13681 B11R0.106 CCC(C)CCOCC(=O)OC 04047e6aa53caf612115bdc052389946 [0,2,0,0,0,0|1,0,1]=4 13682 B11R0.106 CCC(C)CCOCC(Br)CBr a688d36b43f4cab3ff3361590455d76c [0,2,0,0,0,0|1,0,0]=3 13683 B11R0.106 CCC(C)CCOCC(C)C#N b46473b3b6fab25b4381e481caa83c9c [0,2,0,0,0,0|1,0,1]=4 13684 B11R0.106 CCC(C)CCOCC(C)CC f4767ef1b97b95cdc4b74e4ecfd50e6d [0,2,0,0,0,0|0,0,0]=2 13685 B11R0.106 CCC(C)CCOCC(C)OC 156b516f34d804a59240febb38eb65b3 [0,2,0,0,0,0|1,0,0]=3 13686 B11R0.106 CCC(C)CCOCC(Cl)CCl 64c15d14d4cd326e4abbb0c2728c98d3 [0,2,0,0,0,0|1,0,0]=3 13687 B11R0.106 CCC(C)CCOCC(O)CO 5040677d413d9cf82be3aed673d40c15 [0,2,0,0,0,0|1,0,0]=3 13688 B11R0.106 CCC(C)CCOCC(S)CS 1ccb7db6ce2c82b007a59ca60e3eeb56 [0,2,0,0,0,0|1,0,0]=3 13689 B11R0.106 CCC(C)CCOC[C@@H](C)CC 5508930354fd54c38ca18ddc328d2a35 [0,2,0,0,0,0|0,0,0]=2 13690 B11R0.106 CCC(C)CCOC[C@@H](C)OC 826755d42abd3c43b3d681d340a000d0 [0,2,0,0,0,0|1,0,0]=3 13691 B11R0.106 CCC(C)CCOC[C@@H](O)CO f279d8e2ba145c0e5099aa0b50adf799 [0,2,0,0,0,0|1,0,0]=3 13692 B11R0.106 CCC(C)CCOC[C@H](C)CC ca347fca88e9b42a95ed9ccccad2b083 [0,2,0,0,0,0|0,0,0]=2 13693 B11R0.106 CCC(C)CCOC[C@H](C)OC d429151a2d8ec588a277a484f81f5b07 [0,2,0,0,0,0|1,0,0]=3 13694 B11R0.106 CCC(C)CCOC[C@H](O)CO 58322c3cdfb9a7b6901b06de235be7ab [0,2,0,0,0,0|1,0,0]=3 13695 B11R0.106 CCC(C)CNCCC(C)CO fd94d98d3cc66f78b395791594883fa7 [0,2,0,0,0,0|2,0,0]=4 13696 B11R0.106 CCC(C)CNCCC(O)CO 08a7431057283ebab985d2c04d839539 [0,2,0,0,0,0|2,0,0]=4 13697 B11R0.106 CCC(C)CNCCS(=O)CC 0243aa1e0208546910228471d6eb96da [0,2,0,0,0,0|2,0,0]=4 13698 B11R0.106 CCC(C)CNCC[C@@H](C)CO f8b7b880272abf2c4ea71c8070770b61 [0,2,0,0,0,0|2,0,0]=4 13699 B11R0.106 CCC(C)COCCC(=O)NC 46a2e65416989752518f13b2daec28ca [0,2,0,0,0,0|1,0,1]=4 13700 B11R0.106 CCC(C)COCCC(=O)OC 90b61ecf8b1a10b5e1864fc256b29965 [0,2,0,0,0,0|1,0,1]=4 13701 B11R0.106 CCC(C)COCCC(C)OC a77caf82ad86acf3df006846b048fc6d [0,2,0,0,0,0|1,0,0]=3 13702 B11R0.106 CCC(C)COCCC(S)CC d1c03c12785f2059728c6fd631c27985 [0,2,0,0,0,0|0,0,0]=2 13703 B11R0.106 CCC(C)COCCS(=O)CC 1de7e987a57d25d9c7ed8b8b67db924b [0,2,0,0,0,0|1,0,0]=3 13704 B11R0.106 CCC(C)COCC[C@@H](C)CC 73e162fc42b3b77e3e7720d7a8d776a4 [0,2,0,0,0,0|0,0,0]=2 13705 B11R0.106 CCC(C)OCCC[C@@H](C)CC 36cdaa0d803eb89690f77cfa671545ca [0,2,0,0,0,0|2,0,0]=4 13706 B11R0.106 CCC(O)CNCCC(C)CO f22a1540773b6c2efc6b9f32015b0017 [0,2,0,0,0,0|2,0,0]=4 13707 B11R0.106 CCC(O)CNCCC(O)CO 52fc5e433f9e73d7c5161160f4bbce51 [0,2,0,0,0,0|2,0,0]=4 13708 B11R0.106 CCC(O)CNCCS(=O)CC c6892fce613d8d19571199ea8a3c9977 [0,2,0,0,0,0|2,0,0]=4 13709 B11R0.106 CCC(O)CNCC[C@@H](C)CO f339eddb8326227c53308b2b90799515 [0,2,0,0,0,0|2,0,0]=4 13710 B11R0.106 CCC(S)CCOCC(=O)NC baa03b2365ea6d494a1e0a6e2c9caae6 [0,2,0,0,0,0|1,0,1]=4 13711 B11R0.106 CCC(S)CCOCC(=O)OC b15bbffda571936636baf3572a7482de [0,2,0,0,0,0|1,0,1]=4 13712 B11R0.106 CCC(S)CCOCC(C)C#N 31c8924d1e034ed2011c00799908f116 [0,2,0,0,0,0|1,0,1]=4 13713 B11R0.106 CCC(S)CCOCC(C)OC 14b4eb86273fb7bce5d2e72b634f43cf [0,2,0,0,0,0|1,0,0]=3 13714 B11R0.106 CCC(S)CCOCC(O)CO 3ba3352f1424efeeb11ee49222280fce [0,2,0,0,0,0|1,0,0]=3 13715 B11R0.106 CCC(S)CCOC[C@@H](C)CC 627c991346bbe394da2c463fafa24ce7 [0,2,0,0,0,0|0,0,0]=2 13716 B11R0.106 CCC(S)CCOC[C@@H](C)OC 96274a18216a0b4fb9946b1cbea5dc40 [0,2,0,0,0,0|1,0,0]=3 13717 B11R0.106 CCC(S)CCOC[C@@H](O)CO 0c52751945344888d7f3cc51c1d356a0 [0,2,0,0,0,0|1,0,0]=3 13718 B11R0.106 CCC(S)CCOC[C@H](C)CC 5a6c54e2edfde749b49375be2163737c [0,2,0,0,0,0|0,0,0]=2 13719 B11R0.106 CCC(S)CCOC[C@H](C)OC a9453c58a244b3278b770304dbfb5a0d [0,2,0,0,0,0|1,0,0]=3 13720 B11R0.106 CCC(S)CCOC[C@H](O)CO a00e300fe6650b01aae69f14088fff91 [0,2,0,0,0,0|1,0,0]=3 13721 B11R0.106 CCS(=O)CCOCC(Cl)CCl 972a26c62f59859be94eb433834b4d1d [0,2,0,0,0,0|2,0,0]=4 13722 B11R0.106 CC[C@@H](C)CNCCC(C)CO a99af0b8ae1489cdd5502d8d2958c378 [0,2,0,0,0,0|2,0,0]=4 13723 B11R0.106 CC[C@@H](C)CNCCC(O)CO 8ac409d018a7094c20400abee058704b [0,2,0,0,0,0|2,0,0]=4 13724 B11R0.106 CC[C@@H](C)CNCC[C@@H](C)CO cd44b5d42b1a20eb9b3f4258c2b420ee [0,2,0,0,0,0|2,0,0]=4 13725 B11R0.106 CC[C@@H](C)COCCC(=O)NC a5e10290581ede549fe1360ad5edbb11 [0,2,0,0,0,0|1,0,1]=4 13726 B11R0.106 CC[C@@H](C)COCCC(=O)OC 6ff164d42b9941a665594c3d04a64d46 [0,2,0,0,0,0|1,0,1]=4 13727 B11R0.106 CC[C@@H](C)COCCC(C)OC acb3b45c0a36ec880d890a8cdae7293c [0,2,0,0,0,0|1,0,0]=3 13728 B11R0.106 CC[C@@H](C)COCCS(=O)CC d75545fcfc21b1e5b029eff767b13697 [0,2,0,0,0,0|1,0,0]=3 13729 B11R0.106 CC[C@@H](C)COCC[C@@H](C)CC cc7b8e0c6145b4fd8f87a9fd8f4c425f [0,2,0,0,0,0|0,0,0]=2 13730 B11R0.106 CC[C@@H](O)CNCCC(C)CO d155b9587200ae71b227be304fbc37da [0,2,0,0,0,0|2,0,0]=4 13731 B11R0.106 CC[C@@H](O)CNCCS(=O)CC ccf6bab0f31b879c4654f912b8c2b950 [0,2,0,0,0,0|2,0,0]=4 13732 B11R0.106 CC[C@H](C)CCOCC(=O)NC 5f0d20f039508d83d27e225c7c3ff549 [0,2,0,0,0,0|1,0,1]=4 13733 B11R0.106 CC[C@H](C)CCOCC(=O)OC bb5d1b620636b82254ccbb745e5db12b [0,2,0,0,0,0|1,0,1]=4 13734 B11R0.106 CC[C@H](C)CCOCC(C)C#N c27e88bad52b2e00069f23cf910f2ce6 [0,2,0,0,0,0|1,0,1]=4 13735 B11R0.106 CC[C@H](C)CCOCC(C)OC 374b99e402ca9df096b206c2de35a9c5 [0,2,0,0,0,0|1,0,0]=3 13736 B11R0.106 CC[C@H](C)CCOCC(O)CO 0853b79f18c30ab02610562c0ef061ae [0,2,0,0,0,0|1,0,0]=3 13737 B11R0.106 CC[C@H](C)CCOC[C@@H](C)CC 8c7957974f4082720468e4d275ac80ca [0,2,0,0,0,0|0,0,0]=2 13738 B11R0.106 CC[C@H](C)CCOC[C@@H](C)OC dc316c6894d48507d59d446606715a49 [0,2,0,0,0,0|1,0,0]=3 13739 B11R0.106 CC[C@H](C)CCOC[C@@H](O)CO 6e98c10a944953306591a224d1969260 [0,2,0,0,0,0|1,0,0]=3 13740 B11R0.106 CC[C@H](C)CCOC[C@H](C)OC 9c5bf64ad3854c2e5e5a885b9e53c6c2 [0,2,0,0,0,0|1,0,0]=3 13741 B11R0.106 CC[C@H](C)CCOC[C@H](O)CO 35b7442a11f99842ed5d134cb4bae15d [0,2,0,0,0,0|1,0,0]=3 13742 B11R0.106 CC[C@H](C)CNCCC(C)CO dd3a276829b1b2158819a1136c12488e [0,2,0,0,0,0|2,0,0]=4 13743 B11R0.106 CC[C@H](C)CNCCC(O)CO 2b9ba26f10ad513d613cc0d51e2d575e [0,2,0,0,0,0|2,0,0]=4 13744 B11R0.106 CC[C@H](C)CNCCS(=O)CC ab64bfbf34cf6ec851d6d28443313d57 [0,2,0,0,0,0|2,0,0]=4 13745 B11R0.106 CC[C@H](C)CNCC[C@@H](C)CO 3d14a6fa6ef4bb29a4efc9de0891ba6e [0,2,0,0,0,0|2,0,0]=4 13746 B11R0.106 CC[C@H](C)COCCC(=O)NC 6cc7cc398f2addbba6e4032ac10db506 [0,2,0,0,0,0|1,0,1]=4 13747 B11R0.106 CC[C@H](C)COCCC(=O)OC 26dc8fd9b69a8d4a68fc0b44e6101e06 [0,2,0,0,0,0|1,0,1]=4 13748 B11R0.106 CC[C@H](C)COCCC(C)OC d2c430464c9cd425406057dc2308276d [0,2,0,0,0,0|1,0,0]=3 13749 B11R0.106 CC[C@H](C)COCCS(=O)CC 6abff9bac47e07350b14db87d19313fc [0,2,0,0,0,0|1,0,0]=3 13750 B11R0.106 COC(C)CCOCC(C)OC c80cd485dbd82054961cc0d2cbfe7013 [0,2,0,0,0,0|2,0,0]=4 13751 B11R0.106 COC(C)CCOCC(O)CO 1576a0d4c19607e7505439299e1c8ba7 [0,2,0,0,0,0|2,0,0]=4 13752 B11R0.106 COC(C)CCOC[C@@H](C)OC f101b474c41b6dc87fd43134a3c70673 [0,2,0,0,0,0|2,0,0]=4 13753 B11R0.106 COC(C)CCOC[C@@H](O)CO 16573f3cea9c4215ba7ebfc7153bdaf9 [0,2,0,0,0,0|2,0,0]=4 13754 B11R0.106 COC(C)CCOC[C@H](C)OC 81d2a7b9bba3d3345109af5c501be618 [0,2,0,0,0,0|2,0,0]=4 13755 B11R0.106 COC(C)CCOC[C@H](O)CO 1096dbe7a2d445297c4c26f9af950293 [0,2,0,0,0,0|2,0,0]=4 13756 B11R0.124 C#CC(CC)OCCCCCC d5fbaf7e410efb0957df37565f93b6b3 [0,2,0,0,0,0|2,0,0]=4 13757 B11R0.124 C#CC(CC)OCOCCCC fb06feb1851826f1e53c1cd2e5f9a676 [0,2,0,0,0,0|1,0,0]=3 13758 B11R0.124 C#CC(CC)OCOCCOC 2eb12dffb0854b01d9926a2a04d9c948 [0,2,0,0,0,0|2,0,0]=4 13759 B11R0.124 C#CCCCOCC(CC)CC 1b7ec6775504a05f583236af9d866f07 [0,2,0,0,0,0|0,0,2]=4 13760 B11R0.124 C#CCCCOCC(CC)OC 485f715256a449480a8d46c7d8c37699 [0,2,0,0,0,0|0,0,2]=4 13761 B11R0.124 C/C=C/CCOCC(CC)CC 7b39b2d981445f4987edfe80c73ed446 [0,2,0,0,0,0|0,0,2]=4 13762 B11R0.124 C=CC(CC)OCCCCCC 60591ddb4e2c719b1db8e3432c11938a [0,2,0,0,0,0|2,0,0]=4 13763 B11R0.124 C=CC(CC)OCOCCCC 58f44c7410ac68d7988773024da94e60 [0,2,0,0,0,0|1,0,0]=3 13764 B11R0.124 C=CC(CC)OCOCCOC 9a9e4cab762a448ff418f3cd05a81afb [0,2,0,0,0,0|2,0,0]=4 13765 B11R0.124 C=CCCCOCC(CC)CC 0d728ed4cf74b96c2ff6d879553b6a97 [0,2,0,0,0,0|0,0,2]=4 13766 B11R0.124 C=CCCCOCC(CC)OC d1af8fad0a72422698a6edcf5d7263bb [0,2,0,0,0,0|0,0,2]=4 13767 B11R0.124 C=C[C@@H](CO)NCOCCCC 0bc7429493f8b4b339ee94aeb03b9fff [0,2,0,0,0,0|2,0,0]=4 13768 B11R0.124 CC#CCCOCC(CC)CC 5fd72f1322340b8ae1c9dc7921e8497e [0,2,0,0,0,0|0,0,2]=4 13769 B11R0.124 CC/C=C/COCC(CC)CC e66248e59d036718b7a9cc4c8ae2809d [0,2,0,0,0,0|0,0,2]=4 13770 B11R0.124 CC/C=C/COCC(CC)OC a0f1eed0918798ad51dad4fa375893b3 [0,2,0,0,0,0|0,0,2]=4 13771 B11R0.124 CC/C=C\COCC(CC)CC 2c17e7ab3b97c0202dd0d3f6755b8810 [0,2,0,0,0,0|0,0,2]=4 13772 B11R0.124 CCC#CCOCC(CC)CC cadac7611a83aa73a48ea89a3b7dfa2b [0,2,0,0,0,0|0,0,2]=4 13773 B11R0.124 CCC(C#N)OCOCCOC 8c1b30f93728887d314a30248403e99e [0,2,0,0,0,0|2,0,0]=4 13774 B11R0.124 CCC(CC)CCNCCCF 00e9a2e7b3e8dcb07656bdb639e489b0 [0,2,0,0,0,0|2,0,0]=4 13775 B11R0.124 CCC(CC)CCNCCCO 98a97508ca9ce3830bb5c251960074ad [0,2,0,0,0,0|2,0,0]=4 13776 B11R0.124 CCC(CC)CCNCCCS 3f75e7e04370f915ad33c1afacbbc11a [0,2,0,0,0,0|2,0,0]=4 13777 B11R0.124 CCC(CC)CCNCCOC 369397db482a73ec4e43369796cc3a52 [0,2,0,0,0,0|2,0,0]=4 13778 B11R0.124 CCC(CC)CCNCCSC 07b554d86f0c6d412e8e6b46693076a7 [0,2,0,0,0,0|2,0,0]=4 13779 B11R0.124 CCC(CC)CNCCCCCl 1a9058fe9a1088c9afb9679279516d7a [0,2,0,0,0,0|2,0,0]=4 13780 B11R0.124 CCC(CC)CNCCCCF e124ed8f29905ef926564a2f935f1128 [0,2,0,0,0,0|2,0,0]=4 13781 B11R0.124 CCC(CC)CNCCCCO 0725f764303dc70ce07d465b5ab79b39 [0,2,0,0,0,0|2,0,0]=4 13782 B11R0.124 CCC(CC)CNCCCCS a080e830aea409a28b51d98622c13776 [0,2,0,0,0,0|2,0,0]=4 13783 B11R0.124 CCC(CC)CNCCCOC 8b95c45c7f403846efdb8b29a5828857 [0,2,0,0,0,0|2,0,0]=4 13784 B11R0.124 CCC(CC)CNCCCSC d3f0b7c0c806cd01881cbe52b286ef61 [0,2,0,0,0,0|2,0,0]=4 13785 B11R0.124 CCC(CC)COCCCC#N e08162ebb75af506606b2f4dbfd82436 [0,2,0,0,0,0|1,0,1]=4 13786 B11R0.124 CCC(CC)COCCCC=O 517bfca5592a72a3e6aff78d3006ece6 [0,2,0,0,0,0|1,0,1]=4 13787 B11R0.124 CCC(CC)COCCCCF 1675dda042e6c056aaac027762a12ce0 [0,2,0,0,0,0|1,0,0]=3 13788 B11R0.124 CCC(CC)COCCCCS 1e0b2824f572165a6d513e00617d7c8f [0,2,0,0,0,0|1,0,0]=3 13789 B11R0.124 CCC(CC)COCCCOC 3b3fc582f447b1d3985506a758798c1a [0,2,0,0,0,0|1,0,0]=3 13790 B11R0.124 CCC(CC)COCCCSC ea45ffcfbb6bba96212e4209343c4296 [0,2,0,0,0,0|1,0,0]=3 13791 B11R0.124 CCC(CC)NCOCCOC 935fb38ef9d92cc8b15355a6d2385f39 [0,2,0,0,0,0|2,0,0]=4 13792 B11R0.124 CCC(CC)OCOCCOC 261fdcf59f0503710698dcc5582681a1 [0,2,0,0,0,0|2,0,0]=4 13793 B11R0.124 CCC(CO)CNCCCCCl 79828f52ce0d0924a677641314bb8868 [0,2,0,0,0,0|2,0,0]=4 13794 B11R0.124 CCC(CO)CNCCCCF 0d799aa3ff7b7bb5f5f34685a9ca7aae [0,2,0,0,0,0|2,0,0]=4 13795 B11R0.124 CCC(CO)CNCCCCO c8ffceee056b6f131ac2908d34f83e1e [0,2,0,0,0,0|2,0,0]=4 13796 B11R0.124 CCC(CO)CNCCCCS d5b80b5e52d9f27f68532b6bbfe8b91d [0,2,0,0,0,0|2,0,0]=4 13797 B11R0.124 CCC(CO)CNCCCOC 6f7840f5e2b5ba8b669e39ea81e2654c [0,2,0,0,0,0|2,0,0]=4 13798 B11R0.124 CCC(CO)CNCCCSC 7460ed735bc1b956286312a8f9f706c1 [0,2,0,0,0,0|2,0,0]=4 13799 B11R0.124 CCC(CO)NCOCCOC e6b41687670f944bc684ceb1329b8754 [0,2,0,0,0,0|2,0,0]=4 13800 B11R0.124 CCC(COCCCC#N)OC f046063ef24b527c1b32d87def88ca84 [0,2,0,0,0,0|1,0,1]=4 13801 B11R0.124 CCC(COCCCC=O)OC 9898755c40756dd0518cb55836ab9a81 [0,2,0,0,0,0|1,0,1]=4 13802 B11R0.124 CCC(COCCCCF)OC 84257f923feb6d374523ecf71a9daaa5 [0,2,0,0,0,0|1,0,0]=3 13803 B11R0.124 CCC(COCCCOC)OC d7629aa4dd5f9163f868682420c7dfab [0,2,0,0,0,0|1,0,0]=3 13804 B11R0.124 CCC(COCCCSC)OC f7b9f9ce20d471b48522d72a8801e899 [0,2,0,0,0,0|1,0,0]=3 13805 B11R0.124 CCCCCCCN(C=O)CC 80dacb67574c723024dc07e5a2de7374 [0,2,0,0,0,0|2,0,0]=4 13806 B11R0.124 CCCCCCCN(CC)CC d6f73abf5c974da5998e08a3c696dae9 [0,2,0,0,0,0|2,0,0]=4 13807 B11R0.124 CCCCCCCN(CC)CF 87ff5dccd962c32ff19f10297ad9e3e6 [0,2,0,0,0,0|2,0,0]=4 13808 B11R0.124 CCCCCCCN(CC)CO 17ab000f929823190cb5a48d0f1468e4 [0,2,0,0,0,0|2,0,0]=4 13809 B11R0.124 CCCCCCNC(C=O)CC 952a21803754a9cb70f39153ab7a98bb [0,2,0,0,0,0|2,0,0]=4 13810 B11R0.124 CCCCCCNC(CC)CC 759130a4e14a9a05f4bfe8c2ce43125a [0,2,0,0,0,0|2,0,0]=4 13811 B11R0.124 CCCCCCNC(CC)CO d76689b329408fff8335d132e8058c87 [0,2,0,0,0,0|2,0,0]=4 13812 B11R0.124 CCCCCCN[C@@H](CC)CO f825b21dd451cd6582ecee94b389c59c [0,2,0,0,0,0|2,0,0]=4 13813 B11R0.124 CCCCCCN[C@H](CC)CO 3af3789a93eaf824fc809df72e198843 [0,2,0,0,0,0|2,0,0]=4 13814 B11R0.124 CCCCCCOC(C#N)CC b4926c7eed32f86ca86deeb98aba252e [0,2,0,0,0,0|2,0,0]=4 13815 B11R0.124 CCCCCCOC(C=O)CC c38fe7c50ce133303202e708cd40e930 [0,2,0,0,0,0|2,0,0]=4 13816 B11R0.124 CCCCCCOC(CC)CC bf0ce3d506ff0f20aaee455f0ea190b9 [0,2,0,0,0,0|2,0,0]=4 13817 B11R0.124 CCCCCNCC(CC)CC 07c5b903e8969023cbf4924ef1652a2c [0,2,0,0,0,0|1,0,0]=3 13818 B11R0.124 CCCCCNCC(CC)CO 41c4ac8e7fddae1e01667e20597e0b7f [0,2,0,0,0,0|1,0,0]=3 13819 B11R0.124 CCCCCNCC(CO)CO de5170fac72e41bb88ce0e0c7a0d8289 [0,2,0,0,0,0|2,0,0]=4 13820 B11R0.124 CCCCCNCC(OC)OC 2ab100f8b56fe70eb79464dfeaefb145 [0,2,0,0,0,0|2,0,0]=4 13821 B11R0.124 CCCCCNC[C@H](CO)OC 0e6162999b5b68b3203597bc02e3e7fd [0,2,0,0,0,0|2,0,0]=4 13822 B11R0.124 CCCCCOCC(CBr)CBr 6dc1175f0923c3dd55e641af6fe79763 [0,2,0,0,0,0|1,0,0]=3 13823 B11R0.124 CCCCCOCC(CC)CC 477fc03c02748c59f8a40365e217db44 [0,2,0,0,0,0|0,0,0]=2 13824 B11R0.124 CCCCCOCC(CC)OC 5415047bef6d576b3efa49308fe09e0e [0,2,0,0,0,0|0,0,0]=2 13825 B11R0.124 CCCCCOCC(OC)OC b566f87f9c7ab1cdc2f9a66b8aad0098 [0,2,0,0,0,0|1,0,0]=3 13826 B11R0.124 CCCCCOCN(CC)CC aa8a81205e67ef4952b8f0f6f7f2df09 [0,2,0,0,0,0|1,0,0]=3 13827 B11R0.124 CCCCNCCC(CC)CC a89f33dff9b9a9f2a1813c44969cd93d [0,2,0,0,0,0|1,0,0]=3 13828 B11R0.124 CCCCNCCC(CO)CO 6160d71af5ba030742fd2fdb87bba220 [0,2,0,0,0,0|2,0,0]=4 13829 B11R0.124 CCCCNCCC(OC)OC f8c54bd2fbd519cc525d456f9fd1677d [0,2,0,0,0,0|2,0,0]=4 13830 B11R0.124 CCCCNCCN(CC)CC 05cfb597727eb0cccd15d57814ae28f7 [0,2,0,0,0,0|2,0,0]=4 13831 B11R0.124 CCCCOCCC(OC)OC ce313b6ac7ccc2541f0fa05f062ef7df [0,2,0,0,0,0|1,0,0]=3 13832 B11R0.124 CCCCOCCN(CC)CC d9772b0285c1a1730871bdb67ecf420e [0,2,0,0,0,0|1,0,0]=3 13833 B11R0.124 CCCCOCNC(CC)CC 1497c6cec647882a4c06e09e886d0804 [0,2,0,0,0,0|1,0,0]=3 13834 B11R0.124 CCCCOCNC(CC)CO 77ccdd603c55d0ec2e9a96cc52a31a85 [0,2,0,0,0,0|1,0,0]=3 13835 B11R0.124 CCCCOCNC(CO)CO 2a7655f9fa6ec2a4e12630e34eca528d [0,2,0,0,0,0|2,0,0]=4 13836 B11R0.124 CCCCOCN[C@@H](CC)CO 0d4f8d1b51ac749756d81a34b98990ba [0,2,0,0,0,0|1,0,0]=3 13837 B11R0.124 CCCCOCN[C@H](CC)CO da22c4e2693fd2b719bc6fc18720bf70 [0,2,0,0,0,0|1,0,0]=3 13838 B11R0.124 CCCCOCOC(C#N)CC b25e9e9c5d7627002f2f391d0bd0af9b [0,2,0,0,0,0|1,0,0]=3 13839 B11R0.124 CCCCOCOC(CBr)CBr 61ab2df42c74b915a4685fdfe6c71041 [0,2,0,0,0,0|2,0,0]=4 13840 B11R0.124 CCCCOCOC(CC)CC 39b719a5a474638d0517e91d9367eaa1 [0,2,0,0,0,0|1,0,0]=3 13841 B11R0.124 CCCCOCOC(CCl)CBr 3bd06c982cacc48286e949a4250ac34c [0,2,0,0,0,0|2,0,0]=4 13842 B11R0.124 CCCCOCOC(CCl)CCl 7ec1905c67b298f9d2fa5f5b814c09b1 [0,2,0,0,0,0|2,0,0]=4 13843 B11R0.124 CCCCOCOC(CF)CF 355cd688f9dc820ebafae3f88c51fdd3 [0,2,0,0,0,0|2,0,0]=4 13844 B11R0.124 CCCCOCO[C@@H](CCl)CI b63f33789985e5caca2264d3386d4230 [0,2,0,0,0,0|2,0,0]=4 13845 B11R0.124 CCCCOCO[C@H](CCl)CI 94adea0a4ffddc882e6404ab08c3ed52 [0,2,0,0,0,0|2,0,0]=4 13846 B11R0.124 CCN(CC)CCOCCCF 71d878f1ccd0a06add36ba4310275636 [0,2,0,0,0,0|2,0,0]=4 13847 B11R0.124 CCN(CC)CCOCCCS 6aed0e026b0c54782aff3b8694005531 [0,2,0,0,0,0|2,0,0]=4 13848 B11R0.124 CCN(CC)CCOCCOC 75b3d97c766ce41eba559fa807abefd1 [0,2,0,0,0,0|2,0,0]=4 13849 B11R0.124 CCN(CC)CCOCCSC c1a241ea290864db9d2c4ae1629cb7c9 [0,2,0,0,0,0|2,0,0]=4 13850 B11R0.124 CCN(CC)COCCCCF 17322d8bd95f7ce2e132cfe68210cd80 [0,2,0,0,0,0|2,0,0]=4 13851 B11R0.124 CCN(CC)COCCCOC 19cbf79afcc873e3ecd542159b2b57c2 [0,2,0,0,0,0|2,0,0]=4 13852 B11R0.124 CCN(CC)COCCCSC 56185a23ca0f1f2e8cdaa6fb4c92c0c7 [0,2,0,0,0,0|2,0,0]=4 13853 B11R0.124 CCNCCOCC(OC)OC 6f6b39105de3741619c8219de3abc1ff [0,2,0,0,0,0|2,0,0]=4 13854 B11R0.124 CCOCCNCC(CC)CC 25d58d4eb07dd58ba55c14ef3f77de49 [0,2,0,0,0,0|2,0,0]=4 13855 B11R0.124 CCOCCNCC(CC)CO 79ef8f9581918326fa5e26891b3da9f7 [0,2,0,0,0,0|2,0,0]=4 13856 B11R0.124 CCOCCOCC(CBr)CBr f581b072a0f648b7eb0e14c0c35ad4e2 [0,2,0,0,0,0|2,0,0]=4 13857 B11R0.124 CCOCCOCC(CC)CC 657ed65e251c9188ddad539474793bb0 [0,2,0,0,0,0|1,0,0]=3 13858 B11R0.124 CCOCCOCC(CC)OC 8fd39713bb5bf30a01b381e1acc8c50d [0,2,0,0,0,0|1,0,0]=3 13859 B11R0.124 CCOCCOCC(OC)OC 310b0d371829528bc217ade020fc2063 [0,2,0,0,0,0|2,0,0]=4 13860 B11R0.124 CCOCCOCN(CC)CC 0767e1de6a5edc1f6014f718308e2dec [0,2,0,0,0,0|2,0,0]=4 13861 B11R0.124 CCOCNCCC(CC)CC 88f2c120bf1b3b9dab565d66563faab1 [0,2,0,0,0,0|2,0,0]=4 13862 B11R0.124 CCSCCNCC(CC)CC df4dae28e31316b9c657777fdeabc3d2 [0,2,0,0,0,0|2,0,0]=4 13863 B11R0.124 CCSCCNCC(CC)CO 5c3beb8de12c8f46c443f3ebef9f7cce [0,2,0,0,0,0|2,0,0]=4 13864 B11R0.124 CCSCCOCC(CBr)CBr 84cc442109759bd1dc4c6f13edf509ca [0,2,0,0,0,0|2,0,0]=4 13865 B11R0.124 CCSCCOCC(CC)CC 6ea6033f95c6f9a5dd27415a95623a01 [0,2,0,0,0,0|1,0,0]=3 13866 B11R0.124 CCSCCOCC(CC)OC cbda8b33d2f7b04e3963b2d1d1059ca2 [0,2,0,0,0,0|1,0,0]=3 13867 B11R0.124 CCSCCOCC(OC)OC f951d529e3fad953b3ce2277c58db6b0 [0,2,0,0,0,0|2,0,0]=4 13868 B11R0.124 CCSCCOCN(CC)CC f07e29e20418b3efc8ee06b3c6f165d9 [0,2,0,0,0,0|2,0,0]=4 13869 B11R0.124 CC[C@@H](CO)NCOCCOC 34d19b8c340a3fd51be05beabb1f2fcc [0,2,0,0,0,0|2,0,0]=4 13870 B11R0.124 CC[C@H](CO)NCOCCOC 7d37ab0becfce536f19ad35cdda09929 [0,2,0,0,0,0|2,0,0]=4 13871 B11R0.124 COC(CCOCCCF)OC a8a0b35d6dbb452181c3b43a119d04fb [0,2,0,0,0,0|2,0,0]=4 13872 B11R0.124 COC(CCOCCCS)OC 592a55fbf4a42931022e5d6d99118b4d [0,2,0,0,0,0|2,0,0]=4 13873 B11R0.124 COC(CCOCCSC)OC 9716b4fc3d2b6645f3d41ba7235a7510 [0,2,0,0,0,0|2,0,0]=4 13874 B11R0.124 COC(COCCCCF)OC 72dba9551ffc037fa8ddc2ed97c02164 [0,2,0,0,0,0|2,0,0]=4 13875 B11R0.124 COC(COCCCCS)OC 2cb6e1909a8b676b8cea21d690ca286a [0,2,0,0,0,0|2,0,0]=4 13876 B11R0.124 COC(COCCCSC)OC 71068a89975e7c8b42bc42fcc905c504 [0,2,0,0,0,0|2,0,0]=4 13877 B11R0.124 COCCCOCC(CBr)CBr 8d1b51144854a2b32608f02bb34ebe23 [0,2,0,0,0,0|2,0,0]=4 13878 B11R0.124 COCCCOCC(OC)OC c7800e57a306404a58053862476a41f1 [0,2,0,0,0,0|2,0,0]=4 13879 B11R0.124 COCCOCCC(OC)OC 8be613b419482b98a42461936b3c167c [0,2,0,0,0,0|2,0,0]=4 13880 B11R0.124 CSCCCOCC(CBr)CBr e2f75d4e9bda35efa72a83fceeb9e686 [0,2,0,0,0,0|2,0,0]=4 13881 B11R0.124 FCCCCOCC(CBr)CBr e62fee2acb98e7c8c7c110795cf68c0b [0,2,0,0,0,0|2,0,0]=4 13882 B11R0.154 C=C(CC)CN(C)CCCCC 9ec083951527f9b867003d36670bf206 [0,2,0,0,0,0|1,0,1]=4 13883 B11R0.154 CCC(C)CC(C)NCCCF 04572165e9752709d2dd587b436390aa [0,2,0,0,0,0|2,0,0]=4 13884 B11R0.154 CCC(C)CC(C)NCCCO b76647d376d42eaf5675b75e14be58fa [0,2,0,0,0,0|2,0,0]=4 13885 B11R0.154 CCC(C)CC(C)NCCCS 9e6269a073d03b347f0fff92a5f774da [0,2,0,0,0,0|2,0,0]=4 13886 B11R0.154 CCC(C)CC(C)NCCOC a069084d0d0c12e6ee8db21454179302 [0,2,0,0,0,0|2,0,0]=4 13887 B11R0.154 CCC(C)CC(C)NCCSC bae022abac9f5be2e1b86cd296894796 [0,2,0,0,0,0|2,0,0]=4 13888 B11R0.154 CCC(C)CN(C)CCCCO 5312f66cd3a97d472dcd8808bffc88bf [0,2,0,0,0,0|2,0,0]=4 13889 B11R0.154 CCC(C)CN(C)CCCOC fb430058e71c4fb13c62d99943e1bfec [0,2,0,0,0,0|2,0,0]=4 13890 B11R0.154 CCC(O)CN(C)CCCCF d95a60d2775694ab2a827979798f6092 [0,2,0,0,0,0|2,0,0]=4 13891 B11R0.154 CCC(O)CN(C)CCCCO 27e06fd04a98b8ac80e316b2c21ee94d [0,2,0,0,0,0|2,0,0]=4 13892 B11R0.154 CCC(O)CN(C)CCCOC 2331ce4e54102c4390e3faa8da71603f [0,2,0,0,0,0|2,0,0]=4 13893 B11R0.154 CCC(O)CN(C)CCCSC 585b655557f37a5c41317146ac3bafc1 [0,2,0,0,0,0|2,0,0]=4 13894 B11R0.154 CCCCCC(=O)CN(C)CC 30366db760f80dff1900f3d8d8a8eb20 [0,2,0,0,0,0|2,0,0]=4 13895 B11R0.154 CCCCCC(=O)NC(C)CC 262ef4edc9ec8245baac4f07e5e9b05f [0,2,0,0,0,0|2,0,0]=4 13896 B11R0.154 CCCCCC(=O)N[C@@H](C)CC cc5954556163eddbab17d6f2286c6d5a [0,2,0,0,0,0|2,0,0]=4 13897 B11R0.154 CCCCCC(=O)N[C@H](C)CC 7da21d20a8de2d55a27316da359a6a33 [0,2,0,0,0,0|2,0,0]=4 13898 B11R0.154 CCCCCC(C)NC(C)CC 6b768cd417bf1ab4f56fb460dbbaebf9 [0,2,0,0,0,0|2,0,0]=4 13899 B11R0.154 CCCCCC(C)N[C@@H](C)CC 14258c5b71e688e7345d25ee0ab9b221 [0,2,0,0,0,0|2,0,0]=4 13900 B11R0.154 CCCCCC(C)N[C@H](C)CC e0a72263141be070ffb3316b3ed2dc4a [0,2,0,0,0,0|2,0,0]=4 13901 B11R0.154 CCCCCC(C)OC(C)CC fc643163d2b891af0c0926d7f7eb2462 [0,2,0,0,0,0|2,0,0]=4 13902 B11R0.154 CCCCCC(C)O[C@@H](C)CC da1300fa38abc5a9011c506e97ae86c1 [0,2,0,0,0,0|2,0,0]=4 13903 B11R0.154 CCCCCC(C)O[C@H](C)CC 5f460a324fee5c3fec72e73bca2add32 [0,2,0,0,0,0|2,0,0]=4 13904 B11R0.154 CCCCCN(C)CC(=O)CC bc4198bf04991e42a831c18e59480a90 [0,2,0,0,0,0|1,0,1]=4 13905 B11R0.154 CCCCCN(C)CC(C)CC ddc41fe6bc67fe620fae44e12c9a3c7a [0,2,0,0,0,0|1,0,0]=3 13906 B11R0.154 CCCCCN(C)CC(C)CO f63451ea47bf893dd5f421d84aa94bae [0,2,0,0,0,0|2,0,0]=4 13907 B11R0.154 CCCCCN(C)CC(C)OC 035169fedeb2ce8bec9658ccba49723e [0,2,0,0,0,0|2,0,0]=4 13908 B11R0.154 CCCCCN(C)CC(O)CC 7ae7d1c610d1ff44858aed3840f873ac [0,2,0,0,0,0|1,0,0]=3 13909 B11R0.154 CCCCCN(C)CC(O)CF cfef230b8c5417a26b561c2c17d03b0c [0,2,0,0,0,0|2,0,0]=4 13910 B11R0.154 CCCCCN(C)CC(O)CO 42ecc86cb9be9f73fa794b2553e2c5e6 [0,2,0,0,0,0|2,0,0]=4 13911 B11R0.154 CCCCCN(C)C[C@@H](C)CC 5bd000c5c14a440e2ff76d7a2dd21caf [0,2,0,0,0,0|1,0,0]=3 13912 B11R0.154 CCCCCN(C)C[C@@H](C)CO d138841f0b0ec1aa4b3d4800774aac27 [0,2,0,0,0,0|2,0,0]=4 13913 B11R0.154 CCCCCN(C)C[C@@H](C)OC a0456f5a3bb731c7192a7d777f2fc3a3 [0,2,0,0,0,0|2,0,0]=4 13914 B11R0.154 CCCCCN(C)C[C@@H](O)CO d774ffdc81b8cb1bcbb40769e3541be3 [0,2,0,0,0,0|2,0,0]=4 13915 B11R0.154 CCCCCN(C)C[C@H](C)CC c798021cc7f3e5f99685ffcf4bc37caf [0,2,0,0,0,0|1,0,0]=3 13916 B11R0.154 CCCCCN(C)C[C@H](C)CO ba06d59e68a8b51dbe573064dbcc4a4c [0,2,0,0,0,0|2,0,0]=4 13917 B11R0.154 CCCCCN(C)C[C@H](C)OC 552a513ab3664a17e7aa373376ebd9bf [0,2,0,0,0,0|2,0,0]=4 13918 B11R0.154 CCCCCN(C)C[C@H](O)CO bdcd6119efd0c5fea869515037037504 [0,2,0,0,0,0|2,0,0]=4 13919 B11R0.154 CCCCC[C@@H](C)OC(C)CC 51c578f0319615a410c0ef65ae55d4bb [0,2,0,0,0,0|2,0,0]=4 13920 B11R0.154 CCCCC[C@H](C)NC(C)CC 1e6be1469cd5bf36b9b7f65e2ba78e01 [0,2,0,0,0,0|2,0,0]=4 13921 B11R0.154 CCCCC[C@H](C)N[C@@H](C)CC f93021dcdbef5d2d95b635670b96be17 [0,2,0,0,0,0|2,0,0]=4 13922 B11R0.154 CCCCC[C@H](C)N[C@H](C)CC a900949361c71300fc11b7049b77de7b [0,2,0,0,0,0|2,0,0]=4 13923 B11R0.154 CCCCC[C@H](C)OC(C)CC d26536a90aeff68338d067622136554f [0,2,0,0,0,0|2,0,0]=4 13924 B11R0.154 CCCCC[C@H](C)O[C@@H](C)CC 80fa37361d22f5be457b77facfc339ed [0,2,0,0,0,0|2,0,0]=4 13925 B11R0.154 CCCCC[C@H](C)O[C@H](C)CC d0b6ca99c00ec0460fe469da71a605d9 [0,2,0,0,0,0|2,0,0]=4 13926 B11R0.154 CCCCNC(=O)CC(C)CC d31a01276300abdc95d24254c3ee0196 [0,2,0,0,0,0|1,0,1]=4 13927 B11R0.154 CCCCNC(=O)CC(O)CC 92b44cbeed12a13cdd77a96626d420b8 [0,2,0,0,0,0|1,0,1]=4 13928 B11R0.154 CCCCNC(=O)C[C@@H](C)CC 41224ffdc5c3570f914684ae9d2252ac [0,2,0,0,0,0|1,0,1]=4 13929 B11R0.154 CCCCNC(=O)C[C@@H](O)CC 12e7048243fe1d6d308243c530eaef53 [0,2,0,0,0,0|1,0,1]=4 13930 B11R0.154 CCCCNC(=O)C[C@H](C)CC 52d1709aff4335c28250979e425dbc20 [0,2,0,0,0,0|1,0,1]=4 13931 B11R0.154 CCCCNC(=O)C[C@H](O)CC 6e0f54c9b9c4f2ae2f6516c70082aabe [0,2,0,0,0,0|1,0,1]=4 13932 B11R0.154 CCCCNC(C)CC(C)CC a823c0bf6d5c8b1dbb06a93a07523126 [0,2,0,0,0,0|1,0,0]=3 13933 B11R0.154 CCCCOC(=O)CN(C)CC 46ec8fad816883260181673b7bfb0f84 [0,2,0,0,0,0|1,0,1]=4 13934 B11R0.154 CCCCOC(C)CC(=O)OC c821b97e61479eeb6f4d3918e3f6be55 [0,2,0,0,0,0|1,0,1]=4 13935 B11R0.154 CCCCOC(C)CC(C)OC af007d199bf5343c54d65d50605428ec [0,2,0,0,0,0|1,0,0]=3 13936 B11R0.154 CCCCO[C@@H](C)CC(=O)OC 6e8b570bf6e9c14ee3056bc55e9ea0f8 [0,2,0,0,0,0|1,0,1]=4 13937 B11R0.154 CCCCO[C@H](C)CC(=O)OC e37b033a1d682368876e963f16660675 [0,2,0,0,0,0|1,0,1]=4 13938 B11R0.154 CCOCCN(C)CC(C)CC eaec423902c9d9beb96dc5da7fad50bf [0,2,0,0,0,0|2,0,0]=4 13939 B11R0.154 CCOCCN(C)CC(O)CC 1a5af7f18a292be36f482b53f71a5662 [0,2,0,0,0,0|2,0,0]=4 13940 B11R0.154 CCOCCN(C)C[C@@H](C)CC 26eb6a0a225c5f2f6065e7cd9fb99112 [0,2,0,0,0,0|2,0,0]=4 13941 B11R0.154 CCOCCN(C)C[C@H](C)CC a8ba42c1a664f6cdd4b5ebb885f0ae21 [0,2,0,0,0,0|2,0,0]=4 13942 B11R0.154 CCOCNC(C)CC(C)CC b079ee32b7fc35c461d4acfc6f201c2b [0,2,0,0,0,0|2,0,0]=4 13943 B11R0.154 CCSCCN(C)CC(O)CC 35e14c2190f499e2075923c46d6c213f [0,2,0,0,0,0|2,0,0]=4 13944 B11R0.154 CC[C@@H](C)CN(C)CCCCO 8f9a03b6777c025eee6c325eb61e5fc0 [0,2,0,0,0,0|2,0,0]=4 13945 B11R0.154 CC[C@@H](C)CN(C)CCCOC 8be604f580ce48bb189ad3a43c38fdbe [0,2,0,0,0,0|2,0,0]=4 13946 B11R0.154 CC[C@H](C)CN(C)CCCCO 9502985beb6ce8e2880f8758a4f4d951 [0,2,0,0,0,0|2,0,0]=4 13947 B11R0.154 CC[C@H](C)CN(C)CCCOC 7a0636c9421c36fc4943442c3dbe353a [0,2,0,0,0,0|2,0,0]=4 13948 B11R0.154 COC(C)CC(C)OCCCF 468fef4bb5499c2f7cb8404ae01f2a56 [0,2,0,0,0,0|2,0,0]=4 13949 B11R0.154 COC(C)CC(C)OCCCS 55ca252d84c8175417e0fd8944d5be9c [0,2,0,0,0,0|2,0,0]=4 13950 B11R0.154 COC(C)CC(C)OCCSC b061c3c0dc40d48c17b9d7e556b18418 [0,2,0,0,0,0|2,0,0]=4 13951 B11R0.154 COCCOC(C)CC(C)OC 2c52e61359fc1f797264be05de587fdc [0,2,0,0,0,0|2,0,0]=4 13952 B11R0.11 CCCCC(=O)N(C)CCCC 7dad5d8e8bfe9b0ddfef2e09d45a8eda [0,2,0,0,0,0|1,0,1]=4 13953 B11R0.11 CCCCC(C)N(C)CCCC 31ec6d4694b083d3602a1d85126446b3 [0,2,0,0,0,0|1,0,0]=3 13954 B11R0.11 CCCCC(C)N(C)CCCO fed4d4c5b3f5730655131806513ff808 [0,2,0,0,0,0|2,0,0]=4 13955 B11R0.11 CCCCC(C)N(C)CCOC eba2781633cb3a59657a931ba376bfe5 [0,2,0,0,0,0|2,0,0]=4 13956 B11R0.11 CCCCC(C)N(C)CCSC e23bd256627b4752bc44ff300dde1785 [0,2,0,0,0,0|2,0,0]=4 13957 B11R0.11 CCCCC(O)C(=O)NCCC 08018766b6839562ad7bd788da1df983 [0,2,0,0,0,0|2,0,0]=4 13958 B11R0.11 CCCCN(C)C(C)CCCO 9edc88738d23926502fc1b7a09c2cb17 [0,2,0,0,0,0|2,0,0]=4 13959 B11R0.11 CCCC[C@@H](O)C(=O)NCCC b494a02b34c330a020a33f32c0dcfa27 [0,2,0,0,0,0|2,0,0]=4 13960 B11R0.11 CCCC[C@H](O)C(=O)NCCC b77f17f943bd1faa8f4b7bb97452a886 [0,2,0,0,0,0|2,0,0]=4 13961 B11R0.152 C#CC(CCCC)OC/C=C/C 395c94faef6054ff2424443c6bf6df88 [0,2,0,0,0,0|0,0,2]=4 13962 B11R0.152 C#CC(CCCC)OC/C=C\C dac0bd0169e978f0ce91b44458ed9c4a [0,2,0,0,0,0|0,0,2]=4 13963 B11R0.152 C#CC(CCCC)OCCC#N 76e2a19fe4afdaecca479c580d83f7e6 [0,2,0,0,0,0|1,0,1]=4 13964 B11R0.152 C#CC(CCCC)OCCC=C 05542e78af1f48b61f95d8fdf9a18644 [0,2,0,0,0,0|0,0,2]=4 13965 B11R0.152 C#CC(CCCC)OCCC=O 529913e5fde1033d3802faa1de8985e0 [0,2,0,0,0,0|1,0,1]=4 13966 B11R0.152 C#CC(CCCC)OCCCC 34466f8486f9d23dccb2bf81d7ac06ef [0,2,0,0,0,0|0,0,0]=2 13967 B11R0.152 C#CC(CCCC)OCCCF 5e016e384a496cf5c2aab99a117fba09 [0,2,0,0,0,0|1,0,0]=3 13968 B11R0.152 C#CC(CCCC)OCCCS bcdc92e910c8790684377efff4590d9b [0,2,0,0,0,0|1,0,0]=3 13969 B11R0.152 C#CC(CCCC)OCCOC af738f5bc1c3c7a3e94f2394c32c8b82 [0,2,0,0,0,0|1,0,0]=3 13970 B11R0.152 C#CC(CCCC)OCCSC 8f31774c37382c7cb26a107dbd36552d [0,2,0,0,0,0|1,0,0]=3 13971 B11R0.152 C#CC(CCCC)OCOCC 3c52f7f172a91cd969fbb8ab1b3255c2 [0,2,0,0,0,0|1,0,0]=3 13972 B11R0.152 C#CC(CCCCC)OCCC 0c180a1bc78e038fe589780ea4641747 [0,2,0,0,0,0|2,0,0]=4 13973 B11R0.152 C#CCCOC(C#C)CCCC c6d4598059ea67500301653088982d37 [0,2,0,0,0,0|0,0,2]=4 13974 B11R0.152 C#CCCOC(C=C)CCCC ac30eb227a9b391f63d76b49aaa29b3e [0,2,0,0,0,0|0,0,2]=4 13975 B11R0.152 C#CCCOC(CC)CCCC d8bac0184c61a48281b26b7e6bede53a [0,2,0,0,0,0|0,0,2]=4 13976 B11R0.152 C#C[C@H](CCCCC)OCCC 5bcdf538314c902ada08dce2c1c11583 [0,2,0,0,0,0|2,0,0]=4 13977 B11R0.152 C/C=C/COC(CC)CCCC 83e1c9c3afe8c0765d19ca8c05fe43a3 [0,2,0,0,0,0|0,0,2]=4 13978 B11R0.152 C/C=C\COC(CC)CCCC e4a1eda46b48b52b831705ed29232321 [0,2,0,0,0,0|0,0,2]=4 13979 B11R0.152 C=CC(CCCC)OC/C=C/C 96f17d2677eb5a50b14ee2276e7ac517 [0,2,0,0,0,0|0,0,2]=4 13980 B11R0.152 C=CC(CCCC)OC/C=C\C a82f0a1e568319dbcc3aa63fce90bc09 [0,2,0,0,0,0|0,0,2]=4 13981 B11R0.152 C=CC(CCCC)OCCC#N 332896e535d833e064fa8961fe7c6c6c [0,2,0,0,0,0|1,0,1]=4 13982 B11R0.152 C=CC(CCCC)OCCC=O 23c59f13e54b818df52947eebb79e975 [0,2,0,0,0,0|1,0,1]=4 13983 B11R0.152 C=CC(CCCC)OCCCC 735a8f2c345ecda1ba3e67de99dbf6de [0,2,0,0,0,0|0,0,0]=2 13984 B11R0.152 C=CC(CCCC)OCCCF 5782291ff024f21eb2c6c014773e8933 [0,2,0,0,0,0|1,0,0]=3 13985 B11R0.152 C=CC(CCCC)OCCCS a6d98c349eab9e78ae2736f274a523c1 [0,2,0,0,0,0|1,0,0]=3 13986 B11R0.152 C=CC(CCCC)OCCOC b3cd73b349b52b902a1bc9d7ab5ec8da [0,2,0,0,0,0|1,0,0]=3 13987 B11R0.152 C=CC(CCCC)OCCSC 9e6436d7b62d4cf127710ffc74a8d870 [0,2,0,0,0,0|1,0,0]=3 13988 B11R0.152 C=CC(CCCC)OCOCC 0f77b7db8068eb23ad7c592789df2f5f [0,2,0,0,0,0|1,0,0]=3 13989 B11R0.152 C=CC(CCCCC)OCCC b8f7f4b3c36c14e7c71130b4faf5bf44 [0,2,0,0,0,0|2,0,0]=4 13990 B11R0.152 C=CCCOC(C=C)CCCC f2653cdceb7367d436917ad227ed16e0 [0,2,0,0,0,0|0,0,2]=4 13991 B11R0.152 C=CCCOC(CC)CCCC 06180620b984381643ba9590741be2e0 [0,2,0,0,0,0|0,0,2]=4 13992 B11R0.152 C=C[C@H](CCCCC)OCCC 079a321513731a15be8a8ba6b60102d9 [0,2,0,0,0,0|2,0,0]=4 13993 B11R0.152 CC#CCC(CC)OCCCC b430c587ca6d7fa73e998e685cd3698d [0,2,0,0,0,0|0,0,2]=4 13994 B11R0.152 CC#CCOC(CC)CCCC 1bcacd08c6a6ea975ed978a3eb6e4881 [0,2,0,0,0,0|0,0,2]=4 13995 B11R0.152 CC=CCOC(CC)CCCC e13d537eed9412e5e851212004774838 [0,2,0,0,0,0|0,0,2]=4 13996 B11R0.152 CCCCC(CC)CCOCC d10689b361b044ef9215192bce787a09 [0,2,0,0,0,0|2,0,0]=4 13997 B11R0.152 CCCCC(CC)CNCCC 68ad1975366b4aac6f8a6533a24173f4 [0,2,0,0,0,0|2,0,0]=4 13998 B11R0.152 CCCCC(CC)COCCC 1596fb586f35d6257c58a437260e8f23 [0,2,0,0,0,0|2,0,0]=4 13999 B11R0.152 CCCCC(CC)NCCCCl 6633dfd8bb92219792bb5bc64d962eec [0,2,0,0,0,0|2,0,0]=4 14000 B11R0.152 CCCCC(CC)NCCCO c4dd78353ade1fc43c9028f5f689538b [0,2,0,0,0,0|2,0,0]=4 14001 B11R0.152 CCCCC(CC)NCCOC 6ca06bbf5ee49911b8df52f2511d5cc9 [0,2,0,0,0,0|2,0,0]=4 14002 B11R0.152 CCCCC(CC)NCCSC 6e57c4ac9d69711114f57b66bd3421bf [0,2,0,0,0,0|2,0,0]=4 14003 B11R0.152 CCCCC(CC)OCCC#N 17668e584f72e06d83479848994d5c67 [0,2,0,0,0,0|1,0,1]=4 14004 B11R0.152 CCCCC(CC)OCCC=O b5daa50956c27df2e3c885ddd4693691 [0,2,0,0,0,0|1,0,1]=4 14005 B11R0.152 CCCCC(CC)OCCCF 87b757998fef58278636d8d198e71690 [0,2,0,0,0,0|1,0,0]=3 14006 B11R0.152 CCCCC(CC)OCCCS 608785a7a50e15eaab2adae887dda12b [0,2,0,0,0,0|1,0,0]=3 14007 B11R0.152 CCCCC(CC)OCCOC 18eb75c977ddb45453d6d02a26c0c657 [0,2,0,0,0,0|1,0,0]=3 14008 B11R0.152 CCCCC(CC)OCCSC e34603a685d1109ce04bff26b9bf2111 [0,2,0,0,0,0|1,0,0]=3 14009 B11R0.152 CCCCC(CC)OCOCC 621997a8c4fb5e5da72c9381134bb7b1 [0,2,0,0,0,0|1,0,0]=3 14010 B11R0.152 CCCCC(CO)NCCCCl 5c3bc53a65e64e4a94b430609962d2d2 [0,2,0,0,0,0|2,0,0]=4 14011 B11R0.152 CCCCC(CO)NCCCF 69c82196cdfd13c3bea00334bacae174 [0,2,0,0,0,0|2,0,0]=4 14012 B11R0.152 CCCCC(CO)NCCCO 8633867a1fd5f956c3c5b31325ed330c [0,2,0,0,0,0|2,0,0]=4 14013 B11R0.152 CCCCC(CO)NCCCS 9b3249626772fde880e67bbb6670399a [0,2,0,0,0,0|2,0,0]=4 14014 B11R0.152 CCCCC(CO)NCCOC fc2f3ab0af2d99652ef57c10b4360cc8 [0,2,0,0,0,0|2,0,0]=4 14015 B11R0.152 CCCCC(CO)NCCSC 7af422d98841370de90e8b2d2179a663 [0,2,0,0,0,0|2,0,0]=4 14016 B11R0.152 CCCCC(CO)NCOCC 555f450adbd54468234f3b1dd1325789 [0,2,0,0,0,0|2,0,0]=4 14017 B11R0.152 CCCCCC(CC)COCC 4c88b6563313027b2d3f2d0ddd463d22 [0,2,0,0,0,0|2,0,0]=4 14018 B11R0.152 CCCCCC(CC)OCCC eb8abd30125ee681a13a1a1c98757d32 [0,2,0,0,0,0|2,0,0]=4 14019 B11R0.152 CCCCCN(C=O)CCCC da9d9018a9c5b1cea9ee60f531307452 [0,2,0,0,0,0|1,0,0]=3 14020 B11R0.152 CCCCCN(CC)CCCC bf8eb649855f132d9bfb256ba88bcd5b [0,2,0,0,0,0|1,0,0]=3 14021 B11R0.152 CCCCCN(CC)CCCO 08ca90ae5da9518d59380ba6e8880023 [0,2,0,0,0,0|2,0,0]=4 14022 B11R0.152 CCCCCN(CC)CCOC 2ac9f85ba3ceb74aea392ac9336cf99c [0,2,0,0,0,0|2,0,0]=4 14023 B11R0.152 CCCCCN(CF)CCCC 8d81dfcc5996696554089070820f875c [0,2,0,0,0,0|1,0,0]=3 14024 B11R0.152 CCCCCN(CO)CCCC fbaf3264022e1f143f9c8652efbd996f [0,2,0,0,0,0|1,0,0]=3 14025 B11R0.152 CCCCC[C@H](CC)OCCC cd6f24cc3c62a85a2f8d47f083573856 [0,2,0,0,0,0|2,0,0]=4 14026 B11R0.152 CCCCN(C=O)CCCCO b9332866f49048682d06288cea8190ea [0,2,0,0,0,0|2,0,0]=4 14027 B11R0.152 CCCCN(CC)CCCCF 00b880975c2cb4c0d59ead1caa9e2352 [0,2,0,0,0,0|2,0,0]=4 14028 B11R0.152 CCCCN(CC)CCCCO 69f8a1ddabdbf35a22d7af97022a899d [0,2,0,0,0,0|2,0,0]=4 14029 B11R0.152 CCCCN(CC)CCCOC 6882ac95a357ff79eed539f182472471 [0,2,0,0,0,0|2,0,0]=4 14030 B11R0.152 CCCCN(CC)CCCSC 36c43f0079b89a386c38e3ed6522733d [0,2,0,0,0,0|2,0,0]=4 14031 B11R0.152 CCCCN(CC)CCNCC cceea839159edd0e838108eac8f67b84 [0,2,0,0,0,0|2,0,0]=4 14032 B11R0.152 CCCCN(CC)CCOCC 703291d986f0fdfb3b36517c2c27d8d0 [0,2,0,0,0,0|2,0,0]=4 14033 B11R0.152 CCCCN(CC)CCSCC 06fbbf6a33990d9988fb371c1eb696b5 [0,2,0,0,0,0|2,0,0]=4 14034 B11R0.152 CCCCN(CF)CCCCO 0706520bdf3dd5beb701d93ceb39199c [0,2,0,0,0,0|2,0,0]=4 14035 B11R0.152 CCCCN(CO)CCCCO 81d250d8c182d4dc30e00d233159a6f8 [0,2,0,0,0,0|2,0,0]=4 14036 B11R0.152 CCCCNC(CC)CCCC d321950a6c3e89aba8ae946f5f6793a9 [0,2,0,0,0,0|1,0,0]=3 14037 B11R0.152 CCCCNC(CO)CCCC 0f6f7fb7d3d53ff801ec48fa932fe6d2 [0,2,0,0,0,0|1,0,0]=3 14038 B11R0.152 CCCCNC(CO)CCCO e9052d36dac41caa28df029658b40a00 [0,2,0,0,0,0|2,0,0]=4 14039 B11R0.152 CCCCNC(CO)CCSC df01967bbb1dff2686abde52ebaaee8d [0,2,0,0,0,0|2,0,0]=4 14040 B11R0.152 CCCCN[C@@H](CO)CCCC 456f46e5eb710a4bf96c888471b1b0fe [0,2,0,0,0,0|1,0,0]=3 14041 B11R0.152 CCCCN[C@@H](CO)CCSC b3e02d70fd9f640518d7a73c99d083cb [0,2,0,0,0,0|2,0,0]=4 14042 B11R0.152 CCCCN[C@H](CO)CCCC 5b815a58e9cda8e2bfe58fe42fb981b2 [0,2,0,0,0,0|1,0,0]=3 14043 B11R0.152 CCCCN[C@H](CO)CCSC 6d86b6b6398d04882fdee4805e1ca3eb [0,2,0,0,0,0|2,0,0]=4 14044 B11R0.152 CCCCOC(CC)CCCC c1f3bbc6a563dbff01f8ab6ea3f3a6ef [0,2,0,0,0,0|0,0,0]=2 14045 B11R0.152 CCCC[C@@H](CC)CNCCC 04f28e4a45b5b9810b2dda6ded3a3568 [0,2,0,0,0,0|2,0,0]=4 14046 B11R0.152 CCCC[C@@H](CC)COCCC 59b28df42dea06fca802a12e7155a975 [0,2,0,0,0,0|2,0,0]=4 14047 B11R0.152 CCCC[C@@H](CO)NCCCF ce1ffc6b6a63a4eb44eaf98dbd7108d6 [0,2,0,0,0,0|2,0,0]=4 14048 B11R0.152 CCCC[C@@H](CO)NCCCO 52db9fc4a25b1afcbcb6df9bace3594f [0,2,0,0,0,0|2,0,0]=4 14049 B11R0.152 CCCC[C@@H](CO)NCCCS 213e63c069162b79b92b67d277e9d2bf [0,2,0,0,0,0|2,0,0]=4 14050 B11R0.152 CCCC[C@@H](CO)NCCOC 7396369b61b4258f9e58e006327d57c4 [0,2,0,0,0,0|2,0,0]=4 14051 B11R0.152 CCCC[C@@H](CO)NCCSC ad4b2bd162e1a1807e931033dd97f410 [0,2,0,0,0,0|2,0,0]=4 14052 B11R0.152 CCCC[C@@H](CO)NCOCC de4e70a0f9add793b1dd1f6399eff906 [0,2,0,0,0,0|2,0,0]=4 14053 B11R0.152 CCCC[C@H](CO)NCCCF 208ce87652ec3376a03a953a2718bc30 [0,2,0,0,0,0|2,0,0]=4 14054 B11R0.152 CCCC[C@H](CO)NCCCO c9b1f14c1e3a69fc05888b54c51d7c38 [0,2,0,0,0,0|2,0,0]=4 14055 B11R0.152 CCCC[C@H](CO)NCCCS 5f40ae10c78298f8eff630150806cc29 [0,2,0,0,0,0|2,0,0]=4 14056 B11R0.152 CCCC[C@H](CO)NCCOC 87cd93cf21826e6334513277256a2480 [0,2,0,0,0,0|2,0,0]=4 14057 B11R0.152 CCCC[C@H](CO)NCCSC 885540787d36bcb154461caa7dd42bae [0,2,0,0,0,0|2,0,0]=4 14058 B11R0.152 CCCC[C@H](CO)NCOCC a86261dcee4b12208b54daeb3c141df9 [0,2,0,0,0,0|2,0,0]=4 14059 B11R0.321 CCCCNC(C)(C)CCCO 05ef1a0c78d678e81634a691b1ce739c [0,2,0,0,0,0|2,0,0]=4 14060 B11R0.321 CCCCNC(C)(C)CCSC e74598feb4e47529d22e5ae1809b25f4 [0,2,0,0,0,0|2,0,0]=4 14061 B11R0.321 CCCCNC(C)(C)COCC b4ac2c0e6e447ef02199013295c93b50 [0,2,0,0,0,0|2,0,0]=4 14062 B11R0.321 CCCCNC(C)(C)CSCC d940b88f8b80693f155c096aada1c540 [0,2,0,0,0,0|2,0,0]=4 14063 B9R1.4 CCC1CCN1CCF e83832e76db1764f085fa01a2d26e7f4 [1,0,0,1,0,0|2,0,0]=4 14064 B9R1.4 CCC1CCN1CCO 42e0c0d6b21111978f6a52e5b99908e1 [1,0,0,1,0,0|2,0,0]=4 14065 B9R1.4 CCC1CCN1CCS 02f96558439bcb2cab2f5e51ee0e1ee0 [1,0,0,1,0,0|2,0,0]=4 14066 B9R1.4 CCC1CCN1COC a0151a3c3e58bd85c763dd3a1a9a1267 [1,0,0,1,0,0|2,0,0]=4 14067 B9R1.4 CCC1CCN1CSC edf2d038c36316dce345a9fff0fd60c7 [1,0,0,1,0,0|2,0,0]=4 14068 B9R1.4 CCCN1CCC1CC ffd208b29fec7bd4973f3c2e2df945a8 [1,0,0,1,0,0|1,0,0]=3 14069 B9R1.4 CCCN1CCC1CO 33129f2326759bd9720a53e2ca2c6bf6 [1,0,0,1,0,0|2,0,0]=4 14070 B9R1.4 CCCN1CC[C@@H]1CO e1b1e89d7dc4e0489358392e42c76f69 [1,0,0,1,0,0|2,0,0]=4 14071 B9R1.4 CCCN1CC[C@H]1CO d7949bf66e85eea0dd23f24feebae878 [1,0,0,1,0,0|2,0,0]=4 14072 B9R1.4 CCN1CCC1CCO 8ae3244fa8f43e0a305689cf5a724afa [1,0,0,1,0,0|2,0,0]=4 14073 B9R1.4 CCN1CCC1COC e67d05205d1bdb3e9257bbabd5608dd9 [1,0,0,1,0,0|2,0,0]=4 14074 B9R1.4 CCN1CC[C@@H]1COC 6f30b4052ce34d38b3a5648c96c1f144 [1,0,0,1,0,0|2,0,0]=4 14075 B9R1.4 CCN1CC[C@H]1COC ccab33799af8fdd6316402dcaac2513e [1,0,0,1,0,0|2,0,0]=4 14076 B9R1.4 CCNC1CCC1OC 0f664223af5b60ab9cdbf5ed461a859a [1,0,0,1,0,0|2,0,0]=4 14077 B9R1.4 CCN[C@@H]1CC[C@@H]1OC 99902442d880cad5b69ba19b750ed789 [1,0,0,1,0,0|2,0,0]=4 14078 B9R1.4 CCN[C@@H]1CC[C@H]1OC 32e0f6cd631da980c7182d0387843a2c [1,0,0,1,0,0|2,0,0]=4 14079 B9R1.4 CCN[C@H]1CC[C@@H]1OC b22b19141bf08ebb5c748150dd50aa85 [1,0,0,1,0,0|2,0,0]=4 14080 B9R1.4 CCN[C@H]1CC[C@H]1OC dfe876a2e1fdb14f3260fce8b603d7f5 [1,0,0,1,0,0|2,0,0]=4 14081 B9R1.8 CCCN1CCCOC1 f24207267ec2bfd6a98a300d3d8157f4 [1,0,0,1,0,0|1,0,0]=3 14082 B9R1.8 CCCN1CCCSC1 fc4ecc758cc6d6867cee0458403a64c8 [1,0,0,1,0,0|1,1,0]=4 14083 B9R1.8 CCCN1CCOCC1 ce923e943381b09f8eaedf8907082db3 [1,0,0,1,0,0|2,0,0]=4 14084 B9R1.8 CCCN1CCSCC1 4159fc6666f36d84ca3e8db8e4c21218 [1,0,0,1,0,0|2,0,0]=4 14085 B9R1.8 CCNC1CCCOC1 44e7a9c60ab74c80ef1160380a9b9fb7 [1,0,0,1,0,0|1,0,0]=3 14086 B9R1.8 CCNC1CCOCC1 c0daf1fa4c1e38e303ccc560bdf15914 [1,0,0,1,0,0|2,0,0]=4 14087 B9R1.8 CCNC1CCSCC1 e97705abb4309fae49cd9e4ef5264d02 [1,0,0,1,0,0|2,0,0]=4 14088 B9R1.8 CCN[C@@H]1CCCOC1 6c80b60090682b5fd207bb8d7a62fd53 [1,0,0,1,0,0|1,0,0]=3 14089 B9R1.8 CCN[C@H]1CCCOC1 e5738a32ab8207497f49a57ad67aa158 [1,0,0,1,0,0|1,0,0]=3 14090 B9R1.8 CCOC1CCCCC1 42d86f4740ed23d8e061935637b3e037 [1,0,0,1,0,0|1,0,0]=3 14091 B9R1.8 CCOC1CCCCO1 c72d85277d313af8f6a59b457effacb6 [1,0,0,1,0,0|1,0,0]=3 14092 B9R1.8 CCOC1CCCOC1 28e0b80b41504c5ce6342a42ff1482ae [1,0,0,1,0,0|1,0,0]=3 14093 B9R1.8 CCOC1CCCSC1 8f50cc38cd9825cb05861ebd8195f318 [1,0,0,1,0,0|1,1,0]=4 14094 B9R1.8 CCOC1CCOCC1 fd86eef19d7eefde56e35a599458ddd0 [1,0,0,1,0,0|2,0,0]=4 14095 B9R1.8 CCOC1CCSCC1 45ac356b0a4faae19c54a0a24f086ac8 [1,0,0,1,0,0|2,0,0]=4 14096 B9R1.8 CCO[C@@H]1CCCOC1 e2635ce7ad18ae3f1004b0745c859319 [1,0,0,1,0,0|1,0,0]=3 14097 B9R1.8 CCO[C@H]1CCCOC1 bd7b8624ac6ebefc862948904b1aa0ec [1,0,0,1,0,0|1,0,0]=3 14098 B9R1.8 COCN1CCCOC1 c364dc2d4494ac9786df7b2cf3053834 [1,0,0,1,0,0|2,0,0]=4 14099 B9R1.8 CSCN1CCCOC1 5d666822a598b662553ba42c79846800 [1,0,0,1,0,0|2,0,0]=4 14100 B9R1.8 FCCN1CCCOC1 cdaa695734e1d05f4de904e1f9eb02c3 [1,0,0,1,0,0|2,0,0]=4 14101 B9R1.8 FCNC1CCCOC1 f46187a4b9edf5a33dd858b3408cd5a5 [1,0,0,1,0,0|2,0,0]=4 14102 B9R1.8 FCN[C@@H]1CCCOC1 f1042be1dfa07d78f6bb0111244d5293 [1,0,0,1,0,0|2,0,0]=4 14103 B9R1.8 FCN[C@H]1CCCOC1 9bb8cf9f44abdfdc0d1c6e67254f9e6e [1,0,0,1,0,0|2,0,0]=4 14104 B9R1.8 FCOC1CCCCC1 c197a407df0a4ab8cd1695541dd8db87 [1,0,0,1,0,0|2,0,0]=4 14105 B9R1.8 FCOC1CCCCO1 188437cec4861d522453fb2eaf58909a [1,0,0,1,0,0|2,0,0]=4 14106 B9R1.8 FCOC1CCCOC1 cecf144bbbce7aae827e62950965aaeb [1,0,0,1,0,0|2,0,0]=4 14107 B9R1.8 FCO[C@@H]1CCCOC1 35c5c2a9d31bb0abca5942cca8109165 [1,0,0,1,0,0|2,0,0]=4 14108 B9R1.8 FCO[C@H]1CCCOC1 92280d91891bf7567ce57feebf7ca29c [1,0,0,1,0,0|2,0,0]=4 14109 B9R1.8 OCCN1CCCOC1 4ac1af6b96a772d2363a3a7688cf99c1 [1,0,0,1,0,0|2,0,0]=4 14110 B9R1.8 OCNC1CCCOC1 1e46b72657889f1bc5f310e94cc9c168 [1,0,0,1,0,0|2,0,0]=4 14111 B9R1.8 OCN[C@@H]1CCCOC1 c945eddb3482423f8ee44c5f8e36f316 [1,0,0,1,0,0|2,0,0]=4 14112 B9R1.8 OCN[C@H]1CCCOC1 ce9921cc8ee8caf462b02b7aa2785265 [1,0,0,1,0,0|2,0,0]=4 14113 B9R1.8 SCCN1CCCOC1 893a8d975b9660a4e9697691e49955e0 [1,0,0,1,0,0|2,0,0]=4 14114 B9R1.12 BrCCNC1CCCC1 c6c521b2ce9b0d6d3447aa138bc49678 [1,0,0,1,0,0|2,0,0]=4 14115 B9R1.12 C#CCOC1CCCC1 8722ca3512977b1a522adee489822a80 [1,0,0,1,0,0|0,0,2]=4 14116 B9R1.12 C=CCOC1CCCC1 22f7677a5a2db535f14966e96785d78f [1,0,0,1,0,0|0,0,2]=4 14117 B9R1.12 CCCCN1CCSC1 eb973459745f14d3b9e84a65caeb4d73 [1,0,0,1,0,0|2,0,0]=4 14118 B9R1.12 CCCNC1CCCC1 6c561cdfdd3ce17ce90e8fda71317d57 [1,0,0,1,0,0|1,0,0]=3 14119 B9R1.12 CCCNC1CCOC1 8aa4794435ee80b6e90e022aed381d39 [1,0,0,1,0,0|2,0,0]=4 14120 B9R1.12 CCCNC1CCSC1 023898adfd5e887d7d4eb31ae8590a2f [1,0,0,1,0,0|2,0,0]=4 14121 B9R1.12 CCCN[C@@H]1CCOC1 8731fe7bb7ba2b0f318f1146b2eb04ff [1,0,0,1,0,0|2,0,0]=4 14122 B9R1.12 CCCN[C@H]1CCOC1 5f78ec583f0541e99fcedcac0aab945c [1,0,0,1,0,0|2,0,0]=4 14123 B9R1.12 CCCOC1C=CCC1 c828ce14c6c0406fcb0a810d3d8e329e [1,0,0,1,0,0|0,0,2]=4 14124 B9R1.12 CCCOC1CC=CC1 285ed002ac68ed1b1a9e755794aa3e39 [1,0,0,1,0,0|0,0,2]=4 14125 B9R1.12 CCCOC1CCCC1 8b31bdd2ae6636509668964f17d3af12 [1,0,0,1,0,0|0,0,0]=2 14126 B9R1.12 CCCOC1CCCO1 4e4ce5597ea66ad501ec25fa53d020dd [1,0,0,1,0,0|1,0,0]=3 14127 B9R1.12 CCCOC1CCOC1 8cbb45f98e2fad4f08813db013294a6a [1,0,0,1,0,0|1,0,0]=3 14128 B9R1.12 CCCOC1CCSC1 fc9e487eb825d14f235b876c3bbdabe1 [1,0,0,1,0,0|1,0,0]=3 14129 B9R1.12 CCCO[C@@H]1CCOC1 0ced0c25035c746f7789ae5343f851de [1,0,0,1,0,0|1,0,0]=3 14130 B9R1.12 CCCO[C@@H]1CCSC1 857d38deec95d71a6c13b08d35a3e44d [1,0,0,1,0,0|1,0,0]=3 14131 B9R1.12 CCCO[C@H]1CCOC1 1602edfc26983fb15df3b9be5c904156 [1,0,0,1,0,0|1,0,0]=3 14132 B9R1.12 CCCO[C@H]1CCSC1 04bf48acf94ce8449471813ae1bee855 [1,0,0,1,0,0|1,0,0]=3 14133 B9R1.12 CCNCC1CCCC1 5a3ad05440161202bff87c340c2ae6eb [1,0,0,1,0,0|1,0,0]=3 14134 B9R1.12 CCNCC1CCCO1 0d10918d6022ab0ba029f9bc507ef0d5 [1,0,0,1,0,0|1,0,0]=3 14135 B9R1.12 CCNCC1CCOC1 6d12a38928caf06de03d6ba41184df23 [1,0,0,1,0,0|2,0,0]=4 14136 B9R1.12 CCNC[C@@H]1CCCO1 b1829889cbf982f3fcb1bb0335d251c8 [1,0,0,1,0,0|1,0,0]=3 14137 B9R1.12 CCNC[C@@H]1CCOC1 40248396918497bc57b744b3d8e84c74 [1,0,0,1,0,0|2,0,0]=4 14138 B9R1.12 CCNC[C@H]1CCCO1 5696667f73ca7c93f1dd7a4fdf14dc92 [1,0,0,1,0,0|1,0,0]=3 14139 B9R1.12 CCNC[C@H]1CCOC1 baba2e16764a3a1555b4742a47a27539 [1,0,0,1,0,0|2,0,0]=4 14140 B9R1.12 CCOCC1CCCC1 78dfb99153363e6ae71186392081c4c4 [1,0,0,1,0,0|1,0,0]=3 14141 B9R1.12 CCOCC1CCCO1 2054eb6e81b646f33dc6d98216be64f2 [1,0,0,1,0,0|1,0,0]=3 14142 B9R1.12 CCOCC1CCCS1 fda5a0c4a41f4031af715e57eedde033 [1,0,0,1,0,0|1,1,0]=4 14143 B9R1.12 CCOCC1CCOC1 081b8a302e395d21423b992decfc7864 [1,0,0,1,0,0|2,0,0]=4 14144 B9R1.12 CCOCN1CCCC1 10706d052d0b8a1bdaf6406298dca6b2 [1,0,0,1,0,0|2,0,0]=4 14145 B9R1.12 CCOC[C@@H]1CCCO1 a2ec9082c3cefa87960b2eb598c83c97 [1,0,0,1,0,0|1,0,0]=3 14146 B9R1.12 CCOC[C@@H]1CCOC1 110af67d4a3e1691dca41b1082ecc779 [1,0,0,1,0,0|2,0,0]=4 14147 B9R1.12 CCOC[C@H]1CCCO1 2cdc5ffd4542ac26ce370875427cfda2 [1,0,0,1,0,0|1,0,0]=3 14148 B9R1.12 CCOC[C@H]1CCOC1 324f1ca870799e717de7b33cf11a0c3d [1,0,0,1,0,0|2,0,0]=4 14149 B9R1.12 COCNC1CCCC1 69ef5e2fdd70a2f2bb46ba3386c41e11 [1,0,0,1,0,0|2,0,0]=4 14150 B9R1.12 COCOC1CCCC1 2943e1e93dd873c7391396ec9633419e [1,0,0,1,0,0|1,0,0]=3 14151 B9R1.12 COCOC1CCCO1 20e6e3930a8f26f1a2205045bfbc4b80 [1,0,0,1,0,0|2,0,0]=4 14152 B9R1.12 COCOC1CCOC1 e9d9a10254a6baa4781ce926e79d8b93 [1,0,0,1,0,0|2,0,0]=4 14153 B9R1.12 COCOC1CCSC1 68275d2dbe8be17733396f3053c214ec [1,0,0,1,0,0|2,0,0]=4 14154 B9R1.12 COCO[C@@H]1CCOC1 3c0f58aab96615857d8e136b865ed1f3 [1,0,0,1,0,0|2,0,0]=4 14155 B9R1.12 COCO[C@@H]1CCSC1 7d53f49d684a9180b1c33386777891ac [1,0,0,1,0,0|2,0,0]=4 14156 B9R1.12 COCO[C@H]1CCOC1 8133d4d67e253e16186a29454db02d6c [1,0,0,1,0,0|2,0,0]=4 14157 B9R1.12 COCO[C@H]1CCSC1 2e4e1272ce572991723ec546fb5b52a9 [1,0,0,1,0,0|2,0,0]=4 14158 B9R1.12 CSCNC1CCCC1 2e1014ab5233abcd36004d67c2d1ee5e [1,0,0,1,0,0|2,0,0]=4 14159 B9R1.12 CSCOC1CCCC1 4d4f03fa523a880c781e82e000450363 [1,0,0,1,0,0|1,0,0]=3 14160 B9R1.12 CSCOC1CCCO1 821393188cd42b944a93875485042f3d [1,0,0,1,0,0|2,0,0]=4 14161 B9R1.12 CSCOC1CCOC1 523c5964255b20331442401d08b74d78 [1,0,0,1,0,0|2,0,0]=4 14162 B9R1.12 CSCOC1CCSC1 bcb85737cc5aaa6113d0a31bd110800e [1,0,0,1,0,0|2,0,0]=4 14163 B9R1.12 CSCO[C@@H]1CCOC1 71bd07547b11da590959ab5ae26b7e05 [1,0,0,1,0,0|2,0,0]=4 14164 B9R1.12 CSCO[C@@H]1CCSC1 8b12cf96f1f1b752543e5061d9b736d5 [1,0,0,1,0,0|2,0,0]=4 14165 B9R1.12 CSCO[C@H]1CCOC1 3ff7af1a3dbefdaa8a422af5c7d18b8a [1,0,0,1,0,0|2,0,0]=4 14166 B9R1.12 CSCO[C@H]1CCSC1 af058d9a184a89e30fa8410ac05105b6 [1,0,0,1,0,0|2,0,0]=4 14167 B9R1.12 FCCNC1CCCC1 eaad322a8d099d7489668f25d58860c1 [1,0,0,1,0,0|2,0,0]=4 14168 B9R1.12 FCCOC1CCCC1 b4ff08bedab1a43d91a75b49048b20b0 [1,0,0,1,0,0|1,0,0]=3 14169 B9R1.12 FCCOC1CCCO1 68089a96fc2763d6f90ba264b52bfdb0 [1,0,0,1,0,0|2,0,0]=4 14170 B9R1.12 FCCOC1CCOC1 8226ef62e780e2848ff1001af75efe32 [1,0,0,1,0,0|2,0,0]=4 14171 B9R1.12 FCCOC1CCSC1 630c15e77520505e31017002292d16d8 [1,0,0,1,0,0|2,0,0]=4 14172 B9R1.12 FCCO[C@@H]1CCOC1 97356b60405b376ab9cfd5b7cefcc310 [1,0,0,1,0,0|2,0,0]=4 14173 B9R1.12 FCCO[C@@H]1CCSC1 08b0ddd83ef2ffa9acad590a98b42bda [1,0,0,1,0,0|2,0,0]=4 14174 B9R1.12 FCCO[C@H]1CCOC1 fb10116a0bffd5cecb6c48c23693415c [1,0,0,1,0,0|2,0,0]=4 14175 B9R1.12 FCCO[C@H]1CCSC1 24d573dbeed11db6ffaeb7b8fe4cd838 [1,0,0,1,0,0|2,0,0]=4 14176 B9R1.12 FCNCC1CCCC1 9277e70e00c6b640519328c5935762a1 [1,0,0,1,0,0|2,0,0]=4 14177 B9R1.12 FCNCC1CCCO1 665c9adebd19ef617d641f3c589abe88 [1,0,0,1,0,0|2,0,0]=4 14178 B9R1.12 FCNC[C@@H]1CCCO1 809275c33906a737f7ac2333e68726e9 [1,0,0,1,0,0|2,0,0]=4 14179 B9R1.12 FCNC[C@H]1CCCO1 2273dc9fe4fc65ee4398b187540ff460 [1,0,0,1,0,0|2,0,0]=4 14180 B9R1.12 FCOCC1CCCC1 adc3b963cccb9f54cfa066ef371e1987 [1,0,0,1,0,0|2,0,0]=4 14181 B9R1.12 FCOCC1CCCO1 3da5144201bb64495a12aa51835dee04 [1,0,0,1,0,0|2,0,0]=4 14182 B9R1.12 FCOC[C@@H]1CCCO1 008ba7c0caf0f25668fb12124f9e8a74 [1,0,0,1,0,0|2,0,0]=4 14183 B9R1.12 FCOC[C@H]1CCCO1 853f0b635f936733b4ad9f22b8c231e9 [1,0,0,1,0,0|2,0,0]=4 14184 B9R1.12 ICCNC1CCCC1 19ea301c24e23b4e61e0ae848fc57619 [1,0,0,1,0,0|2,0,0]=4 14185 B9R1.12 N#CCOC1CCCC1 597d114ba6fc77410ee8043a322c52e4 [1,0,0,1,0,0|1,0,1]=4 14186 B9R1.12 O=CCOC1CCCC1 a6adf3d3a9898d822d20d244584a5d22 [1,0,0,1,0,0|1,0,1]=4 14187 B9R1.12 OCCNC1CCCC1 9d5f875d5eb73651d88d7104c6380a67 [1,0,0,1,0,0|2,0,0]=4 14188 B9R1.12 OCNCC1CCCC1 63e67e159d02f35a31c5acd4ee272edf [1,0,0,1,0,0|2,0,0]=4 14189 B9R1.12 OCNCC1CCCO1 7c0145316512c0419865b607461c30ec [1,0,0,1,0,0|2,0,0]=4 14190 B9R1.12 OCNC[C@@H]1CCCO1 31a00fae912ba8548490b36aab3d2de9 [1,0,0,1,0,0|2,0,0]=4 14191 B9R1.12 OCNC[C@H]1CCCO1 a07951c9126dda0c80fe24218d274d55 [1,0,0,1,0,0|2,0,0]=4 14192 B9R1.12 SCCNC1CCCC1 e2eae66ddbb4a3e20964edeb91df585c [1,0,0,1,0,0|2,0,0]=4 14193 B9R1.12 SCCOC1CCCC1 ce0001e3012cc122d56bcdd753ee7ed0 [1,0,0,1,0,0|1,0,0]=3 14194 B9R1.12 SCCOC1CCCO1 8dbb3fe838b96ce29ae716c47c93ca97 [1,0,0,1,0,0|2,0,0]=4 14195 B9R1.12 SCCOC1CCOC1 7f740465665f20b0792a792466876479 [1,0,0,1,0,0|2,0,0]=4 14196 B9R1.12 SCCOC1CCSC1 c9e1b9a7688f8cb2cacccbe59a226041 [1,0,0,1,0,0|2,0,0]=4 14197 B9R1.12 SCCO[C@@H]1CCOC1 adddeeee94ef4cca38e1010afa86a3d5 [1,0,0,1,0,0|2,0,0]=4 14198 B9R1.12 SCCO[C@@H]1CCSC1 368fa5abed56049a6b7218bcf19d6c94 [1,0,0,1,0,0|2,0,0]=4 14199 B9R1.12 SCCO[C@H]1CCOC1 5f532b6a8a75a3f549ab4d207d2f66e1 [1,0,0,1,0,0|2,0,0]=4 14200 B9R1.12 SCCO[C@H]1CCSC1 ef68dd8bb9cb76a99548e22f0083753d [1,0,0,1,0,0|2,0,0]=4 14201 B9R1.14 CCC1CCCN1CC c1e0af4df28c9d45887eabd6c6ae8592 [1,0,0,1,0,0|1,0,0]=3 14202 B9R1.14 CCC1CCCN1CF 385e79d6466f62510ea4063bcf54b747 [1,0,0,1,0,0|2,0,0]=4 14203 B9R1.14 CCC1CCCN1CO c6b0552297ecd81b340673988242e49e [1,0,0,1,0,0|2,0,0]=4 14204 B9R1.14 CCN1CCCC1CO 4cc70a524b6a49ae6ff776db26f663d6 [1,0,0,1,0,0|2,0,0]=4 14205 B9R1.14 CCN1CCCC1OC 9b7034b2ef4a9a1e58e21607d3078475 [1,0,0,1,0,0|2,0,0]=4 14206 B9R1.14 CCN1CCC[C@@H]1CF db8891b9fa42c2d7590f7d287c4f54ce [1,0,0,1,0,0|2,0,0]=4 14207 B9R1.14 CCN1CCC[C@@H]1CO 06f5f2fca38eb9626faec3727a8f59e6 [1,0,0,1,0,0|2,0,0]=4 14208 B9R1.14 CCN1CCC[C@H]1CF cc2d3ec5216c037143c59acbd05341db [1,0,0,1,0,0|2,0,0]=4 14209 B9R1.14 CCN1CCC[C@H]1CO e5330ba4d388a8e39b15a149c876b607 [1,0,0,1,0,0|2,0,0]=4 14210 B9R1.14 CC[C@@H]1CCCN1CC 2ed4b1b5dcff54988a458daa323d3107 [1,0,0,1,0,0|1,0,0]=3 14211 B9R1.14 CC[C@@H]1CCCN1CF 4ad55d995c181345ed4cce2b35ed252b [1,0,0,1,0,0|2,0,0]=4 14212 B9R1.14 CC[C@@H]1CCCN1CO 79102ed9add4e6c642219a59503e87a6 [1,0,0,1,0,0|2,0,0]=4 14213 B9R1.15 CC1CCCCN1CF d88c0fc977e244cef0165c65eaf60df6 [1,0,0,1,0,0|2,0,0]=4 14214 B9R1.15 CC1CCCCN1CO 51fa6066fe243cadf796064968abed1d [1,0,0,1,0,0|2,0,0]=4 14215 B9R1.15 CC1COCCN1CF 401bd486c04b9a07bbe49b4540096330 [1,0,0,1,0,0|2,0,0]=4 14216 B9R1.15 CC1COCCN1CO 705303c7f5b77544a5d6b874419dd2f3 [1,0,0,1,0,0|2,0,0]=4 14217 B9R1.15 CCN1CCCCC1C 28e743f092b5d55e839b70e50dc82b80 [1,0,0,1,0,0|1,0,0]=3 14218 B9R1.15 CCN1CCCC[C@@H]1C d0a42fe80f49390641bb4a8e5e43e1b0 [1,0,0,1,0,0|1,0,0]=3 14219 B9R1.15 CCN1CCCC[C@H]1C 61ad9d261f1361a702e2f429d28a7219 [1,0,0,1,0,0|1,0,0]=3 14220 B9R1.15 CCN1CCOCC1C d988f162f59d8d529a05d21c4fa9e52e [1,0,0,1,0,0|1,0,0]=3 14221 B9R1.15 CCN1CCOC[C@@H]1C b796884dca54268fe3558fca50be7fce [1,0,0,1,0,0|1,0,0]=3 14222 B9R1.15 CCN1CCOC[C@H]1C b06b9b18794e3a242396ddab5337643c [1,0,0,1,0,0|1,0,0]=3 14223 B9R1.15 C[C@@H]1CCCCN1CF f954ea957f61bd82bd8819d1554013e8 [1,0,0,1,0,0|2,0,0]=4 14224 B9R1.15 C[C@@H]1CCCCN1CO 48a916b223b43cd97604cd793c27c7ee [1,0,0,1,0,0|2,0,0]=4 14225 B9R1.15 C[C@@H]1COCCN1CF 9c39bfec5c926b2ec842e40e26f0d812 [1,0,0,1,0,0|2,0,0]=4 14226 B9R1.15 C[C@@H]1COCCN1CO cc00a904ba5929613dd582b457b98630 [1,0,0,1,0,0|2,0,0]=4 14227 B9R1.15 C[C@H]1CCCCN1CF 4b526ffb905b85ad6875d291622a9b36 [1,0,0,1,0,0|2,0,0]=4 14228 B9R1.15 C[C@H]1CCCCN1CO c9f51543a38eb85e2bdab1d085a77a87 [1,0,0,1,0,0|2,0,0]=4 14229 B9R1.15 C[C@H]1COCCN1CF bfb8a48aab5613f75bb3a939e4ce04c1 [1,0,0,1,0,0|2,0,0]=4 14230 B9R1.15 C[C@H]1COCCN1CO baf0a3d72ae51972944f2afc0599cf12 [1,0,0,1,0,0|2,0,0]=4 14231 B9R1.16 C#CCOCC1CC1C 16b56f930ee0928e4f2eb5620d5865eb [1,0,0,1,0,0|0,0,2]=4 14232 B9R1.16 C#CCOC[C@@H]1C[C@@H]1C fa789283ff820bb3a8a2b7eba4e44199 [1,0,0,1,0,0|0,0,2]=4 14233 B9R1.16 C#CCOC[C@@H]1C[C@H]1C f373948c6c33b257ccae9e81190f890e [1,0,0,1,0,0|0,0,2]=4 14234 B9R1.16 C#CCOC[C@H]1C[C@@H]1C 2e1f85bbcedd254cb251b00254365bda [1,0,0,1,0,0|0,0,2]=4 14235 B9R1.16 C=C1CC1COCCC dbf7f65a57254b2e5c70dceecfec1a08 [1,0,0,1,0,0|0,0,2]=4 14236 B9R1.16 C=CCOCC1CC1C 647676f58a9166a3b1d49e87f83fd548 [1,0,0,1,0,0|0,0,2]=4 14237 B9R1.16 C=CCOC[C@@H]1C[C@@H]1C f69e8d4df7003fd1349e7e58d7969c45 [1,0,0,1,0,0|0,0,2]=4 14238 B9R1.16 C=CCOC[C@@H]1C[C@H]1C abf188b83ca4f21c698711925d337650 [1,0,0,1,0,0|0,0,2]=4 14239 B9R1.16 C=CCOC[C@H]1C[C@@H]1C eea92b22b51f725ae81f9a25c2a44125 [1,0,0,1,0,0|0,0,2]=4 14240 B9R1.16 CC1CC1COCC#N c8a955f90c82cc8638cd4125a87c11a5 [1,0,0,1,0,0|1,0,1]=4 14241 B9R1.16 CC1CC1COCC=O e38c4912a5bd244cfef6cdfcd630eadf [1,0,0,1,0,0|1,0,1]=4 14242 B9R1.16 CC1CC1COCCF 266fe15c06064606cbd167048212dedb [1,0,0,1,0,0|1,0,0]=3 14243 B9R1.16 CC1CC1COCCS 2b148c50b54d5a87491df543eeaa7639 [1,0,0,1,0,0|1,0,0]=3 14244 B9R1.16 CC1CC1NCCCF 9ca80e210e88dea814df8fc7a0db54d3 [1,0,0,1,0,0|2,0,0]=4 14245 B9R1.16 CC1CC1NCCCO d8cc7bd276ec3b4c8d2a48d69b32c773 [1,0,0,1,0,0|2,0,0]=4 14246 B9R1.16 CC1CC1NCCCS c2202d9abd5c52aa424081dad945c990 [1,0,0,1,0,0|2,0,0]=4 14247 B9R1.16 CCCCNC1CC1C a9f119cd62245c49084df191cf276a31 [1,0,0,1,0,0|1,0,0]=3 14248 B9R1.16 CCCCN[C@@H]1C[C@H]1F 2aebb5e1c982d5c8d293c1bfda14509f [1,0,0,1,0,0|2,0,0]=4 14249 B9R1.16 CCCCN[C@H]1C[C@@H]1F bfe1bd0d6ae8ac979141712cd833b460 [1,0,0,1,0,0|2,0,0]=4 14250 B9R1.16 CCCCN[C@H]1C[C@H]1F 5a5391ab3b60bef6b1b57591c4474e52 [1,0,0,1,0,0|2,0,0]=4 14251 B9R1.16 CCCOCC1CC1C c479ea01ec45b145ea97e5b216b7a88d [1,0,0,1,0,0|0,0,0]=2 14252 B9R1.16 CCCOC[C@@H]1C[C@@H]1C bdf6ceafbda00ae5a4903064a4fcd53e [1,0,0,1,0,0|0,0,0]=2 14253 B9R1.16 CCCOC[C@@H]1C[C@@H]1F d132004181c7bdb29bc1dde7e4268e55 [1,0,0,1,0,0|1,0,0]=3 14254 B9R1.16 CCCOC[C@@H]1C[C@H]1C dadf59e50fe3f803829c2afc85967616 [1,0,0,1,0,0|0,0,0]=2 14255 B9R1.16 CCCOC[C@@H]1C[C@H]1F fec88380b851024ba4b85a3b2e88229b [1,0,0,1,0,0|1,0,0]=3 14256 B9R1.16 CCCOC[C@H]1C[C@@H]1C 546df66a4867dd12875fd17718577b41 [1,0,0,1,0,0|0,0,0]=2 14257 B9R1.16 CCCOC[C@H]1C[C@@H]1F 5379246ca5d77ffb70f6307af1871576 [1,0,0,1,0,0|1,0,0]=3 14258 B9R1.16 CCCOC[C@H]1C[C@H]1F 395e27386c12a30f281a5a4b9292430d [1,0,0,1,0,0|1,0,0]=3 14259 B9R1.16 CCOCNC1CC1C de51088357360e67c1a40984c1827a9b [1,0,0,1,0,0|2,0,0]=4 14260 B9R1.16 COCCNC1CC1C 133a4efb8d416044cefc3c46c11db452 [1,0,0,1,0,0|2,0,0]=4 14261 B9R1.16 COCOCC1CC1C d6b311794b4aaa0e8f8098e0bde7b46d [1,0,0,1,0,0|1,0,0]=3 14262 B9R1.16 COCOC[C@@H]1C[C@@H]1C 488c929dc0f85aee97af05ade00d245c [1,0,0,1,0,0|1,0,0]=3 14263 B9R1.16 COCOC[C@@H]1C[C@@H]1F dee3a235c81a4f59b8673544c9256479 [1,0,0,1,0,0|2,0,0]=4 14264 B9R1.16 COCOC[C@@H]1C[C@H]1C 09f772f6ea23d80f61c114b8908d42ae [1,0,0,1,0,0|1,0,0]=3 14265 B9R1.16 COCOC[C@@H]1C[C@H]1F 601e9c20fd85280665041ec3d8b76674 [1,0,0,1,0,0|2,0,0]=4 14266 B9R1.16 COCOC[C@H]1C[C@@H]1C b39a61efc2d7463fec304ea35c8bc99e [1,0,0,1,0,0|1,0,0]=3 14267 B9R1.16 COCOC[C@H]1C[C@@H]1F dbcc7d2481060e838eca870097e40ccb [1,0,0,1,0,0|2,0,0]=4 14268 B9R1.16 COCOC[C@H]1C[C@H]1F f98879d82d6f9282957b778d43e80b5d [1,0,0,1,0,0|2,0,0]=4 14269 B9R1.16 CSCCNC1CC1C dffdc83c807376401a1bc40ddab7e6a4 [1,0,0,1,0,0|2,0,0]=4 14270 B9R1.16 CSCOCC1CC1C 8ddcaa29cfd0ead351f1e2c053e5a7dc [1,0,0,1,0,0|1,0,0]=3 14271 B9R1.16 CSCOC[C@@H]1C[C@@H]1C 516a40840474d7755434351b98f6a973 [1,0,0,1,0,0|1,0,0]=3 14272 B9R1.16 CSCOC[C@@H]1C[C@@H]1F 5258f6bf10588808467a505ca0c061a2 [1,0,0,1,0,0|2,0,0]=4 14273 B9R1.16 CSCOC[C@@H]1C[C@H]1C 292706a4e7a746b04a3be1152507c69a [1,0,0,1,0,0|1,0,0]=3 14274 B9R1.16 CSCOC[C@@H]1C[C@H]1F ffc977299251c52199d7d0bc13d29e67 [1,0,0,1,0,0|2,0,0]=4 14275 B9R1.16 CSCOC[C@H]1C[C@@H]1C a57ad53e6815c11f36b689db9b0571da [1,0,0,1,0,0|1,0,0]=3 14276 B9R1.16 CSCOC[C@H]1C[C@@H]1F 2fa079192f22d77e9408a163ff6d39fd [1,0,0,1,0,0|2,0,0]=4 14277 B9R1.16 CSCOC[C@H]1C[C@H]1F 1cd5a7caf7f81e52936848c03651e36b [1,0,0,1,0,0|2,0,0]=4 14278 B9R1.16 C[C@@H]1C[C@H]1COCC#N 9ea60ea97131c526a96ba9ca56650991 [1,0,0,1,0,0|1,0,1]=4 14279 B9R1.16 C[C@@H]1C[C@H]1COCC=O 7ae74dfc03906b5b41f7f9d5bbdb763b [1,0,0,1,0,0|1,0,1]=4 14280 B9R1.16 C[C@@H]1C[C@H]1COCCF d1171789787b6cc0ed65640ea5a8d486 [1,0,0,1,0,0|1,0,0]=3 14281 B9R1.16 C[C@@H]1C[C@H]1COCCS 06c0fa3c70b7b66f49ec3a5a7a326b17 [1,0,0,1,0,0|1,0,0]=3 14282 B9R1.16 C[C@H]1C[C@@H]1COCC#N 235406fd3797df5a60cf492195d03bf6 [1,0,0,1,0,0|1,0,1]=4 14283 B9R1.16 C[C@H]1C[C@@H]1COCC=O b02f0ce03a967d9b5a7484bce5693d9b [1,0,0,1,0,0|1,0,1]=4 14284 B9R1.16 C[C@H]1C[C@@H]1COCCF 084977fd9e0f968ec75c4bff083775f5 [1,0,0,1,0,0|1,0,0]=3 14285 B9R1.16 C[C@H]1C[C@@H]1COCCS f3c942ded15db0f45b05c8d0188f32db [1,0,0,1,0,0|1,0,0]=3 14286 B9R1.16 C[C@H]1C[C@H]1COCC#N 4ad1bc5fba485544931a8a304d6f09d6 [1,0,0,1,0,0|1,0,1]=4 14287 B9R1.16 C[C@H]1C[C@H]1COCC=O c17ac892c3cf503bcc9858e0bcb45921 [1,0,0,1,0,0|1,0,1]=4 14288 B9R1.16 C[C@H]1C[C@H]1COCCF 16f379cefdb114ef65e1f531f2e8589d [1,0,0,1,0,0|1,0,0]=3 14289 B9R1.16 C[C@H]1C[C@H]1COCCS 059a57000ca7d247656e3ba4479bdc13 [1,0,0,1,0,0|1,0,0]=3 14290 B9R1.16 FCCOC[C@@H]1C[C@@H]1F b759d1b1ff4d511edba3c9f78c3da943 [1,0,0,1,0,0|2,0,0]=4 14291 B9R1.16 FCCOC[C@@H]1C[C@H]1F 905e09965131d9c4f037b82c848db077 [1,0,0,1,0,0|2,0,0]=4 14292 B9R1.16 FCCOC[C@H]1C[C@@H]1F 5eda928ca5b64a500195270379d0a685 [1,0,0,1,0,0|2,0,0]=4 14293 B9R1.16 FCCOC[C@H]1C[C@H]1F 61f6d60eb4949fb083e2032ded51bd64 [1,0,0,1,0,0|2,0,0]=4 14294 B9R1.16 F[C@@H]1C[C@@H]1COCCS 748c9070ba05e90139cc3fff16deb480 [1,0,0,1,0,0|2,0,0]=4 14295 B9R1.16 F[C@@H]1C[C@H]1COCCS edfc8046bf3f7fae222133ed1bab178d [1,0,0,1,0,0|2,0,0]=4 14296 B9R1.16 F[C@H]1C[C@@H]1COCCS 223a86b49540efd9daf10160b8fdd3f6 [1,0,0,1,0,0|2,0,0]=4 14297 B9R1.16 F[C@H]1C[C@H]1COCCS cef300bda1788b8c776f1813c5bdf6eb [1,0,0,1,0,0|2,0,0]=4 14298 B9R1.17 BrCCNCC1CCC1 c5d9b1cf80ea4b2a032edd339daeab5d [1,0,0,1,0,0|2,0,0]=4 14299 B9R1.17 C#CCCOC1CCC1 9ba58a776ae83d3d7fc7119838c2a535 [1,0,0,1,0,0|0,0,2]=4 14300 B9R1.17 C#CCOCC1CCC1 bc39f92c6df4792a47a7662ccc139a17 [1,0,0,1,0,0|0,0,2]=4 14301 B9R1.17 C/C=C/COC1CCC1 6e99de4f67d290634af940908f88ebdb [1,0,0,1,0,0|0,0,2]=4 14302 B9R1.17 C/C=C\COC1CCC1 6e8f80104dc0d1622838cbb39d9afcf5 [1,0,0,1,0,0|0,0,2]=4 14303 B9R1.17 C=CCCOC1CCC1 c328b7599efb51dd1bfb7291c6261276 [1,0,0,1,0,0|0,0,2]=4 14304 B9R1.17 C=CCOCC1CCC1 5c7cdd4f65c4652a52a56bde68d5c494 [1,0,0,1,0,0|0,0,2]=4 14305 B9R1.17 CC#CCOC1CCC1 983b757cea964e89c0c7e096ee6cd63b [1,0,0,1,0,0|0,0,2]=4 14306 B9R1.17 CC=CCOC1CCC1 e55c4a09137b63cab559305c3d0fa528 [1,0,0,1,0,0|0,0,2]=4 14307 B9R1.17 CCCCCN1CCC1 035938028a393638df89aff148721c60 [1,0,0,1,0,0|1,0,0]=3 14308 B9R1.17 CCCCNC1CCC1 5753024b42e366bf14659fd025685655 [1,0,0,1,0,0|1,0,0]=3 14309 B9R1.17 CCCCNC1COC1 be416a5e3d517550a19b07f3c7e21d96 [1,0,0,1,0,0|2,0,0]=4 14310 B9R1.17 CCCCOC1CCC1 183c0351678811d787cc2d1bcaa60b23 [1,0,0,1,0,0|0,0,0]=2 14311 B9R1.17 CCCCOC1COC1 461fd93b53e163ad4e7596590bb10356 [1,0,0,1,0,0|1,0,0]=3 14312 B9R1.17 CCCCOC1CSC1 bfd4085a205754e02760a9623d9e9ee3 [1,0,0,1,0,0|1,0,0]=3 14313 B9R1.17 CCCNCC1CCC1 c55f078a4591dc6bcef7e0f4bb7d93c0 [1,0,0,1,0,0|1,0,0]=3 14314 B9R1.17 CCCNCC1CCO1 787b259f563a64412a05f6375c510307 [1,0,0,1,0,0|2,0,0]=4 14315 B9R1.17 CCCNCC1COC1 9e70842492f5abe047d32cd9a431660c [1,0,0,1,0,0|2,0,0]=4 14316 B9R1.17 CCCNC[C@@H]1CCO1 09e702ada7d1001485e8ef84f376d413 [1,0,0,1,0,0|2,0,0]=4 14317 B9R1.17 CCCNC[C@H]1CCO1 cff33eb3b6a9e99c0c6a161e680951b7 [1,0,0,1,0,0|2,0,0]=4 14318 B9R1.17 CCCOCC1CCC1 6bc97c6b8b74b4afb6348dbcd6370478 [1,0,0,1,0,0|0,0,0]=2 14319 B9R1.17 CCCOCC1CCO1 dce9304902398e33f033a8ebfca20c53 [1,0,0,1,0,0|1,0,0]=3 14320 B9R1.17 CCCOCC1COC1 51179db10ee449120577f8bb7f6d1912 [1,0,0,1,0,0|1,0,0]=3 14321 B9R1.17 CCCOCC1CSC1 64a1c8278d20c100c180e7544e8bcc71 [1,0,0,1,0,0|1,0,0]=3 14322 B9R1.17 CCCOC[C@@H]1CCO1 c245ae24508202032a63f9f16acb84cf [1,0,0,1,0,0|1,0,0]=3 14323 B9R1.17 CCCOC[C@H]1CCO1 41d8fefb0693f7efdbac57d0fec29667 [1,0,0,1,0,0|1,0,0]=3 14324 B9R1.17 CCNCCC1CCC1 2a6d507a82730c6232a4872c109a0b5c [1,0,0,1,0,0|1,0,0]=3 14325 B9R1.17 CCNCCC1CCO1 4ae5fe85c000a9c5bb25d4ff5bb61f46 [1,0,0,1,0,0|2,0,0]=4 14326 B9R1.17 CCNCCC1COC1 fef1783a53001c5a7436fea50261b718 [1,0,0,1,0,0|2,0,0]=4 14327 B9R1.17 CCNCCN1CCC1 556e33e8ede4c0ad9da0bf6af621efac [1,0,0,1,0,0|2,0,0]=4 14328 B9R1.17 CCNCC[C@@H]1CCO1 87fce7fd72273e8060816918b85a2637 [1,0,0,1,0,0|2,0,0]=4 14329 B9R1.17 CCOCCC1CCC1 b8fb156ada576d4ff345af9850e688ed [1,0,0,1,0,0|1,0,0]=3 14330 B9R1.17 CCOCCC1CCO1 cd6091d78b963fcc0d69fc11334e4cc1 [1,0,0,1,0,0|2,0,0]=4 14331 B9R1.17 CCOCCC1COC1 2c1aa299d046f19075b4f55753eb4b56 [1,0,0,1,0,0|2,0,0]=4 14332 B9R1.17 CCOCCN1CCC1 8b221fbed4e8943c619f9360487fb6c6 [1,0,0,1,0,0|2,0,0]=4 14333 B9R1.17 CCOCC[C@@H]1CCO1 5a8cf1d590ea701c17ab71cbcce8b435 [1,0,0,1,0,0|2,0,0]=4 14334 B9R1.17 CCOCC[C@H]1CCO1 585e9080fae90924dbee753be634e6b9 [1,0,0,1,0,0|2,0,0]=4 14335 B9R1.17 CCOCNC1CCC1 4f1473619a74c9828ae72b34cf229eb0 [1,0,0,1,0,0|2,0,0]=4 14336 B9R1.17 CCOCOC1CCC1 d555f3d99e744a2e782bfe548b2aa1f6 [1,0,0,1,0,0|1,0,0]=3 14337 B9R1.17 CCOCOC1COC1 127ec08ad595e51c5a130ac4bf90e0ce [1,0,0,1,0,0|2,0,0]=4 14338 B9R1.17 CCOCOC1CSC1 eb5c064c031891b0a114ac27d367fc6e [1,0,0,1,0,0|2,0,0]=4 14339 B9R1.17 CCSCCN1CCC1 2a06e953109026885e9b61637c22755a [1,0,0,1,0,0|2,0,0]=4 14340 B9R1.17 COCCCN1CCC1 f588b6aca63e709b96869fb6f0aa7bc2 [1,0,0,1,0,0|2,0,0]=4 14341 B9R1.17 COCCNC1CCC1 9d9583ce5997bdee2104887224bb3d8d [1,0,0,1,0,0|2,0,0]=4 14342 B9R1.17 COCCOC1CCC1 714762c7a2374ffedaa6396ba07bd982 [1,0,0,1,0,0|1,0,0]=3 14343 B9R1.17 COCCOC1COC1 3639ad178856fe0b1db870d552826c41 [1,0,0,1,0,0|2,0,0]=4 14344 B9R1.17 COCCOC1CSC1 e1ff602505eb9c90db343314f67d4807 [1,0,0,1,0,0|2,0,0]=4 14345 B9R1.17 COCNCC1CCC1 d81cbd03260e96d0b41898fa81931322 [1,0,0,1,0,0|2,0,0]=4 14346 B9R1.17 COCOCC1CCC1 8b689d4795025d681e5fff3550f78a35 [1,0,0,1,0,0|1,0,0]=3 14347 B9R1.17 COCOCC1CCO1 09fd28a73ccbc8c638d6f31aa99da7ff [1,0,0,1,0,0|2,0,0]=4 14348 B9R1.17 COCOCC1COC1 a75d862fc1e97fb937b0c89f32e4bf19 [1,0,0,1,0,0|2,0,0]=4 14349 B9R1.17 COCOCC1CSC1 06c20b6484fac5220d45d9071be8c2ca [1,0,0,1,0,0|2,0,0]=4 14350 B9R1.17 COCOC[C@@H]1CCO1 d7f0f17ed91ade35d0560c1aa17c9591 [1,0,0,1,0,0|2,0,0]=4 14351 B9R1.17 COCOC[C@H]1CCO1 52148cb36fe79b54cd4adae0bdb4ff0c [1,0,0,1,0,0|2,0,0]=4 14352 B9R1.17 CSCCCN1CCC1 3c4a1344fe0b06b24fd5489b5ce3405f [1,0,0,1,0,0|2,0,0]=4 14353 B9R1.17 CSCCNC1CCC1 189fc2dffa63ba2422aa25501e65c634 [1,0,0,1,0,0|2,0,0]=4 14354 B9R1.17 CSCCOC1CCC1 ddd6e7c756d1baa703d614ee8e45fe2d [1,0,0,1,0,0|1,0,0]=3 14355 B9R1.17 CSCCOC1COC1 a43fb2989d05440d8d0821d1fc44aa9b [1,0,0,1,0,0|2,0,0]=4 14356 B9R1.17 CSCCOC1CSC1 c3990e9a4db277f5d25753d63d380ebf [1,0,0,1,0,0|2,0,0]=4 14357 B9R1.17 CSCNCC1CCC1 3c87964873476c212c51b1df4a9653a7 [1,0,0,1,0,0|2,0,0]=4 14358 B9R1.17 CSCOCC1CCC1 bedefa5460dd9daf8d601ebd120c7465 [1,0,0,1,0,0|1,0,0]=3 14359 B9R1.17 CSCOCC1CCO1 6c8e2111a3f94134e80bf8dc4d57f591 [1,0,0,1,0,0|2,0,0]=4 14360 B9R1.17 CSCOCC1COC1 a15c7dfe48d7ce79636ced6af4e6a218 [1,0,0,1,0,0|2,0,0]=4 14361 B9R1.17 CSCOCC1CSC1 e7b8e5d1abd524805beface0ae5547c2 [1,0,0,1,0,0|2,0,0]=4 14362 B9R1.17 CSCOC[C@@H]1CCO1 8deef529a0cde32bbd303d6f89fa57ab [1,0,0,1,0,0|2,0,0]=4 14363 B9R1.17 CSCOC[C@H]1CCO1 63e1bb878dc9711500979a8b17c3ea2f [1,0,0,1,0,0|2,0,0]=4 14364 B9R1.17 ClCCCNC1CCC1 5c4c7666294897f8cafd3a1d73fb8fad [1,0,0,1,0,0|2,0,0]=4 14365 B9R1.17 FCCCCN1CCC1 2240463599f5eb0155fc7405f9d8b607 [1,0,0,1,0,0|2,0,0]=4 14366 B9R1.17 FCCCNC1CCC1 80f1da3220536b2707c09d0c253405c5 [1,0,0,1,0,0|2,0,0]=4 14367 B9R1.17 FCCCOC1CCC1 340a580744ac35b9a16814a461bd6e0b [1,0,0,1,0,0|1,0,0]=3 14368 B9R1.17 FCCCOC1COC1 d36b8533b05be4a3ba7dd78d1e6a381a [1,0,0,1,0,0|2,0,0]=4 14369 B9R1.17 FCCCOC1CSC1 3f6ea7449c7d462a0b22c9db74f06e15 [1,0,0,1,0,0|2,0,0]=4 14370 B9R1.17 FCCNCC1CCC1 31c7e0f59f163fcce52b6e97b11b3c8e [1,0,0,1,0,0|2,0,0]=4 14371 B9R1.17 FCCOCC1CCC1 82bcce98f73dbc2c6d505f58542894f6 [1,0,0,1,0,0|1,0,0]=3 14372 B9R1.17 FCCOCC1CCO1 7806ad5e6ae70d13ff50ed87dc11629e [1,0,0,1,0,0|2,0,0]=4 14373 B9R1.17 FCCOCC1COC1 ff5d7772622add29a66ca72666febc06 [1,0,0,1,0,0|2,0,0]=4 14374 B9R1.17 FCCOCC1CSC1 dd906c9d4a7103de95582ef7b08481d4 [1,0,0,1,0,0|2,0,0]=4 14375 B9R1.17 FCCOC[C@@H]1CCO1 2671611904c76bc05b4fea8a35610b04 [1,0,0,1,0,0|2,0,0]=4 14376 B9R1.17 FCCOC[C@H]1CCO1 fc45e6858c3c260890fd8931dc56a63e [1,0,0,1,0,0|2,0,0]=4 14377 B9R1.17 FCNCCC1CCC1 b0c41aa4cb1598a48b45fa06a2473206 [1,0,0,1,0,0|2,0,0]=4 14378 B9R1.17 FCOCCC1CCC1 ac390425974b2cdfe56e29e455e898e6 [1,0,0,1,0,0|2,0,0]=4 14379 B9R1.17 ICCNCC1CCC1 e2b22335eb840e43e516740089bed064 [1,0,0,1,0,0|2,0,0]=4 14380 B9R1.17 N#CCCOC1CCC1 2209711d8d7d8e229a21206a21d85002 [1,0,0,1,0,0|1,0,1]=4 14381 B9R1.17 N#CCOCC1CCC1 2af39d79d0689b7748e05434f23a5795 [1,0,0,1,0,0|1,0,1]=4 14382 B9R1.17 O=CCCOC1CCC1 ca0325a8327dd5387ba03d5c4c035d7d [1,0,0,1,0,0|1,0,1]=4 14383 B9R1.17 O=CCOCC1CCC1 df39e2693a3babd07be9a7e868d03e5c [1,0,0,1,0,0|1,0,1]=4 14384 B9R1.17 OCCCCN1CCC1 ad673b251846124d682e68d41bd69794 [1,0,0,1,0,0|2,0,0]=4 14385 B9R1.17 OCCCNC1CCC1 2d0a61911a932f7b3f70f4abdaf93c51 [1,0,0,1,0,0|2,0,0]=4 14386 B9R1.17 OCCNCC1CCC1 0db2b43d5f2b6e2bb72f605ddaa5a4a3 [1,0,0,1,0,0|2,0,0]=4 14387 B9R1.17 OCNCCC1CCC1 6cb48fdafa62be8921fec5036f8c18bd [1,0,0,1,0,0|2,0,0]=4 14388 B9R1.17 SCCCNC1CCC1 f2e275defa10f9762786c6b1eafdddda [1,0,0,1,0,0|2,0,0]=4 14389 B9R1.17 SCCCOC1CCC1 50e385aa32d0cd52e1165bbaa08dedca [1,0,0,1,0,0|1,0,0]=3 14390 B9R1.17 SCCCOC1COC1 9f1f7ce30ef925530d0e93bfc1964b75 [1,0,0,1,0,0|2,0,0]=4 14391 B9R1.17 SCCCOC1CSC1 c00769cca970ff117f5eedcaa60cf8da [1,0,0,1,0,0|2,0,0]=4 14392 B9R1.17 SCCNCC1CCC1 dc7e26a62e0a22f768fbcb60469c9a75 [1,0,0,1,0,0|2,0,0]=4 14393 B9R1.17 SCCOCC1CCC1 bf6bded4786a47dd707579e4d889696b [1,0,0,1,0,0|1,0,0]=3 14394 B9R1.17 SCCOCC1CCO1 3153da5b485d0784119997884e35ce3a [1,0,0,1,0,0|2,0,0]=4 14395 B9R1.17 SCCOCC1COC1 5ee71d7e8e5f960e3860232564a9c5ab [1,0,0,1,0,0|2,0,0]=4 14396 B9R1.17 SCCOCC1CSC1 bc1a09a2a7b7b2cfea2140a45273c514 [1,0,0,1,0,0|2,0,0]=4 14397 B9R1.17 SCCOC[C@@H]1CCO1 d979bc04000d38eadddb72ca67633645 [1,0,0,1,0,0|2,0,0]=4 14398 B9R1.17 SCCOC[C@H]1CCO1 97197136988d3a4e8b7a67043ce7b1ac [1,0,0,1,0,0|2,0,0]=4 14399 B9R1.18 CCN[C@H]1C[C@@H]1COC 861d94dd2645fe0c74a317fb9f8d0fbf [1,0,0,1,0,0|2,0,0]=4 14400 B9R1.18 CCN[C@H]1C[C@H]1COC d7fd21f23497fe2567b4cb4aa20db5d4 [1,0,0,1,0,0|2,0,0]=4 14401 B9R1.20 CCCN[C@@H]1C[C@@H]1OC 825a0d4a5ca05cfeadb76c25af276c7f [1,0,0,1,0,0|2,0,0]=4 14402 B9R1.20 CCCN[C@@H]1C[C@H]1CO 01648121b5a98061b42153e4ab393cb1 [1,0,0,1,0,0|2,0,0]=4 14403 B9R1.20 CCCN[C@H]1C[C@@H]1CO a1b2b11710ee676daec5dfb5dac0dd9a [1,0,0,1,0,0|2,0,0]=4 14404 B9R1.20 CCCN[C@H]1C[C@H]1CO 4d8b1610d3004ae2b8fad1ac32f50857 [1,0,0,1,0,0|2,0,0]=4 14405 B9R1.20 CCCOC1CC1C=O 31262bf4a61a94a8c2a2cb7b4ef3e962 [1,0,0,1,0,0|1,0,1]=4 14406 B9R1.20 CCNCC1CC1CO cbd7260b3c76e2ddd15b4e5660cc138c [1,0,0,1,0,0|2,0,0]=4 14407 B9R1.33 CC1CCCC1OCF 32f68f74d298f1c114dbc7dd09935821 [1,0,0,1,0,0|2,0,0]=4 14408 B9R1.33 CC1CCCN1CCF 12b7237d6e74f93a90a7f00fa20599b9 [1,0,0,1,0,0|2,0,0]=4 14409 B9R1.33 CC1CCCN1CCO 281a8d841757602b2230f2ac436bc7ad [1,0,0,1,0,0|2,0,0]=4 14410 B9R1.33 CC1CCCN1CCS 55ded26cf38de8946ab4d87fc8bafa09 [1,0,0,1,0,0|2,0,0]=4 14411 B9R1.33 CC1COCC1OCF 3c096b732ebb8839a1937d0d4764843e [1,0,0,1,0,0|2,0,0]=4 14412 B9R1.33 CCCN1CCCC1C 195e50180963f808391ad382056319a1 [1,0,0,1,0,0|1,0,0]=3 14413 B9R1.33 CCCN1CCCC1O 896bbb6e21363ca7dd9cc7555c30bb4b [1,0,0,1,0,0|2,0,0]=4 14414 B9R1.33 CCCN1CCC[C@@H]1C b67a37eaaf46cb0a5ebdfee423e623bf [1,0,0,1,0,0|1,0,0]=3 14415 B9R1.33 CCCN1CCC[C@H]1C 560044d8f08030c58863ec3801769700 [1,0,0,1,0,0|1,0,0]=3 14416 B9R1.33 CCCN1CCSC1C ea064f2ba27cdd3274749fb2bad6042a [1,0,0,1,0,0|2,0,0]=4 14417 B9R1.33 CCNC1CCCC1O 4082360f4f038038f347b5d184fd111c [1,0,0,1,0,0|2,0,0]=4 14418 B9R1.33 CCNC1COCC1O 8a75344fee0f6d15c18b87a9ac68818b [1,0,0,1,0,0|2,0,0]=4 14419 B9R1.33 CCN[C@@H]1CCC[C@@H]1O 7fc0c82c19f54fdb7ff37f6b41c3ad62 [1,0,0,1,0,0|2,0,0]=4 14420 B9R1.33 CCN[C@@H]1CCC[C@H]1O 7200f16a31f279f976985efc0dd1963a [1,0,0,1,0,0|2,0,0]=4 14421 B9R1.33 CCN[C@@H]1COC[C@@H]1O f2cb73d810a94a519b0c613aca931e40 [1,0,0,1,0,0|2,0,0]=4 14422 B9R1.33 CCN[C@@H]1COC[C@H]1O 3d2e7b04498e79a9127ad031bd6cd585 [1,0,0,1,0,0|2,0,0]=4 14423 B9R1.33 CCN[C@H]1CCC[C@@H]1O 7e9e41c880fd9b1705872b4570e9e9a4 [1,0,0,1,0,0|2,0,0]=4 14424 B9R1.33 CCN[C@H]1CCC[C@H]1O b25a1a46741ef202e0fa8a6fbd0108ff [1,0,0,1,0,0|2,0,0]=4 14425 B9R1.33 CCN[C@H]1COC[C@@H]1O 15371f0f0a7d19cd3e10ba8becd75c88 [1,0,0,1,0,0|2,0,0]=4 14426 B9R1.33 CCN[C@H]1COC[C@H]1F f6399259b95fa36cbb2ca6abfb6c3ae4 [1,0,0,1,0,0|2,0,0]=4 14427 B9R1.33 CCN[C@H]1COC[C@H]1O e7fb4c48251b142ea94797dd89ddefcf [1,0,0,1,0,0|2,0,0]=4 14428 B9R1.33 CCOC1CCCC1C e450d37d5269371ee21c4d9099cf78f8 [1,0,0,1,0,0|1,0,0]=3 14429 B9R1.33 CCOC1COCC1C 147522ca7d24e1d1d53bf1d5d356c59c [1,0,0,1,0,0|1,0,0]=3 14430 B9R1.33 CCOC1COCC1F 1be8c95ac5203307ebfbc5cb41ddb9d9 [1,0,0,1,0,0|2,0,0]=4 14431 B9R1.33 CCO[C@@H]1CCC[C@@H]1C 48c6c8a377684215533cce2f3b7a040e [1,0,0,1,0,0|1,0,0]=3 14432 B9R1.33 CCO[C@@H]1CCC[C@H]1C 8546dfd57bc5bf5d07eccd29f6ea3a23 [1,0,0,1,0,0|1,0,0]=3 14433 B9R1.33 CCO[C@@H]1CCC[C@H]1F 72550d5d818c2295f7ce45f538a74c92 [1,0,0,1,0,0|2,0,0]=4 14434 B9R1.33 CCO[C@@H]1COC[C@@H]1C cad903376c9110d1a0e3b4b2f5442a98 [1,0,0,1,0,0|1,0,0]=3 14435 B9R1.33 CCO[C@@H]1COC[C@H]1F 9241d15680ae57002c68fda30c37c1df [1,0,0,1,0,0|2,0,0]=4 14436 B9R1.33 CCO[C@H]1CCC[C@@H]1C 572fc68e8a7c8a7220d19d5da78e401e [1,0,0,1,0,0|1,0,0]=3 14437 B9R1.33 CCO[C@H]1CCC[C@H]1C 292472170f80aa7cd37f5df4f5f5c571 [1,0,0,1,0,0|1,0,0]=3 14438 B9R1.33 CCO[C@H]1COC[C@@H]1C 8398dd22fb9a2a0e221c13d09ce3cc6f [1,0,0,1,0,0|1,0,0]=3 14439 B9R1.33 CCO[C@H]1COC[C@H]1C ad6ad00d2412a28f40d20c037f57b7f1 [1,0,0,1,0,0|1,0,0]=3 14440 B9R1.33 CCO[C@H]1COC[C@H]1F a6fc516efbab22338c5de000c15b84ca [1,0,0,1,0,0|2,0,0]=4 14441 B9R1.33 COCN1CCCC1C 2e2fa9caa80c65622db57e92a91185ed [1,0,0,1,0,0|2,0,0]=4 14442 B9R1.33 COCN1CCC[C@@H]1C 67a823fd66504e3cca4e93ae80ae1760 [1,0,0,1,0,0|2,0,0]=4 14443 B9R1.33 COCN1CCC[C@H]1C b841d9c1194ced1813dd800d8e308d6a [1,0,0,1,0,0|2,0,0]=4 14444 B9R1.33 CSCN1CCCC1C 9773c61a0fdf8f7356d24b34ba0aeb2f [1,0,0,1,0,0|2,0,0]=4 14445 B9R1.33 CSCN1CCC[C@@H]1C 28cecc7f12df04770f70483f402bcb1f [1,0,0,1,0,0|2,0,0]=4 14446 B9R1.33 CSCN1CCC[C@H]1C 603856325cce78a66ae27a8db55af2c1 [1,0,0,1,0,0|2,0,0]=4 14447 B9R1.33 C[C@@H]1CCCN1CCF ba343820014f9fee9c4f8a1673d15691 [1,0,0,1,0,0|2,0,0]=4 14448 B9R1.33 C[C@@H]1CCCN1CCO 09597fc03649e0133d260389224063ff [1,0,0,1,0,0|2,0,0]=4 14449 B9R1.33 C[C@@H]1CCCN1CCS 5f95e783328a7d9dfc390e65d01eaf3a [1,0,0,1,0,0|2,0,0]=4 14450 B9R1.33 C[C@@H]1CCC[C@@H]1OCF 22b3e84f2ed8c44061bfce0789720234 [1,0,0,1,0,0|2,0,0]=4 14451 B9R1.33 C[C@@H]1CCC[C@H]1OCF 055ee3d509f14e26b1cd85bd2abbeffb [1,0,0,1,0,0|2,0,0]=4 14452 B9R1.33 C[C@@H]1COC[C@@H]1OCF 0b5e6bee58bbf5e5566c4b8ae733f257 [1,0,0,1,0,0|2,0,0]=4 14453 B9R1.33 C[C@H]1CCCN1CCF d6e2f6e32e09d6c9d06146a526765e88 [1,0,0,1,0,0|2,0,0]=4 14454 B9R1.33 C[C@H]1CCCN1CCO d9a463a7c3fe8fd3082bc4ccbe366d3c [1,0,0,1,0,0|2,0,0]=4 14455 B9R1.33 C[C@H]1CCCN1CCS a6d3a1e77e4d3a5efdec971b928d388b [1,0,0,1,0,0|2,0,0]=4 14456 B9R1.33 C[C@H]1CCC[C@@H]1OCF 23b83a359e8c77c1ff60bdac1439e1a3 [1,0,0,1,0,0|2,0,0]=4 14457 B9R1.33 C[C@H]1CCC[C@H]1OCF 59a7f5726623d931b860afe2ddbbde2f [1,0,0,1,0,0|2,0,0]=4 14458 B9R1.33 C[C@H]1COC[C@@H]1OCF 49cc9ede3f3081384093798d4cbf38e3 [1,0,0,1,0,0|2,0,0]=4 14459 B9R1.33 C[C@H]1COC[C@H]1OCF f508ea1526c90697801b5e84cf393151 [1,0,0,1,0,0|2,0,0]=4 14460 B9R1.39 CC1OCC1OCCF 792c2ae40385fd88c31b1b288f872eea [1,0,0,1,0,0|2,0,0]=4 14461 B9R1.39 CC1OCC1OCCS e9680cc14af40f864a04450cc79bd39b [1,0,0,1,0,0|2,0,0]=4 14462 B9R1.39 CCCNC1CCC1F f940797bfde24da6869058ae90b846c0 [1,0,0,1,0,0|2,0,0]=4 14463 B9R1.39 CCCNC1CCC1O d155a733c41c62abda7d08da95cfc65c [1,0,0,1,0,0|2,0,0]=4 14464 B9R1.39 CCCNC1COC1C b1aaf2ab047435cf9a15478d5d560ad8 [1,0,0,1,0,0|2,0,0]=4 14465 B9R1.39 CCCN[C@@H]1CC[C@@H]1O 26f710b672dad38acbb559b9bae73466 [1,0,0,1,0,0|2,0,0]=4 14466 B9R1.39 CCCN[C@@H]1CC[C@H]1C c8f45cad8802a2551c2c9ee0cd091dea [1,0,0,1,0,0|1,0,0]=3 14467 B9R1.39 CCCN[C@@H]1CC[C@H]1O 1240837254956ece18ef0c124fef8aba [1,0,0,1,0,0|2,0,0]=4 14468 B9R1.39 CCCN[C@H]1CC[C@@H]1O 393ffdf10510a7842b6493a44dc8cabe [1,0,0,1,0,0|2,0,0]=4 14469 B9R1.39 CCCN[C@H]1CC[C@H]1C b137abb955ecbcaefca08fee2aa51b9c [1,0,0,1,0,0|1,0,0]=3 14470 B9R1.39 CCCN[C@H]1CC[C@H]1O 05a01537d0a8846f5484509481105bbc [1,0,0,1,0,0|2,0,0]=4 14471 B9R1.39 CCCOC1CCC1=O 6747d0d4bf3ca4d2474fd2057207f365 [1,0,0,1,0,0|1,0,1]=4 14472 B9R1.39 CCCOC1COC1C 082863f32e89201820397c080e5dbba8 [1,0,0,1,0,0|1,0,0]=3 14473 B9R1.39 CCNCC1CCN1C a96384cd7fa10b65dd71f41f74f587f2 [1,0,0,1,0,0|2,0,0]=4 14474 B9R1.39 CCOCC1CCC1F 9994a3fd455bbaa1c6e78ef99cb573e4 [1,0,0,1,0,0|2,0,0]=4 14475 B9R1.39 CCOCC1CCN1C 443076a5a5c0c92341424e44a2285954 [1,0,0,1,0,0|2,0,0]=4 14476 B9R1.39 CCOC[C@@H]1CCN1C b704fae6485fcd4e8c79279788df2d72 [1,0,0,1,0,0|2,0,0]=4 14477 B9R1.39 CCOC[C@H]1CCN1C dc420d4f2ee9d727227c6d46eb80d3eb [1,0,0,1,0,0|2,0,0]=4 14478 B9R1.39 COCN[C@@H]1CC[C@H]1C 19c0fb2707947723e432ccb381787aa0 [1,0,0,1,0,0|2,0,0]=4 14479 B9R1.39 COCN[C@H]1CC[C@H]1C 0394228cbdba638b6cc7da58290fdd36 [1,0,0,1,0,0|2,0,0]=4 14480 B9R1.39 COCOC1COC1C 653f4f02ddf33b3dd46e476d0a144699 [1,0,0,1,0,0|2,0,0]=4 14481 B9R1.39 CSCN[C@@H]1CC[C@H]1C 3cf8384fb34c3343d01431293f703541 [1,0,0,1,0,0|2,0,0]=4 14482 B9R1.39 CSCN[C@H]1CC[C@H]1C 14e3a40b0c932c1c66208dfab94745b5 [1,0,0,1,0,0|2,0,0]=4 14483 B9R1.39 CSCOC1COC1C cb05f9c80aaeb7fc960a3c63ceeef86b [1,0,0,1,0,0|2,0,0]=4 14484 B9R1.39 C[C@@H]1CC[C@@H]1NCCF 89fd5c2dffe3216934be01f30e9cbd16 [1,0,0,1,0,0|2,0,0]=4 14485 B9R1.39 C[C@@H]1CC[C@@H]1NCCO 06a8fabda842982d62baff95336c3842 [1,0,0,1,0,0|2,0,0]=4 14486 B9R1.39 C[C@@H]1CC[C@@H]1NCCS 1f79c57ecea77ce9c2581decfa360554 [1,0,0,1,0,0|2,0,0]=4 14487 B9R1.39 C[C@@H]1CC[C@H]1NCCF 69326010ef1b670c9f088649c128218a [1,0,0,1,0,0|2,0,0]=4 14488 B9R1.39 C[C@@H]1CC[C@H]1NCCO 20e40c68c6c9e73ece74b6b077aa5521 [1,0,0,1,0,0|2,0,0]=4 14489 B9R1.39 C[C@@H]1CC[C@H]1NCCS 6c9d62403e05614cf2b1aeb4423229f7 [1,0,0,1,0,0|2,0,0]=4 14490 B9R1.83 BrCCNCCC1CC1 0da3fb55213cfb08f81b0cad2a283032 [1,0,0,1,0,0|2,0,0]=4 14491 B9R1.83 C#CCCCOC1CC1 424ed4b9acf788531f0c0e01a9c561d7 [1,0,0,1,0,0|0,0,2]=4 14492 B9R1.83 C#CCCOCC1CC1 b4e2e8e5af634b1ccc64d70f0cf69053 [1,0,0,1,0,0|0,0,2]=4 14493 B9R1.83 C#CCOCCC1CC1 865f4ad6fe8e0653a758fae35f30d18f [1,0,0,1,0,0|0,0,2]=4 14494 B9R1.83 C/C=C/CCOC1CC1 f889ca5b2601f57d7b09c4f22deaad87 [1,0,0,1,0,0|0,0,2]=4 14495 B9R1.83 C/C=C/COCC1CC1 84ba4f3d699fc619e338a6373e68ca68 [1,0,0,1,0,0|0,0,2]=4 14496 B9R1.83 C/C=C\COCC1CC1 2999bbd5637ab2e784bcb55b0fa3c3ad [1,0,0,1,0,0|0,0,2]=4 14497 B9R1.83 C=CCCCOC1CC1 f50c46c5e6361c6f38ecbc945267201f [1,0,0,1,0,0|0,0,2]=4 14498 B9R1.83 C=CCCOCC1CC1 3c9b915cf00d6498b589d15c57a937be [1,0,0,1,0,0|0,0,2]=4 14499 B9R1.83 C=CCOCCC1CC1 6c68105a3b7e7c21024b8d52b38c3fcc [1,0,0,1,0,0|0,0,2]=4 14500 B9R1.83 CC#CCCOC1CC1 255ba93572150f1b0f271eb72d283126 [1,0,0,1,0,0|0,0,2]=4 14501 B9R1.83 CC#CCOCC1CC1 9a9364d36c4284a93866dc24e75012d8 [1,0,0,1,0,0|0,0,2]=4 14502 B9R1.83 CC/C=C/COC1CC1 525d315a9e849e84b4e36e46feb977a6 [1,0,0,1,0,0|0,0,2]=4 14503 B9R1.83 CC/C=C\COC1CC1 76ae3ceafffebf5641028a7eac5023b5 [1,0,0,1,0,0|0,0,2]=4 14504 B9R1.83 CC=CCOCC1CC1 d318dc70ece1ecb9bf542e9c745ab43f [1,0,0,1,0,0|0,0,2]=4 14505 B9R1.83 CCC#CCOC1CC1 3b0177c2de311e4c228d782fd35570bf [1,0,0,1,0,0|0,0,2]=4 14506 B9R1.83 CCCCCNC1CC1 182e34f01f4e93ff96a1ffe590e2e53a [1,0,0,1,0,0|1,0,0]=3 14507 B9R1.83 CCCCCOC1CC1 c05908e5db456f2ab5194641355b6a73 [1,0,0,1,0,0|0,0,0]=2 14508 B9R1.83 CCCCNCC1CC1 a48f68a9567460a31d6726709248936a [1,0,0,1,0,0|1,0,0]=3 14509 B9R1.83 CCCCOCC1CC1 159db9ea02796d0040b64f5c82f606c6 [1,0,0,1,0,0|0,0,0]=2 14510 B9R1.83 CCCNCCC1CC1 3a624658db64a1f5f7cc51abb62a5a09 [1,0,0,1,0,0|1,0,0]=3 14511 B9R1.83 CCCNCCN1CC1 58d7aff0d3cf2df8efdf80782055a9d9 [1,0,0,1,0,0|2,0,0]=4 14512 B9R1.83 CCCOCCC1CC1 a38f09be96ec1efe289ea215f61e5202 [1,0,0,1,0,0|0,0,0]=2 14513 B9R1.83 CCCOCCN1CC1 0d2af25d97c4961a4bc400478249bac1 [1,0,0,1,0,0|1,0,0]=3 14514 B9R1.83 CCNCCOC1CC1 33361d77688a7f0c196e565414a8b9c9 [1,0,0,1,0,0|1,0,0]=3 14515 B9R1.83 CCOCCCC1CC1 58903da184310c5a30f3427e9b172b7e [1,0,0,1,0,0|1,0,0]=3 14516 B9R1.83 CCOCCNC1CC1 96db8cff5af3576e4131952d3e740e3b [1,0,0,1,0,0|2,0,0]=4 14517 B9R1.83 CCOCCOC1CC1 42fef91f7edafdd5cb9fdafe43b714b8 [1,0,0,1,0,0|1,0,0]=3 14518 B9R1.83 CCOCNCC1CC1 04438077b66c37122f29dd84e3abb6d9 [1,0,0,1,0,0|2,0,0]=4 14519 B9R1.83 CCOCOCC1CC1 7e611a5c50b439412b21dd9e4d67500e [1,0,0,1,0,0|1,0,0]=3 14520 B9R1.83 CCSCCNC1CC1 e3190194db4e0f60107a4f5e92778a9f [1,0,0,1,0,0|2,0,0]=4 14521 B9R1.83 CCSCCOC1CC1 0c0b346d805d14c1207eddbc99c0f444 [1,0,0,1,0,0|1,0,0]=3 14522 B9R1.83 COCCCNC1CC1 61e0346d2aedb5376968ffa469e24fb4 [1,0,0,1,0,0|2,0,0]=4 14523 B9R1.83 COCCCOC1CC1 705ce8b98f637a601a7f909e2bb8bf18 [1,0,0,1,0,0|1,0,0]=3 14524 B9R1.83 COCCNCC1CC1 e817867eed8ab017b4ce3a432e30ee2f [1,0,0,1,0,0|2,0,0]=4 14525 B9R1.83 COCCOCC1CC1 c0b23423f684bb121df97881f90d0ff2 [1,0,0,1,0,0|1,0,0]=3 14526 B9R1.83 COCNCCC1CC1 52e892002e679fb8f1cecac3cbed406e [1,0,0,1,0,0|2,0,0]=4 14527 B9R1.83 COCOCCC1CC1 776755336f0844894f069bc96e1839b4 [1,0,0,1,0,0|1,0,0]=3 14528 B9R1.83 COCOCCN1CC1 919ef17f0d5bd29eca495e0d6a6afa21 [1,0,0,1,0,0|2,0,0]=4 14529 B9R1.83 CSCCCNC1CC1 1ef124b37b1771d13536c1b6bf79b41c [1,0,0,1,0,0|2,0,0]=4 14530 B9R1.83 CSCCCOC1CC1 e1668796184b8d9fdd57314963a83868 [1,0,0,1,0,0|1,0,0]=3 14531 B9R1.83 CSCCNCC1CC1 29d6e15dd8efe8cfbb468cde13b97308 [1,0,0,1,0,0|2,0,0]=4 14532 B9R1.83 CSCCOCC1CC1 9ad24786d6f50a50a22c586ad4ae4c1f [1,0,0,1,0,0|1,0,0]=3 14533 B9R1.83 CSCNCCC1CC1 23fd54577feb56570193b0cf54247942 [1,0,0,1,0,0|2,0,0]=4 14534 B9R1.83 CSCOCCC1CC1 23a6a6a588a734ac97ae531b8ffd7bd0 [1,0,0,1,0,0|1,0,0]=3 14535 B9R1.83 CSCOCCN1CC1 5cbe5eea91c054f37b54cc4ad7065342 [1,0,0,1,0,0|2,0,0]=4 14536 B9R1.83 ClCCCCNC1CC1 972820e6d76a502573380911256e795f [1,0,0,1,0,0|2,0,0]=4 14537 B9R1.83 ClCCCNCC1CC1 b0a542e48ba4dcc8d58b2a1c2f74d843 [1,0,0,1,0,0|2,0,0]=4 14538 B9R1.83 FCCCCNC1CC1 ed2ff121651ad1a2368d50a592868879 [1,0,0,1,0,0|2,0,0]=4 14539 B9R1.83 FCCCCOC1CC1 dd8ebe18f5f53fe4d3526349df0a3ac9 [1,0,0,1,0,0|1,0,0]=3 14540 B9R1.83 FCCCNCC1CC1 b8d88e6720a8f4a4a2efd5c38173a4ca [1,0,0,1,0,0|2,0,0]=4 14541 B9R1.83 FCCCOCC1CC1 25bc7b1ea2d13edf4caa9c8ea0915fd2 [1,0,0,1,0,0|1,0,0]=3 14542 B9R1.83 FCCNCCC1CC1 f89eea610cd2dcfc3ba9e245e54078d5 [1,0,0,1,0,0|2,0,0]=4 14543 B9R1.83 FCCOCCC1CC1 a6b822023ea7f580246931334a8efbc3 [1,0,0,1,0,0|1,0,0]=3 14544 B9R1.83 FCCOCCN1CC1 20514bf3c0df35ca49fb9aeee8cb7cea [1,0,0,1,0,0|2,0,0]=4 14545 B9R1.83 FCNCCOC1CC1 c6688e824f2ed8832364a8e49b97b040 [1,0,0,1,0,0|2,0,0]=4 14546 B9R1.83 FCOCCCC1CC1 0b8c9326c555d9697fcaddb0289edb0e [1,0,0,1,0,0|2,0,0]=4 14547 B9R1.83 FCOCCOC1CC1 5d81cead7848f2df17a50a8fad63d7ab [1,0,0,1,0,0|2,0,0]=4 14548 B9R1.83 ICCNCCC1CC1 bcf7879b65284dad9f39fbe79d41d3e3 [1,0,0,1,0,0|2,0,0]=4 14549 B9R1.83 N#CCCCOC1CC1 13737cc96c57ae295c4f4c445c74b27f [1,0,0,1,0,0|1,0,1]=4 14550 B9R1.83 N#CCCOCC1CC1 3177ad3b80c57457a0730c1e40ab7212 [1,0,0,1,0,0|1,0,1]=4 14551 B9R1.83 N#CCOCCC1CC1 3e97a0940a5f212e4aea1e41d20280dc [1,0,0,1,0,0|1,0,1]=4 14552 B9R1.83 O=CCCCOC1CC1 8c56cd950e39548ad0d9b9606b829577 [1,0,0,1,0,0|1,0,1]=4 14553 B9R1.83 O=CCCOCC1CC1 daa9b247c38693dadc6d33a20c9e023c [1,0,0,1,0,0|1,0,1]=4 14554 B9R1.83 O=CCOCCC1CC1 e95c5fc4c9f9574f689822c866eeb674 [1,0,0,1,0,0|1,0,1]=4 14555 B9R1.83 OCCCCNC1CC1 c4f4967ad469c6a279d6aa96bd53fadd [1,0,0,1,0,0|2,0,0]=4 14556 B9R1.83 OCCCNCC1CC1 40d7db90d231f4b1706e12f0cfad86e0 [1,0,0,1,0,0|2,0,0]=4 14557 B9R1.83 OCCNCCC1CC1 21febed634739e021e8829c4a7554e2e [1,0,0,1,0,0|2,0,0]=4 14558 B9R1.83 OCNCCOC1CC1 456369b5677a025114a072c9e32dc0df [1,0,0,1,0,0|2,0,0]=4 14559 B9R1.83 SCCCCNC1CC1 3431e387ca5ab10241cf6865cc637145 [1,0,0,1,0,0|2,0,0]=4 14560 B9R1.83 SCCCCOC1CC1 55cbba2b58e1b2b95945fe5c29452ae4 [1,0,0,1,0,0|1,0,0]=3 14561 B9R1.83 SCCCNCC1CC1 491ca919acdd387cb6b75f9e2951c526 [1,0,0,1,0,0|2,0,0]=4 14562 B9R1.83 SCCCOCC1CC1 de80acd598b0ab0e4f6ae9ac52b5337f [1,0,0,1,0,0|1,0,0]=3 14563 B9R1.83 SCCNCCC1CC1 9216eecf3ec31eb23dd673407029c88a [1,0,0,1,0,0|2,0,0]=4 14564 B9R1.83 SCCOCCC1CC1 0a094d3244fb51de09c4ba875a01eebc [1,0,0,1,0,0|1,0,0]=3 14565 B9R1.83 SCCOCCN1CC1 9d8c5805288a668333d2f63971e3ba16 [1,0,0,1,0,0|2,0,0]=4 14566 B9R1.89 CCN1CCCCCC1 78f85fed93dd7010f5d48b439304c97c [1,0,0,1,0,0|1,0,0]=3 14567 B9R1.89 CCN1CCCOCC1 b7637df7a376a0cc2a30d3c23838f678 [1,0,0,1,0,0|1,0,0]=3 14568 B9R1.89 FCN1CCCCCC1 60c0199684985ea88d82a5db0516e27d [1,0,0,1,0,0|2,0,0]=4 14569 B9R1.89 FCN1CCCOCC1 3c5ee395d952c7c8bca3f2bab6d60603 [1,0,0,1,0,0|2,0,0]=4 14570 B9R1.89 OCN1CCCCCC1 62c49bb1745f5c0f3dee14a3d4e5f5d5 [1,0,0,1,0,0|2,0,0]=4 14571 B9R1.89 OCN1CCCOCC1 e5da19333e435076222444f0fc992871 [1,0,0,1,0,0|2,0,0]=4 14572 B11R1.4 BrCCNCCC1CCCC1 30accee15326b546b15981755a8cbf1b [0,1,0,1,0,0|2,0,0]=4 14573 B11R1.4 BrCCNCCN1CCCC1 694c445885f141f4224f98a74f4cf624 [0,1,0,1,0,0|2,0,0]=4 14574 B11R1.4 C#CCCCNC1CCCC1 c39eeb37333017e7ad052fc3a733265f [0,1,0,1,0,0|1,0,1]=4 14575 B11R1.4 C#CCCCOC1CCCC1 844dcd8dd75875069a733c3813afce02 [0,1,0,1,0,0|0,0,1]=3 14576 B11R1.4 C#CCCCOC1CCCO1 26aa2a1103e29757604658b6878036b9 [0,1,0,1,0,0|0,0,2]=4 14577 B11R1.4 C#CCCCOC1CCOC1 9b888f8dbf1c2ae87e06d6bd9a052d39 [0,1,0,1,0,0|0,0,2]=4 14578 B11R1.4 C#CCCCOC1CCSC1 e25b1503a516821c887a7b6d648fc0c1 [0,1,0,1,0,0|0,0,2]=4 14579 B11R1.4 C#CCCCO[C@@H]1CCOC1 8d44c045e11f5ea3c582b0545ccdc34c [0,1,0,1,0,0|0,0,2]=4 14580 B11R1.4 C#CCCCO[C@@H]1CCSC1 1855f89296f084b585de2182a2d46b94 [0,1,0,1,0,0|0,0,2]=4 14581 B11R1.4 C#CCCCO[C@H]1CCOC1 253612f70ee02c205af92538c7cfa695 [0,1,0,1,0,0|0,0,2]=4 14582 B11R1.4 C#CCCCO[C@H]1CCSC1 476b1234fb3de50301482e6e2be86988 [0,1,0,1,0,0|0,0,2]=4 14583 B11R1.4 C#CCCOCC1CCCC1 a4117f365a46160024c8a44049519d32 [0,1,0,1,0,0|0,0,2]=4 14584 B11R1.4 C#CCCOCC1CCCO1 9c0e66d5c7bdbd768feef8da67c3de16 [0,1,0,1,0,0|0,0,2]=4 14585 B11R1.4 C#CCCOCC1CCCS1 ee9580c9ae84c247ce5c082f18cd3355 [0,1,0,1,0,0|0,0,2]=4 14586 B11R1.4 C#CCCOCC1CCOC1 332899f7cecda5a2fa939b4767ae9a4a [0,1,0,1,0,0|0,0,2]=4 14587 B11R1.4 C#CCCOCN1CCCC1 a6bf73908d9ced6ac21e922dca2b514e [0,1,0,1,0,0|0,0,2]=4 14588 B11R1.4 C#CCCOC[C@@H]1CCCO1 812306d800a6adce2f267984d451e804 [0,1,0,1,0,0|0,0,2]=4 14589 B11R1.4 C#CCCOC[C@@H]1CCOC1 a20fd7154f8f369476594121ef3af9c8 [0,1,0,1,0,0|0,0,2]=4 14590 B11R1.4 C#CCCOC[C@H]1CCCO1 7120cf2cdb06147be0229a3d084782ae [0,1,0,1,0,0|0,0,2]=4 14591 B11R1.4 C#CCCOC[C@H]1CCOC1 84423f20c629d7c075e63cd1bc044602 [0,1,0,1,0,0|0,0,2]=4 14592 B11R1.4 C/C=C/CCOC1CCCC1 0a6def5a8b60a42429a2046fa33bb9c0 [0,1,0,1,0,0|0,0,1]=3 14593 B11R1.4 C/C=C/CCOC1CCOC1 4543d60031d8f3acaf52279fd5a873fc [0,1,0,1,0,0|0,0,2]=4 14594 B11R1.4 C/C=C/CCO[C@@H]1CCOC1 4b363c9f7aa24c34ccd6c625869f87ba [0,1,0,1,0,0|0,0,2]=4 14595 B11R1.4 C/C=C/CCO[C@H]1CCOC1 5e1d82104b93c50492df86d75367bfa3 [0,1,0,1,0,0|0,0,2]=4 14596 B11R1.4 C/C=C/COCC1CCCC1 a109e759f4dc3df0028b516281227c4b [0,1,0,1,0,0|0,0,2]=4 14597 B11R1.4 C/C=C/COCC1CCCO1 6a0d5331bd1a0f9b0bf753e5fb13b702 [0,1,0,1,0,0|0,0,2]=4 14598 B11R1.4 C/C=C/COCC1CCCS1 6cf06f833317a921f821b35f2bdb9744 [0,1,0,1,0,0|0,0,2]=4 14599 B11R1.4 C/C=C/COCC1CCOC1 907f9302849f6aa6bc57b8b159f75cb2 [0,1,0,1,0,0|0,0,2]=4 14600 B11R1.4 C/C=C/COCN1CCCC1 27ee1ea67f44d4f8a55a83464b5f2502 [0,1,0,1,0,0|0,0,2]=4 14601 B11R1.4 C/C=C/COC[C@@H]1CCCO1 1777ddcf43fce2627f7f3c7797620c9e [0,1,0,1,0,0|0,0,2]=4 14602 B11R1.4 C/C=C/COC[C@@H]1CCOC1 21077d6870dd360311845fc93460c657 [0,1,0,1,0,0|0,0,2]=4 14603 B11R1.4 C/C=C/COC[C@H]1CCCO1 c625a6602d9e2243dd1d747509d897bc [0,1,0,1,0,0|0,0,2]=4 14604 B11R1.4 C/C=C/COC[C@H]1CCOC1 31c47aea476ece8441d01a6afebbcb95 [0,1,0,1,0,0|0,0,2]=4 14605 B11R1.4 C/C=C\COCC1CCCC1 b0c52cd416b1ccb88aeee041a9b13644 [0,1,0,1,0,0|0,0,2]=4 14606 B11R1.4 C/C=C\COCC1CCCO1 4bdffdae38377839b9babf38b80c4672 [0,1,0,1,0,0|0,0,2]=4 14607 B11R1.4 C/C=C\COCC1CCCS1 210c27e692d0b90316ea44f5db8af0eb [0,1,0,1,0,0|0,0,2]=4 14608 B11R1.4 C/C=C\COCC1CCOC1 5ebaa2616547062a905525800de2c9f9 [0,1,0,1,0,0|0,0,2]=4 14609 B11R1.4 C/C=C\COCN1CCCC1 7562eb192cd34f68e0d92dfeedae4110 [0,1,0,1,0,0|0,0,2]=4 14610 B11R1.4 C/C=C\COC[C@@H]1CCCO1 3b66c75ac0a7237e19b1d696907cb9c4 [0,1,0,1,0,0|0,0,2]=4 14611 B11R1.4 C/C=C\COC[C@@H]1CCOC1 3adaba5840c1a5d983fa6f445202db49 [0,1,0,1,0,0|0,0,2]=4 14612 B11R1.4 C/C=C\COC[C@H]1CCCO1 2ebc75f448e76e562e6a859ffd7b46cb [0,1,0,1,0,0|0,0,2]=4 14613 B11R1.4 C/C=C\COC[C@H]1CCOC1 7e95447e01fc7bc641a57d28494f0944 [0,1,0,1,0,0|0,0,2]=4 14614 B11R1.4 C=C=CCCOC1CCCC1 64b06cc4cfbe65a08cae71b191488612 [0,1,0,1,0,0|0,0,2]=4 14615 B11R1.4 C=CCCCNC1CCCC1 9ec58a12306a08d7e7f4c3a2834b5ce6 [0,1,0,1,0,0|1,0,1]=4 14616 B11R1.4 C=CCCCOC1CCCC1 cdababb0c0de65f59a1d89657c1472d7 [0,1,0,1,0,0|0,0,1]=3 14617 B11R1.4 C=CCCCOC1CCCO1 879c096c6b1241b1fbf3e1ef15e1abcb [0,1,0,1,0,0|0,0,2]=4 14618 B11R1.4 C=CCCCOC1CCOC1 3de085bfc7b353530e5fc83e77c388f8 [0,1,0,1,0,0|0,0,2]=4 14619 B11R1.4 C=CCCCOC1CCSC1 8dab9427f3c56d5600e38600cc12a0a9 [0,1,0,1,0,0|0,0,2]=4 14620 B11R1.4 C=CCCCO[C@@H]1CCOC1 9d3d73839d964c9fd73c323c89d7b827 [0,1,0,1,0,0|0,0,2]=4 14621 B11R1.4 C=CCCCO[C@@H]1CCSC1 05237fccbac0a5e4aa29cc0306394c01 [0,1,0,1,0,0|0,0,2]=4 14622 B11R1.4 C=CCCCO[C@H]1CCOC1 3c666a41f5ac4fb2a62fd956c11f6de4 [0,1,0,1,0,0|0,0,2]=4 14623 B11R1.4 C=CCCCO[C@H]1CCSC1 2701f61768ef5f8c46c4039ad7d5f7cf [0,1,0,1,0,0|0,0,2]=4 14624 B11R1.4 C=CCCOCC1CCCC1 93cf614086a4a27dd02e9a4b7eb24746 [0,1,0,1,0,0|0,0,2]=4 14625 B11R1.4 C=CCCOCC1CCCO1 e9547269df10b458973381b2a960ee1f [0,1,0,1,0,0|0,0,2]=4 14626 B11R1.4 C=CCCOCC1CCCS1 f91368861e9e04732346497d8df805e6 [0,1,0,1,0,0|0,0,2]=4 14627 B11R1.4 C=CCCOCC1CCOC1 f58ec393188667e632ff041e42be3869 [0,1,0,1,0,0|0,0,2]=4 14628 B11R1.4 C=CCCOCN1CCCC1 61d15b1dcc8523513b819eb342c6f96b [0,1,0,1,0,0|0,0,2]=4 14629 B11R1.4 C=CCCOC[C@@H]1CCCO1 963c8c78278b45ed30b73852e890f858 [0,1,0,1,0,0|0,0,2]=4 14630 B11R1.4 C=CCCOC[C@@H]1CCOC1 abc131a8093a11676a8a5f017dc0d706 [0,1,0,1,0,0|0,0,2]=4 14631 B11R1.4 C=CCCOC[C@H]1CCCO1 41380c10708d509b282942d04d9e94cb [0,1,0,1,0,0|0,0,2]=4 14632 B11R1.4 C=CCCOC[C@H]1CCOC1 c7d594544577efae2dca96ab035e8ac7 [0,1,0,1,0,0|0,0,2]=4 14633 B11R1.4 C=COCCOC1CCCC1 cf85d17d39c928e784726d3155c2232e [0,1,0,1,0,0|0,0,2]=4 14634 B11R1.4 CC#CCCOC1CCCC1 6f45ad368887cae2eeb16390feaa3133 [0,1,0,1,0,0|0,0,1]=3 14635 B11R1.4 CC#CCCOC1CCOC1 93cec036e641752a2934dac56f6759c6 [0,1,0,1,0,0|0,0,2]=4 14636 B11R1.4 CC#CCCO[C@@H]1CCOC1 73ca3f40e7335d99a381af2a9c4989d1 [0,1,0,1,0,0|0,0,2]=4 14637 B11R1.4 CC#CCCO[C@H]1CCOC1 1ce64af7dc955dc94d97362f8ed44116 [0,1,0,1,0,0|0,0,2]=4 14638 B11R1.4 CC#CCOCC1CCCC1 c01b645f7911dfbec3e1905d1ef4cbdc [0,1,0,1,0,0|0,0,2]=4 14639 B11R1.4 CC#CCOCC1CCCO1 5aa8bf1cff99afe5bed22c2d50dd8530 [0,1,0,1,0,0|0,0,2]=4 14640 B11R1.4 CC#CCOCC1CCOC1 9da0c894cefd54b32b781e68b84b562c [0,1,0,1,0,0|0,0,2]=4 14641 B11R1.4 CC#CCOC[C@@H]1CCOC1 87ddff3d9428ca637707de99ba19038e [0,1,0,1,0,0|0,0,2]=4 14642 B11R1.4 CC#CCOC[C@H]1CCOC1 7ae984e2b8a5ee3f328a50807964137b [0,1,0,1,0,0|0,0,2]=4 14643 B11R1.4 CC/C=C/CNC1CCCC1 59de48df724d02ca8afb579334e260e1 [0,1,0,1,0,0|1,0,1]=4 14644 B11R1.4 CC/C=C/COC1CCCC1 22f1a97617cf69c83dda239e5f114c0f [0,1,0,1,0,0|0,0,1]=3 14645 B11R1.4 CC/C=C/COC1CCCO1 fcb332c7f10d2c1e2c40d9dca815d1de [0,1,0,1,0,0|0,0,2]=4 14646 B11R1.4 CC/C=C/COC1CCOC1 bff6e947c983fe750b917a08b8a47daa [0,1,0,1,0,0|0,0,2]=4 14647 B11R1.4 CC/C=C/COC1CCSC1 1164d6aa7a83bda77dd0ad3770768f5b [0,1,0,1,0,0|0,0,2]=4 14648 B11R1.4 CC/C=C/CO[C@@H]1CCOC1 ded8d3db61072fefa197f2b0e1e5f805 [0,1,0,1,0,0|0,0,2]=4 14649 B11R1.4 CC/C=C/CO[C@@H]1CCSC1 0c36472fc65cec6c51a07a7cfd05b9ef [0,1,0,1,0,0|0,0,2]=4 14650 B11R1.4 CC/C=C/CO[C@H]1CCOC1 8e4dd7788cafd7ce02ffab3796aa93f2 [0,1,0,1,0,0|0,0,2]=4 14651 B11R1.4 CC/C=C/CO[C@H]1CCSC1 123a3225eb36c4686c12c6bd0f4fa58c [0,1,0,1,0,0|0,0,2]=4 14652 B11R1.4 CC/C=C\COC1CCCC1 091a743790bd53272236b12a8a7729cc [0,1,0,1,0,0|0,0,1]=3 14653 B11R1.4 CC/C=C\COC1CCOC1 d7c46bed5692e61bd15af8b9f063db5d [0,1,0,1,0,0|0,0,2]=4 14654 B11R1.4 CC/C=C\CO[C@@H]1CCOC1 c8eff08f3085495a2101a1d31e03a6cb [0,1,0,1,0,0|0,0,2]=4 14655 B11R1.4 CC/C=C\CO[C@H]1CCOC1 6dbaad82887a974f52d24aa6de3eec48 [0,1,0,1,0,0|0,0,2]=4 14656 B11R1.4 CC=CCOCC1CCCC1 8d2de38ac431ab6769c703e25b42b621 [0,1,0,1,0,0|0,0,2]=4 14657 B11R1.4 CC=CCOCC1CCCO1 a8e4c778047dd0bae7dc052c50405b67 [0,1,0,1,0,0|0,0,2]=4 14658 B11R1.4 CC=CCOCC1CCOC1 1e51287aa59c34bc144250e67b3a5cb5 [0,1,0,1,0,0|0,0,2]=4 14659 B11R1.4 CCC#CCOC1CCCC1 2c9e02883b85c4241960970989f7a878 [0,1,0,1,0,0|0,0,1]=3 14660 B11R1.4 CCC#CCOC1CCCO1 0836fc7f6c213658ffd9317d731199a3 [0,1,0,1,0,0|0,0,2]=4 14661 B11R1.4 CCC#CCOC1CCOC1 2ff71a90889b5ccd492d12fa7586a28c [0,1,0,1,0,0|0,0,2]=4 14662 B11R1.4 CCC#CCOC1CCSC1 fd40f71104b1d27cdacf9ed13f164f03 [0,1,0,1,0,0|0,0,2]=4 14663 B11R1.4 CCC#CCO[C@@H]1CCOC1 737545a22b0bf64a747ff19b80294392 [0,1,0,1,0,0|0,0,2]=4 14664 B11R1.4 CCC#CCO[C@@H]1CCSC1 1f547a4ce1306b3fc0db86b63e3c03ff [0,1,0,1,0,0|0,0,2]=4 14665 B11R1.4 CCC#CCO[C@H]1CCOC1 a36d1041508f0d361f5beaf8d8a5316d [0,1,0,1,0,0|0,0,2]=4 14666 B11R1.4 CCC#CCO[C@H]1CCSC1 cd2890eee6474a3e57efcc9400ec04ae [0,1,0,1,0,0|0,0,2]=4 14667 B11R1.4 CCCCCCN1CCSC1 eb0c3117f17c006a7af8d4d166dffdd7 [0,1,0,1,0,0|2,0,0]=4 14668 B11R1.4 CCCCCNC1CC=CC1 35207c1c42f8a1dfb820291a117aad86 [0,1,0,1,0,0|1,0,1]=4 14669 B11R1.4 CCCCCNC1CCCC1 704136233a5fd94e3ce2802197e418fd [0,1,0,1,0,0|1,0,0]=3 14670 B11R1.4 CCCCCNC1CCOC1 e71339dd13071583ab9b0dcdf5ff0b4b [0,1,0,1,0,0|1,0,0]=3 14671 B11R1.4 CCCCCNC1CCSC1 4fafda0a35f7587a6a1e753e48b39097 [0,1,0,1,0,0|1,0,0]=3 14672 B11R1.4 CCCCCN[C@@H]1CCOC1 37356bfd1f32684ece71747b1b291ee4 [0,1,0,1,0,0|1,0,0]=3 14673 B11R1.4 CCCCCN[C@H]1CCOC1 c3dbb85f252f94d587a9db597b2ebc09 [0,1,0,1,0,0|1,0,0]=3 14674 B11R1.4 CCCCCOC1C=CCC1 78fd44d64a16456a5b7d49fce9337d5f [0,1,0,1,0,0|0,0,1]=3 14675 B11R1.4 CCCCCOC1CC=CC1 8431f303e1e8c1d1fffeb44a4ea74bd7 [0,1,0,1,0,0|0,0,1]=3 14676 B11R1.4 CCCCCOC1CCCC1 ea0afe80da6af9a482238c7c0011138f [0,1,0,1,0,0|0,0,0]=2 14677 B11R1.4 CCCCCOC1CCCO1 4fcbb7f6db51b6632373c914ef3e210b [0,1,0,1,0,0|0,0,0]=2 14678 B11R1.4 CCCCCOC1CCOC1 a481691c01c064fc349d31cd7d02f028 [0,1,0,1,0,0|0,0,0]=2 14679 B11R1.4 CCCCCOC1CCSC1 beb618e344203720611c0ba6a5d8b476 [0,1,0,1,0,0|0,0,0]=2 14680 B11R1.4 CCCCCO[C@@H]1CCOC1 250c8c5128f959c88b5a701436484e72 [0,1,0,1,0,0|0,0,0]=2 14681 B11R1.4 CCCCCO[C@@H]1CCSC1 3179356a6cb04b2497eab76e2a233e4f [0,1,0,1,0,0|0,0,0]=2 14682 B11R1.4 CCCCCO[C@H]1CCOC1 d31ef9bc1e251e348a5adf1d01ef7f22 [0,1,0,1,0,0|0,0,0]=2 14683 B11R1.4 CCCCCO[C@H]1CCSC1 2ab135c42ea8f412226ce69ccba1430e [0,1,0,1,0,0|0,0,0]=2 14684 B11R1.4 CCCCNCC1CC=CC1 fd8eb4604a0e8decac1179050c711f9d [0,1,0,1,0,0|1,0,1]=4 14685 B11R1.4 CCCCNCC1CCCC1 731827e59a91924697bc94def38590cb [0,1,0,1,0,0|1,0,0]=3 14686 B11R1.4 CCCCNCC1CCCO1 5d381b028ebc3f6431ec0eb23ad96dad [0,1,0,1,0,0|1,0,0]=3 14687 B11R1.4 CCCCNCC1CCOC1 c3756bd0261cd099cdc709bdce6fa232 [0,1,0,1,0,0|1,0,0]=3 14688 B11R1.4 CCCCNC[C@@H]1CCCO1 40dda0a054e0f6d4dfaa5e4acfc3764d [0,1,0,1,0,0|1,0,0]=3 14689 B11R1.4 CCCCNC[C@@H]1CCOC1 4762caee14425a0c29233850ba87ac33 [0,1,0,1,0,0|1,0,0]=3 14690 B11R1.4 CCCCNC[C@H]1CCCO1 853017986931ae50dc82e6512a1e6233 [0,1,0,1,0,0|1,0,0]=3 14691 B11R1.4 CCCCNC[C@H]1CCOC1 0f3b777c8603da5cc88a36fa45080a8d [0,1,0,1,0,0|1,0,0]=3 14692 B11R1.4 CCCCOCC1C=CCC1 c7fe9f926bfc5b0fa72df802a4f5efc0 [0,1,0,1,0,0|0,0,1]=3 14693 B11R1.4 CCCCOCC1CC=CC1 c42d35b69f62d10ebeefba12ad7edecd [0,1,0,1,0,0|0,0,1]=3 14694 B11R1.4 CCCCOCC1CCCC1 5d7d52a8e3864fa84e0735eddb42e7ca [0,1,0,1,0,0|0,0,0]=2 14695 B11R1.4 CCCCOCC1CCCO1 0862079b3487ea18c32c1e28ed491ec7 [0,1,0,1,0,0|0,0,0]=2 14696 B11R1.4 CCCCOCC1CCCS1 f709349bfbc3122f056b12f6f926e50a [0,1,0,1,0,0|0,0,0]=2 14697 B11R1.4 CCCCOCC1CCOC1 a231891bdfe692c611bfd3b46c923cb9 [0,1,0,1,0,0|0,0,0]=2 14698 B11R1.4 CCCCOCN1CC=CC1 957208bd43a52eb2c84a816d31dd671b [0,1,0,1,0,0|0,0,2]=4 14699 B11R1.4 CCCCOCN1CCCC1 62454fe8a7305250c92ef0f5fc4286b0 [0,1,0,1,0,0|0,0,0]=2 14700 B11R1.4 CCCCOCN1CCSC1 44d5d47dab53e3d46c5e51c630fc9db0 [0,1,0,1,0,0|1,0,0]=3 14701 B11R1.4 CCCCOC[C@@H]1CCCO1 db05d7cd3184532e54140a366489df45 [0,1,0,1,0,0|0,0,0]=2 14702 B11R1.4 CCCCOC[C@@H]1CCOC1 cf4708f2d22e9c8f8e5116d3f3763262 [0,1,0,1,0,0|0,0,0]=2 14703 B11R1.4 CCCCOC[C@H]1CCCO1 e5dcfa56095b26c5f6b49e16a96ea7d8 [0,1,0,1,0,0|0,0,0]=2 14704 B11R1.4 CCCCOC[C@H]1CCOC1 3142f21fc3f6ad095f89286d3a211209 [0,1,0,1,0,0|0,0,0]=2 14705 B11R1.4 CCCNCCC1CCCC1 d5270a9a9880d18f46e53116360a36aa [0,1,0,1,0,0|1,0,0]=3 14706 B11R1.4 CCCNCCC1CCCO1 16ccc3766cb64abb779cf31870fdd1b1 [0,1,0,1,0,0|2,0,0]=4 14707 B11R1.4 CCCNCCC1CCOC1 37e83678f55c397eb6ff0e8462199507 [0,1,0,1,0,0|2,0,0]=4 14708 B11R1.4 CCCNCCN1CCCC1 07b385095b2b11a81d5b5d3ca5f4ac0a [0,1,0,1,0,0|1,0,0]=3 14709 B11R1.4 CCCOCC=C1CCCC1 911dd3e6adc1a244d1835ce8122dc14d [0,1,0,1,0,0|1,0,1]=4 14710 B11R1.4 CCCOCCC1CCCC1 787081f1fdbda17248ae4c818980f2e7 [0,1,0,1,0,0|1,0,0]=3 14711 B11R1.4 CCCOCCC1CCCO1 0bafcd2daa31466cb920a9ddb84cb9da [0,1,0,1,0,0|2,0,0]=4 14712 B11R1.4 CCCOCCC1CCOC1 1ef53bb1186d168149134661311ef251 [0,1,0,1,0,0|2,0,0]=4 14713 B11R1.4 CCCOCCN1CCCC1 b79fdf1837ad1026058dd33037798a30 [0,1,0,1,0,0|1,0,0]=3 14714 B11R1.4 CCCOCCN1CCOC1 d36752840e45fc29645c28a17ad25fc0 [0,1,0,1,0,0|2,0,0]=4 14715 B11R1.4 CCCOCCN1CCSC1 6a137cb4a2bad9efc07b79b90dc5ca07 [0,1,0,1,0,0|2,0,0]=4 14716 B11R1.4 CCNCCCC1CCCC1 bb38b69d7bc0534c0a37772ecaaa96d9 [0,1,0,1,0,0|1,0,0]=3 14717 B11R1.4 CCNCCCC1CCOC1 37915692199820a792dbd7b5d165da53 [0,1,0,1,0,0|2,0,0]=4 14718 B11R1.4 CCNCCCN1CCCC1 f07ef93ead196acba6313589e4768b51 [0,1,0,1,0,0|1,0,0]=3 14719 B11R1.4 CCNCCOC1CCCC1 31015dd28a95ca741ebad082f299e4a6 [0,1,0,1,0,0|0,0,0]=2 14720 B11R1.4 CCNCCSC1CCCC1 7bd7cd6f61669a88d47143e9e4e941b6 [0,1,0,1,0,0|0,1,0]=3 14721 B11R1.4 CCOCCCC1CCCC1 4c414e6d28e260b66dbefeb7947ff46e [0,1,0,1,0,0|1,0,0]=3 14722 B11R1.4 CCOCCCN1CCCC1 d5a21d419f9b60e46b8a87e36c97ca89 [0,1,0,1,0,0|1,0,0]=3 14723 B11R1.4 CCOCCCN1CCSC1 a8400fd9f91717dc56a091e707db8e86 [0,1,0,1,0,0|2,0,0]=4 14724 B11R1.4 CCOCCNC1CCCC1 8eb348a8e3b34f9f0dbcd564bd97f0ab [0,1,0,1,0,0|1,0,0]=3 14725 B11R1.4 CCOCCNC1CCOC1 a579dd700ab1a6a005cc8d61c907ac6a [0,1,0,1,0,0|2,0,0]=4 14726 B11R1.4 CCOCCNC1CCSC1 af8f81bd61eef0e2ed81848f3e78e71a [0,1,0,1,0,0|2,0,0]=4 14727 B11R1.4 CCOCCN[C@@H]1CCOC1 2533c710176fe8ca5ece3b393229cda4 [0,1,0,1,0,0|2,0,0]=4 14728 B11R1.4 CCOCCN[C@H]1CCOC1 0a7900adf3c6d70f60de471853c05fd0 [0,1,0,1,0,0|2,0,0]=4 14729 B11R1.4 CCOCCOC1C=CCC1 8c253a8e102ddbfd09f6375c5909cf61 [0,1,0,1,0,0|0,0,2]=4 14730 B11R1.4 CCOCCOC1CC=CC1 cc93ad52f61d05c718cb1b87d276864a [0,1,0,1,0,0|0,0,2]=4 14731 B11R1.4 CCOCCOC1CCCC1 f95ff73046d9020ce92959aeee6f70dd [0,1,0,1,0,0|0,0,0]=2 14732 B11R1.4 CCOCCOC1CCCO1 b0ad09391e5328612b72dfdb37cec42d [0,1,0,1,0,0|1,0,0]=3 14733 B11R1.4 CCOCCOC1CCOC1 8d9f28e7cb6196efb627527d2ba15938 [0,1,0,1,0,0|1,0,0]=3 14734 B11R1.4 CCOCCOC1CCSC1 649021e000ea88757f42b81ac55cc46a [0,1,0,1,0,0|1,0,0]=3 14735 B11R1.4 CCOCCO[C@@H]1CCOC1 d327ea67354f33fdb8ec0dcd89b7b3d0 [0,1,0,1,0,0|1,0,0]=3 14736 B11R1.4 CCOCCO[C@@H]1CCSC1 b3face041c6f713ec80120db0b6be294 [0,1,0,1,0,0|1,0,0]=3 14737 B11R1.4 CCOCCO[C@H]1CCOC1 593c145e03201de1e204f21c9373b528 [0,1,0,1,0,0|1,0,0]=3 14738 B11R1.4 CCOCCO[C@H]1CCSC1 ab512059bec2247b2c7a5845d283f6b7 [0,1,0,1,0,0|1,0,0]=3 14739 B11R1.4 CCOCNCC1CCCC1 18ccb1802835bcdf694559b2a102409b [0,1,0,1,0,0|2,0,0]=4 14740 B11R1.4 CCOCNCC1CCCO1 79bd9dd90ba358ccba26c11bf3fee7a9 [0,1,0,1,0,0|2,0,0]=4 14741 B11R1.4 CCOCNCC1CCOC1 893b28635c35087b6bf872581fe780ce [0,1,0,1,0,0|2,0,0]=4 14742 B11R1.4 CCOCNC[C@@H]1CCCO1 4797db02add42ddd726dd979e028b26a [0,1,0,1,0,0|2,0,0]=4 14743 B11R1.4 CCOCNC[C@@H]1CCOC1 d963c784abd4ffa32025f028b90026d9 [0,1,0,1,0,0|2,0,0]=4 14744 B11R1.4 CCOCNC[C@H]1CCCO1 d1a1cb69f076699fe55c5c2ad6c11144 [0,1,0,1,0,0|2,0,0]=4 14745 B11R1.4 CCOCNC[C@H]1CCOC1 378a967a6b669045d71d5ea24e1a0372 [0,1,0,1,0,0|2,0,0]=4 14746 B11R1.4 CCOCOCC1C=CCC1 9082aa87deb36ac08a4e0fc6e36e9ce4 [0,1,0,1,0,0|1,0,1]=4 14747 B11R1.4 CCOCOCC1CC=CC1 5a5d490fb0e025a806bda93c5fee1d3a [0,1,0,1,0,0|1,0,1]=4 14748 B11R1.4 CCOCOCC1CCCC1 f11de0c351dc85a7ba0f8d0d4e967aff [0,1,0,1,0,0|1,0,0]=3 14749 B11R1.4 CCOCOCC1CCCO1 1cb31ec50d09f82dae75ebae945630a6 [0,1,0,1,0,0|1,0,0]=3 14750 B11R1.4 CCOCOCC1CCCS1 43b71fa719ecf86c8b76ef0ec484744a [0,1,0,1,0,0|1,0,0]=3 14751 B11R1.4 CCOCOCC1CCOC1 faf13e67bdadd031bad8feb0cbfee7d3 [0,1,0,1,0,0|1,0,0]=3 14752 B11R1.4 CCOCOCN1CCCC1 a7314f23bb9b64e9af7a09c2315202e6 [0,1,0,1,0,0|1,0,0]=3 14753 B11R1.4 CCOCOC[C@@H]1CCCO1 344be4f60a898a063ae103633a8489f4 [0,1,0,1,0,0|1,0,0]=3 14754 B11R1.4 CCOCOC[C@@H]1CCOC1 b9b57f745f10f09225bd7e12f4b01037 [0,1,0,1,0,0|1,0,0]=3 14755 B11R1.4 CCOCOC[C@H]1CCCO1 72c1f519132345ca691996db4b9b9513 [0,1,0,1,0,0|1,0,0]=3 14756 B11R1.4 CCOCOC[C@H]1CCOC1 9828ad860b6c3a2c2bd7c545dbe74fcd [0,1,0,1,0,0|1,0,0]=3 14757 B11R1.4 CCSCCCN1CCSC1 6237281f1fa873a42d7395351cbe05e5 [0,1,0,1,0,0|2,0,0]=4 14758 B11R1.4 CCSCCNC1CCCC1 b17a5acbbbbe07bec66634fbfa65b135 [0,1,0,1,0,0|1,0,0]=3 14759 B11R1.4 CCSCCNC1CCOC1 2ce12397951e0302ffb55a8490cae26b [0,1,0,1,0,0|2,0,0]=4 14760 B11R1.4 CCSCCNC1CCSC1 e906cfcd0691ad99b7e7e8e17b69ff44 [0,1,0,1,0,0|2,0,0]=4 14761 B11R1.4 CCSCCN[C@@H]1CCOC1 357c549bc9d3c6af1c4cea2c30be4bdc [0,1,0,1,0,0|2,0,0]=4 14762 B11R1.4 CCSCCN[C@H]1CCOC1 1cf65c7c49612b386043196085cc4355 [0,1,0,1,0,0|2,0,0]=4 14763 B11R1.4 CCSCCOC1C=CCC1 52cd52eb29581a0e56af4f4e32dc15e5 [0,1,0,1,0,0|0,0,2]=4 14764 B11R1.4 CCSCCOC1CC=CC1 dfc6fa3716b7cf4c0c1ca591d67c0d86 [0,1,0,1,0,0|0,0,2]=4 14765 B11R1.4 CCSCCOC1CCCC1 ba0e6e69ed54c21abeada9c7fabeb9b8 [0,1,0,1,0,0|0,0,0]=2 14766 B11R1.4 CCSCCOC1CCCO1 4a9929986a979c7643bb1f72c35f2070 [0,1,0,1,0,0|1,0,0]=3 14767 B11R1.4 CCSCCOC1CCOC1 b9759a5b8256d5535d1fcecddac56935 [0,1,0,1,0,0|1,0,0]=3 14768 B11R1.4 CCSCCOC1CCSC1 c43aa5b21465cc9fcc69a0f367fd5980 [0,1,0,1,0,0|1,0,0]=3 14769 B11R1.4 CCSCCO[C@@H]1CCOC1 9c1d43c95288d8e5ac0fa81a23af8999 [0,1,0,1,0,0|1,0,0]=3 14770 B11R1.4 CCSCCO[C@@H]1CCSC1 400e750aef5e020fb06d838b2bd675fa [0,1,0,1,0,0|1,0,0]=3 14771 B11R1.4 CCSCCO[C@H]1CCOC1 8e2824f7408f7f2e522266c8f04d0312 [0,1,0,1,0,0|1,0,0]=3 14772 B11R1.4 CCSCCO[C@H]1CCSC1 7d3a955d5e52cb0d3bb3a310416e27cf [0,1,0,1,0,0|1,0,0]=3 14773 B11R1.4 COCCCCN1CCSC1 d1743eb5d78235078090f74b75abfd25 [0,1,0,1,0,0|2,0,0]=4 14774 B11R1.4 COCCCNC1CCCC1 9264939e10a2f92383bebfc542441ecc [0,1,0,1,0,0|1,0,0]=3 14775 B11R1.4 COCCCNC1CCOC1 1c19ba2a25718b1614678aafa9b16046 [0,1,0,1,0,0|2,0,0]=4 14776 B11R1.4 COCCCNC1CCSC1 ef48340415ad68184fea3d9e2be944aa [0,1,0,1,0,0|2,0,0]=4 14777 B11R1.4 COCCCN[C@@H]1CCOC1 c6719d3d37771c08017b73ce1e5e3210 [0,1,0,1,0,0|2,0,0]=4 14778 B11R1.4 COCCCN[C@H]1CCOC1 2170eab734cce51e2f73621f0481f2aa [0,1,0,1,0,0|2,0,0]=4 14779 B11R1.4 COCCCOC1C=CCC1 3ec3b970794e8c3536128851ef9d3321 [0,1,0,1,0,0|0,0,2]=4 14780 B11R1.4 COCCCOC1CC=CC1 cdba3b9489a29744f5218e8382276785 [0,1,0,1,0,0|0,0,2]=4 14781 B11R1.4 COCCCOC1CCCC1 277e9ff2e33629ac3691c3f83a4f9f29 [0,1,0,1,0,0|0,0,0]=2 14782 B11R1.4 COCCCOC1CCCO1 0ec67a812c5a891bb3b3379d52715598 [0,1,0,1,0,0|1,0,0]=3 14783 B11R1.4 COCCCOC1CCOC1 f95656512010f16402e8fcfffa965ba1 [0,1,0,1,0,0|1,0,0]=3 14784 B11R1.4 COCCCOC1CCSC1 02c473cad1afc25ef304a46a87fb6ede [0,1,0,1,0,0|1,0,0]=3 14785 B11R1.4 COCCCO[C@@H]1CCOC1 43408f8cc3fac4244f50d0499a4c9fc5 [0,1,0,1,0,0|1,0,0]=3 14786 B11R1.4 COCCCO[C@@H]1CCSC1 aba115e54b14ce598cc131c56bd2b8d6 [0,1,0,1,0,0|1,0,0]=3 14787 B11R1.4 COCCCO[C@H]1CCOC1 f5fe89a209a56983706668454e381a4d [0,1,0,1,0,0|1,0,0]=3 14788 B11R1.4 COCCCO[C@H]1CCSC1 31b195f4d5052cac153064b9c31020e6 [0,1,0,1,0,0|1,0,0]=3 14789 B11R1.4 COCCNCC1CCCC1 646ccd1b49b020636575e2265df157ef [0,1,0,1,0,0|2,0,0]=4 14790 B11R1.4 COCCNCC1CCCO1 f1c6a4f018db81c8de1ca2b8a4f58241 [0,1,0,1,0,0|2,0,0]=4 14791 B11R1.4 COCCNCC1CCOC1 1a19dae8cb6a392f0819c361ea2171e5 [0,1,0,1,0,0|2,0,0]=4 14792 B11R1.4 COCCNC[C@@H]1CCCO1 b955ea033c61ef3215b739aef9ddfbbf [0,1,0,1,0,0|2,0,0]=4 14793 B11R1.4 COCCNC[C@@H]1CCOC1 b4b58055a0bcec9cc805c5d8fd5146ea [0,1,0,1,0,0|2,0,0]=4 14794 B11R1.4 COCCNC[C@H]1CCCO1 5fef1325977611ab297316380d839ac5 [0,1,0,1,0,0|2,0,0]=4 14795 B11R1.4 COCCNC[C@H]1CCOC1 2d5566b2b798a47cd151a6f8b6c2797d [0,1,0,1,0,0|2,0,0]=4 14796 B11R1.4 COCCOCC1C=CCC1 32d6086a9ce1e675bf636a36f263ff18 [0,1,0,1,0,0|1,0,1]=4 14797 B11R1.4 COCCOCC1CC=CC1 e331f1caaf1fbf4666d962f8e5b9f900 [0,1,0,1,0,0|1,0,1]=4 14798 B11R1.4 COCCOCC1CCCC1 ae41cff914790c1527889061fc5b0d54 [0,1,0,1,0,0|1,0,0]=3 14799 B11R1.4 COCCOCC1CCCO1 1ce1879d94a2f0b74de16ab001c0394c [0,1,0,1,0,0|1,0,0]=3 14800 B11R1.4 COCCOCC1CCCS1 fb76911815bdf3e44e15b1719b2f8130 [0,1,0,1,0,0|1,0,0]=3 14801 B11R1.4 COCCOCC1CCOC1 574cb417551f55b2d684029517079307 [0,1,0,1,0,0|1,0,0]=3 14802 B11R1.4 COCCOCN1CCCC1 b4f19f6a8d91bd51e43bdb37f68ae856 [0,1,0,1,0,0|1,0,0]=3 14803 B11R1.4 COCCOCN1CCSC1 5ba3af475b8789c9f876a8df08d63f27 [0,1,0,1,0,0|2,0,0]=4 14804 B11R1.4 COCCOC[C@@H]1CCCO1 9b724152160aee4e02d4398211b1ac54 [0,1,0,1,0,0|1,0,0]=3 14805 B11R1.4 COCCOC[C@@H]1CCOC1 cbb1d336df846d9608d7c70d04b74811 [0,1,0,1,0,0|1,0,0]=3 14806 B11R1.4 COCCOC[C@H]1CCCO1 d73f3630462599e690ed2f7f5dc1ac78 [0,1,0,1,0,0|1,0,0]=3 14807 B11R1.4 COCCOC[C@H]1CCOC1 eede9d09a36c7fa733c91b4ba271918d [0,1,0,1,0,0|1,0,0]=3 14808 B11R1.4 COCNCCC1CCCC1 a21eeadc823eb042361ff27cb6d603c4 [0,1,0,1,0,0|2,0,0]=4 14809 B11R1.4 COCNCCN1CCCC1 b07ef79452ae010b39803655c4b72add [0,1,0,1,0,0|2,0,0]=4 14810 B11R1.4 COCOCCC1CCCC1 b6ffd621df0ff2b4ef40e0179ab9386a [0,1,0,1,0,0|2,0,0]=4 14811 B11R1.4 COCOCCN1CCCC1 8b36812b4f46375dbfd8e0fb70a05049 [0,1,0,1,0,0|2,0,0]=4 14812 B11R1.4 CSCCCNC1CCCC1 5f13b27cae64562a518d686148725d81 [0,1,0,1,0,0|1,0,0]=3 14813 B11R1.4 CSCCCNC1CCOC1 afb02ec4ba1177058548e3fe76e356fe [0,1,0,1,0,0|2,0,0]=4 14814 B11R1.4 CSCCCNC1CCSC1 eae42009ff3ecf5bf3ef07d4286f37cc [0,1,0,1,0,0|2,0,0]=4 14815 B11R1.4 CSCCCN[C@@H]1CCOC1 ed16a5c1bf5fffedb44717c082b6950e [0,1,0,1,0,0|2,0,0]=4 14816 B11R1.4 CSCCCN[C@H]1CCOC1 d97fea840dcd3563235586047cb9581d [0,1,0,1,0,0|2,0,0]=4 14817 B11R1.4 CSCCCOC1C=CCC1 5b8dbdceee7f4595dcf5047943f78f41 [0,1,0,1,0,0|0,0,2]=4 14818 B11R1.4 CSCCCOC1CC=CC1 8be66a7f39b16a061b0202c31dff06b7 [0,1,0,1,0,0|0,0,2]=4 14819 B11R1.4 CSCCCOC1CCCC1 1a8e5007cad603a29e2e9f13bb042a9d [0,1,0,1,0,0|0,0,0]=2 14820 B11R1.4 CSCCCOC1CCCO1 685983b7138409ff49ba1f6cc03c20f4 [0,1,0,1,0,0|1,0,0]=3 14821 B11R1.4 CSCCCOC1CCOC1 26684d34cd879392e58ba5b39238b7a1 [0,1,0,1,0,0|1,0,0]=3 14822 B11R1.4 CSCCCOC1CCSC1 a6ab90a09e41604116032fe374770afa [0,1,0,1,0,0|1,0,0]=3 14823 B11R1.4 CSCCCO[C@@H]1CCOC1 6993eb536258d8e98abc1c296a143bd1 [0,1,0,1,0,0|1,0,0]=3 14824 B11R1.4 CSCCCO[C@@H]1CCSC1 afab2ff8a81d2b9a567dad266d1a4fe8 [0,1,0,1,0,0|1,0,0]=3 14825 B11R1.4 CSCCCO[C@H]1CCOC1 b340529d7552dec2777d1108337ea3b2 [0,1,0,1,0,0|1,0,0]=3 14826 B11R1.4 CSCCCO[C@H]1CCSC1 2137a66c25e4323ee7fbf6a45946e04a [0,1,0,1,0,0|1,0,0]=3 14827 B11R1.4 CSCCNCC1CCCC1 d64fba2fb2d574accfc26b067a406537 [0,1,0,1,0,0|2,0,0]=4 14828 B11R1.4 CSCCNCC1CCCO1 5d4fc8976047398a47e72a8a5d24b98e [0,1,0,1,0,0|2,0,0]=4 14829 B11R1.4 CSCCNCC1CCOC1 b33c3b0aaa541946cbef3c62b8d21dc6 [0,1,0,1,0,0|2,0,0]=4 14830 B11R1.4 CSCCNC[C@@H]1CCCO1 472826f46b6dcbd38ae02d18d8687cae [0,1,0,1,0,0|2,0,0]=4 14831 B11R1.4 CSCCNC[C@@H]1CCOC1 af4edbe36167563d31cb39b63e21239c [0,1,0,1,0,0|2,0,0]=4 14832 B11R1.4 CSCCNC[C@H]1CCCO1 4e5a49e4fdee6f5edbd429479a83d6ff [0,1,0,1,0,0|2,0,0]=4 14833 B11R1.4 CSCCNC[C@H]1CCOC1 4228f5be73631e6af5244a0e1d50ca32 [0,1,0,1,0,0|2,0,0]=4 14834 B11R1.4 CSCCOCC1C=CCC1 fc0c9462a497496849c103c252042c44 [0,1,0,1,0,0|1,0,1]=4 14835 B11R1.4 CSCCOCC1CC=CC1 3fdb6b1725105dc88b3c2bc070d64c09 [0,1,0,1,0,0|1,0,1]=4 14836 B11R1.4 CSCCOCC1CCCC1 29a6f4c60f43d72cc4d1ff9907b37f0b [0,1,0,1,0,0|1,0,0]=3 14837 B11R1.4 CSCCOCC1CCCO1 376bd3025414ae8fdf8ccc8da9863fdd [0,1,0,1,0,0|1,0,0]=3 14838 B11R1.4 CSCCOCC1CCCS1 4b38b7a4824c954c2087211468e78a38 [0,1,0,1,0,0|1,0,0]=3 14839 B11R1.4 CSCCOCC1CCOC1 1a08d8f8cbed497e31569af6eb39a313 [0,1,0,1,0,0|1,0,0]=3 14840 B11R1.4 CSCCOCN1CCCC1 f4e8d212f3edcee19a793917923bbb56 [0,1,0,1,0,0|1,0,0]=3 14841 B11R1.4 CSCCOC[C@@H]1CCCO1 19b369ae718c5519ac5c16ffad609884 [0,1,0,1,0,0|1,0,0]=3 14842 B11R1.4 CSCCOC[C@@H]1CCOC1 5ac9529d557384e588738ab576277d04 [0,1,0,1,0,0|1,0,0]=3 14843 B11R1.4 CSCCOC[C@H]1CCCO1 6347360c5092e5837d9723eb0642ac6b [0,1,0,1,0,0|1,0,0]=3 14844 B11R1.4 CSCCOC[C@H]1CCOC1 db1549da5959b898f1629378d66c73e4 [0,1,0,1,0,0|1,0,0]=3 14845 B11R1.4 CSCNCCC1CCCC1 df07fd45f6dee1abf06be4bff6367fcb [0,1,0,1,0,0|2,0,0]=4 14846 B11R1.4 CSCNCCN1CCCC1 2bb85cb5e687b9a0eb1315101ab1b83a [0,1,0,1,0,0|2,0,0]=4 14847 B11R1.4 CSCOCCC1CCCC1 8f84deb098f375a2aa021901f794bf76 [0,1,0,1,0,0|2,0,0]=4 14848 B11R1.4 CSCOCCN1CCCC1 816ca70222dfa71354e858e8b284b5a5 [0,1,0,1,0,0|2,0,0]=4 14849 B11R1.4 ClCCCCNC1CCCC1 a8cef9b2c3ee0b8bc7cf9147dd8d40f9 [0,1,0,1,0,0|1,0,0]=3 14850 B11R1.4 ClCCCCNC1CCOC1 701bc671405ab251ce64039deaffcbfd [0,1,0,1,0,0|2,0,0]=4 14851 B11R1.4 ClCCCCN[C@@H]1CCOC1 79fe2113746d88e74cc518ba59ac47d9 [0,1,0,1,0,0|2,0,0]=4 14852 B11R1.4 ClCCCCN[C@H]1CCOC1 9a5cce9d5d6706ea14bebb96e103f304 [0,1,0,1,0,0|2,0,0]=4 14853 B11R1.4 ClCCCNCC1CCCC1 a54232385688b7a1d434a89535eecd43 [0,1,0,1,0,0|2,0,0]=4 14854 B11R1.4 ClCCCNCC1CCCO1 4e552f25ccb518e2c27aed9928a8ea28 [0,1,0,1,0,0|2,0,0]=4 14855 B11R1.4 ClCCCNCC1CCOC1 0dccb20dec284e83339b9b8ef602e306 [0,1,0,1,0,0|2,0,0]=4 14856 B11R1.4 FCCCCCN1CCSC1 e31325d290f36096d567db72ef70ea0d [0,1,0,1,0,0|2,0,0]=4 14857 B11R1.4 FCCCCNC1CCCC1 9e170bf99ba8efbe55da8b7f7364188d [0,1,0,1,0,0|1,0,0]=3 14858 B11R1.4 FCCCCNC1CCOC1 3268362efe707bcbc63110aac9f32a23 [0,1,0,1,0,0|2,0,0]=4 14859 B11R1.4 FCCCCNC1CCSC1 047f5d756ec083a049011a7da3ca01b8 [0,1,0,1,0,0|2,0,0]=4 14860 B11R1.4 FCCCCN[C@@H]1CCOC1 769f5db771bdd44b807e2589b9cf87c0 [0,1,0,1,0,0|2,0,0]=4 14861 B11R1.4 FCCCCN[C@H]1CCOC1 79a83899e5afa1f200bcc0b98a78d5f7 [0,1,0,1,0,0|2,0,0]=4 14862 B11R1.4 FCCCCOC1C=CCC1 3ada6a9e1ae70ae52661c9e99de90b7a [0,1,0,1,0,0|0,0,2]=4 14863 B11R1.4 FCCCCOC1CC=CC1 ce3a87fed2db51596fb51dd75d393dca [0,1,0,1,0,0|0,0,2]=4 14864 B11R1.4 FCCCCOC1CCCC1 8c406a6630e984b14e870de7c2077183 [0,1,0,1,0,0|0,0,0]=2 14865 B11R1.4 FCCCCOC1CCCO1 0b44e73fde881e17aaafab85f6a755f3 [0,1,0,1,0,0|1,0,0]=3 14866 B11R1.4 FCCCCOC1CCOC1 c3dc3c85ac1ece6e70e4154e4379297d [0,1,0,1,0,0|1,0,0]=3 14867 B11R1.4 FCCCCOC1CCSC1 0ecdd90f50b59427116ef408c7a71f3f [0,1,0,1,0,0|1,0,0]=3 14868 B11R1.4 FCCCCO[C@@H]1CCOC1 c2af993ac6d842e21a407cdb31f8a883 [0,1,0,1,0,0|1,0,0]=3 14869 B11R1.4 FCCCCO[C@@H]1CCSC1 b6c101e33b6fed025690e161cffc9753 [0,1,0,1,0,0|1,0,0]=3 14870 B11R1.4 FCCCCO[C@H]1CCOC1 1a3a3b9a25dad602c17ad355c86418ef [0,1,0,1,0,0|1,0,0]=3 14871 B11R1.4 FCCCCO[C@H]1CCSC1 c720699c3b53408a44c2fc2aedc40b33 [0,1,0,1,0,0|1,0,0]=3 14872 B11R1.4 FCCCNCC1CCCC1 d4ac8aeba67ec7562ddedc4d7516b0fe [0,1,0,1,0,0|2,0,0]=4 14873 B11R1.4 FCCCNCC1CCCO1 31d37c2be125a6437318c1fe81bbc145 [0,1,0,1,0,0|2,0,0]=4 14874 B11R1.4 FCCCNCC1CCOC1 554fae10b65695e5b6e522759e6a379a [0,1,0,1,0,0|2,0,0]=4 14875 B11R1.4 FCCCNC[C@@H]1CCCO1 58898ba9f8930c1a8bc01e6668ee7370 [0,1,0,1,0,0|2,0,0]=4 14876 B11R1.4 FCCCNC[C@@H]1CCOC1 1fb560aeeb8b3ddbbbfdba78415b93e1 [0,1,0,1,0,0|2,0,0]=4 14877 B11R1.4 FCCCNC[C@H]1CCCO1 52756df4534f1dec2ae6c1cfc888d278 [0,1,0,1,0,0|2,0,0]=4 14878 B11R1.4 FCCCNC[C@H]1CCOC1 9490bce6d40b0b34070d6c1793de4dc4 [0,1,0,1,0,0|2,0,0]=4 14879 B11R1.4 FCCCOCC1C=CCC1 0ebde734ba84c613ca4214d3bfd3afa4 [0,1,0,1,0,0|1,0,1]=4 14880 B11R1.4 FCCCOCC1CC=CC1 c5aef091e6afb9dc42257db385699a4a [0,1,0,1,0,0|1,0,1]=4 14881 B11R1.4 FCCCOCC1CCCC1 90db026f29caada687147a5f57cb9dee [0,1,0,1,0,0|1,0,0]=3 14882 B11R1.4 FCCCOCC1CCCO1 6d5299ad50c4f7a2ca1eb6c774102842 [0,1,0,1,0,0|1,0,0]=3 14883 B11R1.4 FCCCOCC1CCCS1 a365ca114918eb5d8675c208176b2395 [0,1,0,1,0,0|1,0,0]=3 14884 B11R1.4 FCCCOCC1CCOC1 2ae918cdccda4b6dad5271d2d85d4eea [0,1,0,1,0,0|1,0,0]=3 14885 B11R1.4 FCCCOCN1CCCC1 0c60e641427b21a9d02d778e8a889ff3 [0,1,0,1,0,0|1,0,0]=3 14886 B11R1.4 FCCCOC[C@@H]1CCCO1 444231d54a2dc4d2b3f0d3b53120761a [0,1,0,1,0,0|1,0,0]=3 14887 B11R1.4 FCCCOC[C@@H]1CCOC1 e5526c72d488b83305ec1558c7cf03f1 [0,1,0,1,0,0|1,0,0]=3 14888 B11R1.4 FCCCOC[C@H]1CCCO1 58135f1e0eccc4e94209a292b16840db [0,1,0,1,0,0|1,0,0]=3 14889 B11R1.4 FCCCOC[C@H]1CCOC1 6560f78daabd914f38c3c96030907acd [0,1,0,1,0,0|1,0,0]=3 14890 B11R1.4 FCCNCCC1CCCC1 8aa50914002333ce93b2cf834e61832a [0,1,0,1,0,0|2,0,0]=4 14891 B11R1.4 FCCNCCN1CCCC1 4c660e74cf33f7408a154167d5074244 [0,1,0,1,0,0|2,0,0]=4 14892 B11R1.4 FCCOCCC1CCCC1 6b25cc65bf6e1cfda2ab80ef9e752b38 [0,1,0,1,0,0|2,0,0]=4 14893 B11R1.4 FCCOCCN1CCCC1 ac4ab4b895e2430e48b0f8ad0db1e401 [0,1,0,1,0,0|2,0,0]=4 14894 B11R1.4 FCNCCCC1CCCC1 2fcb402bd4e77d8499306e6017d78b30 [0,1,0,1,0,0|2,0,0]=4 14895 B11R1.4 FCNCCCN1CCCC1 40510fdcff11039e46842b0b25578cc3 [0,1,0,1,0,0|2,0,0]=4 14896 B11R1.4 FCNCCOC1CCCC1 8b0172dc85950a20207375c04daeec99 [0,1,0,1,0,0|1,0,0]=3 14897 B11R1.4 FCNCCSC1CCCC1 70c7ed10dad215a0d4d44244e82f21aa [0,1,0,1,0,0|1,1,0]=4 14898 B11R1.4 FCOCCCC1CCCC1 bcfbca514c5feb4a60a5612863f82310 [0,1,0,1,0,0|2,0,0]=4 14899 B11R1.4 FCOCCCN1CCCC1 51f0ce545195c287d51ac27a150b6e08 [0,1,0,1,0,0|2,0,0]=4 14900 B11R1.4 FCOCCOC1CCCC1 52bd23e5f165cf05f5a6d472280012cd [0,1,0,1,0,0|1,0,0]=3 14901 B11R1.4 ICCNCCC1CCCC1 d57d165fba36861d7a7be2b2d7705dab [0,1,0,1,0,0|2,0,0]=4 14902 B11R1.4 ICCNCCN1CCCC1 bbb040db37f27a929f8993af31b91f75 [0,1,0,1,0,0|2,0,0]=4 14903 B11R1.4 N#CCCCNC1CCCC1 e73548439bfbadddabf1bbd570769eb4 [0,1,0,1,0,0|1,0,1]=4 14904 B11R1.4 N#CCCCOC1CCCC1 bd90bed27367c99936b5b9b051712398 [0,1,0,1,0,0|0,0,1]=3 14905 B11R1.4 N#CCCCOC1CCCO1 809ae9d59a8263d68fd423b44df517d2 [0,1,0,1,0,0|1,0,1]=4 14906 B11R1.4 N#CCCCOC1CCOC1 22aa02de654c0aea4139e7414a15281b [0,1,0,1,0,0|1,0,1]=4 14907 B11R1.4 N#CCCCOC1CCSC1 ef0c6568af2592f76874c69c492962c9 [0,1,0,1,0,0|1,0,1]=4 14908 B11R1.4 N#CCCCO[C@@H]1CCOC1 327dd22351fd356935c65890fdbe8d83 [0,1,0,1,0,0|1,0,1]=4 14909 B11R1.4 N#CCCCO[C@@H]1CCSC1 58712b04c4bc852cb7e882f37630ab75 [0,1,0,1,0,0|1,0,1]=4 14910 B11R1.4 N#CCCCO[C@H]1CCOC1 19a0424ae5d427e9dc05bdd0ed53467a [0,1,0,1,0,0|1,0,1]=4 14911 B11R1.4 N#CCCCO[C@H]1CCSC1 b7ff2edc03d8ac257bab8a8635bdab0a [0,1,0,1,0,0|1,0,1]=4 14912 B11R1.4 N#CCCOCC1CCCC1 1be38a2fdb90a82dbab4e6cdcaa4cf22 [0,1,0,1,0,0|1,0,1]=4 14913 B11R1.4 N#CCCOCC1CCCO1 1966b2c22a4877f72f04aa61af83bdc6 [0,1,0,1,0,0|1,0,1]=4 14914 B11R1.4 N#CCCOCC1CCCS1 c593d7c328bc70a636f44153af581ffb [0,1,0,1,0,0|1,0,1]=4 14915 B11R1.4 N#CCCOCC1CCOC1 89d0aec39775533081529d4a81ee6a37 [0,1,0,1,0,0|1,0,1]=4 14916 B11R1.4 N#CCCOCN1CCCC1 0bb2bd6436255093404403663f83503c [0,1,0,1,0,0|1,0,1]=4 14917 B11R1.4 N#CCCOC[C@@H]1CCCO1 5dadde89ce5b939716894f5751739432 [0,1,0,1,0,0|1,0,1]=4 14918 B11R1.4 N#CCCOC[C@@H]1CCOC1 50a7aacf22652f9393d5dcfae19e0df2 [0,1,0,1,0,0|1,0,1]=4 14919 B11R1.4 N#CCCOC[C@H]1CCCO1 d68e0e1da9436b8c09cd78d25f3b97c6 [0,1,0,1,0,0|1,0,1]=4 14920 B11R1.4 N#CCCOC[C@H]1CCOC1 287ae3c363ec4df47efac211b7064a5a [0,1,0,1,0,0|1,0,1]=4 14921 B11R1.4 O=CCCCNC1CCCC1 146f7d58f1f82ac3be89b4c9e14e4d4e [0,1,0,1,0,0|1,0,1]=4 14922 B11R1.4 O=CCCCOC1CCCC1 30de11cb0768465f80ac3530e3897548 [0,1,0,1,0,0|0,0,1]=3 14923 B11R1.4 O=CCCCOC1CCCO1 17af16840cf512d31cc35d5006b5c611 [0,1,0,1,0,0|1,0,1]=4 14924 B11R1.4 O=CCCCOC1CCOC1 cd1faeb7c6a621817c1e1d6ab8a32ece [0,1,0,1,0,0|1,0,1]=4 14925 B11R1.4 O=CCCCOC1CCSC1 e287396b5d4e8e03e800a33572bf0adb [0,1,0,1,0,0|1,0,1]=4 14926 B11R1.4 O=CCCCO[C@@H]1CCOC1 30ab94b1b6aaa0ff86930f1051f031f5 [0,1,0,1,0,0|1,0,1]=4 14927 B11R1.4 O=CCCCO[C@@H]1CCSC1 717b34edfe79c9e1514c64f511995c61 [0,1,0,1,0,0|1,0,1]=4 14928 B11R1.4 O=CCCCO[C@H]1CCOC1 b38a7fcca392e64ecad203384c22a008 [0,1,0,1,0,0|1,0,1]=4 14929 B11R1.4 O=CCCCO[C@H]1CCSC1 07786acc649a9d7112b656ba8f27b801 [0,1,0,1,0,0|1,0,1]=4 14930 B11R1.4 O=CCCOCC1CCCC1 a13116659b9882d70c06ba7e38fcaff0 [0,1,0,1,0,0|1,0,1]=4 14931 B11R1.4 O=CCCOCC1CCCO1 0112edb00192dbe10474933731c58da7 [0,1,0,1,0,0|1,0,1]=4 14932 B11R1.4 O=CCCOCC1CCCS1 0b5d6ae514468c74a61964ac592bf933 [0,1,0,1,0,0|1,0,1]=4 14933 B11R1.4 O=CCCOCC1CCOC1 c101a13754023d269d90320d77235048 [0,1,0,1,0,0|1,0,1]=4 14934 B11R1.4 O=CCCOCN1CCCC1 a5a88355b6dd1a2d855dcbafe0b51a97 [0,1,0,1,0,0|1,0,1]=4 14935 B11R1.4 O=CCCOC[C@@H]1CCCO1 dd1d276249682978d17d9dd6359625db [0,1,0,1,0,0|1,0,1]=4 14936 B11R1.4 O=CCCOC[C@@H]1CCOC1 67654f2ca0a5b0a1a9ce975ce681a374 [0,1,0,1,0,0|1,0,1]=4 14937 B11R1.4 O=CCCOC[C@H]1CCCO1 322766ff0154e17926b8ba61c199e358 [0,1,0,1,0,0|1,0,1]=4 14938 B11R1.4 O=CCCOC[C@H]1CCOC1 5bf6158ff3e7333813596987285ccb4e [0,1,0,1,0,0|1,0,1]=4 14939 B11R1.4 O=CNCCOC1CCCC1 020be10e7424ba595facc19fd92c5595 [0,1,0,1,0,0|1,0,1]=4 14940 B11R1.4 O=COCCOC1CCCC1 3e95cceb35b7df048226a855d4c63399 [0,1,0,1,0,0|1,0,1]=4 14941 B11R1.4 OCCCCCN1CCSC1 a64f2fb9c5b1d74713e4af053f39e886 [0,1,0,1,0,0|2,0,0]=4 14942 B11R1.4 OCCCCNC1CCCC1 10371cd3a6987b785ad3af8eb276fd84 [0,1,0,1,0,0|1,0,0]=3 14943 B11R1.4 OCCCCNC1CCOC1 a563a3cf9b13af310ee884037c6894a9 [0,1,0,1,0,0|2,0,0]=4 14944 B11R1.4 OCCCCNC1CCSC1 9b9737f3517e8757f55b4babaa1ae4ec [0,1,0,1,0,0|2,0,0]=4 14945 B11R1.4 OCCCCN[C@@H]1CCOC1 21468162cc7a8affb9a18068758df79d [0,1,0,1,0,0|2,0,0]=4 14946 B11R1.4 OCCCCN[C@H]1CCOC1 ba6bd25ec3bf2bfff71c84db53ea9a8f [0,1,0,1,0,0|2,0,0]=4 14947 B11R1.4 OCCCNCC1CCCC1 997e4a12a5ed94dc182d6e90055559b6 [0,1,0,1,0,0|2,0,0]=4 14948 B11R1.4 OCCCNCC1CCCO1 9b7bbcf71b32bf8227aa0c63ca744a8c [0,1,0,1,0,0|2,0,0]=4 14949 B11R1.4 OCCCNCC1CCOC1 bf38d17fe28ebfa3344b21f7edbb4453 [0,1,0,1,0,0|2,0,0]=4 14950 B11R1.4 OCCCNC[C@@H]1CCCO1 f574b2ada6ddbe87f78b330c3f10856c [0,1,0,1,0,0|2,0,0]=4 14951 B11R1.4 OCCCNC[C@@H]1CCOC1 3a4308b2d61417d2549bee6b0d81d0f7 [0,1,0,1,0,0|2,0,0]=4 14952 B11R1.4 OCCCNC[C@H]1CCCO1 19ba165d64649875173e26444a23725e [0,1,0,1,0,0|2,0,0]=4 14953 B11R1.4 OCCCNC[C@H]1CCOC1 342e9c45afde5773aabdf925e5bc886c [0,1,0,1,0,0|2,0,0]=4 14954 B11R1.4 OCCNCCC1CCCC1 4c282b62d98e70540ae289d799539185 [0,1,0,1,0,0|2,0,0]=4 14955 B11R1.4 OCCNCCN1CCCC1 cc021fa9e69de4c18a18e182b9b5110f [0,1,0,1,0,0|2,0,0]=4 14956 B11R1.4 OCNCCCC1CCCC1 b06a04ed90cc0e692125de0652125c7f [0,1,0,1,0,0|2,0,0]=4 14957 B11R1.4 OCNCCCN1CCCC1 1630b31d9e9372313da8cefd7a885c78 [0,1,0,1,0,0|2,0,0]=4 14958 B11R1.4 OCNCCOC1CCCC1 4e7736874e8a0ccbcb758a3d34b0f32c [0,1,0,1,0,0|1,0,0]=3 14959 B11R1.4 OCNCCSC1CCCC1 8a6aca83eab267266d25e63d39a76719 [0,1,0,1,0,0|1,1,0]=4 14960 B11R1.4 SCCCCNC1CCCC1 298239f11ba9217d905333cb1ed46c9f [0,1,0,1,0,0|1,0,0]=3 14961 B11R1.4 SCCCCNC1CCOC1 8a7e7855407c322981f9c4ae27dcfb0f [0,1,0,1,0,0|2,0,0]=4 14962 B11R1.4 SCCCCN[C@@H]1CCOC1 568906d79e3b1caf809c9f34cc1768b4 [0,1,0,1,0,0|2,0,0]=4 14963 B11R1.4 SCCCCN[C@H]1CCOC1 164f4c7ef9ffded4a76e2df9ca6bc2df [0,1,0,1,0,0|2,0,0]=4 14964 B11R1.4 SCCCCOC1CCCC1 5b7b863374c6c9e0ba7ae40644fa5073 [0,1,0,1,0,0|0,0,0]=2 14965 B11R1.4 SCCCCOC1CCOC1 66252efc3ce29e077a34528cf309b894 [0,1,0,1,0,0|1,0,0]=3 14966 B11R1.4 SCCCCO[C@@H]1CCOC1 2698c92c2f37abe916710c13edb56bb4 [0,1,0,1,0,0|1,0,0]=3 14967 B11R1.4 SCCCCO[C@H]1CCOC1 71159d3a8ce685b67ba99d8c985ecf04 [0,1,0,1,0,0|1,0,0]=3 14968 B11R1.4 SCCCNCC1CCCC1 6df23f46e7ac6490120c2e1fc291a6b7 [0,1,0,1,0,0|2,0,0]=4 14969 B11R1.4 SCCCNCC1CCCO1 e58940cefbbc45b26d9694745794c605 [0,1,0,1,0,0|2,0,0]=4 14970 B11R1.4 SCCCNCC1CCOC1 ee961cf8c74df0c253759ecbb805ee02 [0,1,0,1,0,0|2,0,0]=4 14971 B11R1.4 SCCCNC[C@@H]1CCCO1 3bf0c46d909e703587e42c273e8bd15c [0,1,0,1,0,0|2,0,0]=4 14972 B11R1.4 SCCCNC[C@@H]1CCOC1 fa6071b2e1db31217965b9efb63939de [0,1,0,1,0,0|2,0,0]=4 14973 B11R1.4 SCCCNC[C@H]1CCCO1 fbec23e6563db7ebded7c6f15b9f9c4a [0,1,0,1,0,0|2,0,0]=4 14974 B11R1.4 SCCCNC[C@H]1CCOC1 68f17c75ce49b245265e6db5e881fa6b [0,1,0,1,0,0|2,0,0]=4 14975 B11R1.4 SCCCOCC1C=CCC1 b58d5eb8f4723316f25fd0e10b5c2300 [0,1,0,1,0,0|1,0,1]=4 14976 B11R1.4 SCCCOCC1CC=CC1 ff1c8b00ee860e66b68aabe43c608bc8 [0,1,0,1,0,0|1,0,1]=4 14977 B11R1.4 SCCCOCC1CCCC1 ae80ab892b5a8d24d91965a9b0c43c5b [0,1,0,1,0,0|1,0,0]=3 14978 B11R1.4 SCCCOCC1CCCO1 f62114df2d600bcfc8eaf17f81c08646 [0,1,0,1,0,0|1,0,0]=3 14979 B11R1.4 SCCCOCC1CCCS1 5991c1c4c1e10b14b1fe028f166bee63 [0,1,0,1,0,0|1,0,0]=3 14980 B11R1.4 SCCCOCC1CCOC1 ea9234bcb685bfcaaa98c9b2311c7aa8 [0,1,0,1,0,0|1,0,0]=3 14981 B11R1.4 SCCCOCN1CCCC1 7032a411695d1dd99c0325c74477e000 [0,1,0,1,0,0|1,0,0]=3 14982 B11R1.4 SCCCOC[C@@H]1CCCO1 b26a6a8df291eb7ddef5d8d2c8bddb34 [0,1,0,1,0,0|1,0,0]=3 14983 B11R1.4 SCCCOC[C@@H]1CCOC1 68d8d540f87e3468dc96741cb4e9b4d5 [0,1,0,1,0,0|1,0,0]=3 14984 B11R1.4 SCCCOC[C@H]1CCCO1 a54cf16c8e034aa1b8202b30f8e4db90 [0,1,0,1,0,0|1,0,0]=3 14985 B11R1.4 SCCCOC[C@H]1CCOC1 47d892c23f82e1b99e2fc02f73da3f0b [0,1,0,1,0,0|1,0,0]=3 14986 B11R1.4 SCCNCCC1CCCC1 9e9cd4ab62074a0bf559befe96a07904 [0,1,0,1,0,0|2,0,0]=4 14987 B11R1.4 SCCNCCN1CCCC1 ecf35a36b80f650d1ca5d4677220884b [0,1,0,1,0,0|2,0,0]=4 14988 B11R1.4 SCCOCCC1CCCC1 3daae7d5edba49d47a893299a24320a6 [0,1,0,1,0,0|2,0,0]=4 14989 B11R1.4 SCCOCCN1CCCC1 892e23ef087af2b6baddd5b5b464f9a6 [0,1,0,1,0,0|2,0,0]=4 14990 B11R1.16 CCCC(C)N1CCCOC1 d79458c20166ddc172d44f9633094dfa [0,1,0,1,0,0|2,0,0]=4 14991 B11R1.16 CCCC(C)N1CCCSC1 f89989ee6a6245cb64826cd1b62c05ed [0,1,0,1,0,0|2,0,0]=4 14992 B11R1.16 CCCC(C)N1CCOCC1 d1b9b694c08aac2a5d7e6f6d5bf1554b [0,1,0,1,0,0|2,0,0]=4 14993 B11R1.16 CCCC(C)N1CCSCC1 aecb0fc2cbfec6b81a3839bdf00d85af [0,1,0,1,0,0|2,0,0]=4 14994 B11R1.16 CCCN(C)C1CCCCC1 dc9b450f6dc175a73509aa0b43ac0971 [0,1,0,1,0,0|2,0,0]=4 14995 B11R1.16 CCCN(C)C1CCCCO1 80f989d5a5f1cc885d071f0c91b2e845 [0,1,0,1,0,0|1,0,0]=3 14996 B11R1.16 CCNC(C)C1CCCCC1 42205f84b038efc889b41390cdb26d00 [0,1,0,1,0,0|2,0,0]=4 14997 B11R1.16 CCN[C@@H](C)C1CCCCC1 a62fa41007b07e12e1f09de81a7f662e [0,1,0,1,0,0|2,0,0]=4 14998 B11R1.16 CCN[C@H](C)C1CCCCC1 07e94448ebcea1175a3a78855931700a [0,1,0,1,0,0|2,0,0]=4 14999 B11R1.16 CCOC(C)C1CCCCC1 37be17fa0db3d275abb0f9a6c52c9161 [0,1,0,1,0,0|2,0,0]=4 15000 B11R1.16 CCO[C@@H](C)C1CCCCC1 df439a6e4e17aa6ad53b1ef6ed12fa04 [0,1,0,1,0,0|2,0,0]=4 15001 B11R1.16 CCO[C@H](C)C1CCCCC1 cf6c9a4c5bb690790b693154b5b07a7d [0,1,0,1,0,0|2,0,0]=4 15002 B11R1.16 CN(CCF)C1CCCCO1 13c0bf719ad9942a8c0c6bba48cb1605 [0,1,0,1,0,0|2,0,0]=4 15003 B11R1.16 CN(CCO)C1CCCCO1 406f39079a3fe4453fd8b09604a0ec90 [0,1,0,1,0,0|2,0,0]=4 15004 B11R1.24 CC1CCCN(C1)CCCF ca0bfeeac2e9688430652dfc383a004c [0,1,0,1,0,0|2,0,0]=4 15005 B11R1.24 CC1CCCN(C1)CCCO ea6ea70cd6c9ef1c17be141e7be5ef46 [0,1,0,1,0,0|2,0,0]=4 15006 B11R1.24 CC1CCCN(C1)CCCS 4f1e7f73b5e7a01650699795b0b06df5 [0,1,0,1,0,0|2,0,0]=4 15007 B11R1.24 CCCCN1CCCC(=O)C1 ab5d5aa4c692d5c921210400e463a35c [0,1,0,1,0,0|1,0,1]=4 15008 B11R1.24 CCCCN1CCCC(C1)C 816b5f6bdf97ab4163163811a8f399aa [0,1,0,1,0,0|1,0,0]=3 15009 B11R1.24 CCCCN1CCCC(C1)F 59e665c66f1819f4337a0f5a75ebfe3f [0,1,0,1,0,0|1,0,0]=3 15010 B11R1.24 CCCCN1CCCC(C1)O a13a79b54351a761d8066e1aee09f97c [0,1,0,1,0,0|1,0,0]=3 15011 B11R1.24 CCCCN1CCC[C@@H](C1)C c9eebf929a5dd2d06c8edaec1bbb5a4f [0,1,0,1,0,0|1,0,0]=3 15012 B11R1.24 CCCCN1CCC[C@@H](C1)F d2d8e1c7951dc00716fcffd2723f4aa7 [0,1,0,1,0,0|1,0,0]=3 15013 B11R1.24 CCCCN1CCC[C@@H](C1)O fbdac0af8fd499acec50df56a7ba829e [0,1,0,1,0,0|1,0,0]=3 15014 B11R1.24 CCCCN1CCC[C@H](C1)C 7b4578eae2af0c53b6409850286b2da7 [0,1,0,1,0,0|1,0,0]=3 15015 B11R1.24 CCCCN1CCC[C@H](C1)F a1d645eb1df83ff8926db9b96c5afdd8 [0,1,0,1,0,0|1,0,0]=3 15016 B11R1.24 CCCCN1CCC[C@H](C1)O e7e4354e46b2995126b20895f9fc7e1d [0,1,0,1,0,0|1,0,0]=3 15017 B11R1.24 CCCCN1CCOC(C1)C 35fe70ed6f1d4fefaa7a58679d3dd487 [0,1,0,1,0,0|2,0,0]=4 15018 B11R1.24 CCCCN1CCO[C@@H](C1)C 6cfa8890ff1d0e4b9517b4efa0e80a68 [0,1,0,1,0,0|2,0,0]=4 15019 B11R1.24 CCCCN1CCO[C@H](C1)C 1eeb36df8bde51cc4c2538c4cfa73f85 [0,1,0,1,0,0|2,0,0]=4 15020 B11R1.24 CCCNC1CCCC(C1)C a81125382d678ebc8e9ba0cefc93cb8c [0,1,0,1,0,0|2,0,0]=4 15021 B11R1.24 CCCNC1CCCC(C1)O 811c3009a0c66f0fe81892da0c1a38ef [0,1,0,1,0,0|2,0,0]=4 15022 B11R1.24 CCCN[C@@H]1CCC[C@@H](C1)O 543b4bbf09e0778921287662b7e5eb66 [0,1,0,1,0,0|2,0,0]=4 15023 B11R1.24 CCCN[C@@H]1CCC[C@H](C1)C bffb35be013df57e1b8e8d70e8190332 [0,1,0,1,0,0|2,0,0]=4 15024 B11R1.24 CCCN[C@@H]1CCC[C@H](C1)O 45e532c5c8d8a723f96a2dffa9b74026 [0,1,0,1,0,0|2,0,0]=4 15025 B11R1.24 CCCN[C@H]1CCC[C@@H](C1)O 6f989413e30ada5271f6a296ee5ea92e [0,1,0,1,0,0|2,0,0]=4 15026 B11R1.24 CCCN[C@H]1CCC[C@H](C1)O a49bc53f294c95a93797df2c4ac2155c [0,1,0,1,0,0|2,0,0]=4 15027 B11R1.24 CCCOC1CCCC(C1)C 51405fdb3ff3cc2adf7c96653b9e85c4 [0,1,0,1,0,0|2,0,0]=4 15028 B11R1.24 CCCO[C@@H]1CCC[C@@H](C1)C 6ab0223803e6a8aacec5c5bacc8264c3 [0,1,0,1,0,0|2,0,0]=4 15029 B11R1.24 CCCO[C@H]1CCC[C@@H](C1)C 6ac94074d08177dad0794af8039ca22e [0,1,0,1,0,0|2,0,0]=4 15030 B11R1.24 CCCO[C@H]1CCC[C@H](C1)C a9a57dcfebcc6debd037c1cce2e8fd54 [0,1,0,1,0,0|2,0,0]=4 15031 B11R1.24 CCNCC1CCCC(C1)C 753f4e6c16256594d8234251837360d7 [0,1,0,1,0,0|2,0,0]=4 15032 B11R1.24 CCNCC1CCCC(C1)O 59552859fe32530554ff42fbfb5e3e94 [0,1,0,1,0,0|2,0,0]=4 15033 B11R1.24 CCNCC1CN(CCO1)C 5ea0db99cd4e19911ed5240e58e5e91f [0,1,0,1,0,0|2,0,0]=4 15034 B11R1.24 CCNC[C@@H]1CN(CCO1)C f845c19de68b2eb88851b2e2febbc266 [0,1,0,1,0,0|2,0,0]=4 15035 B11R1.24 CCNC[C@H]1CCC[C@H](C1)O 86c891488cc5d20468f47dee60e90605 [0,1,0,1,0,0|2,0,0]=4 15036 B11R1.24 CCNC[C@H]1CN(CCO1)C 3f2c66d03ee57699fc35727e626b1180 [0,1,0,1,0,0|2,0,0]=4 15037 B11R1.24 CCOCC1CCCC(C1)C 1b1d1f21e9bb615a91aa888f67e7d832 [0,1,0,1,0,0|2,0,0]=4 15038 B11R1.24 CCOCC1CN(CCO1)C 92da07c5b01da265453e0eaca05f97b2 [0,1,0,1,0,0|2,0,0]=4 15039 B11R1.24 CCOCN1CCCC(C1)C a5f70af4b19c3b0b9db55b8e7fe393f5 [0,1,0,1,0,0|2,0,0]=4 15040 B11R1.24 CCOCN1CCCC(C1)F ee110ae05b6f149fd3892bda53d3283a [0,1,0,1,0,0|2,0,0]=4 15041 B11R1.24 CCOCN1CCCC(C1)O 72598ccd50ecfe65dee28ca5ccdd64f7 [0,1,0,1,0,0|2,0,0]=4 15042 B11R1.24 CCOCN1CCC[C@@H](C1)C 57ad25d27fec00512839fa4d12f3df42 [0,1,0,1,0,0|2,0,0]=4 15043 B11R1.24 CCOCN1CCC[C@@H](C1)F a03edfb02c4b6562766086c273586ba0 [0,1,0,1,0,0|2,0,0]=4 15044 B11R1.24 CCOCN1CCC[C@@H](C1)O 977c154d5dcc3cdaf544ea0464d5fc62 [0,1,0,1,0,0|2,0,0]=4 15045 B11R1.24 CCOCN1CCC[C@H](C1)C 4bda9d2ff45ddbdbc1ad52a75902e746 [0,1,0,1,0,0|2,0,0]=4 15046 B11R1.24 CCOCN1CCC[C@H](C1)F b89b9f24e04113ed34686daaae9e5b94 [0,1,0,1,0,0|2,0,0]=4 15047 B11R1.24 CCOCN1CCC[C@H](C1)O 1f49c6d474909b50593c4c9711e6a2a6 [0,1,0,1,0,0|2,0,0]=4 15048 B11R1.24 CCOC[C@@H]1CN(CCO1)C 2597b24ccb510d50da5d690676f203d6 [0,1,0,1,0,0|2,0,0]=4 15049 B11R1.24 CCOC[C@H]1CN(CCO1)C a2cf01b8c358c0ad8b1642c2dd2e13a9 [0,1,0,1,0,0|2,0,0]=4 15050 B11R1.24 COCCN1CCCC(C1)C ba74f1627ace3ed55ea1161b4bcf8d5f [0,1,0,1,0,0|2,0,0]=4 15051 B11R1.24 COCCN1CCCC(C1)F 31335681d0c7952e6996bfac01a6ecb2 [0,1,0,1,0,0|2,0,0]=4 15052 B11R1.24 COCCN1CCCC(C1)O 09f0e63b8969e8302a04de2e6646104b [0,1,0,1,0,0|2,0,0]=4 15053 B11R1.24 COCCN1CCC[C@@H](C1)C 03c0649255ebb38e2d2ee7f59b737906 [0,1,0,1,0,0|2,0,0]=4 15054 B11R1.24 COCCN1CCC[C@@H](C1)F fb7c19a999cbc08578b8c37716f6991c [0,1,0,1,0,0|2,0,0]=4 15055 B11R1.24 COCCN1CCC[C@@H](C1)O 10dcf3f175bc187e4259ec58def7a7a2 [0,1,0,1,0,0|2,0,0]=4 15056 B11R1.24 COCCN1CCC[C@H](C1)C 71d7950f534c8d2d0e359b4c769c5bcd [0,1,0,1,0,0|2,0,0]=4 15057 B11R1.24 COCCN1CCC[C@H](C1)F 80dd6094f3a5fc90005d46234f318084 [0,1,0,1,0,0|2,0,0]=4 15058 B11R1.24 COCCN1CCC[C@H](C1)O 19eff92e2f642dbfe5e7bc73b8fb3d68 [0,1,0,1,0,0|2,0,0]=4 15059 B11R1.24 CSCCN1CCCC(C1)C 41cb006c8ed3ce274df56298aecdc321 [0,1,0,1,0,0|2,0,0]=4 15060 B11R1.24 CSCCN1CCCC(C1)F a282212de41ebe2fca9e6772a242472c [0,1,0,1,0,0|2,0,0]=4 15061 B11R1.24 CSCCN1CCCC(C1)O e521d894acf55dbbfb9543ce879b570c [0,1,0,1,0,0|2,0,0]=4 15062 B11R1.24 CSCCN1CCC[C@@H](C1)C 2a831b510832e4df31c2628299ccb616 [0,1,0,1,0,0|2,0,0]=4 15063 B11R1.24 CSCCN1CCC[C@@H](C1)F 4241bc4c0a55b6eae57aaae3826add09 [0,1,0,1,0,0|2,0,0]=4 15064 B11R1.24 CSCCN1CCC[C@@H](C1)O ac35c97c62b56a41dc6af0b539312c0b [0,1,0,1,0,0|2,0,0]=4 15065 B11R1.24 CSCCN1CCC[C@H](C1)C 97220508c10497ba844f6aa53333d4fa [0,1,0,1,0,0|2,0,0]=4 15066 B11R1.24 CSCCN1CCC[C@H](C1)F 2ef488da83f4ac8c7eea9fb0b8761d78 [0,1,0,1,0,0|2,0,0]=4 15067 B11R1.24 CSCCN1CCC[C@H](C1)O c29c379ff87f9acdb4c23bce9bf818d6 [0,1,0,1,0,0|2,0,0]=4 15068 B11R1.24 C[C@@H]1CCCN(C1)CCCF 9fb6da9759130bb04469e645f00daad5 [0,1,0,1,0,0|2,0,0]=4 15069 B11R1.24 C[C@@H]1CCCN(C1)CCCO 57f2e19527cf170aa35d989755d30373 [0,1,0,1,0,0|2,0,0]=4 15070 B11R1.24 C[C@@H]1CCCN(C1)CCCS 44a786368617054602d81aad5d2f0df8 [0,1,0,1,0,0|2,0,0]=4 15071 B11R1.24 C[C@H]1CCCN(C1)CCCF 470061cd01160508f33845460a74eb21 [0,1,0,1,0,0|2,0,0]=4 15072 B11R1.24 C[C@H]1CCCN(C1)CCCO 7b4547329cd8c6dc02b87af1310fb181 [0,1,0,1,0,0|2,0,0]=4 15073 B11R1.24 C[C@H]1CCCN(C1)CCCS 9e8f3b0a0090c3011232669065b7d020 [0,1,0,1,0,0|2,0,0]=4 15074 B11R1.24 FC1CCCN(C1)CCCS 45ca77964ee7a5227557af059c77da66 [0,1,0,1,0,0|2,0,0]=4 15075 B11R1.24 FCCCN1CCCC(C1)F 06e1d714f99a7391fb19ebbb3362e663 [0,1,0,1,0,0|2,0,0]=4 15076 B11R1.24 FCCCN1CCC[C@@H](C1)F 205d1ad539a7d04269fe07c6dcd2f251 [0,1,0,1,0,0|2,0,0]=4 15077 B11R1.24 FCCCN1CCC[C@H](C1)F 56c4786e4cb73f643a9d4ea2683fa1cd [0,1,0,1,0,0|2,0,0]=4 15078 B11R1.24 F[C@@H]1CCCN(C1)CCCS 12b6ba7f1e689ec0525bef54e37c2f1b [0,1,0,1,0,0|2,0,0]=4 15079 B11R1.24 F[C@H]1CCCN(C1)CCCS 4070ae7c793ea10a54fd0473fc2f3e29 [0,1,0,1,0,0|2,0,0]=4 15080 B11R1.24 OC1CCCN(C1)CCCF e301bd4fbda62b1f134963f69e527483 [0,1,0,1,0,0|2,0,0]=4 15081 B11R1.24 OC1CCCN(C1)CCCS ffa43237c3b658b5d50a37c62c51aab6 [0,1,0,1,0,0|2,0,0]=4 15082 B11R1.24 OCCCN1CCCC(C1)F 52623b69c146d607e81d3c7fd5f2a94e [0,1,0,1,0,0|2,0,0]=4 15083 B11R1.24 OCCCN1CCCC(C1)O c871abe240838ed4da22288cdc8dbb11 [0,1,0,1,0,0|2,0,0]=4 15084 B11R1.24 OCCCN1CCC[C@@H](C1)F 4cccc32b58db245afcbad03beeb250e7 [0,1,0,1,0,0|2,0,0]=4 15085 B11R1.24 OCCCN1CCC[C@@H](C1)O c12fa633d2295b210c71530b21dac81a [0,1,0,1,0,0|2,0,0]=4 15086 B11R1.24 OCCCN1CCC[C@H](C1)F ffd7800e907f41893f0da7d270883a65 [0,1,0,1,0,0|2,0,0]=4 15087 B11R1.24 OCCCN1CCC[C@H](C1)O 4e272065915ba1dba5b76997369aa2be [0,1,0,1,0,0|2,0,0]=4 15088 B11R1.24 O[C@@H]1CCCN(C1)CCCF 4919ac23b86e66637ba36c769fab65d9 [0,1,0,1,0,0|2,0,0]=4 15089 B11R1.24 O[C@@H]1CCCN(C1)CCCS 31b53bbc2bf7a6847ce4d07eeebc2902 [0,1,0,1,0,0|2,0,0]=4 15090 B11R1.24 O[C@H]1CCCN(C1)CCCF ad2e2fb2838a3e78430d179a107f801f [0,1,0,1,0,0|2,0,0]=4 15091 B11R1.24 O[C@H]1CCCN(C1)CCCS e4be07be27e46b5cc7927b73423bf903 [0,1,0,1,0,0|2,0,0]=4 15092 B11R1.30 C#CCC(C)OC1CCCC1 1cab9713040bd3f93cdd7ff99e4606df [0,1,0,1,0,0|0,0,2]=4 15093 B11R1.30 C/C=C/C(C)OC1CCCC1 64afdb8e928d9b1d52f115f841a25a57 [0,1,0,1,0,0|0,0,2]=4 15094 B11R1.30 C=CCC(C)OC1CCCC1 44ada20e2c6f615bdc2a6a7cdb99c167 [0,1,0,1,0,0|0,0,2]=4 15095 B11R1.30 C=CC[C@@H](C)OC1CCCC1 a76c1f67e44f9d021701c3de35ef61c0 [0,1,0,1,0,0|0,0,2]=4 15096 B11R1.30 C=CC[C@H](C)OC1CCCC1 bfe86e597000acd86d258f9bf129592b [0,1,0,1,0,0|0,0,2]=4 15097 B11R1.30 CC#CC(C)OC1CCCC1 3413be3ee3500e763a1f0ed0d322f93c [0,1,0,1,0,0|0,0,2]=4 15098 B11R1.30 CC(CC#N)OC1CCCC1 dec1806365b99bd3cb0f0ecdeb80811a [0,1,0,1,0,0|1,0,1]=4 15099 B11R1.30 CC(CCO)NC1CCCC1 fac3f00bb96c35f2d22d6aaa0ab2884c [0,1,0,1,0,0|2,0,0]=4 15100 B11R1.30 CC=CC(C)OC1CCCC1 ff50cfd912a2fe85ead1a89f9a199d86 [0,1,0,1,0,0|0,0,2]=4 15101 B11R1.30 CCCC(=O)NC1CCCC1 da3e432756375bd4b968b22985d71611 [0,1,0,1,0,0|1,0,1]=4 15102 B11R1.30 CCCC(=S)OC1CCCC1 3fd313e1df11825f4da5dd94540b07d3 [0,1,0,1,0,0|0,0,1]=3 15103 B11R1.30 CCCC(=S)OC1CCOC1 4eec54338eab2f8eb6a852d05c48767a [0,1,0,1,0,0|1,0,1]=4 15104 B11R1.30 CCCC(=S)O[C@@H]1CCOC1 ca7196059c240afe783d033ec46c6d9a [0,1,0,1,0,0|1,0,1]=4 15105 B11R1.30 CCCC(=S)O[C@H]1CCOC1 e9dd96c0f040e60cefa56cb3ba6a8e16 [0,1,0,1,0,0|1,0,1]=4 15106 B11R1.30 CCCC(C)CN1CCSC1 95347086addb94d32ab1ee3e5a8c2456 [0,1,0,1,0,0|2,0,0]=4 15107 B11R1.30 CCCC(C)NC1CCCC1 3354220bdbe783ff0b62fbb2dde3b742 [0,1,0,1,0,0|1,0,0]=3 15108 B11R1.30 CCCC(C)NC1CCOC1 17b4f4a11ee7490b151961fe35cf6f8f [0,1,0,1,0,0|2,0,0]=4 15109 B11R1.30 CCCC(C)NC1CCSC1 f4c58c9dc269626374073185c04ebe90 [0,1,0,1,0,0|2,0,0]=4 15110 B11R1.30 CCCC(C)N[C@@H]1CCOC1 be03bf1f5d0eff902182b58a860e2cb8 [0,1,0,1,0,0|2,0,0]=4 15111 B11R1.30 CCCC(C)N[C@H]1CCOC1 7c146896a91c956511a74034e16834a9 [0,1,0,1,0,0|2,0,0]=4 15112 B11R1.30 CCCC(C)OC1C=CCC1 5e0b3d75818fbd7e7ce2681ad6bef755 [0,1,0,1,0,0|0,0,2]=4 15113 B11R1.30 CCCC(C)OC1CC=CC1 00ac1f3a586e23e1e0f3f239bf4a0674 [0,1,0,1,0,0|0,0,2]=4 15114 B11R1.30 CCCC(C)OC1CCCC1 74829b38cc4212c94f869733ee9ca792 [0,1,0,1,0,0|0,0,0]=2 15115 B11R1.30 CCCC(C)OC1CCCO1 b11ee6b066dce8185c90606abd02515f [0,1,0,1,0,0|1,0,0]=3 15116 B11R1.30 CCCC(C)OC1CCOC1 93e3d84744fe93a94d7e87076245fe5b [0,1,0,1,0,0|1,0,0]=3 15117 B11R1.30 CCCC(C)OC1CCSC1 dfe4fd73e4ba53b76f99ea7e8d8e778b [0,1,0,1,0,0|1,0,0]=3 15118 B11R1.30 CCCC(C)O[C@@H]1CCOC1 2f099851a11f7c5b295f153fccc8f449 [0,1,0,1,0,0|1,0,0]=3 15119 B11R1.30 CCCC(C)O[C@@H]1CCSC1 4932c31c3014fc731bc1c4522bbce15a [0,1,0,1,0,0|1,0,0]=3 15120 B11R1.30 CCCC(C)O[C@H]1CCOC1 f9e75635d6bf540cca74ac2910866536 [0,1,0,1,0,0|1,0,0]=3 15121 B11R1.30 CCCC(C)O[C@H]1CCSC1 acacbaa9b9451a90d695844246c8007e [0,1,0,1,0,0|1,0,0]=3 15122 B11R1.30 CCCN(C)CC1CCCC1 323070019a1116d31085b4a954c9d087 [0,1,0,1,0,0|2,0,0]=4 15123 B11R1.30 CCC[C@@H](C)OC1CCCC1 7696ffb726c8ebc9aa425bb1f2907f81 [0,1,0,1,0,0|0,0,0]=2 15124 B11R1.30 CCC[C@@H](C)OC1CCOC1 1151e8625a13136a63d16915bddc6b79 [0,1,0,1,0,0|1,0,0]=3 15125 B11R1.30 CCC[C@@H](C)O[C@@H]1CCOC1 56e2fd30a0db6400419318f1f1ee6e73 [0,1,0,1,0,0|1,0,0]=3 15126 B11R1.30 CCC[C@@H](C)O[C@H]1CCOC1 2d7c91ac5a4a7560981f85a454e6dc8b [0,1,0,1,0,0|1,0,0]=3 15127 B11R1.30 CCC[C@H](C)NC1CCCC1 13378e4c6eea9b3c66d134048b588af8 [0,1,0,1,0,0|1,0,0]=3 15128 B11R1.30 CCC[C@H](C)NC1CCOC1 1483713a66f56c589619fd342b8eadea [0,1,0,1,0,0|2,0,0]=4 15129 B11R1.30 CCC[C@H](C)N[C@@H]1CCOC1 073b034cf428164b9758542bee3fdc63 [0,1,0,1,0,0|2,0,0]=4 15130 B11R1.30 CCC[C@H](C)N[C@H]1CCOC1 89347571be4002640678c896a2f3b286 [0,1,0,1,0,0|2,0,0]=4 15131 B11R1.30 CCC[C@H](C)OC1CCCC1 6ed06a1466652ef732d27c0a6f69b351 [0,1,0,1,0,0|0,0,0]=2 15132 B11R1.30 CCC[C@H](C)OC1CCOC1 05fd6d82c5655d579919a66096c39842 [0,1,0,1,0,0|1,0,0]=3 15133 B11R1.30 CCC[C@H](C)O[C@@H]1CCOC1 6c5675ce95783a585d71eed4d65f5ef6 [0,1,0,1,0,0|1,0,0]=3 15134 B11R1.30 CCC[C@H](C)O[C@H]1CCOC1 f38091c745f297089c3fd129a647ca3e [0,1,0,1,0,0|1,0,0]=3 15135 B11R1.30 CCNC(C)CC1CCCC1 2273e00ed5c1c4f2009e6e6036d3624e [0,1,0,1,0,0|2,0,0]=4 15136 B11R1.30 CCNC(C)CN1CCCC1 a12d79f8fd38f2d674b8c32d4bec160f [0,1,0,1,0,0|2,0,0]=4 15137 B11R1.30 CCOC(C)CN1CCCC1 99ad1cbac3cb1183265506d2f64a18a8 [0,1,0,1,0,0|2,0,0]=4 15138 B11R1.30 CCO[C@@H](C)CN1CCCC1 96bde1d4a390469a6098af943cd220e4 [0,1,0,1,0,0|2,0,0]=4 15139 B11R1.30 CCO[C@H](C)CN1CCCC1 d7298a5b248e91651b0ee8d014bac84e [0,1,0,1,0,0|2,0,0]=4 15140 B11R1.30 COCC(C)NC1CCCC1 372bbfc7d46b535e2d16ec435b54c488 [0,1,0,1,0,0|2,0,0]=4 15141 B11R1.30 COCC(C)OC1CCCC1 cf528d3cb2b850d425c7cafb205a203f [0,1,0,1,0,0|1,0,0]=3 15142 B11R1.30 COCC(C)OC1CCCO1 b3e1e0d862fbd910da22c0ceb8dc118f [0,1,0,1,0,0|2,0,0]=4 15143 B11R1.30 COCC(C)OC1CCOC1 e070a0989a5d4ba0b3dcfd9408ac386f [0,1,0,1,0,0|2,0,0]=4 15144 B11R1.30 COCC(C)OC1CCSC1 57c9b5aacc43c2a11b3b5718a172ef82 [0,1,0,1,0,0|2,0,0]=4 15145 B11R1.30 COCC(C)O[C@@H]1CCOC1 6ca779d2d1e2ec4629d58a3e0a5a65d3 [0,1,0,1,0,0|2,0,0]=4 15146 B11R1.30 COCC(C)O[C@@H]1CCSC1 8e4de6f6ac9575822fddebeebfa25bb1 [0,1,0,1,0,0|2,0,0]=4 15147 B11R1.30 COCC(C)O[C@H]1CCOC1 0ae96444670f4471aac006442b503a59 [0,1,0,1,0,0|2,0,0]=4 15148 B11R1.30 COCC(C)O[C@H]1CCSC1 c3279b37b1362e5cb26492a4997c8a9f [0,1,0,1,0,0|2,0,0]=4 15149 B11R1.30 COC[C@@H](C)NC1CCCC1 dbcf41d97c5a9d5179b6ce9ceeb4bcc6 [0,1,0,1,0,0|2,0,0]=4 15150 B11R1.30 COC[C@@H](C)OC1CCCC1 c6fc0d4cfb6632545c7cb978932174cf [0,1,0,1,0,0|1,0,0]=3 15151 B11R1.30 COC[C@@H](C)OC1CCOC1 1f194a8f33761528af948570c45296c3 [0,1,0,1,0,0|2,0,0]=4 15152 B11R1.30 COC[C@@H](C)O[C@@H]1CCOC1 d7824e985ac18dbda8e2729dafe9f355 [0,1,0,1,0,0|2,0,0]=4 15153 B11R1.30 COC[C@@H](C)O[C@H]1CCOC1 24c527666f582f88022b4ba17e63c628 [0,1,0,1,0,0|2,0,0]=4 15154 B11R1.30 COC[C@H](C)NC1CCCC1 add105b919f798f316176f4606fd4668 [0,1,0,1,0,0|2,0,0]=4 15155 B11R1.30 COC[C@H](C)OC1CCCC1 637ee589a9186926e4bb984968a11efc [0,1,0,1,0,0|1,0,0]=3 15156 B11R1.30 COC[C@H](C)OC1CCOC1 552cd7a244b60357c07de066180a8fe2 [0,1,0,1,0,0|2,0,0]=4 15157 B11R1.30 COC[C@H](C)O[C@@H]1CCOC1 0281217b688673a0cd23664159a0f1fa [0,1,0,1,0,0|2,0,0]=4 15158 B11R1.30 COC[C@H](C)O[C@H]1CCOC1 72f1d3f0ccc4e1c1951bd2a6acbfb0e2 [0,1,0,1,0,0|2,0,0]=4 15159 B11R1.30 CSCC(C)OC1CCCC1 6f9c0a991a970785d42086b556498752 [0,1,0,1,0,0|1,0,0]=3 15160 B11R1.30 C[C@@H](CC#N)OC1CCCC1 966cc3fd98ee2aa74170c7e5b2f6735e [0,1,0,1,0,0|1,0,1]=4 15161 B11R1.30 C[C@@H](CCO)NC1CCCC1 03712b5ce7aae7a0b73b03b3d213e28b [0,1,0,1,0,0|2,0,0]=4 15162 B11R1.30 C[C@H](CC#N)OC1CCCC1 33cf0c42a38c46896665591877bd1a03 [0,1,0,1,0,0|1,0,1]=4 15163 B11R1.30 C[C@H](CCO)NC1CCCC1 d29679dd2aa4ee124db3f8c4d15a74e6 [0,1,0,1,0,0|2,0,0]=4 15164 B11R1.52 CCCCN[C@H]1C[C@@H]1COC d8d5b194ead0cd8e605aab838a35f5b3 [0,1,0,1,0,0|1,0,0]=3 15165 B11R1.52 CCCCN[C@H]1C[C@H]1COC 13a164926f5eb70b0a96cc602c5ddbc9 [0,1,0,1,0,0|1,0,0]=3 15166 B11R1.52 CCOCN[C@H]1C[C@@H]1COC 36a901754e071585df9f119e0fbd9bfc [0,1,0,1,0,0|2,0,0]=4 15167 B11R1.52 CCOCN[C@H]1C[C@H]1COC 087ec25c9596a85c6220461d48a776e4 [0,1,0,1,0,0|2,0,0]=4 15168 B11R1.52 COCCN[C@H]1C[C@@H]1COC da6e8bb7f497d366a4a2dc7b23fb06fa [0,1,0,1,0,0|2,0,0]=4 15169 B11R1.52 COCCN[C@H]1C[C@H]1COC 4a792083bb18607b9dc4a50363b5223c [0,1,0,1,0,0|2,0,0]=4 15170 B11R1.52 COC[C@@H]1C[C@@H]1NCCCF 0cd4421a5f862be7ffb9d05f90f65981 [0,1,0,1,0,0|2,0,0]=4 15171 B11R1.52 COC[C@@H]1C[C@@H]1NCCCO 94a772d4d6ee2929ff028d70237f17de [0,1,0,1,0,0|2,0,0]=4 15172 B11R1.52 COC[C@@H]1C[C@@H]1NCCCS 7b0e838293a3730a2548d940c257245c [0,1,0,1,0,0|2,0,0]=4 15173 B11R1.52 COC[C@@H]1C[C@@H]1NCCSC f225f308f881f737f646be7ecedaef1f [0,1,0,1,0,0|2,0,0]=4 15174 B11R1.52 COC[C@H]1C[C@@H]1NCCCF 8e65e46de1e911f43faf64fece7b40c3 [0,1,0,1,0,0|2,0,0]=4 15175 B11R1.52 COC[C@H]1C[C@@H]1NCCCO 307d460ae7f9a6b6ee99325bc653737d [0,1,0,1,0,0|2,0,0]=4 15176 B11R1.52 COC[C@H]1C[C@@H]1NCCCS fdfb5282a142cea9c9148f2092386781 [0,1,0,1,0,0|2,0,0]=4 15177 B11R1.52 COC[C@H]1C[C@@H]1NCCSC 43b698667f522427fc93d819cab1252b [0,1,0,1,0,0|2,0,0]=4 15178 B11R1.78 C#CCCCOC1CC(C1)C f2f3c32c82890d622f4479cb9de36e04 [0,1,0,1,0,0|0,0,2]=4 15179 B11R1.78 C#CCCCOC1CC(C1)F 625930c4a55e072d4f54a001172460bb [0,1,0,1,0,0|0,0,2]=4 15180 B11R1.78 C#CCCCO[C@H]1C[C@@H](C1)F ad0c1b64a3cd5208efeaeb5bb281097e [0,1,0,1,0,0|0,0,2]=4 15181 B11R1.78 C#CCCCO[C@H]1C[C@H](C1)F 7c6a3a743cc4e02081dda19aed0ae58a [0,1,0,1,0,0|0,0,2]=4 15182 B11R1.78 C#CCCOCC1CC(C1)C a12200eb52113181375684d18e41530c [0,1,0,1,0,0|0,0,2]=4 15183 B11R1.78 C#CCCOCC1CC(C1)F f9107d02ff3df54aca49ad2b2ed25188 [0,1,0,1,0,0|0,0,2]=4 15184 B11R1.78 C#CCCOC[C@H]1C[C@@H](C1)C 8f234b9be07fbd9fa52b4dd508c8dd56 [0,1,0,1,0,0|0,0,2]=4 15185 B11R1.78 C#CCCOC[C@H]1C[C@H](C1)F 6fa5bd6644c1bb6c44f06471492bff3f [0,1,0,1,0,0|0,0,2]=4 15186 B11R1.78 C/C=C/COCC1CC(C1)C 4b88d99f405712b3587e385416dfbf4a [0,1,0,1,0,0|0,0,2]=4 15187 B11R1.78 C/C=C/COCC1CC(C1)F 36d026eae7e9f45a0f94bcab961d69e1 [0,1,0,1,0,0|0,0,2]=4 15188 B11R1.78 C/C=C/COC[C@H]1C[C@@H](C1)C efaac3bc5870a252d6a6b39657c689b7 [0,1,0,1,0,0|0,0,2]=4 15189 B11R1.78 C/C=C/COC[C@H]1C[C@H](C1)F 5dbde48d2e1ec99c3e3fc67be59283de [0,1,0,1,0,0|0,0,2]=4 15190 B11R1.78 C/C=C\COCC1CC(C1)C bb8465d9869d8c84a450c74ad93e18f9 [0,1,0,1,0,0|0,0,2]=4 15191 B11R1.78 C/C=C\COCC1CC(C1)F a5b9cd3d5f23e4b7f155f8367f48f725 [0,1,0,1,0,0|0,0,2]=4 15192 B11R1.78 C/C=C\COC[C@H]1C[C@@H](C1)C 1c78f8c44973daba317374d3ca0f2670 [0,1,0,1,0,0|0,0,2]=4 15193 B11R1.78 C/C=C\COC[C@H]1C[C@H](C1)F a90a087ac7d3e075ce4421dc15e12c34 [0,1,0,1,0,0|0,0,2]=4 15194 B11R1.78 C=C1CC(C1)CNCCCC 95d3225660ded28baea1da3faf541fde [0,1,0,1,0,0|1,0,1]=4 15195 B11R1.78 C=C1CC(C1)COCCCC 57724be6548dd9aa718f4b379977e2cc [0,1,0,1,0,0|0,0,1]=3 15196 B11R1.78 C=C1CC(C1)COCCCF 11f3a3189250d71ce9be0b765d4df0f3 [0,1,0,1,0,0|1,0,1]=4 15197 B11R1.78 C=C1CC(C1)COCCCS 4ccfc816b34fa60991a4481608b10497 [0,1,0,1,0,0|1,0,1]=4 15198 B11R1.78 C=C1CC(C1)COCCOC 76e5c3bb7b95f3ca33f5a7ca374d74fd [0,1,0,1,0,0|1,0,1]=4 15199 B11R1.78 C=C1CC(C1)COCCSC c56ee7ab3e3b247805c601253f32fc52 [0,1,0,1,0,0|1,0,1]=4 15200 B11R1.78 C=C1CC(C1)COCOCC e462a8828eb4b7d4d5bbbd9070a9ee6a [0,1,0,1,0,0|1,0,1]=4 15201 B11R1.78 C=CCCCOC1CC(C1)C dbf1e1ba3b86a1c9fb45b06bdc0fc47a [0,1,0,1,0,0|0,0,2]=4 15202 B11R1.78 C=CCCCOC1CC(C1)F 546c502ff24b3c0c2846ff8b3d9f0904 [0,1,0,1,0,0|0,0,2]=4 15203 B11R1.78 C=CCCCO[C@H]1C[C@@H](C1)F e1982a6d5744f590f85bae2f8f78bbd4 [0,1,0,1,0,0|0,0,2]=4 15204 B11R1.78 C=CCCCO[C@H]1C[C@H](C1)F b6b916695c2a78518412d0dd57fe4959 [0,1,0,1,0,0|0,0,2]=4 15205 B11R1.78 C=CCCOCC1CC(C1)C 34e703a6ee9b37e65c32e0a38eb8887f [0,1,0,1,0,0|0,0,2]=4 15206 B11R1.78 C=CCCOCC1CC(C1)F 2201a8cace5b33af926ce3d6e15a2275 [0,1,0,1,0,0|0,0,2]=4 15207 B11R1.78 C=CCCOC[C@H]1C[C@@H](C1)C 62aa1efbcc667be4acce3cf8a360bda0 [0,1,0,1,0,0|0,0,2]=4 15208 B11R1.78 C=CCCOC[C@H]1C[C@H](C1)F 2300822702a53b150014b7db8adf048e [0,1,0,1,0,0|0,0,2]=4 15209 B11R1.78 CC#CCOCC1CC(C1)C f2174c318a4f529cf221c42a044c6590 [0,1,0,1,0,0|0,0,2]=4 15210 B11R1.78 CC#CCOC[C@H]1C[C@@H](C1)C 32c13603ec3213529a38fd4c84ddf9b3 [0,1,0,1,0,0|0,0,2]=4 15211 B11R1.78 CC#CCOC[C@H]1C[C@H](C1)F 01ccd73e25eb6ce431bcd8d36e845282 [0,1,0,1,0,0|0,0,2]=4 15212 B11R1.78 CC/C=C/COC1CC(C1)C 1b17327105ab2fe6c27c99075796a299 [0,1,0,1,0,0|0,0,2]=4 15213 B11R1.78 CC/C=C/COC1CC(C1)F 6c4fc1d63019987eada89d9ca1422f67 [0,1,0,1,0,0|0,0,2]=4 15214 B11R1.78 CC/C=C/CO[C@H]1C[C@@H](C1)F f94e71dcb9d45c4639494f38b3074e19 [0,1,0,1,0,0|0,0,2]=4 15215 B11R1.78 CC/C=C/CO[C@H]1C[C@H](C1)F cdada564eb3278f75448e4a8b032f48f [0,1,0,1,0,0|0,0,2]=4 15216 B11R1.78 CC1CC(C1)CNCCCCl 3b20c7533c973dc5793ea2f4f6453489 [0,1,0,1,0,0|2,0,0]=4 15217 B11R1.78 CC1CC(C1)CNCCCO 6f70ebbf43d8d7a70e0b85326601a099 [0,1,0,1,0,0|2,0,0]=4 15218 B11R1.78 CC1CC(C1)COCCC#N 21d53aacbcd9d9b37204cd5b60c0507d [0,1,0,1,0,0|1,0,1]=4 15219 B11R1.78 CC1CC(C1)COCCC=O de700274d9bf3805768abadc3c812ff0 [0,1,0,1,0,0|1,0,1]=4 15220 B11R1.78 CC1CC(C1)COCCCF 38aa2fde5993420822b1498a159a528e [0,1,0,1,0,0|1,0,0]=3 15221 B11R1.78 CC1CC(C1)COCCCS 97b84166e0a5e9ba570e884626c72951 [0,1,0,1,0,0|1,0,0]=3 15222 B11R1.78 CC1CC(C1)OCCCC#N 273585b4f8d158edbb273da37c655ed3 [0,1,0,1,0,0|1,0,1]=4 15223 B11R1.78 CC1CC(C1)OCCCC=O 3c002f9451027c1769c31e02ae1715f5 [0,1,0,1,0,0|1,0,1]=4 15224 B11R1.78 CC1CC(C1)OCCCCF 803503b17d4c131fd90a2d9d8dd59504 [0,1,0,1,0,0|1,0,0]=3 15225 B11R1.78 CC=CCOCC1CC(C1)C 9633c10c2bdc92837c91a06d9580f515 [0,1,0,1,0,0|0,0,2]=4 15226 B11R1.78 CC=CCOC[C@H]1C[C@H](C1)F 0d055fac138f5c4e46dcd77ff6c22af3 [0,1,0,1,0,0|0,0,2]=4 15227 B11R1.78 CCC#CCOC1CC(C1)C c907bfc8a2968f51d16d0725080ec268 [0,1,0,1,0,0|0,0,2]=4 15228 B11R1.78 CCCCCCN1CC(C1)F 3cea3396146bd873ee8f6dd1fb81779a [0,1,0,1,0,0|2,0,0]=4 15229 B11R1.78 CCCCCCN1CC(C1)O 203f3a7957281dfcc6a09702bfe3c0ea [0,1,0,1,0,0|2,0,0]=4 15230 B11R1.78 CCCCCNC1CC(C1)F 76206566d5d8890ce3ab1e93cf0656df [0,1,0,1,0,0|1,0,0]=3 15231 B11R1.78 CCCCCNC1CC(C1)O 0e1240534de42c1f30071216e3d3604d [0,1,0,1,0,0|1,0,0]=3 15232 B11R1.78 CCCCCNC1CN(C1)C e35178f6b60b8929f2fbeb0c2b2fc9af [0,1,0,1,0,0|2,0,0]=4 15233 B11R1.78 CCCCCN[C@H]1C[C@@H](C1)F a955e2b3823a6901ca9c5ea440ad4fe9 [0,1,0,1,0,0|1,0,0]=3 15234 B11R1.78 CCCCCN[C@H]1C[C@@H](C1)O acc47d780c401a87868905dac9ccb1bf [0,1,0,1,0,0|1,0,0]=3 15235 B11R1.78 CCCCCN[C@H]1C[C@H](C1)F 5a3ecec1facad4a60e12c8964af05564 [0,1,0,1,0,0|1,0,0]=3 15236 B11R1.78 CCCCCN[C@H]1C[C@H](C1)O b7cb7976c792e6886a2b06603c52de03 [0,1,0,1,0,0|1,0,0]=3 15237 B11R1.78 CCCCCOC1CC(=O)C1 e9d3a81f5a09313bf9c683828478434a [0,1,0,1,0,0|0,0,1]=3 15238 B11R1.78 CCCCCOC1CC(C1)C feffc5ca8a4e0a842a51106c8a8f9124 [0,1,0,1,0,0|0,0,0]=2 15239 B11R1.78 CCCCCOC1CC(C1)F da07d1a41d21e6df5fab3c4c686ab290 [0,1,0,1,0,0|0,0,0]=2 15240 B11R1.78 CCCCCOC1CN(C1)C c3051cff86f9bc2706b96ca4286e6919 [0,1,0,1,0,0|1,0,0]=3 15241 B11R1.78 CCCCCO[C@H]1C[C@@H](C1)F f308b8172cae1ba5b7e57f6dc659aa97 [0,1,0,1,0,0|0,0,0]=2 15242 B11R1.78 CCCCCO[C@H]1C[C@H](C1)F 4a9d017cc087afcc74f07dac6c0ccd5c [0,1,0,1,0,0|0,0,0]=2 15243 B11R1.78 CCCCNCC1CC(=O)C1 fc4945dadf89f1811d60ac396a4b9aaf [0,1,0,1,0,0|1,0,1]=4 15244 B11R1.78 CCCCNCC1CC(C1)C e72f53f86e2babeba17483445de8087e [0,1,0,1,0,0|1,0,0]=3 15245 B11R1.78 CCCCNCC1CC(C1)O a5014d25cdd574b5f8ade28770779c87 [0,1,0,1,0,0|1,0,0]=3 15246 B11R1.78 CCCCNCC1CN(C1)C 21a7207c45199263bfd3097a662f2c09 [0,1,0,1,0,0|2,0,0]=4 15247 B11R1.78 CCCCNC[C@H]1C[C@@H](C1)O 35e74f8cb664fb86a4ad6e1c7e8416d2 [0,1,0,1,0,0|1,0,0]=3 15248 B11R1.78 CCCCNC[C@H]1C[C@H](C1)F c873a57fed62d593ffff4d711d7745db [0,1,0,1,0,0|1,0,0]=3 15249 B11R1.78 CCCCNC[C@H]1C[C@H](C1)O c2931436a7f713c4f8262fbbfe6ef6c1 [0,1,0,1,0,0|1,0,0]=3 15250 B11R1.78 CCCCOCC1CC(=O)C1 b745974591b679b41c4f7048ed0e0090 [0,1,0,1,0,0|0,0,1]=3 15251 B11R1.78 CCCCOCC1CC(=O)N1 d097b400fa6b83e91de2192b2f446f6a [0,1,0,1,0,0|1,0,1]=4 15252 B11R1.78 CCCCOCC1CC(=O)O1 975087ca287ad7024709ba55827da77c [0,1,0,1,0,0|1,0,1]=4 15253 B11R1.78 CCCCOCC1CC(C1)C c6fcace3049168c35f1567573e0bfae9 [0,1,0,1,0,0|0,0,0]=2 15254 B11R1.78 CCCCOCC1CC(C1)F cbc5506647fc120f46432a13bb4d5fff [0,1,0,1,0,0|0,0,0]=2 15255 B11R1.78 CCCCOCC1CN(C1)C 92af918e0630bbd833816eebb06ed718 [0,1,0,1,0,0|1,0,0]=3 15256 B11R1.78 CCCCOCN1CC(C1)F 7205eca3dc1f29b9996ae3a407d55575 [0,1,0,1,0,0|1,0,0]=3 15257 B11R1.78 CCCCOCN1CC(C1)O 660c941eccb148cdbb3d25fdb8d06f29 [0,1,0,1,0,0|1,0,0]=3 15258 B11R1.78 CCCCOC[C@@H]1CC(=O)N1 6e3c0e34251fe6e3cb370e4e431e6b1c [0,1,0,1,0,0|1,0,1]=4 15259 B11R1.78 CCCCOC[C@H]1CC(=O)N1 a09dbc9d222d76053c19cbc68f6e1d6b [0,1,0,1,0,0|1,0,1]=4 15260 B11R1.78 CCCCOC[C@H]1C[C@@H](C1)C fd8f5a8a790a18faf18b3b865ad51466 [0,1,0,1,0,0|0,0,0]=2 15261 B11R1.78 CCCCOC[C@H]1C[C@H](C1)F e190c103b54adb767fb8c0583cbf830a [0,1,0,1,0,0|0,0,0]=2 15262 B11R1.78 CCOCCNC1CC(C1)F f7241e5b2a90c61f631817834837d3cf [0,1,0,1,0,0|2,0,0]=4 15263 B11R1.78 CCOCCNC1CC(C1)O 747e47ab108e2a0fc6c2708b352eb899 [0,1,0,1,0,0|2,0,0]=4 15264 B11R1.78 CCOCCN[C@H]1C[C@@H](C1)F f309614f24a5de0ad7b196b6522e57e2 [0,1,0,1,0,0|2,0,0]=4 15265 B11R1.78 CCOCCN[C@H]1C[C@@H](C1)O d12b1b82f803a47f4ade60a85eca67ca [0,1,0,1,0,0|2,0,0]=4 15266 B11R1.78 CCOCCN[C@H]1C[C@H](C1)F 4a3bc11e9571cb06db0d8be59bba542a [0,1,0,1,0,0|2,0,0]=4 15267 B11R1.78 CCOCCN[C@H]1C[C@H](C1)O 94ca4889349edd82caf848d8601fb335 [0,1,0,1,0,0|2,0,0]=4 15268 B11R1.78 CCOCCOC1CC(=O)C1 af4b1bbe7363542a02e84d329eb0a42d [0,1,0,1,0,0|1,0,1]=4 15269 B11R1.78 CCOCCOC1CC(C1)C 55eb178d467fdc1cd178f6aac1bbc5c7 [0,1,0,1,0,0|1,0,0]=3 15270 B11R1.78 CCOCCOC1CC(C1)F 1cf98cb637c6b6db664e81cbe3bb7c10 [0,1,0,1,0,0|1,0,0]=3 15271 B11R1.78 CCOCCOC1CN(C1)C 14f72124a7e8f798df23131ff114d9c0 [0,1,0,1,0,0|2,0,0]=4 15272 B11R1.78 CCOCCO[C@H]1C[C@@H](C1)F c8cef63413e2bedd68f499387e63ef37 [0,1,0,1,0,0|1,0,0]=3 15273 B11R1.78 CCOCCO[C@H]1C[C@H](C1)F 0919aa7fff7f2dec836a5cec1f5981b9 [0,1,0,1,0,0|1,0,0]=3 15274 B11R1.78 CCOCNCC1CC(C1)O 0d2e65543043ec4f7a89a822ccf93bad [0,1,0,1,0,0|2,0,0]=4 15275 B11R1.78 CCOCNC[C@H]1C[C@@H](C1)O 3df169490eaef8917cd516f2f201a596 [0,1,0,1,0,0|2,0,0]=4 15276 B11R1.78 CCOCNC[C@H]1C[C@H](C1)O 0e36a5cc8363eaa760ef7cb6ea2c4992 [0,1,0,1,0,0|2,0,0]=4 15277 B11R1.78 CCOCOCC1CC(C1)C 5b69da5e647d3c03ce782e48495bb495 [0,1,0,1,0,0|1,0,0]=3 15278 B11R1.78 CCOCOCC1CC(C1)F 291378aef7ab929455de7a5cb085d0c5 [0,1,0,1,0,0|1,0,0]=3 15279 B11R1.78 CCOCOCC1CN(C1)C 97fbb3b70a4f92e5d6bb8797e61f2cca [0,1,0,1,0,0|2,0,0]=4 15280 B11R1.78 CCOCOC[C@H]1C[C@@H](C1)C 07576e6cf44dc00b40b0d8d38b95f0a6 [0,1,0,1,0,0|1,0,0]=3 15281 B11R1.78 CCSCCNC1CC(C1)F fc0d5d714efb2708089d4efcdce8142d [0,1,0,1,0,0|2,0,0]=4 15282 B11R1.78 CCSCCNC1CC(C1)O 5f783c15dfe47ea702207badb40a7254 [0,1,0,1,0,0|2,0,0]=4 15283 B11R1.78 CCSCCN[C@H]1C[C@@H](C1)F 492125e44ca0f6f933dd09b506fd5269 [0,1,0,1,0,0|2,0,0]=4 15284 B11R1.78 CCSCCN[C@H]1C[C@@H](C1)O 5139c50cf23ab0d99652b54451123a3f [0,1,0,1,0,0|2,0,0]=4 15285 B11R1.78 CCSCCN[C@H]1C[C@H](C1)F 7681d1ba9d297a5dafe03970c234efee [0,1,0,1,0,0|2,0,0]=4 15286 B11R1.78 CCSCCN[C@H]1C[C@H](C1)O cfe5274cbcd94388c41de680c88094a1 [0,1,0,1,0,0|2,0,0]=4 15287 B11R1.78 CCSCCOC1CC(=O)C1 93db09f7ccfdc84945952e27f28277a8 [0,1,0,1,0,0|1,0,1]=4 15288 B11R1.78 CCSCCOC1CC(C1)C c891de460f91fc45dbaad0d7e1db2b17 [0,1,0,1,0,0|1,0,0]=3 15289 B11R1.78 CCSCCOC1CC(C1)F 3251b9abcf95b26b124444f2243c6060 [0,1,0,1,0,0|1,0,0]=3 15290 B11R1.78 CCSCCOC1CN(C1)C 00243658ea78285eff0ac9ae3d5d149f [0,1,0,1,0,0|2,0,0]=4 15291 B11R1.78 CCSCCO[C@H]1C[C@@H](C1)F cc20a0becff3a888aa61973d01963714 [0,1,0,1,0,0|1,0,0]=3 15292 B11R1.78 CCSCCO[C@H]1C[C@H](C1)F 78e3cd89166a210678bee4c06dc7aa57 [0,1,0,1,0,0|1,0,0]=3 15293 B11R1.78 CN1CC(C1)COCCCF 65769e904872251d43c485a056198455 [0,1,0,1,0,0|2,0,0]=4 15294 B11R1.78 CN1CC(C1)COCCCS cb295515af31fc23e11097e812059fd2 [0,1,0,1,0,0|2,0,0]=4 15295 B11R1.78 CN1CC(C1)OCCCCF f9849121bdd517976795c68f2d1544fb [0,1,0,1,0,0|2,0,0]=4 15296 B11R1.78 COCCCNC1CC(C1)F 55713cd9afe7ab7c272f0f42ea8490d8 [0,1,0,1,0,0|2,0,0]=4 15297 B11R1.78 COCCCNC1CC(C1)O 3be9f61d685e31a5204e5e7ffc258f4f [0,1,0,1,0,0|2,0,0]=4 15298 B11R1.78 COCCCN[C@H]1C[C@@H](C1)F 6d4ff0f4219b18320f7e6f9248da4077 [0,1,0,1,0,0|2,0,0]=4 15299 B11R1.78 COCCCN[C@H]1C[C@@H](C1)O 4a63a6a3e6d4e7e845e7583d98ee2972 [0,1,0,1,0,0|2,0,0]=4 15300 B11R1.78 COCCCN[C@H]1C[C@H](C1)F dcc5338f9a61020d7aba9b4341354e2b [0,1,0,1,0,0|2,0,0]=4 15301 B11R1.78 COCCCN[C@H]1C[C@H](C1)O 84b80b598dcc5578a3e9b1d074b841c0 [0,1,0,1,0,0|2,0,0]=4 15302 B11R1.78 COCCCOC1CC(=O)C1 2ec4403746931a4fc4f84802e24fb28e [0,1,0,1,0,0|1,0,1]=4 15303 B11R1.78 COCCCOC1CC(C1)C 6556a0a2afc3688d647ccadd8a09f051 [0,1,0,1,0,0|1,0,0]=3 15304 B11R1.78 COCCCOC1CC(C1)F 51573c5fef31cc41080b2fa05f603de6 [0,1,0,1,0,0|1,0,0]=3 15305 B11R1.78 COCCCOC1CN(C1)C 08477ba305a40a7b37ae19e0ecaf0e5e [0,1,0,1,0,0|2,0,0]=4 15306 B11R1.78 COCCCO[C@H]1C[C@@H](C1)F dba7992f7178336f3eeab0bb433c86bc [0,1,0,1,0,0|1,0,0]=3 15307 B11R1.78 COCCCO[C@H]1C[C@H](C1)F e0d2e3181593f6cf11e562697effbb04 [0,1,0,1,0,0|1,0,0]=3 15308 B11R1.78 COCCNCC1CC(C1)C 68aca38d86f82f57c46127f0e766a9f3 [0,1,0,1,0,0|2,0,0]=4 15309 B11R1.78 COCCNCC1CC(C1)O b88a642ac7baef7eac227c0309ba871c [0,1,0,1,0,0|2,0,0]=4 15310 B11R1.78 COCCNC[C@H]1C[C@@H](C1)O 12286c5ebb53ea5a61cf3b2b6a645064 [0,1,0,1,0,0|2,0,0]=4 15311 B11R1.78 COCCNC[C@H]1C[C@H](C1)F 592b7314ef34c357e69dc6f8a4f3eba7 [0,1,0,1,0,0|2,0,0]=4 15312 B11R1.78 COCCNC[C@H]1C[C@H](C1)O 5cce8664ce8c10b6c90af144515ca28e [0,1,0,1,0,0|2,0,0]=4 15313 B11R1.78 COCCOCC1CC(=O)C1 b5b634809c1a4f9d913fb26643f0c856 [0,1,0,1,0,0|1,0,1]=4 15314 B11R1.78 COCCOCC1CC(C1)C 9d2546683ce957fa36f1f09f32e0b6f2 [0,1,0,1,0,0|1,0,0]=3 15315 B11R1.78 COCCOCC1CC(C1)F b4b11402ce7532c35a25b8078df44210 [0,1,0,1,0,0|1,0,0]=3 15316 B11R1.78 COCCOCC1CN(C1)C 580808ffbe9266b4785953cba8a63c4e [0,1,0,1,0,0|2,0,0]=4 15317 B11R1.78 COCCOCN1CC(C1)F fac25ffa497aa99fac3125765f74939f [0,1,0,1,0,0|2,0,0]=4 15318 B11R1.78 COCCOCN1CC(C1)O bbcf800d3f693b673b1401d5e5c3bc7b [0,1,0,1,0,0|2,0,0]=4 15319 B11R1.78 COCCOC[C@H]1C[C@@H](C1)C a11aadc66692608f43a7e72cd70213f7 [0,1,0,1,0,0|1,0,0]=3 15320 B11R1.78 COCCOC[C@H]1C[C@H](C1)F 330dff531196a88e4fdfd0f2ceb72a13 [0,1,0,1,0,0|1,0,0]=3 15321 B11R1.78 CSCCCNC1CC(C1)F fc3c898ea0d83ef3605bd05f631a5a60 [0,1,0,1,0,0|2,0,0]=4 15322 B11R1.78 CSCCCNC1CC(C1)O 18acee21477838f1bc7bcd53bd5b4e03 [0,1,0,1,0,0|2,0,0]=4 15323 B11R1.78 CSCCCN[C@H]1C[C@@H](C1)F e1009062c6d24e5d2b90037b6ce29e4f [0,1,0,1,0,0|2,0,0]=4 15324 B11R1.78 CSCCCN[C@H]1C[C@@H](C1)O 449b206440c154c8da28269535cc5ced [0,1,0,1,0,0|2,0,0]=4 15325 B11R1.78 CSCCCN[C@H]1C[C@H](C1)F 14be426ef621151e626a8a98355232ff [0,1,0,1,0,0|2,0,0]=4 15326 B11R1.78 CSCCCN[C@H]1C[C@H](C1)O 129aee7e6d278d14e331ca69eb3ef64d [0,1,0,1,0,0|2,0,0]=4 15327 B11R1.78 CSCCCOC1CC(=O)C1 392a8966c3fc468c1e3ecc8615be273d [0,1,0,1,0,0|1,0,1]=4 15328 B11R1.78 CSCCCOC1CC(C1)C dd0b02b4696d54576c9e082785cc5690 [0,1,0,1,0,0|1,0,0]=3 15329 B11R1.78 CSCCCOC1CC(C1)F b90490cc76e30d5d9a1c522d9e0139a2 [0,1,0,1,0,0|1,0,0]=3 15330 B11R1.78 CSCCCOC1CN(C1)C f9fc87f5c80042e1c07aa5fd2a1e5b85 [0,1,0,1,0,0|2,0,0]=4 15331 B11R1.78 CSCCCO[C@H]1C[C@@H](C1)F d509bd147d05a3ad446ead9aad88c021 [0,1,0,1,0,0|1,0,0]=3 15332 B11R1.78 CSCCCO[C@H]1C[C@H](C1)F 1f422a536fdef154465d79658b91ec74 [0,1,0,1,0,0|1,0,0]=3 15333 B11R1.78 CSCCNCC1CC(C1)C 3232ed7c974f44eb94a35d9326ebe077 [0,1,0,1,0,0|2,0,0]=4 15334 B11R1.78 CSCCNCC1CC(C1)O ada8c68175057ecc95b5c622186dc0d6 [0,1,0,1,0,0|2,0,0]=4 15335 B11R1.78 CSCCNC[C@H]1C[C@@H](C1)O e498df9dce083493be096aa69ead37d2 [0,1,0,1,0,0|2,0,0]=4 15336 B11R1.78 CSCCNC[C@H]1C[C@H](C1)F ad243a0208ff9b2b99cd274ad850bb42 [0,1,0,1,0,0|2,0,0]=4 15337 B11R1.78 CSCCNC[C@H]1C[C@H](C1)O 7b2bb50302897ff725f9fda3be2fc829 [0,1,0,1,0,0|2,0,0]=4 15338 B11R1.78 CSCCOCC1CC(=O)C1 5c74cd3e0384157d9bc7d21a2daf3589 [0,1,0,1,0,0|1,0,1]=4 15339 B11R1.78 CSCCOCC1CC(C1)C 3a62492ff3533c74b67ec2845971b68c [0,1,0,1,0,0|1,0,0]=3 15340 B11R1.78 CSCCOCC1CC(C1)F 48e5332584a2b4ff5520576709b639c7 [0,1,0,1,0,0|1,0,0]=3 15341 B11R1.78 CSCCOCC1CN(C1)C d453603f43519bd7236cfceffa546a10 [0,1,0,1,0,0|2,0,0]=4 15342 B11R1.78 CSCCOC[C@H]1C[C@@H](C1)C 0ba1bba33b644e226c2f55d97d0d9cb7 [0,1,0,1,0,0|1,0,0]=3 15343 B11R1.78 CSCCOC[C@H]1C[C@H](C1)F d4dcd55b57c87de5f82b8fd9665f4784 [0,1,0,1,0,0|1,0,0]=3 15344 B11R1.78 C[C@H]1C[C@@H](C1)COCCC#N e21ab89b53287a5cfec988ff99245937 [0,1,0,1,0,0|1,0,1]=4 15345 B11R1.78 C[C@H]1C[C@@H](C1)COCCC=O b8343ea13faeca5b32205f4e24657d0f [0,1,0,1,0,0|1,0,1]=4 15346 B11R1.78 C[C@H]1C[C@@H](C1)COCCCF 179ad6d5431ab7c73bb0ea4e71721f0d [0,1,0,1,0,0|1,0,0]=3 15347 B11R1.78 C[C@H]1C[C@@H](C1)COCCCS 983886bfdf2d2990595d55e9aba5562d [0,1,0,1,0,0|1,0,0]=3 15348 B11R1.78 FC1CC(C1)COCCCS f8e93dcff0c7bda034091f70326af817 [0,1,0,1,0,0|1,0,0]=3 15349 B11R1.78 FCCCCNC1CC(C1)F fd8709af73ba828b9f261c66b6ad74b4 [0,1,0,1,0,0|2,0,0]=4 15350 B11R1.78 FCCCCN[C@H]1C[C@@H](C1)F a9a20f71dc74c0e9f8247a55c46b6304 [0,1,0,1,0,0|2,0,0]=4 15351 B11R1.78 FCCCCN[C@H]1C[C@H](C1)F 5624b25d5c4540d42058c1b6ab2657a1 [0,1,0,1,0,0|2,0,0]=4 15352 B11R1.78 FCCCCOC1CC(C1)F 767d77a28f3fa0683461fb4b33a48041 [0,1,0,1,0,0|1,0,0]=3 15353 B11R1.78 FCCCCO[C@H]1C[C@@H](C1)F 90a977cf6f3008d3674983589d4ff90f [0,1,0,1,0,0|1,0,0]=3 15354 B11R1.78 FCCCCO[C@H]1C[C@H](C1)F 0687d356f50273d8bb08f5bf891c692a [0,1,0,1,0,0|1,0,0]=3 15355 B11R1.78 FCCCOCC1CC(C1)F 1feb5c5d1aaed74da546289ea50c6ec7 [0,1,0,1,0,0|1,0,0]=3 15356 B11R1.78 FCCCOC[C@H]1C[C@H](C1)F d6eb3867f6e0fdfd52a5b5d34ab1fabe [0,1,0,1,0,0|1,0,0]=3 15357 B11R1.78 F[C@H]1C[C@H](C1)CNCCCCl b2d7bd6a5282dd4a59da389ad432b4a2 [0,1,0,1,0,0|2,0,0]=4 15358 B11R1.78 F[C@H]1C[C@H](C1)COCCCS c6d752d37b2a53c458247b32594d279f [0,1,0,1,0,0|1,0,0]=3 15359 B11R1.78 N#CCCCOC1CC(C1)F 50f9d5ddf6d316a6d412c33f21f7d86f [0,1,0,1,0,0|1,0,1]=4 15360 B11R1.78 N#CCCCO[C@H]1C[C@@H](C1)F fe53cac6269fd25176a0e62ed6147e0f [0,1,0,1,0,0|1,0,1]=4 15361 B11R1.78 N#CCCCO[C@H]1C[C@H](C1)F a4d2ca4d7f8ca688077c93bf159b4766 [0,1,0,1,0,0|1,0,1]=4 15362 B11R1.78 N#CCCOCC1CC(C1)F a535c08531144a0791304a827c0d15aa [0,1,0,1,0,0|1,0,1]=4 15363 B11R1.78 N#CCCOC[C@H]1C[C@H](C1)F bfdcd6d2a39e770cd3613a76cff4f184 [0,1,0,1,0,0|1,0,1]=4 15364 B11R1.78 O=C1CC(C1)COCCCF 61598a30d8fa6ff80050f33478a2ee34 [0,1,0,1,0,0|1,0,1]=4 15365 B11R1.78 O=C1CC(C1)COCCCS dd6cc90d4bc4c35e4bcd4152f15ab924 [0,1,0,1,0,0|1,0,1]=4 15366 B11R1.78 O=C1CC(C1)OCCCCF 5cc151e86f032781d0be03cd809b21d8 [0,1,0,1,0,0|1,0,1]=4 15367 B11R1.78 O=CCCCOC1CC(C1)F 6c79b2edce4564e72738d422e8d87201 [0,1,0,1,0,0|1,0,1]=4 15368 B11R1.78 O=CCCCO[C@H]1C[C@@H](C1)F 0368d2e306cc3ee6114b18cb98c12dec [0,1,0,1,0,0|1,0,1]=4 15369 B11R1.78 O=CCCCO[C@H]1C[C@H](C1)F 93a2aaab51eaf1e62a3093457db9568e [0,1,0,1,0,0|1,0,1]=4 15370 B11R1.78 O=CCCOCC1CC(C1)F cd9bb66642fc24bbfe4785ed018c4432 [0,1,0,1,0,0|1,0,1]=4 15371 B11R1.78 O=CCCOC[C@H]1C[C@H](C1)F 24e6cf294033d3dec9cb9c78bf8b0bb3 [0,1,0,1,0,0|1,0,1]=4 15372 B11R1.78 OC1CC(C1)CNCCCCl 3c26f7d757d686f607cb9d2f3d83d3b2 [0,1,0,1,0,0|2,0,0]=4 15373 B11R1.78 OC1CC(C1)CNCCCF db1aef53858109e962124a85709ccb3f [0,1,0,1,0,0|2,0,0]=4 15374 B11R1.78 OC1CC(C1)CNCCCS 142651bb2aad5a9c083f061daf1b5919 [0,1,0,1,0,0|2,0,0]=4 15375 B11R1.78 OC1CC(C1)NCCCCCl 931a1496c7522769713b8c9b799b6999 [0,1,0,1,0,0|2,0,0]=4 15376 B11R1.78 OC1CC(C1)NCCCCF 163f63bca90d817555435146b6a1db3d [0,1,0,1,0,0|2,0,0]=4 15377 B11R1.78 OC1CC(C1)NCCCCS c0f907869ffe1acdbc1d380ee8ed2cdc [0,1,0,1,0,0|2,0,0]=4 15378 B11R1.78 OCCCCNC1CC(C1)F 700fbf0f54396beae4fd4be267693bda [0,1,0,1,0,0|2,0,0]=4 15379 B11R1.78 OCCCCNC1CC(C1)O b7ce95fb08acc180449af025cc35ddb1 [0,1,0,1,0,0|2,0,0]=4 15380 B11R1.78 OCCCCN[C@H]1C[C@@H](C1)F ea0deb89240bbea38a0454f4ed9cfcff [0,1,0,1,0,0|2,0,0]=4 15381 B11R1.78 OCCCCN[C@H]1C[C@@H](C1)O 05281facb8e5edb97225389bbabecd69 [0,1,0,1,0,0|2,0,0]=4 15382 B11R1.78 OCCCCN[C@H]1C[C@H](C1)F 360fc3b36f2a06d42d91ac554245ce88 [0,1,0,1,0,0|2,0,0]=4 15383 B11R1.78 OCCCCN[C@H]1C[C@H](C1)O b1362683ca4249e8858d372dd85eee0c [0,1,0,1,0,0|2,0,0]=4 15384 B11R1.78 OCCCNCC1CC(C1)O d1123262ced16ea986b14643142bae11 [0,1,0,1,0,0|2,0,0]=4 15385 B11R1.78 OCCCNC[C@H]1C[C@@H](C1)O fd51d6a88cbba317c153f0d35112c016 [0,1,0,1,0,0|2,0,0]=4 15386 B11R1.78 OCCCNC[C@H]1C[C@H](C1)F 33fab463746298ab51196949d162b96a [0,1,0,1,0,0|2,0,0]=4 15387 B11R1.78 OCCCNC[C@H]1C[C@H](C1)O eba930fb5d292bd8913872c52303b9c3 [0,1,0,1,0,0|2,0,0]=4 15388 B11R1.78 O[C@H]1C[C@@H](C1)CNCCCF 5858fd4a46d00bea11a8855a2cd01916 [0,1,0,1,0,0|2,0,0]=4 15389 B11R1.78 O[C@H]1C[C@@H](C1)CNCCCS 854eddb64870b39f29dc9bc536be67ad [0,1,0,1,0,0|2,0,0]=4 15390 B11R1.78 O[C@H]1C[C@@H](C1)NCCCCF c34ec792a4ef5b617509008e7d296660 [0,1,0,1,0,0|2,0,0]=4 15391 B11R1.78 O[C@H]1C[C@H](C1)CNCCCF 3758369d89364e7350948698a649cf84 [0,1,0,1,0,0|2,0,0]=4 15392 B11R1.78 O[C@H]1C[C@H](C1)CNCCCS f75717d0507a2a230c403c9e6b282f3e [0,1,0,1,0,0|2,0,0]=4 15393 B11R1.78 O[C@H]1C[C@H](C1)NCCCCF 773135769bef301fc52111293e417e75 [0,1,0,1,0,0|2,0,0]=4 15394 B11R1.81 CCCN1CCC(CC1C)C af05c7cedc2bd2c9947952e668b2ceb0 [0,1,0,1,0,0|2,0,0]=4 15395 B11R1.81 CCCN1CCC(CC1C)O 357d62acaf7099a8efcb1fb1e4bd108e [0,1,0,1,0,0|2,0,0]=4 15396 B11R1.81 CCCN1CC[C@@H](C[C@@H]1C)C ed126316784abdf29601a5f8613d578a [0,1,0,1,0,0|2,0,0]=4 15397 B11R1.81 CCCN1CC[C@@H](C[C@H]1C)O 5458cb629e10de9c8c626e4dc77db999 [0,1,0,1,0,0|2,0,0]=4 15398 B11R1.81 CCCN1CC[C@H](C[C@H]1C)C 2da60e15c4f5d201e57396524e27d319 [0,1,0,1,0,0|2,0,0]=4 15399 B11R1.81 CCCN1CC[C@H](C[C@H]1C)O 1f6285ec0e920b1713794d7c7510bbd0 [0,1,0,1,0,0|2,0,0]=4 15400 B11R1.81 CCOC1CCC(CC1C)C 5246aeca18c911a03ccd65c74b371681 [0,1,0,1,0,0|2,0,0]=4 15401 B11R1.110 CCCN1CCCCC(C1)O 2f2cb2c7cbe11e5b7ef88d61c562732e [0,1,0,1,0,0|2,0,0]=4 15402 B11R1.110 CCCN1CCCC[C@H](C1)O 83e8bcc0472a8fbdf816d8033ef8921a [0,1,0,1,0,0|2,0,0]=4 15403 B11R1.110 CCNC1CCCCN(C1)C 52baa4667fab212940ffd79858ea1706 [0,1,0,1,0,0|2,0,0]=4 15404 B11R1.110 CCNC1COCCN(C1)C cdb051d386037309813f3123d737e2e8 [0,1,0,1,0,0|2,0,0]=4 15405 B11R1.110 CCN[C@@H]1CCCCN(C1)C d255ff243d48a272899cb56cd0e164e2 [0,1,0,1,0,0|2,0,0]=4 15406 B11R1.110 CCN[C@@H]1COCCN(C1)C 57c9d95b9e314af0edf6e54cb99f5e76 [0,1,0,1,0,0|2,0,0]=4 15407 B11R1.110 CCN[C@H]1CCCCN(C1)C 67f8eca43e53405c189871d8fad51923 [0,1,0,1,0,0|2,0,0]=4 15408 B11R1.110 CCN[C@H]1COCCN(C1)C 836ce7cd39ee980229dad27147ee02e1 [0,1,0,1,0,0|2,0,0]=4 15409 B11R1.110 CCOC1COCCN(C1)C d7ed3d6df70599e7a2b3589953749a57 [0,1,0,1,0,0|2,0,0]=4 15410 B11R1.110 CCO[C@@H]1COCCN(C1)C 20ccc397b84e3ef1591f43af2eb554a7 [0,1,0,1,0,0|2,0,0]=4 15411 B11R1.110 CCO[C@H]1COCCN(C1)C faca91db4c53dee20297aa3bf1ac706d [0,1,0,1,0,0|2,0,0]=4 15412 B11R1.117 CCCN1CCCCCCC1 328dcd98ace70168763c8b5439e5b7fa [0,1,0,1,0,0|1,0,0]=3 15413 B11R1.117 CCNC1/C=C\CCCCC1 d336d57c3ba520e6ee9fd53bada66f35 [0,1,0,1,0,0|1,0,1]=4 15414 B11R1.117 CCNC1CCCCCCC1 50d835a0fc710efafe0ab4df29e9a1e9 [0,1,0,1,0,0|1,0,0]=3 15415 B11R1.117 CCOC1/C=C/CCCCC1 abf2246196c4ef31596e50aa932027ef [0,1,0,1,0,0|1,0,1]=4 15416 B11R1.117 CCOC1/C=C\CCCCC1 4423aca8181b7315cb102110ae25321b [0,1,0,1,0,0|1,0,1]=4 15417 B11R1.117 CCOC1C=CCCCCC1 4c0498546d74402c1ac2d3026b0d1471 [0,1,0,1,0,0|1,0,1]=4 15418 B11R1.117 CCOC1CC/C=C/CCC1 dfbedb66b3c9957dc849e0852c7e305d [0,1,0,1,0,0|1,0,1]=4 15419 B11R1.117 CCOC1CC/C=C\CCC1 63e275c4a61ab775429a8cd0245cc2d7 [0,1,0,1,0,0|1,0,1]=4 15420 B11R1.117 CCOC1CCC=CCCC1 80d261f8a890bfa74e09757eb2e73342 [0,1,0,1,0,0|1,0,1]=4 15421 B11R1.117 CCOC1CCCCCCC1 8de234ac4018711f0809089a1dbd7f4d [0,1,0,1,0,0|1,0,0]=3 15422 B11R1.117 CCO[C@@H]1CCC=CCCC1 855fa20408fc85ff54969a954670dd51 [0,1,0,1,0,0|1,0,1]=4 15423 B11R1.117 CCO[C@H]1/C=C/CCCCC1 35fa0159511dcaa848d796c12724494e [0,1,0,1,0,0|1,0,1]=4 15424 B11R1.117 CCO[C@H]1/C=C\CCCCC1 9faa883b1b12ae88d72c6724171fa26a [0,1,0,1,0,0|1,0,1]=4 15425 B11R1.117 COCN1CCCCCCC1 c8c298b463fa5cff4681e3337e74f538 [0,1,0,1,0,0|2,0,0]=4 15426 B11R1.117 CSCN1CCCCCCC1 3eaa6f671e78ef71f082444ae5ae077c [0,1,0,1,0,0|2,0,0]=4 15427 B11R1.117 FCCN1CCCCCCC1 3b0ce379f59c6594558643d5b15ca0aa [0,1,0,1,0,0|2,0,0]=4 15428 B11R1.117 FCNC1CCCCCCC1 7400798fb063a3f04c818515ca61aa4d [0,1,0,1,0,0|2,0,0]=4 15429 B11R1.117 FCOC1CCCCCCC1 a2ade3c88ec76dedf0ca21d312063bec [0,1,0,1,0,0|2,0,0]=4 15430 B11R1.117 OCCN1CCCCCCC1 8113da9194205273e686fb6bd2d23931 [0,1,0,1,0,0|2,0,0]=4 15431 B11R1.117 OCNC1CCCCCCC1 b3518fc0dbe59b5227ec4eb3c1d3682c [0,1,0,1,0,0|2,0,0]=4 15432 B11R1.117 SCCN1CCCCCCC1 819d5dd84d40fb687e4eba9ae1b91cc4 [0,1,0,1,0,0|2,0,0]=4 15433 B11R1.127 CCCC1CCN(C1)CCC 95ef48d9e03e38a1751852d34b8a2ceb [0,1,0,1,0,0|2,0,0]=4 15434 B11R1.135 CCCN1CCCC(CC1)C 663566a23b74426417d12aabf45b9bfa [0,1,0,1,0,0|2,0,0]=4 15435 B11R1.135 CCCN1CCCC(CC1)F faf0da3109eb6f2fd5a3d0053c219bf3 [0,1,0,1,0,0|2,0,0]=4 15436 B11R1.135 CCCN1CCCC(CC1)O 4c86754480f40db775f195a0f9ba7aab [0,1,0,1,0,0|2,0,0]=4 15437 B11R1.135 CCCN1CCC[C@@H](CC1)O b3caec0ad5c2de10108d5139d9be9cac [0,1,0,1,0,0|2,0,0]=4 15438 B11R1.135 CCCN1CCC[C@H](CC1)O fbc52e898fec7df4e2b768540ab3c72d [0,1,0,1,0,0|2,0,0]=4 15439 B11R1.180 C#CCCCN1CCCC1C 0e23e2744e425ca418de9a3573ac7684 [0,1,0,1,0,0|1,0,1]=4 15440 B11R1.180 C#CCCCN1CCC[C@@H]1C 1845e5fed53daa3f8003663edfd1bff9 [0,1,0,1,0,0|1,0,1]=4 15441 B11R1.180 C#CCCCN1CCC[C@H]1C e2005ef09636bbe19ff469b5eb9bf452 [0,1,0,1,0,0|1,0,1]=4 15442 B11R1.180 C#CCCOC1CCCC1C 0e4d34570fe03aff480688e46054017d [0,1,0,1,0,0|0,0,2]=4 15443 B11R1.180 C#CCCOC1COCC1C fec8cdadc78533cef0017ebfe1653d74 [0,1,0,1,0,0|0,0,2]=4 15444 B11R1.180 C#CCCO[C@@H]1CCC[C@@H]1C a1863dc06443efead9f3f4f57b9e013d [0,1,0,1,0,0|0,0,2]=4 15445 B11R1.180 C#CCCO[C@@H]1CCC[C@H]1C 564dd5d64e539e9e5ff1092a614b0309 [0,1,0,1,0,0|0,0,2]=4 15446 B11R1.180 C#CCCO[C@@H]1CCC[C@H]1F a090c386b8d435d69c1bd12a57e7e19f [0,1,0,1,0,0|0,0,2]=4 15447 B11R1.180 C#CCCO[C@@H]1COC[C@@H]1C d1040602940bd5c2a5727800aecd1cfe [0,1,0,1,0,0|0,0,2]=4 15448 B11R1.180 C#CCCO[C@H]1CCC[C@@H]1C 419827f4578bfa6efcafa7063d70cbe7 [0,1,0,1,0,0|0,0,2]=4 15449 B11R1.180 C#CCCO[C@H]1CCC[C@H]1C a3f828756a9226b1ba95732a656aab45 [0,1,0,1,0,0|0,0,2]=4 15450 B11R1.180 C#CCCO[C@H]1COC[C@@H]1C 85d4024df4701d8a47c59a06f51b930a [0,1,0,1,0,0|0,0,2]=4 15451 B11R1.180 C#CCCO[C@H]1COC[C@H]1C 3d425e509fdcd8aa494e4b70d3eb46fd [0,1,0,1,0,0|0,0,2]=4 15452 B11R1.180 C#CCOCC1OCCC1C 4efc3d76df9ab1bb8aae6f5e2823546e [0,1,0,1,0,0|0,0,2]=4 15453 B11R1.180 C/C=C/COC1CCCC1C f14b65d135467ebf75b2c5f0dde6438a [0,1,0,1,0,0|0,0,2]=4 15454 B11R1.180 C/C=C/COC1COCC1C 0260255fdacc20aea41a75f183c58a22 [0,1,0,1,0,0|0,0,2]=4 15455 B11R1.180 C/C=C/CO[C@@H]1CCC[C@@H]1C 60a8408ce628f235ec450d67de8f40c5 [0,1,0,1,0,0|0,0,2]=4 15456 B11R1.180 C/C=C/CO[C@@H]1CCC[C@H]1C 4958320dc4ad1b2b6033a91c8da5e2a2 [0,1,0,1,0,0|0,0,2]=4 15457 B11R1.180 C/C=C/CO[C@@H]1CCC[C@H]1F f4f72e3620439cc52d140ef8787d0977 [0,1,0,1,0,0|0,0,2]=4 15458 B11R1.180 C/C=C/CO[C@@H]1COC[C@@H]1C d505e00fab96f66cb228b4d81abfb17d [0,1,0,1,0,0|0,0,2]=4 15459 B11R1.180 C/C=C/CO[C@H]1CCC[C@@H]1C 5e0a93ff30af4a3e722f5f711d577401 [0,1,0,1,0,0|0,0,2]=4 15460 B11R1.180 C/C=C/CO[C@H]1CCC[C@H]1C 3ff9d17212a951f29ee1f39caf8da739 [0,1,0,1,0,0|0,0,2]=4 15461 B11R1.180 C/C=C/CO[C@H]1COC[C@@H]1C fb52087a8c5057226f71406ec9f47144 [0,1,0,1,0,0|0,0,2]=4 15462 B11R1.180 C/C=C/CO[C@H]1COC[C@H]1C 06788e20565e78d65d535b23b96d66e8 [0,1,0,1,0,0|0,0,2]=4 15463 B11R1.180 C/C=C\COC1CCCC1C 0487d04407d11e9183986c61f80ebb70 [0,1,0,1,0,0|0,0,2]=4 15464 B11R1.180 C/C=C\COC1COCC1C 7136579567930f890e708778127d318e [0,1,0,1,0,0|0,0,2]=4 15465 B11R1.180 C/C=C\CO[C@@H]1CCC[C@@H]1C 06b8edf8e2813b026a3b9cbc8598f4d7 [0,1,0,1,0,0|0,0,2]=4 15466 B11R1.180 C/C=C\CO[C@@H]1CCC[C@H]1C d831bcdd1fcc541f3350d00669274629 [0,1,0,1,0,0|0,0,2]=4 15467 B11R1.180 C/C=C\CO[C@@H]1CCC[C@H]1F b816faa08ce395d0291dc0395ac22e34 [0,1,0,1,0,0|0,0,2]=4 15468 B11R1.180 C/C=C\CO[C@@H]1COC[C@@H]1C dc42758fa29a5aa08e3adf4351cbbe0d [0,1,0,1,0,0|0,0,2]=4 15469 B11R1.180 C/C=C\CO[C@H]1CCC[C@@H]1C dd0cf210517d230bcab3f8d2208d4959 [0,1,0,1,0,0|0,0,2]=4 15470 B11R1.180 C/C=C\CO[C@H]1CCC[C@H]1C 0acf76a0d0a82e7797697ac4415bcb62 [0,1,0,1,0,0|0,0,2]=4 15471 B11R1.180 C/C=C\CO[C@H]1COC[C@@H]1C 88149656973965d6e294924b988febc6 [0,1,0,1,0,0|0,0,2]=4 15472 B11R1.180 C/C=C\CO[C@H]1COC[C@H]1C 0384c157ffc85a5a46f85020d39c570d [0,1,0,1,0,0|0,0,2]=4 15473 B11R1.180 C=CCCCN1CCCC1C 9238d53b05948840e8546683d46e6432 [0,1,0,1,0,0|1,0,1]=4 15474 B11R1.180 C=CCCCN1CCC[C@@H]1C 66f27d47e38e72e204f4ecd45c097e9b [0,1,0,1,0,0|1,0,1]=4 15475 B11R1.180 C=CCCCN1CCC[C@H]1C e19cc8c47129a6f4f0a6e093a258f1c0 [0,1,0,1,0,0|1,0,1]=4 15476 B11R1.180 C=CCCOC1CCCC1C 0d70c2f943ce9820a024fba2b72e1910 [0,1,0,1,0,0|0,0,2]=4 15477 B11R1.180 C=CCCOC1COCC1C ee3378e13c57c2ea3a6a88b39b44cf1a [0,1,0,1,0,0|0,0,2]=4 15478 B11R1.180 C=CCCO[C@@H]1CCC[C@@H]1C 7d100af6c87a4099f34d7451335fd2a5 [0,1,0,1,0,0|0,0,2]=4 15479 B11R1.180 C=CCCO[C@@H]1CCC[C@H]1C 94deb109e660d3acfcb56c81da5b56f0 [0,1,0,1,0,0|0,0,2]=4 15480 B11R1.180 C=CCCO[C@@H]1CCC[C@H]1F f8f8c5e10988f6d3fc2149c1feb55bf9 [0,1,0,1,0,0|0,0,2]=4 15481 B11R1.180 C=CCCO[C@@H]1COC[C@@H]1C d5ed502bcf4971c55c1a8e9447efbf62 [0,1,0,1,0,0|0,0,2]=4 15482 B11R1.180 C=CCCO[C@H]1CCC[C@@H]1C 4f323a660cc7761468f95cc789e90643 [0,1,0,1,0,0|0,0,2]=4 15483 B11R1.180 C=CCCO[C@H]1CCC[C@H]1C a6cfcf672303cbe6c14d6832875b0087 [0,1,0,1,0,0|0,0,2]=4 15484 B11R1.180 C=CCCO[C@H]1COC[C@@H]1C a25d8fa75d31359a762a64b1218ffe34 [0,1,0,1,0,0|0,0,2]=4 15485 B11R1.180 C=CCCO[C@H]1COC[C@H]1C f6a1aefcb8255aeeee1f9b3b7fe27f66 [0,1,0,1,0,0|0,0,2]=4 15486 B11R1.180 C=CCOCC1OCCC1C 546550eb232a1f3f6f642617bc1364d9 [0,1,0,1,0,0|0,0,2]=4 15487 B11R1.180 CC#CCOC1CCCC1C ec77f0560d34b1cc014020c9ca039cf0 [0,1,0,1,0,0|0,0,2]=4 15488 B11R1.180 CC#CCOC1COCC1C 785c7771b3729c957d66ac33deba0a09 [0,1,0,1,0,0|0,0,2]=4 15489 B11R1.180 CC#CCO[C@@H]1CCC[C@@H]1C 759dbef3b7c7b69e50fa7dcf24f140b9 [0,1,0,1,0,0|0,0,2]=4 15490 B11R1.180 CC#CCO[C@@H]1CCC[C@H]1C 8ae95cd08b806172fee3ab9300b9a9a2 [0,1,0,1,0,0|0,0,2]=4 15491 B11R1.180 CC#CCO[C@@H]1COC[C@@H]1C 329feaa4a45c0f139355c4bbbeae5e5e [0,1,0,1,0,0|0,0,2]=4 15492 B11R1.180 CC#CCO[C@H]1CCC[C@@H]1C e12d9202b40e57b339dd744c180bf159 [0,1,0,1,0,0|0,0,2]=4 15493 B11R1.180 CC#CCO[C@H]1CCC[C@H]1C 68ae5520435add9aa9d4353ee064fd65 [0,1,0,1,0,0|0,0,2]=4 15494 B11R1.180 CC#CCO[C@H]1COC[C@@H]1C dcca35913badc16307c3e6b9ab080e9f [0,1,0,1,0,0|0,0,2]=4 15495 B11R1.180 CC#CCO[C@H]1COC[C@H]1C f19f54ea2246d8b25c8b2f03906493cb [0,1,0,1,0,0|0,0,2]=4 15496 B11R1.180 CC/C=C/CN1CCCC1C 4c5b655e79e3f4fbdf4f420a3122049a [0,1,0,1,0,0|1,0,1]=4 15497 B11R1.180 CC/C=C/CN1CCC[C@@H]1C ed4bb17962041fd6aa5ddbb2efcf7842 [0,1,0,1,0,0|1,0,1]=4 15498 B11R1.180 CC/C=C/CN1CCC[C@H]1C 0ba68089ba3f37c679502c085af76bed [0,1,0,1,0,0|1,0,1]=4 15499 B11R1.180 CC1CCCC1COCCF 8a0a4036012d661424e3aa77b5e234f0 [0,1,0,1,0,0|2,0,0]=4 15500 B11R1.180 CC1CCCC1COCCS e1e383c523cda14acba7c9c9a715d131 [0,1,0,1,0,0|2,0,0]=4 15501 B11R1.180 CC1CCCC1OCCC#N 151cad820ffc80426cb5acc681ad3b7e [0,1,0,1,0,0|1,0,1]=4 15502 B11R1.180 CC1CCCC1OCCC=O da85ffe665acc5ef29500c33b3dcb274 [0,1,0,1,0,0|1,0,1]=4 15503 B11R1.180 CC1CCCC1OCCCF 0d0aab9550e0bb0e859a8ac92f18cf22 [0,1,0,1,0,0|1,0,0]=3 15504 B11R1.180 CC1CCCC1OCCCS fb4a0e162598fabd8f8529c4572dc813 [0,1,0,1,0,0|1,0,0]=3 15505 B11R1.180 CC1CCCN1CCCC#N c7c228f6c25d791bf61f4aec289bcbe5 [0,1,0,1,0,0|1,0,1]=4 15506 B11R1.180 CC1CCCN1CCCC=O 91c33af55da6febd13caef2964a98b83 [0,1,0,1,0,0|1,0,1]=4 15507 B11R1.180 CC1CCCN1CCCCF 8f258d13e64349f4c96db3fe0672d34a [0,1,0,1,0,0|1,0,0]=3 15508 B11R1.180 CC1CCCN1CCCCO a673de70102c9ce1017d52deb044963b [0,1,0,1,0,0|1,0,0]=3 15509 B11R1.180 CC1CCOC1COCC#N 1c442034c31ab76447486b2f3e043847 [0,1,0,1,0,0|1,0,1]=4 15510 B11R1.180 CC1CCOC1COCC=O 3d37c27712a331992936dc7a2596c23d [0,1,0,1,0,0|1,0,1]=4 15511 B11R1.180 CC1CCOC1COCCF 7d56ae2d9a90b995c71c5a31cd114a07 [0,1,0,1,0,0|1,0,0]=3 15512 B11R1.180 CC1CCOC1COCCS 0ae89a8a61952cd06a98718bf2c884e9 [0,1,0,1,0,0|1,0,0]=3 15513 B11R1.180 CC1COCC1OCCC#N f9417b0cbd502f298c8d4061efb578f2 [0,1,0,1,0,0|1,0,1]=4 15514 B11R1.180 CC1COCC1OCCC=O 9f5f7312ca02590f301f54ce76cbadce [0,1,0,1,0,0|1,0,1]=4 15515 B11R1.180 CC1COCC1OCCCF 2b1037fb9432a157d5fe093a5ad0b8c4 [0,1,0,1,0,0|1,0,0]=3 15516 B11R1.180 CC1COCC1OCCCS f555ad438ef3b7f1009b8f0550cdd7d9 [0,1,0,1,0,0|1,0,0]=3 15517 B11R1.180 CC1SCCN1CCCCF f477bd7340118a65298128eacea34e03 [0,1,0,1,0,0|2,0,0]=4 15518 B11R1.180 CC1SCCN1CCCCO 14a0e3abeb7d96e72cf675d178421fee [0,1,0,1,0,0|2,0,0]=4 15519 B11R1.180 CCC#CCN1CCCC1C 8401aa31d0cd77e674e5a24c2e5f7e6e [0,1,0,1,0,0|1,0,1]=4 15520 B11R1.180 CCC#CCN1CCC[C@@H]1C 77544d92230b7ac738017236fda5a4ce [0,1,0,1,0,0|1,0,1]=4 15521 B11R1.180 CCC#CCN1CCC[C@H]1C 9dcdee1efdce4cc64a141dca98bfc8b4 [0,1,0,1,0,0|1,0,1]=4 15522 B11R1.180 CCCCCN1CCCC1C 07fc8cec62763b016fc411bb35abd56c [0,1,0,1,0,0|1,0,0]=3 15523 B11R1.180 CCCCCN1CCCC1O c398c8293942e8b6d8331839eac42dcd [0,1,0,1,0,0|1,0,0]=3 15524 B11R1.180 CCCCCN1CCC[C@@H]1C db1500b86215c83121a9d926faa49684 [0,1,0,1,0,0|1,0,0]=3 15525 B11R1.180 CCCCCN1CCC[C@H]1C 1fbacd4c0d5aee021f8867b6cfe55a36 [0,1,0,1,0,0|1,0,0]=3 15526 B11R1.180 CCCCCN1CCSC1C 5792ddf5488322652750728329f008de [0,1,0,1,0,0|1,0,0]=3 15527 B11R1.180 CCCCNC1CCCC1=O 39f9ee5b59b883e97393975a970e10d4 [0,1,0,1,0,0|1,0,1]=4 15528 B11R1.180 CCCCNC1CCCC1O 246f31f8097c61c8292d23ee442adf29 [0,1,0,1,0,0|1,0,0]=3 15529 B11R1.180 CCCCNC1COCC1O 7285d01f7bdb53a2098a9a5ef9a550fe [0,1,0,1,0,0|2,0,0]=4 15530 B11R1.180 CCCCN[C@@H]1CCC[C@@H]1O 8e8e24cd1c7e98f8ca1808e722a25c2b [0,1,0,1,0,0|1,0,0]=3 15531 B11R1.180 CCCCN[C@@H]1CCC[C@H]1O 702179409785dfcf937fe4220b12fea6 [0,1,0,1,0,0|1,0,0]=3 15532 B11R1.180 CCCCN[C@@H]1COC[C@@H]1O 3be9161d363b6b88ecf77ff955fe3328 [0,1,0,1,0,0|2,0,0]=4 15533 B11R1.180 CCCCN[C@@H]1COC[C@H]1O 42f48d4aaf92a54c37fda1198c14c0f7 [0,1,0,1,0,0|2,0,0]=4 15534 B11R1.180 CCCCN[C@H]1CCC[C@@H]1O 6d73b740216fb5fde874206510ff282a [0,1,0,1,0,0|1,0,0]=3 15535 B11R1.180 CCCCN[C@H]1CCC[C@H]1O 2945bb9484d0a3e284def0f3103a9fff [0,1,0,1,0,0|1,0,0]=3 15536 B11R1.180 CCCCN[C@H]1COC[C@@H]1O 970641a556d916f0b91c0c3237227d79 [0,1,0,1,0,0|2,0,0]=4 15537 B11R1.180 CCCCN[C@H]1COC[C@H]1F e4da4a8f35b76ebad647741352707b04 [0,1,0,1,0,0|2,0,0]=4 15538 B11R1.180 CCCCN[C@H]1COC[C@H]1O f8349fe28eb51d387d1b178fe8d76308 [0,1,0,1,0,0|2,0,0]=4 15539 B11R1.180 CCCCOC1CCC=C1Br 8a3cb50e7aecbb405735ad686b7f8b9f [0,1,0,1,0,0|0,0,2]=4 15540 B11R1.180 CCCCOC1CCCC1=O daa71a749c8ab0736df54ca1e1a12aa6 [0,1,0,1,0,0|0,0,1]=3 15541 B11R1.180 CCCCOC1CCCC1C bbf695826b5d2224780e8ace71866a13 [0,1,0,1,0,0|0,0,0]=2 15542 B11R1.180 CCCCOC1CCNC1=O 7b231c5ea57dcbc2aa7adddae086cda9 [0,1,0,1,0,0|1,0,1]=4 15543 B11R1.180 CCCCOC1CCOC1=O 6b1a411a75446402594aca66d981812a [0,1,0,1,0,0|1,0,1]=4 15544 B11R1.180 CCCCOC1COCC1C a4da6e6274e3518c98c48ca6af9757dc [0,1,0,1,0,0|0,0,0]=2 15545 B11R1.180 CCCCOC1COCC1F 755df1b896b47b977a697d7e043418e7 [0,1,0,1,0,0|1,0,0]=3 15546 B11R1.180 CCCCO[C@@H]1CCC[C@@H]1C d890bbf3094eab75ec9e53a337ab9861 [0,1,0,1,0,0|0,0,0]=2 15547 B11R1.180 CCCCO[C@@H]1CCC[C@H]1C bedcbc9e69231ec35eec054d3fd826e7 [0,1,0,1,0,0|0,0,0]=2 15548 B11R1.180 CCCCO[C@@H]1CCC[C@H]1F 0449d712f0f96169cbd7493bb569bb28 [0,1,0,1,0,0|0,0,0]=2 15549 B11R1.180 CCCCO[C@@H]1CCNC1=O cb2fa50a05ea794d6edb8e207c80ecd5 [0,1,0,1,0,0|1,0,1]=4 15550 B11R1.180 CCCCO[C@@H]1CCOC1=O 7f089f9be002c56d4ed21d2753984a9f [0,1,0,1,0,0|1,0,1]=4 15551 B11R1.180 CCCCO[C@@H]1COC[C@@H]1C a258545cd922242c7aa1f5623d78c3ab [0,1,0,1,0,0|0,0,0]=2 15552 B11R1.180 CCCCO[C@@H]1COC[C@H]1F 46222c64ac0a5be20fbb683dfa6e4d0f [0,1,0,1,0,0|1,0,0]=3 15553 B11R1.180 CCCCO[C@H]1CCC[C@@H]1C 601ed2d4bdd4b49048d672a0c4e56ec7 [0,1,0,1,0,0|0,0,0]=2 15554 B11R1.180 CCCCO[C@H]1CCC[C@H]1C 01268c10d1c93b43c7fb3e48946ca6b2 [0,1,0,1,0,0|0,0,0]=2 15555 B11R1.180 CCCCO[C@H]1CCNC1=O 8cbf41402c4456eeb8d0823b203c93b8 [0,1,0,1,0,0|1,0,1]=4 15556 B11R1.180 CCCCO[C@H]1CCOC1=O 3b100f447983d8c65cd8accc2947ac67 [0,1,0,1,0,0|1,0,1]=4 15557 B11R1.180 CCCCO[C@H]1COC[C@@H]1C 870e7d7c0c446e65beadb490a3cf1382 [0,1,0,1,0,0|0,0,0]=2 15558 B11R1.180 CCCCO[C@H]1COC[C@H]1C e2b410c3a3ad87058b54b5815a17229c [0,1,0,1,0,0|0,0,0]=2 15559 B11R1.180 CCCCO[C@H]1COC[C@H]1F 53ed5d34061494f4088e651ef6086680 [0,1,0,1,0,0|1,0,0]=3 15560 B11R1.180 CCCNCC1CCCC1O 92cff7131ea3a21e6f1efd4706322900 [0,1,0,1,0,0|2,0,0]=4 15561 B11R1.180 CCCNCC1CCCN1C 9be14da124e482d531a6135cc5787428 [0,1,0,1,0,0|2,0,0]=4 15562 B11R1.180 CCCNCC1COCC1C 3bd82b590f8d4ffaf62489734fb544b3 [0,1,0,1,0,0|2,0,0]=4 15563 B11R1.180 CCCNC[C@@H]1CCCN1C 1d7cd111be46e158a3d779693610a34f [0,1,0,1,0,0|2,0,0]=4 15564 B11R1.180 CCCNC[C@H]1CCCN1C 32fc14a009b93787be7d7dc405d038ae [0,1,0,1,0,0|2,0,0]=4 15565 B11R1.180 CCCOCC1CCCC1C 118ed8d287625874ba26030881e3da78 [0,1,0,1,0,0|1,0,0]=3 15566 B11R1.180 CCCOCC1CCCN1C bf8e443012ae9dc1d87b802b881d0e7f [0,1,0,1,0,0|2,0,0]=4 15567 B11R1.180 CCCOCC1COCC1C 553e5451c849fbb57a33ed086734d820 [0,1,0,1,0,0|2,0,0]=4 15568 B11R1.180 CCCOCC1OCCC1C 57feccde124dd0fb0c06be2cf8c20256 [0,1,0,1,0,0|0,0,0]=2 15569 B11R1.180 CCCOC[C@@H]1CCCN1C 4eaaca3fec96583d7f11678f9d67e935 [0,1,0,1,0,0|2,0,0]=4 15570 B11R1.180 CCCOC[C@@H]1CCC[C@H]1F eaf7c020b285e2fbc01d608fed6ac578 [0,1,0,1,0,0|2,0,0]=4 15571 B11R1.180 CCCOC[C@@H]1CCO[C@@H]1C 6bc16d6e28a51845c97a69d0e0cc4eae [0,1,0,1,0,0|2,0,0]=4 15572 B11R1.180 CCCOC[C@H]1CCCN1C 3b4dfbc6f049122810edfeee80233f50 [0,1,0,1,0,0|2,0,0]=4 15573 B11R1.180 CCNCCC1CCCN1C 8dd87623ed8ce203aec3094aca5d8d00 [0,1,0,1,0,0|2,0,0]=4 15574 B11R1.180 CCNCC[C@@H]1CCCN1C c400f1373ed29c6a36e401acf31cf6f7 [0,1,0,1,0,0|2,0,0]=4 15575 B11R1.180 CCNCC[C@H]1CCCN1C 4f78b80ca36916acb38782523b9d13d9 [0,1,0,1,0,0|2,0,0]=4 15576 B11R1.180 CCOCCC1CCCN1C 2ce48a83ef6a23ca1f01db7eef6b80ad [0,1,0,1,0,0|2,0,0]=4 15577 B11R1.180 CCOCCN1CCCC1C 760d865391a339b0ded70d288518fa24 [0,1,0,1,0,0|1,0,0]=3 15578 B11R1.180 CCOCCN1CCCC1O 92f7f3bdbdb1b8528921b6f1e481006c [0,1,0,1,0,0|2,0,0]=4 15579 B11R1.180 CCOCCN1CCC[C@@H]1C 2f118b7b1a1ef0f4e0a9ae1f47599506 [0,1,0,1,0,0|1,0,0]=3 15580 B11R1.180 CCOCCN1CCC[C@H]1C 23d44924f918a7dd2af2633224aa0054 [0,1,0,1,0,0|1,0,0]=3 15581 B11R1.180 CCOCCN1CCSC1C 95b3d4ec7115806ade49d01227a8ad9a [0,1,0,1,0,0|2,0,0]=4 15582 B11R1.180 CCOCC[C@@H]1CCCN1C 9c9a3b3a307be5c9f7e73141f3a945ac [0,1,0,1,0,0|2,0,0]=4 15583 B11R1.180 CCOCC[C@H]1CCCN1C 34b7fadfc7a279e2ef84b7a8ef3f0a76 [0,1,0,1,0,0|2,0,0]=4 15584 B11R1.180 CCOCNC1CCCC1O 705cc34b9b98a13ea1ec8acb3f1589c7 [0,1,0,1,0,0|2,0,0]=4 15585 B11R1.180 CCOCN[C@@H]1CCC[C@@H]1O 8d81df3ef210ec3b35c31a545c8d6a72 [0,1,0,1,0,0|2,0,0]=4 15586 B11R1.180 CCOCN[C@@H]1CCC[C@H]1O f4928477b5d2335cfa930c78ea6d72b5 [0,1,0,1,0,0|2,0,0]=4 15587 B11R1.180 CCOCN[C@H]1CCC[C@@H]1O ce58c76563da892dc3641548138dc555 [0,1,0,1,0,0|2,0,0]=4 15588 B11R1.180 CCOCN[C@H]1CCC[C@H]1O e9c21ff612f822037990ccbf0c1bb67e [0,1,0,1,0,0|2,0,0]=4 15589 B11R1.180 CCOCOC1CCCC1C 82532d0186bc57a1bf449bf270222dfd [0,1,0,1,0,0|1,0,0]=3 15590 B11R1.180 CCOCOC1COCC1C c7e754431903a0528ef72509235658a0 [0,1,0,1,0,0|1,0,0]=3 15591 B11R1.180 CCOCOC1COCC1F ebd1d9e0fa9c7208ad7d3a29c147c1ee [0,1,0,1,0,0|2,0,0]=4 15592 B11R1.180 CCOCO[C@@H]1CCC[C@@H]1C 7a847edba406956de20e06db3a6f06e5 [0,1,0,1,0,0|1,0,0]=3 15593 B11R1.180 CCOCO[C@@H]1CCC[C@H]1C 2c5205e79dd884c53692d579f45bd07c [0,1,0,1,0,0|1,0,0]=3 15594 B11R1.180 CCOCO[C@@H]1CCC[C@H]1F cf5a37d71017cc3c25f8f3eb9514aec7 [0,1,0,1,0,0|1,0,0]=3 15595 B11R1.180 CCOCO[C@@H]1COC[C@@H]1C 5afd407af62f098680f29d8388875bcf [0,1,0,1,0,0|1,0,0]=3 15596 B11R1.180 CCOCO[C@@H]1COC[C@H]1F 41ef1da9fc4c85bd43ac637b37b831b7 [0,1,0,1,0,0|2,0,0]=4 15597 B11R1.180 CCOCO[C@H]1CCC[C@@H]1C bed5b73420a076d49a5ae32e4bcedaf3 [0,1,0,1,0,0|1,0,0]=3 15598 B11R1.180 CCOCO[C@H]1CCC[C@H]1C f5dde802a553d1e934e0723ae5d95477 [0,1,0,1,0,0|1,0,0]=3 15599 B11R1.180 CCOCO[C@H]1COC[C@@H]1C d4126c1a4fda8298084b2e29ce04a725 [0,1,0,1,0,0|1,0,0]=3 15600 B11R1.180 CCOCO[C@H]1COC[C@H]1C a99a62bd7fd25af25e67ee73fe6c502f [0,1,0,1,0,0|1,0,0]=3 15601 B11R1.180 CCOCO[C@H]1COC[C@H]1F 20eeed03ecb45cbbfc9cef62016954e4 [0,1,0,1,0,0|2,0,0]=4 15602 B11R1.180 CCSCCN1CCCC1C c544a5623a4df285ff525512c883f004 [0,1,0,1,0,0|1,0,0]=3 15603 B11R1.180 CCSCCN1CCCC1O fe9b87538d9b65140960457585a2766f [0,1,0,1,0,0|2,0,0]=4 15604 B11R1.180 CCSCCN1CCC[C@@H]1C 2934eff3fd01c080b05ca78657294b86 [0,1,0,1,0,0|1,0,0]=3 15605 B11R1.180 CCSCCN1CCC[C@H]1C 704f35b7c135f9f06782547df893bf93 [0,1,0,1,0,0|1,0,0]=3 15606 B11R1.180 COCCCN1CCCC1C cd85f7e80148e4eb10aadddbc975e350 [0,1,0,1,0,0|1,0,0]=3 15607 B11R1.180 COCCCN1CCCC1O 957952848228a7974cfeb6c0b7ad4c6e [0,1,0,1,0,0|2,0,0]=4 15608 B11R1.180 COCCCN1CCC[C@@H]1C b91a533f815c2919a2747d1dd4c8e596 [0,1,0,1,0,0|1,0,0]=3 15609 B11R1.180 COCCCN1CCC[C@H]1C 7e99e49a1681835d074cc073a2270faa [0,1,0,1,0,0|1,0,0]=3 15610 B11R1.180 COCCCN1CCSC1C 44728fc3c63fadc02888a890318f987e [0,1,0,1,0,0|2,0,0]=4 15611 B11R1.180 COCCNC1CCCC1O e3689a5b580baa2fdabbf76bab5909e0 [0,1,0,1,0,0|2,0,0]=4 15612 B11R1.180 COCCN[C@@H]1CCC[C@@H]1O b6ff942dfd610a7cc1abea11ba78dff7 [0,1,0,1,0,0|2,0,0]=4 15613 B11R1.180 COCCN[C@@H]1CCC[C@H]1O 3f20d031584c03941562f506c959bdb3 [0,1,0,1,0,0|2,0,0]=4 15614 B11R1.180 COCCN[C@H]1CCC[C@@H]1O db9fc93a1cc46386941acba5d60b1cf1 [0,1,0,1,0,0|2,0,0]=4 15615 B11R1.180 COCCN[C@H]1CCC[C@H]1O 358077aff0cf20a93ff795f58653fff9 [0,1,0,1,0,0|2,0,0]=4 15616 B11R1.180 COCCOC1CCCC1=O 64d6773d3f7f907b500ddffb29b8e5c9 [0,1,0,1,0,0|1,0,1]=4 15617 B11R1.180 COCCOC1CCCC1C badefe44dc991bae0b65a92afd897017 [0,1,0,1,0,0|1,0,0]=3 15618 B11R1.180 COCCOC1COCC1C e8d5fd63f821f70a89ecb5b14e426972 [0,1,0,1,0,0|1,0,0]=3 15619 B11R1.180 COCCOC1COCC1F bf73139d365e546a974f54740c7acf42 [0,1,0,1,0,0|2,0,0]=4 15620 B11R1.180 COCCO[C@@H]1CCC[C@@H]1C d06276027fdcf78aa031bf15e75646ba [0,1,0,1,0,0|1,0,0]=3 15621 B11R1.180 COCCO[C@@H]1CCC[C@H]1C 8000046286af97c43a1fbc4f6fa0eefc [0,1,0,1,0,0|1,0,0]=3 15622 B11R1.180 COCCO[C@@H]1CCC[C@H]1F 0f32cd9c83e4f83e1d31074cc506770f [0,1,0,1,0,0|1,0,0]=3 15623 B11R1.180 COCCO[C@@H]1COC[C@@H]1C 63a61bce642f255d525c44f7e82e25a0 [0,1,0,1,0,0|1,0,0]=3 15624 B11R1.180 COCCO[C@@H]1COC[C@H]1F da618b13e7c4663db482f182162974b0 [0,1,0,1,0,0|2,0,0]=4 15625 B11R1.180 COCCO[C@H]1CCC[C@@H]1C b5f2ded7acdbefc4707f16c231509201 [0,1,0,1,0,0|1,0,0]=3 15626 B11R1.180 COCCO[C@H]1CCC[C@H]1C 0b3fcbd4a376690cfd7893ebdde78bfe [0,1,0,1,0,0|1,0,0]=3 15627 B11R1.180 COCCO[C@H]1COC[C@@H]1C 93b493e8b3f3725ccd6a66254d91393d [0,1,0,1,0,0|1,0,0]=3 15628 B11R1.180 COCCO[C@H]1COC[C@H]1C 06836db65b54571d2bfcf26700ab852c [0,1,0,1,0,0|1,0,0]=3 15629 B11R1.180 COCCO[C@H]1COC[C@H]1F abe389928645c8259159e338cba7a345 [0,1,0,1,0,0|2,0,0]=4 15630 B11R1.180 COCOCC1CCCC1C 2065198ebdc7732de499e333955aad3c [0,1,0,1,0,0|2,0,0]=4 15631 B11R1.180 COCOCC1OCCC1C 540c73777186eeb637d1e640e6efae32 [0,1,0,1,0,0|1,0,0]=3 15632 B11R1.180 CSCCCN1CCCC1C f4b57a5bd0fee4b8447fbcc9fd65b241 [0,1,0,1,0,0|1,0,0]=3 15633 B11R1.180 CSCCCN1CCCC1O 64bbbe7f1c23333d2af0b76e7561d34e [0,1,0,1,0,0|2,0,0]=4 15634 B11R1.180 CSCCCN1CCC[C@@H]1C 043111dc4fa2cca76b6855845f0abea8 [0,1,0,1,0,0|1,0,0]=3 15635 B11R1.180 CSCCCN1CCC[C@H]1C 20cf3324474c14b86e88c03a13f9228f [0,1,0,1,0,0|1,0,0]=3 15636 B11R1.180 CSCCCN1CCSC1C 05e2a540f24495eaf753b3f8a10ba6f4 [0,1,0,1,0,0|2,0,0]=4 15637 B11R1.180 CSCCNC1CCCC1O 54863a1dc9a32cf4d250a82fdffd08a8 [0,1,0,1,0,0|2,0,0]=4 15638 B11R1.180 CSCCN[C@@H]1CCC[C@@H]1O 50172978d5b3a9cee42ace94a21dc71e [0,1,0,1,0,0|2,0,0]=4 15639 B11R1.180 CSCCN[C@@H]1CCC[C@H]1O 1ed3fbc42f7771d9959e14fceb58d8af [0,1,0,1,0,0|2,0,0]=4 15640 B11R1.180 CSCCN[C@H]1CCC[C@@H]1O 4e3140a110663612ba4b4ad95e1d3eb9 [0,1,0,1,0,0|2,0,0]=4 15641 B11R1.180 CSCCN[C@H]1CCC[C@H]1O d81591c9c18517ccaddb839673316dd9 [0,1,0,1,0,0|2,0,0]=4 15642 B11R1.180 CSCCOC1CCCC1=O 3cf11c06e2768f681e866c19a4bfc663 [0,1,0,1,0,0|1,0,1]=4 15643 B11R1.180 CSCCOC1CCCC1C 5543426e67f1f47bf87e90b546c84064 [0,1,0,1,0,0|1,0,0]=3 15644 B11R1.180 CSCCOC1COCC1C 20e40ffd38b9e86a9d6e10c0feec3522 [0,1,0,1,0,0|1,0,0]=3 15645 B11R1.180 CSCCOC1COCC1F 77b7b5d5d3acf78a7cd11a43940129e1 [0,1,0,1,0,0|2,0,0]=4 15646 B11R1.180 CSCCO[C@@H]1CCC[C@@H]1C de9e01f6d0bb41df7dc0f33cc3f6f8ad [0,1,0,1,0,0|1,0,0]=3 15647 B11R1.180 CSCCO[C@@H]1CCC[C@H]1C 1ee9332d854079447ca5c5e94bd9e6ad [0,1,0,1,0,0|1,0,0]=3 15648 B11R1.180 CSCCO[C@@H]1CCC[C@H]1F 32f2634b23c3b47a55e4baa2943248f6 [0,1,0,1,0,0|1,0,0]=3 15649 B11R1.180 CSCCO[C@@H]1COC[C@@H]1C 865c01d90f008a133f4a281d065cadc7 [0,1,0,1,0,0|1,0,0]=3 15650 B11R1.180 CSCCO[C@@H]1COC[C@H]1F 76209290a8edf0c4fdf7ccd53d4b6da2 [0,1,0,1,0,0|2,0,0]=4 15651 B11R1.180 CSCCO[C@H]1CCC[C@@H]1C bbce509244253823c034577a02fadbc0 [0,1,0,1,0,0|1,0,0]=3 15652 B11R1.180 CSCCO[C@H]1CCC[C@H]1C aaaa1a3cd09090953a6c7bb2c326d2e4 [0,1,0,1,0,0|1,0,0]=3 15653 B11R1.180 CSCCO[C@H]1COC[C@@H]1C 26ba5ba5ae403661bd20233ecf0a9fa4 [0,1,0,1,0,0|1,0,0]=3 15654 B11R1.180 CSCCO[C@H]1COC[C@H]1C 01816be699b17c545344059d0b676ffe [0,1,0,1,0,0|1,0,0]=3 15655 B11R1.180 CSCCO[C@H]1COC[C@H]1F 3bf19034d2dd9c6c8cf8c23f4ed98db6 [0,1,0,1,0,0|2,0,0]=4 15656 B11R1.180 CSCOCC1CCCC1C a12fb8fc49b7d331c6764e7154a18bf1 [0,1,0,1,0,0|2,0,0]=4 15657 B11R1.180 CSCOCC1OCCC1C 5befe00e8e2adb066c4f35ca6534458c [0,1,0,1,0,0|1,0,0]=3 15658 B11R1.180 C[C@@H]1CCCN1CCCC#N 0394281a39a64d1765123121a69b9692 [0,1,0,1,0,0|1,0,1]=4 15659 B11R1.180 C[C@@H]1CCCN1CCCC=O d258c9a27ba02b857343fe021a4c4893 [0,1,0,1,0,0|1,0,1]=4 15660 B11R1.180 C[C@@H]1CCCN1CCCCF 409fd98b492d5074401fc716d44e19ae [0,1,0,1,0,0|1,0,0]=3 15661 B11R1.180 C[C@@H]1CCCN1CCCCO 52b2ae2b2f26360d62d1d124caf59cc6 [0,1,0,1,0,0|1,0,0]=3 15662 B11R1.180 C[C@@H]1CCC[C@@H]1OCCC#N 31255199438a080df6e0e097e1a0d0b5 [0,1,0,1,0,0|1,0,1]=4 15663 B11R1.180 C[C@@H]1CCC[C@@H]1OCCC=O b9178ef7fdad9c50d2cc0a7bf101ab36 [0,1,0,1,0,0|1,0,1]=4 15664 B11R1.180 C[C@@H]1CCC[C@@H]1OCCCF c7c0f76c996b63ba8795a91187f91c49 [0,1,0,1,0,0|1,0,0]=3 15665 B11R1.180 C[C@@H]1CCC[C@@H]1OCCCS f3fae79eda0a0707841901b375e81400 [0,1,0,1,0,0|1,0,0]=3 15666 B11R1.180 C[C@@H]1CCC[C@H]1OCCC#N 3d3000d4f41f69a6af95819d97e8783d [0,1,0,1,0,0|1,0,1]=4 15667 B11R1.180 C[C@@H]1CCC[C@H]1OCCC=O e7f245a0d11d37e9206a92a97b46b317 [0,1,0,1,0,0|1,0,1]=4 15668 B11R1.180 C[C@@H]1CCC[C@H]1OCCCF f63f46e5f62a39b3bf4b3a18e64a0e73 [0,1,0,1,0,0|1,0,0]=3 15669 B11R1.180 C[C@@H]1CCC[C@H]1OCCCS 744d40eea89ff9f205ebca6bae489c48 [0,1,0,1,0,0|1,0,0]=3 15670 B11R1.180 C[C@@H]1COC[C@@H]1OCCC#N 05c5beba4532d300c5e0538e0852ca1c [0,1,0,1,0,0|1,0,1]=4 15671 B11R1.180 C[C@@H]1COC[C@@H]1OCCC=O bdd2e11069aa13dd8a025fe22f210d00 [0,1,0,1,0,0|1,0,1]=4 15672 B11R1.180 C[C@@H]1COC[C@@H]1OCCCF f9db6641db12c5d1b9135680976de8e5 [0,1,0,1,0,0|1,0,0]=3 15673 B11R1.180 C[C@@H]1COC[C@@H]1OCCCS bf22a3183a9c1bfa9cda96a2cb38f54e [0,1,0,1,0,0|1,0,0]=3 15674 B11R1.180 C[C@H]1CCCN1CCCC#N 0ce48ad000b406dfe4e04c06d3bf7f9b [0,1,0,1,0,0|1,0,1]=4 15675 B11R1.180 C[C@H]1CCCN1CCCC=O 6d7d8539d48f0bf8b3b01bd386b15dd4 [0,1,0,1,0,0|1,0,1]=4 15676 B11R1.180 C[C@H]1CCCN1CCCCF beb048df1e8364d23716cf220574c2e7 [0,1,0,1,0,0|1,0,0]=3 15677 B11R1.180 C[C@H]1CCCN1CCCCO dec6a5199f71a07249a314463f71af58 [0,1,0,1,0,0|1,0,0]=3 15678 B11R1.180 C[C@H]1CCC[C@@H]1OCCC#N 1ba9a8badbb1fbb13f64eb41df3f310d [0,1,0,1,0,0|1,0,1]=4 15679 B11R1.180 C[C@H]1CCC[C@@H]1OCCC=O 261b2ebae7ca05b2be5b90a31e2d1d69 [0,1,0,1,0,0|1,0,1]=4 15680 B11R1.180 C[C@H]1CCC[C@@H]1OCCCF 5d3722e7a068e0f70cf8f9281d762a77 [0,1,0,1,0,0|1,0,0]=3 15681 B11R1.180 C[C@H]1CCC[C@@H]1OCCCS 0643587dc8bec99d499884a0ec25fa9b [0,1,0,1,0,0|1,0,0]=3 15682 B11R1.180 C[C@H]1CCC[C@H]1OCCC#N af765b8bff65c78d8eab743efb43d48a [0,1,0,1,0,0|1,0,1]=4 15683 B11R1.180 C[C@H]1CCC[C@H]1OCCC=O a2baa8a9158229af7837da5f4be19e50 [0,1,0,1,0,0|1,0,1]=4 15684 B11R1.180 C[C@H]1CCC[C@H]1OCCCF bedf10ab5c85b3eef44a43bf9153a181 [0,1,0,1,0,0|1,0,0]=3 15685 B11R1.180 C[C@H]1CCC[C@H]1OCCCS 00db28a956bc61647959696368fa0749 [0,1,0,1,0,0|1,0,0]=3 15686 B11R1.180 C[C@H]1COC[C@@H]1OCCC#N a56d79790b90d37dd6011af8afd6e90a [0,1,0,1,0,0|1,0,1]=4 15687 B11R1.180 C[C@H]1COC[C@@H]1OCCC=O b56bb01d391843dcded991ea9d2ea23a [0,1,0,1,0,0|1,0,1]=4 15688 B11R1.180 C[C@H]1COC[C@@H]1OCCCF 18dbc0a31a2b56a6a5cb97a5b39e97fb [0,1,0,1,0,0|1,0,0]=3 15689 B11R1.180 C[C@H]1COC[C@@H]1OCCCS 580d19d638a5d06e4a0ff00e6d0d57c3 [0,1,0,1,0,0|1,0,0]=3 15690 B11R1.180 C[C@H]1COC[C@H]1OCCC#N 5e30c4b3747dbb75282558c1cb118920 [0,1,0,1,0,0|1,0,1]=4 15691 B11R1.180 C[C@H]1COC[C@H]1OCCC=O 8f6313cb31d4c770cc808b02bc2e1a16 [0,1,0,1,0,0|1,0,1]=4 15692 B11R1.180 C[C@H]1COC[C@H]1OCCCF defad21049eb939432b01d148f003cce [0,1,0,1,0,0|1,0,0]=3 15693 B11R1.180 C[C@H]1COC[C@H]1OCCCS c93e5f2ff42f628b2b0bb5cee635edd9 [0,1,0,1,0,0|1,0,0]=3 15694 B11R1.180 FC1COCC1OCCCS ac93e009ed482b1834c724ec13b460c3 [0,1,0,1,0,0|2,0,0]=4 15695 B11R1.180 FCCCOC1COCC1F 83e6d3dd1b84056864e87427a16c64cb [0,1,0,1,0,0|2,0,0]=4 15696 B11R1.180 FCCCO[C@@H]1CCC[C@H]1F 5c71df081e40aa824cc9b970d3712eab [0,1,0,1,0,0|1,0,0]=3 15697 B11R1.180 FCCCO[C@@H]1COC[C@H]1F d0a090281cfecf8afcaeb067a002e589 [0,1,0,1,0,0|2,0,0]=4 15698 B11R1.180 FCCCO[C@H]1COC[C@H]1F d46f49cd5895dda2b1867c2d447bb5ed [0,1,0,1,0,0|2,0,0]=4 15699 B11R1.180 F[C@@H]1CCC[C@H]1OCCCS 2362fec745b7a39f2bb9b629fed664a1 [0,1,0,1,0,0|1,0,0]=3 15700 B11R1.180 F[C@@H]1COC[C@@H]1OCCCS cdc6720c517aebf09f4a0af653599f1b [0,1,0,1,0,0|2,0,0]=4 15701 B11R1.180 F[C@@H]1COC[C@H]1OCCCS 70c087bd9ec2e5b04c1cd3c695e4cf60 [0,1,0,1,0,0|2,0,0]=4 15702 B11R1.180 N#CCCO[C@@H]1CCC[C@H]1F 96bce5e8810e4ae16414e98db8c4f24d [0,1,0,1,0,0|1,0,1]=4 15703 B11R1.180 O=C1CCCC1OCCCF 0cb91a01e38d73789f9e0851f5649a66 [0,1,0,1,0,0|1,0,1]=4 15704 B11R1.180 O=C1CCCC1OCCCS 5063541bc88a8e8fb7070e9c4a3cf1f4 [0,1,0,1,0,0|1,0,1]=4 15705 B11R1.180 O=CCCO[C@@H]1CCC[C@H]1F fd13a1bf373e27545b34adfa0c8971a7 [0,1,0,1,0,0|1,0,1]=4 15706 B11R1.180 OC1CCCC1NCCCCl 18e0dfa005e20a7794d37188320e60fa [0,1,0,1,0,0|2,0,0]=4 15707 B11R1.180 OC1CCCC1NCCCF d52eb209bdd8640e6735e0022131053c [0,1,0,1,0,0|2,0,0]=4 15708 B11R1.180 OC1CCCC1NCCCS ad5ad91bb8a1e477be3240fb65b15c57 [0,1,0,1,0,0|2,0,0]=4 15709 B11R1.180 OC1CCCN1CCCCF 2901c9635aad53a10ff2307c8c446994 [0,1,0,1,0,0|2,0,0]=4 15710 B11R1.180 OCCCCN1CCCC1O b66dc1eda917a4ce6d9edf8bad2b7f04 [0,1,0,1,0,0|2,0,0]=4 15711 B11R1.180 OCCCNC1CCCC1O 8a3dd0956c2a3350634eb03d9a5f83a3 [0,1,0,1,0,0|2,0,0]=4 15712 B11R1.180 OCCCN[C@@H]1CCC[C@@H]1O 6ec83be7912e80a6f332a2408ba85f3f [0,1,0,1,0,0|2,0,0]=4 15713 B11R1.180 OCCCN[C@@H]1CCC[C@H]1O 93070f5dd84082dc934e41926f52d278 [0,1,0,1,0,0|2,0,0]=4 15714 B11R1.180 OCCCN[C@H]1CCC[C@@H]1O 6f2193d4fbbd69d5a1672538370cd6dd [0,1,0,1,0,0|2,0,0]=4 15715 B11R1.180 OCCCN[C@H]1CCC[C@H]1O bcc6cdc902450ea66e5f517233207ef1 [0,1,0,1,0,0|2,0,0]=4 15716 B11R1.180 O[C@@H]1CCC[C@@H]1NCCCF 0566334efc972f4605dbd5cf456bd85c [0,1,0,1,0,0|2,0,0]=4 15717 B11R1.180 O[C@@H]1CCC[C@@H]1NCCCS 00c2ddbae242ed335bf835b6f98cca35 [0,1,0,1,0,0|2,0,0]=4 15718 B11R1.180 O[C@@H]1CCC[C@H]1NCCCCl c99f07634d03f6a9a62f3b57ca710903 [0,1,0,1,0,0|2,0,0]=4 15719 B11R1.180 O[C@@H]1CCC[C@H]1NCCCF 7d035eed9d029a50a5d9ca2905e25955 [0,1,0,1,0,0|2,0,0]=4 15720 B11R1.180 O[C@@H]1CCC[C@H]1NCCCS 4b469205667fd6e6ad5bd41366126633 [0,1,0,1,0,0|2,0,0]=4 15721 B11R1.180 O[C@H]1CCC[C@@H]1NCCCCl 4b7094728466c9027fb1629622957be6 [0,1,0,1,0,0|2,0,0]=4 15722 B11R1.180 O[C@H]1CCC[C@@H]1NCCCF 370bb80e64df8b4b9a38b81e52e2ef88 [0,1,0,1,0,0|2,0,0]=4 15723 B11R1.180 O[C@H]1CCC[C@@H]1NCCCS 54f03ddde825d1912b25a4bb5547c233 [0,1,0,1,0,0|2,0,0]=4 15724 B11R1.180 O[C@H]1CCC[C@H]1NCCCF 9d38eee4b52c5d8151f6fa6246dd365b [0,1,0,1,0,0|2,0,0]=4 15725 B11R1.180 O[C@H]1CCC[C@H]1NCCCS 3b7870cf7ccc2025ab0934b47937b7c7 [0,1,0,1,0,0|2,0,0]=4 15726 B11R1.189 CCCN1CCCC(C1)CC 7000f55ce558ff303a5b7d907381fc87 [0,1,0,1,0,0|2,0,0]=4 15727 B11R1.189 CCN1CCOC(C1)CCO 27b10c78e268df723936494339ebd8c5 [0,1,0,1,0,0|2,0,0]=4 15728 B11R1.189 CCN1CCO[C@@H](C1)COC 8d07ac44cd844bece72b685523f3b4f8 [0,1,0,1,0,0|2,0,0]=4 15729 B11R1.189 CCN1CCO[C@H](C1)COC 7d84597819a920369f8526e3e222cda1 [0,1,0,1,0,0|2,0,0]=4 15730 B11R1.189 CCN[C@@H]1COC[C@@H](C1)OC 15f67338b7e8ed721e01a1d27e1c667d [0,1,0,1,0,0|2,0,0]=4 15731 B11R1.189 CCN[C@H]1COC[C@H](C1)OC 5a68287557dab5f416f3ba4318962f8b [0,1,0,1,0,0|2,0,0]=4 15732 B11R1.189 CCOC1CCCC(C1)CC 55257b44f758d6bf148c225672dde9b1 [0,1,0,1,0,0|2,0,0]=4 15733 B11R1.189 CCOC1CN(CCO1)CC 55f92455de44f3aad5bc67ae364cd42c [0,1,0,1,0,0|2,0,0]=4 15734 B11R1.199 CC(CCO)N1CCCC1C 208f354ed567c173af877783298e24be [0,1,0,1,0,0|2,0,0]=4 15735 B11R1.199 CC(CCO)N1CCC[C@@H]1C 9e9009f3d99e2298bf5184d45b8c588a [0,1,0,1,0,0|2,0,0]=4 15736 B11R1.199 CC(CCO)N1CCC[C@H]1C 4a7c33bed80fbc1766b96e7c02e6014e [0,1,0,1,0,0|2,0,0]=4 15737 B11R1.199 CCCC(=O)N1CCCC1C 8c24dc4b9058c88c58f6be94f5bfa8dc [0,1,0,1,0,0|1,0,1]=4 15738 B11R1.199 CCCC(=O)N1CCC[C@@H]1C 87bbbddbc09dd6f86d6c8e25df54a80d [0,1,0,1,0,0|1,0,1]=4 15739 B11R1.199 CCCC(=O)N1CCC[C@H]1C 1bc4022f596909465ba443478f45a3f5 [0,1,0,1,0,0|1,0,1]=4 15740 B11R1.199 CCCC(C)N1CCCC1C 6390c17b79f311c7368ff7fe72b4d01a [0,1,0,1,0,0|1,0,0]=3 15741 B11R1.199 CCCC(C)N1CCCC1O 23f5121b083a0ec2e74305b5b88156f5 [0,1,0,1,0,0|2,0,0]=4 15742 B11R1.199 CCCC(C)N1CCC[C@@H]1C 9827d5f1cf8d4ea87eda46e7f38c4c48 [0,1,0,1,0,0|1,0,0]=3 15743 B11R1.199 CCCC(C)N1CCC[C@H]1C 9ad5a20d2e589a330a50a8ed41e838cb [0,1,0,1,0,0|1,0,0]=3 15744 B11R1.199 CCCC(C)N1CCSC1C b6e72d2b174da1cb37b2cdf4d07c9fd7 [0,1,0,1,0,0|2,0,0]=4 15745 B11R1.199 COCC(C)N1CCCC1C 3fb964b4bdb52cc38aee4521bbaa4d59 [0,1,0,1,0,0|2,0,0]=4 15746 B11R1.199 COCC(C)N1CCC[C@@H]1C f18d4eccb7cd3899de8720c57416eaf0 [0,1,0,1,0,0|2,0,0]=4 15747 B11R1.199 COCC(C)N1CCC[C@H]1C bb24da33a00bf460ffb214e5c327cd95 [0,1,0,1,0,0|2,0,0]=4 15748 B11R1.200 CCC1CCN1C(C)CCO 8a2530aba235b21482d97e0300d6074b [0,1,0,1,0,0|2,0,0]=4 15749 B11R1.200 CCC1CCN1C(C)COC 11e337b36f753426d35d7e82bccd72fd [0,1,0,1,0,0|2,0,0]=4 15750 B11R1.200 CCCC(=O)N1CCC1CC 1463a3076dd4a4f8cdaa143f1b5367da [0,1,0,1,0,0|1,0,1]=4 15751 B11R1.200 CCCC(C)N1CCC1CC 7714750bdd2f7f3ad24c482414cb03e4 [0,1,0,1,0,0|1,0,0]=3 15752 B11R1.200 CCCC(C)N1CCC1CO d5df93d39b3f53c1f80251b0529a8cf6 [0,1,0,1,0,0|2,0,0]=4 15753 B11R1.200 CCCC(C)N1CC[C@@H]1CO f599d9a0bd18d07447fb3768e833ce28 [0,1,0,1,0,0|2,0,0]=4 15754 B11R1.200 CCCC(C)N1CC[C@H]1CO f6aa11aa6ebc14310a45549c630e8377 [0,1,0,1,0,0|2,0,0]=4 15755 B11R1.202 CCCC(C)N[C@@H]1C[C@@H]1OC 53981bfe37382cb7a6c04a038ad2ed06 [0,1,0,1,0,0|2,0,0]=4 15756 B11R1.202 CCCC(C)N[C@@H]1C[C@H]1CO 1fb903792992c6060e050ad45a635cf1 [0,1,0,1,0,0|2,0,0]=4 15757 B11R1.202 CCCC(C)N[C@H]1C[C@@H]1CO dea00f58c72c3b6894d7941b1d62d92c [0,1,0,1,0,0|2,0,0]=4 15758 B11R1.202 CCCC(C)N[C@H]1C[C@H]1CO 623c3e78c86435054d6e5ac5d7bc9a57 [0,1,0,1,0,0|2,0,0]=4 15759 B11R1.202 CCCC(C)OC1CC1C=O e95c0bc276983159eba87d0aa52cf5a8 [0,1,0,1,0,0|1,0,1]=4 15760 B11R1.202 CCC[C@@H](C)OC1CC1C=O be14cf0a29c48809a3dada6df980733d [0,1,0,1,0,0|1,0,1]=4 15761 B11R1.202 CCC[C@H](C)OC1CC1C=O 730d4d5a771f29e26ce7cdec981cef46 [0,1,0,1,0,0|1,0,1]=4 15762 B11R1.210 CCCC1CN(C1)CCCF 7f36bcd8dcc33d095a75cd86a1540ae6 [0,1,0,1,0,0|2,0,0]=4 15763 B11R1.210 CCCC1CN(C1)CCCO 2d03ec586138a818d5f4a4f78e01e2f2 [0,1,0,1,0,0|2,0,0]=4 15764 B11R1.210 CCCC1CN(C1)CCCS 46ea608f8fbc51fcb10dba1be88906ef [0,1,0,1,0,0|2,0,0]=4 15765 B11R1.210 CCCC1CN(C1)CCOC f8b0269d8c081885850e3f1f24637517 [0,1,0,1,0,0|2,0,0]=4 15766 B11R1.210 CCCC1CN(C1)CCSC 99363285a6b873e118e40dfbbcd05be4 [0,1,0,1,0,0|2,0,0]=4 15767 B11R1.210 CCCC1CN(C1)COCC d1192856f7741596e3a7b57ded4447e0 [0,1,0,1,0,0|2,0,0]=4 15768 B11R1.210 CCCCN1CC(C1)CCC 4780f078bbbe1284cb22556f16787e61 [0,1,0,1,0,0|1,0,0]=3 15769 B11R1.210 CCCCN1CC(C1)COC 2f8c46585fafadf77edf714392d3ec3b [0,1,0,1,0,0|2,0,0]=4 15770 B11R1.210 CCCCN1CC(C1)OCC c363ddd727e44bbff5ad2e1f3cb400d7 [0,1,0,1,0,0|2,0,0]=4 15771 B11R1.229 C#C[C@H]1C[C@H]1COCCCC b33daf7e92b09f4b37f34fda4069c30c [0,1,0,1,0,0|0,0,1]=3 15772 B11R1.229 C#C[C@H]1C[C@H]1COCCCF f3d9a250918a67855d9ec26684543063 [0,1,0,1,0,0|1,0,1]=4 15773 B11R1.229 C#C[C@H]1C[C@H]1COCCCS 75f772aae84abd0be885711d012690e2 [0,1,0,1,0,0|1,0,1]=4 15774 B11R1.229 C#C[C@H]1C[C@H]1COCCOC f45a284e4023713e1087fd7b673bd19a [0,1,0,1,0,0|1,0,1]=4 15775 B11R1.229 C#C[C@H]1C[C@H]1COCCSC b7b96c9ae5ca8cf578015b7d1bf18254 [0,1,0,1,0,0|1,0,1]=4 15776 B11R1.229 C#C[C@H]1C[C@H]1COCOCC 4fa2be43b0d150ed665fd2b47ac84a9b [0,1,0,1,0,0|1,0,1]=4 15777 B11R1.229 CCCCCNC1CC1C=O 3b450e1bf12fe7c5972efd7cdb904ff6 [0,1,0,1,0,0|1,0,1]=4 15778 B11R1.229 CCCCCN[C@@H]1C[C@@H]1OC 63674d81d87e11799b63402fb3c65a52 [0,1,0,1,0,0|1,0,0]=3 15779 B11R1.229 CCCCCN[C@@H]1C[C@H]1CO 8b78761299fc677978c31200332d44e4 [0,1,0,1,0,0|1,0,0]=3 15780 B11R1.229 CCCCCN[C@H]1C[C@@H]1CO ad2e5841e2feda90ba186db0742959c3 [0,1,0,1,0,0|1,0,0]=3 15781 B11R1.229 CCCCCN[C@H]1C[C@H]1CO 966bfeaedb6c59f4f814c88b606b70dc [0,1,0,1,0,0|1,0,0]=3 15782 B11R1.229 CCCCCOC1CC1C=O b0e237a9782aca920d34e73b99f4e76f [0,1,0,1,0,0|0,0,1]=3 15783 B11R1.229 CCCCNCC1CC1CO a1a4d242388b6021686f25289a5a519b [0,1,0,1,0,0|1,0,0]=3 15784 B11R1.229 CCCCOCC1CC1C#N 096667cb6d5772090773b62f157ff28d [0,1,0,1,0,0|0,0,1]=3 15785 B11R1.229 CCOCCN[C@@H]1C[C@@H]1OC 4b59d8ba38f8fd08bf184accc946d428 [0,1,0,1,0,0|2,0,0]=4 15786 B11R1.229 CCOCCN[C@@H]1C[C@H]1CO 64307326afacf77979435ebbd020c2ca [0,1,0,1,0,0|2,0,0]=4 15787 B11R1.229 CCOCCN[C@H]1C[C@@H]1CO bd718bd0a9c60c147807433a10a33235 [0,1,0,1,0,0|2,0,0]=4 15788 B11R1.229 CCOCCN[C@H]1C[C@H]1CO fb4ef4e8c9274daa48d4bd21873d70b5 [0,1,0,1,0,0|2,0,0]=4 15789 B11R1.229 CCOCCOC1CC1C=O ca5ba67898adb8d530e8f6733709f269 [0,1,0,1,0,0|1,0,1]=4 15790 B11R1.229 CCOCNCC1CC1CO 4e3b9eada9f88b283c828970fd26998f [0,1,0,1,0,0|2,0,0]=4 15791 B11R1.229 CCOCOCC1CC1C#N b4ccf230f1639c246beb31d33b0e6ac5 [0,1,0,1,0,0|1,0,1]=4 15792 B11R1.229 CCSCCN[C@@H]1C[C@@H]1OC 630b1e97cc3e9bd5f93d78cf99879c26 [0,1,0,1,0,0|2,0,0]=4 15793 B11R1.229 CCSCCN[C@@H]1C[C@H]1CO 442fdb2e374c7eb0c8bd11e777e1e9ad [0,1,0,1,0,0|2,0,0]=4 15794 B11R1.229 CCSCCN[C@H]1C[C@@H]1CO e9c76b848ad70288b5b4653392a94478 [0,1,0,1,0,0|2,0,0]=4 15795 B11R1.229 CCSCCN[C@H]1C[C@H]1CO 55d12d2e31b6082405a56c9760421688 [0,1,0,1,0,0|2,0,0]=4 15796 B11R1.229 CCSCCOC1CC1C=O e38332447b98478b5be97c6e4e0b3925 [0,1,0,1,0,0|1,0,1]=4 15797 B11R1.229 COCCCN[C@@H]1C[C@@H]1OC 31a77165a72d339e20f8013958122a40 [0,1,0,1,0,0|2,0,0]=4 15798 B11R1.229 COCCCN[C@@H]1C[C@H]1CO 4818fc99858130dd82e203c082ff61fa [0,1,0,1,0,0|2,0,0]=4 15799 B11R1.229 COCCCN[C@H]1C[C@@H]1CO dbe58b21837097209afbc3e268e583b0 [0,1,0,1,0,0|2,0,0]=4 15800 B11R1.229 COCCCN[C@H]1C[C@H]1CO f669c87f240893d60a64084e82849f6c [0,1,0,1,0,0|2,0,0]=4 15801 B11R1.229 COCCCOC1CC1C=O 0d1b4af85ee7867c413ccf89d9142d87 [0,1,0,1,0,0|1,0,1]=4 15802 B11R1.229 COCCNCC1CC1CO e4ad88a7d844954b3550bb21d86e68a8 [0,1,0,1,0,0|2,0,0]=4 15803 B11R1.229 COCCOCC1CC1C#N db82877b4f9359a8cb7a3004c869fec6 [0,1,0,1,0,0|1,0,1]=4 15804 B11R1.229 CO[C@H]1C[C@H]1NCCCCF ad8fa6e64b8ca2e7f8d63ae68f0e2d95 [0,1,0,1,0,0|2,0,0]=4 15805 B11R1.229 CO[C@H]1C[C@H]1NCCCCO 80b6380a79b616c78bd9a45f94a008f8 [0,1,0,1,0,0|2,0,0]=4 15806 B11R1.229 CO[C@H]1C[C@H]1NCCCSC 38d500d50671ef9e89cd9404868ce74e [0,1,0,1,0,0|2,0,0]=4 15807 B11R1.229 CSCCCN[C@@H]1C[C@H]1CO 155d82c9174823e01afbf65f57dfac9e [0,1,0,1,0,0|2,0,0]=4 15808 B11R1.229 CSCCCN[C@H]1C[C@@H]1CO 8f5886cd5c86100984a284f3ec671cdd [0,1,0,1,0,0|2,0,0]=4 15809 B11R1.229 CSCCCN[C@H]1C[C@H]1CO 15ef1900ed84603944fae3e39bc78659 [0,1,0,1,0,0|2,0,0]=4 15810 B11R1.229 CSCCCOC1CC1C=O 72ed5303c2aa3b7a20396a53dca3b19a [0,1,0,1,0,0|1,0,1]=4 15811 B11R1.229 CSCCNCC1CC1CO 85ca0428ab087bfa1d647d7cb8829db5 [0,1,0,1,0,0|2,0,0]=4 15812 B11R1.229 CSCCOCC1CC1C#N 913e922fa27043d74a8c4c43bcde5d56 [0,1,0,1,0,0|1,0,1]=4 15813 B11R1.229 N#CC1CC1COCCCF 4ce3ffd072a9b16e8faa9901413117ac [0,1,0,1,0,0|1,0,1]=4 15814 B11R1.229 N#CC1CC1COCCCS 4867482bb28deaa54c2ca6973efbbc91 [0,1,0,1,0,0|1,0,1]=4 15815 B11R1.229 O=CC1CC1OCCCCF cc161ab6bf238ede4f63c00e24569b9c [0,1,0,1,0,0|1,0,1]=4 15816 B11R1.229 O=CC1CC1OCCCCS 61ee5491a5fa654957a224d4efb819ef [0,1,0,1,0,0|1,0,1]=4 15817 B11R1.229 OCC1CC1CNCCCF c707450a1b8b9a19a7101d3816b029b1 [0,1,0,1,0,0|2,0,0]=4 15818 B11R1.229 OCC1CC1CNCCCS 860b7b76373886ea43eb9dcb9e60e87e [0,1,0,1,0,0|2,0,0]=4 15819 B11R1.229 OCCCCN[C@@H]1C[C@H]1CO 82aecec8f1e5c92991a31cc98a3cdcdb [0,1,0,1,0,0|2,0,0]=4 15820 B11R1.229 OCCCCN[C@H]1C[C@@H]1CO 8cd870158238a85a7e152fb28022d422 [0,1,0,1,0,0|2,0,0]=4 15821 B11R1.229 OCCCCN[C@H]1C[C@H]1CO 485d69b49e06646fbb165f6f852c8f43 [0,1,0,1,0,0|2,0,0]=4 15822 B11R1.229 OCCCNCC1CC1CO 625183df8d96001a6b9256d283d9fc00 [0,1,0,1,0,0|2,0,0]=4 15823 B11R1.229 OC[C@@H]1C[C@@H]1NCCCCF 878154fc407b359fae2ab9b4de7fa21d [0,1,0,1,0,0|2,0,0]=4 15824 B11R1.229 OC[C@@H]1C[C@H]1NCCCCF d056fc1fd2600f20c532ba5e6a3a5e01 [0,1,0,1,0,0|2,0,0]=4 15825 B11R1.229 OC[C@H]1C[C@@H]1NCCCCF cd05d48819831ab790afd8dc570d83f6 [0,1,0,1,0,0|2,0,0]=4 15826 B11R1.230 CCCCN1C[C@@H](C[C@@H]1C)F 0f3f7e29cf4a042a98728d14970044e3 [0,1,0,1,0,0|1,0,0]=3 15827 B11R1.230 CCCCN1C[C@@H](C[C@@H]1C)O acca72fb8163ec35ec93c105e976211d [0,1,0,1,0,0|1,0,0]=3 15828 B11R1.230 CCCCN1C[C@@H](C[C@H]1C)F 3ffa279147ec360102bf25fa2f19a519 [0,1,0,1,0,0|1,0,0]=3 15829 B11R1.230 CCCCN1C[C@@H](C[C@H]1C)O 89ab3f0efd95c6ef46b704cdd8cbe8a6 [0,1,0,1,0,0|1,0,0]=3 15830 B11R1.230 CCCCN1C[C@H](C[C@@H]1C)F 0229418ce2ada55ff8d4f8add88afa7b [0,1,0,1,0,0|1,0,0]=3 15831 B11R1.230 CCCCN1C[C@H](C[C@@H]1C)O e476f24119e92fc8938a493f0973d52d [0,1,0,1,0,0|1,0,0]=3 15832 B11R1.230 CCCCN1C[C@H](C[C@H]1C)F 0f896d0464b1238e2e5f7cc7cb185c68 [0,1,0,1,0,0|1,0,0]=3 15833 B11R1.230 CCCCN1C[C@H](C[C@H]1C)O 98109703db86b4ead5e112527ef9837f [0,1,0,1,0,0|1,0,0]=3 15834 B11R1.230 CCCOC1OC(=O)CC1C f8b98e79aad2fd39ea3dc6c840dbd841 [0,1,0,1,0,0|1,0,1]=4 15835 B11R1.230 CCOCN1C[C@@H](C[C@@H]1C)F a4a5f8840c53dc012cb480bfcd45768d [0,1,0,1,0,0|2,0,0]=4 15836 B11R1.230 CCOCN1C[C@@H](C[C@@H]1C)O 5e8fc0ec35474feb1ec81498d0be8d85 [0,1,0,1,0,0|2,0,0]=4 15837 B11R1.230 CCOCN1C[C@@H](C[C@H]1C)F d1d7a064713f17cc6c45dee583cf691f [0,1,0,1,0,0|2,0,0]=4 15838 B11R1.230 CCOCN1C[C@@H](C[C@H]1C)O fa04082fccbc4c967097bf58abccc76a [0,1,0,1,0,0|2,0,0]=4 15839 B11R1.230 CCOCN1C[C@H](C[C@@H]1C)F aa96a149b917ba64078e17fc33a4dddf [0,1,0,1,0,0|2,0,0]=4 15840 B11R1.230 CCOCN1C[C@H](C[C@@H]1C)O 1e81bc6e70bb53ae99a7ea6fc02bb866 [0,1,0,1,0,0|2,0,0]=4 15841 B11R1.230 CCOCN1C[C@H](C[C@H]1C)F 4571af5698c8642b43416ddd7b73bc1e [0,1,0,1,0,0|2,0,0]=4 15842 B11R1.230 CCOCN1C[C@H](C[C@H]1C)O 772c6cb282a4fbaa8e0933915addc725 [0,1,0,1,0,0|2,0,0]=4 15843 B11R1.230 COCCN1C[C@@H](C[C@@H]1C)F 6a6bb65d44c50e4c19b781692738b64d [0,1,0,1,0,0|2,0,0]=4 15844 B11R1.230 COCCN1C[C@@H](C[C@@H]1C)O 96f70a22c25e2cc88a7a59cc4d74560f [0,1,0,1,0,0|2,0,0]=4 15845 B11R1.230 COCCN1C[C@@H](C[C@H]1C)F e321960f9b1717332fb656884198e190 [0,1,0,1,0,0|2,0,0]=4 15846 B11R1.230 COCCN1C[C@@H](C[C@H]1C)O cef58bf4ffccd9008dae4a9b32676941 [0,1,0,1,0,0|2,0,0]=4 15847 B11R1.230 COCCN1C[C@H](C[C@@H]1C)F d676cd5d259ed05b9e14fc73569d9814 [0,1,0,1,0,0|2,0,0]=4 15848 B11R1.230 COCCN1C[C@H](C[C@@H]1C)O fa072fcf0837aab7d15a37039c39b41e [0,1,0,1,0,0|2,0,0]=4 15849 B11R1.230 COCCN1C[C@H](C[C@H]1C)F 2fc290b1d94fe402354bd605da67a5d3 [0,1,0,1,0,0|2,0,0]=4 15850 B11R1.230 COCCN1C[C@H](C[C@H]1C)O 71fbcfc17780b7762927f9cb545c2743 [0,1,0,1,0,0|2,0,0]=4 15851 B11R1.230 CSCCN1C[C@@H](C[C@@H]1C)F 13053d0cc6f1d9ad1f47f676ed3b4eec [0,1,0,1,0,0|2,0,0]=4 15852 B11R1.230 CSCCN1C[C@@H](C[C@@H]1C)O d6231634d294999a47c1cc8fa9aef83b [0,1,0,1,0,0|2,0,0]=4 15853 B11R1.230 CSCCN1C[C@@H](C[C@H]1C)F 95fdd3ea3931c59f28831905129fced9 [0,1,0,1,0,0|2,0,0]=4 15854 B11R1.230 CSCCN1C[C@@H](C[C@H]1C)O 8fde891e6d252852e47cd2ac88449a93 [0,1,0,1,0,0|2,0,0]=4 15855 B11R1.230 CSCCN1C[C@H](C[C@@H]1C)F 99202b677d294b0c6ca447ea857c918e [0,1,0,1,0,0|2,0,0]=4 15856 B11R1.230 CSCCN1C[C@H](C[C@@H]1C)O 873ffc5c36e873296f5067f486a19a3c [0,1,0,1,0,0|2,0,0]=4 15857 B11R1.230 CSCCN1C[C@H](C[C@H]1C)F 679f74ac09cca17bbb585d0e7d4a8ceb [0,1,0,1,0,0|2,0,0]=4 15858 B11R1.230 CSCCN1C[C@H](C[C@H]1C)O 61a4352417125ae6245d276cc846e917 [0,1,0,1,0,0|2,0,0]=4 15859 B11R1.230 C[C@@H]1C[C@@H](CN1CCCF)F c36bc864b8c8508ff6ad2333195a37a2 [0,1,0,1,0,0|2,0,0]=4 15860 B11R1.230 C[C@@H]1C[C@@H](CN1CCCF)O 2b99a5459860bf76afcab2ce8492cd0c [0,1,0,1,0,0|2,0,0]=4 15861 B11R1.230 C[C@@H]1C[C@@H](CN1CCCO)F 1127c5cea6bd31b5b92357b29712c1ef [0,1,0,1,0,0|2,0,0]=4 15862 B11R1.230 C[C@@H]1C[C@@H](CN1CCCO)O 96749ea11fc4bd6a335ff750f8718e15 [0,1,0,1,0,0|2,0,0]=4 15863 B11R1.230 C[C@@H]1C[C@@H](CN1CCCS)F c9232f20c319efae61276774514e6402 [0,1,0,1,0,0|2,0,0]=4 15864 B11R1.230 C[C@@H]1C[C@@H](CN1CCCS)O 52080a92d7d748986cf931a6bc5a8670 [0,1,0,1,0,0|2,0,0]=4 15865 B11R1.230 C[C@@H]1C[C@H](CN1CCCF)F 6fe6946260e848e939786f4786762881 [0,1,0,1,0,0|2,0,0]=4 15866 B11R1.230 C[C@@H]1C[C@H](CN1CCCF)O 2e9f6d6e6b5e526fde244ce9c1a328d5 [0,1,0,1,0,0|2,0,0]=4 15867 B11R1.230 C[C@@H]1C[C@H](CN1CCCO)F 2e65cd1c5369e0296ba69194e577e8d2 [0,1,0,1,0,0|2,0,0]=4 15868 B11R1.230 C[C@@H]1C[C@H](CN1CCCO)O cfaed2a02d2a946d0b203501b16c00b4 [0,1,0,1,0,0|2,0,0]=4 15869 B11R1.230 C[C@@H]1C[C@H](CN1CCCS)F 94380b580a2ec9f797335e3389e33dfd [0,1,0,1,0,0|2,0,0]=4 15870 B11R1.230 C[C@@H]1C[C@H](CN1CCCS)O 2408224c5877be39377628b50386126d [0,1,0,1,0,0|2,0,0]=4 15871 B11R1.230 C[C@H]1C[C@@H](CN1CCCF)F b7f2c15f9ba76f9cb8fbbea3487906c2 [0,1,0,1,0,0|2,0,0]=4 15872 B11R1.230 C[C@H]1C[C@@H](CN1CCCF)O 690f110cd35dee4a580cadbe7852e032 [0,1,0,1,0,0|2,0,0]=4 15873 B11R1.230 C[C@H]1C[C@@H](CN1CCCO)F d446546e80c078846f5b4894246ce97a [0,1,0,1,0,0|2,0,0]=4 15874 B11R1.230 C[C@H]1C[C@@H](CN1CCCO)O 6dd18d7296b9b6fc0e50ad70a8efa195 [0,1,0,1,0,0|2,0,0]=4 15875 B11R1.230 C[C@H]1C[C@@H](CN1CCCS)F e469e804484557644f4b16265e1183f4 [0,1,0,1,0,0|2,0,0]=4 15876 B11R1.230 C[C@H]1C[C@@H](CN1CCCS)O fad33733d0d050b59e3224cf5b14d2d6 [0,1,0,1,0,0|2,0,0]=4 15877 B11R1.230 C[C@H]1C[C@H](CN1CCCF)F 6cb3cfc12ce3bb63bbb3d68c9474910b [0,1,0,1,0,0|2,0,0]=4 15878 B11R1.230 C[C@H]1C[C@H](CN1CCCF)O 6c4b30e102532def279694fa9fc4b22f [0,1,0,1,0,0|2,0,0]=4 15879 B11R1.230 C[C@H]1C[C@H](CN1CCCO)F 10a8752ee9e0c758b62cd83e5e3c9202 [0,1,0,1,0,0|2,0,0]=4 15880 B11R1.230 C[C@H]1C[C@H](CN1CCCO)O ea52074b27659b66c67432e42efc65cc [0,1,0,1,0,0|2,0,0]=4 15881 B11R1.230 C[C@H]1C[C@H](CN1CCCS)F d4ae420b146a7d1233a13f8f72d4fa56 [0,1,0,1,0,0|2,0,0]=4 15882 B11R1.230 C[C@H]1C[C@H](CN1CCCS)O b98c92b35d7d9aaa71f30181793d83b8 [0,1,0,1,0,0|2,0,0]=4 15883 B11R1.265 CCN1CCO[C@@H]([C@H]1CO)C f4b5c52cfdd179fbf00877ef305ffdf8 [0,1,0,1,0,0|2,0,0]=4 15884 B11R1.288 C=C1CC1COC(C)CCC 31371f55fa91b9ebc2743801216624db [0,1,0,1,0,0|0,0,2]=4 15885 B11R1.288 CC(CC#N)OCC1CC1C 875000c47ace24fd1a307e7dc19ac043 [0,1,0,1,0,0|1,0,1]=4 15886 B11R1.288 CC(CC#N)OC[C@@H]1C[C@@H]1C 4c680ece643f34d70c90631445007ceb [0,1,0,1,0,0|1,0,1]=4 15887 B11R1.288 CC(CC#N)OC[C@@H]1C[C@H]1C c93d8959d1b64c715ae0f27120c5d459 [0,1,0,1,0,0|1,0,1]=4 15888 B11R1.288 CC(CC#N)OC[C@H]1C[C@@H]1C d7745dd5abdcd77d590ff0c50ad910fd [0,1,0,1,0,0|1,0,1]=4 15889 B11R1.288 CC1CC1NC[C@@H](O)CCO d921b870c893401d3f90df92bba72c4c [0,1,0,1,0,0|2,0,0]=4 15890 B11R1.288 CCCC(=O)CNC1CC1C d954e2b207b1ef78587a602b0d1ee90f [0,1,0,1,0,0|1,0,1]=4 15891 B11R1.288 CCCC(C)CNC1CC1C a8f6b944bc682b419018fa3d87885b2e [0,1,0,1,0,0|1,0,0]=3 15892 B11R1.288 CCCC(C)CN[C@@H]1C[C@H]1F 312243f8be5d0b24cb81512773399187 [0,1,0,1,0,0|2,0,0]=4 15893 B11R1.288 CCCC(C)CN[C@H]1C[C@@H]1F bfbd761a6f11feb3df89de6518f0f881 [0,1,0,1,0,0|2,0,0]=4 15894 B11R1.288 CCCC(C)CN[C@H]1C[C@H]1F 8c812594bae73cb288039c94e11d6a38 [0,1,0,1,0,0|2,0,0]=4 15895 B11R1.288 CCCC(C)OCC1CC1C b7d6be90d0fd80a395dff94ee002ad53 [0,1,0,1,0,0|0,0,0]=2 15896 B11R1.288 CCCC(C)OC[C@@H]1C[C@@H]1C 35939abaf7804555fbdf71cee6d425d2 [0,1,0,1,0,0|0,0,0]=2 15897 B11R1.288 CCCC(C)OC[C@@H]1C[C@@H]1F be1ca1a42945e63a8e0673109cc680cb [0,1,0,1,0,0|1,0,0]=3 15898 B11R1.288 CCCC(C)OC[C@@H]1C[C@H]1C 60e6e9e76d277c9ae35a1651b7b06f90 [0,1,0,1,0,0|0,0,0]=2 15899 B11R1.288 CCCC(C)OC[C@@H]1C[C@H]1F d46475e65f7b6600ecb4617ec51cf846 [0,1,0,1,0,0|1,0,0]=3 15900 B11R1.288 CCCC(C)OC[C@H]1C[C@@H]1C b256b9f5c4cf829cbf2282649c33bbcd [0,1,0,1,0,0|0,0,0]=2 15901 B11R1.288 CCCC(C)OC[C@H]1C[C@@H]1F faae4f56ad82b326fb3675147bf5163d [0,1,0,1,0,0|1,0,0]=3 15902 B11R1.288 CCCC(C)OC[C@H]1C[C@H]1F a0fad2bce76603119d58ed0186bfb7d3 [0,1,0,1,0,0|1,0,0]=3 15903 B11R1.288 COCC(C)OCC1CC1C d07c8617dfabbc4d8db99ae318a73d6d [0,1,0,1,0,0|1,0,0]=3 15904 B11R1.288 COCC(C)OC[C@@H]1C[C@@H]1C ec53c82737099c98194143473d0f1f93 [0,1,0,1,0,0|1,0,0]=3 15905 B11R1.288 COCC(C)OC[C@@H]1C[C@@H]1F a06ad81e0fb2b792e5634cf14639a8a3 [0,1,0,1,0,0|2,0,0]=4 15906 B11R1.288 COCC(C)OC[C@@H]1C[C@H]1C ce8168b02174219c981f90e849d399a4 [0,1,0,1,0,0|1,0,0]=3 15907 B11R1.288 COCC(C)OC[C@@H]1C[C@H]1F 8e238e01e2b41014e2d5e69a9340626c [0,1,0,1,0,0|2,0,0]=4 15908 B11R1.288 COCC(C)OC[C@H]1C[C@@H]1C e99b721dd1bd8714f1e829d9645d2a84 [0,1,0,1,0,0|1,0,0]=3 15909 B11R1.288 COCC(C)OC[C@H]1C[C@@H]1F eafbcd7d3f2e2dd763532ab9586d3205 [0,1,0,1,0,0|2,0,0]=4 15910 B11R1.288 COCC(C)OC[C@H]1C[C@H]1F 84e5f00c4c4a2f8befb871f31c433f68 [0,1,0,1,0,0|2,0,0]=4 15911 B11R1.288 COCC(O)CNC1CC1C 95e4cdc87420c3724a5f8238d32fb5bc [0,1,0,1,0,0|2,0,0]=4 15912 B11R1.289 C#CCC(C)OCC1CCC1 159fb608302e779f38fa89570fac49e7 [0,1,0,1,0,0|0,0,2]=4 15913 B11R1.289 C/C=C/C(C)OCC1CCC1 43c1fafaa6a98eb0abdae8f78395d70e [0,1,0,1,0,0|0,0,2]=4 15914 B11R1.289 C=CCC(C)COC1CCC1 f1ee5d9de885b91be32b63adb55b172c [0,1,0,1,0,0|0,0,2]=4 15915 B11R1.289 C=CCC(C)OCC1CCC1 58a9b8439bcf91cd60aeb30aa9b3be13 [0,1,0,1,0,0|0,0,2]=4 15916 B11R1.289 C=CC[C@@H](C)OCC1CCC1 387765f6b7ad882c6bfd443284828f9e [0,1,0,1,0,0|0,0,2]=4 15917 B11R1.289 C=CC[C@H](C)OCC1CCC1 1216998337062f2c907efef94b6f65e4 [0,1,0,1,0,0|0,0,2]=4 15918 B11R1.289 CC#CC(C)OCC1CCC1 5889c1d6253767dcc5f5d53f6e150866 [0,1,0,1,0,0|0,0,2]=4 15919 B11R1.289 CC(CC#N)OCC1CCC1 4e31c65b79d597dbbafacc4ff7b828be [0,1,0,1,0,0|1,0,1]=4 15920 B11R1.289 CC(CCO)CNC1CCC1 83e1eb2eb67818dc5dc07362ca1bcc42 [0,1,0,1,0,0|2,0,0]=4 15921 B11R1.289 CC(CCO)NCC1CCC1 0057167c4661b0b744fb970137b0acd3 [0,1,0,1,0,0|2,0,0]=4 15922 B11R1.289 CC=CC(C)OCC1CCC1 2751f43d1856360bc948480fb38b4fdd [0,1,0,1,0,0|0,0,2]=4 15923 B11R1.289 CCCC(=O)CNC1CCC1 0a027979d7e0dc7f8a13d9142e42d7a3 [0,1,0,1,0,0|1,0,1]=4 15924 B11R1.289 CCCC(=O)COC1CCC1 44522e1d7d14576fcecac67218dbbfb2 [0,1,0,1,0,0|0,0,1]=3 15925 B11R1.289 CCCC(=O)COC1COC1 edf8089c6db7db1ed303dc4af1379b02 [0,1,0,1,0,0|1,0,1]=4 15926 B11R1.289 CCCC(=O)COC1CSC1 7500cf8c4cb32a53bacc792f8391104a [0,1,0,1,0,0|1,0,1]=4 15927 B11R1.289 CCCC(=O)NCC1CCC1 5b5629fcb62edf562f55605727998243 [0,1,0,1,0,0|1,0,1]=4 15928 B11R1.289 CCCC(=O)OCN1CCC1 7349536bcaaf6321025597a599bb215a [0,1,0,1,0,0|1,0,1]=4 15929 B11R1.289 CCCC(=S)OCC1CCC1 cb7b37bc0b934052223a44a5747503af [0,1,0,1,0,0|0,0,1]=3 15930 B11R1.289 CCCC(=S)OCC1CCO1 023ba35ad3bb53d5767bdfdf7c02f931 [0,1,0,1,0,0|1,0,1]=4 15931 B11R1.289 CCCC(=S)OCC1COC1 8a84931f323fbfa3dac1f8acf45d0b39 [0,1,0,1,0,0|1,0,1]=4 15932 B11R1.289 CCCC(=S)OC[C@@H]1CCO1 09754b0a55fab1dbd7359797d250de45 [0,1,0,1,0,0|1,0,1]=4 15933 B11R1.289 CCCC(=S)OC[C@H]1CCO1 26f3ad0afb0eef31ce5bb553d2fc5db5 [0,1,0,1,0,0|1,0,1]=4 15934 B11R1.289 CCCC(C)CNC1CCC1 15b97d9b5bad074ddfa4f4a8e9f54e3c [0,1,0,1,0,0|1,0,0]=3 15935 B11R1.289 CCCC(C)CNC1COC1 b99560ec35c5bf713cbb609935a5308f [0,1,0,1,0,0|2,0,0]=4 15936 B11R1.289 CCCC(C)COC1CCC1 d263512c652a6885e55c3bd94e72281b [0,1,0,1,0,0|0,0,0]=2 15937 B11R1.289 CCCC(C)COC1COC1 efa339e548286230748844bb68837cd2 [0,1,0,1,0,0|1,0,0]=3 15938 B11R1.289 CCCC(C)COC1CSC1 cee895f5b83779a26fdf218b80fd9674 [0,1,0,1,0,0|1,0,0]=3 15939 B11R1.289 CCCC(C)NCC1CCC1 a8aa2f2e00c98f0a366f5f2d9f2bde54 [0,1,0,1,0,0|1,0,0]=3 15940 B11R1.289 CCCC(C)NCC1CCO1 0e16ae8890ac418f14d3c26d906b775f [0,1,0,1,0,0|2,0,0]=4 15941 B11R1.289 CCCC(C)NCC1COC1 e7c26ac015b45d432bebeaaad6b178c2 [0,1,0,1,0,0|2,0,0]=4 15942 B11R1.289 CCCC(C)NC[C@@H]1CCO1 3b8d6657c8e50ab74973bd0d4133916c [0,1,0,1,0,0|2,0,0]=4 15943 B11R1.289 CCCC(C)NC[C@H]1CCO1 8ddd9a18b1757aedfe2ccc6a4e7fa59b [0,1,0,1,0,0|2,0,0]=4 15944 B11R1.289 CCCC(C)OCC1CCC1 1d8c48dd62df9c51371993a06ea5d123 [0,1,0,1,0,0|0,0,0]=2 15945 B11R1.289 CCCC(C)OCC1CCO1 6612467398ed61398e5680aa30a32c2a [0,1,0,1,0,0|1,0,0]=3 15946 B11R1.289 CCCC(C)OCC1COC1 52e262e89cdc0b1c06d190dd4e6dd360 [0,1,0,1,0,0|1,0,0]=3 15947 B11R1.289 CCCC(C)OCC1CSC1 3638299549653a1aeae460b2ab5a2bd4 [0,1,0,1,0,0|1,0,0]=3 15948 B11R1.289 CCCC(C)OC[C@@H]1CCO1 514a4609289410b71e916296d1827e32 [0,1,0,1,0,0|1,0,0]=3 15949 B11R1.289 CCCC(C)OC[C@H]1CCO1 a7816d049a4d1ce96d60e121ef1151b9 [0,1,0,1,0,0|1,0,0]=3 15950 B11R1.289 CCCC(O)CNC1CCC1 c4e8424b33b1c379909417af878c3e6e [0,1,0,1,0,0|1,0,0]=3 15951 B11R1.289 CCCC(O)CNC1COC1 40c3c7782bdb498a1cd0b85bd8ebf5fb [0,1,0,1,0,0|2,0,0]=4 15952 B11R1.289 CCCN(C)CCC1CCC1 86e8e5d1b0f44d28eac666b9b60a9a21 [0,1,0,1,0,0|2,0,0]=4 15953 B11R1.289 CCC[C@@H](C)OCC1CCC1 00c9de97494c916ac5742d7905a149a2 [0,1,0,1,0,0|0,0,0]=2 15954 B11R1.289 CCC[C@@H](C)OCC1CCO1 744855d7af4ac2a1329d89e35e00df67 [0,1,0,1,0,0|1,0,0]=3 15955 B11R1.289 CCC[C@@H](C)OCC1COC1 1b24cc3643c968c29001caa5e3ff381c [0,1,0,1,0,0|1,0,0]=3 15956 B11R1.289 CCC[C@@H](C)OC[C@@H]1CCO1 6fb84bdca16abb971b500e66b56b5706 [0,1,0,1,0,0|1,0,0]=3 15957 B11R1.289 CCC[C@@H](C)OC[C@H]1CCO1 dae85b7e480152e6dc7c379643f579fd [0,1,0,1,0,0|1,0,0]=3 15958 B11R1.289 CCC[C@H](C)NCC1CCC1 c90ea2aa79e3e7d7e6fd761f4278bd78 [0,1,0,1,0,0|1,0,0]=3 15959 B11R1.289 CCC[C@H](C)NCC1CCO1 2fe101b1e8094e46f484e231e553952d [0,1,0,1,0,0|2,0,0]=4 15960 B11R1.289 CCC[C@H](C)NCC1COC1 6f732e506e2d46d419737fbf5bc7c392 [0,1,0,1,0,0|2,0,0]=4 15961 B11R1.289 CCC[C@H](C)NC[C@@H]1CCO1 9a9b77fdf24512a29966cf03edeb3e85 [0,1,0,1,0,0|2,0,0]=4 15962 B11R1.289 CCC[C@H](C)NC[C@H]1CCO1 d92e6144ba9823001bcde2b2de7bf024 [0,1,0,1,0,0|2,0,0]=4 15963 B11R1.289 CCC[C@H](C)OCC1CCC1 efe93e1795c996e65f94a70456d391e4 [0,1,0,1,0,0|0,0,0]=2 15964 B11R1.289 CCC[C@H](C)OCC1CCO1 55280c4d3dc0ca584c0d9f579a06b88b [0,1,0,1,0,0|1,0,0]=3 15965 B11R1.289 CCC[C@H](C)OCC1COC1 69ccfd2f902289c39b2489a07bc6b897 [0,1,0,1,0,0|1,0,0]=3 15966 B11R1.289 CCC[C@H](C)OC[C@@H]1CCO1 9e3947d6f15833097ef9d0f8c1f9a7ba [0,1,0,1,0,0|1,0,0]=3 15967 B11R1.289 CCC[C@H](C)OC[C@H]1CCO1 8cb235999cfca8bdee44d2fc5963362a [0,1,0,1,0,0|1,0,0]=3 15968 B11R1.289 CCNC(=O)COC1CCC1 7fef597923c8f47d7eebc4f2ebb4796b [0,1,0,1,0,0|1,0,1]=4 15969 B11R1.289 CCOC(=O)COC1CCC1 d0887e2272bbe8eb1c33dd0cab0a9e49 [0,1,0,1,0,0|1,0,1]=4 15970 B11R1.289 CCOC(C)CNC1CCC1 9a92218ee2de91f812447171228968ed [0,1,0,1,0,0|2,0,0]=4 15971 B11R1.289 CCOC(C)COC1CCC1 14f3da7c16f594493488910de3b3d3bd [0,1,0,1,0,0|1,0,0]=3 15972 B11R1.289 CCOC(C)COC1COC1 59cf2b3f4d925528aae1fbd5ce76e852 [0,1,0,1,0,0|2,0,0]=4 15973 B11R1.289 COCC(=O)COC1CCC1 8df271acb42091b390deaf136f543eeb [0,1,0,1,0,0|1,0,1]=4 15974 B11R1.289 COCC(C)COC1CCC1 87f4dbf5fbcd4548a5a63ec2365dc407 [0,1,0,1,0,0|1,0,0]=3 15975 B11R1.289 COCC(C)NCC1CCC1 1c28702ae34fff28008a022f8d3dd077 [0,1,0,1,0,0|2,0,0]=4 15976 B11R1.289 COCC(C)OCC1CCC1 80fc755b7771971ae47d66ec487ef7b2 [0,1,0,1,0,0|1,0,0]=3 15977 B11R1.289 COCC(C)OCC1CCO1 7caa584a3ee8910fe3782348ba082510 [0,1,0,1,0,0|2,0,0]=4 15978 B11R1.289 COCC(C)OCC1COC1 e1d332ddb4eedb8f62e4fa79bc0bcdf2 [0,1,0,1,0,0|2,0,0]=4 15979 B11R1.289 COCC(C)OCC1CSC1 04008ba28e1bd3c807d2a89f7cb74afe [0,1,0,1,0,0|2,0,0]=4 15980 B11R1.289 COCC(C)OC[C@@H]1CCO1 9159a1f2698b2099f201c36ca42e56b8 [0,1,0,1,0,0|2,0,0]=4 15981 B11R1.289 COCC(C)OC[C@H]1CCO1 41b0d308812bbc754b3c429c6e241c77 [0,1,0,1,0,0|2,0,0]=4 15982 B11R1.289 COCC(O)CNC1CCC1 18bba4cd525f6b2abde24d8c75d4397f [0,1,0,1,0,0|2,0,0]=4 15983 B11R1.289 COC[C@@H](C)NCC1CCC1 cdf556461469779ae7961de3a527fb36 [0,1,0,1,0,0|2,0,0]=4 15984 B11R1.289 COC[C@@H](C)OCC1CCC1 b7d2c3aa1e4b6ce1c4e128385c20c648 [0,1,0,1,0,0|1,0,0]=3 15985 B11R1.289 COC[C@@H](C)OCC1CCO1 bcc04de96ba75627f46d36fb7e13c893 [0,1,0,1,0,0|2,0,0]=4 15986 B11R1.289 COC[C@@H](C)OCC1COC1 7f5d7e5b3d22640bf8a4b45bb01cc6bb [0,1,0,1,0,0|2,0,0]=4 15987 B11R1.289 COC[C@@H](C)OC[C@@H]1CCO1 e8387f19699330a21a2be9625f8bd682 [0,1,0,1,0,0|2,0,0]=4 15988 B11R1.289 COC[C@@H](C)OC[C@H]1CCO1 1cd648ff263ab477fe243bba5e725ee5 [0,1,0,1,0,0|2,0,0]=4 15989 B11R1.289 COC[C@@H](O)CNC1CCC1 14f6cc155c64c8cf52819036dea84da1 [0,1,0,1,0,0|2,0,0]=4 15990 B11R1.289 COC[C@H](C)COC1CCC1 bd448034277ed69d91207b644da7a138 [0,1,0,1,0,0|1,0,0]=3 15991 B11R1.289 COC[C@H](C)NCC1CCC1 39b20967e728f34ae5ebecb917e699b9 [0,1,0,1,0,0|2,0,0]=4 15992 B11R1.289 COC[C@H](C)OCC1CCC1 86ddb957295028ffa01440bf5e3d5bce [0,1,0,1,0,0|1,0,0]=3 15993 B11R1.289 COC[C@H](C)OCC1CCO1 bf64262a0ea11ca73a9023683f140e76 [0,1,0,1,0,0|2,0,0]=4 15994 B11R1.289 COC[C@H](C)OCC1COC1 f14a3fd443d8f085cb57a166cfa33796 [0,1,0,1,0,0|2,0,0]=4 15995 B11R1.289 COC[C@H](C)OC[C@@H]1CCO1 96decd04283d55fd58ac4a97ef16c229 [0,1,0,1,0,0|2,0,0]=4 15996 B11R1.289 COC[C@H](C)OC[C@H]1CCO1 c5db218329f4a120b9d29b8744b65741 [0,1,0,1,0,0|2,0,0]=4 15997 B11R1.289 CSCC(C)OCC1CCC1 c40d0a8029b8814e469467ef32bbbfef [0,1,0,1,0,0|1,0,0]=3 15998 B11R1.289 CSCC(C)OCC1CCO1 369ae786cf502ce3d8835c15545a06f1 [0,1,0,1,0,0|2,0,0]=4 15999 B11R1.289 CSCC(C)OCC1COC1 60a1cdd22c714dce9a2b1aefefefbd7c [0,1,0,1,0,0|2,0,0]=4 16000 B11R1.289 CSCC(C)OC[C@@H]1CCO1 c31dbfe02fcd56704cd4b13cc2372db0 [0,1,0,1,0,0|2,0,0]=4 16001 B11R1.289 CSCC(C)OC[C@H]1CCO1 334733190d5b3b02e3397e0ce7a5dcfa [0,1,0,1,0,0|2,0,0]=4 16002 B11R1.289 C[C@@H](CC#N)OCC1CCC1 b6884f8f42f0c2e647ec20fd2f645a97 [0,1,0,1,0,0|1,0,1]=4 16003 B11R1.289 C[C@@H](CCO)NCC1CCC1 4c9886c6dfbbe5069e8a43c7defd5b80 [0,1,0,1,0,0|2,0,0]=4 16004 B11R1.289 C[C@H](CC#N)OCC1CCC1 0329a3b48ef64893ffcaeec3aba4cf2b [0,1,0,1,0,0|1,0,1]=4 16005 B11R1.289 C[C@H](CCO)NCC1CCC1 799a60373e486b80592019ed8aee838a [0,1,0,1,0,0|2,0,0]=4 16006 B11R1.289 OCC[C@H](O)CNC1CCC1 eea05a327a05ff3e05439fc84be02a58 [0,1,0,1,0,0|2,0,0]=4 16007 B11R1.289 OCC[C@H](O)COC1CCC1 b57c1be8f332e090812be718a314a037 [0,1,0,1,0,0|1,0,0]=3 16008 B11R1.289 OCC[C@H](O)COC1COC1 0d8e56b2624e030dc83078635c33f2ff [0,1,0,1,0,0|2,0,0]=4 16009 B11R1.289 OCC[C@H](O)COC1CSC1 aa7e71124bc92c2418e4e88d47f2a0d6 [0,1,0,1,0,0|2,0,0]=4 16010 B11R1.290 C#CCC(C)OCCC1CC1 6a6292c5e5740bc1d85c43c47087a740 [0,1,0,1,0,0|0,0,2]=4 16011 B11R1.290 C/C=C/C(C)OCCC1CC1 69e2a7ded8a3535aa13b49505e3d0870 [0,1,0,1,0,0|0,0,2]=4 16012 B11R1.290 C=CCC(C)COCC1CC1 308ec4bbc460afa6d6a26c207fc6f48b [0,1,0,1,0,0|0,0,2]=4 16013 B11R1.290 C=CCC(C)OCCC1CC1 944c3d7f62324253727266e6f21fe0b8 [0,1,0,1,0,0|0,0,2]=4 16014 B11R1.290 C=CC[C@@H](C)OCCC1CC1 345b41299fea2589eedd46ea953b30c5 [0,1,0,1,0,0|0,0,2]=4 16015 B11R1.290 C=CC[C@H](C)OCCC1CC1 8c3f5605ffb32d34afb88a9a1009c360 [0,1,0,1,0,0|0,0,2]=4 16016 B11R1.290 CC#CC(C)OCCC1CC1 39b2bdb1b87fe0a8ce086ab9e1dd4f5d [0,1,0,1,0,0|0,0,2]=4 16017 B11R1.290 CC(CC#N)OCCC1CC1 add5fb9d457b2f27aab08e571a7be52a [0,1,0,1,0,0|1,0,1]=4 16018 B11R1.290 CC(CCO)CNCC1CC1 90450b568e81740f5ac8b0a5de6640fe [0,1,0,1,0,0|2,0,0]=4 16019 B11R1.290 CC(CCO)NCCC1CC1 c77dff375c2ea2ba74940ffd679b5174 [0,1,0,1,0,0|2,0,0]=4 16020 B11R1.290 CC=CC(C)OCCC1CC1 65fb8aec98a74ad3ddb403d69e97febf [0,1,0,1,0,0|0,0,2]=4 16021 B11R1.290 CCCC(=O)CNCC1CC1 6af81ad12afd538d9fdc8f756ba3946d [0,1,0,1,0,0|1,0,1]=4 16022 B11R1.290 CCCC(=O)COCC1CC1 c36fc0342e9c020aa8512dfa45b81e70 [0,1,0,1,0,0|0,0,1]=3 16023 B11R1.290 CCCC(=O)NCCC1CC1 c432eda3bdde520848213d9a422afe00 [0,1,0,1,0,0|1,0,1]=4 16024 B11R1.290 CCCC(=O)OCNC1CC1 43fcec24fbfef50b224d0e27d37f28b1 [0,1,0,1,0,0|1,0,1]=4 16025 B11R1.290 CCCC(=O)OCOC1CC1 c2019d33dbebb658ce4dcad4e0c27779 [0,1,0,1,0,0|1,0,1]=4 16026 B11R1.290 CCCC(=S)OCCC1CC1 0fd9250a483414aeb9c9fab23588cdf9 [0,1,0,1,0,0|0,0,1]=3 16027 B11R1.290 CCCC(C)CCOC1CC1 2fdf94720aa560b396121bfa8143119f [0,1,0,1,0,0|2,0,0]=4 16028 B11R1.290 CCCC(C)CNCC1CC1 ae5bc81c54842539fc7e089f78937d1e [0,1,0,1,0,0|1,0,0]=3 16029 B11R1.290 CCCC(C)COCC1CC1 3258553df9777a94aabea8de4f34cad2 [0,1,0,1,0,0|0,0,0]=2 16030 B11R1.290 CCCC(C)NCCC1CC1 a82a857453b87974d1a963efbbe8b6f4 [0,1,0,1,0,0|1,0,0]=3 16031 B11R1.290 CCCC(C)NCCN1CC1 59027ab7ed61f7272b31b1717f098018 [0,1,0,1,0,0|2,0,0]=4 16032 B11R1.290 CCCC(C)OCCC1CC1 399fd5a95cac2db30ed09cdf67c183f5 [0,1,0,1,0,0|0,0,0]=2 16033 B11R1.290 CCCC(C)OCCN1CC1 a1953632df84b31693bf9209b487cedf [0,1,0,1,0,0|1,0,0]=3 16034 B11R1.290 CCCC(O)CNCC1CC1 a3d4ee269c6ac45dda6d860c9593ea10 [0,1,0,1,0,0|1,0,0]=3 16035 B11R1.290 CCCC(S)CCOC1CC1 39f33ad01ccc82935fa9ea6375f81d9a [0,1,0,1,0,0|2,0,0]=4 16036 B11R1.290 CCC[C@@H](C)OCCC1CC1 594941d080d8074ccdbfbc5fd73c9d01 [0,1,0,1,0,0|0,0,0]=2 16037 B11R1.290 CCC[C@H](C)NCCC1CC1 629b035fc30a3a6b0fdc5a5fc60e86f7 [0,1,0,1,0,0|1,0,0]=3 16038 B11R1.290 CCC[C@H](C)OCCC1CC1 0cde0ecda1427c9a121febef46c72481 [0,1,0,1,0,0|0,0,0]=2 16039 B11R1.290 CCNC(=O)COCC1CC1 992243b156555a035d355dceeef79ae4 [0,1,0,1,0,0|1,0,1]=4 16040 B11R1.290 CCOC(=O)COCC1CC1 7982bcf3144c0e34c33add663bbf7f17 [0,1,0,1,0,0|1,0,1]=4 16041 B11R1.290 CCOC(C)CNCC1CC1 9b30bff8a75501bdc2b219e7ae21ca87 [0,1,0,1,0,0|2,0,0]=4 16042 B11R1.290 CCOC(C)COCC1CC1 e6ae01ff86cae182e888f7fa2fb4f75c [0,1,0,1,0,0|1,0,0]=3 16043 B11R1.290 COCC(=O)COCC1CC1 a141c8067f3f8d8b08ae447d01abfba0 [0,1,0,1,0,0|1,0,1]=4 16044 B11R1.290 COCC(C)NCCC1CC1 bc22f04e452474c1ce9599de76bf54bd [0,1,0,1,0,0|2,0,0]=4 16045 B11R1.290 COCC(C)OCCC1CC1 af26c31faa4cb8e724c0230d9b82f0f0 [0,1,0,1,0,0|1,0,0]=3 16046 B11R1.290 COCC(C)OCCN1CC1 42e6186364c1bd94aec4f38fb74c5c1c [0,1,0,1,0,0|2,0,0]=4 16047 B11R1.290 COCC(O)CNCC1CC1 6dfebf70e776104ee657db0538e3d1f6 [0,1,0,1,0,0|2,0,0]=4 16048 B11R1.290 COC[C@@H](C)NCCC1CC1 f358c6e3247c1ba2cc55e00090561fd7 [0,1,0,1,0,0|2,0,0]=4 16049 B11R1.290 COC[C@@H](C)OCCC1CC1 079e834d642b6201641dd6b8cde5a8b2 [0,1,0,1,0,0|1,0,0]=3 16050 B11R1.290 COC[C@@H](O)CNCC1CC1 4508b06541eda2cc25f219e8931cc478 [0,1,0,1,0,0|2,0,0]=4 16051 B11R1.290 COC[C@H](C)NCCC1CC1 f50fa3bacb8e00f7a0ccdca970dbd2fe [0,1,0,1,0,0|2,0,0]=4 16052 B11R1.290 COC[C@H](C)OCCC1CC1 6e505ec687c5044ed9a361b3f9d03ecd [0,1,0,1,0,0|1,0,0]=3 16053 B11R1.290 CSCC(C)OCCC1CC1 a675c32dc903c0f3130f5cffda5f9e49 [0,1,0,1,0,0|1,0,0]=3 16054 B11R1.290 C[C@@H](CC#N)OCCC1CC1 d453edf45697a2da68c53e34dceba380 [0,1,0,1,0,0|1,0,1]=4 16055 B11R1.290 C[C@@H](CCO)NCCC1CC1 3245883512bf929f5ca7208b32bdedab [0,1,0,1,0,0|2,0,0]=4 16056 B11R1.290 C[C@H](CC#N)OCCC1CC1 6e610e71956813128d227b0d1073e832 [0,1,0,1,0,0|1,0,1]=4 16057 B11R1.290 C[C@H](CCO)NCCC1CC1 6a7ea81da3cab06de3960087f3b36ccf [0,1,0,1,0,0|2,0,0]=4 16058 B11R1.290 OCC[C@H](O)CNCC1CC1 5fe2299fb479c03b0b6c4e1ffc2582dc [0,1,0,1,0,0|2,0,0]=4 16059 B11R1.290 OCC[C@H](O)COCC1CC1 7031482c4ec2f6b590dfd8ae2c33e2a9 [0,1,0,1,0,0|1,0,0]=3 16060 B11R1.291 CC(CCO)N[C@@H]1CC[C@H]1C 122d69c7ace4e40f79ce701edd49e8f1 [0,1,0,1,0,0|2,0,0]=4 16061 B11R1.291 CC(CCO)N[C@H]1CC[C@H]1C 0e4736bcb38b38c45d022fef1a4ce057 [0,1,0,1,0,0|2,0,0]=4 16062 B11R1.291 CCCC(=O)N[C@@H]1CC[C@H]1C 6bfc221917be827119a6323aeb1c35ae [0,1,0,1,0,0|1,0,1]=4 16063 B11R1.291 CCCC(=O)N[C@H]1CC[C@H]1C dad3e06ac860c055e6d51faea1fe754d [0,1,0,1,0,0|1,0,1]=4 16064 B11R1.291 CCCC(C)NC1CCC1F d04d617ee5a85f9cd4665a4a066776fb [0,1,0,1,0,0|2,0,0]=4 16065 B11R1.291 CCCC(C)NC1CCC1O e605b0dcd1b40a051a594154c13ed448 [0,1,0,1,0,0|2,0,0]=4 16066 B11R1.291 CCCC(C)NC1COC1C 1a4038c99ead05725280923b6e20f98c [0,1,0,1,0,0|2,0,0]=4 16067 B11R1.291 CCCC(C)N[C@@H]1CC[C@@H]1O 7c656d55cdbb2bceae699f96d26ccc19 [0,1,0,1,0,0|2,0,0]=4 16068 B11R1.291 CCCC(C)N[C@@H]1CC[C@H]1C 6ff1126f00d22cd9cac9084f74c9faf9 [0,1,0,1,0,0|1,0,0]=3 16069 B11R1.291 CCCC(C)N[C@@H]1CC[C@H]1O ccb791977ecf76e331c3be8d4d0ed9fc [0,1,0,1,0,0|2,0,0]=4 16070 B11R1.291 CCCC(C)N[C@H]1CC[C@@H]1O 201bb621219e991389f17df564e64102 [0,1,0,1,0,0|2,0,0]=4 16071 B11R1.291 CCCC(C)N[C@H]1CC[C@H]1C 42ab3f600a3e849101d68dab05482e41 [0,1,0,1,0,0|1,0,0]=3 16072 B11R1.291 CCCC(C)N[C@H]1CC[C@H]1O dad83d106065b0bfc481c6f57f4f0946 [0,1,0,1,0,0|2,0,0]=4 16073 B11R1.291 CCCC(C)OC1CCC1=O c0d5771a0ae27ad1028d99b29194e179 [0,1,0,1,0,0|1,0,1]=4 16074 B11R1.291 CCCC(C)OC1COC1C 4d1490760a627ded717723aeac6488c2 [0,1,0,1,0,0|1,0,0]=3 16075 B11R1.291 COCC(C)N[C@@H]1CC[C@H]1C 580d6269b9232657b5e2f725c82c00e3 [0,1,0,1,0,0|2,0,0]=4 16076 B11R1.291 COCC(C)N[C@H]1CC[C@H]1C dae7aa2e9e4bc6b6e82c9ed3309aac6e [0,1,0,1,0,0|2,0,0]=4 16077 B11R1.291 COCC(C)OC1COC1C 871d64083e4f8e10376e6bf65fef27db [0,1,0,1,0,0|2,0,0]=4 16078 B11R1.356 C#CCCCOC(C)C1CC1 0f57bc7297521a37afba6f26daafc44d [0,1,0,1,0,0|0,0,2]=4 16079 B11R1.356 C#CCCCO[C@@H](C)C1CC1 79b456cecabb8db560f9cf0d2e42f694 [0,1,0,1,0,0|0,0,2]=4 16080 B11R1.356 C#CCCCO[C@H](C)C1CC1 24110845507eb1bdabde5173ef2d7186 [0,1,0,1,0,0|0,0,2]=4 16081 B11R1.356 C#CCCOCC(C)C1CC1 4c902b4a1d381897066c2f7c96ee8424 [0,1,0,1,0,0|0,0,2]=4 16082 B11R1.356 C/C=C/CCOC(C)C1CC1 c6b4d9af6026b86505521232ea749420 [0,1,0,1,0,0|0,0,2]=4 16083 B11R1.356 C/C=C/COCC(C)C1CC1 87a879422a33d7b9de7fee07a630c3fc [0,1,0,1,0,0|0,0,2]=4 16084 B11R1.356 C/C=C\COCC(C)C1CC1 b82ddf6c020aea6910dab1f20a63e2d4 [0,1,0,1,0,0|0,0,2]=4 16085 B11R1.356 C=CCCCOC(C)C1CC1 ed5fbbc46e73bcc1d046a87cdb740379 [0,1,0,1,0,0|0,0,2]=4 16086 B11R1.356 C=CCCCO[C@@H](C)C1CC1 9017b767025c2ac931a8525ec4c13532 [0,1,0,1,0,0|0,0,2]=4 16087 B11R1.356 C=CCCCO[C@H](C)C1CC1 3ce3f665c9671aa3e31740f7cb762d34 [0,1,0,1,0,0|0,0,2]=4 16088 B11R1.356 C=CCCOCC(C)C1CC1 6bbb02fb33db7fb236d950bcbbd79722 [0,1,0,1,0,0|0,0,2]=4 16089 B11R1.356 CC#CCCOC(C)C1CC1 12cfc8ee67d43d53b7bc551c20ecdf35 [0,1,0,1,0,0|0,0,2]=4 16090 B11R1.356 CC(COCCC#N)C1CC1 626d1df0dc4d09ef5f75254d4f136a53 [0,1,0,1,0,0|1,0,1]=4 16091 B11R1.356 CC(COCCC=O)C1CC1 33521f3d2a7f9b727c332a312e937d11 [0,1,0,1,0,0|1,0,1]=4 16092 B11R1.356 CC(COCCCF)C1CC1 f321c8cd4f6a4e26a74a825fccb5aca9 [0,1,0,1,0,0|1,0,0]=3 16093 B11R1.356 CC(COCCCS)C1CC1 3ebbe001733b9f860b6b95669ebdc919 [0,1,0,1,0,0|1,0,0]=3 16094 B11R1.356 CC(NCCCCCl)C1CC1 745e939bc203b9a0caa90b54f0301dce [0,1,0,1,0,0|2,0,0]=4 16095 B11R1.356 CC(NCCCCO)C1CC1 0bfeaa172fe4e4d717d789eef7809850 [0,1,0,1,0,0|2,0,0]=4 16096 B11R1.356 CC(NCCCCS)C1CC1 e2359de4e191341d4131045e93006028 [0,1,0,1,0,0|2,0,0]=4 16097 B11R1.356 CC(OCCCC#N)C1CC1 de85a0cecb121d6033033e1e3175e860 [0,1,0,1,0,0|1,0,1]=4 16098 B11R1.356 CC(OCCCC=O)C1CC1 1918f8ffea980b25946e671783c433b0 [0,1,0,1,0,0|1,0,1]=4 16099 B11R1.356 CC(OCCCCF)C1CC1 ceb4f3b99a2bb5c32c65f9be5ba96bb6 [0,1,0,1,0,0|1,0,0]=3 16100 B11R1.356 CC(OCCCCS)C1CC1 071c301f2441a2c01fe4170a1b0cb65e [0,1,0,1,0,0|1,0,0]=3 16101 B11R1.356 CC/C=C/COC(C)C1CC1 123c6f0f2dc70bbb3c47232c1095385d [0,1,0,1,0,0|0,0,2]=4 16102 B11R1.356 CC/C=C/CO[C@@H](C)C1CC1 4ee67ab05ddff5c679e339618232042f [0,1,0,1,0,0|0,0,2]=4 16103 B11R1.356 CC/C=C/CO[C@H](C)C1CC1 bd88e828406efa8136603ae2947185d3 [0,1,0,1,0,0|0,0,2]=4 16104 B11R1.356 CC/C=C\COC(C)C1CC1 6b1026bba5752621617a4734fce35013 [0,1,0,1,0,0|0,0,2]=4 16105 B11R1.356 CCC#CCOC(C)C1CC1 506bcdac357e1835ef0c230e8c0d930b [0,1,0,1,0,0|0,0,2]=4 16106 B11R1.356 CCCCCCN(C)C1CC1 a7ba5d5f4bbcf61e7e42e20e034031e5 [0,1,0,1,0,0|2,0,0]=4 16107 B11R1.356 CCCCCNC(C)C1CC1 ae4eaeaa2b97650d76a21edc67277a31 [0,1,0,1,0,0|1,0,0]=3 16108 B11R1.356 CCCCCN[C@@H](C)C1CC1 9da28a2c4f4f6d3d6b7e2948d6a1e89c [0,1,0,1,0,0|1,0,0]=3 16109 B11R1.356 CCCCCN[C@H](C)C1CC1 897e5b8eea5e76f2d1f937a88c8c3d20 [0,1,0,1,0,0|1,0,0]=3 16110 B11R1.356 CCCCCOC(C)C1CC1 599d265d007e84791abf64930f8bcf6d [0,1,0,1,0,0|0,0,0]=2 16111 B11R1.356 CCCCCO[C@@H](C)C1CC1 3df8d533355acfd295846adc87e4810f [0,1,0,1,0,0|0,0,0]=2 16112 B11R1.356 CCCCCO[C@H](C)C1CC1 36941cc9742cdb833a51d95ae0176360 [0,1,0,1,0,0|0,0,0]=2 16113 B11R1.356 CCCCNCC(=O)C1CC1 61a433dc91a224d4fcf6f3d948bc77de [0,1,0,1,0,0|1,0,1]=4 16114 B11R1.356 CCCCNCC(O)C1CC1 a5d05ec317997322fcf0494e5ef5cb03 [0,1,0,1,0,0|1,0,0]=3 16115 B11R1.356 CCCCOCC(=O)C1CC1 bfb5de48200038b3bb391bd2ea917749 [0,1,0,1,0,0|0,0,1]=3 16116 B11R1.356 CCCCOCC(C)C1CC1 be8ad515a852f7dc7fa774f35f168098 [0,1,0,1,0,0|0,0,0]=2 16117 B11R1.356 CCCCOCN(C)C1CC1 216bc56a442e30585587e35f8677a5d5 [0,1,0,1,0,0|1,0,0]=3 16118 B11R1.356 CCCNCOC(=O)C1CC1 9103502bd22c746eb445f8a66f4b65cb [0,1,0,1,0,0|1,0,1]=4 16119 B11R1.356 CCCOCOC(=O)C1CC1 3a3923df6b28be4b17eea3ddafdc4628 [0,1,0,1,0,0|1,0,1]=4 16120 B11R1.356 CCOCCNC(C)C1CC1 448b86e5efbae6d5555cc480d09db056 [0,1,0,1,0,0|2,0,0]=4 16121 B11R1.356 CCOCCN[C@@H](C)C1CC1 109651de8e846f65387ed1a33c30ebe8 [0,1,0,1,0,0|2,0,0]=4 16122 B11R1.356 CCOCCN[C@H](C)C1CC1 b9c3f4aafea060dfcc28358961045e2f [0,1,0,1,0,0|2,0,0]=4 16123 B11R1.356 CCOCCOC(C)C1CC1 308f06daa165f4ac6120f6e38e579b7e [0,1,0,1,0,0|1,0,0]=3 16124 B11R1.356 CCOCCO[C@@H](C)C1CC1 13dfdd2b2b772fbb126ffa7594ee0e32 [0,1,0,1,0,0|1,0,0]=3 16125 B11R1.356 CCOCCO[C@H](C)C1CC1 c55fb26a0ad580746e49044fccadb253 [0,1,0,1,0,0|1,0,0]=3 16126 B11R1.356 CCOCNCC(O)C1CC1 969e35c1a38e92d9cdf51fdb6ad754bc [0,1,0,1,0,0|2,0,0]=4 16127 B11R1.356 CCOCOCC(=O)C1CC1 d47b9bb8ff1901eed21837fc7b95459a [0,1,0,1,0,0|1,0,1]=4 16128 B11R1.356 CCSCCNC(C)C1CC1 05741e655ab1c568db7a17d7e17980e4 [0,1,0,1,0,0|2,0,0]=4 16129 B11R1.356 CCSCCN[C@@H](C)C1CC1 d4b87adbb2b7eb6509e58477ca7c7e20 [0,1,0,1,0,0|2,0,0]=4 16130 B11R1.356 CCSCCN[C@H](C)C1CC1 773b4140f779a14b64aa21b41651efef [0,1,0,1,0,0|2,0,0]=4 16131 B11R1.356 CCSCCOC(C)C1CC1 3ec5702642b1e985104eeca2bc7a1698 [0,1,0,1,0,0|1,0,0]=3 16132 B11R1.356 CCSCCO[C@@H](C)C1CC1 e7371ce17bc2b0257fe1e6d99de15c43 [0,1,0,1,0,0|1,0,0]=3 16133 B11R1.356 CCSCCO[C@H](C)C1CC1 1b4efe57d623541fe0e96df4b82feb06 [0,1,0,1,0,0|1,0,0]=3 16134 B11R1.356 COCCCNC(C)C1CC1 4bfc8f4d5f6930096d57a731c6d97e9d [0,1,0,1,0,0|2,0,0]=4 16135 B11R1.356 COCCCN[C@@H](C)C1CC1 73548917d58b1b8bdc6f9659e1140dfa [0,1,0,1,0,0|2,0,0]=4 16136 B11R1.356 COCCCN[C@H](C)C1CC1 457c478fadcb399b420306b3c97927d7 [0,1,0,1,0,0|2,0,0]=4 16137 B11R1.356 COCCCOC(C)C1CC1 4c29a25f52c8f24e38c8030c94717d0d [0,1,0,1,0,0|1,0,0]=3 16138 B11R1.356 COCCCO[C@@H](C)C1CC1 16c8b042feb2f00f156da23ef43a904d [0,1,0,1,0,0|1,0,0]=3 16139 B11R1.356 COCCCO[C@H](C)C1CC1 6eaf0f9d69d90d8f445b4661b1da924e [0,1,0,1,0,0|1,0,0]=3 16140 B11R1.356 COCCNCC(O)C1CC1 1fadaad6edbf7429a184d41a0d1143c2 [0,1,0,1,0,0|2,0,0]=4 16141 B11R1.356 COCCOCC(=O)C1CC1 57cf9d6b7514a7ef323662dbccb48f23 [0,1,0,1,0,0|1,0,1]=4 16142 B11R1.356 COCCOCC(C)C1CC1 a698dd22eeef14dbaef71afd497aedd9 [0,1,0,1,0,0|1,0,0]=3 16143 B11R1.356 COCCOCN(C)C1CC1 de3a1e6bc4002ec80c9eb02c8d8b24be [0,1,0,1,0,0|2,0,0]=4 16144 B11R1.356 CSCCCNC(C)C1CC1 05565134abbef0d9df7e58ebd9c432b7 [0,1,0,1,0,0|2,0,0]=4 16145 B11R1.356 CSCCCN[C@@H](C)C1CC1 2cee4b13f45d185449bce4ee2f58243b [0,1,0,1,0,0|2,0,0]=4 16146 B11R1.356 CSCCCN[C@H](C)C1CC1 c0920e973c46a3be072d76df698e986b [0,1,0,1,0,0|2,0,0]=4 16147 B11R1.356 CSCCCOC(C)C1CC1 5001d6e3979496c6295d47ebfd282eed [0,1,0,1,0,0|1,0,0]=3 16148 B11R1.356 CSCCCO[C@@H](C)C1CC1 daf6585f57bb80112f4cb6bc8d47528f [0,1,0,1,0,0|1,0,0]=3 16149 B11R1.356 CSCCCO[C@H](C)C1CC1 724db513f5854ff8636f2046d93b6c60 [0,1,0,1,0,0|1,0,0]=3 16150 B11R1.356 CSCCNCC(O)C1CC1 98f7a2e018e9aa76157fb43cce4076b6 [0,1,0,1,0,0|2,0,0]=4 16151 B11R1.356 CSCCOCC(=O)C1CC1 e4961c12db240bfbb61392c5102b4068 [0,1,0,1,0,0|1,0,1]=4 16152 B11R1.356 CSCCOCC(C)C1CC1 05029257f49c124a9a403fa5648478ff [0,1,0,1,0,0|1,0,0]=3 16153 B11R1.356 C[C@@H](NCCCCF)C1CC1 83be3dd2d61d82186b12acfbe87634a2 [0,1,0,1,0,0|2,0,0]=4 16154 B11R1.356 C[C@@H](NCCCCO)C1CC1 cd3ed37b0e0e561b8a8fdfd34b224c74 [0,1,0,1,0,0|2,0,0]=4 16155 B11R1.356 C[C@@H](OCCCC#N)C1CC1 09378088a6959c88117936d8ad2d008f [0,1,0,1,0,0|1,0,1]=4 16156 B11R1.356 C[C@@H](OCCCC=O)C1CC1 ce9173f5f3e1292f9f4695e21a1746c2 [0,1,0,1,0,0|1,0,1]=4 16157 B11R1.356 C[C@@H](OCCCCF)C1CC1 35c83e74e48775d44fa36afbc7534486 [0,1,0,1,0,0|1,0,0]=3 16158 B11R1.356 C[C@H](NCCCCF)C1CC1 e0eea307e43a615f55289ba8a60ccdcb [0,1,0,1,0,0|2,0,0]=4 16159 B11R1.356 C[C@H](NCCCCO)C1CC1 4c8036261cc51f40e95ebe8f34a631a4 [0,1,0,1,0,0|2,0,0]=4 16160 B11R1.356 C[C@H](OCCCC#N)C1CC1 55e1ea74cc3f9cbe1d8bd7fa85ebbeec [0,1,0,1,0,0|1,0,1]=4 16161 B11R1.356 C[C@H](OCCCC=O)C1CC1 48ad220669873ca7e85380232ec2fd98 [0,1,0,1,0,0|1,0,1]=4 16162 B11R1.356 C[C@H](OCCCCF)C1CC1 51865543724a500f0014c965c858208f [0,1,0,1,0,0|1,0,0]=3 16163 B11R1.356 O=C(COCCCF)C1CC1 6bef7421804431aa4d1e7c642d6e12d6 [0,1,0,1,0,0|1,0,1]=4 16164 B11R1.356 O=C(COCCCS)C1CC1 326da6225b9a6a821f128af859d142e3 [0,1,0,1,0,0|1,0,1]=4 16165 B11R1.356 OC(CNCCCCl)C1CC1 87cca90640993c2fa6096c3948d85620 [0,1,0,1,0,0|2,0,0]=4 16166 B11R1.356 OC(CNCCCF)C1CC1 cad569e856bb8955b0215de58b20152f [0,1,0,1,0,0|2,0,0]=4 16167 B11R1.356 OC(CNCCCS)C1CC1 512f39390057a27ce6448f73f43f2071 [0,1,0,1,0,0|2,0,0]=4 16168 B11R1.356 OCCCNCC(O)C1CC1 1f195f2f7360e6515dc92435a292f560 [0,1,0,1,0,0|2,0,0]=4 16169 B11R1.360 CC1CC(N1CCCCF)C 581c8b964d9cc393a2044b012f405ece [0,1,0,1,0,0|2,0,0]=4 16170 B11R1.360 CC1CC(N1CCCCO)C d61f6fb3f494439bdd785d92b8d6dadf [0,1,0,1,0,0|2,0,0]=4 16171 B11R1.360 CCCCCN1C(CC1C)C 27e48728f65e920ef2f8d4e7ba9330c7 [0,1,0,1,0,0|1,0,0]=3 16172 B11R1.360 CCCCCN1[C@@H](C[C@@H]1C)C fc5b16b095ba4fb368a4a2742db50dda [0,1,0,1,0,0|1,0,0]=3 16173 B11R1.360 CCCCCN1[C@@H](C[C@H]1C)C d886a12d57ceaf99afa30a897baf19fe [0,1,0,1,0,0|1,0,0]=3 16174 B11R1.360 CCCCCN1[C@H](C[C@@H]1C)C 4cfdd33d41f0d7312bc515bcd944557a [0,1,0,1,0,0|1,0,0]=3 16175 B11R1.360 CCOCCN1C(CC1C)C b418a8026a92ef71271f90fcbbe5a74b [0,1,0,1,0,0|2,0,0]=4 16176 B11R1.360 CCOCCN1[C@@H](C[C@@H]1C)C 5b935636c03435b8cb6626db6864f41d [0,1,0,1,0,0|2,0,0]=4 16177 B11R1.360 CCOCCN1[C@@H](C[C@H]1C)C 9a738c51280bdf6dd28acb180457fa6f [0,1,0,1,0,0|2,0,0]=4 16178 B11R1.360 CCOCCN1[C@H](C[C@@H]1C)C 06e31272294762c4a809d717c2c43140 [0,1,0,1,0,0|2,0,0]=4 16179 B11R1.360 CCSCCN1C(CC1C)C 06af46d776ab60eb25a668362083afb5 [0,1,0,1,0,0|2,0,0]=4 16180 B11R1.360 CCSCCN1[C@@H](C[C@@H]1C)C 3aaad91e693276b6e458eeb72814014d [0,1,0,1,0,0|2,0,0]=4 16181 B11R1.360 CCSCCN1[C@@H](C[C@H]1C)C 5f2b7d80479fcc30b6449490dbb0ae5b [0,1,0,1,0,0|2,0,0]=4 16182 B11R1.360 CCSCCN1[C@H](C[C@@H]1C)C 1abc3ab989852493c1986d14473fdc21 [0,1,0,1,0,0|2,0,0]=4 16183 B11R1.360 COCCCN1C(CC1C)C 297655fea7072d88fb03a7877e73da3f [0,1,0,1,0,0|2,0,0]=4 16184 B11R1.360 COCCCN1[C@@H](C[C@@H]1C)C 2e6de95a12c48daffc2cc8b2976a9f85 [0,1,0,1,0,0|2,0,0]=4 16185 B11R1.360 COCCCN1[C@@H](C[C@H]1C)C 95e09e060158b395cc52fa345827baff [0,1,0,1,0,0|2,0,0]=4 16186 B11R1.360 COCCCN1[C@H](C[C@@H]1C)C 3c2df7be0f30216e941ba515f88cde4b [0,1,0,1,0,0|2,0,0]=4 16187 B11R1.360 CSCCCN1C(CC1C)C 6bd3803b8210bc7ef6e88402d7340f6a [0,1,0,1,0,0|2,0,0]=4 16188 B11R1.360 CSCCCN1[C@@H](C[C@@H]1C)C f2770742d11cbc9cac3ca5edf56a907f [0,1,0,1,0,0|2,0,0]=4 16189 B11R1.360 CSCCCN1[C@@H](C[C@H]1C)C ef72b5128356dc004a9a7f1ac9f9060b [0,1,0,1,0,0|2,0,0]=4 16190 B11R1.360 CSCCCN1[C@H](C[C@@H]1C)C 5b48841c29c3e05af7458d042a2140b1 [0,1,0,1,0,0|2,0,0]=4 16191 B11R1.360 C[C@@H]1C[C@@H](N1CCCCF)C 35482cce4a37b30e3a799be598030c73 [0,1,0,1,0,0|2,0,0]=4 16192 B11R1.360 C[C@@H]1C[C@@H](N1CCCCO)C cd9a787a59ec6ce9ebeabe974e3ce2d6 [0,1,0,1,0,0|2,0,0]=4 16193 B11R1.360 C[C@@H]1C[C@H](N1CCCCF)C 7642b42f8bb5e17d5e7a7ce0ba54a1f7 [0,1,0,1,0,0|2,0,0]=4 16194 B11R1.360 C[C@@H]1C[C@H](N1CCCCO)C 369433fd157c185b7a2a52016f08ffb9 [0,1,0,1,0,0|2,0,0]=4 16195 B11R1.360 C[C@H]1C[C@@H](N1CCCCF)C daaa0d8f6e06d848ab801ef5779e93f3 [0,1,0,1,0,0|2,0,0]=4 16196 B11R1.360 C[C@H]1C[C@@H](N1CCCCO)C db68b538216c22d44c6e2ba2d8bc7f73 [0,1,0,1,0,0|2,0,0]=4 16197 B11R1.540 CC1(CC1F)COCCCF 51f66ee39aeda5802c2f0cbe8e1bde7a [0,1,0,1,0,0|2,0,0]=4 16198 B11R1.540 CC1(CC1F)COCCCS f06da55fced2ec88b6fa27a5adaf8065 [0,1,0,1,0,0|2,0,0]=4 16199 B11R1.540 CCCCOCC1(CC1F)C 2aca732dbfae68a1af5f39282839982b [0,1,0,1,0,0|1,0,0]=3 16200 B11R1.540 CCOCOCC1(CC1F)C 4af8c3e8ee0b359d8e3cba54050d3211 [0,1,0,1,0,0|2,0,0]=4 16201 B11R1.540 COCCOCC1(CC1F)C 72b17815906249870582228501657498 [0,1,0,1,0,0|2,0,0]=4 16202 B11R1.540 CSCCOCC1(CC1F)C 70152afad87dd1e2507cae0b6c3ab67c [0,1,0,1,0,0|2,0,0]=4 16203 B11R1.779 CCNC1(CCCCCC1)C 5b10ef60a982c40a94b9fbea5c12bc30 [0,1,0,1,0,0|2,0,0]=4 16204 B11R1.899 C#CCCOCC1(CCC1)C 166311c5cacf902df4892637a0accdfe [0,1,0,1,0,0|0,0,2]=4 16205 B11R1.899 C#CCCOCC1(CCC1)F f72948da0573340d45eef792172dded9 [0,1,0,1,0,0|0,0,2]=4 16206 B11R1.899 C/C=C/COCC1(CCC1)C d6b2bd0c6c4b7d3dbaf6f46ff7846048 [0,1,0,1,0,0|0,0,2]=4 16207 B11R1.899 C/C=C/COCC1(CCC1)F b41c13f306d4601eb0084d7cd3954651 [0,1,0,1,0,0|0,0,2]=4 16208 B11R1.899 C/C=C\COCC1(CCC1)C 83a43e03f85121aefc29c08b42c2e777 [0,1,0,1,0,0|0,0,2]=4 16209 B11R1.899 C/C=C\COCC1(CCC1)F faca982cd18b98917b949fe1122ec7f8 [0,1,0,1,0,0|0,0,2]=4 16210 B11R1.899 C=CCCOCC1(CCC1)C 2f811b33b66f9c7ebbb8224ccb188325 [0,1,0,1,0,0|0,0,2]=4 16211 B11R1.899 C=CCCOCC1(CCC1)F cc54ef74082185d3f55b1c9869bffa9f [0,1,0,1,0,0|0,0,2]=4 16212 B11R1.899 CC#CCOCC1(CCC1)C 0c107e8ef6afabc6a4b8ce4454df05f0 [0,1,0,1,0,0|0,0,2]=4 16213 B11R1.899 CC1(CCC1)CNCCCCl b85e45922680938f05fc77b516704285 [0,1,0,1,0,0|2,0,0]=4 16214 B11R1.899 CC1(CCC1)CNCCCO 16d0e352bb42b56c3316087cd4bec02f [0,1,0,1,0,0|2,0,0]=4 16215 B11R1.899 CC1(CCC1)COCCC#N 1e60cca9dd3bf80ebf3f8cef8035573a [0,1,0,1,0,0|1,0,1]=4 16216 B11R1.899 CC1(CCC1)COCCC=O 7371ea2e65a0c825db79c128ec23d660 [0,1,0,1,0,0|1,0,1]=4 16217 B11R1.899 CC1(CCC1)COCCCF 8ac659fdcc296dba926b0626fed13e97 [0,1,0,1,0,0|1,0,0]=3 16218 B11R1.899 CC1(CCC1)COCCCS 7aace7d30b9fdf61fc26f4c0c1c08a26 [0,1,0,1,0,0|1,0,0]=3 16219 B11R1.899 CC1(CCC1)NCCCCF 0daaa5c2492f11cb20974a0f1e7e0183 [0,1,0,1,0,0|2,0,0]=4 16220 B11R1.899 CC1(CCC1)NCCCCO f7d439fbe4b8216b0b4ccfabd2fcc859 [0,1,0,1,0,0|2,0,0]=4 16221 B11R1.899 CC1(CCO1)COCCCF cde30226c32c803602736e3ff56e29d2 [0,1,0,1,0,0|2,0,0]=4 16222 B11R1.899 CC1(CCO1)COCCCS e3c5fff211036641019c6d396c642d44 [0,1,0,1,0,0|2,0,0]=4 16223 B11R1.899 CC1(COC1)COCCCF aa5efeaf58aba12ab07dfdbe470092ff [0,1,0,1,0,0|2,0,0]=4 16224 B11R1.899 CC1(COC1)COCCCS 86a0a296cf2d4d6b0e171e14bfcc5012 [0,1,0,1,0,0|2,0,0]=4 16225 B11R1.899 CC1(CSC1)COCCCF ce457d1f654c068b460436b8f7b9a38e [0,1,0,1,0,0|2,0,0]=4 16226 B11R1.899 CC1(CSC1)COCCCS 3764194ce767c69558278986be28f559 [0,1,0,1,0,0|2,0,0]=4 16227 B11R1.899 CC=CCOCC1(CCC1)C a830ddf7f48db7d04b05909bb7c01e55 [0,1,0,1,0,0|0,0,2]=4 16228 B11R1.899 CCCCCNC1(CCC1)C a76994ac4a7b48d54cc66d016c25bf15 [0,1,0,1,0,0|1,0,0]=3 16229 B11R1.899 CCCCCNC1(COC1)C 6403d65b100e43a04f6828b3c98d5131 [0,1,0,1,0,0|2,0,0]=4 16230 B11R1.899 CCCCCNC1(CSC1)C dace7f0296a3a2a441bf9951756f53f3 [0,1,0,1,0,0|2,0,0]=4 16231 B11R1.899 CCCCNCC1(CCC1)C 579f3a581ab369e8c489427fe7ddc76a [0,1,0,1,0,0|1,0,0]=3 16232 B11R1.899 CCCCNCC1(CCC1)O af7b9835bcaec358eb42b861236889e9 [0,1,0,1,0,0|1,0,0]=3 16233 B11R1.899 CCCCNCC1(CCO1)C a10f823306c09f3b9bcee15f05ebb55c [0,1,0,1,0,0|2,0,0]=4 16234 B11R1.899 CCCCNCC1(COC1)C 503fb87032d181c50c0444dad21ad45c [0,1,0,1,0,0|2,0,0]=4 16235 B11R1.899 CCCCNCC1(COC1)F 1016d888360a7ae962d7f5ed29bda343 [0,1,0,1,0,0|2,0,0]=4 16236 B11R1.899 CCCCNCC1(COC1)O 667367944b0e912ecbb1f1ff498f4e39 [0,1,0,1,0,0|2,0,0]=4 16237 B11R1.899 CCCCNC[C@@]1(CCO1)C 810a8f1978e5d27f0e1bc3727d568bf4 [0,1,0,1,0,0|2,0,0]=4 16238 B11R1.899 CCCCOCC1(CCC1)C a11cf7e92847d6000abd1ff9ea33e61d [0,1,0,1,0,0|0,0,0]=2 16239 B11R1.899 CCCCOCC1(CCC1)F 9f03d33832de5e98c5a1dd620e21cd0e [0,1,0,1,0,0|0,0,0]=2 16240 B11R1.899 CCCCOCC1(CCO1)C 38e81ef046bec7456e995df52b7cb72f [0,1,0,1,0,0|1,0,0]=3 16241 B11R1.899 CCCCOCC1(COC1)C 60e7a12a717f9f7e931b510589ffc678 [0,1,0,1,0,0|1,0,0]=3 16242 B11R1.899 CCCCOCC1(COC1)F eb46c517a0a97a59f3e6655b5a7e16c5 [0,1,0,1,0,0|1,0,0]=3 16243 B11R1.899 CCCCOCC1(CSC1)C 690fd39f828d78e7c3ba2622c9d38857 [0,1,0,1,0,0|1,0,0]=3 16244 B11R1.899 CCCCOC[C@@]1(CCO1)C 4c4cebaa9b924c3bf61196852d061f7a [0,1,0,1,0,0|1,0,0]=3 16245 B11R1.899 CCCCOC[C@]1(CCO1)C 3b8b06d963e7863de3a37b7efa843640 [0,1,0,1,0,0|1,0,0]=3 16246 B11R1.899 CCCNCCC1(CCC1)O 572df6308551aab06becef30391bffcf [0,1,0,1,0,0|2,0,0]=4 16247 B11R1.899 CCOCCNC1(CCC1)C 08b628061d74c4fec7e6b4d6bb7d6afe [0,1,0,1,0,0|2,0,0]=4 16248 B11R1.899 CCOCNCC1(CCC1)O 855db0f5edd8612dcee014bd2931eff7 [0,1,0,1,0,0|2,0,0]=4 16249 B11R1.899 CCOCOCC1(CCC1)C 03f2c5e82db4dfc60340e367095efafb [0,1,0,1,0,0|1,0,0]=3 16250 B11R1.899 CCOCOCC1(CCC1)F 5601cfed2f83c8f543b7bcba5b8d063c [0,1,0,1,0,0|1,0,0]=3 16251 B11R1.899 CCOCOCC1(CCO1)C f55fcce0d9a53797ac159a4339e1c327 [0,1,0,1,0,0|2,0,0]=4 16252 B11R1.899 CCOCOCC1(COC1)C edffcc748943a9b3451fd985850311df [0,1,0,1,0,0|2,0,0]=4 16253 B11R1.899 CCOCOCC1(COC1)F 4371a4cdc58f10814519dc19cb5a9af6 [0,1,0,1,0,0|2,0,0]=4 16254 B11R1.899 CCOCOCC1(CSC1)C fa141952ea414e1d7373e61732af9e61 [0,1,0,1,0,0|2,0,0]=4 16255 B11R1.899 CCOCOC[C@@]1(CCO1)C a13b6c1839f2cfc020debdc5fc22b75f [0,1,0,1,0,0|2,0,0]=4 16256 B11R1.899 CCOCOC[C@]1(CCO1)C 895fe76dab19749396283d0075a95ffd [0,1,0,1,0,0|2,0,0]=4 16257 B11R1.899 CCSCCNC1(CCC1)C 7184800c6125b54cf77bcb251f96cb3d [0,1,0,1,0,0|2,0,0]=4 16258 B11R1.899 COCCCNC1(CCC1)C 1f0b3c19f789bbd055620ce8c01e6c7b [0,1,0,1,0,0|2,0,0]=4 16259 B11R1.899 COCCNCC1(CCC1)C e96c56f471d9e19392819fee7b0e0512 [0,1,0,1,0,0|2,0,0]=4 16260 B11R1.899 COCCNCC1(CCC1)O ebc4b50607c562ac0f3e2027d63882cb [0,1,0,1,0,0|2,0,0]=4 16261 B11R1.899 COCCOCC1(CCC1)C c061a20685768dca21c8af885efe6c56 [0,1,0,1,0,0|1,0,0]=3 16262 B11R1.899 COCCOCC1(CCC1)F af29e07308a14b542ba4bf2fa9ed137e [0,1,0,1,0,0|1,0,0]=3 16263 B11R1.899 COCCOCC1(CCO1)C 95dfe736cdb38b6f983e3f17eba6a0da [0,1,0,1,0,0|2,0,0]=4 16264 B11R1.899 COCCOCC1(COC1)C 6f053f8a4ddfbb75890a80aa14c2e6b9 [0,1,0,1,0,0|2,0,0]=4 16265 B11R1.899 COCCOCC1(COC1)F 39089f3c2dea450e6f7f391b373a6de6 [0,1,0,1,0,0|2,0,0]=4 16266 B11R1.899 COCCOCC1(CSC1)C b488e6518a723b2f19a4c2130ce3df24 [0,1,0,1,0,0|2,0,0]=4 16267 B11R1.899 COCCOC[C@@]1(CCO1)C 9a8359fe12cdadfdcd1e664fa5234043 [0,1,0,1,0,0|2,0,0]=4 16268 B11R1.899 COCCOC[C@]1(CCO1)C cec9d38e258e572ac684f7ec834d2bd3 [0,1,0,1,0,0|2,0,0]=4 16269 B11R1.899 CSCCCNC1(CCC1)C 554187493a32373d2afb97ef5fcbf375 [0,1,0,1,0,0|2,0,0]=4 16270 B11R1.899 CSCCNCC1(CCC1)C 2f1fbe1c1204af81fa1bf63aa7faf12b [0,1,0,1,0,0|2,0,0]=4 16271 B11R1.899 CSCCNCC1(CCC1)O 2533a1d4ec8dc961233cc7074ceae3c7 [0,1,0,1,0,0|2,0,0]=4 16272 B11R1.899 CSCCOCC1(CCC1)C 2a3f83b405e8ef7431ad7426559fc1a7 [0,1,0,1,0,0|1,0,0]=3 16273 B11R1.899 CSCCOCC1(CCC1)F 3348426db0c25de890cbb496ae83aa8d [0,1,0,1,0,0|1,0,0]=3 16274 B11R1.899 CSCCOCC1(CCO1)C bbdb0c6a240f392150c3811c4b638f91 [0,1,0,1,0,0|2,0,0]=4 16275 B11R1.899 CSCCOCC1(COC1)C a84e8234c742f7f92d5cf3539ddac911 [0,1,0,1,0,0|2,0,0]=4 16276 B11R1.899 CSCCOCC1(COC1)F 219b680c96b20fadde53a794c9bed4f8 [0,1,0,1,0,0|2,0,0]=4 16277 B11R1.899 CSCCOCC1(CSC1)C 46df363481a55a963aa76ed1e1db868c [0,1,0,1,0,0|2,0,0]=4 16278 B11R1.899 CSCCOC[C@@]1(CCO1)C 8adb9d89727a151e24385c1c513b678f [0,1,0,1,0,0|2,0,0]=4 16279 B11R1.899 CSCCOC[C@]1(CCO1)C b9e8a58c344a0383f512d211ff798ca8 [0,1,0,1,0,0|2,0,0]=4 16280 B11R1.899 C[C@@]1(CCO1)COCCCF 159aeadd06bdb03b4748179d3cac83d6 [0,1,0,1,0,0|2,0,0]=4 16281 B11R1.899 C[C@@]1(CCO1)COCCCS a3f483772d3aab006ba57c677f68359e [0,1,0,1,0,0|2,0,0]=4 16282 B11R1.899 C[C@]1(CCO1)COCCCF 7a022e21badbe8df27c0c5ac4a28fbdf [0,1,0,1,0,0|2,0,0]=4 16283 B11R1.899 C[C@]1(CCO1)COCCCS af104785db5fa48d5b2ca8c34025b134 [0,1,0,1,0,0|2,0,0]=4 16284 B11R1.899 FC1(CCC1)COCCCS bb9952f4a011f3a973ec10b901f647ef [0,1,0,1,0,0|1,0,0]=3 16285 B11R1.899 FC1(COC1)COCCCS f0418fc8ecff078b68650000e04abafb [0,1,0,1,0,0|2,0,0]=4 16286 B11R1.899 FCCCOCC1(CCC1)F 232d5fa22e625b77872331732a382230 [0,1,0,1,0,0|1,0,0]=3 16287 B11R1.899 FCCCOCC1(COC1)F cc323793c24674861260d4918f8b5b1f [0,1,0,1,0,0|2,0,0]=4 16288 B11R1.899 N#CCCOCC1(CCC1)F 24d910537f3e8ddc24e4e5c7aa70dd5b [0,1,0,1,0,0|1,0,1]=4 16289 B11R1.899 O=CCCOCC1(CCC1)F cd7eec29387bf4acd9b4884b24b42860 [0,1,0,1,0,0|1,0,1]=4 16290 B11R1.899 OC1(CCC1)CNCCCF 1559e14cc0767296f772fd05f1fde402 [0,1,0,1,0,0|2,0,0]=4 16291 B11R1.899 OC1(CCC1)CNCCCS 0457c879b148a742b7611d09e983d32d [0,1,0,1,0,0|2,0,0]=4 16292 B11R1.899 OCCCNCC1(CCC1)O 1d1eec4ff7286e14a02cdf9021717600 [0,1,0,1,0,0|2,0,0]=4 16293 B11R1.27 C#CCCOC1CCC(C1)C 48e309f85645d1cb4710ba1f85b4a38c [0,1,0,1,0,0|0,0,2]=4 16294 B11R1.27 C#CCCOC1CCC(C1)F 9e256edd30fef52845de9990f4177f3c [0,1,0,1,0,0|0,0,2]=4 16295 B11R1.27 C/C=C/COC1CCC(C1)C 43e395976da9e7d05f438dd97307c4e9 [0,1,0,1,0,0|0,0,2]=4 16296 B11R1.27 C/C=C/COC1CCC(C1)F 52c084065962cc14cdf0f46323963790 [0,1,0,1,0,0|0,0,2]=4 16297 B11R1.27 C/C=C\COC1CCC(C1)C f4d8bc690fe7d3f7420e14ead4721b23 [0,1,0,1,0,0|0,0,2]=4 16298 B11R1.27 C/C=C\COC1CCC(C1)F a73c277c7c8ef333085631d35deddcb8 [0,1,0,1,0,0|0,0,2]=4 16299 B11R1.27 C=CCCOC1CCC(C1)C dfe53e749bb39c4608bd07bc902806eb [0,1,0,1,0,0|0,0,2]=4 16300 B11R1.27 C=CCCOC1CCC(C1)F 01f81439a4f3a4a9552efaeb0e7ed488 [0,1,0,1,0,0|0,0,2]=4 16301 B11R1.27 CC#CCOC1CCC(C1)C a6c6cd99a1535471518ba718175bd46d [0,1,0,1,0,0|0,0,2]=4 16302 B11R1.27 CC1CC(CO1)OCCCF b808552677af5a10c3ec45c09907a610 [0,1,0,1,0,0|2,0,0]=4 16303 B11R1.27 CC1CC(CO1)OCCCS b089722f9141ef4293d8f5538db240ba [0,1,0,1,0,0|2,0,0]=4 16304 B11R1.27 CC1CCC(C1)NCCCF 756789d51106b82e07d7f2c17f13111a [0,1,0,1,0,0|2,0,0]=4 16305 B11R1.27 CC1CCC(C1)NCCCO e6bea48f0cd52950b0c3763efdeefae9 [0,1,0,1,0,0|2,0,0]=4 16306 B11R1.27 CC1CCC(C1)NCCCS 55851e37e96ba2d157c59afff7890ced [0,1,0,1,0,0|2,0,0]=4 16307 B11R1.27 CC1CCC(C1)OCCC#N e4ee8d1ecd6d4d5b2d068bb3173c8291 [0,1,0,1,0,0|1,0,1]=4 16308 B11R1.27 CC1CCC(C1)OCCC=O b143206a7e7e7afc08f7e0614ea630b9 [0,1,0,1,0,0|1,0,1]=4 16309 B11R1.27 CC1CCC(C1)OCCCF dee2bc2430aa1f4318dd4ec239d14485 [0,1,0,1,0,0|1,0,0]=3 16310 B11R1.27 CC1CCC(C1)OCCCS c7e5faa65311c11e1ced7245326f88aa [0,1,0,1,0,0|1,0,0]=3 16311 B11R1.27 CC1CCN(C1)CCCCF e620ea968ce77117cba6bc1e89052060 [0,1,0,1,0,0|2,0,0]=4 16312 B11R1.27 CC1CCN(C1)CCCCO 224e03161f8f20e3c7ae0363d5ac9e22 [0,1,0,1,0,0|2,0,0]=4 16313 B11R1.27 CCCCCN1CCC(C1)C fb2c748fd271d5b579dbb78daa840a82 [0,1,0,1,0,0|1,0,0]=3 16314 B11R1.27 CCCCCN1CCC(C1)F dcdf38a1ff0aed7c47c1296d6b732a5a [0,1,0,1,0,0|1,0,0]=3 16315 B11R1.27 CCCCCN1CCC(C1)O 660096ddac722e564b18325f84033519 [0,1,0,1,0,0|1,0,0]=3 16316 B11R1.27 CCCCCN1CCN(C1)C 78f197300af595aab8bd60e9a4ac0dd0 [0,1,0,1,0,0|2,0,0]=4 16317 B11R1.27 CCCCCN1CC[C@@H](C1)F 07ccd4f8e9d1c0252346a257ee92e149 [0,1,0,1,0,0|1,0,0]=3 16318 B11R1.27 CCCCCN1CC[C@@H](C1)O 3f857e5b4f1bf1f28ca72d51565fac9a [0,1,0,1,0,0|1,0,0]=3 16319 B11R1.27 CCCCCN1CC[C@H](C1)F 6c274fcd91acde60c2d4bf57132fa3e6 [0,1,0,1,0,0|1,0,0]=3 16320 B11R1.27 CCCCCN1CC[C@H](C1)O c2d51d12d99d3cf79d5b992d16394bbb [0,1,0,1,0,0|1,0,0]=3 16321 B11R1.27 CCCCNC1CCC(C1)C 3f726e6ee48b884d766cc258fb188039 [0,1,0,1,0,0|1,0,0]=3 16322 B11R1.27 CCCCNC1CCC(C1)O 9779be9d468f275a75a474b7205d6fec [0,1,0,1,0,0|1,0,0]=3 16323 B11R1.27 CCCCNC1CCN(C1)C 379f4ed693dc8c1584569bf1c490ec43 [0,1,0,1,0,0|2,0,0]=4 16324 B11R1.27 CCCCNC1COC(C1)C a4cd03523d389ddcc93f6a14f5c6dee8 [0,1,0,1,0,0|2,0,0]=4 16325 B11R1.27 CCCCN[C@@H]1CCN(C1)C c42889982273b8f874a1d7251582842f [0,1,0,1,0,0|2,0,0]=4 16326 B11R1.27 CCCCN[C@@H]1CC[C@@H](C1)O 618052d677bb6e8e7b25993672363612 [0,1,0,1,0,0|1,0,0]=3 16327 B11R1.27 CCCCN[C@@H]1CC[C@H](C1)O 1603ca0ea566b98e9eb9775e24490ec8 [0,1,0,1,0,0|1,0,0]=3 16328 B11R1.27 CCCCN[C@H]1CCN(C1)C 18fcbeced0cf427b795d98668e833a44 [0,1,0,1,0,0|2,0,0]=4 16329 B11R1.27 CCCCN[C@H]1CC[C@@H](C1)O d58d5e17a6423379fd405f9d6cfdc172 [0,1,0,1,0,0|1,0,0]=3 16330 B11R1.27 CCCCN[C@H]1CC[C@H](C1)O 63d9dcebd98e728c12860738358fe144 [0,1,0,1,0,0|1,0,0]=3 16331 B11R1.27 CCCCOC1CCC(=O)C1 727929739aee4fa06897e895ceb533a0 [0,1,0,1,0,0|0,0,1]=3 16332 B11R1.27 CCCCOC1CCC(C1)C e0bdb5920e333bd129d6c771159bdc88 [0,1,0,1,0,0|0,0,0]=2 16333 B11R1.27 CCCCOC1CCC(C1)F f689e02074fa35241ee0991d4d0af9c2 [0,1,0,1,0,0|0,0,0]=2 16334 B11R1.27 CCCCOC1CCN(C1)C 34c4a3daa30f1c28ac85a0344e2ae322 [0,1,0,1,0,0|1,0,0]=3 16335 B11R1.27 CCCCOC1CNC(=O)C1 7f0b2d607a6fb4cfb285edbd6a01ecd2 [0,1,0,1,0,0|1,0,1]=4 16336 B11R1.27 CCCCOC1COC(=O)C1 8942dfa70be1c441ce518d6c18bc17ef [0,1,0,1,0,0|1,0,1]=4 16337 B11R1.27 CCCCOC1COC(C1)C e767ab64cb12a67d3d5240952c50229c [0,1,0,1,0,0|1,0,0]=3 16338 B11R1.27 CCCCO[C@@H]1CCN(C1)C fd8a9381768349fcd3774c1f7e5722c6 [0,1,0,1,0,0|1,0,0]=3 16339 B11R1.27 CCCCO[C@@H]1CNC(=O)C1 1cb79a6d122f6612397547c0306298dd [0,1,0,1,0,0|1,0,1]=4 16340 B11R1.27 CCCCO[C@@H]1COC(=O)C1 18b802b82b8c088a6fdfd2d0aad01e77 [0,1,0,1,0,0|1,0,1]=4 16341 B11R1.27 CCCCO[C@H]1CCN(C1)C f9b90800d66794eeafbd6b5624db065a [0,1,0,1,0,0|1,0,0]=3 16342 B11R1.27 CCCCO[C@H]1CNC(=O)C1 60e2710570a4df3b30f2d0357c7f1312 [0,1,0,1,0,0|1,0,1]=4 16343 B11R1.27 CCCCO[C@H]1COC(=O)C1 b8f4980b8ebe3abcee6815a8b1a7bed5 [0,1,0,1,0,0|1,0,1]=4 16344 B11R1.27 CCCNCC1CCC(C1)O 69767a48d5e511dcb48e6df252c878ee [0,1,0,1,0,0|2,0,0]=4 16345 B11R1.27 CCCOCC1CCC(C1)C 819058e3ecf0d52c49ee3a150c8e2ef6 [0,1,0,1,0,0|2,0,0]=4 16346 B11R1.27 CCCOCC1CCC(C1)F 87719ac22c4738670ba9dd72d068fc80 [0,1,0,1,0,0|2,0,0]=4 16347 B11R1.27 CCCOCC1CCC(O1)C 7245c0506fa318f9ec0ffb8bd206fb82 [0,1,0,1,0,0|2,0,0]=4 16348 B11R1.27 CCCOC[C@@H]1CC[C@@H](O1)C dc1d7f544da463b9fa3fdd86a4095b16 [0,1,0,1,0,0|2,0,0]=4 16349 B11R1.27 CCCOC[C@@H]1CC[C@H](C1)F 9e171726fdb5a6aa8e0186feddd222a7 [0,1,0,1,0,0|2,0,0]=4 16350 B11R1.27 CCCOC[C@H]1CC[C@H](C1)F 849cfd95241dd12aab96c1eb141af76e [0,1,0,1,0,0|2,0,0]=4 16351 B11R1.27 CCNCCN1CCC(C1)F 2b0ccea51205022933d44f2e80b54bb4 [0,1,0,1,0,0|2,0,0]=4 16352 B11R1.27 CCNCCN1CCC(C1)O fd4c5f044fbd9018a830601cbba8f8f2 [0,1,0,1,0,0|2,0,0]=4 16353 B11R1.27 CCNCCN1CC[C@@H](C1)F a181d28e5a1db840f188dc47d9c0963f [0,1,0,1,0,0|2,0,0]=4 16354 B11R1.27 CCNCCN1CC[C@@H](C1)O 1a037b8878477fd6ccb02cc64b5b5a22 [0,1,0,1,0,0|2,0,0]=4 16355 B11R1.27 CCNCCN1CC[C@H](C1)F 4c42ae32810b07ee2642f705994bb457 [0,1,0,1,0,0|2,0,0]=4 16356 B11R1.27 CCOCCN1CCC(C1)C e64d8eb9cec1b033f7d0b3ce3e35dbc7 [0,1,0,1,0,0|2,0,0]=4 16357 B11R1.27 CCOCCN1CCC(C1)F 2bfcf0674eea49354c1f7c9708097d51 [0,1,0,1,0,0|2,0,0]=4 16358 B11R1.27 CCOCCN1CCC(C1)O 85ee71dbb504ae1f8e37e997b2b0a736 [0,1,0,1,0,0|2,0,0]=4 16359 B11R1.27 CCOCCN1CC[C@@H](C1)F 8602b6d9348eaee498671ed6f69f8d24 [0,1,0,1,0,0|2,0,0]=4 16360 B11R1.27 CCOCCN1CC[C@@H](C1)O 64c4aed3b7bb9c516add1da9b520e7ac [0,1,0,1,0,0|2,0,0]=4 16361 B11R1.27 CCOCCN1CC[C@H](C1)F 0b9b36364a3ecad65de90ece9f4a60ad [0,1,0,1,0,0|2,0,0]=4 16362 B11R1.27 CCOCCN1CC[C@H](C1)O 06645ded855fc94355732545303d75f6 [0,1,0,1,0,0|2,0,0]=4 16363 B11R1.27 CCOCNC1CCC(C1)C 56c6bbecd6a2eca75227739d86b51eeb [0,1,0,1,0,0|2,0,0]=4 16364 B11R1.27 CCOCNC1CCC(C1)O e38817e377a836096bc626a14457cb1e [0,1,0,1,0,0|2,0,0]=4 16365 B11R1.27 CCOCN[C@@H]1CC[C@@H](C1)O 2ca24a876eae2fc4be367f3dc1322c20 [0,1,0,1,0,0|2,0,0]=4 16366 B11R1.27 CCOCN[C@@H]1CC[C@H](C1)O 432115508c897732e09962e6fc9af028 [0,1,0,1,0,0|2,0,0]=4 16367 B11R1.27 CCOCN[C@H]1CC[C@@H](C1)O f23431488a0630f310cddac3fcaff26a [0,1,0,1,0,0|2,0,0]=4 16368 B11R1.27 CCOCN[C@H]1CC[C@H](C1)O 444d5c31feebefc3f80fa8d69011e576 [0,1,0,1,0,0|2,0,0]=4 16369 B11R1.27 CCOCOC1CCC(C1)C 4698b6fd1560ced692a2a36c36c99c39 [0,1,0,1,0,0|1,0,0]=3 16370 B11R1.27 CCOCOC1CCC(C1)F 765debb5396eac5ce1cc7ee9d06e008e [0,1,0,1,0,0|1,0,0]=3 16371 B11R1.27 CCOCOC1CCN(C1)C 4ef97c189312a3b0e1765bbeb9e58531 [0,1,0,1,0,0|2,0,0]=4 16372 B11R1.27 CCOCOC1COC(C1)C f90a1332c1c2ab655fad2989ca604f2c [0,1,0,1,0,0|2,0,0]=4 16373 B11R1.27 CCOCO[C@@H]1CCN(C1)C 608c2cdea1f66a1636e0e39d5cae6ffb [0,1,0,1,0,0|2,0,0]=4 16374 B11R1.27 CCOCO[C@H]1CCN(C1)C b591c72831c999b55914dfb1073420ef [0,1,0,1,0,0|2,0,0]=4 16375 B11R1.27 CCSCCN1CCC(C1)C 1376eb7a5c6b0a7ac00b68c5ee65dbe0 [0,1,0,1,0,0|2,0,0]=4 16376 B11R1.27 CCSCCN1CCC(C1)F 3c617fce732441732bd0e21825448909 [0,1,0,1,0,0|2,0,0]=4 16377 B11R1.27 CCSCCN1CCC(C1)O 895291d6343bb7dced23cec6793184e3 [0,1,0,1,0,0|2,0,0]=4 16378 B11R1.27 CCSCCN1CC[C@@H](C1)F 2ee7662f8a3720f0b502c763bdd09f81 [0,1,0,1,0,0|2,0,0]=4 16379 B11R1.27 CCSCCN1CC[C@@H](C1)O 583121faef2fd366a711b9706a7f45f4 [0,1,0,1,0,0|2,0,0]=4 16380 B11R1.27 CCSCCN1CC[C@H](C1)F 8c9e53a2cf4c09958028a3d631127011 [0,1,0,1,0,0|2,0,0]=4 16381 B11R1.27 CCSCCN1CC[C@H](C1)O 70a33ad8237d4c6ae68b15908b91a0d7 [0,1,0,1,0,0|2,0,0]=4 16382 B11R1.27 CN1CCC(C1)OCCCF 464232ac1a31c038d2d298516c4814cc [0,1,0,1,0,0|2,0,0]=4 16383 B11R1.27 CN1CCC(C1)OCCCS 1fb61d4e4d15384d7e35ac075d3ec62a [0,1,0,1,0,0|2,0,0]=4 16384 B11R1.27 CN1CC[C@@H](C1)OCCCF e817c43d98896d6f8038f4cbfd2dd729 [0,1,0,1,0,0|2,0,0]=4 16385 B11R1.27 CN1CC[C@@H](C1)OCCCS 83d99bcd8cbdd9fb10355cd6a8dcf8bb [0,1,0,1,0,0|2,0,0]=4 16386 B11R1.27 CN1CC[C@H](C1)OCCCF 30935dff6e37f9121ca5981d4fdc9714 [0,1,0,1,0,0|2,0,0]=4 16387 B11R1.27 CN1CC[C@H](C1)OCCCS 521d04ca73adb7db23a6e20c6d7c14a1 [0,1,0,1,0,0|2,0,0]=4 16388 B11R1.27 COCCCN1CCC(C1)C bf9218af667e3221a1f909c83d6532a9 [0,1,0,1,0,0|2,0,0]=4 16389 B11R1.27 COCCCN1CCC(C1)F 748546ab15d9459e8c59f5d271c65345 [0,1,0,1,0,0|2,0,0]=4 16390 B11R1.27 COCCCN1CCC(C1)O 9c3cff6b4c07070b27a605fdf17cab8f [0,1,0,1,0,0|2,0,0]=4 16391 B11R1.27 COCCCN1CC[C@@H](C1)F 3d95111fba8268e79065c413434e53b1 [0,1,0,1,0,0|2,0,0]=4 16392 B11R1.27 COCCCN1CC[C@@H](C1)O 1f5d1eb2ecb3801f64714cd803805285 [0,1,0,1,0,0|2,0,0]=4 16393 B11R1.27 COCCCN1CC[C@H](C1)F 2aad239ecbd63ca818278de3fb7f582a [0,1,0,1,0,0|2,0,0]=4 16394 B11R1.27 COCCCN1CC[C@H](C1)O 896a68b595ccc1f09bb6ad985255b952 [0,1,0,1,0,0|2,0,0]=4 16395 B11R1.27 COCCNC1CCC(C1)C 72320d7aecf04e4a94f36e2f998717e6 [0,1,0,1,0,0|2,0,0]=4 16396 B11R1.27 COCCNC1CCC(C1)O 08d9ab99c123da5f7c23c4556f2cec5b [0,1,0,1,0,0|2,0,0]=4 16397 B11R1.27 COCCN[C@@H]1CC[C@@H](C1)O 07d0390d0db17fee93681f626a886e95 [0,1,0,1,0,0|2,0,0]=4 16398 B11R1.27 COCCN[C@@H]1CC[C@H](C1)O 51fb7e6f300583ab6cee9ea2be7f5c92 [0,1,0,1,0,0|2,0,0]=4 16399 B11R1.27 COCCN[C@H]1CC[C@@H](C1)O 1ac7d4c133b0208ba4374ed26232bd27 [0,1,0,1,0,0|2,0,0]=4 16400 B11R1.27 COCCN[C@H]1CC[C@H](C1)O a06fa4f54b825783de4d76c5957dfa91 [0,1,0,1,0,0|2,0,0]=4 16401 B11R1.27 COCCOC1CCC(=O)C1 7203a7a5cf5b5f7b77457a53aecc4ed5 [0,1,0,1,0,0|1,0,1]=4 16402 B11R1.27 COCCOC1CCC(C1)C 195f55f163f406e27326ad8a3b1a9165 [0,1,0,1,0,0|1,0,0]=3 16403 B11R1.27 COCCOC1CCC(C1)F d1ea58e26e926fbecfd7af2540efe3ed [0,1,0,1,0,0|1,0,0]=3 16404 B11R1.27 COCCOC1CCN(C1)C 5b62db074db6de2e3726aae720b6fe80 [0,1,0,1,0,0|2,0,0]=4 16405 B11R1.27 COCCOC1COC(C1)C 9277f0d427980137d6ba3a4053a8a521 [0,1,0,1,0,0|2,0,0]=4 16406 B11R1.27 COCCO[C@@H]1CCN(C1)C 82f9edb584d3b3c10fd38ed7c7bde4af [0,1,0,1,0,0|2,0,0]=4 16407 B11R1.27 COCCO[C@H]1CCN(C1)C a1ee0ed27c628b861857212a96ed4bcd [0,1,0,1,0,0|2,0,0]=4 16408 B11R1.27 CSCCCN1CCC(C1)C 22b5521f39ab30d922bfaaa29dbb67c9 [0,1,0,1,0,0|2,0,0]=4 16409 B11R1.27 CSCCCN1CCC(C1)F 5f13ae1d33712374ca563d1e7b5f8fbf [0,1,0,1,0,0|2,0,0]=4 16410 B11R1.27 CSCCCN1CCC(C1)O 759d73c3eb03ec761c32c10a509ea232 [0,1,0,1,0,0|2,0,0]=4 16411 B11R1.27 CSCCCN1CC[C@@H](C1)F 7ac92e0e0a6e4da5b5d11f2740a6d53a [0,1,0,1,0,0|2,0,0]=4 16412 B11R1.27 CSCCCN1CC[C@@H](C1)O ae32e64d1c4afcd52cc845e6513d8359 [0,1,0,1,0,0|2,0,0]=4 16413 B11R1.27 CSCCCN1CC[C@H](C1)F df08eec2b09cc50abe8b1f08a61d068d [0,1,0,1,0,0|2,0,0]=4 16414 B11R1.27 CSCCCN1CC[C@H](C1)O 502cf705aa3aaed1bef8781bc72b4567 [0,1,0,1,0,0|2,0,0]=4 16415 B11R1.27 CSCCNC1CCC(C1)C 93b26b8afe0b012047d7525af9d06611 [0,1,0,1,0,0|2,0,0]=4 16416 B11R1.27 CSCCNC1CCC(C1)O 5f7813c1546c50309261e831cd1672ba [0,1,0,1,0,0|2,0,0]=4 16417 B11R1.27 CSCCN[C@@H]1CC[C@@H](C1)O 0fae0baf6b4a73806ba61c0233179a8a [0,1,0,1,0,0|2,0,0]=4 16418 B11R1.27 CSCCN[C@@H]1CC[C@H](C1)O a4e0175f2699a5c656ed7822b2acf671 [0,1,0,1,0,0|2,0,0]=4 16419 B11R1.27 CSCCN[C@H]1CC[C@@H](C1)O 422f67654c26cb04ca7d65fd8f969333 [0,1,0,1,0,0|2,0,0]=4 16420 B11R1.27 CSCCN[C@H]1CC[C@H](C1)O fbc6f90f069e7705f9b7d2cd55381310 [0,1,0,1,0,0|2,0,0]=4 16421 B11R1.27 CSCCOC1CCC(=O)C1 a2bd150b2f0de81474ae1fbdf6f3bec7 [0,1,0,1,0,0|1,0,1]=4 16422 B11R1.27 CSCCOC1CCC(C1)C 7de687f3c79f4e16960227c82cf76584 [0,1,0,1,0,0|1,0,0]=3 16423 B11R1.27 CSCCOC1CCC(C1)F ab7afdbf666d92c6b0ab03b732314db3 [0,1,0,1,0,0|1,0,0]=3 16424 B11R1.27 CSCCOC1CCN(C1)C 4068fdf8b24180da9a9c2b5a90a42e5b [0,1,0,1,0,0|2,0,0]=4 16425 B11R1.27 CSCCOC1COC(C1)C 22176189b60b302d024af8d210cbcfa5 [0,1,0,1,0,0|2,0,0]=4 16426 B11R1.27 CSCCO[C@@H]1CCN(C1)C 9a297849e543812a5ee2d1c909c2154f [0,1,0,1,0,0|2,0,0]=4 16427 B11R1.27 CSCCO[C@H]1CCN(C1)C 0b25d3a3da44541db542c9bf56838236 [0,1,0,1,0,0|2,0,0]=4 16428 B11R1.27 FC1CCC(C1)OCCCS 5d20f491af7f519a16336c2f3936d085 [0,1,0,1,0,0|1,0,0]=3 16429 B11R1.27 FCCCCN1CCC(C1)F 8bd34648f1e899d5d1e8168a637bcf44 [0,1,0,1,0,0|2,0,0]=4 16430 B11R1.27 FCCCCN1CC[C@@H](C1)F f22c5976948575965ff1c765cfd2dcd0 [0,1,0,1,0,0|2,0,0]=4 16431 B11R1.27 FCCCCN1CC[C@H](C1)F 545d59b03a4cce1acef66803d5659786 [0,1,0,1,0,0|2,0,0]=4 16432 B11R1.27 FCCCOC1CCC(C1)F 8809380182baed87f54eeddd0a7a202b [0,1,0,1,0,0|1,0,0]=3 16433 B11R1.27 N#CCCOC1CCC(C1)F ec7003cb26fc9332c2f7244fb7d3935f [0,1,0,1,0,0|1,0,1]=4 16434 B11R1.27 O=C1CCC(C1)OCCCF 454cfbf794d41abb125e5b977d044bb2 [0,1,0,1,0,0|1,0,1]=4 16435 B11R1.27 O=C1CCC(C1)OCCCS c4f13eb1b084c5ee0d252c7e72ed2518 [0,1,0,1,0,0|1,0,1]=4 16436 B11R1.27 O=CCCOC1CCC(C1)F 7bf0cc965969561ba1a6ec7d7711faad [0,1,0,1,0,0|1,0,1]=4 16437 B11R1.27 OC1CCC(C1)NCCCF e364317d32c29f25ddd6b4aa1a233707 [0,1,0,1,0,0|2,0,0]=4 16438 B11R1.27 OC1CCC(C1)NCCCS 07c16a633eaac070820ccf536c9c47e3 [0,1,0,1,0,0|2,0,0]=4 16439 B11R1.27 OC1CCN(C1)CCCCF 8238dc28a597fd8a32a5d1e8d094cab2 [0,1,0,1,0,0|2,0,0]=4 16440 B11R1.27 OCCCCN1CCC(C1)F 661efa0b5fb93d4469a19fba1d092125 [0,1,0,1,0,0|2,0,0]=4 16441 B11R1.27 OCCCCN1CCC(C1)O 92c48e25294f3c94cabafb5c23354f97 [0,1,0,1,0,0|2,0,0]=4 16442 B11R1.27 OCCCCN1CC[C@@H](C1)F 5bddc77d7d7fa67c72608730e03be2d7 [0,1,0,1,0,0|2,0,0]=4 16443 B11R1.27 OCCCCN1CC[C@@H](C1)O 9fe63ae5b1715424373da089fd2d2d3e [0,1,0,1,0,0|2,0,0]=4 16444 B11R1.27 OCCCCN1CC[C@H](C1)F c8c6a0534c566ab448c75b2a2a2a182e [0,1,0,1,0,0|2,0,0]=4 16445 B11R1.27 OCCCCN1CC[C@H](C1)O 88fd23686d0b80b3b595eb706bc3009e [0,1,0,1,0,0|2,0,0]=4 16446 B11R1.27 OCCCNC1CCC(C1)O d51d398be3d1128808896fd95d61a2fa [0,1,0,1,0,0|2,0,0]=4 16447 B11R1.27 OCCCN[C@@H]1CC[C@@H](C1)O 6b4175dc78b3643b66c44aa5806c2738 [0,1,0,1,0,0|2,0,0]=4 16448 B11R1.27 OCCCN[C@@H]1CC[C@H](C1)O fe582bf36553d7e8f2b626a9c37d2c1d [0,1,0,1,0,0|2,0,0]=4 16449 B11R1.27 OCCCN[C@H]1CC[C@@H](C1)O e9479729adcab482b0100e1af7dbbbcc [0,1,0,1,0,0|2,0,0]=4 16450 B11R1.27 OCCCN[C@H]1CC[C@H](C1)O 3b982edd868658f8d23144132cd47d6a [0,1,0,1,0,0|2,0,0]=4 16451 B11R1.27 O[C@@H]1CCN(C1)CCCCF 072c4c02032674fba5579c5d6d22654e [0,1,0,1,0,0|2,0,0]=4 16452 B11R1.27 O[C@@H]1CC[C@@H](C1)NCCCF c47ff1db02c2f18b60c607a3289fc515 [0,1,0,1,0,0|2,0,0]=4 16453 B11R1.27 O[C@@H]1CC[C@@H](C1)NCCCS 191566a7849332ddd734dc550d01a65d [0,1,0,1,0,0|2,0,0]=4 16454 B11R1.27 O[C@@H]1CC[C@H](C1)NCCCF aec9accb9a90b14ced3542cb59a8982b [0,1,0,1,0,0|2,0,0]=4 16455 B11R1.27 O[C@@H]1CC[C@H](C1)NCCCS 923eadb49da3e5eba7c7469755b0db51 [0,1,0,1,0,0|2,0,0]=4 16456 B11R1.27 O[C@H]1CCN(C1)CCCCF f845524f45c3c0dfe64456f168fa17d3 [0,1,0,1,0,0|2,0,0]=4 16457 B11R1.27 O[C@H]1CC[C@@H](C1)NCCCF 10a171c21f144cc23a639d7e7e0293a7 [0,1,0,1,0,0|2,0,0]=4 16458 B11R1.27 O[C@H]1CC[C@@H](C1)NCCCS d251245b5ed7c446113012c26a52b741 [0,1,0,1,0,0|2,0,0]=4 16459 B11R1.27 O[C@H]1CC[C@H](C1)NCCCF fd7560e15d67abf1799714c3c5577352 [0,1,0,1,0,0|2,0,0]=4 16460 B11R1.27 O[C@H]1CC[C@H](C1)NCCCS db2badb0a9b7d7742caa96835b524c9f [0,1,0,1,0,0|2,0,0]=4 16461 B11R1.46 C#CCCCCNC1CC1C a3fe03c13a1f126784163c452bebd372 [0,1,0,1,0,0|1,0,1]=4 16462 B11R1.46 C#CCCCOCC1CC1C 4ebfbf726c83360f46af1313663720d1 [0,1,0,1,0,0|0,0,1]=3 16463 B11R1.46 C#CCCCOC[C@@H]1C[C@@H]1C 2db246db28a2c25fb37a2c2ba9f61aea [0,1,0,1,0,0|0,0,1]=3 16464 B11R1.46 C#CCCCOC[C@@H]1C[C@@H]1F d2f75f9a36c3852c865ba40c3ef80d2d [0,1,0,1,0,0|0,0,2]=4 16465 B11R1.46 C#CCCCOC[C@@H]1C[C@H]1C 946147d6955c79f69cff73a992f55879 [0,1,0,1,0,0|0,0,1]=3 16466 B11R1.46 C#CCCCOC[C@@H]1C[C@H]1F 00c329e361730fb01bc294f3e57735af [0,1,0,1,0,0|0,0,2]=4 16467 B11R1.46 C#CCCCOC[C@H]1C[C@@H]1C 3b67e3233fdef93391ce26e7cb1af7f7 [0,1,0,1,0,0|0,0,1]=3 16468 B11R1.46 C#CCCCOC[C@H]1C[C@@H]1F ae0fd9303e4694403f34cb901f1f93ca [0,1,0,1,0,0|0,0,2]=4 16469 B11R1.46 C#CCCCOC[C@H]1C[C@H]1F 9b111655e528e88fd25fa851902785ac [0,1,0,1,0,0|0,0,2]=4 16470 B11R1.46 C/C=C\CCCNC1CC1C e52b250fe855b10f6f2ec355bb541091 [0,1,0,1,0,0|1,0,1]=4 16471 B11R1.46 C=C1CC1COCCCCC 7f45e40e79cf42ec7b7067b8eb37ec2a [0,1,0,1,0,0|0,0,1]=3 16472 B11R1.46 C=C1CC1COCCCCF fac5ab65598bc4ccc351d3db9abc73c8 [0,1,0,1,0,0|0,0,2]=4 16473 B11R1.46 C=C1CC1COCCCOC 78c71147c9cb9592961854ade1bde0d7 [0,1,0,1,0,0|0,0,2]=4 16474 B11R1.46 C=C1CC1COCCCSC 26c680be3a74ed76bc6115fb584a6b68 [0,1,0,1,0,0|0,0,2]=4 16475 B11R1.46 C=C1CC1COCCOCC fd0e73b176582f5a6386688370bd7da7 [0,1,0,1,0,0|0,0,2]=4 16476 B11R1.46 C=C1CC1COCCSCC af2980d749d6b76fbaa004f918518a20 [0,1,0,1,0,0|0,0,2]=4 16477 B11R1.46 C=CCCCCNC1CC1C 395d4d8761848328b051fa9e8076fada [0,1,0,1,0,0|1,0,1]=4 16478 B11R1.46 C=CCCCOCC1CC1C d298daa0f2b1884dbc0e3d8aac854186 [0,1,0,1,0,0|0,0,1]=3 16479 B11R1.46 C=CCCCOC[C@@H]1C[C@@H]1C b33c5a8bd9880d51b366b93cb2fe42b3 [0,1,0,1,0,0|0,0,1]=3 16480 B11R1.46 C=CCCCOC[C@@H]1C[C@@H]1F a83b4ccf7423e7607fe2e5fdcdc36466 [0,1,0,1,0,0|0,0,2]=4 16481 B11R1.46 C=CCCCOC[C@@H]1C[C@H]1C 8c3fc3b22e8698e7a28bf363b5815ea2 [0,1,0,1,0,0|0,0,1]=3 16482 B11R1.46 C=CCCCOC[C@@H]1C[C@H]1F 0a1fdcf14dce7191189396844512ddd6 [0,1,0,1,0,0|0,0,2]=4 16483 B11R1.46 C=CCCCOC[C@H]1C[C@@H]1C da7b586711e048cf1c332f4b4a09449e [0,1,0,1,0,0|0,0,1]=3 16484 B11R1.46 C=CCCCOC[C@H]1C[C@@H]1F bea4ab153cf337ba511c347419cc7a66 [0,1,0,1,0,0|0,0,2]=4 16485 B11R1.46 C=CCCCOC[C@H]1C[C@H]1F a373f04f02d50cb023d2f4b4c278c6b0 [0,1,0,1,0,0|0,0,2]=4 16486 B11R1.46 CC/C=C/COCC1CC1C fe1240e00ddd0be80c566da621f404a2 [0,1,0,1,0,0|0,0,1]=3 16487 B11R1.46 CC/C=C/COC[C@@H]1C[C@@H]1C c0571d3b9b02af0140d0d58a196552c6 [0,1,0,1,0,0|0,0,1]=3 16488 B11R1.46 CC/C=C/COC[C@@H]1C[C@@H]1F 1673424c768afb0544aff9ce64cca1b0 [0,1,0,1,0,0|0,0,2]=4 16489 B11R1.46 CC/C=C/COC[C@@H]1C[C@H]1C 1f2f68f96ba6719fd078c10e53006a5c [0,1,0,1,0,0|0,0,1]=3 16490 B11R1.46 CC/C=C/COC[C@@H]1C[C@H]1F cc8d086e38f040a65895ca86eeb1882e [0,1,0,1,0,0|0,0,2]=4 16491 B11R1.46 CC/C=C/COC[C@H]1C[C@@H]1C 981ba8af5be086971d42f8f9ed879e43 [0,1,0,1,0,0|0,0,1]=3 16492 B11R1.46 CC/C=C/COC[C@H]1C[C@@H]1F cbced54a8af6058acea48e5a07445dd6 [0,1,0,1,0,0|0,0,2]=4 16493 B11R1.46 CC/C=C/COC[C@H]1C[C@H]1F f56d74b062c690537b2d9699b8ae35e2 [0,1,0,1,0,0|0,0,2]=4 16494 B11R1.46 CC/C=C\CCNC1CC1C e92c4e6b06443ae942fd34079c8559ea [0,1,0,1,0,0|1,0,1]=4 16495 B11R1.46 CC1CC1COCCCC#N 3677267f9232d66eb0afcae3359ed9a6 [0,1,0,1,0,0|0,0,1]=3 16496 B11R1.46 CC1CC1COCCCC=O 6aff7023757d9729ee3dd372a8184ceb [0,1,0,1,0,0|0,0,1]=3 16497 B11R1.46 CC1CC1COCCCCF 76495ea7b55cf382952acf8bd3db13c2 [0,1,0,1,0,0|0,0,0]=2 16498 B11R1.46 CC1CC1NCCCCC#N 51fd0de5261021be457bb6c4a7a5a8cd [0,1,0,1,0,0|1,0,1]=4 16499 B11R1.46 CC1CC1NCCCCC=O 967fc451aa3b8116194a3feba1ea6d00 [0,1,0,1,0,0|1,0,1]=4 16500 B11R1.46 CC1CC1NCCCCCF 0c035019a2420859cbf97421fa4ea4ab [0,1,0,1,0,0|1,0,0]=3 16501 B11R1.46 CC1CC1NCCCCCO bd299bc9720187b5316db39c71cbed76 [0,1,0,1,0,0|1,0,0]=3 16502 B11R1.46 CC1CC1NCCCCON e43884fe4c03212c36c9a77b468bc248 [0,1,0,1,0,0|2,0,0]=4 16503 B11R1.46 CC1CC1NCCOCCO 7a75052d444166a10c7274a2f8a9678a [0,1,0,1,0,0|2,0,0]=4 16504 B11R1.46 CCC#CCOCC1CC1C a0019bffd7663be645839a589404114a [0,1,0,1,0,0|0,0,1]=3 16505 B11R1.46 CCC#CCOC[C@@H]1C[C@@H]1C 7805aa4df1a2116ffc4f014806791d22 [0,1,0,1,0,0|0,0,1]=3 16506 B11R1.46 CCC#CCOC[C@@H]1C[C@@H]1F 17b53013ef5dc1dbbbe193965db1bd99 [0,1,0,1,0,0|0,0,2]=4 16507 B11R1.46 CCC#CCOC[C@@H]1C[C@H]1C d08bb0b8c3bad22a17b15a2ab46674a8 [0,1,0,1,0,0|0,0,1]=3 16508 B11R1.46 CCC#CCOC[C@@H]1C[C@H]1F 3943d1fee9a13253a5bcf955700b77cc [0,1,0,1,0,0|0,0,2]=4 16509 B11R1.46 CCC#CCOC[C@H]1C[C@@H]1C 2b5599567c8039505f319e3e8decfb82 [0,1,0,1,0,0|0,0,1]=3 16510 B11R1.46 CCC#CCOC[C@H]1C[C@@H]1F ba6334741649feb4d7ebfb0a30152b34 [0,1,0,1,0,0|0,0,2]=4 16511 B11R1.46 CCC#CCOC[C@H]1C[C@H]1F fadeebf2b0c9fc3d14bdbae8bd4bbc51 [0,1,0,1,0,0|0,0,2]=4 16512 B11R1.46 CCC/C=C/CNC1CC1C b2bfc212a82b3cd4a76153e1e962ddc1 [0,1,0,1,0,0|1,0,1]=4 16513 B11R1.46 CCC/C=C\CNC1CC1C 7c3347bf3047db31697f142d6af6c216 [0,1,0,1,0,0|1,0,1]=4 16514 B11R1.46 CCCCCCNC1CC1C b45c8cc8aab0d0f6e85bc0878785f9a8 [0,1,0,1,0,0|1,0,0]=3 16515 B11R1.46 CCCCCCN[C@@H]1C[C@H]1F 8acf724c7f2baa9f149ae7e874015212 [0,1,0,1,0,0|2,0,0]=4 16516 B11R1.46 CCCCCCN[C@H]1C[C@@H]1F b340769e30fa852079a5cf8ad575a16f [0,1,0,1,0,0|2,0,0]=4 16517 B11R1.46 CCCCCCN[C@H]1C[C@H]1F b119eb7d37bb1343a31b736c7857aee4 [0,1,0,1,0,0|2,0,0]=4 16518 B11R1.46 CCCCCOCC1CC1C 1867a2f9dbe6833314b32cc2d43ad509 [0,1,0,1,0,0|0,0,0]=2 16519 B11R1.46 CCCCCOC[C@@H]1C[C@@H]1C c9abe658c8e69fcb1746924eb6d0236e [0,1,0,1,0,0|0,0,0]=2 16520 B11R1.46 CCCCCOC[C@@H]1C[C@@H]1F 376cdec18b650c56f31f2986c380d81e [0,1,0,1,0,0|0,0,0]=2 16521 B11R1.46 CCCCCOC[C@@H]1C[C@H]1C 7d4defcf022fc7cc6b4b23d1e7760c54 [0,1,0,1,0,0|0,0,0]=2 16522 B11R1.46 CCCCCOC[C@@H]1C[C@H]1F a29591ccf2621da1b5b68f0eda1453ae [0,1,0,1,0,0|0,0,0]=2 16523 B11R1.46 CCCCCOC[C@H]1C[C@@H]1C 8ae5ae826d447077c2e9d4f46186a74c [0,1,0,1,0,0|0,0,0]=2 16524 B11R1.46 CCCCCOC[C@H]1C[C@@H]1F 6519f584dbd05e8e1c2d2c8fba2b5452 [0,1,0,1,0,0|0,0,0]=2 16525 B11R1.46 CCCCCOC[C@H]1C[C@H]1F c8f45365b901a35123f2900db901d7d0 [0,1,0,1,0,0|0,0,0]=2 16526 B11R1.46 CCCCOCNC1CC1C cfe8566de8632e6924b5040e971538cc [0,1,0,1,0,0|0,0,0]=2 16527 B11R1.46 CCCCOCN[C@@H]1C[C@H]1F 75ded41b292b6d8eb2d010440f33fd58 [0,1,0,1,0,0|1,0,0]=3 16528 B11R1.46 CCCCOCN[C@H]1C[C@@H]1F d5ac27c807f8c090ea5f5755674d2f26 [0,1,0,1,0,0|1,0,0]=3 16529 B11R1.46 CCCCOCN[C@H]1C[C@H]1F c1936702785343cd13ec7eb98124d0b8 [0,1,0,1,0,0|1,0,0]=3 16530 B11R1.46 CCCOCCNC1CC1C bf692832e49ed4a199251d0576bcd2af [0,1,0,1,0,0|1,0,0]=3 16531 B11R1.46 CCCOCCN[C@@H]1C[C@H]1F 81bd36c21f7097b8a858c7f4679ac708 [0,1,0,1,0,0|2,0,0]=4 16532 B11R1.46 CCCOCCN[C@H]1C[C@@H]1F e4ee950dcf6fe8e940861f24978b0d16 [0,1,0,1,0,0|2,0,0]=4 16533 B11R1.46 CCCOCCN[C@H]1C[C@H]1F c2de43bef06daba7555d3f20d294fbc9 [0,1,0,1,0,0|2,0,0]=4 16534 B11R1.46 CCOCCCNC1CC1C 7ce9a1431ba28bd209d131c8fc5605fc [0,1,0,1,0,0|1,0,0]=3 16535 B11R1.46 CCOCCCN[C@@H]1C[C@H]1F 74065aaa3a75d979801e612c12a287ee [0,1,0,1,0,0|2,0,0]=4 16536 B11R1.46 CCOCCCN[C@H]1C[C@@H]1F 4d8e9b3d1a3457cbb5fcd72df898048c [0,1,0,1,0,0|2,0,0]=4 16537 B11R1.46 CCOCCCN[C@H]1C[C@H]1F 231f4821117b1b1f4015c56b3b311525 [0,1,0,1,0,0|2,0,0]=4 16538 B11R1.46 CCOCCOCC1CC1C 3d80c9a23e9d125d916b1bffbb38f1e7 [0,1,0,1,0,0|0,0,0]=2 16539 B11R1.46 CCOCCOC[C@@H]1C[C@@H]1C 29af21b4b890c1d5402c59ee0ae9091e [0,1,0,1,0,0|0,0,0]=2 16540 B11R1.46 CCOCCOC[C@@H]1C[C@@H]1F 064da4ac66de5d7fd6f8aadff0adf994 [0,1,0,1,0,0|1,0,0]=3 16541 B11R1.46 CCOCCOC[C@@H]1C[C@H]1C 96bd3283ccdfa9923bd3360fd76e9d9c [0,1,0,1,0,0|0,0,0]=2 16542 B11R1.46 CCOCCOC[C@@H]1C[C@H]1F 40e2e55600fd7b6f896fd033f31d0e70 [0,1,0,1,0,0|1,0,0]=3 16543 B11R1.46 CCOCCOC[C@H]1C[C@@H]1C 9aeaa1c625e362a0716b94f93e82ec97 [0,1,0,1,0,0|0,0,0]=2 16544 B11R1.46 CCOCCOC[C@H]1C[C@@H]1F fa0d28d69c25c2fb53071c83ebf0adfb [0,1,0,1,0,0|1,0,0]=3 16545 B11R1.46 CCOCCOC[C@H]1C[C@H]1F 7f2d1d8c04cd9cc24ab9bf0cce528858 [0,1,0,1,0,0|1,0,0]=3 16546 B11R1.46 CCSCCCNC1CC1C f69f770ba6d0df27053938dfa35264b0 [0,1,0,1,0,0|1,0,0]=3 16547 B11R1.46 CCSCCCN[C@@H]1C[C@H]1F 0ea702fe0c1da01af30444c6795a5294 [0,1,0,1,0,0|2,0,0]=4 16548 B11R1.46 CCSCCCN[C@H]1C[C@@H]1F 276d6332f22545ebbf84ca84ae07ea38 [0,1,0,1,0,0|2,0,0]=4 16549 B11R1.46 CCSCCCN[C@H]1C[C@H]1F 96d412d192e1ec1c96ad7b6fa07f3622 [0,1,0,1,0,0|2,0,0]=4 16550 B11R1.46 CCSCCOCC1CC1C 411ca9bb5d495c510915e853f6eb3e09 [0,1,0,1,0,0|0,0,0]=2 16551 B11R1.46 CCSCCOC[C@@H]1C[C@@H]1C 89a398887022948f4526d5d86a4bf86b [0,1,0,1,0,0|0,0,0]=2 16552 B11R1.46 CCSCCOC[C@@H]1C[C@@H]1F f135a6477a81dc0eb2da112ec4984010 [0,1,0,1,0,0|1,0,0]=3 16553 B11R1.46 CCSCCOC[C@@H]1C[C@H]1C 83b5af3554934858455120b9340eb3f1 [0,1,0,1,0,0|0,0,0]=2 16554 B11R1.46 CCSCCOC[C@@H]1C[C@H]1F 4958babacfccb69f856e594af8508a38 [0,1,0,1,0,0|1,0,0]=3 16555 B11R1.46 CCSCCOC[C@H]1C[C@@H]1C 369f486731d6ae52ed326b72bcc012c7 [0,1,0,1,0,0|0,0,0]=2 16556 B11R1.46 CCSCCOC[C@H]1C[C@@H]1F 209686ed26e2fa8db5758f6f7e5fd6bc [0,1,0,1,0,0|1,0,0]=3 16557 B11R1.46 CCSCCOC[C@H]1C[C@H]1F 756d4f71b3d05337ea1b060d853524c0 [0,1,0,1,0,0|1,0,0]=3 16558 B11R1.46 COCCCCNC1CC1C f1d4b12ce8f4546956787992090d96da [0,1,0,1,0,0|1,0,0]=3 16559 B11R1.46 COCCCCN[C@@H]1C[C@H]1F b0b85a249aec04ca95cbe10757feb6be [0,1,0,1,0,0|2,0,0]=4 16560 B11R1.46 COCCCCN[C@H]1C[C@@H]1F 73a8cce7740fa3a63ebdd0ceb2607dc2 [0,1,0,1,0,0|2,0,0]=4 16561 B11R1.46 COCCCCN[C@H]1C[C@H]1F 99021256d65d9d8d58e074bee6f71948 [0,1,0,1,0,0|2,0,0]=4 16562 B11R1.46 COCCCOCC1CC1C 560307114f469cd1b42c149cb436b965 [0,1,0,1,0,0|0,0,0]=2 16563 B11R1.46 COCCCOC[C@@H]1C[C@@H]1C 0b90abb1b0601eeb917ebd06b38fdce3 [0,1,0,1,0,0|0,0,0]=2 16564 B11R1.46 COCCCOC[C@@H]1C[C@@H]1F a43a9e42dfaf29c30c0fca036110709a [0,1,0,1,0,0|1,0,0]=3 16565 B11R1.46 COCCCOC[C@@H]1C[C@H]1C ba30bdceb8c50375dff8d9a57899d879 [0,1,0,1,0,0|0,0,0]=2 16566 B11R1.46 COCCCOC[C@@H]1C[C@H]1F efb72e95af531f20b3856f2fa1d07efa [0,1,0,1,0,0|1,0,0]=3 16567 B11R1.46 COCCCOC[C@H]1C[C@@H]1C 006489c2caabb55dca926176922b972b [0,1,0,1,0,0|0,0,0]=2 16568 B11R1.46 COCCCOC[C@H]1C[C@@H]1F 12829510040345ca1f9c4f5f8060427f [0,1,0,1,0,0|1,0,0]=3 16569 B11R1.46 COCCCOC[C@H]1C[C@H]1F 69ac94321c6f8706a75e8d22c4ab10a1 [0,1,0,1,0,0|1,0,0]=3 16570 B11R1.46 COCCOCNC1CC1C 327e1409762a2c360ae8827cba4333e2 [0,1,0,1,0,0|1,0,0]=3 16571 B11R1.46 COCCOCN[C@@H]1C[C@H]1F e76511335a1730dfd8af1db0d8096476 [0,1,0,1,0,0|2,0,0]=4 16572 B11R1.46 COCCOCN[C@H]1C[C@@H]1F 4a2d73d2186af89a7afe1a44bcf952d7 [0,1,0,1,0,0|2,0,0]=4 16573 B11R1.46 COCCOCN[C@H]1C[C@H]1F c1e7b08f84838b17fe432d00a043fd10 [0,1,0,1,0,0|2,0,0]=4 16574 B11R1.46 COCOCCNC1CC1C e46bc56381146c74941bd5d9e1c7c735 [0,1,0,1,0,0|2,0,0]=4 16575 B11R1.46 CSCCCOCC1CC1C 2d7bb86923ac0c23b8c476acb428dc11 [0,1,0,1,0,0|0,0,0]=2 16576 B11R1.46 CSCCCOC[C@@H]1C[C@@H]1C bf3e41cdf5bcec65448ec46874011c59 [0,1,0,1,0,0|0,0,0]=2 16577 B11R1.46 CSCCCOC[C@@H]1C[C@@H]1F 51f7b99c239dbbdf8616b6a5d86d7ac0 [0,1,0,1,0,0|1,0,0]=3 16578 B11R1.46 CSCCCOC[C@@H]1C[C@H]1C a04680d13ecca96dcbdd160f0bd242a6 [0,1,0,1,0,0|0,0,0]=2 16579 B11R1.46 CSCCCOC[C@@H]1C[C@H]1F c1ff21879f74e28852dae0d86fc14293 [0,1,0,1,0,0|1,0,0]=3 16580 B11R1.46 CSCCCOC[C@H]1C[C@@H]1C 8cbef7888941bb4101bc7dc0d63c8872 [0,1,0,1,0,0|0,0,0]=2 16581 B11R1.46 CSCCCOC[C@H]1C[C@@H]1F 82ed030b736877c4941f1b8884780125 [0,1,0,1,0,0|1,0,0]=3 16582 B11R1.46 CSCCCOC[C@H]1C[C@H]1F c49eca2b0a069dd93d07bac0d92b470a [0,1,0,1,0,0|1,0,0]=3 16583 B11R1.46 C[C@@H]1C[C@H]1COCCCC#N 71337cf9056898d0ec9674ce4e4e76e7 [0,1,0,1,0,0|0,0,1]=3 16584 B11R1.46 C[C@@H]1C[C@H]1COCCCC=O 9e0f2f475f1e88c1461e9a2be7010389 [0,1,0,1,0,0|0,0,1]=3 16585 B11R1.46 C[C@@H]1C[C@H]1COCCCCF 9654c751e323bf6bf08bf240ef749e2a [0,1,0,1,0,0|0,0,0]=2 16586 B11R1.46 C[C@H]1C[C@@H]1COCCCC#N 38dc6cafb8a9be9f225920cda69e31f9 [0,1,0,1,0,0|0,0,1]=3 16587 B11R1.46 C[C@H]1C[C@@H]1COCCCC=O 17fff6a30c1ac5cf934910927160cf43 [0,1,0,1,0,0|0,0,1]=3 16588 B11R1.46 C[C@H]1C[C@@H]1COCCCCF 5cf6abdcd833ce9abb872d7b1f0a9f51 [0,1,0,1,0,0|0,0,0]=2 16589 B11R1.46 C[C@H]1C[C@H]1COCCCC#N 54215fc6701ce062239681789c4f54ea [0,1,0,1,0,0|0,0,1]=3 16590 B11R1.46 C[C@H]1C[C@H]1COCCCC=O a43c9b8c0cbc8b208cd292a2a47000b0 [0,1,0,1,0,0|0,0,1]=3 16591 B11R1.46 C[C@H]1C[C@H]1COCCCCF f7f1d9e9599a8f71a6d97e60d519ce1a [0,1,0,1,0,0|0,0,0]=2 16592 B11R1.46 FCCCCCN[C@@H]1C[C@H]1F c789d7c0797d0a9430c4cdecc9a8476d [0,1,0,1,0,0|2,0,0]=4 16593 B11R1.46 FCCCCCN[C@H]1C[C@@H]1F c63206deaf4a1834a62cd94989036318 [0,1,0,1,0,0|2,0,0]=4 16594 B11R1.46 FCCCCCN[C@H]1C[C@H]1F 29cbc5e7dfa269815047325766aa0f6b [0,1,0,1,0,0|2,0,0]=4 16595 B11R1.46 FCCCCOC[C@@H]1C[C@@H]1F aa68d4e2ee8351e8a404a92aa7bed775 [0,1,0,1,0,0|1,0,0]=3 16596 B11R1.46 FCCCCOC[C@@H]1C[C@H]1F 222b745890878c7605817864a0a7aec7 [0,1,0,1,0,0|1,0,0]=3 16597 B11R1.46 FCCCCOC[C@H]1C[C@@H]1F d339f8c9064a18049a4d5a89a83f2487 [0,1,0,1,0,0|1,0,0]=3 16598 B11R1.46 FCCCCOC[C@H]1C[C@H]1F 7f96ad3e0798dfbe400565aadfb2d11e [0,1,0,1,0,0|1,0,0]=3 16599 B11R1.46 N#CCCCOC[C@@H]1C[C@@H]1F 7c358a46d6d6ae289236c3ff83c623e3 [0,1,0,1,0,0|1,0,1]=4 16600 B11R1.46 N#CCCCOC[C@@H]1C[C@H]1F 846cead95b1eb7861d20e846627d3f15 [0,1,0,1,0,0|1,0,1]=4 16601 B11R1.46 N#CCCCOC[C@H]1C[C@@H]1F 6d09b0649577d0fea04817f8d7c3dd23 [0,1,0,1,0,0|1,0,1]=4 16602 B11R1.46 N#CCCCOC[C@H]1C[C@H]1F 9f35147fe06bb4618da4f1b17ab4efb7 [0,1,0,1,0,0|1,0,1]=4 16603 B11R1.46 O=CCCCOC[C@@H]1C[C@@H]1F c085ddd6f1c7867c3dfb136426158d57 [0,1,0,1,0,0|1,0,1]=4 16604 B11R1.46 O=CCCCOC[C@@H]1C[C@H]1F 38e3176972f0745976adb8de8d0642af [0,1,0,1,0,0|1,0,1]=4 16605 B11R1.46 O=CCCCOC[C@H]1C[C@@H]1F f335d7dfdcde5cece973f183726f46d2 [0,1,0,1,0,0|1,0,1]=4 16606 B11R1.46 O=CCCCOC[C@H]1C[C@H]1F 3baf4ae008f4efc0ac3c72ab38be2ae3 [0,1,0,1,0,0|1,0,1]=4 16607 B11R1.46 OCCCCCN[C@@H]1C[C@H]1F edb16aeb1e12c77899722ac94b8a7f16 [0,1,0,1,0,0|2,0,0]=4 16608 B11R1.46 OCCCCCN[C@H]1C[C@@H]1F 782ccfcbd1552ee7d201fb144f495127 [0,1,0,1,0,0|2,0,0]=4 16609 B11R1.46 OCCCCCN[C@H]1C[C@H]1F 13d3d53a373d9a3f5835c22f8cf618b9 [0,1,0,1,0,0|2,0,0]=4 16610 B11R1.53 CC(C)C1COCCN1CF 13b5b7adb104177596353bb67047a0b1 [0,1,0,1,0,0|2,0,0]=4 16611 B11R1.53 CC(C)C1COCCN1CO fdf051c16951dc17332e826218c5f1ff [0,1,0,1,0,0|2,0,0]=4 16612 B11R1.53 CC(C)N1CCOCC1CO 502db5c8f125cd52cc7533a2de7aefb2 [0,1,0,1,0,0|2,0,0]=4 16613 B11R1.53 CC(C)N1CCOC[C@@H]1CO 56b468a4f6cea85fe43e13a128bd6c92 [0,1,0,1,0,0|2,0,0]=4 16614 B11R1.53 CC(C)N1CCOC[C@H]1CO 71fcddc848d8bc704c514d09ec7385b5 [0,1,0,1,0,0|2,0,0]=4 16615 B11R1.53 CC(C)[C@@H]1COCCN1CF eb3aad31e4311a0d37c1470a634668f9 [0,1,0,1,0,0|2,0,0]=4 16616 B11R1.53 CC(C)[C@@H]1COCCN1CO 1cb1892c410b095bc9a73e204b7cd5fe [0,1,0,1,0,0|2,0,0]=4 16617 B11R1.53 CC(C)[C@H]1COCCN1CF 3cd7995d52b2940fb94eaf17ab655b28 [0,1,0,1,0,0|2,0,0]=4 16618 B11R1.53 CC(C)[C@H]1COCCN1CO 9ce1310f70d7214f3f4566648364fdc2 [0,1,0,1,0,0|2,0,0]=4 16619 B11R1.53 CCC1CCCCN1C(C)C b46c01505cd6f3a5d2a438f0d3c1c7eb [0,1,0,1,0,0|2,0,0]=4 16620 B11R1.53 CCC1COCCN1C(=O)C 8dd2029cb4d1d2f81e06c54a1f5dbb35 [0,1,0,1,0,0|1,0,1]=4 16621 B11R1.53 CCC1COCCN1C(C)C f334632f299f9c6e4f3eb48710cc12f5 [0,1,0,1,0,0|1,0,0]=3 16622 B11R1.53 CCN1CCOCC1C(C)C 05d4e972794bbfd157f202ebe4965a17 [0,1,0,1,0,0|1,0,0]=3 16623 B11R1.53 CCN1CCOCC1C(F)F eb26cc74072777f9a56221f2196654d7 [0,1,0,1,0,0|2,0,0]=4 16624 B11R1.53 CCN1CCOC[C@@H]1C(C)C 8858a7744b650877dcf59ed040246d82 [0,1,0,1,0,0|1,0,0]=3 16625 B11R1.53 CCN1CCOC[C@@H]1C(F)F 5bfa0abfa37cbf430f482da081c9eea0 [0,1,0,1,0,0|2,0,0]=4 16626 B11R1.53 CCN1CCOC[C@H]1C(C)C 4ece3155b36305df9047fdd5dadabe5c [0,1,0,1,0,0|1,0,0]=3 16627 B11R1.53 CCN1CCOC[C@H]1C(F)F 1e8e6156d312f3e0f7f1f10e79c46d1e [0,1,0,1,0,0|2,0,0]=4 16628 B11R1.53 CC[C@@H]1CCCCN1C(C)C 9dbd150ec601d34834808bc671a777ff [0,1,0,1,0,0|2,0,0]=4 16629 B11R1.53 CC[C@@H]1COCCN1C(=O)C 7fdffc15c971fbe37aea280231e59131 [0,1,0,1,0,0|1,0,1]=4 16630 B11R1.53 CC[C@@H]1COCCN1C(C)C 2c0d1034480601baf420ae8521931ba2 [0,1,0,1,0,0|1,0,0]=3 16631 B11R1.53 CC[C@H]1CCCCN1C(C)C 15f180ee366d242beb7e8df8b01a4531 [0,1,0,1,0,0|2,0,0]=4 16632 B11R1.53 CC[C@H]1COCCN1C(=O)C 9048e0bf415d52b57570f4aa3fbdca7c [0,1,0,1,0,0|1,0,1]=4 16633 B11R1.53 CC[C@H]1COCCN1C(C)C 0ae2a34255dcdf3ee334898303527edb [0,1,0,1,0,0|1,0,0]=3 16634 B11R1.57 CC(C)NC1COCC1CO 809be2a07ff0b101c3a9f69f95b300e4 [0,1,0,1,0,0|2,0,0]=4 16635 B11R1.57 CC(C)N[C@@H]1COC[C@H]1CO 8b7a01fb43c0a4e557c1b8583782a2d1 [0,1,0,1,0,0|2,0,0]=4 16636 B11R1.57 CCC1CCCN1CC(C)C 1990dc38516a2124343f8fa433cd79c5 [0,1,0,1,0,0|2,0,0]=4 16637 B11R1.57 CCC1CCCN1CC(C)O b08912f4ae8ba9bd36687d6052586ea9 [0,1,0,1,0,0|2,0,0]=4 16638 B11R1.57 CCC1CCCN1C[C@@H](C)O 37a772954d12651c1774e8163cf8e38d [0,1,0,1,0,0|2,0,0]=4 16639 B11R1.57 CCC1CCCN1C[C@H](C)O bcb4994090664b7c43ab623961dcc860 [0,1,0,1,0,0|2,0,0]=4 16640 B11R1.57 CCN1CCCC1CC(C)C abe2f5c2462182020efee1ab28b7958f [0,1,0,1,0,0|2,0,0]=4 16641 B11R1.57 CC[C@@H]1CCCN1CC(C)C db1e90007326947555222bbc579f2e0f [0,1,0,1,0,0|2,0,0]=4 16642 B11R1.57 CC[C@@H]1CCCN1CC(C)O a86924fcd76aac7c9da8412c26b51e4f [0,1,0,1,0,0|2,0,0]=4 16643 B11R1.57 CC[C@@H]1CCCN1C[C@@H](C)O bfbf5a29cf72a1035f339352ff190511 [0,1,0,1,0,0|2,0,0]=4 16644 B11R1.57 CC[C@@H]1CCCN1C[C@H](C)O f8bdccf003dab62d373d76976e65cece [0,1,0,1,0,0|2,0,0]=4 16645 B11R1.57 CC[C@@H]1CCC[C@H]1NC(C)C 7d0ff8c8d45ce0f29a84581295e1d3f9 [0,1,0,1,0,0|2,0,0]=4 16646 B11R1.57 COC1COCC1NC(C)C 89ba13cf02d07efa1e562dbf392c7e43 [0,1,0,1,0,0|2,0,0]=4 16647 B11R1.57 CO[C@@H]1COC[C@@H]1NC(C)C 92d1a8373456bb09864607f74daa6f10 [0,1,0,1,0,0|2,0,0]=4 16648 B11R1.57 CO[C@@H]1COC[C@H]1NC(C)C b0c9c7896c38ca065b43e8a0b15d8955 [0,1,0,1,0,0|2,0,0]=4 16649 B11R1.57 CO[C@H]1COC[C@@H]1NC(C)C c06e4f1e039218bdcc5247af9822ee42 [0,1,0,1,0,0|2,0,0]=4 16650 B11R1.57 CO[C@H]1COC[C@H]1NC(C)C e55faef67575e8e260a36c3ad4d30734 [0,1,0,1,0,0|2,0,0]=4 16651 B11R1.86 CC(C)CN1CCCCC1C 7e6c44644fa1b65a061c9a541a5265e8 [0,1,0,1,0,0|2,0,0]=4 16652 B11R1.86 CC(C)CN1CCCC[C@@H]1C b384962572375a1d6f7eb1f96a641baa [0,1,0,1,0,0|2,0,0]=4 16653 B11R1.86 CC(C)CN1CCCC[C@H]1C f32f034b8cd489d424495a56c43084df [0,1,0,1,0,0|2,0,0]=4 16654 B11R1.86 CC(C)NC1CCCCC1C 59fffc5078675fc3d3f8a588629cd683 [0,1,0,1,0,0|2,0,0]=4 16655 B11R1.86 CC(C)N[C@@H]1CCCC[C@@H]1C b80de803d2ac32a37de443807bca7d09 [0,1,0,1,0,0|2,0,0]=4 16656 B11R1.86 CC(C)N[C@@H]1CCCC[C@H]1C be82855be400f4004c267990a9f5b9b6 [0,1,0,1,0,0|2,0,0]=4 16657 B11R1.86 CC(C)N[C@@H]1COCC[C@@H]1O dd05a7137b8f9477e4cf3b8ca4be4be5 [0,1,0,1,0,0|2,0,0]=4 16658 B11R1.86 CC(C)N[C@@H]1COCC[C@H]1O f0ee655fcb8f6ef371a4ba297a407890 [0,1,0,1,0,0|2,0,0]=4 16659 B11R1.86 CC(C)N[C@H]1CCCC[C@@H]1C 4111eb3ea0118e5acd989275b2287c72 [0,1,0,1,0,0|2,0,0]=4 16660 B11R1.86 CC(C)N[C@H]1CCCC[C@H]1C 5ddc71ba6810859085c63da636d18679 [0,1,0,1,0,0|2,0,0]=4 16661 B11R1.86 CC(C)N[C@H]1COCC[C@@H]1O 7117036d8a985a15a515cf8eb0bbe2d7 [0,1,0,1,0,0|2,0,0]=4 16662 B11R1.86 CC(C)N[C@H]1COCC[C@H]1O ec0fbfa53b329599636ca3e5e621fd38 [0,1,0,1,0,0|2,0,0]=4 16663 B11R1.86 CC(C)OC1CCCCC1C b4c267bb3b9407b9284b4f055ae2de60 [0,1,0,1,0,0|2,0,0]=4 16664 B11R1.86 CC(C)O[C@@H]1CCCC[C@@H]1C f3f862e5cd7c7e64b484aab9f56b2096 [0,1,0,1,0,0|2,0,0]=4 16665 B11R1.86 CC(C)O[C@H]1CCCC[C@@H]1C 64cafc3979af74337ea251fe8ffa8fbe [0,1,0,1,0,0|2,0,0]=4 16666 B11R1.86 CC(C)O[C@H]1CCCC[C@H]1C 39bbc4065e1eb39991f25781ceb406de [0,1,0,1,0,0|2,0,0]=4 16667 B11R1.86 CC(O)CN1CCCCC1C 9d1a770d8c6ffc9de988cc511348705e [0,1,0,1,0,0|2,0,0]=4 16668 B11R1.86 CC(O)CN1CCCC[C@@H]1C 9c8cfb57d89cf66010f3efcebc7fe58c [0,1,0,1,0,0|2,0,0]=4 16669 B11R1.86 CC(O)CN1CCCC[C@H]1C 02a958dfbac6e1d310ffb64db6fb82bf [0,1,0,1,0,0|2,0,0]=4 16670 B11R1.86 CC1CCCCN1C[C@@H](C)O 1d631de616b3f66a4c20cc8d16f043a6 [0,1,0,1,0,0|2,0,0]=4 16671 B11R1.86 CC1CCCCN1C[C@H](C)O fdcf1f4aa6cf52991110da7e3f59d550 [0,1,0,1,0,0|2,0,0]=4 16672 B11R1.86 C[C@@H](O)CN1CCCC[C@@H]1C 6533e1fd1ce09c7b87ce64552cb60745 [0,1,0,1,0,0|2,0,0]=4 16673 B11R1.86 C[C@@H]1CCCCN1C[C@@H](C)O b1f6ca06f1750494bca4672f61144d55 [0,1,0,1,0,0|2,0,0]=4 16674 B11R1.86 C[C@H](O)CN1CCCC[C@@H]1C c9267625a00653d10cc5b362431a7302 [0,1,0,1,0,0|2,0,0]=4 16675 B11R1.86 C[C@H](O)CN1CCCC[C@H]1C 52f856f74c0a46ea90e1bd35af995aec [0,1,0,1,0,0|2,0,0]=4 16676 B11R1.90 C=C(C)CCN1CCCC1C 87a1a81c80f3154aa2c2456c289e7364 [0,1,0,1,0,0|1,0,1]=4 16677 B11R1.90 C=C(C)CCN1CCC[C@@H]1C 788d855812be09f408be47bc85589895 [0,1,0,1,0,0|1,0,1]=4 16678 B11R1.90 C=C(C)CCN1CCC[C@H]1C 9a74a6f80472fad0eb29fb68d2942eb9 [0,1,0,1,0,0|1,0,1]=4 16679 B11R1.90 CC(=O)CCN1CCCC1C ab55e2f108912d002326fbc457da1c44 [0,1,0,1,0,0|1,0,1]=4 16680 B11R1.90 CC(=O)CCN1CCC[C@@H]1C dc6ff659b42cbdb6029974e19a8a3368 [0,1,0,1,0,0|1,0,1]=4 16681 B11R1.90 CC(=O)CCN1CCC[C@H]1C 7d2b7f9be62fb5dde93f0a91e0251b7e [0,1,0,1,0,0|1,0,1]=4 16682 B11R1.90 CC(C)CCN1CCCC1C 6d7f21807177c897eebf743c338f5f78 [0,1,0,1,0,0|1,0,0]=3 16683 B11R1.90 CC(C)CCN1CCCC1O a7c1e248c9a39e94aa9ebfa18b460cb1 [0,1,0,1,0,0|2,0,0]=4 16684 B11R1.90 CC(C)CCN1CCC[C@@H]1C d20b498e428f0de8f13f47699a61bc3a [0,1,0,1,0,0|1,0,0]=3 16685 B11R1.90 CC(C)CCN1CCC[C@H]1C 97c280483f2161912a4bcc726de0ee18 [0,1,0,1,0,0|1,0,0]=3 16686 B11R1.90 CC(C)CCN1CCSC1C 1a2a92131c77d65efa31ac4678f31a16 [0,1,0,1,0,0|2,0,0]=4 16687 B11R1.90 CC(C)COC1CCCC1C 48615804ded09223746f73b73c1b367e [0,1,0,1,0,0|2,0,0]=4 16688 B11R1.90 CC(C)CO[C@@H]1CCC[C@@H]1C aa2f547a396e8147424428845484c318 [0,1,0,1,0,0|2,0,0]=4 16689 B11R1.90 CC(C)CO[C@@H]1CCC[C@H]1C 95c8507c650a23b54663a8d0ef3f70da [0,1,0,1,0,0|2,0,0]=4 16690 B11R1.90 CC(C)CO[C@H]1CCC[C@@H]1C 01d0a29d7a72806e0d7b59347c663abb [0,1,0,1,0,0|2,0,0]=4 16691 B11R1.90 CC(C)CO[C@H]1CCC[C@H]1C 2dd511a60d77abf4d381d74807ddf79f [0,1,0,1,0,0|2,0,0]=4 16692 B11R1.90 CC(C)OCC1CCCC1C 27fdb38e13dfe0110a5ec49b89cca334 [0,1,0,1,0,0|2,0,0]=4 16693 B11R1.90 CC(C)OCC1OCCC1C 400bdb539cb7c6ee84668e33b1f3a983 [0,1,0,1,0,0|1,0,0]=3 16694 B11R1.90 CC(C)OCN1CCCC1C 88f609c109f2b5928eba919ef8f55d6d [0,1,0,1,0,0|2,0,0]=4 16695 B11R1.90 CC(C)OCN1CCC[C@@H]1C 853fda1033050e919be909e27fb4898b [0,1,0,1,0,0|2,0,0]=4 16696 B11R1.90 CC(C)OCN1CCC[C@H]1C ab8e3a917e01153b0c806a105007314a [0,1,0,1,0,0|2,0,0]=4 16697 B11R1.90 CC(O)CCN1CCCC1C 0534d9fafec12288d1bffcc4dbcba705 [0,1,0,1,0,0|1,0,0]=3 16698 B11R1.90 CC(O)CCN1CCCC1O 6fc349970a7321ac4440ec0492b9af9f [0,1,0,1,0,0|2,0,0]=4 16699 B11R1.90 CC(O)CCN1CCC[C@@H]1C 9971487b5c3d4c90ac0c7790a8fbf742 [0,1,0,1,0,0|1,0,0]=3 16700 B11R1.90 CC(O)CCN1CCC[C@H]1C d3da0fc2f580ed5f28623b0b34f807f5 [0,1,0,1,0,0|1,0,0]=3 16701 B11R1.90 CC(O)CCN1CCSC1C e2d255f362d857ef3668c2e7e3b91eef [0,1,0,1,0,0|2,0,0]=4 16702 B11R1.90 CC1CCCN1CCN(C)C 9c9f14a719c54100d3fead5a250beb36 [0,1,0,1,0,0|2,0,0]=4 16703 B11R1.90 CC1CCCN1CCS(=O)C 7079475bea2b015bff24900a5455a28b [0,1,0,1,0,0|2,0,0]=4 16704 B11R1.90 C[C@@H]1CCCN1CCN(C)C 57e399dd1257cbb8b5e13f866c7d9ae3 [0,1,0,1,0,0|2,0,0]=4 16705 B11R1.90 C[C@@H]1CCCN1CCS(=O)C 5b6eaa3e4207586fd3eec5c45a70e741 [0,1,0,1,0,0|2,0,0]=4 16706 B11R1.90 C[C@H]1CCCN1CCN(C)C 7b276a04ca5367c5afe6f018c9d9f042 [0,1,0,1,0,0|2,0,0]=4 16707 B11R1.90 C[C@H]1CCCN1CCS(=O)C ec499272fd606ee0bbecc6da119d1e5b [0,1,0,1,0,0|2,0,0]=4 16708 B11R1.91 C=C(C)CNC1CCCCO1 494ebd1b2e98bab8458cefc333418f8a [0,1,0,1,0,0|1,0,1]=4 16709 B11R1.91 C=C(C)COC1CCCCO1 8f5405a3f95dcf1a9b7db14018beee27 [0,1,0,1,0,0|1,0,1]=4 16710 B11R1.91 CC(=O)CNC1CCCCO1 640e2d5dd77a8849aa1935cd7a9aaaec [0,1,0,1,0,0|1,0,1]=4 16711 B11R1.91 CC(=O)COC1CCCCO1 3d4068b55a8ce6af68b0e3cc3b7d2997 [0,1,0,1,0,0|1,0,1]=4 16712 B11R1.91 CC(=O)NCC1CCCCO1 d41d6bb17f3dbf038f44a0f16313e24b [0,1,0,1,0,0|1,0,1]=4 16713 B11R1.91 CC(C)CCN1CCCOC1 704f801eb390c59684f385969bc1d878 [0,1,0,1,0,0|2,0,0]=4 16714 B11R1.91 CC(C)CCN1CCCSC1 c9123ba49f503e20872213fc84b8db12 [0,1,0,1,0,0|2,0,0]=4 16715 B11R1.91 CC(C)CCN1CCOCC1 595a964688d5f56f28db182cf7b57608 [0,1,0,1,0,0|2,0,0]=4 16716 B11R1.91 CC(C)CCN1CCSCC1 75a167325b90edc5fc677b7c8c165512 [0,1,0,1,0,0|2,0,0]=4 16717 B11R1.91 CC(C)CNC1CCCCC1 fbf9e8f1dab722f87d1182bd78b8cdee [0,1,0,1,0,0|2,0,0]=4 16718 B11R1.91 CC(C)CNC1CCCCO1 49cb469a7880fc8b9f528bb625176bcc [0,1,0,1,0,0|1,0,0]=3 16719 B11R1.91 CC(C)COC1CCCCC1 7819b34cbd8ad7c57fa1b5b9ae584724 [0,1,0,1,0,0|2,0,0]=4 16720 B11R1.91 CC(C)COC1CCCCO1 40f513169d44a38a9d3addb7c001d232 [0,1,0,1,0,0|1,0,0]=3 16721 B11R1.91 CC(C)NCC1CCCCC1 9daf273094f9db4efa50b8bb51dc3651 [0,1,0,1,0,0|2,0,0]=4 16722 B11R1.91 CC(C)NCC1CCCCO1 51ffc1dbfb55c5f40a149986adb282a5 [0,1,0,1,0,0|1,0,0]=3 16723 B11R1.91 CC(C)NCC1COCCO1 920d503985bc84b04436782df027dece [0,1,0,1,0,0|2,0,0]=4 16724 B11R1.91 CC(C)NC[C@H]1COCCO1 4c5dfa5c3613141cdd89400ab2c3da2e [0,1,0,1,0,0|2,0,0]=4 16725 B11R1.91 CC(C)OCC1CCCCC1 51cc2d63a8c37a12d3bab34a3922fdb2 [0,1,0,1,0,0|2,0,0]=4 16726 B11R1.91 CC(C)OCC1CCCCO1 20acd8f7ac6aa86a8b31738edacf0c05 [0,1,0,1,0,0|1,0,0]=3 16727 B11R1.91 CC(C)OCC1COCCO1 5e9bd5637fab2cbbb31e92008e57e9d2 [0,1,0,1,0,0|2,0,0]=4 16728 B11R1.91 CC(C)OC[C@@H]1CCCCO1 0766e11af823d141a1d14141a013c84f [0,1,0,1,0,0|1,0,0]=3 16729 B11R1.91 CC(C)OC[C@@H]1COCCO1 5de7db5c9756cc9ede4a507f8d8db9c9 [0,1,0,1,0,0|2,0,0]=4 16730 B11R1.91 CC(C)OC[C@H]1CCCCO1 2ecca1fe337e2edf1e5a0c64b75c4580 [0,1,0,1,0,0|1,0,0]=3 16731 B11R1.91 CC(C)OC[C@H]1COCCO1 68c955eb7712dbc17d99655a34893d7b [0,1,0,1,0,0|2,0,0]=4 16732 B11R1.91 CC(F)COC1CCCCC1 7994f2c32f011028084b3cffbdd02931 [0,1,0,1,0,0|2,0,0]=4 16733 B11R1.91 CC(F)COC1CCCCO1 e35475e0c9e52c94a702a8735ba079d0 [0,1,0,1,0,0|1,0,0]=3 16734 B11R1.91 CC(O)CCN1CCCOC1 9c1b5fd1f1b8327b2fecda6c58d4e57f [0,1,0,1,0,0|2,0,0]=4 16735 B11R1.91 CC(O)CCN1CCCSC1 0a0f20c2909e70336ed0748e73c5df34 [0,1,0,1,0,0|2,0,0]=4 16736 B11R1.91 CC(O)CCN1CCOCC1 4029f9c135363e4246345a93ffba9c41 [0,1,0,1,0,0|2,0,0]=4 16737 B11R1.91 CC(O)CCN1CCSCC1 e65ed86e4940568795c8f1866216a1af [0,1,0,1,0,0|2,0,0]=4 16738 B11R1.91 CC(O)CNC1CCCCC1 cd24f4a1c32e632345ce0698292b8646 [0,1,0,1,0,0|2,0,0]=4 16739 B11R1.91 CC(O)CNC1CCCCO1 c6ce164ae9f299ae4d638a762eb56ed1 [0,1,0,1,0,0|1,0,0]=3 16740 B11R1.91 CC(S)COC1CCCCC1 df891f233fec9585db2fa6e81d33cca4 [0,1,0,1,0,0|2,0,0]=4 16741 B11R1.91 CC(S)COC1CCCCO1 fd84d3959543aaab4ab40bafc0c4b81d [0,1,0,1,0,0|1,0,0]=3 16742 B11R1.91 CN(C)COC1CCCCO1 538b8ae2f0f9b604e58197503c611b16 [0,1,0,1,0,0|2,0,0]=4 16743 B11R1.91 C[C@@H](F)COC1CCCCC1 edb6f87500f078cc9680d2382285d974 [0,1,0,1,0,0|2,0,0]=4 16744 B11R1.91 C[C@@H](F)COC1CCCCO1 a90b6aa9cfe069c07e321e40e79f9ea2 [0,1,0,1,0,0|1,0,0]=3 16745 B11R1.91 C[C@@H](O)CNC1CCCCC1 91e9a88b20b24b38b0d78b488a0fe9c0 [0,1,0,1,0,0|2,0,0]=4 16746 B11R1.91 C[C@@H](O)CNC1CCCCO1 7e6111bfc3eeed3731f4b1fa663d2ff4 [0,1,0,1,0,0|1,0,0]=3 16747 B11R1.91 C[C@H](F)COC1CCCCC1 2dbbff1b6360423349c10857f3204dfa [0,1,0,1,0,0|2,0,0]=4 16748 B11R1.91 C[C@H](F)COC1CCCCO1 5f07638e21b010ba0903884a0627430d [0,1,0,1,0,0|1,0,0]=3 16749 B11R1.91 C[C@H](O)CNC1CCCCC1 2b10c0e5471b4cfd1de8bc851a4f8b1e [0,1,0,1,0,0|2,0,0]=4 16750 B11R1.91 C[C@H](O)CNC1CCCCO1 f9ed8a3dfae51ca2b67627884ce0e9d2 [0,1,0,1,0,0|1,0,0]=3 16751 B11R1.91 FC(F)CNC1CCCCO1 fb3d0030706b166b8d10f12bcf827fc1 [0,1,0,1,0,0|2,0,0]=4 16752 B11R1.91 FC(F)COC1CCCCO1 580452360e6f9a3747ff6149086e0ba7 [0,1,0,1,0,0|2,0,0]=4 16753 B11R1.99 C#CCCCCNCC1CC1 9940ae81ae84fc0e26f5bef6a2223a2a [0,1,0,1,0,0|1,0,1]=4 16754 B11R1.99 C#CCCCCOCC1CC1 252310b197d67f8c06c692ad703ae3d8 [0,1,0,1,0,0|0,0,1]=3 16755 B11R1.99 C#CCCCNCCC1CC1 843eea7dd071164b11f7a4bdf5ebf47e [0,1,0,1,0,0|1,0,1]=4 16756 B11R1.99 C#CCCCOCCC1CC1 400693f1ecc0fc123b2cf06da50ef4ea [0,1,0,1,0,0|0,0,1]=3 16757 B11R1.99 C#CCCCOCCN1CC1 dedba3ece6850921e79b30fe330f274b [0,1,0,1,0,0|0,0,2]=4 16758 B11R1.99 C#CCCOCCCC1CC1 b1168fcbf04ca9490677bb4f6fb13984 [0,1,0,1,0,0|0,0,2]=4 16759 B11R1.99 C#CCCOCCOC1CC1 28573bf8ba897a8b23bb9f49251f0581 [0,1,0,1,0,0|0,0,2]=4 16760 B11R1.99 C#CCOCCOCC1CC1 d43acc433ec03f2b757b7d76e1d42951 [0,1,0,1,0,0|0,0,2]=4 16761 B11R1.99 C/C=C/CCCOCC1CC1 d4749e9a229067cc741cc3ff45b28fa9 [0,1,0,1,0,0|0,0,1]=3 16762 B11R1.99 C/C=C/CCOCCC1CC1 a1dbd6fac48dc1acad62b2205f7eabe4 [0,1,0,1,0,0|0,0,1]=3 16763 B11R1.99 C/C=C/COCCCC1CC1 fe80b85ffe2ee035088ada22c7108f25 [0,1,0,1,0,0|0,0,2]=4 16764 B11R1.99 C/C=C/COCCOC1CC1 28d93c956208d567823d7da6c984fbda [0,1,0,1,0,0|0,0,2]=4 16765 B11R1.99 C/C=C\CCCNCC1CC1 d18bf6f6a7846d955205e468458723c5 [0,1,0,1,0,0|1,0,1]=4 16766 B11R1.99 C/C=C\CCCOCC1CC1 d2f63b175b71e5c602a41c7866586a15 [0,1,0,1,0,0|0,0,1]=3 16767 B11R1.99 C/C=C\COCCCC1CC1 43b2696c9fd59e4d90577f2149fa76d7 [0,1,0,1,0,0|0,0,2]=4 16768 B11R1.99 C/C=C\COCCOC1CC1 5c42d5be3a03a6a549b61c8c666c5498 [0,1,0,1,0,0|0,0,2]=4 16769 B11R1.99 C=C=CCCOCCC1CC1 de379cf239804f4633333ff1e941f47f [0,1,0,1,0,0|0,0,2]=4 16770 B11R1.99 C=CCCCCNCC1CC1 d27b3b076830d31dce7aec90bf588acb [0,1,0,1,0,0|1,0,1]=4 16771 B11R1.99 C=CCCCCOCC1CC1 229cac9d793b210a46fd3a83d0af4804 [0,1,0,1,0,0|0,0,1]=3 16772 B11R1.99 C=CCCCNCCC1CC1 d006fb5a4548741f9b0e62246d887f65 [0,1,0,1,0,0|1,0,1]=4 16773 B11R1.99 C=CCCCOCCC1CC1 da25b9803faa3812cac4bb9a2d0ca034 [0,1,0,1,0,0|0,0,1]=3 16774 B11R1.99 C=CCCCOCCN1CC1 10f6d28213d1be90b4a3a12d174f4e5e [0,1,0,1,0,0|0,0,2]=4 16775 B11R1.99 C=CCCOCCCC1CC1 2112eb7be1093c7c646dd708a882b66f [0,1,0,1,0,0|0,0,2]=4 16776 B11R1.99 C=CCCOCCOC1CC1 b374d37b6ae5c457b87bbe36014e6fa5 [0,1,0,1,0,0|0,0,2]=4 16777 B11R1.99 C=CCOCCOCC1CC1 62772ee666182cd222895c8cb99fed2e [0,1,0,1,0,0|0,0,2]=4 16778 B11R1.99 C=COCCOCCC1CC1 a85722025f4769e77ca901861566fc3b [0,1,0,1,0,0|0,0,2]=4 16779 B11R1.99 CC#CCCCNCC1CC1 14bd33e6458c4a71d5a8a2f07097a80e [0,1,0,1,0,0|1,0,1]=4 16780 B11R1.99 CC#CCCCOCC1CC1 09519887ed872dd6e13086e429d0a646 [0,1,0,1,0,0|0,0,1]=3 16781 B11R1.99 CC#CCCOCCC1CC1 005d4281c2a2733642c47b6b0fa65713 [0,1,0,1,0,0|0,0,1]=3 16782 B11R1.99 CC#CCOCCCC1CC1 0c704054641c83b7abe6769a31b922da [0,1,0,1,0,0|0,0,2]=4 16783 B11R1.99 CC#CCOCCOC1CC1 02f6ea9e1b69456ecb575db584dde3db [0,1,0,1,0,0|0,0,2]=4 16784 B11R1.99 CC/C=C/CCOCC1CC1 294b7410b3559ceb13f45999d1d632f0 [0,1,0,1,0,0|0,0,1]=3 16785 B11R1.99 CC/C=C/CNCCC1CC1 7cfe514ab683e2072aef3cc2de73ac7d [0,1,0,1,0,0|1,0,1]=4 16786 B11R1.99 CC/C=C/COCCC1CC1 e60f718b4365dafcc26e4560f648dddc [0,1,0,1,0,0|0,0,1]=3 16787 B11R1.99 CC/C=C/COCCN1CC1 c88fcd4c1cb9d0bb62288022ec377c6b [0,1,0,1,0,0|0,0,2]=4 16788 B11R1.99 CC/C=C\CCNCC1CC1 1ad815cda3a906ca48f48c817cca453b [0,1,0,1,0,0|1,0,1]=4 16789 B11R1.99 CC/C=C\CCOCC1CC1 1ee9fb3aed74fc375d4b46d5a41dfafc [0,1,0,1,0,0|0,0,1]=3 16790 B11R1.99 CC/C=C\COCCC1CC1 045eaad199294c15189cf29975640228 [0,1,0,1,0,0|0,0,1]=3 16791 B11R1.99 CC=C=CCCOCC1CC1 e57dc489d7e813150afc37be0703ca71 [0,1,0,1,0,0|0,0,2]=4 16792 B11R1.99 CC=CCCCOCC1CC1 527654ad1b985a93ae396cc8fcc0f7a6 [0,1,0,1,0,0|0,0,1]=3 16793 B11R1.99 CC=CCOCCOC1CC1 a516c9d45f2488ebf1666bf35e408768 [0,1,0,1,0,0|0,0,2]=4 16794 B11R1.99 CCC#CCCOCC1CC1 8a9193a57d64b050c2c782ebfdbbc354 [0,1,0,1,0,0|0,0,1]=3 16795 B11R1.99 CCC#CCNCCC1CC1 beb742e45ff8bd9ec8ad34f37d2bc449 [0,1,0,1,0,0|1,0,1]=4 16796 B11R1.99 CCC#CCOCCC1CC1 9ccf6e810349151467a452c03cd8776e [0,1,0,1,0,0|0,0,1]=3 16797 B11R1.99 CCC#CCOCCN1CC1 2b331b39983819e802b4b9fa017dca52 [0,1,0,1,0,0|0,0,2]=4 16798 B11R1.99 CCC/C=C/CNCC1CC1 06a991938bed43a404d33dca3bddb1c9 [0,1,0,1,0,0|1,0,1]=4 16799 B11R1.99 CCC/C=C/COCC1CC1 d17ca3e00eb49e45de2347b0bc3a8dd2 [0,1,0,1,0,0|0,0,1]=3 16800 B11R1.99 CCC/C=C\CCOC1CC1 99a1462f77ef4a50fd3a85ce74b7aad9 [0,1,0,1,0,0|1,0,1]=4 16801 B11R1.99 CCC/C=C\CNCC1CC1 1886fd1afeeae8f7cad6b13134f7808f [0,1,0,1,0,0|1,0,1]=4 16802 B11R1.99 CCC/C=C\COCC1CC1 6e487078a9ec05e25080372d2041ea69 [0,1,0,1,0,0|0,0,1]=3 16803 B11R1.99 CCCC#CCCOC1CC1 28504cfb834a89cd65f65674c82a2cff [0,1,0,1,0,0|1,0,1]=4 16804 B11R1.99 CCCC#CCOCC1CC1 b03ecf700a6e4f20b70883878dff2c61 [0,1,0,1,0,0|0,0,1]=3 16805 B11R1.99 CCCC/C=C/CNC1CC1 98bf18f449a685d1312d925a8b874217 [0,1,0,1,0,0|1,0,1]=4 16806 B11R1.99 CCCC/C=C/COC1CC1 c0ad695be6e4728d6293d8a5b4288a3d [0,1,0,1,0,0|1,0,1]=4 16807 B11R1.99 CCCC/C=C\CNC1CC1 05df4cc786e7a969d0e6530db744ff18 [0,1,0,1,0,0|1,0,1]=4 16808 B11R1.99 CCCC/C=C\COC1CC1 18d0148a9d47ca2a5416dcf42820955f [0,1,0,1,0,0|1,0,1]=4 16809 B11R1.99 CCCCC#CCOC1CC1 747c01ff1a6095e09f6c004d1bab0372 [0,1,0,1,0,0|1,0,1]=4 16810 B11R1.99 CCCCCCCNC1CC1 f3eda5f5f3ce39f724aa2c899a2a9b33 [0,1,0,1,0,0|1,0,0]=3 16811 B11R1.99 CCCCCCCOC1CC1 cf4fbfbf4e38a1d8c5b44b3a3b2e5bcf [0,1,0,1,0,0|1,0,0]=3 16812 B11R1.99 CCCCCCNCC1CC1 684af512ae233f85f91baeda69d9f7e3 [0,1,0,1,0,0|1,0,0]=3 16813 B11R1.99 CCCCCCOCC1CC1 c1ddb491c84df944feccf1fa581b283b [0,1,0,1,0,0|0,0,0]=2 16814 B11R1.99 CCCCCNCCC1CC1 c4d20616f255ff4790a007a5e8bed20b [0,1,0,1,0,0|1,0,0]=3 16815 B11R1.99 CCCCCNCCN1CC1 8249e5c9b6c732d2ae75aea6965ec72b [0,1,0,1,0,0|1,0,0]=3 16816 B11R1.99 CCCCCOCCC1CC1 2883dd530cdf1deba1e1e0b9e17420f1 [0,1,0,1,0,0|0,0,0]=2 16817 B11R1.99 CCCCCOCCN1CC1 6b1c872e28d55afbf738151c32fda9bb [0,1,0,1,0,0|0,0,0]=2 16818 B11R1.99 CCCCNCCOC1CC1 63f96faf714285854020fe4adf653aa2 [0,1,0,1,0,0|1,0,0]=3 16819 B11R1.99 CCCCOC/C=C/C1CC1 015b5a67af08c04a68a897d2b4c54a9a [0,1,0,1,0,0|0,0,1]=3 16820 B11R1.99 CCCCOCC#CC1CC1 a04c3f414d78a2e4be80e7bfa7de9d47 [0,1,0,1,0,0|0,0,1]=3 16821 B11R1.99 CCCCOCCCC1CC1 d650cf0b4a53cbc1cf29dc528b7d050d [0,1,0,1,0,0|0,0,0]=2 16822 B11R1.99 CCCCOCCNC1CC1 df852f75fec1db6918290bf083a8395f [0,1,0,1,0,0|0,0,0]=2 16823 B11R1.99 CCCCOCCOC1CC1 23b6b44f5f96de65cb8d23158a02c9bd [0,1,0,1,0,0|0,0,0]=2 16824 B11R1.99 CCCCOCNCC1CC1 c9a714f324a258255a555d1b6e7f7dc5 [0,1,0,1,0,0|0,0,0]=2 16825 B11R1.99 CCCCOCOCC1CC1 b78bd3a2d34280c1b4f8d5009f0cfab8 [0,1,0,1,0,0|0,0,0]=2 16826 B11R1.99 CCCCSCCOC1CC1 cb67e33752c0e3c706667a776ad8ac9c [0,1,0,1,0,0|0,1,0]=3 16827 B11R1.99 CCCNCCSCC1CC1 fa7e46283aa3a245813b7cd992bfaf59 [0,1,0,1,0,0|0,1,0]=3 16828 B11R1.99 CCCOCCCNC1CC1 ec1a7c31da99a152daf3d504aaf5ed79 [0,1,0,1,0,0|2,0,0]=4 16829 B11R1.99 CCCOCCCOC1CC1 bd229794adcfd9e9a12408b3666999f0 [0,1,0,1,0,0|2,0,0]=4 16830 B11R1.99 CCCOCCCSC1CC1 b45c71dd0296857cf457400694693008 [0,1,0,1,0,0|2,0,0]=4 16831 B11R1.99 CCCOCCNCC1CC1 b606f5c7402e5244e4e1d44db2d02942 [0,1,0,1,0,0|1,0,0]=3 16832 B11R1.99 CCCOCCOCC1CC1 85495a4e26b5c1a028b1e8d96206832d [0,1,0,1,0,0|0,0,0]=2 16833 B11R1.99 CCCSCCOCC1CC1 d8487b5b3742d5992a98fc7bb22dc0f0 [0,1,0,1,0,0|0,0,0]=2 16834 B11R1.99 CCNCCCOCC1CC1 6eda03a6a2cf992c68021677899fc831 [0,1,0,1,0,0|0,0,0]=2 16835 B11R1.99 CCOCCCNCC1CC1 253f5752b3f31c814322b213376734e7 [0,1,0,1,0,0|1,0,0]=3 16836 B11R1.99 CCOCCCOCC1CC1 657c6aba8b16a5040eb53f45200a0859 [0,1,0,1,0,0|0,0,0]=2 16837 B11R1.99 CCOCCNCCC1CC1 3cc762e2d18ddeb5ac4577f8169fd01f [0,1,0,1,0,0|1,0,0]=3 16838 B11R1.99 CCOCCNCCN1CC1 4467376869599709fad90dc148b74d74 [0,1,0,1,0,0|2,0,0]=4 16839 B11R1.99 CCOCCOCCC1CC1 f447a4b140ef907f69a618608da06140 [0,1,0,1,0,0|0,0,0]=2 16840 B11R1.99 CCOCCOCCN1CC1 b754e5852f73fe37744dbc978daac252 [0,1,0,1,0,0|1,0,0]=3 16841 B11R1.99 CCOCNCCOC1CC1 0a1087ac0079083482c5bd3477b31853 [0,1,0,1,0,0|2,0,0]=4 16842 B11R1.99 CCOCOC/C=C/C1CC1 65eac25d82d4e33efe5051286d92497e [0,1,0,1,0,0|1,0,1]=4 16843 B11R1.99 CCOCOCC#CC1CC1 99ab0fbb0d06c750dcdb196890bf7c42 [0,1,0,1,0,0|1,0,1]=4 16844 B11R1.99 CCOCOCCCC1CC1 1f884ce556bece9b2e003de139d88c0e [0,1,0,1,0,0|1,0,0]=3 16845 B11R1.99 CCOCOCCOC1CC1 95963cdda1efe47a5ad65e800a1ccb1a [0,1,0,1,0,0|1,0,0]=3 16846 B11R1.99 CCSCCCCNC1CC1 53eebcdccd371c9992b632ba3b0eabf2 [0,1,0,1,0,0|2,0,0]=4 16847 B11R1.99 CCSCCCNCC1CC1 ac0448adc67066d0434a353eab1dd50a [0,1,0,1,0,0|1,0,0]=3 16848 B11R1.99 CCSCCCOCC1CC1 ec90fee823386d322da894d439977833 [0,1,0,1,0,0|0,0,0]=2 16849 B11R1.99 CCSCCNCCC1CC1 7285c07f217a4c835aa8eb41e9e6b738 [0,1,0,1,0,0|1,0,0]=3 16850 B11R1.99 CCSCCNCCN1CC1 763e7bd19f4dfdac0ad20ccabfc3ed51 [0,1,0,1,0,0|2,0,0]=4 16851 B11R1.99 CCSCCOCCC1CC1 d2537e4f56462f69584ef27d9b7c569a [0,1,0,1,0,0|0,0,0]=2 16852 B11R1.99 CCSCCOCCN1CC1 78390dbd65c055acca9d4512dd95fcc7 [0,1,0,1,0,0|1,0,0]=3 16853 B11R1.99 COCC#CCOCC1CC1 6f9e9da39bec7d732019acdb973e7284 [0,1,0,1,0,0|0,0,2]=4 16854 B11R1.99 COCCCCCNC1CC1 81e0c13244e3d7e0cb9a14158bfdf5bf [0,1,0,1,0,0|2,0,0]=4 16855 B11R1.99 COCCCCCOC1CC1 5d7d991f648087cc5486318c2325352b [0,1,0,1,0,0|2,0,0]=4 16856 B11R1.99 COCCCCNCC1CC1 23bd2f374288ba4d736634f09e375beb [0,1,0,1,0,0|1,0,0]=3 16857 B11R1.99 COCCCCOCC1CC1 09d035f4def3684e121ad4a3c5bcc03a [0,1,0,1,0,0|0,0,0]=2 16858 B11R1.99 COCCCNCCC1CC1 0d907bcf4d190933623adf4ee2fefc8e [0,1,0,1,0,0|1,0,0]=3 16859 B11R1.99 COCCCNCCN1CC1 bda16926bc1f3b9c8bfca580baffed5e [0,1,0,1,0,0|2,0,0]=4 16860 B11R1.99 COCCCOCCC1CC1 00d8802b4298b7a7737ad49fa6ed7f84 [0,1,0,1,0,0|0,0,0]=2 16861 B11R1.99 COCCCOCCN1CC1 d50b7a4112e16ae6a35d144915ce7f23 [0,1,0,1,0,0|1,0,0]=3 16862 B11R1.99 COCCNCCOC1CC1 f7fed9a0843a45b334df4b2934f62e52 [0,1,0,1,0,0|2,0,0]=4 16863 B11R1.99 COCCOC/C=C/C1CC1 d89e4c31d2ed1941e7ee65e74d78471c [0,1,0,1,0,0|1,0,1]=4 16864 B11R1.99 COCCOCC#CC1CC1 7010c9f2bb2d61dc1d3d3c2814bea369 [0,1,0,1,0,0|1,0,1]=4 16865 B11R1.99 COCCOCCCC1CC1 56f581093b31fc86994198e06996e98f [0,1,0,1,0,0|1,0,0]=3 16866 B11R1.99 COCCOCCNC1CC1 25aca779c071634c34a397737b9e3c73 [0,1,0,1,0,0|1,0,0]=3 16867 B11R1.99 COCCOCCOC1CC1 f543b7c1d63f8766c8cb43d88f0171d7 [0,1,0,1,0,0|1,0,0]=3 16868 B11R1.99 COCCOCNCC1CC1 4ade999f97d02e09b6b3f88e7fb6094e [0,1,0,1,0,0|1,0,0]=3 16869 B11R1.99 COCCOCOCC1CC1 b5ef4ccdfb2d6a8de1552425ccc7f7ad [0,1,0,1,0,0|1,0,0]=3 16870 B11R1.99 COCNCCSCC1CC1 5a6310ffb50b4f66ef20b54a7b3ef67f [0,1,0,1,0,0|1,1,0]=4 16871 B11R1.99 COCOCCNCC1CC1 ae8aeca3a4d90e69c0bc333a8691175a [0,1,0,1,0,0|2,0,0]=4 16872 B11R1.99 COCOCCOCC1CC1 7f73078b76f91cf2b0741bc9e12e43fc [0,1,0,1,0,0|1,0,0]=3 16873 B11R1.99 CSCCCCNCC1CC1 eb76652fb335dca31d59ea2b4d939d11 [0,1,0,1,0,0|1,0,0]=3 16874 B11R1.99 CSCCCCOCC1CC1 86d1ee07a058962c1e22fceddc8866d3 [0,1,0,1,0,0|0,0,0]=2 16875 B11R1.99 CSCCCNCCC1CC1 d3b47cf9152fb42a128320b9055627bd [0,1,0,1,0,0|1,0,0]=3 16876 B11R1.99 CSCCCNCCN1CC1 2ad7b57d96ac95cf3e9cd6e2baaa4a02 [0,1,0,1,0,0|2,0,0]=4 16877 B11R1.99 CSCCCOCCC1CC1 29a458bb285452d8ceab705bc22123c1 [0,1,0,1,0,0|0,0,0]=2 16878 B11R1.99 CSCCCOCCN1CC1 c26df936313457b827a32daae70e4a52 [0,1,0,1,0,0|1,0,0]=3 16879 B11R1.99 CSCCNCCOC1CC1 ccc7b3e21db11b8d2327c03c37b573e5 [0,1,0,1,0,0|2,0,0]=4 16880 B11R1.99 CSCCOC/C=C/C1CC1 d109fa3ffc1b646515faa87173295136 [0,1,0,1,0,0|1,0,1]=4 16881 B11R1.99 CSCCOCC#CC1CC1 b206691574cbf3247a1b370ea18a689a [0,1,0,1,0,0|1,0,1]=4 16882 B11R1.99 CSCCOCCCC1CC1 5fdf38fef507e2e92a4e5d339bfcb78b [0,1,0,1,0,0|1,0,0]=3 16883 B11R1.99 CSCCOCCOC1CC1 bb7c3fbed0b53b4d22fa85e21e38daaa [0,1,0,1,0,0|1,0,0]=3 16884 B11R1.99 CSCNCCSCC1CC1 6d39911e52c569d0e919a862d8305528 [0,1,0,1,0,0|1,1,0]=4 16885 B11R1.99 CSCOCCOCC1CC1 953cc0f890658a774b84bdfe01ff64b0 [0,1,0,1,0,0|1,0,0]=3 16886 B11R1.99 ClCCCCCCNC1CC1 e3fc9e71b5c4542b76a6a755e5bc735f [0,1,0,1,0,0|2,0,0]=4 16887 B11R1.99 ClCCCCCNCC1CC1 ad4f86f178f036cd291b46f24df118f5 [0,1,0,1,0,0|1,0,0]=3 16888 B11R1.99 ClCCCCNCCC1CC1 53ffbcdb52da2b07afdb4ee3f6b318e4 [0,1,0,1,0,0|1,0,0]=3 16889 B11R1.99 ClCCCNCCOC1CC1 363feb7167f85ebab038e84eacf0e8c2 [0,1,0,1,0,0|2,0,0]=4 16890 B11R1.99 FCCCCCCNC1CC1 4a1e1c1188b2a1c79c72a996ed97500c [0,1,0,1,0,0|2,0,0]=4 16891 B11R1.99 FCCCCCCOC1CC1 e0c1ee0c002ef61c50dfc44f5f0dfc7a [0,1,0,1,0,0|2,0,0]=4 16892 B11R1.99 FCCCCCNCC1CC1 177af06310b9ff7db7aa12999a80e2d5 [0,1,0,1,0,0|1,0,0]=3 16893 B11R1.99 FCCCCCOCC1CC1 3e49375014a1122ca83478d257db73a6 [0,1,0,1,0,0|0,0,0]=2 16894 B11R1.99 FCCCCNCCC1CC1 1890cb94dbfb4099d1f10accc73ae231 [0,1,0,1,0,0|1,0,0]=3 16895 B11R1.99 FCCCCNCCN1CC1 9d5507e34f718a7ca91abfa2ef5f50e6 [0,1,0,1,0,0|2,0,0]=4 16896 B11R1.99 FCCCCOCCC1CC1 05af069131b0e356905d6137a683e5e1 [0,1,0,1,0,0|0,0,0]=2 16897 B11R1.99 FCCCCOCCN1CC1 f8e0c3c95c04e9241a8c3eb4ef83fc3b [0,1,0,1,0,0|1,0,0]=3 16898 B11R1.99 FCCCNCCOC1CC1 eabcd32d650c8a1e0a4322d8838539a8 [0,1,0,1,0,0|2,0,0]=4 16899 B11R1.99 FCCCOC/C=C/C1CC1 a31ded1baa79ecdcd8d20b06fa3a1662 [0,1,0,1,0,0|1,0,1]=4 16900 B11R1.99 FCCCOCC#CC1CC1 f5c8d8409b2380a5407a41b4c7625898 [0,1,0,1,0,0|1,0,1]=4 16901 B11R1.99 FCCCOCCCC1CC1 34d8ec272f37323bf6207c037550ee47 [0,1,0,1,0,0|1,0,0]=3 16902 B11R1.99 FCCCOCCOC1CC1 f4de551bee491818a908fd100781ea27 [0,1,0,1,0,0|1,0,0]=3 16903 B11R1.99 FCCNCCSCC1CC1 8f005a404074f0186e220e341f42bb2b [0,1,0,1,0,0|1,1,0]=4 16904 B11R1.99 FCCOCCOCC1CC1 3dbc840505c96d806e4df1685bcf5bcd [0,1,0,1,0,0|1,0,0]=3 16905 B11R1.99 FCNCCCOCC1CC1 507c96d862cab4abf45487ea6913da12 [0,1,0,1,0,0|1,0,0]=3 16906 B11R1.99 N#CCCCCNCC1CC1 0ba687bc0a383c1e93a0255dc6fd6c91 [0,1,0,1,0,0|1,0,1]=4 16907 B11R1.99 N#CCCCCOCC1CC1 379849cc6704f617ed53df646011a934 [0,1,0,1,0,0|0,0,1]=3 16908 B11R1.99 N#CCCCNCCC1CC1 f8227f4c6801dd6c6afa9b11d2f4006c [0,1,0,1,0,0|1,0,1]=4 16909 B11R1.99 N#CCCCOCCC1CC1 8ed4d605787de35a094f0f18dae1d919 [0,1,0,1,0,0|0,0,1]=3 16910 B11R1.99 N#CCCCOCCN1CC1 55fa39462911e4e388fdf66dc5ca3769 [0,1,0,1,0,0|1,0,1]=4 16911 B11R1.99 N#CCCOCCCC1CC1 f6fb8203fd31a17d427eeca1c755d0cc [0,1,0,1,0,0|1,0,1]=4 16912 B11R1.99 N#CCCOCCOC1CC1 ea82f374fc64f4d0c90a5cc7cf72285f [0,1,0,1,0,0|1,0,1]=4 16913 B11R1.99 N#CCOCCOCC1CC1 60aa2c84bab6377ab6e5c7a05c79da12 [0,1,0,1,0,0|1,0,1]=4 16914 B11R1.99 NOCCCCNCC1CC1 ca13923d66c8576d9be36618ff064ae2 [0,1,0,1,0,0|2,0,0]=4 16915 B11R1.99 NOCCOCCNC1CC1 9b96e276e302f115a74ac9c530cbbae4 [0,1,0,1,0,0|2,0,0]=4 16916 B11R1.99 O=CCCCCNCC1CC1 8a7159759e7a680951102862f694ba7a [0,1,0,1,0,0|1,0,1]=4 16917 B11R1.99 O=CCCCCOCC1CC1 5dfb8973332ad15c4293ca5f84f3398f [0,1,0,1,0,0|0,0,1]=3 16918 B11R1.99 O=CCCCNCCC1CC1 81454f67832bb672ec66dd73c72c899d [0,1,0,1,0,0|1,0,1]=4 16919 B11R1.99 O=CCCCOCCC1CC1 13be509352e494d844c32fb98bb7d666 [0,1,0,1,0,0|0,0,1]=3 16920 B11R1.99 O=CCCCOCCN1CC1 d9fe4fd4a15e855f1b18f6cedd1468a2 [0,1,0,1,0,0|1,0,1]=4 16921 B11R1.99 O=CCCOCCCC1CC1 e5442f023a0a7b2495fa6bf815d0833e [0,1,0,1,0,0|1,0,1]=4 16922 B11R1.99 O=CCCOCCOC1CC1 227c970f46e5df28d3f854a64fa7bb7b [0,1,0,1,0,0|1,0,1]=4 16923 B11R1.99 O=CCOCCOCC1CC1 498c957d091f2ac06a3369ee84b6dec9 [0,1,0,1,0,0|1,0,1]=4 16924 B11R1.99 O=CNCCCOCC1CC1 c471cae8b439b344fcb444669d4f6939 [0,1,0,1,0,0|1,0,1]=4 16925 B11R1.99 O=CNCCOCCC1CC1 ffdfff3b7f1a73b8ac5aad931c9bc456 [0,1,0,1,0,0|1,0,1]=4 16926 B11R1.99 O=COCCOCCC1CC1 ef8eebd9df89ca781f6f33b52b95e117 [0,1,0,1,0,0|1,0,1]=4 16927 B11R1.99 OCCCCCCNC1CC1 0d1970ac99e9339481c8a0cf0b894a01 [0,1,0,1,0,0|2,0,0]=4 16928 B11R1.99 OCCCCCNCC1CC1 e5cd3e957103009dc20c2419554e43f0 [0,1,0,1,0,0|1,0,0]=3 16929 B11R1.99 OCCCCNCCC1CC1 3da49b01f3378b00997b4e889f8cde04 [0,1,0,1,0,0|1,0,0]=3 16930 B11R1.99 OCCCCNCCN1CC1 612741c92cdf77297b5eaf65ba8b49a2 [0,1,0,1,0,0|2,0,0]=4 16931 B11R1.99 OCCCNCCOC1CC1 04096c70b8d4f38866804ae78f81dcba [0,1,0,1,0,0|2,0,0]=4 16932 B11R1.99 OCCCOCCNC1CC1 6990d6aed6d2facf338d851649f89a23 [0,1,0,1,0,0|1,0,0]=3 16933 B11R1.99 OCCNCCSCC1CC1 67a00411acaafe138b39e15dffbbc404 [0,1,0,1,0,0|1,1,0]=4 16934 B11R1.99 OCCOCCNCC1CC1 cf68eb4b1b52a3affbe929b33bfe3435 [0,1,0,1,0,0|2,0,0]=4 16935 B11R1.99 OCCSCCNCC1CC1 1dcb08332b79a61f6f77983229736d58 [0,1,0,1,0,0|2,0,0]=4 16936 B11R1.99 OCNCCCOCC1CC1 9021ba10b33b6b973510c5b6cee3ef4a [0,1,0,1,0,0|1,0,0]=3 16937 B11R1.99 SCCCCCCOC1CC1 c396333ce190a43d96ebc0d4422c6350 [0,1,0,1,0,0|2,0,0]=4 16938 B11R1.99 SCCCCNCCC1CC1 ad24f94f7ee7470e933ba0fac6c0949f [0,1,0,1,0,0|1,0,0]=3 16939 B11R1.99 SCCCCOCCC1CC1 07abea48aae4b6effc9491c0b1114318 [0,1,0,1,0,0|0,0,0]=2 16940 B11R1.99 SCCCNCCOC1CC1 87b739ec6235944b0d289367195a931e [0,1,0,1,0,0|2,0,0]=4 16941 B11R1.99 SCCCOC/C=C/C1CC1 4e00210d958f54132a7fee0a39533c3a [0,1,0,1,0,0|1,0,1]=4 16942 B11R1.99 SCCCOCC#CC1CC1 12b53806b4d78127bb6c41ffe5a997e2 [0,1,0,1,0,0|1,0,1]=4 16943 B11R1.99 SCCCOCCCC1CC1 9918a26f937e2a92fd6b30622e0be073 [0,1,0,1,0,0|1,0,0]=3 16944 B11R1.99 SCCCOCCOC1CC1 2f266a0da0ef2d0edc451bfc21b94686 [0,1,0,1,0,0|1,0,0]=3 16945 B11R1.99 SCCNCCSCC1CC1 1c1c8d6ddd58d3d87b57ea134f6be2c1 [0,1,0,1,0,0|1,1,0]=4 16946 B11R1.99 SCCOCCNCC1CC1 81c01228699647a53629d6a9b43c6a64 [0,1,0,1,0,0|2,0,0]=4 16947 B11R1.99 SCCOCCOCC1CC1 5f327632eb18d27ecae906378fdb94db [0,1,0,1,0,0|1,0,0]=3 16948 B11R1.102 C/C(=C/COCC1CC1C)/I d500725be41719f5121c0c5cb2e073ea [0,1,0,1,0,0|0,0,2]=4 16949 B11R1.102 C/C(=C/COC[C@@H]1C[C@@H]1C)/I f6d1f56ebcf72a9cb58a393df25bdf7a [0,1,0,1,0,0|0,0,2]=4 16950 B11R1.102 C/C(=C/COC[C@@H]1C[C@H]1C)/I ad4b056f24398efa9834e47c7e10ee71 [0,1,0,1,0,0|0,0,2]=4 16951 B11R1.102 C/C(=C/COC[C@H]1C[C@@H]1C)/I b086e377762232a52e3f80922e10d1c5 [0,1,0,1,0,0|0,0,2]=4 16952 B11R1.102 C/C(=C\COCC1CC1C)/Cl 215d0e264c1405499e4c539f70dc21c0 [0,1,0,1,0,0|0,0,2]=4 16953 B11R1.102 C/C(=C\COC[C@@H]1C[C@@H]1C)/Cl 0ed85d5c00e1277233f3a67b2263e7b3 [0,1,0,1,0,0|0,0,2]=4 16954 B11R1.102 C/C(=C\COC[C@@H]1C[C@H]1C)/Cl 15ad3023d54f22e24cde8931e9694266 [0,1,0,1,0,0|0,0,2]=4 16955 B11R1.102 C/C(=C\COC[C@H]1C[C@@H]1C)/Cl d25e1c86b939501da8db8001c673fb94 [0,1,0,1,0,0|0,0,2]=4 16956 B11R1.102 C=C(C)CCCNC1CC1C 66339d48c38a610658fe451fa9f325cb [0,1,0,1,0,0|1,0,1]=4 16957 B11R1.102 C=C(C)CCOCC1CC1C 05fffd6f4c9a4225c1f451dd9ae68529 [0,1,0,1,0,0|0,0,1]=3 16958 B11R1.102 C=C(C)CCOC[C@@H]1C[C@@H]1C a52e821a34f4ab8e46c367af671a157b [0,1,0,1,0,0|0,0,1]=3 16959 B11R1.102 C=C(C)CCOC[C@@H]1C[C@@H]1F b05473a14e6b06f7131a44a17e073bdd [0,1,0,1,0,0|1,0,1]=4 16960 B11R1.102 C=C(C)CCOC[C@@H]1C[C@H]1C 856e3ae6b705c462e07781af7944c8b1 [0,1,0,1,0,0|0,0,1]=3 16961 B11R1.102 C=C(C)CCOC[C@@H]1C[C@H]1F 524e5d7f4d7dc9573555c4ea75089dd7 [0,1,0,1,0,0|1,0,1]=4 16962 B11R1.102 C=C(C)CCOC[C@H]1C[C@@H]1C 4debefd18f425d02c539ab330f7cb2a5 [0,1,0,1,0,0|0,0,1]=3 16963 B11R1.102 C=C(C)CCOC[C@H]1C[C@@H]1F d9fe15a03ab58c09a9612c392cd456aa [0,1,0,1,0,0|1,0,1]=4 16964 B11R1.102 C=C(C)CCOC[C@H]1C[C@H]1F 3f66ac477f86122e443f78c9961298ca [0,1,0,1,0,0|1,0,1]=4 16965 B11R1.102 C=C1CC1COCCC(C)C ca13f1cea15ce58235f92a4342139cef [0,1,0,1,0,0|0,0,2]=4 16966 B11R1.102 CC(=CCOCC1CC1C)C 61ff3deb3227741a583ad6d268dcdd66 [0,1,0,1,0,0|0,0,2]=4 16967 B11R1.102 CC(=CCOCC1CC1C)Cl 303a59d04574853f406bb6f312f1788d [0,1,0,1,0,0|0,0,2]=4 16968 B11R1.102 CC(=CCOCC1CC1C)I 6b923b0bdfb8298bcc0080392c019481 [0,1,0,1,0,0|0,0,2]=4 16969 B11R1.102 CC(=CCOC[C@@H]1C[C@@H]1C)C a33e2d2e4171355515021df010df8b55 [0,1,0,1,0,0|0,0,2]=4 16970 B11R1.102 CC(=CCOC[C@@H]1C[C@@H]1C)Cl 652a93ceb532e742046e416cd2429c3a [0,1,0,1,0,0|0,0,2]=4 16971 B11R1.102 CC(=CCOC[C@@H]1C[C@@H]1C)I db85ecf2e4920e32d3e64a678701b5e3 [0,1,0,1,0,0|0,0,2]=4 16972 B11R1.102 CC(=CCOC[C@@H]1C[C@H]1C)C ca3068d0c5d0d6a42457a9b49e67e01e [0,1,0,1,0,0|0,0,2]=4 16973 B11R1.102 CC(=CCOC[C@@H]1C[C@H]1C)Cl c4d52ee783c979159f4da6a7a9efcc5e [0,1,0,1,0,0|0,0,2]=4 16974 B11R1.102 CC(=CCOC[C@@H]1C[C@H]1C)I 7a34b3a0bb6af2e1d3ef237ee82cd555 [0,1,0,1,0,0|0,0,2]=4 16975 B11R1.102 CC(=CCOC[C@H]1C[C@@H]1C)C a5053efd5e289459eec37c5dd6bfa0d1 [0,1,0,1,0,0|0,0,2]=4 16976 B11R1.102 CC(=CCOC[C@H]1C[C@@H]1C)Cl 8cff24944e1e764dcce571c8b618ef1c [0,1,0,1,0,0|0,0,2]=4 16977 B11R1.102 CC(=CCOC[C@H]1C[C@@H]1C)I 2d3113a65859da20d5b5621208fafe2a [0,1,0,1,0,0|0,0,2]=4 16978 B11R1.102 CC(=O)CCCNC1CC1C 0670fe2bddcd2938a45ee49893d3d27a [0,1,0,1,0,0|1,0,1]=4 16979 B11R1.102 CC(=O)CCOCC1CC1C f9350af0e4e840a06002445ec930aba7 [0,1,0,1,0,0|0,0,1]=3 16980 B11R1.102 CC(=O)CCOC[C@@H]1C[C@@H]1C 77d77b31202dc6950f336ea588c9adf8 [0,1,0,1,0,0|0,0,1]=3 16981 B11R1.102 CC(=O)CCOC[C@@H]1C[C@@H]1F c0633efa748574ad7e7ef11b606f7614 [0,1,0,1,0,0|1,0,1]=4 16982 B11R1.102 CC(=O)CCOC[C@@H]1C[C@H]1C 70b2d7758f1bf3bb001c97fc6fa8b800 [0,1,0,1,0,0|0,0,1]=3 16983 B11R1.102 CC(=O)CCOC[C@@H]1C[C@H]1F d0b4ef49843082e37720cd77fbc37149 [0,1,0,1,0,0|1,0,1]=4 16984 B11R1.102 CC(=O)CCOC[C@H]1C[C@@H]1C d9cdfc5465f50206efe8548e9d726b9a [0,1,0,1,0,0|0,0,1]=3 16985 B11R1.102 CC(=O)CCOC[C@H]1C[C@@H]1F 32dc54c408613ca9434966d7f06fd535 [0,1,0,1,0,0|1,0,1]=4 16986 B11R1.102 CC(=O)CCOC[C@H]1C[C@H]1F c0213f033bb2ad6354ddbbf424fe7271 [0,1,0,1,0,0|1,0,1]=4 16987 B11R1.102 CC(=O)OCOCC1CC1C 633e36b079d8ceb075293921a12ba113 [0,1,0,1,0,0|1,0,1]=4 16988 B11R1.102 CC(=O)OCOC[C@@H]1C[C@@H]1C 32bc356e19843cee45a65ca195daf236 [0,1,0,1,0,0|1,0,1]=4 16989 B11R1.102 CC(=O)OCOC[C@@H]1C[C@H]1C d544375dd48561fa63e8f439c5f3a153 [0,1,0,1,0,0|1,0,1]=4 16990 B11R1.102 CC(=O)OCOC[C@H]1C[C@@H]1C 05737e157b2ffe2c4a8393ffe87d216f [0,1,0,1,0,0|1,0,1]=4 16991 B11R1.102 CC(C)CCCNC1CC1C 16c09e3e2fecba50a31cc2d2830bd456 [0,1,0,1,0,0|1,0,0]=3 16992 B11R1.102 CC(C)CCCN[C@@H]1C[C@H]1F fb294f6576af7523d3e5bad635fec993 [0,1,0,1,0,0|2,0,0]=4 16993 B11R1.102 CC(C)CCCN[C@H]1C[C@@H]1F 97d75808cceb32b3ab443b12652b04e4 [0,1,0,1,0,0|2,0,0]=4 16994 B11R1.102 CC(C)CCCN[C@H]1C[C@H]1F ef32cbd7b3cd5e9a8671d31c9fe53af1 [0,1,0,1,0,0|2,0,0]=4 16995 B11R1.102 CC(C)CCOCC1CC1C 290a686bdca9e3f344b1900f73e82312 [0,1,0,1,0,0|0,0,0]=2 16996 B11R1.102 CC(C)CCOC[C@@H]1C[C@@H]1C d5979f6155bb279a84ccf61371468aca [0,1,0,1,0,0|0,0,0]=2 16997 B11R1.102 CC(C)CCOC[C@@H]1C[C@@H]1F 7460dbe799ac89203a9f23b2bfda19be [0,1,0,1,0,0|1,0,0]=3 16998 B11R1.102 CC(C)CCOC[C@@H]1C[C@H]1C 3e213b1ae95fea160b776b18da43bd30 [0,1,0,1,0,0|0,0,0]=2 16999 B11R1.102 CC(C)CCOC[C@@H]1C[C@H]1F 1c01f271b7b09dae853128f4166e823d [0,1,0,1,0,0|1,0,0]=3 17000 B11R1.102 CC(C)CCOC[C@H]1C[C@@H]1C 93a2d70b2c7f8588f191770c067c0db9 [0,1,0,1,0,0|0,0,0]=2 17001 B11R1.102 CC(C)CCOC[C@H]1C[C@@H]1F 9ae9d3a94d66ec710b2fa0ba368c32d6 [0,1,0,1,0,0|1,0,0]=3 17002 B11R1.102 CC(C)CCOC[C@H]1C[C@H]1F 80e5c91c2312a7e2362def7ae509a5e8 [0,1,0,1,0,0|1,0,0]=3 17003 B11R1.102 CC(C)OCCNC1CC1C 43b44fe7f2fa374c76beedd4a261df30 [0,1,0,1,0,0|2,0,0]=4 17004 B11R1.102 CC(C)OCOCC1CC1C 5c75941541f523af00970c0d1be26dd4 [0,1,0,1,0,0|1,0,0]=3 17005 B11R1.102 CC(C)OCOC[C@@H]1C[C@@H]1C 69c9581482a35d739f7ce227513c5af3 [0,1,0,1,0,0|1,0,0]=3 17006 B11R1.102 CC(C)OCOC[C@@H]1C[C@@H]1F 66cf1fe5c36a8e7753ac4848ca35fa20 [0,1,0,1,0,0|2,0,0]=4 17007 B11R1.102 CC(C)OCOC[C@@H]1C[C@H]1C 3b115859e3012207ea54b93401a54fa8 [0,1,0,1,0,0|1,0,0]=3 17008 B11R1.102 CC(C)OCOC[C@@H]1C[C@H]1F e676a642bdf3c88f1e0b4671c4755147 [0,1,0,1,0,0|2,0,0]=4 17009 B11R1.102 CC(C)OCOC[C@H]1C[C@@H]1C ae37b737ac218ff24de65e0a2bc09930 [0,1,0,1,0,0|1,0,0]=3 17010 B11R1.102 CC(C)OCOC[C@H]1C[C@@H]1F 0d8f2cef3e9d55224cea7bf91c8d9f74 [0,1,0,1,0,0|2,0,0]=4 17011 B11R1.102 CC(C)OCOC[C@H]1C[C@H]1F 3bc5fda69dc9ac508cd8313572e28fb3 [0,1,0,1,0,0|2,0,0]=4 17012 B11R1.102 CC(C)SCCNC1CC1C 0fcc6a1da5c916400b6d8793c1e958d2 [0,1,0,1,0,0|2,0,0]=4 17013 B11R1.102 CC(O)CCCNC1CC1C da46f5a577c985a8aab6993bf8d404d7 [0,1,0,1,0,0|1,0,0]=3 17014 B11R1.102 CC(O)CCCN[C@@H]1C[C@H]1F 01d75b63b81ec6728fc03bd4ceac841b [0,1,0,1,0,0|2,0,0]=4 17015 B11R1.102 CC(O)CCCN[C@H]1C[C@@H]1F 3e0e18502c6a187e4302f066e49b4f12 [0,1,0,1,0,0|2,0,0]=4 17016 B11R1.102 CC(O)CCCN[C@H]1C[C@H]1F 065319442b800ebc5b4178b5582a9097 [0,1,0,1,0,0|2,0,0]=4 17017 B11R1.102 CC1CC1COCCC(=O)N 3d773e19e986a55104ea7cc08aa0ffb8 [0,1,0,1,0,0|1,0,1]=4 17018 B11R1.102 CC1CC1COCCC(=O)O 773712793f8aef5614fac0ce57ff0614 [0,1,0,1,0,0|1,0,1]=4 17019 B11R1.102 CC1CC1COCCN(C)C e75c1f555dfe9ec7c614c005c40ba63a [0,1,0,1,0,0|1,0,0]=3 17020 B11R1.102 CC1CC1COCCS(=O)C 40a8f8c94a721d5aef7c38d99277fcdc [0,1,0,1,0,0|1,0,0]=3 17021 B11R1.102 CC1CC1NCCCN(C)C 73200436d18137b87722882b7b8b9589 [0,1,0,1,0,0|2,0,0]=4 17022 B11R1.102 CN(C)CCOC[C@@H]1C[C@@H]1F 3436684a527272de7f0170f944d54a1d [0,1,0,1,0,0|2,0,0]=4 17023 B11R1.102 CN(C)CCOC[C@@H]1C[C@H]1F 2fb6265b15bb8cf380812dc856d4aef5 [0,1,0,1,0,0|2,0,0]=4 17024 B11R1.102 CN(C)CCOC[C@H]1C[C@@H]1F 6fadc44811665d141bb030fa8087ee5a [0,1,0,1,0,0|2,0,0]=4 17025 B11R1.102 CN(C)CCOC[C@H]1C[C@H]1F 5354af51d5e19e36e64d8b11d94b2e00 [0,1,0,1,0,0|2,0,0]=4 17026 B11R1.102 CS(=O)CCOC[C@@H]1C[C@@H]1F 41dd96d27f0d776b00dfcac38650750b [0,1,0,1,0,0|2,0,0]=4 17027 B11R1.102 CS(=O)CCOC[C@@H]1C[C@H]1F 44f6c9b0217ec453f6324cb90891089f [0,1,0,1,0,0|2,0,0]=4 17028 B11R1.102 CS(=O)CCOC[C@H]1C[C@@H]1F 5e863485e1022ba69619dc57f363dcec [0,1,0,1,0,0|2,0,0]=4 17029 B11R1.102 CS(=O)CCOC[C@H]1C[C@H]1F c2034227d7cfcb73e2ea8a979fd0c118 [0,1,0,1,0,0|2,0,0]=4 17030 B11R1.102 C[C@@H]1C[C@H]1COCCC(=O)N 8d92f33ff218082cebab11c010e1157d [0,1,0,1,0,0|1,0,1]=4 17031 B11R1.102 C[C@@H]1C[C@H]1COCCC(=O)O b04546ed4019019678c03576307d9df4 [0,1,0,1,0,0|1,0,1]=4 17032 B11R1.102 C[C@@H]1C[C@H]1COCCN(C)C a6d6b0e8210be44ab2b11b139d0faff3 [0,1,0,1,0,0|1,0,0]=3 17033 B11R1.102 C[C@@H]1C[C@H]1COCCS(=O)C 5cd81022add26e722ec32b5a2dd14c5d [0,1,0,1,0,0|1,0,0]=3 17034 B11R1.102 C[C@H]1C[C@@H]1COCCC(=O)N 203d6c1bf3d8df4bc22f7cf65b4d93d4 [0,1,0,1,0,0|1,0,1]=4 17035 B11R1.102 C[C@H]1C[C@@H]1COCCC(=O)O 8d43531bace86502c95a01dd267efeb3 [0,1,0,1,0,0|1,0,1]=4 17036 B11R1.102 C[C@H]1C[C@@H]1COCCN(C)C 1874c603e399e57e332fd020f7fe55a2 [0,1,0,1,0,0|1,0,0]=3 17037 B11R1.102 C[C@H]1C[C@@H]1COCCS(=O)C d84f603a1389e4b93c99aa86392096b9 [0,1,0,1,0,0|1,0,0]=3 17038 B11R1.102 C[C@H]1C[C@H]1COCCC(=O)N 96bcfa5558b597c2fae8c26daeb658f9 [0,1,0,1,0,0|1,0,1]=4 17039 B11R1.102 C[C@H]1C[C@H]1COCCC(=O)O 45bb13f4739bfb28c1dc01c4211d6306 [0,1,0,1,0,0|1,0,1]=4 17040 B11R1.102 C[C@H]1C[C@H]1COCCN(C)C b98ed668f02ab9c6912a9409743d9913 [0,1,0,1,0,0|1,0,0]=3 17041 B11R1.102 C[C@H]1C[C@H]1COCCS(=O)C 19b201a1e88cb7aff3cbaebf4b3642e5 [0,1,0,1,0,0|1,0,0]=3 17042 B11R1.143 CC(=O)N1CCOCCC1C 65c4a5578f87afa21dde7df10cc6e019 [0,1,0,1,0,0|1,0,1]=4 17043 B11R1.143 CC(C)N1CCCCCC1C 5c65f7aa5203c8fc287e05018e5e69d0 [0,1,0,1,0,0|2,0,0]=4 17044 B11R1.143 CC(C)N1CCOCCC1C 2b3d6855f76f908cf7157ebcac7d2b2c [0,1,0,1,0,0|1,0,0]=3 17045 B11R1.143 CC(C)N1CCSCCC1C 63acf2ec600fb1cc8be191b704c80962 [0,1,0,1,0,0|1,1,0]=4 17046 B11R1.161 C=C(C)CCN[C@@H]1CC[C@H]1C 7d80ec287e79aa85f111cfca8395ee11 [0,1,0,1,0,0|1,0,1]=4 17047 B11R1.161 C=C(C)CCN[C@H]1CC[C@H]1C a6b3478466940509abd22de9544b120a [0,1,0,1,0,0|1,0,1]=4 17048 B11R1.161 C=C(C)CCOC1COC1C 57edffb295f3b2002259e0430c5d06b7 [0,1,0,1,0,0|1,0,1]=4 17049 B11R1.161 CC(=O)CCN[C@@H]1CC[C@H]1C a6a16483cd313a8fc3617f90b4b7eb46 [0,1,0,1,0,0|1,0,1]=4 17050 B11R1.161 CC(=O)CCN[C@H]1CC[C@H]1C 5d10220899885912bf3dc0c5177eed6e [0,1,0,1,0,0|1,0,1]=4 17051 B11R1.161 CC(=O)CCOC1COC1C dc7135022ee7e1f7329f47f19358056e [0,1,0,1,0,0|1,0,1]=4 17052 B11R1.161 CC(C)CCNC1CCC1F 0a87e2628a84638838a8065ed5ebaf84 [0,1,0,1,0,0|2,0,0]=4 17053 B11R1.161 CC(C)CCNC1CCC1O ee843e4df8425b71ce1926ec01443cc8 [0,1,0,1,0,0|2,0,0]=4 17054 B11R1.161 CC(C)CCNC1COC1C 478452accd26414b8d211ebc342a98ee [0,1,0,1,0,0|2,0,0]=4 17055 B11R1.161 CC(C)CCN[C@@H]1CC[C@@H]1O 8cbcb7bf550805032d8cd96bd04e0611 [0,1,0,1,0,0|2,0,0]=4 17056 B11R1.161 CC(C)CCN[C@@H]1CC[C@H]1C e06433d3a9e591bd5decd43b4d138a5a [0,1,0,1,0,0|1,0,0]=3 17057 B11R1.161 CC(C)CCN[C@@H]1CC[C@H]1O 5e7dbf8f37a27f3fcab69d0e494e9956 [0,1,0,1,0,0|2,0,0]=4 17058 B11R1.161 CC(C)CCN[C@H]1CC[C@@H]1O 214d8ec62bf9a375f6d31ca1cb2403ce [0,1,0,1,0,0|2,0,0]=4 17059 B11R1.161 CC(C)CCN[C@H]1CC[C@H]1C b2e021fd813a13ad9411e76335922743 [0,1,0,1,0,0|1,0,0]=3 17060 B11R1.161 CC(C)CCN[C@H]1CC[C@H]1O 2aec1d4ca6303476c483facf95935ac5 [0,1,0,1,0,0|2,0,0]=4 17061 B11R1.161 CC(C)CCOC1CCC1=O 5fbd5a1fbdcf9b836eff718438a6aa7f [0,1,0,1,0,0|1,0,1]=4 17062 B11R1.161 CC(C)CCOC1COC1C 6df1f3f8de21fb6c2f4070bfea9e952c [0,1,0,1,0,0|1,0,0]=3 17063 B11R1.161 CC(C)OCN[C@@H]1CC[C@H]1C 36cd7049e34f029966ab104c23968df2 [0,1,0,1,0,0|2,0,0]=4 17064 B11R1.161 CC(C)OCN[C@H]1CC[C@H]1C 9b20d511f58285b9d356873cfb47862a [0,1,0,1,0,0|2,0,0]=4 17065 B11R1.161 CC(C)OCOC1COC1C cc8facd71f863e59607c0430e247bb80 [0,1,0,1,0,0|2,0,0]=4 17066 B11R1.161 CC(O)CCNC1CCC1F b8a17e77b0990cd65061bb4a736823c3 [0,1,0,1,0,0|2,0,0]=4 17067 B11R1.161 CC(O)CCNC1CCC1O a89948ec8d5e5ff09f668fed5034b6e6 [0,1,0,1,0,0|2,0,0]=4 17068 B11R1.161 CC(O)CCNC1COC1C 2c8008997bf2f8bed34e87a76857621c [0,1,0,1,0,0|2,0,0]=4 17069 B11R1.161 CC(O)CCN[C@@H]1CC[C@@H]1O 00bf754af5b9058c99d12a0abea502a9 [0,1,0,1,0,0|2,0,0]=4 17070 B11R1.161 CC(O)CCN[C@@H]1CC[C@H]1C bda83bfb292724c512b5930ecbc94b90 [0,1,0,1,0,0|1,0,0]=3 17071 B11R1.161 CC(O)CCN[C@@H]1CC[C@H]1O 96576f93a39cf7183a02399da8f8331d [0,1,0,1,0,0|2,0,0]=4 17072 B11R1.161 CC(O)CCN[C@H]1CC[C@@H]1O a5d1d6063baf09c378a1d18603bd93ff [0,1,0,1,0,0|2,0,0]=4 17073 B11R1.161 CC(O)CCN[C@H]1CC[C@H]1C b5e11edf941a1be25bfd75536917ad92 [0,1,0,1,0,0|1,0,0]=3 17074 B11R1.161 CC(O)CCN[C@H]1CC[C@H]1O 189f4855f342c9d416acf74ae183095b [0,1,0,1,0,0|2,0,0]=4 17075 B11R1.161 CC1OCC1OCCN(C)C 936f7afe00828ffb46d0322546816059 [0,1,0,1,0,0|2,0,0]=4 17076 B11R1.161 CC1OCC1OCCS(=O)C 7e69e5508419ce753cd065f322e4bbd7 [0,1,0,1,0,0|2,0,0]=4 17077 B11R1.161 C[C@@H]1CC[C@@H]1NCCN(C)C 4fb0276ad3e4474f3d680d721e63edff [0,1,0,1,0,0|2,0,0]=4 17078 B11R1.161 C[C@@H]1CC[C@@H]1NCCS(=O)C 1bfa9cf39fe24425d66adbed7ee2f447 [0,1,0,1,0,0|2,0,0]=4 17079 B11R1.161 C[C@@H]1CC[C@H]1NCCN(C)C 34eed2bd172eb507332bd01be2e468b1 [0,1,0,1,0,0|2,0,0]=4 17080 B11R1.161 C[C@@H]1CC[C@H]1NCCS(=O)C 27e756b5790d1843925688f5de3f6adf [0,1,0,1,0,0|2,0,0]=4 17081 B11R1.172 C/C(=C/COC1CCCC1)/Cl a643fe04c5959aa30df0799b31e871d2 [0,1,0,1,0,0|0,0,2]=4 17082 B11R1.172 C/C(=C/COC1CCCC1)/I 54460a5070ffe06af5163453da17177f [0,1,0,1,0,0|0,0,2]=4 17083 B11R1.172 C/C(=C\COC1CCCC1)/Cl 7b9fb4d65e13f79910f09f7737dc0355 [0,1,0,1,0,0|0,0,2]=4 17084 B11R1.172 C=C(Br)CCOC1CCCC1 4504f6831c323e3f90f6f930cb3ca9bd [0,1,0,1,0,0|0,0,2]=4 17085 B11R1.172 C=C(C)CCNC1CCCC1 76d89e29037dec98642f691a42b5ce19 [0,1,0,1,0,0|1,0,1]=4 17086 B11R1.172 C=C(C)CCOC1CCCC1 08b2fb4a07a2e567832257c49a85359f [0,1,0,1,0,0|0,0,1]=3 17087 B11R1.172 C=C(C)CCOC1CCCO1 561d26b8cb8be6e1c5bbe4725afd537a [0,1,0,1,0,0|1,0,1]=4 17088 B11R1.172 C=C(C)CCOC1CCOC1 ad5c979e994d9b25ed54f14e2b459caf [0,1,0,1,0,0|1,0,1]=4 17089 B11R1.172 C=C(C)CCOC1CCSC1 5043841eb6d32128efe0ba7799e58d0e [0,1,0,1,0,0|1,0,1]=4 17090 B11R1.172 C=C(C)CCO[C@@H]1CCOC1 2d928a2ac85f11726a4b51d85623b05d [0,1,0,1,0,0|1,0,1]=4 17091 B11R1.172 C=C(C)CCO[C@@H]1CCSC1 f16ad5b3a573e68d08bff0d3d976368b [0,1,0,1,0,0|1,0,1]=4 17092 B11R1.172 C=C(C)CCO[C@H]1CCOC1 862f83fb4453ec00281b147670b5eb8a [0,1,0,1,0,0|1,0,1]=4 17093 B11R1.172 C=C(C)CCO[C@H]1CCSC1 2965bc96c24001d62cd0a6c79a64725b [0,1,0,1,0,0|1,0,1]=4 17094 B11R1.172 CC(=CCOC1CCCC1)C 09b50d1494e1558b66ccb4b5702bbc09 [0,1,0,1,0,0|0,0,2]=4 17095 B11R1.172 CC(=CCOC1CCCC1)Cl 094d5358b96fd1f2d6310e74d49f4e79 [0,1,0,1,0,0|0,0,2]=4 17096 B11R1.172 CC(=CCOC1CCCC1)I de119cebbd9a6dfcc75e91e6b6b925cc [0,1,0,1,0,0|0,0,2]=4 17097 B11R1.172 CC(=O)CCNC1CCCC1 12a1fa790ce310ff827d382b823d687e [0,1,0,1,0,0|1,0,1]=4 17098 B11R1.172 CC(=O)CCOC1CCCC1 b85de27e387a2e6432a9ebd23d0fde69 [0,1,0,1,0,0|0,0,1]=3 17099 B11R1.172 CC(=O)CCOC1CCCO1 cd1aa6056a70ffdcc35e76acd50f5796 [0,1,0,1,0,0|1,0,1]=4 17100 B11R1.172 CC(=O)CCOC1CCOC1 d367a62e5f2c4007a241d1c02e67187f [0,1,0,1,0,0|1,0,1]=4 17101 B11R1.172 CC(=O)CCOC1CCSC1 014bec54ab0017ca92385c60a6018b02 [0,1,0,1,0,0|1,0,1]=4 17102 B11R1.172 CC(=O)CCO[C@@H]1CCOC1 05c33e4b022ac87a125adb4058d5e74d [0,1,0,1,0,0|1,0,1]=4 17103 B11R1.172 CC(=O)CCO[C@@H]1CCSC1 aeccf17dd7dfc18affc8001e0c27bcde [0,1,0,1,0,0|1,0,1]=4 17104 B11R1.172 CC(=O)CCO[C@H]1CCOC1 64144058609623a3d552e78e3e1fd099 [0,1,0,1,0,0|1,0,1]=4 17105 B11R1.172 CC(=O)CCO[C@H]1CCSC1 913c9295da5d67af79a61f8c3820a935 [0,1,0,1,0,0|1,0,1]=4 17106 B11R1.172 CC(=O)NCOC1CCCC1 1360806bf33057533614617026ee6e20 [0,1,0,1,0,0|1,0,1]=4 17107 B11R1.172 CC(=O)OCOC1CCCC1 c9c3352279f6268f1e73b5549a8db426 [0,1,0,1,0,0|1,0,1]=4 17108 B11R1.172 CC(C)CCCN1CCSC1 6ed7aa65c0e0e86aa5c08dd7701c502c [0,1,0,1,0,0|2,0,0]=4 17109 B11R1.172 CC(C)CCNC1CCCC1 dfcd7e6b60b22ea15f28ca5d27824949 [0,1,0,1,0,0|1,0,0]=3 17110 B11R1.172 CC(C)CCNC1CCOC1 226a06f8787b33ca8cb893245ebf1849 [0,1,0,1,0,0|2,0,0]=4 17111 B11R1.172 CC(C)CCNC1CCSC1 1015e633c21ac44e61c4d4b9318f4eab [0,1,0,1,0,0|2,0,0]=4 17112 B11R1.172 CC(C)CCN[C@@H]1CCOC1 bba3ff52222058a3255e8def5e664aa6 [0,1,0,1,0,0|2,0,0]=4 17113 B11R1.172 CC(C)CCN[C@H]1CCOC1 576d6520f44962e71c7330944f6c0cee [0,1,0,1,0,0|2,0,0]=4 17114 B11R1.172 CC(C)CCOC1C=CCC1 8ce2501be0487e0f725462b080c994a7 [0,1,0,1,0,0|0,0,2]=4 17115 B11R1.172 CC(C)CCOC1CC=CC1 ce3ebb94e7929aa8ef29f8725012681e [0,1,0,1,0,0|0,0,2]=4 17116 B11R1.172 CC(C)CCOC1CCCC1 cc9eb0b7726c3f7f3a4dc04c99338791 [0,1,0,1,0,0|0,0,0]=2 17117 B11R1.172 CC(C)CCOC1CCCO1 1f9fe8272dbf8e944cc7dd642bc82dff [0,1,0,1,0,0|1,0,0]=3 17118 B11R1.172 CC(C)CCOC1CCOC1 a842f1de436d7310b6be6f016dbe7cd6 [0,1,0,1,0,0|1,0,0]=3 17119 B11R1.172 CC(C)CCOC1CCSC1 b5ece22fb620b8fd9f2ff375b32c5a4b [0,1,0,1,0,0|1,0,0]=3 17120 B11R1.172 CC(C)CCO[C@@H]1CCOC1 6c8fb7ff64408d4da9d494c19929ee79 [0,1,0,1,0,0|1,0,0]=3 17121 B11R1.172 CC(C)CCO[C@@H]1CCSC1 d841ce90cf99b31e2be7dfb9639d7743 [0,1,0,1,0,0|1,0,0]=3 17122 B11R1.172 CC(C)CCO[C@H]1CCOC1 0f83d85a482be0bf741bd9d00fb24aad [0,1,0,1,0,0|1,0,0]=3 17123 B11R1.172 CC(C)CCO[C@H]1CCSC1 2b35826e00bbb934ba132bcba252f903 [0,1,0,1,0,0|1,0,0]=3 17124 B11R1.172 CC(C)CNCC1CCCC1 b53484b3a7f0075048ea2b9afd67dee9 [0,1,0,1,0,0|2,0,0]=4 17125 B11R1.172 CC(C)COCC1CCCC1 a4568b2e8bf0af295d42d4309f6c7194 [0,1,0,1,0,0|2,0,0]=4 17126 B11R1.172 CC(C)COCN1CCCC1 9f2961bd102b593e7b758da3a63ceaa5 [0,1,0,1,0,0|2,0,0]=4 17127 B11R1.172 CC(C)NCCC1CCCC1 76802b69db9a853dd1a79326b431d279 [0,1,0,1,0,0|2,0,0]=4 17128 B11R1.172 CC(C)NCCN1CCCC1 4a2d6b81302c64f0fe03bc74cedddf89 [0,1,0,1,0,0|2,0,0]=4 17129 B11R1.172 CC(C)OCCC1CCCC1 cf29d28ee6383da47a2cd2b15f42c3d5 [0,1,0,1,0,0|2,0,0]=4 17130 B11R1.172 CC(C)OCCN1CCCC1 b6df01779c8bc1cf6728a94f33e2daee [0,1,0,1,0,0|2,0,0]=4 17131 B11R1.172 CC(C)OCNC1CCCC1 1b23655bc8475bda46f36a2d916a1a1d [0,1,0,1,0,0|2,0,0]=4 17132 B11R1.172 CC(C)OCOC1CCCC1 d71bac0110fe3392bc4a4c570d22770b [0,1,0,1,0,0|1,0,0]=3 17133 B11R1.172 CC(C)OCOC1CCCO1 6f28bfb76a3d3041dadbd8bff8a3334e [0,1,0,1,0,0|2,0,0]=4 17134 B11R1.172 CC(C)OCOC1CCOC1 b0ba3df1f3597eb77f2f5d3f8c5a1895 [0,1,0,1,0,0|2,0,0]=4 17135 B11R1.172 CC(C)OCOC1CCSC1 8de2faf3abc012b3cfcab9433614ca96 [0,1,0,1,0,0|2,0,0]=4 17136 B11R1.172 CC(C)OCO[C@@H]1CCOC1 34a845e88116f368c780af78cf1faa1d [0,1,0,1,0,0|2,0,0]=4 17137 B11R1.172 CC(C)OCO[C@@H]1CCSC1 e5daf0cfcefeb3bd1eefe69b3da563d1 [0,1,0,1,0,0|2,0,0]=4 17138 B11R1.172 CC(C)OCO[C@H]1CCOC1 5be8208737813559306d143b143f6337 [0,1,0,1,0,0|2,0,0]=4 17139 B11R1.172 CC(C)OCO[C@H]1CCSC1 1ada7a5903a5367cab83f36335b72006 [0,1,0,1,0,0|2,0,0]=4 17140 B11R1.172 CC(F)COCC1CCCC1 dcb6fb80664e4ade78bd17c5ebf20ed5 [0,1,0,1,0,0|2,0,0]=4 17141 B11R1.172 CC(O)CCCN1CCSC1 ca1076f42f354491876da17a72bf8c80 [0,1,0,1,0,0|2,0,0]=4 17142 B11R1.172 CC(O)CCNC1CCCC1 afc76907d0b9e80cce600d96be08fffb [0,1,0,1,0,0|1,0,0]=3 17143 B11R1.172 CC(O)CCNC1CCOC1 b7cf1e185135368534717fde8c635d24 [0,1,0,1,0,0|2,0,0]=4 17144 B11R1.172 CC(O)CCNC1CCSC1 eca09cf1c8279f747ffa30618891be9b [0,1,0,1,0,0|2,0,0]=4 17145 B11R1.172 CC(O)CCN[C@@H]1CCOC1 823195bc0d7fa78517ae8d3baabf72c2 [0,1,0,1,0,0|2,0,0]=4 17146 B11R1.172 CC(O)CCN[C@H]1CCOC1 eedf8adb56198621bb4981829d176f62 [0,1,0,1,0,0|2,0,0]=4 17147 B11R1.172 CC(O)CNCC1CCCC1 93c08beebf5ce5a94ae43f93dd99f843 [0,1,0,1,0,0|2,0,0]=4 17148 B11R1.172 CC(S)COCC1CCCC1 e420e20ebb4cd17abe651606ab660b4a [0,1,0,1,0,0|2,0,0]=4 17149 B11R1.172 CN(C)CCNC1CCCC1 6898aaa118c9b2bd25656a3703db2e1f [0,1,0,1,0,0|2,0,0]=4 17150 B11R1.172 CN(C)CCOC1CCCC1 7c4c3a6b69cadd58dc449417d7779808 [0,1,0,1,0,0|1,0,0]=3 17151 B11R1.172 CN(C)CCOC1CCCO1 2c31c7939ed169a24a175bd20c0abd60 [0,1,0,1,0,0|2,0,0]=4 17152 B11R1.172 CN(C)CCOC1CCOC1 65f7c3bf1b57460272412030515e5820 [0,1,0,1,0,0|2,0,0]=4 17153 B11R1.172 CN(C)CCOC1CCSC1 96bbb223f8bedd3c6bf21f304b601f46 [0,1,0,1,0,0|2,0,0]=4 17154 B11R1.172 CN(C)CCO[C@@H]1CCOC1 33cb943ef1907222e870d2b25703b78d [0,1,0,1,0,0|2,0,0]=4 17155 B11R1.172 CN(C)CCO[C@@H]1CCSC1 72424e1a5c8e6d8c96b38bfd30d7535e [0,1,0,1,0,0|2,0,0]=4 17156 B11R1.172 CN(C)CCO[C@H]1CCOC1 4f46c6c376c3a8f38081ad57cec8f381 [0,1,0,1,0,0|2,0,0]=4 17157 B11R1.172 CN(C)CCO[C@H]1CCSC1 2a0c5a9b88f13cf2896d1296f40eb74a [0,1,0,1,0,0|2,0,0]=4 17158 B11R1.172 CS(=O)CCNC1CCCC1 a271bb58bda18bfed77d757eb7683077 [0,1,0,1,0,0|2,0,0]=4 17159 B11R1.172 CS(=O)CCOC1CCCC1 53d3cc504b1e4fefc9dd8fe83d165984 [0,1,0,1,0,0|1,0,0]=3 17160 B11R1.172 CS(=O)CCOC1CCCO1 07ba37468b4cf738f7ea0d88cf5079b8 [0,1,0,1,0,0|2,0,0]=4 17161 B11R1.172 CS(=O)CCOC1CCOC1 9b03bead55905a6f93125bb65d9d4108 [0,1,0,1,0,0|2,0,0]=4 17162 B11R1.172 CS(=O)CCOC1CCSC1 a3d9d4dee052930ccf97dc0ad6f753cf [0,1,0,1,0,0|2,0,0]=4 17163 B11R1.172 CS(=O)CCO[C@@H]1CCOC1 9d407030c19d484a439fb9df0a25769c [0,1,0,1,0,0|2,0,0]=4 17164 B11R1.172 CS(=O)CCO[C@@H]1CCSC1 e115e75cd7685c72e14f87898fb30c8c [0,1,0,1,0,0|2,0,0]=4 17165 B11R1.172 CS(=O)CCO[C@H]1CCOC1 4c5bdca8b57be99fceb5bd4883e25c9e [0,1,0,1,0,0|2,0,0]=4 17166 B11R1.172 CS(=O)CCO[C@H]1CCSC1 07df3a898d5263f9532644fb419886ef [0,1,0,1,0,0|2,0,0]=4 17167 B11R1.172 C[C@@H](F)COCC1CCCC1 ef04540a3052c1c3b1e04a0342b97fb5 [0,1,0,1,0,0|2,0,0]=4 17168 B11R1.172 C[C@@H](O)CCNC1CCCC1 01a08df4278ae56f9ce81ecb085cb36a [0,1,0,1,0,0|1,0,0]=3 17169 B11R1.172 C[C@@H](O)CCNC1CCOC1 14302e16d17e6b84d5724db6aa44b53a [0,1,0,1,0,0|2,0,0]=4 17170 B11R1.172 C[C@@H](O)CCN[C@@H]1CCOC1 a9edc11c70727cef3b9ae94e830312cc [0,1,0,1,0,0|2,0,0]=4 17171 B11R1.172 C[C@@H](O)CCN[C@H]1CCOC1 4aa1437b22e6249be07309099720dfe1 [0,1,0,1,0,0|2,0,0]=4 17172 B11R1.172 C[C@@H](O)CNCC1CCCC1 18cba5e5fea8d69e88ae9cd345456750 [0,1,0,1,0,0|2,0,0]=4 17173 B11R1.172 C[C@H](F)COCC1CCCC1 4676f0369cc636d85558583120f0ada7 [0,1,0,1,0,0|2,0,0]=4 17174 B11R1.172 C[C@H](O)CCNC1CCCC1 244055ba93d79d95c03bceadcf5d0c05 [0,1,0,1,0,0|1,0,0]=3 17175 B11R1.172 C[C@H](O)CCNC1CCOC1 01d237e204a900e5e978782beae58b9a [0,1,0,1,0,0|2,0,0]=4 17176 B11R1.172 C[C@H](O)CCN[C@@H]1CCOC1 afe69ee9b2d23d00a27b18ac33cfda15 [0,1,0,1,0,0|2,0,0]=4 17177 B11R1.172 C[C@H](O)CCN[C@H]1CCOC1 7c06004ad34b36630db3918c665703ee [0,1,0,1,0,0|2,0,0]=4 17178 B11R1.172 C[C@H](O)CNCC1CCCC1 09cf9ef0b76988786cefde99b3fcb501 [0,1,0,1,0,0|2,0,0]=4 17179 B11R1.172 FC(F)CCNC1CCCC1 ffe4b8ea6ea6641934dff4ddbae97ae9 [0,1,0,1,0,0|2,0,0]=4 17180 B11R1.172 FC(F)CCOC1CCCC1 83845b9f5f25e7d6526d8db5431da226 [0,1,0,1,0,0|1,0,0]=3 17181 B11R1.172 FC(F)CCOC1CCOC1 914620192c5566d6a6f3531ca3db894e [0,1,0,1,0,0|2,0,0]=4 17182 B11R1.172 FC(F)CCO[C@@H]1CCOC1 2b7f6fc78998ac7f57ca0047fabb35dd [0,1,0,1,0,0|2,0,0]=4 17183 B11R1.172 FC(F)CCO[C@H]1CCOC1 3fbdac8e1afcd5c40bd9511a270ebe06 [0,1,0,1,0,0|2,0,0]=4 17184 B11R1.172 NC(=O)CCOC1CCCC1 ebf5328f3f8c43524eb5068855193bd6 [0,1,0,1,0,0|1,0,1]=4 17185 B11R1.172 O=C(O)CCOC1CCCC1 a78608f01bf2d90213806fa026bc85f0 [0,1,0,1,0,0|1,0,1]=4 17186 B11R1.172 O=[N+]([O-])CCOC1CCCC1 fb8e126d2e2aa46ba204c9e62e77469c [0,1,0,1,0,0|2,0,0]=4 17187 B11R1.174 C/C(=C/COCC1CCC1)/Cl 45729473f2a22acf23f6a87fe1c543c2 [0,1,0,1,0,0|0,0,2]=4 17188 B11R1.174 C/C(=C/COCC1CCC1)/I 5d8058ee60fdd220081c42e184a262b8 [0,1,0,1,0,0|0,0,2]=4 17189 B11R1.174 C/C(=C\COCC1CCC1)/Cl b87302d8b45ce461cd4bb9f0be730127 [0,1,0,1,0,0|0,0,2]=4 17190 B11R1.174 C=C(Br)CCOCC1CCC1 f151e3aaabc2d2c899620a570076e116 [0,1,0,1,0,0|0,0,2]=4 17191 B11R1.174 C=C(C)CCCNC1CCC1 44305f6b86a450ff0068d5fa14ea083c [0,1,0,1,0,0|1,0,1]=4 17192 B11R1.174 C=C(C)CCCOC1CCC1 1d1db28c6ab5c4a47973b3575ebae224 [0,1,0,1,0,0|0,0,1]=3 17193 B11R1.174 C=C(C)CCCOC1COC1 344eb4f6b06d039bba4e09c43e101526 [0,1,0,1,0,0|1,0,1]=4 17194 B11R1.174 C=C(C)CCCOC1CSC1 089864bc29ce235b6a66407fcb77a740 [0,1,0,1,0,0|1,0,1]=4 17195 B11R1.174 C=C(C)CCNCC1CCC1 3f342189596343ed002999c2dc3c0fdc [0,1,0,1,0,0|1,0,1]=4 17196 B11R1.174 C=C(C)CCOCC1CCC1 a8e0db0985c21144339756b71656283a [0,1,0,1,0,0|0,0,1]=3 17197 B11R1.174 C=C(C)CCOCC1CCO1 0ced5f71754b45012540b89a857308bc [0,1,0,1,0,0|1,0,1]=4 17198 B11R1.174 C=C(C)CCOCC1COC1 687988fdc6ae43ddf4ac46cdcd099dda [0,1,0,1,0,0|1,0,1]=4 17199 B11R1.174 C=C(C)CCOCC1CSC1 201fbf2aa53acb8a17b6dee015d3db0d [0,1,0,1,0,0|1,0,1]=4 17200 B11R1.174 C=C(C)CCOC[C@@H]1CCO1 4c08384d7abccd7fda3ee353b7d22473 [0,1,0,1,0,0|1,0,1]=4 17201 B11R1.174 C=C(C)CCOC[C@H]1CCO1 3156688e0116ea932b6e598cbb579cce [0,1,0,1,0,0|1,0,1]=4 17202 B11R1.174 CC(=CCCOC1CCC1)C 7227d5316588779ba802e38f18058283 [0,1,0,1,0,0|0,0,2]=4 17203 B11R1.174 CC(=CCOCC1CCC1)C 343a6506be866a9d251a5821921006a7 [0,1,0,1,0,0|0,0,2]=4 17204 B11R1.174 CC(=CCOCC1CCC1)Cl b7ab2287c5ef97cb5958c2c4025df208 [0,1,0,1,0,0|0,0,2]=4 17205 B11R1.174 CC(=CCOCC1CCC1)I e0cde3aec8c61e4a388731b14d61ff23 [0,1,0,1,0,0|0,0,2]=4 17206 B11R1.174 CC(=O)CCCNC1CCC1 9d5e6a34536cb29e0c4e4aab5779ce3f [0,1,0,1,0,0|1,0,1]=4 17207 B11R1.174 CC(=O)CCCOC1CCC1 7ef6b8db9fe814d0e6473ae999d09557 [0,1,0,1,0,0|0,0,1]=3 17208 B11R1.174 CC(=O)CCCOC1COC1 47014277672911dd53aa1a5c220fe20b [0,1,0,1,0,0|1,0,1]=4 17209 B11R1.174 CC(=O)CCCOC1CSC1 6d2d42ca7e5c1fbc991148a484e5130e [0,1,0,1,0,0|1,0,1]=4 17210 B11R1.174 CC(=O)CCNCC1CCC1 46c52fee0c2afa627fde78fb48fb79a2 [0,1,0,1,0,0|1,0,1]=4 17211 B11R1.174 CC(=O)CCOCC1CCC1 eb9625984917930ff1284248f8f7a6eb [0,1,0,1,0,0|0,0,1]=3 17212 B11R1.174 CC(=O)CCOCC1CCO1 7867f92d1150f6962e6d3c66c2f80ee3 [0,1,0,1,0,0|1,0,1]=4 17213 B11R1.174 CC(=O)CCOCC1COC1 563fbaad50fab6c7bd11db0faea46d1e [0,1,0,1,0,0|1,0,1]=4 17214 B11R1.174 CC(=O)CCOCC1CSC1 411273286e673989edf5de381d0f1a44 [0,1,0,1,0,0|1,0,1]=4 17215 B11R1.174 CC(=O)CCOC[C@@H]1CCO1 69b0718a1b576aa96c130c6647292809 [0,1,0,1,0,0|1,0,1]=4 17216 B11R1.174 CC(=O)CCOC[C@H]1CCO1 a42df15bf80e12f154f190dd1cdec875 [0,1,0,1,0,0|1,0,1]=4 17217 B11R1.174 CC(=O)NCCOC1CCC1 3b0ee716030c7af7146c7ea2b129ff90 [0,1,0,1,0,0|1,0,1]=4 17218 B11R1.174 CC(=O)NCOCC1CCC1 e594702d393d02df666c4f85e6ba814b [0,1,0,1,0,0|1,0,1]=4 17219 B11R1.174 CC(=O)OCCOC1CCC1 2c6fc8b09f6355c045fe3081ff5f60e8 [0,1,0,1,0,0|1,0,1]=4 17220 B11R1.174 CC(=O)OCOCC1CCC1 c4249aad3dd49a6377246e85980ed555 [0,1,0,1,0,0|1,0,1]=4 17221 B11R1.174 CC(=O)SCCOC1CCC1 9de66995bfb48432d15d3f5cfddf7021 [0,1,0,1,0,0|1,0,1]=4 17222 B11R1.174 CC(C)/C=C/COC1CCC1 63b4f493f071ddefe3e0f358b17b1220 [0,1,0,1,0,0|0,0,2]=4 17223 B11R1.174 CC(C)CCCCN1CCC1 faa6965bc54dfa2800c74843a019017d [0,1,0,1,0,0|2,0,0]=4 17224 B11R1.174 CC(C)CCCNC1CCC1 a2c0f1bb939d6deeefbd33d2d35242d3 [0,1,0,1,0,0|1,0,0]=3 17225 B11R1.174 CC(C)CCCNC1COC1 c40c915409c1f540eec13e60d756f446 [0,1,0,1,0,0|2,0,0]=4 17226 B11R1.174 CC(C)CCCOC1CCC1 61729ad2309116ab4696475879e0b0d5 [0,1,0,1,0,0|0,0,0]=2 17227 B11R1.174 CC(C)CCCOC1COC1 85bdc09510dd7ae3daa0fb72286812bb [0,1,0,1,0,0|1,0,0]=3 17228 B11R1.174 CC(C)CCCOC1CSC1 7945f11e5170b514ec88035acaa1dd68 [0,1,0,1,0,0|1,0,0]=3 17229 B11R1.174 CC(C)CCNCC1CCC1 9323f36dcde028825ae2f824e7f2e96c [0,1,0,1,0,0|1,0,0]=3 17230 B11R1.174 CC(C)CCNCC1CCO1 6e1c5e0fbfb938eb982b4e8c94ccfd98 [0,1,0,1,0,0|2,0,0]=4 17231 B11R1.174 CC(C)CCNCC1COC1 bed302de1e7e76de060d7107b92f9d42 [0,1,0,1,0,0|2,0,0]=4 17232 B11R1.174 CC(C)CCNC[C@@H]1CCO1 e2f5cbfb3da0d312ba0f13fb1a14e050 [0,1,0,1,0,0|2,0,0]=4 17233 B11R1.174 CC(C)CCNC[C@H]1CCO1 f48e4d06aecb5e41c1ef849c520fb350 [0,1,0,1,0,0|2,0,0]=4 17234 B11R1.174 CC(C)CCOCC1CCC1 c8d2fc654f6b0fd842b30803994b5deb [0,1,0,1,0,0|0,0,0]=2 17235 B11R1.174 CC(C)CCOCC1CCO1 9572a500f7665611ea6c61f15535e340 [0,1,0,1,0,0|1,0,0]=3 17236 B11R1.174 CC(C)CCOCC1COC1 b227fae41ac38c1c45616fa244b5eb1c [0,1,0,1,0,0|1,0,0]=3 17237 B11R1.174 CC(C)CCOCC1CSC1 cde57bdc96ad9d35b8f991a91562eb63 [0,1,0,1,0,0|1,0,0]=3 17238 B11R1.174 CC(C)CCOC[C@@H]1CCO1 449262457865bfc694a9dab71de4c174 [0,1,0,1,0,0|1,0,0]=3 17239 B11R1.174 CC(C)CCOC[C@H]1CCO1 454d82f0662b9b38b402d114e6bb541a [0,1,0,1,0,0|1,0,0]=3 17240 B11R1.174 CC(C)CNCCC1CCC1 de56775f04ab85d8d61bbf8602d5a90e [0,1,0,1,0,0|2,0,0]=4 17241 B11R1.174 CC(C)COCCC1CCC1 1fd7a1ad838b7a274c3f4fbfe0cdf94e [0,1,0,1,0,0|2,0,0]=4 17242 B11R1.174 CC(C)OCCCC1CCC1 ac65920b17e8d7ea55ac9707a1e329af [0,1,0,1,0,0|2,0,0]=4 17243 B11R1.174 CC(C)OCCNC1CCC1 c4ee7d2ff1991e354c9ae385237f353a [0,1,0,1,0,0|2,0,0]=4 17244 B11R1.174 CC(C)OCCOC1CCC1 52d970ee394675b029127f431ff5fcd0 [0,1,0,1,0,0|1,0,0]=3 17245 B11R1.174 CC(C)OCCOC1COC1 60b650f74e6795f32cffe78f3a586b1b [0,1,0,1,0,0|2,0,0]=4 17246 B11R1.174 CC(C)OCCOC1CSC1 ccebddeda62cfd835a1fc72746d96b71 [0,1,0,1,0,0|2,0,0]=4 17247 B11R1.174 CC(C)OCNCC1CCC1 8c48b4057085afd2a4e782ebabaa908b [0,1,0,1,0,0|2,0,0]=4 17248 B11R1.174 CC(C)OCOCC1CCC1 7439e862f41d401af418c44034bd255c [0,1,0,1,0,0|1,0,0]=3 17249 B11R1.174 CC(C)OCOCC1CCO1 bfd4dc242750a08191102b42a6add41d [0,1,0,1,0,0|2,0,0]=4 17250 B11R1.174 CC(C)OCOCC1COC1 bd11abdf8127ef20ee236c2a0132b3e7 [0,1,0,1,0,0|2,0,0]=4 17251 B11R1.174 CC(C)OCOCC1CSC1 e5e12ceb5a41a62a257ea063aa6df9c9 [0,1,0,1,0,0|2,0,0]=4 17252 B11R1.174 CC(C)OCOC[C@@H]1CCO1 524bbcde92ced019431dcf501a7737f1 [0,1,0,1,0,0|2,0,0]=4 17253 B11R1.174 CC(C)OCOC[C@H]1CCO1 36e90bf53c186f4b0023db38845879c6 [0,1,0,1,0,0|2,0,0]=4 17254 B11R1.174 CC(C)SCCNC1CCC1 4a16c7a23dc29887074543f01907b224 [0,1,0,1,0,0|2,0,0]=4 17255 B11R1.174 CC(C)SCCOC1CCC1 8f39038a18b96399abd729791c7c5d1c [0,1,0,1,0,0|1,0,0]=3 17256 B11R1.174 CC(C)SCCOC1COC1 68aae9d60e8f463978252e1fe07bba04 [0,1,0,1,0,0|2,0,0]=4 17257 B11R1.174 CC(C)SCCOC1CSC1 23cac49980f7e06f90745d42b6a6f14e [0,1,0,1,0,0|2,0,0]=4 17258 B11R1.174 CC(F)COCCC1CCC1 f074067909c48015a3448b0512793d5a [0,1,0,1,0,0|2,0,0]=4 17259 B11R1.174 CC(O)CCCCN1CCC1 8406a558f31bb03b3242ca1b31978a82 [0,1,0,1,0,0|2,0,0]=4 17260 B11R1.174 CC(O)CCCNC1CCC1 224435ed31ecafed414a0a14f16f4db2 [0,1,0,1,0,0|1,0,0]=3 17261 B11R1.174 CC(O)CCCNC1COC1 3a0fe2105019a780f72e580c9c5985ef [0,1,0,1,0,0|2,0,0]=4 17262 B11R1.174 CC(O)CCNCC1CCC1 180594aa84852a257aec8460d74bb063 [0,1,0,1,0,0|1,0,0]=3 17263 B11R1.174 CC(O)CCNCC1CCO1 0dc6f968de7216074d5d19fee0cb6784 [0,1,0,1,0,0|2,0,0]=4 17264 B11R1.174 CC(O)CCNCC1COC1 71f70df7071a13c6452cfa154d7918a9 [0,1,0,1,0,0|2,0,0]=4 17265 B11R1.174 CC(O)CCNC[C@@H]1CCO1 b7e74345f0e9ee93084c43c9fa650ffb [0,1,0,1,0,0|2,0,0]=4 17266 B11R1.174 CC(O)CCNC[C@H]1CCO1 7eacee9bed7b70504d28481ce88973ed [0,1,0,1,0,0|2,0,0]=4 17267 B11R1.174 CC(O)CNCCC1CCC1 899b7380e7204898781d4f1ea9d4dac0 [0,1,0,1,0,0|2,0,0]=4 17268 B11R1.174 CC(S)COCCC1CCC1 c3e42e77f6f413362dac080e57955d05 [0,1,0,1,0,0|2,0,0]=4 17269 B11R1.174 CN(C)CCCNC1CCC1 8cfcf64d6f582cd64ed2d91005f8ff78 [0,1,0,1,0,0|2,0,0]=4 17270 B11R1.174 CN(C)CCCOC1CCC1 439c07c74be91e97a2b361ed0ab86aa0 [0,1,0,1,0,0|1,0,0]=3 17271 B11R1.174 CN(C)CCCOC1COC1 c6daf56de22fc63f4b59dad862e1852b [0,1,0,1,0,0|2,0,0]=4 17272 B11R1.174 CN(C)CCCOC1CSC1 9fb5783c536c8f33160c98c2d538198e [0,1,0,1,0,0|2,0,0]=4 17273 B11R1.174 CN(C)CCNCC1CCC1 67430366872f510b8651586fd5051659 [0,1,0,1,0,0|2,0,0]=4 17274 B11R1.174 CN(C)CCOCC1CCC1 372b18d30cea0205d3c8845b7d1431ce [0,1,0,1,0,0|1,0,0]=3 17275 B11R1.174 CN(C)CCOCC1CCO1 d9c8a2eea2f24cfd6e4ff355a6cb18f3 [0,1,0,1,0,0|2,0,0]=4 17276 B11R1.174 CN(C)CCOCC1COC1 c048db6c756f4c547e6a584c4945b723 [0,1,0,1,0,0|2,0,0]=4 17277 B11R1.174 CN(C)CCOCC1CSC1 835b2d5a3ac47fe628591b1c5723f308 [0,1,0,1,0,0|2,0,0]=4 17278 B11R1.174 CN(C)CCOC[C@@H]1CCO1 50d3f9676f1c5bd4b590b90a0e84eaa3 [0,1,0,1,0,0|2,0,0]=4 17279 B11R1.174 CN(C)CCOC[C@H]1CCO1 46b5541fbfdf42d01392e53fe7a60003 [0,1,0,1,0,0|2,0,0]=4 17280 B11R1.174 CS(=O)CCCNC1CCC1 345c8ab7151c6802890464ec0e8f7041 [0,1,0,1,0,0|2,0,0]=4 17281 B11R1.174 CS(=O)CCNCC1CCC1 57517fd85c88c03d054f5d6a3b8c6dc6 [0,1,0,1,0,0|2,0,0]=4 17282 B11R1.174 CS(=O)CCOCC1CCC1 bf9ee2c9d1a76665c21a607141c546f3 [0,1,0,1,0,0|1,0,0]=3 17283 B11R1.174 CS(=O)CCOCC1CCO1 a81becd73968e16ee33457b4d3763130 [0,1,0,1,0,0|2,0,0]=4 17284 B11R1.174 CS(=O)CCOCC1COC1 5822b09e75bbbc5864bc2c6e5dabde28 [0,1,0,1,0,0|2,0,0]=4 17285 B11R1.174 CS(=O)CCOCC1CSC1 2acbcd3f02d1f7ef1fc321860f70bbe7 [0,1,0,1,0,0|2,0,0]=4 17286 B11R1.174 CS(=O)CCOC[C@@H]1CCO1 0b4a568b2810133d6a0ae32220678133 [0,1,0,1,0,0|2,0,0]=4 17287 B11R1.174 CS(=O)CCOC[C@H]1CCO1 68a16f863b2f4b99c4e22428f88c3033 [0,1,0,1,0,0|2,0,0]=4 17288 B11R1.174 C[C@@H](F)COCCC1CCC1 a9ba082e6568c10825ace1ad23c21043 [0,1,0,1,0,0|2,0,0]=4 17289 B11R1.174 C[C@@H](O)CCCCN1CCC1 c82b2c7a02fc4e689992e1520866ba62 [0,1,0,1,0,0|2,0,0]=4 17290 B11R1.174 C[C@@H](O)CCNCC1CCC1 7e2621cc8c9335dff3489fcd83d1ce1f [0,1,0,1,0,0|1,0,0]=3 17291 B11R1.174 C[C@@H](O)CCNCC1CCO1 96fbcff352656680246c84eb9c83277c [0,1,0,1,0,0|2,0,0]=4 17292 B11R1.174 C[C@@H](O)CCNCC1COC1 a4d202f4be40856a8515cdb059521571 [0,1,0,1,0,0|2,0,0]=4 17293 B11R1.174 C[C@@H](O)CCNC[C@@H]1CCO1 958a3c9dad48afe377aeea05e06a33e0 [0,1,0,1,0,0|2,0,0]=4 17294 B11R1.174 C[C@@H](O)CCNC[C@H]1CCO1 dd36fdbd7dba1b8e9e9491006b68a7af [0,1,0,1,0,0|2,0,0]=4 17295 B11R1.174 C[C@@H](O)CNCCC1CCC1 9b5af2d454111c494f8d310aef7f9039 [0,1,0,1,0,0|2,0,0]=4 17296 B11R1.174 C[C@H](F)COCCC1CCC1 40198b50ebd3c9c94c27dd15c84ca262 [0,1,0,1,0,0|2,0,0]=4 17297 B11R1.174 C[C@H](O)CCNCC1CCC1 605840902192f6dbb9aaae8beed5ea18 [0,1,0,1,0,0|1,0,0]=3 17298 B11R1.174 C[C@H](O)CCNCC1CCO1 4c8400ab4e44374884778261d893bc8a [0,1,0,1,0,0|2,0,0]=4 17299 B11R1.174 C[C@H](O)CCNCC1COC1 4eb3f7f2675b8159de54d8838d6f4d63 [0,1,0,1,0,0|2,0,0]=4 17300 B11R1.174 C[C@H](O)CCNC[C@@H]1CCO1 f6bc175dfd801bade802d06e342c1e5d [0,1,0,1,0,0|2,0,0]=4 17301 B11R1.174 C[C@H](O)CCNC[C@H]1CCO1 d9c99657310835785291b27338295719 [0,1,0,1,0,0|2,0,0]=4 17302 B11R1.174 C[C@H](O)CNCCC1CCC1 7944011a523f7249cac362e9d9eccc0c [0,1,0,1,0,0|2,0,0]=4 17303 B11R1.174 FC(F)CCNCC1CCC1 a5b2457b4eb96527244509da9b3e186f [0,1,0,1,0,0|2,0,0]=4 17304 B11R1.174 FC(F)CCOCC1CCC1 b430842db92a037da4da4d3412e10665 [0,1,0,1,0,0|1,0,0]=3 17305 B11R1.174 FC(F)CCOCC1CCO1 555777db78eb3153e23320c3567698b0 [0,1,0,1,0,0|2,0,0]=4 17306 B11R1.174 FC(F)CCOCC1COC1 5bb029dbbdfa2795e833a957ff013a4a [0,1,0,1,0,0|2,0,0]=4 17307 B11R1.174 FC(F)CCOC[C@@H]1CCO1 80bd5943eef8c6ab796e3d5a0e4cff26 [0,1,0,1,0,0|2,0,0]=4 17308 B11R1.174 FC(F)CCOC[C@H]1CCO1 89cd146e31fe55aba40c86c21868ca50 [0,1,0,1,0,0|2,0,0]=4 17309 B11R1.174 FC(F)OCCOC1CCC1 540148436a094647451ccfce9fa13e60 [0,1,0,1,0,0|2,0,0]=4 17310 B11R1.174 NC(=O)CCCOC1CCC1 30d40f734523ab1b71d78b1d13a9a716 [0,1,0,1,0,0|1,0,1]=4 17311 B11R1.174 NC(=O)CCOCC1CCC1 745f7a4866c05893a6b2556a97481c7f [0,1,0,1,0,0|1,0,1]=4 17312 B11R1.174 O=C(O)CCCOC1CCC1 768c3041fc41550e6af0ddd7c673718a [0,1,0,1,0,0|1,0,1]=4 17313 B11R1.174 O=C(O)CCOCC1CCC1 538308fdd78afb9ed4902348844ff826 [0,1,0,1,0,0|1,0,1]=4 17314 B11R1.174 O=[N+]([O-])CCCOC1CCC1 72a8599a8c350753b0202ba1ab06d93a [0,1,0,1,0,0|2,0,0]=4 17315 B11R1.174 O=[N+]([O-])CCOCC1CCC1 08726ffe4a44d8210ea309ebbf2cc534 [0,1,0,1,0,0|2,0,0]=4 17316 B11R1.176 C/C(=C/COCCC1CC1)/Cl 9fa2e3afa7333945fc2105264078a6ef [0,1,0,1,0,0|0,0,2]=4 17317 B11R1.176 C/C(=C/COCCC1CC1)/I 18470cf23922a6dba32d0d1f8e50f4e4 [0,1,0,1,0,0|0,0,2]=4 17318 B11R1.176 C/C(=C\COCCC1CC1)/Cl e9a4c419491c8493b5d28714c0dc5139 [0,1,0,1,0,0|0,0,2]=4 17319 B11R1.176 C=C(Br)CCOCCC1CC1 116f02b75b80de18ce04445490a237ba [0,1,0,1,0,0|0,0,2]=4 17320 B11R1.176 C=C(C)CCCNCC1CC1 7f6f577bda9bab7889b39cc78fe95f2b [0,1,0,1,0,0|1,0,1]=4 17321 B11R1.176 C=C(C)CCCOCC1CC1 b34f0734cf473ded148ee42de2b253af [0,1,0,1,0,0|0,0,1]=3 17322 B11R1.176 C=C(C)CCNCCC1CC1 5419e8fdc21854564f97ed8b49456a6a [0,1,0,1,0,0|1,0,1]=4 17323 B11R1.176 C=C(C)CCOCCC1CC1 5c5f24f025ef1d038a687446525f55e9 [0,1,0,1,0,0|0,0,1]=3 17324 B11R1.176 C=C(C)CCOCCN1CC1 ef85afd752c60a7d4c07be4e81f298a4 [0,1,0,1,0,0|1,0,1]=4 17325 B11R1.176 CC(=CCCOCC1CC1)C 1758533c01ebae727c3ff48e59b7f7ad [0,1,0,1,0,0|0,0,2]=4 17326 B11R1.176 CC(=CCOCCC1CC1)C 337353f6be6f522e9c2c2048de94f479 [0,1,0,1,0,0|0,0,2]=4 17327 B11R1.176 CC(=CCOCCC1CC1)Cl ad01a7542c19dd251ab21633954ec537 [0,1,0,1,0,0|0,0,2]=4 17328 B11R1.176 CC(=CCOCCC1CC1)I 5caaeda9618bffe14f8aaa3bccc698a0 [0,1,0,1,0,0|0,0,2]=4 17329 B11R1.176 CC(=O)CCCNCC1CC1 43a727b6564ec5256398658d22fc4abb [0,1,0,1,0,0|1,0,1]=4 17330 B11R1.176 CC(=O)CCCOCC1CC1 e5c1da2ade8ff6b054607a722b11b8b1 [0,1,0,1,0,0|0,0,1]=3 17331 B11R1.176 CC(=O)CCNCCC1CC1 80ae1950672890ad568c5e47b7b78c34 [0,1,0,1,0,0|1,0,1]=4 17332 B11R1.176 CC(=O)CCOCCC1CC1 474fb5143caabd1a98a14e5579938754 [0,1,0,1,0,0|0,0,1]=3 17333 B11R1.176 CC(=O)CCOCCN1CC1 0a11277029c5251b74d5f5144076b3ec [0,1,0,1,0,0|1,0,1]=4 17334 B11R1.176 CC(=O)NCCOCC1CC1 de05525fc398e45e8a7c1f52cdac9bd5 [0,1,0,1,0,0|1,0,1]=4 17335 B11R1.176 CC(=O)NCOCCC1CC1 64b872083dcfd193a5a542d39d6f7b40 [0,1,0,1,0,0|1,0,1]=4 17336 B11R1.176 CC(=O)OCCOCC1CC1 f1e011cc42c24c07d94140a6b7c421ca [0,1,0,1,0,0|1,0,1]=4 17337 B11R1.176 CC(=O)OCOCCC1CC1 9f00f4fac04a071bde6b5170296a78a3 [0,1,0,1,0,0|1,0,1]=4 17338 B11R1.176 CC(=O)SCCOCC1CC1 e5766ad0b954b85627e8d8cb3c28b536 [0,1,0,1,0,0|1,0,1]=4 17339 B11R1.176 CC(C)/C=C/COCC1CC1 379144e6478ca0f23d0022365214804f [0,1,0,1,0,0|0,0,2]=4 17340 B11R1.176 CC(C)CCCCNC1CC1 2423f245c7e33c3f8b167163a1e43396 [0,1,0,1,0,0|2,0,0]=4 17341 B11R1.176 CC(C)CCCCOC1CC1 25b09969ac9de57f4e6dd641cad56096 [0,1,0,1,0,0|2,0,0]=4 17342 B11R1.176 CC(C)CCCNCC1CC1 4db010450482c9b548766f85c94cc96b [0,1,0,1,0,0|1,0,0]=3 17343 B11R1.176 CC(C)CCCOCC1CC1 2547176dd9ffd6083df01359b2537c52 [0,1,0,1,0,0|0,0,0]=2 17344 B11R1.176 CC(C)CCNCCC1CC1 5479127af653c466f4d16d58d9500eab [0,1,0,1,0,0|1,0,0]=3 17345 B11R1.176 CC(C)CCNCCN1CC1 204f6beb4906ad31552e855ced95f1bc [0,1,0,1,0,0|2,0,0]=4 17346 B11R1.176 CC(C)CCOCCC1CC1 23c26eaba8fd013f53eebace016ece77 [0,1,0,1,0,0|0,0,0]=2 17347 B11R1.176 CC(C)CCOCCN1CC1 a895d9e4562d46ef726c1505f6f18926 [0,1,0,1,0,0|1,0,0]=3 17348 B11R1.176 CC(C)COCCCC1CC1 8161d928d3d2d53b9b112937eac4ffba [0,1,0,1,0,0|2,0,0]=4 17349 B11R1.176 CC(C)NCCSCC1CC1 dd138d54db749166a00250ad38c39a65 [0,1,0,1,0,0|1,1,0]=4 17350 B11R1.176 CC(C)OCCNCC1CC1 f86e2f5e80b9847b99c58a610356d5cb [0,1,0,1,0,0|2,0,0]=4 17351 B11R1.176 CC(C)OCCOCC1CC1 8aacbc741ffc472421343857336bc594 [0,1,0,1,0,0|1,0,0]=3 17352 B11R1.176 CC(C)OCNCCC1CC1 ac0e4327022ffe342f06fb28689e7e17 [0,1,0,1,0,0|2,0,0]=4 17353 B11R1.176 CC(C)OCOCCC1CC1 d570b5339c2a42263707f650ce240472 [0,1,0,1,0,0|1,0,0]=3 17354 B11R1.176 CC(C)OCOCCN1CC1 3d49f4ec0cd94a38e12c31cacde7b221 [0,1,0,1,0,0|2,0,0]=4 17355 B11R1.176 CC(C)SCCNCC1CC1 24293a334ffd51196d65f8015738b553 [0,1,0,1,0,0|2,0,0]=4 17356 B11R1.176 CC(C)SCCOCC1CC1 dfd084261280b3e748793cc296e39eda [0,1,0,1,0,0|1,0,0]=3 17357 B11R1.176 CC(O)CCCCNC1CC1 7232d250576ddf41e7e3b2b70f58bcf1 [0,1,0,1,0,0|2,0,0]=4 17358 B11R1.176 CC(O)CCCNCC1CC1 095af535a104f12bc99dd024a5f3fab5 [0,1,0,1,0,0|1,0,0]=3 17359 B11R1.176 CC(O)CCNCCC1CC1 a4a51dbb830c2ee40ec5fe97e9062fd1 [0,1,0,1,0,0|1,0,0]=3 17360 B11R1.176 CC(O)CCNCCN1CC1 f569655dfe4c6e2d1ff0e53d1559ad81 [0,1,0,1,0,0|2,0,0]=4 17361 B11R1.176 CN(C)CCCNCC1CC1 cdb5727d9f8fb205cdf17a4eedf8445c [0,1,0,1,0,0|2,0,0]=4 17362 B11R1.176 CN(C)CCCOCC1CC1 d3b0c69957f13a9a576039e74b29bcc2 [0,1,0,1,0,0|1,0,0]=3 17363 B11R1.176 CN(C)CCNCCC1CC1 a9360763817097be0e521b3325133a31 [0,1,0,1,0,0|2,0,0]=4 17364 B11R1.176 CN(C)CCOCCC1CC1 a1128fe794c4201ed0b654eca4006a9f [0,1,0,1,0,0|1,0,0]=3 17365 B11R1.176 CN(C)CCOCCN1CC1 29d093c542713858d67199438772a9a4 [0,1,0,1,0,0|2,0,0]=4 17366 B11R1.176 CS(=O)CCCNCC1CC1 af91a45c466000cbc9d1f4f2b8107232 [0,1,0,1,0,0|2,0,0]=4 17367 B11R1.176 CS(=O)CCNCCC1CC1 843aa0f28b51d9737a5cc73501d64be2 [0,1,0,1,0,0|2,0,0]=4 17368 B11R1.176 CS(=O)CCOCCC1CC1 2f2a8318f70240dd6df59ae0d519ea7a [0,1,0,1,0,0|1,0,0]=3 17369 B11R1.176 CS(=O)CCOCCN1CC1 32c3f60b1b5762c4589b0c07fe5a148b [0,1,0,1,0,0|2,0,0]=4 17370 B11R1.176 C[C@@H](O)CCCCNC1CC1 8624d841da30243b268a44d4d1d6d1ee [0,1,0,1,0,0|2,0,0]=4 17371 B11R1.176 C[C@@H](O)CCNCCC1CC1 228ef128c4627c7673cacc70bdefaff8 [0,1,0,1,0,0|1,0,0]=3 17372 B11R1.176 C[C@H](O)CCNCCC1CC1 96de328720fa3323f2ae5d1d75017e03 [0,1,0,1,0,0|1,0,0]=3 17373 B11R1.176 FC(F)CCNCCC1CC1 2d296652b726b9a89fc14182a4fdcea5 [0,1,0,1,0,0|2,0,0]=4 17374 B11R1.176 FC(F)CCOCCC1CC1 6f0740ccbedef95e31ea26710b189e71 [0,1,0,1,0,0|1,0,0]=3 17375 B11R1.176 FC(F)OCCOCC1CC1 b99f45e4828bba152e2e449ff3616e79 [0,1,0,1,0,0|2,0,0]=4 17376 B11R1.176 NC(=O)CCCOCC1CC1 5ba90454edbb90a95bbeef36d482662c [0,1,0,1,0,0|1,0,1]=4 17377 B11R1.176 NC(=O)CCOCCC1CC1 d3ecaeef41085c9559520165bd4a9908 [0,1,0,1,0,0|1,0,1]=4 17378 B11R1.176 O=C(O)CCOCCC1CC1 2cd73a23cd9c696299470b6ca4a30071 [0,1,0,1,0,0|1,0,1]=4 17379 B11R1.176 O=[N+]([O-])CCCOCC1CC1 83525184dde117f8f5ab71938624a63b [0,1,0,1,0,0|2,0,0]=4 17380 B11R1.176 O=[N+]([O-])CCOCCC1CC1 69ab4cb585a410d30969a13e3d559150 [0,1,0,1,0,0|2,0,0]=4 17381 B11R1.191 CCCN1CCCCC1(C)C 49ee18d54882944d6a45094509dbb589 [0,1,0,1,0,0|2,0,0]=4 17382 B11R1.191 CCNC1CCCCC1(C)C 8e174ebf059d89e4df3c3f311d802c16 [0,1,0,1,0,0|2,0,0]=4 17383 B11R1.191 CCNC1CCCCC1(C)O ae26b29892fb3bcfdbf94dd008ae79f6 [0,1,0,1,0,0|2,0,0]=4 17384 B11R1.191 CCNC1COCCC1(F)F 5ee156a6e7b843a3b7d5502b53cec57a [0,1,0,1,0,0|2,0,0]=4 17385 B11R1.191 CCOC1CCCCC1(C)C ffb41d0422e8151677e995843e539298 [0,1,0,1,0,0|2,0,0]=4 17386 B11R1.193 CCCC1SCCN1C(C)C 7bc3e3051a39db6a95a4e1142bebea5f [0,1,0,1,0,0|1,1,0]=4 17387 B11R1.193 CCCN1CCCC1C(C)C 678f1b8a2234adbac752868752c0d326 [0,1,0,1,0,0|2,0,0]=4 17388 B11R1.193 CCCN1CCCC1C(C)O 06c0ee1d47fb382c8f6fe1ae4d5e49db [0,1,0,1,0,0|2,0,0]=4 17389 B11R1.193 CCCN1CCC[C@@H]1C(C)O 928b3072563b392083179ee68c307cdc [0,1,0,1,0,0|2,0,0]=4 17390 B11R1.193 CCCN1CCC[C@H]1C(C)C 2fab88a9da93b036d7ca5fa4c7e04532 [0,1,0,1,0,0|2,0,0]=4 17391 B11R1.193 CCCN1CCC[C@H]1[C@H](C)O 7b67ac5834f2e37048360661ce78ed9d [0,1,0,1,0,0|2,0,0]=4 17392 B11R1.193 CCN[C@H]1COC[C@@H]1N(C)C 7220439fdc35092175dd70eabb2e12a7 [0,1,0,1,0,0|2,0,0]=4 17393 B11R1.193 CCOC1CCCC1C(C)C a39e619ea631bec3e02dabd96add76b0 [0,1,0,1,0,0|2,0,0]=4 17394 B11R1.233 CC1(CCCN1CCCF)C 77888fabbd12b82da082fe0ed132e8fc [0,1,0,1,0,0|2,0,0]=4 17395 B11R1.233 CC1(CCCN1CCCO)C 7545ff425ebb24b25b5fe17be468bc1f [0,1,0,1,0,0|2,0,0]=4 17396 B11R1.233 CC1(CCCN1CCCS)C 0c1c634eb3ea30788837dcb998595511 [0,1,0,1,0,0|2,0,0]=4 17397 B11R1.233 CCCCN1CCCC1(C)C 11850635168c5f7c78d33a220baf53e3 [0,1,0,1,0,0|1,0,0]=3 17398 B11R1.233 CCCCN1CCOC1(C)C c8e5c35d7c4253a2cf7dc255d822a313 [0,1,0,1,0,0|2,0,0]=4 17399 B11R1.233 CCCCN1CCSC1(C)C 738e2bf2ba2b2b300d7a98cc67012294 [0,1,0,1,0,0|2,0,0]=4 17400 B11R1.233 CCCCN1COCC1(C)C 4daddc7978ae8537a95967bd9c6bd5fc [0,1,0,1,0,0|2,0,0]=4 17401 B11R1.233 CCCNC1CCCC1(C)C f24cc4abc4e624c0304d5452c5b2e95d [0,1,0,1,0,0|2,0,0]=4 17402 B11R1.233 CCCNC1CCCC1(C)O abfaa72394c628afaf72d4d43012f817 [0,1,0,1,0,0|2,0,0]=4 17403 B11R1.233 CCCN[C@@H]1CCC[C@@]1(C)O f77f495705152282870eef75ccd6d503 [0,1,0,1,0,0|2,0,0]=4 17404 B11R1.233 CCCN[C@H]1CCC[C@]1(C)O ecb4f2c5f4fbf9c549c5b8d3e3cbda1e [0,1,0,1,0,0|2,0,0]=4 17405 B11R1.233 CCCOC1CCCC1(C)C f7e1582c95befdd40bc0abe86cdd000a [0,1,0,1,0,0|2,0,0]=4 17406 B11R1.233 CCCO[C@@H]1CCCC1(C)C 98ccee1aafaee64d71d8fdde27ba75aa [0,1,0,1,0,0|2,0,0]=4 17407 B11R1.233 CCCO[C@H]1CCCC1(C)C 6a2b38f24fa21bb59f0dc25a1f0508cc [0,1,0,1,0,0|2,0,0]=4 17408 B11R1.233 COCCN1CCCC1(C)C 0bb76f0ff419c3216858d9bcdc0a4cc6 [0,1,0,1,0,0|2,0,0]=4 17409 B11R1.233 CSCCN1CCCC1(C)C 2381e71cc736e5f52f7b8c34fe11798a [0,1,0,1,0,0|2,0,0]=4 17410 B11R1.241 CC(C)CCN[C@@H]1C[C@H]1CO 8174eacd55fe59fd15ce7ac3aeeee5ed [0,1,0,1,0,0|2,0,0]=4 17411 B11R1.241 CC(C)CCN[C@H]1C[C@@H]1CO e133f3f5beef05cf27707075055bec73 [0,1,0,1,0,0|2,0,0]=4 17412 B11R1.241 CC(C)CCN[C@H]1C[C@H]1CO 8c7585f55da515e31e71ded731e8ff34 [0,1,0,1,0,0|2,0,0]=4 17413 B11R1.241 CC(C)CCOC1CC1C=O 5257a020df1b804b8c7a12914c290c12 [0,1,0,1,0,0|1,0,1]=4 17414 B11R1.241 CC(O)CCN[C@@H]1C[C@H]1CO dfd404a03f4bfd441abf1aa1bb4d32a0 [0,1,0,1,0,0|2,0,0]=4 17415 B11R1.241 CC(O)CCN[C@H]1C[C@@H]1CO cb23cdb767d9268639e704db9a3b3fbe [0,1,0,1,0,0|2,0,0]=4 17416 B11R1.241 CC(O)CCN[C@H]1C[C@H]1CO 5ea241cb8359822ce3c8f73f5bdd46a1 [0,1,0,1,0,0|2,0,0]=4 17417 B11R1.241 CO[C@H]1C[C@H]1NCCC(C)C 9c802fec98b4257fcc91d4e5389331f6 [0,1,0,1,0,0|2,0,0]=4 17418 B11R1.241 CO[C@H]1C[C@H]1NCCC(C)O 10c57b0a6ae3927767bdec036d922403 [0,1,0,1,0,0|2,0,0]=4 17419 B11R1.271 C=C(C)CCN1CCC1CC dbb67581fc466057b880620209d14e8c [0,1,0,1,0,0|1,0,1]=4 17420 B11R1.271 CC(C)CCN1CCC1CO fa94be22086457dd2026fc5fe44577dc [0,1,0,1,0,0|2,0,0]=4 17421 B11R1.271 CC(C)CCN1CC[C@@H]1CO 5efdf86978b5a30badd034c78399f533 [0,1,0,1,0,0|2,0,0]=4 17422 B11R1.271 CC(C)CCN1CC[C@H]1CO ec5149fcbd0a3c3b85cb23ebfc662976 [0,1,0,1,0,0|2,0,0]=4 17423 B11R1.271 CC(O)CCN1CCC1CO 9b70c9874f26f7c4dffe7c3c14d2052a [0,1,0,1,0,0|2,0,0]=4 17424 B11R1.271 CC(O)CCN1CC[C@@H]1CO 5109dc30cf74638c8c3163958796b503 [0,1,0,1,0,0|2,0,0]=4 17425 B11R1.271 CC(O)CCN1CC[C@H]1CO 7899866ae50a5e0de86069f89e637505 [0,1,0,1,0,0|2,0,0]=4 17426 B11R1.271 CCC1CCN1CCC(=O)C 2eb3d64a6424be11c57adb2d9d33c690 [0,1,0,1,0,0|1,0,1]=4 17427 B11R1.271 CCC1CCN1CCC(C)C 45627f3543da9e98f9eab5482f60e24a [0,1,0,1,0,0|1,0,0]=3 17428 B11R1.271 CCC1CCN1CCC(C)O 3965e5badc1f26a1ed1c0eee323b10c8 [0,1,0,1,0,0|1,0,0]=3 17429 B11R1.271 CCC1CCN1CCN(C)C 61e627ae401d5edc9dba877dc4051045 [0,1,0,1,0,0|2,0,0]=4 17430 B11R1.271 CCC1CCN1CCS(=O)C 14bc6923e31177127ed79622eefd9984 [0,1,0,1,0,0|2,0,0]=4 17431 B11R1.271 CCC1CCN1COC(C)C a80c79184d5e049c3a86b99ffe06bf6e [0,1,0,1,0,0|2,0,0]=4 17432 B11R1.335 C#CCCOC1CCC1(C)C 4f71c1a621e20f9914a890e98e0ef38d [0,1,0,1,0,0|0,0,2]=4 17433 B11R1.335 C/C=C/COC1CCC1(C)C bad1014e63d66282e041657f4b21eac0 [0,1,0,1,0,0|0,0,2]=4 17434 B11R1.335 C/C=C\COC1CCC1(C)C c753959fd925183ba6047004255be0f1 [0,1,0,1,0,0|0,0,2]=4 17435 B11R1.335 C=CCCOC1CCC1(C)C c4e324147d2b7ce3ed2ab96857f2293b [0,1,0,1,0,0|0,0,2]=4 17436 B11R1.335 CC1(CCC1OCCC#N)C 54a7d0cd30d5b2fc8da6633f1004186e [0,1,0,1,0,0|1,0,1]=4 17437 B11R1.335 CC1(CCC1OCCC=O)C b6eb2f35cd58deb4278ff6f933c1a42b [0,1,0,1,0,0|1,0,1]=4 17438 B11R1.335 CC1(CCC1OCCCF)C 36bc29f274a352f308807a51a78b5be3 [0,1,0,1,0,0|1,0,0]=3 17439 B11R1.335 CC1(CCC1OCCCS)C fee1d8fbc8e94061310c93a4fbeb066e [0,1,0,1,0,0|1,0,0]=3 17440 B11R1.335 CC1(OCC1OCCCF)C c2d8e0f91352a39288b29c4eeac0d4a9 [0,1,0,1,0,0|2,0,0]=4 17441 B11R1.335 CC1(OCC1OCCCS)C 05267b4138a87a10a0469bc915ca8274 [0,1,0,1,0,0|2,0,0]=4 17442 B11R1.335 CCCCNC1CCC1(F)F 4460afcc6e0c00e192b6c8ce5293b085 [0,1,0,1,0,0|2,0,0]=4 17443 B11R1.335 CCCCNC1COC1(C)C 7794eb62e382dd6fee71b6cd84050a9e [0,1,0,1,0,0|2,0,0]=4 17444 B11R1.335 CCCCOC1CCC1(C)C b9b86d7f93885bb14b1cbe0a8f750f52 [0,1,0,1,0,0|0,0,0]=2 17445 B11R1.335 CCCCOC1CCC1(F)F aeac994bac4a02abc95b6cf6d484a821 [0,1,0,1,0,0|1,0,0]=3 17446 B11R1.335 CCCCOC1COC1(C)C 15e5334a17adb27568183871b69a71e1 [0,1,0,1,0,0|1,0,0]=3 17447 B11R1.335 CCOCOC1CCC1(C)C 106294a7ea6a2253bae26b2bf32dc327 [0,1,0,1,0,0|1,0,0]=3 17448 B11R1.335 CCOCOC1CCC1(F)F 5701c59a8aae659678e16b157601ee9a [0,1,0,1,0,0|2,0,0]=4 17449 B11R1.335 CCOCOC1COC1(C)C d1244081b65c3d952e308e96be7e0bad [0,1,0,1,0,0|2,0,0]=4 17450 B11R1.335 COCCOC1CCC1(C)C 1051acc548b5c6e2610ab23aab0411d2 [0,1,0,1,0,0|1,0,0]=3 17451 B11R1.335 COCCOC1CCC1(F)F bfaec51d5bdb640cc778b211a1fbeefe [0,1,0,1,0,0|2,0,0]=4 17452 B11R1.335 COCCOC1COC1(C)C a0c603f9abd84e805b2a4b4fe56fb723 [0,1,0,1,0,0|2,0,0]=4 17453 B11R1.335 CSCCOC1CCC1(C)C 3e6c99d1454ce3c5462035a928b47fd0 [0,1,0,1,0,0|1,0,0]=3 17454 B11R1.335 CSCCOC1CCC1(F)F abf6d2b6cd955d92b1176df41b381c39 [0,1,0,1,0,0|2,0,0]=4 17455 B11R1.335 CSCCOC1COC1(C)C 51d45143ec5da6b469d65b0b84cb3cd6 [0,1,0,1,0,0|2,0,0]=4 17456 B11R1.335 FC1(CCC1OCCCS)F 7f90ae45a5bfa6b15b5ed60ce01126fe [0,1,0,1,0,0|2,0,0]=4 17457 B11R1.335 FCCCOC1CCC1(F)F 5b67c7044f6819578cf1f99ce74eac9b [0,1,0,1,0,0|2,0,0]=4 17458 B11R1.706 CC(C)N1CCCCCCC1 55bfc930502299d9c5afd3aed373b259 [0,1,0,1,0,0|2,0,0]=4 17459 B11R1.742 CC(C)CN1CCCCCC1 bddcfb09854b53e7398a70fcbd7adc6c [0,1,0,1,0,0|2,0,0]=4 17460 B11R1.742 CC(C)NC1CCCCCC1 e2c3ba367683d489f8b42fe23c91b490 [0,1,0,1,0,0|2,0,0]=4 17461 B11R1.742 CC(C)OC1CCCCCC1 49cd74212008956419b032828c1aeb5a [0,1,0,1,0,0|2,0,0]=4 17462 B11R1.742 CC(C)OC1COCCOC1 c53dd362a98553616f5da37f1eb2bb74 [0,1,0,1,0,0|2,0,0]=4 17463 B11R1.742 CC(O)CN1CCCCCC1 498903f6d699cdaa1a577d829993a3fc [0,1,0,1,0,0|2,0,0]=4 17464 B11R1.742 C[C@@H](O)CN1CCCCCC1 ba89f8f9782a716134051a422cfdfc47 [0,1,0,1,0,0|2,0,0]=4 17465 B11R1.742 C[C@H](O)CN1CCCCCC1 4c725979e3b71bae8b90837911fd64ef [0,1,0,1,0,0|2,0,0]=4 17466 B11R1.753 CCCCO[C@@H]1C[C@@H]1C(=O)O 662037177b8dfc58b8c695dacf12fa4f [0,1,0,1,0,0|1,0,1]=4 17467 B11R1.753 CCCCO[C@H]1C[C@@H]1C(=O)O bdee004caa1db9cfdd5e5cca38f9113c [0,1,0,1,0,0|1,0,1]=4 17468 B11R1.753 CCCCO[C@H]1C[C@H]1C(=O)O 2c0fe3d19e438fbe43fd102329f11d10 [0,1,0,1,0,0|1,0,1]=4 17469 B11R1.898 C#CCCCOC1CC1(C)C a340c2f62c65deb4c2094e8f366d5a31 [0,1,0,1,0,0|0,0,2]=4 17470 B11R1.898 C#CCCOCC1CC1(C)C 096704d86472f8dec325c6aec789ffcc [0,1,0,1,0,0|0,0,2]=4 17471 B11R1.898 C#CCCOC[C@@H]1CC1(C)C e34be545d5cc43fecd4781005f6b29e3 [0,1,0,1,0,0|0,0,2]=4 17472 B11R1.898 C#CCCOC[C@H]1CC1(C)C ef86547d57d995c7e8fc4af8101af186 [0,1,0,1,0,0|0,0,2]=4 17473 B11R1.898 C/C=C/CCOC1CC1(C)C 7370085bae27e22ff846e0e7cadc2a12 [0,1,0,1,0,0|0,0,2]=4 17474 B11R1.898 C/C=C/COCC1CC1(C)C 879a3afd619fce842d8563e0ee44f46b [0,1,0,1,0,0|0,0,2]=4 17475 B11R1.898 C/C=C/COC[C@@H]1CC1(C)C 45907f028e65a20d045369674d5785b9 [0,1,0,1,0,0|0,0,2]=4 17476 B11R1.898 C/C=C/COC[C@H]1CC1(C)C 44c3ff0f7ad0f5a9bd5a2b817ade18d8 [0,1,0,1,0,0|0,0,2]=4 17477 B11R1.898 C/C=C\COCC1CC1(C)C b0fb4baf6c77691534f51df3b348d2fe [0,1,0,1,0,0|0,0,2]=4 17478 B11R1.898 C/C=C\COC[C@@H]1CC1(C)C 8f7dcf23125b6a2100488dd31701d1c0 [0,1,0,1,0,0|0,0,2]=4 17479 B11R1.898 C/C=C\COC[C@H]1CC1(C)C 7d3b292370e5a640206244aafaf397a7 [0,1,0,1,0,0|0,0,2]=4 17480 B11R1.898 C=CCCCOC1CC1(C)C 2f3e7fc3f5d51a67362f9e8e4c9a01ff [0,1,0,1,0,0|0,0,2]=4 17481 B11R1.898 C=CCCOCC1CC1(C)C 21f045dc73e0b24dfb3f4b06ac689ea8 [0,1,0,1,0,0|0,0,2]=4 17482 B11R1.898 C=CCCOC[C@@H]1CC1(C)C c4cb4e2bd98a7c3102f51aee77dc2924 [0,1,0,1,0,0|0,0,2]=4 17483 B11R1.898 C=CCCOC[C@H]1CC1(C)C 02255c3a608d0e1690d0978f7fedf383 [0,1,0,1,0,0|0,0,2]=4 17484 B11R1.898 CC#CCCOC1CC1(C)C c7645d1308839ae5a3b56ac50041946c [0,1,0,1,0,0|0,0,2]=4 17485 B11R1.898 CC/C=C/COC1CC1(C)C 2560b0f46eaa8eedb1a2b6e9c19ea240 [0,1,0,1,0,0|0,0,2]=4 17486 B11R1.898 CC/C=C\COC1CC1(C)C dd1004436755bf148140c66e1470ef30 [0,1,0,1,0,0|0,0,2]=4 17487 B11R1.898 CC1(CC1COCCC#N)C c8718cd8dea87972391718cbc55203f2 [0,1,0,1,0,0|1,0,1]=4 17488 B11R1.898 CC1(CC1COCCC=O)C df39874d65500206e303950349b552a2 [0,1,0,1,0,0|1,0,1]=4 17489 B11R1.898 CC1(CC1COCCCF)C 381562dbf677cee1fe7208fb48d0e5a8 [0,1,0,1,0,0|1,0,0]=3 17490 B11R1.898 CC1(CC1COCCCS)C f24a0f565315ee5999f8eee149632e8e [0,1,0,1,0,0|1,0,0]=3 17491 B11R1.898 CC1(CC1NCCCCCl)C e00ac173bb2b54acb4800761b4f2357b [0,1,0,1,0,0|2,0,0]=4 17492 B11R1.898 CC1(CC1NCCCCF)C 3e7436a6ba8c64c8dabaac8312dfb59e [0,1,0,1,0,0|2,0,0]=4 17493 B11R1.898 CC1(CC1NCCCCO)C 97835040c2571aab2dea62482e58e301 [0,1,0,1,0,0|2,0,0]=4 17494 B11R1.898 CC1(CC1NCCCCS)C 0a0bd40a76218a1eec10c635f8db7a2a [0,1,0,1,0,0|2,0,0]=4 17495 B11R1.898 CC1(CC1OCCCC#N)C 03dbaf1a8a69a7d6739e131edfd9a6ef [0,1,0,1,0,0|1,0,1]=4 17496 B11R1.898 CC1(CC1OCCCC=O)C 3ca667d8ff8d96365481a260b3fbda2d [0,1,0,1,0,0|1,0,1]=4 17497 B11R1.898 CC1(CC1OCCCCF)C ecbfff09d6abc858ae513b81e918c52a [0,1,0,1,0,0|1,0,0]=3 17498 B11R1.898 CC1(CC1OCCCCS)C 28dec99ef4722d5cfab91b7a3bdad890 [0,1,0,1,0,0|1,0,0]=3 17499 B11R1.898 CC1(C[C@@H]1CNCCCF)C ed0900d18bbe4c8abefce13c85937ae2 [0,1,0,1,0,0|2,0,0]=4 17500 B11R1.898 CC1(C[C@@H]1CNCCCO)C 623f2f9e87c89abeffc2867aabdd02b5 [0,1,0,1,0,0|2,0,0]=4 17501 B11R1.898 CC1(C[C@@H]1CNCCCS)C d9ab1e9a7aa7b8bd153a72ed601bfb11 [0,1,0,1,0,0|2,0,0]=4 17502 B11R1.898 CC1(C[C@@H]1COCCC#N)C 5d802a273e92cba4e118b4a1c0342eae [0,1,0,1,0,0|1,0,1]=4 17503 B11R1.898 CC1(C[C@@H]1COCCC=O)C 6690fff2b8282824aa92c5768bfe35ab [0,1,0,1,0,0|1,0,1]=4 17504 B11R1.898 CC1(C[C@@H]1COCCCF)C 6dadc888debe8e91cefe757583dc8d34 [0,1,0,1,0,0|1,0,0]=3 17505 B11R1.898 CC1(C[C@@H]1COCCCS)C 09bc8ece4661ac440c9d2ff25fe14d34 [0,1,0,1,0,0|1,0,0]=3 17506 B11R1.898 CC1(C[C@@H]1NCCCCF)C e431bf947262400a9a45f1f9430d2bf6 [0,1,0,1,0,0|2,0,0]=4 17507 B11R1.898 CC1(C[C@@H]1NCCCCO)C 6b4eb74e2a043750fea4537e28d381be [0,1,0,1,0,0|2,0,0]=4 17508 B11R1.898 CC1(C[C@H]1CNCCCF)C 4afb496c399fd1e39fe929e81afc8f73 [0,1,0,1,0,0|2,0,0]=4 17509 B11R1.898 CC1(C[C@H]1CNCCCO)C 1673a7303a77cb834c77079a69c5353f [0,1,0,1,0,0|2,0,0]=4 17510 B11R1.898 CC1(C[C@H]1CNCCCS)C 1d362c572fb62e36d4a8b9191765d1b3 [0,1,0,1,0,0|2,0,0]=4 17511 B11R1.898 CC1(C[C@H]1COCCC#N)C 25a730d78f4e3923306675409390d6f1 [0,1,0,1,0,0|1,0,1]=4 17512 B11R1.898 CC1(C[C@H]1COCCC=O)C 6289261d7762a0ea634785338f7454e4 [0,1,0,1,0,0|1,0,1]=4 17513 B11R1.898 CC1(C[C@H]1COCCCF)C 2c8176d52e3a9f60223167b7defae841 [0,1,0,1,0,0|1,0,0]=3 17514 B11R1.898 CC1(C[C@H]1COCCCS)C b756f5e856428ed1f24b117db0403803 [0,1,0,1,0,0|1,0,0]=3 17515 B11R1.898 CC1(C[C@H]1NCCCCF)C 915ff4ea3f6fb371f173a086cc000734 [0,1,0,1,0,0|2,0,0]=4 17516 B11R1.898 CC1(C[C@H]1NCCCCO)C 0c0b2df381301069d007ee24ceefb0e0 [0,1,0,1,0,0|2,0,0]=4 17517 B11R1.898 CCC#CCOC1CC1(C)C 6ec2f2c3818a6a3ee4e6a63fc7acd2fa [0,1,0,1,0,0|0,0,2]=4 17518 B11R1.898 CCCCCCN1CC1(C)C 1fb34701b9a7d2bd077c9b54f3ccbef5 [0,1,0,1,0,0|2,0,0]=4 17519 B11R1.898 CCCCCNC1CC1(C)C 3e13bc2a42c30acc08adb97c52f3f541 [0,1,0,1,0,0|1,0,0]=3 17520 B11R1.898 CCCCCNC1CC1(F)F ce26c77dba8502bcbd6e6cfe6c75f394 [0,1,0,1,0,0|2,0,0]=4 17521 B11R1.898 CCCCCN[C@@H]1CC1(C)C d2428c7a21acd9594a665e1567b2d2c5 [0,1,0,1,0,0|1,0,0]=3 17522 B11R1.898 CCCCCN[C@H]1CC1(C)C 1518a64eab625b5570e7cb1ddafcba2f [0,1,0,1,0,0|1,0,0]=3 17523 B11R1.898 CCCCCOC1CC1(C)C d3ba7240160ce1e50845c5e12196a921 [0,1,0,1,0,0|0,0,0]=2 17524 B11R1.898 CCCCCOC1CC1(F)F 1e155acfeb0026290598a115f0a9e632 [0,1,0,1,0,0|1,0,0]=3 17525 B11R1.898 CCCCNCC1CC1(F)F cc4bc780ae9d7352b77638ba87f447a7 [0,1,0,1,0,0|2,0,0]=4 17526 B11R1.898 CCCCNC[C@@H]1CC1(C)C adc941cee2ee997af3320aa48b3f052a [0,1,0,1,0,0|1,0,0]=3 17527 B11R1.898 CCCCNC[C@H]1CC1(C)C f0be37d02517f8135e37ca98baa55cf8 [0,1,0,1,0,0|1,0,0]=3 17528 B11R1.898 CCCCNC[C@H]1CC1(F)F b58fd3577180984d87f922eacb144038 [0,1,0,1,0,0|2,0,0]=4 17529 B11R1.898 CCCCOCC1CC1(C)C 8633d552a655192c6b790389a09f5421 [0,1,0,1,0,0|0,0,0]=2 17530 B11R1.898 CCCCOCC1CC1(F)F 5af2ba233b1837b35d5e0be86ed9e14a [0,1,0,1,0,0|1,0,0]=3 17531 B11R1.898 CCCCOCN1CC1(C)C e70b9ab0fd6ac2485ed55fa03e228849 [0,1,0,1,0,0|1,0,0]=3 17532 B11R1.898 CCCCOC[C@@H]1CC1(C)C 532553fbca6e02b5ed7f47a62d9c873a [0,1,0,1,0,0|0,0,0]=2 17533 B11R1.898 CCCCOC[C@@H]1CC1(F)F 10d42f7ab385a2cbaf8b08892b11a503 [0,1,0,1,0,0|1,0,0]=3 17534 B11R1.898 CCCCOC[C@H]1CC1(C)C 7bc9be9cb19bcf23c5a89e9b4ba35d93 [0,1,0,1,0,0|0,0,0]=2 17535 B11R1.898 CCCCOC[C@H]1CC1(F)F 45b4c13f1deb34eceeff2063e443855b [0,1,0,1,0,0|1,0,0]=3 17536 B11R1.898 CCOCCNC1CC1(C)C a07a58e2f887753c5e53395dc6c18627 [0,1,0,1,0,0|2,0,0]=4 17537 B11R1.898 CCOCCN[C@@H]1CC1(C)C f49eab55ab1e731878578b1538d60413 [0,1,0,1,0,0|2,0,0]=4 17538 B11R1.898 CCOCCN[C@H]1CC1(C)C 8978d93426d69b60b7b2c0eef9ee85b2 [0,1,0,1,0,0|2,0,0]=4 17539 B11R1.898 CCOCCOC1CC1(C)C 5fa8949b250b391c22d3263da897089e [0,1,0,1,0,0|1,0,0]=3 17540 B11R1.898 CCOCCOC1CC1(F)F 762c0746bed36fd255618172948738da [0,1,0,1,0,0|2,0,0]=4 17541 B11R1.898 CCOCNC[C@@H]1CC1(C)C 023b9cf6dbb267e58926a9f4e9590bb1 [0,1,0,1,0,0|2,0,0]=4 17542 B11R1.898 CCOCNC[C@H]1CC1(C)C e68cbb2969c7981d35b3feeb7d4c4327 [0,1,0,1,0,0|2,0,0]=4 17543 B11R1.898 CCOCOCC1CC1(C)C 34ff8c7628044b7bccf06c080b99c607 [0,1,0,1,0,0|1,0,0]=3 17544 B11R1.898 CCOCOCC1CC1(F)F a24c42fe91482619941f8e0a0f6b96be [0,1,0,1,0,0|2,0,0]=4 17545 B11R1.898 CCOCOC[C@@H]1CC1(C)C facdfcec788fcbbb35cf246477a9eda3 [0,1,0,1,0,0|1,0,0]=3 17546 B11R1.898 CCOCOC[C@@H]1CC1(F)F e5f95d67a5baf25e1b771be51ad6ddfd [0,1,0,1,0,0|2,0,0]=4 17547 B11R1.898 CCOCOC[C@H]1CC1(C)C 72bf75f594727ec5fa7d2c6e756d1ae5 [0,1,0,1,0,0|1,0,0]=3 17548 B11R1.898 CCOCOC[C@H]1CC1(F)F 18d4e9846afc00c989085c5e14da9430 [0,1,0,1,0,0|2,0,0]=4 17549 B11R1.898 CCSCCNC1CC1(C)C 1ac05c6b668890ea040186238e8e58b2 [0,1,0,1,0,0|2,0,0]=4 17550 B11R1.898 CCSCCN[C@@H]1CC1(C)C 84b4b8a70469ecc54b3b2a15ea962193 [0,1,0,1,0,0|2,0,0]=4 17551 B11R1.898 CCSCCN[C@H]1CC1(C)C 865911003f795ec5b296683af685fd67 [0,1,0,1,0,0|2,0,0]=4 17552 B11R1.898 CCSCCOC1CC1(C)C 82b316f2f84872908278c24fd748349a [0,1,0,1,0,0|1,0,0]=3 17553 B11R1.898 CCSCCOC1CC1(F)F 3d16e82ff3f0cfdd3242522b1d4d8f6b [0,1,0,1,0,0|2,0,0]=4 17554 B11R1.898 COCCCNC1CC1(C)C e22bd14647119d0a87c77839c596d458 [0,1,0,1,0,0|2,0,0]=4 17555 B11R1.898 COCCCN[C@@H]1CC1(C)C 1c76d1a1e99fce819567b82ecd3509e0 [0,1,0,1,0,0|2,0,0]=4 17556 B11R1.898 COCCCN[C@H]1CC1(C)C 2788fe519e24c5f35ca1130c650f8e82 [0,1,0,1,0,0|2,0,0]=4 17557 B11R1.898 COCCCOC1CC1(C)C a20540c41337a61ac5822a372efe83bc [0,1,0,1,0,0|1,0,0]=3 17558 B11R1.898 COCCCOC1CC1(F)F 2aee2e1e010c15adf82e442f64fc25b1 [0,1,0,1,0,0|2,0,0]=4 17559 B11R1.898 COCCNC[C@@H]1CC1(C)C 094ca9d3877d91a5004972988722064b [0,1,0,1,0,0|2,0,0]=4 17560 B11R1.898 COCCNC[C@H]1CC1(C)C 6dab3b7b15c337ce16fbd4e7ce34d78b [0,1,0,1,0,0|2,0,0]=4 17561 B11R1.898 COCCOCC1CC1(C)C dc1c12f76532a38eec19bd798704ceb7 [0,1,0,1,0,0|1,0,0]=3 17562 B11R1.898 COCCOCC1CC1(F)F 8bf040428f49e4a416244108e23a03fb [0,1,0,1,0,0|2,0,0]=4 17563 B11R1.898 COCCOCN1CC1(C)C 9829fd64ce11e3bb6404883bb6f046a3 [0,1,0,1,0,0|2,0,0]=4 17564 B11R1.898 COCCOC[C@@H]1CC1(C)C 428f48b21d5ea7867b2286c161308ec7 [0,1,0,1,0,0|1,0,0]=3 17565 B11R1.898 COCCOC[C@@H]1CC1(F)F 2d125429919e31eb40c28d9e587a0c5c [0,1,0,1,0,0|2,0,0]=4 17566 B11R1.898 COCCOC[C@H]1CC1(C)C fc6ccd73ec499fb8d022c8ceae12d422 [0,1,0,1,0,0|1,0,0]=3 17567 B11R1.898 COCCOC[C@H]1CC1(F)F 93c191910b5172de557326097af2c5da [0,1,0,1,0,0|2,0,0]=4 17568 B11R1.898 CSCCCNC1CC1(C)C e0c758baf25d31d06939bf70bb5f8c2a [0,1,0,1,0,0|2,0,0]=4 17569 B11R1.898 CSCCCN[C@@H]1CC1(C)C 9ef2134003601a776426eac1ced6b24c [0,1,0,1,0,0|2,0,0]=4 17570 B11R1.898 CSCCCN[C@H]1CC1(C)C 34e17851057c5b827a3e562729fba28b [0,1,0,1,0,0|2,0,0]=4 17571 B11R1.898 CSCCCOC1CC1(C)C 9b6d735c8549c15c64987ad862d92ff4 [0,1,0,1,0,0|1,0,0]=3 17572 B11R1.898 CSCCCOC1CC1(F)F 7aee01d058acb158456ef2cc465f3065 [0,1,0,1,0,0|2,0,0]=4 17573 B11R1.898 CSCCNC[C@@H]1CC1(C)C a473aa3fe338b32f6574a111a273422f [0,1,0,1,0,0|2,0,0]=4 17574 B11R1.898 CSCCNC[C@H]1CC1(C)C 88142a39fea52e1b785bbe55824713a1 [0,1,0,1,0,0|2,0,0]=4 17575 B11R1.898 CSCCOCC1CC1(C)C e48f8a078bc05e0e38d716fae1e4851b [0,1,0,1,0,0|1,0,0]=3 17576 B11R1.898 CSCCOCC1CC1(F)F d8ba2051bb43ed2661cfe42fe0c9e226 [0,1,0,1,0,0|2,0,0]=4 17577 B11R1.898 CSCCOC[C@@H]1CC1(C)C d823e9196b6359af08668db177461c86 [0,1,0,1,0,0|1,0,0]=3 17578 B11R1.898 CSCCOC[C@@H]1CC1(F)F 224ceec3acbe89ad85c1ae275e677650 [0,1,0,1,0,0|2,0,0]=4 17579 B11R1.898 CSCCOC[C@H]1CC1(C)C a4d584fc4fe3001dc9d3a965995d20f1 [0,1,0,1,0,0|1,0,0]=3 17580 B11R1.898 CSCCOC[C@H]1CC1(F)F 17b9a53d6baf643bb57822813078661c [0,1,0,1,0,0|2,0,0]=4 17581 B11R1.898 FC1(CC1COCCCS)F 858192be9d503b9fb5f085c44949479a [0,1,0,1,0,0|2,0,0]=4 17582 B11R1.898 FC1(CC1OCCCCS)F 3747d2349def6977526b1c369c890c62 [0,1,0,1,0,0|2,0,0]=4 17583 B11R1.898 FC1(C[C@@H]1COCCCS)F 2c675c10705aeb0ebf07cef944794241 [0,1,0,1,0,0|2,0,0]=4 17584 B11R1.898 FC1(C[C@H]1COCCCS)F 97cc7ab018f1040ff999a5e523edc733 [0,1,0,1,0,0|2,0,0]=4 17585 B11R1.898 FCCCCOC1CC1(F)F d6ef4bdfdddc4c0fc5cc68f55c9ca62b [0,1,0,1,0,0|2,0,0]=4 17586 B11R1.898 FCCCOCC1CC1(F)F 64d505a3dbc5b49496f68e202de381a2 [0,1,0,1,0,0|2,0,0]=4 17587 B11R1.898 FCCCOC[C@@H]1CC1(F)F 231f3db5b69f35924891ca2fdb7c5fa7 [0,1,0,1,0,0|2,0,0]=4 17588 B11R1.898 FCCCOC[C@H]1CC1(F)F ede3bd6b26d46701d9504b6caa2b0e81 [0,1,0,1,0,0|2,0,0]=4 17589 B11R1.5 C#CCN1CCOCCC1C 32d4955e90b527f8f079dc649db1586f [0,1,0,1,0,0|0,0,2]=4 17590 B11R1.5 C=CCN1CCOCCC1C b2025566aa3616ae505463e44010ceec [0,1,0,1,0,0|0,0,2]=4 17591 B11R1.5 CC1CCCCCN1CCF 4c60149b0b9ff1ad26c5d9406ceba8c9 [0,1,0,1,0,0|2,0,0]=4 17592 B11R1.5 CC1CCCCCN1CCO 057c6b87b8285708a5579f8fa31ee9f9 [0,1,0,1,0,0|2,0,0]=4 17593 B11R1.5 CC1CCCCCN1CCS 19f293bbc2a0a5b26587ad161f76dfd5 [0,1,0,1,0,0|2,0,0]=4 17594 B11R1.5 CC1CCOCCN1CC#N c05a24939ec09b308434a093f0cc0494 [0,1,0,1,0,0|1,0,1]=4 17595 B11R1.5 CC1CCOCCN1CC=O eb6d9a133a77613d7cb3a1afb4104676 [0,1,0,1,0,0|1,0,1]=4 17596 B11R1.5 CC1CCOCCN1CCF a417116d98c35fa01fc81aacab9a9b8d [0,1,0,1,0,0|1,0,0]=3 17597 B11R1.5 CC1CCOCCN1CCO 9e3edc5c88838dd82b88274a1b534396 [0,1,0,1,0,0|1,0,0]=3 17598 B11R1.5 CC1CCOCCN1CCS bd1e2e74f86b80fd2a62d088736fe2c8 [0,1,0,1,0,0|1,0,0]=3 17599 B11R1.5 CC1CCSCCN1CCF 88f6ba105d690cd3c043ce3dc2b2df3c [0,1,0,1,0,0|1,1,0]=4 17600 B11R1.5 CC1CCSCCN1CCO 58dffc6d64aacd2133fce4951ab0587c [0,1,0,1,0,0|1,1,0]=4 17601 B11R1.5 CC1CCSCCN1CCS 94972d37e17454348cff5c3846dc5e57 [0,1,0,1,0,0|1,1,0]=4 17602 B11R1.5 CCCN1CCCCCC1C 29918e7d6c2ed7cbd3b8be71c6bc41c1 [0,1,0,1,0,0|1,0,0]=3 17603 B11R1.5 CCCN1CCCOCC1C 9066758650d47213110c3c8ade69bf24 [0,1,0,1,0,0|2,0,0]=4 17604 B11R1.5 CCCN1CCOCCC1C 65997e4e85b8afd2bfa6b21d0e681755 [0,1,0,1,0,0|0,0,0]=2 17605 B11R1.5 CCCN1CCSCCC1C d8d08f9f316904305475d3dfeaa43ce6 [0,1,0,1,0,0|0,1,0]=3 17606 B11R1.5 CCN[C@@H]1CCCCC[C@@H]1O deb26c7299ed6334e1a991f54447a9c5 [0,1,0,1,0,0|2,0,0]=4 17607 B11R1.5 CCN[C@@H]1CCCCC[C@H]1O 713169aeab8b05177be1f53d96a8599b [0,1,0,1,0,0|2,0,0]=4 17608 B11R1.5 CCN[C@H]1CCCCC[C@@H]1O 9b966678bef528ff6940b725ce3b16fe [0,1,0,1,0,0|2,0,0]=4 17609 B11R1.5 CCOC1CCCCCC1=O 6f512a9e711095b873eeb84a2a48b1a3 [0,1,0,1,0,0|2,0,0]=4 17610 B11R1.5 COCN1CCCCCC1C 4fb795b9e6471664971070101f1b3290 [0,1,0,1,0,0|2,0,0]=4 17611 B11R1.5 COCN1CCOCCC1C fdf6679a85b11f3e710252673fd6d5f2 [0,1,0,1,0,0|1,0,0]=3 17612 B11R1.5 COCN1CCSCCC1C 21de9de4b3db46a38a44ec5aacbb0924 [0,1,0,1,0,0|1,1,0]=4 17613 B11R1.5 CSCN1CCCCCC1C d83541eaa17c0ab612bb7d014a466883 [0,1,0,1,0,0|2,0,0]=4 17614 B11R1.5 CSCN1CCOCCC1C 61d0069d751e92aea424eedd2ffef2f0 [0,1,0,1,0,0|1,0,0]=3 17615 B11R1.5 CSCN1CCSCCC1C 23c248df4b21489a1f9367a22448e971 [0,1,0,1,0,0|1,1,0]=4 17616 B11R1.17 CC1CCCCC1CNCF cbe7e08942f504db6ac88cc822fa0eb2 [0,1,0,1,0,0|2,0,0]=4 17617 B11R1.17 CC1CCCCC1CNCO 69775eb9e35ab19ef3c7f4c19248721e [0,1,0,1,0,0|2,0,0]=4 17618 B11R1.17 CC1CCCCC1NCCF 76b11e50787e0378c014cac27937e219 [0,1,0,1,0,0|2,0,0]=4 17619 B11R1.17 CC1CCCCC1NCCO 52c6ad311f6fad2268e1eda79c81b36a [0,1,0,1,0,0|2,0,0]=4 17620 B11R1.17 CC1CCCCC1NCCS 304aa6f0b749c17bf457e18174d7c518 [0,1,0,1,0,0|2,0,0]=4 17621 B11R1.17 CC1CCCCC1OCCF dbad73d99254e4ee3296ed6293b7e54b [0,1,0,1,0,0|2,0,0]=4 17622 B11R1.17 CC1CCCCC1OCCS 2590ec6e7649626e0ce7c7117fe9347e [0,1,0,1,0,0|2,0,0]=4 17623 B11R1.17 CC1CCCCN1CCCF 640bc7f1f987bc9986ab4a5c75f2e681 [0,1,0,1,0,0|2,0,0]=4 17624 B11R1.17 CC1CCCCN1CCCO a0173451728ed2077ecde1c84d76b55a [0,1,0,1,0,0|2,0,0]=4 17625 B11R1.17 CC1CCCCN1CCCS f4d961fab8ff02afbf77cda8cdc612a3 [0,1,0,1,0,0|2,0,0]=4 17626 B11R1.17 CC1COCCN1CCCF 74838faf83488013bbfaf0a67e20cebd [0,1,0,1,0,0|2,0,0]=4 17627 B11R1.17 CC1COCCN1CCCO b8ff556ac531d88b9932f234e1b7c62f [0,1,0,1,0,0|2,0,0]=4 17628 B11R1.17 CC1COCCN1CCCS 4807d6f3aa34166c7a7d2fc2f3dd161f [0,1,0,1,0,0|2,0,0]=4 17629 B11R1.17 CCCCN1CCCCC1C 83c4670684a1fe719987a5a81f008b63 [0,1,0,1,0,0|1,0,0]=3 17630 B11R1.17 CCCCN1CCCC[C@@H]1C 20ce0036f3189270a4c28fd97f80fe7c [0,1,0,1,0,0|1,0,0]=3 17631 B11R1.17 CCCCN1CCCC[C@H]1C 8f99e3e23714c78cfa0be5f1bf432828 [0,1,0,1,0,0|1,0,0]=3 17632 B11R1.17 CCCCN1CCOCC1C b332b43da124227592c1c6c71aeafe02 [0,1,0,1,0,0|1,0,0]=3 17633 B11R1.17 CCCCN1CCOC[C@@H]1C 09ae043fbeeaf348dc90e21afe8c0174 [0,1,0,1,0,0|1,0,0]=3 17634 B11R1.17 CCCCN1CCOC[C@H]1C fcb2a4ea95dc5b4db30ab40ca840789f [0,1,0,1,0,0|1,0,0]=3 17635 B11R1.17 CCCNC1CCCCC1=O 0cb59e2cec2f653dc474888b981af37e [0,1,0,1,0,0|2,0,0]=4 17636 B11R1.17 CCCNC1CCCCC1C bdb9b023308419a6bdd339eb4623faf7 [0,1,0,1,0,0|1,0,0]=3 17637 B11R1.17 CCCNC1CCCCC1F 58bf2dbb064449dd08e5c7d1ee873f6d [0,1,0,1,0,0|2,0,0]=4 17638 B11R1.17 CCCNC1CCCCC1O a7a69cea9f0e251081de7c555541f76e [0,1,0,1,0,0|2,0,0]=4 17639 B11R1.17 CCCNC1CCOCC1C 2c050665e71aa0c380b294751183834d [0,1,0,1,0,0|2,0,0]=4 17640 B11R1.17 CCCNC1COCCC1=O cc1336d3470e5f929ba83ad086081887 [0,1,0,1,0,0|1,0,1]=4 17641 B11R1.17 CCCN[C@@H]1CCCC[C@@H]1C 1317a9b9d1647bfa509f7e2a68369b53 [0,1,0,1,0,0|1,0,0]=3 17642 B11R1.17 CCCN[C@@H]1CCCC[C@H]1C fdeaf4479440c414ae221687ebf74d86 [0,1,0,1,0,0|1,0,0]=3 17643 B11R1.17 CCCN[C@@H]1CCCC[C@H]1O 305c976006d68d744857563374a03bf7 [0,1,0,1,0,0|2,0,0]=4 17644 B11R1.17 CCCN[C@@H]1CCOC[C@@H]1C 786a63f729a89b8944f5ddef06234b89 [0,1,0,1,0,0|2,0,0]=4 17645 B11R1.17 CCCN[C@@H]1COCC[C@@H]1O d848264cb0a3823322521eb24cd14e6f [0,1,0,1,0,0|1,0,0]=3 17646 B11R1.17 CCCN[C@@H]1COCC[C@H]1O 3411687d8eda56d1100ca805d52c5a8b [0,1,0,1,0,0|1,0,0]=3 17647 B11R1.17 CCCN[C@H]1CCCC[C@@H]1C a75070aed8e0fbb0e1d31ce9811b7104 [0,1,0,1,0,0|1,0,0]=3 17648 B11R1.17 CCCN[C@H]1CCCC[C@@H]1O d1feb4a032f6483fe5a8ed49ec4dc95c [0,1,0,1,0,0|2,0,0]=4 17649 B11R1.17 CCCN[C@H]1CCCC[C@H]1C 93523405ad8f6e38114baf82438de76c [0,1,0,1,0,0|1,0,0]=3 17650 B11R1.17 CCCN[C@H]1CCCC[C@H]1O daad993687adc821be8d24c275cce592 [0,1,0,1,0,0|2,0,0]=4 17651 B11R1.17 CCCN[C@H]1CCOC[C@H]1C 5c8a9835455078abf1738e8951b60026 [0,1,0,1,0,0|2,0,0]=4 17652 B11R1.17 CCCN[C@H]1COCC[C@@H]1O 57d7489b3ceb99b407c2678fff7a51ff [0,1,0,1,0,0|1,0,0]=3 17653 B11R1.17 CCCN[C@H]1COCC[C@H]1O 5661a32f0010058508c53c98761f370e [0,1,0,1,0,0|1,0,0]=3 17654 B11R1.17 CCCOC1CCCCC1=O e4c34c8c4ab210cd57a1a2afd505d7df [0,1,0,1,0,0|2,0,0]=4 17655 B11R1.17 CCCOC1CCCCC1C 4d0cd2cc86879eaea764a5e506032648 [0,1,0,1,0,0|1,0,0]=3 17656 B11R1.17 CCCOC1CCCCC1F 5b119750afb6113f1e64ad8ff5224643 [0,1,0,1,0,0|2,0,0]=4 17657 B11R1.17 CCCOC1CCOCC1C a9315ae61cb200edfb68f5861da04cab [0,1,0,1,0,0|2,0,0]=4 17658 B11R1.17 CCCOC1COCCC1=O 6e0c021772ee4b507917c743135eb078 [0,1,0,1,0,0|1,0,1]=4 17659 B11R1.17 CCCO[C@@H]1CCCC[C@@H]1C e7057264cfbad8629f9a4688e6a83d4f [0,1,0,1,0,0|1,0,0]=3 17660 B11R1.17 CCCO[C@@H]1CCCC[C@H]1F b046b599956a03824b30c58925a0f1ac [0,1,0,1,0,0|2,0,0]=4 17661 B11R1.17 CCCO[C@H]1CCCC[C@@H]1C 6243eb875afc5a9f4ff394ac6f43dee3 [0,1,0,1,0,0|1,0,0]=3 17662 B11R1.17 CCCO[C@H]1CCCC[C@H]1C 81c2b2c6a4f88908629c095bb85377dd [0,1,0,1,0,0|1,0,0]=3 17663 B11R1.17 CCNCC1CCCCC1C 3db2897bc02580041d74323dfcee9c77 [0,1,0,1,0,0|1,0,0]=3 17664 B11R1.17 CCNCC1CCCCC1O 6f9959cd04171fe590f2e6148374867d [0,1,0,1,0,0|2,0,0]=4 17665 B11R1.17 CCNCC1CCCCN1C 9b3b6b0ce9423edfcf46d5f6e8fcb5d8 [0,1,0,1,0,0|2,0,0]=4 17666 B11R1.17 CCNCC1COCCN1C b099599732cffc40a13a8fe2391ad81c [0,1,0,1,0,0|1,0,0]=3 17667 B11R1.17 CCNCC1CSCCC1O b11eaaf59b907a4c21682c90321b2474 [0,1,0,1,0,0|1,1,0]=4 17668 B11R1.17 CCNC[C@@H]1COCCN1C 1f061966dc2380df73e86b422049f7b9 [0,1,0,1,0,0|1,0,0]=3 17669 B11R1.17 CCOCC1CC=CCC1C b389310071e916b187a9cd494364b944 [0,1,0,1,0,0|1,0,1]=4 17670 B11R1.17 CCOCC1CCCCC1=O 1418121428d59b49fd9e78a21f140e3d [0,1,0,1,0,0|2,0,0]=4 17671 B11R1.17 CCOCC1CCCCN1C 8e8a56bfae80eacb06ce70cbd2978572 [0,1,0,1,0,0|2,0,0]=4 17672 B11R1.17 CCOCC1COCCN1C d4126af2c32638b89d2dc1b92b94e6a5 [0,1,0,1,0,0|1,0,0]=3 17673 B11R1.17 CCOCN1CCCCC1C 2a71a64337fff5a0e9115ec13f84cfda [0,1,0,1,0,0|2,0,0]=4 17674 B11R1.17 CCOCN1CCCC[C@@H]1C d200dca18d6cd57545248364d6503b5e [0,1,0,1,0,0|2,0,0]=4 17675 B11R1.17 CCOCN1CCCC[C@H]1C bd992d68022a5d86ce95cae6a61027b3 [0,1,0,1,0,0|2,0,0]=4 17676 B11R1.17 CCOCN1CCOCC1C 3ad91422dadb87c9cc5d4b9fbe5c4a9a [0,1,0,1,0,0|2,0,0]=4 17677 B11R1.17 CCOCN1CCOC[C@@H]1C 028365293124915ef92fae6aaeda2652 [0,1,0,1,0,0|2,0,0]=4 17678 B11R1.17 CCOCN1CCOC[C@H]1C 122a9e32aecedc8e43967d48cdc8535e [0,1,0,1,0,0|2,0,0]=4 17679 B11R1.17 CCOC[C@@H]1CCCCN1C cff92034da3e0c43ee3ae40113b0373d [0,1,0,1,0,0|2,0,0]=4 17680 B11R1.17 CCOC[C@@H]1COCCN1C 992f43c12e11ccd20742bd25cd632df9 [0,1,0,1,0,0|1,0,0]=3 17681 B11R1.17 CCOC[C@H]1CCCCN1C 81e8c9544a472aa4c574ca8fad79de10 [0,1,0,1,0,0|2,0,0]=4 17682 B11R1.17 CCOC[C@H]1COCCN1C 4e88e304eef98d1d11ebd87f50ade468 [0,1,0,1,0,0|1,0,0]=3 17683 B11R1.17 CN1CCOCC1CNCF 761da4c5ecd6c46611974a8ea6d7878a [0,1,0,1,0,0|2,0,0]=4 17684 B11R1.17 CN1CCOCC1CNCO 2f4fb3ae97eca63178705a0b0011fb00 [0,1,0,1,0,0|2,0,0]=4 17685 B11R1.17 CN1CCOCC1COCF 7f74d5031fddf84a3bc0fd6b8d67480c [0,1,0,1,0,0|2,0,0]=4 17686 B11R1.17 CN1CCOC[C@@H]1COCF 336e990a084a3616a7d5ec36c691d358 [0,1,0,1,0,0|2,0,0]=4 17687 B11R1.17 CN1CCOC[C@H]1CNCF 70dab5c3c889f31c6c0c8b43ba767490 [0,1,0,1,0,0|2,0,0]=4 17688 B11R1.17 CN1CCOC[C@H]1CNCO c685a62542434bdf52ea0f05e3843d5b [0,1,0,1,0,0|2,0,0]=4 17689 B11R1.17 CN1CCOC[C@H]1COCF c3c6af5ce63845097b6cc204ddc84eb1 [0,1,0,1,0,0|2,0,0]=4 17690 B11R1.17 COCCN1CCCCC1C 96ee899ad6e827c3482f3034cab85790 [0,1,0,1,0,0|2,0,0]=4 17691 B11R1.17 COCCN1CCCC[C@@H]1C f63ca5fd4ab428a98fdb4ca8b0d06fe8 [0,1,0,1,0,0|2,0,0]=4 17692 B11R1.17 COCCN1CCCC[C@H]1C 530fbfb27258d6c523499772d1500e82 [0,1,0,1,0,0|2,0,0]=4 17693 B11R1.17 COCCN1CCOCC1C 97a24b809cc5683a89ff45d3ed1ae844 [0,1,0,1,0,0|2,0,0]=4 17694 B11R1.17 COCCN1CCOC[C@@H]1C 03a7e569ab8d528c97034e9886266874 [0,1,0,1,0,0|2,0,0]=4 17695 B11R1.17 COCCN1CCOC[C@H]1C 683ea42b076b4496ae66c7dae84e84be [0,1,0,1,0,0|2,0,0]=4 17696 B11R1.17 COCNC1CCCCC1C cdc9d9bcfc9f373a10989fb50990231e [0,1,0,1,0,0|2,0,0]=4 17697 B11R1.17 COCN[C@@H]1CCCC[C@@H]1C 4345b190afa2aa5b423d34c9bd8b4899 [0,1,0,1,0,0|2,0,0]=4 17698 B11R1.17 COCN[C@@H]1CCCC[C@H]1C aa996b1708358e8f16d5f8037987495a [0,1,0,1,0,0|2,0,0]=4 17699 B11R1.17 COCN[C@@H]1COCC[C@@H]1O 6c8f2e6a49ed8c246575278708567889 [0,1,0,1,0,0|2,0,0]=4 17700 B11R1.17 COCN[C@@H]1COCC[C@H]1O b4c1ea7093d320561772a5493b510387 [0,1,0,1,0,0|2,0,0]=4 17701 B11R1.17 COCN[C@H]1CCCC[C@@H]1C 250df64a8c821cf75414489b14b7ec53 [0,1,0,1,0,0|2,0,0]=4 17702 B11R1.17 COCN[C@H]1CCCC[C@H]1C 6d401645345aba0cb48a0b91fd4803ce [0,1,0,1,0,0|2,0,0]=4 17703 B11R1.17 COCN[C@H]1COCC[C@@H]1O 27585120f6ebc942dab6c1fa2ad03f74 [0,1,0,1,0,0|2,0,0]=4 17704 B11R1.17 COCN[C@H]1COCC[C@H]1O 9ea5690ba5f0a65555685747a5fd6fd3 [0,1,0,1,0,0|2,0,0]=4 17705 B11R1.17 COCOC1CCCCC1C 04612028f51e6cada192150c12627c72 [0,1,0,1,0,0|2,0,0]=4 17706 B11R1.17 COCO[C@@H]1CCCC[C@@H]1C 13b925b59bd3c505248c6e004437cf1c [0,1,0,1,0,0|2,0,0]=4 17707 B11R1.17 COCO[C@H]1CCCC[C@@H]1C c1630b0bfee2f4e9e26e6e47add49623 [0,1,0,1,0,0|2,0,0]=4 17708 B11R1.17 COCO[C@H]1CCCC[C@H]1C 40896b335cde93f2f6d498ccca277374 [0,1,0,1,0,0|2,0,0]=4 17709 B11R1.17 CSCCN1CCCCC1C f8e44a546f08f8d8d8f301c1e8c1e18c [0,1,0,1,0,0|2,0,0]=4 17710 B11R1.17 CSCCN1CCCC[C@@H]1C 92495bbb572d6b689c281a2be2deca15 [0,1,0,1,0,0|2,0,0]=4 17711 B11R1.17 CSCCN1CCCC[C@H]1C 7e814755476f8ca4bc07e1170a8dc29c [0,1,0,1,0,0|2,0,0]=4 17712 B11R1.17 CSCCN1CCOCC1C bf8e833b2084fdeac95164ab643201f1 [0,1,0,1,0,0|2,0,0]=4 17713 B11R1.17 CSCCN1CCOC[C@@H]1C b7b75017718e034972b46f4cfea39f4e [0,1,0,1,0,0|2,0,0]=4 17714 B11R1.17 CSCCN1CCOC[C@H]1C bd970a37846d54268018f3bf8af56da8 [0,1,0,1,0,0|2,0,0]=4 17715 B11R1.17 CSCNC1CCCCC1C 7812ed0c98df7a82026e27e06f65aad0 [0,1,0,1,0,0|2,0,0]=4 17716 B11R1.17 CSCN[C@@H]1CCCC[C@@H]1C 1474f0c9f062f92a35277585253b97ff [0,1,0,1,0,0|2,0,0]=4 17717 B11R1.17 CSCN[C@@H]1CCCC[C@H]1C f2023afb290854e39ce51534602e5486 [0,1,0,1,0,0|2,0,0]=4 17718 B11R1.17 CSCN[C@@H]1COCC[C@@H]1O 4327dcecb4e9ec8fc76525094a8fe5b5 [0,1,0,1,0,0|2,0,0]=4 17719 B11R1.17 CSCN[C@@H]1COCC[C@H]1O 5587cdf344a7a3e16824d8460171fefd [0,1,0,1,0,0|2,0,0]=4 17720 B11R1.17 CSCN[C@H]1CCCC[C@@H]1C 2de3ebccd88d3be0f065a4a5363f3f9e [0,1,0,1,0,0|2,0,0]=4 17721 B11R1.17 CSCN[C@H]1CCCC[C@H]1C ead33bb8654d629e5807d8033ebc9deb [0,1,0,1,0,0|2,0,0]=4 17722 B11R1.17 CSCN[C@H]1COCC[C@@H]1O 471b1c0d117a1554c95be5c8486197dc [0,1,0,1,0,0|2,0,0]=4 17723 B11R1.17 CSCN[C@H]1COCC[C@H]1O 080b352731dd2b0458e97c83231efad6 [0,1,0,1,0,0|2,0,0]=4 17724 B11R1.17 CSCOC1CCCCC1C 7ad203cec64717c90481576c7786bb07 [0,1,0,1,0,0|2,0,0]=4 17725 B11R1.17 CSCO[C@@H]1CCCC[C@@H]1C 1fa088698c8224331021de5c87e94d80 [0,1,0,1,0,0|2,0,0]=4 17726 B11R1.17 CSCO[C@H]1CCCC[C@@H]1C 2781b7cfa1a51dc80f8e0408b9fa3d68 [0,1,0,1,0,0|2,0,0]=4 17727 B11R1.17 CSCO[C@H]1CCCC[C@H]1C d966848fd97cf8f4c939348557cc6d17 [0,1,0,1,0,0|2,0,0]=4 17728 B11R1.17 C[C@@H]1CCCCN1CCCF 073ed6a0a7096583af71de8f5079f5de [0,1,0,1,0,0|2,0,0]=4 17729 B11R1.17 C[C@@H]1CCCCN1CCCO 6fd84a4e3b169ec43015356a9027c3bc [0,1,0,1,0,0|2,0,0]=4 17730 B11R1.17 C[C@@H]1CCCCN1CCCS 67adc912345d034bc70c853529eac623 [0,1,0,1,0,0|2,0,0]=4 17731 B11R1.17 C[C@@H]1CCCC[C@@H]1NCCBr cf0770342699da27307b1701add51807 [0,1,0,1,0,0|2,0,0]=4 17732 B11R1.17 C[C@@H]1CCCC[C@@H]1NCCF 473e01e8ef39ac1adcb370a2d6f1cc38 [0,1,0,1,0,0|2,0,0]=4 17733 B11R1.17 C[C@@H]1CCCC[C@@H]1NCCI 486f23121a31bb3a6f29af394f8af5c3 [0,1,0,1,0,0|2,0,0]=4 17734 B11R1.17 C[C@@H]1CCCC[C@@H]1NCCO 87fc70f547ddc2db47020bf411604945 [0,1,0,1,0,0|2,0,0]=4 17735 B11R1.17 C[C@@H]1CCCC[C@@H]1NCCS 68c2b89e59abc718aefb7289cb6fb9e6 [0,1,0,1,0,0|2,0,0]=4 17736 B11R1.17 C[C@@H]1CCCC[C@@H]1OCCF 2eefa151e6e59f054bbaee32ba283c98 [0,1,0,1,0,0|2,0,0]=4 17737 B11R1.17 C[C@@H]1CCCC[C@@H]1OCCS f63be3378242d696b498bcbf6b6b9ab8 [0,1,0,1,0,0|2,0,0]=4 17738 B11R1.17 C[C@@H]1CCCC[C@H]1NCCF 36a6685e56e8548859c142981e7502b2 [0,1,0,1,0,0|2,0,0]=4 17739 B11R1.17 C[C@@H]1CCCC[C@H]1NCCO b4b92dc556e26bd3055d19e7820d8afe [0,1,0,1,0,0|2,0,0]=4 17740 B11R1.17 C[C@@H]1CCCC[C@H]1NCCS f9955f168f265e5f566b85201829ba2d [0,1,0,1,0,0|2,0,0]=4 17741 B11R1.17 C[C@@H]1COCCN1CCCF 60aeb368ec5f60665bd809ed82044431 [0,1,0,1,0,0|2,0,0]=4 17742 B11R1.17 C[C@@H]1COCCN1CCCO 6b86fcde902fc25e3a3c23f4fc57a45f [0,1,0,1,0,0|2,0,0]=4 17743 B11R1.17 C[C@@H]1COCCN1CCCS c656c947a08d57657d7b20e20f05cbae [0,1,0,1,0,0|2,0,0]=4 17744 B11R1.17 C[C@H]1CCCCN1CCCF 09b625893a39e998f7543dd4a9a4cff3 [0,1,0,1,0,0|2,0,0]=4 17745 B11R1.17 C[C@H]1CCCCN1CCCO 13ed03d551929cc9996e311ec7b70ce5 [0,1,0,1,0,0|2,0,0]=4 17746 B11R1.17 C[C@H]1CCCCN1CCCS 682f211d47a9a421b3f7d3fdca0deeb8 [0,1,0,1,0,0|2,0,0]=4 17747 B11R1.17 C[C@H]1CCCC[C@@H]1NCCF 615a79844f576d7110003a3eb5f615ee [0,1,0,1,0,0|2,0,0]=4 17748 B11R1.17 C[C@H]1CCCC[C@@H]1NCCO 5b3deeb81fb04710cff51b19df9244a1 [0,1,0,1,0,0|2,0,0]=4 17749 B11R1.17 C[C@H]1CCCC[C@@H]1NCCS e0d304407efeeed37af1a15e6f8e2f24 [0,1,0,1,0,0|2,0,0]=4 17750 B11R1.17 C[C@H]1CCCC[C@@H]1OCCF 5ccb609b65c8c6d0dc7a9e72cf4f2317 [0,1,0,1,0,0|2,0,0]=4 17751 B11R1.17 C[C@H]1CCCC[C@@H]1OCCS 11d3d12f0afaac2d5b26f85f6cc2f69e [0,1,0,1,0,0|2,0,0]=4 17752 B11R1.17 C[C@H]1CCCC[C@H]1NCCF d4dbe4fdf37782c708539e20da74c891 [0,1,0,1,0,0|2,0,0]=4 17753 B11R1.17 C[C@H]1CCCC[C@H]1NCCO e07252d90a0c78830feaac80840cb6e3 [0,1,0,1,0,0|2,0,0]=4 17754 B11R1.17 C[C@H]1CCCC[C@H]1NCCS 052de88308aa1ad85311ed961875585e [0,1,0,1,0,0|2,0,0]=4 17755 B11R1.17 C[C@H]1CCCC[C@H]1OCCF 2abb0a28c254dd3dbe118b235d42bc1f [0,1,0,1,0,0|2,0,0]=4 17756 B11R1.17 C[C@H]1CCCC[C@H]1OCCS ffd9997f4f199afa9828e6a571afc26b [0,1,0,1,0,0|2,0,0]=4 17757 B11R1.17 C[C@H]1COCCN1CCCF ab5026c7cd6723ad75cbbdc9086436e7 [0,1,0,1,0,0|2,0,0]=4 17758 B11R1.17 C[C@H]1COCCN1CCCO a52169cddd275b42dd26bf305da98149 [0,1,0,1,0,0|2,0,0]=4 17759 B11R1.17 C[C@H]1COCCN1CCCS 8406ccc44e26aabefbd142e0b1570983 [0,1,0,1,0,0|2,0,0]=4 17760 B11R1.17 OCCN[C@@H]1COCC[C@@H]1O 49ac8d62428bae44d761d05a92d1766e [0,1,0,1,0,0|2,0,0]=4 17761 B11R1.17 OCCN[C@@H]1COCC[C@H]1O f6606d7b2f86ee27c558946afcd436af [0,1,0,1,0,0|2,0,0]=4 17762 B11R1.17 OCCN[C@H]1COCC[C@@H]1O 12e728b9fb671b2aaca43c10c0664a61 [0,1,0,1,0,0|2,0,0]=4 17763 B11R1.17 OCCN[C@H]1COCC[C@H]1O 9a7cc15c58112f70cf194bc04a4bbab8 [0,1,0,1,0,0|2,0,0]=4 17764 B11R1.17 O[C@@H]1CCOC[C@@H]1NCCF c39ef7950409189df5116d7288b52c03 [0,1,0,1,0,0|2,0,0]=4 17765 B11R1.17 O[C@@H]1CCOC[C@@H]1NCCS 979745dae307247e8d9e6d77a9e79870 [0,1,0,1,0,0|2,0,0]=4 17766 B11R1.17 O[C@@H]1CCOC[C@H]1NCCF 3d43aef099d1bd685e93eb8a0a1e34ff [0,1,0,1,0,0|2,0,0]=4 17767 B11R1.17 O[C@@H]1CCOC[C@H]1NCCS 57eff255f8851ac4f37776a119775346 [0,1,0,1,0,0|2,0,0]=4 17768 B11R1.17 O[C@H]1CCOC[C@@H]1NCCF a71e801b651dd9202b3d805a723d26f9 [0,1,0,1,0,0|2,0,0]=4 17769 B11R1.17 O[C@H]1CCOC[C@@H]1NCCS 68f4b75c5f7c3b551b84a1268daba6eb [0,1,0,1,0,0|2,0,0]=4 17770 B11R1.17 O[C@H]1CCOC[C@H]1NCCF 3cda595e9f7132ac308e82826ed8c71a [0,1,0,1,0,0|2,0,0]=4 17771 B11R1.17 O[C@H]1CCOC[C@H]1NCCS e7442a9f2264c9f20ecc396c381c12da [0,1,0,1,0,0|2,0,0]=4 17772 B11R1.18 C#CC1CCCN1CCCC 979bd27a614d3c4de903c836a5b50a4a [0,1,0,1,0,0|1,0,1]=4 17773 B11R1.18 CCC1CCCN1CCCF 25a7b908b6883ba5b226a74bf788cca0 [0,1,0,1,0,0|2,0,0]=4 17774 B11R1.18 CCC1CCCN1CCCO 803ebab82fbf275fabb90b1b0ce7fcdc [0,1,0,1,0,0|2,0,0]=4 17775 B11R1.18 CCC1CCCN1CCCS 0ac25c15511ae6a933e6329ca541467a [0,1,0,1,0,0|2,0,0]=4 17776 B11R1.18 CCC1CCCN1CCOC 5f03900d40043c1f9fb6ca902674c056 [0,1,0,1,0,0|2,0,0]=4 17777 B11R1.18 CCC1CCCN1CCSC 22adc361156c9b3506f6a4a89d775e76 [0,1,0,1,0,0|2,0,0]=4 17778 B11R1.18 CCCCC1CCCN1CC 6c3b253cd7b75c3fe3c15ee12418cb92 [0,1,0,1,0,0|1,0,0]=3 17779 B11R1.18 CCCCC1CCCN1CF 5cdfbd32970a08a4b1b0fbab3273a0a3 [0,1,0,1,0,0|2,0,0]=4 17780 B11R1.18 CCCCC1CCCN1CO 1152907f1020b8b4004dacf8ec4bab60 [0,1,0,1,0,0|2,0,0]=4 17781 B11R1.18 CCCCN1CCCC1C#N e029d2a0e46eea96ac860c513d7594b3 [0,1,0,1,0,0|1,0,1]=4 17782 B11R1.18 CCCCN1CCCC1CC 78cb241f46461735c4b5f7893f213a25 [0,1,0,1,0,0|1,0,0]=3 17783 B11R1.18 CCCCN1CCCC1CO 83d221fbb3b16ae3b7a08929ebb75712 [0,1,0,1,0,0|1,0,0]=3 17784 B11R1.18 CCCCN1CCCC1OC b5515402d1dba298d756934586663141 [0,1,0,1,0,0|1,0,0]=3 17785 B11R1.18 CCCCN1CCC[C@@H]1CF ed4b5efaa82b0b2287979c8159b96702 [0,1,0,1,0,0|1,0,0]=3 17786 B11R1.18 CCCCN1CCC[C@@H]1CO 2ab854d0a1cd0494d03c2c9c60b4dd9d [0,1,0,1,0,0|1,0,0]=3 17787 B11R1.18 CCCCN1CCC[C@H]1C#N c9b35e545b9891942ddf36cf3b068770 [0,1,0,1,0,0|1,0,1]=4 17788 B11R1.18 CCCCN1CCC[C@H]1CC 7302ac816375b5c29fea5606915b75ef [0,1,0,1,0,0|1,0,0]=3 17789 B11R1.18 CCCCN1CCC[C@H]1CF 068bf3df02e4d6d35cf8e857f3a10dc0 [0,1,0,1,0,0|1,0,0]=3 17790 B11R1.18 CCCCN1CCC[C@H]1CO 9a57a266850776285275dd1df46f1f8a [0,1,0,1,0,0|1,0,0]=3 17791 B11R1.18 CCCNC1CCCC1OC 4a4d42594c9c70c0f4af50374a59c588 [0,1,0,1,0,0|2,0,0]=4 17792 B11R1.18 CCCNC1COCC1CO b5f91df61c9c9967f1db011c031bb7c6 [0,1,0,1,0,0|1,0,0]=3 17793 B11R1.18 CCCNC1COCC1OC f52b013d95c0a654114ad639497762c3 [0,1,0,1,0,0|1,0,0]=3 17794 B11R1.18 CCCN[C@@H]1CCC[C@H]1CC 0260a219c7a0da72fd07ddc4b096af94 [0,1,0,1,0,0|1,0,0]=3 17795 B11R1.18 CCCN[C@@H]1CCC[C@H]1OC 0282ae25478cb29cdb88d20c4493395a [0,1,0,1,0,0|2,0,0]=4 17796 B11R1.18 CCCN[C@@H]1COC[C@@H]1OC 60822c016a4a82ed0ba6352792a908c3 [0,1,0,1,0,0|1,0,0]=3 17797 B11R1.18 CCCN[C@@H]1COC[C@H]1CO d776c96b7c8916e06cbf44cf26f1f6be [0,1,0,1,0,0|1,0,0]=3 17798 B11R1.18 CCCN[C@@H]1COC[C@H]1OC 71590cc84012be676afedc8e77249a80 [0,1,0,1,0,0|1,0,0]=3 17799 B11R1.18 CCCN[C@H]1CCC[C@@H]1OC fc37b734cdfa3f5b94730d4e63a20a5e [0,1,0,1,0,0|2,0,0]=4 17800 B11R1.18 CCCN[C@H]1CCC[C@H]1CO 7f9e01219e173aa81717ebe34fce9daa [0,1,0,1,0,0|2,0,0]=4 17801 B11R1.18 CCCN[C@H]1CCC[C@H]1OC d32e2c12eb805ff51198e6332d46549e [0,1,0,1,0,0|2,0,0]=4 17802 B11R1.18 CCCN[C@H]1COC[C@@H]1OC 264c8907bbc5b28c391e8b1d247932bf [0,1,0,1,0,0|1,0,0]=3 17803 B11R1.18 CCCN[C@H]1COC[C@H]1OC e289931126e15ad82a76008f7a8dfb09 [0,1,0,1,0,0|1,0,0]=3 17804 B11R1.18 CCCN[C@H]1CSC[C@@H]1CO 0f08aabc4755175334f2025ac3cfde4e [0,1,0,1,0,0|1,1,0]=4 17805 B11R1.18 CCN1CCCC1CCOC 46a40520f50594f14badb67028c0d59d [0,1,0,1,0,0|2,0,0]=4 17806 B11R1.18 CCNCC1CCCN1CC 0ff1febe60c0bf01e2ce73ddb578bc76 [0,1,0,1,0,0|2,0,0]=4 17807 B11R1.18 CCNC[C@@H]1CCCN1CC 0ebae2c6ec60fd0bcda12e41e464e721 [0,1,0,1,0,0|2,0,0]=4 17808 B11R1.18 CCNC[C@H]1CCCN1CC e56cbe7305a797299abd6a7d6954b516 [0,1,0,1,0,0|2,0,0]=4 17809 B11R1.18 CCOCC1CCCN1CC 63eaf6371cc1d623ecd9b1f45daa79d7 [0,1,0,1,0,0|2,0,0]=4 17810 B11R1.18 CCOCN1CCCC1CC 2e675f14b8bdcafe750642720a7f83b1 [0,1,0,1,0,0|2,0,0]=4 17811 B11R1.18 CCOCN1CCCC1CO 04555f4efc17fa26eaec7b83d6ffbf05 [0,1,0,1,0,0|2,0,0]=4 17812 B11R1.18 CCOCN1CCCC1OC ab88a69778e4d100ad3724323d000369 [0,1,0,1,0,0|2,0,0]=4 17813 B11R1.18 CCOCN1CCC[C@@H]1CF 636e16f5c5164fcf424df24e7fe47716 [0,1,0,1,0,0|2,0,0]=4 17814 B11R1.18 CCOCN1CCC[C@@H]1CO 227f596d458ca3c002f8b2bcd5a50906 [0,1,0,1,0,0|2,0,0]=4 17815 B11R1.18 CCOCN1CCC[C@H]1CC 582b386fa8a483743b5c4ace2600dbf3 [0,1,0,1,0,0|2,0,0]=4 17816 B11R1.18 CCOCN1CCC[C@H]1CF 976238292c83ab73617faab733281a00 [0,1,0,1,0,0|2,0,0]=4 17817 B11R1.18 CCOCN1CCC[C@H]1CO 6a2bbfc71ce8c181e76fa03ce55f5a34 [0,1,0,1,0,0|2,0,0]=4 17818 B11R1.18 CCOC[C@@H]1CCCN1CC 1a02705649771ca6d1693c2774ec93e7 [0,1,0,1,0,0|2,0,0]=4 17819 B11R1.18 CCOC[C@H]1CCCN1CC e09e9d26cf53735b74b4c7e251988bad [0,1,0,1,0,0|2,0,0]=4 17820 B11R1.18 CC[C@@H]1CCCN1CCCF 4777899e64c15d296164ac13d8b8b6ff [0,1,0,1,0,0|2,0,0]=4 17821 B11R1.18 CC[C@@H]1CCCN1CCCO 5b187df5386c82d4eca96fb746f1d513 [0,1,0,1,0,0|2,0,0]=4 17822 B11R1.18 CC[C@@H]1CCCN1CCCS ed45753523164271dc7c2f733bfcc206 [0,1,0,1,0,0|2,0,0]=4 17823 B11R1.18 CC[C@@H]1CCCN1CCOC 9bc6faf71565a7e86f8a07138c80ac44 [0,1,0,1,0,0|2,0,0]=4 17824 B11R1.18 CC[C@@H]1CCCN1CCSC e7b4bc4491a228bf9d7494d0910aca92 [0,1,0,1,0,0|2,0,0]=4 17825 B11R1.18 CC[C@@H]1CCC[C@H]1NCCF b540f5586db9732318e8c3afe108fab7 [0,1,0,1,0,0|2,0,0]=4 17826 B11R1.18 CC[C@@H]1CCC[C@H]1NCCO 41cde81dbb377171e1bff224d9430c1b [0,1,0,1,0,0|2,0,0]=4 17827 B11R1.18 CC[C@@H]1CCC[C@H]1NCCS 6f43b360dc48174781724acca897e8a3 [0,1,0,1,0,0|2,0,0]=4 17828 B11R1.18 CC[C@@H]1CCC[C@H]1NCOC bb512839be67debe40d9bc15d4c54e52 [0,1,0,1,0,0|2,0,0]=4 17829 B11R1.18 CC[C@@H]1CCC[C@H]1NCSC 82c72da68c76cb55d91190a3da96558b [0,1,0,1,0,0|2,0,0]=4 17830 B11R1.18 COC1CCCN1CCCF c3f6b3e8d7b1ca01afc274b5c1a659a7 [0,1,0,1,0,0|2,0,0]=4 17831 B11R1.18 COC1CCCN1CCCO 5d512acbd487f9802e5cf5c167c5d5e9 [0,1,0,1,0,0|2,0,0]=4 17832 B11R1.18 COC1CCCN1CCCS fc575cdd84c3ef3d66bdfa16e1c5d422 [0,1,0,1,0,0|2,0,0]=4 17833 B11R1.18 COC1CCCN1CCSC 274080c89f260cd24f41c38898788498 [0,1,0,1,0,0|2,0,0]=4 17834 B11R1.18 COC1COCC1NCCF 2465cc529cd32a174fa4de402d5bae6f [0,1,0,1,0,0|2,0,0]=4 17835 B11R1.18 COC1COCC1NCCO dbd8d924180fc13454477a1ccd282937 [0,1,0,1,0,0|2,0,0]=4 17836 B11R1.18 COC1COCC1NCCS d63012af1433d1163547edb71447010d [0,1,0,1,0,0|2,0,0]=4 17837 B11R1.18 COC1COCC1NCSC d30f82040ea1e94daa9a739865169d9d [0,1,0,1,0,0|2,0,0]=4 17838 B11R1.18 COCCN1CCCC1CO d7f8a8669cb733cbeaa74a9c121c464b [0,1,0,1,0,0|2,0,0]=4 17839 B11R1.18 COCCN1CCCC1OC 6ab1c3111b9368044505ae9c8f8c2f63 [0,1,0,1,0,0|2,0,0]=4 17840 B11R1.18 COCCN1CCC[C@@H]1CF 5cc37f4d52586a19042496b3b26ffe47 [0,1,0,1,0,0|2,0,0]=4 17841 B11R1.18 COCCN1CCC[C@@H]1CO a91c45185a1df7c59dd4d64b19277536 [0,1,0,1,0,0|2,0,0]=4 17842 B11R1.18 COCCN1CCC[C@H]1CF 172378392c11928eab58e8b1cb3043e2 [0,1,0,1,0,0|2,0,0]=4 17843 B11R1.18 COCCN1CCC[C@H]1CO 2df5284a87488b598dfeaa2124c9e9f1 [0,1,0,1,0,0|2,0,0]=4 17844 B11R1.18 COCNC1COCC1CO cd6184e10a764fd5b7ffb869b82c470d [0,1,0,1,0,0|2,0,0]=4 17845 B11R1.18 COCNC1COCC1OC 8e00157d50adfbe0386086aa2090d650 [0,1,0,1,0,0|2,0,0]=4 17846 B11R1.18 COCN[C@@H]1COC[C@@H]1OC 8894fe95370fa5dc1661a9f321876a7a [0,1,0,1,0,0|2,0,0]=4 17847 B11R1.18 COCN[C@@H]1COC[C@H]1CO 4e027561b3df59c0029879ce3312fcad [0,1,0,1,0,0|2,0,0]=4 17848 B11R1.18 COCN[C@@H]1COC[C@H]1OC 38c1d27f2cd5cdc6e14ecacc740d008b [0,1,0,1,0,0|2,0,0]=4 17849 B11R1.18 COCN[C@H]1COC[C@@H]1OC 6d6b511cdb5ea517d1cc9c4d0a28daae [0,1,0,1,0,0|2,0,0]=4 17850 B11R1.18 COCN[C@H]1COC[C@H]1OC f86ee3ee54de329d3fbcf5846e84f926 [0,1,0,1,0,0|2,0,0]=4 17851 B11R1.18 CO[C@@H]1COC[C@@H]1NCCF 935a1ac9b27bef80ce2f3a8a3653f654 [0,1,0,1,0,0|2,0,0]=4 17852 B11R1.18 CO[C@@H]1COC[C@@H]1NCCO 0026594ceaf0f29812fbbbbfa9bcd61a [0,1,0,1,0,0|2,0,0]=4 17853 B11R1.18 CO[C@@H]1COC[C@@H]1NCCS 82fb903d195d17e29df7c4ebefb186f7 [0,1,0,1,0,0|2,0,0]=4 17854 B11R1.18 CO[C@@H]1COC[C@@H]1NCSC 5254ef2d49087f86b508f40b8d0ddeb3 [0,1,0,1,0,0|2,0,0]=4 17855 B11R1.18 CO[C@@H]1COC[C@H]1NCCF 144abc94f05b9a14117bdf39ec9cf781 [0,1,0,1,0,0|2,0,0]=4 17856 B11R1.18 CO[C@@H]1COC[C@H]1NCCO 710fba0a32c7276f6a270e8309edadaf [0,1,0,1,0,0|2,0,0]=4 17857 B11R1.18 CO[C@@H]1COC[C@H]1NCCS dab825a34a5ca7e38743842a4514051a [0,1,0,1,0,0|2,0,0]=4 17858 B11R1.18 CO[C@@H]1COC[C@H]1NCSC 841f0516222677df82f73fbfa57de8b6 [0,1,0,1,0,0|2,0,0]=4 17859 B11R1.18 CO[C@H]1COC[C@@H]1NCCF db713c493645174aa789cc6d4f26fa24 [0,1,0,1,0,0|2,0,0]=4 17860 B11R1.18 CO[C@H]1COC[C@@H]1NCCO 2af077115a091a2ac9812248316fa431 [0,1,0,1,0,0|2,0,0]=4 17861 B11R1.18 CO[C@H]1COC[C@@H]1NCCS a135d6962fe08e32328541a3de8953d9 [0,1,0,1,0,0|2,0,0]=4 17862 B11R1.18 CO[C@H]1COC[C@@H]1NCSC 52f6316e4afeb0be57031c8b8d84b6d6 [0,1,0,1,0,0|2,0,0]=4 17863 B11R1.18 CO[C@H]1COC[C@H]1NCCF 0f305d827cb30acb557e13c2e819a76c [0,1,0,1,0,0|2,0,0]=4 17864 B11R1.18 CO[C@H]1COC[C@H]1NCCO 3b9e34234b51c6c85cc799a7939d5ebb [0,1,0,1,0,0|2,0,0]=4 17865 B11R1.18 CO[C@H]1COC[C@H]1NCCS a20944b70573cd369b84391306fad315 [0,1,0,1,0,0|2,0,0]=4 17866 B11R1.18 CO[C@H]1COC[C@H]1NCSC 10bb73ae41801d0ae40839f200234bbb [0,1,0,1,0,0|2,0,0]=4 17867 B11R1.18 CSCCN1CCCC1CO a68ce511de55c6bb378a8b12532fc853 [0,1,0,1,0,0|2,0,0]=4 17868 B11R1.18 CSCCN1CCC[C@@H]1CF 1d3b5af35a6a94d5df4893cdf035825e [0,1,0,1,0,0|2,0,0]=4 17869 B11R1.18 CSCCN1CCC[C@@H]1CO cc138692fa9b020a24d4ea99754845dd [0,1,0,1,0,0|2,0,0]=4 17870 B11R1.18 CSCCN1CCC[C@H]1CF cb0ca5bca66766f72f0d198355d1659d [0,1,0,1,0,0|2,0,0]=4 17871 B11R1.18 CSCCN1CCC[C@H]1CO dc65382b6f6b63c94dce5a05a8b33841 [0,1,0,1,0,0|2,0,0]=4 17872 B11R1.18 CSCNC1COCC1CO 41cba50330088ff484cce0e263f86202 [0,1,0,1,0,0|2,0,0]=4 17873 B11R1.18 CSCN[C@@H]1COC[C@H]1CO cad1aadf68c9956853e0cd2e24911849 [0,1,0,1,0,0|2,0,0]=4 17874 B11R1.18 FCCCN1CCC[C@@H]1CF 7e3fe656d8aac9336f75edc990c4e00f [0,1,0,1,0,0|2,0,0]=4 17875 B11R1.18 FCCCN1CCC[C@H]1CF 13f17aa9d2f86c87da21b5a0a8e17162 [0,1,0,1,0,0|2,0,0]=4 17876 B11R1.18 FC[C@@H]1CCCN1CCCS 00e5b56f028067838831e4c8e33c6b1e [0,1,0,1,0,0|2,0,0]=4 17877 B11R1.18 FC[C@H]1CCCN1CCCS a8869f1acf5571c014743fee21f50b84 [0,1,0,1,0,0|2,0,0]=4 17878 B11R1.18 OCC1CCCN1CCCF 827b1bd6e7d0ade575e24a0b69acb85b [0,1,0,1,0,0|2,0,0]=4 17879 B11R1.18 OCC1CCCN1CCCS 7986f335e722bfc6f5d846cad0980bd0 [0,1,0,1,0,0|2,0,0]=4 17880 B11R1.18 OCC1COCC1NCCF 702393f2a7943cda3a09ff1040b2bb24 [0,1,0,1,0,0|2,0,0]=4 17881 B11R1.18 OCC1COCC1NCCS 7c3ba848b170bbae5a8b94858b967378 [0,1,0,1,0,0|2,0,0]=4 17882 B11R1.18 OCCCN1CCCC1CO 0439a7dc011b26b9f65f19d759b20754 [0,1,0,1,0,0|2,0,0]=4 17883 B11R1.18 OCCCN1CCC[C@@H]1CF 2009836a05efef616044caa23373f1a9 [0,1,0,1,0,0|2,0,0]=4 17884 B11R1.18 OCCCN1CCC[C@@H]1CO f3156266c1a9cc30c73a318cf336afa3 [0,1,0,1,0,0|2,0,0]=4 17885 B11R1.18 OCCCN1CCC[C@H]1CF 625840f6494e921c41c14cb2742ef04a [0,1,0,1,0,0|2,0,0]=4 17886 B11R1.18 OCCCN1CCC[C@H]1CO 40ae0f4e3389c38ace747d5c8ea09944 [0,1,0,1,0,0|2,0,0]=4 17887 B11R1.18 OCCNC1COCC1CO 7fa67482264a2c4dd08b1f89969ef4bc [0,1,0,1,0,0|2,0,0]=4 17888 B11R1.18 OCCN[C@@H]1COC[C@H]1CO dc70896741fb420bf57fe939600601e1 [0,1,0,1,0,0|2,0,0]=4 17889 B11R1.18 OC[C@@H]1CCCN1CCCF 65b6ab8a773fb6fa9e2af11d51815df6 [0,1,0,1,0,0|2,0,0]=4 17890 B11R1.18 OC[C@@H]1CCCN1CCCS 32ebb530b94776b99e5df08f64816f80 [0,1,0,1,0,0|2,0,0]=4 17891 B11R1.18 OC[C@@H]1COC[C@H]1NCCF 079c1a40a8739c67e98534afcc628708 [0,1,0,1,0,0|2,0,0]=4 17892 B11R1.18 OC[C@@H]1COC[C@H]1NCCS cb5a43087ed606ce96c646bb881bf693 [0,1,0,1,0,0|2,0,0]=4 17893 B11R1.18 OC[C@H]1CCCN1CCCF b175862144faa9a51f5dcf0644ea0937 [0,1,0,1,0,0|2,0,0]=4 17894 B11R1.18 OC[C@H]1CCCN1CCCS 8cebd9ae876f5411d84fae91af9ee2e6 [0,1,0,1,0,0|2,0,0]=4 17895 B11R1.28 BrCCNCC1CCCCC1 24933cf29df25ceb43a974451b0e6e6c [0,1,0,1,0,0|2,0,0]=4 17896 B11R1.28 BrCCNCC1CCCCO1 9e5564589df03bba40836a6d2f4e2bd2 [0,1,0,1,0,0|1,0,0]=3 17897 B11R1.28 BrCCNCC1COCCO1 1e0704e216d69c0ec39134203afdaafb [0,1,0,1,0,0|2,0,0]=4 17898 B11R1.28 C#CCCNC1CCCCO1 2b7431b5f52b113d811bc9b316fdd792 [0,1,0,1,0,0|0,0,2]=4 17899 B11R1.28 C#CCCOC1CCCCC1 153341cda14ca92ac12529fe8245b096 [0,1,0,1,0,0|0,0,2]=4 17900 B11R1.28 C#CCCOC1CCCCO1 4fef2e66143cf706cdfe1d16748b3e93 [0,1,0,1,0,0|0,0,2]=4 17901 B11R1.28 C#CCCOC1CCCOC1 37b6730f583382c46b7269c5f5e4264e [0,1,0,1,0,0|0,0,2]=4 17902 B11R1.28 C#CCCOC1CCCSC1 c38f5a567e60353bb8d1e2c5994b0c66 [0,1,0,1,0,0|0,0,2]=4 17903 B11R1.28 C#CCCOC1CCOCC1 e5db7fae85dd4351390d8453066f5e54 [0,1,0,1,0,0|0,0,2]=4 17904 B11R1.28 C#CCCOC1CCSCC1 fa9b846ecf575be056dfc4adaa0895e5 [0,1,0,1,0,0|0,0,2]=4 17905 B11R1.28 C#CCCO[C@@H]1CCCOC1 8a5379dd1e1477a38a8100a51eb3954a [0,1,0,1,0,0|0,0,2]=4 17906 B11R1.28 C#CCCO[C@H]1CCCOC1 eecbd0d2eb095c3fbc5331f8650784b9 [0,1,0,1,0,0|0,0,2]=4 17907 B11R1.28 C#CCNCC1CCCCO1 59f8fad42133611c36d2873ae5f45907 [0,1,0,1,0,0|0,0,2]=4 17908 B11R1.28 C#CCOCC1CCCCO1 ecf6caafe322c9ff4098b135d2664d5e [0,1,0,1,0,0|0,0,2]=4 17909 B11R1.28 C#CCOC[C@@H]1CCCCO1 5124bf95838de21cb21e2e1b04b62b4d [0,1,0,1,0,0|0,0,2]=4 17910 B11R1.28 C#CCOC[C@H]1CCCCO1 784987a8346bf1e420d5d7e611d64c61 [0,1,0,1,0,0|0,0,2]=4 17911 B11R1.28 C/C=C/COC1CCCCC1 929ecd73692c9696febdbd59282ef2b3 [0,1,0,1,0,0|0,0,2]=4 17912 B11R1.28 C/C=C/COC1CCCCO1 bbe35b3854027d1c26bfb013dbaefa8c [0,1,0,1,0,0|0,0,2]=4 17913 B11R1.28 C/C=C/COC1CCCOC1 0272c2e15a562ed4475329613f41b058 [0,1,0,1,0,0|0,0,2]=4 17914 B11R1.28 C/C=C/COC1CCCSC1 e63b070e43887ab1bae34c9dcd77b2cd [0,1,0,1,0,0|0,0,2]=4 17915 B11R1.28 C/C=C/COC1CCOCC1 e87194828c4ffa5a652b0de1501ef48c [0,1,0,1,0,0|0,0,2]=4 17916 B11R1.28 C/C=C/COC1CCSCC1 f53377ae9807ee7d8e6478f367fa13b3 [0,1,0,1,0,0|0,0,2]=4 17917 B11R1.28 C/C=C/CO[C@@H]1CCCOC1 03bd2f02b81499e64ae096caf8cdf898 [0,1,0,1,0,0|0,0,2]=4 17918 B11R1.28 C/C=C/CO[C@H]1CCCOC1 5b3fae202d46db0b2609376c0d83534c [0,1,0,1,0,0|0,0,2]=4 17919 B11R1.28 C/C=C\COC1CCCCC1 3707de72c593da9001217120b8b4a78b [0,1,0,1,0,0|0,0,2]=4 17920 B11R1.28 C/C=C\COC1CCCCO1 2ae319e9a1c7161249cd36158acd7af6 [0,1,0,1,0,0|0,0,2]=4 17921 B11R1.28 C/C=C\COC1CCCOC1 340344556799692eb96c30595da8247c [0,1,0,1,0,0|0,0,2]=4 17922 B11R1.28 C/C=C\COC1CCCSC1 9d4f7996bc431055b6af9720380cfe22 [0,1,0,1,0,0|0,0,2]=4 17923 B11R1.28 C/C=C\COC1CCOCC1 3c4cd4bc6e18bfe3faedc4b0142a8f8b [0,1,0,1,0,0|0,0,2]=4 17924 B11R1.28 C/C=C\COC1CCSCC1 b9aabdfc099651afd1d042489ab48196 [0,1,0,1,0,0|0,0,2]=4 17925 B11R1.28 C/C=C\CO[C@@H]1CCCOC1 f23f7f57be6aee259348197ccee5cd94 [0,1,0,1,0,0|0,0,2]=4 17926 B11R1.28 C/C=C\CO[C@H]1CCCOC1 04ffe0007229ebccba43127d6dbd3a85 [0,1,0,1,0,0|0,0,2]=4 17927 B11R1.28 C=CCCNC1CCCCO1 78d33ba1be1c8a230072d3bc121004d0 [0,1,0,1,0,0|0,0,2]=4 17928 B11R1.28 C=CCCOC1CCCCC1 d3010c4986fc7af7404f06ae7395c5c7 [0,1,0,1,0,0|0,0,2]=4 17929 B11R1.28 C=CCCOC1CCCCO1 b2282d30cfbce080f4cacf855368db2a [0,1,0,1,0,0|0,0,2]=4 17930 B11R1.28 C=CCCOC1CCCOC1 89980fdf5ab12f3f201788ea83d87987 [0,1,0,1,0,0|0,0,2]=4 17931 B11R1.28 C=CCCOC1CCCSC1 5ca08241bfce4e5f6d893717c72157d0 [0,1,0,1,0,0|0,0,2]=4 17932 B11R1.28 C=CCCOC1CCOCC1 c50cc2bd60650af1a839c0772cd1cc8e [0,1,0,1,0,0|0,0,2]=4 17933 B11R1.28 C=CCCOC1CCSCC1 5f047ac366193da9f49049471dad3562 [0,1,0,1,0,0|0,0,2]=4 17934 B11R1.28 C=CCCO[C@@H]1CCCOC1 c9658a532f5baa603e0da5fe272d749f [0,1,0,1,0,0|0,0,2]=4 17935 B11R1.28 C=CCCO[C@H]1CCCOC1 4f8de2328550185b3963d73711d06d6d [0,1,0,1,0,0|0,0,2]=4 17936 B11R1.28 C=CCNCC1CCCCO1 f06d661bdf0ae369d66c85c8a7123871 [0,1,0,1,0,0|0,0,2]=4 17937 B11R1.28 C=CCOCC1CCCCO1 88d040fd9e66bde0050106fed5f663cf [0,1,0,1,0,0|0,0,2]=4 17938 B11R1.28 C=CCOC[C@@H]1CCCCO1 31cfe6cdcd22500441579b4c25f87a4f [0,1,0,1,0,0|0,0,2]=4 17939 B11R1.28 C=CCOC[C@H]1CCCCO1 04c85c8ac91cffa41a1d9470296e3b5a [0,1,0,1,0,0|0,0,2]=4 17940 B11R1.28 CC#CCNC1CCCCO1 9423d97323afa049a39cd432bd185220 [0,1,0,1,0,0|0,0,2]=4 17941 B11R1.28 CC#CCOC1CCCCC1 a9456c783b204fa3e068c84a5414e820 [0,1,0,1,0,0|0,0,2]=4 17942 B11R1.28 CC#CCOC1CCCCO1 bc2a685c7f1fb40f48ac50f2ae64e8ea [0,1,0,1,0,0|0,0,2]=4 17943 B11R1.28 CC#CCOC1CCCOC1 4982d4ec15fd909912498aa9e38cccb7 [0,1,0,1,0,0|0,0,2]=4 17944 B11R1.28 CC#CCOC1CCOCC1 7062316d8f849c0337badc9f3403d437 [0,1,0,1,0,0|0,0,2]=4 17945 B11R1.28 CC#CCOC1CCSCC1 2bb3480bd0924231427e79e3a79b8076 [0,1,0,1,0,0|0,0,2]=4 17946 B11R1.28 CC=CCNC1CCCCO1 921305549e665aafb73a6986af5ba1d1 [0,1,0,1,0,0|0,0,2]=4 17947 B11R1.28 CC=CCOC1CCCCC1 e62fb7160e45dd6841ea554e026d6df2 [0,1,0,1,0,0|0,0,2]=4 17948 B11R1.28 CC=CCOC1CCCCO1 04e0b83d70bef3a500c4a0298da11b93 [0,1,0,1,0,0|0,0,2]=4 17949 B11R1.28 CC=CCOC1CCCOC1 535f00491724ddaac26716d84dd60727 [0,1,0,1,0,0|0,0,2]=4 17950 B11R1.28 CC=CCOC1CCOCC1 62f5aa7f1a18508a5eb1ba471f12d7da [0,1,0,1,0,0|0,0,2]=4 17951 B11R1.28 CC=CCOC1CCSCC1 48cebea7821905d84e02d11a3a75a81e [0,1,0,1,0,0|0,0,2]=4 17952 B11R1.28 CCCCCN1CC=CCC1 d500fffaf2826f4f41d6075397a993f5 [0,1,0,1,0,0|1,0,1]=4 17953 B11R1.28 CCCCCN1CCCOC1 79f9dd929b5ac021a5a0f57a392f6c1b [0,1,0,1,0,0|1,0,0]=3 17954 B11R1.28 CCCCCN1CCCSC1 c4d03306acc5a58e915560b33411cb8e [0,1,0,1,0,0|1,0,0]=3 17955 B11R1.28 CCCCCN1CCOCC1 a720ae151cb2f85d45ba6a38cacf446b [0,1,0,1,0,0|1,0,0]=3 17956 B11R1.28 CCCCCN1CCSCC1 18feed15648bed4e1008e5f9e8ce122f [0,1,0,1,0,0|1,0,0]=3 17957 B11R1.28 CCCCNC1C=CCCC1 dce42cf7a9ac90c8acb74a49a788654b [0,1,0,1,0,0|1,0,1]=4 17958 B11R1.28 CCCCNC1CCCCC1 081506d55ac6f6089148e671a66a8336 [0,1,0,1,0,0|1,0,0]=3 17959 B11R1.28 CCCCNC1CCCCO1 3bd035030ae808d12bab4c5cba6dcb1f [0,1,0,1,0,0|0,0,0]=2 17960 B11R1.28 CCCCNC1CCCOC1 b4de02ce2074c2109061868e26fac7b6 [0,1,0,1,0,0|1,0,0]=3 17961 B11R1.28 CCCCNC1CCOCC1 25be351f4cc2d9f9dd697e062f604dde [0,1,0,1,0,0|1,0,0]=3 17962 B11R1.28 CCCCNC1CCSCC1 0e951c0daaea7be4d4d95e10c0a52583 [0,1,0,1,0,0|1,0,0]=3 17963 B11R1.28 CCCCNC1CSCSC1 6a77956ec043bcf4273c32192632c9f9 [0,1,0,1,0,0|2,0,0]=4 17964 B11R1.28 CCCCN[C@@H]1CCCOC1 83cc5a166182fbc7792295bf5344d9b0 [0,1,0,1,0,0|1,0,0]=3 17965 B11R1.28 CCCCN[C@H]1CCCOC1 540d94e71ee3c1b178e7733fa3780384 [0,1,0,1,0,0|1,0,0]=3 17966 B11R1.28 CCCCOC1C=CCCC1 95436f839186f58fde9551622165262e [0,1,0,1,0,0|0,0,1]=3 17967 B11R1.28 CCCCOC1CC=CCC1 f226528d6724a8c1c1c8e1176051e960 [0,1,0,1,0,0|0,0,1]=3 17968 B11R1.28 CCCCOC1CCCCC1 f5bd8d5f1c876320c48af2302e4c3043 [0,1,0,1,0,0|0,0,0]=2 17969 B11R1.28 CCCCOC1CCCCO1 876a79fef12cc68fcbedfbd209aaa824 [0,1,0,1,0,0|0,0,0]=2 17970 B11R1.28 CCCCOC1CCCOC1 b965f0a69b783a538a209e81db495746 [0,1,0,1,0,0|0,0,0]=2 17971 B11R1.28 CCCCOC1CCCSC1 d2154f649ac030f2f81aff751bce0e92 [0,1,0,1,0,0|0,0,0]=2 17972 B11R1.28 CCCCOC1CCOCC1 2c5700fee9a0f081ce7c3e2b031ac7d4 [0,1,0,1,0,0|0,0,0]=2 17973 B11R1.28 CCCCOC1CCSCC1 33d373d9ee529d2dbbc9a9e28861aac1 [0,1,0,1,0,0|0,0,0]=2 17974 B11R1.28 CCCCO[C@@H]1CCCOC1 76b964cddf72514bedf80202ed3e7a06 [0,1,0,1,0,0|0,0,0]=2 17975 B11R1.28 CCCCO[C@H]1CCCOC1 9f7a3bf7e5b7e495c6b0685f6ef9d2d9 [0,1,0,1,0,0|0,0,0]=2 17976 B11R1.28 CCCNCC1=CCCCC1 6d8d5e2e616fa115caf3395893b142f2 [0,1,0,1,0,0|1,0,1]=4 17977 B11R1.28 CCCNCC1CCCCC1 d57d75a8c5a99c98c9e00aaf0dac4e8e [0,1,0,1,0,0|1,0,0]=3 17978 B11R1.28 CCCNCC1CCCCO1 fe32d4ffbdc5749c38e47cf869213fa5 [0,1,0,1,0,0|0,0,0]=2 17979 B11R1.28 CCCNCC1CCCOC1 67d90b054c31d898f4946882df762eb2 [0,1,0,1,0,0|2,0,0]=4 17980 B11R1.28 CCCNCC1CCOCC1 923272e434247a2e6ddd74e94ac9c385 [0,1,0,1,0,0|2,0,0]=4 17981 B11R1.28 CCCNCC1CCSCC1 4a04a7f7c93098e0e4d7270a1d3f7caa [0,1,0,1,0,0|2,0,0]=4 17982 B11R1.28 CCCNCC1COCCO1 ed3557b82f8e084d504cdedb116e42d8 [0,1,0,1,0,0|1,0,0]=3 17983 B11R1.28 CCCNC[C@@H]1CCCOC1 d9e4e27e5401c0756a055952e9b2275d [0,1,0,1,0,0|2,0,0]=4 17984 B11R1.28 CCCNC[C@H]1CCCOC1 96507b1af994998589d4527a37dcf9f0 [0,1,0,1,0,0|2,0,0]=4 17985 B11R1.28 CCCNC[C@H]1COCCO1 76f9b05e4c1d6229a6a7e19c907faf38 [0,1,0,1,0,0|1,0,0]=3 17986 B11R1.28 CCCOCC1=CCCCO1 fd0a4208366709896cb1e56da0f533fc [0,1,0,1,0,0|0,0,2]=4 17987 B11R1.28 CCCOCC1CCC=CO1 e89dcca9344c6e6ffe5fd85c14cfe540 [0,1,0,1,0,0|0,0,2]=4 17988 B11R1.28 CCCOCC1CCCCC1 a40e97204a11eb00ef961e0329142e58 [0,1,0,1,0,0|1,0,0]=3 17989 B11R1.28 CCCOCC1CCCCO1 90f98ba9e9eadc1d9df337afb14e5eef [0,1,0,1,0,0|0,0,0]=2 17990 B11R1.28 CCCOCC1CCCOC1 bc76e5d72680f980fe3e82eb083b157e [0,1,0,1,0,0|2,0,0]=4 17991 B11R1.28 CCCOCC1CCOCC1 3229f1aa26cacbd34eaf1ba6443a14eb [0,1,0,1,0,0|2,0,0]=4 17992 B11R1.28 CCCOCC1CCSCC1 d6dbd4199228a9dc0915dbaecf7046d9 [0,1,0,1,0,0|2,0,0]=4 17993 B11R1.28 CCCOCC1COCCO1 d373cb86d24bc03b4f5de11ba9c8dd0b [0,1,0,1,0,0|1,0,0]=3 17994 B11R1.28 CCCOC[C@@H]1CCCCO1 20a5d3e0feb8c992886908978ec6f96d [0,1,0,1,0,0|0,0,0]=2 17995 B11R1.28 CCCOC[C@@H]1CCCOC1 24a0567a60a59f6a00220b24c33e7478 [0,1,0,1,0,0|2,0,0]=4 17996 B11R1.28 CCCOC[C@@H]1COCCO1 399dd8b05ea70e6a33ab405f8465f1ec [0,1,0,1,0,0|1,0,0]=3 17997 B11R1.28 CCCOC[C@H]1CCCCO1 6cb49fd295b71bf392a373607d504cfc [0,1,0,1,0,0|0,0,0]=2 17998 B11R1.28 CCCOC[C@H]1CCCOC1 85e9a301351c961de50f44cf9c85bb85 [0,1,0,1,0,0|2,0,0]=4 17999 B11R1.28 CCCOC[C@H]1COCCO1 61da58f2af21a43cf6549adc8199e648 [0,1,0,1,0,0|1,0,0]=3 18000 B11R1.28 CCNCCC1=CCCCC1 ab5a37ea6e07b1f74ecd0412b642a299 [0,1,0,1,0,0|1,0,1]=4 18001 B11R1.28 CCNCCC1CCCCC1 2e867833c56674d23036d88c814c9550 [0,1,0,1,0,0|1,0,0]=3 18002 B11R1.28 CCNCCC1CCCCO1 0514cc2009abea27205eb2d4527ea2a3 [0,1,0,1,0,0|0,0,0]=2 18003 B11R1.28 CCNCCC1CCCOC1 97eeccda4adb42457b18a5a9b4a8e19b [0,1,0,1,0,0|2,0,0]=4 18004 B11R1.28 CCNCCC1CCOCC1 3ecda4850b06fd9ef45d681b61acee92 [0,1,0,1,0,0|2,0,0]=4 18005 B11R1.28 CCNCCC1CCSCC1 5f49c19144487c6829e2937530c700d3 [0,1,0,1,0,0|2,0,0]=4 18006 B11R1.28 CCNCCC1COCCO1 43d21b9749475a28ebf4e260baab8d3d [0,1,0,1,0,0|1,0,0]=3 18007 B11R1.28 CCNCCN1CCCCC1 965f48ba0b732fa74a0c7768fe79cfc2 [0,1,0,1,0,0|1,0,0]=3 18008 B11R1.28 CCNCCN1CCOCC1 4a46ad1ea685292c828eb996563df7cc [0,1,0,1,0,0|2,0,0]=4 18009 B11R1.28 CCNCCN1CCSCC1 d0b4f6a2aa5f7f7c1e4963e56b18e5a5 [0,1,0,1,0,0|2,0,0]=4 18010 B11R1.28 CCOCC=C1CCCCC1 b58dc2a1874fdedaac4eb136a0ecf1fb [0,1,0,1,0,0|1,0,1]=4 18011 B11R1.28 CCOCCC1CCCCC1 41db2982246c499a6c04bf31353c607f [0,1,0,1,0,0|1,0,0]=3 18012 B11R1.28 CCOCCC1CCCCO1 0eb2e7b6ffe2601ad6e04d63bcdae13d [0,1,0,1,0,0|0,0,0]=2 18013 B11R1.28 CCOCCC1CCOCC1 1d8792aa07e80f216ca0378a44550a62 [0,1,0,1,0,0|2,0,0]=4 18014 B11R1.28 CCOCCC1CCSCC1 2e442cb80bdc2d978aed94b4b74ee4b0 [0,1,0,1,0,0|2,0,0]=4 18015 B11R1.28 CCOCCC1COCCO1 a0f15d9fb996534b4cdb5208ddc95c47 [0,1,0,1,0,0|1,0,0]=3 18016 B11R1.28 CCOCCC1SCCCS1 ef4d2e450619a682ea423adafe6a1308 [0,1,0,1,0,0|1,1,0]=4 18017 B11R1.28 CCOCCN1CCCCC1 8eda9c4e0637b98680d02f19e5d66e30 [0,1,0,1,0,0|1,0,0]=3 18018 B11R1.28 CCOCCN1CCCOC1 8fa10f0837835635f32403adbbbb971e [0,1,0,1,0,0|2,0,0]=4 18019 B11R1.28 CCOCCN1CCCSC1 38b5ac7c7e580f3307762b1ee205af00 [0,1,0,1,0,0|2,0,0]=4 18020 B11R1.28 CCOCCN1CCOCC1 94791855d30576d89fe94bf2a52b902b [0,1,0,1,0,0|2,0,0]=4 18021 B11R1.28 CCOCCN1CCSCC1 446adc0836a62d1e377a3399edb5c6ae [0,1,0,1,0,0|2,0,0]=4 18022 B11R1.28 CCOCC[C@@H]1COCCO1 af7c6d7fe58ce08ff7c192e8f2109968 [0,1,0,1,0,0|1,0,0]=3 18023 B11R1.28 CCOCC[C@H]1COCCO1 2c3e5d7679458cacfefb08b815331ec5 [0,1,0,1,0,0|1,0,0]=3 18024 B11R1.28 CCOCNC1CCCOC1 276dd988cf245611004eb726cab83147 [0,1,0,1,0,0|2,0,0]=4 18025 B11R1.28 CCOCNC1CCOCC1 4b2523a7b0383333e872f429d7f9cf67 [0,1,0,1,0,0|2,0,0]=4 18026 B11R1.28 CCOCNC1CCSCC1 b90a08a24b26b4ca6082646f7cd62d85 [0,1,0,1,0,0|2,0,0]=4 18027 B11R1.28 CCOCN[C@@H]1CCCOC1 04f1260b118f90dda16b0fbade59a14b [0,1,0,1,0,0|2,0,0]=4 18028 B11R1.28 CCOCN[C@H]1CCCOC1 4de1176f2580ea958958dbf4f5863f57 [0,1,0,1,0,0|2,0,0]=4 18029 B11R1.28 CCOCOC1C=CCCC1 497b3b25a6f29e139751b0f2cf090c59 [0,1,0,1,0,0|1,0,1]=4 18030 B11R1.28 CCOCOC1CC=CCC1 465cfeabe804ad71944524a67da83bdb [0,1,0,1,0,0|1,0,1]=4 18031 B11R1.28 CCOCOC1CCCCC1 bce8c02398227889de43c612ff29ff76 [0,1,0,1,0,0|1,0,0]=3 18032 B11R1.28 CCOCOC1CCCCO1 0f4524c2e8e813e351421dedcc9df42d [0,1,0,1,0,0|1,0,0]=3 18033 B11R1.28 CCOCOC1CCCOC1 54848797e4c92fdebbde3add40be7dba [0,1,0,1,0,0|1,0,0]=3 18034 B11R1.28 CCOCOC1CCCSC1 5ca94486005ee4b1d325b8fd3012abb6 [0,1,0,1,0,0|1,0,0]=3 18035 B11R1.28 CCOCOC1CCOCC1 dcaade846844018d58bbd5fd34920f79 [0,1,0,1,0,0|1,0,0]=3 18036 B11R1.28 CCOCOC1CCSCC1 4cf60e72b2aa2ab30cd1242f6e27bb7c [0,1,0,1,0,0|1,0,0]=3 18037 B11R1.28 CCOCO[C@@H]1CCCOC1 1204b2c5b2ff8f81fd0cd971687941d0 [0,1,0,1,0,0|1,0,0]=3 18038 B11R1.28 CCOCO[C@H]1CCCOC1 9f50be20fe373bc244643ba8464454ec [0,1,0,1,0,0|1,0,0]=3 18039 B11R1.28 CCSCCN1CCCOC1 2b4f86a8822bab606f431ad7186c6373 [0,1,0,1,0,0|2,0,0]=4 18040 B11R1.28 CCSCCN1CCCSC1 f4f48ac130b3b8d8b611590eb8e11123 [0,1,0,1,0,0|2,0,0]=4 18041 B11R1.28 CCSCCN1CCOCC1 eaf90a7a9b01cf36018c6f2dd9a9d766 [0,1,0,1,0,0|2,0,0]=4 18042 B11R1.28 CCSCCN1CCSCC1 28586ebf4294a35fcc674cc084ae0aa4 [0,1,0,1,0,0|2,0,0]=4 18043 B11R1.28 COCCCN1CCCOC1 61cfc1df89ab0bf076e9c55061ef442e [0,1,0,1,0,0|2,0,0]=4 18044 B11R1.28 COCCCN1CCCSC1 16640674c620b46829aeb68cbd21ed2c [0,1,0,1,0,0|2,0,0]=4 18045 B11R1.28 COCCCN1CCOCC1 c1f3409d958761ca6253cb9373b28762 [0,1,0,1,0,0|2,0,0]=4 18046 B11R1.28 COCCCN1CCSCC1 79d6cbec7afd07defb8034c9df2c2d30 [0,1,0,1,0,0|2,0,0]=4 18047 B11R1.28 COCCNC1CCCCC1 8a077bd22d51dc37daa212ddc9966b72 [0,1,0,1,0,0|2,0,0]=4 18048 B11R1.28 COCCNC1CCCCO1 bea2b628b27bcf9aab0e592d94fe689c [0,1,0,1,0,0|1,0,0]=3 18049 B11R1.28 COCCNC1CCCOC1 cc52b9085092aa35ec918078835f1da7 [0,1,0,1,0,0|2,0,0]=4 18050 B11R1.28 COCCNC1CCOCC1 c2e9eee455389e0d420054ac30c94f62 [0,1,0,1,0,0|2,0,0]=4 18051 B11R1.28 COCCNC1CCSCC1 518fdfb7b079725a27581fb17d1e7c45 [0,1,0,1,0,0|2,0,0]=4 18052 B11R1.28 COCCN[C@@H]1CCCOC1 4ce679ac880aae4afcc6914656c9d7d7 [0,1,0,1,0,0|2,0,0]=4 18053 B11R1.28 COCCN[C@H]1CCCOC1 3e054693754667152acc9663f22879e2 [0,1,0,1,0,0|2,0,0]=4 18054 B11R1.28 COCCOC1C=CCCC1 6ed6ff9ad0fa38e63ab7fdd633bed01c [0,1,0,1,0,0|1,0,1]=4 18055 B11R1.28 COCCOC1CC=CCC1 41914223fcc3bc65b26e4c9c9cd4f48a [0,1,0,1,0,0|1,0,1]=4 18056 B11R1.28 COCCOC1CCCCC1 89747c8b73267e9a27e120d58cc56307 [0,1,0,1,0,0|1,0,0]=3 18057 B11R1.28 COCCOC1CCCCO1 aae3bc5c1d62193f2f13eec11013a254 [0,1,0,1,0,0|1,0,0]=3 18058 B11R1.28 COCCOC1CCCOC1 6b5cc6947fdf6c8934052a7aecb9ccf5 [0,1,0,1,0,0|1,0,0]=3 18059 B11R1.28 COCCOC1CCCSC1 b6bbdb248cda39ffa54df0ae744854c1 [0,1,0,1,0,0|1,0,0]=3 18060 B11R1.28 COCCOC1CCOCC1 9d61df31f053de48ddd4470bd95edb76 [0,1,0,1,0,0|1,0,0]=3 18061 B11R1.28 COCCOC1CCSCC1 08bc48d003711e3396866158d0bca02d [0,1,0,1,0,0|1,0,0]=3 18062 B11R1.28 COCCO[C@@H]1CCCOC1 f53889746bbbc07f008c77e89f407d37 [0,1,0,1,0,0|1,0,0]=3 18063 B11R1.28 COCCO[C@H]1CCCOC1 bead6eb304517d59a51b85e1e13be444 [0,1,0,1,0,0|1,0,0]=3 18064 B11R1.28 COCNCC1CCCCC1 84ad299e5cff9e57ef4201283978b6ba [0,1,0,1,0,0|2,0,0]=4 18065 B11R1.28 COCNCC1CCCCO1 75f74c7e00120e01dfafa6c3099cba08 [0,1,0,1,0,0|1,0,0]=3 18066 B11R1.28 COCNCC1COCCO1 533b6d4efcb16448da85da58d86dd8b2 [0,1,0,1,0,0|2,0,0]=4 18067 B11R1.28 COCNC[C@H]1COCCO1 8b866bf6e5a4a0512b5b43ae3a770f87 [0,1,0,1,0,0|2,0,0]=4 18068 B11R1.28 COCOCC1CCCCC1 a2256e490d9ce6f557bed254cd5f15ef [0,1,0,1,0,0|2,0,0]=4 18069 B11R1.28 COCOCC1CCCCO1 abdc3aff433495bd3417250fa96b3f5e [0,1,0,1,0,0|1,0,0]=3 18070 B11R1.28 COCOCC1COCCO1 4b1b0860955c402ecdf8874e26a47fbd [0,1,0,1,0,0|2,0,0]=4 18071 B11R1.28 COCOC[C@@H]1CCCCO1 4c389b580c190708168cdbed880fb514 [0,1,0,1,0,0|1,0,0]=3 18072 B11R1.28 COCOC[C@@H]1COCCO1 59561e3184869eb15b5a430499896192 [0,1,0,1,0,0|2,0,0]=4 18073 B11R1.28 COCOC[C@H]1CCCCO1 29174a6964b3c17a5ab2af6015adccec [0,1,0,1,0,0|1,0,0]=3 18074 B11R1.28 COCOC[C@H]1COCCO1 e959419c8ed91aa99ee3e1b4a69d4e59 [0,1,0,1,0,0|2,0,0]=4 18075 B11R1.28 CSCCCN1CCCOC1 5d6ee1ed85c55cfe9ba09309200dfa01 [0,1,0,1,0,0|2,0,0]=4 18076 B11R1.28 CSCCCN1CCCSC1 9111931e6ee1a59808bfaa5d695add5c [0,1,0,1,0,0|2,0,0]=4 18077 B11R1.28 CSCCCN1CCOCC1 5ed05d484575ec524b90514cf8bef4eb [0,1,0,1,0,0|2,0,0]=4 18078 B11R1.28 CSCCCN1CCSCC1 1ae47f6a7010402d34b7fcbb74d1e0e9 [0,1,0,1,0,0|2,0,0]=4 18079 B11R1.28 CSCCNC1CCCCC1 7e4b2f9029968206af1e4d6932879c83 [0,1,0,1,0,0|2,0,0]=4 18080 B11R1.28 CSCCNC1CCCCO1 e6e1a4c4d0deb561ada7425be0343af2 [0,1,0,1,0,0|1,0,0]=3 18081 B11R1.28 CSCCNC1CCCOC1 c49bbf16d5b08beb29ec2189595c402f [0,1,0,1,0,0|2,0,0]=4 18082 B11R1.28 CSCCNC1CCOCC1 4736a8c0333f9a0c21043d454069feef [0,1,0,1,0,0|2,0,0]=4 18083 B11R1.28 CSCCNC1CCSCC1 8722b8f0347d7e36a9efa1a00d0c8091 [0,1,0,1,0,0|2,0,0]=4 18084 B11R1.28 CSCCN[C@@H]1CCCOC1 a0271d9d36923e5bae02464dd8949da3 [0,1,0,1,0,0|2,0,0]=4 18085 B11R1.28 CSCCN[C@H]1CCCOC1 907526eba431ecc93a621d3ea6672af9 [0,1,0,1,0,0|2,0,0]=4 18086 B11R1.28 CSCCOC1C=CCCC1 56b03bf6922cbca1392c684f1ae33045 [0,1,0,1,0,0|1,0,1]=4 18087 B11R1.28 CSCCOC1CC=CCC1 3bdbb472946d8a3f548870c8b4cba09b [0,1,0,1,0,0|1,0,1]=4 18088 B11R1.28 CSCCOC1CCCCC1 22ac0590a2acde06c0b7b58e1c97187f [0,1,0,1,0,0|1,0,0]=3 18089 B11R1.28 CSCCOC1CCCCO1 149c50f1501a789f8c6e7e67569096d1 [0,1,0,1,0,0|1,0,0]=3 18090 B11R1.28 CSCCOC1CCCOC1 29a42dec9f7ea273f55db1d8ec652077 [0,1,0,1,0,0|1,0,0]=3 18091 B11R1.28 CSCCOC1CCCSC1 42df1e315a19cae86755316ab0ddd7bf [0,1,0,1,0,0|1,0,0]=3 18092 B11R1.28 CSCCOC1CCOCC1 eec88b906ac4bbe66393c7871b80cf46 [0,1,0,1,0,0|1,0,0]=3 18093 B11R1.28 CSCCOC1CCSCC1 e8eef839a806863eb97bc1e0f7512ba5 [0,1,0,1,0,0|1,0,0]=3 18094 B11R1.28 CSCCO[C@@H]1CCCOC1 5e5dd83a59023f88057f0451ba47fbda [0,1,0,1,0,0|1,0,0]=3 18095 B11R1.28 CSCCO[C@H]1CCCOC1 014b0711191451d4040fbd35996f06c1 [0,1,0,1,0,0|1,0,0]=3 18096 B11R1.28 CSCNCC1CCCCC1 7a0112d9d7f0843f2a8e95c448ef7b4b [0,1,0,1,0,0|2,0,0]=4 18097 B11R1.28 CSCNCC1CCCCO1 692feb7ee414c11e2a64f4f94fb38471 [0,1,0,1,0,0|1,0,0]=3 18098 B11R1.28 CSCNCC1COCCO1 51222fe95a455aa2ba3505f81ec74bb5 [0,1,0,1,0,0|2,0,0]=4 18099 B11R1.28 CSCNC[C@H]1COCCO1 a46ff7bc4ad1c8e6b05bb06eaf5cd930 [0,1,0,1,0,0|2,0,0]=4 18100 B11R1.28 CSCOCC1CCCCC1 c0e507d9b0b8d0f33654353ab733b4e9 [0,1,0,1,0,0|2,0,0]=4 18101 B11R1.28 CSCOCC1CCCCO1 8e01f9bfd7b853754075c877cc79b9e4 [0,1,0,1,0,0|1,0,0]=3 18102 B11R1.28 CSCOCC1COCCO1 cafa795fe6ad1cb30c128d6a1833bd7c [0,1,0,1,0,0|2,0,0]=4 18103 B11R1.28 CSCOC[C@@H]1CCCCO1 30effe68ec12a71101c3df4d991df6ae [0,1,0,1,0,0|1,0,0]=3 18104 B11R1.28 CSCOC[C@@H]1COCCO1 4812e0c4a32d08d2f1a713ad395e2817 [0,1,0,1,0,0|2,0,0]=4 18105 B11R1.28 CSCOC[C@H]1CCCCO1 a3c6230f487104272597aca9b9b68532 [0,1,0,1,0,0|1,0,0]=3 18106 B11R1.28 CSCOC[C@H]1COCCO1 870a50c9320bebbebef0fdafefc309a2 [0,1,0,1,0,0|2,0,0]=4 18107 B11R1.28 ClCCCNC1CCCCC1 4a562ae49183dcc672681afa504fe99c [0,1,0,1,0,0|2,0,0]=4 18108 B11R1.28 ClCCCNC1CCCCO1 42fda894494d5481d0e86e19e281c06b [0,1,0,1,0,0|1,0,0]=3 18109 B11R1.28 ClCCCNC1CCCOC1 e5629011090721dbdb0d1707259be37a [0,1,0,1,0,0|2,0,0]=4 18110 B11R1.28 ClCCCNC1CCOCC1 92fd76ecf5f9add33fbf0ac7f41d5c6a [0,1,0,1,0,0|2,0,0]=4 18111 B11R1.28 ClCCCNC1CCSCC1 9eaff13077f2476170345261a0c7e449 [0,1,0,1,0,0|2,0,0]=4 18112 B11R1.28 FCCCCN1CCCOC1 5595a2920a9d8180066e6ddbbb1e5e51 [0,1,0,1,0,0|2,0,0]=4 18113 B11R1.28 FCCCCN1CCCSC1 acf2559c8a86c34405f4cfc8919b97ef [0,1,0,1,0,0|2,0,0]=4 18114 B11R1.28 FCCCCN1CCOCC1 b42a25d69eb37a08493c9f5c91a030f2 [0,1,0,1,0,0|2,0,0]=4 18115 B11R1.28 FCCCCN1CCSCC1 b8539da27b578bd33426d430a18fd400 [0,1,0,1,0,0|2,0,0]=4 18116 B11R1.28 FCCCNC1CCCOC1 1e5e9ad375dbce4b3e7ec25e78c0cc8c [0,1,0,1,0,0|2,0,0]=4 18117 B11R1.28 FCCCNC1CCOCC1 93a001878c2dc12a8c6804686a0a7b6a [0,1,0,1,0,0|2,0,0]=4 18118 B11R1.28 FCCCNC1CCSCC1 d44cc16bb44b6f23dff3aa11d624b336 [0,1,0,1,0,0|2,0,0]=4 18119 B11R1.28 FCCCN[C@@H]1CCCOC1 be2f9466559bd40b3bc49682f16634d5 [0,1,0,1,0,0|2,0,0]=4 18120 B11R1.28 FCCCN[C@H]1CCCOC1 87d22372776aef67fc675448d19a261b [0,1,0,1,0,0|2,0,0]=4 18121 B11R1.28 FCCCOC1C=CCCC1 ba2dda38ccc25a12f120133931fa14b2 [0,1,0,1,0,0|1,0,1]=4 18122 B11R1.28 FCCCOC1CC=CCC1 8080d7309a2fd4fbc0eb552c9f92d19b [0,1,0,1,0,0|1,0,1]=4 18123 B11R1.28 FCCCOC1CCCCC1 da6d8f04453b061b9af4cd595a01691d [0,1,0,1,0,0|1,0,0]=3 18124 B11R1.28 FCCCOC1CCCCO1 008cb57abe4f539402bb74e74c3949af [0,1,0,1,0,0|1,0,0]=3 18125 B11R1.28 FCCCOC1CCCOC1 161d818fcfb9d6c298f54c8a0cfcba91 [0,1,0,1,0,0|1,0,0]=3 18126 B11R1.28 FCCCOC1CCCSC1 26b6404a913adbab7a4da6ad8d8d21a8 [0,1,0,1,0,0|1,0,0]=3 18127 B11R1.28 FCCCOC1CCOCC1 f566874843ac0c9c7c7c975bc147a9d1 [0,1,0,1,0,0|1,0,0]=3 18128 B11R1.28 FCCCOC1CCSCC1 5382e11a0927ff864633cc610e6b8ef3 [0,1,0,1,0,0|1,0,0]=3 18129 B11R1.28 FCCCO[C@@H]1CCCOC1 3134e2c585b7558ec32bdd773b45ac25 [0,1,0,1,0,0|1,0,0]=3 18130 B11R1.28 FCCCO[C@H]1CCCOC1 2d6afe103707111582f8547cb0f2c51a [0,1,0,1,0,0|1,0,0]=3 18131 B11R1.28 FCCNCC1CCCCC1 5427d4d3480a7bcf4fc771fab34204f7 [0,1,0,1,0,0|2,0,0]=4 18132 B11R1.28 FCCNCC1CCCCO1 8a0b45a6ec02c577180a0e976ef9a2a3 [0,1,0,1,0,0|1,0,0]=3 18133 B11R1.28 FCCNCC1COCCO1 a5755cf95f904a34569cf3df69f0fe14 [0,1,0,1,0,0|2,0,0]=4 18134 B11R1.28 FCCNC[C@H]1COCCO1 26b24e50646152582bad20e29928bd96 [0,1,0,1,0,0|2,0,0]=4 18135 B11R1.28 FCCOCC1CCCCC1 72eea73dfa6eadd6da2ce328c0a192c0 [0,1,0,1,0,0|2,0,0]=4 18136 B11R1.28 FCCOCC1CCCCO1 12c3d7e4501cabab4113070366eb5398 [0,1,0,1,0,0|1,0,0]=3 18137 B11R1.28 FCCOCC1COCCO1 c4419c04f82341f9807e47d9faffc168 [0,1,0,1,0,0|2,0,0]=4 18138 B11R1.28 FCCOC[C@@H]1CCCCO1 9b448c6463fff37a51b6fc8419c662ab [0,1,0,1,0,0|1,0,0]=3 18139 B11R1.28 FCCOC[C@@H]1COCCO1 0ffde1c0d03cf5779d99262a14f2d6e9 [0,1,0,1,0,0|2,0,0]=4 18140 B11R1.28 FCCOC[C@H]1CCCCO1 3472adcec135aff3b4a29d5aa3cf27bc [0,1,0,1,0,0|1,0,0]=3 18141 B11R1.28 FCCOC[C@H]1COCCO1 556bfeacf037185eef1347e9c3747e29 [0,1,0,1,0,0|2,0,0]=4 18142 B11R1.28 FCNCCC1CCCCC1 5bdf27448e2514e957a1dd6b1e39977e [0,1,0,1,0,0|2,0,0]=4 18143 B11R1.28 FCNCCC1CCCCO1 6266a434236976df09ce0cddacdb85f2 [0,1,0,1,0,0|1,0,0]=3 18144 B11R1.28 FCNCCC1COCCO1 d80666683717f0d6d942e532c297a998 [0,1,0,1,0,0|2,0,0]=4 18145 B11R1.28 FCNCCN1CCCCC1 8e4ded29f9aff8fd9c58109ba022f388 [0,1,0,1,0,0|2,0,0]=4 18146 B11R1.28 FCOCCC1CCCCC1 47d5c12944f0e4db7a16d1e5b9471e6e [0,1,0,1,0,0|2,0,0]=4 18147 B11R1.28 FCOCCC1CCCCO1 ddd1b9bd831f5b4fd11b7c0ee52267ac [0,1,0,1,0,0|1,0,0]=3 18148 B11R1.28 FCOCCC1COCCO1 467e3efd3b867f1ec4b45e2a2eae8749 [0,1,0,1,0,0|2,0,0]=4 18149 B11R1.28 FCOCCN1CCCCC1 512c503efc71559c2bdfdb0b8a08198c [0,1,0,1,0,0|2,0,0]=4 18150 B11R1.28 FCOCC[C@@H]1COCCO1 27e06081eabf669166c1ca32e85f40d8 [0,1,0,1,0,0|2,0,0]=4 18151 B11R1.28 FCOCC[C@H]1COCCO1 d24f1998c384b576e397c01e9e60e675 [0,1,0,1,0,0|2,0,0]=4 18152 B11R1.28 ICCNCC1CCCCC1 5c536d95b0515c5d732fd425d1673036 [0,1,0,1,0,0|2,0,0]=4 18153 B11R1.28 ICCNCC1CCCCO1 efa608e09b31198b922d44a083c5a3e1 [0,1,0,1,0,0|1,0,0]=3 18154 B11R1.28 ICCNCC1COCCO1 0aa5f3a3dedda12a5940845806e09fb5 [0,1,0,1,0,0|2,0,0]=4 18155 B11R1.28 N#CCCNC1CCCCO1 b5159a211037867a571d8ef4a5687c37 [0,1,0,1,0,0|1,0,1]=4 18156 B11R1.28 N#CCCOC1CCCCC1 9fc3efb7674bbb97a91c8ea9ed4b8341 [0,1,0,1,0,0|1,0,1]=4 18157 B11R1.28 N#CCCOC1CCCCO1 20d73183ae29724156371b9e4e0dac62 [0,1,0,1,0,0|1,0,1]=4 18158 B11R1.28 N#CCCOC1CCCOC1 1f7dc383d559adff15dd9a20bcd4390b [0,1,0,1,0,0|1,0,1]=4 18159 B11R1.28 N#CCCOC1CCCSC1 032cd11614d53c1c68af41f01868d1a4 [0,1,0,1,0,0|1,0,1]=4 18160 B11R1.28 N#CCCOC1CCOCC1 ae04ad3c6cce4672eee83460d5a812ad [0,1,0,1,0,0|1,0,1]=4 18161 B11R1.28 N#CCCOC1CCSCC1 7b9e37f6c69b818b4a5903a830ad3ef9 [0,1,0,1,0,0|1,0,1]=4 18162 B11R1.28 N#CCCO[C@@H]1CCCOC1 f5b4bb2362e4c08da83853085cf44bab [0,1,0,1,0,0|1,0,1]=4 18163 B11R1.28 N#CCCO[C@H]1CCCOC1 427cfd092f7f08fa9823a5b0b5a6b2fc [0,1,0,1,0,0|1,0,1]=4 18164 B11R1.28 N#CCNCC1CCCCO1 d687967f4ef30e25a3614c5f394adcf7 [0,1,0,1,0,0|1,0,1]=4 18165 B11R1.28 N#CCOCC1CCCCO1 5b03ee60349e4317b2b2c1a47375b912 [0,1,0,1,0,0|1,0,1]=4 18166 B11R1.28 N#CCOC[C@@H]1CCCCO1 5d2a4d1ada799c7a9bca907779411c79 [0,1,0,1,0,0|1,0,1]=4 18167 B11R1.28 N#CCOC[C@H]1CCCCO1 fbbaa312cc96257f19bbe18016a31c5b [0,1,0,1,0,0|1,0,1]=4 18168 B11R1.28 NOCCNC1CCCCO1 1585f0603af6f65e588aef234f1967c4 [0,1,0,1,0,0|2,0,0]=4 18169 B11R1.28 O=CCCOC1CCCCC1 645c96a53a3cbc5d81abe2f23a3ce3dd [0,1,0,1,0,0|1,0,1]=4 18170 B11R1.28 O=CCCOC1CCCCO1 54a4dbf23bbe0e0ef9d7403df910fc3b [0,1,0,1,0,0|1,0,1]=4 18171 B11R1.28 O=CCCOC1CCCOC1 d505233fbaa391a22f2e95c0f424fcf2 [0,1,0,1,0,0|1,0,1]=4 18172 B11R1.28 O=CCCOC1CCCSC1 547919c60df0b9c1a9b244c85e0cda42 [0,1,0,1,0,0|1,0,1]=4 18173 B11R1.28 O=CCCOC1CCOCC1 ba9cd8b54cc02e97a15fbaf55afc62ee [0,1,0,1,0,0|1,0,1]=4 18174 B11R1.28 O=CCCOC1CCSCC1 a9ff16b8eeac4279546f1131748045bf [0,1,0,1,0,0|1,0,1]=4 18175 B11R1.28 O=CCCO[C@@H]1CCCOC1 befbfe1280608682ff0ff398c8df937b [0,1,0,1,0,0|1,0,1]=4 18176 B11R1.28 O=CCCO[C@H]1CCCOC1 01084d62fa7c8bf8db5a686ba9966eab [0,1,0,1,0,0|1,0,1]=4 18177 B11R1.28 O=CCNCC1CCCCO1 e34a82bc0f04e89e34ad8322fd2514ec [0,1,0,1,0,0|1,0,1]=4 18178 B11R1.28 O=CCOCC1CCCCO1 91292454926d4369eb7f66eaf2c652a9 [0,1,0,1,0,0|1,0,1]=4 18179 B11R1.28 O=CCOC[C@@H]1CCCCO1 f9c127b38bd1c4b88be283376fec901e [0,1,0,1,0,0|1,0,1]=4 18180 B11R1.28 O=CCOC[C@H]1CCCCO1 8e7b529e748cdcc0d5c00876bb8614ec [0,1,0,1,0,0|1,0,1]=4 18181 B11R1.28 O=CNCCC1CCCCO1 f1a2bf8898129b06fd6a78dc89723693 [0,1,0,1,0,0|1,0,1]=4 18182 B11R1.28 OCCCCN1CCCOC1 f0484e3c52a4a1e2d4e9dfaba391719c [0,1,0,1,0,0|2,0,0]=4 18183 B11R1.28 OCCCCN1CCCSC1 6117e7b6d3e8c3911ab3f3265bb9bd78 [0,1,0,1,0,0|2,0,0]=4 18184 B11R1.28 OCCCCN1CCOCC1 14a76811f2f3d90f7f5007e432f4f8dd [0,1,0,1,0,0|2,0,0]=4 18185 B11R1.28 OCCCCN1CCSCC1 303c85218b40a9e08cda2f9e895846e9 [0,1,0,1,0,0|2,0,0]=4 18186 B11R1.28 OCCCNC1CCCCC1 11a7a7781105afae04cf0eaaf16b5aa1 [0,1,0,1,0,0|2,0,0]=4 18187 B11R1.28 OCCCNC1CCCCO1 4762660d5ae75f80da5d9ce6c70081cf [0,1,0,1,0,0|1,0,0]=3 18188 B11R1.28 OCCCNC1CCCOC1 b1f7bc488d32b93040e6bd0a89609a77 [0,1,0,1,0,0|2,0,0]=4 18189 B11R1.28 OCCCNC1CCOCC1 8a6c1391b01d3cf9df09265c7f8c2415 [0,1,0,1,0,0|2,0,0]=4 18190 B11R1.28 OCCCNC1CCSCC1 f5caedaa47061e8c3f24ff0b707ecd72 [0,1,0,1,0,0|2,0,0]=4 18191 B11R1.28 OCCCN[C@@H]1CCCOC1 707326e9227cb0d0c4397bec6dba8007 [0,1,0,1,0,0|2,0,0]=4 18192 B11R1.28 OCCCN[C@H]1CCCOC1 3adaa45a7d05186aa6105f96c1a230eb [0,1,0,1,0,0|2,0,0]=4 18193 B11R1.28 OCCNCC1CCCCC1 e116e6fe6cf50ae26cbc6aa1c79b1b6b [0,1,0,1,0,0|2,0,0]=4 18194 B11R1.28 OCCNCC1CCCCO1 39c6bfe66df72ec97acad7889c1eb1d0 [0,1,0,1,0,0|1,0,0]=3 18195 B11R1.28 OCCNCC1COCCO1 c7ff3ccf73d246e0680c44fda806b115 [0,1,0,1,0,0|2,0,0]=4 18196 B11R1.28 OCCNC[C@H]1COCCO1 f662322424c4a0d28377cfc7656a7733 [0,1,0,1,0,0|2,0,0]=4 18197 B11R1.28 OCNCCC1CCCCC1 5efc6e566b59ea85b5b691a2ceb88c55 [0,1,0,1,0,0|2,0,0]=4 18198 B11R1.28 OCNCCC1CCCCO1 2f862ebddde7e04bf751de49873bbb87 [0,1,0,1,0,0|1,0,0]=3 18199 B11R1.28 OCNCCC1COCCO1 421b9a7b3b5358210416e6e437690329 [0,1,0,1,0,0|2,0,0]=4 18200 B11R1.28 OCNCCN1CCCCC1 5e5ae65c4abb32c7764f203f3ec93ad2 [0,1,0,1,0,0|2,0,0]=4 18201 B11R1.28 SCCCNC1CCCOC1 85639d80d12c091fdf72a5cc496f2dcb [0,1,0,1,0,0|2,0,0]=4 18202 B11R1.28 SCCCNC1CCOCC1 d4c30d193ce697daa2a7c735f137c4f7 [0,1,0,1,0,0|2,0,0]=4 18203 B11R1.28 SCCCNC1CCSCC1 6851ce053fe8d878bbd50608a235e062 [0,1,0,1,0,0|2,0,0]=4 18204 B11R1.28 SCCCN[C@@H]1CCCOC1 555226897ce669747be87b600c0f9dab [0,1,0,1,0,0|2,0,0]=4 18205 B11R1.28 SCCCN[C@H]1CCCOC1 6310a14b01e9135aa34ead87b3738bfb [0,1,0,1,0,0|2,0,0]=4 18206 B11R1.28 SCCCOC1C=CCCC1 9ad13e53ad8bd9ac18407ba02bc45308 [0,1,0,1,0,0|1,0,1]=4 18207 B11R1.28 SCCCOC1CC=CCC1 9ff95b2f315b78f64fd8236005ad6c9d [0,1,0,1,0,0|1,0,1]=4 18208 B11R1.28 SCCCOC1CCCCC1 da2c6989cda21de68fbeb93b91e0ede6 [0,1,0,1,0,0|1,0,0]=3 18209 B11R1.28 SCCCOC1CCCCO1 c9b93223355c1e89e9d5baebd311e1f8 [0,1,0,1,0,0|1,0,0]=3 18210 B11R1.28 SCCCOC1CCCOC1 9ea3132b41afd0c5dc9feb61ca305f68 [0,1,0,1,0,0|1,0,0]=3 18211 B11R1.28 SCCCOC1CCCSC1 6d1158b302db64a00810cac472500b22 [0,1,0,1,0,0|1,0,0]=3 18212 B11R1.28 SCCCOC1CCOCC1 1c4cf60d6ee4e72cce8ed3207ab4098a [0,1,0,1,0,0|1,0,0]=3 18213 B11R1.28 SCCCOC1CCSCC1 148aa51d95e83f6e1f5965803fd5db8b [0,1,0,1,0,0|1,0,0]=3 18214 B11R1.28 SCCCO[C@@H]1CCCOC1 7d8721887086b1d8925e0628594fca6b [0,1,0,1,0,0|1,0,0]=3 18215 B11R1.28 SCCCO[C@H]1CCCOC1 1a9c4d74e3ccdc3eb1d694c96c3da067 [0,1,0,1,0,0|1,0,0]=3 18216 B11R1.28 SCCNCC1CCCCC1 c091d9eb02ff0501e904ed06adb366a3 [0,1,0,1,0,0|2,0,0]=4 18217 B11R1.28 SCCNCC1CCCCO1 0b8d80fee57c076ceedea484dbd628b6 [0,1,0,1,0,0|1,0,0]=3 18218 B11R1.28 SCCNCC1COCCO1 ebe80cfbe52ed0b4fdf2f176e053e214 [0,1,0,1,0,0|2,0,0]=4 18219 B11R1.28 SCCNC[C@H]1COCCO1 679a61bc0d09f17739c9873e9780ffb8 [0,1,0,1,0,0|2,0,0]=4 18220 B11R1.28 SCCOCC1CCCCC1 b675c36dd959cef4731af5e4a01c12fe [0,1,0,1,0,0|2,0,0]=4 18221 B11R1.28 SCCOCC1CCCCO1 86aa807ab484b9f23e5f277d7f7abbcb [0,1,0,1,0,0|1,0,0]=3 18222 B11R1.28 SCCOCC1COCCO1 1c6b2760a14c6e6f1d88e04a50857911 [0,1,0,1,0,0|2,0,0]=4 18223 B11R1.28 SCCOC[C@@H]1CCCCO1 3663e7beeaf311a325d64bf56f1e650f [0,1,0,1,0,0|1,0,0]=3 18224 B11R1.28 SCCOC[C@@H]1COCCO1 7654e0ae79978211e0f252c5f82d3b75 [0,1,0,1,0,0|2,0,0]=4 18225 B11R1.28 SCCOC[C@H]1CCCCO1 d6b15e9d088711ec46e2651cdf37fc89 [0,1,0,1,0,0|1,0,0]=3 18226 B11R1.28 SCCOC[C@H]1COCCO1 7e99db26eb9547732bd6d0d4ea4b45b7 [0,1,0,1,0,0|2,0,0]=4 18227 B11R1.41 C#CC1COCCN1CCC fff823104a46e6053f9fa1df2056a1d4 [0,1,0,1,0,0|0,0,2]=4 18228 B11R1.41 C#CCN1CCOCC1CC f12b3c0f6cf91ac7975b88fbbe8bcc63 [0,1,0,1,0,0|0,0,2]=4 18229 B11R1.41 C#CCN1CCOC[C@@H]1CC 67ea65430811ae2255b49025d69cb513 [0,1,0,1,0,0|0,0,2]=4 18230 B11R1.41 C#CCN1CCOC[C@H]1CC 778ce69b42414a31f3ab2eb411e28778 [0,1,0,1,0,0|0,0,2]=4 18231 B11R1.41 C=CCN1CCOCC1CC 23f2a2b21982955b470b9543e19188c2 [0,1,0,1,0,0|0,0,2]=4 18232 B11R1.41 C=CCN1CCOC[C@@H]1CC df38fe2409ec7178bee9e19bce934d9f [0,1,0,1,0,0|0,0,2]=4 18233 B11R1.41 C=CCN1CCOC[C@H]1CC 7e58319f98592ed6acdda25ad4da59f9 [0,1,0,1,0,0|0,0,2]=4 18234 B11R1.41 CCC1CCCCC1OCF 1cd08105dd638695cc6af1465a6af2c4 [0,1,0,1,0,0|2,0,0]=4 18235 B11R1.41 CCC1CCCCN1CCF 4d39270bcb63aea79c2b0ec2e0a8a338 [0,1,0,1,0,0|2,0,0]=4 18236 B11R1.41 CCC1CCCCN1CCO 0401c5f429c790b76a4d5dfa63345bf3 [0,1,0,1,0,0|2,0,0]=4 18237 B11R1.41 CCC1CCCCN1CCS 3efaebcd49209a267fc05e11c1d329e8 [0,1,0,1,0,0|2,0,0]=4 18238 B11R1.41 CCC1CCCCN1COC c830fe20ea9bdbe509ff6e6030a6a99d [0,1,0,1,0,0|2,0,0]=4 18239 B11R1.41 CCC1CCCCN1CSC 3cc41bde65462484156be3a933dd6265 [0,1,0,1,0,0|2,0,0]=4 18240 B11R1.41 CCC1COCCC1NC=O 9765dbe94cce8d7e77e2060d0e49c2f2 [0,1,0,1,0,0|1,0,1]=4 18241 B11R1.41 CCC1COCCC1NCF d407ca2e33bc923a0c1135b9e00c24e1 [0,1,0,1,0,0|1,0,0]=3 18242 B11R1.41 CCC1COCCC1NCO acdfd98bc489df6f183759ec4320cf0a [0,1,0,1,0,0|1,0,0]=3 18243 B11R1.41 CCC1COCCN1CC#N 380ebc0375083e7bb16ef0d072433748 [0,1,0,1,0,0|1,0,1]=4 18244 B11R1.41 CCC1COCCN1CC=O ea1a69a63e6299cc8f64991f8d3dc2fe [0,1,0,1,0,0|1,0,1]=4 18245 B11R1.41 CCC1COCCN1CCF 4168a8757ed66da553fb6915ba05b799 [0,1,0,1,0,0|1,0,0]=3 18246 B11R1.41 CCC1COCCN1CCO 1df80e36b7411083461282314e6372f4 [0,1,0,1,0,0|1,0,0]=3 18247 B11R1.41 CCC1COCCN1CCS 570a9a17c49f3cc1faf641a7ea6d6626 [0,1,0,1,0,0|1,0,0]=3 18248 B11R1.41 CCC1COCCN1COC 14cab832c64353861d237262f9c6557a [0,1,0,1,0,0|1,0,0]=3 18249 B11R1.41 CCC1COCCN1CSC 7131142f0a41304fac1799462a111579 [0,1,0,1,0,0|1,0,0]=3 18250 B11R1.41 CCCC1COCCN1C=O e2fdf13ed79dc3e9f5731911aab241f0 [0,1,0,1,0,0|1,0,1]=4 18251 B11R1.41 CCCC1COCCN1CC 177a112a975bb40fa5605e74479a2fab [0,1,0,1,0,0|0,0,0]=2 18252 B11R1.41 CCCC1COCCN1CF 3a10762fb07525847d2f9bafd730d274 [0,1,0,1,0,0|1,0,0]=3 18253 B11R1.41 CCCC1COCCN1CO 29798c431447159d66934e48fab9692d [0,1,0,1,0,0|1,0,0]=3 18254 B11R1.41 CCCN1CCCCC1CC f2435757f1fd18c21601dd2b31d08991 [0,1,0,1,0,0|1,0,0]=3 18255 B11R1.41 CCCN1CCCCC1CO cbdcf5ac41b8638f32db05ab0071fc53 [0,1,0,1,0,0|2,0,0]=4 18256 B11R1.41 CCCN1CCCC[C@@H]1CC a1da9c4facc05a83af6dbc4dddc1c007 [0,1,0,1,0,0|1,0,0]=3 18257 B11R1.41 CCCN1CCCC[C@@H]1CO 81bf1346884b73c414b8ca8dd7de270a [0,1,0,1,0,0|2,0,0]=4 18258 B11R1.41 CCCN1CCCC[C@H]1CC 211bfe4f63afdabf8e93ac5b64213f46 [0,1,0,1,0,0|1,0,0]=3 18259 B11R1.41 CCCN1CCCC[C@H]1CO 634940ce88b6dfc96c3ac67ec2e69e71 [0,1,0,1,0,0|2,0,0]=4 18260 B11R1.41 CCCN1CCOCC1C#N f8d303dd36291a70a89a72cb6c65f232 [0,1,0,1,0,0|1,0,1]=4 18261 B11R1.41 CCCN1CCOCC1CC 976c9f74976ccbb85c65835b77253721 [0,1,0,1,0,0|0,0,0]=2 18262 B11R1.41 CCCN1CCOCC1CO 6dc2f960e2f53c9f2d72d6ad879bd0df [0,1,0,1,0,0|1,0,0]=3 18263 B11R1.41 CCCN1CCOC[C@@H]1CC 51af9da65d34ccb85f92a8e8e609687b [0,1,0,1,0,0|0,0,0]=2 18264 B11R1.41 CCCN1CCOC[C@@H]1CO 30a3a481eb4906f1d484ee5728ab755a [0,1,0,1,0,0|1,0,0]=3 18265 B11R1.41 CCCN1CCOC[C@H]1C#N 3856cc3b1c94e6cef8be3bec5cec6047 [0,1,0,1,0,0|1,0,1]=4 18266 B11R1.41 CCCN1CCOC[C@H]1CC 742ea737b16f28dca9357fd1b74dd02e [0,1,0,1,0,0|0,0,0]=2 18267 B11R1.41 CCCN1CCOC[C@H]1CO c0a7f8966a0a279e927dedf6e9f6eb3f [0,1,0,1,0,0|1,0,0]=3 18268 B11R1.41 CCN1CCCCC1CCCl 6249b2f2be46d1cb832663b2c9acde5a [0,1,0,1,0,0|2,0,0]=4 18269 B11R1.41 CCN1CCCCC1CCO b9f5cf9d4760ab3b20f8fc4f4bd6c46c [0,1,0,1,0,0|2,0,0]=4 18270 B11R1.41 CCN1CCCCC1COC 973d2a499a91fa439c051ca01a6d422e [0,1,0,1,0,0|2,0,0]=4 18271 B11R1.41 CCN1CCCC[C@@H]1CCO 40c75c3fe5c226eb0c040626ccf3ce44 [0,1,0,1,0,0|2,0,0]=4 18272 B11R1.41 CCN1CCCC[C@H]1CCO 8281549c53ce644ed205bf54245ed833 [0,1,0,1,0,0|2,0,0]=4 18273 B11R1.41 CCN1CCOC[C@@H]1COC 9037db12d0eed57814c88c7f3f0a520a [0,1,0,1,0,0|1,0,0]=3 18274 B11R1.41 CCN1CCOC[C@H]1COC 10d4de043a94792b7c6a1c7d75d1f8c5 [0,1,0,1,0,0|1,0,0]=3 18275 B11R1.41 CCNC1CCCCC1OC 399eacd217d9e2b01936b1db37753c6f [0,1,0,1,0,0|2,0,0]=4 18276 B11R1.41 CCNC1CCOCC1CC a0788cf5023e9650f9f81209af942bae [0,1,0,1,0,0|0,0,0]=2 18277 B11R1.41 CCNC1CCOCC1CO 1d0cc59bb6964267330b6ae30ff8127a [0,1,0,1,0,0|1,0,0]=3 18278 B11R1.41 CCN[C@@H]1CCCC[C@@H]1CO 428345999db4a73120dd9126a2d5dc20 [0,1,0,1,0,0|2,0,0]=4 18279 B11R1.41 CCN[C@@H]1CCCC[C@H]1CO 220b704f10481bbeec7d5a9df2e4beb3 [0,1,0,1,0,0|2,0,0]=4 18280 B11R1.41 CCN[C@@H]1CCOC[C@@H]1CO 0a2c99441cbdb636fa3fd2b6f098d6ad [0,1,0,1,0,0|1,0,0]=3 18281 B11R1.41 CCN[C@@H]1CCOC[C@@H]1OC 39303fa12056a7a6bb7d58fd9d24f3e5 [0,1,0,1,0,0|1,0,0]=3 18282 B11R1.41 CCN[C@@H]1CCOC[C@H]1OC 921e496b12b3648984a6465eb3866c54 [0,1,0,1,0,0|1,0,0]=3 18283 B11R1.41 CCN[C@H]1CCCC[C@@H]1OC 5616abdabadf3f4916ce17e41db4c8af [0,1,0,1,0,0|2,0,0]=4 18284 B11R1.41 CCN[C@H]1CCCC[C@H]1CO 2aa408ffb74a00ab65ee745d9718ff38 [0,1,0,1,0,0|2,0,0]=4 18285 B11R1.41 CCN[C@H]1CCOC[C@@H]1OC 5d0cd8a457aa9aaa64654b05b1e21b90 [0,1,0,1,0,0|1,0,0]=3 18286 B11R1.41 CCN[C@H]1CCOC[C@H]1OC 1f2c7270b4290d9f80c89359f9cb7b04 [0,1,0,1,0,0|1,0,0]=3 18287 B11R1.41 CCOC1CCCCC1CC 810042b55fdd81b47fd5fb695851c34e [0,1,0,1,0,0|1,0,0]=3 18288 B11R1.41 CCOC1CCCCC1OC b532451a5bdbf718fe078517509cf76d [0,1,0,1,0,0|2,0,0]=4 18289 B11R1.41 CCO[C@@H]1CCCC[C@H]1SC 2993473c789d05460b7803f356cbcc00 [0,1,0,1,0,0|2,0,0]=4 18290 B11R1.41 CC[C@@H]1CCCCN1CCF fb86463cd95f58884af69ac60bd1231b [0,1,0,1,0,0|2,0,0]=4 18291 B11R1.41 CC[C@@H]1CCCCN1CCO 31c74c02e02d1431ecaa933f030f1164 [0,1,0,1,0,0|2,0,0]=4 18292 B11R1.41 CC[C@@H]1CCCCN1CCS 2c417a3d758fff453b54dd0128a3cafc [0,1,0,1,0,0|2,0,0]=4 18293 B11R1.41 CC[C@@H]1CCCCN1COC 7ddbc4f926a6b73ff2a6d516efef45f3 [0,1,0,1,0,0|2,0,0]=4 18294 B11R1.41 CC[C@@H]1CCCCN1CSC ac4459213f2066e71d994ea429cbfaea [0,1,0,1,0,0|2,0,0]=4 18295 B11R1.41 CC[C@@H]1COCCN1CC#N 0a1d4a07e6c4a08fd521dd515fb14226 [0,1,0,1,0,0|1,0,1]=4 18296 B11R1.41 CC[C@@H]1COCCN1CC=O 71a635d2d95df1eda066071986894751 [0,1,0,1,0,0|1,0,1]=4 18297 B11R1.41 CC[C@@H]1COCCN1CCF dc9a6256a0c3df603df0d13182022ad4 [0,1,0,1,0,0|1,0,0]=3 18298 B11R1.41 CC[C@@H]1COCCN1CCO 812e89620767426003e3e091e92d21f7 [0,1,0,1,0,0|1,0,0]=3 18299 B11R1.41 CC[C@@H]1COCCN1CCS f42137537208205f1216d2291bae2913 [0,1,0,1,0,0|1,0,0]=3 18300 B11R1.41 CC[C@@H]1COCCN1COC 52dc713471f2347ec0008de93afb03f2 [0,1,0,1,0,0|1,0,0]=3 18301 B11R1.41 CC[C@@H]1COCCN1CSC 6125dac3d29e53998e1f381bfa562993 [0,1,0,1,0,0|1,0,0]=3 18302 B11R1.41 CC[C@H]1CCCCN1CCF 94d1be321aa7ab88a74249a2dce41f9d [0,1,0,1,0,0|2,0,0]=4 18303 B11R1.41 CC[C@H]1CCCCN1CCO 4087292e87a1b50826328ff916748508 [0,1,0,1,0,0|2,0,0]=4 18304 B11R1.41 CC[C@H]1CCCCN1CCS 43db613ac849735db72f158230c17e69 [0,1,0,1,0,0|2,0,0]=4 18305 B11R1.41 CC[C@H]1CCCCN1COC 9f247d4e5f4aa41942bca5b0938560db [0,1,0,1,0,0|2,0,0]=4 18306 B11R1.41 CC[C@H]1CCCCN1CSC 2936729c15c3de3873feeebefcab4d9a [0,1,0,1,0,0|2,0,0]=4 18307 B11R1.41 CC[C@H]1COCCN1CC#N d8311006d45fb2728315512d3a7d21db [0,1,0,1,0,0|1,0,1]=4 18308 B11R1.41 CC[C@H]1COCCN1CC=O 0380b104b2af0705bf874f98e4f516a0 [0,1,0,1,0,0|1,0,1]=4 18309 B11R1.41 CC[C@H]1COCCN1CCF 35b976815167c575d479ab7a11f0be88 [0,1,0,1,0,0|1,0,0]=3 18310 B11R1.41 CC[C@H]1COCCN1CCO 4af2b42b961eba399c0ca74443dd7b79 [0,1,0,1,0,0|1,0,0]=3 18311 B11R1.41 CC[C@H]1COCCN1CCS 6de7c1b513514586bb4b8b39d6c38482 [0,1,0,1,0,0|1,0,0]=3 18312 B11R1.41 CC[C@H]1COCCN1COC af7e9efa12e0d2cd657380b65737f918 [0,1,0,1,0,0|1,0,0]=3 18313 B11R1.41 CC[C@H]1COCCN1CSC 51ef2ed33d039df7009fe38a282d8b56 [0,1,0,1,0,0|1,0,0]=3 18314 B11R1.41 COCN1CCOCC1CO 592afdc44d13054c2ead81464e090758 [0,1,0,1,0,0|2,0,0]=4 18315 B11R1.41 COCN1CCOC[C@@H]1CO 49d551d5dc1c6b502c94defdcc3333eb [0,1,0,1,0,0|2,0,0]=4 18316 B11R1.41 COCN1CCOC[C@H]1CO 89bf5f02642e5eaf61f4d1cb51d8950d [0,1,0,1,0,0|2,0,0]=4 18317 B11R1.41 COC[C@@H]1COCCN1CF e12d6acc9146db6033228d866a04ce39 [0,1,0,1,0,0|2,0,0]=4 18318 B11R1.41 COC[C@@H]1COCCN1CO 9843052d0c856606ff894e979750d494 [0,1,0,1,0,0|2,0,0]=4 18319 B11R1.41 COC[C@H]1COCCN1CF 8242d99da0edc34a6150d6d3eff6aa67 [0,1,0,1,0,0|2,0,0]=4 18320 B11R1.41 COC[C@H]1COCCN1CO 0d0101c26cb12d3e02db621d31a1cf7a [0,1,0,1,0,0|2,0,0]=4 18321 B11R1.41 CO[C@@H]1COCC[C@@H]1NCF 2fe085957781c4b6d73046b7c4a47334 [0,1,0,1,0,0|2,0,0]=4 18322 B11R1.41 CO[C@@H]1COCC[C@@H]1NCO c8c31a32474e24c679b3b09d9de978b3 [0,1,0,1,0,0|2,0,0]=4 18323 B11R1.41 CO[C@@H]1COCC[C@H]1NCF 9c06dabb267f725721c5eb0cbbfc17eb [0,1,0,1,0,0|2,0,0]=4 18324 B11R1.41 CO[C@@H]1COCC[C@H]1NCO c92f52cfebc79f03a4a4128b198df200 [0,1,0,1,0,0|2,0,0]=4 18325 B11R1.41 CO[C@H]1COCC[C@@H]1NCF 231631de20cbf4e1aeb30a2fbed45b13 [0,1,0,1,0,0|2,0,0]=4 18326 B11R1.41 CO[C@H]1COCC[C@@H]1NCO 539077d479e0d4f7f247a23f441731b4 [0,1,0,1,0,0|2,0,0]=4 18327 B11R1.41 CO[C@H]1COCC[C@H]1NCF ad2ac28cacccecb33d65f70cb30cffcf [0,1,0,1,0,0|2,0,0]=4 18328 B11R1.41 CO[C@H]1COCC[C@H]1NCO 93603089bdaea0f869ec1528b124e2f7 [0,1,0,1,0,0|2,0,0]=4 18329 B11R1.41 CSCN1CCOCC1CO 085f838d49420ef4921b35399b5a807a [0,1,0,1,0,0|2,0,0]=4 18330 B11R1.41 CSCN1CCOC[C@@H]1CO 43256d0fc26823b779b2465bb8fd70d2 [0,1,0,1,0,0|2,0,0]=4 18331 B11R1.41 CSCN1CCOC[C@H]1CO 94892f8dba274c27e894ff6c1ee360d8 [0,1,0,1,0,0|2,0,0]=4 18332 B11R1.41 OCC1COCCC1NCF 8b0c4be3cf96668598f1ac239e9d8336 [0,1,0,1,0,0|2,0,0]=4 18333 B11R1.41 OCC1COCCN1CCF 91a40beadb8bef17f32cc104b980703c [0,1,0,1,0,0|2,0,0]=4 18334 B11R1.41 OCC1COCCN1CCS 4583b021bb20c0e9132010faa951c334 [0,1,0,1,0,0|2,0,0]=4 18335 B11R1.41 OCCN1CCOCC1CO 66a7093ec2fb18ba3075d6c8eadb42d7 [0,1,0,1,0,0|2,0,0]=4 18336 B11R1.41 OCCN1CCOC[C@@H]1CO bb809b28cc50bd2a33154fc8d8ba8ef2 [0,1,0,1,0,0|2,0,0]=4 18337 B11R1.41 OCCN1CCOC[C@H]1CO a6b13a164241d709e97ad0937d8b3541 [0,1,0,1,0,0|2,0,0]=4 18338 B11R1.41 OCNC1CCOCC1CO 5a5f20a07803684d239fae723beae18f [0,1,0,1,0,0|2,0,0]=4 18339 B11R1.41 OCN[C@@H]1CCOC[C@@H]1CO 03786c124b35ffacebf0ef05cf2a819e [0,1,0,1,0,0|2,0,0]=4 18340 B11R1.41 OC[C@@H]1COCCN1CCF 3d417b36d5cc57afebf5a9e82ecb7c94 [0,1,0,1,0,0|2,0,0]=4 18341 B11R1.41 OC[C@@H]1COCCN1CCS 04f6864a24524ddc3ee6a9d005f78568 [0,1,0,1,0,0|2,0,0]=4 18342 B11R1.41 OC[C@H]1COCCN1CCF 5a9c36dfa9fee1d64d892452868e67da [0,1,0,1,0,0|2,0,0]=4 18343 B11R1.41 OC[C@H]1COCCN1CCS e04a5dec48d925715efeeb87c09e4893 [0,1,0,1,0,0|2,0,0]=4 18344 B11R1.41 OC[C@H]1COCC[C@H]1NCF 1c894ca17f64b7443853b52928082189 [0,1,0,1,0,0|2,0,0]=4 18345 B11R1.47 BrCCNCCOC1CCC1 277bfc36778ccecb26478dd6da8ffc54 [0,1,0,1,0,0|1,0,0]=3 18346 B11R1.47 C#CCCCCNC1CCC1 30c28896f0f8d7c307795efe8ad65add [0,1,0,1,0,0|1,0,1]=4 18347 B11R1.47 C#CCCCCOC1CCC1 dd8f15ff462a581e86a08d41643730fd [0,1,0,1,0,0|0,0,1]=3 18348 B11R1.47 C#CCCCCOC1COC1 c79a36afe1eeb344ec119fa913cbed97 [0,1,0,1,0,0|1,0,1]=4 18349 B11R1.47 C#CCCCCOC1CSC1 4a4d7d8036f340a2eeb10fad8fad8e30 [0,1,0,1,0,0|1,0,1]=4 18350 B11R1.47 C#CCCCNCC1CCC1 8d7cdd5d221d3f3608a537f8bec67d70 [0,1,0,1,0,0|1,0,1]=4 18351 B11R1.47 C#CCCCOCC1CCC1 71fe5deaa56a2a7e120ee8f3ec9426a8 [0,1,0,1,0,0|0,0,1]=3 18352 B11R1.47 C#CCCCOCC1CCO1 57d8423dc57da41eea176d392b2514c4 [0,1,0,1,0,0|0,0,2]=4 18353 B11R1.47 C#CCCCOCC1COC1 d3ff29336ac5c4eb667dfd39e9435ed3 [0,1,0,1,0,0|0,0,2]=4 18354 B11R1.47 C#CCCCOCC1CSC1 dc533dc282f0382ff56db54042cc1a94 [0,1,0,1,0,0|0,0,2]=4 18355 B11R1.47 C#CCCCOC[C@@H]1CCO1 a425e8e621c98d74406c4dc2aaad579f [0,1,0,1,0,0|0,0,2]=4 18356 B11R1.47 C#CCCCOC[C@H]1CCO1 45874fb1c423f56249031fe95b761030 [0,1,0,1,0,0|0,0,2]=4 18357 B11R1.47 C#CCCOCCC1CCC1 e2843dc26f0225d0dccf009c5589247a [0,1,0,1,0,0|0,0,2]=4 18358 B11R1.47 C#CCCOCCC1CCO1 923e8b72b7364260e10cb2410c6c9e4f [0,1,0,1,0,0|0,0,2]=4 18359 B11R1.47 C#CCCOCCC1COC1 8211344c55f893f7c76bb8fe0f78f34a [0,1,0,1,0,0|0,0,2]=4 18360 B11R1.47 C#CCCOCCN1CCC1 17896aec63ffd8291d0aae22f8bad83d [0,1,0,1,0,0|0,0,2]=4 18361 B11R1.47 C#CCCOCC[C@@H]1CCO1 8cb45714ef2b15ae3bc0d3ae977f7dac [0,1,0,1,0,0|0,0,2]=4 18362 B11R1.47 C#CCCOCC[C@H]1CCO1 5122ccd3237ff22b41e7c5ee1b7769e4 [0,1,0,1,0,0|0,0,2]=4 18363 B11R1.47 C#CCNCCOC1CCC1 048b9296fff3ee696a588d43a06820f7 [0,1,0,1,0,0|0,0,2]=4 18364 B11R1.47 C#CCOCCOC1CCC1 620e2164a03d766d6d70511218e36de9 [0,1,0,1,0,0|0,0,2]=4 18365 B11R1.47 C/C=C/CCCOC1CCC1 9e896d9b55e0b22aabd99e19f2da464d [0,1,0,1,0,0|0,0,1]=3 18366 B11R1.47 C/C=C/CCCOC1COC1 95393fa6033d74f9775c0607c5a4e007 [0,1,0,1,0,0|1,0,1]=4 18367 B11R1.47 C/C=C/CCOCC1CCC1 c1f5f98dc0915224ee43fc98b4b535a1 [0,1,0,1,0,0|0,0,1]=3 18368 B11R1.47 C/C=C/CCOCC1CCO1 52e3994f983a21997041f2e758cc2fce [0,1,0,1,0,0|0,0,2]=4 18369 B11R1.47 C/C=C/CCOCC1COC1 e0fa849c20ec0fdecfd23e350d170d07 [0,1,0,1,0,0|0,0,2]=4 18370 B11R1.47 C/C=C/CCOC[C@@H]1CCO1 054241f8ffb4f6050ebb2ba7118eba07 [0,1,0,1,0,0|0,0,2]=4 18371 B11R1.47 C/C=C/CCOC[C@H]1CCO1 c9ab56c26cb6df9c34e50aec165d18c7 [0,1,0,1,0,0|0,0,2]=4 18372 B11R1.47 C/C=C/COCCC1CCC1 fe0a6d9fbe075974d572710ce3986852 [0,1,0,1,0,0|0,0,2]=4 18373 B11R1.47 C/C=C/COCCC1CCO1 50b4d47c1d1a2dba44c3d1c412956836 [0,1,0,1,0,0|0,0,2]=4 18374 B11R1.47 C/C=C/COCCC1COC1 ae6d95d6f701bb02a43fd1cd17cbda32 [0,1,0,1,0,0|0,0,2]=4 18375 B11R1.47 C/C=C/COCCN1CCC1 1295a211da5d28da4dab1e632cdcb99e [0,1,0,1,0,0|0,0,2]=4 18376 B11R1.47 C/C=C/COCC[C@@H]1CCO1 7fd145d787f8356aa1b082a0c5fca5b0 [0,1,0,1,0,0|0,0,2]=4 18377 B11R1.47 C/C=C/COCC[C@H]1CCO1 c3239ed91db7c9b56acd7813749c6957 [0,1,0,1,0,0|0,0,2]=4 18378 B11R1.47 C/C=C\CCCNC1CCC1 2055337a209d5fb95610201ccedf7bd2 [0,1,0,1,0,0|1,0,1]=4 18379 B11R1.47 C/C=C\CCCOC1CCC1 f030152beea03ef37a1b159363ba0979 [0,1,0,1,0,0|0,0,1]=3 18380 B11R1.47 C/C=C\CCCOC1COC1 3914cb60148711aaf8b325a4da0184f1 [0,1,0,1,0,0|1,0,1]=4 18381 B11R1.47 C/C=C\CCCOC1CSC1 f3973548c07e81d5fa35b3512fa9c929 [0,1,0,1,0,0|1,0,1]=4 18382 B11R1.47 C/C=C\COCCC1CCC1 bec4a40e2086f85b9b5d8389bde4a22b [0,1,0,1,0,0|0,0,2]=4 18383 B11R1.47 C/C=C\COCCC1CCO1 c60217f7958fc24bc260ac2de14e392e [0,1,0,1,0,0|0,0,2]=4 18384 B11R1.47 C/C=C\COCCC1COC1 dc3a1c63042adbf3670afec309208e92 [0,1,0,1,0,0|0,0,2]=4 18385 B11R1.47 C/C=C\COCCN1CCC1 851f97b41a5656c2192538d250488a46 [0,1,0,1,0,0|0,0,2]=4 18386 B11R1.47 C/C=C\COCC[C@@H]1CCO1 e407de2be8255f132c0a7703197f522f [0,1,0,1,0,0|0,0,2]=4 18387 B11R1.47 C/C=C\COCC[C@H]1CCO1 bbdefe3fb480b452c1fcd2307969af6a [0,1,0,1,0,0|0,0,2]=4 18388 B11R1.47 C=C=CCCOCC1CCC1 188299057297fa0d4080fee1bdd2ca06 [0,1,0,1,0,0|0,0,2]=4 18389 B11R1.47 C=CCCCCNC1CCC1 b28d9aabeb662556c2487960afeb07c7 [0,1,0,1,0,0|1,0,1]=4 18390 B11R1.47 C=CCCCCOC1CCC1 ca3b73c39921c9e199dfd2a180720775 [0,1,0,1,0,0|0,0,1]=3 18391 B11R1.47 C=CCCCCOC1COC1 7e1a0912224353a190e0d2b3d162c1bf [0,1,0,1,0,0|1,0,1]=4 18392 B11R1.47 C=CCCCCOC1CSC1 4c3dfd6d816640e20095cf9938f31a0e [0,1,0,1,0,0|1,0,1]=4 18393 B11R1.47 C=CCCCNCC1CCC1 192b69b63d594e85bf396908262e6cf6 [0,1,0,1,0,0|1,0,1]=4 18394 B11R1.47 C=CCCCOCC1CCC1 3b2bfba5f420f41f0194bd9bdd5877eb [0,1,0,1,0,0|0,0,1]=3 18395 B11R1.47 C=CCCCOCC1CCO1 84946cae34308aaeb88d101eb5855252 [0,1,0,1,0,0|0,0,2]=4 18396 B11R1.47 C=CCCCOCC1COC1 768f6a470dd40f387e7c4c3145292af8 [0,1,0,1,0,0|0,0,2]=4 18397 B11R1.47 C=CCCCOCC1CSC1 e49c988c59b61d78e0142313cc9951d1 [0,1,0,1,0,0|0,0,2]=4 18398 B11R1.47 C=CCCCOC[C@@H]1CCO1 5c04e5a0d8ef4f9d3d0e89d6a410d5ee [0,1,0,1,0,0|0,0,2]=4 18399 B11R1.47 C=CCCCOC[C@H]1CCO1 d94504f4857cf600360d1ca9aa391b21 [0,1,0,1,0,0|0,0,2]=4 18400 B11R1.47 C=CCCOCCC1CCC1 8f6166327340bd828df24d180eb508e8 [0,1,0,1,0,0|0,0,2]=4 18401 B11R1.47 C=CCCOCCC1CCO1 185fcaecefa785a52a696a2c33428464 [0,1,0,1,0,0|0,0,2]=4 18402 B11R1.47 C=CCCOCCC1COC1 ccc24ef925791caa27729b932d3537b6 [0,1,0,1,0,0|0,0,2]=4 18403 B11R1.47 C=CCCOCCN1CCC1 0ce0912c0dc5c074c180addb258be7f6 [0,1,0,1,0,0|0,0,2]=4 18404 B11R1.47 C=CCCOCC[C@@H]1CCO1 ef46d0fbffac6d0d7b3987ff46349ba3 [0,1,0,1,0,0|0,0,2]=4 18405 B11R1.47 C=CCCOCC[C@H]1CCO1 ce3a9c0b087cbe9a44a160f1e8cfdee7 [0,1,0,1,0,0|0,0,2]=4 18406 B11R1.47 C=CCOCCOC1CCC1 c5c2447e2418a6d945a9e409fbb4b3a7 [0,1,0,1,0,0|0,0,2]=4 18407 B11R1.47 C=COCCOCC1CCC1 d1cb9681dcf909b2207f5a358a2e65a7 [0,1,0,1,0,0|0,0,2]=4 18408 B11R1.47 CC#CCCCNC1CCC1 d9bf0c58edd550e2fda9a5d534c21108 [0,1,0,1,0,0|1,0,1]=4 18409 B11R1.47 CC#CCCCOC1CCC1 18b28891970698184ee81479117b95ad [0,1,0,1,0,0|0,0,1]=3 18410 B11R1.47 CC#CCCCOC1COC1 e200f20004cd661b01c703293b46ebb7 [0,1,0,1,0,0|1,0,1]=4 18411 B11R1.47 CC#CCCOCC1CCC1 3fc6fb7294fe271d8d933bb091ae60bb [0,1,0,1,0,0|0,0,1]=3 18412 B11R1.47 CC#CCCOCC1CCO1 50eb6e44e638e7d927f62bc12fe326fd [0,1,0,1,0,0|0,0,2]=4 18413 B11R1.47 CC#CCCOCC1COC1 41721d8859e2abead024e6f685b1c0dd [0,1,0,1,0,0|0,0,2]=4 18414 B11R1.47 CC#CCCOC[C@@H]1CCO1 9ffdde3c115ad4313b31bcdf009d04e1 [0,1,0,1,0,0|0,0,2]=4 18415 B11R1.47 CC#CCCOC[C@H]1CCO1 d30b14a56a328c55ce148746552f170b [0,1,0,1,0,0|0,0,2]=4 18416 B11R1.47 CC#CCOCCC1CCC1 a5d51cb1d20d5917cb3ecf5c8f66a9b2 [0,1,0,1,0,0|0,0,2]=4 18417 B11R1.47 CC#CCOCCC1CCO1 f4984c8d8ebdef2a0b1f8c8fed3e887a [0,1,0,1,0,0|0,0,2]=4 18418 B11R1.47 CC#CCOCCC1COC1 39596ebf02f2a64a590dcc3949572006 [0,1,0,1,0,0|0,0,2]=4 18419 B11R1.47 CC#CCOCC[C@@H]1CCO1 11671121c273e7f8f54a072b608a9300 [0,1,0,1,0,0|0,0,2]=4 18420 B11R1.47 CC#CCOCC[C@H]1CCO1 ef47e5b5e6ed4a3ffbf7d7caa65248d7 [0,1,0,1,0,0|0,0,2]=4 18421 B11R1.47 CC/C=C/CCOC1CCC1 9a47b4bbd1bbe69ba650d40280c1411c [0,1,0,1,0,0|0,0,1]=3 18422 B11R1.47 CC/C=C/CCOC1COC1 8c6d6c5abfc05ed5dba4577c5ac403af [0,1,0,1,0,0|1,0,1]=4 18423 B11R1.47 CC/C=C/CNCC1CCC1 b2a93de45df7702525c9dec8c6a0cd72 [0,1,0,1,0,0|1,0,1]=4 18424 B11R1.47 CC/C=C/COCC1CCC1 2779ebbc30efd0c8dfcdace37da6dbc6 [0,1,0,1,0,0|0,0,1]=3 18425 B11R1.47 CC/C=C/COCC1CCO1 6e8f74c6e0dddb12565f5aba53b94264 [0,1,0,1,0,0|0,0,2]=4 18426 B11R1.47 CC/C=C/COCC1COC1 985471e7ab7fd31c4ba982f83f7c3121 [0,1,0,1,0,0|0,0,2]=4 18427 B11R1.47 CC/C=C/COCC1CSC1 5c49bcda38127bebfca2fb7256b47cc1 [0,1,0,1,0,0|0,0,2]=4 18428 B11R1.47 CC/C=C/COC[C@@H]1CCO1 55c51aab8e651eab9b215e1b52ecf068 [0,1,0,1,0,0|0,0,2]=4 18429 B11R1.47 CC/C=C/COC[C@H]1CCO1 787395cc4da595e94c67d34c9c740b4a [0,1,0,1,0,0|0,0,2]=4 18430 B11R1.47 CC/C=C\CCNC1CCC1 5d5e28d4c31214a27cb49649a75f2c3a [0,1,0,1,0,0|1,0,1]=4 18431 B11R1.47 CC/C=C\CCOC1CCC1 aff89e7de14f2f074264b9f52364134b [0,1,0,1,0,0|0,0,1]=3 18432 B11R1.47 CC/C=C\CCOC1COC1 2e583b4d60f6c7f6ea0129e294d3dae5 [0,1,0,1,0,0|1,0,1]=4 18433 B11R1.47 CC/C=C\CCOC1CSC1 5d9762b129f762503947324e93097eb4 [0,1,0,1,0,0|1,0,1]=4 18434 B11R1.47 CC/C=C\COCC1CCC1 94df9e27699fb0c2fe7f9154a6f213d8 [0,1,0,1,0,0|0,0,1]=3 18435 B11R1.47 CC/C=C\COCC1CCO1 6c4295324f0b42f40e29cd6f1c1428ed [0,1,0,1,0,0|0,0,2]=4 18436 B11R1.47 CC/C=C\COCC1COC1 51b1988b2c17380c141618227c8fbd61 [0,1,0,1,0,0|0,0,2]=4 18437 B11R1.47 CC/C=C\COC[C@@H]1CCO1 87c8cc8cd6da4c8d27c896477fc59098 [0,1,0,1,0,0|0,0,2]=4 18438 B11R1.47 CC/C=C\COC[C@H]1CCO1 576ca918e131141bf6cf03b652e06159 [0,1,0,1,0,0|0,0,2]=4 18439 B11R1.47 CC=C=CCCOC1CCC1 0f44c4ae363ddc3d03d53b386c3b8015 [0,1,0,1,0,0|0,0,2]=4 18440 B11R1.47 CC=CCCCOC1CCC1 fbfac07409372df4595fb40489bcab5a [0,1,0,1,0,0|0,0,1]=3 18441 B11R1.47 CC=CCCCOC1COC1 cb110244088d8c067d8a1aa26bd2dd0e [0,1,0,1,0,0|1,0,1]=4 18442 B11R1.47 CC=CCOCCC1CCC1 887062c4c4c56aad7c6761594ae77c31 [0,1,0,1,0,0|0,0,2]=4 18443 B11R1.47 CC=CCOCCC1CCO1 72ec497498c760e93bae75782ba143f9 [0,1,0,1,0,0|0,0,2]=4 18444 B11R1.47 CC=CCOCCC1COC1 ee7210575a05acf8caf6948816c67494 [0,1,0,1,0,0|0,0,2]=4 18445 B11R1.47 CCC#CCCOC1CCC1 7b7c316771dc55b63b7028eb489ea00d [0,1,0,1,0,0|0,0,1]=3 18446 B11R1.47 CCC#CCCOC1COC1 895a8f07d771a3fe867aba7ef68c3057 [0,1,0,1,0,0|1,0,1]=4 18447 B11R1.47 CCC#CCNCC1CCC1 ef894ca49cc0a0ad9fd4172496000786 [0,1,0,1,0,0|1,0,1]=4 18448 B11R1.47 CCC#CCOCC1CCC1 3bef5d84b59e8b71c7b07edfbc2f4c35 [0,1,0,1,0,0|0,0,1]=3 18449 B11R1.47 CCC#CCOCC1CCO1 dffc52aaa512af04622d9d863341f8b7 [0,1,0,1,0,0|0,0,2]=4 18450 B11R1.47 CCC#CCOCC1COC1 36b164face1fbe876bf052268011a5b7 [0,1,0,1,0,0|0,0,2]=4 18451 B11R1.47 CCC#CCOC[C@@H]1CCO1 21bd551481cd13de4680322e1c1ef694 [0,1,0,1,0,0|0,0,2]=4 18452 B11R1.47 CCC#CCOC[C@H]1CCO1 e41ae1bba2b1a77ee2c4ef2d86152a0c [0,1,0,1,0,0|0,0,2]=4 18453 B11R1.47 CCC/C=C/CNC1CCC1 f0fb99c2215b77227f003aeef1b75ddb [0,1,0,1,0,0|1,0,1]=4 18454 B11R1.47 CCC/C=C/COC1CCC1 fb154530bd64717aad2487fcfc2d399a [0,1,0,1,0,0|0,0,1]=3 18455 B11R1.47 CCC/C=C/COC1COC1 3604dff30d498c9259a35a11efd810ad [0,1,0,1,0,0|1,0,1]=4 18456 B11R1.47 CCC/C=C/COC1CSC1 7b85e897848fc979695e1c4fca21b32e [0,1,0,1,0,0|1,0,1]=4 18457 B11R1.47 CCC/C=C\CNC1CCC1 957d8165c41184aba546cb2509e8cc80 [0,1,0,1,0,0|1,0,1]=4 18458 B11R1.47 CCC/C=C\COC1CCC1 adeee1e04f5affe62529504b6300f882 [0,1,0,1,0,0|0,0,1]=3 18459 B11R1.47 CCC/C=C\COC1COC1 b4a610197465d1c72573ad7044d6db53 [0,1,0,1,0,0|1,0,1]=4 18460 B11R1.47 CCC/C=C\COC1CSC1 20ac764a3d239c41135c6c884da4f225 [0,1,0,1,0,0|1,0,1]=4 18461 B11R1.47 CCCC#CCOC1CCC1 1814ac40109b320416fec46a75e40dce [0,1,0,1,0,0|0,0,1]=3 18462 B11R1.47 CCCC#CCOC1COC1 f8ead176204f521d4f96e24acbe4b31c [0,1,0,1,0,0|1,0,1]=4 18463 B11R1.47 CCCC/C=C/CN1CCC1 f3b030a24262ecd7184370f571df8ad8 [0,1,0,1,0,0|1,0,1]=4 18464 B11R1.47 CCCC/C=C\CN1CCC1 12a65e5f3efcc124a87685aca61c0594 [0,1,0,1,0,0|1,0,1]=4 18465 B11R1.47 CCCCCCCN1CCC1 fee8360b73c5a8bdd416a5139d6968a3 [0,1,0,1,0,0|1,0,0]=3 18466 B11R1.47 CCCCCCNC1CCC1 b26a0715d69af89d10892938e8d52ecd [0,1,0,1,0,0|1,0,0]=3 18467 B11R1.47 CCCCCCNC1COC1 de5284ee25bebeb6888cac6223c5cf7d [0,1,0,1,0,0|2,0,0]=4 18468 B11R1.47 CCCCCCOC1CCC1 95c82acfdeac63f9cd311721ad86c980 [0,1,0,1,0,0|0,0,0]=2 18469 B11R1.47 CCCCCCOC1COC1 60bbff0f992a3812da6a4cbcabc1c476 [0,1,0,1,0,0|1,0,0]=3 18470 B11R1.47 CCCCCCOC1CSC1 bc91b288c62723d0c7bff3ccd0cac76c [0,1,0,1,0,0|1,0,0]=3 18471 B11R1.47 CCCCCNCC1CCC1 0b0aceafbf0f7749033fee0175ae828f [0,1,0,1,0,0|1,0,0]=3 18472 B11R1.47 CCCCCNCC1CCO1 747d73e477ba3b14fd230fc000ba1d9d [0,1,0,1,0,0|1,0,0]=3 18473 B11R1.47 CCCCCNCC1COC1 ff0194e51700fb47a9e1884795e071a6 [0,1,0,1,0,0|1,0,0]=3 18474 B11R1.47 CCCCCNC[C@@H]1CCO1 392043285bd95ae0ff440cf219d169df [0,1,0,1,0,0|1,0,0]=3 18475 B11R1.47 CCCCCNC[C@H]1CCO1 41699c21d22797562e5382c98c16cc28 [0,1,0,1,0,0|1,0,0]=3 18476 B11R1.47 CCCCCOCC1CCC1 e59b5b77882d05dc4f715a35f54df6e5 [0,1,0,1,0,0|0,0,0]=2 18477 B11R1.47 CCCCCOCC1CCO1 2e0bdffc82cf36dcae98e3535b3870ad [0,1,0,1,0,0|0,0,0]=2 18478 B11R1.47 CCCCCOCC1COC1 60cd30e719ca1a02d1fbe74aaacdf955 [0,1,0,1,0,0|0,0,0]=2 18479 B11R1.47 CCCCCOCC1CSC1 7339a636cef8b13b32e2417db7a9d4d8 [0,1,0,1,0,0|0,0,0]=2 18480 B11R1.47 CCCCCOC[C@@H]1CCO1 b570869864ddf9b5b97f907b686a338e [0,1,0,1,0,0|0,0,0]=2 18481 B11R1.47 CCCCCOC[C@H]1CCO1 90d4e592e9f8fd134e8b79d08ad995c8 [0,1,0,1,0,0|0,0,0]=2 18482 B11R1.47 CCCCNCCC1CCC1 62baad0f5bbb1adf6b0756fff3d23cce [0,1,0,1,0,0|1,0,0]=3 18483 B11R1.47 CCCCNCCC1CCO1 67f965a722148d216740f7201bb6dc41 [0,1,0,1,0,0|1,0,0]=3 18484 B11R1.47 CCCCNCCC1COC1 81c408222809e106b9b65cf45d9c3b38 [0,1,0,1,0,0|1,0,0]=3 18485 B11R1.47 CCCCNCCN1CCC1 ac5931dc83f36daad2f85464478d2229 [0,1,0,1,0,0|1,0,0]=3 18486 B11R1.47 CCCCNCC[C@@H]1CCO1 aa789319497701350747a24114258a67 [0,1,0,1,0,0|1,0,0]=3 18487 B11R1.47 CCCCOCCC1CCC1 85001243f0c33622d1a508ce0f3b262b [0,1,0,1,0,0|0,0,0]=2 18488 B11R1.47 CCCCOCCC1CCO1 0d19e3cf6ded3e448b9a2892fc698aa6 [0,1,0,1,0,0|0,0,0]=2 18489 B11R1.47 CCCCOCCC1COC1 4b18519d3570401cdf2ca76a643cd309 [0,1,0,1,0,0|0,0,0]=2 18490 B11R1.47 CCCCOCCN1CCC1 f1c15eb353ed30636cba0c3a432a7f4f [0,1,0,1,0,0|0,0,0]=2 18491 B11R1.47 CCCCOCC[C@@H]1CCO1 4c92bef55ca26b5a622f3bbe7b5f493e [0,1,0,1,0,0|0,0,0]=2 18492 B11R1.47 CCCCOCC[C@H]1CCO1 34694f9909c56c54c4a207264ca54746 [0,1,0,1,0,0|0,0,0]=2 18493 B11R1.47 CCCCOCNC1CCC1 87d70ee20d77964052b02012a4b8cfe3 [0,1,0,1,0,0|0,0,0]=2 18494 B11R1.47 CCCCOCNC1COC1 7d999ca00af9cfd1cbade20f6fe13300 [0,1,0,1,0,0|1,0,0]=3 18495 B11R1.47 CCCCOCOC1CCC1 0177bc7749ef86679020b748ccea1f87 [0,1,0,1,0,0|0,0,0]=2 18496 B11R1.47 CCCCOCOC1COC1 2e3607c5ead27f9543c352e73c31aef3 [0,1,0,1,0,0|1,0,0]=3 18497 B11R1.47 CCCCOCOC1CSC1 36ad7c5d34cf212846cbaa1297595c0e [0,1,0,1,0,0|1,0,0]=3 18498 B11R1.47 CCCNCCCN1CCC1 e88915d2490e8d036cb9a8032ed59702 [0,1,0,1,0,0|2,0,0]=4 18499 B11R1.47 CCCNCCOC1CCC1 2f66b2f850045980b3b5a33aa2f764c0 [0,1,0,1,0,0|0,0,0]=2 18500 B11R1.47 CCCOCCCC1CCC1 7382dbd4db11d05da7dc17df968bd9ea [0,1,0,1,0,0|1,0,0]=3 18501 B11R1.47 CCCOCCCC1COC1 bbeba4498e374cd9a321301321b7566d [0,1,0,1,0,0|2,0,0]=4 18502 B11R1.47 CCCOCCCN1CCC1 9f57c190e9c0b0b6ec8f6a4c83c5776d [0,1,0,1,0,0|2,0,0]=4 18503 B11R1.47 CCCOCCNC1CCC1 a6240bc8f0135d0f9e5c649e77fc2401 [0,1,0,1,0,0|1,0,0]=3 18504 B11R1.47 CCCOCCNC1COC1 2cdb7922f63fcc6dce33187e04d746aa [0,1,0,1,0,0|2,0,0]=4 18505 B11R1.47 CCCOCCOC1CCC1 bbceec19bb20ee49155cb185e848c1f0 [0,1,0,1,0,0|0,0,0]=2 18506 B11R1.47 CCCOCCOC1COC1 a696506c09d89c5834136da6d47f4959 [0,1,0,1,0,0|1,0,0]=3 18507 B11R1.47 CCCOCCOC1CSC1 4ff0c71d598440530a2e08cc1fd1dd48 [0,1,0,1,0,0|1,0,0]=3 18508 B11R1.47 CCCSCCOC1CCC1 c24996cc7e5cc87b9214c3c3bc405aa3 [0,1,0,1,0,0|0,0,0]=2 18509 B11R1.47 CCCSCCOC1COC1 7493344104c05470f4e5d2922ed409f9 [0,1,0,1,0,0|1,0,0]=3 18510 B11R1.47 CCOCCCNC1CCC1 2fc662fe875c5603ad6de6652140fffe [0,1,0,1,0,0|1,0,0]=3 18511 B11R1.47 CCOCCCNC1COC1 22adfd51868cdd716558d3220cfcfad6 [0,1,0,1,0,0|2,0,0]=4 18512 B11R1.47 CCOCCCOC1CCC1 4a3a3961f24c64087a70d3f026edb6e0 [0,1,0,1,0,0|0,0,0]=2 18513 B11R1.47 CCOCCCOC1COC1 909da8b1d99a78802951cbc00189fd7c [0,1,0,1,0,0|1,0,0]=3 18514 B11R1.47 CCOCCCOC1CSC1 d17118b577935e6f0ab44d60edd13a6f [0,1,0,1,0,0|1,0,0]=3 18515 B11R1.47 CCOCCNCC1CCC1 b3ef8269e340f473c34d9e4c4c7da7a1 [0,1,0,1,0,0|1,0,0]=3 18516 B11R1.47 CCOCCNCC1CCO1 88ded670f1faf8e162cb35c7ca204a84 [0,1,0,1,0,0|2,0,0]=4 18517 B11R1.47 CCOCCNCC1COC1 27a3823ac25b05c87f1eb8f6f2840740 [0,1,0,1,0,0|2,0,0]=4 18518 B11R1.47 CCOCCNC[C@@H]1CCO1 c9d493e166a96565d3d1920d1c5c454d [0,1,0,1,0,0|2,0,0]=4 18519 B11R1.47 CCOCCNC[C@H]1CCO1 5a9a633daab428e7ed90e008cda78d7f [0,1,0,1,0,0|2,0,0]=4 18520 B11R1.47 CCOCCOCC1CCC1 00f4f58ecdd54453715c952b6b03ffe3 [0,1,0,1,0,0|0,0,0]=2 18521 B11R1.47 CCOCCOCC1CCO1 1f9ba8de74a20a0f49b7aa944843d7cb [0,1,0,1,0,0|1,0,0]=3 18522 B11R1.47 CCOCCOCC1COC1 acade381df439b884e8345c607315a81 [0,1,0,1,0,0|1,0,0]=3 18523 B11R1.47 CCOCCOCC1CSC1 aa2c3076b46c25fe252be6bc496cf09b [0,1,0,1,0,0|1,0,0]=3 18524 B11R1.47 CCOCCOC[C@@H]1CCO1 84122b5ccf6118019ecf92fd0f6422ec [0,1,0,1,0,0|1,0,0]=3 18525 B11R1.47 CCOCCOC[C@H]1CCO1 804832e0004edcb841e82355be321fb6 [0,1,0,1,0,0|1,0,0]=3 18526 B11R1.47 CCOCNCCC1CCC1 5c5f070afc4c5a6491edc848c458e3d9 [0,1,0,1,0,0|2,0,0]=4 18527 B11R1.47 CCOCNCCC1CCO1 336983d99ab723fd786e8263497cab7c [0,1,0,1,0,0|2,0,0]=4 18528 B11R1.47 CCOCNCCC1COC1 0dfa0d05edf5317861f8cacdd204530e [0,1,0,1,0,0|2,0,0]=4 18529 B11R1.47 CCOCNCCN1CCC1 a661ca20733dead3fcac00b1877d682f [0,1,0,1,0,0|2,0,0]=4 18530 B11R1.47 CCOCNCC[C@@H]1CCO1 ec0f916001f37bc8652e8ecef0413035 [0,1,0,1,0,0|2,0,0]=4 18531 B11R1.47 CCOCOCCC1CCC1 2bbf466354495be4ad331541724eb363 [0,1,0,1,0,0|1,0,0]=3 18532 B11R1.47 CCOCOCCC1CCO1 762302154fad78b7a9b13926d1a51d81 [0,1,0,1,0,0|1,0,0]=3 18533 B11R1.47 CCOCOCCC1COC1 b5f262798d09a093736418534dc79344 [0,1,0,1,0,0|1,0,0]=3 18534 B11R1.47 CCOCOCCN1CCC1 703bf6d7c2ac76c5b1ce4239dbbc78c5 [0,1,0,1,0,0|1,0,0]=3 18535 B11R1.47 CCOCOCC[C@@H]1CCO1 f73d1ccd1fea82c85066f3553ac4fb7d [0,1,0,1,0,0|1,0,0]=3 18536 B11R1.47 CCOCOCC[C@H]1CCO1 e58b564b778d737cb152246ca063dd4a [0,1,0,1,0,0|1,0,0]=3 18537 B11R1.47 CCSCCCNC1CCC1 8adc4d1ddda0268ef1358b2dd0dc4b05 [0,1,0,1,0,0|1,0,0]=3 18538 B11R1.47 CCSCCCNC1COC1 76e59a8a2963f5be081046378a8535c4 [0,1,0,1,0,0|2,0,0]=4 18539 B11R1.47 CCSCCCOC1CCC1 6d804e3049445675130f580c06d2a588 [0,1,0,1,0,0|0,0,0]=2 18540 B11R1.47 CCSCCCOC1COC1 bef7c2f7e0e8cd86e816b536622da8ed [0,1,0,1,0,0|1,0,0]=3 18541 B11R1.47 CCSCCCOC1CSC1 923e21a5af10013620043cb94d30cf54 [0,1,0,1,0,0|1,0,0]=3 18542 B11R1.47 CCSCCNCC1CCC1 26f20cef6acce494b9a42f03a02295de [0,1,0,1,0,0|1,0,0]=3 18543 B11R1.47 CCSCCNCC1CCO1 6cec1a531c4005b2d161b6c9cea9e998 [0,1,0,1,0,0|2,0,0]=4 18544 B11R1.47 CCSCCNCC1COC1 d180b5d9d296254cddc8a10a814bf060 [0,1,0,1,0,0|2,0,0]=4 18545 B11R1.47 CCSCCNC[C@@H]1CCO1 0e35a431639220501d80bbbbf4715c3f [0,1,0,1,0,0|2,0,0]=4 18546 B11R1.47 CCSCCNC[C@H]1CCO1 5c9a234aee57fef18266f47840d5c0bf [0,1,0,1,0,0|2,0,0]=4 18547 B11R1.47 CCSCCOCC1CCC1 c8b734cc1df4d3531b441b76d3562049 [0,1,0,1,0,0|0,0,0]=2 18548 B11R1.47 CCSCCOCC1CCO1 a4a58a20357be58a86129d9a0b685c52 [0,1,0,1,0,0|1,0,0]=3 18549 B11R1.47 CCSCCOCC1COC1 ba8ed3c6b28baef6568f7a57e36df26d [0,1,0,1,0,0|1,0,0]=3 18550 B11R1.47 CCSCCOCC1CSC1 bb5be22b45864be539e7d56ec647cd99 [0,1,0,1,0,0|1,0,0]=3 18551 B11R1.47 CCSCCOC[C@@H]1CCO1 ddd731a698131cde61243c807c0e89db [0,1,0,1,0,0|1,0,0]=3 18552 B11R1.47 CCSCCOC[C@H]1CCO1 e258732e57266b2dfc8138eba0f34f22 [0,1,0,1,0,0|1,0,0]=3 18553 B11R1.47 COCC#CCOC1CCC1 6ac6ef2c495497be95aacc5bd462876f [0,1,0,1,0,0|0,0,2]=4 18554 B11R1.47 COCCCCCN1CCC1 ed0cd89bbf0cdd618925437fc011e0dc [0,1,0,1,0,0|2,0,0]=4 18555 B11R1.47 COCCCCNC1CCC1 4e05ff11e7f688bd3b33a03f122af9b8 [0,1,0,1,0,0|1,0,0]=3 18556 B11R1.47 COCCCCNC1COC1 e77b7aee013790b00a6c2e2c8dc504b1 [0,1,0,1,0,0|2,0,0]=4 18557 B11R1.47 COCCCCOC1CCC1 acdbb527a24242f45f8e86ce08f2e7fd [0,1,0,1,0,0|0,0,0]=2 18558 B11R1.47 COCCCCOC1COC1 4aaf2cabd1fc61ab981b506f18355dd2 [0,1,0,1,0,0|1,0,0]=3 18559 B11R1.47 COCCCCOC1CSC1 b2bae2cf8024ab4b07a1e6537723b7b9 [0,1,0,1,0,0|1,0,0]=3 18560 B11R1.47 COCCCNCC1CCC1 2db6dffa35226681adedc07ee9beed20 [0,1,0,1,0,0|1,0,0]=3 18561 B11R1.47 COCCCNCC1CCO1 72c4f9cda2f8fcddbcbb2ac3c52a41db [0,1,0,1,0,0|2,0,0]=4 18562 B11R1.47 COCCCNCC1COC1 6f895a0ddace043520f2afb5740c1bfe [0,1,0,1,0,0|2,0,0]=4 18563 B11R1.47 COCCCNC[C@@H]1CCO1 1e3e752a16b1b7e282c1ac4ea9ca8eb8 [0,1,0,1,0,0|2,0,0]=4 18564 B11R1.47 COCCCNC[C@H]1CCO1 5fb5bfbff68834b9324f66f4900c7890 [0,1,0,1,0,0|2,0,0]=4 18565 B11R1.47 COCCCOCC1CCC1 731c83e4b7303647f59f837e4d56e579 [0,1,0,1,0,0|0,0,0]=2 18566 B11R1.47 COCCCOCC1CCO1 24ea21fbd76a7559fbffe6e3b866a2fb [0,1,0,1,0,0|1,0,0]=3 18567 B11R1.47 COCCCOCC1COC1 8b1fc395c995505af825f2f9ffe39f10 [0,1,0,1,0,0|1,0,0]=3 18568 B11R1.47 COCCCOCC1CSC1 c887964bcb5e44e1aa07ffcaef86859d [0,1,0,1,0,0|1,0,0]=3 18569 B11R1.47 COCCCOC[C@@H]1CCO1 878feaf4abd2183a71f0360ed1acff2d [0,1,0,1,0,0|1,0,0]=3 18570 B11R1.47 COCCCOC[C@H]1CCO1 095c138e57e0d674d95c474fe6ec28f9 [0,1,0,1,0,0|1,0,0]=3 18571 B11R1.47 COCCNCCC1CCC1 9b3625e5a1318b4c46803094c808a05d [0,1,0,1,0,0|2,0,0]=4 18572 B11R1.47 COCCNCCC1CCO1 d2bbc9d84bf46d2356b35f220966f812 [0,1,0,1,0,0|2,0,0]=4 18573 B11R1.47 COCCNCCC1COC1 cd6fe12dfa6be6d5c781815917a9c150 [0,1,0,1,0,0|2,0,0]=4 18574 B11R1.47 COCCNCCN1CCC1 7e4886c5b0569cbbde1b0e91dbe90284 [0,1,0,1,0,0|2,0,0]=4 18575 B11R1.47 COCCNCC[C@@H]1CCO1 bdf7e90e719865474bee7070c5c0339e [0,1,0,1,0,0|2,0,0]=4 18576 B11R1.47 COCCOCCC1CCC1 259902e0a76cb00382140cdad248936c [0,1,0,1,0,0|1,0,0]=3 18577 B11R1.47 COCCOCCC1CCO1 85261d3d4a6e0b0706128fc8f0b56f12 [0,1,0,1,0,0|1,0,0]=3 18578 B11R1.47 COCCOCCC1COC1 407c66026401e8df4d9663553fd048bf [0,1,0,1,0,0|1,0,0]=3 18579 B11R1.47 COCCOCCN1CCC1 05fddd795b11699ce357f9e0d1ed3239 [0,1,0,1,0,0|1,0,0]=3 18580 B11R1.47 COCCOCC[C@@H]1CCO1 fc866bc6bb1a9b398cb9a5224c9549f9 [0,1,0,1,0,0|1,0,0]=3 18581 B11R1.47 COCCOCC[C@H]1CCO1 887411cd2c0b32286a565c51863c67a1 [0,1,0,1,0,0|1,0,0]=3 18582 B11R1.47 COCCOCNC1CCC1 cc83ac897e5ea3bbddc82c9c4243ed0d [0,1,0,1,0,0|1,0,0]=3 18583 B11R1.47 COCCOCNC1COC1 7c37cb99e3b5216fc4ea9ec173fdd336 [0,1,0,1,0,0|2,0,0]=4 18584 B11R1.47 COCCOCOC1CCC1 2650d1f7d0d341487647b238ae747185 [0,1,0,1,0,0|1,0,0]=3 18585 B11R1.47 COCCOCOC1COC1 f56e2f2e038ded5049b07e453fa81b76 [0,1,0,1,0,0|2,0,0]=4 18586 B11R1.47 COCCOCOC1CSC1 55c70e9f2ff74518074d289c5871ce29 [0,1,0,1,0,0|2,0,0]=4 18587 B11R1.47 COCOCCCC1CCC1 06c3e3417415790c6b2b2a278df114e0 [0,1,0,1,0,0|2,0,0]=4 18588 B11R1.47 COCOCCNC1CCC1 071bfb85e1c962a1c9174d0345bf5fa8 [0,1,0,1,0,0|2,0,0]=4 18589 B11R1.47 COCOCCOC1CCC1 7d84ac7b67da6b8d5e0d53e7c9027550 [0,1,0,1,0,0|1,0,0]=3 18590 B11R1.47 COCOCCOC1COC1 b25e6ef308efc8366e35102bc51032a0 [0,1,0,1,0,0|2,0,0]=4 18591 B11R1.47 COCOCCOC1CSC1 20ef7993dfdcf5c91a285e4a65be104d [0,1,0,1,0,0|2,0,0]=4 18592 B11R1.47 CSCCCCNC1CCC1 f288d77f722115c4d469e9c5f617930f [0,1,0,1,0,0|1,0,0]=3 18593 B11R1.47 CSCCCCNC1COC1 45f8d74277462f9297c144fb4c54d6a1 [0,1,0,1,0,0|2,0,0]=4 18594 B11R1.47 CSCCCCOC1CCC1 9bb03d725a9976e0f72a9e402a362ea3 [0,1,0,1,0,0|0,0,0]=2 18595 B11R1.47 CSCCCCOC1COC1 b3ce8a4771cfb91bddf4fccb3c2becf1 [0,1,0,1,0,0|1,0,0]=3 18596 B11R1.47 CSCCCNCC1CCC1 2d74cde2bfdd0c9dc90049c62c6fc188 [0,1,0,1,0,0|1,0,0]=3 18597 B11R1.47 CSCCCNCC1CCO1 a95cae17809f0bd63fcf4ab9122752a5 [0,1,0,1,0,0|2,0,0]=4 18598 B11R1.47 CSCCCNCC1COC1 d57792addd0a403b560c3f7eb25caf6a [0,1,0,1,0,0|2,0,0]=4 18599 B11R1.47 CSCCCNC[C@@H]1CCO1 99f947784ce65392c352da97435d5f4a [0,1,0,1,0,0|2,0,0]=4 18600 B11R1.47 CSCCCNC[C@H]1CCO1 9780be6e7d65a0c676b1481670ce702f [0,1,0,1,0,0|2,0,0]=4 18601 B11R1.47 CSCCCOCC1CCC1 eab37231c3c7dfd30af250d72f4a711f [0,1,0,1,0,0|0,0,0]=2 18602 B11R1.47 CSCCCOCC1CCO1 a4484f89f28df5300654193adcfbcdf4 [0,1,0,1,0,0|1,0,0]=3 18603 B11R1.47 CSCCCOCC1COC1 f25edbaefc356ec8b189817af98d126a [0,1,0,1,0,0|1,0,0]=3 18604 B11R1.47 CSCCCOCC1CSC1 16d4fa72a07b1c1802b07df7a7616577 [0,1,0,1,0,0|1,0,0]=3 18605 B11R1.47 CSCCCOC[C@@H]1CCO1 86c26355a40964358e104d895d3e0047 [0,1,0,1,0,0|1,0,0]=3 18606 B11R1.47 CSCCCOC[C@H]1CCO1 5962838b7b0336bb3ee22ad09d443ed3 [0,1,0,1,0,0|1,0,0]=3 18607 B11R1.47 CSCCNCCC1CCC1 61d0ae70232c289c5caf69c54e84ac40 [0,1,0,1,0,0|2,0,0]=4 18608 B11R1.47 CSCCNCCC1CCO1 84369b517f9878b77f109ee478d17d90 [0,1,0,1,0,0|2,0,0]=4 18609 B11R1.47 CSCCNCCC1COC1 eb04173e8530f11db93472ed98bff7df [0,1,0,1,0,0|2,0,0]=4 18610 B11R1.47 CSCCNCCN1CCC1 9d0f1186beca4408c57236c1c5897504 [0,1,0,1,0,0|2,0,0]=4 18611 B11R1.47 CSCCNCC[C@@H]1CCO1 572ee558fb10a251a7fe95c94c389def [0,1,0,1,0,0|2,0,0]=4 18612 B11R1.47 CSCCOCCC1CCC1 d5f73a036d025960525e04a28eaa5162 [0,1,0,1,0,0|1,0,0]=3 18613 B11R1.47 CSCCOCCC1CCO1 235297a827c4280fb8052dcd248dc772 [0,1,0,1,0,0|1,0,0]=3 18614 B11R1.47 CSCCOCCC1COC1 91713441c5706b3545ef07a8a3c1ba94 [0,1,0,1,0,0|1,0,0]=3 18615 B11R1.47 CSCCOCCN1CCC1 9bd5ba1e30ada15c2d69067b13c19b6e [0,1,0,1,0,0|1,0,0]=3 18616 B11R1.47 CSCCOCC[C@@H]1CCO1 a6cd7ec1a3b18ba943936e359a3400d7 [0,1,0,1,0,0|1,0,0]=3 18617 B11R1.47 CSCCOCC[C@H]1CCO1 5407906e74d3a7eb679b7e3c4cc80798 [0,1,0,1,0,0|1,0,0]=3 18618 B11R1.47 CSCOCCCC1CCC1 0c38c5e96b33ac46065a0f01a4023c54 [0,1,0,1,0,0|2,0,0]=4 18619 B11R1.47 CSCOCCOC1CCC1 8d3119fc1481b9e2a2d58e6974807f8f [0,1,0,1,0,0|1,0,0]=3 18620 B11R1.47 ClCCCCCNC1CCC1 881eee23bc700089a21343b8b89106cb [0,1,0,1,0,0|1,0,0]=3 18621 B11R1.47 ClCCCCCNC1COC1 9763b3fd8efb290230339145132442d5 [0,1,0,1,0,0|2,0,0]=4 18622 B11R1.47 ClCCCCNCC1CCC1 6fe6c25c791f4134c9de1a35e9a810c1 [0,1,0,1,0,0|1,0,0]=3 18623 B11R1.47 ClCCCCNCC1CCO1 18c5cd7f7d8e26c060364fbca52606d0 [0,1,0,1,0,0|2,0,0]=4 18624 B11R1.47 ClCCCCNCC1COC1 79b0c0f5bd4271b843cadc12f7d5751a [0,1,0,1,0,0|2,0,0]=4 18625 B11R1.47 ClCCCCNC[C@@H]1CCO1 ca2f88024066f4f03ea9bf119f978b11 [0,1,0,1,0,0|2,0,0]=4 18626 B11R1.47 ClCCCCNC[C@H]1CCO1 9fa16701fec8827d9c640b3fbbed7948 [0,1,0,1,0,0|2,0,0]=4 18627 B11R1.47 ClCCCNCCC1CCC1 81382a07983cf6a9361cf8374a110197 [0,1,0,1,0,0|2,0,0]=4 18628 B11R1.47 ClCCCNCCC1CCO1 446482e521709eddde9712931fc381da [0,1,0,1,0,0|2,0,0]=4 18629 B11R1.47 ClCCCNCCC1COC1 8d56732a98f7c92b299b190cc9988cf0 [0,1,0,1,0,0|2,0,0]=4 18630 B11R1.47 FCCCCCCN1CCC1 d49ede994a206404f87c492a62b9c47e [0,1,0,1,0,0|2,0,0]=4 18631 B11R1.47 FCCCCCNC1CCC1 c06c0c3679d63bb2deb3e6854edbe4b6 [0,1,0,1,0,0|1,0,0]=3 18632 B11R1.47 FCCCCCNC1COC1 69318c39c56c484c39644ddc08670fbc [0,1,0,1,0,0|2,0,0]=4 18633 B11R1.47 FCCCCCOC1CCC1 50adb4e9da9360c13438ed391503c4c3 [0,1,0,1,0,0|0,0,0]=2 18634 B11R1.47 FCCCCCOC1COC1 9c69296c31f7646a7f20f530d2965964 [0,1,0,1,0,0|1,0,0]=3 18635 B11R1.47 FCCCCCOC1CSC1 53800cbdc285b20824d250dea5ec8634 [0,1,0,1,0,0|1,0,0]=3 18636 B11R1.47 FCCCCNCC1CCC1 678cafb8f76db13d6de57a604f727239 [0,1,0,1,0,0|1,0,0]=3 18637 B11R1.47 FCCCCNCC1CCO1 d0896dc000e95cf4487bb0f1c9357e76 [0,1,0,1,0,0|2,0,0]=4 18638 B11R1.47 FCCCCNCC1COC1 d6f25aeaa5fa8f07bef7c35ae96ce8d3 [0,1,0,1,0,0|2,0,0]=4 18639 B11R1.47 FCCCCNC[C@@H]1CCO1 29379b7b6e4c3e9a354d536ea84a72c9 [0,1,0,1,0,0|2,0,0]=4 18640 B11R1.47 FCCCCNC[C@H]1CCO1 c4a12ec1b6d602168a1fb6bc33e2ca66 [0,1,0,1,0,0|2,0,0]=4 18641 B11R1.47 FCCCCOCC1CCC1 c5a7c8f9cef8caa8b101ca3abf20bdb6 [0,1,0,1,0,0|0,0,0]=2 18642 B11R1.47 FCCCCOCC1CCO1 c6c556fbef805c9b73ed5954a43d1780 [0,1,0,1,0,0|1,0,0]=3 18643 B11R1.47 FCCCCOCC1COC1 d8ac97cd113932d922029eb69dd12f28 [0,1,0,1,0,0|1,0,0]=3 18644 B11R1.47 FCCCCOCC1CSC1 bcd197f91d1d5071b55ee61ccc61350a [0,1,0,1,0,0|1,0,0]=3 18645 B11R1.47 FCCCCOC[C@@H]1CCO1 779a7b6f1942140616489372feaa497a [0,1,0,1,0,0|1,0,0]=3 18646 B11R1.47 FCCCCOC[C@H]1CCO1 65266d9328b255b06259bf09e2a67796 [0,1,0,1,0,0|1,0,0]=3 18647 B11R1.47 FCCCNCCC1CCC1 68ef0a49841b6ab27ae11efc089222ca [0,1,0,1,0,0|2,0,0]=4 18648 B11R1.47 FCCCNCCC1CCO1 0fca9ef3c5132aa8bf057f9445c23bdc [0,1,0,1,0,0|2,0,0]=4 18649 B11R1.47 FCCCNCCC1COC1 1d6a21f2739deab40aaf8076fd09c011 [0,1,0,1,0,0|2,0,0]=4 18650 B11R1.47 FCCCNCCN1CCC1 8920947ead38d548c80ecc769bba9185 [0,1,0,1,0,0|2,0,0]=4 18651 B11R1.47 FCCCNCC[C@@H]1CCO1 78e8dcc4795ac7af89379a499a484925 [0,1,0,1,0,0|2,0,0]=4 18652 B11R1.47 FCCCOCCC1CCC1 f96741d2de6dae7a6b70f1a268231477 [0,1,0,1,0,0|1,0,0]=3 18653 B11R1.47 FCCCOCCC1CCO1 50afa9598a9be8d9c7a2f17d5bd3a7ab [0,1,0,1,0,0|1,0,0]=3 18654 B11R1.47 FCCCOCCC1COC1 e7a6885d68d064b4ad528f21a5adde34 [0,1,0,1,0,0|1,0,0]=3 18655 B11R1.47 FCCCOCCN1CCC1 b94e10a49ba0cd92af71ca2ed31cd115 [0,1,0,1,0,0|1,0,0]=3 18656 B11R1.47 FCCCOCC[C@@H]1CCO1 7fdf70a6f885a7d317e6f25b6911b6f1 [0,1,0,1,0,0|1,0,0]=3 18657 B11R1.47 FCCCOCC[C@H]1CCO1 c510932f495b08191728d0d1a386a123 [0,1,0,1,0,0|1,0,0]=3 18658 B11R1.47 FCCNCCOC1CCC1 2f5a644ef35eab56a50a3cd0d739b489 [0,1,0,1,0,0|1,0,0]=3 18659 B11R1.47 FCCOCCCC1CCC1 873c1a799575801062d2799d21a7bdce [0,1,0,1,0,0|2,0,0]=4 18660 B11R1.47 FCCOCCOC1CCC1 ada87007b725d30c15dff8144fabf551 [0,1,0,1,0,0|1,0,0]=3 18661 B11R1.47 FCCOCCOC1COC1 f079b6aa5112932d942c6b3c769ffa0f [0,1,0,1,0,0|2,0,0]=4 18662 B11R1.47 ICCNCCOC1CCC1 b70e0a65f353c8756f0a2309a9a68c1e [0,1,0,1,0,0|1,0,0]=3 18663 B11R1.47 N#CCCCCNC1CCC1 b8e90418a357a7db25dac0be588503fa [0,1,0,1,0,0|1,0,1]=4 18664 B11R1.47 N#CCCCCOC1CCC1 424e621f4e8b44b80d6f4f791f0c3245 [0,1,0,1,0,0|0,0,1]=3 18665 B11R1.47 N#CCCCCOC1COC1 ed71dcd25c2b43e66cf16bff2e05af17 [0,1,0,1,0,0|1,0,1]=4 18666 B11R1.47 N#CCCCCOC1CSC1 204d6e850d63726d85e73875aa00528f [0,1,0,1,0,0|1,0,1]=4 18667 B11R1.47 N#CCCCNCC1CCC1 2d95245edf8c78c961edbc62622650f3 [0,1,0,1,0,0|1,0,1]=4 18668 B11R1.47 N#CCCCOCC1CCC1 b3b752575aa96ec7009c642ff59fffc1 [0,1,0,1,0,0|0,0,1]=3 18669 B11R1.47 N#CCCCOCC1CCO1 60b6f485c30042f7f092ebdad3b105d2 [0,1,0,1,0,0|1,0,1]=4 18670 B11R1.47 N#CCCCOCC1COC1 d2f98037761d547baaab574d1099f3ca [0,1,0,1,0,0|1,0,1]=4 18671 B11R1.47 N#CCCCOCC1CSC1 e9109e4f78e74277e3bbb21c3e8a1667 [0,1,0,1,0,0|1,0,1]=4 18672 B11R1.47 N#CCCCOC[C@@H]1CCO1 fdd013160c2e3cb14ac94910aee2d0bb [0,1,0,1,0,0|1,0,1]=4 18673 B11R1.47 N#CCCCOC[C@H]1CCO1 a7806a240f705d20f54549a25b66a718 [0,1,0,1,0,0|1,0,1]=4 18674 B11R1.47 N#CCCOCCC1CCC1 6c4760572bd2dffadfe31e8f2fac7b64 [0,1,0,1,0,0|1,0,1]=4 18675 B11R1.47 N#CCCOCCC1CCO1 dab8047259eb8df21040b4135ced9275 [0,1,0,1,0,0|1,0,1]=4 18676 B11R1.47 N#CCCOCCC1COC1 180c670918aeae66aa08577ec08235bf [0,1,0,1,0,0|1,0,1]=4 18677 B11R1.47 N#CCCOCCN1CCC1 f99060981b46f18217b6ecf96ae6eb3d [0,1,0,1,0,0|1,0,1]=4 18678 B11R1.47 N#CCCOCC[C@@H]1CCO1 6c20148042fe3ef341fe5d8844900c17 [0,1,0,1,0,0|1,0,1]=4 18679 B11R1.47 N#CCCOCC[C@H]1CCO1 e0c4bed55c700223257bfc34405e18fd [0,1,0,1,0,0|1,0,1]=4 18680 B11R1.47 N#CCNCCOC1CCC1 7c03be608636592d4b1aeade05932511 [0,1,0,1,0,0|1,0,1]=4 18681 B11R1.47 N#CCOCCOC1CCC1 70b1623699e2086e6c19385e9daf5195 [0,1,0,1,0,0|1,0,1]=4 18682 B11R1.47 NOCCCCNC1CCC1 056c5c486977a0c7ea61f17d894f8b57 [0,1,0,1,0,0|2,0,0]=4 18683 B11R1.47 O=CCCCCNC1CCC1 75f5a2ff94555eebeac27f021bd9654f [0,1,0,1,0,0|1,0,1]=4 18684 B11R1.47 O=CCCCCOC1CCC1 2913cebc375731d5d15805d328552e34 [0,1,0,1,0,0|0,0,1]=3 18685 B11R1.47 O=CCCCCOC1COC1 911a3e359649f3fbf088161da3e54fd3 [0,1,0,1,0,0|1,0,1]=4 18686 B11R1.47 O=CCCCCOC1CSC1 178e40830030728e732e91c0e86da64f [0,1,0,1,0,0|1,0,1]=4 18687 B11R1.47 O=CCCCNCC1CCC1 301c1ff1fb0553def142914f5c4000a6 [0,1,0,1,0,0|1,0,1]=4 18688 B11R1.47 O=CCCCOCC1CCC1 9dfdb12ea4fc4ff4d6503844782e0ff3 [0,1,0,1,0,0|0,0,1]=3 18689 B11R1.47 O=CCCCOCC1CCO1 6d0c239502595cb50a50cf929fe76549 [0,1,0,1,0,0|1,0,1]=4 18690 B11R1.47 O=CCCCOCC1COC1 1804523baec8eb7a0e06f33076dc2211 [0,1,0,1,0,0|1,0,1]=4 18691 B11R1.47 O=CCCCOCC1CSC1 2c4589878b29ba6f52ffcac9ba7101d2 [0,1,0,1,0,0|1,0,1]=4 18692 B11R1.47 O=CCCCOC[C@@H]1CCO1 58d8ce4213e6b593fe63737c639e6afc [0,1,0,1,0,0|1,0,1]=4 18693 B11R1.47 O=CCCCOC[C@H]1CCO1 6076d74cb8c1aaaeb6b4bff9efca0155 [0,1,0,1,0,0|1,0,1]=4 18694 B11R1.47 O=CCCOCCC1CCC1 d2e6b7e727c3111e6f6b4f0ab6792209 [0,1,0,1,0,0|1,0,1]=4 18695 B11R1.47 O=CCCOCCC1CCO1 6583b14541770405b49a7712bab8223b [0,1,0,1,0,0|1,0,1]=4 18696 B11R1.47 O=CCCOCCC1COC1 2d89af37364957099f82bffa9ebf0cf7 [0,1,0,1,0,0|1,0,1]=4 18697 B11R1.47 O=CCCOCCN1CCC1 61690bd35fb5ef69e82b4e9a98b421b2 [0,1,0,1,0,0|1,0,1]=4 18698 B11R1.47 O=CCCOCC[C@@H]1CCO1 503e9eec4a97671bd62a4e276ca38691 [0,1,0,1,0,0|1,0,1]=4 18699 B11R1.47 O=CCCOCC[C@H]1CCO1 96fb0b8b45a42b2ab0eadd4bd1bf1008 [0,1,0,1,0,0|1,0,1]=4 18700 B11R1.47 O=CCOCCOC1CCC1 62de987882c488ca731efb46485a6f4a [0,1,0,1,0,0|1,0,1]=4 18701 B11R1.47 O=CNCCOCC1CCC1 e4b23a00e16e84c2653122be2a629192 [0,1,0,1,0,0|1,0,1]=4 18702 B11R1.47 O=COCCOCC1CCC1 e88defb0615e27ac207f73153424d783 [0,1,0,1,0,0|1,0,1]=4 18703 B11R1.47 OCCCCCCN1CCC1 dfe981e98bf6d51c7c123615845307d8 [0,1,0,1,0,0|2,0,0]=4 18704 B11R1.47 OCCCCCNC1CCC1 29510c75b03d87ee75f1b9d5bd17ea59 [0,1,0,1,0,0|1,0,0]=3 18705 B11R1.47 OCCCCCNC1COC1 36909d29e024c4c4b91f8b44037d0b98 [0,1,0,1,0,0|2,0,0]=4 18706 B11R1.47 OCCCCNCC1CCC1 b7e9410c195c187fafce32b9457cc986 [0,1,0,1,0,0|1,0,0]=3 18707 B11R1.47 OCCCCNCC1CCO1 9863376923210494c358b9d5af7f53a7 [0,1,0,1,0,0|2,0,0]=4 18708 B11R1.47 OCCCCNCC1COC1 e3fdf9bce98185932e80f158abcfef8b [0,1,0,1,0,0|2,0,0]=4 18709 B11R1.47 OCCCCNC[C@@H]1CCO1 93c37a7e0e0862a7554310dfe602580d [0,1,0,1,0,0|2,0,0]=4 18710 B11R1.47 OCCCCNC[C@H]1CCO1 4f6d3d9fd6fabe1ae74aba7b14ce133f [0,1,0,1,0,0|2,0,0]=4 18711 B11R1.47 OCCCNCCC1CCC1 85e191147830ea37186697a32920468c [0,1,0,1,0,0|2,0,0]=4 18712 B11R1.47 OCCCNCCC1CCO1 3678f1d68dab4840488915e4c9209d8e [0,1,0,1,0,0|2,0,0]=4 18713 B11R1.47 OCCCNCCC1COC1 9e923e36d0a324570e943f0e392fcd41 [0,1,0,1,0,0|2,0,0]=4 18714 B11R1.47 OCCCNCCN1CCC1 d5d6c03f840a524a99fceecfe701873b [0,1,0,1,0,0|2,0,0]=4 18715 B11R1.47 OCCCNCC[C@@H]1CCO1 caa979ba94dba4a31f3de36a1644674c [0,1,0,1,0,0|2,0,0]=4 18716 B11R1.47 OCCNCCOC1CCC1 8cdef3abce4892bbf61b33f04d6904ed [0,1,0,1,0,0|1,0,0]=3 18717 B11R1.47 OCCOCCNC1CCC1 1e754f1a6dc3368cbefedea14d6ee0f7 [0,1,0,1,0,0|2,0,0]=4 18718 B11R1.47 OCCSCCNC1CCC1 698297a621ad18efca0241de4e572749 [0,1,0,1,0,0|2,0,0]=4 18719 B11R1.47 SCCCCNCC1CCC1 81231495de3be593161b69415dd2ab64 [0,1,0,1,0,0|1,0,0]=3 18720 B11R1.47 SCCCCNCC1CCO1 e98688b52f48bb259b522e0a994c80e3 [0,1,0,1,0,0|2,0,0]=4 18721 B11R1.47 SCCCCNCC1COC1 07e111e6897e91e5d2bb085c745f769b [0,1,0,1,0,0|2,0,0]=4 18722 B11R1.47 SCCCCNC[C@@H]1CCO1 1ed6dfa18aa969d89d4855e3917c5a24 [0,1,0,1,0,0|2,0,0]=4 18723 B11R1.47 SCCCCNC[C@H]1CCO1 9bb3a148ed9a035b411369c46538a137 [0,1,0,1,0,0|2,0,0]=4 18724 B11R1.47 SCCCCOCC1CCC1 7d0ebf7b7b5ae5a15708b69b2b7e36b3 [0,1,0,1,0,0|0,0,0]=2 18725 B11R1.47 SCCCCOCC1CCO1 c0ad552b30fd23ca97e61e490adf15d4 [0,1,0,1,0,0|1,0,0]=3 18726 B11R1.47 SCCCCOCC1COC1 26e95308dd16cae56b4916fcb1ad6266 [0,1,0,1,0,0|1,0,0]=3 18727 B11R1.47 SCCCCOC[C@@H]1CCO1 0b80e92de6c1890a4e4b77c1c46fab29 [0,1,0,1,0,0|1,0,0]=3 18728 B11R1.47 SCCCCOC[C@H]1CCO1 26ab6dc1936e1d44df916535f7f554aa [0,1,0,1,0,0|1,0,0]=3 18729 B11R1.47 SCCCNCCC1CCC1 0419a04cee6de66bfa831dde7bae9073 [0,1,0,1,0,0|2,0,0]=4 18730 B11R1.47 SCCCNCCC1CCO1 09323ef652abfc749f722ae0246b70a9 [0,1,0,1,0,0|2,0,0]=4 18731 B11R1.47 SCCCNCCC1COC1 f7208fc7375f1ce6b84800e5209015c6 [0,1,0,1,0,0|2,0,0]=4 18732 B11R1.47 SCCCNCCN1CCC1 0622a043cbfcf6946b9718fb39d9cfcb [0,1,0,1,0,0|2,0,0]=4 18733 B11R1.47 SCCCNCC[C@@H]1CCO1 b5c5d4f84e5ded340ba60d7f7a4930ac [0,1,0,1,0,0|2,0,0]=4 18734 B11R1.47 SCCCOCCC1CCC1 c570e993003db0640620f3e32883c571 [0,1,0,1,0,0|1,0,0]=3 18735 B11R1.47 SCCCOCCC1CCO1 ccccbe9abc5feb404af28f27346ab232 [0,1,0,1,0,0|1,0,0]=3 18736 B11R1.47 SCCCOCCC1COC1 45a55aa952bff2ba835196a1e877c396 [0,1,0,1,0,0|1,0,0]=3 18737 B11R1.47 SCCCOCCN1CCC1 aaf02b191e5ce472d3b3b60c3455e87f [0,1,0,1,0,0|1,0,0]=3 18738 B11R1.47 SCCCOCC[C@@H]1CCO1 fa6de68d1000e31908274d11a3ba4457 [0,1,0,1,0,0|1,0,0]=3 18739 B11R1.47 SCCCOCC[C@H]1CCO1 5d00ace7649477eee1a0a53f1eddd5f3 [0,1,0,1,0,0|1,0,0]=3 18740 B11R1.47 SCCNCCOC1CCC1 a2cf5831330c375e7dc03b155111d3db [0,1,0,1,0,0|1,0,0]=3 18741 B11R1.47 SCCOCCCC1CCC1 73a6ffea2d3808f5a2343b8f73c7d3e3 [0,1,0,1,0,0|2,0,0]=4 18742 B11R1.47 SCCOCCNC1CCC1 081d268cb6f7580ae7db83d4043ac400 [0,1,0,1,0,0|2,0,0]=4 18743 B11R1.47 SCCOCCOC1CCC1 7761bf3d6c44a8606126fd019f26bd0d [0,1,0,1,0,0|1,0,0]=3 18744 B11R1.47 SCCOCCOC1COC1 054bbaa7f2c6e89e74271de5a85b7dc5 [0,1,0,1,0,0|2,0,0]=4 18745 B11R1.51 CCN1CCCCCC1CO 5b9c33c66c2a14262594aac64dae96e9 [0,1,0,1,0,0|2,0,0]=4 18746 B11R1.51 CCN1CCCOCC1CO d0681843a30da34b7a05df408ca409ab [0,1,0,1,0,0|1,0,0]=3 18747 B11R1.51 CCN1CCCOC[C@@H]1CO 5d7455ea6719a2d493891fbce4090b7a [0,1,0,1,0,0|1,0,0]=3 18748 B11R1.51 CCN1CCCOC[C@H]1CO 7946cfd128232d469dd123ac8b253f5c [0,1,0,1,0,0|1,0,0]=3 18749 B11R1.51 OCC1COCCCN1CF f52803510b3b0a4ebbcdb3d7e2d33f7b [0,1,0,1,0,0|2,0,0]=4 18750 B11R1.51 OCC1COCCCN1CO 94bdbbff06ef0694a77240543307c867 [0,1,0,1,0,0|2,0,0]=4 18751 B11R1.51 OC[C@@H]1COCCCN1CF 6f686ae3fa754f3abd47283ba1d16b0a [0,1,0,1,0,0|2,0,0]=4 18752 B11R1.51 OC[C@@H]1COCCCN1CO e186bd1c87a18537febef63f93b11949 [0,1,0,1,0,0|2,0,0]=4 18753 B11R1.51 OC[C@H]1COCCCN1CF 65227efb13f462b47bbdf01cd5551826 [0,1,0,1,0,0|2,0,0]=4 18754 B11R1.51 OC[C@H]1COCCCN1CO 2b8fcc09639e7ce5b6fef30908de4c29 [0,1,0,1,0,0|2,0,0]=4 18755 B11R1.109 CCCC1C=CCN1CCC 901b72bd747912eed96e80ae8d9afc0a [0,1,0,1,0,0|1,0,1]=4 18756 B11R1.109 CCCC1SCCN1CCC 2556b8f198fd867c85558f018016e2f9 [0,1,0,1,0,0|0,1,0]=3 18757 B11R1.109 CCCC1SCCN1CCF f5143cff2a7388c023ff234c8ebb5212 [0,1,0,1,0,0|1,1,0]=4 18758 B11R1.109 CCCC1SCCN1CCO 794873e09cefd6c3df3e8e9e6cc7d75e [0,1,0,1,0,0|1,1,0]=4 18759 B11R1.109 CCCC1SCCN1CCS 810c17bdf7ccabc48f6497f397ccbabf [0,1,0,1,0,0|1,1,0]=4 18760 B11R1.109 CCCC1SCCN1COC c7e5b97d639078b6db5703ece690373d [0,1,0,1,0,0|1,1,0]=4 18761 B11R1.109 CCCC1SCCN1CSC 3c3357d069b391e088dbd94b6ce5977b [0,1,0,1,0,0|1,1,0]=4 18762 B11R1.109 CCCN1CCCC1CCO 0546c8bf6c6bab9276b0a60be9bf47e2 [0,1,0,1,0,0|2,0,0]=4 18763 B11R1.109 CCCN1CCCC1COC a895f441cf1248553bd9579c23e2d0ae [0,1,0,1,0,0|2,0,0]=4 18764 B11R1.109 CCCN1CCCC1CSC d598f652c0ba1cbc8e65842f936cf7c0 [0,1,0,1,0,0|2,0,0]=4 18765 B11R1.109 CCCN1CCC[C@@H]1CCO 4278d4edf676540698dba79e59f9ddee [0,1,0,1,0,0|2,0,0]=4 18766 B11R1.109 CCCN1CCC[C@@H]1COC 206fa0bb7ef6367d6fa0e0d9bbf9ed9d [0,1,0,1,0,0|2,0,0]=4 18767 B11R1.109 CCCN1CCC[C@H]1COC 05ef159412577459cf5ea4565251ccaf [0,1,0,1,0,0|2,0,0]=4 18768 B11R1.109 CCN[C@@H]1CCC[C@@H]1COC 7ffe2fa0f1e1248d1ca68384378fd5ab [0,1,0,1,0,0|2,0,0]=4 18769 B11R1.109 CCN[C@H]1CCC[C@H]1COC 28e30f55064a095a4d83e91efb76ac2e [0,1,0,1,0,0|2,0,0]=4 18770 B11R1.181 C#CCCCN1CCC1CC 39ba2cf5c9464e3f02e8743d9946c6e8 [0,1,0,1,0,0|1,0,1]=4 18771 B11R1.181 C=CCCCN1CCC1CC b20854ca9e4869823a142b215fefcc3f [0,1,0,1,0,0|1,0,1]=4 18772 B11R1.181 CC/C=C/CN1CCC1CC cfa2436c8d90e40269073e89f0d9d447 [0,1,0,1,0,0|1,0,1]=4 18773 B11R1.181 CCC#CCN1CCC1CC 32bef1f84caba3e4bc0dc3be47e1e8a3 [0,1,0,1,0,0|1,0,1]=4 18774 B11R1.181 CCC1CCN1CCCC#N 2a79f334c9241fcf5e5093c91190063f [0,1,0,1,0,0|1,0,1]=4 18775 B11R1.181 CCC1CCN1CCCC=O aaffcec3418467ce8ae9c27e554405cd [0,1,0,1,0,0|1,0,1]=4 18776 B11R1.181 CCC1CCN1CCCCF 4e2c724c021dbac46f773b44403d0bab [0,1,0,1,0,0|1,0,0]=3 18777 B11R1.181 CCC1CCN1CCCCO 6dcefaab7839eafb56d4489f1ad59479 [0,1,0,1,0,0|1,0,0]=3 18778 B11R1.181 CCC1CCN1CCCOC 46269441a6c4f7b08a2e7e0af8a8589b [0,1,0,1,0,0|1,0,0]=3 18779 B11R1.181 CCC1CCN1CCCSC 7360975a0bcf9cc17fb97b6505d6ca76 [0,1,0,1,0,0|1,0,0]=3 18780 B11R1.181 CCCCCN1CCC1CC d87c5a1952c60e2a0dc9773d9714a4e0 [0,1,0,1,0,0|1,0,0]=3 18781 B11R1.181 CCCCCN1CCC1CO 6df1327feaf83954da6b9a067cabb546 [0,1,0,1,0,0|1,0,0]=3 18782 B11R1.181 CCCCCN1CC[C@@H]1CO ea98adfd739b3f69e4fd108b2760c455 [0,1,0,1,0,0|1,0,0]=3 18783 B11R1.181 CCCCCN1CC[C@H]1CO 762996ba67c76ae98634a15c6d26763b [0,1,0,1,0,0|1,0,0]=3 18784 B11R1.181 CCCCNC1CCC1OC 6dd31c065a28468fcce35b5e7bfa21f4 [0,1,0,1,0,0|1,0,0]=3 18785 B11R1.181 CCCCN[C@@H]1CC[C@@H]1OC fea0702715db67b15cf6921d6b2b52ad [0,1,0,1,0,0|1,0,0]=3 18786 B11R1.181 CCCCN[C@@H]1CC[C@H]1OC 9dd153bb410ea57c19a91ae73dea2e33 [0,1,0,1,0,0|1,0,0]=3 18787 B11R1.181 CCCCN[C@H]1CC[C@@H]1OC d32ffa27bccaa77e5e280a400aac6371 [0,1,0,1,0,0|1,0,0]=3 18788 B11R1.181 CCCCN[C@H]1CC[C@H]1OC ec311279d24da909fb79a29807b1b885 [0,1,0,1,0,0|1,0,0]=3 18789 B11R1.181 CCCOCC1CCC1OC 72fa20f1c9722a919d48ee92d51e59bd [0,1,0,1,0,0|2,0,0]=4 18790 B11R1.181 CCCOC[C@@H]1CC[C@H]1OC 510ab44498952463dd6a2987759beafc [0,1,0,1,0,0|2,0,0]=4 18791 B11R1.181 CCCOC[C@H]1CC[C@H]1OC 3dfba8b44a94e76109f506a548ded20f [0,1,0,1,0,0|2,0,0]=4 18792 B11R1.181 CCOCCN1CCC1CC 905d8055dd619186f482aabd7a6bf1c9 [0,1,0,1,0,0|1,0,0]=3 18793 B11R1.181 CCOCCN1CCC1CO aff21467892f481418f7af6157163063 [0,1,0,1,0,0|2,0,0]=4 18794 B11R1.181 CCOCCN1CC[C@@H]1CO e89fc01bb266118820e69a78d0e9ba81 [0,1,0,1,0,0|2,0,0]=4 18795 B11R1.181 CCOCCN1CC[C@H]1CO 1dce2ed3765b7a9eb16f9579e88ca9ce [0,1,0,1,0,0|2,0,0]=4 18796 B11R1.181 CCOCNC1CCC1OC 1a962c143ef371b37523322340c2fdc3 [0,1,0,1,0,0|2,0,0]=4 18797 B11R1.181 CCOCN[C@@H]1CC[C@@H]1OC 900d680236e6c69ad897a0e0829bcc11 [0,1,0,1,0,0|2,0,0]=4 18798 B11R1.181 CCOCN[C@@H]1CC[C@H]1OC 7d793eb5bf38cac5c29a4f0c8153524a [0,1,0,1,0,0|2,0,0]=4 18799 B11R1.181 CCOCN[C@H]1CC[C@@H]1OC 3b5a9fb268bf6646358759dd0945102b [0,1,0,1,0,0|2,0,0]=4 18800 B11R1.181 CCOCN[C@H]1CC[C@H]1OC 06120671dd857265c262c9b4ef33f686 [0,1,0,1,0,0|2,0,0]=4 18801 B11R1.181 CCSCCN1CCC1CC 08fca5fd4ac185ab96f1212290b39dcc [0,1,0,1,0,0|1,0,0]=3 18802 B11R1.181 CCSCCN1CCC1CO 54ae70e88c8beacf4b605a641ae2f771 [0,1,0,1,0,0|2,0,0]=4 18803 B11R1.181 CCSCCN1CC[C@@H]1CO e9955121b2491b2de801e46491864ad1 [0,1,0,1,0,0|2,0,0]=4 18804 B11R1.181 CCSCCN1CC[C@H]1CO 7261c4b45f6fdee88a5b316c3e9c56da [0,1,0,1,0,0|2,0,0]=4 18805 B11R1.181 COC1CCC1NCCCF 56802b172abfc7384d2e065882095eaf [0,1,0,1,0,0|2,0,0]=4 18806 B11R1.181 COC1CCC1NCCCO b345c861eda2ef7fc1d6c16af2c38bed [0,1,0,1,0,0|2,0,0]=4 18807 B11R1.181 COC1CCC1NCCCS e7e00276c292230f131c6eb6377c46b9 [0,1,0,1,0,0|2,0,0]=4 18808 B11R1.181 COC1CCC1NCCSC 125008c21df815da0c030e0671d361c5 [0,1,0,1,0,0|2,0,0]=4 18809 B11R1.181 COCCCN1CCC1CO 65a7d8e408b06643ad6c461f044c3566 [0,1,0,1,0,0|2,0,0]=4 18810 B11R1.181 COCCCN1CC[C@@H]1CO 9b340f1907cd68f46fbdce99f6d2932b [0,1,0,1,0,0|2,0,0]=4 18811 B11R1.181 COCCCN1CC[C@H]1CO 5aa67e064640ff045d1f6232a525f2f2 [0,1,0,1,0,0|2,0,0]=4 18812 B11R1.181 COCCNC1CCC1OC 296c1380371c477265a6e0d5661939e2 [0,1,0,1,0,0|2,0,0]=4 18813 B11R1.181 COCCN[C@@H]1CC[C@@H]1OC 5f845de4760e612c4457adf0570d2b7e [0,1,0,1,0,0|2,0,0]=4 18814 B11R1.181 COCCN[C@@H]1CC[C@H]1OC 22d524d72dafd8b81f5971c7fa897d7f [0,1,0,1,0,0|2,0,0]=4 18815 B11R1.181 COCCN[C@H]1CC[C@@H]1OC d6b4dbb3cbd2b689c747b56f5f69fb20 [0,1,0,1,0,0|2,0,0]=4 18816 B11R1.181 COCCN[C@H]1CC[C@H]1OC 0c6faf885d13739624c5df4b9cde1659 [0,1,0,1,0,0|2,0,0]=4 18817 B11R1.181 CO[C@@H]1CC[C@@H]1NCCCF 515b4a179b889ae3459e8220e80c0c1b [0,1,0,1,0,0|2,0,0]=4 18818 B11R1.181 CO[C@@H]1CC[C@@H]1NCCCO 266adfd0bc08dbcf7e54c932b48635b2 [0,1,0,1,0,0|2,0,0]=4 18819 B11R1.181 CO[C@@H]1CC[C@@H]1NCCCS fa66d9a81b92accd8f46c7e125f2d025 [0,1,0,1,0,0|2,0,0]=4 18820 B11R1.181 CO[C@@H]1CC[C@@H]1NCCSC afa7776f3c8999acc36d1c0e72556d45 [0,1,0,1,0,0|2,0,0]=4 18821 B11R1.181 CO[C@@H]1CC[C@H]1NCCCF 9bc08536ceb93eeb423b1547ca2133be [0,1,0,1,0,0|2,0,0]=4 18822 B11R1.181 CO[C@@H]1CC[C@H]1NCCCO d1eb85ae6340e68bfb320ece4eb054ad [0,1,0,1,0,0|2,0,0]=4 18823 B11R1.181 CO[C@@H]1CC[C@H]1NCCCS 292a7db39b21677b8386890b1d602664 [0,1,0,1,0,0|2,0,0]=4 18824 B11R1.181 CO[C@@H]1CC[C@H]1NCCSC c98df44645c8c996d65abcd01bf120da [0,1,0,1,0,0|2,0,0]=4 18825 B11R1.181 CO[C@H]1CC[C@@H]1NCCCF 3cae264473f3eb9697f2324dabc76f97 [0,1,0,1,0,0|2,0,0]=4 18826 B11R1.181 CO[C@H]1CC[C@@H]1NCCCO 34e0ccbbb01399e43a54b5d30cec5a65 [0,1,0,1,0,0|2,0,0]=4 18827 B11R1.181 CO[C@H]1CC[C@@H]1NCCCS 97935cb865aaf1b4176c1e1d650ea454 [0,1,0,1,0,0|2,0,0]=4 18828 B11R1.181 CO[C@H]1CC[C@@H]1NCCSC 52e3cf56edd6a4e0c71d1dc7c4b3f65c [0,1,0,1,0,0|2,0,0]=4 18829 B11R1.181 CO[C@H]1CC[C@H]1NCCCF 7f4da6260c614319792b65d82f440b6d [0,1,0,1,0,0|2,0,0]=4 18830 B11R1.181 CO[C@H]1CC[C@H]1NCCCO c74fa114de4299f7d428f618273e9d1a [0,1,0,1,0,0|2,0,0]=4 18831 B11R1.181 CO[C@H]1CC[C@H]1NCCCS 34ffd78a7161da26eae9b60e564cd9ac [0,1,0,1,0,0|2,0,0]=4 18832 B11R1.181 CO[C@H]1CC[C@H]1NCCSC 6edf1e78663dfe792180b532e5f48b74 [0,1,0,1,0,0|2,0,0]=4 18833 B11R1.181 CSCCCN1CCC1CO 2ddbe57a428de1745fb0ae6ffc404577 [0,1,0,1,0,0|2,0,0]=4 18834 B11R1.181 CSCCCN1CC[C@@H]1CO af8e99db2d0954bf741eeabbe1071bf8 [0,1,0,1,0,0|2,0,0]=4 18835 B11R1.181 CSCCCN1CC[C@H]1CO 9a85296fe7f60058cf896ae5c18dac16 [0,1,0,1,0,0|2,0,0]=4 18836 B11R1.181 OCC1CCN1CCCCF 0a07c738fd9fe3a3890c40b2a2240c79 [0,1,0,1,0,0|2,0,0]=4 18837 B11R1.181 OCCCCN1CCC1CO 97cdd2bae2f68b3b41abae5a2399cbe7 [0,1,0,1,0,0|2,0,0]=4 18838 B11R1.181 OCCCCN1CC[C@@H]1CO 386401a992931ec0545f8db5387160d7 [0,1,0,1,0,0|2,0,0]=4 18839 B11R1.181 OCCCCN1CC[C@H]1CO b5c607c2e49f89874699a7427b6edbff [0,1,0,1,0,0|2,0,0]=4 18840 B11R1.181 OC[C@@H]1CCN1CCCCF 6b1654def6b05c5b92c1d21b155c5abe [0,1,0,1,0,0|2,0,0]=4 18841 B11R1.181 OC[C@H]1CCN1CCCCF 70f6399e0ea6f7e05db4e2829390c6ff [0,1,0,1,0,0|2,0,0]=4 18842 B11R1.190 C#CCCCN[C@@H]1CC[C@H]1C b813ace2b05b5fcc0ba7abbd7dea6560 [0,1,0,1,0,0|1,0,1]=4 18843 B11R1.190 C#CCCCN[C@H]1CC[C@H]1C 4d9bd9cf2db4e45298162392f385c892 [0,1,0,1,0,0|1,0,1]=4 18844 B11R1.190 C#CCCCOC1COC1C 25713c1f13019ad63722187d6ea818c6 [0,1,0,1,0,0|0,0,2]=4 18845 B11R1.190 C#CCCOCC1CCC1F ec59000abd163683211a05fd6d7c6e06 [0,1,0,1,0,0|0,0,2]=4 18846 B11R1.190 C#CCCOCC1CCN1C 26596babe1ef46cd8d5b7fd810253a91 [0,1,0,1,0,0|0,0,2]=4 18847 B11R1.190 C#CCCOC[C@@H]1CCN1C ce07fc115e77da3723f6e303783ac605 [0,1,0,1,0,0|0,0,2]=4 18848 B11R1.190 C#CCCOC[C@H]1CCN1C bfb3270b8bbeeae4d351f06a8f99b5e0 [0,1,0,1,0,0|0,0,2]=4 18849 B11R1.190 C/C=C/COCC1CCC1F e0867ac0daff08a56da3de3468315b4b [0,1,0,1,0,0|0,0,2]=4 18850 B11R1.190 C/C=C/COCC1CCN1C 501d991611f8ba3f643683d80d1661c4 [0,1,0,1,0,0|0,0,2]=4 18851 B11R1.190 C/C=C/COC[C@@H]1CCN1C 4c6776a6771852f698c0440a9e1d662e [0,1,0,1,0,0|0,0,2]=4 18852 B11R1.190 C/C=C/COC[C@H]1CCN1C 211af37b7ff92616d784e6bebc505ca6 [0,1,0,1,0,0|0,0,2]=4 18853 B11R1.190 C/C=C\COCC1CCC1F 5c9128d797012117516942fca6562279 [0,1,0,1,0,0|0,0,2]=4 18854 B11R1.190 C/C=C\COCC1CCN1C 71ebf0676a735fe3afa66f9a40738b0a [0,1,0,1,0,0|0,0,2]=4 18855 B11R1.190 C/C=C\COC[C@@H]1CCN1C e56859424f659d6858b35feee0ef5cde [0,1,0,1,0,0|0,0,2]=4 18856 B11R1.190 C/C=C\COC[C@H]1CCN1C 7b679ca7e6b0b641b25b08e4042f6d25 [0,1,0,1,0,0|0,0,2]=4 18857 B11R1.190 C=CCCCN[C@@H]1CC[C@H]1C 77570717ad4fe8da339d188a3ec0239e [0,1,0,1,0,0|1,0,1]=4 18858 B11R1.190 C=CCCCN[C@H]1CC[C@H]1C 027308206c7243f841e075801b523557 [0,1,0,1,0,0|1,0,1]=4 18859 B11R1.190 C=CCCCOC1COC1C fa05955c622cc063425d62e05fc58939 [0,1,0,1,0,0|0,0,2]=4 18860 B11R1.190 C=CCCOCC1CCC1F 96653db55a9cd554bf37bc0fe5435997 [0,1,0,1,0,0|0,0,2]=4 18861 B11R1.190 C=CCCOCC1CCN1C a19c02ed01a8dd4125aed342a2321b14 [0,1,0,1,0,0|0,0,2]=4 18862 B11R1.190 C=CCCOC[C@@H]1CCN1C af96d38c74c2defd7c3f11616cb3d05c [0,1,0,1,0,0|0,0,2]=4 18863 B11R1.190 C=CCCOC[C@H]1CCN1C fa650d79ba1c24f4bde5a04947906122 [0,1,0,1,0,0|0,0,2]=4 18864 B11R1.190 CC/C=C/CN[C@@H]1CC[C@H]1C 1faad789915f89670e5991a75456bc8e [0,1,0,1,0,0|1,0,1]=4 18865 B11R1.190 CC/C=C/CN[C@H]1CC[C@H]1C 69586106f34ad43fe495d59a38d2961e [0,1,0,1,0,0|1,0,1]=4 18866 B11R1.190 CC/C=C/COC1COC1C 6a755ebbc7d3d392812001a868d8bf03 [0,1,0,1,0,0|0,0,2]=4 18867 B11R1.190 CC1OCC1NCCCCF 3e168ab0ac15ba6b6d0649c7f462f46c [0,1,0,1,0,0|2,0,0]=4 18868 B11R1.190 CC1OCC1NCCCCO 4b8bce5f107b2ee705a2586fda914f46 [0,1,0,1,0,0|2,0,0]=4 18869 B11R1.190 CC1OCC1OCCCC#N d4306811d8aee71377b79d8d5f4b797c [0,1,0,1,0,0|1,0,1]=4 18870 B11R1.190 CC1OCC1OCCCC=O 7b87b5c90ad93ab46ae3a6adad34daa9 [0,1,0,1,0,0|1,0,1]=4 18871 B11R1.190 CC1OCC1OCCCCF 010fc82e36aab44e1478f0a6fbbec59b [0,1,0,1,0,0|1,0,0]=3 18872 B11R1.190 CCC#CCN[C@@H]1CC[C@H]1C 92feb3b5414eead01c10a6d053435f19 [0,1,0,1,0,0|1,0,1]=4 18873 B11R1.190 CCC#CCN[C@H]1CC[C@H]1C d2ab64d4a46022d178acce728bec037f [0,1,0,1,0,0|1,0,1]=4 18874 B11R1.190 CCC#CCOC1COC1C 45269c6d82a54b9712b5a468e75fd9b7 [0,1,0,1,0,0|0,0,2]=4 18875 B11R1.190 CCCCCNC1CCC1F a146047d38c3bdd9090085a413871235 [0,1,0,1,0,0|1,0,0]=3 18876 B11R1.190 CCCCCNC1CCC1O 410aa34364c82b055bc5985073043c05 [0,1,0,1,0,0|1,0,0]=3 18877 B11R1.190 CCCCCNC1COC1C 3aacd0a2a062c954e2541a06a482d870 [0,1,0,1,0,0|1,0,0]=3 18878 B11R1.190 CCCCCN[C@@H]1CC[C@@H]1O 3bfddf88d98d6ab4994d6784c3fd6517 [0,1,0,1,0,0|1,0,0]=3 18879 B11R1.190 CCCCCN[C@@H]1CC[C@H]1C 002f44fb3ffabbe6605e6c3f7dd381bf [0,1,0,1,0,0|1,0,0]=3 18880 B11R1.190 CCCCCN[C@@H]1CC[C@H]1O 34c028bce85047ac0c4cc16404f41087 [0,1,0,1,0,0|1,0,0]=3 18881 B11R1.190 CCCCCN[C@H]1CC[C@@H]1O 5ea4d0eba39dbdbad00d06d8e47d31a3 [0,1,0,1,0,0|1,0,0]=3 18882 B11R1.190 CCCCCN[C@H]1CC[C@H]1C 5a06436e33acd44359303f29494f2b5b [0,1,0,1,0,0|1,0,0]=3 18883 B11R1.190 CCCCCN[C@H]1CC[C@H]1O cba60cfc8498948982fdaefc9b5ecaf9 [0,1,0,1,0,0|1,0,0]=3 18884 B11R1.190 CCCCCOC1CCC1=O 355911051df85b56020429c0f95056f7 [0,1,0,1,0,0|0,0,1]=3 18885 B11R1.190 CCCCCOC1COC1C a62b7a902b7662df8ccd5c7e3e430cf6 [0,1,0,1,0,0|0,0,0]=2 18886 B11R1.190 CCCCNCC1CCN1C 59187fb9acd1a125bedab51e19941618 [0,1,0,1,0,0|1,0,0]=3 18887 B11R1.190 CCCCOCC1CCC1=O f257a7edcf4781b415caf68b4efc97ae [0,1,0,1,0,0|0,0,1]=3 18888 B11R1.190 CCCCOCC1CCC1F 242777143ecb2cd46f7a74061f6d0e4f [0,1,0,1,0,0|0,0,0]=2 18889 B11R1.190 CCCCOCC1CCN1C 7921ea40754a8b7abe3e2e4c83e7b4e2 [0,1,0,1,0,0|0,0,0]=2 18890 B11R1.190 CCCCOCC1COC1=O c6bd5bc4efe8fe9efa0449e654721e6c [0,1,0,1,0,0|1,0,1]=4 18891 B11R1.190 CCCCOC[C@@H]1CCN1C 58a093bd1a5865018cd62b7c89d1854a [0,1,0,1,0,0|0,0,0]=2 18892 B11R1.190 CCCCOC[C@H]1CCN1C f9b70a340c96b2720df6380bfaf0b4cf [0,1,0,1,0,0|0,0,0]=2 18893 B11R1.190 CCOCCNC1CCC1F 66ffcaa501d1d93acd2282752e91feec [0,1,0,1,0,0|2,0,0]=4 18894 B11R1.190 CCOCCNC1CCC1O 888f67b278d647ce0f6b2e80d72a24a3 [0,1,0,1,0,0|2,0,0]=4 18895 B11R1.190 CCOCCNC1COC1C 1c23f5b51cfb118cc421bff00957f433 [0,1,0,1,0,0|2,0,0]=4 18896 B11R1.190 CCOCCN[C@@H]1CC[C@@H]1O ab59ccc276db747148ad6466116c9387 [0,1,0,1,0,0|2,0,0]=4 18897 B11R1.190 CCOCCN[C@@H]1CC[C@H]1C ad194e9ee9d537eff7e698e30ef07ee9 [0,1,0,1,0,0|1,0,0]=3 18898 B11R1.190 CCOCCN[C@@H]1CC[C@H]1O 19885a1aa16bd97729c264da10a808d3 [0,1,0,1,0,0|2,0,0]=4 18899 B11R1.190 CCOCCN[C@H]1CC[C@@H]1O b5e8bc658eab308a0f31ce6a466fd6d7 [0,1,0,1,0,0|2,0,0]=4 18900 B11R1.190 CCOCCN[C@H]1CC[C@H]1C 36ccc8c9cea2fed5b7601483e25fe26f [0,1,0,1,0,0|1,0,0]=3 18901 B11R1.190 CCOCCN[C@H]1CC[C@H]1O db6ad1f5f8bcb2f042fe484cbae3475a [0,1,0,1,0,0|2,0,0]=4 18902 B11R1.190 CCOCCOC1CCC1=O 9136854ec08833177fa127fa4aa2a799 [0,1,0,1,0,0|1,0,1]=4 18903 B11R1.190 CCOCCOC1COC1C 704f8366ab8318388d41fdbb436358d9 [0,1,0,1,0,0|1,0,0]=3 18904 B11R1.190 CCOCNCC1CCN1C ae1f8a21ab7e72338c9ca4b3f9224d84 [0,1,0,1,0,0|2,0,0]=4 18905 B11R1.190 CCOCOCC1CCC1=O f53c8460eb6b25ff1818c8c816e0c07f [0,1,0,1,0,0|1,0,1]=4 18906 B11R1.190 CCOCOCC1CCC1F 48977be210d7b4917713fbc7b58d92b7 [0,1,0,1,0,0|1,0,0]=3 18907 B11R1.190 CCOCOCC1CCN1C 0fb536efa549eb4bbfa6e964f951591b [0,1,0,1,0,0|1,0,0]=3 18908 B11R1.190 CCOCOC[C@@H]1CCN1C 6241d28d3317dc8cb2f304a99715416b [0,1,0,1,0,0|1,0,0]=3 18909 B11R1.190 CCOCOC[C@H]1CCN1C 4b1983d0630a813e4bf15a1ccd8e6739 [0,1,0,1,0,0|1,0,0]=3 18910 B11R1.190 CCSCCNC1CCC1F 23ef40f8962759b67fc8201f530d1dc0 [0,1,0,1,0,0|2,0,0]=4 18911 B11R1.190 CCSCCNC1CCC1O b5da4f89bfb7e96826030cf572c5bd00 [0,1,0,1,0,0|2,0,0]=4 18912 B11R1.190 CCSCCNC1COC1C 5e2609d751a850a9d88ca314ae2dc2c6 [0,1,0,1,0,0|2,0,0]=4 18913 B11R1.190 CCSCCN[C@@H]1CC[C@@H]1O 03b7ee50a2e77e424906524293032c23 [0,1,0,1,0,0|2,0,0]=4 18914 B11R1.190 CCSCCN[C@@H]1CC[C@H]1C bcf639639fb1c5088cfd22484bb8e8a0 [0,1,0,1,0,0|1,0,0]=3 18915 B11R1.190 CCSCCN[C@@H]1CC[C@H]1O 353b8ca7e3c3afc4992556d718aea45c [0,1,0,1,0,0|2,0,0]=4 18916 B11R1.190 CCSCCN[C@H]1CC[C@@H]1O 956be0e55a58973d1ca526dee0b9e479 [0,1,0,1,0,0|2,0,0]=4 18917 B11R1.190 CCSCCN[C@H]1CC[C@H]1C 2c9bbae2dd8fa39064c087574f90d30f [0,1,0,1,0,0|1,0,0]=3 18918 B11R1.190 CCSCCN[C@H]1CC[C@H]1O b42475c93ce402c6b078d5af8a989387 [0,1,0,1,0,0|2,0,0]=4 18919 B11R1.190 CCSCCOC1COC1C 5b871fb6b7d5aa149759364987a77093 [0,1,0,1,0,0|1,0,0]=3 18920 B11R1.190 CN1CCC1CNCCCF 59e63ed3965b52668002f630219ebcd4 [0,1,0,1,0,0|2,0,0]=4 18921 B11R1.190 CN1CCC1CNCCCO a018078d54f2080aec1d0e0a895c42b5 [0,1,0,1,0,0|2,0,0]=4 18922 B11R1.190 CN1CCC1CNCCCS 14c28eeeb372374d11257838c5b5459b [0,1,0,1,0,0|2,0,0]=4 18923 B11R1.190 CN1CCC1COCCC#N 7f960876216dfb2752d69cbec6f8ebad [0,1,0,1,0,0|1,0,1]=4 18924 B11R1.190 CN1CCC1COCCC=O 2fa61bca1ca0aa3e3ef0e55df66e7183 [0,1,0,1,0,0|1,0,1]=4 18925 B11R1.190 CN1CCC1COCCCF 1e9acffc7e4881c81d8d83243ffa572a [0,1,0,1,0,0|1,0,0]=3 18926 B11R1.190 CN1CCC1COCCCS 0f1f8f3116a226f1798a63718649a4d8 [0,1,0,1,0,0|1,0,0]=3 18927 B11R1.190 CN1CC[C@@H]1COCCC#N 5fcbb6c754786fb18fb034dd30f2c29c [0,1,0,1,0,0|1,0,1]=4 18928 B11R1.190 CN1CC[C@@H]1COCCC=O 7492f97b2e7e355214b2052b325cfb04 [0,1,0,1,0,0|1,0,1]=4 18929 B11R1.190 CN1CC[C@@H]1COCCCF 738183b9791b00ba981702bc257e2cf2 [0,1,0,1,0,0|1,0,0]=3 18930 B11R1.190 CN1CC[C@@H]1COCCCS 0976ea49d55cdb4d61b015a44343c53e [0,1,0,1,0,0|1,0,0]=3 18931 B11R1.190 CN1CC[C@H]1COCCC#N ded6d3249a3c82e4e1380421a8100d0e [0,1,0,1,0,0|1,0,1]=4 18932 B11R1.190 CN1CC[C@H]1COCCC=O 6542849314f99f1fdeccbaa426973761 [0,1,0,1,0,0|1,0,1]=4 18933 B11R1.190 CN1CC[C@H]1COCCCF a62fe5adf095c340561e4af248539efd [0,1,0,1,0,0|1,0,0]=3 18934 B11R1.190 CN1CC[C@H]1COCCCS 19e798fa7ee5dbb3d180d2895513633f [0,1,0,1,0,0|1,0,0]=3 18935 B11R1.190 COCCCNC1CCC1F 736513f52d45ce51571e9db223c8442d [0,1,0,1,0,0|2,0,0]=4 18936 B11R1.190 COCCCNC1CCC1O 095285c26f97e7ac8f4f8db049b9c789 [0,1,0,1,0,0|2,0,0]=4 18937 B11R1.190 COCCCNC1COC1C bdb62373ed429cf75303b07ed8185702 [0,1,0,1,0,0|2,0,0]=4 18938 B11R1.190 COCCCN[C@@H]1CC[C@@H]1O 67e2f9284a43922bd9364245d5928348 [0,1,0,1,0,0|2,0,0]=4 18939 B11R1.190 COCCCN[C@@H]1CC[C@H]1C 826b3e57120693f986adb89e6cc0991f [0,1,0,1,0,0|1,0,0]=3 18940 B11R1.190 COCCCN[C@@H]1CC[C@H]1O 046177c2a5259ec713a6ea103c25597a [0,1,0,1,0,0|2,0,0]=4 18941 B11R1.190 COCCCN[C@H]1CC[C@@H]1O e599502f914828e9108f42cc892f3954 [0,1,0,1,0,0|2,0,0]=4 18942 B11R1.190 COCCCN[C@H]1CC[C@H]1C 3f223401a883ce99a1cd2fe9e324b427 [0,1,0,1,0,0|1,0,0]=3 18943 B11R1.190 COCCCN[C@H]1CC[C@H]1O 69cd296efbf0928bd2fb588d6020e25a [0,1,0,1,0,0|2,0,0]=4 18944 B11R1.190 COCCCOC1CCC1=O b683bbdc6207d6816a13aff8dd0133aa [0,1,0,1,0,0|1,0,1]=4 18945 B11R1.190 COCCCOC1COC1C d402193edfbb9717c24da4837d20b5d8 [0,1,0,1,0,0|1,0,0]=3 18946 B11R1.190 COCCNCC1CCN1C 2d990d16420ca9eaeb886e8828b6f835 [0,1,0,1,0,0|2,0,0]=4 18947 B11R1.190 COCCOCC1CCC1=O 83ef431e03edb21df4a38571be327942 [0,1,0,1,0,0|1,0,1]=4 18948 B11R1.190 COCCOCC1CCC1F 19903a1012477146ac8b9bd3508930c8 [0,1,0,1,0,0|1,0,0]=3 18949 B11R1.190 COCCOCC1CCN1C 4b5c9e4a739cb47eb4daade6a42b3d4b [0,1,0,1,0,0|1,0,0]=3 18950 B11R1.190 COCCOC[C@@H]1CCN1C afa80d83af14884285a7871fe56d2fc4 [0,1,0,1,0,0|1,0,0]=3 18951 B11R1.190 COCCOC[C@H]1CCN1C 0f1f38739e737cf84fcfe1285d14bfaf [0,1,0,1,0,0|1,0,0]=3 18952 B11R1.190 CSCCCNC1CCC1F cc857efe61b8e182e4af81d764751113 [0,1,0,1,0,0|2,0,0]=4 18953 B11R1.190 CSCCCNC1CCC1O 8f720d7f95e9aca2ab3d0aa7bd56e81a [0,1,0,1,0,0|2,0,0]=4 18954 B11R1.190 CSCCCNC1COC1C 4ff4519148914c5fb315cd63ad6570a3 [0,1,0,1,0,0|2,0,0]=4 18955 B11R1.190 CSCCCN[C@@H]1CC[C@@H]1O 125233f6d67f5f81560b5921410b28e2 [0,1,0,1,0,0|2,0,0]=4 18956 B11R1.190 CSCCCN[C@@H]1CC[C@H]1C 9b2ce1325def3cd8b0c20af467c148b0 [0,1,0,1,0,0|1,0,0]=3 18957 B11R1.190 CSCCCN[C@@H]1CC[C@H]1O d4ca26b298458188ab75a890f7fdde03 [0,1,0,1,0,0|2,0,0]=4 18958 B11R1.190 CSCCCN[C@H]1CC[C@@H]1O 5de2b3ad49523d1e7bd903a022b47c8e [0,1,0,1,0,0|2,0,0]=4 18959 B11R1.190 CSCCCN[C@H]1CC[C@H]1C 97fb8ea0d29def8c1641dd83258af688 [0,1,0,1,0,0|1,0,0]=3 18960 B11R1.190 CSCCCN[C@H]1CC[C@H]1O 3e70414eb2fc9a5ddcdf319a511a1fb5 [0,1,0,1,0,0|2,0,0]=4 18961 B11R1.190 CSCCCOC1CCC1=O 9895e7ca2b94a791cf25fad52d0b8ae5 [0,1,0,1,0,0|1,0,1]=4 18962 B11R1.190 CSCCCOC1COC1C 395aca52c2bb04725bbf3a652f92e7b8 [0,1,0,1,0,0|1,0,0]=3 18963 B11R1.190 CSCCNCC1CCN1C 585947343fd132eaa38e0877a407943c [0,1,0,1,0,0|2,0,0]=4 18964 B11R1.190 CSCCOCC1CCC1=O 57c90a796cdf01bd09e2c3128549fb8e [0,1,0,1,0,0|1,0,1]=4 18965 B11R1.190 CSCCOCC1CCC1F a3512ba18c007bf0c2ee438445cf5fbc [0,1,0,1,0,0|1,0,0]=3 18966 B11R1.190 CSCCOCC1CCN1C 0c34ad0f9a673f71fda9e3f428b3397a [0,1,0,1,0,0|1,0,0]=3 18967 B11R1.190 CSCCOC[C@@H]1CCN1C 0ed360c4f0eab105a7111a4a5ef517ba [0,1,0,1,0,0|1,0,0]=3 18968 B11R1.190 CSCCOC[C@H]1CCN1C e634e85c629ac5578aa94a8bfcaec720 [0,1,0,1,0,0|1,0,0]=3 18969 B11R1.190 C[C@@H]1CC[C@@H]1NCCCC#N cb77063383acda59a519455e9d5326a2 [0,1,0,1,0,0|1,0,1]=4 18970 B11R1.190 C[C@@H]1CC[C@@H]1NCCCC=O c00f04897dfa6b9e414cff55ce91c97e [0,1,0,1,0,0|1,0,1]=4 18971 B11R1.190 C[C@@H]1CC[C@@H]1NCCCCF 16dce8f512c64f41f6ee76e79a1bff6c [0,1,0,1,0,0|1,0,0]=3 18972 B11R1.190 C[C@@H]1CC[C@@H]1NCCCCO c2c4c81afcf85f006543b04a37b79bd9 [0,1,0,1,0,0|1,0,0]=3 18973 B11R1.190 C[C@@H]1CC[C@H]1NCCCC#N ecdeed56455c0c46421c03fa9783d74b [0,1,0,1,0,0|1,0,1]=4 18974 B11R1.190 C[C@@H]1CC[C@H]1NCCCC=O 31d6637fdbd24ed6678ad0bb37f0d9bd [0,1,0,1,0,0|1,0,1]=4 18975 B11R1.190 C[C@@H]1CC[C@H]1NCCCCF be98bc6df968f8eeca5535b6e1a13330 [0,1,0,1,0,0|1,0,0]=3 18976 B11R1.190 C[C@@H]1CC[C@H]1NCCCCO a770862bc7b5c32bf6b9dd31ff6f528b [0,1,0,1,0,0|1,0,0]=3 18977 B11R1.190 FC1CCC1COCCCS e1e729a56ea509347146453f61a3edb2 [0,1,0,1,0,0|1,0,0]=3 18978 B11R1.190 FCCCCNC1CCC1F 8e4432a18c8ed643e411debe59b60dde [0,1,0,1,0,0|2,0,0]=4 18979 B11R1.190 FCCCOCC1CCC1F 855d5ee58a9d006fba4a25042e64f379 [0,1,0,1,0,0|1,0,0]=3 18980 B11R1.190 N#CCCOCC1CCC1F 43a44da2e5a05acc706a884a60cc1282 [0,1,0,1,0,0|1,0,1]=4 18981 B11R1.190 O=C1CCC1COCCCF 86d707a4f69a58fa0a1332d40241c258 [0,1,0,1,0,0|1,0,1]=4 18982 B11R1.190 O=C1CCC1COCCCS e09c87926fde94388c5c8785bd8427b8 [0,1,0,1,0,0|1,0,1]=4 18983 B11R1.190 O=C1CCC1OCCCCF eb69f1bbded7f33690ff8622792f1a92 [0,1,0,1,0,0|1,0,1]=4 18984 B11R1.190 O=CCCOCC1CCC1F 2c9f9d438e2f852b5096fa4ca79faa83 [0,1,0,1,0,0|1,0,1]=4 18985 B11R1.190 OC1CCC1NCCCCF ba7aa6a0f9264dcace9d393dc2797e4a [0,1,0,1,0,0|2,0,0]=4 18986 B11R1.190 OCCCCNC1CCC1F a5d9ff4e2b2a6e8378487e4f9270109c [0,1,0,1,0,0|2,0,0]=4 18987 B11R1.190 OCCCCNC1CCC1O 64d8235aab4476b9671dcf52ed1c172e [0,1,0,1,0,0|2,0,0]=4 18988 B11R1.190 OCCCCN[C@@H]1CC[C@@H]1O 13bd1e0e209b16e3063ec805208c38fc [0,1,0,1,0,0|2,0,0]=4 18989 B11R1.190 OCCCCN[C@@H]1CC[C@H]1O 7a4ba4aa9658c1afa13780657f096367 [0,1,0,1,0,0|2,0,0]=4 18990 B11R1.190 OCCCCN[C@H]1CC[C@@H]1O 208811e5675a1eaca802f97b83fdb19e [0,1,0,1,0,0|2,0,0]=4 18991 B11R1.190 OCCCCN[C@H]1CC[C@H]1O dffa24fcfbc283facf1b084e166da9c0 [0,1,0,1,0,0|2,0,0]=4 18992 B11R1.190 O[C@@H]1CC[C@@H]1NCCCCF aa099edae22aac90041fa6b9f6c9ae47 [0,1,0,1,0,0|2,0,0]=4 18993 B11R1.190 O[C@@H]1CC[C@H]1NCCCCF aae6d18bed42683e53ab59fc742658ca [0,1,0,1,0,0|2,0,0]=4 18994 B11R1.190 O[C@H]1CC[C@@H]1NCCCCF 79083ad6aec069000995b4afc25dbb7d [0,1,0,1,0,0|2,0,0]=4 18995 B11R1.190 O[C@H]1CC[C@H]1NCCCCF f89379a99d7024ad1c63ae39a9ea7579 [0,1,0,1,0,0|2,0,0]=4 18996 B11R1.203 BrCCNC1CCCCCC1 ae90443e89339ced20423fff423e45af [0,1,0,1,0,0|2,0,0]=4 18997 B11R1.203 CCCCN1CCCCCC1 efa7754fb7e0af662a839d9bbcf60db4 [0,1,0,1,0,0|1,0,0]=3 18998 B11R1.203 CCCCN1CCCOCC1 19d0fd66efe6b0b2db8f039245a02376 [0,1,0,1,0,0|1,0,0]=3 18999 B11R1.203 CCCNC1CCCCCC1 be3afd6091ac207b6cf40b281273c757 [0,1,0,1,0,0|1,0,0]=3 19000 B11R1.203 CCCNC1CCCOCC1 d7a04daa48d12eea8d4a8374a1ad7adc [0,1,0,1,0,0|2,0,0]=4 19001 B11R1.203 CCCOC1CCCCCC1 a0d3b974b653d57eb78c12eb297baa1e [0,1,0,1,0,0|1,0,0]=3 19002 B11R1.203 CCCOC1CCCOCC1 e6ba70a1eee68a270651209b5c88918d [0,1,0,1,0,0|2,0,0]=4 19003 B11R1.203 CCCOC1COCCOC1 deb4f98a8e7241370a5bd6b2a864214b [0,1,0,1,0,0|1,0,0]=3 19004 B11R1.203 CCNCC1CCCCCC1 1aa480dec958b76c9e0d1e012a7b0c7e [0,1,0,1,0,0|1,0,0]=3 19005 B11R1.203 CCOCC1CCCCCC1 01b51887c2e87b16f92024e3ab52aa12 [0,1,0,1,0,0|1,0,0]=3 19006 B11R1.203 CCOCC1COCCOC1 6ff58c75f08603e21f8b26c23eb2add2 [0,1,0,1,0,0|1,0,0]=3 19007 B11R1.203 CCOCN1CCCCCC1 77048636f84233a3974266d958aff3ff [0,1,0,1,0,0|2,0,0]=4 19008 B11R1.203 CCOCN1CCCOCC1 8ed967cb4fe78e0071e7b7f9a9fdce68 [0,1,0,1,0,0|2,0,0]=4 19009 B11R1.203 COCCN1CCCCCC1 3dad7161692272ba66df5a2a0151998c [0,1,0,1,0,0|2,0,0]=4 19010 B11R1.203 COCCN1CCCOCC1 d0cd0a4b8df16eab58c8faad996191ef [0,1,0,1,0,0|2,0,0]=4 19011 B11R1.203 COCNC1CCCCCC1 b53fc949bfa9200dcabd9c186f6cee1b [0,1,0,1,0,0|2,0,0]=4 19012 B11R1.203 COCOC1CCCCCC1 c669f7add16d44cc1d0541c9bd6617f7 [0,1,0,1,0,0|2,0,0]=4 19013 B11R1.203 COCOC1COCCOC1 2e9fb8cda172a369983609f16dec757d [0,1,0,1,0,0|2,0,0]=4 19014 B11R1.203 CSCCN1CCCCCC1 5085844863e997aca09c0ca620bf2431 [0,1,0,1,0,0|2,0,0]=4 19015 B11R1.203 CSCCN1CCCOCC1 6bd95dbeb82d4184b69eba056e39305f [0,1,0,1,0,0|2,0,0]=4 19016 B11R1.203 CSCNC1CCCCCC1 335e9ecfeb1a192cc410ee1640570a5e [0,1,0,1,0,0|2,0,0]=4 19017 B11R1.203 CSCOC1CCCCCC1 90eec6a2a8287bbaa85dcf4e8ba247e3 [0,1,0,1,0,0|2,0,0]=4 19018 B11R1.203 CSCOC1COCCOC1 6d4b48ad57be1ed607284d846abb3db5 [0,1,0,1,0,0|2,0,0]=4 19019 B11R1.203 FCCCN1CCCCCC1 286aa5f65f2356d25aa5f8717fd29819 [0,1,0,1,0,0|2,0,0]=4 19020 B11R1.203 FCCCN1CCCOCC1 9d1705433a778058d7b003ad962c22ae [0,1,0,1,0,0|2,0,0]=4 19021 B11R1.203 FCCNC1CCCCCC1 0ec892e340700017c8b0f151d96ecf76 [0,1,0,1,0,0|2,0,0]=4 19022 B11R1.203 FCCOC1CCCCCC1 7a234923a4de254fa31b1ac546f7c56f [0,1,0,1,0,0|2,0,0]=4 19023 B11R1.203 FCCOC1COCCOC1 ffb700be143c605e87a29e67c1be8a65 [0,1,0,1,0,0|2,0,0]=4 19024 B11R1.203 FCNCC1CCCCCC1 6b0a864b08319c0eb2cd929ab72f5c9a [0,1,0,1,0,0|2,0,0]=4 19025 B11R1.203 FCOCC1CCCCCC1 180d24b69547b24cf74154898667164f [0,1,0,1,0,0|2,0,0]=4 19026 B11R1.203 FCOCC1COCCOC1 c8e3852cc001905443e6336060cc6372 [0,1,0,1,0,0|2,0,0]=4 19027 B11R1.203 ICCNC1CCCCCC1 cedf21d151d665c616dac62990c7c7df [0,1,0,1,0,0|2,0,0]=4 19028 B11R1.203 OCCCN1CCCCCC1 7f2d557aa733fe77dff5c07ecf424d3d [0,1,0,1,0,0|2,0,0]=4 19029 B11R1.203 OCCCN1CCCOCC1 2e324c5015d8d8250de47215d420842d [0,1,0,1,0,0|2,0,0]=4 19030 B11R1.203 OCCNC1CCCCCC1 c34d7831eecf639a92fdf0e477751492 [0,1,0,1,0,0|2,0,0]=4 19031 B11R1.203 OCNCC1CCCCCC1 e9833a8d1bf4aa3da84560a76f5e3a41 [0,1,0,1,0,0|2,0,0]=4 19032 B11R1.203 SCCCN1CCCCCC1 796211e099c2c8dd18076af50beb69b0 [0,1,0,1,0,0|2,0,0]=4 19033 B11R1.203 SCCCN1CCCOCC1 77c3108e3762bdd49994d882e949b8e5 [0,1,0,1,0,0|2,0,0]=4 19034 B11R1.203 SCCNC1CCCCCC1 8f2f93f10cc68a000bb25c717544bf7f [0,1,0,1,0,0|2,0,0]=4 19035 B11R1.203 SCCOC1CCCCCC1 75478865fa94ff788ac8d34e86861fcf [0,1,0,1,0,0|2,0,0]=4 19036 B11R1.203 SCCOC1COCCOC1 11d447cce48f7c8664c5fd57967dd6a9 [0,1,0,1,0,0|2,0,0]=4 19037 B11R1.232 CCCCN1CCC1CCO cf9681096b6146bae176348e6db94d0e [0,1,0,1,0,0|1,0,0]=3 19038 B11R1.232 CCCCN1CCC1COC f8113ba5b9860b2308ca20cdeb064fd9 [0,1,0,1,0,0|1,0,0]=3 19039 B11R1.232 CCCCN1CC[C@@H]1COC ef56a20b5f3427cdb33f97a35fc8482e [0,1,0,1,0,0|1,0,0]=3 19040 B11R1.232 CCCCN1CC[C@H]1COC 8e610828e0c6117889dc3e7da9a6db3a [0,1,0,1,0,0|1,0,0]=3 19041 B11R1.232 CCOCN1CCC1CCO 3183dc10af0495891db972029c74f643 [0,1,0,1,0,0|2,0,0]=4 19042 B11R1.232 CCOCN1CCC1COC dd72c1b6a5f1969a178369e29c4af84c [0,1,0,1,0,0|2,0,0]=4 19043 B11R1.232 CCOCN1CC[C@@H]1COC eaab8c4a74ec3a7b063387ec6e5288b0 [0,1,0,1,0,0|2,0,0]=4 19044 B11R1.232 CCOCN1CC[C@H]1COC 41fa981d8681cffd3f83474f55d44696 [0,1,0,1,0,0|2,0,0]=4 19045 B11R1.232 COCC1CCN1CCCF e23775cb79980dc9849ebc4e6d4f033c [0,1,0,1,0,0|2,0,0]=4 19046 B11R1.232 COCC1CCN1CCCO 27c786ae462c78957e953f3db3df2e0e [0,1,0,1,0,0|2,0,0]=4 19047 B11R1.232 COCC1CCN1CCCS 18b648d855232d3ea90629027976cbcf [0,1,0,1,0,0|2,0,0]=4 19048 B11R1.232 COCC1CCN1CCSC a58d3b12323fda89cf0c85fbfea4c81f [0,1,0,1,0,0|2,0,0]=4 19049 B11R1.232 COCCN1CCC1CCO 5d1cc46a80c71547c5db13caf43a7556 [0,1,0,1,0,0|2,0,0]=4 19050 B11R1.232 COCCN1CCC1COC 7a533d1acd2e0f53f91d71723fa49656 [0,1,0,1,0,0|2,0,0]=4 19051 B11R1.232 COCCN1CC[C@@H]1COC 6f4f1fa3d56a41ae1f92ef7ebd9987ea [0,1,0,1,0,0|2,0,0]=4 19052 B11R1.232 COCCN1CC[C@H]1COC 57ff5bcedd06b2707ad34ff4d859bc91 [0,1,0,1,0,0|2,0,0]=4 19053 B11R1.232 COC[C@@H]1CCN1CCCF 235433808cb308c39fe07ea5849bccdb [0,1,0,1,0,0|2,0,0]=4 19054 B11R1.232 COC[C@@H]1CCN1CCCO eecc6d018fa5ad50e8b96412c110711d [0,1,0,1,0,0|2,0,0]=4 19055 B11R1.232 COC[C@@H]1CCN1CCCS 995da0b39bf22933f61e53cf4eae2a11 [0,1,0,1,0,0|2,0,0]=4 19056 B11R1.232 COC[C@@H]1CCN1CCSC 2d382563fe280af641bec3aa28314095 [0,1,0,1,0,0|2,0,0]=4 19057 B11R1.232 COC[C@H]1CCN1CCCF 769738294d208815c581225b582bb55a [0,1,0,1,0,0|2,0,0]=4 19058 B11R1.232 COC[C@H]1CCN1CCCO 47008a6c9d2f1fcc8652eaae22b234ea [0,1,0,1,0,0|2,0,0]=4 19059 B11R1.232 COC[C@H]1CCN1CCCS 93ce1cf8b19e9a6ff8b522417a4352f0 [0,1,0,1,0,0|2,0,0]=4 19060 B11R1.232 COC[C@H]1CCN1CCSC 4c173984a4ad61cbb6d2acad9e70e488 [0,1,0,1,0,0|2,0,0]=4 19061 B11R1.232 CSCCN1CCC1CCO 988fdc18eec652be49854dc9f9a484a5 [0,1,0,1,0,0|2,0,0]=4 19062 B11R1.232 OCCC1CCN1CCCF 5b06945efe7d39a1c707c8ffadabf1e7 [0,1,0,1,0,0|2,0,0]=4 19063 B11R1.232 OCCC1CCN1CCCS 318f3c89da5970551e6abe00d5a647c8 [0,1,0,1,0,0|2,0,0]=4 19064 B11R1.232 OCCCN1CCC1CCO bffd62dc55e8861ab618ddac7b58ac9c [0,1,0,1,0,0|2,0,0]=4 19065 B11R1.248 CCN1CCCCCCCC1 74e8e77a0fa5757a1cb015979f1ae5bd [0,1,0,1,0,0|1,0,0]=3 19066 B11R1.248 FCN1CCCCCCCC1 d12c1c9053a2b8e6a830250dbbb63442 [0,1,0,1,0,0|2,0,0]=4 19067 B11R1.248 OCN1CCCCCCCC1 34093a305ba2dc113fc49a0d96d53af5 [0,1,0,1,0,0|2,0,0]=4 19068 B11R1.1 CC1CCN(CC1)CCCF 45a099cef6f71dd1b1136e5976f29b74 [0,1,0,1,0,0|2,0,0]=4 19069 B11R1.1 CC1CCN(CC1)CCCO 948c033d7c906af4d896794e660fb843 [0,1,0,1,0,0|2,0,0]=4 19070 B11R1.1 CC1CCN(CC1)CCCS 755d5764969e7e12c66f169cf3fa1e92 [0,1,0,1,0,0|2,0,0]=4 19071 B11R1.1 CCCCN1CCC(CC1)C 6258d6ef149b21ee0260c38d42c8ce1b [0,1,0,1,0,0|1,0,0]=3 19072 B11R1.1 CCCCN1CCC(CC1)Cl d411e0eca9d41205e82879235c71f9ea [0,1,0,1,0,0|1,0,0]=3 19073 B11R1.1 CCCCN1CCC(CC1)F cd18d038fc40ff2f937a6f63b5f58b74 [0,1,0,1,0,0|1,0,0]=3 19074 B11R1.1 CCCCN1CCC(CC1)I b24b91eb49760496bcd62e7ef6b323e4 [0,1,0,1,0,0|1,0,0]=3 19075 B11R1.1 CCCCN1CCC(CC1)O d6038dcab51cf70ea24655cdf34f7d7e [0,1,0,1,0,0|1,0,0]=3 19076 B11R1.1 CCCCN1CCN(CC1)C a55abdf01e5555ed5b80be9a3010f11b [0,1,0,1,0,0|2,0,0]=4 19077 B11R1.1 CCCNC1CCC(CC1)C a3b7455b84039578dbc0450a76dec347 [0,1,0,1,0,0|2,0,0]=4 19078 B11R1.1 CCCNC1CCC(CC1)Cl fdccb46549cd6d90121f4d80506e5e6a [0,1,0,1,0,0|2,0,0]=4 19079 B11R1.1 CCCNC1CCC(CC1)O e698aee39f806da5d0374eb34150b8ea [0,1,0,1,0,0|2,0,0]=4 19080 B11R1.1 CCCN[C@H]1CC[C@@H](CC1)C 9715ab2a580769652f6323e774ce9623 [0,1,0,1,0,0|2,0,0]=4 19081 B11R1.1 CCCN[C@H]1CC[C@@H](CC1)Cl 32fa2c8335014fa5abd1dc1148636aaf [0,1,0,1,0,0|2,0,0]=4 19082 B11R1.1 CCCN[C@H]1CC[C@@H](CC1)O 65efa549763897938a22579bca50407e [0,1,0,1,0,0|2,0,0]=4 19083 B11R1.1 CCCN[C@H]1CC[C@H](CC1)C 05ba719679c5a48397bbf527dc23c55c [0,1,0,1,0,0|2,0,0]=4 19084 B11R1.1 CCCN[C@H]1CC[C@H](CC1)Cl 3755b153905d48ff8104f45eafbb8ca7 [0,1,0,1,0,0|2,0,0]=4 19085 B11R1.1 CCCN[C@H]1CC[C@H](CC1)O 805c86d195a250bd19c5044cda6cf890 [0,1,0,1,0,0|2,0,0]=4 19086 B11R1.1 CCCOC1CCC(CC1)C 7a9689dd98aa4f92d8f5043f1b15a983 [0,1,0,1,0,0|2,0,0]=4 19087 B11R1.1 CCCOC1CCC(CC1)F 5492765cb272ae15f43940e3f2e983f3 [0,1,0,1,0,0|2,0,0]=4 19088 B11R1.1 CCCO[C@H]1CC[C@@H](CC1)C 63f78b25b14708866f991f61dafeaa8d [0,1,0,1,0,0|2,0,0]=4 19089 B11R1.1 CCCO[C@H]1CC[C@H](CC1)C effb30eda82162f702b9f3fc5c106b18 [0,1,0,1,0,0|2,0,0]=4 19090 B11R1.1 CCNCC1CCC(CC1)C f7ed57a3ae2a1a5c8de5aaf4b1a475f2 [0,1,0,1,0,0|2,0,0]=4 19091 B11R1.1 CCNCC1CCC(CC1)Cl 5d33466a7b7e4187f21010b9ef66b232 [0,1,0,1,0,0|2,0,0]=4 19092 B11R1.1 CCNCC1CCC(CC1)O 3595031993098976c3a6e89b97c92bbf [0,1,0,1,0,0|2,0,0]=4 19093 B11R1.1 CCNC[C@H]1CC[C@@H](CC1)F 579c39b92cb26b9f8ce0ff9254c485e0 [0,1,0,1,0,0|2,0,0]=4 19094 B11R1.1 CCNC[C@H]1CC[C@@H](CC1)O e5712e5199b11333eeb78758c1d17d41 [0,1,0,1,0,0|2,0,0]=4 19095 B11R1.1 CCNC[C@H]1CC[C@H](CC1)F 06bafd6f373d07c7b14fd1da46e2b48a [0,1,0,1,0,0|2,0,0]=4 19096 B11R1.1 CCOCC1CCC(CC1)C c51abc060b6548b39618627130923e28 [0,1,0,1,0,0|2,0,0]=4 19097 B11R1.1 CCOCN1CCC(CC1)C bb0c07ab719c9214187e62875c24c42d [0,1,0,1,0,0|2,0,0]=4 19098 B11R1.1 CCOCN1CCC(CC1)Cl 1d3d45269c78057b8bdc93a88ba47f94 [0,1,0,1,0,0|2,0,0]=4 19099 B11R1.1 CCOCN1CCC(CC1)F 5b1ff8d13b13c7a2dbbb11377ffa4e09 [0,1,0,1,0,0|2,0,0]=4 19100 B11R1.1 CCOCN1CCC(CC1)I 5cd5c79223d1fabe05c4d97734d7392b [0,1,0,1,0,0|2,0,0]=4 19101 B11R1.1 CCOCN1CCC(CC1)O f4b826d9a4d2252d5fc6569065876ba7 [0,1,0,1,0,0|2,0,0]=4 19102 B11R1.1 CCOC[C@H]1CC[C@@H](CC1)C 447d65990e933e27973675b6f4d63d93 [0,1,0,1,0,0|2,0,0]=4 19103 B11R1.1 CCOC[C@H]1CC[C@H](CC1)C dca432ad3524dc848cfaf2383ff946e5 [0,1,0,1,0,0|2,0,0]=4 19104 B11R1.1 COCCN1CCC(CC1)C 15a58bab9d418b637d81b3b452e64e4f [0,1,0,1,0,0|2,0,0]=4 19105 B11R1.1 COCCN1CCC(CC1)Cl c73e07e6277d100573a7ac98d57e5f54 [0,1,0,1,0,0|2,0,0]=4 19106 B11R1.1 COCCN1CCC(CC1)F 37a56aa2c4412b9c4d980df48759da05 [0,1,0,1,0,0|2,0,0]=4 19107 B11R1.1 COCCN1CCC(CC1)I c22036427bf799e26308b2bfae0a4324 [0,1,0,1,0,0|2,0,0]=4 19108 B11R1.1 COCCN1CCC(CC1)O ef4b56bdf60911f4ec9d182688f9bd83 [0,1,0,1,0,0|2,0,0]=4 19109 B11R1.1 CSCCN1CCC(CC1)C 36fff65e29c5063abb0c3212eb4d0e16 [0,1,0,1,0,0|2,0,0]=4 19110 B11R1.1 CSCCN1CCC(CC1)Cl c0c1f5e63aef00761315ac80804060af [0,1,0,1,0,0|2,0,0]=4 19111 B11R1.1 CSCCN1CCC(CC1)F 4a6beecf3acb2d66f75ea8e148c6f995 [0,1,0,1,0,0|2,0,0]=4 19112 B11R1.1 CSCCN1CCC(CC1)I 92ae84f692b1adc993618116257ec2ee [0,1,0,1,0,0|2,0,0]=4 19113 B11R1.1 CSCCN1CCC(CC1)O ebcb878c264315ff04de19f38f83c769 [0,1,0,1,0,0|2,0,0]=4 19114 B11R1.1 FC1CCN(CC1)CCCS 0f71e2b6b4f04b66eb26887e8cd39db2 [0,1,0,1,0,0|2,0,0]=4 19115 B11R1.1 FCCCN1CCC(CC1)Cl b52b6c4f344cc4b82e50c9bf10a74eea [0,1,0,1,0,0|2,0,0]=4 19116 B11R1.1 FCCCN1CCC(CC1)F bffe5b58d47dc07a53fa4eed406f6652 [0,1,0,1,0,0|2,0,0]=4 19117 B11R1.1 FCCCN1CCC(CC1)I 21eea7dca13935f7b983f7b12deaabba [0,1,0,1,0,0|2,0,0]=4 19118 B11R1.1 OC1CCN(CC1)CCCF 7bb76e46d28416d3e1789f982d4251e8 [0,1,0,1,0,0|2,0,0]=4 19119 B11R1.1 OC1CCN(CC1)CCCS 93fae011ce2160c6a13beff8dc0aef72 [0,1,0,1,0,0|2,0,0]=4 19120 B11R1.1 OCCCN1CCC(CC1)Cl 73a7bc20a231c2046dd70290abae0785 [0,1,0,1,0,0|2,0,0]=4 19121 B11R1.1 OCCCN1CCC(CC1)F d45665afd19c20e82aaebaf30985f467 [0,1,0,1,0,0|2,0,0]=4 19122 B11R1.1 OCCCN1CCC(CC1)I 0a53d832c2b7ac4e8aecc1ce2f9cf695 [0,1,0,1,0,0|2,0,0]=4 19123 B11R1.1 OCCCN1CCC(CC1)O 615a409c71303ef6a29e55374b2833b4 [0,1,0,1,0,0|2,0,0]=4 19124 B11R1.1 SCCCN1CCC(CC1)Cl ee8874388bdb4f79879b57b80a3ec8e8 [0,1,0,1,0,0|2,0,0]=4 19125 B11R1.1 SCCCN1CCC(CC1)I 23e86704fe714d57b2bceabb35cab800 [0,1,0,1,0,0|2,0,0]=4 19126 B11R1.13 CCCN1CCCC(C1C)O e7b7fd6b5f75b323faaf2e2f4481071a [0,1,0,1,0,0|2,0,0]=4 19127 B11R1.13 CCCN1CCC[C@@H]([C@H]1C)O 5a55cee483da6db93503ccdd64f7d198 [0,1,0,1,0,0|2,0,0]=4 19128 B11R1.13 CCCN1CCC[C@H]([C@@H]1C)O f8528f30e697de3ddb5f7f328ea6f525 [0,1,0,1,0,0|2,0,0]=4 19129 B11R1.13 CCNC1CCCC(C1C)C 67081faa8d6332e356fa5dcb73a807ed [0,1,0,1,0,0|2,0,0]=4 19130 B11R1.13 CCOC1CCCC(C1C)C 4098a7a3821b84edaba6a0d52db91b33 [0,1,0,1,0,0|2,0,0]=4 19131 B11R1.25 BrCC(Br)COC1CCCC1 0bb964023990d927aa532a70c797b54d [0,1,0,1,0,0|1,0,0]=3 19132 B11R1.25 C=C(CC)CNC1CCCC1 221d97b4c0b39397eae5f5941a05a155 [0,1,0,1,0,0|1,0,1]=4 19133 B11R1.25 C=C(CC)COC1CCCC1 3db826f633a8df150d084661c4ce66d2 [0,1,0,1,0,0|0,0,1]=3 19134 B11R1.25 C=C(CC)COC1CCCO1 c9b5c65ffef18801be17937055fbbc00 [0,1,0,1,0,0|1,0,1]=4 19135 B11R1.25 C=C(CC)COC1CCOC1 7e82141fb692a157a0a453cf2fab42bf [0,1,0,1,0,0|1,0,1]=4 19136 B11R1.25 C=C(CC)COC1CCSC1 dd2255e5d556258650b6996706d69a52 [0,1,0,1,0,0|1,0,1]=4 19137 B11R1.25 C=C(CC)CO[C@@H]1CCOC1 f34441c91bb27d88b0fe885019f3c34b [0,1,0,1,0,0|1,0,1]=4 19138 B11R1.25 C=C(CC)CO[C@@H]1CCSC1 e24f53673562f34420a472189e7885f6 [0,1,0,1,0,0|1,0,1]=4 19139 B11R1.25 C=C(CC)CO[C@H]1CCOC1 4c93cb46dfe8902425e50eaac713b871 [0,1,0,1,0,0|1,0,1]=4 19140 B11R1.25 C=C(CC)CO[C@H]1CCSC1 795f7e31938b3a3cc8bbe411455a6e82 [0,1,0,1,0,0|1,0,1]=4 19141 B11R1.25 C=C(COC1CCCC1)OC 4acd45025d09cd2f0357ccccef7743b9 [0,1,0,1,0,0|1,0,1]=4 19142 B11R1.25 C=CC(C)COC1CCCC1 4f1c24f6bc6c297668a0487ec1bfa0cb [0,1,0,1,0,0|0,0,2]=4 19143 B11R1.25 CC(C#N)COC1CCCC1 31c6ed9fba9332cad1204c108badd3cd [0,1,0,1,0,0|1,0,1]=4 19144 B11R1.25 CC(CO)CNC1CCCC1 5b61c81851902eb0fb67662fa6a13256 [0,1,0,1,0,0|2,0,0]=4 19145 B11R1.25 CCC(=O)CNC1CCCC1 76b45c3a0dd534705a0e971da9b0a719 [0,1,0,1,0,0|1,0,1]=4 19146 B11R1.25 CCC(=O)COC1CCCC1 f5592f3105f8177e7a774879be0a01c7 [0,1,0,1,0,0|0,0,1]=3 19147 B11R1.25 CCC(=O)COC1CCCO1 5a89521f5c9671ced4dc78eda7ee797c [0,1,0,1,0,0|1,0,1]=4 19148 B11R1.25 CCC(=O)COC1CCOC1 1e4817b6125006978f98978ab5934a8d [0,1,0,1,0,0|1,0,1]=4 19149 B11R1.25 CCC(=O)COC1CCSC1 9019a46df842aebf34a8e4ec7c90535f [0,1,0,1,0,0|1,0,1]=4 19150 B11R1.25 CCC(=O)CO[C@@H]1CCOC1 3f9d929c04975229f2e9f164e95124ff [0,1,0,1,0,0|1,0,1]=4 19151 B11R1.25 CCC(=O)CO[C@@H]1CCSC1 6e2acb89c3469fedd7061aae2cc8e91c [0,1,0,1,0,0|1,0,1]=4 19152 B11R1.25 CCC(=O)CO[C@H]1CCOC1 d5c1e605ecbd5e5be02da3f556c51bcf [0,1,0,1,0,0|1,0,1]=4 19153 B11R1.25 CCC(=O)CO[C@H]1CCSC1 aa8333bb82443c75d1121348e2e24fb1 [0,1,0,1,0,0|1,0,1]=4 19154 B11R1.25 CCC(C)CCN1CCSC1 df2823db3915e17cf05db2e762da8385 [0,1,0,1,0,0|2,0,0]=4 19155 B11R1.25 CCC(C)CNC1CCCC1 e35fbe1c87537d01ae255712bf1be86a [0,1,0,1,0,0|1,0,0]=3 19156 B11R1.25 CCC(C)CNC1CCOC1 379cbcb0af8f4a619e9de757d33cef21 [0,1,0,1,0,0|2,0,0]=4 19157 B11R1.25 CCC(C)CNC1CCSC1 923f65656611e4d23019f6249909d686 [0,1,0,1,0,0|2,0,0]=4 19158 B11R1.25 CCC(C)CN[C@@H]1CCOC1 22705572eb538fdc9ee689724991ab14 [0,1,0,1,0,0|2,0,0]=4 19159 B11R1.25 CCC(C)CN[C@H]1CCOC1 1103836627acc66557bea4b75f519d74 [0,1,0,1,0,0|2,0,0]=4 19160 B11R1.25 CCC(C)COC1C=CCC1 615ae8daac5f5cbcf1eced596c3f058f [0,1,0,1,0,0|0,0,2]=4 19161 B11R1.25 CCC(C)COC1CC=CC1 3e4c2a031a31defa2738dd0f5c57c159 [0,1,0,1,0,0|0,0,2]=4 19162 B11R1.25 CCC(C)COC1CCCC1 2c61bb6bfb508d4e2fc3f390f2dc6789 [0,1,0,1,0,0|0,0,0]=2 19163 B11R1.25 CCC(C)COC1CCCO1 8eddd58ba52bf906ef267dd68e62cf5f [0,1,0,1,0,0|1,0,0]=3 19164 B11R1.25 CCC(C)COC1CCOC1 e01692ecc2ba8de19f2105fe9b606c45 [0,1,0,1,0,0|1,0,0]=3 19165 B11R1.25 CCC(C)COC1CCSC1 1d713521cdcac698b456691a3884d117 [0,1,0,1,0,0|1,0,0]=3 19166 B11R1.25 CCC(C)CO[C@@H]1CCOC1 7a1da5328ef8518530219a938ec74418 [0,1,0,1,0,0|1,0,0]=3 19167 B11R1.25 CCC(C)CO[C@@H]1CCSC1 051e8fa17cba877341df59670492d726 [0,1,0,1,0,0|1,0,0]=3 19168 B11R1.25 CCC(C)CO[C@H]1CCOC1 f738957dd2e9860670b424153f52d31f [0,1,0,1,0,0|1,0,0]=3 19169 B11R1.25 CCC(C)CO[C@H]1CCSC1 0c22c2b722cd561f3e1f2702b60027bf [0,1,0,1,0,0|1,0,0]=3 19170 B11R1.25 CCC(C)NCC1CCCC1 c06a3a5583b028aeae26700575a134ae [0,1,0,1,0,0|2,0,0]=4 19171 B11R1.25 CCC(C)OCC1CCCC1 2f12543a32cb522b428f27964a4e9aef [0,1,0,1,0,0|2,0,0]=4 19172 B11R1.25 CCC(C)OCN1CCCC1 53bb80d9f4c4be9d06c5346802a39197 [0,1,0,1,0,0|2,0,0]=4 19173 B11R1.25 CCC(O)CNC1CCCC1 2c8c9d35bd13c1afea50d46a3a67960d [0,1,0,1,0,0|1,0,0]=3 19174 B11R1.25 CCC(O)CNC1CCOC1 b34f0c724d27b00fab517947e815a520 [0,1,0,1,0,0|2,0,0]=4 19175 B11R1.25 CCC(O)CNC1CCSC1 952300c796b593281995b4710764cbd7 [0,1,0,1,0,0|2,0,0]=4 19176 B11R1.25 CCC(O)CN[C@@H]1CCOC1 ef446649d19e5755108d616b90df7814 [0,1,0,1,0,0|2,0,0]=4 19177 B11R1.25 CCC(O)CN[C@H]1CCOC1 c1c2680c0d78b520d13d9d4414109a08 [0,1,0,1,0,0|2,0,0]=4 19178 B11R1.25 CCN(C)CCC1CCCC1 b93500d11a676ccdc22704cfefd4a70c [0,1,0,1,0,0|2,0,0]=4 19179 B11R1.25 CCN(C)CCN1CCCC1 5b68288526e3a4382a041bdfe187c4af [0,1,0,1,0,0|2,0,0]=4 19180 B11R1.25 CC[C@@H](C)CNC1CCCC1 18713b12e362c29b518f544e21c22515 [0,1,0,1,0,0|1,0,0]=3 19181 B11R1.25 CC[C@@H](C)CNC1CCOC1 f6bd8cf8349e106d400d3a4b20818598 [0,1,0,1,0,0|2,0,0]=4 19182 B11R1.25 CC[C@@H](C)CNC1CCSC1 72a6d2866827c06f408899e85fdfabe9 [0,1,0,1,0,0|2,0,0]=4 19183 B11R1.25 CC[C@@H](C)CN[C@@H]1CCOC1 d5b87c03a5c811659192af75bc71989e [0,1,0,1,0,0|2,0,0]=4 19184 B11R1.25 CC[C@@H](C)CN[C@H]1CCOC1 fdf20bbb63594b283b37c085d4ec2d34 [0,1,0,1,0,0|2,0,0]=4 19185 B11R1.25 CC[C@@H](C)COC1C=CCC1 7716fa62d591dd9897aad2d8b6197863 [0,1,0,1,0,0|0,0,2]=4 19186 B11R1.25 CC[C@@H](C)COC1CC=CC1 1f271ffda478bbd1279bc91d018837b4 [0,1,0,1,0,0|0,0,2]=4 19187 B11R1.25 CC[C@@H](C)COC1CCCC1 0c2ae384d5458fdfd4ec06bf1637cf25 [0,1,0,1,0,0|0,0,0]=2 19188 B11R1.25 CC[C@@H](C)COC1CCCO1 fe4d7dfe02547653c71514f9530a1224 [0,1,0,1,0,0|1,0,0]=3 19189 B11R1.25 CC[C@@H](C)COC1CCOC1 073ee0d55209aadf7b986f40a561fe74 [0,1,0,1,0,0|1,0,0]=3 19190 B11R1.25 CC[C@@H](C)COC1CCSC1 c693cbe4f19518269ff7f18e28bf9172 [0,1,0,1,0,0|1,0,0]=3 19191 B11R1.25 CC[C@@H](C)CO[C@@H]1CCOC1 0e73bb46fd17449e841dd2dba8d28c23 [0,1,0,1,0,0|1,0,0]=3 19192 B11R1.25 CC[C@@H](C)CO[C@@H]1CCSC1 e6f8624ffc1cd3a79dc06c2fb8934db6 [0,1,0,1,0,0|1,0,0]=3 19193 B11R1.25 CC[C@@H](C)CO[C@H]1CCOC1 2206c42a96c832189b086121a13ebced [0,1,0,1,0,0|1,0,0]=3 19194 B11R1.25 CC[C@@H](C)CO[C@H]1CCSC1 5e7729d176f2aca60069f1384a3ce23f [0,1,0,1,0,0|1,0,0]=3 19195 B11R1.25 CC[C@@H](C)NCC1CCCC1 dcda174862540a8d4a422f5468d9ebc1 [0,1,0,1,0,0|2,0,0]=4 19196 B11R1.25 CC[C@@H](C)OCC1CCCC1 13fec55c187260c1660e170333da6324 [0,1,0,1,0,0|2,0,0]=4 19197 B11R1.25 CC[C@@H](O)CNC1CCCC1 4a392523f394c6eda4173e98ca190de0 [0,1,0,1,0,0|1,0,0]=3 19198 B11R1.25 CC[C@@H](O)CNC1CCOC1 42ed20b758cdf99ab3beec1dd04f0fa0 [0,1,0,1,0,0|2,0,0]=4 19199 B11R1.25 CC[C@@H](O)CN[C@@H]1CCOC1 68001078516c32bd42a34f6f15c6e3a4 [0,1,0,1,0,0|2,0,0]=4 19200 B11R1.25 CC[C@@H](O)CN[C@H]1CCOC1 09d3d22a6c98ec3f6ef94359b0463a7e [0,1,0,1,0,0|2,0,0]=4 19201 B11R1.25 CC[C@H](C)CNC1CCCC1 4465657e6e3fd8f52ea262addd34edbb [0,1,0,1,0,0|1,0,0]=3 19202 B11R1.25 CC[C@H](C)CNC1CCOC1 a363d99850fc4a54d0e327bfcf5e2861 [0,1,0,1,0,0|2,0,0]=4 19203 B11R1.25 CC[C@H](C)CNC1CCSC1 1b496bfffdd7106f7912b5b21fe8b1a7 [0,1,0,1,0,0|2,0,0]=4 19204 B11R1.25 CC[C@H](C)CN[C@@H]1CCOC1 9c4b50a541b42587e192855d3b82ec00 [0,1,0,1,0,0|2,0,0]=4 19205 B11R1.25 CC[C@H](C)CN[C@H]1CCOC1 62c6dff515d4ccb6a9d30718757c8d29 [0,1,0,1,0,0|2,0,0]=4 19206 B11R1.25 CC[C@H](C)COC1C=CCC1 a1b07f22495c1bfa412083a396610443 [0,1,0,1,0,0|0,0,2]=4 19207 B11R1.25 CC[C@H](C)COC1CC=CC1 82bf173bcc2e584a71928b658099160e [0,1,0,1,0,0|0,0,2]=4 19208 B11R1.25 CC[C@H](C)COC1CCCC1 9a11931f9c30ecea4ef65c1d9f5c3a3a [0,1,0,1,0,0|0,0,0]=2 19209 B11R1.25 CC[C@H](C)COC1CCCO1 092dcb1749b2e36d206d7d7085e68858 [0,1,0,1,0,0|1,0,0]=3 19210 B11R1.25 CC[C@H](C)COC1CCOC1 b204800600fbd3550c24b3c679f87a5a [0,1,0,1,0,0|1,0,0]=3 19211 B11R1.25 CC[C@H](C)COC1CCSC1 68bf764738df677bef0373531cfaedad [0,1,0,1,0,0|1,0,0]=3 19212 B11R1.25 CC[C@H](C)CO[C@@H]1CCOC1 096b83e7d2142ddb63d6995560d594c9 [0,1,0,1,0,0|1,0,0]=3 19213 B11R1.25 CC[C@H](C)CO[C@@H]1CCSC1 0a65b670516f12bfb3be38acdfbf7d09 [0,1,0,1,0,0|1,0,0]=3 19214 B11R1.25 CC[C@H](C)CO[C@H]1CCOC1 8e4c71c6c368b1aa8de7940cc0b58297 [0,1,0,1,0,0|1,0,0]=3 19215 B11R1.25 CC[C@H](C)CO[C@H]1CCSC1 13fd979c6ef531fb4f813c8411891ca6 [0,1,0,1,0,0|1,0,0]=3 19216 B11R1.25 CC[C@H](C)NCC1CCCC1 90bcca65aa8744f0f10e04d8f9133b2b [0,1,0,1,0,0|2,0,0]=4 19217 B11R1.25 CC[C@H](C)OCC1CCCC1 0d101bde4ae5e53f0d43f7b5ab5c1d19 [0,1,0,1,0,0|2,0,0]=4 19218 B11R1.25 CNC(=O)COC1CCCC1 5d981b3872cdec3b1a66c1fafc01c71b [0,1,0,1,0,0|1,0,1]=4 19219 B11R1.25 COC(=O)COC1CCCC1 085020e1b123128ec3ee74cb59ea108d [0,1,0,1,0,0|1,0,1]=4 19220 B11R1.25 COC(C)CNC1CCCC1 6cfde4adcdee41e220cc8b38d2be4699 [0,1,0,1,0,0|2,0,0]=4 19221 B11R1.25 COC(C)COC1CCCC1 997e9efa15d1c59fd5feade9770802cb [0,1,0,1,0,0|1,0,0]=3 19222 B11R1.25 COC(C)COC1CCCO1 c8f5c5568ccb6e9cb4a9d7076b5fa22c [0,1,0,1,0,0|2,0,0]=4 19223 B11R1.25 COC(C)COC1CCOC1 40a0e62eac9736a277744d83dc19c60f [0,1,0,1,0,0|2,0,0]=4 19224 B11R1.25 COC(C)COC1CCSC1 f22ee21f08b350afc7eea3b41481fc48 [0,1,0,1,0,0|2,0,0]=4 19225 B11R1.25 COC(C)CO[C@@H]1CCOC1 984888ad06bde3c09a7e390946f69756 [0,1,0,1,0,0|2,0,0]=4 19226 B11R1.25 COC(C)CO[C@@H]1CCSC1 41dae5573a919eb4c85d1d86f3c8fadf [0,1,0,1,0,0|2,0,0]=4 19227 B11R1.25 COC(C)CO[C@H]1CCOC1 68642aeeb2f71cdb4bbfd95755fb58bc [0,1,0,1,0,0|2,0,0]=4 19228 B11R1.25 COC(C)CO[C@H]1CCSC1 9e70518d066b7f890778080ea2fc7946 [0,1,0,1,0,0|2,0,0]=4 19229 B11R1.25 CO[C@@H](C)CNC1CCCC1 855da73e2fa716c1dc865c9829cf0cbe [0,1,0,1,0,0|2,0,0]=4 19230 B11R1.25 CO[C@@H](C)COC1CCCC1 d630df7b39263e3b739543f94c0c2ff9 [0,1,0,1,0,0|1,0,0]=3 19231 B11R1.25 CO[C@@H](C)COC1CCCO1 b1cc7e8f4bfdb5ff38c43315195f4eda [0,1,0,1,0,0|2,0,0]=4 19232 B11R1.25 CO[C@@H](C)COC1CCOC1 c9cee2bd709dd9152f5213f6282936b4 [0,1,0,1,0,0|2,0,0]=4 19233 B11R1.25 CO[C@@H](C)COC1CCSC1 088799cfef6e129fb340147e0593a0cf [0,1,0,1,0,0|2,0,0]=4 19234 B11R1.25 CO[C@@H](C)CO[C@@H]1CCOC1 b6f52c6290de9fa29e01234da749928f [0,1,0,1,0,0|2,0,0]=4 19235 B11R1.25 CO[C@@H](C)CO[C@@H]1CCSC1 b1917f1f67b45bfa042d04c1db0f6be6 [0,1,0,1,0,0|2,0,0]=4 19236 B11R1.25 CO[C@@H](C)CO[C@H]1CCOC1 c582db6cd6e2a4375ea91f74687ab9b0 [0,1,0,1,0,0|2,0,0]=4 19237 B11R1.25 CO[C@@H](C)CO[C@H]1CCSC1 555817051d07b969ea3f3e1789009fe7 [0,1,0,1,0,0|2,0,0]=4 19238 B11R1.25 CO[C@H](C)CNC1CCCC1 552519f27b8d23eace0fb6cf023d988e [0,1,0,1,0,0|2,0,0]=4 19239 B11R1.25 CO[C@H](C)COC1CCCC1 97c9a51fe6a6ff8e2db40bc16b68bafc [0,1,0,1,0,0|1,0,0]=3 19240 B11R1.25 CO[C@H](C)COC1CCCO1 881a1ba2e930b7586989b5ac2e2ed070 [0,1,0,1,0,0|2,0,0]=4 19241 B11R1.25 CO[C@H](C)COC1CCOC1 e8e60353d1d1c470f744ef19fdfb6492 [0,1,0,1,0,0|2,0,0]=4 19242 B11R1.25 CO[C@H](C)COC1CCSC1 f8f0b37cd9eed378bb895e8f40fade0f [0,1,0,1,0,0|2,0,0]=4 19243 B11R1.25 CO[C@H](C)CO[C@@H]1CCOC1 a83fbc71a21f02eddc296b7a214c5cc5 [0,1,0,1,0,0|2,0,0]=4 19244 B11R1.25 CO[C@H](C)CO[C@@H]1CCSC1 b9f0ed04a714be65df9d023fbabb3a6f [0,1,0,1,0,0|2,0,0]=4 19245 B11R1.25 CO[C@H](C)CO[C@H]1CCOC1 92713206157592413413dd910961feca [0,1,0,1,0,0|2,0,0]=4 19246 B11R1.25 CO[C@H](C)CO[C@H]1CCSC1 7c27ca6e01aca0580ff7344cff2798ad [0,1,0,1,0,0|2,0,0]=4 19247 B11R1.25 C[C@@H](CO)CNC1CCCC1 9b98d840ac11dbad2d8a28e865e64929 [0,1,0,1,0,0|2,0,0]=4 19248 B11R1.25 C[C@H](CO)CNC1CCCC1 e5e16ec3c1c35a7cb8412497c671db59 [0,1,0,1,0,0|2,0,0]=4 19249 B11R1.25 ClCC(Cl)COC1CCCC1 1660b97ed99e76631dd560390e0e8f9b [0,1,0,1,0,0|1,0,0]=3 19250 B11R1.25 ClCC(Cl)COC1CCOC1 94afc082d7beef6165ed9f16481e64d2 [0,1,0,1,0,0|2,0,0]=4 19251 B11R1.25 ClCC(Cl)CO[C@@H]1CCOC1 3f097bb5116866567d6ea2877f868a46 [0,1,0,1,0,0|2,0,0]=4 19252 B11R1.25 ClCC(Cl)CO[C@H]1CCOC1 a0e6aac4e1c156288f0f014539c0f8db [0,1,0,1,0,0|2,0,0]=4 19253 B11R1.25 OC(CF)CNC1CCCC1 0e9885d1ed0d8078a02944c41d1cc343 [0,1,0,1,0,0|2,0,0]=4 19254 B11R1.25 OCC(F)CNC1CCCC1 e6bffb72bdcffee9e738c655eb059f01 [0,1,0,1,0,0|2,0,0]=4 19255 B11R1.25 OCC(O)CNC1CCCC1 e3b13261d42e13a2b2a722c9262464c3 [0,1,0,1,0,0|2,0,0]=4 19256 B11R1.25 OCC(O)COC1CCCC1 db1b5049ff7de8c12098bf786b1fc5b7 [0,1,0,1,0,0|1,0,0]=3 19257 B11R1.25 OCC(O)COC1CCCO1 169d606239a2594659b746d7a492a8de [0,1,0,1,0,0|2,0,0]=4 19258 B11R1.25 OCC(O)COC1CCOC1 6bf111b68d5a80840228799b62cf77d0 [0,1,0,1,0,0|2,0,0]=4 19259 B11R1.25 OCC(O)COC1CCSC1 ff4c7d54bdb1faf43c2202fc9a611e62 [0,1,0,1,0,0|2,0,0]=4 19260 B11R1.25 OCC(O)CO[C@@H]1CCOC1 da63deab8925dda4783f4eea44d635cc [0,1,0,1,0,0|2,0,0]=4 19261 B11R1.25 OCC(O)CO[C@@H]1CCSC1 120b2a696035689d235f1de59f8640ac [0,1,0,1,0,0|2,0,0]=4 19262 B11R1.25 OCC(O)CO[C@H]1CCOC1 e5a438ce294ac8d397b5c6070f18bb2f [0,1,0,1,0,0|2,0,0]=4 19263 B11R1.25 OCC(O)CO[C@H]1CCSC1 3aafd62bb708d1a8d8da2c20a999fc98 [0,1,0,1,0,0|2,0,0]=4 19264 B11R1.25 OC[C@@H](F)CNC1CCCC1 6cff2ef0aebd71b24f907298abcd61ab [0,1,0,1,0,0|2,0,0]=4 19265 B11R1.25 OC[C@@H](O)CNC1CCCC1 08bbe7ead16db6e0f0a922a57a1cb4f8 [0,1,0,1,0,0|2,0,0]=4 19266 B11R1.25 OC[C@@H](O)COC1CCCC1 9eb4812cde3ec645c35bcd514be476f5 [0,1,0,1,0,0|1,0,0]=3 19267 B11R1.25 OC[C@@H](O)COC1CCCO1 031b310b85f831d4056f98b8d597b5a6 [0,1,0,1,0,0|2,0,0]=4 19268 B11R1.25 OC[C@@H](O)COC1CCOC1 e4d60fcd16ed0428a75b83db481a63fe [0,1,0,1,0,0|2,0,0]=4 19269 B11R1.25 OC[C@@H](O)COC1CCSC1 5839b02c577fae1ad79b26f3e2d4296d [0,1,0,1,0,0|2,0,0]=4 19270 B11R1.25 OC[C@@H](O)CO[C@@H]1CCOC1 a885b662d0e22161c63bce99adff23f0 [0,1,0,1,0,0|2,0,0]=4 19271 B11R1.25 OC[C@@H](O)CO[C@@H]1CCSC1 819432c83ca3c47b4159fbe085e45c2a [0,1,0,1,0,0|2,0,0]=4 19272 B11R1.25 OC[C@@H](O)CO[C@H]1CCOC1 13046da0adcab49beba22cfc3fedf096 [0,1,0,1,0,0|2,0,0]=4 19273 B11R1.25 OC[C@@H](O)CO[C@H]1CCSC1 4acc954c52a349e33a2806f5618cbcaf [0,1,0,1,0,0|2,0,0]=4 19274 B11R1.25 OC[C@H](F)CNC1CCCC1 5a63eff85cb2a06ca7ffa65b9f8fa43e [0,1,0,1,0,0|2,0,0]=4 19275 B11R1.25 OC[C@H](O)CNC1CCCC1 60e7f3c8cc350d9970023bacc66ac29d [0,1,0,1,0,0|2,0,0]=4 19276 B11R1.25 OC[C@H](O)COC1CCCC1 d113326d42bdfb3bcb6b2117ad37b22a [0,1,0,1,0,0|1,0,0]=3 19277 B11R1.25 OC[C@H](O)COC1CCCO1 627e1fd9106fc75e9081491849657a2c [0,1,0,1,0,0|2,0,0]=4 19278 B11R1.25 OC[C@H](O)COC1CCOC1 4cf376e5f7595b674447850e20cb97a7 [0,1,0,1,0,0|2,0,0]=4 19279 B11R1.25 OC[C@H](O)COC1CCSC1 5d17644a50b81f79b3069ed30cb6977b [0,1,0,1,0,0|2,0,0]=4 19280 B11R1.25 OC[C@H](O)CO[C@@H]1CCOC1 e5522edae5f36cf3b41da1c00fa6e1bc [0,1,0,1,0,0|2,0,0]=4 19281 B11R1.25 OC[C@H](O)CO[C@@H]1CCSC1 dd1e52503445873403d00c0babb3d231 [0,1,0,1,0,0|2,0,0]=4 19282 B11R1.25 OC[C@H](O)CO[C@H]1CCOC1 8abc7e256730f06f1dfd24f55c4337f3 [0,1,0,1,0,0|2,0,0]=4 19283 B11R1.25 OC[C@H](O)CO[C@H]1CCSC1 cf216b31a03c834d947211796045212d [0,1,0,1,0,0|2,0,0]=4 19284 B11R1.25 SCC(S)COC1CCCC1 a0d93f299e922a1fbfefd5c22bf6a5ac [0,1,0,1,0,0|1,0,0]=3 19285 B11R1.25 SCC(S)COC1CCOC1 6b12ea49ff2fcb3329d01ebad6db87a5 [0,1,0,1,0,0|2,0,0]=4 19286 B11R1.25 SCC(S)CO[C@@H]1CCOC1 bb578657cc8c42ab7239e66f8bac55c5 [0,1,0,1,0,0|2,0,0]=4 19287 B11R1.25 SCC(S)CO[C@H]1CCOC1 674c0486174e3ef58d2d43d5e0cc2778 [0,1,0,1,0,0|2,0,0]=4 19288 B11R1.40 CC(CF)OC1CCCCO1 1ff1c04088c3ed188534db8a4c978459 [0,1,0,1,0,0|2,0,0]=4 19289 B11R1.40 CC(CO)NC1CCCCO1 9cdff9f840f70bafdf509dd65f3dcba6 [0,1,0,1,0,0|2,0,0]=4 19290 B11R1.40 CC(CS)OC1CCCCO1 5d2c4d6b874f977d1102cb61ce6265b1 [0,1,0,1,0,0|2,0,0]=4 19291 B11R1.40 CCC(C)CN1CCCOC1 f4061130b938fcbd79167092c5d3a62c [0,1,0,1,0,0|2,0,0]=4 19292 B11R1.40 CCC(C)CN1CCCSC1 b94a1e47cb6c84ff939d3b986f15536e [0,1,0,1,0,0|2,0,0]=4 19293 B11R1.40 CCC(C)CN1CCOCC1 e219ee404c2293ae75138fb5efebe9ae [0,1,0,1,0,0|2,0,0]=4 19294 B11R1.40 CCC(C)CN1CCSCC1 91ea9d1f33398f768f837d466f493aa6 [0,1,0,1,0,0|2,0,0]=4 19295 B11R1.40 CCC(C)NC1CCCCC1 252c1f94a39dc3615ef72ab746b752f7 [0,1,0,1,0,0|2,0,0]=4 19296 B11R1.40 CCC(C)NC1CCCCO1 6a1deae475fd749bdd1665952a8ee44e [0,1,0,1,0,0|1,0,0]=3 19297 B11R1.40 CCC(C)OC1CCCCC1 5314eadc109e4244fc32fa4504bd073c [0,1,0,1,0,0|2,0,0]=4 19298 B11R1.40 CCC(C)OC1CCCCO1 866400394c66efa3e01b8163a60ae9ed [0,1,0,1,0,0|1,0,0]=3 19299 B11R1.40 CCC(O)CN1CCCOC1 0b59eb1ec05d3b0783c93115730224cb [0,1,0,1,0,0|2,0,0]=4 19300 B11R1.40 CCC(O)CN1CCCSC1 3c688202cc7033a49cb3c448dbeba81d [0,1,0,1,0,0|2,0,0]=4 19301 B11R1.40 CCC(O)CN1CCOCC1 d5e6bb0d88d2897f877c933aa1bf6a1c [0,1,0,1,0,0|2,0,0]=4 19302 B11R1.40 CCC(O)CN1CCSCC1 b831a7535f80fcf4dae2ba77b7021fc9 [0,1,0,1,0,0|2,0,0]=4 19303 B11R1.40 CCN(C)CC1CCCCC1 576dc52a11eb9fa01d0666361872173b [0,1,0,1,0,0|2,0,0]=4 19304 B11R1.40 CCN(C)CC1CCCCO1 a2287c6848a51b119b579f4c5d475b97 [0,1,0,1,0,0|1,0,0]=3 19305 B11R1.40 CCN(C)CC1COCCO1 894170b21912333b4afa750cbd57693a [0,1,0,1,0,0|2,0,0]=4 19306 B11R1.40 CCN(C)C[C@@H]1COCCO1 9014ad4f06608e43c3dd30075c58c808 [0,1,0,1,0,0|2,0,0]=4 19307 B11R1.40 CC[C@@H](C)CN1CCCOC1 f33dc7c0fc3957ee1ba9355f662cba8f [0,1,0,1,0,0|2,0,0]=4 19308 B11R1.40 CC[C@@H](C)CN1CCCSC1 0ed4f993f7811d3d23478da9aa00b6ab [0,1,0,1,0,0|2,0,0]=4 19309 B11R1.40 CC[C@@H](C)CN1CCOCC1 28483664b57662962492d1c5d41c4709 [0,1,0,1,0,0|2,0,0]=4 19310 B11R1.40 CC[C@@H](C)CN1CCSCC1 128c52f260a1bb634cf1984fb627e138 [0,1,0,1,0,0|2,0,0]=4 19311 B11R1.40 CC[C@@H](C)NC1CCCCC1 881aa98bba4039fbc357211301fb6563 [0,1,0,1,0,0|2,0,0]=4 19312 B11R1.40 CC[C@@H](C)NC1CCCCO1 176ee32f759050ddce8069ea6cd6bec0 [0,1,0,1,0,0|1,0,0]=3 19313 B11R1.40 CC[C@@H](C)OC1CCCCC1 f2a6fb3afcec156ba44da6c293278c31 [0,1,0,1,0,0|2,0,0]=4 19314 B11R1.40 CC[C@@H](C)OC1CCCCO1 f47118099e5a490bf071faff600b4871 [0,1,0,1,0,0|1,0,0]=3 19315 B11R1.40 CC[C@H](C)CN1CCCOC1 00e366b5c088a4626defc2278d31b450 [0,1,0,1,0,0|2,0,0]=4 19316 B11R1.40 CC[C@H](C)CN1CCCSC1 cd36fc0266953ec4c0696c5353c88d2d [0,1,0,1,0,0|2,0,0]=4 19317 B11R1.40 CC[C@H](C)CN1CCOCC1 a973711c799a516dca57b09c90cc9959 [0,1,0,1,0,0|2,0,0]=4 19318 B11R1.40 CC[C@H](C)CN1CCSCC1 1393ca4548165defa485691a19841268 [0,1,0,1,0,0|2,0,0]=4 19319 B11R1.40 CC[C@H](C)NC1CCCCC1 ba5abd8592cfbee5ee023a639023fdbd [0,1,0,1,0,0|2,0,0]=4 19320 B11R1.40 CC[C@H](C)NC1CCCCO1 4ec6fdebca7645e12a3df3f30dac5196 [0,1,0,1,0,0|1,0,0]=3 19321 B11R1.40 CC[C@H](C)OC1CCCCC1 591e7bf7445591bdfacfa2200dc9cfc6 [0,1,0,1,0,0|2,0,0]=4 19322 B11R1.40 CC[C@H](C)OC1CCCCO1 8a6ec1d622767f749f7d91ce92b4a5bc [0,1,0,1,0,0|1,0,0]=3 19323 B11R1.40 CN(CF)CC1CCCCO1 a26c0ad8ff5b8a0d636da6dcd5910fca [0,1,0,1,0,0|2,0,0]=4 19324 B11R1.40 CN(CO)CC1CCCCO1 984f2981961bcfe804e7f236c58690d4 [0,1,0,1,0,0|2,0,0]=4 19325 B11R1.40 C[C@@H](CO)NC1CCCCO1 58f30183bdc83cd0ce0ee09f52cefd5b [0,1,0,1,0,0|2,0,0]=4 19326 B11R1.40 C[C@H](CO)NC1CCCCO1 e8a2879f122944e0621052bac30ba2ff [0,1,0,1,0,0|2,0,0]=4 19327 B11R1.40 C[C@H](CS)OC1CCCCO1 7503427a07b2aa7a3b9029dfa9604708 [0,1,0,1,0,0|2,0,0]=4 19328 B11R1.54 CCN1CCOCC1(C)CO 5048abc7171c1e12a867cbe6c92a3428 [0,1,0,1,0,0|2,0,0]=4 19329 B11R1.59 CCC(C)N1CCCC1CC 6528968d92d9e9b67244294de43d3e1d [0,1,0,1,0,0|2,0,0]=4 19330 B11R1.59 CCC(C)N1CCC[C@H]1CC 26b28d8b536a125bb9547e76db7b530d [0,1,0,1,0,0|2,0,0]=4 19331 B11R1.59 CCN(C)C1COCC1CO ed254869b7140ab9440c288bd22be13f [0,1,0,1,0,0|2,0,0]=4 19332 B11R1.212 CC1C(CCN1CCCF)O 8974504fd6dd749d5b128e826b1e519d [0,1,0,1,0,0|2,0,0]=4 19333 B11R1.212 CC1C(CCN1CCCO)O 1acb17aee69a33813ff4dc5ddf704a7e [0,1,0,1,0,0|2,0,0]=4 19334 B11R1.212 CC1C(CCN1CCCS)O 354b18529f08c7a6f7041feaa44c6fe3 [0,1,0,1,0,0|2,0,0]=4 19335 B11R1.212 CCCCN1CCC(C1C)O 4016b0e6e97435a2e46978120d8eb2d7 [0,1,0,1,0,0|1,0,0]=3 19336 B11R1.212 CCCCN1CC[C@@H]([C@@H]1C)O bba8b5a22d17297cb70d7d4b523a96c6 [0,1,0,1,0,0|1,0,0]=3 19337 B11R1.212 CCCCN1CC[C@H]([C@H]1C)O de99e4d606f8192bfbf37c487ddf2357 [0,1,0,1,0,0|1,0,0]=3 19338 B11R1.212 CCOCN1CCC(C1C)O f97a4de3352d2e5c2379838e0ef0da4c [0,1,0,1,0,0|2,0,0]=4 19339 B11R1.212 CCOCN1CC[C@@H]([C@@H]1C)O 76be26266533da573db428dff3b28443 [0,1,0,1,0,0|2,0,0]=4 19340 B11R1.212 CCOCN1CC[C@H]([C@H]1C)O 0a8d505cba58a579a6ca1162bc7d1e97 [0,1,0,1,0,0|2,0,0]=4 19341 B11R1.212 COCCN1CCC(C1C)O 9dfcc58e1f6cc530b6f61e69560ee672 [0,1,0,1,0,0|2,0,0]=4 19342 B11R1.212 COCCN1CC[C@@H]([C@@H]1C)O 9e3df040281869f87d2a3a8c61c9b516 [0,1,0,1,0,0|2,0,0]=4 19343 B11R1.212 COCCN1CC[C@H]([C@H]1C)O e73a1a5cfc6700e1ee8d6e8f0a981d55 [0,1,0,1,0,0|2,0,0]=4 19344 B11R1.212 CSCCN1CCC(C1C)O 5ad7f1988b026d23b73ff156cb8c43f8 [0,1,0,1,0,0|2,0,0]=4 19345 B11R1.212 CSCCN1CC[C@@H]([C@@H]1C)O 8d9c3f1478bf637cc8475d038438d370 [0,1,0,1,0,0|2,0,0]=4 19346 B11R1.212 CSCCN1CC[C@H]([C@H]1C)O fa251cbe53b03ee575c22695bc605734 [0,1,0,1,0,0|2,0,0]=4 19347 B11R1.212 C[C@@H]1[C@@H](CCN1CCCF)O db6bc7f5098c067218ff1422dbc48dfc [0,1,0,1,0,0|2,0,0]=4 19348 B11R1.212 C[C@@H]1[C@@H](CCN1CCCO)O 2474cb26c86851633f975aba43d2690b [0,1,0,1,0,0|2,0,0]=4 19349 B11R1.212 C[C@@H]1[C@@H](CCN1CCCS)O c4a03e6c57377f8a223ea269004a7157 [0,1,0,1,0,0|2,0,0]=4 19350 B11R1.212 C[C@H]1[C@H](CCN1CCCF)O ec5fd7c6f552b94b24c833de09367720 [0,1,0,1,0,0|2,0,0]=4 19351 B11R1.212 C[C@H]1[C@H](CCN1CCCO)O c8cd8ff3d3b76e35c269dc4e32624acc [0,1,0,1,0,0|2,0,0]=4 19352 B11R1.212 C[C@H]1[C@H](CCN1CCCS)O 67825f2643094fd7e595e21a51d35afb [0,1,0,1,0,0|2,0,0]=4 19353 B11R1.214 CCC1CCN(C1)CCCF 63a8c37c1f3762a7779c49bb02ddc172 [0,1,0,1,0,0|2,0,0]=4 19354 B11R1.214 CCC1CCN(C1)CCCO 91ddea725478c9840499db2c62dfacaf [0,1,0,1,0,0|2,0,0]=4 19355 B11R1.214 CCC1CCN(C1)CCCS 9ac8daa3be44864a6ce41f2fa59481d2 [0,1,0,1,0,0|2,0,0]=4 19356 B11R1.214 CCC1CCN(C1)CCOC 89db74cc00d97d799d92fbc68b19147e [0,1,0,1,0,0|2,0,0]=4 19357 B11R1.214 CCC1CCN(C1)CCSC b6174635b159e520b16023b20aacb96b [0,1,0,1,0,0|2,0,0]=4 19358 B11R1.214 CCCCN1CCC(C1)CC 578ab0cb5a2ed6c5f24d7124e85bd7c8 [0,1,0,1,0,0|1,0,0]=3 19359 B11R1.214 CCCCN1CCC(C1)CO 16b7e14405f45cfb97159e46b8add0c2 [0,1,0,1,0,0|2,0,0]=4 19360 B11R1.214 CCCCN1CCC(C1)OC 7398f13a2ff34530eb5af1272dfe25ef [0,1,0,1,0,0|2,0,0]=4 19361 B11R1.214 CCCCN1CC[C@@H](C1)CO 20f648a6b7104e94cacb6db0163b8702 [0,1,0,1,0,0|2,0,0]=4 19362 B11R1.214 CCCCN1CC[C@@H](C1)OC 311233e4bd0bf5abb708ab35d663ec2e [0,1,0,1,0,0|2,0,0]=4 19363 B11R1.214 CCCCN1CC[C@H](C1)CO a487003ddf6b1a56271595ca71da9639 [0,1,0,1,0,0|2,0,0]=4 19364 B11R1.214 CCCCN1CC[C@H](C1)OC db6a25e0aa6f39da009015fa31d3b18e [0,1,0,1,0,0|2,0,0]=4 19365 B11R1.214 CCOCN1CCC(C1)CC 79fd6df4f07a457ad387ef55e5fb251c [0,1,0,1,0,0|2,0,0]=4 19366 B11R1.222 CCC(C)N1CCCCC1C bf170c082beba4304dead3fe9d5fef7d [0,1,0,1,0,0|2,0,0]=4 19367 B11R1.222 CCC(C)N1CCCC[C@@H]1C b91172fc07fae75938c54bd81f71a1b3 [0,1,0,1,0,0|2,0,0]=4 19368 B11R1.222 CCC(C)N1CCCC[C@H]1C 0835cc29f192300670dac082e089aa7b [0,1,0,1,0,0|2,0,0]=4 19369 B11R1.222 CCN(C)[C@H]1CCCC[C@H]1C 9fc1959d4e688a82e1c1057fafa8f084 [0,1,0,1,0,0|2,0,0]=4 19370 B11R1.223 C=C(CC)CN[C@@H]1CC[C@H]1C bdcad9cae91d3f5f031fac518e8bc6ef [0,1,0,1,0,0|1,0,1]=4 19371 B11R1.223 C=C(CC)CN[C@H]1CC[C@H]1C c6bff4e5841aca58f68081b0ed6a745c [0,1,0,1,0,0|1,0,1]=4 19372 B11R1.223 C=C(CC)COC1COC1C 4ea904a131388f718e882e6be835b810 [0,1,0,1,0,0|1,0,1]=4 19373 B11R1.223 CC(CO)CN[C@@H]1CC[C@H]1C 0ba9ab5790fd7debe02aaa8892d83d05 [0,1,0,1,0,0|2,0,0]=4 19374 B11R1.223 CC(CO)CN[C@H]1CC[C@H]1C 19256b128a2484ddceea153a57c42b82 [0,1,0,1,0,0|2,0,0]=4 19375 B11R1.223 CC1OCC1OCC(O)CO 8753770db40d6ea2263b0c990b67d7a8 [0,1,0,1,0,0|2,0,0]=4 19376 B11R1.223 CC1OCC1OC[C@@H](O)CO fa5cfe336efa8614efd9d4badf3d2bf5 [0,1,0,1,0,0|2,0,0]=4 19377 B11R1.223 CC1OCC1OC[C@H](O)CO 1332557db0b41e77c12ca26ca7150b8a [0,1,0,1,0,0|2,0,0]=4 19378 B11R1.223 CCC(=O)CN[C@@H]1CC[C@H]1C a8bc64d29c0a05022b6529f0429434ad [0,1,0,1,0,0|1,0,1]=4 19379 B11R1.223 CCC(=O)CN[C@H]1CC[C@H]1C aec74fc52f158fa0328dbfb0fd3a9d65 [0,1,0,1,0,0|1,0,1]=4 19380 B11R1.223 CCC(=O)COC1COC1C 6228109d116551e452e872fb98d308ee [0,1,0,1,0,0|1,0,1]=4 19381 B11R1.223 CCC(C)CNC1CCC1F f0dacbc19bb0cbcc122a66d524b52ebf [0,1,0,1,0,0|2,0,0]=4 19382 B11R1.223 CCC(C)CNC1CCC1O e706473d6a6e4a8fd682b22b3efcb5ca [0,1,0,1,0,0|2,0,0]=4 19383 B11R1.223 CCC(C)CNC1COC1C f20bb061625643cae1cddb158a4520f8 [0,1,0,1,0,0|2,0,0]=4 19384 B11R1.223 CCC(C)CN[C@@H]1CC[C@@H]1O 89149a5a6d257eeefdb4adf18ed19287 [0,1,0,1,0,0|2,0,0]=4 19385 B11R1.223 CCC(C)CN[C@@H]1CC[C@H]1C 2f96fe42c48a94c306bd3eaa4122ca26 [0,1,0,1,0,0|1,0,0]=3 19386 B11R1.223 CCC(C)CN[C@@H]1CC[C@H]1O 00e83fb4ff05b6cdb7bc9241dc6e3aec [0,1,0,1,0,0|2,0,0]=4 19387 B11R1.223 CCC(C)CN[C@H]1CC[C@@H]1O 57a47932477abcef91d4bdf2cdb810c2 [0,1,0,1,0,0|2,0,0]=4 19388 B11R1.223 CCC(C)CN[C@H]1CC[C@H]1C cca02646767b28d87e2a0ef4423100be [0,1,0,1,0,0|1,0,0]=3 19389 B11R1.223 CCC(C)CN[C@H]1CC[C@H]1O 333e0f6469ba27116ae2ff4ca90b2136 [0,1,0,1,0,0|2,0,0]=4 19390 B11R1.223 CCC(C)COC1CCC1=O 15532da23ce949e449340fcc4cf52630 [0,1,0,1,0,0|1,0,1]=4 19391 B11R1.223 CCC(C)COC1COC1C c1285c96e9d229e15fc3a035176eec14 [0,1,0,1,0,0|1,0,0]=3 19392 B11R1.223 CCC(O)CNC1CCC1F 245798fcad34348d4f4b4f518a32e441 [0,1,0,1,0,0|2,0,0]=4 19393 B11R1.223 CCC(O)CNC1CCC1O 2e488d7ba2a862130530453e483d743d [0,1,0,1,0,0|2,0,0]=4 19394 B11R1.223 CCC(O)CNC1COC1C 9a81a65a9cd2adde23779277559dd4f1 [0,1,0,1,0,0|2,0,0]=4 19395 B11R1.223 CCC(O)CN[C@@H]1CC[C@@H]1O 607f1ea568fd1e0997637d20e9a6ae91 [0,1,0,1,0,0|2,0,0]=4 19396 B11R1.223 CCC(O)CN[C@@H]1CC[C@H]1C 5e65ef73b4d832a5f938ad7e251fbf99 [0,1,0,1,0,0|1,0,0]=3 19397 B11R1.223 CCC(O)CN[C@@H]1CC[C@H]1O d1a0b55315ed52d1b62aa6f5c4510715 [0,1,0,1,0,0|2,0,0]=4 19398 B11R1.223 CCC(O)CN[C@H]1CC[C@@H]1O 89a515d35f23aad410fcf5aa48ecd4f1 [0,1,0,1,0,0|2,0,0]=4 19399 B11R1.223 CCC(O)CN[C@H]1CC[C@H]1C 682d5ad6e23cda4ffaad099098e2ab86 [0,1,0,1,0,0|1,0,0]=3 19400 B11R1.223 CCC(O)CN[C@H]1CC[C@H]1O 6f3d25ce9e3eac52f8f04035acb42dc2 [0,1,0,1,0,0|2,0,0]=4 19401 B11R1.223 CC[C@@H](C)CNC1CCC1F b83496e0f4f6e3362911d735dbdd4b71 [0,1,0,1,0,0|2,0,0]=4 19402 B11R1.223 CC[C@@H](C)CNC1CCC1O 07088e473d7b3f3ee55c092d855e8420 [0,1,0,1,0,0|2,0,0]=4 19403 B11R1.223 CC[C@@H](C)CNC1COC1C 2a5590d27da313aa90b06e9e5385e08d [0,1,0,1,0,0|2,0,0]=4 19404 B11R1.223 CC[C@@H](C)CN[C@@H]1CC[C@@H]1O 50c627d530df6132dd5607e776caf4c9 [0,1,0,1,0,0|2,0,0]=4 19405 B11R1.223 CC[C@@H](C)CN[C@@H]1CC[C@H]1C ed578a906b0751e47b91b85b30c40144 [0,1,0,1,0,0|1,0,0]=3 19406 B11R1.223 CC[C@@H](C)CN[C@@H]1CC[C@H]1O 67237a107c055fb04d26c5767f003545 [0,1,0,1,0,0|2,0,0]=4 19407 B11R1.223 CC[C@@H](C)CN[C@H]1CC[C@@H]1O ca528e5322f200447aaa639ebef63a60 [0,1,0,1,0,0|2,0,0]=4 19408 B11R1.223 CC[C@@H](C)CN[C@H]1CC[C@H]1C 31d384d221fde52ee0df733327e59a82 [0,1,0,1,0,0|1,0,0]=3 19409 B11R1.223 CC[C@@H](C)CN[C@H]1CC[C@H]1O 59c62cea68a428f48095c42bbdf19de7 [0,1,0,1,0,0|2,0,0]=4 19410 B11R1.223 CC[C@@H](C)COC1CCC1=O 3bd372095c36c0375616eca27ab55307 [0,1,0,1,0,0|1,0,1]=4 19411 B11R1.223 CC[C@@H](C)COC1COC1C 330755c0dc0df786ad7ed7d1cfe6e768 [0,1,0,1,0,0|1,0,0]=3 19412 B11R1.223 CC[C@H](C)CNC1CCC1F 25e273a06b5908f3096c4dad6c310e95 [0,1,0,1,0,0|2,0,0]=4 19413 B11R1.223 CC[C@H](C)CNC1CCC1O 7e26f8bf109e821564fdd77251c2184b [0,1,0,1,0,0|2,0,0]=4 19414 B11R1.223 CC[C@H](C)CNC1COC1C b1c650890aefb19fd249d19a0878cf16 [0,1,0,1,0,0|2,0,0]=4 19415 B11R1.223 CC[C@H](C)CN[C@@H]1CC[C@@H]1O bf72a3c8ca78e6992fa18e240cfa505c [0,1,0,1,0,0|2,0,0]=4 19416 B11R1.223 CC[C@H](C)CN[C@@H]1CC[C@H]1C 54e993e7f8faf3ae5c885e44ef97264a [0,1,0,1,0,0|1,0,0]=3 19417 B11R1.223 CC[C@H](C)CN[C@@H]1CC[C@H]1O 41b46e61c69877c94afba218b6444941 [0,1,0,1,0,0|2,0,0]=4 19418 B11R1.223 CC[C@H](C)CN[C@H]1CC[C@@H]1O de9c1dac2eed118b645dfdda439ea7cc [0,1,0,1,0,0|2,0,0]=4 19419 B11R1.223 CC[C@H](C)CN[C@H]1CC[C@H]1C 9ad33e33612775f61bb57c0be98c871d [0,1,0,1,0,0|1,0,0]=3 19420 B11R1.223 CC[C@H](C)CN[C@H]1CC[C@H]1O b00eb1604e32634a44df14110b24851b [0,1,0,1,0,0|2,0,0]=4 19421 B11R1.223 CC[C@H](C)COC1CCC1=O 110e13433382c8f5fbccbac998940a28 [0,1,0,1,0,0|1,0,1]=4 19422 B11R1.223 CC[C@H](C)COC1COC1C 2a6c6b147994eec0d3c4626e9bc43081 [0,1,0,1,0,0|1,0,0]=3 19423 B11R1.223 COC(C)CN[C@@H]1CC[C@H]1C 68e18bce862ce334fc48f8a7e7a1f615 [0,1,0,1,0,0|2,0,0]=4 19424 B11R1.223 COC(C)CN[C@H]1CC[C@H]1C e828b1c057356520e5e8c85380710a17 [0,1,0,1,0,0|2,0,0]=4 19425 B11R1.223 COC(C)COC1COC1C ea08491087b6a05313e6152ca5e16ed6 [0,1,0,1,0,0|2,0,0]=4 19426 B11R1.223 CO[C@@H](C)CN[C@@H]1CC[C@H]1C a255364c5974831f28b95db9b010db6f [0,1,0,1,0,0|2,0,0]=4 19427 B11R1.223 CO[C@@H](C)CN[C@H]1CC[C@H]1C 3675851d4998676d1fc0247ab7cb187b [0,1,0,1,0,0|2,0,0]=4 19428 B11R1.223 CO[C@@H](C)COC1COC1C 5a51b6b1f370b5778d3c3ce47cb87597 [0,1,0,1,0,0|2,0,0]=4 19429 B11R1.223 CO[C@H](C)CN[C@@H]1CC[C@H]1C 4688ea654f7ee4f4b98e03a3ad377e2a [0,1,0,1,0,0|2,0,0]=4 19430 B11R1.223 CO[C@H](C)CN[C@H]1CC[C@H]1C 9fb66bf98bf395414402bf86b77265b7 [0,1,0,1,0,0|2,0,0]=4 19431 B11R1.223 CO[C@H](C)COC1COC1C 93287cbe7a91a82e6370482a76333206 [0,1,0,1,0,0|2,0,0]=4 19432 B11R1.223 C[C@@H](CO)CN[C@@H]1CC[C@H]1C b4495f9b42719df7931e361d07a76b03 [0,1,0,1,0,0|2,0,0]=4 19433 B11R1.223 C[C@@H](CO)CN[C@H]1CC[C@H]1C d3a862b5d062c6e9aff4072c13d991f6 [0,1,0,1,0,0|2,0,0]=4 19434 B11R1.223 C[C@@H]1CC[C@@H]1NCC(O)CF 87dd19017c4515d822c55cc127e63fde [0,1,0,1,0,0|2,0,0]=4 19435 B11R1.223 C[C@@H]1CC[C@@H]1NCC(O)CO 0344c7a1279606e0675e0481ce47e0fd [0,1,0,1,0,0|2,0,0]=4 19436 B11R1.223 C[C@@H]1CC[C@@H]1NC[C@@H](O)CO 3a2f0b63eede218211d5861fdb2b1b16 [0,1,0,1,0,0|2,0,0]=4 19437 B11R1.223 C[C@@H]1CC[C@@H]1NC[C@H](O)CO 2d83714e2f57145b57bae4556fc0bb2a [0,1,0,1,0,0|2,0,0]=4 19438 B11R1.223 C[C@@H]1CC[C@H]1NCC(O)CF f695655c59235a1abebf8d1f99ac9fc6 [0,1,0,1,0,0|2,0,0]=4 19439 B11R1.223 C[C@@H]1CC[C@H]1NCC(O)CO c88abfaf13b206ca99b1d36b8a554dbd [0,1,0,1,0,0|2,0,0]=4 19440 B11R1.223 C[C@@H]1CC[C@H]1NC[C@@H](O)CO a2809941114c8575ae35843dc45141ad [0,1,0,1,0,0|2,0,0]=4 19441 B11R1.223 C[C@@H]1CC[C@H]1NC[C@H](O)CO 07da38b79a8aa0cf2bfd9124478d607f [0,1,0,1,0,0|2,0,0]=4 19442 B11R1.223 C[C@H](CO)CN[C@@H]1CC[C@H]1C bd3a82483e84859acf5526ffbdb1f70a [0,1,0,1,0,0|2,0,0]=4 19443 B11R1.223 C[C@H](CO)CN[C@H]1CC[C@H]1C b1fbd7ee88e99ec6f5fd6d9faebfc900 [0,1,0,1,0,0|2,0,0]=4 19444 B11R1.228 C=C(CC)CN1CCCC1C 5013879062533cc4b7236b3b6042f05d [0,1,0,1,0,0|1,0,1]=4 19445 B11R1.228 C=C(CC)CN1CCC[C@@H]1C 4fad28cda76feb0ce06d5c804486c350 [0,1,0,1,0,0|1,0,1]=4 19446 B11R1.228 C=C(CC)CN1CCC[C@H]1C 0ad349dcbb167886a53c0f7d30845488 [0,1,0,1,0,0|1,0,1]=4 19447 B11R1.228 CC(CO)CN1CCCC1C 022cb033fa5cf26590a8263f3d80a142 [0,1,0,1,0,0|2,0,0]=4 19448 B11R1.228 CC(CO)CN1CCC[C@@H]1C 67b35e84090a3b80254daadfeb4e91b3 [0,1,0,1,0,0|2,0,0]=4 19449 B11R1.228 CC(CO)CN1CCC[C@H]1C e51b9ea5de31bc1ff727615b018dc031 [0,1,0,1,0,0|2,0,0]=4 19450 B11R1.228 CC1CCCN1CC(O)CF 0a1b70e23cb39a659c5cefd6a72a82b0 [0,1,0,1,0,0|2,0,0]=4 19451 B11R1.228 CC1CCCN1CC(O)CO 4e73da1948104999f1793a4adf6621d8 [0,1,0,1,0,0|2,0,0]=4 19452 B11R1.228 CC1CCCN1C[C@@H](C)CO 831c49c5b370a8b6be37671f615a7353 [0,1,0,1,0,0|2,0,0]=4 19453 B11R1.228 CC1CCCN1C[C@@H](O)CO f9712fcfb3d4afec118470663c0a5a1f [0,1,0,1,0,0|2,0,0]=4 19454 B11R1.228 CC1CCCN1C[C@H](C)CO d80844112d2740d1fd9003bb68886f60 [0,1,0,1,0,0|2,0,0]=4 19455 B11R1.228 CC1CCCN1C[C@H](O)CO cd1b3fa7ae4664b575eeaff8ec4def0f [0,1,0,1,0,0|2,0,0]=4 19456 B11R1.228 CCC(=O)CN1CCCC1C 2d36f414b06a9d1b55e1af6cba137dab [0,1,0,1,0,0|1,0,1]=4 19457 B11R1.228 CCC(=O)CN1CCC[C@@H]1C b7575d72ac60a5bdc9b498426c391697 [0,1,0,1,0,0|1,0,1]=4 19458 B11R1.228 CCC(=O)CN1CCC[C@H]1C fdba0def75e7161dd804c0c5c627099c [0,1,0,1,0,0|1,0,1]=4 19459 B11R1.228 CCC(C)CN1CCCC1C d1a0bd9d2fb760eaa0d027897cf21ca6 [0,1,0,1,0,0|1,0,0]=3 19460 B11R1.228 CCC(C)CN1CCCC1O d7cff0fca9b8accda5bd62e44464e127 [0,1,0,1,0,0|2,0,0]=4 19461 B11R1.228 CCC(C)CN1CCC[C@@H]1C 5a3a57757c5f8b41f5d526517d6e694e [0,1,0,1,0,0|1,0,0]=3 19462 B11R1.228 CCC(C)CN1CCC[C@H]1C 611e483b54fe2b44f0660c68144d2bdc [0,1,0,1,0,0|1,0,0]=3 19463 B11R1.228 CCC(C)CN1CCSC1C bcdfffdb7813b0e0cb37bc461e7aa895 [0,1,0,1,0,0|2,0,0]=4 19464 B11R1.228 CCC(C)OC1CCCC1C 9eb506c0f7ce3441a241e669b839fe95 [0,1,0,1,0,0|2,0,0]=4 19465 B11R1.228 CCC(C)O[C@@H]1CCC[C@@H]1C 6559207c102d3b38e4dceefbf7106445 [0,1,0,1,0,0|2,0,0]=4 19466 B11R1.228 CCC(C)O[C@@H]1CCC[C@H]1C 44fc424a1c98e4aadbf2baf1319dbdc6 [0,1,0,1,0,0|2,0,0]=4 19467 B11R1.228 CCC(C)O[C@H]1CCC[C@@H]1C fcb1f7222315e6f6a2654cc9e85f70a3 [0,1,0,1,0,0|2,0,0]=4 19468 B11R1.228 CCC(C)O[C@H]1CCC[C@H]1C 82684ef614250dfd09da00ddaf0e4480 [0,1,0,1,0,0|2,0,0]=4 19469 B11R1.228 CCC(O)CN1CCCC1C f95aea51466dadd319a0230b713e8197 [0,1,0,1,0,0|1,0,0]=3 19470 B11R1.228 CCC(O)CN1CCCC1O 4fcec3e9e3225b6a87da535d98ded522 [0,1,0,1,0,0|2,0,0]=4 19471 B11R1.228 CCC(O)CN1CCC[C@@H]1C 2cab475078e517dee7e80cee11c5c26e [0,1,0,1,0,0|1,0,0]=3 19472 B11R1.228 CCC(O)CN1CCC[C@H]1C 1253d5c80333b488810d153bae981ddf [0,1,0,1,0,0|1,0,0]=3 19473 B11R1.228 CC[C@@H](C)CN1CCCC1C 69f203be18e888af27c9ab045c19e09d [0,1,0,1,0,0|1,0,0]=3 19474 B11R1.228 CC[C@@H](C)CN1CCCC1O fa3f01e777fca84417cc2fd332b20130 [0,1,0,1,0,0|2,0,0]=4 19475 B11R1.228 CC[C@@H](C)CN1CCC[C@@H]1C dbe8aff1cbd9613a00a4b93359382c6e [0,1,0,1,0,0|1,0,0]=3 19476 B11R1.228 CC[C@@H](C)CN1CCC[C@H]1C ad3ac0f89131f7210644b54c03988345 [0,1,0,1,0,0|1,0,0]=3 19477 B11R1.228 CC[C@@H](C)CN1CCSC1C 380cadb8cfc1023cb5a09d1046c0b6e7 [0,1,0,1,0,0|2,0,0]=4 19478 B11R1.228 CC[C@H](C)CN1CCCC1C f5a4de6a49a7ffc80a48acd2d3673299 [0,1,0,1,0,0|1,0,0]=3 19479 B11R1.228 CC[C@H](C)CN1CCCC1O b28297be6856dae1092587d6ea8bdfd4 [0,1,0,1,0,0|2,0,0]=4 19480 B11R1.228 CC[C@H](C)CN1CCC[C@@H]1C 958a7f9db2851770459878391008ec72 [0,1,0,1,0,0|1,0,0]=3 19481 B11R1.228 CC[C@H](C)CN1CCC[C@H]1C 6d923a580c9e79f137089e4b0470a7ed [0,1,0,1,0,0|1,0,0]=3 19482 B11R1.228 CC[C@H](C)CN1CCSC1C 6f6f5d66bb8aad20b139faaef00bbc5b [0,1,0,1,0,0|2,0,0]=4 19483 B11R1.228 COC(C)CN1CCCC1C 40158db0dd2cfa23871f43e4a4d97021 [0,1,0,1,0,0|2,0,0]=4 19484 B11R1.228 COC(C)CN1CCC[C@@H]1C 4a983986bd938be8e7057581244068d0 [0,1,0,1,0,0|2,0,0]=4 19485 B11R1.228 COC(C)CN1CCC[C@H]1C 8bac64586dbad61dd008c9dcea109e16 [0,1,0,1,0,0|2,0,0]=4 19486 B11R1.228 CO[C@@H](C)CN1CCCC1C ee7585747870e8569b066173c7e5dd96 [0,1,0,1,0,0|2,0,0]=4 19487 B11R1.228 CO[C@@H](C)CN1CCC[C@@H]1C d3e9343771ad872897c13ebbd89e1e8d [0,1,0,1,0,0|2,0,0]=4 19488 B11R1.228 CO[C@@H](C)CN1CCC[C@H]1C 6b5d3f8c2c03a7de33dd5f16437a8fa7 [0,1,0,1,0,0|2,0,0]=4 19489 B11R1.228 CO[C@H](C)CN1CCCC1C 5f8c57d37005f666ecfb88456be31309 [0,1,0,1,0,0|2,0,0]=4 19490 B11R1.228 CO[C@H](C)CN1CCC[C@@H]1C a35baf66efd785ba143a5a4866319a12 [0,1,0,1,0,0|2,0,0]=4 19491 B11R1.228 CO[C@H](C)CN1CCC[C@H]1C 4865b23403579b8ecaab8da854a67f4d [0,1,0,1,0,0|2,0,0]=4 19492 B11R1.228 C[C@@H](CO)CN1CCC[C@@H]1C 4d0dfafa820d495bfad981169122f1e8 [0,1,0,1,0,0|2,0,0]=4 19493 B11R1.228 C[C@@H](CO)CN1CCC[C@H]1C f745024c7aed8865d8f8c664d6df7c62 [0,1,0,1,0,0|2,0,0]=4 19494 B11R1.228 C[C@@H]1CCCN1CC(O)CF 9f013221ecebea986b1a8c0bf0449bb6 [0,1,0,1,0,0|2,0,0]=4 19495 B11R1.228 C[C@@H]1CCCN1CC(O)CO 7c84c20360a7e6485a5e1644349bf896 [0,1,0,1,0,0|2,0,0]=4 19496 B11R1.228 C[C@@H]1CCCN1C[C@@H](O)CO b130fc5639b3ddfc5a81da73ea5d9e6b [0,1,0,1,0,0|2,0,0]=4 19497 B11R1.228 C[C@@H]1CCCN1C[C@H](O)CO 72967a0afd64b019f724d6f8585b09ed [0,1,0,1,0,0|2,0,0]=4 19498 B11R1.228 C[C@H](CO)CN1CCC[C@@H]1C 556d690fb49e1293a5edc7b6eee47131 [0,1,0,1,0,0|2,0,0]=4 19499 B11R1.228 C[C@H](CO)CN1CCC[C@H]1C c2c48ad488640c3a219eb2cf5948912a [0,1,0,1,0,0|2,0,0]=4 19500 B11R1.228 C[C@H]1CCCN1CC(O)CF d96d00e04216d8f18813f4a0ec365341 [0,1,0,1,0,0|2,0,0]=4 19501 B11R1.228 C[C@H]1CCCN1CC(O)CO ab0d3be047978faf9ce1b518dfbcbb3d [0,1,0,1,0,0|2,0,0]=4 19502 B11R1.228 C[C@H]1CCCN1C[C@@H](O)CO a23346e66cf057abae8332bd7d53d807 [0,1,0,1,0,0|2,0,0]=4 19503 B11R1.228 C[C@H]1CCCN1C[C@H](O)CO 44aab8bdaac21f8db3668b5df7849ac7 [0,1,0,1,0,0|2,0,0]=4 19504 B11R1.235 C=C(CC)COCC1CC1C 4277e481446a67f804fce36dafc09473 [0,1,0,1,0,0|0,0,1]=3 19505 B11R1.235 C=C(CC)COC[C@@H]1C[C@@H]1C 301c70544c81e32893bff4fe717fe9b8 [0,1,0,1,0,0|0,0,1]=3 19506 B11R1.235 C=C(CC)COC[C@@H]1C[C@@H]1F 36b70f31b31f0221d315f151930c8be8 [0,1,0,1,0,0|1,0,1]=4 19507 B11R1.235 C=C(CC)COC[C@@H]1C[C@H]1C 86b771189b868d1185b764b5bfcfe844 [0,1,0,1,0,0|0,0,1]=3 19508 B11R1.235 C=C(CC)COC[C@@H]1C[C@H]1F c19710bd73ae92fc746ab679518cf77e [0,1,0,1,0,0|1,0,1]=4 19509 B11R1.235 C=C(CC)COC[C@H]1C[C@@H]1C 919203064e62d4f6a00c830ea1f893ca [0,1,0,1,0,0|0,0,1]=3 19510 B11R1.235 C=C(CC)COC[C@H]1C[C@@H]1F ae4c0f604ddaa73bb92cda676cb7f715 [0,1,0,1,0,0|1,0,1]=4 19511 B11R1.235 C=C(CC)COC[C@H]1C[C@H]1F c6547291d54980e3abadcadae3033770 [0,1,0,1,0,0|1,0,1]=4 19512 B11R1.235 C=C(COCC1CC1C)OC 1b4e913b00e8a4e5b6b46a71a4326372 [0,1,0,1,0,0|1,0,1]=4 19513 B11R1.235 C=C(COC[C@@H]1C[C@@H]1C)OC 098d1c5bfc545013b74e454a716109dc [0,1,0,1,0,0|1,0,1]=4 19514 B11R1.235 C=C(COC[C@@H]1C[C@H]1C)OC c599e035486b0858ca61eef1bdacf048 [0,1,0,1,0,0|1,0,1]=4 19515 B11R1.235 C=C(COC[C@H]1C[C@@H]1C)OC f859cf0220f7f639029c838fe8c1e113 [0,1,0,1,0,0|1,0,1]=4 19516 B11R1.235 C=C1CC1COCC(C)CC d661dc3fb4d0662302d1eaa39abdbef0 [0,1,0,1,0,0|0,0,2]=4 19517 B11R1.235 C=C1CC1COC[C@@H](C)CC 8d3b9c1690ea90f02dbfc8d9a010f2a4 [0,1,0,1,0,0|0,0,2]=4 19518 B11R1.235 C=C1CC1COC[C@H](C)CC a0315444e2036fd89040d0a13b6bfd0f [0,1,0,1,0,0|0,0,2]=4 19519 B11R1.235 CC(C#N)COCC1CC1C c51bd30022391639c7bc291bf5cc5424 [0,1,0,1,0,0|1,0,1]=4 19520 B11R1.235 CC(C#N)COC[C@@H]1C[C@@H]1C 04396885a2d66b8ffea099597f1a05ea [0,1,0,1,0,0|1,0,1]=4 19521 B11R1.235 CC(C#N)COC[C@@H]1C[C@H]1C c4d6c598d02c4ad0877ee24ae1d5c878 [0,1,0,1,0,0|1,0,1]=4 19522 B11R1.235 CC(C#N)COC[C@H]1C[C@@H]1C c06e19710edb55892d11b0d2644b76e3 [0,1,0,1,0,0|1,0,1]=4 19523 B11R1.235 CC(CO)CCNC1CC1C feccfbae6421f4526317af594e525258 [0,1,0,1,0,0|2,0,0]=4 19524 B11R1.235 CC1CC1COCC(O)CO 018b167e78791be4a638a948ad9c04c0 [0,1,0,1,0,0|1,0,0]=3 19525 B11R1.235 CC1CC1COC[C@@H](O)CO c320af9849e57032e2ad6c4dea039d21 [0,1,0,1,0,0|1,0,0]=3 19526 B11R1.235 CC1CC1COC[C@H](O)CO 4ff1398f59211c14327bf70d7c43fa39 [0,1,0,1,0,0|1,0,0]=3 19527 B11R1.235 CCC(=O)COCC1CC1C 341fed97651fecaab533caa221b634a9 [0,1,0,1,0,0|0,0,1]=3 19528 B11R1.235 CCC(=O)COC[C@@H]1C[C@@H]1C e2c201c46a0ffc0e11d93636eaf8cf55 [0,1,0,1,0,0|0,0,1]=3 19529 B11R1.235 CCC(=O)COC[C@@H]1C[C@@H]1F e62d3e264a5a6e991a91613243a1e2c7 [0,1,0,1,0,0|1,0,1]=4 19530 B11R1.235 CCC(=O)COC[C@@H]1C[C@H]1C 5076f695763d741c90399d9af64b3868 [0,1,0,1,0,0|0,0,1]=3 19531 B11R1.235 CCC(=O)COC[C@@H]1C[C@H]1F 6e957bbc24b6bac8176a15be2b1e971c [0,1,0,1,0,0|1,0,1]=4 19532 B11R1.235 CCC(=O)COC[C@H]1C[C@@H]1C 613029eceb61cc9d4d3840b704651bd1 [0,1,0,1,0,0|0,0,1]=3 19533 B11R1.235 CCC(=O)COC[C@H]1C[C@@H]1F 4b845bb03a22aa4fb67a4c901328d267 [0,1,0,1,0,0|1,0,1]=4 19534 B11R1.235 CCC(=O)COC[C@H]1C[C@H]1F 90ac0c492a26f7b32a70699f754ac9f7 [0,1,0,1,0,0|1,0,1]=4 19535 B11R1.235 CCC(C)CCNC1CC1C b502e488962724bc50d9258c8e54f8ad [0,1,0,1,0,0|1,0,0]=3 19536 B11R1.235 CCC(C)CCN[C@@H]1C[C@H]1F 943b476812e757db461631c43a463173 [0,1,0,1,0,0|2,0,0]=4 19537 B11R1.235 CCC(C)CCN[C@H]1C[C@@H]1F 56ae6305c385038abb368050bb68de8d [0,1,0,1,0,0|2,0,0]=4 19538 B11R1.235 CCC(C)CCN[C@H]1C[C@H]1F adcc0b8228dc536f00591caf9403ab65 [0,1,0,1,0,0|2,0,0]=4 19539 B11R1.235 CCC(C)COCC1CC1C 136d8b53e96d49e99ec1000c7611a9fb [0,1,0,1,0,0|0,0,0]=2 19540 B11R1.235 CCC(C)COC[C@@H]1C[C@@H]1C b4625345e791dbfe9b4985f1360319e9 [0,1,0,1,0,0|0,0,0]=2 19541 B11R1.235 CCC(C)COC[C@@H]1C[C@@H]1F c40cc22116be326479df2286191c716d [0,1,0,1,0,0|1,0,0]=3 19542 B11R1.235 CCC(C)COC[C@@H]1C[C@H]1C 98d3667cf2ad0dfa88da2d5fe957fcdf [0,1,0,1,0,0|0,0,0]=2 19543 B11R1.235 CCC(C)COC[C@@H]1C[C@H]1F 522cd792363e18bd8a9de4667ed42747 [0,1,0,1,0,0|1,0,0]=3 19544 B11R1.235 CCC(C)COC[C@H]1C[C@@H]1C 431f9024824eaef6bfa10d1f35d99496 [0,1,0,1,0,0|0,0,0]=2 19545 B11R1.235 CCC(C)COC[C@H]1C[C@@H]1F 6ba43b9d4d6e339c9ca64348bf84abf3 [0,1,0,1,0,0|1,0,0]=3 19546 B11R1.235 CCC(C)COC[C@H]1C[C@H]1F cbab902b4e873692af4ba3be875d6aa3 [0,1,0,1,0,0|1,0,0]=3 19547 B11R1.235 CCS(=O)CCNC1CC1C aae734290f13901ef0c319c8803fd1b9 [0,1,0,1,0,0|2,0,0]=4 19548 B11R1.235 CC[C@@H](C)COCC1CC1C 7d1a6416161f995acc5330d8e47e1a95 [0,1,0,1,0,0|0,0,0]=2 19549 B11R1.235 CC[C@@H](C)COC[C@@H]1C[C@@H]1C a34239211c77ea01711381a9f0cc1e05 [0,1,0,1,0,0|0,0,0]=2 19550 B11R1.235 CC[C@@H](C)COC[C@@H]1C[C@@H]1F ec3ae9206b4ef17d3460ec39de23a61d [0,1,0,1,0,0|1,0,0]=3 19551 B11R1.235 CC[C@@H](C)COC[C@@H]1C[C@H]1C 5dd08155aef68e79431025f96cbf7b49 [0,1,0,1,0,0|0,0,0]=2 19552 B11R1.235 CC[C@@H](C)COC[C@@H]1C[C@H]1F c566640236ab07c4678696d3cb19e54f [0,1,0,1,0,0|1,0,0]=3 19553 B11R1.235 CC[C@@H](C)COC[C@H]1C[C@@H]1C 9d2a6bd3636e56313085beac6686978b [0,1,0,1,0,0|0,0,0]=2 19554 B11R1.235 CC[C@@H](C)COC[C@H]1C[C@@H]1F c2780f7537f37d64aeded3c7df17bd06 [0,1,0,1,0,0|1,0,0]=3 19555 B11R1.235 CC[C@@H](C)COC[C@H]1C[C@H]1F 849133517798953723757538923226ec [0,1,0,1,0,0|1,0,0]=3 19556 B11R1.235 CC[C@H](C)COCC1CC1C 763a992e20ecec85157da9ad0dd67c55 [0,1,0,1,0,0|0,0,0]=2 19557 B11R1.235 CC[C@H](C)COC[C@@H]1C[C@@H]1C 658416657affe013afd924d5f77239a8 [0,1,0,1,0,0|0,0,0]=2 19558 B11R1.235 CC[C@H](C)COC[C@@H]1C[C@@H]1F 443c1b02a379e0dc23c475225e5505aa [0,1,0,1,0,0|1,0,0]=3 19559 B11R1.235 CC[C@H](C)COC[C@@H]1C[C@H]1C 2e97b0aa416dceb5df23f8a80cb17551 [0,1,0,1,0,0|0,0,0]=2 19560 B11R1.235 CC[C@H](C)COC[C@@H]1C[C@H]1F b060941b21dd493ebf219a1b47c04f92 [0,1,0,1,0,0|1,0,0]=3 19561 B11R1.235 CC[C@H](C)COC[C@H]1C[C@@H]1C 242b94f9b4f7a2af0761b0fb25130669 [0,1,0,1,0,0|0,0,0]=2 19562 B11R1.235 CC[C@H](C)COC[C@H]1C[C@@H]1F 71904ab1f39c8dc7e50b2399c3a81a34 [0,1,0,1,0,0|1,0,0]=3 19563 B11R1.235 CC[C@H](C)COC[C@H]1C[C@H]1F 657ae7eddf9c0a2ec12d70f96fd2fbb3 [0,1,0,1,0,0|1,0,0]=3 19564 B11R1.235 CNC(=O)COCC1CC1C 16cf689d627d0566a2897ddc4b5124d7 [0,1,0,1,0,0|1,0,1]=4 19565 B11R1.235 CNC(=O)COC[C@@H]1C[C@@H]1C af2cfc27d38afe12763114788e577deb [0,1,0,1,0,0|1,0,1]=4 19566 B11R1.235 CNC(=O)COC[C@@H]1C[C@H]1C 4a81f9115ce6b0e51160bee62009bec6 [0,1,0,1,0,0|1,0,1]=4 19567 B11R1.235 CNC(=O)COC[C@H]1C[C@@H]1C 096e661f42e24fbe25d9339f47852150 [0,1,0,1,0,0|1,0,1]=4 19568 B11R1.235 COC(=O)COCC1CC1C 642422785b13dfbc2a58fed7d26da21a [0,1,0,1,0,0|1,0,1]=4 19569 B11R1.235 COC(=O)COC[C@@H]1C[C@@H]1C ac81e2d9e5c9300b8a4f5b0a0b55d590 [0,1,0,1,0,0|1,0,1]=4 19570 B11R1.235 COC(=O)COC[C@@H]1C[C@H]1C 0e57680fa8952696ce0012ec8117c7ed [0,1,0,1,0,0|1,0,1]=4 19571 B11R1.235 COC(=O)COC[C@H]1C[C@@H]1C f7f3e3103956f375d92f46e823eb60c6 [0,1,0,1,0,0|1,0,1]=4 19572 B11R1.235 COC(C)COCC1CC1C 4b804b3a6afeb8b9a73dc4fc5acb85b2 [0,1,0,1,0,0|1,0,0]=3 19573 B11R1.235 COC(C)COC[C@@H]1C[C@@H]1C e6f1d59c36f540167d7f8c86fc356970 [0,1,0,1,0,0|1,0,0]=3 19574 B11R1.235 COC(C)COC[C@@H]1C[C@@H]1F 166df9c268fd50b6b9d6012559054197 [0,1,0,1,0,0|2,0,0]=4 19575 B11R1.235 COC(C)COC[C@@H]1C[C@H]1C ddfedf69100b61bd4162e46c56099ebe [0,1,0,1,0,0|1,0,0]=3 19576 B11R1.235 COC(C)COC[C@@H]1C[C@H]1F 360847ca4095a80a5daf2057799ded5a [0,1,0,1,0,0|2,0,0]=4 19577 B11R1.235 COC(C)COC[C@H]1C[C@@H]1C a5c456f585d31da36b8959226db80b14 [0,1,0,1,0,0|1,0,0]=3 19578 B11R1.235 COC(C)COC[C@H]1C[C@@H]1F 881b3fdcd0c254c8e970c9d588315dbc [0,1,0,1,0,0|2,0,0]=4 19579 B11R1.235 COC(C)COC[C@H]1C[C@H]1F a2aab6054eb1352085d3ca5a12c8b5ad [0,1,0,1,0,0|2,0,0]=4 19580 B11R1.235 CO[C@@H](C)COCC1CC1C 624f73656dc4e74cfce0cbed4612fba2 [0,1,0,1,0,0|1,0,0]=3 19581 B11R1.235 CO[C@@H](C)COC[C@@H]1C[C@@H]1C 5658b016451a399b8f25f611fac4f45d [0,1,0,1,0,0|1,0,0]=3 19582 B11R1.235 CO[C@@H](C)COC[C@@H]1C[C@@H]1F 7ea7b802742f63d0037e7f1dad4935f6 [0,1,0,1,0,0|2,0,0]=4 19583 B11R1.235 CO[C@@H](C)COC[C@@H]1C[C@H]1C 144c6ab44af84949ec20fdbdcc8af44e [0,1,0,1,0,0|1,0,0]=3 19584 B11R1.235 CO[C@@H](C)COC[C@@H]1C[C@H]1F d5a4973109c59ae6bd2883b4ec10f666 [0,1,0,1,0,0|2,0,0]=4 19585 B11R1.235 CO[C@@H](C)COC[C@H]1C[C@@H]1C 082bb774ffdb35ddf8c047d8378c2ab4 [0,1,0,1,0,0|1,0,0]=3 19586 B11R1.235 CO[C@@H](C)COC[C@H]1C[C@@H]1F e472d3a42093116b27739729765fb608 [0,1,0,1,0,0|2,0,0]=4 19587 B11R1.235 CO[C@@H](C)COC[C@H]1C[C@H]1F 5ed3b3ace33921b842f164caad908ee1 [0,1,0,1,0,0|2,0,0]=4 19588 B11R1.235 CO[C@H](C)COCC1CC1C 02e45b7b90fc5f0c5f97c0bd051fe216 [0,1,0,1,0,0|1,0,0]=3 19589 B11R1.235 CO[C@H](C)COC[C@@H]1C[C@@H]1C 82da664eba8613b046cb82dc1765f656 [0,1,0,1,0,0|1,0,0]=3 19590 B11R1.235 CO[C@H](C)COC[C@@H]1C[C@@H]1F d10abd4cae82e0550b7d2da4c3844d27 [0,1,0,1,0,0|2,0,0]=4 19591 B11R1.235 CO[C@H](C)COC[C@@H]1C[C@H]1C 5e8d11c0b023602b02a25563bbd17bf3 [0,1,0,1,0,0|1,0,0]=3 19592 B11R1.235 CO[C@H](C)COC[C@@H]1C[C@H]1F 60f3f17c083c1ccac733c83c5f5092bb [0,1,0,1,0,0|2,0,0]=4 19593 B11R1.235 CO[C@H](C)COC[C@H]1C[C@@H]1C 83b34388c6a1201d354ac9265832991a [0,1,0,1,0,0|1,0,0]=3 19594 B11R1.235 CO[C@H](C)COC[C@H]1C[C@@H]1F b685f8fb8ce00acbd330d89fa67e473f [0,1,0,1,0,0|2,0,0]=4 19595 B11R1.235 CO[C@H](C)COC[C@H]1C[C@H]1F fb1b13824df5c0cb9a96beaba8f80036 [0,1,0,1,0,0|2,0,0]=4 19596 B11R1.235 C[C@@H]1C[C@H]1COCC(O)CO 9facf1562cc4d2c9cc1c06e59331065f [0,1,0,1,0,0|1,0,0]=3 19597 B11R1.235 C[C@@H]1C[C@H]1COC[C@@H](O)CO 8066cdb6e78e8e6cfef23751b3575676 [0,1,0,1,0,0|1,0,0]=3 19598 B11R1.235 C[C@@H]1C[C@H]1COC[C@H](O)CO 708146aec3532d46f2fdc03705d9f1b0 [0,1,0,1,0,0|1,0,0]=3 19599 B11R1.235 C[C@H]1C[C@@H]1COCC(O)CO 6f0e68b7e916cd771878a0b561785144 [0,1,0,1,0,0|1,0,0]=3 19600 B11R1.235 C[C@H]1C[C@@H]1COC[C@@H](O)CO 023a4d7509b4b47d55686c811805ce8c [0,1,0,1,0,0|1,0,0]=3 19601 B11R1.235 C[C@H]1C[C@@H]1COC[C@H](O)CO 723d02c6c6307c66335bafc8255c2ff7 [0,1,0,1,0,0|1,0,0]=3 19602 B11R1.235 C[C@H]1C[C@H]1COCC(O)CO 78e12e90efc42bb807f36734645fcef7 [0,1,0,1,0,0|1,0,0]=3 19603 B11R1.235 C[C@H]1C[C@H]1COC[C@@H](O)CO 3c002726d6b339e858da75d1ad169879 [0,1,0,1,0,0|1,0,0]=3 19604 B11R1.235 C[C@H]1C[C@H]1COC[C@H](O)CO cdde5480870ab26c1e1fa178b8af759a [0,1,0,1,0,0|1,0,0]=3 19605 B11R1.235 OCC(O)COC[C@@H]1C[C@@H]1F 49ba6640e6b01a3406a205e82752d74c [0,1,0,1,0,0|2,0,0]=4 19606 B11R1.235 OCC(O)COC[C@@H]1C[C@H]1F 42c77aa21062baa57b44b92f6b581b3c [0,1,0,1,0,0|2,0,0]=4 19607 B11R1.235 OCC(O)COC[C@H]1C[C@@H]1F 747d6c11f7f5f49a9ebaeefe685ec79d [0,1,0,1,0,0|2,0,0]=4 19608 B11R1.235 OCC(O)COC[C@H]1C[C@H]1F 0f3f4c6d0ed265c7be052bc2f53a7ece [0,1,0,1,0,0|2,0,0]=4 19609 B11R1.235 OC[C@@H](O)COC[C@@H]1C[C@@H]1F 37377fe12fd0542e28d38b71538c5eca [0,1,0,1,0,0|2,0,0]=4 19610 B11R1.235 OC[C@@H](O)COC[C@@H]1C[C@H]1F c71560226f2db582f20f2f5a855f29ff [0,1,0,1,0,0|2,0,0]=4 19611 B11R1.235 OC[C@@H](O)COC[C@H]1C[C@@H]1F 1211b38b8802e325e7b8ed97994865b8 [0,1,0,1,0,0|2,0,0]=4 19612 B11R1.235 OC[C@@H](O)COC[C@H]1C[C@H]1F 743bf5088635c76381fd95172c887323 [0,1,0,1,0,0|2,0,0]=4 19613 B11R1.235 OC[C@H](O)COC[C@@H]1C[C@@H]1F 3146e9e8d53bbfea57ee015a2832dbaa [0,1,0,1,0,0|2,0,0]=4 19614 B11R1.235 OC[C@H](O)COC[C@@H]1C[C@H]1F 77d332a4461045138d0d534abc8edd08 [0,1,0,1,0,0|2,0,0]=4 19615 B11R1.235 OC[C@H](O)COC[C@H]1C[C@@H]1F 2b980466a33ec6330a4ed4d1455a4bee [0,1,0,1,0,0|2,0,0]=4 19616 B11R1.235 OC[C@H](O)COC[C@H]1C[C@H]1F eb65551a0a37b9d7c545a3cb6576d3e2 [0,1,0,1,0,0|2,0,0]=4 19617 B11R1.236 BrCC(Br)CNCC1CCC1 a9364a28ffc4425dcb872c166f319d7d [0,1,0,1,0,0|2,0,0]=4 19618 B11R1.236 BrCC(Br)COCC1CCC1 bd012e442f783e175cf66d8586822b3b [0,1,0,1,0,0|1,0,0]=3 19619 B11R1.236 BrCC(Br)COCC1CCO1 cc0ced349d62679510787251cbc58af8 [0,1,0,1,0,0|2,0,0]=4 19620 B11R1.236 BrCC(Br)COCC1COC1 a7a2d81d11e1adc0de215897ea479282 [0,1,0,1,0,0|2,0,0]=4 19621 B11R1.236 BrCC(Br)COC[C@@H]1CCO1 d10e226dcf29a7f6bccc607a2a42caa4 [0,1,0,1,0,0|2,0,0]=4 19622 B11R1.236 BrCC(Br)COC[C@H]1CCO1 1b3ff5a756d4710bb86d4afeaab3cd05 [0,1,0,1,0,0|2,0,0]=4 19623 B11R1.236 C=C(CC)CNCC1CCC1 92e8d1e3e63dc0b929f54312630ec4e3 [0,1,0,1,0,0|1,0,1]=4 19624 B11R1.236 C=C(CC)COCC1CCC1 03d6a339a78aca369a9c09e883e8aae8 [0,1,0,1,0,0|0,0,1]=3 19625 B11R1.236 C=C(CC)COCC1CCO1 5f8decb7160b35df991f0a9db7506466 [0,1,0,1,0,0|1,0,1]=4 19626 B11R1.236 C=C(CC)COCC1COC1 f6f287ffa897ac5344fc1e1f183985d2 [0,1,0,1,0,0|1,0,1]=4 19627 B11R1.236 C=C(CC)COCC1CSC1 6a783085abcd330f4b189443baff1ef5 [0,1,0,1,0,0|1,0,1]=4 19628 B11R1.236 C=C(CC)COC[C@@H]1CCO1 bb906c505d20a74c30bba0ecd60e4b0a [0,1,0,1,0,0|1,0,1]=4 19629 B11R1.236 C=C(CC)COC[C@H]1CCO1 7c428289f9d1583ea8b5e3424af8d853 [0,1,0,1,0,0|1,0,1]=4 19630 B11R1.236 C=C(COCC1CCC1)OC fc545c6d9c2c4f26e24a2210887023ab [0,1,0,1,0,0|1,0,1]=4 19631 B11R1.236 C=CC(C)COCC1CCC1 59abdb42ac202b472177e9bc3ba5f8ae [0,1,0,1,0,0|0,0,2]=4 19632 B11R1.236 CC(C#N)COCC1CCC1 cea89713cc13684f219c95015c127664 [0,1,0,1,0,0|1,0,1]=4 19633 B11R1.236 CC(CO)CCNC1CCC1 393a7243ef1e06a88725fe352e681592 [0,1,0,1,0,0|2,0,0]=4 19634 B11R1.236 CC(CO)CNCC1CCC1 bc7d44d443d82415c7297d78abd18845 [0,1,0,1,0,0|2,0,0]=4 19635 B11R1.236 CCC(=O)CNCC1CCC1 183f4109e6d944e22d20d309357e6d59 [0,1,0,1,0,0|1,0,1]=4 19636 B11R1.236 CCC(=O)COCC1CCC1 5f486bb50acd63102a1f476c945f55d9 [0,1,0,1,0,0|0,0,1]=3 19637 B11R1.236 CCC(=O)COCC1CCO1 e85e05b7225d20da8d3ab64e6f2a9ce0 [0,1,0,1,0,0|1,0,1]=4 19638 B11R1.236 CCC(=O)COCC1COC1 018525f0e719767567074303f1e113a8 [0,1,0,1,0,0|1,0,1]=4 19639 B11R1.236 CCC(=O)COCC1CSC1 dd53c21b903df2d6ea03e15e69ac84c2 [0,1,0,1,0,0|1,0,1]=4 19640 B11R1.236 CCC(=O)COC[C@@H]1CCO1 da590a1749b8a21039d2578e78c9e356 [0,1,0,1,0,0|1,0,1]=4 19641 B11R1.236 CCC(=O)COC[C@H]1CCO1 56659b3a479e47931004d2abe6b48014 [0,1,0,1,0,0|1,0,1]=4 19642 B11R1.236 CCC(=O)OCOC1CCC1 b0693e1f9834616d9c4fe44a72dc7190 [0,1,0,1,0,0|1,0,1]=4 19643 B11R1.236 CCC(C)CCNC1CCC1 8851af5689f391e658cb90e302da681f [0,1,0,1,0,0|1,0,0]=3 19644 B11R1.236 CCC(C)CCNC1COC1 8afd47f0bef79c96258b223e5c095b10 [0,1,0,1,0,0|2,0,0]=4 19645 B11R1.236 CCC(C)CCOC1CCC1 94a760f24810232cc14e2ab66a3fd22a [0,1,0,1,0,0|0,0,0]=2 19646 B11R1.236 CCC(C)CCOC1COC1 2698580d622e4e6521cf291889eee13d [0,1,0,1,0,0|1,0,0]=3 19647 B11R1.236 CCC(C)CCOC1CSC1 9c5145b71ef3de8c13004467c762375c [0,1,0,1,0,0|1,0,0]=3 19648 B11R1.236 CCC(C)CNCC1CCC1 269276538c193e3bc7908070b2d3093c [0,1,0,1,0,0|1,0,0]=3 19649 B11R1.236 CCC(C)CNCC1CCO1 8e115631c01d6b94fc97e090923cd3a2 [0,1,0,1,0,0|2,0,0]=4 19650 B11R1.236 CCC(C)CNCC1COC1 b2f8da384907a4187a10046ddd84fd12 [0,1,0,1,0,0|2,0,0]=4 19651 B11R1.236 CCC(C)CNC[C@@H]1CCO1 e2ba170afe685aa57c8f1c3358a2fe5d [0,1,0,1,0,0|2,0,0]=4 19652 B11R1.236 CCC(C)CNC[C@H]1CCO1 01c528a42664bb18aa3054888b7d3d5d [0,1,0,1,0,0|2,0,0]=4 19653 B11R1.236 CCC(C)COCC1CCC1 ed82b2c079d5e31578f58a432b8275ca [0,1,0,1,0,0|0,0,0]=2 19654 B11R1.236 CCC(C)COCC1CCO1 83483488509acbf009c16bda5eacd04e [0,1,0,1,0,0|1,0,0]=3 19655 B11R1.236 CCC(C)COCC1COC1 b3785822412efdd73c846e4d410fcd38 [0,1,0,1,0,0|1,0,0]=3 19656 B11R1.236 CCC(C)COCC1CSC1 114d171a81f03bf4e2419d584ff73d04 [0,1,0,1,0,0|1,0,0]=3 19657 B11R1.236 CCC(C)COC[C@@H]1CCO1 e9e1cc4df8edc25910bd2de11b154f34 [0,1,0,1,0,0|1,0,0]=3 19658 B11R1.236 CCC(C)COC[C@H]1CCO1 e3421e3a42bf83c24bc15e01fc53431f [0,1,0,1,0,0|1,0,0]=3 19659 B11R1.236 CCC(C)NCCC1CCC1 1f1dc7bbbc06525d195752b80394ee94 [0,1,0,1,0,0|2,0,0]=4 19660 B11R1.236 CCC(C)OCCC1CCC1 c6c7f08abd77b066f97963021774cf0f [0,1,0,1,0,0|2,0,0]=4 19661 B11R1.236 CCC(O)CNCC1CCC1 fa4c6a63cf13923a2dc993643a9da92c [0,1,0,1,0,0|1,0,0]=3 19662 B11R1.236 CCC(O)CNCC1CCO1 f97289a205ce0eff3247b48efe273496 [0,1,0,1,0,0|2,0,0]=4 19663 B11R1.236 CCC(O)CNCC1COC1 cee696cd9dd03cedd48e326862efffe7 [0,1,0,1,0,0|2,0,0]=4 19664 B11R1.236 CCC(O)CNC[C@@H]1CCO1 bf0886b92637da5f4b7920a9911da6a9 [0,1,0,1,0,0|2,0,0]=4 19665 B11R1.236 CCC(O)CNC[C@H]1CCO1 c7931605989b36b1f844063ba498ee8d [0,1,0,1,0,0|2,0,0]=4 19666 B11R1.236 CCC(S)CCOC1CCC1 ed26ad5d4d17f362ad51d45aa6cd16ab [0,1,0,1,0,0|0,0,0]=2 19667 B11R1.236 CCC(S)CCOC1COC1 f03a227575ca12eab1409c9e42a9f4bc [0,1,0,1,0,0|1,0,0]=3 19668 B11R1.236 CCN(C)CCOC1CCC1 b0d1e067dc3720ea434da751fb13f69b [0,1,0,1,0,0|1,0,0]=3 19669 B11R1.236 CCS(=O)CCNC1CCC1 4c5277aa12e557edf2599e50baea365c [0,1,0,1,0,0|2,0,0]=4 19670 B11R1.236 CCS(=O)CCOC1CCC1 312d79a240d587c6dbcfdf5616c252e3 [0,1,0,1,0,0|1,0,0]=3 19671 B11R1.236 CCS(=O)CCOC1COC1 46a4ff7193f74cbe8c8d8d8718521d27 [0,1,0,1,0,0|2,0,0]=4 19672 B11R1.236 CCS(=O)CCOC1CSC1 9585c69bec2fedb5648e196cf7fef940 [0,1,0,1,0,0|2,0,0]=4 19673 B11R1.236 CC[C@@H](C)CNCC1CCC1 76d894c86f7708904224ef6e61e27b98 [0,1,0,1,0,0|1,0,0]=3 19674 B11R1.236 CC[C@@H](C)CNCC1CCO1 35eefc4b538c8f6d5050c4fa08ae0fb5 [0,1,0,1,0,0|2,0,0]=4 19675 B11R1.236 CC[C@@H](C)CNCC1COC1 8e39245cc4d7a5a701224d2eed41b7d2 [0,1,0,1,0,0|2,0,0]=4 19676 B11R1.236 CC[C@@H](C)CNC[C@@H]1CCO1 40f9eac94442d3be0f55d876ad49baf1 [0,1,0,1,0,0|2,0,0]=4 19677 B11R1.236 CC[C@@H](C)CNC[C@H]1CCO1 f9ef5e0995c40d2484372939241c5b62 [0,1,0,1,0,0|2,0,0]=4 19678 B11R1.236 CC[C@@H](C)COCC1CCC1 3e0ef032760b923ea6a0eeffab423402 [0,1,0,1,0,0|0,0,0]=2 19679 B11R1.236 CC[C@@H](C)COCC1CCO1 658828ed4c09bde3962f4f90256cbaf8 [0,1,0,1,0,0|1,0,0]=3 19680 B11R1.236 CC[C@@H](C)COCC1COC1 bb47b8df38e3387c44762173c36872a7 [0,1,0,1,0,0|1,0,0]=3 19681 B11R1.236 CC[C@@H](C)COCC1CSC1 3f4595cd39950a3a95ae0fab014cb8a7 [0,1,0,1,0,0|1,0,0]=3 19682 B11R1.236 CC[C@@H](C)COC[C@@H]1CCO1 3ae9defd443ae0275798891ca69a028c [0,1,0,1,0,0|1,0,0]=3 19683 B11R1.236 CC[C@@H](C)COC[C@H]1CCO1 e1a5d39f530305958b3e283882117d3c [0,1,0,1,0,0|1,0,0]=3 19684 B11R1.236 CC[C@@H](C)NCCC1CCC1 4c7f6b504ef06d80c26402ec80ca5e7a [0,1,0,1,0,0|2,0,0]=4 19685 B11R1.236 CC[C@@H](C)OCCC1CCC1 a812185f233b58de54bb67d457c08a0a [0,1,0,1,0,0|2,0,0]=4 19686 B11R1.236 CC[C@@H](O)CNCC1CCC1 17f8bc6d8695502f968948e0cf4feda2 [0,1,0,1,0,0|1,0,0]=3 19687 B11R1.236 CC[C@@H](O)CNCC1CCO1 5eed548cf54320cf2aa0ac580e352813 [0,1,0,1,0,0|2,0,0]=4 19688 B11R1.236 CC[C@@H](O)CNCC1COC1 e50e7ba372d5f5f9910370449107d47c [0,1,0,1,0,0|2,0,0]=4 19689 B11R1.236 CC[C@@H](O)CNC[C@@H]1CCO1 1835592be71dedc59aadd6d672c9b79a [0,1,0,1,0,0|2,0,0]=4 19690 B11R1.236 CC[C@@H](O)CNC[C@H]1CCO1 1f3a46b8276c34b1b8bd13ae3627dd90 [0,1,0,1,0,0|2,0,0]=4 19691 B11R1.236 CC[C@H](C)CCOC1CCC1 a99e068a053ba9de580b0086a0b5a5ba [0,1,0,1,0,0|0,0,0]=2 19692 B11R1.236 CC[C@H](C)CCOC1COC1 6e328db75116677fbb19d96e36e37aed [0,1,0,1,0,0|1,0,0]=3 19693 B11R1.236 CC[C@H](C)CNCC1CCC1 97d6e8bc513913718721347dc8fa24ae [0,1,0,1,0,0|1,0,0]=3 19694 B11R1.236 CC[C@H](C)CNCC1CCO1 f962c43a9efb699d0c582cb68f7496e9 [0,1,0,1,0,0|2,0,0]=4 19695 B11R1.236 CC[C@H](C)CNCC1COC1 627783b27a1969223dcc046084c483ec [0,1,0,1,0,0|2,0,0]=4 19696 B11R1.236 CC[C@H](C)CNC[C@@H]1CCO1 639e1ce3d52002e9baff1b1ab142f395 [0,1,0,1,0,0|2,0,0]=4 19697 B11R1.236 CC[C@H](C)CNC[C@H]1CCO1 ba328da2f170b325d71f9d2ff8bdc3f9 [0,1,0,1,0,0|2,0,0]=4 19698 B11R1.236 CC[C@H](C)COCC1CCC1 0f50822604e421ae224821f846d68fb2 [0,1,0,1,0,0|0,0,0]=2 19699 B11R1.236 CC[C@H](C)COCC1CCO1 e76b90edd81fe310b36ba288e1aaf759 [0,1,0,1,0,0|1,0,0]=3 19700 B11R1.236 CC[C@H](C)COCC1COC1 4724eeef088fb87965bd438c45460b3f [0,1,0,1,0,0|1,0,0]=3 19701 B11R1.236 CC[C@H](C)COCC1CSC1 80fbec0da49d518ab6db3a52c493a105 [0,1,0,1,0,0|1,0,0]=3 19702 B11R1.236 CC[C@H](C)COC[C@@H]1CCO1 b809d15d48666956fd4d68b07caf3e44 [0,1,0,1,0,0|1,0,0]=3 19703 B11R1.236 CC[C@H](C)COC[C@H]1CCO1 f348bf19211a3f5e33ef25c9ee21837f [0,1,0,1,0,0|1,0,0]=3 19704 B11R1.236 CC[C@H](C)NCCC1CCC1 949ae86a8d298ae8638a529f2cb4bd05 [0,1,0,1,0,0|2,0,0]=4 19705 B11R1.236 CC[C@H](C)OCCC1CCC1 bb61ce69638a26a69dfe03a3ae1e8ceb [0,1,0,1,0,0|2,0,0]=4 19706 B11R1.236 CNC(=O)CCOC1CCC1 91ba0a6d32cbc107e6cd1a3cf7f871fe [0,1,0,1,0,0|1,0,1]=4 19707 B11R1.236 CNC(=O)COCC1CCC1 f3fd1c458a7c6007a45597f63fab6c82 [0,1,0,1,0,0|1,0,1]=4 19708 B11R1.236 COC(=O)CCOC1CCC1 a7f60890365a15910d6ce48e4d80abc2 [0,1,0,1,0,0|1,0,1]=4 19709 B11R1.236 COC(=O)COCC1CCC1 4ff67b75b106ed4edba88ae986d451f1 [0,1,0,1,0,0|1,0,1]=4 19710 B11R1.236 COC(C)CCOC1CCC1 8afbdd78c61d7b05d0d156fafa42d783 [0,1,0,1,0,0|1,0,0]=3 19711 B11R1.236 COC(C)CCOC1COC1 d180ad379852eade79d0345864c9032d [0,1,0,1,0,0|2,0,0]=4 19712 B11R1.236 COC(C)CNCC1CCC1 0d1a101afc52549539d7ce94b4291e48 [0,1,0,1,0,0|2,0,0]=4 19713 B11R1.236 COC(C)COCC1CCC1 f9510b7a0f45e40690054c20e02db95c [0,1,0,1,0,0|1,0,0]=3 19714 B11R1.236 COC(C)COCC1CCO1 91b8777e367b7955891f8962c2b124d8 [0,1,0,1,0,0|2,0,0]=4 19715 B11R1.236 COC(C)COCC1COC1 38c86a255fe1b8e59759bdc41702ffc3 [0,1,0,1,0,0|2,0,0]=4 19716 B11R1.236 COC(C)COCC1CSC1 b9fbf9eb4ec74b4a885c19cb4a725adb [0,1,0,1,0,0|2,0,0]=4 19717 B11R1.236 COC(C)COC[C@@H]1CCO1 415067298ebc4092c248df4372a48b6f [0,1,0,1,0,0|2,0,0]=4 19718 B11R1.236 COC(C)COC[C@H]1CCO1 5c46da4124fdaaf7e383b29845822612 [0,1,0,1,0,0|2,0,0]=4 19719 B11R1.236 CO[C@@H](C)CNCC1CCC1 310a8bc75f35462c7feb230cfedc40fa [0,1,0,1,0,0|2,0,0]=4 19720 B11R1.236 CO[C@@H](C)COCC1CCC1 e7e6b1e138c61698a4151458eadefb6b [0,1,0,1,0,0|1,0,0]=3 19721 B11R1.236 CO[C@@H](C)COCC1CCO1 e9ab6b07358e665072236cc9ae6288b0 [0,1,0,1,0,0|2,0,0]=4 19722 B11R1.236 CO[C@@H](C)COCC1COC1 0d24ffb34b94c3079705052331a4344d [0,1,0,1,0,0|2,0,0]=4 19723 B11R1.236 CO[C@@H](C)COCC1CSC1 d14aebea6b472064a497d936638a2198 [0,1,0,1,0,0|2,0,0]=4 19724 B11R1.236 CO[C@@H](C)COC[C@@H]1CCO1 2d13c3abee2ae28cf3ac22a768ffa42f [0,1,0,1,0,0|2,0,0]=4 19725 B11R1.236 CO[C@@H](C)COC[C@H]1CCO1 83934557e7db78b3f4a20a3544700f96 [0,1,0,1,0,0|2,0,0]=4 19726 B11R1.236 CO[C@H](C)CNCC1CCC1 7636d13dde08e2c5bd3adccdf6af91ca [0,1,0,1,0,0|2,0,0]=4 19727 B11R1.236 CO[C@H](C)COCC1CCC1 b661af9a4bbd6780d4408ccb661ee0ae [0,1,0,1,0,0|1,0,0]=3 19728 B11R1.236 CO[C@H](C)COCC1CCO1 4321df2d7528ea5d411774fb92a92d8b [0,1,0,1,0,0|2,0,0]=4 19729 B11R1.236 CO[C@H](C)COCC1COC1 d27c82596bd99a0641e14f7610c31df4 [0,1,0,1,0,0|2,0,0]=4 19730 B11R1.236 CO[C@H](C)COCC1CSC1 9fd24c6a302959a699a0cab3b4c233a1 [0,1,0,1,0,0|2,0,0]=4 19731 B11R1.236 CO[C@H](C)COC[C@@H]1CCO1 6e53208de3772548aa53d4db017837ae [0,1,0,1,0,0|2,0,0]=4 19732 B11R1.236 CO[C@H](C)COC[C@H]1CCO1 8ee03312141f821ee03f3afc8d081f85 [0,1,0,1,0,0|2,0,0]=4 19733 B11R1.236 C[C@@H](CO)CCNC1CCC1 fe1d4c4d1d569e6c3493e15c9b3128c7 [0,1,0,1,0,0|2,0,0]=4 19734 B11R1.236 C[C@@H](CO)CNCC1CCC1 e4e01df41497f7bd28a79bff8c0ea840 [0,1,0,1,0,0|2,0,0]=4 19735 B11R1.236 C[C@H](CO)CNCC1CCC1 49c706f735aca9130955a091254c9262 [0,1,0,1,0,0|2,0,0]=4 19736 B11R1.236 ClCC(Cl)COCC1CCC1 a119617fb18fac879e179c0068bcbc53 [0,1,0,1,0,0|1,0,0]=3 19737 B11R1.236 ClCC(Cl)COCC1CCO1 eb824b37edf6cbbe40856df0d3a65781 [0,1,0,1,0,0|2,0,0]=4 19738 B11R1.236 ClCC(Cl)COCC1COC1 091b8b6a5a6ea566c6863a9a0a3008e9 [0,1,0,1,0,0|2,0,0]=4 19739 B11R1.236 ClCC(Cl)COC[C@@H]1CCO1 fc25bb5fc682c4b61ff22ab142282c0b [0,1,0,1,0,0|2,0,0]=4 19740 B11R1.236 ClCC(Cl)COC[C@H]1CCO1 3093555983c231ae67604f2eb506389c [0,1,0,1,0,0|2,0,0]=4 19741 B11R1.236 OC(CF)CNCC1CCC1 1957a2b911236d6ffa1cfd5165d1aee2 [0,1,0,1,0,0|2,0,0]=4 19742 B11R1.236 OCC(F)CNCC1CCC1 02af159b762ec55de5cd1cabb2b657b0 [0,1,0,1,0,0|2,0,0]=4 19743 B11R1.236 OCC(O)CCNC1CCC1 dfd40e760656037b49160ff87223f9a8 [0,1,0,1,0,0|2,0,0]=4 19744 B11R1.236 OCC(O)CNCC1CCC1 790c7c33e9801a6268b15940b652d465 [0,1,0,1,0,0|2,0,0]=4 19745 B11R1.236 OCC(O)COCC1CCC1 e1d59d96c2fcb5e62cc4059c6100d386 [0,1,0,1,0,0|1,0,0]=3 19746 B11R1.236 OCC(O)COCC1CCO1 7fa05ebfe53567468217e8368f991c7b [0,1,0,1,0,0|2,0,0]=4 19747 B11R1.236 OCC(O)COCC1COC1 1296bbb39e1f0b7333374a46d13c8aff [0,1,0,1,0,0|2,0,0]=4 19748 B11R1.236 OCC(O)COCC1CSC1 2402a7d6c351061349874a116bdec127 [0,1,0,1,0,0|2,0,0]=4 19749 B11R1.236 OCC(O)COC[C@@H]1CCO1 430cbab80683266b40ef3dcf88053b71 [0,1,0,1,0,0|2,0,0]=4 19750 B11R1.236 OCC(O)COC[C@H]1CCO1 c2bb7e16bd04e22fb9abb502b1bb75b5 [0,1,0,1,0,0|2,0,0]=4 19751 B11R1.236 OC[C@@H](F)CNCC1CCC1 a6c80fcb42279cbbc56828c83b753ea8 [0,1,0,1,0,0|2,0,0]=4 19752 B11R1.236 OC[C@@H](O)CNCC1CCC1 41c755f05206ab8610b8755465147879 [0,1,0,1,0,0|2,0,0]=4 19753 B11R1.236 OC[C@@H](O)COCC1CCC1 c0d306230b22408f8898d883b9b26b30 [0,1,0,1,0,0|1,0,0]=3 19754 B11R1.236 OC[C@@H](O)COCC1CCO1 3beb25998a9f7b7b39ab63297b3d8a77 [0,1,0,1,0,0|2,0,0]=4 19755 B11R1.236 OC[C@@H](O)COCC1COC1 05c1e759a1d240331ea5427c649224a8 [0,1,0,1,0,0|2,0,0]=4 19756 B11R1.236 OC[C@@H](O)COCC1CSC1 160bcd67de4a66876e4e3db23d763167 [0,1,0,1,0,0|2,0,0]=4 19757 B11R1.236 OC[C@@H](O)COC[C@@H]1CCO1 1b87aee8914cc8225e335392555eb6e5 [0,1,0,1,0,0|2,0,0]=4 19758 B11R1.236 OC[C@@H](O)COC[C@H]1CCO1 296a134a9b272fd2899ab2dcb7ad6cca [0,1,0,1,0,0|2,0,0]=4 19759 B11R1.236 OC[C@H](F)CNCC1CCC1 f0f9500f92819da2c8e0de7078d4c8f4 [0,1,0,1,0,0|2,0,0]=4 19760 B11R1.236 OC[C@H](O)CNCC1CCC1 c6909bd330e67d2fe7c68b70e29169a9 [0,1,0,1,0,0|2,0,0]=4 19761 B11R1.236 OC[C@H](O)COCC1CCC1 0ff25ca1017448ac86fe56c010999f5a [0,1,0,1,0,0|1,0,0]=3 19762 B11R1.236 OC[C@H](O)COCC1CCO1 f58c875d7952f2e2e5f6bba2d073b38a [0,1,0,1,0,0|2,0,0]=4 19763 B11R1.236 OC[C@H](O)COCC1COC1 4633d6bf9a1c8937eac475bb5cb18c22 [0,1,0,1,0,0|2,0,0]=4 19764 B11R1.236 OC[C@H](O)COCC1CSC1 daf88127a28c98af5450d3af28b4e284 [0,1,0,1,0,0|2,0,0]=4 19765 B11R1.236 OC[C@H](O)COC[C@@H]1CCO1 2b9a1bdff65fd905869001b0c85536f4 [0,1,0,1,0,0|2,0,0]=4 19766 B11R1.236 OC[C@H](O)COC[C@H]1CCO1 8a5a1b6ef099133948bd98971f2135cd [0,1,0,1,0,0|2,0,0]=4 19767 B11R1.236 SCC(S)COCC1CCC1 4f354f85a8ed5693f0431aa8bd38c566 [0,1,0,1,0,0|1,0,0]=3 19768 B11R1.236 SCC(S)COCC1CCO1 af0137ba6c2fe8e9b05b792dc9e5ed5d [0,1,0,1,0,0|2,0,0]=4 19769 B11R1.236 SCC(S)COCC1COC1 46a8ebb4e2e2b41ece32d736a78756d6 [0,1,0,1,0,0|2,0,0]=4 19770 B11R1.236 SCC(S)COC[C@@H]1CCO1 5cbcc806c933825941e6a6c9973692ad [0,1,0,1,0,0|2,0,0]=4 19771 B11R1.236 SCC(S)COC[C@H]1CCO1 1c86d8eac7b8dc16f1d21423079abc75 [0,1,0,1,0,0|2,0,0]=4 19772 B11R1.237 BrCC(Br)CNCCC1CC1 ae4f4336d0166e06d77ad3d3f4ea9d6f [0,1,0,1,0,0|2,0,0]=4 19773 B11R1.237 BrCC(Br)COCCC1CC1 faa756af687fc89351b009cea3af4457 [0,1,0,1,0,0|1,0,0]=3 19774 B11R1.237 C=C(CC)CNCCC1CC1 7d624ff87980ebbb8eaac9e261579b35 [0,1,0,1,0,0|1,0,1]=4 19775 B11R1.237 C=C(CC)COCCC1CC1 7ae592cba548b45c02cc9c6124f11c64 [0,1,0,1,0,0|0,0,1]=3 19776 B11R1.237 C=C(CC)COCCN1CC1 d978176a7473c8200254d2c8f4638974 [0,1,0,1,0,0|1,0,1]=4 19777 B11R1.237 C=C(COCCC1CC1)OC f0398fcddcbc472e9a64a0922bffa3b1 [0,1,0,1,0,0|1,0,1]=4 19778 B11R1.237 C=CC(C)COCCC1CC1 15b093d766db674daa91b4732536dad7 [0,1,0,1,0,0|0,0,2]=4 19779 B11R1.237 CC(C#N)COCCC1CC1 aa42bb8689ea10464a13ff4430b1c74a [0,1,0,1,0,0|1,0,1]=4 19780 B11R1.237 CC(CO)CCNCC1CC1 5d420259fd262eaaca2d64d86a8df302 [0,1,0,1,0,0|2,0,0]=4 19781 B11R1.237 CC(CO)CNCCC1CC1 0dfb23b1bbf6b8474999955c456b5680 [0,1,0,1,0,0|2,0,0]=4 19782 B11R1.237 CCC(=O)CNCCC1CC1 a885a7fe4a477980dbdc20e8f12a39e8 [0,1,0,1,0,0|1,0,1]=4 19783 B11R1.237 CCC(=O)COCCC1CC1 83ada89a33409d434e0ff3981e71343e [0,1,0,1,0,0|0,0,1]=3 19784 B11R1.237 CCC(=O)COCCN1CC1 be9c6646ce7dc85f273f187c49f3575d [0,1,0,1,0,0|1,0,1]=4 19785 B11R1.237 CCC(=O)OCOCC1CC1 b37ea5bb71dbf18ba2597a44792ddd61 [0,1,0,1,0,0|1,0,1]=4 19786 B11R1.237 CCC(C)CCCOC1CC1 d825994f62621fe08f9dc02371478b28 [0,1,0,1,0,0|2,0,0]=4 19787 B11R1.237 CCC(C)CCNCC1CC1 d3629a2b2ae10c5747e9cf53414f0aa8 [0,1,0,1,0,0|1,0,0]=3 19788 B11R1.237 CCC(C)CCOCC1CC1 752f2dd8d0d0e9086d7597c60f8fb5db [0,1,0,1,0,0|0,0,0]=2 19789 B11R1.237 CCC(C)CNCCC1CC1 2259f96c26275c827119e4c8fadfa65a [0,1,0,1,0,0|1,0,0]=3 19790 B11R1.237 CCC(C)CNCCN1CC1 b39361d502153bf9f1dcd3a5ec3a3f89 [0,1,0,1,0,0|2,0,0]=4 19791 B11R1.237 CCC(C)COCCC1CC1 095a57961ea9f25d72d82440df146402 [0,1,0,1,0,0|0,0,0]=2 19792 B11R1.237 CCC(C)COCCN1CC1 d06b11fb7222ca74b154e16df77d015d [0,1,0,1,0,0|1,0,0]=3 19793 B11R1.237 CCC(C)OCCCC1CC1 31e24402517ebd92aa55a06815947a72 [0,1,0,1,0,0|2,0,0]=4 19794 B11R1.237 CCC(O)CNCCC1CC1 a46684179c271d7c83d2dba46d197fe2 [0,1,0,1,0,0|1,0,0]=3 19795 B11R1.237 CCC(O)CNCCN1CC1 b5b2616d1ec3a8d5e44dbd2beab06ec8 [0,1,0,1,0,0|2,0,0]=4 19796 B11R1.237 CCC(S)CCOCC1CC1 bf659e8b5dc103e51940dfbada24769e [0,1,0,1,0,0|0,0,0]=2 19797 B11R1.237 CCS(=O)CCNCC1CC1 4fdacd6e55019e43c27d36e8a52400c8 [0,1,0,1,0,0|2,0,0]=4 19798 B11R1.237 CCS(=O)CCOCC1CC1 91b63d80dcc2b88d444489cf535aa79d [0,1,0,1,0,0|1,0,0]=3 19799 B11R1.237 CC[C@@H](C)CNCCC1CC1 1edb060a1f6c5b9a78c68a26888eb248 [0,1,0,1,0,0|1,0,0]=3 19800 B11R1.237 CC[C@@H](C)CNCCN1CC1 3b1420f9791d5aebf9840d3080db401a [0,1,0,1,0,0|2,0,0]=4 19801 B11R1.237 CC[C@@H](C)COCCC1CC1 b7a6983f495f58d8f317a0aa2d4bdba1 [0,1,0,1,0,0|0,0,0]=2 19802 B11R1.237 CC[C@@H](C)COCCN1CC1 c353728d437423a997e86b952b56953a [0,1,0,1,0,0|1,0,0]=3 19803 B11R1.237 CC[C@@H](O)CNCCC1CC1 191310e17f4a8a27a81dbbc23429280f [0,1,0,1,0,0|1,0,0]=3 19804 B11R1.237 CC[C@H](C)CCCOC1CC1 4985ef1a648b0b1ea477cab897083e11 [0,1,0,1,0,0|2,0,0]=4 19805 B11R1.237 CC[C@H](C)CCOCC1CC1 adb8a1895c14fe1de245bae293eed143 [0,1,0,1,0,0|0,0,0]=2 19806 B11R1.237 CC[C@H](C)CNCCC1CC1 34698cf75b5008de843b090b583a52a1 [0,1,0,1,0,0|1,0,0]=3 19807 B11R1.237 CC[C@H](C)CNCCN1CC1 2f9e73cf9f8ea72d98f20c354891753e [0,1,0,1,0,0|2,0,0]=4 19808 B11R1.237 CC[C@H](C)COCCC1CC1 6db1eb9f58d2d8da7e3c54b41e60325e [0,1,0,1,0,0|0,0,0]=2 19809 B11R1.237 CC[C@H](C)COCCN1CC1 d5f5cdf77bf784fbf6aba2cc06f2d783 [0,1,0,1,0,0|1,0,0]=3 19810 B11R1.237 CNC(=O)CCOCC1CC1 c1423c3319f7ce68e274d75751ce68bf [0,1,0,1,0,0|1,0,1]=4 19811 B11R1.237 CNC(=O)COCCC1CC1 b061e2d4cfe5789838e3fa67488b6f33 [0,1,0,1,0,0|1,0,1]=4 19812 B11R1.237 COC(=O)CCOCC1CC1 06fb4c15cedba387b690c0fd3c66e5c6 [0,1,0,1,0,0|1,0,1]=4 19813 B11R1.237 COC(=O)COCCC1CC1 3f5d9037052dd112f065415a5e13b31e [0,1,0,1,0,0|1,0,1]=4 19814 B11R1.237 COC(C)CCOCC1CC1 d96afc2dc528b69efc3091a3ad6d13a3 [0,1,0,1,0,0|1,0,0]=3 19815 B11R1.237 COC(C)CNCCC1CC1 1834519ab2459e1b47f9507018181028 [0,1,0,1,0,0|2,0,0]=4 19816 B11R1.237 COC(C)COCCC1CC1 0631ce9aa698b2f935c19a1f2e0f1768 [0,1,0,1,0,0|1,0,0]=3 19817 B11R1.237 COC(C)COCCN1CC1 f95cb026551e4ea37cbd21cc52626f42 [0,1,0,1,0,0|2,0,0]=4 19818 B11R1.237 CO[C@@H](C)CNCCC1CC1 a2d76be393f418efac03daa786aee694 [0,1,0,1,0,0|2,0,0]=4 19819 B11R1.237 CO[C@@H](C)COCCC1CC1 9571c4e24853486ecd39866bee3b0eaf [0,1,0,1,0,0|1,0,0]=3 19820 B11R1.237 CO[C@@H](C)COCCN1CC1 edd46799b6834c2276e6899820023381 [0,1,0,1,0,0|2,0,0]=4 19821 B11R1.237 CO[C@H](C)CNCCC1CC1 adcf3e9aa469d8f2ef1e4831cf7c7953 [0,1,0,1,0,0|2,0,0]=4 19822 B11R1.237 CO[C@H](C)COCCC1CC1 2902e5240d8809cf172de27749a80cd8 [0,1,0,1,0,0|1,0,0]=3 19823 B11R1.237 CO[C@H](C)COCCN1CC1 589d4b5d821a2cf16def8b50e0df6f84 [0,1,0,1,0,0|2,0,0]=4 19824 B11R1.237 C[C@@H](CO)CCNCC1CC1 794a80b8c3f8ef820153eeb0f05d620b [0,1,0,1,0,0|2,0,0]=4 19825 B11R1.237 C[C@@H](CO)CNCCC1CC1 351ebec72062c02419103f96178dce4b [0,1,0,1,0,0|2,0,0]=4 19826 B11R1.237 C[C@H](CO)CNCCC1CC1 8a4982c86937db1eba1711c4e589728f [0,1,0,1,0,0|2,0,0]=4 19827 B11R1.237 ClCC(Cl)COCCC1CC1 9ff6dea1178bfa3c2bf4705b65943382 [0,1,0,1,0,0|1,0,0]=3 19828 B11R1.237 OC(CF)CNCCC1CC1 d09391d83377bead02d5d70fe7bc8332 [0,1,0,1,0,0|2,0,0]=4 19829 B11R1.237 OCC(F)CNCCC1CC1 815abc8ec3671ea7cb518902de903aa4 [0,1,0,1,0,0|2,0,0]=4 19830 B11R1.237 OCC(O)CCNCC1CC1 9fd1d2356867c24220c65543ace29322 [0,1,0,1,0,0|2,0,0]=4 19831 B11R1.237 OCC(O)CNCCC1CC1 61662ce7f3ada940f053103ce3896049 [0,1,0,1,0,0|2,0,0]=4 19832 B11R1.237 OCC(O)COCCC1CC1 6c31553e004b92b2780218545cccdb4f [0,1,0,1,0,0|1,0,0]=3 19833 B11R1.237 OCC(O)COCCN1CC1 a43b912ca725965c1708c6399bdf3207 [0,1,0,1,0,0|2,0,0]=4 19834 B11R1.237 OC[C@@H](F)CNCCC1CC1 2702871386509d5095ce7299ae112e2b [0,1,0,1,0,0|2,0,0]=4 19835 B11R1.237 OC[C@@H](O)CNCCC1CC1 d9bdca710b8c81bd8b1b7ddb9eb21d86 [0,1,0,1,0,0|2,0,0]=4 19836 B11R1.237 OC[C@@H](O)COCCC1CC1 c8fa164708802cc4f70ffc3796e96722 [0,1,0,1,0,0|1,0,0]=3 19837 B11R1.237 OC[C@@H](O)COCCN1CC1 24ea1b997c7dcca58cc76256d584f04e [0,1,0,1,0,0|2,0,0]=4 19838 B11R1.237 OC[C@H](F)CNCCC1CC1 5a5a4a7119b216b2a07517a7eb5ddedc [0,1,0,1,0,0|2,0,0]=4 19839 B11R1.237 OC[C@H](O)CNCCC1CC1 eecd44d5c8f9b82985dd9e8dabaf370c [0,1,0,1,0,0|2,0,0]=4 19840 B11R1.237 OC[C@H](O)COCCC1CC1 5a0fe0ccf49f7eaf99d0a9e69ff91d66 [0,1,0,1,0,0|1,0,0]=3 19841 B11R1.237 OC[C@H](O)COCCN1CC1 591b1dbb77f81d9a445209ab16da7684 [0,1,0,1,0,0|2,0,0]=4 19842 B11R1.237 SCC(S)COCCC1CC1 31711b56b66df57c78f33df223520f82 [0,1,0,1,0,0|1,0,0]=3 19843 B11R1.255 CCC(C)CN[C@@H]1C[C@@H]1OC 8a6ef8adf11b4b9c5c751465c450b24b [0,1,0,1,0,0|2,0,0]=4 19844 B11R1.255 CCC(C)CN[C@@H]1C[C@H]1CO 85a642f91e9a15996f25ae66cf72ec3b [0,1,0,1,0,0|2,0,0]=4 19845 B11R1.255 CCC(C)CN[C@H]1C[C@@H]1CO 7c090bd1825e17d5f0113e001641b9db [0,1,0,1,0,0|2,0,0]=4 19846 B11R1.255 CCC(C)CN[C@H]1C[C@H]1CO f9f2ff7ef8ea62649f1653d8f36f8a5f [0,1,0,1,0,0|2,0,0]=4 19847 B11R1.255 CCC(C)COC1CC1C=O 9d833feba1192ae6ca57f89b27ded086 [0,1,0,1,0,0|1,0,1]=4 19848 B11R1.255 CCC(O)CN[C@@H]1C[C@@H]1OC 082d8e00d6d5a74efca90afee992df92 [0,1,0,1,0,0|2,0,0]=4 19849 B11R1.255 CCC(O)CN[C@@H]1C[C@H]1CO cda37ae67d93c9b3704adc44ad3c283a [0,1,0,1,0,0|2,0,0]=4 19850 B11R1.255 CCC(O)CN[C@H]1C[C@@H]1CO c42c37c579bc1fddb4312c5318479fb0 [0,1,0,1,0,0|2,0,0]=4 19851 B11R1.255 CCC(O)CN[C@H]1C[C@H]1CO 2fe9c1a6a2be4daf488687b68bf4ef65 [0,1,0,1,0,0|2,0,0]=4 19852 B11R1.255 CC[C@@H](C)CN[C@@H]1C[C@@H]1OC 882b43f727fe143f45a4f0f4d56e819d [0,1,0,1,0,0|2,0,0]=4 19853 B11R1.255 CC[C@@H](C)CN[C@@H]1C[C@H]1CO 64eaca1de61e8790776c54f5594c8efd [0,1,0,1,0,0|2,0,0]=4 19854 B11R1.255 CC[C@@H](C)CN[C@H]1C[C@@H]1CO 201c5e566d29e66b82a27068021c2f1c [0,1,0,1,0,0|2,0,0]=4 19855 B11R1.255 CC[C@@H](C)CN[C@H]1C[C@H]1CO f77bcfcfbd73bb4ee531f505432e850f [0,1,0,1,0,0|2,0,0]=4 19856 B11R1.255 CC[C@@H](C)COC1CC1C=O afa85bbbd49617ada3c4e47097cc6d99 [0,1,0,1,0,0|1,0,1]=4 19857 B11R1.255 CC[C@H](C)CN[C@@H]1C[C@@H]1OC b4fbd253d1919483d78afc97b4078983 [0,1,0,1,0,0|2,0,0]=4 19858 B11R1.255 CC[C@H](C)CN[C@@H]1C[C@H]1CO db07855257802c9bfb445edbecd13a4b [0,1,0,1,0,0|2,0,0]=4 19859 B11R1.255 CC[C@H](C)CN[C@H]1C[C@@H]1CO 1650471633113113c1ff5f7ebe95ea8a [0,1,0,1,0,0|2,0,0]=4 19860 B11R1.255 CC[C@H](C)CN[C@H]1C[C@H]1CO 3d788f9bff74d677fa7abe3f7e4f8796 [0,1,0,1,0,0|2,0,0]=4 19861 B11R1.255 CC[C@H](C)COC1CC1C=O 895804ddb00a1ffce27fe3102e83f7eb [0,1,0,1,0,0|1,0,1]=4 19862 B11R1.272 C=C(CC)CN1CCC1CC acfff87a97e7c66b4413296e9cfa8344 [0,1,0,1,0,0|1,0,1]=4 19863 B11R1.272 CCC(=O)CN1CCC1CC 0df9390c0793c24301319f1b09428d60 [0,1,0,1,0,0|1,0,1]=4 19864 B11R1.272 CCC(C)CN1CCC1CC 06660c24892098b09aaae3f58d8d763c [0,1,0,1,0,0|1,0,0]=3 19865 B11R1.272 CCC(C)CN1CCC1CO d1cd61f0dfc937756b61c6015f22bd85 [0,1,0,1,0,0|2,0,0]=4 19866 B11R1.272 CCC(C)CN1CC[C@@H]1CO 25ad2d4b0a5273cd579c3c6354eadf3d [0,1,0,1,0,0|2,0,0]=4 19867 B11R1.272 CCC(C)CN1CC[C@H]1CO 77b3a0520788c30d898e7740ce03ec70 [0,1,0,1,0,0|2,0,0]=4 19868 B11R1.272 CCC(O)CN1CCC1CC c7031758ef5ea42286ef6ada62cc54f2 [0,1,0,1,0,0|1,0,0]=3 19869 B11R1.272 CCC(O)CN1CCC1CO ec89099a488da91d46d7a75fa12e6148 [0,1,0,1,0,0|2,0,0]=4 19870 B11R1.272 CCC(O)CN1CC[C@@H]1CO 12f76a6c06a29981f5722eebc04ba4d8 [0,1,0,1,0,0|2,0,0]=4 19871 B11R1.272 CCC(O)CN1CC[C@H]1CO 9071fccd44ea029faf51a4f919f778eb [0,1,0,1,0,0|2,0,0]=4 19872 B11R1.272 CCC1CCN1CC(C)CO a70e3fe6febbc688bf5710ff10a51fae [0,1,0,1,0,0|2,0,0]=4 19873 B11R1.272 CCC1CCN1CC(C)OC 6e34ed770b5b6e9b58f48cbc53b083f3 [0,1,0,1,0,0|2,0,0]=4 19874 B11R1.272 CCC1CCN1CC(O)CF 093ff9e4ca32f58f8f26adc359619377 [0,1,0,1,0,0|2,0,0]=4 19875 B11R1.272 CCC1CCN1CC(O)CO d2f7807669d89a7de4d93ef328389b00 [0,1,0,1,0,0|2,0,0]=4 19876 B11R1.272 CCC1CCN1C[C@@H](C)CC 4c510bf9dd7a922b257fda78dd9579ab [0,1,0,1,0,0|1,0,0]=3 19877 B11R1.272 CCC1CCN1C[C@@H](C)CO 8d1122d0625e60db196e581af90330fe [0,1,0,1,0,0|2,0,0]=4 19878 B11R1.272 CCC1CCN1C[C@@H](C)OC 609849ea0123dbe20645e6e9f6ad3b0b [0,1,0,1,0,0|2,0,0]=4 19879 B11R1.272 CCC1CCN1C[C@@H](O)CO 1abb3ee30b40aeacc50acf51891db75a [0,1,0,1,0,0|2,0,0]=4 19880 B11R1.272 CCC1CCN1C[C@H](C)CC fd22f102001072e08417d3110c456108 [0,1,0,1,0,0|1,0,0]=3 19881 B11R1.272 CCC1CCN1C[C@H](C)CO ac86a308ecd9bdaa6e24edaddde0aae5 [0,1,0,1,0,0|2,0,0]=4 19882 B11R1.272 CCC1CCN1C[C@H](C)OC e9e417cf94a01573ee6e7b5e6bb92749 [0,1,0,1,0,0|2,0,0]=4 19883 B11R1.272 CCC1CCN1C[C@H](O)CO 9004bde1f8ffa8c46e111ad87bd72993 [0,1,0,1,0,0|2,0,0]=4 19884 B11R1.272 CC[C@@H](C)CN1CCC1CO eff300f20f3e2a1b026bbfd68adb9ba1 [0,1,0,1,0,0|2,0,0]=4 19885 B11R1.272 CC[C@@H](C)CN1CC[C@@H]1CO 1853fda2e37da7724c837f76d526c532 [0,1,0,1,0,0|2,0,0]=4 19886 B11R1.272 CC[C@@H](C)CN1CC[C@H]1CO a64ffbe2b2dd17f9184c42db4110843d [0,1,0,1,0,0|2,0,0]=4 19887 B11R1.272 CC[C@H](C)CN1CCC1CO 0a3600a0f291b539988e133875b07c8f [0,1,0,1,0,0|2,0,0]=4 19888 B11R1.272 CC[C@H](C)CN1CC[C@@H]1CO 0a02d24a7a0bf046ca2a96eed9b6fc90 [0,1,0,1,0,0|2,0,0]=4 19889 B11R1.272 CC[C@H](C)CN1CC[C@H]1CO d30da260eaba4ae2bd547886314d5290 [0,1,0,1,0,0|2,0,0]=4 19890 B11R1.320 C#CCCCOCC1(CC1)Br d30ac7619013566a1cb22c81d9e52c53 [0,1,0,1,0,0|0,0,2]=4 19891 B11R1.320 C#CCCCOCC1(CC1)C 4308307cbd9fb01b5c51a721d5c641a5 [0,1,0,1,0,0|0,0,2]=4 19892 B11R1.320 C#CCCCOCC1(CC1)Cl 946978cbadbfac365a739bdab60a31a8 [0,1,0,1,0,0|0,0,2]=4 19893 B11R1.320 C#CCCCOCC1(CC1)F cb6d55bf289cc32c9100d5fd3a3ce3d8 [0,1,0,1,0,0|0,0,2]=4 19894 B11R1.320 C#CCCOCCC1(CC1)C cf2a8600d1db6c83cc4cab9bfae295d6 [0,1,0,1,0,0|0,0,2]=4 19895 B11R1.320 C/C=C/CCOCC1(CC1)C d0055ca8300bd7e21a30d3c6862a6dd3 [0,1,0,1,0,0|0,0,2]=4 19896 B11R1.320 C/C=C/CCOCC1(CC1)F 27041006d33d39698a5631d501864cf8 [0,1,0,1,0,0|0,0,2]=4 19897 B11R1.320 C/C=C/COCCC1(CC1)C 77fc10292ab23bf46ac1eb874ef40728 [0,1,0,1,0,0|0,0,2]=4 19898 B11R1.320 C/C=C\COCCC1(CC1)C 9f969ac92ecf25677c79b78e386614da [0,1,0,1,0,0|0,0,2]=4 19899 B11R1.320 C=CCCCOCC1(CC1)Br d6ecf5fdedd821256197bc7214d5d0b2 [0,1,0,1,0,0|0,0,2]=4 19900 B11R1.320 C=CCCCOCC1(CC1)C d0612e2039b02a3b8a77cb24c518f420 [0,1,0,1,0,0|0,0,2]=4 19901 B11R1.320 C=CCCCOCC1(CC1)Cl cab525793ce84c658f914933dc38f9ec [0,1,0,1,0,0|0,0,2]=4 19902 B11R1.320 C=CCCCOCC1(CC1)F b0b5bb14fb557715ebb1ce0b40d42cc2 [0,1,0,1,0,0|0,0,2]=4 19903 B11R1.320 C=CCCOCCC1(CC1)C 896e0dd89edeab0e81e1f8ebbe862129 [0,1,0,1,0,0|0,0,2]=4 19904 B11R1.320 CC#CCCOCC1(CC1)C ed9213eb64f458c8eade2e4547a88702 [0,1,0,1,0,0|0,0,2]=4 19905 B11R1.320 CC#CCCOCC1(CC1)F 8626d4a7fb9228e3a615b5e93a95f4cf [0,1,0,1,0,0|0,0,2]=4 19906 B11R1.320 CC/C=C/COCC1(CC1)Br 8c4e7d8fde21cf1891fbc1b8c61e7833 [0,1,0,1,0,0|0,0,2]=4 19907 B11R1.320 CC/C=C/COCC1(CC1)C 8d69fe6025619f43f4841e19cb9a21f2 [0,1,0,1,0,0|0,0,2]=4 19908 B11R1.320 CC/C=C/COCC1(CC1)Cl f474e80bf432c9cad59f1fd72684418b [0,1,0,1,0,0|0,0,2]=4 19909 B11R1.320 CC/C=C/COCC1(CC1)F 80d4250503f2f2f7489fb0810b1176fa [0,1,0,1,0,0|0,0,2]=4 19910 B11R1.320 CC/C=C\COCC1(CC1)C ae100f63c639c6a684efd10c5e8326b5 [0,1,0,1,0,0|0,0,2]=4 19911 B11R1.320 CC/C=C\COCC1(CC1)F 5402b79d27168f1be5a365caced2d35f [0,1,0,1,0,0|0,0,2]=4 19912 B11R1.320 CC1(CC1)CCOCCC#N 641638745fbc76cd70615fe998c6c842 [0,1,0,1,0,0|1,0,1]=4 19913 B11R1.320 CC1(CC1)CCOCCC=O 9eab5b6dad8e0f108dc894263c99e394 [0,1,0,1,0,0|1,0,1]=4 19914 B11R1.320 CC1(CC1)CCOCCCF 293ade38b70eaf0a7b31e6fd37248630 [0,1,0,1,0,0|1,0,0]=3 19915 B11R1.320 CC1(CC1)CCOCCCS d7b3cccc85d3151e34cdfa0246f4df04 [0,1,0,1,0,0|1,0,0]=3 19916 B11R1.320 CC1(CC1)CNCCCCCl 21b70eb7434f544f616a32e83c166ab3 [0,1,0,1,0,0|2,0,0]=4 19917 B11R1.320 CC1(CC1)CNCCCCO eb007afc16eacea399ded01ca3c6e6ad [0,1,0,1,0,0|2,0,0]=4 19918 B11R1.320 CC1(CC1)CNCCCCS 22a91f5d657790fdca790c2933de642d [0,1,0,1,0,0|2,0,0]=4 19919 B11R1.320 CC1(CC1)COCCCC#N 8b366d17ced6ae7b0bfab9029256d53c [0,1,0,1,0,0|1,0,1]=4 19920 B11R1.320 CC1(CC1)COCCCC=O 1466c1a91d38084cae016af0613f099b [0,1,0,1,0,0|1,0,1]=4 19921 B11R1.320 CC1(CC1)COCCCCF a9bae84f994dfe554963c4fe64c79bd4 [0,1,0,1,0,0|1,0,0]=3 19922 B11R1.320 CC1(CC1)COCCCCS 856b8cd2dbade45b91225f73b4174812 [0,1,0,1,0,0|1,0,0]=3 19923 B11R1.320 CCC#CCOCC1(CC1)C 0e262bc8b21c8e210fba5423ca75bf90 [0,1,0,1,0,0|0,0,2]=4 19924 B11R1.320 CCC#CCOCC1(CC1)F 11c48871b873977660ced8200a25d0c2 [0,1,0,1,0,0|0,0,2]=4 19925 B11R1.320 CCCCCCNC1(CC1)C 6f364ba4244ed89fe21ca0dce0de7fd7 [0,1,0,1,0,0|2,0,0]=4 19926 B11R1.320 CCCCCNCC1(CC1)C 10d8dcce26e6e13f7db490d96a527dcb [0,1,0,1,0,0|1,0,0]=3 19927 B11R1.320 CCCCCNCC1(CC1)F c3e3be061695fc47a3799c92874d0f97 [0,1,0,1,0,0|1,0,0]=3 19928 B11R1.320 CCCCCNCC1(CC1)O 60a77063c53de2d8a49b7bd9b92c6ed6 [0,1,0,1,0,0|1,0,0]=3 19929 B11R1.320 CCCCCOCC1(CC1)Br f5e2a5a3b6bca269ae856166809ee199 [0,1,0,1,0,0|0,0,0]=2 19930 B11R1.320 CCCCCOCC1(CC1)C 17b34cddc6f80ffd5f4a365bbd9c3b4d [0,1,0,1,0,0|0,0,0]=2 19931 B11R1.320 CCCCCOCC1(CC1)Cl 035bdbe4df8d75b362e4a22448f92d5e [0,1,0,1,0,0|0,0,0]=2 19932 B11R1.320 CCCCCOCC1(CC1)F 5073f2d97952b29efecd7a4b60af1ec8 [0,1,0,1,0,0|0,0,0]=2 19933 B11R1.320 CCCCNCCC1(CC1)O ef7766e82e2b31d42e51fb1e2cd05926 [0,1,0,1,0,0|1,0,0]=3 19934 B11R1.320 CCCCOCCC1(CC1)C f36be6c93a8b042633aa5b5cad8e87d1 [0,1,0,1,0,0|0,0,0]=2 19935 B11R1.320 CCCCOCNC1(CC1)C 178834a96d2ecf29e6d07cb0077a2a32 [0,1,0,1,0,0|1,0,0]=3 19936 B11R1.320 CCOCCNCC1(CC1)C 84be2d6f8b3995b6c39f6ee68bc08343 [0,1,0,1,0,0|2,0,0]=4 19937 B11R1.320 CCOCCNCC1(CC1)F 4d9fe86fe21516b46cbeb6aa7e126d2c [0,1,0,1,0,0|2,0,0]=4 19938 B11R1.320 CCOCCNCC1(CC1)O 2df12ac0ba284d73d1e9b4ccb2b7e0d0 [0,1,0,1,0,0|2,0,0]=4 19939 B11R1.320 CCOCCOCC1(CC1)Br d389dfa01e73e1f609bd4c3dd000fc46 [0,1,0,1,0,0|1,0,0]=3 19940 B11R1.320 CCOCCOCC1(CC1)C 97adeb902fcc315ac03d24fba95db80a [0,1,0,1,0,0|1,0,0]=3 19941 B11R1.320 CCOCCOCC1(CC1)Cl 08fe2a66e3ea8a2edcb6bfc77c4c5739 [0,1,0,1,0,0|1,0,0]=3 19942 B11R1.320 CCOCCOCC1(CC1)F 8473a6ce68a27e528c95253d41fe31b5 [0,1,0,1,0,0|1,0,0]=3 19943 B11R1.320 CCOCNCCC1(CC1)O 4fe096674a2b43a893e0300068d9046e [0,1,0,1,0,0|2,0,0]=4 19944 B11R1.320 CCSCCNCC1(CC1)C b08bab157649739130edf604b666a48f [0,1,0,1,0,0|2,0,0]=4 19945 B11R1.320 CCSCCNCC1(CC1)F e41901aef63d79338d9e2f48ca61858b [0,1,0,1,0,0|2,0,0]=4 19946 B11R1.320 CCSCCNCC1(CC1)O f8c351ca3daa801c6dacd6e81773bd9c [0,1,0,1,0,0|2,0,0]=4 19947 B11R1.320 CCSCCOCC1(CC1)Br d65881ef7c97ee759a90e8703538dcf3 [0,1,0,1,0,0|1,0,0]=3 19948 B11R1.320 CCSCCOCC1(CC1)C ad75ff31d4d15a4c481613f3b2e8c337 [0,1,0,1,0,0|1,0,0]=3 19949 B11R1.320 CCSCCOCC1(CC1)Cl 279b338b066ecb3f83ccdb879e35dad2 [0,1,0,1,0,0|1,0,0]=3 19950 B11R1.320 CCSCCOCC1(CC1)F e00c043fac24e925e6501cc9ef5c58cf [0,1,0,1,0,0|1,0,0]=3 19951 B11R1.320 COCCCNCC1(CC1)C 5f7402cf8b7ba1e5ac9258927e0ba49e [0,1,0,1,0,0|2,0,0]=4 19952 B11R1.320 COCCCNCC1(CC1)F e8652e4d03816a364fa9c32135e8c701 [0,1,0,1,0,0|2,0,0]=4 19953 B11R1.320 COCCCNCC1(CC1)O 37b625690de54ffe06f6dfa5f0d4cc9f [0,1,0,1,0,0|2,0,0]=4 19954 B11R1.320 COCCCOCC1(CC1)Br 5f8cb5f40c7e61c2f74f3eb8276912ea [0,1,0,1,0,0|1,0,0]=3 19955 B11R1.320 COCCCOCC1(CC1)C bbe7d37ea2f1b837e22cd58ce599ba7c [0,1,0,1,0,0|1,0,0]=3 19956 B11R1.320 COCCCOCC1(CC1)Cl fe2f908be835e765a385e8b06af0634b [0,1,0,1,0,0|1,0,0]=3 19957 B11R1.320 COCCCOCC1(CC1)F ae882d9266031b5140fe39e35594ae98 [0,1,0,1,0,0|1,0,0]=3 19958 B11R1.320 COCCNCCC1(CC1)O 7b1f7cf245a192e39630a10661fb8d89 [0,1,0,1,0,0|2,0,0]=4 19959 B11R1.320 COCCOCCC1(CC1)C a240cc36da3f0734b34897578d8a31ea [0,1,0,1,0,0|1,0,0]=3 19960 B11R1.320 COCCOCNC1(CC1)C ec298b433a58abe329da9abea14b2192 [0,1,0,1,0,0|2,0,0]=4 19961 B11R1.320 CSCCCNCC1(CC1)C 895b03fa5aaaebb891504b69dbd45c40 [0,1,0,1,0,0|2,0,0]=4 19962 B11R1.320 CSCCCNCC1(CC1)F 5e49db4b45ea77074e95b392d0af3d68 [0,1,0,1,0,0|2,0,0]=4 19963 B11R1.320 CSCCCNCC1(CC1)O f303676cd23b962437b8e65eefd11213 [0,1,0,1,0,0|2,0,0]=4 19964 B11R1.320 CSCCCOCC1(CC1)Br 4218f7fcd4bb4f888f888492c38cb040 [0,1,0,1,0,0|1,0,0]=3 19965 B11R1.320 CSCCCOCC1(CC1)C 1f4649ae42330b9ba397a23e5b8d4f33 [0,1,0,1,0,0|1,0,0]=3 19966 B11R1.320 CSCCCOCC1(CC1)Cl bf0ee3e8e5970254710403c6b4affbe2 [0,1,0,1,0,0|1,0,0]=3 19967 B11R1.320 CSCCCOCC1(CC1)F 7679e0f332bbab7698a9c07e26157bba [0,1,0,1,0,0|1,0,0]=3 19968 B11R1.320 CSCCNCCC1(CC1)O af52c2fa36a881b38b7d33d7bb428fa4 [0,1,0,1,0,0|2,0,0]=4 19969 B11R1.320 CSCCOCCC1(CC1)C 819e4397ce79360f46240b3a7c0b3c20 [0,1,0,1,0,0|1,0,0]=3 19970 B11R1.320 FC1(CC1)CNCCCCCl fd22f90c999f5e5acebb37a813b6d517 [0,1,0,1,0,0|2,0,0]=4 19971 B11R1.320 FC1(CC1)CNCCCCS 828c138c51d30e4a0b0cca202daaa26a [0,1,0,1,0,0|2,0,0]=4 19972 B11R1.320 FC1(CC1)COCCCCS eafaf966089f7934a5e180f90174b8fa [0,1,0,1,0,0|1,0,0]=3 19973 B11R1.320 FCCCCNCC1(CC1)F d1b0b6f06443a991a8b18d52628bd7fc [0,1,0,1,0,0|2,0,0]=4 19974 B11R1.320 FCCCCOCC1(CC1)Br b60d3dba8d7525c5186a8b7b1af920ee [0,1,0,1,0,0|1,0,0]=3 19975 B11R1.320 FCCCCOCC1(CC1)Cl ccf26afe40d1fb2846c81e907a4071d2 [0,1,0,1,0,0|1,0,0]=3 19976 B11R1.320 FCCCCOCC1(CC1)F 121a9a97624fcf676f6e4ebccd17199e [0,1,0,1,0,0|1,0,0]=3 19977 B11R1.320 N#CCCCOCC1(CC1)Br 046730c93eea1c0d6f624b588ee7ccbd [0,1,0,1,0,0|1,0,1]=4 19978 B11R1.320 N#CCCCOCC1(CC1)Cl ccc6106e9a04e189b67c4678e1087076 [0,1,0,1,0,0|1,0,1]=4 19979 B11R1.320 N#CCCCOCC1(CC1)F 2cca037aebd6ec57793c91fb548161e1 [0,1,0,1,0,0|1,0,1]=4 19980 B11R1.320 O=CCCCOCC1(CC1)Br 5761474711f8f1334d576245c550de4e [0,1,0,1,0,0|1,0,1]=4 19981 B11R1.320 O=CCCCOCC1(CC1)Cl bf9b7d52a563de8ad853623c809dd575 [0,1,0,1,0,0|1,0,1]=4 19982 B11R1.320 O=CCCCOCC1(CC1)F fea5ed84ade700662f3c0f70ca45c622 [0,1,0,1,0,0|1,0,1]=4 19983 B11R1.320 OC1(CC1)CCNCCCF 0f4ed094dd55bdb162ec17ab4815bf1e [0,1,0,1,0,0|2,0,0]=4 19984 B11R1.320 OC1(CC1)CCNCCCS a7110f0cbe0064f1888f063244c845ec [0,1,0,1,0,0|2,0,0]=4 19985 B11R1.320 OC1(CC1)CNCCCCF 1735686bb9a8ab0b53463baa4db56a64 [0,1,0,1,0,0|2,0,0]=4 19986 B11R1.320 OCCCCNCC1(CC1)F 5759c1702ced0a585044b2282017b108 [0,1,0,1,0,0|2,0,0]=4 19987 B11R1.320 OCCCCNCC1(CC1)O 73815daaebbee5041662a0fc8c396200 [0,1,0,1,0,0|2,0,0]=4 19988 B11R1.320 OCCCNCCC1(CC1)O 6dc90cb3ff90392a5d379d22155c45fe [0,1,0,1,0,0|2,0,0]=4 19989 B11R1.383 CCN1CCOCC(C1)CO f8525f5547cc8a2f01930d4dd231ca79 [0,1,0,1,0,0|2,0,0]=4 19990 B11R1.383 CCN1CCOCC(C1)OC 1e2faa645f72b97706fbba26025bdae8 [0,1,0,1,0,0|2,0,0]=4 19991 B11R1.383 CCN1CCOC[C@@H](C1)OC 2d0f2b9862dc818ba98706f69169ed82 [0,1,0,1,0,0|2,0,0]=4 19992 B11R1.383 CCN1CCOC[C@H](C1)OC ce8813a6ad6f86ab2ebf5aaeee11d964 [0,1,0,1,0,0|2,0,0]=4 19993 B11R1.759 CCC1CN(C1)CCCCF 8bc11b3a2a5a0a4d2580fa31d4c82ccc [0,1,0,1,0,0|2,0,0]=4 19994 B11R1.759 CCC1CN(C1)CCCCO 115f3773a4ce1e3dbade4f22b9590a78 [0,1,0,1,0,0|2,0,0]=4 19995 B11R1.759 CCC1CN(C1)CCCOC 25490ff9a1955acaddc1c3939580e013 [0,1,0,1,0,0|2,0,0]=4 19996 B11R1.759 CCC1CN(C1)CCCSC 092070117f39b7498846475922c2056d [0,1,0,1,0,0|2,0,0]=4 19997 B11R1.759 CCCCCN1CC(C1)CC 2a26d55ed23e500362e95766ae8bdf93 [0,1,0,1,0,0|1,0,0]=3 19998 B11R1.759 CCCCCN1CC(C1)CF 44c41d2df53440d29dc5905f0c4e9e2a [0,1,0,1,0,0|2,0,0]=4 19999 B11R1.759 CCCCCN1CC(C1)CO 38ad036a7b430a3c62aba4acfcd17d9c [0,1,0,1,0,0|2,0,0]=4 20000 B11R1.759 CCCCCN1CC(C1)OC 9d6ad6b10ce1405c41981f00c23e4e15 [0,1,0,1,0,0|2,0,0]=4 20001 B11R1.759 CCCCCN1CC(C1)SC 9528ce90063e1b8ab3c03d947cf36b36 [0,1,0,1,0,0|2,0,0]=4 20002 B11R1.759 CCCCNC1CC(C1)CO bb307414104fe9fcfd3c2f01c3044300 [0,1,0,1,0,0|2,0,0]=4 20003 B11R1.759 CCCCNC1CC(C1)OC a3726f35ad7fead8004edd53196778a3 [0,1,0,1,0,0|2,0,0]=4 20004 B11R1.759 CCCCNC1CN(C1)CC 79e5a9a3a7c997a121f082e79ea45a1b [0,1,0,1,0,0|2,0,0]=4 20005 B11R1.759 CCCCN[C@H]1C[C@@H](C1)CO 323459bfe74e2427468e011e35f2e270 [0,1,0,1,0,0|2,0,0]=4 20006 B11R1.759 CCCCN[C@H]1C[C@@H](C1)OC b4b26e25e37e41104aa5f73acbf74a51 [0,1,0,1,0,0|2,0,0]=4 20007 B11R1.759 CCCCN[C@H]1C[C@H](C1)CO f719d2ee209706784773fe26bf088ad2 [0,1,0,1,0,0|2,0,0]=4 20008 B11R1.759 CCCCN[C@H]1C[C@H](C1)OC 298f0cce32a8a4058a12daba3fb2f4df [0,1,0,1,0,0|2,0,0]=4 20009 B11R1.759 CCCCOC1CC(C1)C#N 6fad94ffd6926b858322482943c57c05 [0,1,0,1,0,0|1,0,1]=4 20010 B11R1.759 CCCCOC1CC(C1)OC a6899beb59bd48185e5b78ba7dd5e743 [0,1,0,1,0,0|1,0,0]=3 20011 B11R1.759 CCCCOC1CN(C1)CC b3549229100680369c4db3fee50b5f13 [0,1,0,1,0,0|1,0,0]=3 20012 B11R1.759 CCCCOC1CN(C1)CF f952dd01b05111c1ab7d7886c36f9533 [0,1,0,1,0,0|2,0,0]=4 20013 B11R1.759 CCCCOC1CN(C1)CO 7f5633931e0dda981d3256329ea1e74e [0,1,0,1,0,0|2,0,0]=4 20014 B11R1.759 CCCCO[C@H]1C[C@@H](C1)C#N effd77ea5ad43eba60fd0f02f59e986f [0,1,0,1,0,0|1,0,1]=4 20015 B11R1.759 CCCCO[C@H]1C[C@@H](C1)OC 496d51bc94dba8785370e8a72b547eab [0,1,0,1,0,0|1,0,0]=3 20016 B11R1.759 CCCCO[C@H]1C[C@H](C1)C#N f0a441443e79df80b09174be56cd3d30 [0,1,0,1,0,0|1,0,1]=4 20017 B11R1.759 CCCCO[C@H]1C[C@H](C1)CF 5b457381823f30b6808fd258e8e1b558 [0,1,0,1,0,0|1,0,0]=3 20018 B11R1.759 CCCCO[C@H]1C[C@H](C1)OC f94c0208a160df9f30f51fbf477b9eb6 [0,1,0,1,0,0|1,0,0]=3 20019 B11R1.759 CCN1CC(C1)OCCCF ea2324835658bbc8ae0dab58c2009759 [0,1,0,1,0,0|2,0,0]=4 20020 B11R1.759 CCN1CC(C1)OCCCS c090170da0367d67c386acba24ddefdd [0,1,0,1,0,0|2,0,0]=4 20021 B11R1.759 CCN1CC(C1)OCCOC 4645b5bfe8fccc9e5c8bb89a566865fc [0,1,0,1,0,0|2,0,0]=4 20022 B11R1.759 CCN1CC(C1)OCCSC 823b8afe210dc556ce4a6bf895e7a17f [0,1,0,1,0,0|2,0,0]=4 20023 B11R1.759 CCOCCN1CC(C1)CC cde42d1c9e3b605e782210245f10b090 [0,1,0,1,0,0|2,0,0]=4 20024 B11R1.759 CCOCOC1CC(C1)OC c9687821cd41c040e4b5f431c4e2139a [0,1,0,1,0,0|2,0,0]=4 20025 B11R1.759 CCOCOC1CN(C1)CC 50780af6e4391906f7fda397d151f311 [0,1,0,1,0,0|2,0,0]=4 20026 B11R1.759 CCOCO[C@H]1C[C@@H](C1)OC f8936c04827afe2909493e9b2eed6945 [0,1,0,1,0,0|2,0,0]=4 20027 B11R1.759 CCOCO[C@H]1C[C@H](C1)CF 47a8f2e317073f272191f034275494ca [0,1,0,1,0,0|2,0,0]=4 20028 B11R1.759 CCOCO[C@H]1C[C@H](C1)OC 9f3609c96f52a916e07c8063f025157f [0,1,0,1,0,0|2,0,0]=4 20029 B11R1.759 CCSCCN1CC(C1)CC e273d533c1d00edeef33d535b354371e [0,1,0,1,0,0|2,0,0]=4 20030 B11R1.759 COC1CC(C1)OCCCF 2eb20d44a41e5c125daf840af71b0b02 [0,1,0,1,0,0|2,0,0]=4 20031 B11R1.759 COC1CC(C1)OCCCS 2da99c157d7220a491c801e8f6fa37a0 [0,1,0,1,0,0|2,0,0]=4 20032 B11R1.759 COC1CC(C1)OCCSC 4ba95eafc440737101ec73df8f0dc823 [0,1,0,1,0,0|2,0,0]=4 20033 B11R1.759 COCCOC1CC(C1)OC 0187f9acda0efc876146c0906ab3cb1b [0,1,0,1,0,0|2,0,0]=4 20034 B11R1.759 COCCO[C@H]1C[C@@H](C1)OC 160cc253653b716a8911e77592e9222f [0,1,0,1,0,0|2,0,0]=4 20035 B11R1.759 COCCO[C@H]1C[C@H](C1)CF 439c118e051a1ff19a6d1972d6121043 [0,1,0,1,0,0|2,0,0]=4 20036 B11R1.759 COCCO[C@H]1C[C@H](C1)OC d37a1a5ceb832ac57b26cab1705396b7 [0,1,0,1,0,0|2,0,0]=4 20037 B11R1.759 CO[C@H]1C[C@@H](C1)OCCCF 38bce88d654b0b038dba7320478861d9 [0,1,0,1,0,0|2,0,0]=4 20038 B11R1.759 CO[C@H]1C[C@@H](C1)OCCCS a4e9409f5616626141962fa980c9440c [0,1,0,1,0,0|2,0,0]=4 20039 B11R1.759 CO[C@H]1C[C@@H](C1)OCCSC d5bbe0850c6b9d2e6c3d0ff95a1aa95d [0,1,0,1,0,0|2,0,0]=4 20040 B11R1.759 CO[C@H]1C[C@H](C1)OCCCF 089f4af184392ad4330e7523392b699d [0,1,0,1,0,0|2,0,0]=4 20041 B11R1.759 CO[C@H]1C[C@H](C1)OCCCS 66468b46d07ead2593b55f698438e419 [0,1,0,1,0,0|2,0,0]=4 20042 B11R1.759 CO[C@H]1C[C@H](C1)OCCSC 6529d012be221ba7706de38cc850f2f1 [0,1,0,1,0,0|2,0,0]=4 20043 B11R1.759 CSCCO[C@H]1C[C@H](C1)CF b8673f9ec66f521855f2117e4693882d [0,1,0,1,0,0|2,0,0]=4 20044 B11R1.759 FCCCO[C@H]1C[C@H](C1)CF 8b0fa14eaf3ab46db6752fa961b579fc [0,1,0,1,0,0|2,0,0]=4 20045 B11R1.759 FC[C@H]1C[C@H](C1)OCCCS 281c8602f3fdaff6facbc99c995c2d82 [0,1,0,1,0,0|2,0,0]=4 20046 B11R1.852 CCC(C)N1CCCCCC1 a576af41f7bcbe056da3a6dc8903784b [0,1,0,1,0,0|2,0,0]=4 20047 B11R1.852 CCN(C)C1CCCCCC1 066069867938ad225737044af6360627 [0,1,0,1,0,0|2,0,0]=4 20048 B11R1.29 CCCCC(C)N1CCSC1 2f8600273de05439a8573277850f3c7f [0,1,0,1,0,0|2,0,0]=4 20049 B11R1.29 CCCCN(C)C1CCCC1 15cf7419e836ec5868587a976662f5ec [0,1,0,1,0,0|1,0,0]=3 20050 B11R1.29 CCCCN(C)C1CCOC1 79d538721f40fb345ed42e63cd3472b4 [0,1,0,1,0,0|2,0,0]=4 20051 B11R1.29 CCCCN(C)[C@@H]1CCOC1 23b92cf60d168ad3113dd391663b6a64 [0,1,0,1,0,0|2,0,0]=4 20052 B11R1.29 CCCCN(C)[C@H]1CCOC1 13a2d96a05aac0345c7395c3f04241e8 [0,1,0,1,0,0|2,0,0]=4 20053 B11R1.29 CCCNC(C)C1CCCC1 0ef9b851a96e67a02e9991d070bb82c7 [0,1,0,1,0,0|2,0,0]=4 20054 B11R1.29 CCCOC(C)C1CCCC1 f54ecb6e7152619579e8912e760516aa [0,1,0,1,0,0|2,0,0]=4 20055 B11R1.29 CCNCC(C)N1CCCC1 eb51643df292fbbff7cc3384443e6bb1 [0,1,0,1,0,0|2,0,0]=4 20056 B11R1.29 CCOCC(=O)C1CCCC1 3771d762631c3384326f41a908d590cc [0,1,0,1,0,0|2,0,0]=4 20057 B11R1.29 CCOCC(C)N1CCCC1 b89770b0523805c15c9242714612d91b [0,1,0,1,0,0|2,0,0]=4 20058 B11R1.29 CCOCN(C)C1CCCC1 2646ed3d20cba6748d02dac7417a10ae [0,1,0,1,0,0|2,0,0]=4 20059 B11R1.29 CCOC[C@H](C)N1CCCC1 8224a51f4945e46af9355da1b9862d94 [0,1,0,1,0,0|2,0,0]=4 20060 B11R1.29 CN(CCCF)C1CCCC1 40e5061eb6210cfa104021de3551a8e3 [0,1,0,1,0,0|2,0,0]=4 20061 B11R1.29 CN(CCCO)C1CCCC1 98c4dfc6a6ff6cd1d39acbd82ef64ae0 [0,1,0,1,0,0|2,0,0]=4 20062 B11R1.29 CN(CCCS)C1CCCC1 96d1140ee92e6b8add8c8038d9515856 [0,1,0,1,0,0|2,0,0]=4 20063 B11R1.29 COCCN(C)C1CCCC1 51354f9370e465f769acfcc1e0fc4e04 [0,1,0,1,0,0|2,0,0]=4 20064 B11R1.29 CSCCN(C)C1CCCC1 1063f21fedcad0e6d545bf0e71ebe02b [0,1,0,1,0,0|2,0,0]=4 20065 B11R1.37 CCC1COC(CN1CC)C 9385d94c0f2f1ed6df97eec27d358adb [0,1,0,1,0,0|1,0,0]=3 20066 B11R1.37 CCC1COC(CN1CF)C 215ba467f19df2a327f6270ee3d9adbc [0,1,0,1,0,0|2,0,0]=4 20067 B11R1.37 CCC1COC(CN1CO)C 85f690ff9082faefee0c3f4fa3d0c797 [0,1,0,1,0,0|2,0,0]=4 20068 B11R1.182 CCCN1CC(CCC1C)O aa3d6bb13f4b5f8a620f900871f614d9 [0,1,0,1,0,0|2,0,0]=4 20069 B11R1.182 CCCN1C[C@@H](CC[C@H]1C)O eb41d7532af77d3caaa7c95c32ba12c2 [0,1,0,1,0,0|2,0,0]=4 20070 B11R1.182 CCOC1CC(CCC1C)C 33ca5bb47c81f1fcde925eecbfed1877 [0,1,0,1,0,0|2,0,0]=4 20071 B11R1.283 CC(CCCO)NC1CC1C 6d884236662318a11af536f6427e0475 [0,1,0,1,0,0|2,0,0]=4 20072 B11R1.283 CCCCC(=O)NC1CC1C b0fcf2942a211577d69302de270bf55e [0,1,0,1,0,0|1,0,1]=4 20073 B11R1.283 CCCCC(C)NC1CC1C 31688b942085a1ee3afe998633f1447d [0,1,0,1,0,0|1,0,0]=3 20074 B11R1.283 CCCCC(C)N[C@@H]1C[C@H]1F 81eb761a3246dec44fc57fe57eb300a4 [0,1,0,1,0,0|2,0,0]=4 20075 B11R1.283 CCCCC(C)N[C@H]1C[C@@H]1F 317b20fe333261bb3ae4b071ae0729b3 [0,1,0,1,0,0|2,0,0]=4 20076 B11R1.283 CCCCC(C)N[C@H]1C[C@H]1F 37f7f13075f4cafcea643504ee10f59a [0,1,0,1,0,0|2,0,0]=4 20077 B11R1.284 C=CCCC(C)OC1CCC1 47448be72112bf38952666c513d62d5f [0,1,0,1,0,0|0,0,2]=4 20078 B11R1.284 C=CCC[C@@H](C)OC1CCC1 558d40557c7adca11bc72fe1f2f0fd16 [0,1,0,1,0,0|0,0,2]=4 20079 B11R1.284 CC(CCC#N)OC1CCC1 1f9fe0f06438dedb06eedfd08b7efe61 [0,1,0,1,0,0|1,0,1]=4 20080 B11R1.284 CC(CCCO)NC1CCC1 54d35fd834b946c7689ca756b04de919 [0,1,0,1,0,0|2,0,0]=4 20081 B11R1.284 CCC#CC(C)OC1CCC1 2df92db42e814f5af776f3fa0ecbfd17 [0,1,0,1,0,0|0,0,2]=4 20082 B11R1.284 CCCCC(=O)NC1CCC1 03a15290c11274174058b1f2389a0fb6 [0,1,0,1,0,0|1,0,1]=4 20083 B11R1.284 CCCCC(C)NC1CCC1 47f346169faaa0214adf3e6954e2fdb1 [0,1,0,1,0,0|1,0,0]=3 20084 B11R1.284 CCCCC(C)NC1COC1 44ea5ad840f23e5491465dfb7502dfa5 [0,1,0,1,0,0|2,0,0]=4 20085 B11R1.284 CCCCC(C)OC1CCC1 0abff8c021120bad6728a5e6830865cb [0,1,0,1,0,0|0,0,0]=2 20086 B11R1.284 CCCCC(C)OC1COC1 1ddbe0c2b426a730e4c6998ac25b43b5 [0,1,0,1,0,0|1,0,0]=3 20087 B11R1.284 CCCCC(C)OC1CSC1 130f29c331d62702728e5b57afa7cdb4 [0,1,0,1,0,0|1,0,0]=3 20088 B11R1.284 CCCCN(C)CC1CCC1 037529b6d2d1ee765730b614f8d6b2e4 [0,1,0,1,0,0|1,0,0]=3 20089 B11R1.284 CCCCN(C)CC1CCO1 fc11ee8d63f54756350091b9e52a1345 [0,1,0,1,0,0|2,0,0]=4 20090 B11R1.284 CCCCN(C)CC1COC1 6e0e5b4b9ecebce9ed2a05a236feaa1a [0,1,0,1,0,0|2,0,0]=4 20091 B11R1.284 CCCCN(C)C[C@@H]1CCO1 ecfd4644f95de84388467a84c788426f [0,1,0,1,0,0|2,0,0]=4 20092 B11R1.284 CCCCN(C)C[C@H]1CCO1 c0b7f9c54e19896ded41224fa827fcf3 [0,1,0,1,0,0|2,0,0]=4 20093 B11R1.284 CCCC[C@@H](C)NC1CCC1 3c30b8429cbb46bdf86ba7450ebc096a [0,1,0,1,0,0|1,0,0]=3 20094 B11R1.284 CCCC[C@@H](C)NC1COC1 de3d05e70f7de7d771fd06276041f0b9 [0,1,0,1,0,0|2,0,0]=4 20095 B11R1.284 CCCC[C@@H](C)OC1CCC1 7fbf189868f358399d1be7ffd90923e3 [0,1,0,1,0,0|0,0,0]=2 20096 B11R1.284 CCCC[C@@H](C)OC1COC1 a6b385de571a7adcb5b075246c084b3b [0,1,0,1,0,0|1,0,0]=3 20097 B11R1.284 CCCC[C@H](C)OC1CCC1 851b667383c564f675a4a5f387b73641 [0,1,0,1,0,0|0,0,0]=2 20098 B11R1.284 CCCC[C@H](C)OC1COC1 40191ccbadf8501b5b67fccfcfe80f82 [0,1,0,1,0,0|1,0,0]=3 20099 B11R1.284 CCCNC(=O)CC1CCC1 e6da0d2bc72e959c075386f1a447ff43 [0,1,0,1,0,0|2,0,0]=4 20100 B11R1.284 CCOCC(C)OC1CCC1 26f417b55473169fc315becf90ccfaaf [0,1,0,1,0,0|1,0,0]=3 20101 B11R1.284 CCOCC(C)OC1COC1 bb761e18ad2e8cd33f6272123e8bf3c2 [0,1,0,1,0,0|2,0,0]=4 20102 B11R1.284 CCOCN(C)CC1CCC1 118e47ab00832388444a2394b077625e [0,1,0,1,0,0|2,0,0]=4 20103 B11R1.284 CN(CCCF)CC1CCC1 25d90db9e007de82556bb9d2e4048cda [0,1,0,1,0,0|2,0,0]=4 20104 B11R1.284 CN(CCCO)CC1CCC1 ce184d0a9f3138b704e085da37c10861 [0,1,0,1,0,0|2,0,0]=4 20105 B11R1.284 CN(CCCS)CC1CCC1 2950e5575a693d60594927555f2983d8 [0,1,0,1,0,0|2,0,0]=4 20106 B11R1.284 COCCC(C)OC1CCC1 09aae768284bdeb952c8230e39d11eb9 [0,1,0,1,0,0|1,0,0]=3 20107 B11R1.284 COCCC(C)OC1COC1 1d3eee3a64073f36d201ea7ecb19bead [0,1,0,1,0,0|2,0,0]=4 20108 B11R1.284 COCCN(C)CC1CCC1 f3052a78032fbe0d9519f7d8668927c1 [0,1,0,1,0,0|2,0,0]=4 20109 B11R1.284 CSCCN(C)CC1CCC1 b8f078ca7c6ecb43656e44fbab6a39be [0,1,0,1,0,0|2,0,0]=4 20110 B11R1.284 C[C@H](CCCO)NC1CCC1 394438102fd0a7a9ce1dee57ef4128a2 [0,1,0,1,0,0|2,0,0]=4 20111 B11R1.285 C=CCCC(C)OCC1CC1 79dc6f63e51b6b90c1514beba2456711 [0,1,0,1,0,0|0,0,2]=4 20112 B11R1.285 C=CCC[C@@H](C)OCC1CC1 df04c0c4eff4180b61704a3f7ad245ff [0,1,0,1,0,0|0,0,2]=4 20113 B11R1.285 CC(CCC#N)OCC1CC1 0f266245ff8cd380eb36ade3b41423b7 [0,1,0,1,0,0|1,0,1]=4 20114 B11R1.285 CC(CCCO)NCC1CC1 846f9cbb3bd8407cfe7257c3175eaefc [0,1,0,1,0,0|2,0,0]=4 20115 B11R1.285 CCC#CC(C)OCC1CC1 ef2bb40469e78d92a3e7f0a0eec8142c [0,1,0,1,0,0|0,0,2]=4 20116 B11R1.285 CCCCC(=O)NCC1CC1 488f9ad91fd5119acc4eb21efd20d02b [0,1,0,1,0,0|1,0,1]=4 20117 B11R1.285 CCCCC(C)COC1CC1 edb5ce0b4a7ef98131ffc0431b0f44ed [0,1,0,1,0,0|2,0,0]=4 20118 B11R1.285 CCCCC(C)NCC1CC1 1217f5aa7d79d687c077c53d61914485 [0,1,0,1,0,0|1,0,0]=3 20119 B11R1.285 CCCCC(C)OCC1CC1 5df11c7682b3253f26a7bf9083630109 [0,1,0,1,0,0|0,0,0]=2 20120 B11R1.285 CCCCC(O)CNC1CC1 e30dadf66f576e6b87f8921d4ce8e0d1 [0,1,0,1,0,0|2,0,0]=4 20121 B11R1.285 CCCCN(C)CCC1CC1 afd56bbd7545b82993f0b33860c22fad [0,1,0,1,0,0|1,0,0]=3 20122 B11R1.285 CCCC[C@@H](C)NCC1CC1 8e874d6d04c9aae790fff8dd97a2095d [0,1,0,1,0,0|1,0,0]=3 20123 B11R1.285 CCCC[C@@H](C)OCC1CC1 d001aa1e0a12ad0a3c86b5eeec8d9e93 [0,1,0,1,0,0|0,0,0]=2 20124 B11R1.285 CCCC[C@H](C)OCC1CC1 b2ef100c488ef3aa52f0f27cf40b0fd1 [0,1,0,1,0,0|0,0,0]=2 20125 B11R1.285 CCCNC(=O)CCC1CC1 5ef93a11288ca07c865318ec3237bb97 [0,1,0,1,0,0|2,0,0]=4 20126 B11R1.285 CCOCC(C)OCC1CC1 50f12835196a4de5aec8eebe66bca2c4 [0,1,0,1,0,0|1,0,0]=3 20127 B11R1.285 CN(CCCO)CCC1CC1 bd9244ce5d5473e27266d870a4688635 [0,1,0,1,0,0|2,0,0]=4 20128 B11R1.285 COCCC(C)OCC1CC1 999df85ccb873a62db27cc5ee6c429e1 [0,1,0,1,0,0|1,0,0]=3 20129 B11R1.285 COCCN(C)CCC1CC1 6ed322a67776de690ebbc16bc4dfe4b5 [0,1,0,1,0,0|2,0,0]=4 20130 B11R1.285 CSCCC(C)OCC1CC1 29e45f9bc66625fb10c89b2b4438c198 [0,1,0,1,0,0|1,0,0]=3 20131 B11R1.285 CSCCN(C)CCC1CC1 1cd94dda519e086b429322485d42dcc5 [0,1,0,1,0,0|2,0,0]=4 20132 B11R1.285 C[C@H](CCCO)NCC1CC1 358ee7226cd38f140cf04a3e0fc7a2ec [0,1,0,1,0,0|2,0,0]=4 20133 B11R1.299 C#CCCOC(C)C1CCC1 1d575371604e7510bbf3695788cb2c72 [0,1,0,1,0,0|0,0,2]=4 20134 B11R1.299 C#CCCO[C@@H](C)C1CCC1 f1b8ede89feaccd47e9dae0d4e6da501 [0,1,0,1,0,0|0,0,2]=4 20135 B11R1.299 C/C=C/COC(C)C1CCC1 6cb5da9359fa9577fbe06f17f3979a2c [0,1,0,1,0,0|0,0,2]=4 20136 B11R1.299 C/C=C/CO[C@@H](C)C1CCC1 814ea1f352665d4c202f26a61b8ec8c8 [0,1,0,1,0,0|0,0,2]=4 20137 B11R1.299 C/C=C\COC(C)C1CCC1 dd505eda0f3f0884084c94005c65b68a [0,1,0,1,0,0|0,0,2]=4 20138 B11R1.299 C/C=C\CO[C@@H](C)C1CCC1 fafd107f17fa0b06bb14362205744043 [0,1,0,1,0,0|0,0,2]=4 20139 B11R1.299 C=CCCOC(C)C1CCC1 0d79613e5d530be0544f05a033708f7b [0,1,0,1,0,0|0,0,2]=4 20140 B11R1.299 C=CCCO[C@@H](C)C1CCC1 02926563b18aa8816d8c7de003fad6cc [0,1,0,1,0,0|0,0,2]=4 20141 B11R1.299 CC#CCOC(C)C1CCC1 18951835bd177d3bbf1ec09ff1a93233 [0,1,0,1,0,0|0,0,2]=4 20142 B11R1.299 CC#CCO[C@@H](C)C1CCC1 e2021f394cceeea8a93076b7b4544db1 [0,1,0,1,0,0|0,0,2]=4 20143 B11R1.299 CC(OCCC#N)C1CCC1 6fc534f176e8981186f0575637cf7705 [0,1,0,1,0,0|1,0,1]=4 20144 B11R1.299 CC(OCCC=O)C1CCC1 01c0749dbf6c6705334d3205cbc34578 [0,1,0,1,0,0|1,0,1]=4 20145 B11R1.299 CC(OCCCF)C1CCC1 cb95051eb30754b65d21cd0db7a4ee07 [0,1,0,1,0,0|1,0,0]=3 20146 B11R1.299 CC(OCCCF)C1COC1 b03908064a1a1c09d89a28793fc21afd [0,1,0,1,0,0|2,0,0]=4 20147 B11R1.299 CC(OCCCS)C1CCC1 343e9225569133b63d90b2fed7c5a499 [0,1,0,1,0,0|1,0,0]=3 20148 B11R1.299 CC(OCCCS)C1COC1 5c3408e2c69c1ebf377b64b4b30bcdc8 [0,1,0,1,0,0|2,0,0]=4 20149 B11R1.299 CCCCCC(=O)N1CCC1 8d6c0846d448d2b87069863c4bda5b3f [0,1,0,1,0,0|2,0,0]=4 20150 B11R1.299 CCCCCC(C)N1CCC1 011f008539052aa470bf877b7bc798e5 [0,1,0,1,0,0|2,0,0]=4 20151 B11R1.299 CCCCCN(C)C1CCC1 2deb918601988401629b23a7ed3278f8 [0,1,0,1,0,0|1,0,0]=3 20152 B11R1.299 CCCCCN(C)C1COC1 e3e44e4d2a9355398ab28fe5d3d59d0a [0,1,0,1,0,0|2,0,0]=4 20153 B11R1.299 CCCCC[C@H](C)N1CCC1 adc37931243a7d94b6f0a6ae5d21c184 [0,1,0,1,0,0|2,0,0]=4 20154 B11R1.299 CCCCNC(C)C1COC1 022586a2319a3cd55201f4226f883f9e [0,1,0,1,0,0|2,0,0]=4 20155 B11R1.299 CCCCN[C@@H](C)C1COC1 5db48ca875f5875963efb0521fc32f9a [0,1,0,1,0,0|2,0,0]=4 20156 B11R1.299 CCCCN[C@H](C)C1COC1 117780025cb7f37ab3875fba6ec1b6f7 [0,1,0,1,0,0|2,0,0]=4 20157 B11R1.299 CCCCOC(C)C1CCC1 878ef5c139a56f5d55c129d403aedb74 [0,1,0,1,0,0|0,0,0]=2 20158 B11R1.299 CCCCOC(C)C1COC1 5059789400ce47b4f0e5b8b28507523b [0,1,0,1,0,0|1,0,0]=3 20159 B11R1.299 CCCCO[C@@H](C)C1CCC1 19a704631e4605a3de92a8094de5659b [0,1,0,1,0,0|0,0,0]=2 20160 B11R1.299 CCCCO[C@@H](C)C1COC1 c177f5e0c694acbb64d18cdccf98ce76 [0,1,0,1,0,0|1,0,0]=3 20161 B11R1.299 CCCCO[C@H](C)C1COC1 0d70cede65670ad77ec1ee28e5886f06 [0,1,0,1,0,0|1,0,0]=3 20162 B11R1.299 CCCNCC(=O)C1CCC1 d42d0cea915d9e675eef56f337c454c3 [0,1,0,1,0,0|2,0,0]=4 20163 B11R1.299 CCCOCC(=O)C1CCC1 c02b97b8abe184f4ddad90df8883ba45 [0,1,0,1,0,0|2,0,0]=4 20164 B11R1.299 CCOCCN(C)C1CCC1 4c461154334a4cc1b36e90876fabe36c [0,1,0,1,0,0|2,0,0]=4 20165 B11R1.299 CCOCOC(C)C1CCC1 19762735c6e8fadf9ff7e790db01951e [0,1,0,1,0,0|1,0,0]=3 20166 B11R1.299 CCOCOC(C)C1COC1 50b860eb034c09d2fbfb80e82ff35622 [0,1,0,1,0,0|2,0,0]=4 20167 B11R1.299 CCOCO[C@@H](C)C1CCC1 5d2c9a4451a76552bdaee97b8ca357b9 [0,1,0,1,0,0|1,0,0]=3 20168 B11R1.299 CCOCO[C@@H](C)C1COC1 fa08cea4fc97de2ba07e053b3e6b272b [0,1,0,1,0,0|2,0,0]=4 20169 B11R1.299 CCOCO[C@H](C)C1COC1 ce06f4762a795048692061685e7dbe75 [0,1,0,1,0,0|2,0,0]=4 20170 B11R1.299 CCSCCN(C)C1CCC1 c142d09dc93e774b3a05cb340d299c4d [0,1,0,1,0,0|2,0,0]=4 20171 B11R1.299 CN(CCCCF)C1CCC1 da16a0b87bad04c8957aaf70efba937f [0,1,0,1,0,0|2,0,0]=4 20172 B11R1.299 CN(CCCCO)C1CCC1 0f34c885f8ce35cf72f4f479f69a52d1 [0,1,0,1,0,0|2,0,0]=4 20173 B11R1.299 COCCCN(C)C1CCC1 d2d75f762fa3da1446f51790c3a3a2ad [0,1,0,1,0,0|2,0,0]=4 20174 B11R1.299 COCCOC(C)C1CCC1 ca76d33f652a0e34108c93370cdaefe7 [0,1,0,1,0,0|1,0,0]=3 20175 B11R1.299 COCCOC(C)C1COC1 7feb05b33086e197f84952ca724cfd11 [0,1,0,1,0,0|2,0,0]=4 20176 B11R1.299 COCCO[C@@H](C)C1CCC1 f58facefe9f948e3b1b2067202c98f78 [0,1,0,1,0,0|1,0,0]=3 20177 B11R1.299 COCCO[C@@H](C)C1COC1 a952008ce4c391850a47ad41ce8924a2 [0,1,0,1,0,0|2,0,0]=4 20178 B11R1.299 COCCO[C@H](C)C1COC1 e7113bbc8fdc3ef3512a5d27056831aa [0,1,0,1,0,0|2,0,0]=4 20179 B11R1.299 CSCCCN(C)C1CCC1 d51a5a65c184b3ae4656730ca0868869 [0,1,0,1,0,0|2,0,0]=4 20180 B11R1.299 CSCCOC(C)C1CCC1 114f70113b9b758573c3043f3e577de8 [0,1,0,1,0,0|1,0,0]=3 20181 B11R1.299 CSCCOC(C)C1COC1 58b81552fed3db3a1c209ccc75e750a3 [0,1,0,1,0,0|2,0,0]=4 20182 B11R1.299 CSCCO[C@@H](C)C1CCC1 4101ce4517f69f73ef1df429b1522a00 [0,1,0,1,0,0|1,0,0]=3 20183 B11R1.299 CSCCO[C@@H](C)C1COC1 a2d84f261d49a8b6ff5a5a72f2c99549 [0,1,0,1,0,0|2,0,0]=4 20184 B11R1.299 CSCCO[C@H](C)C1COC1 138104d106c685fae95b676ba8c8961a [0,1,0,1,0,0|2,0,0]=4 20185 B11R1.299 C[C@@H](OCCCF)C1COC1 39e994567df4239cdcf5f75c175c30c9 [0,1,0,1,0,0|2,0,0]=4 20186 B11R1.299 C[C@@H](OCCCS)C1COC1 700d0f88bca653426d93791202ad5e0c [0,1,0,1,0,0|2,0,0]=4 20187 B11R1.299 C[C@H](OCCC#N)C1CCC1 a198fa1fa4c6a74e774ccbae9c712c4d [0,1,0,1,0,0|1,0,1]=4 20188 B11R1.299 C[C@H](OCCC=O)C1CCC1 c31dc838c516ba431c95581a6f7821ea [0,1,0,1,0,0|1,0,1]=4 20189 B11R1.299 C[C@H](OCCCF)C1CCC1 3456e7c08ce99aeeaee4df4ae0a5a3b5 [0,1,0,1,0,0|1,0,0]=3 20190 B11R1.299 C[C@H](OCCCF)C1COC1 05b26d39e1e8f53daaa373c24a5404aa [0,1,0,1,0,0|2,0,0]=4 20191 B11R1.299 C[C@H](OCCCS)C1CCC1 852b8a0a6ab7555c996169dd4b856b6d [0,1,0,1,0,0|1,0,0]=3 20192 B11R1.299 C[C@H](OCCCS)C1COC1 7176a245f5b4eff1967e1fecbd3d69ad [0,1,0,1,0,0|2,0,0]=4 20193 B11R1.301 C#CCCOC(C)CC1CC1 a7ddae31e918e4ecb6d0fe70e3ebb12b [0,1,0,1,0,0|0,0,2]=4 20194 B11R1.301 C/C=C/COC(C)CC1CC1 040e704a7cf79146dc21d0935ba54159 [0,1,0,1,0,0|0,0,2]=4 20195 B11R1.301 C/C=C\COC(C)CC1CC1 d5a1b57611508b10963d7d404be485d1 [0,1,0,1,0,0|0,0,2]=4 20196 B11R1.301 C=CCCOC(C)CC1CC1 6d22934b15e416de316a2c547820c6a7 [0,1,0,1,0,0|0,0,2]=4 20197 B11R1.301 CC#CCOC(C)CC1CC1 745cce9488c2e2679d886a7ec2a80ac4 [0,1,0,1,0,0|0,0,2]=4 20198 B11R1.301 CC(CC1CC1)OCCC#N d033c2779fc740e549651695c8dd0e26 [0,1,0,1,0,0|1,0,1]=4 20199 B11R1.301 CC(CC1CC1)OCCC=O e2b1b9d32c20a636ea59c3698666ec31 [0,1,0,1,0,0|1,0,1]=4 20200 B11R1.301 CC(CC1CC1)OCCCF 301d7f59d630d76a0581da542f75a0d8 [0,1,0,1,0,0|1,0,0]=3 20201 B11R1.301 CC(CC1CC1)OCCCS 491b06ad6d9f2aaf004ab30381dbc2a3 [0,1,0,1,0,0|1,0,0]=3 20202 B11R1.301 CCCCCC(=O)NC1CC1 70dd38d610268ef3c26e12b23ff440ab [0,1,0,1,0,0|2,0,0]=4 20203 B11R1.301 CCCCCC(C)NC1CC1 845ba0669e10a58288570128efdbfdb2 [0,1,0,1,0,0|2,0,0]=4 20204 B11R1.301 CCCCCC(C)OC1CC1 ea23e4a35307d314848e3b830ac4a6d7 [0,1,0,1,0,0|2,0,0]=4 20205 B11R1.301 CCCCCN(C)CC1CC1 7d1dfcf06f05ff6a50fa12b1d92e2018 [0,1,0,1,0,0|1,0,0]=3 20206 B11R1.301 CCCCC[C@@H](C)OC1CC1 8332cd60325a67ec25b12cb104d25829 [0,1,0,1,0,0|2,0,0]=4 20207 B11R1.301 CCCCC[C@H](C)NC1CC1 c6727d9c6b3f04bddedfc7c1c5729095 [0,1,0,1,0,0|2,0,0]=4 20208 B11R1.301 CCCCC[C@H](C)OC1CC1 1363655c37fd0dffecc54ba2a3286e78 [0,1,0,1,0,0|2,0,0]=4 20209 B11R1.301 CCCCNC(=O)CC1CC1 e2f8f7520accb7d7daf3a5d25d7ba01f [0,1,0,1,0,0|1,0,1]=4 20210 B11R1.301 CCCCOC(C)CC1CC1 0d014f182dd909117708b69afeaba11f [0,1,0,1,0,0|0,0,0]=2 20211 B11R1.301 CCOCCN(C)CC1CC1 47162de6d2664802c093d586c2ad987a [0,1,0,1,0,0|2,0,0]=4 20212 B11R1.301 CCOCOC(C)CC1CC1 830d3c5b4ad53386d3d163a61f6dd813 [0,1,0,1,0,0|1,0,0]=3 20213 B11R1.301 CCSCCN(C)CC1CC1 b11a71d490657344cbccfc61bb79c927 [0,1,0,1,0,0|2,0,0]=4 20214 B11R1.301 CN(CCCCF)CC1CC1 e862e23ccbaf6efbf9384747c7029889 [0,1,0,1,0,0|2,0,0]=4 20215 B11R1.301 CN(CCCCO)CC1CC1 d49b8d8707fb82b7109a4bb8b6b8cc55 [0,1,0,1,0,0|2,0,0]=4 20216 B11R1.301 COCCCN(C)CC1CC1 ebba72c8bca1c113102e87f0d98c0758 [0,1,0,1,0,0|2,0,0]=4 20217 B11R1.301 COCCOC(C)CC1CC1 7acc329eee7ab1da73dacefa9f7c84e9 [0,1,0,1,0,0|1,0,0]=3 20218 B11R1.301 CSCCCN(C)CC1CC1 4236563f3b4580d8f717f80ff11dddb3 [0,1,0,1,0,0|2,0,0]=4 20219 B11R1.301 CSCCOC(C)CC1CC1 96c6ed96f0a9a1dbcee2994890ee8eb5 [0,1,0,1,0,0|1,0,0]=3 20220 B11R1.465 CC1CCC(N1CCCF)C 21c19f41b0aafdc6760c8a87218f1034 [0,1,0,1,0,0|2,0,0]=4 20221 B11R1.465 CC1CCC(N1CCCO)C 6ddff8e7e11e057da577020bd3670644 [0,1,0,1,0,0|2,0,0]=4 20222 B11R1.465 CC1CCC(N1CCCS)C 9f5b6d7faa2ee25751e961128e1b7b5a [0,1,0,1,0,0|2,0,0]=4 20223 B11R1.465 CCCCN1C(CCC1C)C 8d07aff9e9293d2c5b6481299f71bdd7 [0,1,0,1,0,0|1,0,0]=3 20224 B11R1.465 CCCCN1[C@@H](CC[C@@H]1C)C a5551023eb0ebcef9dba85e8074e2306 [0,1,0,1,0,0|1,0,0]=3 20225 B11R1.465 CCCCN1[C@@H](CC[C@H]1C)C 669de03b66a4cf80e36eb9c35cc309c8 [0,1,0,1,0,0|1,0,0]=3 20226 B11R1.465 CCCCN1[C@H](CC[C@@H]1C)C 87794b6cfe16558b94e6e01f9ee6bb77 [0,1,0,1,0,0|1,0,0]=3 20227 B11R1.465 CCOCN1C(CCC1C)C 4236a1176d0baea33bd30b3cbccf60fd [0,1,0,1,0,0|2,0,0]=4 20228 B11R1.465 CCOCN1[C@@H](CC[C@@H]1C)C 5c6f0d52b46074cac37ff84ac8e744b2 [0,1,0,1,0,0|2,0,0]=4 20229 B11R1.465 CCOCN1[C@@H](CC[C@H]1C)C a54451df06c58437f024915900d0c362 [0,1,0,1,0,0|2,0,0]=4 20230 B11R1.465 CCOCN1[C@H](CC[C@@H]1C)C db1485d8931b7a258a866dc143052519 [0,1,0,1,0,0|2,0,0]=4 20231 B11R1.465 COCCN1C(CCC1C)C 09a07aeaef7cef19065b1b4cd47beff0 [0,1,0,1,0,0|2,0,0]=4 20232 B11R1.465 COCCN1[C@@H](CC[C@@H]1C)C 4d9e7ac7eb0bd13c151b603199711ee4 [0,1,0,1,0,0|2,0,0]=4 20233 B11R1.465 COCCN1[C@@H](CC[C@H]1C)C 1fbfaa06ef3820deff2a398021d2371c [0,1,0,1,0,0|2,0,0]=4 20234 B11R1.465 COCCN1[C@H](CC[C@@H]1C)C ff8a51a560a174d7374936de2d54a271 [0,1,0,1,0,0|2,0,0]=4 20235 B11R1.465 CSCCN1C(CCC1C)C 332c3ed42a5baa360be063d3bd55c2e2 [0,1,0,1,0,0|2,0,0]=4 20236 B11R1.465 CSCCN1[C@@H](CC[C@@H]1C)C d2a543c8774aa55a51fa81d789eac66a [0,1,0,1,0,0|2,0,0]=4 20237 B11R1.465 CSCCN1[C@@H](CC[C@H]1C)C fd73332f8b75636d86a8eef7f8a52a4b [0,1,0,1,0,0|2,0,0]=4 20238 B11R1.465 CSCCN1[C@H](CC[C@@H]1C)C 3afb5dbb9f2869d03d07dbc8380db0fd [0,1,0,1,0,0|2,0,0]=4 20239 B11R1.465 C[C@@H]1CC[C@@H](N1CCCF)C 9c0183daa91809692165f9a9a4f9579f [0,1,0,1,0,0|2,0,0]=4 20240 B11R1.465 C[C@@H]1CC[C@@H](N1CCCO)C 8484f031ae201423cdd71e51d6b0d14a [0,1,0,1,0,0|2,0,0]=4 20241 B11R1.465 C[C@@H]1CC[C@@H](N1CCCS)C f286b4f2f6538456ea3390b00ad5be91 [0,1,0,1,0,0|2,0,0]=4 20242 B11R1.465 C[C@@H]1CC[C@H](N1CCCF)C 1b65632eeaf615d81af502a3d9b7945d [0,1,0,1,0,0|2,0,0]=4 20243 B11R1.465 C[C@@H]1CC[C@H](N1CCCO)C 755ada7d6706161492e35d66a5fb9cee [0,1,0,1,0,0|2,0,0]=4 20244 B11R1.465 C[C@@H]1CC[C@H](N1CCCS)C d5eec50a621108a802eafe67d1ce4293 [0,1,0,1,0,0|2,0,0]=4 20245 B11R1.465 C[C@H]1CC[C@@H](N1CCCF)C 730afb01db975bfc4d6fe9616252ddd1 [0,1,0,1,0,0|2,0,0]=4 20246 B11R1.465 C[C@H]1CC[C@@H](N1CCCO)C 2d798d2540a173974d45692d9adb9000 [0,1,0,1,0,0|2,0,0]=4 20247 B11R1.465 C[C@H]1CC[C@@H](N1CCCS)C 77c842d18b4bdf4d696d9ee3036d2229 [0,1,0,1,0,0|2,0,0]=4 20248 B11R1.605 CCCN1C(CCCC1C)C 305e7968253a52aab9f3fde8da0c3e48 [0,1,0,1,0,0|2,0,0]=4 20249 B11R1.605 CCCN1[C@@H](CCC[C@@H]1C)C a82fe994b481b8ca04b4a9c350842b96 [0,1,0,1,0,0|2,0,0]=4 20250 B11R1.605 CCCN1[C@@H](CCC[C@H]1C)C 83b3595356ded754f9d091511af89168 [0,1,0,1,0,0|2,0,0]=4 20251 B11R1.605 CCCN1[C@H](CCC[C@@H]1C)C 1530cd2f3bf9c9cafda64d939072943d [0,1,0,1,0,0|2,0,0]=4 20252 B11R1.605 CCOC1C(CCCC1C)C 30abb37be90a01722ca4faa64380cfec [0,1,0,1,0,0|2,0,0]=4 20253 B11R1.756 CC1(CCCC1)NCCCF 91597e590c5aed2bf90ec7ed2d9a7502 [0,1,0,1,0,0|2,0,0]=4 20254 B11R1.756 CC1(CCCC1)NCCCO c5ca53e62d1487f7950988431cb757e1 [0,1,0,1,0,0|2,0,0]=4 20255 B11R1.756 CC1(CCCC1)NCCCS 908e9b6fc1ba036c2a4ae1f90e42642d [0,1,0,1,0,0|2,0,0]=4 20256 B11R1.756 CCCCNC1(CCCC1)C 6a5f96d6c67ead9cd12bf552f95a1d3c [0,1,0,1,0,0|1,0,0]=3 20257 B11R1.756 CCCCNC1(CCOC1)C c3a3e66af25fc7ef40c4e70afa651492 [0,1,0,1,0,0|2,0,0]=4 20258 B11R1.756 CCCNCC1(CCCC1)C 6b0644813040b22a898c4d1bd4f6128a [0,1,0,1,0,0|2,0,0]=4 20259 B11R1.756 CCCNCC1(CCCC1)F 5ca6bf1f1ba66928e9db2997bb6c6d50 [0,1,0,1,0,0|2,0,0]=4 20260 B11R1.756 CCCNCC1(CCCC1)O a6c4d07ad14f088675aca08e422d8120 [0,1,0,1,0,0|2,0,0]=4 20261 B11R1.756 CCCOCC1(CCCC1)C 66e7e52d8350cdd447e8de4a1eea16a9 [0,1,0,1,0,0|2,0,0]=4 20262 B11R1.756 CCCOCC1(CCCC1)F 847f78730f13688811393e9d8de8b4aa [0,1,0,1,0,0|2,0,0]=4 20263 B11R1.756 CCNCCC1(CCCC1)O eeeee3c9c1b323ca4c7154c95948493d [0,1,0,1,0,0|2,0,0]=4 20264 B11R1.756 CCOCNC1(CCCC1)C f1cd763b795b4f1c877325e00c04cb18 [0,1,0,1,0,0|2,0,0]=4 20265 B11R1.756 COCCNC1(CCCC1)C f3050b4ed7381fae308aa8518cbf7b53 [0,1,0,1,0,0|2,0,0]=4 20266 B11R1.756 CSCCNC1(CCCC1)C 19bc87da29a65cf046fde744237e28b8 [0,1,0,1,0,0|2,0,0]=4 20267 B11R1.900 CCCNC1(CCCCC1)C 55a443218bf0085f3aa4c1476dfafb50 [0,1,0,1,0,0|2,0,0]=4 20268 B11R1.900 CCNCC1(CCCCC1)C 68828d74e20658c7573ce5f11f7fd50a [0,1,0,1,0,0|2,0,0]=4 20269 B11R1.900 CCNCC1(CCCCC1)O 6e9fdce0633fdfc5781ad19160026b3a [0,1,0,1,0,0|2,0,0]=4 20270 B11R1.900 CCOCC1(CCCCC1)C 9481ac9c9e0c158c30ac6952725227ed [0,1,0,1,0,0|2,0,0]=4 20271 B11R1.900 CCOCC1(CCCCC1)F 13728f352d7598795a7cc2d9458061eb [0,1,0,1,0,0|2,0,0]=4 20272 B11R1.900 CCOCC1(COCCO1)C 7187c82b63f59ae0dd297f427c89c96e [0,1,0,1,0,0|2,0,0]=4 20273 B11R2.248 CCCN1CC2CCC1C2 7d44970cf626be931e84f15fe4dce523 [0,0,0,2,0,0|2,0,0]=4 20274 B11R2.248 CCCN1C[C@@H]2CC[C@H]1C2 445846a0daee89081ba0411ac228206f [0,0,0,2,0,0|2,0,0]=4 20275 B11R2.248 CCCN1C[C@H]2CC[C@@H]1C2 1c4c24255f12d19d873a6c7679adb364 [0,0,0,2,0,0|2,0,0]=4 20276 B11R2.248 CCNC1CC2CCC1C2 4eda24c5184a2bf88ee2c91ca6c5d15c [0,0,0,2,0,0|2,0,0]=4 20277 B11R2.248 CCNC1C[C@@H]2CC[C@H]1C2 369f13427a5ceef97168f63f6ef53d2f [0,0,0,2,0,0|2,0,0]=4 20278 B11R2.248 CCN[C@@H]1CN2CC[C@H]1C2 6491355a1f917b6eb6bad1a27c18f4d1 [0,0,0,2,0,0|2,0,0]=4 20279 B11R2.248 CCN[C@@H]1C[C@H]2CC[C@@H]1C2 135a8d787ea37110c4c0d8dff4de9f42 [0,0,0,2,0,0|2,0,0]=4 20280 B11R2.248 CCN[C@@H]1C[N@]2CC[C@@H]1C2 829f8737f270119898bd15d0186e97e4 [0,0,0,2,0,0|2,0,0]=4 20281 B11R2.248 CCN[C@H]1CN2CC[C@H]1C2 4a167fcd9df8a1cc17b9f31fa69f2ce5 [0,0,0,2,0,0|2,0,0]=4 20282 B11R2.248 CCN[C@H]1C[C@H]2CC[C@@H]1C2 4a0978dfe1b5ea1eade6f1ec57321b22 [0,0,0,2,0,0|2,0,0]=4 20283 B11R2.248 CCN[C@H]1C[N@]2CC[C@@H]1C2 99758b2c16555ea94e7ff6a94c8bc9d8 [0,0,0,2,0,0|2,0,0]=4 20284 B11R2.248 CCOC1CC2CCC1C2 2081ca2c52687c9ec26f6dd79cded3d3 [0,0,0,2,0,0|2,0,0]=4 20285 B11R2.248 CCOC1CN2CCC1C2 61b5c70f5e49d9ded950d81012709280 [0,0,0,2,0,0|2,0,0]=4 20286 B11R2.248 CCOC1C[C@@H]2CC[C@H]1C2 a5999d34a2677bf36efe323919382388 [0,0,0,2,0,0|2,0,0]=4 20287 B11R2.248 CCO[C@@H]1C[C@H]2CC[C@@H]1C2 fb6639d2fcd765d3adf0e1abc7137940 [0,0,0,2,0,0|2,0,0]=4 20288 B11R2.248 CCO[C@H]1C[C@@H]2CC[C@H]1C2 d72504917e40d4f292729b43c8e19b0a [0,0,0,2,0,0|2,0,0]=4 20289 B11R2.248 CCO[C@H]1C[C@H]2CC[C@@H]1C2 831490b704d2a92add6f8aa3ab501137 [0,0,0,2,0,0|2,0,0]=4 20290 B11R2.988 CCN1CC2C1CCCC2 55d826d3f8dfe08e224100c5d2aa8c1a [0,0,0,2,0,0|2,0,0]=4 20291 B11R2.988 CCN1C[C@@H]2[C@H]1CCCC2 b05e0a8d5fc420d3a8e2a6e1699d0e2b [0,0,0,2,0,0|2,0,0]=4 20292 B11R2.76 CCCN1C2CCC1CC2 ac0c3dddebc6153339b071f553a1a180 [0,0,0,2,0,0|2,0,0]=4 20293 B11R2.76 CCCN1[C@H]2CC[C@@H]1CC2 c6c79fbbb84ff6e7c7092dfeb885e042 [0,0,0,2,0,0|2,0,0]=4 20294 B11R2.143 CCOC1CCCC12CC2 c75d043c8680aa7bf73bb1d460978d86 [0,0,0,2,0,0|2,0,0]=4 20295 B11R2.143 CCO[C@@H]1CCCC12CC2 f9a61867ba642a6cd6bd1b918fee6d84 [0,0,0,2,0,0|2,0,0]=4 20296 B11R2.163 CCN1CC2CCCC1C2 0bbbbbd5935486ec6126b94d82ae915a [0,0,0,2,0,0|2,0,0]=4 20297 B11R2.216 CCN1CCCC1C2CC2 9659dfa5169f6f2c636004280ca41bff [0,0,0,2,0,0|2,0,0]=4 20298 B11R2.216 CCN1CCC[C@@H]1C2CC2 746028b0caf61b93160486814fc19a6e [0,0,0,2,0,0|2,0,0]=4 20299 B11R2.232 CCN1C2CCC1COC2 b35521be64c817bef0f9802c422753c1 [0,0,0,2,0,0|1,0,0]=3 20300 B11R2.232 CCN1C2CCCC1CC2 918efb9820b411dd200bff5924c97081 [0,0,0,2,0,0|2,0,0]=4 20301 B11R2.232 CCN1[C@@H]2CCC[C@H]1CC2 f59959aa0de3a1c7d51c98e12ada775f [0,0,0,2,0,0|2,0,0]=4 20302 B11R2.232 CCN1[C@@H]2CC[C@H]1COC2 d44b2a0c87be0ab2afda4d5adf144774 [0,0,0,2,0,0|1,0,0]=3 20303 B11R2.232 FCN1C2CCC1COC2 22ea07bafac9d05990e3489a6af277b0 [0,0,0,2,0,0|2,0,0]=4 20304 B11R2.232 FCN1[C@@H]2CC[C@H]1COC2 6fd6d4c5c3715760c7cebcc0318569b0 [0,0,0,2,0,0|2,0,0]=4 20305 B11R2.232 OCN1C2CCC1COC2 d44e030a57d5fbdecc7f9294dee0f4d1 [0,0,0,2,0,0|2,0,0]=4 20306 B11R2.232 OCN1[C@@H]2CC[C@H]1COC2 bdd70235e376609a32b7196fc5f94468 [0,0,0,2,0,0|2,0,0]=4 20307 B11R2.17 CCN1CCC12CCCC2 4be23265abe38bd7cefe2c449d43e30b [0,0,0,2,0,0|2,0,0]=4 20308 B11R2.149 CCCOC1CCC12CC2 53e002e7be070e944646469e70847072 [0,0,0,2,0,0|2,0,0]=4 20309 B11R2.190 CCN1CCN2CCC2C1 b5463eaf98f07041cbf90ba084de4387 [0,0,0,2,0,0|2,0,0]=4 20310 B11R2.227 CCC1CCN1CC2CC2 c15e3d1adba1d8b0493884afd7d51c92 [0,0,0,2,0,0|1,0,0]=3 20311 B11R2.227 OCC1CCN1CC2CC2 da70de035a517738a9e442faf2ccba12 [0,0,0,2,0,0|2,0,0]=4 20312 B11R2.227 OC[C@@H]1CCN1CC2CC2 fb04fa7d24541913a42309af51d018af [0,0,0,2,0,0|2,0,0]=4 20313 B11R2.227 OC[C@H]1CCN1CC2CC2 a2c869ec279bb29775598052ea283dcf [0,0,0,2,0,0|2,0,0]=4 20314 B11R2.321 CCN1C2CCCCC1C2 ff90965263675eafe6cfdf06aa195f96 [0,0,0,2,0,0|2,0,0]=4 20315 B11R2.996 CCC1CCN1C2COC2 a486c95dfc4ba53a8abee5f0d9dffbf5 [0,0,0,2,0,0|2,0,0]=4 20316 B11R2.157 CCCCN1CC2CC2C1 dcd8da8c2686a49d3150656ecf2b653b [0,0,0,2,0,0|1,0,0]=3 20317 B11R2.157 CCCOC1CC2CC2C1 6109945cbd2def0bae318d86b4758568 [0,0,0,2,0,0|2,0,0]=4 20318 B11R2.157 CCCOC1C[C@@H]2C[C@@H]2C1 f6db505b774d08e1fee6356a36bc7666 [0,0,0,2,0,0|2,0,0]=4 20319 B11R2.157 CCCO[C@@H]1C[C@@H]2C[C@@H]2C1 04d12717b6a842cf84598d5431008dfb [0,0,0,2,0,0|2,0,0]=4 20320 B11R2.157 CCCO[C@H]1C[C@@H]2C[C@@H]2C1 661bd758c76a14a990770db5f3e67736 [0,0,0,2,0,0|2,0,0]=4 20321 B11R2.157 CCOCN1CC2CC2C1 f23deba68bc62d10df67d01b2841127c [0,0,0,2,0,0|2,0,0]=4 20322 B11R2.157 COCCN1CC2CC2C1 c2a8a37f37281a54a6bb37751803a718 [0,0,0,2,0,0|2,0,0]=4 20323 B11R2.157 CSCCN1CC2CC2C1 dbb72b8b97717549616b76e06f4d8922 [0,0,0,2,0,0|2,0,0]=4 20324 B11R2.157 FCCCN1CC2CC2C1 8e54d7ae8429db3e23d9de789ba24560 [0,0,0,2,0,0|2,0,0]=4 20325 B11R2.157 OCCCN1CC2CC2C1 b739f0d5ce0014888095e0112a9af023 [0,0,0,2,0,0|2,0,0]=4 20326 B11R2.157 SCCCN1CC2CC2C1 243f717faeb1bab0a0806a2dd6275252 [0,0,0,2,0,0|2,0,0]=4 20327 B11R2.164 CCN1CC2CCC1CC2 35d9820bc3fa226d38c200847196ef40 [0,0,0,2,0,0|2,0,0]=4 20328 B11R2.164 CCN1C[C@H]2CC[C@@H]1CC2 77f65063d359399cc21b45ba67184df4 [0,0,0,2,0,0|2,0,0]=4 20329 B11R2.238 C1CCC(CC1)NC2CC2 67414eb6c277280a10bb94ef99d9b19b [0,0,0,2,0,0|2,0,0]=4 20330 B11R2.238 C1CCC(CC1)OC2CC2 264083d7355d6967959ae346eed064fb [0,0,0,2,0,0|2,0,0]=4 20331 B11R2.238 C1CCC(OC1)NC2CC2 73e404b6a6d79cd757457bebe1885e0a [0,0,0,2,0,0|1,0,0]=3 20332 B11R2.238 C1CCC(OC1)OC2CC2 8d047b0ee873458643c65ea6406fefd8 [0,0,0,2,0,0|1,0,0]=3 20333 B11R2.238 C1CN(CCO1)CC2CC2 d34f1e084c3c51ebe783159bef3e3a38 [0,0,0,2,0,0|2,0,0]=4 20334 B11R2.238 C1CN(CCS1)CC2CC2 ae7e639401ab99a5d6c572b59e469d0e [0,0,0,2,0,0|2,0,0]=4 20335 B11R2.238 C1COCN(C1)CC2CC2 82ee1e2ec04f55da772e1647fc54959d [0,0,0,2,0,0|2,0,0]=4 20336 B11R2.238 C1CSCN(C1)CC2CC2 efd3f0264dbe5783f78adae46984c823 [0,0,0,2,0,0|2,0,0]=4 20337 B11R2.239 C1CC(C1)N2CCCOC2 5cfee0a76b1b9cc246ca2ce696154a81 [0,0,0,2,0,0|2,0,0]=4 20338 B11R2.239 C1CC(C1)N2CCCSC2 b1b7e002acd06c7eab7ac948dd5c8946 [0,0,0,2,0,0|2,0,0]=4 20339 B11R2.239 C1CC(C1)N2CCOCC2 b98abdcdac3aa25d7b7244f832ace192 [0,0,0,2,0,0|2,0,0]=4 20340 B11R2.239 C1CC(C1)N2CCSCC2 9ba23be17d561a35b9746021485e5bf2 [0,0,0,2,0,0|2,0,0]=4 20341 B11R2.239 C1CCC(CC1)N2CCC2 bbbc118d3ebd71a44a528cf1e5c7a2ee [0,0,0,2,0,0|2,0,0]=4 20342 B11R2.239 C1CCC(OC1)N2CCC2 002fa20e2bc02a6236c68dea38424a5d [0,0,0,2,0,0|1,0,0]=3 20343 B11R2.258 CCCCN1C2C1CCC2 b74695e4251e8fc4e41770504b1ec642 [0,0,0,2,0,0|1,0,0]=3 20344 B11R2.258 CCOCN1C2C1CCC2 0fc1075ad15ab8c045c084b238d8fb4b [0,0,0,2,0,0|2,0,0]=4 20345 B11R2.258 COCCN1C2C1CCC2 62b29639dfe696011639990ce3b88ca9 [0,0,0,2,0,0|2,0,0]=4 20346 B11R2.258 CSCCN1C2C1CCC2 63610b9cd6233453572e99cf907774ef [0,0,0,2,0,0|2,0,0]=4 20347 B11R2.258 FCCCN1C2C1CCC2 69e6a1f3b8dcef37854fde050f3fab85 [0,0,0,2,0,0|2,0,0]=4 20348 B11R2.258 OCCCN1C2C1CCC2 28eb2686f98f05deaa970e4151e991a5 [0,0,0,2,0,0|2,0,0]=4 20349 B11R2.258 SCCCN1C2C1CCC2 f3c790ecb3d191b2012241de81fdc4f6 [0,0,0,2,0,0|2,0,0]=4 20350 B11R2.635 CCCN1C2C1CCCC2 0c3378a4c83f77f89baf0bf506810475 [0,0,0,2,0,0|2,0,0]=4 20351 B11R2.927 CCCCN1CCC2C1C2 e66fdd42f2c954c3a37ef973c26c7bb0 [0,0,0,2,0,0|1,0,0]=3 20352 B11R2.927 CCCOC1CCC2C1C2 5c2073fe79538f37015338c16dbd7c40 [0,0,0,2,0,0|2,0,0]=4 20353 B11R2.927 CCCO[C@@H]1CC[C@@H]2[C@H]1C2 f314f993b077521422f5f16e10278801 [0,0,0,2,0,0|2,0,0]=4 20354 B11R2.927 CCOCN1CCC2C1C2 c825e88b519f2146c35441faf43c66b6 [0,0,0,2,0,0|2,0,0]=4 20355 B11R2.927 COCCN1CCC2C1C2 8c574fbf5cb38638d7a3a6184252cdb9 [0,0,0,2,0,0|2,0,0]=4 20356 B11R2.927 CSCCN1CCC2C1C2 0e2cfffe48386d000a98a7325cf9683c [0,0,0,2,0,0|2,0,0]=4 20357 B11R2.927 FCCCN1CCC2C1C2 6be7dd9adf0ccbce1694d8059d514c72 [0,0,0,2,0,0|2,0,0]=4 20358 B11R2.927 OCCCN1CCC2C1C2 46a1fd202e7b9e3379424fd69d26b829 [0,0,0,2,0,0|2,0,0]=4 20359 B11R2.927 SCCCN1CCC2C1C2 2ccdd3b109c051d3576a6405b4a675c0 [0,0,0,2,0,0|2,0,0]=4 20360 B11R2.266 CCN1CCC2CCC1C2 312584f75ece8e9471cf0c2bbfe343c3 [0,0,0,2,0,0|2,0,0]=4 20361 B11R2.266 CCN1CCN2CCC1C2 87465ec7b95a76cd560f157d68f07ab8 [0,0,0,2,0,0|2,0,0]=4 20362 B11R2.266 CCN1CCN2CC[C@@H]1C2 3cdc17d1179f0ba777ed01c5f136b8fd [0,0,0,2,0,0|2,0,0]=4 20363 B11R2.266 CCN1CC[C@@H]2CC[C@H]1C2 ac0dfaffc27ba1008609ec5b55880331 [0,0,0,2,0,0|2,0,0]=4 20364 B11R2.22 CCN1CCOCC12CC2 413fa81ecf76c2e054dcec69862ca38d [0,0,0,2,0,0|1,0,0]=3 20365 B11R2.22 FCN1CCOCC12CC2 5c69cd5ad76737fb92638671ad33891a [0,0,0,2,0,0|2,0,0]=4 20366 B11R2.22 OCN1CCOCC12CC2 5288fc24513682621d83bfdedcfd0a7e [0,0,0,2,0,0|2,0,0]=4 20367 B11R2.2 C1CCC(C1)N2CCSC2 6e9d358a86e58975d71e4672b2ac82ee [0,0,0,2,0,0|2,0,0]=4 20368 B11R2.5 CC1CC1NC2CCCC2 dcb162399bb0b68fc47282a2d3e0768e [0,0,0,2,0,0|1,0,0]=3 20369 B11R2.5 CC1CC1NC2CCOC2 5efc6872eb0a85f8949af0c44f8e736b [0,0,0,2,0,0|2,0,0]=4 20370 B11R2.5 CC1CC1N[C@@H]2CCOC2 f7f9bd302bc4c60ce24f3cf4ed61d127 [0,0,0,2,0,0|2,0,0]=4 20371 B11R2.5 CC1CC1N[C@H]2CCOC2 b7abf64eb91171d02eaba90ea263de53 [0,0,0,2,0,0|2,0,0]=4 20372 B11R2.5 F[C@@H]1C[C@@H]1NC2CCCC2 82ad3d4d322c4d24b736d02819a667d3 [0,0,0,2,0,0|2,0,0]=4 20373 B11R2.5 F[C@@H]1C[C@H]1NC2CCCC2 3e6f849a3e15e265262cae171a722f90 [0,0,0,2,0,0|2,0,0]=4 20374 B11R2.5 F[C@H]1C[C@@H]1NC2CCCC2 ad492aa30e466c05c01b4d85eeadd386 [0,0,0,2,0,0|2,0,0]=4 20375 B11R2.6 CCNC1CC12CCCC2 734710eee9a6161f28d08e0ff96de3e8 [0,0,0,2,0,0|2,0,0]=4 20376 B11R2.98 CCCN1CC2C1CCC2 8f6bc4b888e96d88350e422f9cd256d5 [0,0,0,2,0,0|2,0,0]=4 20377 B11R2.98 CCCN1C[C@H]2[C@@H]1CCC2 2f6b1faf4f75a399cbc3f2f30becbe48 [0,0,0,2,0,0|2,0,0]=4 20378 B11R2.237 C1=CC(CC1)OC2CCC2 7321675555f0574ef67f929f16336901 [0,0,0,2,0,0|0,0,2]=4 20379 B11R2.237 C1=CCC(C1)OC2CCC2 8826889aeb75551e8b1baed73707023d [0,0,0,2,0,0|0,0,2]=4 20380 B11R2.237 C1CC(C1)CN2CCSC2 3728c1e99579958bd02088251f671f65 [0,0,0,2,0,0|2,0,0]=4 20381 B11R2.237 C1CC(C1)NC2CCOC2 44373ef196e3ae0db23e356c9ef2da4d [0,0,0,2,0,0|2,0,0]=4 20382 B11R2.237 C1CC(C1)NC2CCSC2 3d1e030c294477d08546b9a050280ec7 [0,0,0,2,0,0|2,0,0]=4 20383 B11R2.237 C1CC(C1)N[C@@H]2CCOC2 4e2f7928e118655a6d73f806eb989e4c [0,0,0,2,0,0|2,0,0]=4 20384 B11R2.237 C1CC(C1)N[C@H]2CCOC2 04d074d06584d11949474170cc80097b [0,0,0,2,0,0|2,0,0]=4 20385 B11R2.237 C1CC(C1)OC2CCCO2 f5dd29c2e58a83f491875309ad9c15a7 [0,0,0,2,0,0|1,0,0]=3 20386 B11R2.237 C1CC(C1)OC2CCOC2 633b17ae2865bbb95ceb8bac26645fde [0,0,0,2,0,0|1,0,0]=3 20387 B11R2.237 C1CC(C1)OC2CCSC2 e1ace76c3f3e2960fae4dc3974581996 [0,0,0,2,0,0|1,0,0]=3 20388 B11R2.237 C1CC(C1)O[C@@H]2CCOC2 22abcdbdc6ade17bedd7fefa27316371 [0,0,0,2,0,0|1,0,0]=3 20389 B11R2.237 C1CC(C1)O[C@@H]2CCSC2 d3972d8418f7d1525e21b1ba98543c12 [0,0,0,2,0,0|1,0,0]=3 20390 B11R2.237 C1CC(C1)O[C@H]2CCOC2 584b5d0577b8771e2ed8635af53f60bf [0,0,0,2,0,0|1,0,0]=3 20391 B11R2.237 C1CC(C1)O[C@H]2CCSC2 42e82a4955db10312cce7cc1a238a252 [0,0,0,2,0,0|1,0,0]=3 20392 B11R2.237 C1CC(CO1)OC2COC2 f6a99055333d5903361e1d32a0a86c7d [0,0,0,2,0,0|2,0,0]=4 20393 B11R2.237 C1CC(CO1)OC2CSC2 f0d53e143deebd83fafab9540b589d42 [0,0,0,2,0,0|2,0,0]=4 20394 B11R2.237 C1CC(CS1)OC2COC2 a05e997bd2b5af52df0145eef9769d4e [0,0,0,2,0,0|2,0,0]=4 20395 B11R2.237 C1CCC(C1)CN2CCC2 7a2f0b648ffa0ea9265cd6ad17309d59 [0,0,0,2,0,0|2,0,0]=4 20396 B11R2.237 C1CCC(C1)NC2CCC2 05bc4320a98177fe017ae1a16f217775 [0,0,0,2,0,0|1,0,0]=3 20397 B11R2.237 C1CCC(C1)NC2COC2 f37b902e1359f58c68bcb818baf8ff18 [0,0,0,2,0,0|2,0,0]=4 20398 B11R2.237 C1CCC(C1)OC2CCC2 05beb85106976ee8fcb796ee6943e598 [0,0,0,2,0,0|0,0,0]=2 20399 B11R2.237 C1CCC(C1)OC2COC2 38d41e77912c612a45d27b8d5ae13347 [0,0,0,2,0,0|1,0,0]=3 20400 B11R2.237 C1CCC(C1)OC2CSC2 aa7adedff6ee27c12e93eca69323995d [0,0,0,2,0,0|1,0,0]=3 20401 B11R2.237 C1COC(C1)OC2COC2 a41d475f91c19460900698d9758aaf69 [0,0,0,2,0,0|2,0,0]=4 20402 B11R2.237 C1C[C@@H](CO1)OC2COC2 7d4b188433da98052a4a6c734ec1070c [0,0,0,2,0,0|2,0,0]=4 20403 B11R2.237 C1C[C@@H](CO1)OC2CSC2 70d09b07ddbcee159f6052c1e4021bac [0,0,0,2,0,0|2,0,0]=4 20404 B11R2.237 C1C[C@@H](CS1)OC2COC2 5c5a2b845d046298e0f6d9d579ec90ce [0,0,0,2,0,0|2,0,0]=4 20405 B11R2.237 C1C[C@H](CO1)OC2COC2 235bfb5a949a883e5d5953cfe9ca7ecf [0,0,0,2,0,0|2,0,0]=4 20406 B11R2.237 C1C[C@H](CO1)OC2CSC2 7e3977be6d8363706496ea75eba3f767 [0,0,0,2,0,0|2,0,0]=4 20407 B11R2.237 C1C[C@H](CS1)OC2COC2 9aeb8e517e8341f5e60e7bf1285c8d5a [0,0,0,2,0,0|2,0,0]=4 20408 B11R2.385 C1=CC(CC1)OCC2CC2 a1e7e625c513f7fd81a5da1e658bf96b [0,0,0,2,0,0|0,0,2]=4 20409 B11R2.385 C1=CCC(C1)OCC2CC2 3ecea56aa5697c7510438994765295f2 [0,0,0,2,0,0|0,0,2]=4 20410 B11R2.385 C1CC(CO1)NCC2CC2 2d875b4fe440db2c4b05f1dd06879b6c [0,0,0,2,0,0|2,0,0]=4 20411 B11R2.385 C1CC(CO1)OCC2CC2 e926ef06a8a413f0d883a2e49de9032c [0,0,0,2,0,0|1,0,0]=3 20412 B11R2.385 C1CC(CS1)NCC2CC2 5a23ceec0e65aebab60cd2c63e95023e [0,0,0,2,0,0|2,0,0]=4 20413 B11R2.385 C1CC(CS1)OCC2CC2 1009fda2af6875b1a917d25e65e5ffdd [0,0,0,2,0,0|1,0,0]=3 20414 B11R2.385 C1CCC(C1)CNC2CC2 3a992a16163962a7da19b3ddbe5b3ef6 [0,0,0,2,0,0|2,0,0]=4 20415 B11R2.385 C1CCC(C1)COC2CC2 187a867e1d7884834e6281b63c966aa2 [0,0,0,2,0,0|2,0,0]=4 20416 B11R2.385 C1CCC(C1)NCC2CC2 3def0a6d5719e9a5f320afb8396f1ca9 [0,0,0,2,0,0|1,0,0]=3 20417 B11R2.385 C1CCC(C1)OCC2CC2 41b96d6a517aeeb0047855ceea0173fb [0,0,0,2,0,0|0,0,0]=2 20418 B11R2.385 C1CCN(C1)COC2CC2 b4a2274750846805b4718f9c2220c98f [0,0,0,2,0,0|2,0,0]=4 20419 B11R2.385 C1CN(CS1)CCC2CC2 5891dc687383cee6f9e56b71dda04094 [0,0,0,2,0,0|2,0,0]=4 20420 B11R2.385 C1COC(C1)OCC2CC2 344094f74b93d9b55e671ff1579a298e [0,0,0,2,0,0|1,0,0]=3 20421 B11R2.385 C1C[C@@H](CO1)NCC2CC2 90e60e8af0ec57f2513373b663713956 [0,0,0,2,0,0|2,0,0]=4 20422 B11R2.385 C1C[C@@H](CO1)OCC2CC2 9dc2ffe4935aa62fb15c045babfbd543 [0,0,0,2,0,0|1,0,0]=3 20423 B11R2.385 C1C[C@@H](CS1)OCC2CC2 b78ee102f310406c5ff82e4681627b6b [0,0,0,2,0,0|1,0,0]=3 20424 B11R2.385 C1C[C@H](CO1)NCC2CC2 22255ec27c41b4a1500827aa0f781cb2 [0,0,0,2,0,0|2,0,0]=4 20425 B11R2.385 C1C[C@H](CO1)OCC2CC2 58b41fdeeba948be5d3b5d9e88a47240 [0,0,0,2,0,0|1,0,0]=3 20426 B11R2.385 C1C[C@H](CS1)OCC2CC2 1c819285a31241ba703c5bcdbe36c476 [0,0,0,2,0,0|1,0,0]=3 20427 B11R2.867 CCCOCC12CCC1C2 6003a1ab255d99c19cbd0f0dbf21073b [0,0,0,2,0,0|2,0,0]=4 20428 B11R2.15 CCN1CC2CCCC2C1 5fe17f7977eed82ff9079dbc13709a8b [0,0,0,2,0,0|2,0,0]=4 20429 B11R2.15 CCN1CC2CCOC2C1 15e9485264acf5e1c26e0fa818d0e8e7 [0,0,0,2,0,0|1,0,0]=3 20430 B11R2.15 CCN1C[C@H]2CCC[C@H]2C1 e693eeeec3fb6d2a6a540f021c258518 [0,0,0,2,0,0|2,0,0]=4 20431 B11R2.15 FCN1CC2CCOC2C1 9607bd1792ee82206b06d5f1c62110a7 [0,0,0,2,0,0|2,0,0]=4 20432 B11R2.15 OCN1CC2CCOC2C1 e805d25b80b052118705e58c1a6eb73f [0,0,0,2,0,0|2,0,0]=4 20433 B11R2.115 CC1CCCC1OC2CC2 3fe066ee984e3fd4858378cd402ff75e [0,0,0,2,0,0|2,0,0]=4 20434 B11R2.115 CC1CCCN1CC2CC2 c4c5e930ccf877edaa829c12e75867ab [0,0,0,2,0,0|1,0,0]=3 20435 B11R2.115 CC1SCCN1CC2CC2 be8c92c8787cb71977eba61d5e3939dc [0,0,0,2,0,0|2,0,0]=4 20436 B11R2.115 C[C@@H]1CCCN1CC2CC2 8042dbe939c8e3d2e3aabccce0bf4436 [0,0,0,2,0,0|1,0,0]=3 20437 B11R2.115 C[C@@H]1CCC[C@@H]1OC2CC2 ab08041f0c9affdaab8f467c76b539e0 [0,0,0,2,0,0|2,0,0]=4 20438 B11R2.115 C[C@@H]1CCC[C@H]1OC2CC2 89ac3bb504e204c94150f1d164f5a465 [0,0,0,2,0,0|2,0,0]=4 20439 B11R2.115 C[C@H]1CCCN1CC2CC2 fd97e1361a7828636c856d8600f9c1c0 [0,0,0,2,0,0|1,0,0]=3 20440 B11R2.115 C[C@H]1CCC[C@@H]1OC2CC2 6e29195f9cbad39eb2aea256a7f0cd9e [0,0,0,2,0,0|2,0,0]=4 20441 B11R2.115 C[C@H]1CCC[C@H]1OC2CC2 3e501d5ed69e8e85f5a7e2d20fd76095 [0,0,0,2,0,0|2,0,0]=4 20442 B11R2.115 OC1CCCN1CC2CC2 dc312bdc6babedd4e8022e0a1df9cb08 [0,0,0,2,0,0|2,0,0]=4 20443 B11R2.155 CCCCN1CC2CC1C2 57a8c62feb8c253ab631c14e885a1f3e [0,0,0,2,0,0|1,0,0]=3 20444 B11R2.155 CCOCN1CC2CC1C2 1b19fc4f23b6ca9f130abba7d912a467 [0,0,0,2,0,0|2,0,0]=4 20445 B11R2.155 COCCN1CC2CC1C2 a7f07193291cde11c7912fdf99fe19c9 [0,0,0,2,0,0|2,0,0]=4 20446 B11R2.155 CSCCN1CC2CC1C2 bb82167d8c12d83f33c6e694dd8f39b5 [0,0,0,2,0,0|2,0,0]=4 20447 B11R2.155 FCCCN1CC2CC1C2 2b0cb02e4446c640f5b0b57209c76a29 [0,0,0,2,0,0|2,0,0]=4 20448 B11R2.155 OCCCN1CC2CC1C2 9b3d7e4ba25b5452da6d7e0fc2ba822a [0,0,0,2,0,0|2,0,0]=4 20449 B11R2.155 SCCCN1CC2CC1C2 f76f90396583616a608a510dad30719f [0,0,0,2,0,0|2,0,0]=4 20450 B11R2.459 CC1CCCN1C2COC2 7468ee4ef6dd5b977782d495a55e5930 [0,0,0,2,0,0|2,0,0]=4 20451 B11R2.459 C[C@@H]1CCCN1C2COC2 c8e4bb899aff634ae6c835066c98c810 [0,0,0,2,0,0|2,0,0]=4 20452 B11R2.459 C[C@H]1CCCN1C2COC2 e1b4b76412b744cc61f4bf03abc0e2f3 [0,0,0,2,0,0|2,0,0]=4 20453 B11R2.97 CCCN1CC2CCC2C1 3abe846abea745491b3c798c6fcd0b87 [0,0,0,2,0,0|2,0,0]=4 20454 B11R2.362 CC1OCC1NCC2CC2 6c458d3fbe243381a7d3bd125c15e973 [0,0,0,2,0,0|2,0,0]=4 20455 B11R2.362 CC1OCC1OCC2CC2 dd4e197bae4c8a5f763d500b5d70acf5 [0,0,0,2,0,0|1,0,0]=3 20456 B11R2.362 C[C@@H]1CC[C@@H]1NCC2CC2 c78140562b0fdb5a18477f00e8591020 [0,0,0,2,0,0|1,0,0]=3 20457 B11R2.362 C[C@@H]1CC[C@H]1NCC2CC2 50b347343dab1b8e51fd2172d59cbc4c [0,0,0,2,0,0|1,0,0]=3 20458 B11R2.362 FC1CCC1NCC2CC2 516b19d34867634749c51d93b198584b [0,0,0,2,0,0|2,0,0]=4 20459 B11R2.362 O=C1CCC1OCC2CC2 5706599a9a07fd289fe670884408ae20 [0,0,0,2,0,0|1,0,1]=4 20460 B11R2.362 OC1CCC1NCC2CC2 00f3d64dcea9a14b42e98dc3baf24fff [0,0,0,2,0,0|2,0,0]=4 20461 B11R2.362 O[C@@H]1CC[C@@H]1NCC2CC2 b1d94b5bec1830d85863af0454ac7c55 [0,0,0,2,0,0|2,0,0]=4 20462 B11R2.362 O[C@@H]1CC[C@H]1NCC2CC2 aff55c96f540730bae789cdb808bb532 [0,0,0,2,0,0|2,0,0]=4 20463 B11R2.362 O[C@H]1CC[C@@H]1NCC2CC2 b82673de3193bb50b7f2db67749f5e20 [0,0,0,2,0,0|2,0,0]=4 20464 B11R2.362 O[C@H]1CC[C@H]1NCC2CC2 3e529a8101c51eb0ef0fb57fd2a6d01b [0,0,0,2,0,0|2,0,0]=4 20465 B11R2.512 CC1OCC1NC2CCC2 a0be257ce21810f8f6ba19597a1be23d [0,0,0,2,0,0|2,0,0]=4 20466 B11R2.512 CC1OCC1OC2CCC2 303ae271e6b79f2e466cf957bf0141b7 [0,0,0,2,0,0|1,0,0]=3 20467 B11R2.512 CC1OCC1OC2COC2 ee531b92c6a72404a85ed28d63fdbef3 [0,0,0,2,0,0|2,0,0]=4 20468 B11R2.512 C[C@@H]1CC[C@@H]1NC2CCC2 9c3fec8ad68000c7813f7aa59bc1315b [0,0,0,2,0,0|1,0,0]=3 20469 B11R2.512 C[C@@H]1CC[C@@H]1NC2COC2 63372902245d6657ecd0c4af6357bd7d [0,0,0,2,0,0|2,0,0]=4 20470 B11R2.512 C[C@@H]1CC[C@H]1NC2CCC2 ac3fc3aee36e0112c08c8b5de17fddcf [0,0,0,2,0,0|1,0,0]=3 20471 B11R2.512 C[C@@H]1CC[C@H]1NC2COC2 915e8ae8eb493a6c85a02304eca35101 [0,0,0,2,0,0|2,0,0]=4 20472 B11R2.512 FC1CCC1NC2CCC2 637caa01b5dd0b681579ffb79fa8e1d5 [0,0,0,2,0,0|2,0,0]=4 20473 B11R2.512 OC1CCC1NC2CCC2 9732c24f9fa61af49c02e2e379f26ebc [0,0,0,2,0,0|2,0,0]=4 20474 B11R2.512 O[C@@H]1CC[C@@H]1NC2CCC2 bd4527140a2a50db7fd6f53e28b94dc7 [0,0,0,2,0,0|2,0,0]=4 20475 B11R2.512 O[C@@H]1CC[C@H]1NC2CCC2 4cbc1565c07fd6b3d791d60843bc34f4 [0,0,0,2,0,0|2,0,0]=4 20476 B11R2.512 O[C@H]1CC[C@@H]1NC2CCC2 93d4f7b7520b33a576ce9f2aae44492f [0,0,0,2,0,0|2,0,0]=4 20477 B11R2.512 O[C@H]1CC[C@H]1NC2CCC2 a67d29c6568215428a8c360af025ae1c [0,0,0,2,0,0|2,0,0]=4 20478 B11R2.82 CCCN1CCC2CC2C1 af50eaf29419972fcd8eb0d01e011efa [0,0,0,2,0,0|2,0,0]=4 20479 B11R2.82 CCNC1CCC2CC2C1 c151ded54d26976c2aadcd205ecc98c2 [0,0,0,2,0,0|2,0,0]=4 20480 B11R2.82 CCN[C@@H]1CCC2CC2C1 a429665b60d33ad179f456866ec22e06 [0,0,0,2,0,0|2,0,0]=4 20481 B11R2.82 CCN[C@H]1CCC2CC2C1 c65bb726ef430a816008ef5b52b7ae2a [0,0,0,2,0,0|2,0,0]=4 20482 B11R2.444 C=C1CC1COCC2CC2 5dbf622f51a482c0fc5064121b38a3d2 [0,0,0,2,0,0|0,0,2]=4 20483 B11R2.444 CC1CC1COCC2CC2 61061d9fa68e6143f9d700712fc8e460 [0,0,0,2,0,0|0,0,0]=2 20484 B11R2.444 CC1CC1NCCC2CC2 2e6757f02ddd267db81dd4061bce6830 [0,0,0,2,0,0|1,0,0]=3 20485 B11R2.444 C[C@@H]1C[C@H]1COCC2CC2 90de7dfcfe10b41f1449d192fb2ed3db [0,0,0,2,0,0|0,0,0]=2 20486 B11R2.444 C[C@H]1C[C@@H]1COCC2CC2 fa046008643438ec15ffa99f33347644 [0,0,0,2,0,0|0,0,0]=2 20487 B11R2.444 C[C@H]1C[C@H]1COCC2CC2 80592bdf5695b9b40d6677203b7298ac [0,0,0,2,0,0|0,0,0]=2 20488 B11R2.444 F[C@@H]1C[C@@H]1COCC2CC2 488bf50f19443604ddfaf9fe6c389180 [0,0,0,2,0,0|1,0,0]=3 20489 B11R2.444 F[C@@H]1C[C@@H]1NCCC2CC2 3a3ef7d371239b925c0445515035fcaf [0,0,0,2,0,0|2,0,0]=4 20490 B11R2.444 F[C@@H]1C[C@H]1COCC2CC2 9b5e0417fd18552b4e50e15b825ea476 [0,0,0,2,0,0|1,0,0]=3 20491 B11R2.444 F[C@@H]1C[C@H]1NCCC2CC2 f0d4149bb018c828ca3ee20ee533535a [0,0,0,2,0,0|2,0,0]=4 20492 B11R2.444 F[C@H]1C[C@@H]1COCC2CC2 037ff1481f89d0c59dc151021c7e8e05 [0,0,0,2,0,0|1,0,0]=3 20493 B11R2.444 F[C@H]1C[C@@H]1NCCC2CC2 a0be557fd29ffe756663a018479eaeb0 [0,0,0,2,0,0|2,0,0]=4 20494 B11R2.444 F[C@H]1C[C@H]1COCC2CC2 15ce8ac380c3519a5628c491665ee729 [0,0,0,2,0,0|1,0,0]=3 20495 B11R2.774 C=C1CC1COC2CCC2 496cac3d2e0eb4129964df5eeeba86d3 [0,0,0,2,0,0|0,0,2]=4 20496 B11R2.774 CC1CC1COC2CCC2 8a870387fa656406f19a89eefffbc446 [0,0,0,2,0,0|0,0,0]=2 20497 B11R2.774 CC1CC1COC2COC2 7fceaf92ae239f3287ee5b3ee83828c8 [0,0,0,2,0,0|1,0,0]=3 20498 B11R2.774 CC1CC1NCC2CCC2 1a74425a3e11f40b65985743557a9fad [0,0,0,2,0,0|1,0,0]=3 20499 B11R2.774 CC1CC1NCC2CCO2 29187673dff94928a39079d3f8ccb5a9 [0,0,0,2,0,0|2,0,0]=4 20500 B11R2.774 CC1CC1NCC2COC2 7f8cdad5793ce6508de7d318a4217e7c [0,0,0,2,0,0|2,0,0]=4 20501 B11R2.774 CC1CC1NC[C@@H]2CCO2 c9f83d71394849b33d49fba41f5744d2 [0,0,0,2,0,0|2,0,0]=4 20502 B11R2.774 CC1CC1NC[C@H]2CCO2 78cb18c084881e5cd02b08d7f1346064 [0,0,0,2,0,0|2,0,0]=4 20503 B11R2.774 C[C@@H]1C[C@H]1COC2CCC2 bb6a367f4103ba291518c7b39daf4e09 [0,0,0,2,0,0|0,0,0]=2 20504 B11R2.774 C[C@@H]1C[C@H]1COC2COC2 bfff8b4582589585380af8e89eef6c33 [0,0,0,2,0,0|1,0,0]=3 20505 B11R2.774 C[C@H]1C[C@@H]1COC2CCC2 cc411812ab46a2e0f97833d4d4bf131e [0,0,0,2,0,0|0,0,0]=2 20506 B11R2.774 C[C@H]1C[C@@H]1COC2COC2 d057d0e501d9c04edbf39726a783aa4d [0,0,0,2,0,0|1,0,0]=3 20507 B11R2.774 C[C@H]1C[C@H]1COC2CCC2 2a7025523b5cddf8227df190da2d1adf [0,0,0,2,0,0|0,0,0]=2 20508 B11R2.774 C[C@H]1C[C@H]1COC2COC2 b4b56b37bc583947b0325efcaa1175bd [0,0,0,2,0,0|1,0,0]=3 20509 B11R2.774 F[C@@H]1C[C@@H]1COC2CCC2 628c0a2e4ce57b6a23ed33b50370fddb [0,0,0,2,0,0|1,0,0]=3 20510 B11R2.774 F[C@@H]1C[C@@H]1COC2COC2 bb4af1b914b9c97976db997b39358c8c [0,0,0,2,0,0|2,0,0]=4 20511 B11R2.774 F[C@@H]1C[C@@H]1NCC2CCC2 f99ff7fc4110f2ce89ccd96b4b5e75d5 [0,0,0,2,0,0|2,0,0]=4 20512 B11R2.774 F[C@@H]1C[C@H]1COC2CCC2 27c85687c018a27c18a890bfa611c99e [0,0,0,2,0,0|1,0,0]=3 20513 B11R2.774 F[C@@H]1C[C@H]1COC2COC2 865a0aa102640f3ca7ab2d8b334e63f4 [0,0,0,2,0,0|2,0,0]=4 20514 B11R2.774 F[C@@H]1C[C@H]1NCC2CCC2 819ce918df676b11781f18a49aab4e06 [0,0,0,2,0,0|2,0,0]=4 20515 B11R2.774 F[C@H]1C[C@@H]1COC2CCC2 77751aeda3b775a38034b72deb0cae03 [0,0,0,2,0,0|1,0,0]=3 20516 B11R2.774 F[C@H]1C[C@@H]1COC2COC2 83329894427e9f74ed92c708b07787c8 [0,0,0,2,0,0|2,0,0]=4 20517 B11R2.774 F[C@H]1C[C@@H]1NCC2CCC2 774c62572eeb3fb64a449eeda7c7a27e [0,0,0,2,0,0|2,0,0]=4 20518 B11R2.774 F[C@H]1C[C@H]1COC2CCC2 8b0fd009e9f632b529bbabd7e626d4f4 [0,0,0,2,0,0|1,0,0]=3 20519 B11R2.774 F[C@H]1C[C@H]1COC2COC2 879e232ee129ac5168b4962c2b266815 [0,0,0,2,0,0|2,0,0]=4 20520 B11R2.384 C(OC1COC1)C2CSC2 e2e14a35f50f22c7e418354d4b696952 [0,0,0,2,0,0|2,0,0]=4 20521 B11R2.384 C1CC(C1)CCN2CCC2 912e9f3965258ef725bd44d7e14e2c8b [0,0,0,2,0,0|2,0,0]=4 20522 B11R2.384 C1CC(C1)CNC2CCC2 c5bc01e179a1c4314b4e368f6f78925c [0,0,0,2,0,0|1,0,0]=3 20523 B11R2.384 C1CC(C1)CNC2COC2 50f63fa13a11f048c3868296aac376b3 [0,0,0,2,0,0|2,0,0]=4 20524 B11R2.384 C1CC(C1)COC2CCC2 c5fcde8f64c59598f8bc7725563dc9f4 [0,0,0,2,0,0|0,0,0]=2 20525 B11R2.384 C1CC(C1)COC2COC2 e66b487345dce693dd37af4cddb34a84 [0,0,0,2,0,0|1,0,0]=3 20526 B11R2.384 C1CC(C1)COC2CSC2 fc15f815bf08f3cdafa2b7dc853aa155 [0,0,0,2,0,0|1,0,0]=3 20527 B11R2.384 C1CC(C1)NCC2CCO2 f7684d313d21e3806cd13e8f93cd5f94 [0,0,0,2,0,0|2,0,0]=4 20528 B11R2.384 C1CC(C1)NCC2COC2 55e0349cd2c925e58d22778f464e775d [0,0,0,2,0,0|2,0,0]=4 20529 B11R2.384 C1CC(C1)NC[C@@H]2CCO2 0fde1f1a4820c9897c51d35fa31d3ce0 [0,0,0,2,0,0|2,0,0]=4 20530 B11R2.384 C1CC(C1)NC[C@H]2CCO2 1f51120c7bee57b806c5c4c27c3508fb [0,0,0,2,0,0|2,0,0]=4 20531 B11R2.384 C1CC(C1)OCC2CCO2 2185eca824b05cab6811d9e3a6edba8c [0,0,0,2,0,0|1,0,0]=3 20532 B11R2.384 C1CC(C1)OCC2COC2 a5ea8883d91a3ca4fca6c4d252421279 [0,0,0,2,0,0|1,0,0]=3 20533 B11R2.384 C1CC(C1)OCC2CSC2 a9d740818270d3743286fc94f0bd2f2a [0,0,0,2,0,0|1,0,0]=3 20534 B11R2.384 C1CC(C1)OC[C@@H]2CCO2 d33e64faae7a50078de22dedce7f28e8 [0,0,0,2,0,0|1,0,0]=3 20535 B11R2.384 C1CC(C1)OC[C@H]2CCO2 12c7ac8d8b91da19e411fd59627b40c6 [0,0,0,2,0,0|1,0,0]=3 20536 B11R2.384 C1CC(O1)COC2COC2 06fe945f6d003875320eec99d2b00f74 [0,0,0,2,0,0|2,0,0]=4 20537 B11R2.384 C1CC(O1)COC2CSC2 701326ffdd35789549e51431f84361ec [0,0,0,2,0,0|2,0,0]=4 20538 B11R2.384 C1C[C@@H](O1)COC2COC2 67951ba68a218ca7130766c0c68991f8 [0,0,0,2,0,0|2,0,0]=4 20539 B11R2.384 C1C[C@@H](O1)COC2CSC2 6f7d0f01bb2f29f1e98dabbaf1811a31 [0,0,0,2,0,0|2,0,0]=4 20540 B11R2.384 C1C[C@H](O1)COC2COC2 68bdbf5ab33a422e5a9ad074a7c64a68 [0,0,0,2,0,0|2,0,0]=4 20541 B11R2.384 C1C[C@H](O1)COC2CSC2 3e82a0ae36127c5227a342c40b26b305 [0,0,0,2,0,0|2,0,0]=4 20542 B11R2.384 C1OCC1COC2COC2 5f1e8dc7eec93cf8855340529b271083 [0,0,0,2,0,0|2,0,0]=4 20543 B11R2.384 C1OCC1COC2CSC2 08f92f20c570e1d92f73ee2de3267cc6 [0,0,0,2,0,0|2,0,0]=4 20544 B11R2.643 CCOC1CCC12CCC2 3793da2c7cdc2f6484251588b8836ec0 [0,0,0,2,0,0|2,0,0]=4 20545 B11R2.643 CCOC1COC12CCC2 120d0fc72186343af1599847d0179889 [0,0,0,2,0,0|1,0,0]=3 20546 B11R2.643 FCOC1COC12CCC2 2d939c278e539d89e125285cebf797ba [0,0,0,2,0,0|2,0,0]=4 20547 B11R2.892 CCCNC1CC12CCC2 09fe6eedc7f7c1f3623248980814a320 [0,0,0,2,0,0|2,0,0]=4 20548 B11R2.892 CCCOC1CC12CCC2 8a9668d230cf35b14da4b347d76bf454 [0,0,0,2,0,0|2,0,0]=4 20549 B11R2.1014 CO[C@H]1C[C@H]1NC2CCC2 254cdbc24c9727865595bffbd382d4c4 [0,0,0,2,0,0|2,0,0]=4 20550 B11R2.1014 O=CC1CC1OC2CCC2 b3de5fae45b72f4b06b48b337a4e85ad [0,0,0,2,0,0|1,0,1]=4 20551 B11R2.1014 OC[C@@H]1C[C@@H]1NC2CCC2 3fbe9a8946d886e58d189ce90eae6907 [0,0,0,2,0,0|2,0,0]=4 20552 B11R2.1014 OC[C@@H]1C[C@H]1NC2CCC2 6a1446dc76680573beec6aadaf3bb5e9 [0,0,0,2,0,0|2,0,0]=4 20553 B11R2.1014 OC[C@H]1C[C@@H]1NC2CCC2 6842db7fcffe2be83147edf4ba0a143e [0,0,0,2,0,0|2,0,0]=4 20554 B11R2.1039 C(CC1CC1)NC2COC2 aa1a5faa29a442009c574b07f3321079 [0,0,0,2,0,0|2,0,0]=4 20555 B11R2.1039 C(CC1CC1)OC2COC2 75c5c9f9e8a6adbec106ae8e2f31438b [0,0,0,2,0,0|1,0,0]=3 20556 B11R2.1039 C(CC1CC1)OC2CSC2 f2ac3f76d78b5aa74f62c9f57eb9f8a7 [0,0,0,2,0,0|1,0,0]=3 20557 B11R2.1039 C(CN1CC1)OC2COC2 050086c17feda7fe858a80405f6491b9 [0,0,0,2,0,0|2,0,0]=4 20558 B11R2.1039 C1CC(C1)CCNC2CC2 4bc4591a16a8e9c44e0221c75e4050b3 [0,0,0,2,0,0|2,0,0]=4 20559 B11R2.1039 C1CC(C1)CCOC2CC2 f03818f2927268793f0189fb66a9ad6e [0,0,0,2,0,0|2,0,0]=4 20560 B11R2.1039 C1CC(C1)CNCC2CC2 0fa1a8154b92e07e75b71f272e99163a [0,0,0,2,0,0|1,0,0]=3 20561 B11R2.1039 C1CC(C1)COCC2CC2 2747b4d1d8b19cdce2a4d0a36412c652 [0,0,0,2,0,0|0,0,0]=2 20562 B11R2.1039 C1CC(C1)NCCC2CC2 9708fde4c15f74e52244c0b7f9fb4366 [0,0,0,2,0,0|1,0,0]=3 20563 B11R2.1039 C1CC(C1)NCCN2CC2 6aef7eb94cc8162b4b471f9b21ab5dc6 [0,0,0,2,0,0|2,0,0]=4 20564 B11R2.1039 C1CC(C1)OCCC2CC2 18c341b92c590ef2b788d26f1049d8f0 [0,0,0,2,0,0|0,0,0]=2 20565 B11R2.1039 C1CC(C1)OCCN2CC2 2fd69931fea95dcae73da17f1d058863 [0,0,0,2,0,0|1,0,0]=3 20566 B11R2.1039 C1CC(O1)CNCC2CC2 6c60ebd07069f2cd4aaa9082c55ccbf6 [0,0,0,2,0,0|2,0,0]=4 20567 B11R2.1039 C1CC(O1)COCC2CC2 016d2e87db977f1a0e6396815bff83b1 [0,0,0,2,0,0|1,0,0]=3 20568 B11R2.1039 C1CC1CNCC2COC2 9eb23071e3c63cc41a806777bec41d9f [0,0,0,2,0,0|2,0,0]=4 20569 B11R2.1039 C1CC1COCC2COC2 1273abc8320986fc26b344bd460ead49 [0,0,0,2,0,0|1,0,0]=3 20570 B11R2.1039 C1CC1COCC2CSC2 adcc8bb99993b19ff8caf6ba99978239 [0,0,0,2,0,0|1,0,0]=3 20571 B11R2.1039 C1C[C@@H](O1)CNCC2CC2 e365df9601da426d0c951c009fbb2249 [0,0,0,2,0,0|2,0,0]=4 20572 B11R2.1039 C1C[C@@H](O1)COCC2CC2 6f01d236d95c599156c6fbfff35161d7 [0,0,0,2,0,0|1,0,0]=3 20573 B11R2.1039 C1C[C@H](O1)CNCC2CC2 3617a38812ba22530aa2e3564e998fc3 [0,0,0,2,0,0|2,0,0]=4 20574 B11R2.1039 C1C[C@H](O1)COCC2CC2 1cae13568ab0d8aee7b1f26248d8303c [0,0,0,2,0,0|1,0,0]=3 20575 B11R2.148 CCOC[C@H]1C[C@@H]1C2CC2 8e7c143220b5e78369e688941b4eb526 [0,0,0,2,0,0|2,0,0]=4 20576 B11R2.1036 C1CCCN(CC1)C2CC2 e8927e16ffb3fc38517c39b0176e72b0 [0,0,0,2,0,0|2,0,0]=4 20577 B11R2.181 CO[C@H]1C[C@H]1NCC2CC2 21e4821927b2eec97964a8128ed7f73f [0,0,0,2,0,0|2,0,0]=4 20578 B11R2.181 O=CC1CC1OCC2CC2 bc13c637c273f2e2b34ced502b269644 [0,0,0,2,0,0|1,0,1]=4 20579 B11R2.181 OC[C@@H]1C[C@@H]1NCC2CC2 786dc94c6f82b9f37dd45fa8ad9c2c66 [0,0,0,2,0,0|2,0,0]=4 20580 B11R2.181 OC[C@@H]1C[C@H]1NCC2CC2 f40dedcb1b2ef9b62f7d8487b353f85c [0,0,0,2,0,0|2,0,0]=4 20581 B11R2.181 OC[C@H]1C[C@@H]1NCC2CC2 7b5802201a735c544810c7dc95292ff8 [0,0,0,2,0,0|2,0,0]=4 20582 B11R2.866 CCCNCC1CC12CC2 4ac9334d5081ceae1e7d92df7fa1662d [0,0,0,2,0,0|2,0,0]=4 20583 B11R2.866 CCCOCC1CC12CC2 f574a162b875f7f635a55a76ac9e774d [0,0,0,2,0,0|2,0,0]=4 20584 B11R2.866 CCOCCC1CC12CC2 5950268a0111edcefe4e31528a26eb9c [0,0,0,2,0,0|2,0,0]=4 20585 B11R2.245 CCOC1CCC1C2CC2 df8e1fdc847a3b01ef9b73239c8f8cdc [0,0,0,2,0,0|2,0,0]=4 20586 B11R2.1034 C(CC1CC1)NCC2CC2 5631bd1779bd234784ea5d2be2535dbf [0,0,0,2,0,0|1,0,0]=3 20587 B11R2.1034 C(CC1CC1)OCC2CC2 31b02937d269e70a302d98eba605dc74 [0,0,0,2,0,0|0,0,0]=2 20588 B11R2.1034 C(CN1CC1)NCC2CC2 5b1d2ce62c10ea8e293d733ac4e48ae5 [0,0,0,2,0,0|2,0,0]=4 20589 B11R2.1034 C(CN1CC1)OCC2CC2 13812e52b43a3f2cf89ba714f6985031 [0,0,0,2,0,0|1,0,0]=3 20590 B11R2.1034 C(COC1CC1)CC2CC2 1b03528f050b3ed99a46474921c8672e [0,0,0,2,0,0|2,0,0]=4 20591 B6R0.6 CCCCNCC 92b5580e2e0a5bde623d85d4114fa5b8 [3,0,0,0,0,0|1,0,0]=4 20592 B6R0.6 CCCCOCC 95dd02bf16a1c429e6d73e015abd355f [3,0,0,0,0,0|0,0,0]=3 20593 B6R0.6 CCCCOCF 0477e5eebf9ea464372af9c3f610bbb3 [3,0,0,0,0,0|1,0,0]=4 20594 B6R0.6 CCCNCCC 1b094650055fd0b18522f92a665c0499 [3,0,0,0,0,0|1,0,0]=4 20595 B6R0.6 CCCNCOC e97c2d5a22ce001afa1236daa1cad7bc [3,0,0,0,0,0|1,0,0]=4 20596 B6R0.6 CCCOCCC 0a4e87c7914309a78635e74e08d2777c [3,0,0,0,0,0|0,0,0]=3 20597 B6R0.6 CCCOCCF 89739e8ca8e097a040faf9b1b5d8fe97 [3,0,0,0,0,0|1,0,0]=4 20598 B6R0.6 CCCOCCS 0132493e794a98d77c26358a94dc4e29 [3,0,0,0,0,0|1,0,0]=4 20599 B6R0.6 CCCOCOC c11e71c41afe194d616e687f4176c864 [3,0,0,0,0,0|1,0,0]=4 20600 B6R0.6 CCCOCSC 1c1d3e4eeaee5d66440c30d368585d8f [3,0,0,0,0,0|1,0,0]=4 20601 B6R0.6 CCNCCOC f1fb223c89b0752d151e88a41e5b29d9 [3,0,0,0,0,0|1,0,0]=4 20602 B6R0.6 CCOCCCF c39806e94fc6c284e7443799411e61ef [3,0,0,0,0,0|1,0,0]=4 20603 B6R0.6 CCOCCCS 1518d71ef49a78a374e5431ada0f3cb8 [3,0,0,0,0,0|1,0,0]=4 20604 B6R0.6 CCOCCOC dd0438a106c25c5532b546a1007f90ac [3,0,0,0,0,0|1,0,0]=4 20605 B6R0.6 CCOCCSC 5ebca3b7e051ee8b31eb2b56fedcebce [3,0,0,0,0,0|1,0,0]=4 20606 B8R0.1 CCCC(C)COCC 93903632c96b35063d92ad4a88f1870f [2,1,0,0,0,0|0,0,0]=3 20607 B8R0.1 CCCC(C)COCF 93c3ddfe52dd775edf5ae50e46d5413c [2,1,0,0,0,0|1,0,0]=4 20608 B8R0.1 CCCC(C)OCCF 51dd4182d40ab8df7fc597096aea8427 [2,1,0,0,0,0|1,0,0]=4 20609 B8R0.1 CCCC(C)OCCS 69475e4324fe3c939d55cdf50e8476b5 [2,1,0,0,0,0|1,0,0]=4 20610 B8R0.1 CCCC(C)OCOC 7c2918bfa8ffaddb181d24a90d0ac5c3 [2,1,0,0,0,0|1,0,0]=4 20611 B8R0.1 CCCC(C)OCSC 75e51c2393446b0133ca8c8523cf3bf1 [2,1,0,0,0,0|1,0,0]=4 20612 B8R0.1 CCCC(O)CNCC 832780b22c4621b899b7afcc4f4f0de1 [2,1,0,0,0,0|1,0,0]=4 20613 B8R0.1 CCCCC(C)NCC 4583005e506d2176e59cdaa84e6525c6 [2,1,0,0,0,0|1,0,0]=4 20614 B8R0.1 CCCCC(C)OCC e43df0ae121ab44cb6194c6546aa1e41 [2,1,0,0,0,0|0,0,0]=3 20615 B8R0.1 CCCCC(C)OCF 8f64235a04b7426a52761157f7a2f136 [2,1,0,0,0,0|1,0,0]=4 20616 B8R0.1 CCCCN(C)CCC 598958f1bf27154d8760346aca3fc1c7 [2,1,0,0,0,0|1,0,0]=4 20617 B8R0.1 CCCC[C@@H](C)NCC c18bfbe49afa779f9ec8f1e0c1e03df7 [2,1,0,0,0,0|1,0,0]=4 20618 B8R0.1 CCCC[C@@H](C)OCC d38acbfc54d47c4bbd565f1b434e5e73 [2,1,0,0,0,0|0,0,0]=3 20619 B8R0.1 CCCC[C@@H](C)OCF ff66df83640c2dbad9e8ec8dcc4cafcc [2,1,0,0,0,0|1,0,0]=4 20620 B8R0.1 CCCC[C@H](C)OCC f8165a8926a10ebcbdb8675cf31f0cb1 [2,1,0,0,0,0|0,0,0]=3 20621 B8R0.1 CCCC[C@H](C)OCF e55dba0a966d7f5aa8a47328924d9297 [2,1,0,0,0,0|1,0,0]=4 20622 B8R0.1 CCCN(C)COCC cf6f2674ada2fc38b6be0d5d76fba32b [2,1,0,0,0,0|1,0,0]=4 20623 B8R0.1 CCCNC(C)CCC d58b8fb4472d4722966db633dc2848a1 [2,1,0,0,0,0|1,0,0]=4 20624 B8R0.1 CCCN[C@@H](C)CCC 559d6e0322e30323f5594c28d9f6d2f9 [2,1,0,0,0,0|1,0,0]=4 20625 B8R0.1 CCCOC(=S)CCC 553859e26557f67ca84075cb05814f3e [2,1,0,0,0,0|0,0,1]=4 20626 B8R0.1 CCCOC(C)CCC 5072af5c5b154601df0153ecc4f9a62c [2,1,0,0,0,0|0,0,0]=3 20627 B8R0.1 CCCOC(C)COC 7da8295e4d831ee4f9d2cde28bad1a12 [2,1,0,0,0,0|1,0,0]=4 20628 B8R0.1 CCCOC(C)CSC 9f9571e90cf786089b434f3ce024d599 [2,1,0,0,0,0|1,0,0]=4 20629 B8R0.1 CCCO[C@@H](C)CCC 3768650ef68ec2d5f66e51478eb2c0cf [2,1,0,0,0,0|0,0,0]=3 20630 B8R0.1 CCCO[C@@H](C)COC 626e622663639373f117286290b64b6d [2,1,0,0,0,0|1,0,0]=4 20631 B8R0.1 CCCO[C@H](C)CCC d9937f3512bcf6b6a2b04993e218c5dc [2,1,0,0,0,0|0,0,0]=3 20632 B8R0.1 CCCO[C@H](C)COC 97f2c6bbb0fdd054219bab069984cf44 [2,1,0,0,0,0|1,0,0]=4 20633 B8R0.1 CCC[C@@H](C)OCCF 551477ebd941c69308556a318357406d [2,1,0,0,0,0|1,0,0]=4 20634 B8R0.1 CCC[C@@H](C)OCCS 32dc180121f7e6b2463f9b82f724d60f [2,1,0,0,0,0|1,0,0]=4 20635 B8R0.1 CCC[C@@H](C)OCOC 424856e8f73d9733e5e6cd61105c8f9c [2,1,0,0,0,0|1,0,0]=4 20636 B8R0.1 CCC[C@@H](C)OCSC c99c99286eba63cefa83ea33456022c2 [2,1,0,0,0,0|1,0,0]=4 20637 B8R0.1 CCC[C@H](C)OCCF e12d025f332e1847a0a0c8377933b294 [2,1,0,0,0,0|1,0,0]=4 20638 B8R0.1 CCC[C@H](C)OCCS 9c981c47f7c3ead27a21a510681a21c3 [2,1,0,0,0,0|1,0,0]=4 20639 B8R0.1 CCC[C@H](C)OCOC f3c5c84cdb332795f207cd42cee3605b [2,1,0,0,0,0|1,0,0]=4 20640 B8R0.1 CCC[C@H](C)OCSC 32a5d497847cfe259fd9a3968696750a [2,1,0,0,0,0|1,0,0]=4 20641 B8R0.1 CCNCC(C)OCC eada9db090733897974960683afe5496 [2,1,0,0,0,0|1,0,0]=4 20642 B8R0.1 CCOC(C)CCOC 196511f67d8eda011d6f33c8b16809a7 [2,1,0,0,0,0|1,0,0]=4 20643 B8R0.1 CCOC(C)CCSC 324d3536b5929c293af9b175b80533e8 [2,1,0,0,0,0|1,0,0]=4 20644 B8R0.1 CCOCC(C)OCC 20a9fb9f86ef4d51ef11c7f7a467151a [2,1,0,0,0,0|1,0,0]=4 20645 B8R0.6 C=C(CC)COCCC 9a03753bc1b5bbc7ba706f1688ccd4c0 [2,1,0,0,0,0|0,0,1]=4 20646 B8R0.6 CCC(C)CCOCF ad49fb93dbc6e5096875ca8b33e35d2e [2,1,0,0,0,0|1,0,0]=4 20647 B8R0.6 CCC(C)COCCF 234df3c7bd373782f0b57a992ab93926 [2,1,0,0,0,0|1,0,0]=4 20648 B8R0.6 CCC(C)COCCS 16a35ab92232b38df6f41f25daef241c [2,1,0,0,0,0|1,0,0]=4 20649 B8R0.6 CCC(C)COCOC 6dd199421c9efff2fe4c863bf565046e [2,1,0,0,0,0|1,0,0]=4 20650 B8R0.6 CCC(C)COCSC c71a7ed276355c4fd851325151b38886 [2,1,0,0,0,0|1,0,0]=4 20651 B8R0.6 CCC(C)OCCCF 7608266ccc7b050cb1109bc78c6b6506 [2,1,0,0,0,0|1,0,0]=4 20652 B8R0.6 CCC(C)OCCCS 59569899c7c7ea5a22586613c30dc74b [2,1,0,0,0,0|1,0,0]=4 20653 B8R0.6 CCC(C)OCCOC 0f412b4c400bcc343476480e66445e27 [2,1,0,0,0,0|1,0,0]=4 20654 B8R0.6 CCC(C)OCCSC f2031df256af2f97a18e4ed202bceae8 [2,1,0,0,0,0|1,0,0]=4 20655 B8R0.6 CCC(S)CCOCF fd9f97763905898c36d44cc90e7d0d91 [2,1,0,0,0,0|1,0,0]=4 20656 B8R0.6 CCCCCN(C)CC 9518c2300d9243488291f90365ee6acc [2,1,0,0,0,0|1,0,0]=4 20657 B8R0.6 CCCCNC(C)CC 2d727d0865e21d5f41a267ce6ca08059 [2,1,0,0,0,0|1,0,0]=4 20658 B8R0.6 CCCCN[C@@H](C)CC a2ad9889b2a85548549a6f2a7991a4fa [2,1,0,0,0,0|1,0,0]=4 20659 B8R0.6 CCCCN[C@H](C)CC 3ba343d5b09052d6e4ca4f315fa7a56a [2,1,0,0,0,0|1,0,0]=4 20660 B8R0.6 CCCCOC(C)CC 7b743840237d8f1167e2a19145e2bb11 [2,1,0,0,0,0|0,0,0]=3 20661 B8R0.6 CCCCOC(C)CF a8ece2c1a6b1bbd17ac97ecec5d3d5f9 [2,1,0,0,0,0|1,0,0]=4 20662 B8R0.6 CCCCOC(C)CS ae59cde7367219dda072a597238ebf81 [2,1,0,0,0,0|1,0,0]=4 20663 B8R0.6 CCCCO[C@@H](C)CC 0568b6feb97809cefc1cbb08ceebedee [2,1,0,0,0,0|0,0,0]=3 20664 B8R0.6 CCCCO[C@H](C)CC 62d88e9696eb4ecbfe2b32e610c029fe [2,1,0,0,0,0|0,0,0]=3 20665 B8R0.6 CCCCO[C@H](C)CS 4909bf9ebce22969b4138fac2a65fc31 [2,1,0,0,0,0|1,0,0]=4 20666 B8R0.6 CCCNCC(C)CC dfac60b2da2755308d3835afbc0d45f5 [2,1,0,0,0,0|1,0,0]=4 20667 B8R0.6 CCCNCC(O)CC 418992374fd97112480430826829281d [2,1,0,0,0,0|1,0,0]=4 20668 B8R0.6 CCCNC[C@@H](C)CC 73078e899264ad747d5de555aa4e0e85 [2,1,0,0,0,0|1,0,0]=4 20669 B8R0.6 CCCNC[C@H](C)CC eb45f8e833f0797e2ccdb45de94e8f7b [2,1,0,0,0,0|1,0,0]=4 20670 B8R0.6 CCCNC[C@H](O)CC 9211d5b7ca8f98bcbe3545d0e681e4b6 [2,1,0,0,0,0|1,0,0]=4 20671 B8R0.6 CCCOCC(=O)CC 3f397a74b90866b03f1163a524097d68 [2,1,0,0,0,0|0,0,1]=4 20672 B8R0.6 CCCOCC(Br)CBr 9f1724a351782abba439136f5d6e69ae [2,1,0,0,0,0|1,0,0]=4 20673 B8R0.6 CCCOCC(C)CC 8336a8fc5b3ea2d1a4239fcc430df35e [2,1,0,0,0,0|0,0,0]=3 20674 B8R0.6 CCCOCC(C)OC 86e432709025d8d66d578a47ae11b938 [2,1,0,0,0,0|1,0,0]=4 20675 B8R0.6 CCCOCC(Cl)CCl c7ce8d11365429ed620b78ba0ffd1b9b [2,1,0,0,0,0|1,0,0]=4 20676 B8R0.6 CCCOCC(O)CO e3d68b35eac8a2da37baf7fe7e391754 [2,1,0,0,0,0|1,0,0]=4 20677 B8R0.6 CCCOCC(S)CS 813ac28dc006bde4dc5199312c0bbd6f [2,1,0,0,0,0|1,0,0]=4 20678 B8R0.6 CCCOC[C@@H](C)CC c84fe828e09e77472347432e2d809559 [2,1,0,0,0,0|0,0,0]=3 20679 B8R0.6 CCCOC[C@@H](C)OC 1926133421e267d531d7481f3e43e385 [2,1,0,0,0,0|1,0,0]=4 20680 B8R0.6 CCCOC[C@@H](O)CO 292517bf917aa7914b143c3ebbc55ed5 [2,1,0,0,0,0|1,0,0]=4 20681 B8R0.6 CCCOC[C@H](C)CC a570cde5a141abc9ae194e132ed8fa20 [2,1,0,0,0,0|0,0,0]=3 20682 B8R0.6 CCCOC[C@H](C)OC 932ff7b543b44a4374b83d4adcb8d986 [2,1,0,0,0,0|1,0,0]=4 20683 B8R0.6 CCCOC[C@H](O)CO ae68310a2d1586d5cf02e87027d392be [2,1,0,0,0,0|1,0,0]=4 20684 B8R0.6 CCNCCC(C)CC 7d7a35762e8ac86a31a49df307629678 [2,1,0,0,0,0|1,0,0]=4 20685 B8R0.6 CCOCCC(C)CC 0554257e939379702c3853cde29331cf [2,1,0,0,0,0|0,0,0]=3 20686 B8R0.6 CCOCCC(C)OC aca392573287df7e0b1f4fb0d4e1cdef [2,1,0,0,0,0|1,0,0]=4 20687 B8R0.6 CCOCCC(S)CC b96bbf1eb0d6bf468c99e0b8751c21b4 [2,1,0,0,0,0|0,0,0]=3 20688 B8R0.6 CCOCCN(C)CC 5ffc8bba3835a9b9f54e3085f5b172e3 [2,1,0,0,0,0|1,0,0]=4 20689 B8R0.6 CCOCC[C@@H](C)CC 6ed2f49f8ab9032ae166b1c906dbc07b [2,1,0,0,0,0|0,0,0]=3 20690 B8R0.6 CCOCNC(C)CC a50cfb6bab39a8e8ca1df13c044b9618 [2,1,0,0,0,0|1,0,0]=4 20691 B8R0.6 CCOCN[C@@H](C)CC eafd6067d8849e68d1c8e6372c09bb92 [2,1,0,0,0,0|1,0,0]=4 20692 B8R0.6 CCOCN[C@H](C)CC 7124a0d463babe6fa7c8959fa3126e15 [2,1,0,0,0,0|1,0,0]=4 20693 B8R0.6 CC[C@@H](C)COCCF e20d781119f6b53ffb68ed6751ccaab2 [2,1,0,0,0,0|1,0,0]=4 20694 B8R0.6 CC[C@@H](C)COCCS 234dff13be40377c551514da0380e41f [2,1,0,0,0,0|1,0,0]=4 20695 B8R0.6 CC[C@@H](C)COCOC a052b0577e11ad1f5f6decbf2a414fe8 [2,1,0,0,0,0|1,0,0]=4 20696 B8R0.6 CC[C@@H](C)COCSC 8b471433ffcca29c79070d25016db951 [2,1,0,0,0,0|1,0,0]=4 20697 B8R0.6 CC[C@@H](C)OCCCF 7b91ef4d02ffce6366f05b07d4bc01d9 [2,1,0,0,0,0|1,0,0]=4 20698 B8R0.6 CC[C@@H](C)OCCCS 6c6c2f22fccb8037a5b6c2c37163f959 [2,1,0,0,0,0|1,0,0]=4 20699 B8R0.6 CC[C@@H](C)OCCOC db30ac2bff0c750a2289ad4cf8a04d34 [2,1,0,0,0,0|1,0,0]=4 20700 B8R0.6 CC[C@@H](C)OCCSC ce99c06b76dfa3d0696884b1a7785ccb [2,1,0,0,0,0|1,0,0]=4 20701 B8R0.6 CC[C@H](C)CCOCF 4b30d5d94bbbb4fdbcf22cabd2f557ea [2,1,0,0,0,0|1,0,0]=4 20702 B8R0.6 CC[C@H](C)COCCF a3b7b17681d654662c51b9200aeead3e [2,1,0,0,0,0|1,0,0]=4 20703 B8R0.6 CC[C@H](C)COCCS 6e8b2990a3d1b06c800b4386782cc666 [2,1,0,0,0,0|1,0,0]=4 20704 B8R0.6 CC[C@H](C)COCOC c9deb84f6c5c3c42953d4555c52f366b [2,1,0,0,0,0|1,0,0]=4 20705 B8R0.6 CC[C@H](C)COCSC 8b7f4fdb54794462883a4b1b9a971b1c [2,1,0,0,0,0|1,0,0]=4 20706 B8R0.6 CC[C@H](C)OCCCF b238d2d8b5858677f211108a6f007a3e [2,1,0,0,0,0|1,0,0]=4 20707 B8R0.6 CC[C@H](C)OCCCS a5391396126af079b7e941809a4b6adf [2,1,0,0,0,0|1,0,0]=4 20708 B8R0.6 CC[C@H](C)OCCOC fe75e9412a4cbec1e3be8b753803fef8 [2,1,0,0,0,0|1,0,0]=4 20709 B8R0.6 CC[C@H](C)OCCSC 859d8c0e08c17053da54ea6974440015 [2,1,0,0,0,0|1,0,0]=4 20710 B8R0.7 C=C(C)CCCOCC 36ef5adff872f4dda81f11eae3241c37 [2,1,0,0,0,0|0,0,1]=4 20711 B8R0.7 C=C(C)CCOCCC 845281f0f16ba18f3aad20093af18d36 [2,1,0,0,0,0|0,0,1]=4 20712 B8R0.7 C=C(C)COCCCC 260d3670dc084e87502d9a9ffe570e3c [2,1,0,0,0,0|0,0,1]=4 20713 B8R0.7 CC(C)CCCOCF 074ff3c76c900e9b0ff85e608ffe9d01 [2,1,0,0,0,0|1,0,0]=4 20714 B8R0.7 CC(C)CCOCCF 8c34c8e85518cf7592e3f685afefb143 [2,1,0,0,0,0|1,0,0]=4 20715 B8R0.7 CC(C)CCOCCS 32244445bbb2f48b4effe9772a2a7a0f [2,1,0,0,0,0|1,0,0]=4 20716 B8R0.7 CC(C)COCCCF 47b3e7003392b7e4d6af83ce49e8ae15 [2,1,0,0,0,0|1,0,0]=4 20717 B8R0.7 CC(C)COCCCS 4a6bc2e192e2a8c81d6a0173f59ed2af [2,1,0,0,0,0|1,0,0]=4 20718 B8R0.7 CC(C)OCCCCF f9388f7924de81152ad266bc0e0fb91b [2,1,0,0,0,0|1,0,0]=4 20719 B8R0.7 CC(C)OCCCCS 7024b4637fc758d50ee27d269b165a7f [2,1,0,0,0,0|1,0,0]=4 20720 B8R0.7 CC(F)COCCCF 38263380a67c44c16346ab110c4b14ed [2,1,0,0,0,0|1,0,0]=4 20721 B8R0.7 CC(F)COCCCS fe888356fa7666952d363a84eef052cb [2,1,0,0,0,0|1,0,0]=4 20722 B8R0.7 CC(S)COCCCF 1229d17f0ba7624aa77ee6d4b579a426 [2,1,0,0,0,0|1,0,0]=4 20723 B8R0.7 CC(S)COCCCS 94410c03f092028f1e752124b10b39f6 [2,1,0,0,0,0|1,0,0]=4 20724 B8R0.7 CCCCCNC(C)C fecd5fbc16956a143ac8609a2bd9e0c3 [2,1,0,0,0,0|1,0,0]=4 20725 B8R0.7 CCCCCOC(C)C d4e915467a92d9554e0d3ccd108d1b4d [2,1,0,0,0,0|0,0,0]=3 20726 B8R0.7 CCCCNCC(C)C 14e08612915cf77b2fa2c2f94f61132b [2,1,0,0,0,0|1,0,0]=4 20727 B8R0.7 CCCCNCC(C)O 931ffaa97d207c9fb7ebac0ec881f8e7 [2,1,0,0,0,0|1,0,0]=4 20728 B8R0.7 CCCCNC[C@@H](C)O 4edb0f48a9a733f4509d2f3b0321ae53 [2,1,0,0,0,0|1,0,0]=4 20729 B8R0.7 CCCCNC[C@H](C)O 57de7703f075876997013fb957b70c80 [2,1,0,0,0,0|1,0,0]=4 20730 B8R0.7 CCCCOCC(=O)C badc4ff846862f74785a1abd49004213 [2,1,0,0,0,0|0,0,1]=4 20731 B8R0.7 CCCCOCC(C)C 68b7612d0f936ebbf9a831b7d6c778be [2,1,0,0,0,0|0,0,0]=3 20732 B8R0.7 CCCCOCC(C)F b61cc2ea745ef93460e21e251f057d4d [2,1,0,0,0,0|0,0,0]=3 20733 B8R0.7 CCCCOCC(C)S 0d43463b5fb693fda0dbccdcbbdd2ce0 [2,1,0,0,0,0|0,0,0]=3 20734 B8R0.7 CCCCOCC(F)F aaeb3cfc8ecfd31ba743b6647a74b0e1 [2,1,0,0,0,0|1,0,0]=4 20735 B8R0.7 CCCCOCN(C)C 3598f39145ccde2eee87aa91337fcbb4 [2,1,0,0,0,0|1,0,0]=4 20736 B8R0.7 CCCCOC[C@@H](C)F 395daf95e36b203ab6e7a7c03c8e4490 [2,1,0,0,0,0|0,0,0]=3 20737 B8R0.7 CCCCOC[C@H](C)F 26014bea3230facd252589a2fc4ef47c [2,1,0,0,0,0|0,0,0]=3 20738 B8R0.7 CCCNCCC(C)C 76a9f83b0ca62c4bc3c8277b05f628fa [2,1,0,0,0,0|1,0,0]=4 20739 B8R0.7 CCCNCCC(C)O ccdd4aef6b342b7b92e15346bf177ff3 [2,1,0,0,0,0|1,0,0]=4 20740 B8R0.7 CCCNCC[C@@H](C)O 96ed78371080616609e6a19f4bc6ef50 [2,1,0,0,0,0|1,0,0]=4 20741 B8R0.7 CCCNCC[C@H](C)O e223e4268330f6aea945d3b98613cfef [2,1,0,0,0,0|1,0,0]=4 20742 B8R0.7 CCCNCOC(C)C f9d15999e9514468c33a2297857aa4db [2,1,0,0,0,0|1,0,0]=4 20743 B8R0.7 CCCOCCC(=O)C 8597bbc8bbaf08f1a613a7aab0165313 [2,1,0,0,0,0|0,0,1]=4 20744 B8R0.7 CCCOCCC(C)C 2eab4c15e86c20ee350695e4727673e2 [2,1,0,0,0,0|0,0,0]=3 20745 B8R0.7 CCCOCCC(F)F c238cb362dacb265d2fe0fdc1ac7cda2 [2,1,0,0,0,0|1,0,0]=4 20746 B8R0.7 CCCOCCN(C)C 79c8f5d530bd776f1befe5ca1224c45c [2,1,0,0,0,0|1,0,0]=4 20747 B8R0.7 CCCOCCS(=O)C 2c35684313aa0effe020f10a0837e485 [2,1,0,0,0,0|1,0,0]=4 20748 B8R0.7 CCCOCOC(C)C fd6891fd9649f5bf81816c72f5c16735 [2,1,0,0,0,0|1,0,0]=4 20749 B8R0.7 CCNCCCC(C)C 6e52cb7d352b50eb30e238c582f22475 [2,1,0,0,0,0|1,0,0]=4 20750 B8R0.7 CCNCCOC(C)C be50a6a34b1a0d33a68476fc3cc4fc23 [2,1,0,0,0,0|1,0,0]=4 20751 B8R0.7 CCOCCCC(=O)C d3d73835b0002e0a803c11778e6c42f8 [2,1,0,0,0,0|0,0,1]=4 20752 B8R0.7 CCOCCCC(C)C e68811d021b73c585b1339be7097acd9 [2,1,0,0,0,0|0,0,0]=3 20753 B8R0.7 CCOCCCN(C)C aea7d760e9c8771a1ef45b93a8f9f7c3 [2,1,0,0,0,0|1,0,0]=4 20754 B8R0.7 CCOCCNC(C)C a606caad7a6eb7bd8d1bf18f6369f575 [2,1,0,0,0,0|1,0,0]=4 20755 B8R0.7 CCOCCOC(C)C 5638f825d72fcf2c0e9a4e590d9025e5 [2,1,0,0,0,0|1,0,0]=4 20756 B8R0.7 CCOCCSC(C)C fc1d80ca91bdae801b2ab4f91b2f88f6 [2,1,0,0,0,0|1,0,0]=4 20757 B8R0.7 CCOCNCC(C)C 7a67391819739ef08ed61cadd8c0e82e [2,1,0,0,0,0|1,0,0]=4 20758 B8R0.7 CCOCNCC(C)O 24ccfaa7e75872cf26d496230fd15b21 [2,1,0,0,0,0|1,0,0]=4 20759 B8R0.7 CCOCNC[C@@H](C)O 75d9d187f353289c2c2a7694580ab35a [2,1,0,0,0,0|1,0,0]=4 20760 B8R0.7 CCOCNC[C@H](C)O 09d1233b9ac8e82ae19ef34daace6a79 [2,1,0,0,0,0|1,0,0]=4 20761 B8R0.7 CCOCOCC(C)C a62032555c2fcc8079d2a4ea098abbb2 [2,1,0,0,0,0|1,0,0]=4 20762 B8R0.7 CCOCOCC(C)F c73dd79a306bce2783fd05bd33e397eb [2,1,0,0,0,0|1,0,0]=4 20763 B8R0.7 CCOCOCC(C)S 6ee669514f4c9e2f06c593da2130e07c [2,1,0,0,0,0|1,0,0]=4 20764 B8R0.7 CCOCOC[C@@H](C)F 62b5805653e2df433a0fe0a15f5fbf76 [2,1,0,0,0,0|1,0,0]=4 20765 B8R0.7 CCOCOC[C@H](C)F 677fe224f9fcff3deb910c4464e1887d [2,1,0,0,0,0|1,0,0]=4 20766 B8R0.7 CCSCCOC(C)C d8b7a1fba7566c3744049605e758719d [2,1,0,0,0,0|1,0,0]=4 20767 B8R0.7 COCCCOC(C)C 5684bb8a7ac01785c80283a1f20a9ef4 [2,1,0,0,0,0|1,0,0]=4 20768 B8R0.7 COCCOCC(C)C d0e5035e5ad75d7667af2fe282c6f0ba [2,1,0,0,0,0|1,0,0]=4 20769 B8R0.7 COCCOCC(C)F 1ea288114b620c4cc60edddefbfb1519 [2,1,0,0,0,0|1,0,0]=4 20770 B8R0.7 COCCOCC(C)S 47bc24d67a548bf8c3c221f967c74e10 [2,1,0,0,0,0|1,0,0]=4 20771 B8R0.7 COCCOC[C@@H](C)F 618ae4185ff142f7f47a17f052759c0d [2,1,0,0,0,0|1,0,0]=4 20772 B8R0.7 COCCOC[C@H](C)F a7127a4f8e91a396cf79f96f9636bc86 [2,1,0,0,0,0|1,0,0]=4 20773 B8R0.7 COCOCCC(C)C bcaaca22e174aa65ea31c88fa163f2b9 [2,1,0,0,0,0|1,0,0]=4 20774 B8R0.7 CSCCCOC(C)C f53d2336fb0f520dbcdbe91d0f6f8fb0 [2,1,0,0,0,0|1,0,0]=4 20775 B8R0.7 CSCCOCC(C)C 0d7a1f3f7a05c508cd670d9e86716796 [2,1,0,0,0,0|1,0,0]=4 20776 B8R0.7 CSCCOCC(C)F 80f140badf9f25b22d70fb346f4d0883 [2,1,0,0,0,0|1,0,0]=4 20777 B8R0.7 CSCCOCC(C)S 2f86d3f6e09192270304f09a6b263742 [2,1,0,0,0,0|1,0,0]=4 20778 B8R0.7 CSCCOC[C@@H](C)F 5ba4bde9293c7841a265783d6b74aa63 [2,1,0,0,0,0|1,0,0]=4 20779 B8R0.7 CSCCOC[C@H](C)F ee0c773744b281d9a929624016cd27ef [2,1,0,0,0,0|1,0,0]=4 20780 B8R0.7 CSCOCCC(C)C de4759993ae77e6152e45a8e6c1a8f14 [2,1,0,0,0,0|1,0,0]=4 20781 B8R0.7 C[C@@H](F)COCCCF 8805caf11ad5173a48da127f306cfd46 [2,1,0,0,0,0|1,0,0]=4 20782 B8R0.7 C[C@@H](F)COCCCS 52a73dcf003de152a94ea23565833dab [2,1,0,0,0,0|1,0,0]=4 20783 B8R0.7 C[C@H](F)COCCCF 1d700dd3528aa4704e235d13af34ba12 [2,1,0,0,0,0|1,0,0]=4 20784 B8R0.7 C[C@H](F)COCCCS 5c5cb3ef07f9bf5feab54c6a3593d0af [2,1,0,0,0,0|1,0,0]=4 20785 B10R0.3 C=C(C)CCOC(C)CCC 8fa09bb2c00eedb1ed94fbff88cca7ce [1,2,0,0,0,0|0,0,1]=4 20786 B10R0.3 C=C(C)CCO[C@@H](C)CCC 5464f8ae6acb897674a408c08d8b3d4c [1,2,0,0,0,0|0,0,1]=4 20787 B10R0.3 C=C(C)CCO[C@H](C)CCC afbed9022878a64f6e438d688f3a48fb [1,2,0,0,0,0|0,0,1]=4 20788 B10R0.3 C=C(C)COCC(C)CCC 9a3ff59309dd1a63d2fa3f6f3ad85e16 [1,2,0,0,0,0|0,0,1]=4 20789 B10R0.3 CC(C)COC[C@@H](O)CCO 47559774e29a5de42ac137929c0b5a7f [1,2,0,0,0,0|1,0,0]=4 20790 B10R0.3 CC(F)COC[C@@H](O)CCO ec4c88f56244fc56ef0b5b112d109f7d [1,2,0,0,0,0|1,0,0]=4 20791 B10R0.3 CC(S)COC[C@@H](O)CCO f1988ad4cc63f189fb15438d576e27a5 [1,2,0,0,0,0|1,0,0]=4 20792 B10R0.3 CCCC(=O)COCC(C)C 2326b3f3fe2ad2caa1b98fc82b274e2b [1,2,0,0,0,0|0,0,1]=4 20793 B10R0.3 CCCC(=O)COCC(C)F c7a44fc7e123c35b89a8f946d579750e [1,2,0,0,0,0|0,0,1]=4 20794 B10R0.3 CCCC(=O)COCC(C)S 01de9397df788eae604c7442ce4404f0 [1,2,0,0,0,0|0,0,1]=4 20795 B10R0.3 CCCC(=O)COC[C@@H](C)F 0224b09aea7b2e5f9cbe6dec30326650 [1,2,0,0,0,0|0,0,1]=4 20796 B10R0.3 CCCC(=O)COC[C@H](C)F fea9b07c67754b0d917921c012826a06 [1,2,0,0,0,0|0,0,1]=4 20797 B10R0.3 CCCC(=S)OCCC(C)C f87a8472ce883931995adcfbbae92853 [1,2,0,0,0,0|0,0,1]=4 20798 B10R0.3 CCCC(C)CCOC(C)C 4ffc3b4b26a14d322e9d9a5b1e9b3cf2 [1,2,0,0,0,0|1,0,0]=4 20799 B10R0.3 CCCC(C)CNCC(C)C de8febd07facfc6332d380291e8161bf [1,2,0,0,0,0|1,0,0]=4 20800 B10R0.3 CCCC(C)CNCC(C)O 1185b2a8636321e34262b3a33c5278a2 [1,2,0,0,0,0|1,0,0]=4 20801 B10R0.3 CCCC(C)CNC[C@@H](C)O 159f6b788c84a4ebb0276c80ab93b9f6 [1,2,0,0,0,0|1,0,0]=4 20802 B10R0.3 CCCC(C)CNC[C@H](C)O 4bbbbe30e7f777af7b0c20a9e927e013 [1,2,0,0,0,0|1,0,0]=4 20803 B10R0.3 CCCC(C)COCC(=O)C 680a9eb06801e2e1ff47a08475f12e8f [1,2,0,0,0,0|0,0,1]=4 20804 B10R0.3 CCCC(C)COCC(C)C b38c1d34dfb65389652b0187abf1825d [1,2,0,0,0,0|0,0,0]=3 20805 B10R0.3 CCCC(C)COCC(C)F 1771c56a547194ba8cb05c458ea61e3c [1,2,0,0,0,0|0,0,0]=3 20806 B10R0.3 CCCC(C)COCC(C)S 0b6f3ecbdfee4c6b354f18362916e879 [1,2,0,0,0,0|0,0,0]=3 20807 B10R0.3 CCCC(C)COCC(F)F 57d9e6d96eb4e4e5e9270a348eb5d1e0 [1,2,0,0,0,0|1,0,0]=4 20808 B10R0.3 CCCC(C)COCN(C)C 3cb72f4df67ae6b78a98694bd4807852 [1,2,0,0,0,0|1,0,0]=4 20809 B10R0.3 CCCC(C)COC[C@@H](C)F 2dc6bcd20dcf59f6544e92c88390efe1 [1,2,0,0,0,0|0,0,0]=3 20810 B10R0.3 CCCC(C)COC[C@H](C)F f647675ceccfe32130b505350b6cd2e8 [1,2,0,0,0,0|0,0,0]=3 20811 B10R0.3 CCCC(C)NCCC(C)C 9cb3778929cdd14b4d65d99e643cfb88 [1,2,0,0,0,0|1,0,0]=4 20812 B10R0.3 CCCC(C)NCCC(C)O b9ae6e6bb30d9b793443a7c789bc7806 [1,2,0,0,0,0|1,0,0]=4 20813 B10R0.3 CCCC(C)NCC[C@@H](C)O 884a24d7d7f17a05787a88a4608c1b73 [1,2,0,0,0,0|1,0,0]=4 20814 B10R0.3 CCCC(C)NCC[C@H](C)O 50b9a53fc6bd281bc66bfa40dede3046 [1,2,0,0,0,0|1,0,0]=4 20815 B10R0.3 CCCC(C)OCCC(=O)C 3778cd23d00521ffbf2c28aaf2ea07be [1,2,0,0,0,0|0,0,1]=4 20816 B10R0.3 CCCC(C)OCCC(C)C 7f3c68a50dd56409c35aac3a2135109c [1,2,0,0,0,0|0,0,0]=3 20817 B10R0.3 CCCC(C)OCCC(F)F 66611b2604aed7f1159224b64aebce85 [1,2,0,0,0,0|1,0,0]=4 20818 B10R0.3 CCCC(C)OCCN(C)C 4a70b26bf8b966ca212ddbc79ce43007 [1,2,0,0,0,0|1,0,0]=4 20819 B10R0.3 CCCC(C)OCCS(=O)C 784b139e67be0ed78e719532cfeb5251 [1,2,0,0,0,0|1,0,0]=4 20820 B10R0.3 CCCC(C)OCOC(C)C b8a6470bf6a80504b13c9f0fa8836561 [1,2,0,0,0,0|1,0,0]=4 20821 B10R0.3 CCCC(O)CNCC(C)C 47f20c9bbfb361ad218218d59c54d1a3 [1,2,0,0,0,0|1,0,0]=4 20822 B10R0.3 CCCC(O)CNCC(C)O 4f4b0a2e534075e0adca91dea8585b8b [1,2,0,0,0,0|1,0,0]=4 20823 B10R0.3 CCCC(O)CNC[C@@H](C)O 8d1541dc165ecb5206799566ce3dd7c4 [1,2,0,0,0,0|1,0,0]=4 20824 B10R0.3 CCCC(O)CNC[C@H](C)O 3894c6e8861a6e9a701a00fbd58383b1 [1,2,0,0,0,0|1,0,0]=4 20825 B10R0.3 CCCC(S)CCOC(C)C 45310407b443e0af809922b6ea18317c [1,2,0,0,0,0|1,0,0]=4 20826 B10R0.3 CCCN(C)CCCC(C)C 231f713b6c52f6022e12909a8f96d55f [1,2,0,0,0,0|1,0,0]=4 20827 B10R0.3 CCCN(C)CCCC(C)O bcb8921018679fc023b0f411f18b9d7c [1,2,0,0,0,0|1,0,0]=4 20828 B10R0.3 CCC[C@@H](C)OCCC(=O)C b51690e8ce68e4f5d29359acf4cf0109 [1,2,0,0,0,0|0,0,1]=4 20829 B10R0.3 CCC[C@@H](C)OCCC(C)C b998b137f877d71ecbf36c6f61cda26a [1,2,0,0,0,0|0,0,0]=3 20830 B10R0.3 CCC[C@@H](C)OCCN(C)C 8007454e03dde6f789301ded080d0af0 [1,2,0,0,0,0|1,0,0]=4 20831 B10R0.3 CCC[C@@H](C)OCCS(=O)C f9bb399bee303e684dedf50f3260f208 [1,2,0,0,0,0|1,0,0]=4 20832 B10R0.3 CCC[C@@H](C)OCOC(C)C afca78dfaf7aa6046e4d9df7bc92f95e [1,2,0,0,0,0|1,0,0]=4 20833 B10R0.3 CCC[C@H](C)NCCC(C)C 811a3497b83b2a1e395001a2f8cc5788 [1,2,0,0,0,0|1,0,0]=4 20834 B10R0.3 CCC[C@H](C)NCCC(C)O 35714d43a387d179596c938a096248ec [1,2,0,0,0,0|1,0,0]=4 20835 B10R0.3 CCC[C@H](C)OCCC(=O)C d32458ec547f9bb264745e9ee2ac1a5a [1,2,0,0,0,0|0,0,1]=4 20836 B10R0.3 CCC[C@H](C)OCCC(C)C 0b07aece7c8562a164231f84e6c3b8ce [1,2,0,0,0,0|0,0,0]=3 20837 B10R0.3 CCC[C@H](C)OCCN(C)C e4819e7edc61f3a688dd7fcd3ff1facc [1,2,0,0,0,0|1,0,0]=4 20838 B10R0.3 CCC[C@H](C)OCCS(=O)C 4540b8ff4efdf2b98c244ebe9426ad42 [1,2,0,0,0,0|1,0,0]=4 20839 B10R0.3 CCC[C@H](C)OCOC(C)C 9281c738f617b5fe3757a2798cd1e459 [1,2,0,0,0,0|1,0,0]=4 20840 B10R0.3 CCNC(C)CCCC(C)C 97573178a0d82ef3e5c895d4003d4aeb [1,2,0,0,0,0|1,0,0]=4 20841 B10R0.3 CCOC(C)CCCC(C)C 04034ba2b012fb4877b465e2ae762835 [1,2,0,0,0,0|1,0,0]=4 20842 B10R0.3 CCOC(C)COCC(C)C ba3c9df249e1aee4d137e2f6d6dd84e9 [1,2,0,0,0,0|1,0,0]=4 20843 B10R0.3 COCC(C)COCC(C)C e12b358dafc06646d4d39d949ea826df [1,2,0,0,0,0|1,0,0]=4 20844 B10R0.3 COCC(C)OCCC(C)C 60577c53dd540401812508b248d969b1 [1,2,0,0,0,0|1,0,0]=4 20845 B10R0.3 COC[C@@H](C)OCCC(C)C 7a4554165307eff2aa84ddb272fd8fe8 [1,2,0,0,0,0|1,0,0]=4 20846 B10R0.3 COC[C@H](C)COCC(C)C 8ac9656cdb548193022678fe0888cc45 [1,2,0,0,0,0|1,0,0]=4 20847 B10R0.3 COC[C@H](C)OCCC(C)C d600987725da0c0e20a71f2a4e4ebdfc [1,2,0,0,0,0|1,0,0]=4 20848 B10R0.3 CSCC(C)OCCC(C)C 2cf087632a573edd94ef1a6d8d920410 [1,2,0,0,0,0|1,0,0]=4 20849 B10R0.3 C[C@@H](F)COC[C@@H](O)CCO c8acfdee9ac9a2f5fc9268b666e3aa46 [1,2,0,0,0,0|1,0,0]=4 20850 B10R0.3 C[C@H](F)COC[C@@H](O)CCO 1ce819ca3f76e0abbb26d22e93d648bd [1,2,0,0,0,0|1,0,0]=4 20851 B10R0.6 CC(C)CC(C)COCCF f63c2c28a61e47f63ea69fb0c9a9198a [1,2,0,0,0,0|1,0,0]=4 20852 B10R0.6 CC(C)CC(C)COCCS d2d74da5280658ee38c6165482d41e88 [1,2,0,0,0,0|1,0,0]=4 20853 B10R0.6 CC(C)CC(C)OCCCF 38d5b9816c70d5d38c554f304a9fb2d1 [1,2,0,0,0,0|1,0,0]=4 20854 B10R0.6 CC(C)CC(C)OCCCS 2603219bc9e6742b0148d8aafe4cb67f [1,2,0,0,0,0|1,0,0]=4 20855 B10R0.6 CC(C)C[C@@H](C)OCCCF 6f6cb4bb6a1ebe24bb43d8ce90c24d2b [1,2,0,0,0,0|1,0,0]=4 20856 B10R0.6 CC(C)C[C@@H](C)OCCCS 00a432ac45f32891c29b58ac7ade0418 [1,2,0,0,0,0|1,0,0]=4 20857 B10R0.6 CC(C)C[C@H](C)OCCCF f9d42601cc3dbb01a487175e0e7d164f [1,2,0,0,0,0|1,0,0]=4 20858 B10R0.6 CC(C)C[C@H](C)OCCCS f44d21f2ef7b39778ba5876b88ad52ed [1,2,0,0,0,0|1,0,0]=4 20859 B10R0.6 CCCCCC(C)NC(C)C 1e5700711a489d2a7090950621ae62ee [1,2,0,0,0,0|1,0,0]=4 20860 B10R0.6 CCCCCC(C)OC(C)C 95b0f06e4023c661a347d1a359881d00 [1,2,0,0,0,0|1,0,0]=4 20861 B10R0.6 CCCCCN(C)CC(C)C f9fc3472d400d85b2a46f0c906024916 [1,2,0,0,0,0|1,0,0]=4 20862 B10R0.6 CCCCCN(C)CC(C)O 901fef81c3595ff2c01b25c0d15a49c8 [1,2,0,0,0,0|1,0,0]=4 20863 B10R0.6 CCCCCN(C)C[C@@H](C)O afc2448e222a7091f88ee19e4f713057 [1,2,0,0,0,0|1,0,0]=4 20864 B10R0.6 CCCCCN(C)C[C@H](C)O d10accc63c31e841e5b492aed9733d0f [1,2,0,0,0,0|1,0,0]=4 20865 B10R0.6 CCCCC[C@@H](C)OC(C)C c949db6949068bbc1ac83e262232b3a5 [1,2,0,0,0,0|1,0,0]=4 20866 B10R0.6 CCCCC[C@H](C)NC(C)C 0591ca284dce3367d21ef40d6a9a3ca7 [1,2,0,0,0,0|1,0,0]=4 20867 B10R0.6 CCCCC[C@H](C)OC(C)C 4424b843f9aca94dfe1bca2a6a34affd [1,2,0,0,0,0|1,0,0]=4 20868 B10R0.6 CCCCNC(C)CC(C)C 81b2606fa5d420f2301ad6206a2c46c0 [1,2,0,0,0,0|1,0,0]=4 20869 B10R0.6 CCCCNC(C)CC(C)O 2aedcf4a2cf446830670aa55ed1888f8 [1,2,0,0,0,0|1,0,0]=4 20870 B10R0.6 CCCCOC(C)CC(C)C 30222795e797652dedd77f4f8402fee4 [1,2,0,0,0,0|0,0,0]=3 20871 B10R0.6 CCCCOC(C)CN(C)C 077c1dd4d3862b643ac0f448ba7b4a18 [1,2,0,0,0,0|1,0,0]=4 20872 B10R0.6 CCCCO[C@@H](C)CC(C)C 9768e37772e493f567b9d9b4dbee377e [1,2,0,0,0,0|0,0,0]=3 20873 B10R0.6 CCCCO[C@@H](C)CN(C)C 15b6d7dde57143097bca3677a20a89c1 [1,2,0,0,0,0|1,0,0]=4 20874 B10R0.6 CCCCO[C@H](C)CC(C)C 486d5c04f57633f6e44ee063c791613e [1,2,0,0,0,0|0,0,0]=3 20875 B10R0.6 CCCCO[C@H](C)CN(C)C b12e5963110fb07b999c7eed8128bbe8 [1,2,0,0,0,0|1,0,0]=4 20876 B10R0.6 CCCNCC(O)CC(C)C d45de2986327e204ca9ff02ab6f21b81 [1,2,0,0,0,0|1,0,0]=4 20877 B10R0.6 CCCOCC(=O)CC(C)C b189f7aa06f5e5eb201f826b495694cc [1,2,0,0,0,0|0,0,1]=4 20878 B10R0.6 CCCOCC(C)CC(C)C abd01a0866ae86eccde4c7f8d63e5359 [1,2,0,0,0,0|0,0,0]=3 20879 B10R0.6 CCCOCC(C)CN(C)C b905d824ab0cb9c6449a9e3e266632fc [1,2,0,0,0,0|1,0,0]=4 20880 B10R0.6 CCCOCC(C)OC(C)C 91fa45f80e80c4224e5ec4dcc4a54be7 [1,2,0,0,0,0|1,0,0]=4 20881 B10R0.6 CCCOC[C@@H](C)CN(C)C 526bb5969e870a0c81450139fe3e5ae2 [1,2,0,0,0,0|1,0,0]=4 20882 B10R0.6 CCCOC[C@H](C)CN(C)C 1e035dd904d6e886d9b04996c9a24626 [1,2,0,0,0,0|1,0,0]=4 20883 B10R0.6 CCOCCC(C)CC(C)C e745261d121f85d9fda1723021bf0c24 [1,2,0,0,0,0|1,0,0]=4 20884 B10R0.6 COCCOC(C)CC(C)C 5abcb46169c4e72a87b1fc63b4ec6331 [1,2,0,0,0,0|1,0,0]=4 20885 B10R0.6 COCCO[C@@H](C)CC(C)C 51217cc793445de69eadb66d64927797 [1,2,0,0,0,0|1,0,0]=4 20886 B10R0.6 COCCO[C@H](C)CC(C)C 3d0865a4feb1ba34ffe80859feef6d6a [1,2,0,0,0,0|1,0,0]=4 20887 B10R0.6 COCOCC(C)CC(C)C 8480578420e0b4bf8162f9dd370fe1a4 [1,2,0,0,0,0|1,0,0]=4 20888 B10R0.6 CSCCOC(C)CC(C)C 60a0a8220e585c2de6a2c0ad1fc9526c [1,2,0,0,0,0|1,0,0]=4 20889 B10R0.6 CSCCO[C@@H](C)CC(C)C 6e92ba6e0a52adb19b0c77674b0437cb [1,2,0,0,0,0|1,0,0]=4 20890 B10R0.6 CSCCO[C@H](C)CC(C)C 553e0695de65d879e85e8a2227570d68 [1,2,0,0,0,0|1,0,0]=4 20891 B10R0.6 CSCOCC(C)CC(C)C cd899d3c7238bb5f0e298958d7175a8d [1,2,0,0,0,0|1,0,0]=4 20892 B10R0.22 CC(C)(Br)COCCCCF ae1a6370bc899f322fc2c561aef8c27b [1,2,0,0,0,0|1,0,0]=4 20893 B10R0.22 CC(C)(C)CCCOCCF e194cbbd22f5ec0a7a1f35d37e668720 [1,2,0,0,0,0|1,0,0]=4 20894 B10R0.22 CC(C)(C)CCCOCCS 833eba9daebc989784bd1e839cbb648b [1,2,0,0,0,0|1,0,0]=4 20895 B10R0.22 CC(C)(C)CCOCCCF 9c1b4495f10fd2a173a6aa32a9fd4248 [1,2,0,0,0,0|1,0,0]=4 20896 B10R0.22 CC(C)(C)CCOCCCS 4762df2704efd9f79ff8fda30bf3c819 [1,2,0,0,0,0|1,0,0]=4 20897 B10R0.22 CC(C)(C)COCCCCF dfd56e311ef46474b00fe846737dfb36 [1,2,0,0,0,0|1,0,0]=4 20898 B10R0.22 CC(C)(C)COCCCCS fb29a1725ac1dd26a9b60c7751a5b398 [1,2,0,0,0,0|1,0,0]=4 20899 B10R0.22 CC(C)(F)COCCCCF d3cd35c7dc9a17cfc9dcd5d2e431ec36 [1,2,0,0,0,0|1,0,0]=4 20900 B10R0.22 CC(C)(F)COCCCCS 23d0bf479dba3c5286f34dd60e803387 [1,2,0,0,0,0|1,0,0]=4 20901 B10R0.22 CC(C)(O)CCCOCCF 50c1fdead87a24cb0bb2afc0e6e1990e [1,2,0,0,0,0|1,0,0]=4 20902 B10R0.22 CC(C)(O)CCCOCCS cc038bae03b4330c23c9635441124f48 [1,2,0,0,0,0|1,0,0]=4 20903 B10R0.22 CC(C)(O)CCOCCCF bdc92ac349daab88e0eae57da80313f4 [1,2,0,0,0,0|1,0,0]=4 20904 B10R0.22 CC(C)(O)CCOCCCS f51ca7c74fe2564434a913bb9fb51e36 [1,2,0,0,0,0|1,0,0]=4 20905 B10R0.22 CC(C)(O)COCCCCF 1a5f4aea3b4e4ba6a0f8a40e2df619d9 [1,2,0,0,0,0|1,0,0]=4 20906 B10R0.22 CC(C)(O)COCCCCS ed36989f5572b40137a2e28f86e8fa8c [1,2,0,0,0,0|1,0,0]=4 20907 B10R0.22 CC(C)(S)CCOCCCF 166e182aea997cd3bc29d73a3b932842 [1,2,0,0,0,0|1,0,0]=4 20908 B10R0.22 CC(C)(S)CCOCCCS cbd2b87fb8b5e11a91eb2a8ae8658b25 [1,2,0,0,0,0|1,0,0]=4 20909 B10R0.22 CC(C)(S)COCCCCF f8b07f1d6d9824b55b6356907e9aff57 [1,2,0,0,0,0|1,0,0]=4 20910 B10R0.22 CC(F)(F)CCCOCCF 02955e9245a740491c5abfd78e5665ed [1,2,0,0,0,0|1,0,0]=4 20911 B10R0.22 CC(F)(F)CCCOCCS 538da8fe11c5b5cadeba7d2c0a0f7986 [1,2,0,0,0,0|1,0,0]=4 20912 B10R0.22 CC(F)(F)CCOCCCF dc479fe157687b6741f1dd4c5004634e [1,2,0,0,0,0|1,0,0]=4 20913 B10R0.22 CC(F)(F)CCOCCCS 292b6a27e5102264f411bb0d45ddab16 [1,2,0,0,0,0|1,0,0]=4 20914 B10R0.22 CC(F)(F)COCCCCF 1586ff1edbccc7ec0c1ffdc684090765 [1,2,0,0,0,0|1,0,0]=4 20915 B10R0.22 CC(F)(F)COCCCCS 848ee32cebfb6d0891aa9bad84209148 [1,2,0,0,0,0|1,0,0]=4 20916 B10R0.22 CCCCCCNC(C)(C)C f376fde3f4ef108fa6306ff9bfdfecc9 [1,2,0,0,0,0|1,0,0]=4 20917 B10R0.22 CCCCCNCC(C)(C)C 58693a6faddb179dd2c97493e005d977 [1,2,0,0,0,0|1,0,0]=4 20918 B10R0.22 CCCCCNCC(C)(C)F 5a2377c9f27be2e938e211bcf550cd71 [1,2,0,0,0,0|1,0,0]=4 20919 B10R0.22 CCCCCNCC(C)(C)O ae94554c022fd64cb28e25b38aad49ef [1,2,0,0,0,0|1,0,0]=4 20920 B10R0.22 CCCCCNCC(C)(F)F 0459e421f6a8f3a2c619f0ba1de2a4e7 [1,2,0,0,0,0|1,0,0]=4 20921 B10R0.22 CCCCCOCC(C)(C)Br 21a6f492b29d3989a605b518d583fc2f [1,2,0,0,0,0|0,0,0]=3 20922 B10R0.22 CCCCCOCC(C)(C)C b67be38139cfbcf7ddc8cafbcbb0f9e5 [1,2,0,0,0,0|0,0,0]=3 20923 B10R0.22 CCCCCOCC(C)(C)F 14277a52e6ca265560c977d0b534154c [1,2,0,0,0,0|0,0,0]=3 20924 B10R0.22 CCCCCOCC(C)(C)O 956f995c6f1d387ad17dbba4b5f8e90e [1,2,0,0,0,0|0,0,0]=3 20925 B10R0.22 CCCCCOCC(C)(C)S 00cb3cfd95421e6aae00dc81aecebd97 [1,2,0,0,0,0|0,0,0]=3 20926 B10R0.22 CCCCCOCC(C)(F)F 6ccd612d43f296852286c7469053bdb8 [1,2,0,0,0,0|0,0,0]=3 20927 B10R0.22 CCCCCOCC(F)(F)Br e78e8dd4607f72f059934060ca20c6c3 [1,2,0,0,0,0|1,0,0]=4 20928 B10R0.22 CCCCCOCC(F)(F)Cl 1550de73096754dfb4e2946e32e89b1f [1,2,0,0,0,0|1,0,0]=4 20929 B10R0.22 CCCCCOCC(F)(F)F e9c44f800d72d7fff4f3b8e19228b595 [1,2,0,0,0,0|1,0,0]=4 20930 B10R0.22 CCCCCOCS(=O)(=O)C 42e3f1de9aa47a4467af87ed7e197c21 [1,2,0,0,0,0|1,0,0]=4 20931 B10R0.22 CCCCNCCC(C)(C)C f5657a45c84dd293ca7722b29d511ae4 [1,2,0,0,0,0|1,0,0]=4 20932 B10R0.22 CCCCNCCC(C)(C)F 4ea39a5a824213826f0e4f8298be5c57 [1,2,0,0,0,0|1,0,0]=4 20933 B10R0.22 CCCCNCCC(C)(C)O f6662fa2ef50877aaf425a71e1319028 [1,2,0,0,0,0|1,0,0]=4 20934 B10R0.22 CCCCNCCC(C)(F)F 10cfaf07fa44f7fd7b9f14abe4987f4a [1,2,0,0,0,0|1,0,0]=4 20935 B10R0.22 CCCCOCCC(C)(C)C dd5b8363feaac6db8ea8ec7b0c29e30e [1,2,0,0,0,0|0,0,0]=3 20936 B10R0.22 CCCCOCCC(C)(C)O 8a996f4b5951e279667e40071f0a4e68 [1,2,0,0,0,0|0,0,0]=3 20937 B10R0.22 CCCCOCCC(C)(C)S 922e9624566731302169baa198c25737 [1,2,0,0,0,0|0,0,0]=3 20938 B10R0.22 CCCCOCCC(C)(F)F 6117e9c8188947cbdfb75b526bbaf6c7 [1,2,0,0,0,0|0,0,0]=3 20939 B10R0.22 CCCCOCCC(F)(F)F a8c254273859f886cb42076aa715c048 [1,2,0,0,0,0|1,0,0]=4 20940 B10R0.22 CCCCOCCS(=N)(=O)C 014cc0fd4592c531b51b853b936ef2e8 [1,2,0,0,0,0|1,0,0]=4 20941 B10R0.22 CCCCOCCS(=O)(=O)C 3d678b0b901e28dd272db304da1b5508 [1,2,0,0,0,0|1,0,0]=4 20942 B10R0.22 CCCCOCNC(C)(C)C 6f29f37d400868e5b147d2f3dc8b6899 [1,2,0,0,0,0|1,0,0]=4 20943 B10R0.22 CCCNCCCC(C)(C)C 4cf302384e37b61e8f50b1b52cfc796e [1,2,0,0,0,0|1,0,0]=4 20944 B10R0.22 CCCNCCCC(C)(C)O 61651489957c568eec9c91fe7dc9a238 [1,2,0,0,0,0|1,0,0]=4 20945 B10R0.22 CCCNCCCC(C)(F)F 43c14eeaaccc63451c22b8404b51a5ac [1,2,0,0,0,0|1,0,0]=4 20946 B10R0.22 CCCOCCCC(C)(C)C 4279be04a786d8947bbd9b33620101f5 [1,2,0,0,0,0|0,0,0]=3 20947 B10R0.22 CCCOCCCC(C)(C)O 2b98d0ef5702340b2a272ca19269d4f3 [1,2,0,0,0,0|0,0,0]=3 20948 B10R0.22 CCCOCCCC(C)(F)F 5d3d50573720fa2a1a00d4ba2a88ec8c [1,2,0,0,0,0|0,0,0]=3 20949 B10R0.22 CCCOCCCC(F)(F)F 55e878438bb8ab2591fbfd2ebc6002e8 [1,2,0,0,0,0|1,0,0]=4 20950 B10R0.22 CCCOCCCS(=O)(=O)C d044a7e0cf5b0bc808770a1107b6dd88 [1,2,0,0,0,0|1,0,0]=4 20951 B10R0.22 CCCOCCNC(C)(C)C d717ced999b3710d78e7f1f9e84a912c [1,2,0,0,0,0|1,0,0]=4 20952 B10R0.22 CCCOCCOC(C)(C)C ade6e085e09aecc913c12379ea816058 [1,2,0,0,0,0|1,0,0]=4 20953 B10R0.22 CCCOCCSC(C)(C)C be999a6de0141302264a4f2f4303b66b [1,2,0,0,0,0|1,0,0]=4 20954 B10R0.22 CCOCCCCC(C)(C)C 01d67e27169dbfaee1e75caae611946d [1,2,0,0,0,0|1,0,0]=4 20955 B10R0.22 CCOCCOCC(C)(C)Br 5186edbfded6e2e849d31d9f57f401b1 [1,2,0,0,0,0|1,0,0]=4 20956 B10R0.22 CCOCCOCC(C)(C)C ebb3a06a3f83af16d9c3098bca560e3d [1,2,0,0,0,0|1,0,0]=4 20957 B10R0.22 CCOCCOCC(C)(C)F 7ffbf3785ad510e9e817dec498dc4b20 [1,2,0,0,0,0|1,0,0]=4 20958 B10R0.22 CCOCCOCC(C)(C)O bccf9015896121bf0f2432e75e98c1f7 [1,2,0,0,0,0|1,0,0]=4 20959 B10R0.22 CCOCCOCC(C)(C)S 2a504f30cf35b4f5123433397c62d270 [1,2,0,0,0,0|1,0,0]=4 20960 B10R0.22 CCOCCOCC(C)(F)F 02f2843f0b9b17c5cfcdf1431550abba [1,2,0,0,0,0|1,0,0]=4 20961 B10R0.22 CCOCOCCC(C)(C)C 4a8a253297a7d2186084c9ad7dd88ac7 [1,2,0,0,0,0|1,0,0]=4 20962 B10R0.22 CCOCOCCC(C)(C)S c671b77d443b9e593dd5f7b8b2df709b [1,2,0,0,0,0|1,0,0]=4 20963 B10R0.22 CCOCOCCC(C)(F)F fb11c316b85c7b62bbda1ce0687c282a [1,2,0,0,0,0|1,0,0]=4 20964 B10R0.22 CCSCCOCC(C)(C)Br 47bfe96024c0aac99e0341e19b95a39f [1,2,0,0,0,0|1,0,0]=4 20965 B10R0.22 CCSCCOCC(C)(C)C daafae8b4445e35523a7f779916e3760 [1,2,0,0,0,0|1,0,0]=4 20966 B10R0.22 CCSCCOCC(C)(C)F d2609507a4214868abbe7543d411426a [1,2,0,0,0,0|1,0,0]=4 20967 B10R0.22 CCSCCOCC(C)(C)O 53153b457790bab92a6f6e0a6776e2e8 [1,2,0,0,0,0|1,0,0]=4 20968 B10R0.22 CCSCCOCC(C)(C)S 66c6b9cdfd236ff8e61671cf06dfee25 [1,2,0,0,0,0|1,0,0]=4 20969 B10R0.22 CCSCCOCC(C)(F)F a8a3e234724a9c64dcd3c18d075268e5 [1,2,0,0,0,0|1,0,0]=4 20970 B10R0.22 COCCCOCC(C)(C)Br 72192b56e3808683b9b5488a3b4c4d50 [1,2,0,0,0,0|1,0,0]=4 20971 B10R0.22 COCCCOCC(C)(C)C ca15045830afecc21e906ce606f56e5a [1,2,0,0,0,0|1,0,0]=4 20972 B10R0.22 COCCCOCC(C)(C)F d47231e034868dbd94212da31dc84d13 [1,2,0,0,0,0|1,0,0]=4 20973 B10R0.22 COCCCOCC(C)(C)O 0acd498f29de8fa22e9cecb1d3d8fe2f [1,2,0,0,0,0|1,0,0]=4 20974 B10R0.22 COCCCOCC(C)(C)S c9375c642b8ca115e9875a082cbdf3ae [1,2,0,0,0,0|1,0,0]=4 20975 B10R0.22 COCCCOCC(C)(F)F e0e03cc2b6886d803069ced8724322eb [1,2,0,0,0,0|1,0,0]=4 20976 B10R0.22 COCCOCCC(C)(C)C 10b69f7bfab0321179a1b46f51e89174 [1,2,0,0,0,0|1,0,0]=4 20977 B10R0.22 COCCOCCC(C)(C)O aefc2c1e046433d7afd1ab5a22ec6b1e [1,2,0,0,0,0|1,0,0]=4 20978 B10R0.22 COCCOCCC(C)(C)S 088dc806ccbf42f2fd5fbe5473cf3396 [1,2,0,0,0,0|1,0,0]=4 20979 B10R0.22 COCCOCCC(C)(F)F 333064f4b507dbb9bcb9f57b933ac5c6 [1,2,0,0,0,0|1,0,0]=4 20980 B10R0.22 COCOCCCC(C)(C)C 144dabceff6e18f848f28ed63a559bce [1,2,0,0,0,0|1,0,0]=4 20981 B10R0.22 COCOCCCC(C)(C)O f776cdf57849c917bccba9ad5b944b3a [1,2,0,0,0,0|1,0,0]=4 20982 B10R0.22 COCOCCCC(C)(F)F a853af28dfee4578175d3ceed9577004 [1,2,0,0,0,0|1,0,0]=4 20983 B10R0.22 CSCCCOCC(C)(C)Br dbd1df5b833b03f3099812168cd14be0 [1,2,0,0,0,0|1,0,0]=4 20984 B10R0.22 CSCCCOCC(C)(C)C 123bf14310a35f7ede2d1eb27a2aae28 [1,2,0,0,0,0|1,0,0]=4 20985 B10R0.22 CSCCCOCC(C)(C)F 030a8038539d6d9227e95216860e900b [1,2,0,0,0,0|1,0,0]=4 20986 B10R0.22 CSCCCOCC(C)(C)O 9d72c302cebc56f52b11f4f29f682940 [1,2,0,0,0,0|1,0,0]=4 20987 B10R0.22 CSCCCOCC(C)(C)S bc727e0777688e094fb369ee2f911753 [1,2,0,0,0,0|1,0,0]=4 20988 B10R0.22 CSCCCOCC(C)(F)F c6006f47f30cff5590f460115d36576e [1,2,0,0,0,0|1,0,0]=4 20989 B10R0.22 CSCCOCCC(C)(C)C 566927d0748334362ed36761bae20144 [1,2,0,0,0,0|1,0,0]=4 20990 B10R0.22 CSCCOCCC(C)(C)O 6c1325de41902002c9772f8720768a6a [1,2,0,0,0,0|1,0,0]=4 20991 B10R0.22 CSCCOCCC(C)(C)S 42e95ccd561d21abbe67c5e4b07f7a59 [1,2,0,0,0,0|1,0,0]=4 20992 B10R0.22 CSCCOCCC(C)(F)F 553dbd8dcf1af90b6c6efdfba95a9b97 [1,2,0,0,0,0|1,0,0]=4 20993 B10R0.22 CSCOCCCC(C)(C)C ea833ba1a0e7e1454d3e8072330fd393 [1,2,0,0,0,0|1,0,0]=4 20994 B10R0.55 C=C(C)CCCOC(C)CC 7f4be0c3352b4483482cfad6306fe7ba [1,2,0,0,0,0|0,0,1]=4 20995 B10R0.55 C=C(C)CCCO[C@@H](C)CC a04a86085d89763e28d3528a2f3ee1f2 [1,2,0,0,0,0|0,0,1]=4 20996 B10R0.55 C=C(C)CCCO[C@H](C)CC f81b7d5dadd88320fc85eb916061c386 [1,2,0,0,0,0|0,0,1]=4 20997 B10R0.55 C=C(C)CCOCC(C)CC e032c351af65786808f894807fc92d8a [1,2,0,0,0,0|0,0,1]=4 20998 B10R0.55 C=C(C)CCOC[C@@H](C)CC 4ab30b367c68db19f7861fd43857107e [1,2,0,0,0,0|0,0,1]=4 20999 B10R0.55 C=C(C)CCOC[C@H](C)CC bdc1b448e5535458ac0e6404b4af5519 [1,2,0,0,0,0|0,0,1]=4 21000 B10R0.55 C=C(C)COCCC(C)CC 889543ee475f0134dfb441cf0530d442 [1,2,0,0,0,0|0,0,1]=4 21001 B10R0.55 C=C(C)COCCC(S)CC c152980cd0987ecf3418b6defdb780e4 [1,2,0,0,0,0|0,0,1]=4 21002 B10R0.55 C=C(C)COCC[C@@H](C)CC 2efbec83099b7397b86ccf72cde1c1b6 [1,2,0,0,0,0|0,0,1]=4 21003 B10R0.55 C=C(CC)COCCC(C)C e3a31c8babc951c6945b047afd37ed9c [1,2,0,0,0,0|0,0,1]=4 21004 B10R0.55 CC(C)CCCOC(C)CF 06539b7a8a06dfed7efa033da1358ead [1,2,0,0,0,0|1,0,0]=4 21005 B10R0.55 CC(C)CCCOC(C)CS d8cfb0f2adbdeab677b451b8427a2ad6 [1,2,0,0,0,0|1,0,0]=4 21006 B10R0.55 CC(C)CCCO[C@H](C)CS d635d978d5e1efc75d0bf8fa23317594 [1,2,0,0,0,0|1,0,0]=4 21007 B10R0.55 CC(C)CCOCC(Br)CBr 1f9cf5513bccde1ac9d4236674e3c893 [1,2,0,0,0,0|1,0,0]=4 21008 B10R0.55 CC(C)CCOCC(Cl)CCl fee648f2132dd46512d5816f432901f5 [1,2,0,0,0,0|1,0,0]=4 21009 B10R0.55 CC(C)CCOCC(O)CO 1de19c6d1788ed85651df72ab7d6eb69 [1,2,0,0,0,0|1,0,0]=4 21010 B10R0.55 CC(C)CCOCC(S)CS afe8724e8ce51e17baaf8b1b3c670e2d [1,2,0,0,0,0|1,0,0]=4 21011 B10R0.55 CC(C)CCOC[C@@H](O)CO c516db4bacccc470ca7c1b054525892d [1,2,0,0,0,0|1,0,0]=4 21012 B10R0.55 CC(C)CCOC[C@H](O)CO 14bc024f237346e58296178ed3309438 [1,2,0,0,0,0|1,0,0]=4 21013 B10R0.55 CCC(=O)COCCC(C)C ee914b8910e29157266bcbd585498678 [1,2,0,0,0,0|0,0,1]=4 21014 B10R0.55 CCC(C)CCCOC(C)C 8d822e630ab057353ae41257ec3dd668 [1,2,0,0,0,0|1,0,0]=4 21015 B10R0.55 CCC(C)CCNCC(C)C 2e86493a3d5c0548c724fccc6cf9170a [1,2,0,0,0,0|1,0,0]=4 21016 B10R0.55 CCC(C)CCNCC(C)O e24c854cb458b04c812ca158a773c41c [1,2,0,0,0,0|1,0,0]=4 21017 B10R0.55 CCC(C)CCNC[C@@H](C)O e80bb5d350541c1e7e384b7628b349bf [1,2,0,0,0,0|1,0,0]=4 21018 B10R0.55 CCC(C)CCNC[C@H](C)O 7efb6f5f481e0d75fda8e84ca7f53a97 [1,2,0,0,0,0|1,0,0]=4 21019 B10R0.55 CCC(C)CCOCC(=O)C 979c0077b343550b911854fe59bc8f4c [1,2,0,0,0,0|0,0,1]=4 21020 B10R0.55 CCC(C)CCOCC(C)C 68592c2faed4d8067c061b22fe4dcb0f [1,2,0,0,0,0|0,0,0]=3 21021 B10R0.55 CCC(C)CCOCC(C)F 549304c07e3ffec785d9d658fa68be97 [1,2,0,0,0,0|0,0,0]=3 21022 B10R0.55 CCC(C)CCOCC(C)S e68e7a1dfde394dac69b676786afd55a [1,2,0,0,0,0|0,0,0]=3 21023 B10R0.55 CCC(C)CCOCC(F)F d82cf96fb9e596702b3dfb574fc47ee2 [1,2,0,0,0,0|1,0,0]=4 21024 B10R0.55 CCC(C)CCOCN(C)C b1ae6136dbe582c8dcbd23ef8b97e1bd [1,2,0,0,0,0|1,0,0]=4 21025 B10R0.55 CCC(C)CCOC[C@@H](C)F 7e947a920b725f2ca539d9986104ca77 [1,2,0,0,0,0|0,0,0]=3 21026 B10R0.55 CCC(C)CCOC[C@H](C)F 5e5b9d4b6a95472c02afbaf6c22bb1c4 [1,2,0,0,0,0|0,0,0]=3 21027 B10R0.55 CCC(C)CNCCC(C)C 0d46681e2922236f2be35fece2b71e0b [1,2,0,0,0,0|1,0,0]=4 21028 B10R0.55 CCC(C)CNCCC(C)O fd751d4c209fb7995cf70086727902ee [1,2,0,0,0,0|1,0,0]=4 21029 B10R0.55 CCC(C)CNCC[C@@H](C)O 365a7a64bbfd74038cea08e5358bf76e [1,2,0,0,0,0|1,0,0]=4 21030 B10R0.55 CCC(C)CNCC[C@H](C)O 3f4c9969c83839ab8f77f9498710cf32 [1,2,0,0,0,0|1,0,0]=4 21031 B10R0.55 CCC(C)COCCC(=O)C de9221c15942e708a23bb59d59581498 [1,2,0,0,0,0|0,0,1]=4 21032 B10R0.55 CCC(C)COCCC(C)C f93c336fc42dcbccca06d4ea0c33aabe [1,2,0,0,0,0|0,0,0]=3 21033 B10R0.55 CCC(C)COCCC(F)F ec3f6beceea4270e78db09089f25639a [1,2,0,0,0,0|1,0,0]=4 21034 B10R0.55 CCC(C)COCCN(C)C de3a61e04b42e9260c21b621c7fc525b [1,2,0,0,0,0|1,0,0]=4 21035 B10R0.55 CCC(C)COCCS(=O)C c68ab732ebd738c6a155b3b078cb5164 [1,2,0,0,0,0|1,0,0]=4 21036 B10R0.55 CCC(C)COCOC(C)C 05bfba2bba00e909b97bc4a1b41d5a76 [1,2,0,0,0,0|1,0,0]=4 21037 B10R0.55 CCC(C)NCCCC(C)C 0518b6f26bc64b6aca23a949730e4aa2 [1,2,0,0,0,0|1,0,0]=4 21038 B10R0.55 CCC(C)NCCCC(C)O 003a39d9b5f58fa1434940174955506d [1,2,0,0,0,0|1,0,0]=4 21039 B10R0.55 CCC(C)OCCCC(=O)C ecf55f07267ddf03dbea6bfb35b1f5f4 [1,2,0,0,0,0|0,0,1]=4 21040 B10R0.55 CCC(C)OCCCC(C)C 7292591b3a33d8ddb2501130515f0a24 [1,2,0,0,0,0|0,0,0]=3 21041 B10R0.55 CCC(C)OCCCN(C)C 4391c3ba093ee7e1a3cc8c3b82604dbf [1,2,0,0,0,0|1,0,0]=4 21042 B10R0.55 CCC(C)OCCOC(C)C 245ae77137056f882bcd438b5ef34831 [1,2,0,0,0,0|1,0,0]=4 21043 B10R0.55 CCC(C)OCCSC(C)C 5508223f86d1fd40f22b1b04c554e80c [1,2,0,0,0,0|1,0,0]=4 21044 B10R0.55 CCC(O)CNCCC(C)C 55cbe45ac061a1408c59bdedd5d75026 [1,2,0,0,0,0|1,0,0]=4 21045 B10R0.55 CCC(O)CNCCC(C)O 1ac51659057bddb4870440e5d5146689 [1,2,0,0,0,0|1,0,0]=4 21046 B10R0.55 CCC(O)CNCC[C@@H](C)O 2534867446c70d046ae66236e6b680f0 [1,2,0,0,0,0|1,0,0]=4 21047 B10R0.55 CCC(O)CNCC[C@H](C)O 4fa7e42ed8885f9c93351eef91ae52d6 [1,2,0,0,0,0|1,0,0]=4 21048 B10R0.55 CCC(S)CCOCC(C)C 56b51447d1a1f7e1b04e7d7afe517513 [1,2,0,0,0,0|0,0,0]=3 21049 B10R0.55 CCC(S)CCOCC(F)F e11a7832cbbf124915a14080f3b70fe8 [1,2,0,0,0,0|1,0,0]=4 21050 B10R0.55 CCC(S)CCOCN(C)C 70890530b8d3e7933fdfbc3c99f9e4e6 [1,2,0,0,0,0|1,0,0]=4 21051 B10R0.55 CCN(C)CCCCC(C)C 45f523ac41189eb0a3d1e172666cea5d [1,2,0,0,0,0|1,0,0]=4 21052 B10R0.55 CCN(C)CCCCC(C)O 8df8cbcb68479e66bcb12b972388d86c [1,2,0,0,0,0|1,0,0]=4 21053 B10R0.55 CCN(C)CCCC[C@@H](C)O d76029adaa30b5a7e657644f15b16820 [1,2,0,0,0,0|1,0,0]=4 21054 B10R0.55 CCN(C)CCOCC(C)C 29f23ffd888b72fccba6ca86fbb106ce [1,2,0,0,0,0|1,0,0]=4 21055 B10R0.55 CCS(=O)CCOCC(C)F 7e8be48915233357bca7342dd8460122 [1,2,0,0,0,0|1,0,0]=4 21056 B10R0.55 CCS(=O)CCOC[C@@H](C)F 69562a38eee028fe6ebb09378541a60f [1,2,0,0,0,0|1,0,0]=4 21057 B10R0.55 CCS(=O)CCOC[C@H](C)F 1f43bc301e5d6e16b95aad0b75900cf1 [1,2,0,0,0,0|1,0,0]=4 21058 B10R0.55 CC[C@@H](C)CNCCC(C)C d7cf28abf29432202cb5729b579d7f57 [1,2,0,0,0,0|1,0,0]=4 21059 B10R0.55 CC[C@@H](C)CNCCC(C)O 690e5e5d7756939999eef8cb6e81c3d6 [1,2,0,0,0,0|1,0,0]=4 21060 B10R0.55 CC[C@@H](C)CNCC[C@@H](C)O 8d5b029c8b29036138f93bf2a65cadcf [1,2,0,0,0,0|1,0,0]=4 21061 B10R0.55 CC[C@@H](C)CNCC[C@H](C)O 155708a92474f975952f42f65e5d2681 [1,2,0,0,0,0|1,0,0]=4 21062 B10R0.55 CC[C@@H](C)COCCC(=O)C a1e872c2fbdcb933d689574a238e15d5 [1,2,0,0,0,0|0,0,1]=4 21063 B10R0.55 CC[C@@H](C)COCCC(C)C 7460131b7ac491206dab1411f3ea9f47 [1,2,0,0,0,0|0,0,0]=3 21064 B10R0.55 CC[C@@H](C)COCCC(F)F 6f928d40e90d06f2cbaaba9578482b18 [1,2,0,0,0,0|1,0,0]=4 21065 B10R0.55 CC[C@@H](C)COCCN(C)C be2df5c7a04e042e25c6e2f778eacce9 [1,2,0,0,0,0|1,0,0]=4 21066 B10R0.55 CC[C@@H](C)COCCS(=O)C 0c6c04056bd5d37ce7e133167e092dc6 [1,2,0,0,0,0|1,0,0]=4 21067 B10R0.55 CC[C@@H](C)COCOC(C)C 1a17eaba18c2c7284ebc2e153801c324 [1,2,0,0,0,0|1,0,0]=4 21068 B10R0.55 CC[C@@H](C)NCCCC(C)C 3659e0f9b31ca568d8065959d744541d [1,2,0,0,0,0|1,0,0]=4 21069 B10R0.55 CC[C@@H](C)NCCCC(C)O a9d38372b8fc65eb2b1d2b47dc669b23 [1,2,0,0,0,0|1,0,0]=4 21070 B10R0.55 CC[C@@H](C)OCCCC(=O)C 5daf20a2f195e7bf62ce130fd8a8e12d [1,2,0,0,0,0|0,0,1]=4 21071 B10R0.55 CC[C@@H](C)OCCCC(C)C 681b2627835725bc1ffe460c69ea17eb [1,2,0,0,0,0|0,0,0]=3 21072 B10R0.55 CC[C@@H](C)OCCCN(C)C df364b6aea04db6085a01dd9406ec048 [1,2,0,0,0,0|1,0,0]=4 21073 B10R0.55 CC[C@@H](C)OCCOC(C)C dbf14cd6eb2fead909734a00385488d3 [1,2,0,0,0,0|1,0,0]=4 21074 B10R0.55 CC[C@@H](C)OCCSC(C)C f379e9170155322eb78d5e8a192d330d [1,2,0,0,0,0|1,0,0]=4 21075 B10R0.55 CC[C@@H](O)CNCCC(C)C 9be6544c9506232c560a1c3a7f00334b [1,2,0,0,0,0|1,0,0]=4 21076 B10R0.55 CC[C@@H](O)CNCCC(C)O 108ea467a828c215911fdf319afc157c [1,2,0,0,0,0|1,0,0]=4 21077 B10R0.55 CC[C@H](C)CCCOC(C)C a15240c610ff258fe76a090759544075 [1,2,0,0,0,0|1,0,0]=4 21078 B10R0.55 CC[C@H](C)CCOCC(C)C e5013ce040cded6a222817b7764cdbe9 [1,2,0,0,0,0|0,0,0]=3 21079 B10R0.55 CC[C@H](C)CCOCC(F)F 4dc78ca6b6849821c9a29cb88f2699b0 [1,2,0,0,0,0|1,0,0]=4 21080 B10R0.55 CC[C@H](C)CCOCN(C)C ed2cef6f60162547083dd98783220b6c [1,2,0,0,0,0|1,0,0]=4 21081 B10R0.55 CC[C@H](C)CNCCC(C)C 187d202989a1f084ae1e789ecaf470da [1,2,0,0,0,0|1,0,0]=4 21082 B10R0.55 CC[C@H](C)CNCCC(C)O 3790b08d589bb07d88760db1faf51658 [1,2,0,0,0,0|1,0,0]=4 21083 B10R0.55 CC[C@H](C)CNCC[C@@H](C)O 846d3cbe10cfa694fb875def8604b486 [1,2,0,0,0,0|1,0,0]=4 21084 B10R0.55 CC[C@H](C)CNCC[C@H](C)O 5b126ecdcb5a6a57bb546aa6c956e1c4 [1,2,0,0,0,0|1,0,0]=4 21085 B10R0.55 CC[C@H](C)COCCC(=O)C 6e627978bede9d4ce40fadc41c9ece06 [1,2,0,0,0,0|0,0,1]=4 21086 B10R0.55 CC[C@H](C)COCCC(C)C f1b85a23c95d042e5b2f00a83c21bb2e [1,2,0,0,0,0|0,0,0]=3 21087 B10R0.55 CC[C@H](C)COCCC(F)F 0eb541fdc611b314bdddd1b49a42830d [1,2,0,0,0,0|1,0,0]=4 21088 B10R0.55 CC[C@H](C)COCCN(C)C 4c7b74f4491ea8b291b3649d34b54adb [1,2,0,0,0,0|1,0,0]=4 21089 B10R0.55 CC[C@H](C)COCCS(=O)C 9f2d232e4131bd9922c7ecadf1877b7f [1,2,0,0,0,0|1,0,0]=4 21090 B10R0.55 CC[C@H](C)COCOC(C)C ed8a292e1fd3da6f014b319013f7dbd2 [1,2,0,0,0,0|1,0,0]=4 21091 B10R0.55 CC[C@H](C)NCCCC(C)C 277eca69bdc5777afcf3a389c13b6b9c [1,2,0,0,0,0|1,0,0]=4 21092 B10R0.55 CC[C@H](C)NCCCC(C)O c1478fa07d10fbedfa6e6b2e9a115cd3 [1,2,0,0,0,0|1,0,0]=4 21093 B10R0.55 CC[C@H](C)OCCCC(=O)C f6708d1229265ab3f7060e9a86ab051b [1,2,0,0,0,0|0,0,1]=4 21094 B10R0.55 CC[C@H](C)OCCCC(C)C f178e2b0f68146cb8a49bb25f8cda50f [1,2,0,0,0,0|0,0,0]=3 21095 B10R0.55 CC[C@H](C)OCCCN(C)C a941892496fb5043f9139065be19b695 [1,2,0,0,0,0|1,0,0]=4 21096 B10R0.55 CC[C@H](C)OCCOC(C)C 94599b6f4b7d878fd1ad8c9917ce87f8 [1,2,0,0,0,0|1,0,0]=4 21097 B10R0.55 CC[C@H](C)OCCSC(C)C 67eaf27998c74af10e8602e45641c221 [1,2,0,0,0,0|1,0,0]=4 21098 B10R0.55 COC(C)CCOCC(C)C 888228dd9b970eabf6432a0e7b5ba7e2 [1,2,0,0,0,0|1,0,0]=4 21099 B10R0.55 COC(C)COCCC(C)C e3253b191ae3880800eb38059adfffe4 [1,2,0,0,0,0|1,0,0]=4 21100 B10R0.55 CO[C@@H](C)COCCC(C)C 9c0fbadc4f385f1bc74084d3ac7c7693 [1,2,0,0,0,0|1,0,0]=4 21101 B10R0.55 CO[C@H](C)COCCC(C)C de5faa1b77960d563536b38112ddc709 [1,2,0,0,0,0|1,0,0]=4 21102 B10R0.75 CC(C)C(C)CCOCCF c65e15bdb22806a3220060893da1cac3 [1,2,0,0,0,0|1,0,0]=4 21103 B10R0.75 CC(C)C(C)CCOCCS 67662663e5d55a439c7ad03e233190a5 [1,2,0,0,0,0|1,0,0]=4 21104 B10R0.75 CC(C)C(C)COCCCF cf13e16bceb289abf8fff06d03e69c59 [1,2,0,0,0,0|1,0,0]=4 21105 B10R0.75 CC(C)C(C)COCCCS 420de6211d13a182b72d28255c6ca933 [1,2,0,0,0,0|1,0,0]=4 21106 B10R0.75 CC(C)C(C)OCCCCF c4e790cb52e759a7ebc526b5c32bf7fe [1,2,0,0,0,0|1,0,0]=4 21107 B10R0.75 CC(C)C(C)OCCCCS 4ec4d5fcb0abd2bc2511c02dfec2cb2c [1,2,0,0,0,0|1,0,0]=4 21108 B10R0.75 CC(C)[C@@H](C)OCCCCF 3ab9fef3ae4fd603f9856ce23894b1a6 [1,2,0,0,0,0|1,0,0]=4 21109 B10R0.75 CC(C)[C@H](C)OCCCCF eaa082b1162059c2e79f991513a5cb0e [1,2,0,0,0,0|1,0,0]=4 21110 B10R0.75 CC(S)C(C)OCCCCF 2ffa5b88a9a7e2317ad794a09077df33 [1,2,0,0,0,0|1,0,0]=4 21111 B10R0.75 CCCCCCN(C)C(C)C 7d74a2ec6f08415606de592883960a55 [1,2,0,0,0,0|1,0,0]=4 21112 B10R0.75 CCCCCNC(C)C(C)C 711b3faf4a8eed69d7ec0ed9cfbdb641 [1,2,0,0,0,0|1,0,0]=4 21113 B10R0.75 CCCCCNC(C)C(C)O c27ac4f7551f2465c8dc2fdd7d92793b [1,2,0,0,0,0|1,0,0]=4 21114 B10R0.75 CCCCCN[C@@H](C)C(C)C bcee177377f447e01d434ddb1a341608 [1,2,0,0,0,0|1,0,0]=4 21115 B10R0.75 CCCCCN[C@H](C)C(C)C da9d0bd6a10ec77b08b3301827a7cf0d [1,2,0,0,0,0|1,0,0]=4 21116 B10R0.75 CCCCCOC(C)C(=O)C ef6c55e18179136cda5b21537b82a891 [1,2,0,0,0,0|0,0,1]=4 21117 B10R0.75 CCCCCOC(C)C(C)C 6d3c8b4cf2f09ddf4d6735f537b6e422 [1,2,0,0,0,0|0,0,0]=3 21118 B10R0.75 CCCCCOC(C)C(C)S 5690682319493ed3e20ee09f2333fdf8 [1,2,0,0,0,0|0,0,0]=3 21119 B10R0.75 CCCCCOC(C)C(F)F de99211c58e1b6dde19cf94a0f67a73d [1,2,0,0,0,0|1,0,0]=4 21120 B10R0.75 CCCCCO[C@@H](C)C(C)C 17428fccc597ebe2e164d3cff6f3c049 [1,2,0,0,0,0|0,0,0]=3 21121 B10R0.75 CCCCCO[C@H](C)C(C)C fdcfd9a830d3edff1966266355625287 [1,2,0,0,0,0|0,0,0]=3 21122 B10R0.75 CCCCNCC(C)C(C)C e07c4132057b1dc4fccb2c76b9ef9cc0 [1,2,0,0,0,0|1,0,0]=4 21123 B10R0.75 CCCCNCC(O)C(C)C 2d692f157f7ed15045b29d6c1f98b249 [1,2,0,0,0,0|1,0,0]=4 21124 B10R0.75 CCCCOCC(=O)C(C)C e9ef953a4e368fd4c3e6fe8af934ea0e [1,2,0,0,0,0|0,0,1]=4 21125 B10R0.75 CCCCOCC(C)C(=O)C 1e7d6fb7fe33e71522227b4c1fe48840 [1,2,0,0,0,0|0,0,1]=4 21126 B10R0.75 CCCCOCC(C)C(C)C 0e4fab34eaadbc1d8f659bd8f38fa288 [1,2,0,0,0,0|0,0,0]=3 21127 B10R0.75 CCCCOCC(C)N(C)C a7a3d978d2e9f09a5069434b5cc740cb [1,2,0,0,0,0|1,0,0]=4 21128 B10R0.75 CCCCOCN(C)C(C)C ad20d76523c1ccf3edea02493c9290eb [1,2,0,0,0,0|1,0,0]=4 21129 B10R0.75 CCCCOC[C@@H](C)N(C)C 0ea01c9f271ff74c420f3909c7a11bfc [1,2,0,0,0,0|1,0,0]=4 21130 B10R0.75 CCCCOC[C@H](C)N(C)C 993f2f22a5b655b596a803a1707ed752 [1,2,0,0,0,0|1,0,0]=4 21131 B10R0.75 CCCOCCC(C)C(C)C a3688e04830714b7ec5ac5404f21f381 [1,2,0,0,0,0|0,0,0]=3 21132 B10R0.75 CCCOCCC(C)N(C)C 797707d092b566fc3fad8b1c7d1d41a5 [1,2,0,0,0,0|1,0,0]=4 21133 B10R0.75 CCCOCCN(C)C(C)C 497e84c8aafd886e66d9841b86735994 [1,2,0,0,0,0|1,0,0]=4 21134 B10R0.75 CCOCCOC(C)C(C)C 877c18fc80b9145cdc799fdea3f28eab [1,2,0,0,0,0|1,0,0]=4 21135 B10R0.75 CCOCCOC(C)C(C)S 9ac5daa4e0219726b3bcc642bf1c0813 [1,2,0,0,0,0|1,0,0]=4 21136 B10R0.75 CCOCCO[C@@H](C)C(C)C 4fce2bb491538eb0b4c984fbd549fd08 [1,2,0,0,0,0|1,0,0]=4 21137 B10R0.75 CCOCCO[C@H](C)C(C)C e07b09c2ab69a6085dbab6b21ad97c92 [1,2,0,0,0,0|1,0,0]=4 21138 B10R0.75 CCOCOCC(C)C(C)C c031e72256334da598797323cdeef9e4 [1,2,0,0,0,0|1,0,0]=4 21139 B10R0.75 CCSCCOC(C)C(C)C 893a8440f4f5729491c46f533f6fe892 [1,2,0,0,0,0|1,0,0]=4 21140 B10R0.75 CCSCCOC(C)C(C)S 4658ca0a9315b8feb5bd3784b0a87fed [1,2,0,0,0,0|1,0,0]=4 21141 B10R0.75 CCSCCO[C@@H](C)C(C)C b81bbeb0b7fe98c43c3906f8c4ba59f8 [1,2,0,0,0,0|1,0,0]=4 21142 B10R0.75 CCSCCO[C@H](C)C(C)C 51c10574a6b2b80ec623084fc5de710f [1,2,0,0,0,0|1,0,0]=4 21143 B10R0.75 COCCCOC(C)C(C)C 5b427a3b4ea300d96268e5f45c20a8f7 [1,2,0,0,0,0|1,0,0]=4 21144 B10R0.75 COCCCOC(C)C(C)S f35ff355fd417ab2132ee993f11ea9f3 [1,2,0,0,0,0|1,0,0]=4 21145 B10R0.75 COCCCO[C@@H](C)C(C)C 3db5bd8333f0d92d84383a4b17f2dc09 [1,2,0,0,0,0|1,0,0]=4 21146 B10R0.75 COCCCO[C@H](C)C(C)C b12dac5180eb616ac76a22900686dcef [1,2,0,0,0,0|1,0,0]=4 21147 B10R0.75 COCCOCC(C)C(C)C a3c1fc451f2727a8c77ec0a8f465a5f6 [1,2,0,0,0,0|1,0,0]=4 21148 B10R0.75 COCOCCC(C)C(C)C fc6e88ef060f7e726cc8a6ce6373b4b8 [1,2,0,0,0,0|1,0,0]=4 21149 B10R0.75 CSCCCOC(C)C(C)C a951fd40921f9f8559af892f9b39d6d9 [1,2,0,0,0,0|1,0,0]=4 21150 B10R0.75 CSCCCOC(C)C(C)S 6debc6a08ac1154760a278eaaf5afc04 [1,2,0,0,0,0|1,0,0]=4 21151 B10R0.75 CSCCCO[C@@H](C)C(C)C 8b2570a8cebb0faae78c1dc0f75c9a9c [1,2,0,0,0,0|1,0,0]=4 21152 B10R0.75 CSCCCO[C@H](C)C(C)C 5ed44e5a4ce6567247a10fad8913442a [1,2,0,0,0,0|1,0,0]=4 21153 B10R0.75 CSCCOCC(C)C(C)C a6fd6afd915694b47e1fbe20143b4d27 [1,2,0,0,0,0|1,0,0]=4 21154 B10R0.75 CSCOCCC(C)C(C)C 48a207acbc1069d915c7594573576d4d [1,2,0,0,0,0|1,0,0]=4 21155 B10R0.78 C=C(C)COC(C)CCCC 692c7a1b9bc750f50e82860bdeba4de0 [1,2,0,0,0,0|0,0,1]=4 21156 B10R0.78 C=C(C)CO[C@@H](C)CCCC c5fbd67f0437c11b4f610c50ed1faf17 [1,2,0,0,0,0|0,0,1]=4 21157 B10R0.78 C=C(C)CO[C@H](C)CCCC ddb31cd54f90e0a80d0801b61c2986ef [1,2,0,0,0,0|0,0,1]=4 21158 B10R0.78 CC(C)CCC(C)OCCF 10bd8043a418863b7ad6db3069ef8609 [1,2,0,0,0,0|1,0,0]=4 21159 B10R0.78 CC(C)CCC(C)OCCS 82b1df47d073fa131394561c1ad94945 [1,2,0,0,0,0|1,0,0]=4 21160 B10R0.78 CCCCC(C)COC(C)C 67f8514f01f7fbb7a0a446b46670061e [1,2,0,0,0,0|1,0,0]=4 21161 B10R0.78 CCCCC(C)NCC(C)C 9e0dedf32a81d389575205a9b179f87f [1,2,0,0,0,0|1,0,0]=4 21162 B10R0.78 CCCCC(C)NCC(C)O daaef59c8c728262f7bec9551df73db8 [1,2,0,0,0,0|1,0,0]=4 21163 B10R0.78 CCCCC(C)NC[C@@H](C)O 111140a3ed4b98bf2d3f006b24db5770 [1,2,0,0,0,0|1,0,0]=4 21164 B10R0.78 CCCCC(C)NC[C@H](C)O 7f750cedced843726711185af6eda797 [1,2,0,0,0,0|1,0,0]=4 21165 B10R0.78 CCCCC(C)OCC(=O)C 1853e26f374aa2da1da8ca98875b6081 [1,2,0,0,0,0|0,0,1]=4 21166 B10R0.78 CCCCC(C)OCC(C)C 424a9ec68821a73c9abd043a56d36755 [1,2,0,0,0,0|0,0,0]=3 21167 B10R0.78 CCCCC(C)OCC(C)F ca810602a7bdba0b2b278dea4244cb73 [1,2,0,0,0,0|0,0,0]=3 21168 B10R0.78 CCCCC(C)OCC(C)S d1716fbaa66d92a54984b674eb4ea54d [1,2,0,0,0,0|0,0,0]=3 21169 B10R0.78 CCCCC(C)OCC(F)F 2b361b0d2150530982904b45edce0854 [1,2,0,0,0,0|1,0,0]=4 21170 B10R0.78 CCCCC(C)OCN(C)C 6f5b3f6f78de01fe5bf420116dcdaabf [1,2,0,0,0,0|1,0,0]=4 21171 B10R0.78 CCCCC(C)OC[C@@H](C)F 7ac2eeef51d26016295b9c17ad8407b9 [1,2,0,0,0,0|0,0,0]=3 21172 B10R0.78 CCCCC(C)OC[C@H](C)F ac7320502310b7fc2314b5fbe4095a83 [1,2,0,0,0,0|0,0,0]=3 21173 B10R0.78 CCCCC(O)CNC(C)C 25a28d02d3a2ba26b0c1c773bbea37cf [1,2,0,0,0,0|1,0,0]=4 21174 B10R0.78 CCCCN(C)CCC(C)C 59558951f9320de3004b6b01b8f8c318 [1,2,0,0,0,0|1,0,0]=4 21175 B10R0.78 CCCCN(C)CCC(C)O 611b91cf07d9ccbc0710226421f547db [1,2,0,0,0,0|1,0,0]=4 21176 B10R0.78 CCCC[C@@H](C)NCC(C)C bf69f1e55fc164e86ebf9bf427da0e80 [1,2,0,0,0,0|1,0,0]=4 21177 B10R0.78 CCCC[C@@H](C)NCC(C)O 0e82a5e6f7e7bec4164fd9bfdbd7fe3b [1,2,0,0,0,0|1,0,0]=4 21178 B10R0.78 CCCC[C@@H](C)NC[C@@H](C)O 9aee46399f87e708a36b91ca94a42bbd [1,2,0,0,0,0|1,0,0]=4 21179 B10R0.78 CCCC[C@@H](C)NC[C@H](C)O 3bb605939f0e3ac2f736aa125a883d54 [1,2,0,0,0,0|1,0,0]=4 21180 B10R0.78 CCCC[C@@H](C)OCC(C)C 69854bf27cf9a7ee910ab3ea5de8aafa [1,2,0,0,0,0|0,0,0]=3 21181 B10R0.78 CCCC[C@@H](C)OCC(F)F 3e51da20f2cccf811b8b27d5b7d6dd9c [1,2,0,0,0,0|1,0,0]=4 21182 B10R0.78 CCCC[C@@H](C)OCN(C)C cee8461105eff2731a4429bc5a18ba94 [1,2,0,0,0,0|1,0,0]=4 21183 B10R0.78 CCCC[C@H](C)OCC(C)C 12b19b39acbd6ea3571522d462876754 [1,2,0,0,0,0|0,0,0]=3 21184 B10R0.78 CCCC[C@H](C)OCC(F)F f46cc6cef8e8653d04b2545c7e733be8 [1,2,0,0,0,0|1,0,0]=4 21185 B10R0.78 CCCC[C@H](C)OCN(C)C 62013e1aa8ac0df46dfc1d7ccc64b68f [1,2,0,0,0,0|1,0,0]=4 21186 B10R0.78 CCCNC(C)CCC(C)C 2832d7f1cc40f6f50f5c2bf44efd9c3a [1,2,0,0,0,0|1,0,0]=4 21187 B10R0.78 CCCOC(C)CCC(C)C 92fbf3922e6291cdd2053138c92ceec3 [1,2,0,0,0,0|0,0,0]=3 21188 B10R0.78 CCCOC(C)CCN(C)C 5597059b5a1a0e29b6ab22f764313f3d [1,2,0,0,0,0|1,0,0]=4 21189 B10R0.78 CCCOC(C)COC(C)C d2a804d9385827e558f9c5ef758b20ff [1,2,0,0,0,0|1,0,0]=4 21190 B10R0.78 CCCO[C@@H](C)COC(C)C 1ecd0c6be1850b0c5db77928ccc8e505 [1,2,0,0,0,0|1,0,0]=4 21191 B10R0.78 CCOCC(C)CCC(C)C 356f8db3298cc0a5995fadf987a44be7 [1,2,0,0,0,0|1,0,0]=4 21192 B10R0.78 CCOCC(C)OCC(C)C fb6f6843e1057eafafd89643ba023124 [1,2,0,0,0,0|1,0,0]=4 21193 B10R0.78 COCCC(C)OCC(C)C 52ce5c9ebc700bd2f056db1b6268a5fd [1,2,0,0,0,0|1,0,0]=4 21194 B10R0.78 COCOC(C)CCC(C)C 6b6f4b172794fa8856c50c9cb69af4c0 [1,2,0,0,0,0|1,0,0]=4 21195 B10R0.78 CSCCC(C)OCC(C)C 338a5a6a2c8ffcd5f6257ab8d2579d2e [1,2,0,0,0,0|1,0,0]=4 21196 B10R0.78 CSCOC(C)CCC(C)C 300622243c6bfdd2734a6cd2f69ff3b4 [1,2,0,0,0,0|1,0,0]=4 21197 B10R0.97 C=C(C)CCCOCC(C)C 34112f183a178f8706d778d5c62631f6 [1,2,0,0,0,0|0,0,1]=4 21198 B10R0.97 C=C(C)CCCOCC(C)F a20251d58d01e5a2fbe26543c468cfd4 [1,2,0,0,0,0|0,0,1]=4 21199 B10R0.97 C=C(C)CCCOCC(C)S 958f731fff0e2c1ed08a5adb01de11d8 [1,2,0,0,0,0|0,0,1]=4 21200 B10R0.97 C=C(C)CCCOC[C@@H](C)F e6bddcb0b5b3e5e8802401e4cec94019 [1,2,0,0,0,0|0,0,1]=4 21201 B10R0.97 C=C(C)CCCOC[C@H](C)F 404093b0e31d4bf2924174219666e0e1 [1,2,0,0,0,0|0,0,1]=4 21202 B10R0.97 C=C(C)CCOCCC(C)C 9ef848ff7c2adcfa89643ef9288d6722 [1,2,0,0,0,0|0,0,1]=4 21203 B10R0.97 C=C(C)COCCCC(C)C 8366a4175228b71b5156d0328a743521 [1,2,0,0,0,0|0,0,1]=4 21204 B10R0.97 CC(=O)CCCOCC(C)C b1009e81425a6696c191de687864c929 [1,2,0,0,0,0|0,0,1]=4 21205 B10R0.97 CC(=O)CCCOCC(C)F a04f1efd598969901bda18001e418bd6 [1,2,0,0,0,0|0,0,1]=4 21206 B10R0.97 CC(=O)CCCOCC(C)S 49650a3a3b43d29d9d0dffef63039060 [1,2,0,0,0,0|0,0,1]=4 21207 B10R0.97 CC(=O)CCCOC[C@@H](C)F 0f2f82193430abc5c21e3e1cebc8adbb [1,2,0,0,0,0|0,0,1]=4 21208 B10R0.97 CC(=O)CCCOC[C@H](C)F 7070d2984c29be86f487110f8fa6e6b7 [1,2,0,0,0,0|0,0,1]=4 21209 B10R0.97 CC(=O)CCOCCC(C)C c9c39e705ea35ecfc05987554ddc1dcf [1,2,0,0,0,0|0,0,1]=4 21210 B10R0.97 CC(=O)COCCCC(C)C beb7c1e583ddc432986e64bf98ccd874 [1,2,0,0,0,0|0,0,1]=4 21211 B10R0.97 CC(C)CCCCOC(C)C 157d2c3af2100b731c8bc0b6a946708b [1,2,0,0,0,0|1,0,0]=4 21212 B10R0.97 CC(C)CCCNCC(C)C 048cd8990230d56daff96aa63aeb9900 [1,2,0,0,0,0|1,0,0]=4 21213 B10R0.97 CC(C)CCCNCC(C)O 47cb7766edcd2c5facf77914d8239a22 [1,2,0,0,0,0|1,0,0]=4 21214 B10R0.97 CC(C)CCCNC[C@@H](C)O 7acacdcdf0d4ef0b6b82fae22c2ae397 [1,2,0,0,0,0|1,0,0]=4 21215 B10R0.97 CC(C)CCCNC[C@H](C)O 99485c59b33b30f340da075aaea6f401 [1,2,0,0,0,0|1,0,0]=4 21216 B10R0.97 CC(C)CCCOCC(C)C 0b7edf62078d04e330129035b8e7fad3 [1,2,0,0,0,0|0,0,0]=3 21217 B10R0.97 CC(C)CCCOCC(C)F 8f33aee3e85a2ae399b081964a97dbe1 [1,2,0,0,0,0|0,0,0]=3 21218 B10R0.97 CC(C)CCCOCC(C)S 19fa299321ddeeb727853112e4a109f6 [1,2,0,0,0,0|0,0,0]=3 21219 B10R0.97 CC(C)CCCOCC(F)F 15b35ce6090ee59c3beffcd372b46bb8 [1,2,0,0,0,0|1,0,0]=4 21220 B10R0.97 CC(C)CCCOCN(C)C f8bee5d95a629df02f039a75edf27ad1 [1,2,0,0,0,0|1,0,0]=4 21221 B10R0.97 CC(C)CCCOC[C@@H](C)F 7607806ad9df7b3f2bc8cfbb0cf285b7 [1,2,0,0,0,0|0,0,0]=3 21222 B10R0.97 CC(C)CCCOC[C@H](C)F 7715b39d53df0096a52d9f0595191ef9 [1,2,0,0,0,0|0,0,0]=3 21223 B10R0.97 CC(C)CCNCCC(C)C a05ec9aabaa41c9b701694321bf78d9e [1,2,0,0,0,0|1,0,0]=4 21224 B10R0.97 CC(C)CCNCCC(C)O 34fcec0ca110cc0e84744342fd4628b3 [1,2,0,0,0,0|1,0,0]=4 21225 B10R0.97 CC(C)CCNCC[C@@H](C)O b602b9ffb5960c19b4e3f32687c1c8ff [1,2,0,0,0,0|1,0,0]=4 21226 B10R0.97 CC(C)CCNCC[C@H](C)O ccfe2f8c8facf2433ba466b9ecd28169 [1,2,0,0,0,0|1,0,0]=4 21227 B10R0.97 CC(C)CCOCCC(C)C 6f4531b0906febc001dd614203b46ef2 [1,2,0,0,0,0|0,0,0]=3 21228 B10R0.97 CC(C)CCOCCC(F)F 65f6cdcffa9a5b83a97984a63efcb3e3 [1,2,0,0,0,0|1,0,0]=4 21229 B10R0.97 CC(C)CCOCCN(C)C 71977f4b25be90f879066e46c3ce8795 [1,2,0,0,0,0|1,0,0]=4 21230 B10R0.97 CC(C)CCOCCS(=O)C 131b27d446716b2e45b9860b1de4db16 [1,2,0,0,0,0|1,0,0]=4 21231 B10R0.97 CC(C)CCOCOC(C)C d9d3bfcb1aa116649d9e48d3fe938744 [1,2,0,0,0,0|1,0,0]=4 21232 B10R0.97 CC(C)CNCCCC(C)O 0ead346042b4fc90a0b631892b62ff8a [1,2,0,0,0,0|1,0,0]=4 21233 B10R0.97 CC(C)COCCCN(C)C 35f6bde50602910d5601f84248cbdd30 [1,2,0,0,0,0|1,0,0]=4 21234 B10R0.97 CC(C)COCCOC(C)C e7138d91397e5e3595bdadb59fb72be2 [1,2,0,0,0,0|1,0,0]=4 21235 B10R0.97 CC(C)COCCSC(C)C eacc94bc18af72abaa6a1f3404679fa5 [1,2,0,0,0,0|1,0,0]=4 21236 B10R0.97 CC(C)OCCOC[C@@H](C)F 6c0309bcc07f2892d4e9c4f36900969c [1,2,0,0,0,0|1,0,0]=4 21237 B10R0.97 CC(C)OCCOC[C@H](C)F c2e534c4033932334007cd02b00e9fa7 [1,2,0,0,0,0|1,0,0]=4 21238 B10R0.97 CC(C)SCCOC[C@@H](C)F 9599ceb42f8bb3115381028c56670ec4 [1,2,0,0,0,0|1,0,0]=4 21239 B10R0.97 CC(C)SCCOC[C@H](C)F 6a5e8c91c8b1de46b7470c6392d4256b [1,2,0,0,0,0|1,0,0]=4 21240 B10R0.97 CC(F)COCCCN(C)C af9421966c0d05cfb5cb17bfb991f03a [1,2,0,0,0,0|1,0,0]=4 21241 B10R0.97 CC(F)COCCOC(C)C cf2b9f8e695dc314e5eab9cdde207bcc [1,2,0,0,0,0|1,0,0]=4 21242 B10R0.97 CC(F)COCCSC(C)C 7bb46b04254ef07d33651a35ccfcee69 [1,2,0,0,0,0|1,0,0]=4 21243 B10R0.97 CC(O)CCCNCC(C)O 11d6199de225a655b4c5d8b0de0c86f2 [1,2,0,0,0,0|1,0,0]=4 21244 B10R0.97 CC(O)CCCNC[C@@H](C)O 079374ef56d2f58696c66336c075202c [1,2,0,0,0,0|1,0,0]=4 21245 B10R0.97 CC(O)CCCNC[C@H](C)O 955a0111582b4a59fbef6bf73615108b [1,2,0,0,0,0|1,0,0]=4 21246 B10R0.97 CC(O)CCNCCC(C)O 1b672ea211c2fbece63609827af3b5bf [1,2,0,0,0,0|1,0,0]=4 21247 B10R0.97 CC(O)CCNCC[C@@H](C)O e153c5926d210190a61da0b0b1cc0b1c [1,2,0,0,0,0|1,0,0]=4 21248 B10R0.97 CC(O)CCNCC[C@H](C)O 72ba64c6f675fc0b7cc6e1ac74e2d769 [1,2,0,0,0,0|1,0,0]=4 21249 B10R0.97 CC(S)COCCCN(C)C 1090fe6f8a14af28c2f251c43e342a14 [1,2,0,0,0,0|1,0,0]=4 21250 B10R0.97 CC(S)COCCOC(C)C cfcf27172ce55acd9db7175d49824b82 [1,2,0,0,0,0|1,0,0]=4 21251 B10R0.97 CC(S)COCCSC(C)C fd741cd3ddd0de26c9897c0fa9b43f37 [1,2,0,0,0,0|1,0,0]=4 21252 B10R0.97 C[C@@H](F)COCCCN(C)C 53cc82827f27adc5b8334e051c0fc92d [1,2,0,0,0,0|1,0,0]=4 21253 B10R0.97 C[C@H](F)COCCCN(C)C 25c02545d25efcc9f5fa5ba28a9e5c88 [1,2,0,0,0,0|1,0,0]=4 21254 B10R0.2 CCCC(=S)OC(C)CCC a1e27c222b99617f74081c2514499359 [1,2,0,0,0,0|0,0,1]=4 21255 B10R0.2 CCCC(C)CC(C)OCC 1f4dcda5991606b58ae0cdcd9a219476 [1,2,0,0,0,0|1,0,0]=4 21256 B10R0.2 CCCC(C)CN(C)CCC 203d548ebbc3c00597efaf2ef0ec012f [1,2,0,0,0,0|1,0,0]=4 21257 B10R0.2 CCCC(C)NC(C)CCC d656272f4be9ba5327621a7336b3f455 [1,2,0,0,0,0|1,0,0]=4 21258 B10R0.2 CCCC(C)N[C@@H](C)CCC b4fbf30d06964d82715e77857b022043 [1,2,0,0,0,0|1,0,0]=4 21259 B10R0.2 CCCC(C)OC(C)CCC e6ec8d46eb9bf5911ec844cefe4f2f0f [1,2,0,0,0,0|0,0,0]=3 21260 B10R0.2 CCCC(C)OC(C)COC 76b3aeaa4409a81f1d4ac5c43f17b9fe [1,2,0,0,0,0|1,0,0]=4 21261 B10R0.2 CCCC(C)OC(C)CSC 4831337f99786b75a5b6b219795a2b50 [1,2,0,0,0,0|1,0,0]=4 21262 B10R0.2 CCCC(C)O[C@@H](C)CCC e5a8750ed6143b0892f00961458f282a [1,2,0,0,0,0|0,0,0]=3 21263 B10R0.2 CCCC(C)O[C@@H](C)COC 86a3863f0db8fd2329589d63d602a7fd [1,2,0,0,0,0|1,0,0]=4 21264 B10R0.2 CCCC(C)O[C@H](C)CCC 110c475fa89ee054a610c24ae05e9130 [1,2,0,0,0,0|0,0,0]=3 21265 B10R0.2 CCCC(C)O[C@H](C)COC 6ed2afef96caa389ffe5ba9de985f3c1 [1,2,0,0,0,0|1,0,0]=4 21266 B10R0.2 CCC[C@@H](C)OC(C)COC 5e1e95b1d76a0eaa90690e343d60e527 [1,2,0,0,0,0|1,0,0]=4 21267 B10R0.2 CCC[C@H](C)OC(C)COC 493531e412828e7db383d3accf40dd6a [1,2,0,0,0,0|1,0,0]=4 21268 B10R0.19 CCCCC(C)N(C)CCC 3dd555de828073303328b989478847b5 [1,2,0,0,0,0|1,0,0]=4 21269 B10R0.19 CCCCN(C)C(C)CCC 114ca92437b44d7b02db96ae73b58f46 [1,2,0,0,0,0|1,0,0]=4 21270 B10R0.24 C#CC(CCC)OCCCC 23500774d38d364371d1497dd663b850 [1,2,0,0,0,0|0,0,0]=3 21271 B10R0.24 C#CC(CCC)OCCCF db19bd12f89fbc6c45a32c3861cf5cc4 [1,2,0,0,0,0|1,0,0]=4 21272 B10R0.24 C#CC(CCC)OCCCS 3c1165f4247f46662687cd7cbf73773c [1,2,0,0,0,0|1,0,0]=4 21273 B10R0.24 C#CC(CCC)OCCOC f51372fc8285d2952840e74a47c436da [1,2,0,0,0,0|1,0,0]=4 21274 B10R0.24 C#CC(CCC)OCCSC 82cb06d5036e9715d0c9fb8e62cf66dc [1,2,0,0,0,0|1,0,0]=4 21275 B10R0.24 C#CC(CCC)OCOCC bcfb13fa8982db236db8da702abf2c49 [1,2,0,0,0,0|1,0,0]=4 21276 B10R0.24 C#CC(CCCCC)OCC 90058fe546fc9404f4e240cfaf3f05cf [1,2,0,0,0,0|1,0,0]=4 21277 B10R0.24 C#C[C@H](CCCCC)OCC cd21c033028f0cdb6396d49acdb07a59 [1,2,0,0,0,0|1,0,0]=4 21278 B10R0.24 C=CC(CCC)OCCCC 69ea78e3fe0936af58dac88120ef5c7b [1,2,0,0,0,0|0,0,0]=3 21279 B10R0.24 C=CC(CCC)OCCCF de5d92dbdd21cc551fa716efc8ffb28b [1,2,0,0,0,0|1,0,0]=4 21280 B10R0.24 C=CC(CCC)OCCCS 85d3b65596e9ac8a0194c40eb53b5b42 [1,2,0,0,0,0|1,0,0]=4 21281 B10R0.24 C=CC(CCC)OCCOC c4eee51b7f3362791c48a49e82866759 [1,2,0,0,0,0|1,0,0]=4 21282 B10R0.24 C=CC(CCC)OCCSC ac3c76ff60d2774c0fe1f9284b29bc88 [1,2,0,0,0,0|1,0,0]=4 21283 B10R0.24 C=CC(CCC)OCOCC 862a28844b70f58b1cb02104aa63b5e4 [1,2,0,0,0,0|1,0,0]=4 21284 B10R0.24 C=CC(CCCCC)OCC 6d5704efc3b1195bb916339612770471 [1,2,0,0,0,0|1,0,0]=4 21285 B10R0.24 C=C[C@H](CCCCC)OCC 3a4d862c38cdc003a94c27a4e7b8df7f [1,2,0,0,0,0|1,0,0]=4 21286 B10R0.24 CCCC(C#N)OCCCF 3c743cc6f78e69ee590b631d4ff6971b [1,2,0,0,0,0|1,0,0]=4 21287 B10R0.24 CCCC(C#N)OCCCS d1ae68ea8236bdf960adfdafc68641af [1,2,0,0,0,0|1,0,0]=4 21288 B10R0.24 CCCC(C#N)OCCOC bc3b6bae5e732d74bba4111c2e2e617f [1,2,0,0,0,0|1,0,0]=4 21289 B10R0.24 CCCC(C#N)OCCSC bce321ff87a5200ab1317d38d2fdce43 [1,2,0,0,0,0|1,0,0]=4 21290 B10R0.24 CCCC(C#N)OCOCC 399068fb9e5c87a19edaa696f10e5046 [1,2,0,0,0,0|1,0,0]=4 21291 B10R0.24 CCCC(CC)COCCF d9904be281bb51f8fcb06017d0a290d6 [1,2,0,0,0,0|1,0,0]=4 21292 B10R0.24 CCCC(CC)COCCS 41aa6f11279db184a71719dd1b3313eb [1,2,0,0,0,0|1,0,0]=4 21293 B10R0.24 CCCC(CC)COCOC 8c11f370c518d7292b62627bfc1b8ae4 [1,2,0,0,0,0|1,0,0]=4 21294 B10R0.24 CCCC(CC)COCSC 6dd39d7d11af89d0d008a90b5f83ebcf [1,2,0,0,0,0|1,0,0]=4 21295 B10R0.24 CCCC(CC)OCCCF fa902303c3961c4a514822a8b6081dde [1,2,0,0,0,0|1,0,0]=4 21296 B10R0.24 CCCC(CC)OCCCS 60a4901698104487b8c1369a56fc33c3 [1,2,0,0,0,0|1,0,0]=4 21297 B10R0.24 CCCC(CC)OCCOC 6f853093fdd5557052b3e1caf46870f8 [1,2,0,0,0,0|1,0,0]=4 21298 B10R0.24 CCCC(CC)OCCSC 7fdcc69677673579e3a9b0c746889c54 [1,2,0,0,0,0|1,0,0]=4 21299 B10R0.24 CCCC(CC)OCOCC f996b405f18985ec2e61ed372de03e6d [1,2,0,0,0,0|1,0,0]=4 21300 B10R0.24 CCCC(CCOCC)SC 5fce3351dcf1dd699dc28600de46f903 [1,2,0,0,0,0|1,0,0]=4 21301 B10R0.24 CCCCCC(CC)OCC f1e5ecf57e6b559d8bd03908dd3f1294 [1,2,0,0,0,0|1,0,0]=4 21302 B10R0.24 CCCCCN(C=O)CCC 8646abf1faa254eafc312659290c903a [1,2,0,0,0,0|1,0,0]=4 21303 B10R0.24 CCCCCN(CC)CCC f4575dfb52731309a5e57b12315cb064 [1,2,0,0,0,0|1,0,0]=4 21304 B10R0.24 CCCCCN(CF)CCC c591c1c332e83e44ca21bca58f9fd128 [1,2,0,0,0,0|1,0,0]=4 21305 B10R0.24 CCCCCN(CO)CCC 3a4cd50340d217539e7062bbb02c7f9a [1,2,0,0,0,0|1,0,0]=4 21306 B10R0.24 CCCCC[C@H](CC)OCC 40180de9fd9da42585f0165bff867107 [1,2,0,0,0,0|1,0,0]=4 21307 B10R0.24 CCCCNC(CC)CCC ed05c4384a15381fe88f3d26b3376572 [1,2,0,0,0,0|1,0,0]=4 21308 B10R0.24 CCCCNC(CO)CCC 8a81b0f7840a35d34d3f0fd44cd4e86b [1,2,0,0,0,0|1,0,0]=4 21309 B10R0.24 CCCCN[C@@H](CO)CCC 5744a4828a4f5fe00553b100bbeee4e2 [1,2,0,0,0,0|1,0,0]=4 21310 B10R0.24 CCCCN[C@H](CO)CCC b68f2ad01a907bd52426b43e5284b03d [1,2,0,0,0,0|1,0,0]=4 21311 B10R0.24 CCCCOC(C#N)CCC db11ccbb3b62ec8b5907f34008a10bc2 [1,2,0,0,0,0|0,0,0]=3 21312 B10R0.24 CCCCOC(CBr)CCBr c2f4b7e3e6bd36c2dfbd1feb803f7452 [1,2,0,0,0,0|1,0,0]=4 21313 B10R0.24 CCCCOC(CC)CCC 5a3345c3fdcca9a094cc115eabb5cbe3 [1,2,0,0,0,0|0,0,0]=3 21314 B10R0.24 CCCCOC(CC)COC ed61ca8146d809c61ec38e7ad86d6fa8 [1,2,0,0,0,0|1,0,0]=4 21315 B10R0.24 CCCCOC(CC)CSC 2ae6f77f5e93b15c6ea1a713525b5c4a [1,2,0,0,0,0|1,0,0]=4 21316 B10R0.24 CCCCOC(CCl)CCCl 8f142823cd6819bac0cd4fc1a1dc3314 [1,2,0,0,0,0|1,0,0]=4 21317 B10R0.24 CCCCO[C@@H](CO)CCO 9edfce3a0bf41901e4b83c7ec21b174f [1,2,0,0,0,0|1,0,0]=4 21318 B10R0.24 CCCCO[C@H](CC)CCC a393df8aa8abbe82bcb4c3927372605f [1,2,0,0,0,0|0,0,0]=3 21319 B10R0.24 CCCOCC(CC)CCC 867870a6cc4bcebcf95a7d9dd0253964 [1,2,0,0,0,0|0,0,0]=3 21320 B10R0.24 CCCOCC(CC)OCC 8066c8c754614fdb8f0636686e665743 [1,2,0,0,0,0|1,0,0]=4 21321 B10R0.24 CCC[C@@H](CC)OCCCF a1dcbe707037c188db67cd7c9d4036f4 [1,2,0,0,0,0|1,0,0]=4 21322 B10R0.24 CCC[C@@H](CC)OCCCS 51ac5173b12a5e907aa4103511c3381d [1,2,0,0,0,0|1,0,0]=4 21323 B10R0.24 CCC[C@@H](CC)OCCOC 57ddf8e2c701c3c3aeb21e77e9f18a23 [1,2,0,0,0,0|1,0,0]=4 21324 B10R0.24 CCC[C@@H](CC)OCCSC ea4d9851ab346fcfdcedf9795bf80fb6 [1,2,0,0,0,0|1,0,0]=4 21325 B10R0.24 CCC[C@@H](CC)OCOCC 74c4c6a09f1ae0ccfc0c5994a21a463b [1,2,0,0,0,0|1,0,0]=4 21326 B10R0.83 CCC(C)C(C)OCCCF 902f61c51a6804a5325aab2b6d313881 [1,2,0,0,0,0|1,0,0]=4 21327 B10R0.83 CCC(C)C(C)OCCCS 138cd42217d7b4a3da62908c32e35d7d [1,2,0,0,0,0|1,0,0]=4 21328 B10R0.83 CCC(C)C(C)OCCOC 6dbe93428cf083fe0aa231f54b775a7a [1,2,0,0,0,0|1,0,0]=4 21329 B10R0.83 CCC(C)C(C)OCCSC b00b8d80a6276ce616621ff96cc75560 [1,2,0,0,0,0|1,0,0]=4 21330 B10R0.83 CCC(S)C(C)COCCF dd9b65673c7ca6853d96d075e4a8a052 [1,2,0,0,0,0|1,0,0]=4 21331 B10R0.83 CCC(S)C(C)COCCS e60a708cf2e37523e62362c4e1fcdf08 [1,2,0,0,0,0|1,0,0]=4 21332 B10R0.83 CCC(S)C(C)COCOC 416892c83def4e349e9bf77511c85d96 [1,2,0,0,0,0|1,0,0]=4 21333 B10R0.83 CCC(S)C(C)COCSC cdec2b457e817751dd6d58d5468530f9 [1,2,0,0,0,0|1,0,0]=4 21334 B10R0.83 CCCCCC(C)N(C)CC 26a7fccd2f34a7d0ceae1016dcb6ae4f [1,2,0,0,0,0|1,0,0]=4 21335 B10R0.83 CCCCCN(C)C(C)CC 7a2678ea826902adc6ed5ab4c6ffe7be [1,2,0,0,0,0|1,0,0]=4 21336 B10R0.83 CCCCC[C@H](C)N(C)CC 91c09ca52aab4d37afa3a34f70b81568 [1,2,0,0,0,0|1,0,0]=4 21337 B10R0.83 CCCCNC(C)C(C)CC cd42b3ff946665709f3cc118a5d08570 [1,2,0,0,0,0|1,0,0]=4 21338 B10R0.83 CCCCOC(C)C(=O)CC 6b72afd5b0a419f5df66b8ed25e56ddc [1,2,0,0,0,0|0,0,1]=4 21339 B10R0.83 CCCCOC(C)C(C)CC 052825037807bf416b1248eb7bd312bd [1,2,0,0,0,0|0,0,0]=3 21340 B10R0.83 CCCCOC(C)C(C)OC 1e7d0bac271f53258f7b34f1487501b5 [1,2,0,0,0,0|1,0,0]=4 21341 B10R0.83 CCCOCC(=O)C(C)CC be769a4148e4c3e25a48685acf6e03de [1,2,0,0,0,0|0,0,1]=4 21342 B10R0.83 CCCOCC(C)C(S)CC 97d9e72cbde6fc9db4326e2e9c2169d5 [1,2,0,0,0,0|0,0,0]=3 21343 B10R0.83 CCCOCC(C)N(C)CC 1ca57180434ccae7891b737941b5559d [1,2,0,0,0,0|1,0,0]=4 21344 B10R0.83 CCCOC[C@@H](C)N(C)CC f0993c7169f8849ae75aecd7c115b755 [1,2,0,0,0,0|1,0,0]=4 21345 B10R0.83 CCCOC[C@H](C)N(C)CC 8f64d053b70e02b0511fc96589a9d95c [1,2,0,0,0,0|1,0,0]=4 21346 B10R0.83 CCOCOC(C)C(C)CC b01c3d7dc219e9c6e1e59c3a4781a04a [1,2,0,0,0,0|1,0,0]=4 21347 B10R0.108 C=C(CC)COC(C)CCC 6e3b056a3f68564c2a024af7de291456 [1,2,0,0,0,0|0,0,1]=4 21348 B10R0.108 C=C(CC)CO[C@@H](C)CCC c892953e520b0cf6d2296dae786e96e4 [1,2,0,0,0,0|0,0,1]=4 21349 B10R0.108 C=C(CC)CO[C@H](C)CCC 54f0130440524f086cb3b29c5ce8e4da [1,2,0,0,0,0|0,0,1]=4 21350 B10R0.108 CCC(C)COC(C)COC 0646ee375741d48b19e919bfe458c3ee [1,2,0,0,0,0|1,0,0]=4 21351 B10R0.108 CCC(C)COC(C)CSC e7f58eccf07afbcad595bfede1553f6f [1,2,0,0,0,0|1,0,0]=4 21352 B10R0.108 CCC(C)CO[C@@H](C)COC e077e81c93c7f8662aa03b4ba484f3ae [1,2,0,0,0,0|1,0,0]=4 21353 B10R0.108 CCC(C)CO[C@H](C)COC 0a729044d009bb6073c76394eb457d0d [1,2,0,0,0,0|1,0,0]=4 21354 B10R0.108 CCC(C)OC[C@@H](O)CCO e33a3b16c420cb7b82f5eebe548ad591 [1,2,0,0,0,0|1,0,0]=4 21355 B10R0.108 CCCC(=O)COC(C)CC 1256581baab2cd6985d50630ae332d34 [1,2,0,0,0,0|0,0,1]=4 21356 B10R0.108 CCCC(=O)CO[C@@H](C)CC d5dc5c90cafeede78ef651f2739a6258 [1,2,0,0,0,0|0,0,1]=4 21357 B10R0.108 CCCC(=O)CO[C@H](C)CC 1bd012501e9168658d73d06f9bb542ff [1,2,0,0,0,0|0,0,1]=4 21358 B10R0.108 CCCC(=S)OCC(C)CC e16cb751e3d09d9ad5b0df3db569de2c [1,2,0,0,0,0|0,0,1]=4 21359 B10R0.108 CCCC(=S)OC[C@@H](C)CC 19d37b226cb00bbdb75e432dcb10b8d2 [1,2,0,0,0,0|0,0,1]=4 21360 B10R0.108 CCCC(=S)OC[C@H](C)CC 44ca62e53a524d9067426b0ec06152ea [1,2,0,0,0,0|0,0,1]=4 21361 B10R0.108 CCCC(C)CNC(C)CC e0f246f9fbde36c9ace0c4d56e0c727b [1,2,0,0,0,0|1,0,0]=4 21362 B10R0.108 CCCC(C)CN[C@@H](C)CC d4980aaaa06ebf8ff5d7f162bd3f2891 [1,2,0,0,0,0|1,0,0]=4 21363 B10R0.108 CCCC(C)CN[C@H](C)CC b33179404b98cdbd96c802d960bb8260 [1,2,0,0,0,0|1,0,0]=4 21364 B10R0.108 CCCC(C)COC(C)CC 6c2499ccbaeb041ba7e4d717bf84e2a0 [1,2,0,0,0,0|0,0,0]=3 21365 B10R0.108 CCCC(C)COC(C)CF dba60aa255d5052fad1b6658cd46d9f8 [1,2,0,0,0,0|1,0,0]=4 21366 B10R0.108 CCCC(C)COC(C)CS b18e2c8860a92427c211673713e5fc89 [1,2,0,0,0,0|1,0,0]=4 21367 B10R0.108 CCCC(C)CO[C@@H](C)CC a819a6a039eb04d1987b9b0a35e1d0ae [1,2,0,0,0,0|0,0,0]=3 21368 B10R0.108 CCCC(C)CO[C@H](C)CC 7fcf3bf3bb0af02290c79a629cb31773 [1,2,0,0,0,0|0,0,0]=3 21369 B10R0.108 CCCC(C)CO[C@H](C)CS 32e705585eb292260e7ddf6c7bc1cff8 [1,2,0,0,0,0|1,0,0]=4 21370 B10R0.108 CCCC(C)NCC(C)CC d25c8d03c9487751b9f07d60f85b6c92 [1,2,0,0,0,0|1,0,0]=4 21371 B10R0.108 CCCC(C)NCC(O)CC 22d9ea5c62095453ab28622b47323f1e [1,2,0,0,0,0|1,0,0]=4 21372 B10R0.108 CCCC(C)NC[C@@H](C)CC 209970deaa877a718780a80817555bf1 [1,2,0,0,0,0|1,0,0]=4 21373 B10R0.108 CCCC(C)NC[C@H](C)CC 725c36e7b891c64f1734c163bc04ea77 [1,2,0,0,0,0|1,0,0]=4 21374 B10R0.108 CCCC(C)NC[C@H](O)CC 2f6ee3852b5046fcb3ba1bc32909676d [1,2,0,0,0,0|1,0,0]=4 21375 B10R0.108 CCCC(C)OCC(=O)CC df9f71d675c7bef4a5faa721d5ee4a09 [1,2,0,0,0,0|0,0,1]=4 21376 B10R0.108 CCCC(C)OCC(Br)CBr 4850e0983585f56b7d63957ac5b6fe37 [1,2,0,0,0,0|1,0,0]=4 21377 B10R0.108 CCCC(C)OCC(C)CC e5093c89c1432d4a9155e79086c96b90 [1,2,0,0,0,0|0,0,0]=3 21378 B10R0.108 CCCC(C)OCC(C)OC bba6cd092f7d23f3b7ca16c65eef10d3 [1,2,0,0,0,0|1,0,0]=4 21379 B10R0.108 CCCC(C)OCC(Cl)CCl c4bda56f79ba1d52d3bb4a4b494f8e49 [1,2,0,0,0,0|1,0,0]=4 21380 B10R0.108 CCCC(C)OCC(O)CO 8dc72b54fdcf341b1374bc6b892fb602 [1,2,0,0,0,0|1,0,0]=4 21381 B10R0.108 CCCC(C)OCC(S)CS cee4cd18fa16366f13906610be3f8612 [1,2,0,0,0,0|1,0,0]=4 21382 B10R0.108 CCCC(C)OC[C@@H](C)CC 980c0b26db6bf70f2741ca1d3a165335 [1,2,0,0,0,0|0,0,0]=3 21383 B10R0.108 CCCC(C)OC[C@@H](C)OC 2cdbd0aa4a22e994e4ea0e8594a8c38c [1,2,0,0,0,0|1,0,0]=4 21384 B10R0.108 CCCC(C)OC[C@@H](O)CO a6fd2ea7e09674cf240399e1c07634d7 [1,2,0,0,0,0|1,0,0]=4 21385 B10R0.108 CCCC(C)OC[C@H](C)CC 4e28d4c4d380c41714d33e0ac3b70f94 [1,2,0,0,0,0|0,0,0]=3 21386 B10R0.108 CCCC(C)OC[C@H](C)OC 9314613aaf75350237735ba90e1f441a [1,2,0,0,0,0|1,0,0]=4 21387 B10R0.108 CCCC(C)OC[C@H](O)CO 6ef8cac7fa544129d5a39ac01b37eceb [1,2,0,0,0,0|1,0,0]=4 21388 B10R0.108 CCCC(O)CNC(C)CC 320a804997fc346ba8ecb2750fb90e84 [1,2,0,0,0,0|1,0,0]=4 21389 B10R0.108 CCCN(C)CCC(C)CC f5a96392838671fbcb0194b339187ea6 [1,2,0,0,0,0|1,0,0]=4 21390 B10R0.108 CCC[C@@H](C)OCC(=O)CC 43942a366aeae7c58f2c09b6f65d0c94 [1,2,0,0,0,0|0,0,1]=4 21391 B10R0.108 CCC[C@@H](C)OCC(C)CC 3ee25dc6150f736c1e3e271643b5c87e [1,2,0,0,0,0|0,0,0]=3 21392 B10R0.108 CCC[C@@H](C)OCC(C)OC ff472008647cf61130ad44db06751282 [1,2,0,0,0,0|1,0,0]=4 21393 B10R0.108 CCC[C@@H](C)OCC(O)CO 76cb847d9caf96e7b748b5c67ff36396 [1,2,0,0,0,0|1,0,0]=4 21394 B10R0.108 CCC[C@@H](C)OC[C@@H](C)CC fdcb8b65860830c130b999bcb0d32d2f [1,2,0,0,0,0|0,0,0]=3 21395 B10R0.108 CCC[C@@H](C)OC[C@@H](C)OC 37eb6cff59899597fb167889f2ad5232 [1,2,0,0,0,0|1,0,0]=4 21396 B10R0.108 CCC[C@@H](C)OC[C@@H](O)CO 099df7878babdfa26c1bb83ba9566e68 [1,2,0,0,0,0|1,0,0]=4 21397 B10R0.108 CCC[C@@H](C)OC[C@H](C)CC 2fffe216c57a18bcda16467753d64f9f [1,2,0,0,0,0|0,0,0]=3 21398 B10R0.108 CCC[C@@H](C)OC[C@H](C)OC 81f6019fa627891a347c4e2780a5ca99 [1,2,0,0,0,0|1,0,0]=4 21399 B10R0.108 CCC[C@@H](C)OC[C@H](O)CO 539970781b479fa71ba15be078c4c50d [1,2,0,0,0,0|1,0,0]=4 21400 B10R0.108 CCC[C@H](C)NCC(C)CC 72369dd51dc33b696f0322b05d752806 [1,2,0,0,0,0|1,0,0]=4 21401 B10R0.108 CCC[C@H](C)NCC(O)CC 16e4d581fdea7e17c5060b7b7b5a0733 [1,2,0,0,0,0|1,0,0]=4 21402 B10R0.108 CCC[C@H](C)NC[C@@H](C)CC 8eba466906b4aa33607bcc33f3c860f4 [1,2,0,0,0,0|1,0,0]=4 21403 B10R0.108 CCC[C@H](C)NC[C@H](C)CC 5034e94923ca62b66f56dea3bd39a78f [1,2,0,0,0,0|1,0,0]=4 21404 B10R0.108 CCC[C@H](C)OCC(=O)CC 4e0bd1f59f8ed3a7ca11e2eec973dff4 [1,2,0,0,0,0|0,0,1]=4 21405 B10R0.108 CCC[C@H](C)OCC(C)CC 23eaaebe326cebeada9fc66cd7cb418a [1,2,0,0,0,0|0,0,0]=3 21406 B10R0.108 CCC[C@H](C)OCC(C)OC a06f92b8565c0ad2b973a77cdd39c6e9 [1,2,0,0,0,0|1,0,0]=4 21407 B10R0.108 CCC[C@H](C)OCC(O)CO f71ca8dc6d5d341eb11f36ee1c2bdafe [1,2,0,0,0,0|1,0,0]=4 21408 B10R0.108 CCC[C@H](C)OC[C@@H](C)CC 9dc4471d597bb6f320fb2a0034e1c7be [1,2,0,0,0,0|0,0,0]=3 21409 B10R0.108 CCC[C@H](C)OC[C@@H](C)OC 7417420bc07a5ab0556013908f27d408 [1,2,0,0,0,0|1,0,0]=4 21410 B10R0.108 CCC[C@H](C)OC[C@@H](O)CO fe40073832c66242968c57cf43a19faa [1,2,0,0,0,0|1,0,0]=4 21411 B10R0.108 CCC[C@H](C)OC[C@H](C)CC 25aa255ed1fc427039484b8fb2d2e833 [1,2,0,0,0,0|0,0,0]=3 21412 B10R0.108 CCC[C@H](C)OC[C@H](C)OC 0f7f9b59d8da4184bd8f7fcf73bab055 [1,2,0,0,0,0|1,0,0]=4 21413 B10R0.108 CCC[C@H](C)OC[C@H](O)CO a3b3d9d60719707bc5b61e9c14d22b5a [1,2,0,0,0,0|1,0,0]=4 21414 B10R0.108 CCOC(C)CCC(C)CC a022098aac07521ba0782f55f38c17af [1,2,0,0,0,0|1,0,0]=4 21415 B10R0.108 CCOC(C)COC(C)CC 00f5d7ae8eda0b7b4db9101e25522b05 [1,2,0,0,0,0|1,0,0]=4 21416 B10R0.108 CC[C@@H](C)COC(C)COC 1dc4f7bf1bb9a89b035697bed9a81dd0 [1,2,0,0,0,0|1,0,0]=4 21417 B10R0.108 CC[C@@H](C)COC(C)CSC f3660434bca1711600b46deb4021e9fb [1,2,0,0,0,0|1,0,0]=4 21418 B10R0.108 CC[C@@H](C)CO[C@@H](C)COC d98c9d1d292d5d5e299b5d1caa58cfdf [1,2,0,0,0,0|1,0,0]=4 21419 B10R0.108 CC[C@@H](C)CO[C@H](C)COC c44de4a7d0a249950266567a0889e5d4 [1,2,0,0,0,0|1,0,0]=4 21420 B10R0.108 CC[C@@H](C)OC[C@@H](O)CCO 4b8f59cfdb83077dffef6c548f6552d2 [1,2,0,0,0,0|1,0,0]=4 21421 B10R0.108 CC[C@H](C)COC(C)COC f4532d127eec8588148f728297cb1b9d [1,2,0,0,0,0|1,0,0]=4 21422 B10R0.108 CC[C@H](C)COC(C)CSC cc1e5af1cfa9f3189fffd28600c504e5 [1,2,0,0,0,0|1,0,0]=4 21423 B10R0.108 CC[C@H](C)CO[C@@H](C)COC e77aad8fbb0b808eb94901560144a9e1 [1,2,0,0,0,0|1,0,0]=4 21424 B10R0.108 CC[C@H](C)CO[C@H](C)COC c31ad26e7318d87e868b7cbf89660295 [1,2,0,0,0,0|1,0,0]=4 21425 B10R0.108 CC[C@H](C)OC[C@@H](O)CCO bc1a90e77e19dad1ec858a8572ea6a17 [1,2,0,0,0,0|1,0,0]=4 21426 B10R0.156 CCCC(C)(S)CCOCC 0b5ff522cef196d12b0cc86ca0c16c60 [1,2,0,0,0,0|1,0,0]=4 21427 B10R0.156 CCCNCC(C)(O)CCC f3267c0a73bf7aaa6285defe240cf2c8 [1,2,0,0,0,0|1,0,0]=4 21428 B10R0.156 CCCOCC(C)(C)COC 6b2d4756c5d4f37a8d28447611163df7 [1,2,0,0,0,0|1,0,0]=4 21429 B10R0.156 CCCOCC(C)(C)OCC 5fc710390484b5e90c609a73cc0d242d [1,2,0,0,0,0|1,0,0]=4 21430 B10R0.16 C#CC(CCCC)OCCC 85b4e43a5d58cb71e6f759987b99c0c0 [1,2,0,0,0,0|0,0,0]=3 21431 B10R0.16 C#CC(CCCC)OCCF 72f1b5052b9682536ee40bba3224c483 [1,2,0,0,0,0|1,0,0]=4 21432 B10R0.16 C#CC(CCCC)OCCS 9927cf0f7ed216a958e4ee614db62493 [1,2,0,0,0,0|1,0,0]=4 21433 B10R0.16 C#CC(CCCC)OCOC b2a0a4b0eff664c37197738a56578ee4 [1,2,0,0,0,0|1,0,0]=4 21434 B10R0.16 C#CC(CCCC)OCSC 5fa974c3e175e1251411915b2913911e [1,2,0,0,0,0|1,0,0]=4 21435 B10R0.16 C=CC(CCCC)OCCC 0441f9cfc81e0c1f5e5544f7766b442c [1,2,0,0,0,0|0,0,0]=3 21436 B10R0.16 C=CC(CCCC)OCCF b440372faf6ac9ea3b621e852a327ffe [1,2,0,0,0,0|1,0,0]=4 21437 B10R0.16 C=CC(CCCC)OCCS 0ee32016c89603e2515998e2c213f06d [1,2,0,0,0,0|1,0,0]=4 21438 B10R0.16 C=CC(CCCC)OCOC e13791b37e821fa74aca0e05e39508d9 [1,2,0,0,0,0|1,0,0]=4 21439 B10R0.16 C=CC(CCCC)OCSC 0db09b58b057232600f004371c02a81a [1,2,0,0,0,0|1,0,0]=4 21440 B10R0.16 CCCCC(CC)CNCC 9b83e25af41fab978c961cf7313c68d0 [1,2,0,0,0,0|1,0,0]=4 21441 B10R0.16 CCCCC(CC)COCC 96439b8b6850b3b4c3007d1875ff17ae [1,2,0,0,0,0|1,0,0]=4 21442 B10R0.16 CCCCC(CC)NCCC 6df0184b58d8ff0cf7c23e048f6e6c5b [1,2,0,0,0,0|1,0,0]=4 21443 B10R0.16 CCCCC(CC)OCCC b3bc95738f3642c32c67c66055eecfb0 [1,2,0,0,0,0|0,0,0]=3 21444 B10R0.16 CCCCC(CC)OCCF d20511100fdf46342d0fc99a9f0b5e29 [1,2,0,0,0,0|1,0,0]=4 21445 B10R0.16 CCCCC(CC)OCCS 9e5175a52c15e041db3d646905eb2614 [1,2,0,0,0,0|1,0,0]=4 21446 B10R0.16 CCCCC(CC)OCOC 9d2490084f1dfe004f13f67729e00da3 [1,2,0,0,0,0|1,0,0]=4 21447 B10R0.16 CCCCC(CC)OCSC 884cdb0c6e7c841e592ec031c49d486f [1,2,0,0,0,0|1,0,0]=4 21448 B10R0.16 CCCCC(CO)NCCC 59482fecbc3b570bdc20386e2c0094be [1,2,0,0,0,0|1,0,0]=4 21449 B10R0.16 CCCCN(C=O)CCCC ea96c0b4503c73e427961c44193cc2a3 [1,2,0,0,0,0|1,0,0]=4 21450 B10R0.16 CCCCN(CC)CCCC a3217b82a22da247a2ef1470c6c04f0f [1,2,0,0,0,0|1,0,0]=4 21451 B10R0.16 CCCCN(CF)CCCC 44d9282aa47425e79317937d473b1664 [1,2,0,0,0,0|1,0,0]=4 21452 B10R0.16 CCCCN(CO)CCCC 81f7b84c2c271d9137da821199795769 [1,2,0,0,0,0|1,0,0]=4 21453 B10R0.16 CCCC[C@@H](CO)NCCC 88b3aa2fda5f7bf9cc1d583d0aa28008 [1,2,0,0,0,0|1,0,0]=4 21454 B10R0.16 CCCC[C@H](CO)NCCC ad79992f471eac3c7cd581c59ab587ca [1,2,0,0,0,0|1,0,0]=4 21455 B10R0.18 CCC(C)OC(C)CCOC 78eb43955b9e5654b9b7395241bc0a8e [1,2,0,0,0,0|1,0,0]=4 21456 B10R0.18 CCC(C)OC(C)CCSC 11358d86b33c6c3338ba8a49e470c9db [1,2,0,0,0,0|1,0,0]=4 21457 B10R0.18 CCCCC(C)NC(C)CC 83fa0eecfd6d83b48e5cb5acb24181fd [1,2,0,0,0,0|1,0,0]=4 21458 B10R0.18 CCCCC(C)N[C@@H](C)CC 4791b8204a310678868eae3e6afe73b9 [1,2,0,0,0,0|1,0,0]=4 21459 B10R0.18 CCCCC(C)N[C@H](C)CC bb5d7e1afabb2932d7f3ce9282d4f49c [1,2,0,0,0,0|1,0,0]=4 21460 B10R0.18 CCCCC(C)OC(C)CC 52fd5692cca2410ff5de3d647587d79f [1,2,0,0,0,0|0,0,0]=3 21461 B10R0.18 CCCCC(C)OC(C)CF 4f3a3d7da2e9f60341f60368a18bce3b [1,2,0,0,0,0|1,0,0]=4 21462 B10R0.18 CCCCC(C)OC(C)CS e45daf7417248a48e79905ad8341eacf [1,2,0,0,0,0|1,0,0]=4 21463 B10R0.18 CCCCC(C)O[C@@H](C)CC b672df34058a2af6caf19c03bd3eaf83 [1,2,0,0,0,0|0,0,0]=3 21464 B10R0.18 CCCCC(C)O[C@H](C)CC 702732c470493776839d713a357bb8f4 [1,2,0,0,0,0|0,0,0]=3 21465 B10R0.18 CCCCC(C)O[C@H](C)CS 5d9810892b00938275653fe3d61c7f51 [1,2,0,0,0,0|1,0,0]=4 21466 B10R0.18 CCCCN(C)CC(C)CC 805c445a1349c4ca984294e8f1e5df78 [1,2,0,0,0,0|1,0,0]=4 21467 B10R0.18 CCCCN(C)CC(O)CC 7df34eccd53c14825d792cccc0b4934f [1,2,0,0,0,0|1,0,0]=4 21468 B10R0.18 CCCCN(C)C[C@@H](C)CC 7a320cb18ee6435ec4f4fa0f9b476da4 [1,2,0,0,0,0|1,0,0]=4 21469 B10R0.18 CCCCN(C)C[C@H](C)CC 994b059ac119eb7301cd02f2c8b80c15 [1,2,0,0,0,0|1,0,0]=4 21470 B10R0.18 CCCC[C@@H](C)NC(C)CC 77d83548498d3c5891071dd11135111e [1,2,0,0,0,0|1,0,0]=4 21471 B10R0.18 CCCC[C@@H](C)OC(C)CC 720108f7d255cb2777492d9c3eb216ba [1,2,0,0,0,0|0,0,0]=3 21472 B10R0.18 CCCC[C@H](C)OC(C)CC 051a29645f9a60a791889505d35d2b86 [1,2,0,0,0,0|0,0,0]=3 21473 B10R0.18 CCCNC(C)CC(C)CC 991fc695e3e718a7973ae31a0e03b107 [1,2,0,0,0,0|1,0,0]=4 21474 B10R0.18 CCCOC(C)CC(C)OC 7796e7b21e9086bf2eb77f4a7f255bec [1,2,0,0,0,0|1,0,0]=4 21475 B10R0.18 CCOCC(C)OC(C)CC 2f282702222878ab6d987d8c257046d5 [1,2,0,0,0,0|1,0,0]=4 21476 B10R0.41 C#CC(CC)OCCCCC fa622c3413079eb4bb7e2397b37b3d2b [1,2,0,0,0,0|0,0,0]=3 21477 B10R0.41 C#CC(CC)OCCCCF 45a8b4d3db95f913058a549282af8212 [1,2,0,0,0,0|1,0,0]=4 21478 B10R0.41 C#CC(CC)OCCCOC 05a309e94548e2c2e22d9f2232a4c660 [1,2,0,0,0,0|1,0,0]=4 21479 B10R0.41 C#CC(CC)OCCCSC 5f3ea93f36d57c62d0c08a6b42b7f3ab [1,2,0,0,0,0|1,0,0]=4 21480 B10R0.41 C#CC(CC)OCCOCC 15e6f83a61c8c10e34d29e0ed71c0018 [1,2,0,0,0,0|1,0,0]=4 21481 B10R0.41 C#CC(CC)OCCSCC e5fbf253e9efe941e8a909fb34bb4cff [1,2,0,0,0,0|1,0,0]=4 21482 B10R0.41 C=CC(CC)OCCCCC 1840821ceed82cde6ae853a82292c428 [1,2,0,0,0,0|0,0,0]=3 21483 B10R0.41 C=CC(CC)OCCCCF de1349c36f20eac6d1a6054c05db7e67 [1,2,0,0,0,0|1,0,0]=4 21484 B10R0.41 C=CC(CC)OCCCOC 75ad1775336510752fe41a7952b398e6 [1,2,0,0,0,0|1,0,0]=4 21485 B10R0.41 C=CC(CC)OCCCSC 88170437e731497c4ea47ae5e852e0c9 [1,2,0,0,0,0|1,0,0]=4 21486 B10R0.41 C=CC(CC)OCCOCC a9fbd724b1c0de147f57f38e98772f4b [1,2,0,0,0,0|1,0,0]=4 21487 B10R0.41 C=CC(CC)OCCSCC 7d6bbbca231e0de31b821d6be4ebbb26 [1,2,0,0,0,0|1,0,0]=4 21488 B10R0.41 CCC(C#N)OCCCCF ecab2cefc3147db2ea5689a59d66d5d5 [1,2,0,0,0,0|1,0,0]=4 21489 B10R0.41 CCC(C#N)OCCCOC 2d984b40ed99ff0b7a57ac21f4491e8e [1,2,0,0,0,0|1,0,0]=4 21490 B10R0.41 CCC(C#N)OCCCSC 35097deed9dca18536d7f32f5f109249 [1,2,0,0,0,0|1,0,0]=4 21491 B10R0.41 CCC(C=O)OCCCCF f1f43e044b6f65472b53fcbffd1f871e [1,2,0,0,0,0|1,0,0]=4 21492 B10R0.41 CCC(C=O)OCCCCS 867c7f83c210081bbca6b22ddc15e882 [1,2,0,0,0,0|1,0,0]=4 21493 B10R0.41 CCC(C=O)OCCCOC 39e3494d9f0a0347aa12a490f4173df7 [1,2,0,0,0,0|1,0,0]=4 21494 B10R0.41 CCC(C=O)OCCCSC 13849281d4bb07175917d4a332652925 [1,2,0,0,0,0|1,0,0]=4 21495 B10R0.41 CCC(CC)COCCCF 0044b5d58b72760665e929cb6a3193c1 [1,2,0,0,0,0|1,0,0]=4 21496 B10R0.41 CCC(CC)COCCCS 700aaa6945ad595cd122f449be8d699f [1,2,0,0,0,0|1,0,0]=4 21497 B10R0.41 CCC(CC)COCCOC f482eda7bbe3a0fa32a7227361bbe07d [1,2,0,0,0,0|1,0,0]=4 21498 B10R0.41 CCC(CC)COCCSC 9159a69da9f285d6dc1e503f813e0209 [1,2,0,0,0,0|1,0,0]=4 21499 B10R0.41 CCC(CC)OCCCCF 30a9051d49e80ca0cfc7a4a8a4a35170 [1,2,0,0,0,0|1,0,0]=4 21500 B10R0.41 CCC(CC)OCCCCS c4145a1203dc7844cd98be2f499fcc4e [1,2,0,0,0,0|1,0,0]=4 21501 B10R0.41 CCC(CC)OCCCOC be862278444bcae6d2763f37cbef4606 [1,2,0,0,0,0|1,0,0]=4 21502 B10R0.41 CCC(CC)OCCCSC 14aa4d9c0f7e1cf19696b90914ace0bc [1,2,0,0,0,0|1,0,0]=4 21503 B10R0.41 CCC(COCCCF)OC e6f4612bb06a10d3b25ce823e20b1e3b [1,2,0,0,0,0|1,0,0]=4 21504 B10R0.41 CCC(COCCCS)OC b0ac3a37f99b5a6b8a2b01a6488669b0 [1,2,0,0,0,0|1,0,0]=4 21505 B10R0.41 CCC(COCCOC)OC 946531f1eb733d4b919ec5997ecaf729 [1,2,0,0,0,0|1,0,0]=4 21506 B10R0.41 CCC(COCCSC)OC 290b8f545fee9dd47bc69010d5c17cee [1,2,0,0,0,0|1,0,0]=4 21507 B10R0.41 CCCCCNC(C=O)CC 12d22b6718bb34daa837a86af61630b2 [1,2,0,0,0,0|1,0,0]=4 21508 B10R0.41 CCCCCNC(CC)CC d4d842a25fadfb2285c61193bd5fb392 [1,2,0,0,0,0|1,0,0]=4 21509 B10R0.41 CCCCCNC(CC)CO aad7fe7c80ebd7a292e0d2d4062281a7 [1,2,0,0,0,0|1,0,0]=4 21510 B10R0.41 CCCCCN[C@@H](CC)CO 8925548da08aa5334f98a8af80c96a23 [1,2,0,0,0,0|1,0,0]=4 21511 B10R0.41 CCCCCN[C@H](CC)CO 5dd68c69aa83ce0643d0f5217f32770d [1,2,0,0,0,0|1,0,0]=4 21512 B10R0.41 CCCCCOC(C#N)CC f0ac76ffd22c22c0285d5a547dce40b3 [1,2,0,0,0,0|0,0,0]=3 21513 B10R0.41 CCCCCOC(C=O)CC 868e7873b395a96668a3795dee2fa98a [1,2,0,0,0,0|0,0,0]=3 21514 B10R0.41 CCCCCOC(CBr)CBr 1d474e821d747ab0bf772ba70192ec6a [1,2,0,0,0,0|1,0,0]=4 21515 B10R0.41 CCCCCOC(CC)CC e589b5b698e13acaf4d45ab51776a984 [1,2,0,0,0,0|0,0,0]=3 21516 B10R0.41 CCCCCOC(CCl)CBr c1c31e3af7ce71ce4527c6ff22aebe3f [1,2,0,0,0,0|1,0,0]=4 21517 B10R0.41 CCCCCOC(CCl)CCl d82af105c792077fe6fd19c7f29dbea7 [1,2,0,0,0,0|1,0,0]=4 21518 B10R0.41 CCCCCOC(CF)CF 6de79ccb80692e2b5a781749feae1dac [1,2,0,0,0,0|1,0,0]=4 21519 B10R0.41 CCCCCOC(CO)CO ac2784fe018d3c0e93a5334967a8e157 [1,2,0,0,0,0|1,0,0]=4 21520 B10R0.41 CCCCCO[C@@H](CCl)CI 4645b4f7f0b180e7fdf60968dd5c915c [1,2,0,0,0,0|1,0,0]=4 21521 B10R0.41 CCCCCO[C@H](CCl)CI de16ca1c3fb2019f5b3ce279faabd67a [1,2,0,0,0,0|1,0,0]=4 21522 B10R0.41 CCCCNCC(CC)CC a2a7fe28414303fa6008d79e49a15f3b [1,2,0,0,0,0|1,0,0]=4 21523 B10R0.41 CCCCNCC(CC)CO 16ffcbade4ee949bf3ac4b5ae2a900e7 [1,2,0,0,0,0|1,0,0]=4 21524 B10R0.41 CCCCOCC(CBr)CBr af291c0ca1e37b4e26bb5b507099d2f9 [1,2,0,0,0,0|1,0,0]=4 21525 B10R0.41 CCCCOCC(CC)CC 3d1a3f2be3192a3bfedd970a03189add [1,2,0,0,0,0|0,0,0]=3 21526 B10R0.41 CCCCOCC(CC)OC bac3e1729f45b22892b9d1854782680b [1,2,0,0,0,0|0,0,0]=3 21527 B10R0.41 CCCCOCC(OC)OC 540e233c8ba8a7bc60b3a0360e5d243d [1,2,0,0,0,0|1,0,0]=4 21528 B10R0.41 CCCCOCN(CC)CC 81170f43dc71f160f941dd58e74283c3 [1,2,0,0,0,0|1,0,0]=4 21529 B10R0.41 CCCNCCC(CC)CC 4f0dae9980d98c0793f890e9d6bb3d40 [1,2,0,0,0,0|1,0,0]=4 21530 B10R0.41 CCCOCCC(OC)OC e457f5af226c3a4c437f0fe670d02f48 [1,2,0,0,0,0|1,0,0]=4 21531 B10R0.41 CCCOCCN(CC)CC f9e2a81025ed3e813844b13a34d0207a [1,2,0,0,0,0|1,0,0]=4 21532 B10R0.41 CCOCCOC(C#N)CC a54b987a1c96f0e748f001a23115b6ae [1,2,0,0,0,0|1,0,0]=4 21533 B10R0.41 CCOCCOC(C=O)CC 4efbbde272951b88cf9bf4217c933b1f [1,2,0,0,0,0|1,0,0]=4 21534 B10R0.41 CCOCCOC(CC)CC 48a6b8aed51fc09eede629ba903c13e2 [1,2,0,0,0,0|1,0,0]=4 21535 B10R0.41 CCOCOCC(CC)CC bfb70fe45d6ade10e16265baf66d0626 [1,2,0,0,0,0|1,0,0]=4 21536 B10R0.41 CCOCOCC(CC)OC ebc43baae4d7816e5a97e530d9761c85 [1,2,0,0,0,0|1,0,0]=4 21537 B10R0.41 CCSCCOC(C#N)CC 9b930107ffdb01a2e4ef560883fd0213 [1,2,0,0,0,0|1,0,0]=4 21538 B10R0.41 CCSCCOC(C=O)CC ef7497f29cf14046507647af262059ac [1,2,0,0,0,0|1,0,0]=4 21539 B10R0.41 CCSCCOC(CC)CC 878a0727f8ff0273fa2553cf133d03e4 [1,2,0,0,0,0|1,0,0]=4 21540 B10R0.59 C=C(CC)COCC(C)CC f4d6ac2ca2ae90fe3b2ce95babf08246 [1,2,0,0,0,0|0,0,1]=4 21541 B10R0.59 C=C(CC)COC[C@@H](C)CC 22ad0d1b88d225906ec354f16788284c [1,2,0,0,0,0|0,0,1]=4 21542 B10R0.59 C=C(CC)COC[C@H](C)CC 97a23895f1396bc201420e0bdbeef0c9 [1,2,0,0,0,0|0,0,1]=4 21543 B10R0.59 CCC(=O)COCC(C)CC ef081adfaad2df22509bac2c9a895b9b [1,2,0,0,0,0|0,0,1]=4 21544 B10R0.59 CCC(=O)COC[C@@H](C)CC 02d0853befac175d877a6d9162c020f3 [1,2,0,0,0,0|0,0,1]=4 21545 B10R0.59 CCC(=O)COC[C@H](C)CC 670d12323da84db322a4a145ae8e8782 [1,2,0,0,0,0|0,0,1]=4 21546 B10R0.59 CCC(C)CCNC(C)CC fe9bc33d51a70732dc1a55167383ac52 [1,2,0,0,0,0|1,0,0]=4 21547 B10R0.59 CCC(C)CCN[C@@H](C)CC c54c79d0988a22b47773bca8b6b5d695 [1,2,0,0,0,0|1,0,0]=4 21548 B10R0.59 CCC(C)CCN[C@H](C)CC 66971d8978d7600aa03e8698dd8ef3d0 [1,2,0,0,0,0|1,0,0]=4 21549 B10R0.59 CCC(C)CCOC(C)CC d8b6ebca2ed4ad478ce0c3c8698c7359 [1,2,0,0,0,0|0,0,0]=3 21550 B10R0.59 CCC(C)CCOC(C)CF ebbda1e3a8af1486b6fff5e9c6df44a6 [1,2,0,0,0,0|1,0,0]=4 21551 B10R0.59 CCC(C)CCOC(C)CS 347d7edbf7221c6ac53495f2913234a6 [1,2,0,0,0,0|1,0,0]=4 21552 B10R0.59 CCC(C)CCO[C@@H](C)CC f1e2fae39af9a89f079de57f73fabfd4 [1,2,0,0,0,0|0,0,0]=3 21553 B10R0.59 CCC(C)CCO[C@H](C)CC 75abce699b887269d61c64bac720faa3 [1,2,0,0,0,0|0,0,0]=3 21554 B10R0.59 CCC(C)CCO[C@H](C)CS 08f8b1ee37ec61bd5048f436d644e496 [1,2,0,0,0,0|1,0,0]=4 21555 B10R0.59 CCC(C)CNCC(C)CC ee4e312e8f963db787a03d3c12528c7e [1,2,0,0,0,0|1,0,0]=4 21556 B10R0.59 CCC(C)CNCC(O)CC c864eb906906fe1233bd79c1f1eaca31 [1,2,0,0,0,0|1,0,0]=4 21557 B10R0.59 CCC(C)CNC[C@@H](C)CC 8f2de060c80a5e45d90f36cf2aa2c426 [1,2,0,0,0,0|1,0,0]=4 21558 B10R0.59 CCC(C)CNC[C@H](C)CC 41262b39d270288000900af416712116 [1,2,0,0,0,0|1,0,0]=4 21559 B10R0.59 CCC(C)CNC[C@H](O)CC cd42e40201546c850b99a3dc92ceae2a [1,2,0,0,0,0|1,0,0]=4 21560 B10R0.59 CCC(C)COCC(Br)CBr 73c5cd679e7791ffe3cb5947d61fc6fe [1,2,0,0,0,0|1,0,0]=4 21561 B10R0.59 CCC(C)COCC(C)CC aeafbafd43c2ff6680e9dd862f489334 [1,2,0,0,0,0|0,0,0]=3 21562 B10R0.59 CCC(C)COCC(C)OC f53e4f7bb17b4ce09cad02bab5f857e9 [1,2,0,0,0,0|1,0,0]=4 21563 B10R0.59 CCC(C)COCC(Cl)CCl 611e76c7316372805d3a2d662e8f4c62 [1,2,0,0,0,0|1,0,0]=4 21564 B10R0.59 CCC(C)COCC(O)CO 449c08c1f545ad3452ee4188f9abc968 [1,2,0,0,0,0|1,0,0]=4 21565 B10R0.59 CCC(C)COCC(S)CS 8e5d0f59f29a530a4929cab17cc05817 [1,2,0,0,0,0|1,0,0]=4 21566 B10R0.59 CCC(C)COC[C@@H](C)CC 0dd4ecb4e5643dc95a39ebd8bba440c8 [1,2,0,0,0,0|0,0,0]=3 21567 B10R0.59 CCC(C)COC[C@@H](C)OC d55c283c1d94934a50b312a1c17a2dc9 [1,2,0,0,0,0|1,0,0]=4 21568 B10R0.59 CCC(C)COC[C@@H](O)CO 0d077f375d3affc36de1b264f28d798f [1,2,0,0,0,0|1,0,0]=4 21569 B10R0.59 CCC(C)COC[C@H](C)CC 712df94a78238d0a857f7e89bebdf222 [1,2,0,0,0,0|0,0,0]=3 21570 B10R0.59 CCC(C)COC[C@H](C)OC 3778545355a2bac8e27befb723489e5d [1,2,0,0,0,0|1,0,0]=4 21571 B10R0.59 CCC(C)COC[C@H](O)CO 211885765df8a94df12fd0f32bd0a95d [1,2,0,0,0,0|1,0,0]=4 21572 B10R0.59 CCC(C)OCCC(C)OC 0083f7850f2aec41a46dd32ad7fcd3c8 [1,2,0,0,0,0|1,0,0]=4 21573 B10R0.59 CCC(C)OCCS(=O)CC ddeec9402a03dc1b9b3ee3e0de466262 [1,2,0,0,0,0|1,0,0]=4 21574 B10R0.59 CCC(C)OCC[C@@H](C)CC 7928d3aa18277f2f8463d0181942099e [1,2,0,0,0,0|0,0,0]=3 21575 B10R0.59 CCC(O)CNCC(O)CC 204ce2037a27f5996a9395d9054b59fd [1,2,0,0,0,0|1,0,0]=4 21576 B10R0.59 CCC(O)CNC[C@@H](C)CC bd3e90ae68039c804f9bb1644fa37e14 [1,2,0,0,0,0|1,0,0]=4 21577 B10R0.59 CCC(O)CNC[C@H](C)CC 01825355d0f60c2325405dcbf5632d4a [1,2,0,0,0,0|1,0,0]=4 21578 B10R0.59 CCC(O)CNC[C@H](O)CC 1e60bb0cc40748f512b515b171a1acd2 [1,2,0,0,0,0|1,0,0]=4 21579 B10R0.59 CCC(S)CCOC(C)CC 191933bf7126f6e38c6d154fa381027b [1,2,0,0,0,0|0,0,0]=3 21580 B10R0.59 CC[C@@H](C)CNC[C@@H](C)CC e417c00408367cbb44b2780f45ed5a54 [1,2,0,0,0,0|1,0,0]=4 21581 B10R0.59 CC[C@@H](C)CNC[C@H](O)CC 4a06b27a37ee126af45c43223de7e019 [1,2,0,0,0,0|1,0,0]=4 21582 B10R0.59 CC[C@@H](C)COCC(Br)CBr 1e1ae102b89f814cd98e5267b7b4c3c4 [1,2,0,0,0,0|1,0,0]=4 21583 B10R0.59 CC[C@@H](C)COCC(C)OC 87021eb425aeb65e928aab2465df76e5 [1,2,0,0,0,0|1,0,0]=4 21584 B10R0.59 CC[C@@H](C)COCC(Cl)CCl e33ebf3a904c9f08de3110a439061935 [1,2,0,0,0,0|1,0,0]=4 21585 B10R0.59 CC[C@@H](C)COCC(O)CO 55188b3d6d19e8da8a80d16440a8c236 [1,2,0,0,0,0|1,0,0]=4 21586 B10R0.59 CC[C@@H](C)COCC(S)CS 411afa894c06117616c286bd34c34e70 [1,2,0,0,0,0|1,0,0]=4 21587 B10R0.59 CC[C@@H](C)COC[C@@H](C)CC ed1971e273d4aded2aca22c7cdd93720 [1,2,0,0,0,0|0,0,0]=3 21588 B10R0.59 CC[C@@H](C)COC[C@@H](C)OC 0d39cb040e59891f6a6805909825f771 [1,2,0,0,0,0|1,0,0]=4 21589 B10R0.59 CC[C@@H](C)COC[C@@H](O)CO f005f26f02816d85d782734ad6e12bec [1,2,0,0,0,0|1,0,0]=4 21590 B10R0.59 CC[C@@H](C)COC[C@H](C)CC d649c8e2c3708e9d817adf75f1724c20 [1,2,0,0,0,0|0,0,0]=3 21591 B10R0.59 CC[C@@H](C)COC[C@H](C)OC 7f2ca5d4ee48f46fb82c207fd3cea6cf [1,2,0,0,0,0|1,0,0]=4 21592 B10R0.59 CC[C@@H](C)COC[C@H](O)CO 75c3d2245ca1615902c8034e0c526ae6 [1,2,0,0,0,0|1,0,0]=4 21593 B10R0.59 CC[C@@H](C)OCCS(=O)CC 0dc425834b34e8a947d1ef9e4addbb96 [1,2,0,0,0,0|1,0,0]=4 21594 B10R0.59 CC[C@H](C)CNC[C@@H](C)CC 97bcebd72bc1c93fba2e8ca5076c44f6 [1,2,0,0,0,0|1,0,0]=4 21595 B10R0.59 CC[C@H](C)CNC[C@H](O)CC 4a40bd05a9e88fda65ee01c8e8630ceb [1,2,0,0,0,0|1,0,0]=4 21596 B10R0.59 CC[C@H](C)COCC(Br)CBr 4b7dabd886b6ad59ebd66a97670c4b57 [1,2,0,0,0,0|1,0,0]=4 21597 B10R0.59 CC[C@H](C)COCC(C)OC 153426fe52a0dab7e976eb9d1c8b5cc1 [1,2,0,0,0,0|1,0,0]=4 21598 B10R0.59 CC[C@H](C)COCC(Cl)CCl 9d9a74400fbef465952b76cee6656dfd [1,2,0,0,0,0|1,0,0]=4 21599 B10R0.59 CC[C@H](C)COCC(O)CO 70e2427cff0acfb870b06fb2a2f8a432 [1,2,0,0,0,0|1,0,0]=4 21600 B10R0.59 CC[C@H](C)COCC(S)CS b1897f9c6f32e3d2d3130020ddc9a09e [1,2,0,0,0,0|1,0,0]=4 21601 B10R0.59 CC[C@H](C)COC[C@@H](C)CC 4a3fd866cbdc6f61ea5df099238bf8ec [1,2,0,0,0,0|0,0,0]=3 21602 B10R0.59 CC[C@H](C)COC[C@@H](C)OC 22632c7cefb48d6333e0277f9eea7205 [1,2,0,0,0,0|1,0,0]=4 21603 B10R0.59 CC[C@H](C)COC[C@@H](O)CO 52177ba664ed6fc911ef41f2028862b3 [1,2,0,0,0,0|1,0,0]=4 21604 B10R0.59 CC[C@H](C)COC[C@H](C)OC ddb32df94632a1ead9a1b40c33ce7ae5 [1,2,0,0,0,0|1,0,0]=4 21605 B10R0.59 CC[C@H](C)COC[C@H](O)CO 8fced7198e22e73089ce436ffe2df5be [1,2,0,0,0,0|1,0,0]=4 21606 B10R0.59 CC[C@H](C)OCCS(=O)CC 295189d5f328a3dd3da01f1c1743bc28 [1,2,0,0,0,0|1,0,0]=4 21607 B10R0.62 CCC(C)(C)CCOCCF db90ca687ab50fcc792a0f9088fb9957 [1,2,0,0,0,0|1,0,0]=4 21608 B10R0.62 CCC(C)(C)CCOCCS 5f91ba7cd80d50db0153251b0819a41c [1,2,0,0,0,0|1,0,0]=4 21609 B10R0.62 CCC(C)(C)CCOCOC c44be7731586ed9df96cd6e8af7284fe [1,2,0,0,0,0|1,0,0]=4 21610 B10R0.62 CCC(F)(F)COCCCF 7140e9cde49aaa21c3b2923941378879 [1,2,0,0,0,0|1,0,0]=4 21611 B10R0.62 CCC(F)(F)COCCCS f37af3e1f5bf7f7d61bce625d9bebd18 [1,2,0,0,0,0|1,0,0]=4 21612 B10R0.62 CCC(F)(F)COCCOC c48d9cc8955d9e1de26a15707fe41669 [1,2,0,0,0,0|1,0,0]=4 21613 B10R0.62 CCC(F)(F)COCCSC 240e0d7b646be9f06aa213106c0b3fd2 [1,2,0,0,0,0|1,0,0]=4 21614 B10R0.62 CCCCCNC(C)(C)CC 0453243ff9b6064f929ed63ead9c59d9 [1,2,0,0,0,0|1,0,0]=4 21615 B10R0.62 CCCCNCC(C)(C)CC 7b1a1c4843c8a5dd4d3600920dae7a07 [1,2,0,0,0,0|1,0,0]=4 21616 B10R0.62 CCCCNCC(C)(O)CC 02d64dd645836434aa01999b7556cd8b [1,2,0,0,0,0|1,0,0]=4 21617 B10R0.62 CCCCOCC(C)(C)CF 523bee651e47232808669a92c5f93ba0 [1,2,0,0,0,0|1,0,0]=4 21618 B10R0.62 CCCCOCC(C)(C)OC f06e4989366156faadbb565ecd04dbec [1,2,0,0,0,0|1,0,0]=4 21619 B10R0.62 CCCCOCC(F)(F)CC 1856f4b8d6aa0461ed9f1b500404e1cb [1,2,0,0,0,0|0,0,0]=3 21620 B10R0.62 CCCNCCC(C)(C)CC c3e0dc49e9ad8daab9e210b1928d0e67 [1,2,0,0,0,0|1,0,0]=4 21621 B10R0.62 CCCOCCC(C)(C)CC 2966f8fb54e06a9d47758e8bb0aecb41 [1,2,0,0,0,0|0,0,0]=3 21622 B10R0.62 CCCOCCC(C)(C)OC 6664075d936772ce93b05a95c613c4e5 [1,2,0,0,0,0|1,0,0]=4 21623 B10R0.62 CCCOCCS(=O)(=O)CC 99eb14eed95e67eac25f67e66c1c2248 [1,2,0,0,0,0|1,0,0]=4 21624 B12R0.2 CCCCC(C)NC(C)CC(C)C 5755003c8bf94704178059caa9738820 [0,3,0,0,0,0|1,0,0]=4 21625 B12R0.2 CCCCC(C)NC(C)CC(C)O bcf86f75c7f9f6907b58e5de3967d912 [0,3,0,0,0,0|1,0,0]=4 21626 B12R0.2 CCCCC(C)OC(C)CC(C)C 0a4432f48169e5c2e08a8687b666469f [0,3,0,0,0,0|0,0,0]=3 21627 B12R0.2 CCCCC(C)OC(C)CN(C)C dde646cb66b48814f6e0349cad4a1081 [0,3,0,0,0,0|1,0,0]=4 21628 B12R0.2 CCCCC(C)O[C@@H](C)CC(C)C 7d3da19f938792a7547b3769b4d86eb2 [0,3,0,0,0,0|0,0,0]=3 21629 B12R0.2 CCCCC(C)O[C@@H](C)CN(C)C 7abf38abfc019e5f2747dec72cf120ac [0,3,0,0,0,0|1,0,0]=4 21630 B12R0.2 CCCCC(C)O[C@H](C)CC(C)C 342ad2b9482bca9bd8e2b894940c1f2b [0,3,0,0,0,0|0,0,0]=3 21631 B12R0.2 CCCCC(C)O[C@H](C)CN(C)C ab2da6b0cae4eec94c88d0a6331ca89b [0,3,0,0,0,0|1,0,0]=4 21632 B12R0.2 CCCC[C@@H](C)NC(C)CC(C)C adb947d7151f2f9dbb30f5afe5c88bf6 [0,3,0,0,0,0|1,0,0]=4 21633 B12R0.2 CCCC[C@@H](C)OC(C)CC(C)C ec1e5df070c9fc492a805dc057f5045b [0,3,0,0,0,0|0,0,0]=3 21634 B12R0.2 CCCC[C@H](C)OC(C)CC(C)C e84b92aac9e7668635aa77690007c059 [0,3,0,0,0,0|0,0,0]=3 21635 B12R0.2 CCOCC(C)OC(C)CC(C)C ddd0657da295a95c082c61fda58e92f7 [0,3,0,0,0,0|1,0,0]=4 21636 B12R0.2 COCCC(C)OC(C)CC(C)C 3414187a9b49e3e42499e046e7d34221 [0,3,0,0,0,0|1,0,0]=4 21637 B12R0.2 CSCCC(C)OC(C)CC(C)C 8a0b0c7e1bd1f1d79c1848a8ce8c2b8c [0,3,0,0,0,0|1,0,0]=4 21638 B12R0.4 C#CCCCCOC(C)CC(C)C 5633cf27e8120c12122055a54fa1c4ea [0,3,0,0,0,0|0,0,1]=4 21639 B12R0.4 C#CCCCCO[C@@H](C)CC(C)C e9cd6a18f65e54fe9f030a98950de6c1 [0,3,0,0,0,0|0,0,1]=4 21640 B12R0.4 C#CCCCCO[C@H](C)CC(C)C f1c4199418360ec086297486fd3082ff [0,3,0,0,0,0|0,0,1]=4 21641 B12R0.4 C#CCCCOCC(C)CC(C)C bd06f9ad6bbf57dfcd62dfe5a5dda0d9 [0,3,0,0,0,0|0,0,1]=4 21642 B12R0.4 C/C=C/CCCOC(C)CC(C)C 6a13f32fbb15e0862c2385e13d6693f8 [0,3,0,0,0,0|0,0,1]=4 21643 B12R0.4 C/C=C\CCCOC(C)CC(C)C d170eabf4bb3f9eb4607ced2118f2600 [0,3,0,0,0,0|0,0,1]=4 21644 B12R0.4 C/C=C\CCCO[C@@H](C)CC(C)C 7fb71d18116b964b00438223c07eb7d5 [0,3,0,0,0,0|0,0,1]=4 21645 B12R0.4 C/C=C\CCCO[C@H](C)CC(C)C ee782c2dabc7ae0126f2e84661aa7434 [0,3,0,0,0,0|0,0,1]=4 21646 B12R0.4 C=CCCCCOC(C)CC(C)C b676766cb068ad6559d9e73769556b00 [0,3,0,0,0,0|0,0,1]=4 21647 B12R0.4 C=CCCCCO[C@@H](C)CC(C)C 327e1e469d33c3258a3ec3ea56c330a7 [0,3,0,0,0,0|0,0,1]=4 21648 B12R0.4 C=CCCCCO[C@H](C)CC(C)C f46c5a634339a1c7273e150ed6432abe [0,3,0,0,0,0|0,0,1]=4 21649 B12R0.4 C=CCCCOCC(C)CC(C)C e47c96d34e38712ad4f1e221b7e0e4c3 [0,3,0,0,0,0|0,0,1]=4 21650 B12R0.4 CC#CCCCOC(C)CC(C)C f1fde7382db0182d53b79f4fbd7f910c [0,3,0,0,0,0|0,0,1]=4 21651 B12R0.4 CC(C)CC(=O)COCCCCF 3cb55a3e9bfb1f0551d459e5ba84f6f9 [0,3,0,0,0,0|0,0,1]=4 21652 B12R0.4 CC(C)CC(=O)COCCCCS ae7578da153d67af849bf5d0401d84a6 [0,3,0,0,0,0|0,0,1]=4 21653 B12R0.4 CC(C)CC(C)CCOCCCF 81968330b11957800425d580e2f43297 [0,3,0,0,0,0|1,0,0]=4 21654 B12R0.4 CC(C)CC(C)CCOCCCS a3b2bb702d47fa990b3663b436740678 [0,3,0,0,0,0|1,0,0]=4 21655 B12R0.4 CC(C)CC(C)COCCCC#N ac8c8ff59cce24b66a3a2d0d40fffe14 [0,3,0,0,0,0|0,0,1]=4 21656 B12R0.4 CC(C)CC(C)COCCCC=O 84d03f5e58ec7d2b7d1a7916264dc8ed [0,3,0,0,0,0|0,0,1]=4 21657 B12R0.4 CC(C)CC(C)COCCCCF a693193784bea674410a7ce182498c7b [0,3,0,0,0,0|0,0,0]=3 21658 B12R0.4 CC(C)CC(C)NCCCCCCl 78ce2381d777e12e0e91ccec251ba10e [0,3,0,0,0,0|1,0,0]=4 21659 B12R0.4 CC(C)CC(C)NCCCCCF 3dddbbd0d406deab65ee7b849449c748 [0,3,0,0,0,0|1,0,0]=4 21660 B12R0.4 CC(C)CC(C)NCCCCCO 5293d57fda7775c5a3355289a723b929 [0,3,0,0,0,0|1,0,0]=4 21661 B12R0.4 CC(C)CC(C)OCCCCC#N ef0df13c4eb60e33a07e43bc5e1eac10 [0,3,0,0,0,0|0,0,1]=4 21662 B12R0.4 CC(C)CC(C)OCCCCC=O fe618519cc8a017326defea5862ae9de [0,3,0,0,0,0|0,0,1]=4 21663 B12R0.4 CC(C)CC(C)OCCCCCF 05d423bfbeda2810c028ff68a5a1d193 [0,3,0,0,0,0|0,0,0]=3 21664 B12R0.4 CC(C)CC(C)OCCOCCF 0bb90a0290a8a7ea85637b0ed697afa2 [0,3,0,0,0,0|1,0,0]=4 21665 B12R0.4 CC(C)CC(C)OCCOCCS cb9f5b8ba82dbe14a6b2ba5590583f9c [0,3,0,0,0,0|1,0,0]=4 21666 B12R0.4 CC(C)CC(O)CNCCCCF 7aad4847cc10a1adcdf0d17480181fb3 [0,3,0,0,0,0|1,0,0]=4 21667 B12R0.4 CC(C)CC(O)CNCCCCO a857b3fbab3e336918a6dffc3c303715 [0,3,0,0,0,0|1,0,0]=4 21668 B12R0.4 CC(C)C[C@@H](C)OCCCCC#N 46ddf17ef5fbb7b3f650bf6e0d49c7bf [0,3,0,0,0,0|0,0,1]=4 21669 B12R0.4 CC(C)C[C@@H](C)OCCCCC=O 8b4feeca633c2d086794864fe3a97c5e [0,3,0,0,0,0|0,0,1]=4 21670 B12R0.4 CC(C)C[C@@H](C)OCCCCCF cf7bab716e2ca0476a5a6514c624ee4a [0,3,0,0,0,0|0,0,0]=3 21671 B12R0.4 CC(C)C[C@H](C)OCCCCC#N fa7092d4589efe0892cf07d82e841daa [0,3,0,0,0,0|0,0,1]=4 21672 B12R0.4 CC(C)C[C@H](C)OCCCCC=O 5153ffd438f6427ad63cdffb05812db1 [0,3,0,0,0,0|0,0,1]=4 21673 B12R0.4 CC(C)C[C@H](C)OCCCCCF d12d6ad1f7e051f3d7f3b4efae30f943 [0,3,0,0,0,0|0,0,0]=3 21674 B12R0.4 CC(CN(C)C)OCCCCCF 155fc4e7dc320b51ea0ac520d3ce1112 [0,3,0,0,0,0|1,0,0]=4 21675 B12R0.4 CC(COCCCCF)CN(C)C 3345785ba0646016a843d74c5779691c [0,3,0,0,0,0|1,0,0]=4 21676 B12R0.4 CC(COCCCCS)CN(C)C a7e19aef4f321ecd04174d314f67cf1b [0,3,0,0,0,0|1,0,0]=4 21677 B12R0.4 CC(O)CC(C)NCCCCCF 587312737c2aad9b768c97b3fc141c3b [0,3,0,0,0,0|1,0,0]=4 21678 B12R0.4 CC(O)CC(C)NCCCCCO bd2603a499d085ec0091e53d052b7af5 [0,3,0,0,0,0|1,0,0]=4 21679 B12R0.4 CC/C=C/CCOC(C)CC(C)C 3022b59da2b1bc542c311e3f2679121f [0,3,0,0,0,0|0,0,1]=4 21680 B12R0.4 CC/C=C/COCC(C)CC(C)C 01f496b451a1b7986f92512fed7f9e1c [0,3,0,0,0,0|0,0,1]=4 21681 B12R0.4 CC/C=C\CCOC(C)CC(C)C 6f57319143676b6db8616e2222a1c270 [0,3,0,0,0,0|0,0,1]=4 21682 B12R0.4 CC/C=C\CCO[C@@H](C)CC(C)C 7556695f0700b5319536d9c38bb3d3f7 [0,3,0,0,0,0|0,0,1]=4 21683 B12R0.4 CC/C=C\CCO[C@H](C)CC(C)C 9eb1724e32c16293c887d5c434b95bc6 [0,3,0,0,0,0|0,0,1]=4 21684 B12R0.4 CC=CCCCOC(C)CC(C)C e296ea64ca23f46631fe31a1ed84703c [0,3,0,0,0,0|0,0,1]=4 21685 B12R0.4 CCC#CCCOC(C)CC(C)C d5241893318caeea9efe04b334e8e1ce [0,3,0,0,0,0|0,0,1]=4 21686 B12R0.4 CCC#CCOCC(C)CC(C)C 9a8415472a00b95cdb86031edf0e6a4a [0,3,0,0,0,0|0,0,1]=4 21687 B12R0.4 CCC/C=C/COC(C)CC(C)C bfa71575e0d61e5dbbbb007ee786ae3b [0,3,0,0,0,0|0,0,1]=4 21688 B12R0.4 CCC/C=C/CO[C@@H](C)CC(C)C 95ea9460a821b2a9c845eb60a796601a [0,3,0,0,0,0|0,0,1]=4 21689 B12R0.4 CCC/C=C/CO[C@H](C)CC(C)C f4e3e9bc1ecd3ddac5d57e2ae048c60f [0,3,0,0,0,0|0,0,1]=4 21690 B12R0.4 CCC/C=C\COC(C)CC(C)C d8346c5d64f6d50cd0f9e7c60cbbcb4c [0,3,0,0,0,0|0,0,1]=4 21691 B12R0.4 CCC/C=C\CO[C@@H](C)CC(C)C 1f1c378afc8b2cc1d429594f84010d65 [0,3,0,0,0,0|0,0,1]=4 21692 B12R0.4 CCC/C=C\CO[C@H](C)CC(C)C a3779279b2db24c59ca381f8c0450ce4 [0,3,0,0,0,0|0,0,1]=4 21693 B12R0.4 CCCC#CCOC(C)CC(C)C 84a3dee051d2a39753937508049a99ea [0,3,0,0,0,0|0,0,1]=4 21694 B12R0.4 CCCCCCCC(C)OC(C)C 0b1c4c7163fdf62bb81c82fe66c2781b [0,3,0,0,0,0|1,0,0]=4 21695 B12R0.4 CCCCCCCN(C)CC(C)C c5a0b4dad621f3822a9d1b21c3268cd8 [0,3,0,0,0,0|1,0,0]=4 21696 B12R0.4 CCCCCCCN(C)CC(C)O 88feca56b34c0071fa7b4a34619f34d9 [0,3,0,0,0,0|1,0,0]=4 21697 B12R0.4 CCCCCCCN(C)C[C@@H](C)O 7c172e11e79cd7e87b9a99725a3e60f1 [0,3,0,0,0,0|1,0,0]=4 21698 B12R0.4 CCCCCCCN(C)C[C@H](C)O eeba1698a8237d9658c67a8c9c38cc26 [0,3,0,0,0,0|1,0,0]=4 21699 B12R0.4 CCCCCCC[C@H](C)NC(C)C 830ed00f20ab1c2ec302b11f80111207 [0,3,0,0,0,0|1,0,0]=4 21700 B12R0.4 CCCCCCNC(C)CC(C)C 75c4776e93142fa96d6e2bc1707a0d5e [0,3,0,0,0,0|1,0,0]=4 21701 B12R0.4 CCCCCCNC(C)CC(C)O b2a00b4b9b4f168db9a930bf770fcde1 [0,3,0,0,0,0|1,0,0]=4 21702 B12R0.4 CCCCCCOC(C)CC(C)C 6560c956dee98a278963955c67d66da6 [0,3,0,0,0,0|0,0,0]=3 21703 B12R0.4 CCCCCCOC(C)CN(C)C 769fa8d939ccdb2eacfd51a952b7df50 [0,3,0,0,0,0|1,0,0]=4 21704 B12R0.4 CCCCCCO[C@@H](C)CC(C)C 1fedb3350284afee43b7173c9f16b760 [0,3,0,0,0,0|0,0,0]=3 21705 B12R0.4 CCCCCCO[C@@H](C)CN(C)C 99bf97c9e51f791ec148daf4a23346b1 [0,3,0,0,0,0|1,0,0]=4 21706 B12R0.4 CCCCCCO[C@H](C)CC(C)C cead5d22bcf79121f5c0623fc0b49e5d [0,3,0,0,0,0|0,0,0]=3 21707 B12R0.4 CCCCCCO[C@H](C)CN(C)C 27df159ba6a483cd1630c6c9b0f0d994 [0,3,0,0,0,0|1,0,0]=4 21708 B12R0.4 CCCCCNCC(=O)CC(C)C 44a613dfb5e5bef891f656e0cbe6cf01 [0,3,0,0,0,0|1,0,0]=4 21709 B12R0.4 CCCCCNCC(C)CN(C)C 890bdfbf2cc3d261eff8ef2a446b47e1 [0,3,0,0,0,0|1,0,0]=4 21710 B12R0.4 CCCCCNCC(O)CC(C)C 71335f55f9ccb14865f9b13df7956f94 [0,3,0,0,0,0|1,0,0]=4 21711 B12R0.4 CCCCCNCC(O)CN(C)C 3deb57cade785aa093e1d36d2b07db5d [0,3,0,0,0,0|1,0,0]=4 21712 B12R0.4 CCCCCOCC(=O)CC(C)C c9f4e66b4bbf9b5f9530cc231f88e0a9 [0,3,0,0,0,0|0,0,0]=3 21713 B12R0.4 CCCCCOCC(=O)NC(C)C dba7d7ec2c1c22e183876fd3b917f601 [0,3,0,0,0,0|0,0,1]=4 21714 B12R0.4 CCCCCOCC(=O)OC(C)C f0793aa916f4836295bf296290c273cf [0,3,0,0,0,0|0,0,1]=4 21715 B12R0.4 CCCCCOCC(C)CC(C)C c7769006f5f658a3a18768a2e3a2ffa5 [0,3,0,0,0,0|0,0,0]=3 21716 B12R0.4 CCCCCOCC(C)CN(C)C acbe92dd400b3448cbc74c7604e44732 [0,3,0,0,0,0|0,0,0]=3 21717 B12R0.4 CCCCCOCC(C)NC(=O)C a4e8e8aa76c147eaa18593d259c0ae01 [0,3,0,0,0,0|0,0,1]=4 21718 B12R0.4 CCCCCOC[C@@H](C)CN(C)C 1628c832d6a95f81e323bcb2a741ba48 [0,3,0,0,0,0|0,0,0]=3 21719 B12R0.4 CCCCCOC[C@@H](C)NC(=O)C 192d13ac7c9f0bf686b01a761cfc6b68 [0,3,0,0,0,0|0,0,1]=4 21720 B12R0.4 CCCCCOC[C@H](C)CN(C)C 54cbe6b2448f245c854f9130d7f1f3ef [0,3,0,0,0,0|0,0,0]=3 21721 B12R0.4 CCCCNCOC(=O)CC(C)C 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[0,3,0,0,0,0|0,0,0]=3 21733 B12R0.4 CCCCOCNC(C)CN(C)C c7d70bbd486a7cee03c3db76ee6570c4 [0,3,0,0,0,0|1,0,0]=4 21734 B12R0.4 CCCCOCN[C@@H](C)CN(C)C a13953a75c0dc4bc951a156fe2d82cd4 [0,3,0,0,0,0|1,0,0]=4 21735 B12R0.4 CCCCOCN[C@H](C)CN(C)C c25129e7791dd97e89a6a7d97f9aa206 [0,3,0,0,0,0|1,0,0]=4 21736 B12R0.4 CCCCOCOC(=O)CC(C)C 370e54c1f068cc289efc426b3fe9abc5 [0,3,0,0,0,0|0,0,1]=4 21737 B12R0.4 CCCCOCOC(C)CC(C)C 7a16e811a9b77f1cd33b3666c19beb10 [0,3,0,0,0,0|0,0,0]=3 21738 B12R0.4 CCCCOCOC(C)CN(C)C 69bec20c99ffaa1fd7fbb3074c6ef4bf [0,3,0,0,0,0|1,0,0]=4 21739 B12R0.4 CCCCOCO[C@@H](C)CC(C)C 97732bbd440966772d2a8a338cb0c940 [0,3,0,0,0,0|0,0,0]=3 21740 B12R0.4 CCCCOCO[C@@H](C)CN(C)C 50a50801be364fa456ccbe18c9d96bcd [0,3,0,0,0,0|1,0,0]=4 21741 B12R0.4 CCCCOCO[C@H](C)CC(C)C a897cddc6e857eb9730eb280f075bcd2 [0,3,0,0,0,0|0,0,0]=3 21742 B12R0.4 CCCCOCO[C@H](C)CN(C)C 103f2f3a2fbff5987f9caa8712842970 [0,3,0,0,0,0|1,0,0]=4 21743 B12R0.4 CCCOCCCC(C)CC(C)C 89dc6ce86f19db747f1ef998dfa973b6 [0,3,0,0,0,0|1,0,0]=4 21744 B12R0.4 CCCOCCNC(C)CC(C)C 50eef8a7f65ee7b4093e0a8a11460b45 [0,3,0,0,0,0|1,0,0]=4 21745 B12R0.4 CCCOCCNC(C)CC(C)O 5964af19329f2da797749079d11d5ce7 [0,3,0,0,0,0|1,0,0]=4 21746 B12R0.4 CCCOCCOC(C)CC(C)C 9523f427d1ee052064778419c3d5f970 [0,3,0,0,0,0|0,0,0]=3 21747 B12R0.4 CCCOCCOC(C)CN(C)C c5987f9f34a65ce1f75efcb36b6c0e3f [0,3,0,0,0,0|1,0,0]=4 21748 B12R0.4 CCCOCCO[C@@H](C)CC(C)C 55bc70c331cf08042661cf7b0a11ef7a [0,3,0,0,0,0|0,0,0]=3 21749 B12R0.4 CCCOCCO[C@@H](C)CN(C)C acc91c5cf580e531752fd7182f1d54cc [0,3,0,0,0,0|1,0,0]=4 21750 B12R0.4 CCCOCCO[C@H](C)CC(C)C 4794306ec4517a96a30bcb109153b3f7 [0,3,0,0,0,0|0,0,0]=3 21751 B12R0.4 CCCOCCO[C@H](C)CN(C)C 7fabf3c77c003a7ecd28488b3c38cc9c [0,3,0,0,0,0|1,0,0]=4 21752 B12R0.4 CCCSCCOC(C)CC(C)C a3dfc87a3545e68906663c0f9d394340 [0,3,0,0,0,0|0,0,0]=3 21753 B12R0.4 CCOCCCNC(C)CC(C)C d0864b990e9cb47393ee977bef6cf36b [0,3,0,0,0,0|1,0,0]=4 21754 B12R0.4 CCOCCCNC(C)CC(C)O e358ccca368409aaa13c75f35cd060fa [0,3,0,0,0,0|1,0,0]=4 21755 B12R0.4 CCOCCCOC(C)CC(C)C cdafde57a4dd9d0e5079e321c2ca3f15 [0,3,0,0,0,0|0,0,0]=3 21756 B12R0.4 CCOCCCOC(C)CN(C)C d8ded5c22f264f5d659f67243b088237 [0,3,0,0,0,0|1,0,0]=4 21757 B12R0.4 CCOCCCO[C@@H](C)CC(C)C 5b7269d4396defbc3e1a0be9711154bb [0,3,0,0,0,0|0,0,0]=3 21758 B12R0.4 CCOCCCO[C@@H](C)CN(C)C 3c23e0436d6690aa0d720bc1794dfe1c [0,3,0,0,0,0|1,0,0]=4 21759 B12R0.4 CCOCCCO[C@H](C)CC(C)C 83c0568d1c1018a1a5250f6eae0d1c45 [0,3,0,0,0,0|0,0,0]=3 21760 B12R0.4 CCOCCCO[C@H](C)CN(C)C 043d6626840cd10386398b7b2a6fd758 [0,3,0,0,0,0|1,0,0]=4 21761 B12R0.4 CCOCCNCC(O)CC(C)C 0fcbf4edd41720188e922e989b1dd2c9 [0,3,0,0,0,0|1,0,0]=4 21762 B12R0.4 CCOCCOCC(=O)CC(C)C 3f21ccea1ebb2ee7f51fb95bd41ac04d [0,3,0,0,0,0|0,0,1]=4 21763 B12R0.4 CCOCCOCC(C)CC(C)C 7ca2ee5c6b521b562ddee8fe541fb073 [0,3,0,0,0,0|0,0,0]=3 21764 B12R0.4 CCOCCOCC(C)CN(C)C 9e2c28598d58f740afb4be1c54f9fc96 [0,3,0,0,0,0|1,0,0]=4 21765 B12R0.4 CCOCCOC[C@@H](C)CN(C)C 443f70b391bbb005837f44b287757a32 [0,3,0,0,0,0|1,0,0]=4 21766 B12R0.4 CCOCCOC[C@H](C)CN(C)C dd44a4f41453a174b19b3ef8b4936c63 [0,3,0,0,0,0|1,0,0]=4 21767 B12R0.4 CCOCOCCC(C)CC(C)C 601d80dc425d98b451dbadbc5d994ba1 [0,3,0,0,0,0|1,0,0]=4 21768 B12R0.4 CCSCCCNC(C)CC(C)C a81320f03bb870751296b48a083b5146 [0,3,0,0,0,0|1,0,0]=4 21769 B12R0.4 CCSCCCNC(C)CC(C)O e94a85b1dfc66862dcd1181109a3bacd [0,3,0,0,0,0|1,0,0]=4 21770 B12R0.4 CCSCCCOC(C)CC(C)C be2c6d3db1993565cb898733ae9eef6b [0,3,0,0,0,0|0,0,0]=3 21771 B12R0.4 CCSCCCOC(C)CN(C)C 85b7605344baf592f646b65372369295 [0,3,0,0,0,0|1,0,0]=4 21772 B12R0.4 CCSCCCO[C@@H](C)CC(C)C dc874657970cbf115eedc62da421b8b1 [0,3,0,0,0,0|0,0,0]=3 21773 B12R0.4 CCSCCCO[C@@H](C)CN(C)C 62637331efd0d35b8c28c1112de68577 [0,3,0,0,0,0|1,0,0]=4 21774 B12R0.4 CCSCCCO[C@H](C)CC(C)C dbecb6184afa6428b5493649039fb012 [0,3,0,0,0,0|0,0,0]=3 21775 B12R0.4 CCSCCCO[C@H](C)CN(C)C 8014d2f960f4bc5a4b78179c4e9de39d [0,3,0,0,0,0|1,0,0]=4 21776 B12R0.4 CCSCCNCC(O)CC(C)C 804fb282ee87496f1935aa7572e9c51d [0,3,0,0,0,0|1,0,0]=4 21777 B12R0.4 CCSCCOCC(=O)CC(C)C 527d5e4b2e78fdf149f66d3e89405ac9 [0,3,0,0,0,0|0,0,1]=4 21778 B12R0.4 CCSCCOCC(C)CC(C)C 107dc93bd871a7d26fb0d46af9a26bb3 [0,3,0,0,0,0|0,0,0]=3 21779 B12R0.4 CCSCCOCC(C)CN(C)C 15d3262ab0241139b57f340653e4834a [0,3,0,0,0,0|1,0,0]=4 21780 B12R0.4 CCSCCOC[C@@H](C)CN(C)C 2bd0a48bab26b014feb6e6468167af5f [0,3,0,0,0,0|1,0,0]=4 21781 B12R0.4 CCSCCOC[C@H](C)CN(C)C 43790a97916fb6f15cd70d7c6bafe2d7 [0,3,0,0,0,0|1,0,0]=4 21782 B12R0.4 COCCCCNC(C)CC(C)C 93ebc0f6f141f6a0ab8f464fda75241f [0,3,0,0,0,0|1,0,0]=4 21783 B12R0.4 COCCCCNC(C)CC(C)O a818d4c22060f55e2691414878b62c1f [0,3,0,0,0,0|1,0,0]=4 21784 B12R0.4 COCCCCOC(C)CC(C)C d108d3ae0d0ca1060b11e88ce195bf11 [0,3,0,0,0,0|0,0,0]=3 21785 B12R0.4 COCCCCOC(C)CN(C)C 810e9a0a8f08b318d974af2f46a84287 [0,3,0,0,0,0|1,0,0]=4 21786 B12R0.4 COCCCCO[C@@H](C)CC(C)C 15c77cd4128115f7963de25c49690886 [0,3,0,0,0,0|0,0,0]=3 21787 B12R0.4 COCCCCO[C@@H](C)CN(C)C 7cd2ffc4dc43d02b89a206468170d6df [0,3,0,0,0,0|1,0,0]=4 21788 B12R0.4 COCCCCO[C@H](C)CC(C)C 5cafd1c89a3293510e20b2ef71a0684c [0,3,0,0,0,0|0,0,0]=3 21789 B12R0.4 COCCCCO[C@H](C)CN(C)C afc558d87e0d77f186d3f0df9ce589aa [0,3,0,0,0,0|1,0,0]=4 21790 B12R0.4 COCCCNCC(O)CC(C)C d8b96b0a22a439a6e44725c0ab378d90 [0,3,0,0,0,0|1,0,0]=4 21791 B12R0.4 COCCCOCC(=O)CC(C)C 53a97c74b7af555ce1724fa7cffa693c [0,3,0,0,0,0|0,0,1]=4 21792 B12R0.4 COCCCOCC(C)CC(C)C fe0087e474310959ea6e4345ff4481f0 [0,3,0,0,0,0|0,0,0]=3 21793 B12R0.4 COCCCOCC(C)CN(C)C cb7c5bd9346720c6b8cdabe2be9e9a04 [0,3,0,0,0,0|1,0,0]=4 21794 B12R0.4 COCCCOC[C@@H](C)CN(C)C 09b5a0076959c620ecaff41659646cde [0,3,0,0,0,0|1,0,0]=4 21795 B12R0.4 COCCCOC[C@H](C)CN(C)C 3dad80b2711a3ca3f0da2778493ce963 [0,3,0,0,0,0|1,0,0]=4 21796 B12R0.4 COCCOCCC(C)CC(C)C 3795e2fd8dcca9b4dd65ea2dd5b37140 [0,3,0,0,0,0|1,0,0]=4 21797 B12R0.4 COCCOCCN(C)CC(C)C 5de431db4b34069b5049b777de1a233a [0,3,0,0,0,0|1,0,0]=4 21798 B12R0.4 COCCOCCN(C)CC(C)O 3a13630b8b955fe09890fbfe70fe3265 [0,3,0,0,0,0|1,0,0]=4 21799 B12R0.4 COCCOCCN(C)C[C@@H](C)O 03cdbafe4d65913aadc8828c415d0d47 [0,3,0,0,0,0|1,0,0]=4 21800 B12R0.4 COCCOCCN(C)C[C@H](C)O cb4383a0c30b2570ac7f40318736fdfa [0,3,0,0,0,0|1,0,0]=4 21801 B12R0.4 COCCOCNC(C)CC(C)C f094c434a16e86b8b07d725542892064 [0,3,0,0,0,0|1,0,0]=4 21802 B12R0.4 COCCOCNC(C)CC(C)O ab2d2af9db76a3baf8e36e8a1a607c8b [0,3,0,0,0,0|1,0,0]=4 21803 B12R0.4 COCCOCOC(C)CC(C)C 25bd4a3ce5b8d7ab3ff2db05e98e2462 [0,3,0,0,0,0|1,0,0]=4 21804 B12R0.4 COCCOCO[C@@H](C)CC(C)C 2f031f5b8dea778f8530282042a9694a [0,3,0,0,0,0|1,0,0]=4 21805 B12R0.4 COCCOCO[C@H](C)CC(C)C 3395484289825b02f680374ce794c81f [0,3,0,0,0,0|1,0,0]=4 21806 B12R0.4 COCOCCOC(C)CC(C)C 337eaf1ee615fd8213d6b31119d3af3e [0,3,0,0,0,0|1,0,0]=4 21807 B12R0.4 COCOCCO[C@@H](C)CC(C)C 7c58634bbc06d8e8639214886060344b [0,3,0,0,0,0|1,0,0]=4 21808 B12R0.4 COCOCCO[C@H](C)CC(C)C 91c6ce6c12d35ca372aee9b5276882d0 [0,3,0,0,0,0|1,0,0]=4 21809 B12R0.4 CSCCCCNC(C)CC(C)C 0486a622911d71536f0c3bbf6e9ae411 [0,3,0,0,0,0|1,0,0]=4 21810 B12R0.4 CSCCCCOC(C)CC(C)C f572b784eef207b8a77d9df36c3ad9cd [0,3,0,0,0,0|0,0,0]=3 21811 B12R0.4 CSCCCNCC(O)CC(C)C 4240cb19d7d39ec08fc0182e307547b5 [0,3,0,0,0,0|1,0,0]=4 21812 B12R0.4 CSCCCOCC(=O)CC(C)C cf33add081955b5be371745a89ea9212 [0,3,0,0,0,0|0,0,1]=4 21813 B12R0.4 CSCCCOCC(C)CC(C)C 1c48cb7cb1385a66a031a9bb738dbbe9 [0,3,0,0,0,0|0,0,0]=3 21814 B12R0.4 CSCCCOCC(C)CN(C)C 5587245ca6d169b37ddf4b10c5de190a [0,3,0,0,0,0|1,0,0]=4 21815 B12R0.4 CSCCCOC[C@@H](C)CN(C)C de57217040cc3b5b296d1db3847b5e8c [0,3,0,0,0,0|1,0,0]=4 21816 B12R0.4 CSCCCOC[C@H](C)CN(C)C aebf7c7a282cad047b7f8ceb2487f2b2 [0,3,0,0,0,0|1,0,0]=4 21817 B12R0.4 CSCCOCCC(C)CC(C)C 2864459a5b2fa28deb4e599357cf7b3e [0,3,0,0,0,0|1,0,0]=4 21818 B12R0.4 C[C@@H](CN(C)C)OCCCCCF 698c2a007d9de563aecc7efd8dd09c1d [0,3,0,0,0,0|1,0,0]=4 21819 B12R0.4 C[C@@H](COCCCCF)CN(C)C ebbb877c3e6acbe282fec6f4079da13c [0,3,0,0,0,0|1,0,0]=4 21820 B12R0.4 C[C@H](CN(C)C)OCCCCCF ffbc46d13c72d9397f82f986d8d633ba [0,3,0,0,0,0|1,0,0]=4 21821 B12R0.4 C[C@H](COCCCCF)CN(C)C b70e164e69f721f554a43a6135379d18 [0,3,0,0,0,0|1,0,0]=4 21822 B12R0.46 CCCCCOC(C)C(=O)C(C)C 115bab70a0c9a3fddfb8ecbabdab6e18 [0,3,0,0,0,0|0,0,1]=4 21823 B12R0.46 CCCCOCN(C)C(C)C(C)C 1b16636316f639e26ba96e0a83b95260 [0,3,0,0,0,0|1,0,0]=4 21824 B12R0.113 C#CC(C)OC(C)COCCCC c26ec72e1dbca915790c04a781ae9968 [0,3,0,0,0,0|1,0,0]=4 21825 B12R0.113 C=CC(C)OC(C)COCCCC 4c4fad65b71f93504b17e311fc8d5998 [0,3,0,0,0,0|1,0,0]=4 21826 B12R0.113 CCC(C)CC(C)NCCCCF ccff62032e8c5b2a01cdce7bd1ac1515 [0,3,0,0,0,0|1,0,0]=4 21827 B12R0.113 CCC(C)CC(C)NCCCCO 176b06c84513e779d07d59f41bbca8cf [0,3,0,0,0,0|1,0,0]=4 21828 B12R0.113 CCC(C)CC(C)NCCCOC 4f004a50a3c408520f2be5c366525566 [0,3,0,0,0,0|1,0,0]=4 21829 B12R0.113 CCC(C)CC(C)NCCCSC 947aebd804be4b74c1052aac20320789 [0,3,0,0,0,0|1,0,0]=4 21830 B12R0.113 CCC(C)CN(C)CCCCCO 5a1a39a27948b46288e5d7699770ee23 [0,3,0,0,0,0|1,0,0]=4 21831 B12R0.113 CCC(C)CN(C)CCCCOC a09dcee0ecf230228833e8703da5b7b3 [0,3,0,0,0,0|1,0,0]=4 21832 B12R0.113 CCC(O)CN(C)CCCCCF 654af0a8376290b233d0acfdce848c23 [0,3,0,0,0,0|1,0,0]=4 21833 B12R0.113 CCC(O)CN(C)CCCCCO 9e33ebc26ad423cbc3f17e987c19b8f7 [0,3,0,0,0,0|1,0,0]=4 21834 B12R0.113 CCC(O)CN(C)CCCCOC 162c00443ed3eb93ad488553e8849454 [0,3,0,0,0,0|1,0,0]=4 21835 B12R0.113 CCC(O)CN(C)COCCOC 28e221e1493f2a7e3fd4a031a4101f60 [0,3,0,0,0,0|1,0,0]=4 21836 B12R0.113 CCCCCCC(C)NC(C)CC b2e119040a2d110c1a7dc3b0b930471d [0,3,0,0,0,0|1,0,0]=4 21837 B12R0.113 CCCCCCC(C)N[C@@H](C)CC ffc88820d4f4ac74b9c23212cb6995ef [0,3,0,0,0,0|1,0,0]=4 21838 B12R0.113 CCCCCCC(C)N[C@H](C)CC 7754ac39ae2c774d38f1c1224d31f9c5 [0,3,0,0,0,0|1,0,0]=4 21839 B12R0.113 CCCCCCC(C)OC(C)CC ef9eb615ac7a3f92f3d475ca66803e27 [0,3,0,0,0,0|1,0,0]=4 21840 B12R0.113 CCCCCCC(C)O[C@@H](C)CC ca995e5d393d7c1e370ef5a896483f7c [0,3,0,0,0,0|1,0,0]=4 21841 B12R0.113 CCCCCCC(C)O[C@H](C)CC 62df7ba11443a07bb3f9058b9ffae58b [0,3,0,0,0,0|1,0,0]=4 21842 B12R0.113 CCCCCCN(C)CC(C)CC 91f6a6c091c8f381203d41bdea81313b [0,3,0,0,0,0|1,0,0]=4 21843 B12R0.113 CCCCCCN(C)CC(O)CC 06e81fe1c739c3829a8de73a69273ec5 [0,3,0,0,0,0|1,0,0]=4 21844 B12R0.113 CCCCCCN(C)C[C@@H](C)CC eef72e015ea9037c9d05761efd01689d [0,3,0,0,0,0|1,0,0]=4 21845 B12R0.113 CCCCCCN(C)C[C@H](C)CC d944f882aa316abdaa076fdf6a8848c1 [0,3,0,0,0,0|1,0,0]=4 21846 B12R0.113 CCCCCC[C@@H](C)NC(C)CC 1844b4031dd4f19de5300f1875269d60 [0,3,0,0,0,0|1,0,0]=4 21847 B12R0.113 CCCCCC[C@@H](C)OC(C)CC 12c3746082e0c5689e184cf9b7d3c0ba [0,3,0,0,0,0|1,0,0]=4 21848 B12R0.113 CCCCCC[C@H](C)NC(C)CC aa57700643bb3fc7803e4ba99fce6996 [0,3,0,0,0,0|1,0,0]=4 21849 B12R0.113 CCCCCC[C@H](C)OC(C)CC 56a00d0a5d3d4d47be94f799cfa97ad0 [0,3,0,0,0,0|1,0,0]=4 21850 B12R0.113 CCCCCNC(=O)CC(C)CC f7055e01481448307fbb56c6ba0a086b [0,3,0,0,0,0|1,0,0]=4 21851 B12R0.113 CCCCCNC(=O)CC(O)CC bec883dd847725cd1242dfce46146527 [0,3,0,0,0,0|1,0,0]=4 21852 B12R0.113 CCCCCNC(=O)C[C@@H](C)CC 6828e80832fb96a9cada9a521fe40da4 [0,3,0,0,0,0|1,0,0]=4 21853 B12R0.113 CCCCCNC(=O)C[C@@H](O)CC af78e84a1cad93172d8bf487f9ae9beb [0,3,0,0,0,0|1,0,0]=4 21854 B12R0.113 CCCCCNC(=O)C[C@H](C)CC 7e5866c799cf610387e8027c8b2d0ed1 [0,3,0,0,0,0|1,0,0]=4 21855 B12R0.113 CCCCCNC(=O)C[C@H](O)CC b1954248f57a23c226e64fa5f3efef57 [0,3,0,0,0,0|1,0,0]=4 21856 B12R0.113 CCCCCNC(C)CC(C)CC 370699b02bceb5a35a90115785a0e83a [0,3,0,0,0,0|1,0,0]=4 21857 B12R0.113 CCCCCOC(C)CC(=O)OC 87b3f72c061b9231938c26f2e341fa2f [0,3,0,0,0,0|0,0,1]=4 21858 B12R0.113 CCCCCOC(C)CC(C)OC a59d12838adb53b3345c2c5ea1353e78 [0,3,0,0,0,0|0,0,0]=3 21859 B12R0.113 CCCCCO[C@@H](C)CC(=O)OC a1e3a7bd068b8c31a7c8f7d58c300938 [0,3,0,0,0,0|0,0,1]=4 21860 B12R0.113 CCCCCO[C@H](C)CC(=O)OC 529fd49700acc10b6710b3e38995b97b [0,3,0,0,0,0|0,0,1]=4 21861 B12R0.113 CCCCNCC(C)CN(C)CC 956a9c224010908986990db8c203c2a8 [0,3,0,0,0,0|1,0,0]=4 21862 B12R0.113 CCCCOCC(=O)NC(C)CC ec98bf1b2cef750ffd7ba414d0b750f7 [0,3,0,0,0,0|0,0,1]=4 21863 B12R0.113 CCCCOCC(=O)N[C@@H](C)CC d26b815724c0640a0671a343348d1f81 [0,3,0,0,0,0|0,0,1]=4 21864 B12R0.113 CCCCOCC(=O)N[C@H](C)CC 40394689f42a0468422ee8894ca43f4f [0,3,0,0,0,0|0,0,1]=4 21865 B12R0.113 CCCCOCC(C)CC(=O)OC 68ba0b25ca5922c03c741772ee11f389 [0,3,0,0,0,0|0,0,1]=4 21866 B12R0.113 CCCCOCC(C)OC(C)C#N c5de5a4726b8a211adce90e02eb86cf8 [0,3,0,0,0,0|1,0,0]=4 21867 B12R0.113 CCCCOCC(C)OC(C)C=O d92db0071e31ef1d09f438910e5c9cbf [0,3,0,0,0,0|1,0,0]=4 21868 B12R0.113 CCCCOCC(C)OC(C)CC 33856aa43c2bf78aa5ec08e39f0e5640 [0,3,0,0,0,0|0,0,0]=3 21869 B12R0.113 CCCCOCC(C)O[C@H](C)C=O 2dd670def22e951513d1a0a9ae4d741c [0,3,0,0,0,0|1,0,0]=4 21870 B12R0.113 CCCCOCN(C)CC(C)C#N f6a8668e9f73ebcd3c30db94f24e1d97 [0,3,0,0,0,0|1,0,0]=4 21871 B12R0.113 CCCCOCN(C)CC(C)CO 69827f64850efdc9ccd7fc23d2ac0206 [0,3,0,0,0,0|1,0,0]=4 21872 B12R0.113 CCCCOCN(C)CC(O)CC c7f071864ac711ddc6de05d4e45906e1 [0,3,0,0,0,0|0,0,0]=3 21873 B12R0.113 CCCCOCN(C)CC(O)CO 65161a17c49a647769b15dfe8f4275b4 [0,3,0,0,0,0|1,0,0]=4 21874 B12R0.113 CCCOCCN(C)CC(O)CC 5b08e296b9bd5ff6550270faa9baa88a [0,3,0,0,0,0|1,0,0]=4 21875 B12R0.113 CCOCCCN(C)CC(O)CC 14e405a590b810e9f5d74b5f86035e25 [0,3,0,0,0,0|1,0,0]=4 21876 B12R0.113 CCOCCNC(C)CC(C)CC 1bcbd4af09ea595252f8f7dd181338c9 [0,3,0,0,0,0|1,0,0]=4 21877 B12R0.113 CCOCCOC(C)CC(C)OC 61aab1951d72f855925e730dd51f2be6 [0,3,0,0,0,0|1,0,0]=4 21878 B12R0.113 CCSCCCN(C)CC(O)CC f27ae74574df933bb39fa9c60459e24d [0,3,0,0,0,0|1,0,0]=4 21879 B12R0.113 CCSCCNC(C)CC(C)CC e17d9efea3948a751ad222351ef8156c [0,3,0,0,0,0|1,0,0]=4 21880 B12R0.113 CCSCCOC(C)CC(C)OC e5eb3a520b29b71f342ea6dd264679bd [0,3,0,0,0,0|1,0,0]=4 21881 B12R0.113 CC[C@@H](C)CN(C)CCCCCO b157b8456011cf881e1d30b10b719c6a [0,3,0,0,0,0|1,0,0]=4 21882 B12R0.113 CC[C@@H](C)CN(C)CCCCOC 1901476e96c7b4b6c0b037a21b734fae [0,3,0,0,0,0|1,0,0]=4 21883 B12R0.113 CC[C@H](C)CN(C)CCCCCO 30c782477bf23891ba2877cd53d89974 [0,3,0,0,0,0|1,0,0]=4 21884 B12R0.113 CC[C@H](C)CN(C)CCCCOC ac9a88980a5b7c07760dd20cc2f86760 [0,3,0,0,0,0|1,0,0]=4 21885 B12R0.113 COC(C)CC(C)OCCCCF 94139887cfd89a4068960de6cc766b55 [0,3,0,0,0,0|1,0,0]=4 21886 B12R0.113 COC(C)CC(C)OCCCSC b82b9be4da006a2d0bb261da0597c3e1 [0,3,0,0,0,0|1,0,0]=4 21887 B12R0.113 COCCCOC(C)CC(C)OC b5f72e7c051743077b322a4d9c7c688d [0,3,0,0,0,0|1,0,0]=4 21888 B12R0.125 CC(C)(O)CC(O)COCCCF 81b98886c3bbc690055a600223fdde2e [0,3,0,0,0,0|1,0,0]=4 21889 B12R0.125 CC(C)(O)CC(O)COCCCS 84741f00771a949647351bb0ca99a0c5 [0,3,0,0,0,0|1,0,0]=4 21890 B12R0.125 CC(CC(C)(C)C)OCCCCF 2bf55388bd86938759115b07b9817a9d [0,3,0,0,0,0|1,0,0]=4 21891 B12R0.125 CC(CC(C)(C)S)OCCCCF 1ad577da620e27e68253a9ce3168d7dc [0,3,0,0,0,0|1,0,0]=4 21892 B12R0.125 CC(COCCCF)CC(C)(C)C eb1d6051e36fd82e537bd8087440b5ba [0,3,0,0,0,0|1,0,0]=4 21893 B12R0.125 CC(COCCCS)CC(C)(C)C 428b4872850579d613295bba3326416c [0,3,0,0,0,0|1,0,0]=4 21894 B12R0.125 CCCCCOC(C)CC(C)(C)C e19d6af09643098a151ced295e13fe47 [0,3,0,0,0,0|0,0,0]=3 21895 B12R0.125 CCCCCOC(C)CC(C)(C)S e9782e7ebb3503ab588f54570721a59f [0,3,0,0,0,0|0,0,0]=3 21896 B12R0.125 CCCCCOC(C)CC(F)(F)F 91e06ee9a01e7d40d40c06a2648e62c4 [0,3,0,0,0,0|1,0,0]=4 21897 B12R0.125 CCCCNCC(O)CC(C)(C)O d71a73553ab6311db717d561fb88a820 [0,3,0,0,0,0|1,0,0]=4 21898 B12R0.125 CCCCOCC(C)CC(C)(C)C fa4bbf5985fe3d8b74c8101ac2dfb6e4 [0,3,0,0,0,0|0,0,0]=3 21899 B12R0.125 CCCCOCC(C)CC(F)(F)F a86e836f6455619a041d52087f962d71 [0,3,0,0,0,0|1,0,0]=4 21900 B12R0.125 CCCCOCC(O)CC(C)(C)O 260f5d9432d1525f511df6acf05b9d5c [0,3,0,0,0,0|0,0,0]=3 21901 B12R0.125 CCCCOCN(C)CC(C)(C)C a2bedfbc89034d74beec6718ff191f16 [0,3,0,0,0,0|1,0,0]=4 21902 B12R0.125 CCCCOCN(C)CC(C)(C)O 02bdec9f63686544903a12da3e6a6302 [0,3,0,0,0,0|1,0,0]=4 21903 B12R0.125 CCOCCOC(C)CC(C)(C)C 145d59b0a9d8d90490bb0ea05091319b [0,3,0,0,0,0|1,0,0]=4 21904 B12R0.125 CCOCCOC(C)CC(C)(C)S 9bc7d60df6ebaad430a3636ca9cf7c4e [0,3,0,0,0,0|1,0,0]=4 21905 B12R0.125 CCOCOCC(C)CC(C)(C)C 7d736cba9699a348d8db9414323a6de1 [0,3,0,0,0,0|1,0,0]=4 21906 B12R0.125 CCSCCOC(C)CC(C)(C)C ad73c62b20f32e76b8f5a0e11a270755 [0,3,0,0,0,0|1,0,0]=4 21907 B12R0.125 CCSCCOC(C)CC(C)(C)S f8229131756c051093cdd35d720f2d33 [0,3,0,0,0,0|1,0,0]=4 21908 B12R0.125 COCCCOC(C)CC(C)(C)C 20f0858e69fbf26668e9afa450e86052 [0,3,0,0,0,0|1,0,0]=4 21909 B12R0.125 COCCCOC(C)CC(C)(C)S ca979f555b342420b32e8efd9b3dcd3e [0,3,0,0,0,0|1,0,0]=4 21910 B12R0.125 COCCOCC(C)CC(C)(C)C 9b9e9644a75b3b633c4413476ea784a3 [0,3,0,0,0,0|1,0,0]=4 21911 B12R0.125 COCCOCC(O)CC(C)(C)O ccf1a83551187c33f5a3cdbdc2a8a1d6 [0,3,0,0,0,0|1,0,0]=4 21912 B12R0.125 CSCCCOC(C)CC(C)(C)C 4c95c5de2b0e833ac440087b6677785c [0,3,0,0,0,0|1,0,0]=4 21913 B12R0.125 CSCCCOC(C)CC(C)(C)S 36d9976d58d3d797269ec842bfd989f9 [0,3,0,0,0,0|1,0,0]=4 21914 B12R0.125 CSCCOCC(C)CC(C)(C)C 53f7207f7c47032a1fcfbc421c615b48 [0,3,0,0,0,0|1,0,0]=4 21915 B12R0.125 CSCCOCC(O)CC(C)(C)O 9564927adc26471d4893c563cf0bae26 [0,3,0,0,0,0|1,0,0]=4 21916 B12R0.141 CCCCCN(C)C(C)CC(C)C 97338070232964693c88f8fc2fa3265d [0,3,0,0,0,0|1,0,0]=4 21917 B12R0.141 CCCCCN(C)C(C)CC(C)O f5391e24e3878018f8d6f10f3ba3e3d8 [0,3,0,0,0,0|1,0,0]=4 21918 B12R0.141 CCCCNC(C)C(O)CC(C)C 06ef49f6e1c88b5c37823a94c0b5ce46 [0,3,0,0,0,0|1,0,0]=4 21919 B12R0.202 C#CC(CC(C)C)OCCCCC ba998bd2868ad614583575feb0ee1c0f [0,3,0,0,0,0|0,0,0]=3 21920 B12R0.202 C#CC(CC(C)C)OCCCCF d874798aaf1be5710a502924c1574f95 [0,3,0,0,0,0|1,0,0]=4 21921 B12R0.202 C#CC(CC(C)C)OCCCOC 73a2d36eb7aa44065f1bb87dfa80f837 [0,3,0,0,0,0|1,0,0]=4 21922 B12R0.202 C#CC(CC(C)C)OCCCSC d8e40844faa1963b9b122b984622a4f7 [0,3,0,0,0,0|1,0,0]=4 21923 B12R0.202 C#CC(CC(C)C)OCCOCC ae53ff55ff6c4193476b4fb477590982 [0,3,0,0,0,0|1,0,0]=4 21924 B12R0.202 C#CC(CC(C)C)OCCSCC 601489dc930f4f1300e272a33f3cc996 [0,3,0,0,0,0|1,0,0]=4 21925 B12R0.202 C=CC(CC(C)C)OCCCCC 6f0509714d3036cdce69e7903aa40f6d [0,3,0,0,0,0|0,0,0]=3 21926 B12R0.202 C=CC(CC(C)C)OCCCCF aac631b629eeb5ecabc1af3878b6f015 [0,3,0,0,0,0|1,0,0]=4 21927 B12R0.202 C=CC(CC(C)C)OCCCOC e35bc49a859785c5f25cfe2e8a99a527 [0,3,0,0,0,0|1,0,0]=4 21928 B12R0.202 C=CC(CC(C)C)OCCCSC 2ce327fefd4a9da7a01ecd6ba55ec5ab [0,3,0,0,0,0|1,0,0]=4 21929 B12R0.202 C=CC(CC(C)C)OCCOCC ddf501013fbad56ed694c4c0e95d2b57 [0,3,0,0,0,0|1,0,0]=4 21930 B12R0.202 C=CC(CC(C)C)OCCSCC c8bb2662884b2db9880151701181a324 [0,3,0,0,0,0|1,0,0]=4 21931 B12R0.202 CC(C)CC(C#N)COCCCF 869e34f6948316277c0cccdec0bcd4c6 [0,3,0,0,0,0|1,0,0]=4 21932 B12R0.202 CC(C)CC(C#N)COCCCS 72eb326ca845264a5987baaab98c51dc [0,3,0,0,0,0|1,0,0]=4 21933 B12R0.202 CC(C)CC(C#N)OCCCCF cdf65bbdf0ad7a0df67f954f8fbfccfc [0,3,0,0,0,0|1,0,0]=4 21934 B12R0.202 CCC(COCCCF)CC(C)C d53f261f477a45ae4e7e7c577d484b9e [0,3,0,0,0,0|1,0,0]=4 21935 B12R0.202 CCC(COCCCS)CC(C)C cab13105be52ee67a18e54ac9f5486b5 [0,3,0,0,0,0|1,0,0]=4 21936 B12R0.202 CCC(COCCOC)CC(C)C 509eae918e2217bd0ba0b3f7afc3c643 [0,3,0,0,0,0|1,0,0]=4 21937 B12R0.202 CCC(COCCSC)CC(C)C a52596781a562e90ae5e11f9410a2cf7 [0,3,0,0,0,0|1,0,0]=4 21938 B12R0.202 CCCCCNC(C#N)CC(C)C e143dafd73104f757f0544069d787d7a [0,3,0,0,0,0|1,0,0]=4 21939 B12R0.202 CCCCCNC(CO)CC(C)C 73a7b97e17295ed45a65e6c6aa037cd6 [0,3,0,0,0,0|1,0,0]=4 21940 B12R0.202 CCCCCN[C@@H](CO)CC(C)C e1802a907c39704dc524ed7b39870f57 [0,3,0,0,0,0|1,0,0]=4 21941 B12R0.202 CCCCCN[C@H](CO)CC(C)C 46e7f5f79bc8be8e61ad4bc685b085b0 [0,3,0,0,0,0|1,0,0]=4 21942 B12R0.202 CCCCCOC(C#N)CC(C)C 29cb3b9f13224dfabd4a50da78f5a2d9 [0,3,0,0,0,0|0,0,0]=3 21943 B12R0.202 CCCCCO[C@H](CC)CN(C)C 0ff0245141cf96cf24028343c125beb5 [0,3,0,0,0,0|1,0,0]=4 21944 B12R0.202 CCCCNCC(C#N)CC(C)C 5a9399daac8b0fd36763c35b57ea0ab5 [0,3,0,0,0,0|1,0,0]=4 21945 B12R0.202 CCCCNCC(CO)CC(C)C 8057ae0cc7539d25bc4d48da0056b80a [0,3,0,0,0,0|1,0,0]=4 21946 B12R0.202 CCCCOCC(C#N)CC(C)C 6c6dd23a7667a8a4ed0f3442a2053b9d [0,3,0,0,0,0|0,0,0]=3 21947 B12R0.202 CCCCOCC(CC)CC(C)C df8050cb269c3066a1bdf173611e4f81 [0,3,0,0,0,0|0,0,0]=3 21948 B12R0.202 CCCCOCN(CC)CC(C)C af89a167ae586a26ea66ba82de12ecae [0,3,0,0,0,0|1,0,0]=4 21949 B12R0.202 CCCCOCN(CC)CC(C)O 18b9d51c63a67dd8b874efb4e56e0559 [0,3,0,0,0,0|1,0,0]=4 21950 B12R0.202 CCCCOCN(CC)C[C@H](C)O 24f3e65aa81a4538e88d26613871fae0 [0,3,0,0,0,0|1,0,0]=4 21951 B12R0.202 CCOCCOC(C#N)CC(C)C f97e3de5cf6aaa25a683643298883522 [0,3,0,0,0,0|1,0,0]=4 21952 B12R0.202 CCOCOCC(C#N)CC(C)C f1df429f24baa5b9d74dd6a81f9611ca [0,3,0,0,0,0|1,0,0]=4 21953 B12R0.202 CCOCOCC(CC)CC(C)C 0e79671ed8526ea65ac911bd3bbcfa72 [0,3,0,0,0,0|1,0,0]=4 21954 B12R0.202 CCSCCOC(C#N)CC(C)C ff860215e80a3351117bdf9da11d9c1b [0,3,0,0,0,0|1,0,0]=4 21955 B12R0.202 COCCCOC(C#N)CC(C)C e9f934fc8e56b474962cad3dec9b4d68 [0,3,0,0,0,0|1,0,0]=4 21956 B12R0.202 COCCOCC(C#N)CC(C)C a2dac93c897abcfd1911a932db8ed70d [0,3,0,0,0,0|1,0,0]=4 21957 B12R0.202 CSCCCOC(C#N)CC(C)C 5dc6405ee3cb36c8c326f4df276468e3 [0,3,0,0,0,0|1,0,0]=4 21958 B12R0.202 CSCCOCC(C#N)CC(C)C faf303d1c12439703101beb6126c113d [0,3,0,0,0,0|1,0,0]=4 21959 B12R0.241 C=C(CC)COCC(C)CC(C)C c27832ef5f1ffe35ed8956578dcb1ccb [0,3,0,0,0,0|0,0,1]=4 21960 B12R0.241 CC(C)CC(C)COCC(O)CO 166ec76f84db9e57d833306607ae092f [0,3,0,0,0,0|1,0,0]=4 21961 B12R0.241 CC(C)CC(C)COC[C@@H](O)CO 0e3aa4dd9606988b6a3ea0c4704aaf55 [0,3,0,0,0,0|1,0,0]=4 21962 B12R0.241 CC(C)CC(C)COC[C@H](O)CO b753db38983a2134ae1984357a79ab4e [0,3,0,0,0,0|1,0,0]=4 21963 B12R0.241 CCC(=O)COCC(C)CC(C)C 9e627ffe7878d0a52b90ca431318e6b9 [0,3,0,0,0,0|0,0,1]=4 21964 B12R0.241 CCC(C)CCNC(C)CC(C)C c250106798a9a0032a09f2df54f1a215 [0,3,0,0,0,0|1,0,0]=4 21965 B12R0.241 CCC(C)CCNC(C)CC(C)O f14872cb0c0d3af568fe287ed757d6f8 [0,3,0,0,0,0|1,0,0]=4 21966 B12R0.241 CCC(C)CCOC(C)CC(C)C ff46a0fdfb58cad097f660e68a7fc2f9 [0,3,0,0,0,0|0,0,0]=3 21967 B12R0.241 CCC(C)CCOC(C)CN(C)C 940004869a57ae4f279ede3d73ecedaa [0,3,0,0,0,0|1,0,0]=4 21968 B12R0.241 CCC(C)CCO[C@@H](C)CC(C)C 752c26a46f95b286b6399129dae8ae11 [0,3,0,0,0,0|0,0,0]=3 21969 B12R0.241 CCC(C)CCO[C@@H](C)CN(C)C 7f41926f0b11226b2947447b881a2ece [0,3,0,0,0,0|1,0,0]=4 21970 B12R0.241 CCC(C)CCO[C@H](C)CC(C)C 205a28f8692144ad16cf352423edc177 [0,3,0,0,0,0|0,0,0]=3 21971 B12R0.241 CCC(C)CCO[C@H](C)CN(C)C d39fd37f8cc4b70aefc107e8a2bb6cb3 [0,3,0,0,0,0|1,0,0]=4 21972 B12R0.241 CCC(C)CNCC(O)CC(C)C df7f02b3e7df97416e651711773e5f0b [0,3,0,0,0,0|1,0,0]=4 21973 B12R0.241 CCC(C)COCC(=O)CC(C)C 43c505939f67f2655341f7868f4331c3 [0,3,0,0,0,0|0,0,1]=4 21974 B12R0.241 CCC(C)COCC(C)CC(C)C 62aa5416d7fe576f3c54e4723254d04f [0,3,0,0,0,0|0,0,0]=3 21975 B12R0.241 CCC(C)COCC(C)CN(C)C 34d993dab08b9b59fbc1b5178febdf20 [0,3,0,0,0,0|1,0,0]=4 21976 B12R0.241 CCC(C)COC[C@@H](C)CN(C)C c3f0bdaff5509652c68ac52bef50428c [0,3,0,0,0,0|1,0,0]=4 21977 B12R0.241 CCC(C)COC[C@H](C)CN(C)C 8ba3ec1a3f7320d1a2043e132e7643e5 [0,3,0,0,0,0|1,0,0]=4 21978 B12R0.241 CCC(O)CNCC(O)CC(C)C 79cee0619a2d9afdf21ee56a8a206d37 [0,3,0,0,0,0|1,0,0]=4 21979 B12R0.241 CCC(S)CCOC(C)CC(C)C 7631ed3881a0346dbf491543bc0dc624 [0,3,0,0,0,0|0,0,0]=3 21980 B12R0.241 CCS(=O)CCOC(C)CC(C)C a42192fbf8d190d3d8a3fb5e5c58e9df [0,3,0,0,0,0|1,0,0]=4 21981 B12R0.241 CCS(=O)CCO[C@@H](C)CC(C)C 5bfa142229f48cf053d3dbcfffbb1ddd [0,3,0,0,0,0|1,0,0]=4 21982 B12R0.241 CCS(=O)CCO[C@H](C)CC(C)C 21f7b47139951f1e4829e4ee37d15572 [0,3,0,0,0,0|1,0,0]=4 21983 B12R0.241 CC[C@@H](C)CNCC(O)CC(C)C 2ed8baeb7fd464249dd19d16152fe3f7 [0,3,0,0,0,0|1,0,0]=4 21984 B12R0.241 CC[C@@H](C)COCC(=O)CC(C)C 414318d8003ec6211942ccc9054eaa96 [0,3,0,0,0,0|0,0,1]=4 21985 B12R0.241 CC[C@@H](C)COCC(C)CC(C)C 4eecd69ee8680149c010878d79772749 [0,3,0,0,0,0|0,0,0]=3 21986 B12R0.241 CC[C@@H](C)COCC(C)CN(C)C 10546a32ee1944add8f4624eb36ebfd0 [0,3,0,0,0,0|1,0,0]=4 21987 B12R0.241 CC[C@@H](C)COC[C@@H](C)CN(C)C 43d1f9f62907dd619955dac4fa84ad61 [0,3,0,0,0,0|1,0,0]=4 21988 B12R0.241 CC[C@@H](C)COC[C@H](C)CN(C)C c70725d2eb9eff9c024cd9b86eb8e21e [0,3,0,0,0,0|1,0,0]=4 21989 B12R0.241 CC[C@H](C)CCOC(C)CC(C)C 9ddf1e8e928d78f8326d5d909709bad5 [0,3,0,0,0,0|0,0,0]=3 21990 B12R0.241 CC[C@H](C)CNCC(O)CC(C)C da55cccc788680d928f1a781c8a11f7a [0,3,0,0,0,0|1,0,0]=4 21991 B12R0.241 CC[C@H](C)COCC(=O)CC(C)C 8094fdb9d430675f2fde21db8b04a7a1 [0,3,0,0,0,0|0,0,1]=4 21992 B12R0.241 CC[C@H](C)COCC(C)CC(C)C 6906a18c39eb8e68df5bab63d32e6202 [0,3,0,0,0,0|0,0,0]=3 21993 B12R0.241 CC[C@H](C)COCC(C)CN(C)C afb2c04d33c08b713fab3ae2ea878244 [0,3,0,0,0,0|1,0,0]=4 21994 B12R0.241 CC[C@H](C)COC[C@@H](C)CN(C)C 55258c67f6f4263726de2e2ec3ce78d7 [0,3,0,0,0,0|1,0,0]=4 21995 B12R0.241 CC[C@H](C)COC[C@H](C)CN(C)C 76a194aa39b5b8dacde33aecf5095eec [0,3,0,0,0,0|1,0,0]=4 21996 B12R0.241 COC(C)CCOC(C)CC(C)C 3290424bffd3643557eff8e1c09efb6e [0,3,0,0,0,0|1,0,0]=4 21997 B12R0.241 COC(C)COCC(C)CC(C)C e1b5e2fa5eba3b9cf7d198f6f2f2575c [0,3,0,0,0,0|1,0,0]=4 21998 B12R0.241 CO[C@@H](C)COCC(C)CC(C)C 4b9a606128341b7f03269a4caf40b676 [0,3,0,0,0,0|1,0,0]=4 21999 B12R0.241 CO[C@H](C)COCC(C)CC(C)C fe657acc96e516c805d6cad9e6935f07 [0,3,0,0,0,0|1,0,0]=4 22000 B12R0.270 C=C(C)CCCOC(C)CC(C)C 2851cc744b6d66f515a3b9580ddf54b4 [0,3,0,0,0,0|0,0,1]=4 22001 B12R0.270 C=C(C)CCCO[C@@H](C)CC(C)C 592bf1814cc56568f4166eac0305f159 [0,3,0,0,0,0|0,0,1]=4 22002 B12R0.270 C=C(C)CCCO[C@H](C)CC(C)C 158615e7cae07fecb2a7dc869781bfaa [0,3,0,0,0,0|0,0,1]=4 22003 B12R0.270 C=C(C)CCOCC(C)CC(C)C df806c040cedeebc969dcf2a7c9aa768 [0,3,0,0,0,0|0,0,1]=4 22004 B12R0.270 CC(=O)CCCOC(C)CC(C)C 740e99dafdab2e238d90e4a669c6f485 [0,3,0,0,0,0|0,0,1]=4 22005 B12R0.270 CC(=O)CCCO[C@@H](C)CC(C)C 46288e9ca6cec645a815e8639cb717b8 [0,3,0,0,0,0|0,0,1]=4 22006 B12R0.270 CC(=O)CCCO[C@H](C)CC(C)C f719a84b2e57e7cef08bcc77b833d403 [0,3,0,0,0,0|0,0,1]=4 22007 B12R0.270 CC(=O)CCOCC(C)CC(C)C e56d48cd3408ccbfd00cab35a6733ad3 [0,3,0,0,0,0|0,0,1]=4 22008 B12R0.270 CC(C)CC(C)COCCN(C)C 66dbb1a9f1b83e43a227599d618348c0 [0,3,0,0,0,0|1,0,0]=4 22009 B12R0.270 CC(C)CC(C)COCCS(=O)C ec33e222da0167b12656414871af296b [0,3,0,0,0,0|1,0,0]=4 22010 B12R0.270 CC(C)CC(C)COCOC(C)C 6c12eea1799efd5b2cca6cf3707b4a21 [0,3,0,0,0,0|1,0,0]=4 22011 B12R0.270 CC(C)CC(C)NCCCC(C)O a6f95b175564f7394776b138aefa2dfa [0,3,0,0,0,0|1,0,0]=4 22012 B12R0.270 CC(C)CC(C)OCCCN(C)C 2c743a9019e0cb263dde48d803bec1c1 [0,3,0,0,0,0|1,0,0]=4 22013 B12R0.270 CC(C)CC(C)OCCOC(C)C 5a944e0fbcbdc905d379261573eee4db [0,3,0,0,0,0|1,0,0]=4 22014 B12R0.270 CC(C)CC(C)OCCSC(C)C 6131a74e32e26332fe3911730cbfbab7 [0,3,0,0,0,0|1,0,0]=4 22015 B12R0.270 CC(C)CC(O)CNCCC(C)O 345af891a377deb4ef19082e65bf0022 [0,3,0,0,0,0|1,0,0]=4 22016 B12R0.270 CC(C)CCCNC(C)CC(C)C cc840122632be88e864f44e445e81d00 [0,3,0,0,0,0|1,0,0]=4 22017 B12R0.270 CC(C)CCCNC(C)CC(C)O 629439e2e3913df67a2985f0920f46dd [0,3,0,0,0,0|1,0,0]=4 22018 B12R0.270 CC(C)CCCOC(C)CC(C)C bc342ef50e956a28f0225237bb26e444 [0,3,0,0,0,0|0,0,0]=3 22019 B12R0.270 CC(C)CCCOC(C)CN(C)C 676c5dc5c3a9a3a42f01122f412f40eb [0,3,0,0,0,0|1,0,0]=4 22020 B12R0.270 CC(C)CCCO[C@@H](C)CC(C)C ff5d02e349401cd2ab60f65ce09249a4 [0,3,0,0,0,0|0,0,0]=3 22021 B12R0.270 CC(C)CCCO[C@@H](C)CN(C)C 696200d358716c46bd4c736a30e88d2e [0,3,0,0,0,0|1,0,0]=4 22022 B12R0.270 CC(C)CCCO[C@H](C)CC(C)C b07f8f00f3e9edcd5af6b4ff48a628ca [0,3,0,0,0,0|0,0,0]=3 22023 B12R0.270 CC(C)CCCO[C@H](C)CN(C)C 2ab0281c5b74dce2ba468264b36c0466 [0,3,0,0,0,0|1,0,0]=4 22024 B12R0.270 CC(C)CCNCC(O)CC(C)C 0c54159af5eeb683730a6dd9a0d30465 [0,3,0,0,0,0|1,0,0]=4 22025 B12R0.270 CC(C)CCOCC(=O)CC(C)C 4056709ae3a53bc85e55e5ca4177a708 [0,3,0,0,0,0|0,0,1]=4 22026 B12R0.270 CC(C)CCOCC(C)CC(C)C 15c914e85a24b605e6165a5361b1677e 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bface1ea40ffc464035837b65281c83c [0,3,0,0,0,0|0,0,0]=3 22048 B12R0.272 CCCC(C)CO[C@@H](C)CN(C)C 67bca2de5a12f537dd16ec0f05e01dea [0,3,0,0,0,0|1,0,0]=4 22049 B12R0.272 CCCC(C)CO[C@H](C)CC(C)C ee9b46a335305ba23fb003f026cb56f9 [0,3,0,0,0,0|0,0,0]=3 22050 B12R0.272 CCCC(C)CO[C@H](C)CN(C)C d37d3f4756d031e7f532b3188c6e9338 [0,3,0,0,0,0|1,0,0]=4 22051 B12R0.272 CCCC(C)NCC(O)CC(C)C 0cd1f8ccddcae284bb07d5e634b4df25 [0,3,0,0,0,0|1,0,0]=4 22052 B12R0.272 CCCC(C)OCC(=O)CC(C)C bb8b97107986540f1b895feace0f03b5 [0,3,0,0,0,0|0,0,1]=4 22053 B12R0.272 CCCC(C)OCC(C)CC(C)C 7581f3b696d62131f6e2f6dd3f5e06cc [0,3,0,0,0,0|0,0,0]=3 22054 B12R0.272 CCCC(C)OCC(C)CN(C)C a08e63bfb56ea59c8c3bf3d6a7df5ff4 [0,3,0,0,0,0|1,0,0]=4 22055 B12R0.272 CCCC(C)OC[C@@H](C)CN(C)C f15ab91f28e5e10fac17f990d03c69c5 [0,3,0,0,0,0|1,0,0]=4 22056 B12R0.272 CCCC(C)OC[C@H](C)CN(C)C e9a7c7977a8d14d13da60d674f6f32e3 [0,3,0,0,0,0|1,0,0]=4 22057 B12R0.272 CCCC(O)CNC(C)CC(C)C e25ec7359ea04892295ec5f6a4a9a6c6 [0,3,0,0,0,0|1,0,0]=4 22058 B12R0.272 CCC[C@@H](C)OCC(=O)CC(C)C b95b4a3b7688f5f57fb1a1e9654c9f3d [0,3,0,0,0,0|0,0,1]=4 22059 B12R0.272 CCC[C@@H](C)OCC(C)CN(C)C 5bbc3342660e110bc7f638a5a4524d51 [0,3,0,0,0,0|1,0,0]=4 22060 B12R0.272 CCC[C@H](C)OCC(=O)CC(C)C aa53c1b1f285092dc2287d7597c0455a [0,3,0,0,0,0|0,0,1]=4 22061 B12R0.272 CCC[C@H](C)OCC(C)CN(C)C 4e5710099c237ac4b3a0bddc2bffcc25 [0,3,0,0,0,0|1,0,0]=4 22062 B12R0.272 CCOC(C)COC(C)CC(C)C 67a7e4bb4d44041706bbf9f0fa7a2b81 [0,3,0,0,0,0|1,0,0]=4 22063 B12R0.272 COCC(C)COC(C)CC(C)C 0b29befebd277dda1862e088b7032d4d [0,3,0,0,0,0|1,0,0]=4 22064 B12R0.272 COCC(C)OCC(C)CC(C)C efe511f399952791560a8caf14110418 [0,3,0,0,0,0|1,0,0]=4 22065 B12R0.272 COC[C@H](C)COC(C)CC(C)C 754a6b8c376c34d46b32c465df46d851 [0,3,0,0,0,0|1,0,0]=4 22066 B12R0.598 CCCCOCC(C)(C)CN(C)C bb0f5257697e7468867dd57a3c0a6715 [0,3,0,0,0,0|1,0,0]=4 22067 B12R0.1 C#CCC(C)OCCOCCCC 7d8078d4b5b93d7e6ba3f7b1bf00cac3 [0,3,0,0,0,0|0,0,1]=4 22068 B12R0.1 C#CCCCCCNC(C)CCC 4d57a729b0ec2b1c82500a6a56237553 [0,3,0,0,0,0|1,0,0]=4 22069 B12R0.1 C#CCCCCCN[C@@H](C)CCC d16a6540f46c702556c41194e24eea21 [0,3,0,0,0,0|1,0,0]=4 22070 B12R0.1 C#CCCCCCOC(=S)CCC 1421109afbd42d8c51e3ead441979c15 [0,3,0,0,0,0|0,0,1]=4 22071 B12R0.1 C#CCCCCCOC(C)CCC d6cbfcf8b7e02063187c7f3c29842277 [0,3,0,0,0,0|0,0,0]=3 22072 B12R0.1 C#CCCCCCOC(C)COC 3ccbcc837a3a42b395f91f43ce467ba3 [0,3,0,0,0,0|1,0,0]=4 22073 B12R0.1 C#CCCCCCOC(C)CSC 2f1d21d248150c18b4a29ec3bba64936 [0,3,0,0,0,0|1,0,0]=4 22074 B12R0.1 C#CCCCCCO[C@@H](C)CCC c2b914ec4f6ff0a7790b86128c5c20c7 [0,3,0,0,0,0|0,0,0]=3 22075 B12R0.1 C#CCCCCCO[C@@H](C)COC 49ec9cf8558dc1b53d0462dd2ceddb09 [0,3,0,0,0,0|1,0,0]=4 22076 B12R0.1 C#CCCCCCO[C@H](C)CCC 5f211372ed0953ff5629fed9ac500138 [0,3,0,0,0,0|0,0,0]=3 22077 B12R0.1 C#CCCCCCO[C@H](C)COC 6e95e1c38fc519b54a376d54389c3ad4 [0,3,0,0,0,0|1,0,0]=4 22078 B12R0.1 C#CCCCCNCC(C)CCC 9c4b9ac976ac1835f56d43a380fcc05f [0,3,0,0,0,0|1,0,0]=4 22079 B12R0.1 C#CCCCCNCC(O)CCC 0c7ed43391f3d869cb7e02f943f0d9cd [0,3,0,0,0,0|1,0,0]=4 22080 B12R0.1 C#CCCCCOCC(=O)CCC 506cd257b6ef16af2ae2833fd586a732 [0,3,0,0,0,0|0,0,1]=4 22081 B12R0.1 C#CCCCCOCC(C)CCC 6df58267bbb87c7032f7976f0fa4852d [0,3,0,0,0,0|0,0,0]=3 22082 B12R0.1 C#CCCCCOCC(C)COC cbf59d518dae0c840ed7444bccf28cdd [0,3,0,0,0,0|0,0,1]=4 22083 B12R0.1 C#CCCCCOCC(C)OCC fa60d62aa449770a4356e46a1bfe4d8b [0,3,0,0,0,0|0,0,1]=4 22084 B12R0.1 C#CCCCCOC[C@@H](C)COC 95481e9e9ff5d3852a9e453071ac4442 [0,3,0,0,0,0|0,0,1]=4 22085 B12R0.1 C#CCCCCOC[C@@H](O)CCO de8c72febd7cf583f74bbca39d1980ed [0,3,0,0,0,0|0,0,1]=4 22086 B12R0.1 C#CCCCOCCC(C)CCC 1fbdaf78e621082493973a3383289a1e [0,3,0,0,0,0|0,0,1]=4 22087 B12R0.1 C#CCCCOCCC(S)CCC 738447b40f21c408479eb7cc0d84ce19 [0,3,0,0,0,0|0,0,1]=4 22088 B12R0.1 C#CCN(C)CCOCCCCC 39f9696d185c2fea296bc9959ed0890a [0,3,0,0,0,0|0,0,1]=4 22089 B12R0.1 C#CCOCCCOC(C)CCC 50fbd6e0410216dc2c39ca84e5dad54e [0,3,0,0,0,0|0,0,1]=4 22090 B12R0.1 C#CCOCCOCC(C)CCC a7936ad720eaedf4f0841a100a4d33f0 [0,3,0,0,0,0|0,0,1]=4 22091 B12R0.1 C/C=C/C(C)OCCOCCCC 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25dc6f859d1e7897d3548aa55a1d043e [0,3,0,0,0,0|0,0,1]=4 22103 B12R0.1 C=CCC(C)COCCCCCF 1a74a6edd3a410c2dd0cf285066c0bcb [0,3,0,0,0,0|0,0,1]=4 22104 B12R0.1 C=CCC(C)COCCCCOC 10decdb6fa790eb45401ede712bec509 [0,3,0,0,0,0|0,0,1]=4 22105 B12R0.1 C=CCC(C)COCCCCSC a0aa205aaa0e8b250f0ca5f11b35f84d [0,3,0,0,0,0|0,0,1]=4 22106 B12R0.1 C=CCC(C)COCCCOCC f86d206fad5611fcb43e1d24daccc281 [0,3,0,0,0,0|0,0,1]=4 22107 B12R0.1 C=CCC(C)COCCCSCC b513628aea6fab6cff5ecebe821844af [0,3,0,0,0,0|0,0,1]=4 22108 B12R0.1 C=CCC(C)COCCOCCC bc75f6a57da0b10c2c7607c77e0a2f56 [0,3,0,0,0,0|0,0,1]=4 22109 B12R0.1 C=CCC(C)COCCSCCC 929623000e3bacc58fe8861cf59feff5 [0,3,0,0,0,0|0,0,1]=4 22110 B12R0.1 C=CCC(C)COCOCCCC b7a2d95e6db4d8c0b1d69cd07afe117f [0,3,0,0,0,0|0,0,1]=4 22111 B12R0.1 C=CCC(C)OCCOCCCC 54a4cb2658a6a8c40d2deb84a194f95a [0,3,0,0,0,0|0,0,1]=4 22112 B12R0.1 C=CCC(O)CNCOCCCC c81dbc857aa7481f9a277db0c6d1f32b [0,3,0,0,0,0|0,0,1]=4 22113 B12R0.1 C=CCCCCCNC(C)CCC 0686401f818ddf35f6ab7e5a4657d750 [0,3,0,0,0,0|1,0,0]=4 22114 B12R0.1 C=CCCCCCN[C@@H](C)CCC a44998756ecbc31b75c8b81b7200c4b8 [0,3,0,0,0,0|1,0,0]=4 22115 B12R0.1 C=CCCCCCOC(=S)CCC 26237e5dcf839f4fad4e1c60800a7c1b [0,3,0,0,0,0|0,0,1]=4 22116 B12R0.1 C=CCCCCCOC(C)CCC dadc7f22bdc51f80a928948a2aeeab9c [0,3,0,0,0,0|0,0,0]=3 22117 B12R0.1 C=CCCCCCOC(C)COC 1200a4067beaf7ca285d45579945add1 [0,3,0,0,0,0|1,0,0]=4 22118 B12R0.1 C=CCCCCCOC(C)CSC 4bf59c81ce37eaef0ca90ee51dd8f197 [0,3,0,0,0,0|1,0,0]=4 22119 B12R0.1 C=CCCCCCO[C@@H](C)CCC 38f4516f2186ec5801d74cc56045a004 [0,3,0,0,0,0|0,0,0]=3 22120 B12R0.1 C=CCCCCCO[C@@H](C)COC 9cab21c79800b25c1b0524608ea30a70 [0,3,0,0,0,0|1,0,0]=4 22121 B12R0.1 C=CCCCCCO[C@H](C)CCC dbc1c5061bf4ead45e70133f21d693d0 [0,3,0,0,0,0|0,0,0]=3 22122 B12R0.1 C=CCCCCCO[C@H](C)COC 0261aaed0549ac0669a821177ec6cd4f [0,3,0,0,0,0|1,0,0]=4 22123 B12R0.1 C=CCCCCNCC(C)CCC 9e74440a74315ed38f0d6745b3af7681 [0,3,0,0,0,0|1,0,0]=4 22124 B12R0.1 C=CCCCCNCC(O)CCC 5e5efaec39a66cd31ef8da650904eb46 [0,3,0,0,0,0|1,0,0]=4 22125 B12R0.1 C=CCCCCOCC(=O)CCC ab9360d9215ce4a637d3ebcf2a1fe066 [0,3,0,0,0,0|0,0,1]=4 22126 B12R0.1 C=CCCCCOCC(C)CCC 55d8b4ce7768e15b129d034226910fdc [0,3,0,0,0,0|0,0,0]=3 22127 B12R0.1 C=CCCCCOCC(C)COC ed9c57ab36f2d52e22ee82c5715b16d5 [0,3,0,0,0,0|0,0,1]=4 22128 B12R0.1 C=CCCCCOCC(C)OCC a65de9e3f0d57a7918aaa9f202fc4e74 [0,3,0,0,0,0|0,0,1]=4 22129 B12R0.1 C=CCCCCOC[C@@H](C)COC b4c0d0893d06ad4f31fdef422980da65 [0,3,0,0,0,0|0,0,1]=4 22130 B12R0.1 C=CCCCCOC[C@@H](O)CCO 850eb7a0d92b9d78ea84156d2bc98151 [0,3,0,0,0,0|0,0,1]=4 22131 B12R0.1 C=CCCCOCCC(C)CCC d3bfeee91040f33f1e3d0a82abaae155 [0,3,0,0,0,0|0,0,1]=4 22132 B12R0.1 C=CCCCOCCC(S)CCC 7591c8d56393b8703d8d870783f6a61f [0,3,0,0,0,0|0,0,1]=4 22133 B12R0.1 C=CCN(C)CCOCCCCC 7ac6b43c00669df4009b7157c1de02c6 [0,3,0,0,0,0|0,0,1]=4 22134 B12R0.1 C=CCOCCOCC(C)CCC e78e1e2217635f304753f6d7770f1d50 [0,3,0,0,0,0|0,0,1]=4 22135 B12R0.1 C=CC[C@@H](C)OCCOCCCC 508097262774fab58aadf85bbc57dba3 [0,3,0,0,0,0|0,0,1]=4 22136 B12R0.1 C=CC[C@H](C)OCCOCCCC 47a93b0d8a6e8dfac89fdb9ef0dc4ae0 [0,3,0,0,0,0|0,0,1]=4 22137 B12R0.1 CC#CC(C)OCCOCCCC c3d99bf2e9454118d108abcb315f7fe1 [0,3,0,0,0,0|0,0,1]=4 22138 B12R0.1 CC#CCCCOCC(=O)CCC 6ad348d1ccbde0ec4aa3a553a98c28fd [0,3,0,0,0,0|0,0,1]=4 22139 B12R0.1 CC#CCCCOCC(C)CCC 4abbb3e2ba18ccb5c723ab9cc4b18ec6 [0,3,0,0,0,0|0,0,0]=3 22140 B12R0.1 CC#CCCCOC[C@@H](O)CCO 647c2ba4dfb01dd626beb2a860ddb8bb [0,3,0,0,0,0|0,0,1]=4 22141 B12R0.1 CC(CCO)CNCCCCCF 605b968da655e02db88014802622ff90 [0,3,0,0,0,0|1,0,0]=4 22142 B12R0.1 CC(CCO)CNCCCCCO bae5a4c34b51c64213693a6e60232d76 [0,3,0,0,0,0|1,0,0]=4 22143 B12R0.1 CC(CCO)NCCOCCCO 7b00595f09630a66efbfe37571525f66 [0,3,0,0,0,0|1,0,0]=4 22144 B12R0.1 CC/C=C/CCOCC(=O)CCC 41317b7200754cb3bcb4d021be103013 [0,3,0,0,0,0|0,0,1]=4 22145 B12R0.1 CC/C=C/CCOCC(C)CCC e77527eedeb493fdf856af5502965e55 [0,3,0,0,0,0|0,0,0]=3 22146 B12R0.1 CC/C=C/CCOC[C@@H](O)CCO 9948dd4478cc90b390862874d8bbd99e [0,3,0,0,0,0|0,0,1]=4 22147 B12R0.1 CC/C=C/COCCC(C)CCC 1566a93ff2f3a24a1a851735f7cf20e9 [0,3,0,0,0,0|0,0,1]=4 22148 B12R0.1 CC/C=C/COCCC(S)CCC bea497176eb523581a7a127bbdaa6c56 [0,3,0,0,0,0|0,0,1]=4 22149 B12R0.1 CC/C=C\CCCOC(C)CCC 5ef7e519bbdffd066a6111c99b3e12a5 [0,3,0,0,0,0|0,0,0]=3 22150 B12R0.1 CC/C=C\CCCOC(C)COC a2098f1b91c41d015b40807babc246a7 [0,3,0,0,0,0|1,0,0]=4 22151 B12R0.1 CC/C=C\CCNCC(O)CCC 08eb8a2018875c6fddc17f6ac92fb263 [0,3,0,0,0,0|1,0,0]=4 22152 B12R0.1 CC/C=C\CCOCC(=O)CCC e77a99429b63562e524ba646f33af3e8 [0,3,0,0,0,0|0,0,1]=4 22153 B12R0.1 CC/C=C\CCOCC(C)CCC 10f5057994ff4002418b173c9a8ffaba [0,3,0,0,0,0|0,0,0]=3 22154 B12R0.1 CC/C=C\CCOCC(C)COC 1a3dc3f44a4b0438a18896bb02c14606 [0,3,0,0,0,0|0,0,1]=4 22155 B12R0.1 CC/C=C\CCOCC(C)OCC 22abfcd68d8a7f4a1d66fc883c919d14 [0,3,0,0,0,0|0,0,1]=4 22156 B12R0.1 CC/C=C\CCOC[C@@H](C)COC 8f49f7a7ab314e7de1187a8feda277b1 [0,3,0,0,0,0|0,0,1]=4 22157 B12R0.1 CC/C=C\CCOC[C@@H](O)CCO b169ccbc48e91cfeed7bb53c821dc592 [0,3,0,0,0,0|0,0,1]=4 22158 B12R0.1 CC=C=CCCOCC(C)CCC d62302ce7e0cddb451e38d569c971733 [0,3,0,0,0,0|0,0,1]=4 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3b5ccdbb62616a16452fc20b85af1e1c [0,3,0,0,0,0|0,0,0]=3 22171 B12R0.1 CCC/C=C/COCC(C)COC 4d32d7a422ed8eb59a4a39a0e62be407 [0,3,0,0,0,0|0,0,1]=4 22172 B12R0.1 CCC/C=C/COCC(C)OCC 4bddac901e4a77f29699a9ac57432079 [0,3,0,0,0,0|0,0,1]=4 22173 B12R0.1 CCC/C=C/COC[C@@H](C)COC b63b58da2a423255847c278b86bff68c [0,3,0,0,0,0|0,0,1]=4 22174 B12R0.1 CCC/C=C/COC[C@@H](O)CCO 71b4702b34e4b764758ad3572396db04 [0,3,0,0,0,0|0,0,1]=4 22175 B12R0.1 CCC/C=C\CCOC(C)CCC 3e8eb0320d76528dd051739a2baab555 [0,3,0,0,0,0|0,0,0]=3 22176 B12R0.1 CCC/C=C\CCOC(C)COC 24fec06c43379011406f691faff4713a [0,3,0,0,0,0|1,0,0]=4 22177 B12R0.1 CCC/C=C\CNCC(O)CCC 2418e83077cea7bfe2afd6114886dff3 [0,3,0,0,0,0|1,0,0]=4 22178 B12R0.1 CCC/C=C\COCC(=O)CCC 9682ffcaf2963f81e9f6ab9b675efb5a [0,3,0,0,0,0|0,0,1]=4 22179 B12R0.1 CCC/C=C\COCC(C)CCC 010e9d5939a6cdcd2eae463813feab68 [0,3,0,0,0,0|0,0,0]=3 22180 B12R0.1 CCC/C=C\COCC(C)COC 13af994ad1b0c08333553c96dd0127d5 [0,3,0,0,0,0|0,0,1]=4 22181 B12R0.1 CCC/C=C\COCC(C)OCC 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[0,3,0,0,0,0|1,0,0]=4 22193 B12R0.1 CCCC(=O)CNCCCOCC cf9fcf9d37635fcff9d531b62f909ca2 [0,3,0,0,0,0|1,0,0]=4 22194 B12R0.1 CCCC(=O)COCCCCC#N 50e9842c9508261fa6bf8fe5f7c02a45 [0,3,0,0,0,0|0,0,1]=4 22195 B12R0.1 CCCC(=O)COCCCCC=O beee483473efcf814efdf8e12d1f3bc5 [0,3,0,0,0,0|0,0,1]=4 22196 B12R0.1 CCCC(=O)COCCCCOC ba578e6a6c514252c9ddc61095379cd7 [0,3,0,0,0,0|0,0,0]=3 22197 B12R0.1 CCCC(=O)COCCCCSC 7cdb96ea504df8ebab63f1a358d2a542 [0,3,0,0,0,0|0,0,0]=3 22198 B12R0.1 CCCC(=O)COCCCOCC fed4d5d75bd3f99aa8676ec331b92724 [0,3,0,0,0,0|0,0,0]=3 22199 B12R0.1 CCCC(=O)COCCCSCC 7d5fb2730485240bea48d27b70716ac1 [0,3,0,0,0,0|0,0,0]=3 22200 B12R0.1 CCCC(=O)COCCOCCF 5db5a8899a5055302e76b08bf72f90e8 [0,3,0,0,0,0|0,0,1]=4 22201 B12R0.1 CCCC(=O)COCCOCCS af540a90369ab986f9f00af090297fb9 [0,3,0,0,0,0|0,0,1]=4 22202 B12R0.1 CCCC(=O)NCCOCCCO 3af441fc06faa0d53d071c15c3164d39 [0,3,0,0,0,0|1,0,0]=4 22203 B12R0.1 CCCC(=O)NCCOCCOC 5f7704d0802a7a8cb7e0d0d4d8be69e8 [0,3,0,0,0,0|1,0,0]=4 22204 B12R0.1 CCCC(=O)OCCCCOCC 2c559d0f20616de60b366d3636c891e2 [0,3,0,0,0,0|0,0,1]=4 22205 B12R0.1 CCCC(=O)OCCCCOCF ba1d1216c8e2a634db89324c3f5866c5 [0,3,0,0,0,0|0,0,1]=4 22206 B12R0.1 CCCC(=O)OCCOCCCF b234e34ea43dd52044f3e1251ff8ac02 [0,3,0,0,0,0|0,0,1]=4 22207 B12R0.1 CCCC(=O)OCCOCCCS 04d3a0aeae05f6491c18579c7e9e21af [0,3,0,0,0,0|0,0,1]=4 22208 B12R0.1 CCCC(=O)OCCOCCOC ed0f9ea1316dd5a6071787d5822de049 [0,3,0,0,0,0|0,0,1]=4 22209 B12R0.1 CCCC(=O)OCCOCCSC 4a6acaebcc214d4229ad3c80859f336a [0,3,0,0,0,0|0,0,1]=4 22210 B12R0.1 CCCC(=O)OCCOCOCC 6d5ef10d715929e1d29eb564ac7bfec7 [0,3,0,0,0,0|0,0,1]=4 22211 B12R0.1 CCCC(=O)OCNCCCCCl aa9ead31f07eeee6fd68c65b495cfa9f [0,3,0,0,0,0|0,0,1]=4 22212 B12R0.1 CCCC(=O)OCNCCCCO ff5940adb29bb9f09119af6d66f97f56 [0,3,0,0,0,0|0,0,1]=4 22213 B12R0.1 CCCC(=O)OCNCCCCS 238b95922285eb39ae28dbf210e5932e [0,3,0,0,0,0|0,0,1]=4 22214 B12R0.1 CCCC(=O)OCNCCCOC 2956cc7073ac5805bc005d551df2955c [0,3,0,0,0,0|0,0,1]=4 22215 B12R0.1 CCCC(=O)OCNCCCSC 02825bf5fdb94d427a5e04111fd5df06 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CCCSCCOCC(=O)CCC 4b4ffe88268892e120ab14ac3bb5a682 [0,3,0,0,0,0|0,0,0]=3 22458 B12R0.1 CCCSCCOCC(=O)COC 7c182db9c19d397159abdbf53a9a3da7 [0,3,0,0,0,0|0,0,1]=4 22459 B12R0.1 CCCSCCOCC(=O)NCC 5e796b86b04124487836ef1505c77cbd [0,3,0,0,0,0|0,0,1]=4 22460 B12R0.1 CCCSCCOCC(=O)OCC 7dc809704e5077e6bd03885f18e6a5e7 [0,3,0,0,0,0|0,0,1]=4 22461 B12R0.1 CCCSCCOCC(C)CCC 0f38ee60d65cbfc7082d8619f50e3682 [0,3,0,0,0,0|0,0,0]=3 22462 B12R0.1 CCCSCCOC[C@@H](O)CCO b9dd4bd8cbb7308384ba073b6786b3cb [0,3,0,0,0,0|0,0,0]=3 22463 B12R0.1 CCC[C@@H](C)OCCCCCC#N cf9c25421651378ed11f2dcf5622e083 [0,3,0,0,0,0|0,0,0]=3 22464 B12R0.1 CCC[C@@H](C)OCCCCCC=O f770c8eb3aa45310790cd017216e2c2b [0,3,0,0,0,0|0,0,0]=3 22465 B12R0.1 CCC[C@@H](C)OCCCCCCF 73f9e3cb11e58a72a05b21528f02d3cf [0,3,0,0,0,0|0,0,0]=3 22466 B12R0.1 CCC[C@@H](C)OCCCCCOC 55a29f1ba9a0db3b9df4b29a5fa4cb4d [0,3,0,0,0,0|0,0,0]=3 22467 B12R0.1 CCC[C@@H](C)OCCOCCOC e479e7b4c991e1a415ce31fb0c04852e [0,3,0,0,0,0|0,0,0]=3 22468 B12R0.1 CCC[C@H](C)NCCCCCC#N 4cfc3e431f5b89c10e50bb945ecd6c54 [0,3,0,0,0,0|1,0,0]=4 22469 B12R0.1 CCC[C@H](C)NCCCCCC=O a7ca7541913de7ff870b2acebfb76345 [0,3,0,0,0,0|1,0,0]=4 22470 B12R0.1 CCC[C@H](C)NCCCCCCF 6a5a65ebffc27fb6eb9b49a61354c173 [0,3,0,0,0,0|1,0,0]=4 22471 B12R0.1 CCC[C@H](C)NCCCCCCO 95cf150ebeaa740ee7c0fa733b24a938 [0,3,0,0,0,0|1,0,0]=4 22472 B12R0.1 CCC[C@H](C)NCCCCCOC 3ac36a2d1861625f107e510bc44c0465 [0,3,0,0,0,0|1,0,0]=4 22473 B12R0.1 CCC[C@H](C)NCCOCCOC fdfff153fe0563f5fbad7caafcbb422a [0,3,0,0,0,0|1,0,0]=4 22474 B12R0.1 CCC[C@H](C)OCCCCCC#N c063771324c3b7a343e28d0e581916a3 [0,3,0,0,0,0|0,0,0]=3 22475 B12R0.1 CCC[C@H](C)OCCCCCC=O de386838f6c321df5487df4d619ca3f3 [0,3,0,0,0,0|0,0,0]=3 22476 B12R0.1 CCC[C@H](C)OCCCCCCF 4ab5ce540c26f5580bb72fd91f35c0c9 [0,3,0,0,0,0|0,0,0]=3 22477 B12R0.1 CCC[C@H](C)OCCCCCOC bd777b74b05484127bf9c2a6f7239667 [0,3,0,0,0,0|0,0,0]=3 22478 B12R0.1 CCC[C@H](C)OCCOCCOC 3c67f3640a29f6cef867afe8139fd2e9 [0,3,0,0,0,0|0,0,0]=3 22479 B12R0.1 CCNC(=O)CCOCCCCF 7758b300a8dc63e72e1be815e4d0fcdd [0,3,0,0,0,0|0,0,1]=4 22480 B12R0.1 CCNC(=O)CCOCCCCS a41f4161f798e71d5c28403ef9a43480 [0,3,0,0,0,0|0,0,1]=4 22481 B12R0.1 CCNC(=O)CCOCCCOC c20853eefc7b5885ed125b4aff2f1ebf [0,3,0,0,0,0|0,0,1]=4 22482 B12R0.1 CCNC(=O)CCOCCCSC 7545d2c27ad92372a3b8e364cb6025c4 [0,3,0,0,0,0|0,0,1]=4 22483 B12R0.1 CCNC(=O)CCOCCOCC a73d0cda05d4bb973d81fb08c30a9f22 [0,3,0,0,0,0|0,0,1]=4 22484 B12R0.1 CCNC(=O)CCOCCSCC 5a7d54c0753d226d72c48250185755fe [0,3,0,0,0,0|0,0,1]=4 22485 B12R0.1 CCNC(=O)COCCCCCF 609b3c5af59cc90b23f9aeb18d94df6a [0,3,0,0,0,0|0,0,1]=4 22486 B12R0.1 CCNC(=O)COCCCCOC 0b87d37a63838c1abb2f7d58fb108115 [0,3,0,0,0,0|0,0,1]=4 22487 B12R0.1 CCNC(=O)COCCCCSC 6e07c1e16a8d3bf726ff8274fbd42547 [0,3,0,0,0,0|0,0,1]=4 22488 B12R0.1 CCNC(=O)COCCCOCC d4a864bc2c0489bc98237b5e00175671 [0,3,0,0,0,0|0,0,1]=4 22489 B12R0.1 CCNC(=O)COCCCSCC 5eb2127228c39061dbfe765affd1a332 [0,3,0,0,0,0|0,0,1]=4 22490 B12R0.1 CCOC(=O)CCCOCCCF 18055ed7b12edc2c59bcc3a1b2c4e39c [0,3,0,0,0,0|1,0,0]=4 22491 B12R0.1 CCOC(=O)CCCOCCCS 06a73bfdffca91f9d2ddcaba97c65005 [0,3,0,0,0,0|1,0,0]=4 22492 B12R0.1 CCOC(=O)CCCOCCOC c6bbb3af434e4932405a90a539d6fd1e [0,3,0,0,0,0|1,0,0]=4 22493 B12R0.1 CCOC(=O)CCCOCCSC b467d2b72cbc91d5af563aefef89a648 [0,3,0,0,0,0|1,0,0]=4 22494 B12R0.1 CCOC(=O)CCOCCCCF 845b9f4baad220d649650cb6ef4122d8 [0,3,0,0,0,0|0,0,1]=4 22495 B12R0.1 CCOC(=O)CCOCCCCS 0a678323e56139b45f25ecdacb30ea27 [0,3,0,0,0,0|0,0,1]=4 22496 B12R0.1 CCOC(=O)CCOCCCOC 1c379ce02e6ffb355bfc63c8a50f9154 [0,3,0,0,0,0|0,0,1]=4 22497 B12R0.1 CCOC(=O)CCOCCCSC eefce61021aa13c0e72f9dfb18c21fef [0,3,0,0,0,0|0,0,1]=4 22498 B12R0.1 CCOC(=O)CCOCCSCC cab2b12e6ec141bfa9b15b8597080856 [0,3,0,0,0,0|0,0,1]=4 22499 B12R0.1 CCOC(=O)COCCCCCF 50c7fa072831b49b3af2edaf08d4c8a4 [0,3,0,0,0,0|0,0,1]=4 22500 B12R0.1 CCOC(=O)COCCCCOC 4ccc51ace4bb9ca789adb9a045234d9f [0,3,0,0,0,0|0,0,1]=4 22501 B12R0.1 CCOC(=O)COCCCCSC 2e64cc00939356121bac05eacf564071 [0,3,0,0,0,0|0,0,1]=4 22502 B12R0.1 CCOC(=O)COCCCSCC 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B12R0.1 CCOC(C)COCOCCOC b208ef6175014ed5d56cc998ded89c7e [0,3,0,0,0,0|1,0,0]=4 22515 B12R0.1 CCOCCCNCC(C)CCO c3a4206d1939e229968348d84b8ad4b2 [0,3,0,0,0,0|1,0,0]=4 22516 B12R0.1 CCOCCCNCC(C)OCC 9f892d339b0e19a68bf285d3d4aadb08 [0,3,0,0,0,0|1,0,0]=4 22517 B12R0.1 CCOCCCNCC(O)COC 5ae4fc8b6364508a833d6baf37284a4f [0,3,0,0,0,0|1,0,0]=4 22518 B12R0.1 CCOCCCNC[C@@H](O)CCO acd724861d9335feec06899f56353c12 [0,3,0,0,0,0|1,0,0]=4 22519 B12R0.1 CCOCCCNC[C@H](O)COC 465f87ab3ded6eb02c4bcd90194208ae [0,3,0,0,0,0|1,0,0]=4 22520 B12R0.1 CCOCCCOCC(=O)COC 47bc5ccd3420fa54e86f9cd5fd1e695c [0,3,0,0,0,0|0,0,1]=4 22521 B12R0.1 CCOCCCOCC(=O)OCC 5076ceeeee32075b701b383adc26b88e [0,3,0,0,0,0|0,0,1]=4 22522 B12R0.1 CCOCCCOCC(C)COC 584f0c60b1fc478de4343266f8358554 [0,3,0,0,0,0|0,0,0]=3 22523 B12R0.1 CCOCCCOCC(C)OCC 0458282b12daa6f9da69ee1e7ee1ab7d [0,3,0,0,0,0|0,0,0]=3 22524 B12R0.1 CCOCCCOC[C@@H](C)COC 33ee5f0c8aa28304bf4c37b77c179247 [0,3,0,0,0,0|0,0,0]=3 22525 B12R0.1 CCOCCCOC[C@@H](O)CCO 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12338a6820af585766c206f2f3896dc1 [0,3,0,0,0,0|1,0,0]=4 22549 B12R0.1 COCC(O)CNCCCCCO 72970cbc00e15bfee63c998858e56a89 [0,3,0,0,0,0|1,0,0]=4 22550 B12R0.1 COCC(O)CNCCCCSC 84640e50c23194367ce97012ccbd838a [0,3,0,0,0,0|1,0,0]=4 22551 B12R0.1 COCCCCCOC(C)COC 728729fbe76cf7d0bb2e637773c9cbeb [0,3,0,0,0,0|1,0,0]=4 22552 B12R0.1 COCCCCCOC(C)CSC 8e1b294f0aa90cd3e8f8242da01cad58 [0,3,0,0,0,0|1,0,0]=4 22553 B12R0.1 COCCCCCO[C@@H](C)COC 28ef7be8a0a54b61519cb7f508306417 [0,3,0,0,0,0|1,0,0]=4 22554 B12R0.1 COCCCCCO[C@H](C)COC a4364ddf07ca9465dab05bd4599a0790 [0,3,0,0,0,0|1,0,0]=4 22555 B12R0.1 COCCCCNCC(C)CCO 576034e19752fd03567ad98b7b231941 [0,3,0,0,0,0|1,0,0]=4 22556 B12R0.1 COCCCCNCC(O)COC b44415262e1da523708e85a39fa21a3d [0,3,0,0,0,0|1,0,0]=4 22557 B12R0.1 COCCCCNC[C@@H](O)CCO a71941823f1844a32824d1c0540c0c73 [0,3,0,0,0,0|1,0,0]=4 22558 B12R0.1 COCCCCNC[C@H](O)COC c228db2d057f29c6f20d12d9db0fc7ba [0,3,0,0,0,0|1,0,0]=4 22559 B12R0.1 COCCCCOCC(=O)COC 863c08947f65c4bdba2b82e33412ad6c [0,3,0,0,0,0|0,0,1]=4 22560 B12R0.1 COCCCCOCC(C)COC d5873f90cd648bbe98e8904beea27034 [0,3,0,0,0,0|0,0,0]=3 22561 B12R0.1 COCCCCOC[C@@H](C)COC bbef4d6a1419a81d0e31497eaa0a8c74 [0,3,0,0,0,0|0,0,0]=3 22562 B12R0.1 COCCCCOC[C@@H](O)CCO 520ca96e4c08c3295d9ce1f5ea8113e4 [0,3,0,0,0,0|0,0,0]=3 22563 B12R0.1 COCCOCCCN(C)CCF 8b78480a34aeca6e5354bbd951f9cc75 [0,3,0,0,0,0|1,0,0]=4 22564 B12R0.1 COCCOCCCN(C)CCO 99360e2783a03be92dc84967d52330ba [0,3,0,0,0,0|1,0,0]=4 22565 B12R0.1 COCCOCCNC(C)CCO 97e10d06e1dc11e08f6028868b9f2adf [0,3,0,0,0,0|1,0,0]=4 22566 B12R0.1 COCCOCCNC(C)COC 12edd827ee11bde443cf0581e33119c7 [0,3,0,0,0,0|1,0,0]=4 22567 B12R0.1 COCCOCCN[C@@H](C)CCO e3587f56f57c0d23e9c630e4abe132a8 [0,3,0,0,0,0|1,0,0]=4 22568 B12R0.1 COCCOCCN[C@@H](C)COC 8aaecde8779cf08ec33765cfb600e1af [0,3,0,0,0,0|1,0,0]=4 22569 B12R0.1 COCCOCCN[C@H](C)CCO bff470fe8c0e39a494c1b844870fa742 [0,3,0,0,0,0|1,0,0]=4 22570 B12R0.1 COCCOCCN[C@H](C)COC 3c98fa104f36689c15fc9bd73bd5772e [0,3,0,0,0,0|1,0,0]=4 22571 B12R0.1 COCCOCCOC(C)COC 5db741ba7dc634ddbc876196847efdb4 [0,3,0,0,0,0|1,0,0]=4 22572 B12R0.1 COCCOCCOC(C)CSC 23447357501f9a0edcdc6c97a3e75462 [0,3,0,0,0,0|1,0,0]=4 22573 B12R0.1 COCCOCCO[C@@H](C)COC 246f98ccc72d9bc998aa790b69b226d0 [0,3,0,0,0,0|1,0,0]=4 22574 B12R0.1 COCCOCCO[C@H](C)COC 7fc711ee6329d8e6bd449e2a7132dc0e [0,3,0,0,0,0|1,0,0]=4 22575 B12R0.1 COCCOCNCC(C)CCO fcdb7cecf2e5c07136a85f931362aa84 [0,3,0,0,0,0|1,0,0]=4 22576 B12R0.1 COCCOCNCC(O)COC c52b36501013d9953869d48a68d7bdda [0,3,0,0,0,0|1,0,0]=4 22577 B12R0.1 COCCOCNC[C@H](O)COC 691e7b03ee68f30787c45473267124fd [0,3,0,0,0,0|1,0,0]=4 22578 B12R0.1 COCOCCOCC(C)COC ade0ac5a421c4e09391ff65d979197d6 [0,3,0,0,0,0|1,0,0]=4 22579 B12R0.1 COCOCCOC[C@@H](C)COC f5d74acf744f7b9fe782aa8088f7e57d [0,3,0,0,0,0|1,0,0]=4 22580 B12R0.1 COC[C@@H](C)OCCCCCC#N ab86113ccca8d3242fbedb1b79685847 [0,3,0,0,0,0|1,0,0]=4 22581 B12R0.1 COC[C@@H](C)OCCCCCC=O ad0394a7c16d752c99fa3f35ac074d08 [0,3,0,0,0,0|1,0,0]=4 22582 B12R0.1 COC[C@@H](C)OCCCCCCF 381a2c152ced25efd410f1e8eacba0c9 [0,3,0,0,0,0|1,0,0]=4 22583 B12R0.1 COC[C@@H](O)CNCCCCCF a153be39140e7ee97453e1c8db90b50b [0,3,0,0,0,0|1,0,0]=4 22584 B12R0.1 COC[C@@H](O)CNCCCCCO 0d2da83d1f298a7f2d62503afae808f2 [0,3,0,0,0,0|1,0,0]=4 22585 B12R0.1 COC[C@H](C)COCCCCC#N 8e7f76ff30bc63c906881292f9378db9 [0,3,0,0,0,0|0,0,1]=4 22586 B12R0.1 COC[C@H](C)COCCCCC=O a0d4cb7b1a7887c825eb8adbb4b1e1ce [0,3,0,0,0,0|0,0,1]=4 22587 B12R0.1 COC[C@H](C)OCCCCCC#N 1eb11480cb186eb7389058cbe5fc38c8 [0,3,0,0,0,0|1,0,0]=4 22588 B12R0.1 COC[C@H](C)OCCCCCC=O 0f44da7589c4a0ab0942f0ec07b433e3 [0,3,0,0,0,0|1,0,0]=4 22589 B12R0.1 COC[C@H](C)OCCCCCCF 3d7ccb7fd2713239c671b3aa2a9f4f91 [0,3,0,0,0,0|1,0,0]=4 22590 B12R0.1 CSCC(C)OCCCCCC#N 85d20dc31aa18858373bf9537fb85202 [0,3,0,0,0,0|1,0,0]=4 22591 B12R0.1 CSCC(C)OCCCCCC=O 21c959993251589d66d2d88ed933956a [0,3,0,0,0,0|1,0,0]=4 22592 B12R0.1 CSCC(C)OCCCCCCF aaceead665410f7727b1637dfc0543c9 [0,3,0,0,0,0|1,0,0]=4 22593 B12R0.1 CSCCCCNC[C@@H](O)CCO d69249f3411114cc31fffdd8d04c3e8e [0,3,0,0,0,0|1,0,0]=4 22594 B12R0.1 CSCCCCOC[C@@H](O)CCO 5ff772cb41eb94f30069f59afe0042bd [0,3,0,0,0,0|0,0,0]=3 22595 B12R0.1 N#CCCCCOC[C@@H](O)CCO 65f4632e045a0d24289f3b4347d3b46e [0,3,0,0,0,0|0,0,1]=4 22596 B12R0.1 O=CCCCCOC[C@@H](O)CCO fa2ff59c7bf61b6464b2b20e02864341 [0,3,0,0,0,0|0,0,1]=4 22597 B12R0.1 OCCCCCNC[C@@H](O)CCO 4e0b4ba6ccea923a8a07554dd1fd4c2d [0,3,0,0,0,0|1,0,0]=4 22598 B12R0.1 OCC[C@H](O)CNCCCCCCl 31d25ce656155b1aa1647f652f9dd0bd [0,3,0,0,0,0|1,0,0]=4 22599 B12R0.1 OCC[C@H](O)COCCOCCF a641b99a880a96b7f13445f6fc6a583a [0,3,0,0,0,0|1,0,0]=4 22600 B12R0.1 OCC[C@H](O)COCCOCCS a4e0385423527bc4ac7358f83ae183b3 [0,3,0,0,0,0|1,0,0]=4 22601 B12R0.49 C#CCCCCOC(C)C(C)CC aa32056fbcf021020fb65f0fd88b9141 [0,3,0,0,0,0|0,0,1]=4 22602 B12R0.49 C#CCCCOCC(C)C(S)CC c7d46d71cb83f8bb0fe8513cdee2617d [0,3,0,0,0,0|0,0,1]=4 22603 B12R0.49 C/C=C\CCCOC(C)C(C)CC 6cd6852de12c46a476395e3a904a8fae [0,3,0,0,0,0|0,0,1]=4 22604 B12R0.49 C=CCCCCOC(C)C(C)CC b380964a717b3bcee99117c5e9ef6b2e [0,3,0,0,0,0|0,0,1]=4 22605 B12R0.49 C=CCCCOCC(C)C(S)CC 66b9f05dfbe0dd2ea6857d96f5bc3bb2 [0,3,0,0,0,0|0,0,1]=4 22606 B12R0.49 C=C[C@@H](C)[C@@H](C)OCOCCCC 9a48668800b953603c3574b3865e2c97 [0,3,0,0,0,0|1,0,0]=4 22607 B12R0.49 C=C[C@@H](C)[C@H](C)OCOCCCC 749ed2f71377ac56ba74a317d50fe939 [0,3,0,0,0,0|1,0,0]=4 22608 B12R0.49 C=C[C@H](C)[C@@H](C)OCOCCCC 60a9a030d357bdddee4d504531e78661 [0,3,0,0,0,0|1,0,0]=4 22609 B12R0.49 C=C[C@H](C)[C@H](C)OCOCCCC bca61ebd3bfd0d25695ffe86047ccfca [0,3,0,0,0,0|1,0,0]=4 22610 B12R0.49 CC/C=C/COCC(C)C(S)CC 2f9a57fa32ce078beea85e00f85b7713 [0,3,0,0,0,0|0,0,1]=4 22611 B12R0.49 CC/C=C\CCOC(C)C(C)CC f98fb203244e837a33b89039158f6a4a [0,3,0,0,0,0|0,0,1]=4 22612 B12R0.49 CCC(=O)C(C)OCCCCOC 84d17617cffa599e081ba6df4b5406b1 [0,3,0,0,0,0|0,0,1]=4 22613 B12R0.49 CCC(=O)C(C)OCCCCSC ae8bb9f98754ffff61652692112d4f32 [0,3,0,0,0,0|0,0,1]=4 22614 B12R0.49 CCC(C)C(=O)COCCCCF 4ab2a4a3ff488c26f7ad8c03c8fe5960 [0,3,0,0,0,0|0,0,1]=4 22615 B12R0.49 CCC(C)C(=O)COCCCCS 8c0b1de4841bd3f4bcbddb446993fa5d [0,3,0,0,0,0|0,0,1]=4 22616 B12R0.49 CCC(C)C(=O)COCCCOC 9732dae20017e276cf3678e69f6679e1 [0,3,0,0,0,0|0,0,1]=4 22617 B12R0.49 CCC(C)C(=O)COCCCSC 4c47f52aeeb27560bba8c07c6ccc47e2 [0,3,0,0,0,0|0,0,1]=4 22618 B12R0.49 CCC(C)C(C)NCCCCCF 28d1d6c1c2ccb7217f501fec9768ed79 [0,3,0,0,0,0|1,0,0]=4 22619 B12R0.49 CCC(C)C(C)NCCCCCO 59b87b61d310dedb754dc089a7ad1ae5 [0,3,0,0,0,0|1,0,0]=4 22620 B12R0.49 CCC(C)C(C)NCCCCOC 9d2c455e964e184b161b1dec17c6eadb [0,3,0,0,0,0|1,0,0]=4 22621 B12R0.49 CCC(C)C(C)NCOCCOC e292b1664a9d8d988efa4b56bb1a082f [0,3,0,0,0,0|1,0,0]=4 22622 B12R0.49 CCC(C)C(C)OCCCCC#N d2f48d0e3397c9a8e51554a891508a41 [0,3,0,0,0,0|0,0,1]=4 22623 B12R0.49 CCC(C)C(C)OCCCCC=O 405df4a612872aa33c4318cfb65bb93f [0,3,0,0,0,0|0,0,1]=4 22624 B12R0.49 CCC(C)C(C)OCCCCCF 700e11bfacae2032bf07a62e0a725f8e [0,3,0,0,0,0|0,0,0]=3 22625 B12R0.49 CCC(C)C(C)OCCCCOC d764f121d436b5b73dd1e495d1bf4f48 [0,3,0,0,0,0|0,0,0]=3 22626 B12R0.49 CCC(C)C(C)OCCOCOC 6c0af817d6057fd5c63d53f1b2d9a8c8 [0,3,0,0,0,0|1,0,0]=4 22627 B12R0.49 CCC(C)C(C)OCOCCOC dcd17e9dec1d470d296edcc89227d13b [0,3,0,0,0,0|1,0,0]=4 22628 B12R0.49 CCC(C)N(C)CCOCCOC 3fa7f456a2b73aeb63d0fd9bcf0b7bb2 [0,3,0,0,0,0|1,0,0]=4 22629 B12R0.49 CCC(S)C(C)COCCCC#N c2f9d821fb51104f8d25fdd4f9679aa9 [0,3,0,0,0,0|0,0,1]=4 22630 B12R0.49 CCC(S)C(C)COCCCC=O d96b73421de63f0c297bfd7be3cceccf [0,3,0,0,0,0|0,0,1]=4 22631 B12R0.49 CCC(S)C(C)COCCCCF a28c9665816ae90adb79a8e8e81ca170 [0,3,0,0,0,0|0,0,0]=3 22632 B12R0.49 CCC(S)C(C)COCCCOC 2247c7e8b406e89b23c96cc60181c1ed [0,3,0,0,0,0|0,0,0]=3 22633 B12R0.49 CCC(S)C(C)COCCCSC c36f54e355152f11817bccd043ec8ce4 [0,3,0,0,0,0|0,0,0]=3 22634 B12R0.49 CCC/C=C/COC(C)C(C)CC ca7567390eec7a176d305f122300dfa0 [0,3,0,0,0,0|0,0,1]=4 22635 B12R0.49 CCC/C=C\COC(C)C(C)CC 5ad423fb07253539d5a8294f63496a41 [0,3,0,0,0,0|0,0,1]=4 22636 B12R0.49 CCCCCCCN(C)C(C)CC 0647a36374c0995af2657bc5e31cac63 [0,3,0,0,0,0|1,0,0]=4 22637 B12R0.49 CCCCCCNC(C)C(C)CC 83716d2ad7b09b3564c794306511f47a [0,3,0,0,0,0|1,0,0]=4 22638 B12R0.49 CCCCCCOC(C)C(=O)CC 77eb954fa0eab347b81b442736d1a06d [0,3,0,0,0,0|0,0,1]=4 22639 B12R0.49 CCCCCCOC(C)C(C)CC 630ae98cf26b58ae6dbb94ab711c8595 [0,3,0,0,0,0|0,0,0]=3 22640 B12R0.49 CCCCCCOC(C)C(C)OC d1b7b41c7c9f556abf4fdb68c1f923a1 [0,3,0,0,0,0|1,0,0]=4 22641 B12R0.49 CCCCCNCC(=O)C(C)CC 1e86c410e39631c2b0331ebc112f9c4c [0,3,0,0,0,0|1,0,0]=4 22642 B12R0.49 CCCCCOCC(=O)C(C)CC 4d387cda75bd197376ebdf1746c2cdde [0,3,0,0,0,0|0,0,0]=3 22643 B12R0.49 CCCCCOCC(=O)N(C)CC b4587369bbc7aa98f99a1e98e6647ea9 [0,3,0,0,0,0|0,0,1]=4 22644 B12R0.49 CCCCCOCC(C)C(=O)OC 22f278e96a28e8e47c519d192f960c7c [0,3,0,0,0,0|0,0,1]=4 22645 B12R0.49 CCCCCOCC(C)C(S)CC 2067ddebbfc800bfc113edc12697ac5f [0,3,0,0,0,0|0,0,0]=3 22646 B12R0.49 CCCCCOCC(C)N(C)CC 78b46c6d72622dc73d96ec8451f4b759 [0,3,0,0,0,0|0,0,0]=3 22647 B12R0.49 CCCCCOCC(F)C(=O)OC a7534166087c980ffe4ae88ab10904f9 [0,3,0,0,0,0|0,0,1]=4 22648 B12R0.49 CCCCCOC[C@@H](C)C(=O)OC 75a87e9f5549461824d47f0775cfdfbf [0,3,0,0,0,0|0,0,1]=4 22649 B12R0.49 CCCCCOC[C@@H](C)N(C)CC 4b17c3dd4a072b0a6b18385d7a392d2b [0,3,0,0,0,0|0,0,0]=3 22650 B12R0.49 CCCCCOC[C@H](C)C(=O)OC 2763b1855818bf44166b57fa0e3d6680 [0,3,0,0,0,0|0,0,1]=4 22651 B12R0.49 CCCCCOC[C@H](C)N(C)CC 0d1666a2bdb17c425fb97d2e5828b72f [0,3,0,0,0,0|0,0,0]=3 22652 B12R0.49 CCCCNCCC(C)N(C)CC 84accfff8af90a485f1958271c1d2347 [0,3,0,0,0,0|1,0,0]=4 22653 B12R0.49 CCCCNCCN(C)C(C)CC 5920b0bf82e0a9710039f19509c1c474 [0,3,0,0,0,0|1,0,0]=4 22654 B12R0.49 CCCCOCCC(=O)N(C)CC 3239239163c912dd00ed16a547a35a0d [0,3,0,0,0,0|0,0,1]=4 22655 B12R0.49 CCCCOCCC(C)C(=O)OC 179edb09d1bf706674a70c2a5ddb7fcc [0,3,0,0,0,0|0,0,1]=4 22656 B12R0.49 CCCCOCCN(C)C(C)CC 62a2e13c19696e213aafcce7499cd789 [0,3,0,0,0,0|0,0,0]=3 22657 B12R0.49 CCCCOCCN(C)C(C)CO 6ce003c2669e438916bb7252f6646249 [0,3,0,0,0,0|1,0,0]=4 22658 B12R0.49 CCCCOCCN(C)[C@@H](C)CO 689dbbab7d5fb1109f1983ea5e5349ed [0,3,0,0,0,0|1,0,0]=4 22659 B12R0.49 CCCCOCCN(C)[C@H](C)CO 680ba10e5074b3ef30cd2764d6e1a232 [0,3,0,0,0,0|1,0,0]=4 22660 B12R0.49 CCCCOCNC(C)C(C)CC bbf9c94484824a04c0c1d1c928de464d [0,3,0,0,0,0|0,0,0]=3 22661 B12R0.49 CCCCOCOC(C)C(C)CC 192f69cd6d06ae3481bbadb2cef2f1ca [0,3,0,0,0,0|0,0,0]=3 22662 B12R0.49 CCCCOCOC(C)C(C)OC 401f143c11d4c4b2d55783dcb9c3169c [0,3,0,0,0,0|1,0,0]=4 22663 B12R0.49 CCCOCCNC(C)C(C)CC a9c202715a5d470814ac1807d68c4166 [0,3,0,0,0,0|1,0,0]=4 22664 B12R0.49 CCCOCCOC(C)C(=O)CC e50b1f4dab253ae67d4aba39f900903c [0,3,0,0,0,0|0,0,1]=4 22665 B12R0.49 CCCOCCOC(C)C(C)CC 0031d513f26ba6a645d242bbd3f5cfd2 [0,3,0,0,0,0|0,0,0]=3 22666 B12R0.49 CCCOCCOC(C)C(C)OC 6d642a964ab1231ecadb1151d960033a [0,3,0,0,0,0|1,0,0]=4 22667 B12R0.49 CCCSCCOC(C)C(=O)CC 53a2bc45f4832173ab7e500053d4788b [0,3,0,0,0,0|0,0,1]=4 22668 B12R0.49 CCN(C)C(C)COCCCCF 8a9cee372005db5b3e674dcfcf95f6a9 [0,3,0,0,0,0|1,0,0]=4 22669 B12R0.49 CCN(C)C(C)COCCCOC d2b7cf02e6ab95dd2b024400cc1617fb [0,3,0,0,0,0|1,0,0]=4 22670 B12R0.49 CCN(C)C(C)COCCCSC ddf80447046c8bfbcbeb3c965d3d6b1e [0,3,0,0,0,0|1,0,0]=4 22671 B12R0.49 CCN(C)[C@@H](C)COCCCCF 1daa1582dd56390053771dd257f42245 [0,3,0,0,0,0|1,0,0]=4 22672 B12R0.49 CCN(C)[C@@H](C)COCCCOC 4107381225c9fdae5eed5c5677e05111 [0,3,0,0,0,0|1,0,0]=4 22673 B12R0.49 CCN(C)[C@@H](C)COCCCSC f202b8cda4977e3bf016db7f6bcebd85 [0,3,0,0,0,0|1,0,0]=4 22674 B12R0.49 CCN(C)[C@H](C)COCCCCF e78a3562865d7f90f37ed9b5fb7f1c78 [0,3,0,0,0,0|1,0,0]=4 22675 B12R0.49 CCN(C)[C@H](C)COCCCOC 2c53b36c965c82a7a3c5982964bbbf46 [0,3,0,0,0,0|1,0,0]=4 22676 B12R0.49 CCN(C)[C@H](C)COCCCSC d4acf8b1eb95c716bbb4ba555e83f343 [0,3,0,0,0,0|1,0,0]=4 22677 B12R0.49 CCOCCCNC(C)C(C)CC dc7c49ca05346c17c41eff36b4d000fc [0,3,0,0,0,0|1,0,0]=4 22678 B12R0.49 CCOCCCOC(C)C(=O)CC 23020174504efa541a788e073e2ecc8e [0,3,0,0,0,0|0,0,1]=4 22679 B12R0.49 CCOCCCOC(C)C(C)CC 2d9d756fb7800731d6ad9aa749a536d9 [0,3,0,0,0,0|0,0,0]=3 22680 B12R0.49 CCOCCCOC(C)C(C)OC 1a0431827c00088480144571d560f915 [0,3,0,0,0,0|1,0,0]=4 22681 B12R0.49 CCOCCOCC(=O)C(C)CC 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7405400a7d6a1f3c2adad61a9e7a1d66 [0,3,0,0,0,0|1,0,0]=4 22693 B12R0.49 CCSCCOC[C@@H](C)N(C)CC 158f9c49096e07558d01cb738dfc57a1 [0,3,0,0,0,0|1,0,0]=4 22694 B12R0.49 CCSCCOC[C@H](C)N(C)CC 20ea8e3fa970d50d85c21c0574477a1b [0,3,0,0,0,0|1,0,0]=4 22695 B12R0.49 COC(C)C(C)OCCCCCF 2fb9f9ad3450073c84b1dc82cdacc82c [0,3,0,0,0,0|1,0,0]=4 22696 B12R0.49 COCCCCOC(C)C(C)OC 49903048f710dfee0b2f58a6d82322c1 [0,3,0,0,0,0|1,0,0]=4 22697 B12R0.101 C=CCC(C)COC(C)CCCC 99b92cf2afc6a937bed7aa91baafcf99 [0,3,0,0,0,0|0,0,1]=4 22698 B12R0.101 C=CCC(C)CO[C@@H](C)CCCC df4183c375c07cd5e82ab3d9c9d341f5 [0,3,0,0,0,0|0,0,1]=4 22699 B12R0.101 C=CCC(C)CO[C@H](C)CCCC 247096118c1a5038d61a0cb2ec9f956c [0,3,0,0,0,0|0,0,1]=4 22700 B12R0.101 C=CCCC(C)OCC(C)CCC fde2ed1ced7e21ba4d883af86bff2089 [0,3,0,0,0,0|0,0,1]=4 22701 B12R0.101 C=CCC[C@@H](C)OCC(C)CCC 6d81b0b8e9d2db3281684584ddf35add [0,3,0,0,0,0|0,0,1]=4 22702 B12R0.101 CCC#CC(C)OCC(C)CCC a0e3fa821eb5f61e8e4214d0a04b6755 [0,3,0,0,0,0|0,0,1]=4 22703 B12R0.101 CCCC(=O)COC(C)CCOC 4681545122255474c8094be9f229bd36 [0,3,0,0,0,0|0,0,1]=4 22704 B12R0.101 CCCC(=O)COC(C)COCC e4b0159e7a9f57dab16633647afc081f [0,3,0,0,0,0|0,0,1]=4 22705 B12R0.101 CCCC(C)CNC(C)CCCO 12f2a8d8c6c2a7bd3d6acc3ff15e859f [0,3,0,0,0,0|1,0,0]=4 22706 B12R0.101 CCCC(C)CN[C@H](C)CCCO c2b942ef36f1c194d31b8eccc8ad9c73 [0,3,0,0,0,0|1,0,0]=4 22707 B12R0.101 CCCC(C)COC(C)CCC#N 00c821683ab9483119bcee30f0731712 [0,3,0,0,0,0|0,0,1]=4 22708 B12R0.101 CCCC(C)COC(C)CCOC 4bf9f97290d43f2e95c5399c84f17d1a [0,3,0,0,0,0|0,0,0]=3 22709 B12R0.101 CCCC(C)COC(C)CCSC 12f58d2db1bd120447f27981b2a0f112 [0,3,0,0,0,0|0,0,0]=3 22710 B12R0.101 CCCC(C)COC(C)COCC 5cbbdd884968ab73a2e4b9ed69d32665 [0,3,0,0,0,0|0,0,0]=3 22711 B12R0.101 CCCC(C)NCC(O)COCC 30dc9a51fd694f3edcbe14c3713644bc [0,3,0,0,0,0|1,0,0]=4 22712 B12R0.101 CCCC(C)NC[C@H](C)CCCO 0338ecdcdd71f2f5048dcc8e2f8a7ccf [0,3,0,0,0,0|1,0,0]=4 22713 B12R0.101 CCCC(C)OCC(=O)CCSC 8ddccbda482b9ff8cc7c2866ca3f2bf3 [0,3,0,0,0,0|0,0,1]=4 22714 B12R0.101 CCCC(C)OC[C@@H](C)OCOC d461a3e6ad16858d31e533edff4c49da [0,3,0,0,0,0|1,0,0]=4 22715 B12R0.101 CCCC(O)CNC(C)CCCO f6d0fea9820a7e79ec65894672481a11 [0,3,0,0,0,0|1,0,0]=4 22716 B12R0.101 CCCCC(=O)NCC(O)CCC cc2f1e28246c7e8e1de091afdced28b4 [0,3,0,0,0,0|1,0,0]=4 22717 B12R0.101 CCCCC(=O)OCN(C)CCC 88d404fc15f032c8252199b241a58a86 [0,3,0,0,0,0|0,0,1]=4 22718 B12R0.101 CCCCC(C)COC(C)CCC ff28859038a100332933adb071ad9b46 [0,3,0,0,0,0|0,0,0]=3 22719 B12R0.101 CCCCC(C)COC(C)COC 87e1ce0267187e883beca7d5617f587c [0,3,0,0,0,0|1,0,0]=4 22720 B12R0.101 CCCCC(C)NCC(=O)CCC 852209e1badda00956d06d4203171844 [0,3,0,0,0,0|1,0,0]=4 22721 B12R0.101 CCCCC(C)NCC(C)CCC 0c9d5548eeab5a26e5d03703be3fd821 [0,3,0,0,0,0|1,0,0]=4 22722 B12R0.101 CCCCC(C)NCC(C)CCO 55b1d5aec267514feb64d47800cb4329 [0,3,0,0,0,0|1,0,0]=4 22723 B12R0.101 CCCCC(C)NCC(C)OCC 68a99d1f4fb74f393ecd0dc4ff6367c5 [0,3,0,0,0,0|1,0,0]=4 22724 B12R0.101 CCCCC(C)NCC(O)CCC c97aadbcc3189a9cd22437b4a64546d0 [0,3,0,0,0,0|1,0,0]=4 22725 B12R0.101 CCCCC(C)NCC(O)COC 7b8a604a6488164c7dcbfa08882cf371 [0,3,0,0,0,0|1,0,0]=4 22726 B12R0.101 CCCCC(C)NC[C@@H](O)CCO 6d9fcb1f8543adfced489e9f1b72fc92 [0,3,0,0,0,0|1,0,0]=4 22727 B12R0.101 CCCCC(C)NC[C@H](O)COC 5a36f24e8c3684fb378be2ae9a753a4d [0,3,0,0,0,0|1,0,0]=4 22728 B12R0.101 CCCCC(C)OCC(=O)CCC 5d2d6a3b62905faebc611bd3061585ff [0,3,0,0,0,0|0,0,0]=3 22729 B12R0.101 CCCCC(C)OCC(=O)COC a96c59be4867ab33cdf32c36dc63e3a5 [0,3,0,0,0,0|0,0,1]=4 22730 B12R0.101 CCCCC(C)OCC(=O)NCC bd143ab9f6940de3231d57933e4c2176 [0,3,0,0,0,0|0,0,1]=4 22731 B12R0.101 CCCCC(C)OCC(=O)OCC 88d09e5d48ec2304220914552512da91 [0,3,0,0,0,0|0,0,1]=4 22732 B12R0.101 CCCCC(C)OCC(C)CCC 8794199af3787e1db5439064848177d5 [0,3,0,0,0,0|0,0,0]=3 22733 B12R0.101 CCCCC(C)OCC(C)COC 3d6d6b7f3d4cc14d0e759ea36e0656c7 [0,3,0,0,0,0|0,0,0]=3 22734 B12R0.101 CCCCC(C)OCC(C)OCC 122aac3464bd21ed4501f54a27f1e437 [0,3,0,0,0,0|0,0,0]=3 22735 B12R0.101 CCCCC(C)OC[C@@H](C)COC 68f19e2e77edb46577943c95bf142931 [0,3,0,0,0,0|0,0,0]=3 22736 B12R0.101 CCCCC(C)OC[C@@H](O)CCO ac54f798168202af0e019deba5033b79 [0,3,0,0,0,0|0,0,0]=3 22737 B12R0.101 CCCCC(O)CNC(C)CCC a5ec76bc92c5cd63067c95b5cba9335d [0,3,0,0,0,0|1,0,0]=4 22738 B12R0.101 CCCCN(C)COC(=O)CCC 0460f4ae494da9dca9fc21dc9436b249 [0,3,0,0,0,0|0,0,1]=4 22739 B12R0.101 CCCC[C@@H](C)NCC(=O)CCC 1ca8ec85f0a5e572a9e025767576808a [0,3,0,0,0,0|1,0,0]=4 22740 B12R0.101 CCCC[C@@H](C)NCC(C)CCC f8e2b9f2d0888ee62966eea5c029f487 [0,3,0,0,0,0|1,0,0]=4 22741 B12R0.101 CCCC[C@@H](C)NCC(O)COC abe7b25fa118df78f7ecf2f55d81a91e [0,3,0,0,0,0|1,0,0]=4 22742 B12R0.101 CCCC[C@@H](C)NC[C@@H](O)CCO eb1b29401e0e40db8d7493c5886adb86 [0,3,0,0,0,0|1,0,0]=4 22743 B12R0.101 CCCC[C@@H](C)OCC(=O)CCC 1657e0e605daf680e2d860ccfccab07d [0,3,0,0,0,0|0,0,0]=3 22744 B12R0.101 CCCC[C@@H](C)OCC(=O)COC a236b4263eb86ebb2730bce8878b3d43 [0,3,0,0,0,0|0,0,1]=4 22745 B12R0.101 CCCC[C@@H](C)OCC(=O)NCC 7ad7e720407ed4a0a669984440023c19 [0,3,0,0,0,0|0,0,1]=4 22746 B12R0.101 CCCC[C@@H](C)OCC(=O)OCC f25b95625d8374ac06d4f2798e658eba [0,3,0,0,0,0|0,0,1]=4 22747 B12R0.101 CCCC[C@@H](C)OCC(C)CCC 97d28759da41e056a14068c6f08c9a7f [0,3,0,0,0,0|0,0,0]=3 22748 B12R0.101 CCCC[C@@H](C)OC[C@@H](O)CCO 8295a402750246f74b1c088fec6624b6 [0,3,0,0,0,0|0,0,0]=3 22749 B12R0.101 CCCC[C@H](C)OCC(=O)CCC 43e31ff4a89156d5f12c5570c7cb7e5d [0,3,0,0,0,0|0,0,0]=3 22750 B12R0.101 CCCC[C@H](C)OCC(=O)COC dc200b8fcfe295999bc7b6e14b885c05 [0,3,0,0,0,0|0,0,1]=4 22751 B12R0.101 CCCC[C@H](C)OCC(=O)NCC 5a5bbddfc3fa14ca9a226c7204dccb73 [0,3,0,0,0,0|0,0,1]=4 22752 B12R0.101 CCCC[C@H](C)OCC(=O)OCC 244f173b700a3c32798f0355652dceda [0,3,0,0,0,0|0,0,1]=4 22753 B12R0.101 CCCC[C@H](C)OCC(C)CCC 8cc48b3def1d823d2a585b885b3f3b9b [0,3,0,0,0,0|0,0,0]=3 22754 B12R0.101 CCCC[C@H](C)OC[C@@H](O)CCO 158cc82da12811a8bf2624a9d9753c2b [0,3,0,0,0,0|0,0,0]=3 22755 B12R0.101 CCCNC(=O)COC(C)CCC 16a860f874f6da707a6b941b57b8889c [0,3,0,0,0,0|0,0,1]=4 22756 B12R0.101 CCCNC(=O)CO[C@@H](C)CCC 32c3275d82b39d207ab6656fe32a7e76 [0,3,0,0,0,0|0,0,1]=4 22757 B12R0.101 CCCNC(=O)CO[C@H](C)CCC ff7e2fd5f3fdc5ee2af4afd074cbb8bd [0,3,0,0,0,0|0,0,1]=4 22758 B12R0.101 CCCOC(=O)COC(C)CCC fddb2efa9c62def952a18283c19cd5c6 [0,3,0,0,0,0|0,0,1]=4 22759 B12R0.101 CCCOC(=O)CO[C@@H](C)CCC fc6f24d65b222cc1dd99460d89600c2b [0,3,0,0,0,0|0,0,1]=4 22760 B12R0.101 CCCOC(=O)CO[C@H](C)CCC 1710f81efb242596dffd6ea3c319eb94 [0,3,0,0,0,0|0,0,1]=4 22761 B12R0.101 CCCOC(C)COC(C)COC 380861425ba8bd50c21b8cd551cf572b [0,3,0,0,0,0|1,0,0]=4 22762 B12R0.101 CCC[C@@H](C)OCC(=O)CCSC c7d0e5ccc2a4eb9d1385fbb07ed882a2 [0,3,0,0,0,0|0,0,1]=4 22763 B12R0.101 CCC[C@H](C)OCC(=O)CCSC fc0f5b970b81f56950fb6fb643fe63d6 [0,3,0,0,0,0|0,0,1]=4 22764 B12R0.101 CCOCC(C)COC(C)COC d1f2363d7e7b99a903c983c9928f70eb [0,3,0,0,0,0|1,0,0]=4 22765 B12R0.101 CCOCC(C)OC[C@@H](O)CCO 12cc1d3383957fb12adb441ca3ae7226 [0,3,0,0,0,0|1,0,0]=4 22766 B12R0.101 COCCC(C)OC[C@@H](O)CCO df6fd671c4b8b1d5daaaaf4000cd5fa6 [0,3,0,0,0,0|1,0,0]=4 22767 B12R0.114 CCCC(C)N(C)CCCCCO af61480d56f656e527f9edb14c030063 [0,3,0,0,0,0|1,0,0]=4 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[0,3,0,0,0,0|0,0,1]=4 22779 B12R0.114 CCCCOCC(=O)N(C)CCC f3d572ae4687b53f7a89d2356aacfe8f [0,3,0,0,0,0|0,0,1]=4 22780 B12R0.114 CCCCOCC(C)C(=O)OCC a345568f72f5364a68bdd986222b4cfc [0,3,0,0,0,0|0,0,1]=4 22781 B12R0.114 CCCCOCN(C)C(C)CCO 009e0e8409017385ea2e4ee2047f7bfa [0,3,0,0,0,0|1,0,0]=4 22782 B12R0.114 CCCCOCN(C)[C@@H](C)CCO 95c7a3162eb8df288db8edd4c9934df4 [0,3,0,0,0,0|1,0,0]=4 22783 B12R0.121 C#CC(CCC)OC/C=C/CCC 164974ce7a535d1ac94fc766e279432b [0,3,0,0,0,0|0,0,1]=4 22784 B12R0.121 C#CC(CCC)OC/C=C\CCC 11db74f1932db0d4be7fe5b68fbf491b [0,3,0,0,0,0|0,0,1]=4 22785 B12R0.121 C#CC(CCC)OCC/C=C\CC 6fb81431bbe18bb3a954e46c10bc3207 [0,3,0,0,0,0|0,0,1]=4 22786 B12R0.121 C#CC(CCC)OCCC/C=C\C ed01b88a153024806ca4e49681fdf4f6 [0,3,0,0,0,0|0,0,1]=4 22787 B12R0.121 C#CC(CCC)OCCCCC#N 3b1535c49156c34c9fcf6c9295231048 [0,3,0,0,0,0|0,0,1]=4 22788 B12R0.121 C#CC(CCC)OCCCCC=C cb6846c4b96ad9ba6e8b251847e45612 [0,3,0,0,0,0|0,0,1]=4 22789 B12R0.121 C#CC(CCC)OCCCCC=O 4d51d68ac891774e1094abb7b8050e3c [0,3,0,0,0,0|0,0,1]=4 22790 B12R0.121 C#CC(CCC)OCCCCCC 3901f406578def9d4fa6e247282d1537 [0,3,0,0,0,0|0,0,0]=3 22791 B12R0.121 C#CC(CCC)OCCCCCF 283dbf9a8c755242ea8c0ad46873f4aa [0,3,0,0,0,0|0,0,0]=3 22792 B12R0.121 C#CC(CCC)OCCCCOC 74f4d9bd5b17148e9cb7090c61ba4be9 [0,3,0,0,0,0|0,0,0]=3 22793 B12R0.121 C#CC(CCC)OCCCOCC 573dc86d78cc74ce5db501b5c9309a2a [0,3,0,0,0,0|0,0,0]=3 22794 B12R0.121 C#CC(CCC)OCCCSCC 610f87def19ebb468d177a193bc3abdf [0,3,0,0,0,0|0,0,0]=3 22795 B12R0.121 C#CC(CCC)OCCOCCC 79c03b2ca33187432369f3aecb31964c [0,3,0,0,0,0|0,0,0]=3 22796 B12R0.121 C#CC(CCC)OCCOCOC bdf6dbf2529246d8431bb8f5443a8a96 [0,3,0,0,0,0|1,0,0]=4 22797 B12R0.121 C#CC(CCC)OCOCCCC 24b40dcdda70cf3c0762299939d23e6b [0,3,0,0,0,0|0,0,0]=3 22798 B12R0.121 C#CC(CCC)OCOCCOC b937ed40bf18f96cc71d4b5056594898 [0,3,0,0,0,0|1,0,0]=4 22799 B12R0.121 C#CCC(CC)OCOCCCC a02aa4d7c2e9a8f4d3838fd3bdf2be89 [0,3,0,0,0,0|1,0,0]=4 22800 B12R0.121 C#CCCCCOC(C#C)CCC 5ee3c9a3ef460a0b4ec2620f03268df8 [0,3,0,0,0,0|0,0,1]=4 22801 B12R0.121 C#CCCCCOC(C#N)CCC 4671bac5c0038b55cbbb6c337501466a [0,3,0,0,0,0|0,0,1]=4 22802 B12R0.121 C#CCCCCOC(C=C)CCC c887cd983350cc4d571968cf15fe5ae5 [0,3,0,0,0,0|0,0,1]=4 22803 B12R0.121 C#CCCCCOC(CC)CCC 3ace0ec3ae9bbdcd0ae33fc5b9e086ce [0,3,0,0,0,0|0,0,1]=4 22804 B12R0.121 C#CCCCCO[C@H](CC)CCC 0512c354646124ece45893ce1e89cf7b [0,3,0,0,0,0|0,0,1]=4 22805 B12R0.121 C#CCCCOCC(CC)CCC 9ec00152b6e2500539a92a91f3463615 [0,3,0,0,0,0|0,0,1]=4 22806 B12R0.121 C/C=C/CCCOC(CC)CCC d36065caa1275caa253829b7cfd80f0b [0,3,0,0,0,0|0,0,1]=4 22807 B12R0.121 C/C=C\CCCOC(C#N)CCC 221278e5195e78a3ee734c593dd525e4 [0,3,0,0,0,0|0,0,1]=4 22808 B12R0.121 C/C=C\CCCOC(CC)CCC 05ea9104596bf5d978ce76c597f5a7ad [0,3,0,0,0,0|0,0,1]=4 22809 B12R0.121 C/C=C\CCCO[C@H](CC)CCC b09b4740940c8e9b4737c798099688b1 [0,3,0,0,0,0|0,0,1]=4 22810 B12R0.121 C=CC(CCC)OC/C=C/CCC 6a07c7975ae05abbc3b0d5d8f2a57ffd [0,3,0,0,0,0|0,0,1]=4 22811 B12R0.121 C=CC(CCC)OC/C=C\CCC 7c01dc40eaa896adbe8aa956ecd6b5f3 [0,3,0,0,0,0|0,0,1]=4 22812 B12R0.121 C=CC(CCC)OCC/C=C\CC 81a74bc5953d7b5aecbd48b4bf31c3a5 [0,3,0,0,0,0|0,0,1]=4 22813 B12R0.121 C=CC(CCC)OCCC/C=C\C 335386b017972f17fe3e7082e496a782 [0,3,0,0,0,0|0,0,1]=4 22814 B12R0.121 C=CC(CCC)OCCCCC#N 36f2a92ec1e2199d089efc49b9814f7f [0,3,0,0,0,0|0,0,1]=4 22815 B12R0.121 C=CC(CCC)OCCCCC=O b6aaa9e2bf1c7ba7086a076a13ca5092 [0,3,0,0,0,0|0,0,1]=4 22816 B12R0.121 C=CC(CCC)OCCCCCC c4056d838795fc9cb675427e6bb2ba31 [0,3,0,0,0,0|0,0,0]=3 22817 B12R0.121 C=CC(CCC)OCCCCCF b21971ec91e651e3edb1b96d18fb201c [0,3,0,0,0,0|0,0,0]=3 22818 B12R0.121 C=CC(CCC)OCCCCOC aa6900323a0e332da5836ff79a98518e [0,3,0,0,0,0|0,0,0]=3 22819 B12R0.121 C=CC(CCC)OCCCOCC 8616d36ae258387e1d72f041b6f310be [0,3,0,0,0,0|0,0,0]=3 22820 B12R0.121 C=CC(CCC)OCCCSCC a6f249188a3d49819e061883566915dd [0,3,0,0,0,0|0,0,0]=3 22821 B12R0.121 C=CC(CCC)OCCOCCC bfa1009d5792fe0e7d935d8d125acf9d [0,3,0,0,0,0|0,0,0]=3 22822 B12R0.121 C=CC(CCC)OCCOCOC afe5c90c5742ae9de86f33656d5c3c03 [0,3,0,0,0,0|1,0,0]=4 22823 B12R0.121 C=CC(CCC)OCOCCCC 19d97246a4f48f19416ce9a717a55efc [0,3,0,0,0,0|0,0,0]=3 22824 B12R0.121 C=CC(CCC)OCOCCOC 52c98d86da92a7b494d9d8c1caece92b [0,3,0,0,0,0|1,0,0]=4 22825 B12R0.121 C=CC(CCCCCCC)OCC 3f084a19b77038b2daae3d0b74ad28ad [0,3,0,0,0,0|1,0,0]=4 22826 B12R0.121 C=CCCCCOC(C#N)CCC aaa951e1bbe3627b8625ce0f7981adfb [0,3,0,0,0,0|0,0,1]=4 22827 B12R0.121 C=CCCCCOC(C=C)CCC 6180bd80a16a23da638c4f26961cb853 [0,3,0,0,0,0|0,0,1]=4 22828 B12R0.121 C=CCCCCOC(CC)CCC 58666b142b0da17ee07bdaa74fe4f47a [0,3,0,0,0,0|0,0,1]=4 22829 B12R0.121 C=CCCCCO[C@H](CC)CCC 0de13c46675291014e405f396ee87e3b [0,3,0,0,0,0|0,0,1]=4 22830 B12R0.121 C=CCCCOCC(CC)CCC e3d5f3e63ab09a89cdfe8e43eebf71e3 [0,3,0,0,0,0|0,0,1]=4 22831 B12R0.121 CC#CCCCOC(CC)CCC 8c72bac9982382f7e927f8e52bf40fad [0,3,0,0,0,0|0,0,1]=4 22832 B12R0.121 CC/C=C/CCOC(CC)CCC f09dee902ede92d129ddbdd0ae46da04 [0,3,0,0,0,0|0,0,1]=4 22833 B12R0.121 CC/C=C/COCC(CC)CCC 0d3a0ecf391248b963133500c41209e3 [0,3,0,0,0,0|0,0,1]=4 22834 B12R0.121 CC/C=C\CCOC(C#N)CCC 90a3736d6c86bcd925ab6c63febbf788 [0,3,0,0,0,0|0,0,1]=4 22835 B12R0.121 CC/C=C\CCOC(CC)CCC bfef214d76a461052dd4e43a4f1b7470 [0,3,0,0,0,0|0,0,1]=4 22836 B12R0.121 CC/C=C\CCO[C@H](CC)CCC 99b179ef0a3511a83c0a41c9ef8d9740 [0,3,0,0,0,0|0,0,1]=4 22837 B12R0.121 CC=CCCCOC(CC)CCC 7b0ccc4173f3a0bbdbe87d73b1d36e89 [0,3,0,0,0,0|0,0,1]=4 22838 B12R0.121 CCC#CCCOC(CC)CCC 016a2565db41bc79db173b49d3d6f5ca [0,3,0,0,0,0|0,0,1]=4 22839 B12R0.121 CCC#CCOCC(CC)CCC e695db45cdbdbc177cd9e4f5cf81c930 [0,3,0,0,0,0|0,0,1]=4 22840 B12R0.121 CCC(COC)OCCCCCF 7aacc07c2b1f45521bf57d5f41240d77 [0,3,0,0,0,0|1,0,0]=4 22841 B12R0.121 CCC(COC)OCCCCOC 701f82d4c066dc52f525a64d16b34f8b [0,3,0,0,0,0|1,0,0]=4 22842 B12R0.121 CCC(CSC)OCCCCCF b8e13a1c3e15b48bf6c753e690618c13 [0,3,0,0,0,0|1,0,0]=4 22843 B12R0.121 CCC(CSC)OCCCCOC 597872d27b0495ce0f2b99e71f3de2b6 [0,3,0,0,0,0|1,0,0]=4 22844 B12R0.121 CCC/C=C/COC(C#N)CCC 197f39852b9cfa4937b6efc77d605c2b [0,3,0,0,0,0|0,0,1]=4 22845 B12R0.121 CCC/C=C/COC(CC)CCC 5b75662db965ad6aaca0ff9f2166251d [0,3,0,0,0,0|0,0,1]=4 22846 B12R0.121 CCC/C=C/CO[C@H](CC)CCC b8d8ce9a420fbee518ddfa32f48838b9 [0,3,0,0,0,0|0,0,1]=4 22847 B12R0.121 CCC/C=C\COC(C#N)CCC 163a805806ade8602f15e759873044f7 [0,3,0,0,0,0|0,0,1]=4 22848 B12R0.121 CCC/C=C\COC(CC)CCC 505096bdfb1871bc5aa58b4314337e58 [0,3,0,0,0,0|0,0,1]=4 22849 B12R0.121 CCC/C=C\CO[C@H](CC)CCC d32cc1f1a6aa7c5b2cb7a3c38f4714e2 [0,3,0,0,0,0|0,0,1]=4 22850 B12R0.121 CCCC#CCOC(CC)CCC cf554017aa8a0437750b8a7aeb9c010f [0,3,0,0,0,0|0,0,1]=4 22851 B12R0.121 CCCC(C#N)OCCCCC#N 0819cc94ef665f8ba9d03ad67a904c54 [0,3,0,0,0,0|0,0,1]=4 22852 B12R0.121 CCCC(C#N)OCCCCC=O b668b3c1d093588ef662d49c8f2a60b4 [0,3,0,0,0,0|0,0,1]=4 22853 B12R0.121 CCCC(C#N)OCCCCCF 2ac52d19f59b1a7e900e9c48851374e7 [0,3,0,0,0,0|0,0,0]=3 22854 B12R0.121 CCCC(C#N)OCCCCOC d8acd97717523b5728401a69bd1730cc [0,3,0,0,0,0|0,0,0]=3 22855 B12R0.121 CCCC(C#N)OCCCOCC a041f578aa9549595b6d35e46709505a [0,3,0,0,0,0|0,0,0]=3 22856 B12R0.121 CCCC(C#N)OCCCSCC da6f9e6ae2899b52a53f242cc4838939 [0,3,0,0,0,0|0,0,0]=3 22857 B12R0.121 CCCC(C#N)OCCOCOC c15cc6ba621cf0831921f7fd6e9bef71 [0,3,0,0,0,0|1,0,0]=4 22858 B12R0.121 CCCC(C#N)OCOCCOC c241e17a4e8015f6be2fa7c3dfbf4a4e [0,3,0,0,0,0|1,0,0]=4 22859 B12R0.121 CCCC(CC)COCCCC#N 54effdbf5de94fcefdf670125cedc2d7 [0,3,0,0,0,0|0,0,1]=4 22860 B12R0.121 CCCC(CC)COCCCC=O 387d0d656c01a42e16ee73212944d70d [0,3,0,0,0,0|0,0,1]=4 22861 B12R0.121 CCCC(CC)COCCCCF 5fd472b568723d42aa67625c4fb1a9bd [0,3,0,0,0,0|0,0,0]=3 22862 B12R0.121 CCCC(CC)COCCCOC 1e5e325209178d240a1990971e7a9933 [0,3,0,0,0,0|0,0,0]=3 22863 B12R0.121 CCCC(CC)COCCCSC fb88ddb0ee4d2e021c68099eed116d4e [0,3,0,0,0,0|0,0,0]=3 22864 B12R0.121 CCCC(CC)COCCOCC 34ca1b4ef62e0890e47d93e98341e094 [0,3,0,0,0,0|0,0,0]=3 22865 B12R0.121 CCCC(CC)COCCSCC 286bc4406c1128806542b8b7441283d6 [0,3,0,0,0,0|0,0,0]=3 22866 B12R0.121 CCCC(CC)NCCCCCCl bf8d64980696b9d5d23167f1d52726fe [0,3,0,0,0,0|1,0,0]=4 22867 B12R0.121 CCCC(CC)NCCCCCO 1ee958e19af24d28895fef132730b16d [0,3,0,0,0,0|1,0,0]=4 22868 B12R0.121 CCCC(CC)NCCCCOC d7668fe25030bc42bc047eae48c4e056 [0,3,0,0,0,0|1,0,0]=4 22869 B12R0.121 CCCC(CC)NCCCCSC 393ad4b628ef6750f0c5f2fecbc08fc7 [0,3,0,0,0,0|1,0,0]=4 22870 B12R0.121 CCCC(CC)NCCCOCC 13fcb19c588941a2ccdc809e7a6252da [0,3,0,0,0,0|1,0,0]=4 22871 B12R0.121 CCCC(CC)OCCCCC#N feee2ca5849304240668f08873188f3a [0,3,0,0,0,0|0,0,1]=4 22872 B12R0.121 CCCC(CC)OCCCCC=O bf25607f0794daed4475ecad42bfbe73 [0,3,0,0,0,0|0,0,1]=4 22873 B12R0.121 CCCC(CC)OCCCCCF 4b0a9f46dfd626b543d0e88877b668bb [0,3,0,0,0,0|0,0,0]=3 22874 B12R0.121 CCCC(CC)OCCCCOC bf92572cc439d1291cad8843cde709a0 [0,3,0,0,0,0|0,0,0]=3 22875 B12R0.121 CCCC(CC)OCCCCSC d05799c9b1f090187670c72194b71b63 [0,3,0,0,0,0|0,0,0]=3 22876 B12R0.121 CCCC(CC)OCCCOCC ae7a93badfa44bfa1f2fb077bb71374b [0,3,0,0,0,0|0,0,0]=3 22877 B12R0.121 CCCC(CC)OCCCSCC b4c56a1949e8d0c14fcc271fab72905f [0,3,0,0,0,0|0,0,0]=3 22878 B12R0.121 CCCC(CC)OCCOCCF 4f6a7ee8707453122cbf98d8c38b3b8c [0,3,0,0,0,0|1,0,0]=4 22879 B12R0.121 CCCC(CC)OCCOCCS 5683b24c2d904df2a75f12da071218fe [0,3,0,0,0,0|1,0,0]=4 22880 B12R0.121 CCCC(CC)OCCOCOC 2a435ee0febd6194347e900cdba2cc7c [0,3,0,0,0,0|1,0,0]=4 22881 B12R0.121 CCCC(CC)OCOCCOC f46e058003b876997b8866fdfe9a62f2 [0,3,0,0,0,0|1,0,0]=4 22882 B12R0.121 CCCC(CCOCCCF)SC b07e40b4791937b950828fce88c4d4dd [0,3,0,0,0,0|1,0,0]=4 22883 B12R0.121 CCCC(CCOCCCS)SC 911d740e2df073c50f69b4613bafe0a2 [0,3,0,0,0,0|1,0,0]=4 22884 B12R0.121 CCCC(CCOCCOC)SC 670413fb275c621779b94f63700d669f [0,3,0,0,0,0|1,0,0]=4 22885 B12R0.121 CCCC(CCOCCSC)SC 23d457b7c5be6da95676d85210a09619 [0,3,0,0,0,0|1,0,0]=4 22886 B12R0.121 CCCC(CCOCOCC)SC dcbdea09cae002d62595618563860ad1 [0,3,0,0,0,0|1,0,0]=4 22887 B12R0.121 CCCC(CO)NCCCCCF fd7c12b9da35433c5c4d04ac78888796 [0,3,0,0,0,0|1,0,0]=4 22888 B12R0.121 CCCC(CO)NCCCCCO 9354be457ab23707d19a79287fa5cae0 [0,3,0,0,0,0|1,0,0]=4 22889 B12R0.121 CCCC(CO)NCCCCOC 79abcd450d23bbb3a50b8e38c0dccc40 [0,3,0,0,0,0|1,0,0]=4 22890 B12R0.121 CCCC(CO)NCCCOCC a24f9dbf379a51d0b01036cff3c6dd14 [0,3,0,0,0,0|1,0,0]=4 22891 B12R0.121 CCCC(CO)NCCCSCC a709e1b1712af233b1b053dbc5eb23c4 [0,3,0,0,0,0|1,0,0]=4 22892 B12R0.121 CCCC(CO)NCOCCOC 9dbbbd5e9b33933a12610aca8ea9f0a5 [0,3,0,0,0,0|1,0,0]=4 22893 B12R0.121 CCCCCCCC(CC)OCC 0b5e202221d33416f5753e62ff8f3413 [0,3,0,0,0,0|1,0,0]=4 22894 B12R0.121 CCCCCCCC(CC)OCF 97202173c4c89f8c43713e5184be2675 [0,3,0,0,0,0|1,0,0]=4 22895 B12R0.121 CCCCCCCN(CC)CCC b6c0c04066e6286e51b217848c722d2c [0,3,0,0,0,0|1,0,0]=4 22896 B12R0.121 CCCCCCNC(CC)CCC a325513a5b6ff8c28638741ace2292ba [0,3,0,0,0,0|1,0,0]=4 22897 B12R0.121 CCCCCCNC(CO)CCC d4ddf709aada7d1c08300d294baf0afc [0,3,0,0,0,0|1,0,0]=4 22898 B12R0.121 CCCCCCN[C@@H](CO)CCC 445404a6e6777c3d51177460d9d232b3 [0,3,0,0,0,0|1,0,0]=4 22899 B12R0.121 CCCCCCN[C@H](CO)CCC 26fe67630654fb3195f6f7f44160d7fe [0,3,0,0,0,0|1,0,0]=4 22900 B12R0.121 CCCCCCOC(C#N)CCC 22423c3981db6c84bf7346e2f060d452 [0,3,0,0,0,0|0,0,0]=3 22901 B12R0.121 CCCCCCOC(CBr)CCBr ba1fc9250200bb0894b939869b9eefeb [0,3,0,0,0,0|1,0,0]=4 22902 B12R0.121 CCCCCCOC(CC)CCC 2ed1915b87372083a7b3a4f209decf64 [0,3,0,0,0,0|0,0,0]=3 22903 B12R0.121 CCCCCCOC(CC)COC 467b27d099486d4f5d6ba969018086a3 [0,3,0,0,0,0|1,0,0]=4 22904 B12R0.121 CCCCCCOC(CC)CSC 7a4499a79eb7d9a46951ad1ae706849d [0,3,0,0,0,0|1,0,0]=4 22905 B12R0.121 CCCCCCOC(CCl)CCCl 3099e8f73ab6b31a564ed992f8d340ab [0,3,0,0,0,0|1,0,0]=4 22906 B12R0.121 CCCCCCO[C@@H](CO)CCO d346a30d4cda6fa8500d142aae30c4f1 [0,3,0,0,0,0|1,0,0]=4 22907 B12R0.121 CCCCCCO[C@H](CC)CCC fc1aa1aa384d79e1318dfffa16d60e85 [0,3,0,0,0,0|0,0,0]=3 22908 B12R0.121 CCCCCNCC(CC)OCC 530b24cd01ba7321c0a1f06081aef3f4 [0,3,0,0,0,0|1,0,0]=4 22909 B12R0.121 CCCCCOCC(CC)CCC d01aaeaf47d381d583fd950b442cd26c [0,3,0,0,0,0|0,0,0]=3 22910 B12R0.121 CCCCCOCC(CC)OCC cd71a431cc3d66e8809b013b08955229 [0,3,0,0,0,0|0,0,0]=3 22911 B12R0.121 CCCCOCCC(CCC)SC 60a6f0f1f0e0f89e87062c8038848879 [0,3,0,0,0,0|0,0,0]=3 22912 B12R0.121 CCCCOCCN(CC)CC#N 198fbb49f03cdc4547d060a51fd6b014 [0,3,0,0,0,0|1,0,0]=4 22913 B12R0.121 CCCCOCCN(CC)CCC 1174555f0762118cc4604747b3b17b81 [0,3,0,0,0,0|0,0,0]=3 22914 B12R0.121 CCCCOCCN(CC)CCCl f6a80b71a7dd969f4e9adb3293df2220 [0,3,0,0,0,0|1,0,0]=4 22915 B12R0.121 CCCCOCCN(CC)CCO bc7fdc05c2b15e993bc9fd94077d1b89 [0,3,0,0,0,0|1,0,0]=4 22916 B12R0.121 CCCCOCCN(CO)CCO 381ee275678bc703801688cfa0104f63 [0,3,0,0,0,0|1,0,0]=4 22917 B12R0.121 CCCCOCNC(CC)CC#N cc8f5653bf9583364b1006101b4f33c8 [0,3,0,0,0,0|1,0,0]=4 22918 B12R0.121 CCCCOCNC(CC)COC 60561f4056bc29585e33f1aaf12fd6c8 [0,3,0,0,0,0|1,0,0]=4 22919 B12R0.121 CCCCOCNC(CO)CCC cfe40b49bdcbc6e18b1766abf664f288 [0,3,0,0,0,0|0,0,0]=3 22920 B12R0.121 CCCCOCNC(CO)CCO c02c9446caa43cc3196fbe7c13b5d1be [0,3,0,0,0,0|1,0,0]=4 22921 B12R0.121 CCCCOCNC(CO)COC bd1af981bb73b4e54f51b1a388e77302 [0,3,0,0,0,0|1,0,0]=4 22922 B12R0.121 CCCCOCNC(CO)CSC 44b804a513841e4a6cbdba7fd52a35a6 [0,3,0,0,0,0|1,0,0]=4 22923 B12R0.121 CCCCOCN[C@@H](CC)CC#N 34c6f54c00d4964275d70e146a745d38 [0,3,0,0,0,0|1,0,0]=4 22924 B12R0.121 CCCCOCN[C@@H](CO)CCC a3f5a8efd8042182f592357e7cf28ae9 [0,3,0,0,0,0|0,0,0]=3 22925 B12R0.121 CCCCOCN[C@@H](CO)CCO f1d7d785b28d9ea2e384ea007e20d94f [0,3,0,0,0,0|1,0,0]=4 22926 B12R0.121 CCCCOCN[C@H](CC)CC#N b14a99af9a47364ea26cde7b1f7259c7 [0,3,0,0,0,0|1,0,0]=4 22927 B12R0.121 CCCCOCN[C@H](CO)CCC 117d90643a717692554af1982d925fba [0,3,0,0,0,0|0,0,0]=3 22928 B12R0.121 CCCCOCOC(C#N)CCC b8aea6834cf836a694f55b312bb2b388 [0,3,0,0,0,0|0,0,0]=3 22929 B12R0.121 CCCCOCOC(CBr)CCBr 1b7aee748c81bb5b632b4f993e942502 [0,3,0,0,0,0|1,0,0]=4 22930 B12R0.121 CCCCOCOC(CC)CC#N 0e793cc27ad1bb97276b92e101f8416e [0,3,0,0,0,0|1,0,0]=4 22931 B12R0.121 CCCCOCOC(CC)CCC faf6e3383d6c6d2262e6cc1cd3b6e87c [0,3,0,0,0,0|0,0,0]=3 22932 B12R0.121 CCCCOCOC(CC)COC 293fadc676a44fd0441c6785b240680d [0,3,0,0,0,0|1,0,0]=4 22933 B12R0.121 CCCCOCOC(CC)CSC c26d00b3277481d2be4d9994cd08ab1c [0,3,0,0,0,0|1,0,0]=4 22934 B12R0.121 CCCCOCOC(CCl)CCCl f958f8f6ee32a1f37d264a274f660861 [0,3,0,0,0,0|1,0,0]=4 22935 B12R0.121 CCCCOCO[C@H](CC)CC#N 6813753057da02ca3dd60a5ec56d2775 [0,3,0,0,0,0|1,0,0]=4 22936 B12R0.121 CCCCOCO[C@H](CC)CCC 67d0230b195a93a9f401916918672a8c [0,3,0,0,0,0|0,0,0]=3 22937 B12R0.121 CCCN(CC)CCOCCOC 58c890925aa6e0d590cf3f39fee80407 [0,3,0,0,0,0|1,0,0]=4 22938 B12R0.121 CCCOCCNC(CC)CCC 928f999948d67f5594f07f194d26798e [0,3,0,0,0,0|1,0,0]=4 22939 B12R0.121 CCCOCCNC(CO)CCC b564ff8f7e0e2632a6242e028bf46d8c [0,3,0,0,0,0|1,0,0]=4 22940 B12R0.121 CCCOCCN[C@@H](CO)CCC 51a1e3a8c85525a8b7576da65a47f6da [0,3,0,0,0,0|1,0,0]=4 22941 B12R0.121 CCCOCCN[C@H](CO)CCC c430b909a9984993d0e85adf1a237d2d [0,3,0,0,0,0|1,0,0]=4 22942 B12R0.121 CCCOCCOC(C#N)CCC f2042af31b4f107f3ea6ecaf5b0eaa0a [0,3,0,0,0,0|0,0,0]=3 22943 B12R0.121 CCCOCCOC(CBr)CCBr 63d87dc3ea2bda364e31099dfcdef0a9 [0,3,0,0,0,0|1,0,0]=4 22944 B12R0.121 CCCOCCOC(CC)CCC acd90a21d8fd7ca0da96fc6c0915d035 [0,3,0,0,0,0|0,0,0]=3 22945 B12R0.121 CCCOCCOC(CC)COC c177d7076b8d361158152c5f8727619e [0,3,0,0,0,0|1,0,0]=4 22946 B12R0.121 CCCOCCOC(CC)CSC 1a1a35d34e7b4e9526f4bc243867c68f [0,3,0,0,0,0|1,0,0]=4 22947 B12R0.121 CCCOCCOC(CCl)CCCl cb2281710de98a2b277193b1e34a9fef [0,3,0,0,0,0|1,0,0]=4 22948 B12R0.121 CCCOCCO[C@@H](CO)CCO c84c66345661d9d8e7fae83a0f33ac61 [0,3,0,0,0,0|1,0,0]=4 22949 B12R0.121 CCCOCCO[C@H](CC)CCC 17a2bcd5272cccc3e7e9ed1543831c6c [0,3,0,0,0,0|0,0,0]=3 22950 B12R0.121 CCCSCCOC(CC)CCC 09f7f7650d5711212aaed61927fedc86 [0,3,0,0,0,0|0,0,0]=3 22951 B12R0.121 CCCSCCO[C@@H](CO)CCO 8124209337e132ef1d2832edcc8ebfad [0,3,0,0,0,0|1,0,0]=4 22952 B12R0.121 CCC[C@@H](CC)OCCCCC#N f14a62f45a683bf6d4b057318288db49 [0,3,0,0,0,0|0,0,1]=4 22953 B12R0.121 CCC[C@@H](CC)OCCCCC=O f948401b88372945aff34fb4c6510052 [0,3,0,0,0,0|0,0,1]=4 22954 B12R0.121 CCC[C@@H](CC)OCCCCCF a16b0794884f2ab33a25029dd092ed8c [0,3,0,0,0,0|0,0,0]=3 22955 B12R0.121 CCC[C@@H](CC)OCCCCOC d1ee10dd8c702245daa4f6d401640a99 [0,3,0,0,0,0|0,0,0]=3 22956 B12R0.121 CCC[C@@H](CC)OCCCOCC 25b02ea2817400d6d42e03b992479108 [0,3,0,0,0,0|0,0,0]=3 22957 B12R0.121 CCC[C@@H](CC)OCCCSCC 96bf8e22e48bca9f65e9e3409706faeb [0,3,0,0,0,0|0,0,0]=3 22958 B12R0.121 CCC[C@@H](CC)OCCOCOC 8ee5ef734336174fb13167463d4c2aa2 [0,3,0,0,0,0|1,0,0]=4 22959 B12R0.121 CCC[C@@H](CC)OCOCCOC 9dcfee755bf98cf224f522c9f8019050 [0,3,0,0,0,0|1,0,0]=4 22960 B12R0.121 CCC[C@@H](CO)NCCCCCF 8ac177f6f61643b8d3291f061585d471 [0,3,0,0,0,0|1,0,0]=4 22961 B12R0.121 CCC[C@@H](CO)NCCCCCO 94a117ee4ae618f9627d45cc7083d0bd [0,3,0,0,0,0|1,0,0]=4 22962 B12R0.121 CCC[C@@H](CO)NCCCCOC af6c9be0658bb1ad62658af55c525ac2 [0,3,0,0,0,0|1,0,0]=4 22963 B12R0.121 CCC[C@@H](CO)NCCCOCC dd75de2c734dd2bb16316b25e755d78b [0,3,0,0,0,0|1,0,0]=4 22964 B12R0.121 CCC[C@@H](CO)NCCCSCC 500553f79f738be059f686be2b764cb5 [0,3,0,0,0,0|1,0,0]=4 22965 B12R0.121 CCC[C@@H](CO)NCOCCOC 82f0ec07605b7bf3389a99618ae1fac9 [0,3,0,0,0,0|1,0,0]=4 22966 B12R0.121 CCC[C@H](CO)NCCCCCF 87738f04ff740ada302f7d36273cfe05 [0,3,0,0,0,0|1,0,0]=4 22967 B12R0.121 CCC[C@H](CO)NCCCCCO 9c62db0cc107b68746ecdf6ea07745ad [0,3,0,0,0,0|1,0,0]=4 22968 B12R0.121 CCC[C@H](CO)NCCCCOC c11e6fa96f2c8f0750f4801768bd1e20 [0,3,0,0,0,0|1,0,0]=4 22969 B12R0.121 CCC[C@H](CO)NCCCOCC 55d79e3a595fafddaddef0ce2b62b84e [0,3,0,0,0,0|1,0,0]=4 22970 B12R0.121 CCC[C@H](CO)NCCCSCC 4294b76ae7988bf22d2a37f1e5215413 [0,3,0,0,0,0|1,0,0]=4 22971 B12R0.121 CCC[C@H](CO)NCOCCOC 6bd226ceffc19f036e9ec4305d5025e3 [0,3,0,0,0,0|1,0,0]=4 22972 B12R0.121 CCOC(CC)COCCCCF 398f686ad28a310bc8bdfc6be238cf66 [0,3,0,0,0,0|1,0,0]=4 22973 B12R0.121 CCOC(CC)COCCCCS 939cd842f38d764958d68c03b693bdb5 [0,3,0,0,0,0|1,0,0]=4 22974 B12R0.121 CCOC(CC)COCCCOC 4491467a63b936d461eb6eb0919b114d [0,3,0,0,0,0|1,0,0]=4 22975 B12R0.121 CCOC(CC)COCCCSC 8f4e63e05b06b13de31ba8d6036df9b3 [0,3,0,0,0,0|1,0,0]=4 22976 B12R0.121 CCOC(CC)COCCSCC bb696fa999ab63d1163e86314c2637d8 [0,3,0,0,0,0|1,0,0]=4 22977 B12R0.121 CCOCCCOC(CBr)CCBr 42a1fdc706dae43d9b0c1e18143d5f26 [0,3,0,0,0,0|1,0,0]=4 22978 B12R0.121 CCOCCCOC(CC)COC 46d2f3376d1ee1ad460f3ba84444dd65 [0,3,0,0,0,0|1,0,0]=4 22979 B12R0.121 CCOCCCOC(CC)CSC d7ad86f801a5f6ad6e7f2b8f3b6e1481 [0,3,0,0,0,0|1,0,0]=4 22980 B12R0.121 CCOCCCOC(CCl)CCCl 9a14d1bc9cc80763e8ed041607e30689 [0,3,0,0,0,0|1,0,0]=4 22981 B12R0.121 CCOCCCO[C@@H](CO)CCO f9bab799f4ab1f21ae00f4bdc3e3a25d [0,3,0,0,0,0|1,0,0]=4 22982 B12R0.121 CCOCCOCC(CC)OCC 17e9c68e697d921f062962fd77848857 [0,3,0,0,0,0|1,0,0]=4 22983 B12R0.121 CCSCCCOC(CBr)CCBr feaafc482062c3c2ac2b699cfb5e9c3e [0,3,0,0,0,0|1,0,0]=4 22984 B12R0.121 CCSCCCOC(CC)COC 3b94dd21d7b2da591ed699c445d08e19 [0,3,0,0,0,0|1,0,0]=4 22985 B12R0.121 CCSCCCOC(CC)CSC a148993805de7cd7eb9b9ae3871bb543 [0,3,0,0,0,0|1,0,0]=4 22986 B12R0.121 CCSCCCOC(CCl)CCCl 9e9b42ec1c94ad9c4aba0621a61d1b7b [0,3,0,0,0,0|1,0,0]=4 22987 B12R0.121 CCSCCCO[C@@H](CO)CCO c3c7fc247c071da98f1f6de52b1b2d62 [0,3,0,0,0,0|1,0,0]=4 22988 B12R0.121 COCCCCOC(CBr)CCBr bfec3da1bbfd4505b10c95fac1cc5a77 [0,3,0,0,0,0|1,0,0]=4 22989 B12R0.121 COCCCCOC(CCl)CCCl dc514740bbb59c6c4c25e7c4a8d1ca4e [0,3,0,0,0,0|1,0,0]=4 22990 B12R0.121 COCCCCO[C@@H](CO)CCO 6e5c5276c5e8127d9cc4601a17c31a07 [0,3,0,0,0,0|1,0,0]=4 22991 B12R0.121 CSCCCCO[C@@H](CO)CCO 7e9645f45bcc73570c300030bd7ba4de [0,3,0,0,0,0|1,0,0]=4 22992 B12R0.121 FCCCCCOC(CCl)CCCl db238924fd96b3006f3f32eb51bbbc72 [0,3,0,0,0,0|1,0,0]=4 22993 B12R0.206 C#CCCC(=O)CCOCCCC 499d411553419b052d355d65fa89e035 [0,3,0,0,0,0|0,0,1]=4 22994 B12R0.206 C#CCCCCCN(C)CCCC 6c42f2b42fb275aba6ace471f07f8582 [0,3,0,0,0,0|1,0,0]=4 22995 B12R0.206 C#CCCCCNC(C)CCCC 09cba095e268c930cf2d6dadea00a905 [0,3,0,0,0,0|1,0,0]=4 22996 B12R0.206 C#CCCCCN[C@H](C)CCCC 1529b006f350ae37af746097df4a1060 [0,3,0,0,0,0|1,0,0]=4 22997 B12R0.206 C#CCCCCOC(C)CCCC 45f7fdfe61f53a67ce7d9e99404d010e [0,3,0,0,0,0|0,0,0]=3 22998 B12R0.206 C#CCCCCOC(C)CCOC fddd6e6af3bf90dcdc64fc783a92e64c [0,3,0,0,0,0|0,0,1]=4 22999 B12R0.206 C#CCCCCOC(C)CCSC 43b3497f1ed0c9efce35da5fe0f12f1a [0,3,0,0,0,0|0,0,1]=4 23000 B12R0.206 C#CCCCCOC(C)COCC cff2bb19d719582ed7af4a11f6134c93 [0,3,0,0,0,0|0,0,1]=4 23001 B12R0.206 C#CCCCCO[C@@H](C)CCCC 2ceb8248aaeace18f7d73a5590458294 [0,3,0,0,0,0|0,0,0]=3 23002 B12R0.206 C#CCCCCO[C@H](C)CCCC d8a15ca41fc1f37a01f41e477e6a2871 [0,3,0,0,0,0|0,0,0]=3 23003 B12R0.206 C#CCCCOCC(C)CCCC c76d8f9057b60e323e15511e4fddd600 [0,3,0,0,0,0|0,0,1]=4 23004 B12R0.206 C#CCCN(C)CCOCCCC ccec207245c61433a8d1946c06c19af3 [0,3,0,0,0,0|0,0,1]=4 23005 B12R0.206 C#CCOCCOC(C)CCCC 9d444c61a6a3fb5c89becb9e54289acd [0,3,0,0,0,0|0,0,1]=4 23006 B12R0.206 C#CCOCCO[C@@H](C)CCCC 4d578c3323ac1df97d96c7d31ac5ad40 [0,3,0,0,0,0|0,0,1]=4 23007 B12R0.206 C#CCOCCO[C@H](C)CCCC d7f67b73992d77f8b4e7e1a3e17e6fec [0,3,0,0,0,0|0,0,1]=4 23008 B12R0.206 C/C=C/CCCOC(C)CCCC 1e2372cd9a61292c1dcd3a1440ab3ae8 [0,3,0,0,0,0|0,0,0]=3 23009 B12R0.206 C/C=C\CCCNC(C)CCCC 6265909b8344a3be316da29364c6eb7d [0,3,0,0,0,0|1,0,0]=4 23010 B12R0.206 C/C=C\CCCN[C@H](C)CCCC 92c351573e6645a6910ce426407e0728 [0,3,0,0,0,0|1,0,0]=4 23011 B12R0.206 C/C=C\CCCOC(C)CCCC 38c1e92d0215a4458858e1ade29e4155 [0,3,0,0,0,0|0,0,0]=3 23012 B12R0.206 C/C=C\CCCOC(C)CCOC c10e15bf646da3eeb65c4ac1cb2a0696 [0,3,0,0,0,0|0,0,1]=4 23013 B12R0.206 C/C=C\CCCOC(C)CCSC ce523d05a4bc628b2f0316612562f2b4 [0,3,0,0,0,0|0,0,1]=4 23014 B12R0.206 C/C=C\CCCOC(C)COCC beab25d9c3c85c447fadf5009fc1a706 [0,3,0,0,0,0|0,0,1]=4 23015 B12R0.206 C/C=C\CCCO[C@@H](C)CCCC 6b5c0ec32dcef11550c7628ef579f385 [0,3,0,0,0,0|0,0,0]=3 23016 B12R0.206 C/C=C\CCCO[C@H](C)CCCC 908b5319b7d612757531a5562a9be64e [0,3,0,0,0,0|0,0,0]=3 23017 B12R0.206 C=C(COCCCCC)OCOC 0bae17c92eaf610ff0ef21bb907e0496 [0,3,0,0,0,0|0,0,1]=4 23018 B12R0.206 C=CCCC(C)OCCCCCC a07a85d0df9a2dfe098ac73b6615c606 [0,3,0,0,0,0|0,0,1]=4 23019 B12R0.206 C=CCCC(C)OCCCCCF 5527ed60534e3b0d7a75626f02511453 [0,3,0,0,0,0|0,0,1]=4 23020 B12R0.206 C=CCCC(C)OCCCCOC 6e24e9494072403607ec2c572bf7df4f [0,3,0,0,0,0|0,0,1]=4 23021 B12R0.206 C=CCCC(C)OCCCCSC 4bff00b87abcce0c508db56eef7a1785 [0,3,0,0,0,0|0,0,1]=4 23022 B12R0.206 C=CCCC(C)OCCCOCC 46d22dd067433f738775c912d6c0527c [0,3,0,0,0,0|0,0,1]=4 23023 B12R0.206 C=CCCC(C)OCCCSCC 8abae4226c31094995f49fa18cf83c9f [0,3,0,0,0,0|0,0,1]=4 23024 B12R0.206 C=CCCC(C)OCCOCCC a503dc04134ec44c201090ce9bd182c2 [0,3,0,0,0,0|0,0,1]=4 23025 B12R0.206 C=CCCC(C)OCCSCCC b2377c573d89c5e8b1d20fb36dd76c2e [0,3,0,0,0,0|0,0,1]=4 23026 B12R0.206 C=CCCC(C)OCOCCCC 0c55c82f2ae9fec3b7080143848e4d03 [0,3,0,0,0,0|0,0,1]=4 23027 B12R0.206 C=CCCC(O)CNCCCCC a2977035338255c5ef40303357e2d2a2 [0,3,0,0,0,0|1,0,0]=4 23028 B12R0.206 C=CCCCCCN(C)CCCC 58e0e7af91f2e42b12a66692716bd7fd [0,3,0,0,0,0|1,0,0]=4 23029 B12R0.206 C=CCCCCNC(C)CCCC 715c803b2260450df827c601cc37de48 [0,3,0,0,0,0|1,0,0]=4 23030 B12R0.206 C=CCCCCN[C@H](C)CCCC fe6059d391e1ef597bbfa889abfa16ed [0,3,0,0,0,0|1,0,0]=4 23031 B12R0.206 C=CCCCCOC(C)CCCC b6e03e6bb02774c37c77f44ad523f1f7 [0,3,0,0,0,0|0,0,0]=3 23032 B12R0.206 C=CCCCCOC(C)CCOC b84c72d56fff8de6326ca3fb948c8046 [0,3,0,0,0,0|0,0,1]=4 23033 B12R0.206 C=CCCCCOC(C)CCSC 4c238f6792082fcd989821683f555695 [0,3,0,0,0,0|0,0,1]=4 23034 B12R0.206 C=CCCCCOC(C)COCC 1ca18d335c00f25640af8c5e90442ea7 [0,3,0,0,0,0|0,0,1]=4 23035 B12R0.206 C=CCCCCO[C@@H](C)CCCC b9c3a39d90561dcec32e98c4c0954e56 [0,3,0,0,0,0|0,0,0]=3 23036 B12R0.206 C=CCCCCO[C@H](C)CCCC e149b8d241e9c4bef54cf45ba7f90f55 [0,3,0,0,0,0|0,0,0]=3 23037 B12R0.206 C=CCCCOCC(C)CCCC 9bbfa384ac58f77c4637531cf7e5573b [0,3,0,0,0,0|0,0,1]=4 23038 B12R0.206 C=CCCCOCC(C)COCC b0ed348fa553805f17c96c8805646165 [0,3,0,0,0,0|0,0,1]=4 23039 B12R0.206 C=CCCN(C)CCOCCCC 9048d81903dceb7eb2cbe7914499ca8a [0,3,0,0,0,0|0,0,1]=4 23040 B12R0.206 C=CCC[C@@H](C)OCCCCCC 4f56421297f65e75bbb31bd8dd4abc38 [0,3,0,0,0,0|0,0,1]=4 23041 B12R0.206 C=CCC[C@@H](C)OCCCCCF 0c0d0e4f45f422457832d6e84b7950c5 [0,3,0,0,0,0|0,0,1]=4 23042 B12R0.206 C=CCC[C@@H](C)OCCCCOC 13ff16a50b8c91a444beb2f249ea81fa [0,3,0,0,0,0|0,0,1]=4 23043 B12R0.206 C=CCC[C@@H](C)OCCCOCC 159b1d0a68b0179953340b4431ad15d7 [0,3,0,0,0,0|0,0,1]=4 23044 B12R0.206 C=CCC[C@@H](C)OCCCSCC 0b4fbfab50a354a4a7616dab83da91c7 [0,3,0,0,0,0|0,0,1]=4 23045 B12R0.206 C=CCC[C@@H](C)OCCOCCC 74b47c9e221838060c2d4678e18e1a78 [0,3,0,0,0,0|0,0,1]=4 23046 B12R0.206 C=CCC[C@@H](C)OCOCCCC 13f05ad5aff0b15f070d63d751b82484 [0,3,0,0,0,0|0,0,1]=4 23047 B12R0.206 C=CCC[C@@H](O)CNCCCCC 4e4a27af9c21fbf218bd4133fc111ac9 [0,3,0,0,0,0|1,0,0]=4 23048 B12R0.206 C=CCOCCOC(C)CCCC a60a5d8ce063d950dd6813a0bc57d868 [0,3,0,0,0,0|0,0,1]=4 23049 B12R0.206 C=CCOCCO[C@@H](C)CCCC 614203083a4e4686be9bf17c5715fbae [0,3,0,0,0,0|0,0,1]=4 23050 B12R0.206 C=CCOCCO[C@H](C)CCCC f1bcc68cee9c590b879b4809a7b09eae [0,3,0,0,0,0|0,0,1]=4 23051 B12R0.206 CC#CCCCOC(C)CCCC cf240c925877646eb528f0994fe25310 [0,3,0,0,0,0|0,0,0]=3 23052 B12R0.206 CC(CCCO)NCCCCCCl 8d5a45b8e0ec3709b874bb910f20d881 [0,3,0,0,0,0|1,0,0]=4 23053 B12R0.206 CC(CCCO)NCCCCCF c3d48b11e8f74de2542bd7caf989dffb [0,3,0,0,0,0|1,0,0]=4 23054 B12R0.206 CC(CCCO)NCCCCCO b98a0fbef28ae8a6423068c23c15a6bb [0,3,0,0,0,0|1,0,0]=4 23055 B12R0.206 CC/C=C/CCOC(C)CCCC e88db4de158c05cd7d055f606f6e9bde [0,3,0,0,0,0|0,0,0]=3 23056 B12R0.206 CC/C=C/COCC(C)CCCC 59414a99b19a27cbae1abcaa37ae78a4 [0,3,0,0,0,0|0,0,1]=4 23057 B12R0.206 CC/C=C/COCC(C)COCC a0881b05ee4e9e98f808d43d4c2f43ff [0,3,0,0,0,0|0,0,1]=4 23058 B12R0.206 CC/C=C\CCNC(C)CCCC 8d869dea513cd452265416076e2c6df2 [0,3,0,0,0,0|1,0,0]=4 23059 B12R0.206 CC/C=C\CCN[C@H](C)CCCC 5858a515333bbc0d0bfae419f5ff619b [0,3,0,0,0,0|1,0,0]=4 23060 B12R0.206 CC/C=C\CCOC(C)CCCC e75fb44695bcc9916114aa36898f33b4 [0,3,0,0,0,0|0,0,0]=3 23061 B12R0.206 CC/C=C\CCOC(C)CCOC 6f47cf8d324fef3e097fc1ff6bf26ff0 [0,3,0,0,0,0|0,0,1]=4 23062 B12R0.206 CC/C=C\CCOC(C)CCSC 0b1b5b7d508f01d4df3cd380efd042b8 [0,3,0,0,0,0|0,0,1]=4 23063 B12R0.206 CC/C=C\CCOC(C)COCC 2bd4dab7707dfe31e8b0eef8cf9cb040 [0,3,0,0,0,0|0,0,1]=4 23064 B12R0.206 CC/C=C\CCO[C@@H](C)CCCC 22e34ec79d10eb7a22946c6504044bcb [0,3,0,0,0,0|0,0,0]=3 23065 B12R0.206 CC/C=C\CCO[C@H](C)CCCC 2a7cdc60f19cc632aa22bc7ba8b7c600 [0,3,0,0,0,0|0,0,0]=3 23066 B12R0.206 CC=C=CCCOC(C)CCCC 4bbf0c578794de5ef400f57031135699 [0,3,0,0,0,0|0,0,1]=4 23067 B12R0.206 CC=CCCCOC(C)CCCC f6e9bd41fb7884919a58244f1acd883b [0,3,0,0,0,0|0,0,0]=3 23068 B12R0.206 CCC#CC(C)OCCCCCC 99cb8a5cbf4e3668f2c761e8ffe9efba [0,3,0,0,0,0|0,0,1]=4 23069 B12R0.206 CCC#CC(C)OCCCCCF c5279b8bc3ce6308b25af10dafb603c8 [0,3,0,0,0,0|0,0,1]=4 23070 B12R0.206 CCC#CC(C)OCCCCOC ff44aaa86b84d5f9ea94de0ed806bf3c [0,3,0,0,0,0|0,0,1]=4 23071 B12R0.206 CCC#CC(C)OCCCOCC 27387bedf7dee3dcc46957e863aaa105 [0,3,0,0,0,0|0,0,1]=4 23072 B12R0.206 CCC#CC(C)OCCCSCC b236578b7297fe5872dc6c4eca937ecb [0,3,0,0,0,0|0,0,1]=4 23073 B12R0.206 CCC#CC(C)OCCOCCC 184f2e740e451631752fc8c8b70c50d8 [0,3,0,0,0,0|0,0,1]=4 23074 B12R0.206 CCC#CC(C)OCOCCCC 9766d3dd6d7ef368b6371f8ef00328fe [0,3,0,0,0,0|0,0,1]=4 23075 B12R0.206 CCC#CCCOC(C)CCCC e59229d6556df816735b47bd1254abaa [0,3,0,0,0,0|0,0,0]=3 23076 B12R0.206 CCC/C=C/CNC(C)CCCC f5daa8dae18bae324ec75e51f0535fab [0,3,0,0,0,0|1,0,0]=4 23077 B12R0.206 CCC/C=C/CN[C@H](C)CCCC 36cfc4757a7e6c3fad9d3923c618f541 [0,3,0,0,0,0|1,0,0]=4 23078 B12R0.206 CCC/C=C/COC(C)CCCC d611120afab74731c790815d8dcf4672 [0,3,0,0,0,0|0,0,0]=3 23079 B12R0.206 CCC/C=C/COC(C)CCOC aeedd3ed7028cf85d8370a40b07970fa [0,3,0,0,0,0|0,0,1]=4 23080 B12R0.206 CCC/C=C/COC(C)CCSC 47d4f3a6795832514da959ee3f4e9364 [0,3,0,0,0,0|0,0,1]=4 23081 B12R0.206 CCC/C=C/COC(C)COCC 864baaf07e03d64c74907b356cf18ef9 [0,3,0,0,0,0|0,0,1]=4 23082 B12R0.206 CCC/C=C/CO[C@@H](C)CCCC 3508c7549c69d1d8885b6d4720d228fd [0,3,0,0,0,0|0,0,0]=3 23083 B12R0.206 CCC/C=C/CO[C@H](C)CCCC 7d761481da3f22934837a54e9435d1c7 [0,3,0,0,0,0|0,0,0]=3 23084 B12R0.206 CCC/C=C\CNC(C)CCCC 458ba6b82a8f2cd9e8c54be9996a10a6 [0,3,0,0,0,0|1,0,0]=4 23085 B12R0.206 CCC/C=C\CN[C@H](C)CCCC 6d53f73793a2e7222eba45e3520470ff [0,3,0,0,0,0|1,0,0]=4 23086 B12R0.206 CCC/C=C\COC(C)CCCC ce7a08a9784925ce1ccdc9a11607ff93 [0,3,0,0,0,0|0,0,0]=3 23087 B12R0.206 CCC/C=C\COC(C)CCOC 3dd8ae5673f37cc70dfed793f9d9ef7d [0,3,0,0,0,0|0,0,1]=4 23088 B12R0.206 CCC/C=C\COC(C)CCSC 41e6b69336b8a0e5fad6d83e7d676b5e [0,3,0,0,0,0|0,0,1]=4 23089 B12R0.206 CCC/C=C\COC(C)COCC 9773cb20f367b2cc5ca0c3e1e14a413b [0,3,0,0,0,0|0,0,1]=4 23090 B12R0.206 CCC/C=C\CO[C@@H](C)CCCC d5dfa1de952f1c76b714396319eebaf0 [0,3,0,0,0,0|0,0,0]=3 23091 B12R0.206 CCC/C=C\CO[C@H](C)CCCC 638f50fcc5768f629dd90fb92440ac34 [0,3,0,0,0,0|0,0,0]=3 23092 B12R0.206 CCCC#CCOC(C)CCCC d304dfb43bbad8656d090e00d69828ac [0,3,0,0,0,0|0,0,0]=3 23093 B12R0.206 CCCC/C=C/CN(C)CCCC ed5c150ed8fe2ad47b644105cee021f9 [0,3,0,0,0,0|1,0,0]=4 23094 B12R0.206 CCCC/C=C\CN(C)CCCC d76666356edf965dde3eea17a7383c39 [0,3,0,0,0,0|1,0,0]=4 23095 B12R0.206 CCCCC(=O)NCCCCCCl dcdbba3f08bf0589d9296e6e29d70622 [0,3,0,0,0,0|1,0,0]=4 23096 B12R0.206 CCCCC(=O)NCCCCCO 708187ab56d55406ad6cd96937fc37bb [0,3,0,0,0,0|1,0,0]=4 23097 B12R0.206 CCCCC(=O)NCCCCOC c4313a1c3e6c2aebdb57cb893af968e7 [0,3,0,0,0,0|1,0,0]=4 23098 B12R0.206 CCCCC(=O)NCCCCSC 7eb15abe44572fb34f98eb85f223c298 [0,3,0,0,0,0|1,0,0]=4 23099 B12R0.206 CCCCC(=O)NCCCOCC 1ab2a8b6d814674961e457a217ed670b [0,3,0,0,0,0|1,0,0]=4 23100 B12R0.206 CCCCC(=O)NCCOCCC 6a024cb730827e4472b09220771d10fd [0,3,0,0,0,0|1,0,0]=4 23101 B12R0.206 CCCCC(=O)OCNCCCCl 2b82437783a22e441e7af4b857b75da5 [0,3,0,0,0,0|0,0,1]=4 23102 B12R0.206 CCCCC(=O)OCNCCCO a21688c02faef6a46a4d0fd1a2d1a399 [0,3,0,0,0,0|0,0,1]=4 23103 B12R0.206 CCCCC(=O)OCNCCOC a17bb70a03baa300c62dcd09166d8f5a [0,3,0,0,0,0|0,0,1]=4 23104 B12R0.206 CCCCC(=O)OCNCCSC f6e1e41007aefec042962bbd8a2d8ae5 [0,3,0,0,0,0|0,0,1]=4 23105 B12R0.206 CCCCC(=O)OCOCCCF 310538ecf4f81a7112815e982f334f02 [0,3,0,0,0,0|0,0,1]=4 23106 B12R0.206 CCCCC(=O)OCOCCCS bfb274ea145689aeed7fedbbe26273b5 [0,3,0,0,0,0|0,0,1]=4 23107 B12R0.206 CCCCC(=O)OCOCCOC 67464e6bcd00b2f399726c08cf6df997 [0,3,0,0,0,0|0,0,1]=4 23108 B12R0.206 CCCCC(=O)OCOCCSC c0956cf633ab54833b5339fa281db62d [0,3,0,0,0,0|0,0,1]=4 23109 B12R0.206 CCCCC(C)CCCCOCC 6c0ab479ca4e4d91d9675a6e499333e9 [0,3,0,0,0,0|1,0,0]=4 23110 B12R0.206 CCCCC(C)CCCCOCF 5b52eb00abd75ffd94011aa8e7372b0d [0,3,0,0,0,0|1,0,0]=4 23111 B12R0.206 CCCCC(C)CCOCCCF 873aac731ef875e426c4fd1e44b1cbd7 [0,3,0,0,0,0|1,0,0]=4 23112 B12R0.206 CCCCC(C)CCOCCCS d4745898c06230f6b5523aa0fc0aa4e6 [0,3,0,0,0,0|1,0,0]=4 23113 B12R0.206 CCCCC(C)CCOCCOC 51e52f9db349b10abd7a92bc81cbba0c [0,3,0,0,0,0|1,0,0]=4 23114 B12R0.206 CCCCC(C)CCOCCSC ab47e4da6821b9741dd3aacc255796e5 [0,3,0,0,0,0|1,0,0]=4 23115 B12R0.206 CCCCC(C)CCOCOCC 389e71c0c6e4941d9f9ee8c5422c00cc [0,3,0,0,0,0|1,0,0]=4 23116 B12R0.206 CCCCC(C)COCCCC#N 025149083f4ba59571af4584c77dc1ef [0,3,0,0,0,0|0,0,1]=4 23117 B12R0.206 CCCCC(C)COCCCC=O 42011d543b34187ad3aec6ec0d68700a [0,3,0,0,0,0|0,0,1]=4 23118 B12R0.206 CCCCC(C)COCCCCF 8c591664633acc440d87a1e13ceb86af [0,3,0,0,0,0|0,0,0]=3 23119 B12R0.206 CCCCC(C)COCCCOC 99246c51fb1d7bc55a7fc90fe2e61a60 [0,3,0,0,0,0|0,0,0]=3 23120 B12R0.206 CCCCC(C)COCCCSC 9e3b61e9ac93e5d788626260ead8029b [0,3,0,0,0,0|0,0,0]=3 23121 B12R0.206 CCCCC(C)COCCOCC 083dab50faf6d02a8bcd44239c21b0ce [0,3,0,0,0,0|0,0,0]=3 23122 B12R0.206 CCCCC(C)COCCSCC b4a759f25566ac67c1b679cf148f3bc2 [0,3,0,0,0,0|0,0,0]=3 23123 B12R0.206 CCCCC(C)NCCCCC#N 73b0d67b8129ff231a460e65582f3658 [0,3,0,0,0,0|1,0,0]=4 23124 B12R0.206 CCCCC(C)NCCCCC=O 414b0fe22fba84897eefbba061c37aa4 [0,3,0,0,0,0|1,0,0]=4 23125 B12R0.206 CCCCC(C)NCCCCCCl 05f96c69a1d19e1a98626cea46b1e6c2 [0,3,0,0,0,0|1,0,0]=4 23126 B12R0.206 CCCCC(C)NCCCCCF 7df3ff20681d8ef0c8e30a37eb970bdb [0,3,0,0,0,0|1,0,0]=4 23127 B12R0.206 CCCCC(C)NCCCCCO a2ba4bf7aa1461784556575fc817063a [0,3,0,0,0,0|1,0,0]=4 23128 B12R0.206 CCCCC(C)NCCCCOC c81662a829c51049c6f68a62506546c7 [0,3,0,0,0,0|1,0,0]=4 23129 B12R0.206 CCCCC(C)NCCCCON 51939a5254d13feae498293e73e7fde4 [0,3,0,0,0,0|1,0,0]=4 23130 B12R0.206 CCCCC(C)NCCCCSC 3264d1df1e640c99647df220a7ef1153 [0,3,0,0,0,0|1,0,0]=4 23131 B12R0.206 CCCCC(C)NCCCOCC 635379ed6522275d2d5ec173edada455 [0,3,0,0,0,0|1,0,0]=4 23132 B12R0.206 CCCCC(C)NCCCSCC 3c528675ca892254adba809cab9c1055 [0,3,0,0,0,0|1,0,0]=4 23133 B12R0.206 CCCCC(C)NCCOCCC 923d373a083a6becd441fba73bba2dd0 [0,3,0,0,0,0|1,0,0]=4 23134 B12R0.206 CCCCC(C)NCCOCCO e4ec20c44b531fc0b06315bdf33abe27 [0,3,0,0,0,0|1,0,0]=4 23135 B12R0.206 CCCCC(C)NCCOCCS 4efdea775817db3d7a3deb5a5398dffa [0,3,0,0,0,0|1,0,0]=4 23136 B12R0.206 CCCCC(C)NCCOCOC c2b11dd601eb97b30c96e89aceca06c9 [0,3,0,0,0,0|1,0,0]=4 23137 B12R0.206 CCCCC(C)NCCSCCO 44ef2dc3c6a6a80b0a9fdc699bde095f [0,3,0,0,0,0|1,0,0]=4 23138 B12R0.206 CCCCC(C)NCOCCOC 28ee9f1a4c8272e1596384013595f577 [0,3,0,0,0,0|1,0,0]=4 23139 B12R0.206 CCCCC(C)OCCCCC#N 5790e0f8b95b3924322aa1a09bb3635c [0,3,0,0,0,0|0,0,0]=3 23140 B12R0.206 CCCCC(C)OCCCCC=O b22e1c7fddb506697e07b98eeea949b2 [0,3,0,0,0,0|0,0,0]=3 23141 B12R0.206 CCCCC(C)OCCCCCF bf04d3e0de7dcb90c8001ff3f6f7086d [0,3,0,0,0,0|0,0,0]=3 23142 B12R0.206 CCCCC(C)OCCCCOC 7afedb2db2f8c9a17f735be5c8490f9d [0,3,0,0,0,0|0,0,0]=3 23143 B12R0.206 CCCCC(C)OCCCCSC f9f969910220b3c1ffa53cd63b9948a4 [0,3,0,0,0,0|0,0,0]=3 23144 B12R0.206 CCCCC(C)OCCCOCC 1ab9408c03cf3f53e335e3510f64bc84 [0,3,0,0,0,0|0,0,0]=3 23145 B12R0.206 CCCCC(C)OCCCSCC c6fe2fd5a302a2381441e131228d16ff [0,3,0,0,0,0|0,0,0]=3 23146 B12R0.206 CCCCC(C)OCCOCC#N c4f9d86c82b9a490df7b8fcc373fd31e [0,3,0,0,0,0|0,0,1]=4 23147 B12R0.206 CCCCC(C)OCCOCC=O f70a02217c37be01f9b53ba3c6c7b7af [0,3,0,0,0,0|0,0,1]=4 23148 B12R0.206 CCCCC(C)OCCOCCC 9d82b151ea3cb68e3b56c8b90601635d [0,3,0,0,0,0|0,0,0]=3 23149 B12R0.206 CCCCC(C)OCCOCCF e914e94935361c5c9700df9bae142be9 [0,3,0,0,0,0|0,0,0]=3 23150 B12R0.206 CCCCC(C)OCCOCCS f2fc8ad71eb9b98dadc0c2e2a6242a0b [0,3,0,0,0,0|0,0,0]=3 23151 B12R0.206 CCCCC(C)OCCOCOC 904550af011decfb7da5ca6247f801cf [0,3,0,0,0,0|0,0,0]=3 23152 B12R0.206 CCCCC(C)OCCSCCC 7fb386462bc88f8ca1ab0ed7b2778edc [0,3,0,0,0,0|0,0,0]=3 23153 B12R0.206 CCCCC(C)OCOCCOC 78fc3ef7c436f0bca9fea6893689d758 [0,3,0,0,0,0|0,0,0]=3 23154 B12R0.206 CCCCC(O)CNCCCCF 73da91367d2a3fbb21835f1e549490c8 [0,3,0,0,0,0|1,0,0]=4 23155 B12R0.206 CCCCC(O)CNCCCCO 20d72b6a001ed6d74e6b7f6baf40b3eb [0,3,0,0,0,0|1,0,0]=4 23156 B12R0.206 CCCCC(O)CNCCCOC 4df15090270e21bbd345145e26454920 [0,3,0,0,0,0|1,0,0]=4 23157 B12R0.206 CCCCC(O)CNCCCSC 79af61eab9f31277df60c0abf09e1c08 [0,3,0,0,0,0|1,0,0]=4 23158 B12R0.206 CCCCC(O)CNCCOCC 3bdb76195c4fa1565763167d34e99b4e [0,3,0,0,0,0|1,0,0]=4 23159 B12R0.206 CCCCC(O)CNCCSCC 3cd40b76925feda06564b2a2277687d7 [0,3,0,0,0,0|1,0,0]=4 23160 B12R0.206 CCCCCCCC(=O)NCCC 803c3b5f65103b7f1c85f768d717c2f2 [0,3,0,0,0,0|1,0,0]=4 23161 B12R0.206 CCCCCCCC(C)COCC 1a3b833b2e2f5b7a93f9e25621f74f4b [0,3,0,0,0,0|1,0,0]=4 23162 B12R0.206 CCCCCCCC(C)COCF 7dcf55f14167fbebd750bf9b52b3439f [0,3,0,0,0,0|1,0,0]=4 23163 B12R0.206 CCCCCCCC(C)OCCC ff15cb47ec2eae70e616a2b282843d08 [0,3,0,0,0,0|1,0,0]=4 23164 B12R0.206 CCCCCCCC(C)OCCF 916fbca5b7c986f612e77a8b73c14885 [0,3,0,0,0,0|1,0,0]=4 23165 B12R0.206 CCCCCCCC(C)OCCS 28e0ad8aebadb16b5dc6cd32ffd3201f [0,3,0,0,0,0|1,0,0]=4 23166 B12R0.206 CCCCCCCC(C)OCOC 9017349d795a046b9d47e1009ad71dbc [0,3,0,0,0,0|1,0,0]=4 23167 B12R0.206 CCCCCCCC(C)OCSC 4ebf05daa4c2f9ca1b31902866d0df90 [0,3,0,0,0,0|1,0,0]=4 23168 B12R0.206 CCCCCCCN(C)CCCC bb7bd898ca5eda84b35b1a3442b53bf8 [0,3,0,0,0,0|1,0,0]=4 23169 B12R0.206 CCCCCCCN(C)CCCF 4d4069666d2b0355ffcc3f52e217ce8f [0,3,0,0,0,0|1,0,0]=4 23170 B12R0.206 CCCCCCCN(C)CCCO d7ddd12e9bc0e2922d7d4b707ab593d4 [0,3,0,0,0,0|1,0,0]=4 23171 B12R0.206 CCCCCCCN(C)CCCS 0c6cc06451bf319b3c9f3550d234b4ae [0,3,0,0,0,0|1,0,0]=4 23172 B12R0.206 CCCCCCCN(C)CCOC 8b6f66e58decc84b72952b03c847b10b [0,3,0,0,0,0|1,0,0]=4 23173 B12R0.206 CCCCCCCN(C)CCSC 65c0fb756e262a2cc8e2580b93df1f77 [0,3,0,0,0,0|1,0,0]=4 23174 B12R0.206 CCCCCCCN(C)COCC 4e70e8c35aece0c85dbee65f0956cdfe [0,3,0,0,0,0|1,0,0]=4 23175 B12R0.206 CCCCCCC[C@H](C)NCCC 9e90aff5073fb1bac27e0ed9d66e782b [0,3,0,0,0,0|1,0,0]=4 23176 B12R0.206 CCCCCCC[C@H](C)NCCF 4087d274207839fcaa2b4bca0fd3cfd6 [0,3,0,0,0,0|1,0,0]=4 23177 B12R0.206 CCCCCCC[C@H](C)NCCO 46bf033bf9c627c262870b9157954af3 [0,3,0,0,0,0|1,0,0]=4 23178 B12R0.206 CCCCCCC[C@H](C)NCCS beba81e3a925d4a2875f7b8ffddcc739 [0,3,0,0,0,0|1,0,0]=4 23179 B12R0.206 CCCCCCC[C@H](C)NCOC e1b33afa59e5051b8efc2ab708a2f114 [0,3,0,0,0,0|1,0,0]=4 23180 B12R0.206 CCCCCCC[C@H](C)NCSC 78ac358e5282d0943ee92316636a833a [0,3,0,0,0,0|1,0,0]=4 23181 B12R0.206 CCCCCCNC(=O)CCCC 70acaae11b2c6b1fd45feafe6ffa5b78 [0,3,0,0,0,0|1,0,0]=4 23182 B12R0.206 CCCCCCNC(C)CCCC 8123fc097773e6444cf04adf12a38526 [0,3,0,0,0,0|1,0,0]=4 23183 B12R0.206 CCCCCCNC(C)CCCO 094fe4e7c5e0bb99179dc661a5a91c5a [0,3,0,0,0,0|1,0,0]=4 23184 B12R0.206 CCCCCCN[C@H](C)CCCC 9b9ad1cd48de6b21569a8ea12d0874c3 [0,3,0,0,0,0|1,0,0]=4 23185 B12R0.206 CCCCCCN[C@H](C)CCCO 74976d6e8fcf610c5a26880618d2ce74 [0,3,0,0,0,0|1,0,0]=4 23186 B12R0.206 CCCCCCOC(C)CCC#N 419ae4678055e967db3a4088b5a564d8 [0,3,0,0,0,0|0,0,1]=4 23187 B12R0.206 CCCCCCOC(C)CCCC 04829ec059dfcfc9e75c6467e18f1e92 [0,3,0,0,0,0|0,0,0]=3 23188 B12R0.206 CCCCCCOC(C)CCOC 000371982cd4340a9d912acaaf8a3a5d [0,3,0,0,0,0|0,0,0]=3 23189 B12R0.206 CCCCCCOC(C)COCC f5734d6ba6eb4c2590774e45a8431094 [0,3,0,0,0,0|0,0,0]=3 23190 B12R0.206 CCCCCCO[C@@H](C)CCCC dab3ff5e215dce23cef3459580579ba3 [0,3,0,0,0,0|0,0,0]=3 23191 B12R0.206 CCCCCCO[C@H](C)CCCC ef87ba988f98c72c2e57f873fe3da34a [0,3,0,0,0,0|0,0,0]=3 23192 B12R0.206 CCCCCNCC(=O)CCSC b8660bc8e2dae8d3245382c0aefef5b9 [0,3,0,0,0,0|1,0,0]=4 23193 B12R0.206 CCCCCNCC(=O)NCCC 485c0e9fef70d914d1fa68888287aa18 [0,3,0,0,0,0|1,0,0]=4 23194 B12R0.206 CCCCCNCC(=O)OCCC de2a306fea09af86abf0893fd5e0c26b [0,3,0,0,0,0|1,0,0]=4 23195 B12R0.206 CCCCCNCC(O)CCCC 75e5fa7af3203939f2d6e569dbdc0cea [0,3,0,0,0,0|1,0,0]=4 23196 B12R0.206 CCCCCNCC(O)COCC 9d55349b64fd687da67ddbb7a1517687 [0,3,0,0,0,0|1,0,0]=4 23197 B12R0.206 CCCCCNC[C@H](C)CCCO b59790b3c42b5b08abc08a0569d3fb52 [0,3,0,0,0,0|1,0,0]=4 23198 B12R0.206 CCCCCOCC(=O)CCSC e0465f9fcf86d30a9a9b3a436d617fe7 [0,3,0,0,0,0|0,0,0]=3 23199 B12R0.206 CCCCCOCC(=O)NCCC abc22212e9071637d4f7daf41e0c511d [0,3,0,0,0,0|0,0,0]=3 23200 B12R0.206 CCCCCOCC(=O)OCCC e665b649604e19dd7431faa0ad8c8b23 [0,3,0,0,0,0|0,0,0]=3 23201 B12R0.206 CCCCCOCC(C)CCCC 2ea0599d204bbef90064f33a9da25d48 [0,3,0,0,0,0|0,0,0]=3 23202 B12R0.206 CCCCCOCC(C)COCC d965ca1772f36ff8ea686f6cfa16d188 [0,3,0,0,0,0|0,0,0]=3 23203 B12R0.206 CCCCCOC[C@@H](C)OCOC c8a92ee1291e7c2f13ada2afc8b2031e [0,3,0,0,0,0|0,0,0]=3 23204 B12R0.206 CCCCN(C)CCCCCC#N 0e507c4e16d8746521d99d540591ba0f [0,3,0,0,0,0|1,0,0]=4 23205 B12R0.206 CCCCN(C)CCCCCC=O a069bd53758ff10421fa640a97f671fb [0,3,0,0,0,0|1,0,0]=4 23206 B12R0.206 CCCCN(C)CCCCCCF 3b6f5507ffac34d75865e5bb9233f920 [0,3,0,0,0,0|1,0,0]=4 23207 B12R0.206 CCCCN(C)CCCCCCO 792369f7a000f71581911f8121bad7cc [0,3,0,0,0,0|1,0,0]=4 23208 B12R0.206 CCCCN(C)CCCCCOC 8d4d70e946c8412f706130b5c6ee7d87 [0,3,0,0,0,0|1,0,0]=4 23209 B12R0.206 CCCCN(C)CCCNCCC 2bce4d9cc316bd92d4b6bd4d2d0f8b6f [0,3,0,0,0,0|1,0,0]=4 23210 B12R0.206 CCCCN(C)CCCNCCF 2b28ea111d9847e6ff6ce3b816e38edc [0,3,0,0,0,0|1,0,0]=4 23211 B12R0.206 CCCCN(C)CCCNCCO 5424a32478dcef064dfb07c28f2f0350 [0,3,0,0,0,0|1,0,0]=4 23212 B12R0.206 CCCCN(C)CCCNCCS b3a308824e457a91a62f7d8a443116bb [0,3,0,0,0,0|1,0,0]=4 23213 B12R0.206 CCCCN(C)CCCNCOC f6100c345dcc5620d33c6ffe0026599f [0,3,0,0,0,0|1,0,0]=4 23214 B12R0.206 CCCCN(C)CCCNCSC 0a762b424920e6aa2bcb5d20ba49a33b [0,3,0,0,0,0|1,0,0]=4 23215 B12R0.206 CCCCN(C)CCCOCCC 6ef021722f15007cb0e698f9d9f54cc5 [0,3,0,0,0,0|1,0,0]=4 23216 B12R0.206 CCCCN(C)CCNCCCF c18f025afa539a04df69d48a48ed22e2 [0,3,0,0,0,0|1,0,0]=4 23217 B12R0.206 CCCCN(C)CCNCCCO f7bb78addd7e25803745182319a41c1a [0,3,0,0,0,0|1,0,0]=4 23218 B12R0.206 CCCCN(C)CCNCCCS 8a255bad995e30a157ca2eb4320ad475 [0,3,0,0,0,0|1,0,0]=4 23219 B12R0.206 CCCCN(C)CCNCCOC fa453253bdbb8e54b5e185fac7a1f8de [0,3,0,0,0,0|1,0,0]=4 23220 B12R0.206 CCCCN(C)CCNCCSC 8ddcfcad27c66f0bea7ad0367a635083 [0,3,0,0,0,0|1,0,0]=4 23221 B12R0.206 CCCCN(C)CCNCOCC c9916867a2010e847e56e36948cda867 [0,3,0,0,0,0|1,0,0]=4 23222 B12R0.206 CCCCN(C)CCOCCOC 82e7b24582603015e06d157c68c0a2dd [0,3,0,0,0,0|1,0,0]=4 23223 B12R0.206 CCCCNCCN(C)CCCC 071473a26d5fc3083c8b21faaecf84b1 [0,3,0,0,0,0|1,0,0]=4 23224 B12R0.206 CCCCNCOC(=O)CCCC 1bafb601242da8a8d946db52f1bbeaf0 [0,3,0,0,0,0|0,0,0]=3 23225 B12R0.206 CCCCNCOC(=O)OCCC d83cefbdb3981c9e3c96c1cd40b4f56b [0,3,0,0,0,0|0,0,1]=4 23226 B12R0.206 CCCCOCCC(=O)NCCBr 1f6476d461fab6f2d3cf2b6fa4703df2 [0,3,0,0,0,0|0,0,1]=4 23227 B12R0.206 CCCCOCCC(=O)NCCC 73e057edf46603d2370e38c443d4a9b3 [0,3,0,0,0,0|0,0,0]=3 23228 B12R0.206 CCCCOCCC(=O)NCCF db1a56ade117c6b7b0ed0a0477088223 [0,3,0,0,0,0|0,0,1]=4 23229 B12R0.206 CCCCOCCC(=O)NCCI 4b5bcc697d9e410ccd2ea2cbf9faefd6 [0,3,0,0,0,0|0,0,1]=4 23230 B12R0.206 CCCCOCCC(=O)NCCO 67d4d72ef2bbabeb91fa0d8f5a17fbb5 [0,3,0,0,0,0|0,0,1]=4 23231 B12R0.206 CCCCOCCC(=O)NCCS 5beb6b5ee01b21622525c5f22e5baef6 [0,3,0,0,0,0|0,0,1]=4 23232 B12R0.206 CCCCOCCC(=O)OCCC 2a1b433dcea9d2880480901bab6925a9 [0,3,0,0,0,0|0,0,0]=3 23233 B12R0.206 CCCCOCCC(C)CCCC 2082b407fb82d39c1dafae93211becf9 [0,3,0,0,0,0|0,0,0]=3 23234 B12R0.206 CCCCOCCN(C)CCC#N c2c005e69db99182654d3f5dc2a14ac3 [0,3,0,0,0,0|0,0,1]=4 23235 B12R0.206 CCCCOCCN(C)CCCC 0a2e07555bf12e1e82172cffaef4efcc [0,3,0,0,0,0|0,0,0]=3 23236 B12R0.206 CCCCOCCN(C)CCCO 542c147487dfb6edae3129c5bad286b1 [0,3,0,0,0,0|0,0,0]=3 23237 B12R0.206 CCCCOCCN(C)CCOC dc3e2d572b675ce2a97af3cd9df99916 [0,3,0,0,0,0|0,0,0]=3 23238 B12R0.206 CCCCOCCN(C)CCON f6f59878171f230f2edeb644479ca30f [0,3,0,0,0,0|1,0,0]=4 23239 B12R0.206 CCCCOCCN(C)CCSC 52973624c577cc506f6a14bef28e468f [0,3,0,0,0,0|0,0,0]=3 23240 B12R0.206 CCCCOCNC(C)CCCC 2378666a276ee9b3996fb64afacf5ffe [0,3,0,0,0,0|0,0,0]=3 23241 B12R0.206 CCCCOCNC(C)CCCO c022f741fefc7dc67ad66de3a08c1c9c [0,3,0,0,0,0|0,0,0]=3 23242 B12R0.206 CCCCOCN[C@H](C)CCCC 58924a32fb5260ce9c26400c44b01538 [0,3,0,0,0,0|0,0,0]=3 23243 B12R0.206 CCCCOCN[C@H](C)CCCO 7b2dc0e6d344f0ae8aebab006bb61cfe [0,3,0,0,0,0|0,0,0]=3 23244 B12R0.206 CCCCOCOC(=O)CCCC fba6deb132e6e7f7f7861343ba29d758 [0,3,0,0,0,0|0,0,0]=3 23245 B12R0.206 CCCCOCOC(=O)OCCC 071c97a3bb68cd2ecd9925c15aaf1564 [0,3,0,0,0,0|0,0,1]=4 23246 B12R0.206 CCCCOCOC(C)CCCC cff643666b1841e94b0419a8ca406e82 [0,3,0,0,0,0|0,0,0]=3 23247 B12R0.206 CCCCOCOC(C)CCOC 4c44ec58e73321fc6770e530614fd6f8 [0,3,0,0,0,0|0,0,0]=3 23248 B12R0.206 CCCCOCOC(C)COCC a90425d6dfcbaea1c8aa22a603f0bcd7 [0,3,0,0,0,0|0,0,0]=3 23249 B12R0.206 CCCCOCO[C@@H](C)CCCC 2ab69918a5dcf2e188d06a7ba71d225a [0,3,0,0,0,0|0,0,0]=3 23250 B12R0.206 CCCCOCO[C@H](C)CCCC 9e529c83300f60abe58cff61fbc61c34 [0,3,0,0,0,0|0,0,0]=3 23251 B12R0.206 CCCC[C@@H](C)NCCCCC#N 711ed7244694a95814a9596486edc62a [0,3,0,0,0,0|1,0,0]=4 23252 B12R0.206 CCCC[C@@H](C)NCCCCC=O 3baf0d4abd71db692873e801f2cd4d42 [0,3,0,0,0,0|1,0,0]=4 23253 B12R0.206 CCCC[C@@H](C)NCCCCCF 2fa35848a17ccc80d4b2b37b1ef04969 [0,3,0,0,0,0|1,0,0]=4 23254 B12R0.206 CCCC[C@@H](C)NCCCCCO 5306a68c64d64989f2825b0e025e9b3f [0,3,0,0,0,0|1,0,0]=4 23255 B12R0.206 CCCC[C@@H](C)NCCCCOC d722d5669d47e70f7d0403ecfa9f124f [0,3,0,0,0,0|1,0,0]=4 23256 B12R0.206 CCCC[C@@H](C)NCCCCON 656d8ac91dfdd82bc2f24e8425511429 [0,3,0,0,0,0|1,0,0]=4 23257 B12R0.206 CCCC[C@@H](C)NCCCOCC 0ddc12088266f6626223f5884372147a [0,3,0,0,0,0|1,0,0]=4 23258 B12R0.206 CCCC[C@@H](C)NCCCSCC 3dfc5a641c732e6c58186dc4eb36eeb3 [0,3,0,0,0,0|1,0,0]=4 23259 B12R0.206 CCCC[C@@H](C)NCCOCCC a9da7bdd42360e185cba9b6500636a84 [0,3,0,0,0,0|1,0,0]=4 23260 B12R0.206 CCCC[C@@H](C)NCCOCCO 0e1fac91645d32ba3f926da877e60912 [0,3,0,0,0,0|1,0,0]=4 23261 B12R0.206 CCCC[C@@H](C)NCCOCOC f30e26af9d478d38f9de2525d58985b5 [0,3,0,0,0,0|1,0,0]=4 23262 B12R0.206 CCCC[C@@H](C)NCOCCOC 33e88559ca151f6799536ed14294e310 [0,3,0,0,0,0|1,0,0]=4 23263 B12R0.206 CCCC[C@@H](C)OCCCCC#N 67b161f59829518a6d1672476bda8a66 [0,3,0,0,0,0|0,0,0]=3 23264 B12R0.206 CCCC[C@@H](C)OCCCCC=O 552aac0a2df1101d3332827255e58066 [0,3,0,0,0,0|0,0,0]=3 23265 B12R0.206 CCCC[C@@H](C)OCCCCCF 4b878e38f534510ba1aaf0fb1319ebc3 [0,3,0,0,0,0|0,0,0]=3 23266 B12R0.206 CCCC[C@@H](C)OCCCCOC 813e971fbefefce8b49ba5b352f980ca [0,3,0,0,0,0|0,0,0]=3 23267 B12R0.206 CCCC[C@@H](C)OCCCOCC 807a0b97444c3ca0fdd065a16f707f87 [0,3,0,0,0,0|0,0,0]=3 23268 B12R0.206 CCCC[C@@H](C)OCCCSCC a238d48b54cc8fc890a7795385ef2124 [0,3,0,0,0,0|0,0,0]=3 23269 B12R0.206 CCCC[C@@H](C)OCCOCC#N d2ae6b740f078fc440f5b9b0390ade45 [0,3,0,0,0,0|0,0,1]=4 23270 B12R0.206 CCCC[C@@H](C)OCCOCC=O 966ec527203a9e8ba214cb0b5b4c44dd [0,3,0,0,0,0|0,0,1]=4 23271 B12R0.206 CCCC[C@@H](C)OCCOCCC 4b8e3e134a51c8394d29a1b972ebd620 [0,3,0,0,0,0|0,0,0]=3 23272 B12R0.206 CCCC[C@@H](C)OCCOCOC eb278bca53099f7bd889fb59cab705db [0,3,0,0,0,0|0,0,0]=3 23273 B12R0.206 CCCC[C@@H](C)OCOCCOC b086c6575d57077cbe16ed703ba04647 [0,3,0,0,0,0|0,0,0]=3 23274 B12R0.206 CCCC[C@H](C)OCCCCC#N 4434003d65cc4107b85670280d7f87cf [0,3,0,0,0,0|0,0,0]=3 23275 B12R0.206 CCCC[C@H](C)OCCCCC=O d34531e1c4a77343f3d0c7880163769d [0,3,0,0,0,0|0,0,0]=3 23276 B12R0.206 CCCC[C@H](C)OCCCCCF 7e4db223ea7ee2cec45180ab9442d0da [0,3,0,0,0,0|0,0,0]=3 23277 B12R0.206 CCCC[C@H](C)OCCCCOC bd688f6eb279284a1942a7f9f88f6f34 [0,3,0,0,0,0|0,0,0]=3 23278 B12R0.206 CCCC[C@H](C)OCCCOCC ae8b6821fdbddd8029a1b702b194a82b [0,3,0,0,0,0|0,0,0]=3 23279 B12R0.206 CCCC[C@H](C)OCCCSCC 5f37a63aaf1848d7ab2e17c2e6b4f2e6 [0,3,0,0,0,0|0,0,0]=3 23280 B12R0.206 CCCC[C@H](C)OCCOCC#N dff0053ebcba9632406609dc6065fd13 [0,3,0,0,0,0|0,0,1]=4 23281 B12R0.206 CCCC[C@H](C)OCCOCC=O 304bf32399c2a5b8316ae400d8c340ce [0,3,0,0,0,0|0,0,1]=4 23282 B12R0.206 CCCC[C@H](C)OCCOCCC 36c73d37039a30979884cb009b8d5009 [0,3,0,0,0,0|0,0,0]=3 23283 B12R0.206 CCCC[C@H](C)OCCOCOC 96e56b40807a701d20ca0dfdf26f30fd [0,3,0,0,0,0|0,0,0]=3 23284 B12R0.206 CCCC[C@H](C)OCOCCOC 74138a4850288f23c563693146432427 [0,3,0,0,0,0|0,0,0]=3 23285 B12R0.206 CCCNC(=O)CCOCCOC 944c62a51034113604155675c11442bc [0,3,0,0,0,0|1,0,0]=4 23286 B12R0.206 CCCNC(=O)COCCCCF c9b82e69fa17b4aefca8d0d00aae0aae [0,3,0,0,0,0|0,0,1]=4 23287 B12R0.206 CCCNC(=O)COCCCCS ea53eaedadf6023dd32c22bf87eec6b6 [0,3,0,0,0,0|0,0,1]=4 23288 B12R0.206 CCCNC(=O)COCCCOC 7f360a2792f4040b0fb0bfec743b6b00 [0,3,0,0,0,0|0,0,1]=4 23289 B12R0.206 CCCNC(=O)COCCCSC eb36332993f7710ddb644cca55e6d16b [0,3,0,0,0,0|0,0,1]=4 23290 B12R0.206 CCCNC(=O)COCCOCC 75da184737f045ab1cb4d25be30a51db [0,3,0,0,0,0|0,0,1]=4 23291 B12R0.206 CCCNC(=O)COCCSCC 4e252423249147465b1fd78bdb26182f [0,3,0,0,0,0|0,0,1]=4 23292 B12R0.206 CCCOC(=O)CCOCCCF 59c320dac474ec2811161e66e2464e17 [0,3,0,0,0,0|1,0,0]=4 23293 B12R0.206 CCCOC(=O)CCOCCCS df5e25595ce3867540563719c60661ae [0,3,0,0,0,0|1,0,0]=4 23294 B12R0.206 CCCOC(=O)CCOCCOC 7d8b07772216d464006195a1995cf433 [0,3,0,0,0,0|1,0,0]=4 23295 B12R0.206 CCCOC(=O)CCOCCSC 43393629d1c19e33dd16ab0a5b691755 [0,3,0,0,0,0|1,0,0]=4 23296 B12R0.206 CCCOC(=O)CCOCOCC e96b1f0233aac9513065515ff95e9fbb [0,3,0,0,0,0|1,0,0]=4 23297 B12R0.206 CCCOC(=O)COCCCCF c96c9c870dbd0d200fe7d90a4f625f99 [0,3,0,0,0,0|0,0,1]=4 23298 B12R0.206 CCCOC(=O)COCCCCS 90eaabb4e8b7deca2ef25ad6d664554b [0,3,0,0,0,0|0,0,1]=4 23299 B12R0.206 CCCOC(=O)COCCCOC 114b77280af3929272a16e8b43f72bb1 [0,3,0,0,0,0|0,0,1]=4 23300 B12R0.206 CCCOC(=O)COCCCSC 3af9e40c6758f83423fcf56581d905f0 [0,3,0,0,0,0|0,0,1]=4 23301 B12R0.206 CCCOC(=O)COCCOCC 9e89e3c3bac026b79da1a8c44252376c [0,3,0,0,0,0|0,0,1]=4 23302 B12R0.206 CCCOC(=O)COCCSCC 23f30dca08bdf145f9f32c210829965b [0,3,0,0,0,0|0,0,1]=4 23303 B12R0.206 CCCOCCNC(C)CCCO 25ca0bcd140a1e9e1be193c431061b24 [0,3,0,0,0,0|1,0,0]=4 23304 B12R0.206 CCCOCCN[C@H](C)CCCO 645429654bf41e69c1a0f84b9ecd4321 [0,3,0,0,0,0|1,0,0]=4 23305 B12R0.206 CCCOCCOC(C)CCC#N 87db87625350d650282da0781c073b31 [0,3,0,0,0,0|0,0,1]=4 23306 B12R0.206 CCCOCCOC(C)CCOC a009f663fde975cdb252f28ed3984257 [0,3,0,0,0,0|0,0,0]=3 23307 B12R0.206 CCCOCCOC(C)CCSC 97ea0350f68fd85deddac91e8eccf782 [0,3,0,0,0,0|0,0,0]=3 23308 B12R0.206 CCCOCCOC(C)COCC ddc586dd7909a1eef9a178c31923862f [0,3,0,0,0,0|0,0,0]=3 23309 B12R0.206 CCCSCCOC(C)CCC#N fc27979a08a0c978252fd498c8806030 [0,3,0,0,0,0|0,0,1]=4 23310 B12R0.206 CCOCC(C)COCCCC#N cfa8398c30788bd0adf95dbe406a3ef2 [0,3,0,0,0,0|0,0,1]=4 23311 B12R0.206 CCOCC(C)COCCCC=O e1743b736aa4cf0d6e1beeee6df9a75e [0,3,0,0,0,0|0,0,1]=4 23312 B12R0.206 CCOCC(C)COCCCOC 03a2f087f58a5142c7c0e0a84bd6ceb3 [0,3,0,0,0,0|0,0,0]=3 23313 B12R0.206 CCOCC(C)COCCCSC faf08f43c44b8ed394cd78fef23e0e85 [0,3,0,0,0,0|0,0,0]=3 23314 B12R0.206 CCOCC(C)OCCCCC#N a533a69cf7698077052deae35d5ac9f1 [0,3,0,0,0,0|0,0,1]=4 23315 B12R0.206 CCOCC(C)OCCCCC=O 485852fd527686bc7b488bd0c927d5a0 [0,3,0,0,0,0|0,0,1]=4 23316 B12R0.206 CCOCC(C)OCCCCCF cf7128136b97805ca7f9eb0a2d17aadf [0,3,0,0,0,0|0,0,0]=3 23317 B12R0.206 CCOCC(C)OCCCCOC 9e7ef236c3a3783c17b4a720fa58c103 [0,3,0,0,0,0|0,0,0]=3 23318 B12R0.206 CCOCC(C)OCCCSCC 958a8a7c1c278550b83f4e04a63038e4 [0,3,0,0,0,0|0,0,0]=3 23319 B12R0.206 CCOCC(C)OCCOCOC ddd743a4ae89f64682220628382e49a3 [0,3,0,0,0,0|1,0,0]=4 23320 B12R0.206 CCOCC(C)OCOCCOC 116d1fd2d8230e3cb1fafef262acd138 [0,3,0,0,0,0|1,0,0]=4 23321 B12R0.206 CCOCC(O)CNCCCCF f9884e70e0e04b7ccb32950e26e04c9e [0,3,0,0,0,0|1,0,0]=4 23322 B12R0.206 CCOCC(O)CNCCCCO 677b17ab5922dd2cffdbbe4f426b2064 [0,3,0,0,0,0|1,0,0]=4 23323 B12R0.206 CCOCC(O)CNCCCOC bc0553c235533a05a4e98d4d876de156 [0,3,0,0,0,0|1,0,0]=4 23324 B12R0.206 CCOCC(O)CNCCCSC 555594b8e9383b6b94054c3db0ca383f [0,3,0,0,0,0|1,0,0]=4 23325 B12R0.206 CCOCC(O)CNCCSCC 80e358cb7183f49daa967acb3a4be077 [0,3,0,0,0,0|1,0,0]=4 23326 B12R0.206 CCOCCCNC(C)CCCO cc0d5cc098628831d77d177df1f0d23c [0,3,0,0,0,0|1,0,0]=4 23327 B12R0.206 CCOCCCN[C@H](C)CCCO 775b6b92730187ea313e3a9427951d52 [0,3,0,0,0,0|1,0,0]=4 23328 B12R0.206 CCOCCCOC(C)CCC#N 8e934d73fb6192ced33235ceaa5ae18f [0,3,0,0,0,0|0,0,1]=4 23329 B12R0.206 CCOCCCOC(C)CCOC 9482d6cf87e4c69a8d9e46286dcda37f [0,3,0,0,0,0|0,0,0]=3 23330 B12R0.206 CCOCCCOC(C)CCSC a236ea08620ea969235bf8067cd3e48f [0,3,0,0,0,0|0,0,0]=3 23331 B12R0.206 CCOCCCOC(C)COCC 97adb156bf1de8cec63be34b891a3e48 [0,3,0,0,0,0|0,0,0]=3 23332 B12R0.206 CCOCCNCC(O)COCC 5bcb888b03edc7ad0ca151061e12673d [0,3,0,0,0,0|1,0,0]=4 23333 B12R0.206 CCOCCNC[C@H](C)CCCO 1492c3f459a7f639d659f33e895af267 [0,3,0,0,0,0|1,0,0]=4 23334 B12R0.206 CCOCCOCC(=O)CCSC dcb6bef635dc88faf72afad3ea9747f1 [0,3,0,0,0,0|0,0,1]=4 23335 B12R0.206 CCOCCOCC(C)COCC 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CCCC(C)CCOCCS(=O)C 1b568bc17bbd0fada45bfe51e033df9f [0,3,0,0,0,0|1,0,0]=4 23576 B12R0.277 CCCC(C)CCOCOC(C)C f4c20b1b38f0d64d1bf7aaa9f88b71a4 [0,3,0,0,0,0|1,0,0]=4 23577 B12R0.277 CCCC(C)CNCCCC(C)C e48f09cec2c5aecce151ba002390b711 [0,3,0,0,0,0|1,0,0]=4 23578 B12R0.277 CCCC(C)CNCCCN(C)C 446597dbbc97b18b24b5c6c2dd3861e9 [0,3,0,0,0,0|1,0,0]=4 23579 B12R0.277 CCCC(C)CNCCCS(=O)C a2c90ebd17442f4b7fe2d7dcd63f4b87 [0,3,0,0,0,0|1,0,0]=4 23580 B12R0.277 CCCC(C)CNCCOC(C)C c59071d53802cf7e67074cb510761766 [0,3,0,0,0,0|1,0,0]=4 23581 B12R0.277 CCCC(C)COC/C=C/C(C)C b5da6dd90a8cb62f1cff8a91ea1f84d7 [0,3,0,0,0,0|0,0,1]=4 23582 B12R0.277 CCCC(C)COCCC=C(C)C e01d5ab5537b0f6457995f0b8fe301e3 [0,3,0,0,0,0|0,0,1]=4 23583 B12R0.277 CCCC(C)COCCCC(=O)C 307bf8bfbeafaa85c4668533f056e5af [0,3,0,0,0,0|0,0,0]=3 23584 B12R0.277 CCCC(C)COCCCC(=O)N e6c4d875c140000083b7a4cc5cf017cc [0,3,0,0,0,0|0,0,1]=4 23585 B12R0.277 CCCC(C)COCCCC(C)C 0f0b1d43da07d56128e45b7efa4e1227 [0,3,0,0,0,0|0,0,0]=3 23586 B12R0.277 CCCC(C)COCCCN(C)C e9863c1d3570139d1654ccc42f548fa0 [0,3,0,0,0,0|0,0,0]=3 23587 B12R0.277 CCCC(C)COCCC[N+](=O)[O-] 91fcb7a4608ec5f71470a9a22d703fa9 [0,3,0,0,0,0|1,0,0]=4 23588 B12R0.277 CCCC(C)COCCNC(=O)C d8f577c8e772f240e8061689a78cd4dc [0,3,0,0,0,0|0,0,1]=4 23589 B12R0.277 CCCC(C)COCCOC(=O)C a948ba1e31f3fecdbdc800372e5ac771 [0,3,0,0,0,0|0,0,1]=4 23590 B12R0.277 CCCC(C)COCCOC(C)C bddce8dc2e428b13ebf8d09476cfaa1a [0,3,0,0,0,0|0,0,0]=3 23591 B12R0.277 CCCC(C)COCCOC(F)F 468528bb0ffc7edd4f83a289df958f29 [0,3,0,0,0,0|1,0,0]=4 23592 B12R0.277 CCCC(C)COCCSC(=O)C b77ea06ef655e3168594d5d1d0f7476d [0,3,0,0,0,0|0,0,1]=4 23593 B12R0.277 CCCC(C)COCCSC(C)C 78b8ab236697ea696a85038b7991ba17 [0,3,0,0,0,0|0,0,0]=3 23594 B12R0.277 CCCC(C)NCCCCC(=O)C 07fcc618de7add6af85de05eb8b8d96a [0,3,0,0,0,0|1,0,0]=4 23595 B12R0.277 CCCC(C)NCCCCC(C)C 6ce220d7c48a3f67fbf5c6324e6a048c [0,3,0,0,0,0|1,0,0]=4 23596 B12R0.277 CCCC(C)NCCCCC(C)O 499a1caec8002a613b9d527e927365b7 [0,3,0,0,0,0|1,0,0]=4 23597 B12R0.277 CCCC(C)NCCCCC(F)F 33fecc894ba3c208c32ab119f0f14f54 [0,3,0,0,0,0|1,0,0]=4 23598 B12R0.277 CCCC(C)NCCCCN(C)C 41a7507daa030a66e674dd8a331a741e [0,3,0,0,0,0|1,0,0]=4 23599 B12R0.277 CCCC(C)NCCCC[C@@H](C)O 223e61083955024fa1b57fd6a35cffe0 [0,3,0,0,0,0|1,0,0]=4 23600 B12R0.277 CCCC(C)NCCCOC(C)C fecf08201f66ce2cedb01a07350a6e53 [0,3,0,0,0,0|1,0,0]=4 23601 B12R0.277 CCCC(C)NCCCSC(C)C acc6b3816a86103dc2e2109c963586c7 [0,3,0,0,0,0|1,0,0]=4 23602 B12R0.277 CCCC(C)NCCOCC(C)C 576732ab85b24bfcb47f184a1be961a0 [0,3,0,0,0,0|1,0,0]=4 23603 B12R0.277 CCCC(C)OCCCCC(=O)C 9dbd5df0d94253a9bce24f8736363f9a [0,3,0,0,0,0|0,0,0]=3 23604 B12R0.277 CCCC(C)OCCCCC(=O)N 3cfc5c252c17158da8c695cfed8abbaf [0,3,0,0,0,0|0,0,1]=4 23605 B12R0.277 CCCC(C)OCCCCC(=O)O 64b544d5e46b90bfc2cfab82f84f620c [0,3,0,0,0,0|0,0,1]=4 23606 B12R0.277 CCCC(C)OCCCCC(C)C 78d3712ca26412aee34799bb98d1f532 [0,3,0,0,0,0|0,0,0]=3 23607 B12R0.277 CCCC(C)OCCCCN(C)C b27d10c4307554b0b76c04d7e64c02ce [0,3,0,0,0,0|0,0,0]=3 23608 B12R0.277 CCCC(C)OCCCC[N+](=O)[O-] 30ae0339624116ab7709eb36f63ee70a [0,3,0,0,0,0|1,0,0]=4 23609 B12R0.277 CCCC(C)OCCCNC(=O)C f4bf7d388889b97daee323d02b8e1537 [0,3,0,0,0,0|0,0,1]=4 23610 B12R0.277 CCCC(C)OCCCOC(=O)C 4ef2c3b2a41b723144673d695097fa0e [0,3,0,0,0,0|0,0,1]=4 23611 B12R0.277 CCCC(C)OCCCOC(=S)C 35ef1f0b5f40fd9cc80c42251e93b4e5 [0,3,0,0,0,0|0,0,1]=4 23612 B12R0.277 CCCC(C)OCCCOC(C)C 3bce41277ad645dd6168acaaf2bf49bc [0,3,0,0,0,0|0,0,0]=3 23613 B12R0.277 CCCC(C)OCCCSC(=O)C d5131cde20078bbef9ff63e9f915f177 [0,3,0,0,0,0|0,0,1]=4 23614 B12R0.277 CCCC(C)OCCCSC(C)C 1576a083c1e7ae9d52b6ffe0042f0108 [0,3,0,0,0,0|0,0,0]=3 23615 B12R0.277 CCCC(C)OCCOCC(C)C 710b673b99e4a963f4cb00348a264b6d [0,3,0,0,0,0|0,0,0]=3 23616 B12R0.277 CCCC(C)OCCOCC(F)F 0d225c82904ea93bc016c3b78d9b167d [0,3,0,0,0,0|1,0,0]=4 23617 B12R0.277 CCCC(C)OCCSCC(C)C c60b57ab36ea118e35c55f6ba44bbfda [0,3,0,0,0,0|0,0,0]=3 23618 B12R0.277 CCCC(O)CNCCCC(=O)C 51a4db601bf4021bb9ff9661e3601078 [0,3,0,0,0,0|1,0,0]=4 23619 B12R0.277 CCCC(O)CNCCCC(C)C d3a95a23ac051dd993eff885f608b19d [0,3,0,0,0,0|1,0,0]=4 23620 B12R0.277 CCCC(O)CNCCCC(C)O b19245cb20af4074f82f1927a980006b [0,3,0,0,0,0|1,0,0]=4 23621 B12R0.277 CCCC(O)CNCCCN(C)C 2af0309b9c6eba1780b6852a7abb93d4 [0,3,0,0,0,0|1,0,0]=4 23622 B12R0.277 CCCC(O)CNCCOC(C)C a62d182440813a7f0ee0588498fce059 [0,3,0,0,0,0|1,0,0]=4 23623 B12R0.277 CCCC(O)CNCCSC(C)C 66f240f15e8d96dcbf8cc698ad7bb69c [0,3,0,0,0,0|1,0,0]=4 23624 B12R0.277 CCCC(S)CCOCCC(=O)C 92771076abdab12a32a3cce84f523584 [0,3,0,0,0,0|0,0,1]=4 23625 B12R0.277 CCCC(S)CCOCCC(C)C faf137d2385be68e990631c41a9262ca [0,3,0,0,0,0|0,0,0]=3 23626 B12R0.277 CCCC(S)CCOCCN(C)C 978ba8d9ac7875eaefe71140c7569986 [0,3,0,0,0,0|1,0,0]=4 23627 B12R0.277 CCCC(S)CCOCCS(=O)C 3e9bde6a4f84e15679bfe1829fdab692 [0,3,0,0,0,0|1,0,0]=4 23628 B12R0.277 CCCC(S)CCOCOC(C)C b86de8fa2cba2e00d6b3291ff6c7fc4a [0,3,0,0,0,0|1,0,0]=4 23629 B12R0.277 CCCN(C)CCCCCC(C)C 2bb251bf02baa566bc1c6fa1ef7e8e89 [0,3,0,0,0,0|1,0,0]=4 23630 B12R0.277 CCC[C@@H](C)OCCCCC(=O)C 7248a6fb31744d0b559a9ff3aaf92f41 [0,3,0,0,0,0|0,0,0]=3 23631 B12R0.277 CCC[C@@H](C)OCCCCC(=O)N 54e0e99969054f0acef2111c1bb75898 [0,3,0,0,0,0|0,0,1]=4 23632 B12R0.277 CCC[C@@H](C)OCCCCC(C)C ba703a8dbc150d293dd063086b33a27d [0,3,0,0,0,0|0,0,0]=3 23633 B12R0.277 CCC[C@@H](C)OCCCCN(C)C 6a121b1d08033a1657888355f0890bb5 [0,3,0,0,0,0|0,0,0]=3 23634 B12R0.277 CCC[C@@H](C)OCCCNC(=O)C 8ae1704a9c159ec2ca1a9260d19ee8a2 [0,3,0,0,0,0|0,0,1]=4 23635 B12R0.277 CCC[C@@H](C)OCCCOC(=O)C b10a1dc0984d4406535d7df42da0bbe7 [0,3,0,0,0,0|0,0,1]=4 23636 B12R0.277 CCC[C@@H](C)OCCCOC(=S)C ee2dff5593954cd2eade629a8f0e1850 [0,3,0,0,0,0|0,0,1]=4 23637 B12R0.277 CCC[C@@H](C)OCCCSC(=O)C aa7189b17c07c036d34d09a051f8d8dc [0,3,0,0,0,0|0,0,1]=4 23638 B12R0.277 CCC[C@@H](C)OCCOCC(C)C c298896749fae127bb9d62141dfbdcf9 [0,3,0,0,0,0|0,0,0]=3 23639 B12R0.277 CCC[C@@H](C)OCCOCC(F)F e879ec8af7c77744e51d333803d722e0 [0,3,0,0,0,0|1,0,0]=4 23640 B12R0.277 CCC[C@H](C)NCCCCC(=O)C 11f1e833b6471803045a6df085621226 [0,3,0,0,0,0|1,0,0]=4 23641 B12R0.277 CCC[C@H](C)NCCCCC(C)C e7ff6df3b3a6ad0bac7a38410af0ad17 [0,3,0,0,0,0|1,0,0]=4 23642 B12R0.277 CCC[C@H](C)NCCCCC(C)O 0c6cd091dec852273c726a6c8ffb6dd6 [0,3,0,0,0,0|1,0,0]=4 23643 B12R0.277 CCC[C@H](C)NCCCCN(C)C ccffb993dfab92f2bbb746bb7c6ff337 [0,3,0,0,0,0|1,0,0]=4 23644 B12R0.277 CCC[C@H](C)NCCCC[C@@H](C)O 71d1542f2b8e67e4608a724095891999 [0,3,0,0,0,0|1,0,0]=4 23645 B12R0.277 CCC[C@H](C)NCCOCC(C)C 9e6236ab6da0086316fe407793ee395b [0,3,0,0,0,0|1,0,0]=4 23646 B12R0.277 CCC[C@H](C)OCCCCC(=O)C ac1027ae345aef78f745b2c44295b221 [0,3,0,0,0,0|0,0,0]=3 23647 B12R0.277 CCC[C@H](C)OCCCCC(=O)N 571049651c52fa6e9d3cece0c44de269 [0,3,0,0,0,0|0,0,1]=4 23648 B12R0.277 CCC[C@H](C)OCCCCC(C)C ab1f946a7b6a9f6e01e7458e8b303e53 [0,3,0,0,0,0|0,0,0]=3 23649 B12R0.277 CCC[C@H](C)OCCCCN(C)C bcef5bf14f5163308a6a0868f59c1b6f [0,3,0,0,0,0|0,0,0]=3 23650 B12R0.277 CCC[C@H](C)OCCCNC(=O)C 222faa0c57e27d0907e4229bb87c9a89 [0,3,0,0,0,0|0,0,1]=4 23651 B12R0.277 CCC[C@H](C)OCCCOC(=O)C 123591e67e9f8d32269fdb1d9b0f0fb9 [0,3,0,0,0,0|0,0,1]=4 23652 B12R0.277 CCC[C@H](C)OCCCOC(=S)C 08cd168b9a7da427650c138a034172d9 [0,3,0,0,0,0|0,0,1]=4 23653 B12R0.277 CCC[C@H](C)OCCCSC(=O)C 7decd22587fb9e6baa42925efb333c94 [0,3,0,0,0,0|0,0,1]=4 23654 B12R0.277 CCC[C@H](C)OCCOCC(C)C 2f0b7337b13ee9572ef847599ab8baab [0,3,0,0,0,0|0,0,0]=3 23655 B12R0.277 CCC[C@H](C)OCCOCC(F)F 3ada12dd023c5397dfd348d2f15a46ee [0,3,0,0,0,0|1,0,0]=4 23656 B12R0.277 CCNC(=O)CCOCCC(C)C ad0d4297976c009ca2f0904c79866338 [0,3,0,0,0,0|0,0,1]=4 23657 B12R0.277 CCNC(=O)COCCCC(C)C a86274b222a3444b55da3f452ef4a38a [0,3,0,0,0,0|0,0,1]=4 23658 B12R0.277 CCOC(=O)CCOCCC(C)C afb058a10dc409ef9cc2cfb3331a0d25 [0,3,0,0,0,0|0,0,1]=4 23659 B12R0.277 CCOC(=O)COCCCC(C)C a952fed1079630c5887f4b737aece31a [0,3,0,0,0,0|0,0,1]=4 23660 B12R0.277 CCOC(C)CNCCCC(C)C 6580d4e8bbfb91817602f2c359419047 [0,3,0,0,0,0|1,0,0]=4 23661 B12R0.277 CCOC(C)CNCCCC(C)O e265c6fc9362e94f7c45b4e80f410927 [0,3,0,0,0,0|1,0,0]=4 23662 B12R0.277 CCOC(C)COCCCC(=O)C 9930e55fec9db44aa3a5f2fa2bf984dd [0,3,0,0,0,0|0,0,1]=4 23663 B12R0.277 CCOC(C)COCCCC(C)C 68bfa049a98bb8d5a81e87b088d11c99 [0,3,0,0,0,0|0,0,0]=3 23664 B12R0.277 CCOC(C)COCCCN(C)C cf65c8eed0f35ba63ab8fb16a975854b [0,3,0,0,0,0|1,0,0]=4 23665 B12R0.277 CCOC(C)COCCOC(C)C d1e880a45c34f7fce750134b62ae2254 [0,3,0,0,0,0|1,0,0]=4 23666 B12R0.277 CCOC(C)COCCSC(C)C 93d028243b1e5d49cbeeb4fe7e3507d6 [0,3,0,0,0,0|1,0,0]=4 23667 B12R0.277 CN(C)CCCOC[C@@H](O)CCO 662f65d31122281dae936dbcd0208741 [0,3,0,0,0,0|1,0,0]=4 23668 B12R0.277 COCC(=O)COCCCC(C)C e758f8db5e61f47d3d9ebd5e89557a0a [0,3,0,0,0,0|0,0,1]=4 23669 B12R0.277 COCC(C)COCCCC(=O)C 9d2ead611b533761f77123cfe676cb6a [0,3,0,0,0,0|0,0,1]=4 23670 B12R0.277 COCC(C)COCCCC(C)C d53b3afaf6f77eb6cd2fcaf012493f23 [0,3,0,0,0,0|0,0,0]=3 23671 B12R0.277 COCC(C)COCCCN(C)C f9588367eb49bde4e2fde32bb5147f1f [0,3,0,0,0,0|1,0,0]=4 23672 B12R0.277 COCC(C)COCCOC(C)C 427cbd726e87358490cb55595fca4fd6 [0,3,0,0,0,0|1,0,0]=4 23673 B12R0.277 COCC(C)OCCCCC(=O)C 35dde7cb143d1167b71f6d663f9e3f33 [0,3,0,0,0,0|1,0,0]=4 23674 B12R0.277 COCC(C)OCCCCC(C)C 75a32e0eb329b6373d797f987a771862 [0,3,0,0,0,0|1,0,0]=4 23675 B12R0.277 COCC(C)OCCCCN(C)C 2baa25a23cb8ea565562157adc7938f7 [0,3,0,0,0,0|1,0,0]=4 23676 B12R0.277 COCC(C)OCCCOC(C)C f8b35d075daf452b87197125a3e67820 [0,3,0,0,0,0|1,0,0]=4 23677 B12R0.277 COCC(C)OCCCSC(C)C 91551cc701beb29a7852ab923fc919af [0,3,0,0,0,0|1,0,0]=4 23678 B12R0.277 COCC(C)OCCOCC(C)C db67c308c5d05f08d4abfcf41a0004b9 [0,3,0,0,0,0|1,0,0]=4 23679 B12R0.277 COCC(C)OCCSCC(C)C fff890f6d9743e4b89cce069c843d5be [0,3,0,0,0,0|1,0,0]=4 23680 B12R0.277 COCC(O)CNCCCC(C)C 3925cf79ebfbf1e6e63a559200db1d3f [0,3,0,0,0,0|1,0,0]=4 23681 B12R0.277 COCC(O)CNCCCC(C)O 693194efe52a6d87d5ddcbad0185ee7f [0,3,0,0,0,0|1,0,0]=4 23682 B12R0.277 COC[C@@H](C)OCCCCC(=O)C 23aa0a5e024fb34b319154d14d41dfd4 [0,3,0,0,0,0|1,0,0]=4 23683 B12R0.277 COC[C@@H](C)OCCCCC(C)C 7c7b3f9f76f3dea6ea669a25968a5a79 [0,3,0,0,0,0|1,0,0]=4 23684 B12R0.277 COC[C@@H](C)OCCCCN(C)C af990839a6bb4c6ffd1b216e7f187e80 [0,3,0,0,0,0|1,0,0]=4 23685 B12R0.277 COC[C@@H](C)OCCOCC(C)C 0101bfe46a8ffc28457e7e396267a4f1 [0,3,0,0,0,0|1,0,0]=4 23686 B12R0.277 COC[C@@H](O)CNCCCC(C)C d455470c0f1b3a2bbf8eea9a829dba9a [0,3,0,0,0,0|1,0,0]=4 23687 B12R0.277 COC[C@@H](O)CNCCCC(C)O c03c58c709e310f16207811db22ed31e [0,3,0,0,0,0|1,0,0]=4 23688 B12R0.277 COC[C@H](C)COCCCC(=O)C be558f2496c3df92aa6ab0d02f353d15 [0,3,0,0,0,0|0,0,1]=4 23689 B12R0.277 COC[C@H](C)COCCCC(C)C c4e3be8080710aad5b717266ce0369e3 [0,3,0,0,0,0|0,0,0]=3 23690 B12R0.277 COC[C@H](C)COCCCN(C)C 7e0aebb68cde9e7c923ad999cd564556 [0,3,0,0,0,0|1,0,0]=4 23691 B12R0.277 COC[C@H](C)COCCOC(C)C b1e9681204c9913901c8ddca39e89dc6 [0,3,0,0,0,0|1,0,0]=4 23692 B12R0.277 COC[C@H](C)OCCCCC(=O)C b0d96710671495e7049787185d72a354 [0,3,0,0,0,0|1,0,0]=4 23693 B12R0.277 COC[C@H](C)OCCCCC(C)C 0a15293f7a35e58310852c8f6384d00e [0,3,0,0,0,0|1,0,0]=4 23694 B12R0.277 COC[C@H](C)OCCCCN(C)C a63865fbfd8fcf92cc237639e1370cd1 [0,3,0,0,0,0|1,0,0]=4 23695 B12R0.277 COC[C@H](C)OCCOCC(C)C 66bd004d3702a7d41f460e527db082c3 [0,3,0,0,0,0|1,0,0]=4 23696 B12R0.277 CSCC(C)OCCCCC(=O)C 52b54a11d4ac42f1d0868ecde2697720 [0,3,0,0,0,0|1,0,0]=4 23697 B12R0.277 CSCC(C)OCCCCC(C)C f1e6249971314a9e5aa7c6b48ae2c91d [0,3,0,0,0,0|1,0,0]=4 23698 B12R0.277 CSCC(C)OCCCCN(C)C 13c3f8451d9b6555b394c78579983051 [0,3,0,0,0,0|1,0,0]=4 23699 B12R0.277 CSCC(C)OCCOCC(C)C 9aba94f0508c395357a2d6b5cb68fa1a [0,3,0,0,0,0|1,0,0]=4 23700 B12R0.285 C=CCC(C)COCC(C)CCC 1495f6bceee9eadfa792705c9633ebe4 [0,3,0,0,0,0|0,0,1]=4 23701 B12R0.285 CCCC(=O)CNCC(O)CCC 9242533c31717a053f6c057f14f22d54 [0,3,0,0,0,0|1,0,0]=4 23702 B12R0.285 CCCC(=O)COCC(C)CCC 237b4c5c2de3179e1709d47b26f3f0c3 [0,3,0,0,0,0|0,0,0]=3 23703 B12R0.285 CCCC(=O)COCC(C)COC d6c902045f1ccb7f3351f81ea6abca12 [0,3,0,0,0,0|0,0,1]=4 23704 B12R0.285 CCCC(=O)COCC(C)OCC 4531bde7c4c6c0bc52bf39f1be549fe1 [0,3,0,0,0,0|0,0,1]=4 23705 B12R0.285 CCCC(=O)COC[C@@H](C)COC fb5904437517365856a576c424daa4a3 [0,3,0,0,0,0|0,0,1]=4 23706 B12R0.285 CCCC(C)CCOC(C)CCC 3f8e8b3d54af4d23f9067cc7d344de7d [0,3,0,0,0,0|0,0,0]=3 23707 B12R0.285 CCCC(C)CCOC(C)COC 7c9ee736321f31e4a2f2a5f082671263 [0,3,0,0,0,0|1,0,0]=4 23708 B12R0.285 CCCC(C)CNCC(C)CCO f4fa3484fc9ffa2d0937c2b41cf41df9 [0,3,0,0,0,0|1,0,0]=4 23709 B12R0.285 CCCC(C)CNCC(C)OCC 989a8b6c480a0c1b0d5db8c7a8e9f3da [0,3,0,0,0,0|1,0,0]=4 23710 B12R0.285 CCCC(C)CNCC(O)CCC 5c2c1cb900e1543335beb2823918afab [0,3,0,0,0,0|1,0,0]=4 23711 B12R0.285 CCCC(C)CNCC(O)COC d99cfcba60c104f3b62a9307c758542b [0,3,0,0,0,0|1,0,0]=4 23712 B12R0.285 CCCC(C)CNC[C@H](O)COC e17a6da51a08d356c66c9fee4454ae25 [0,3,0,0,0,0|1,0,0]=4 23713 B12R0.285 CCCC(C)COCC(=O)COC dffaa7cb2e4e3f959e15c47ae6003f06 [0,3,0,0,0,0|0,0,1]=4 23714 B12R0.285 CCCC(C)COCC(=O)NCC 01fb802052c78003d894a2f0474ccf1e [0,3,0,0,0,0|0,0,1]=4 23715 B12R0.285 CCCC(C)COCC(=O)OCC af5a8a2d1700e944ec24f9382d7f8039 [0,3,0,0,0,0|0,0,1]=4 23716 B12R0.285 CCCC(C)COCC(C)CCC aa442794747f608ec62eb3c366a37942 [0,3,0,0,0,0|0,0,0]=3 23717 B12R0.285 CCCC(C)COCC(C)OCC 8cc2e6f85730da1281544ff79e8536eb [0,3,0,0,0,0|0,0,0]=3 23718 B12R0.285 CCCC(C)COC[C@@H](O)CCO f02848cc1370f89447784d5df3a2a480 [0,3,0,0,0,0|0,0,0]=3 23719 B12R0.285 CCCC(C)OCCC(=O)NCC 219ee2132711417eb19f5bdf0630b3b8 [0,3,0,0,0,0|0,0,1]=4 23720 B12R0.285 CCCC(C)OCCC(=O)OCC f52795c3ba21a61d9a5059769aaaa2d4 [0,3,0,0,0,0|0,0,1]=4 23721 B12R0.285 CCCC(O)CNCC(O)COC e29659bafd2d53da2c184476343c9789 [0,3,0,0,0,0|1,0,0]=4 23722 B12R0.285 CCCC(O)CNC[C@@H](O)CCO bb49657c1d8f4c3791a9bde44a73af87 [0,3,0,0,0,0|1,0,0]=4 23723 B12R0.285 CCCC(S)CCOC(C)CCC 20533a464a59555ee63fed97c0e8deb8 [0,3,0,0,0,0|0,0,0]=3 23724 B12R0.285 CCCC(S)CCOC(C)COC b506563f638b58b7c5f675bcbbdd7a4e [0,3,0,0,0,0|1,0,0]=4 23725 B12R0.285 CCC[C@@H](C)OCCC(=O)NCC 4eb7c9e4592967f892219ba0bc23e01f [0,3,0,0,0,0|0,0,1]=4 23726 B12R0.285 CCC[C@@H](C)OCCC(=O)OCC 845dbeed2a7367c3d713dc5fade4094e [0,3,0,0,0,0|0,0,1]=4 23727 B12R0.285 CCC[C@H](C)OCCC(=O)NCC 468c14a36d6714c7029d996a345f0c8d [0,3,0,0,0,0|0,0,1]=4 23728 B12R0.285 CCC[C@H](C)OCCC(=O)OCC 21fccf0af59fae58f73d557abd6c2b9e [0,3,0,0,0,0|0,0,1]=4 23729 B12R0.285 CCOC(C)COC[C@@H](O)CCO f4005f991f6dee6d85b24e4fe7f75645 [0,3,0,0,0,0|1,0,0]=4 23730 B12R0.434 C=CCC(C)(C)COCCCCC 2d354f9960842b44960dbd2643c8403f [0,3,0,0,0,0|0,0,1]=4 23731 B12R0.434 CCCC(C)(O)CNCCCCF eeb8c58a1c1dfdb9ef9390eabb6b48f7 [0,3,0,0,0,0|1,0,0]=4 23732 B12R0.434 CCCC(C)(O)CNCCCCO 7298d891b91185a9214249297c399335 [0,3,0,0,0,0|1,0,0]=4 23733 B12R0.434 CCCC(C)(O)CNCCCOC 45bdf3358b9375ca2d040d489ba0fe18 [0,3,0,0,0,0|1,0,0]=4 23734 B12R0.434 CCCC(C)(O)CNCCCSC 70c80cdfb35f14efe5c792ec0923ca93 [0,3,0,0,0,0|1,0,0]=4 23735 B12R0.434 CCCC(C)(O)CNCCOCC 7539320573be2cec4b6d15f359999619 [0,3,0,0,0,0|1,0,0]=4 23736 B12R0.434 CCCC(C)(O)CNCCSCC fb005d3a22e98ca6a9e6a0cba9becfb9 [0,3,0,0,0,0|1,0,0]=4 23737 B12R0.434 CCCC(C)(S)CCOCCCF a9d3c261d024ce689b5bb5760905cd35 [0,3,0,0,0,0|1,0,0]=4 23738 B12R0.434 CCCC(C)(S)CCOCCCS 2328254e5a6bec7fc306ee18f9305375 [0,3,0,0,0,0|1,0,0]=4 23739 B12R0.434 CCCC(C)(S)CCOCCOC ace8834d3fbbcaf357fa681129082b30 [0,3,0,0,0,0|1,0,0]=4 23740 B12R0.434 CCCC(C)(S)CCOCCSC f79de04174d8fea1daa4239641cdd0d5 [0,3,0,0,0,0|1,0,0]=4 23741 B12R0.434 CCCC(C)(S)CCOCOCC d1fe7f7d0c8613821b45ca3b5bc42412 [0,3,0,0,0,0|1,0,0]=4 23742 B12R0.434 CCCCCNCC(C)(O)CCC 90b8b813bf24771e93d0a3f299c046a6 [0,3,0,0,0,0|1,0,0]=4 23743 B12R0.434 CCCCCNCC(C)(O)COC 5c506356e71c9a583e68272045a743ab [0,3,0,0,0,0|1,0,0]=4 23744 B12R0.434 CCCCCOCC(C)(C)CC#N b51071b08f449dbf0d326f8d6c25b026 [0,3,0,0,0,0|0,0,1]=4 23745 B12R0.434 CCCCCOCC(C)(C)COC 3176e86110fdba8c9ef767b359ad831c [0,3,0,0,0,0|0,0,0]=3 23746 B12R0.434 CCCCCOCC(C)(C)OCC 6f39062d959ea5324d4ab3f0b57ce220 [0,3,0,0,0,0|0,0,0]=3 23747 B12R0.434 CCCCOCCC(C)(C)COC 11a45565e9d4c895396612c973440dd0 [0,3,0,0,0,0|0,0,0]=3 23748 B12R0.434 CCCCOCCC(C)(S)CCC 2e4c7f1ee219425c2ebaa5299a759be2 [0,3,0,0,0,0|0,0,0]=3 23749 B12R0.434 CCCCOCCS(=O)(=O)OCC 2ddd5afa14816655651ac68b2c74eb76 [0,3,0,0,0,0|1,0,0]=4 23750 B12R0.434 CCCCOCNC(C)(C)CCO 64d73e54b69b34250916873fea8a6eb2 [0,3,0,0,0,0|1,0,0]=4 23751 B12R0.434 CCCCOCNC(C)(C)COC 3fecff09d1dd50d3c61653a865cbe693 [0,3,0,0,0,0|1,0,0]=4 23752 B12R0.434 CCCCOCNC(C)(C)CSC 299dacefb840f208d9b66ea510cd437a [0,3,0,0,0,0|1,0,0]=4 23753 B12R0.434 CCOC(C)(C)COCCCCF cb2c68227e427e9fdb3aaaa3db7850ff [0,3,0,0,0,0|1,0,0]=4 23754 B12R0.434 CCOC(C)(C)COCCCOC 7fa222393d41e20e95f5cde6a242f4d2 [0,3,0,0,0,0|1,0,0]=4 23755 B12R0.434 CCOC(C)(C)COCCCSC 68cd7e815b8c33fd06d24ac0ea1c3e50 [0,3,0,0,0,0|1,0,0]=4 23756 B12R0.434 CCOC(C)(C)COCCSCC 7416c4ce303782ae08ae3d5e1b3fbfa6 [0,3,0,0,0,0|1,0,0]=4 23757 B12R0.434 CCOCCOCC(C)(C)COC 2ecf81e6164ed61c50d17993743bbc69 [0,3,0,0,0,0|1,0,0]=4 23758 B12R0.434 CCOCCOCC(C)(C)OCC 2ed483553dcd7b54c10db81acce88b1f [0,3,0,0,0,0|1,0,0]=4 23759 B12R0.434 CCOCOCCC(C)(C)COC 07149c3a250a11de838972d9338456ae [0,3,0,0,0,0|1,0,0]=4 23760 B12R0.434 CCSCCOCC(C)(C)COC 7e74c287af6d30df30f76a0e94c303a6 [0,3,0,0,0,0|1,0,0]=4 23761 B12R0.434 COCC(C)(C)CCOCCCF 92df53c8b0829055eca976d6cc814434 [0,3,0,0,0,0|1,0,0]=4 23762 B12R0.434 COCC(C)(C)CCOCCCS 6b2c3f6036a0f98f455633f717586550 [0,3,0,0,0,0|1,0,0]=4 23763 B12R0.434 COCC(C)(C)CCOCCSC e1e993f28375a39c611cae0faa73ce9e [0,3,0,0,0,0|1,0,0]=4 23764 B12R0.434 COCC(C)(C)COCCCCF a6afd7216ce8b800ac5a8bc9a45bb913 [0,3,0,0,0,0|1,0,0]=4 23765 B12R0.434 COCC(C)(C)COCCCSC c90a54a64786c29bd251d93b53368714 [0,3,0,0,0,0|1,0,0]=4 23766 B12R0.434 COCCCOCC(C)(C)COC 9bf6d7b1d5da90fb2f01986beb1780f4 [0,3,0,0,0,0|1,0,0]=4 23767 B12R0.434 COCCOCCC(C)(C)COC e0b053e840f246c84b1075e99876e310 [0,3,0,0,0,0|1,0,0]=4 23768 B12R0.68 CCCC(C)CN(C)CC(O)CC 103ff53cf64b7e761a700b38334b8021 [0,3,0,0,0,0|1,0,0]=4 23769 B12R0.68 CCCC(C)NC(C)CC(C)CC 1b8b10879611608918bd44d1e6d0a2b1 [0,3,0,0,0,0|1,0,0]=4 23770 B12R0.68 CCCC(C)OC(C)CC(C)OC bb93bce108507b4a0fe46dc466f3eed5 [0,3,0,0,0,0|1,0,0]=4 23771 B12R0.103 C=CCCC(C)OC(C)CCCC 9ad11a2da974f7d2e0d0f9f2648f826e [0,3,0,0,0,0|0,0,1]=4 23772 B12R0.103 C=CCCC(C)O[C@@H](C)CCCC b74623ca5208dd1036035f5d29daa960 [0,3,0,0,0,0|0,0,1]=4 23773 B12R0.103 C=CCCC(C)O[C@H](C)CCCC f32ebf8377b695f80d247c0c0442ad40 [0,3,0,0,0,0|0,0,1]=4 23774 B12R0.103 C=CCC[C@@H](C)OC(C)CCCC 05b5a342624b1dbf52c10c9f9ad0c9fc [0,3,0,0,0,0|0,0,1]=4 23775 B12R0.103 CCC#CC(C)OC(C)CCCC 0d45787ae9b906ab61830cb679f323d0 [0,3,0,0,0,0|0,0,1]=4 23776 B12R0.103 CCCCC(=O)NC(C)CCCC 53fcf1ea0760468784741571f64c5305 [0,3,0,0,0,0|1,0,0]=4 23777 B12R0.103 CCCCC(=O)N[C@H](C)CCCC 5c605c84e87a34425b647c9c1f530254 [0,3,0,0,0,0|1,0,0]=4 23778 B12R0.103 CCCCC(C)NC(C)CCCC 516b7465062256251eb671752e765bf9 [0,3,0,0,0,0|1,0,0]=4 23779 B12R0.103 CCCCC(C)NC(C)CCCO 171efbcfc37a70baa10e7e8543ef418c [0,3,0,0,0,0|1,0,0]=4 23780 B12R0.103 CCCCC(C)N[C@H](C)CCCC 9f1d93a94b14e5486b12f84800dae107 [0,3,0,0,0,0|1,0,0]=4 23781 B12R0.103 CCCCC(C)N[C@H](C)CCCO 386b5038f373ce13e7615a4f8fc9ba14 [0,3,0,0,0,0|1,0,0]=4 23782 B12R0.103 CCCCC(C)OC(C)CCC#N 4513334f3f04dbcc36339fcbee7ceb11 [0,3,0,0,0,0|0,0,1]=4 23783 B12R0.103 CCCCC(C)OC(C)CCCC bc81d0fe0379632f5247610f11456c01 [0,3,0,0,0,0|0,0,0]=3 23784 B12R0.103 CCCCC(C)OC(C)CCOC 7cc3befb7070efef59b2e5a74e548aec [0,3,0,0,0,0|0,0,0]=3 23785 B12R0.103 CCCCC(C)OC(C)COCC 58919303903f96eb1e3bf6c3c95f01dd [0,3,0,0,0,0|0,0,0]=3 23786 B12R0.103 CCCCC(C)O[C@@H](C)CCCC 95127dac1104c8d5c5a0ebf1123da7d5 [0,3,0,0,0,0|0,0,0]=3 23787 B12R0.103 CCCCC(C)O[C@H](C)CCCC 5c59c854c671584970f21990c2434890 [0,3,0,0,0,0|0,0,0]=3 23788 B12R0.103 CCCCN(C)CC(O)CCSC 29ebcdfe5a5b0f7a381715bef187e54f [0,3,0,0,0,0|1,0,0]=4 23789 B12R0.103 CCCCN(C)CC(O)CSCC 1398d82adb5e61f90db39ae8308c15a9 [0,3,0,0,0,0|1,0,0]=4 23790 B12R0.103 CCCC[C@@H](C)NC(C)CCCO f5fdac1e54ffb7172b38580d038a2092 [0,3,0,0,0,0|1,0,0]=4 23791 B12R0.103 CCCC[C@@H](C)OC(C)CCC#N b2e8e1c39ea828b83683ac5bf819be8f [0,3,0,0,0,0|0,0,1]=4 23792 B12R0.103 CCCC[C@H](C)OC(C)CCC#N 4e86ca058118a2a935afd23a2df8bbe1 [0,3,0,0,0,0|0,0,1]=4 23793 B12R0.132 C#CC(CCC)OC(C)CCCC 4b3df5c7d3c5868f592b12fb51cd4807 [0,3,0,0,0,0|0,0,0]=3 23794 B12R0.132 C=CC(CCC)OC(C)CCCC 9b118c0dbb65b326bafdf15f1cfa1073 [0,3,0,0,0,0|0,0,0]=3 23795 B12R0.132 CCCC(CC)OC(C)CCOC be83ef64e1f64723fb0adc51c74a6bea [0,3,0,0,0,0|1,0,0]=4 23796 B12R0.132 CCCC(CC)OC(C)CCSC f751434ae281929c104e993dbd28959e [0,3,0,0,0,0|1,0,0]=4 23797 B12R0.132 CCCC(CC)OC(C)COCC c0a9158a413cb8ab3ca8031c20860357 [0,3,0,0,0,0|1,0,0]=4 23798 B12R0.132 CCCCC(C)NC(CC)CCC 7cff0ba3a5adc7cc91e82a3488ca2a2f [0,3,0,0,0,0|1,0,0]=4 23799 B12R0.132 CCCCC(C)NC(CO)CCC ba38b8440f55437ca94ac77dccff39bf [0,3,0,0,0,0|1,0,0]=4 23800 B12R0.132 CCCCC(C)N[C@@H](CO)CCC 43af0937292dd154e1137cdac08fb4f2 [0,3,0,0,0,0|1,0,0]=4 23801 B12R0.132 CCCCC(C)N[C@H](CO)CCC e97c6d5fdf94bdc0396e1ef646f76525 [0,3,0,0,0,0|1,0,0]=4 23802 B12R0.132 CCCCC(C)OC(C#N)CCC 341d49593dd5cfbb9f3f44a0959bddb0 [0,3,0,0,0,0|0,0,0]=3 23803 B12R0.132 CCCCC(C)OC(CBr)CCBr 2273d7e31daeb2ecb6a31b50f4f06949 [0,3,0,0,0,0|1,0,0]=4 23804 B12R0.132 CCCCC(C)OC(CC)CCC 0cd8274c81f99fa6efc6abe59baa78d6 [0,3,0,0,0,0|0,0,0]=3 23805 B12R0.132 CCCCC(C)OC(CC)COC 94219fbbc68896834a496c606d9db1bd [0,3,0,0,0,0|1,0,0]=4 23806 B12R0.132 CCCCC(C)OC(CC)CSC c1c691cb2380105ca32b6dc2bc33b6c0 [0,3,0,0,0,0|1,0,0]=4 23807 B12R0.132 CCCCC(C)OC(CCl)CCCl 2bd3f35301b68c1c0922ad4eda84f8df [0,3,0,0,0,0|1,0,0]=4 23808 B12R0.132 CCCCC(C)O[C@@H](CO)CCO 8649181f6d728a2f9c464c5a17f3cb75 [0,3,0,0,0,0|1,0,0]=4 23809 B12R0.132 CCCCC(C)O[C@H](CC)CCC b4db3a17d5dd220848bb91459a7aa1a0 [0,3,0,0,0,0|0,0,0]=3 23810 B12R0.132 CCCC[C@@H](C)NC(CC)CCC 7abf20e96d47dd8e2e16618e3eefde47 [0,3,0,0,0,0|1,0,0]=4 23811 B12R0.132 CCCC[C@@H](C)OC(CC)CCC 01ae4b14ede4ba007fd26e1edc8c9d9b [0,3,0,0,0,0|0,0,0]=3 23812 B12R0.132 CCCC[C@@H](C)O[C@@H](CO)CCO 8f37003460de1d0a675de910ca5c6559 [0,3,0,0,0,0|1,0,0]=4 23813 B12R0.132 CCCC[C@H](C)OC(CC)CCC be0872275e1f277bc63514e1e1f99d88 [0,3,0,0,0,0|0,0,0]=3 23814 B12R0.132 CCCC[C@H](C)O[C@@H](CO)CCO 76d2b6fb1dd8432ffd1b19c53faf16af [0,3,0,0,0,0|1,0,0]=4 23815 B12R0.134 CCCCC(C)NC(C)C(C)CC a246a9133cc325738ac3e22899f3cb56 [0,3,0,0,0,0|1,0,0]=4 23816 B12R0.134 CCCCC(C)OC(C)C(=O)CC 57940cacf969764a6af83528ee0444c9 [0,3,0,0,0,0|0,0,1]=4 23817 B12R0.134 CCCCC(C)OC(C)C(C)CC b24bf68d78b95485803dd491b2f12e33 [0,3,0,0,0,0|0,0,0]=3 23818 B12R0.134 CCCCC(C)OC(C)C(C)OC 51fd1f8aabc81d4a017a7744dc1f576d [0,3,0,0,0,0|1,0,0]=4 23819 B12R0.134 CCCC[C@@H](C)OC(C)C(=O)CC 73b193e97cec61bdba2e1a78cf753f38 [0,3,0,0,0,0|0,0,1]=4 23820 B12R0.134 CCCC[C@H](C)OC(C)C(=O)CC 666372e9800b0f77a45fa4556fa03787 [0,3,0,0,0,0|0,0,1]=4 23821 B12R0.283 CCCC(=S)OC(C)CCC(C)C ee3691871b962623d0b183dc740d32a1 [0,3,0,0,0,0|0,0,1]=4 23822 B12R0.283 CCCC(C)CN(C)CCC(C)C f61dc01598a9a93848e08d3606bbb8c1 [0,3,0,0,0,0|1,0,0]=4 23823 B12R0.283 CCCC(C)CN(C)CCC(C)O 4deb21806d4b8c7c23702f1decf874db [0,3,0,0,0,0|1,0,0]=4 23824 B12R0.283 CCCC(C)NC(C)CCC(C)C 6c979ec2604b54b7b6f1dceb29683843 [0,3,0,0,0,0|1,0,0]=4 23825 B12R0.283 CCCC(C)OC(C)CCC(C)C 67aed6449a66109f932d230db5da03dd [0,3,0,0,0,0|0,0,0]=3 23826 B12R0.283 CCCC(C)OC(C)CCN(C)C d31e5bbabc8c5594cf4df5adfdbbc324 [0,3,0,0,0,0|1,0,0]=4 23827 B12R0.283 CCCC(C)OC(C)COC(C)C a914eae545f44451d17d655e37fc0c63 [0,3,0,0,0,0|1,0,0]=4 23828 B12R0.283 CCCC(C)O[C@@H](C)COC(C)C 64bd02b9ef603bd88713d4dde794c330 [0,3,0,0,0,0|1,0,0]=4 23829 B12R0.283 CCC[C@@H](C)OC(C)CCC(C)C 4493d29e72caf7df896125b08b0011c7 [0,3,0,0,0,0|0,0,0]=3 23830 B12R0.283 CCC[C@H](C)NC(C)CCC(C)C 1d8d500dfdeb5213df99ce04c1ff3af4 [0,3,0,0,0,0|1,0,0]=4 23831 B12R0.283 CCC[C@H](C)OC(C)CCC(C)C b2fb4a984683d600581787412c203b10 [0,3,0,0,0,0|0,0,0]=3 23832 B12R0.283 COCC(C)OC(C)CCC(C)C a8a2764f7c9cb035fbca8e284853a3e9 [0,3,0,0,0,0|1,0,0]=4 23833 B12R0.283 COC[C@@H](C)OC(C)CCC(C)C 1c16582b49120b6383ef068e1a948bd8 [0,3,0,0,0,0|1,0,0]=4 23834 B12R0.283 COC[C@H](C)OC(C)CCC(C)C 14d4dabf6ca6b47104a0eb72cd6d7013 [0,3,0,0,0,0|1,0,0]=4 23835 B12R0.283 CSCC(C)OC(C)CCC(C)C 655e71e9574651299f3f3397fd70c2fc [0,3,0,0,0,0|1,0,0]=4 23836 B12R0.607 C#CC(CCCC)OC(C)CCC 2229c3ad4721f6343c5a68d4aa497b99 [0,3,0,0,0,0|0,0,0]=3 23837 B12R0.607 C#CC(CCCC)OC(C)COC 3e3bcc0c0a7f61d7bb57a708b6df0333 [0,3,0,0,0,0|1,0,0]=4 23838 B12R0.607 C=CC(CCCC)OC(C)CCC a0dbffa8ff005d0c21c54d2271d304dd [0,3,0,0,0,0|0,0,0]=3 23839 B12R0.607 C=CC(CCCC)OC(C)COC 228194375db9b4e02e4a5c9ff67cebaa [0,3,0,0,0,0|1,0,0]=4 23840 B12R0.607 CCCCC(CC)NC(C)CCC d3d773a89ea54174e5414d25904fa7cf [0,3,0,0,0,0|1,0,0]=4 23841 B12R0.607 CCCCC(CC)N[C@@H](C)CCC 277f543ab16a6093a567d2e8d7fd835c [0,3,0,0,0,0|1,0,0]=4 23842 B12R0.607 CCCCC(CC)OC(=S)CCC 2a7284d543a0946667af6a094fc6b215 [0,3,0,0,0,0|0,0,1]=4 23843 B12R0.607 CCCCC(CC)OC(C)CCC b5b061d90c62b09464599744e4fde082 [0,3,0,0,0,0|0,0,0]=3 23844 B12R0.607 CCCCC(CC)OC(C)COC f8175641f47092660c88d0348bc6db92 [0,3,0,0,0,0|1,0,0]=4 23845 B12R0.607 CCCCC(CC)OC(C)CSC 23874fbf8a831b3772a1fab532faa28c [0,3,0,0,0,0|1,0,0]=4 23846 B12R0.607 CCCCC(CC)O[C@@H](C)CCC 9be82abb77f213b7ccf3536e1199215a [0,3,0,0,0,0|0,0,0]=3 23847 B12R0.607 CCCCC(CC)O[C@@H](C)COC e53cf8506bd4d33bb7f7a1d722adc083 [0,3,0,0,0,0|1,0,0]=4 23848 B12R0.607 CCCCC(CC)O[C@H](C)CCC a4acbd8c3eb2ff8526846063a636a7ce [0,3,0,0,0,0|0,0,0]=3 23849 B12R0.607 CCCCC(CC)O[C@H](C)COC 97a4ce6ea5493a67d121a323524a3a24 [0,3,0,0,0,0|1,0,0]=4 23850 B12R0.607 CCCCC(CO)NC(C)CCC 97eae7d04cc85bfb360e340588d7728a [0,3,0,0,0,0|1,0,0]=4 23851 B12R0.607 CCCCC(CO)N[C@@H](C)CCC 63491eadac7d1c568e297ea3eb36f124 [0,3,0,0,0,0|1,0,0]=4 23852 B12R0.607 CCCCN(CC)CC(C)CCC dec0e5c32a9a9c32919769405de3e367 [0,3,0,0,0,0|1,0,0]=4 23853 B12R0.607 CCCC[C@@H](CO)NC(C)CCC 91d3f010db9aba6ec0619703bf6533e4 [0,3,0,0,0,0|1,0,0]=4 23854 B12R0.607 CCCC[C@H](CO)NC(C)CCC a3021b2602c4b51bb6227a90286deb14 [0,3,0,0,0,0|1,0,0]=4 23855 B12R0.74 C#CC(CCC)OCC(=O)CCC 08f2402a869f38d6ca44b26291b84df1 [0,3,0,0,0,0|0,0,1]=4 23856 B12R0.74 C#CC(CCC)OCC(C)CCC ba26c7c08921acc4c3b38f7a3d02dd50 [0,3,0,0,0,0|0,0,0]=3 23857 B12R0.74 C#CC(CCC)OC[C@@H](O)CCO bac5456ec6fdca09e04050d085fe98d4 [0,3,0,0,0,0|1,0,0]=4 23858 B12R0.74 C=CC(CCC)OCC(=O)CCC f07de6d2aae5085f8a60544ad40d7c3e [0,3,0,0,0,0|0,0,1]=4 23859 B12R0.74 C=CC(CCC)OCC(C)CCC a8ea759840bd859202437523ddfdbcd1 [0,3,0,0,0,0|0,0,0]=3 23860 B12R0.74 C=CC(CCC)OC[C@@H](O)CCO 28fd59fa43727ed2ed2ea4b62efca5ba [0,3,0,0,0,0|1,0,0]=4 23861 B12R0.74 CCCC(=O)COC(C#N)CCC 9c2e22dea9cdb308c1e083347013763d [0,3,0,0,0,0|0,0,1]=4 23862 B12R0.74 CCCC(=O)COC(CC)CCC 39d443b6342bf887093ced9dac2f2730 [0,3,0,0,0,0|0,0,1]=4 23863 B12R0.74 CCCC(=O)CO[C@H](CC)CCC 6353f609ffb723c937633b9a7f9e7440 [0,3,0,0,0,0|0,0,1]=4 23864 B12R0.74 CCCC(C#N)OC[C@@H](O)CCO a7f70d8a965a0a6a73e80c8ad04c4547 [0,3,0,0,0,0|1,0,0]=4 23865 B12R0.74 CCCC(C)CNC(CO)CCC 0db8c486be52b161fa6aec39915e8dff [0,3,0,0,0,0|1,0,0]=4 23866 B12R0.74 CCCC(C)CN[C@@H](CO)CCC a3f25933e5ea8ad061a26f0afa9e7ee0 [0,3,0,0,0,0|1,0,0]=4 23867 B12R0.74 CCCC(C)CN[C@H](CO)CCC a04b3590a7120569e20c7d48444d40b3 [0,3,0,0,0,0|1,0,0]=4 23868 B12R0.74 CCCC(C)COC(C#N)CCC 22a952329992a6c2ae3e9a08b309dc64 [0,3,0,0,0,0|0,0,0]=3 23869 B12R0.74 CCCC(C)COC(CBr)CCBr d1639b1e6fe8976f17d4747ed4a2a459 [0,3,0,0,0,0|1,0,0]=4 23870 B12R0.74 CCCC(C)COC(CC)CCC 5d0bc15a4ef8b5701ed9a82db9e7b87b [0,3,0,0,0,0|0,0,0]=3 23871 B12R0.74 CCCC(C)COC(CC)COC 82a560e4f040ac1445005b0223d65429 [0,3,0,0,0,0|1,0,0]=4 23872 B12R0.74 CCCC(C)COC(CC)CSC ccd0fab471b1a6a29394e80831669a72 [0,3,0,0,0,0|1,0,0]=4 23873 B12R0.74 CCCC(C)COC(CCl)CCCl 526347534d4402b7fcb0481aed0f54ce [0,3,0,0,0,0|1,0,0]=4 23874 B12R0.74 CCCC(C)CO[C@@H](CO)CCO 89e4ee26b0673021af94c76f9d366ce2 [0,3,0,0,0,0|1,0,0]=4 23875 B12R0.74 CCCC(C)CO[C@H](CC)CCC ef54bae19ad456e2aa1f9027cb64baa3 [0,3,0,0,0,0|0,0,0]=3 23876 B12R0.74 CCCC(C)OCC(CC)OCC c525725d123e2778398d4f3af362f37c [0,3,0,0,0,0|1,0,0]=4 23877 B12R0.74 CCCC(CC)COC(C)CCC 7b7e4c4611629fe96394ce1d2dc20277 [0,3,0,0,0,0|0,0,0]=3 23878 B12R0.74 CCCC(CC)COC(C)COC a5518aebdbfc51e2e737010e69f3987f [0,3,0,0,0,0|1,0,0]=4 23879 B12R0.74 CCCC(CC)OCC(C)OCC 39892891e8c442447c97af752eff5a01 [0,3,0,0,0,0|1,0,0]=4 23880 B12R0.74 CCCC(CC)OC[C@@H](O)CCO 7154ebf6f1746fc73d60e694fb0a0798 [0,3,0,0,0,0|1,0,0]=4 23881 B12R0.74 CCCC(O)CNC(CC)CCC e93dd1f3a1d3771ea5e9be9778e9115e [0,3,0,0,0,0|1,0,0]=4 23882 B12R0.74 CCC[C@@H](C)OCC(CC)OCC 74c470e892daa6e641313d25ac6d29a3 [0,3,0,0,0,0|1,0,0]=4 23883 B12R0.74 CCC[C@@H](CC)OC[C@@H](O)CCO 0ae02fc0fb5e1870f00096a338c0cf96 [0,3,0,0,0,0|1,0,0]=4 23884 B12R0.74 CCC[C@H](C)OCC(CC)OCC f57aed3a33c06fb2229ff0380d10d079 [0,3,0,0,0,0|1,0,0]=4 23885 B12R0.79 CCC(C)C(C)OC[C@@H](O)CCO 0d826acb8ae8904f229e198b1cb6e6f2 [0,3,0,0,0,0|1,0,0]=4 23886 B12R0.79 CCC(S)C(C)COC(C)COC c9636b0298723d94190b27e070761535 [0,3,0,0,0,0|1,0,0]=4 23887 B12R0.79 CCCC(=O)COC(C)C(C)CC f0807fa9510d1fc467d694d83aa00668 [0,3,0,0,0,0|0,0,1]=4 23888 B12R0.79 CCCC(C)CNC(C)C(C)CC 4c25b647eabc4a68dd7b523ea9cc6969 [0,3,0,0,0,0|1,0,0]=4 23889 B12R0.79 CCCC(C)COC(C)C(=O)CC bf3888b90d592719e7a1a1c4bf0b75e3 [0,3,0,0,0,0|0,0,1]=4 23890 B12R0.79 CCCC(C)COC(C)C(C)CC ad5dd37b61f3e7506fe20a427a998e6a [0,3,0,0,0,0|0,0,0]=3 23891 B12R0.79 CCCC(C)COC(C)C(C)OC bcc2dbb93e93450da2a69861b9708bcf [0,3,0,0,0,0|1,0,0]=4 23892 B12R0.79 CCCC(C)OCC(=O)C(C)CC 69aee9d7f5fdb5d96016614c98de1c7d [0,3,0,0,0,0|0,0,1]=4 23893 B12R0.79 CCCC(C)OCC(C)C(S)CC d2ef8960a6bde91eb66c4d62317bf943 [0,3,0,0,0,0|0,0,0]=3 23894 B12R0.79 CCCC(C)OCC(C)N(C)CC bf62595ae2f29d31c56232bc899e9ac9 [0,3,0,0,0,0|1,0,0]=4 23895 B12R0.79 CCCC(C)OC[C@@H](C)N(C)CC 45630cf9fdab832be1946cff9684a82f [0,3,0,0,0,0|1,0,0]=4 23896 B12R0.79 CCCC(C)OC[C@H](C)N(C)CC 10bc4cf9922f490d7259e4777dccacd4 [0,3,0,0,0,0|1,0,0]=4 23897 B12R0.79 CCC[C@@H](C)OCC(=O)C(C)CC ab4aa2a98acf4aa3e6943511e31c50dc [0,3,0,0,0,0|0,0,1]=4 23898 B12R0.79 CCC[C@H](C)OCC(=O)C(C)CC 316380b5ccc0c6ee3ada0b73cb09bf0c [0,3,0,0,0,0|0,0,1]=4 23899 B12R0.445 CCCC(C)NCC(C)(O)CCC 5330a32395d47695a20c115ab9928533 [0,3,0,0,0,0|1,0,0]=4 23900 B12R0.445 CCCC(C)OCC(C)(C)COC 1640dd908c30ecb4a43b1d5200603754 [0,3,0,0,0,0|1,0,0]=4 23901 B12R0.445 CCCC(C)OCC(C)(C)OCC 4af403bcc4efbb72c948dbe76850c6ef [0,3,0,0,0,0|1,0,0]=4 23902 B12R0.47 C#CCCCCN(C)CCCCC 985fbbe16605bf2c3901cbc35bfb1f55 [0,3,0,0,0,0|1,0,0]=4 23903 B12R0.47 C#CCCCOC(C)CCCCC 7ae0c70b60292c134c3e8e85b7d7a129 [0,3,0,0,0,0|0,0,1]=4 23904 B12R0.47 C#CCCCOC(C)COCCC 3580f84c71c2207350a3352516788b8f [0,3,0,0,0,0|0,0,1]=4 23905 B12R0.47 C#CCCCO[C@@H](C)CCCCC b239dcf668fa9e42d8c6be2c98918d78 [0,3,0,0,0,0|0,0,1]=4 23906 B12R0.47 C#CCCCO[C@H](C)CCCCC 1d069b14bf12e9799112ad8b84be1414 [0,3,0,0,0,0|0,0,1]=4 23907 B12R0.47 C#CCCOC(C)COCCCC ef8b90950d9f02615bd11aed55279362 [0,3,0,0,0,0|0,0,1]=4 23908 B12R0.47 C#CCOCC(C)OCCCCC e7545aaca867811f6091c7b5d753b985 [0,3,0,0,0,0|0,0,1]=4 23909 B12R0.47 C/C=C/CCOC(C)CCCCC 67effb1e633e3c454500c4c310462a86 [0,3,0,0,0,0|0,0,1]=4 23910 B12R0.47 C/C=C/CCO[C@@H](C)CCCCC 3f1866cbc2013ac258c0944a99464171 [0,3,0,0,0,0|0,0,1]=4 23911 B12R0.47 C/C=C/COC(C)COCCCC a2073bd750255dab606709dc22388d2d [0,3,0,0,0,0|0,0,1]=4 23912 B12R0.47 C/C=C\CCCN(C)CCCCC 3f1bb928cff01768dab952529fa6d9e8 [0,3,0,0,0,0|1,0,0]=4 23913 B12R0.47 C/C=C\COC(C)COCCCC 14ab033725e43c971d807db993cb528b [0,3,0,0,0,0|0,0,1]=4 23914 B12R0.47 C=CCCCCC(C)OCCCC 59a40ad2d4fba342fa6074e7013feb14 [0,3,0,0,0,0|0,0,0]=3 23915 B12R0.47 C=CCCCCC(C)OCCCF 58fcfd70612ce54c24fdfc36525380ca [0,3,0,0,0,0|1,0,0]=4 23916 B12R0.47 C=CCCCCC(C)OCCCS bb110de5f0024bf388a25817795f3515 [0,3,0,0,0,0|1,0,0]=4 23917 B12R0.47 C=CCCCCC(C)OCCOC 7931499d7b117592cff0ef805d8f5f7b [0,3,0,0,0,0|1,0,0]=4 23918 B12R0.47 C=CCCCCC(C)OCCSC 06fb0a1a6efd0be2dcb5f2c9097e0325 [0,3,0,0,0,0|1,0,0]=4 23919 B12R0.47 C=CCCCCC(C)OCOCC 161b5b77d1879bdc9d7eaf0fb02f45c2 [0,3,0,0,0,0|1,0,0]=4 23920 B12R0.47 C=CCCCCN(C)CCCCC 81c0a55e44675502165ba883a2ba4f89 [0,3,0,0,0,0|1,0,0]=4 23921 B12R0.47 C=CCCCC[C@@H](C)OCCCC e2e086d2c2fca8c9bea7d143fd34e418 [0,3,0,0,0,0|0,0,0]=3 23922 B12R0.47 C=CCCCC[C@@H](C)OCCCF 51a3724e51feadfca4335df446b4e9ce [0,3,0,0,0,0|1,0,0]=4 23923 B12R0.47 C=CCCCC[C@@H](C)OCCCS d861e5f0d1c6bd8e60ab335bf4ebf704 [0,3,0,0,0,0|1,0,0]=4 23924 B12R0.47 C=CCCCC[C@@H](C)OCCOC f4fc6a00fb02ed976abe5c74b453169d [0,3,0,0,0,0|1,0,0]=4 23925 B12R0.47 C=CCCCC[C@@H](C)OCCSC 485e89cbc05b1e66e7a56edc754358fe [0,3,0,0,0,0|1,0,0]=4 23926 B12R0.47 C=CCCCC[C@@H](C)OCOCC a916bfd3df2ca58083b7a9ec16cec795 [0,3,0,0,0,0|1,0,0]=4 23927 B12R0.47 C=CCCCN(C)COCCCC 6a0dd0a385db314f3a2100ecf8ca7a2d [0,3,0,0,0,0|0,0,1]=4 23928 B12R0.47 C=CCCCOC(C)CCCCC 847ca658075082c596fb784ebbc8d077 [0,3,0,0,0,0|0,0,1]=4 23929 B12R0.47 C=CCCCOC(C)COCCC f3809d77a04d59b566b76d41342de863 [0,3,0,0,0,0|0,0,1]=4 23930 B12R0.47 C=CCCCO[C@@H](C)CCCCC e40e51aab928ce702a977ee62bd961a9 [0,3,0,0,0,0|0,0,1]=4 23931 B12R0.47 C=CCCCO[C@H](C)CCCCC e637125e5042674e214218fb4e9d0a2d [0,3,0,0,0,0|0,0,1]=4 23932 B12R0.47 C=CCCC[C@H](C)OCCCCC b224997862a4a160d8dd76142bbc6f41 [0,3,0,0,0,0|0,0,0]=3 23933 B12R0.47 C=CCCC[C@H](C)OCCCCF 0b5993d8f8cbc4f737e9d04e3526d837 [0,3,0,0,0,0|0,0,1]=4 23934 B12R0.47 C=CCCC[C@H](C)OCCCOC e310112f60ee8e7e6181384f8f5c91c8 [0,3,0,0,0,0|0,0,1]=4 23935 B12R0.47 C=CCCC[C@H](C)OCCCSC c4fd76a6c1b0417c673cbae72dfe8f76 [0,3,0,0,0,0|0,0,1]=4 23936 B12R0.47 C=CCCC[C@H](C)OCCOCC e474ef6230bfc284f08023994c0f4fc3 [0,3,0,0,0,0|0,0,1]=4 23937 B12R0.47 C=CCCC[C@H](C)OCCSCC 1c5d4553f313fc075b6d668519f47850 [0,3,0,0,0,0|0,0,1]=4 23938 B12R0.47 C=CCCOC(C)COCCCC b2b3f486de4d6e032f12120221d46787 [0,3,0,0,0,0|0,0,1]=4 23939 B12R0.47 CC#CCCOC(C)CCCCC 8722ca8a34faadb92b0d10dbd662ca3f [0,3,0,0,0,0|0,0,1]=4 23940 B12R0.47 CC#CCCO[C@@H](C)CCCCC 33a37e4b861594a5427630eb6cc32292 [0,3,0,0,0,0|0,0,1]=4 23941 B12R0.47 CC(CCCCO)NCCCCCl 7a3cda94dfd6ab8882f2c81af14d4c4e [0,3,0,0,0,0|1,0,0]=4 23942 B12R0.47 CC(CCCCO)NCCCCO f29e53fcd6bcb107fef4915009182ef8 [0,3,0,0,0,0|1,0,0]=4 23943 B12R0.47 CC(CCCCO)NCCCCS b986d619f1bb0923c032647d1083b0ee [0,3,0,0,0,0|1,0,0]=4 23944 B12R0.47 CC/C=C/COC(C)CCCCC 041228763cf423e11b2ebf32a8e84ab3 [0,3,0,0,0,0|0,0,1]=4 23945 B12R0.47 CC/C=C/COC(C)COCCC f71ebf7a26c80115c85a5d0dcf2b245a [0,3,0,0,0,0|0,0,1]=4 23946 B12R0.47 CC/C=C/CO[C@@H](C)CCCCC 51933f92e2e9618d71909dfa5a5da7f9 [0,3,0,0,0,0|0,0,1]=4 23947 B12R0.47 CC/C=C/CO[C@H](C)CCCCC 436dc907b7ce36ca1769290471c4d99d [0,3,0,0,0,0|0,0,1]=4 23948 B12R0.47 CC/C=C\CCN(C)CCCCC f31c906c96576da517f084ef21cd0ac3 [0,3,0,0,0,0|1,0,0]=4 23949 B12R0.47 CC/C=C\COC(C)CCCCC 822b935cb0d28486f03eec7b3bf71d47 [0,3,0,0,0,0|0,0,1]=4 23950 B12R0.47 CC/C=C\CO[C@@H](C)CCCCC 6912a19c5ed0820650103f3cc93f21a5 [0,3,0,0,0,0|0,0,1]=4 23951 B12R0.47 CCC#CCC(C)OCCCCC 98e7f0f59d6fa3b34ba6da4308342dea [0,3,0,0,0,0|0,0,0]=3 23952 B12R0.47 CCC#CCC(C)OCCCCF fbd7b597ea01d6119d95b94456210b1a [0,3,0,0,0,0|0,0,1]=4 23953 B12R0.47 CCC#CCC(C)OCCCOC 8feecbd8a90ed7ff34f505a2312200f6 [0,3,0,0,0,0|0,0,1]=4 23954 B12R0.47 CCC#CCC(C)OCCCSC ea3671faf9509a0682fc54453495e692 [0,3,0,0,0,0|0,0,1]=4 23955 B12R0.47 CCC#CCC(C)OCCOCC 9e53d02778ce6ed622540db0aca514af [0,3,0,0,0,0|0,0,1]=4 23956 B12R0.47 CCC#CCC(C)OCCSCC 179a70a3d1934752585d75aac686453c [0,3,0,0,0,0|0,0,1]=4 23957 B12R0.47 CCC#CCOC(C)CCCCC 9f02309084d29c839859155fda8633b2 [0,3,0,0,0,0|0,0,1]=4 23958 B12R0.47 CCC#CCOC(C)COCCC 6be8095ff7a02429c7cebd5e0b3b9b17 [0,3,0,0,0,0|0,0,1]=4 23959 B12R0.47 CCC#CCO[C@@H](C)CCCCC 7d6ada719abce2f6805ebc541d04b42e [0,3,0,0,0,0|0,0,1]=4 23960 B12R0.47 CCC/C=C/CN(C)CCCCC 30dd8dc27dfe6a4cd157022aa0d7cf73 [0,3,0,0,0,0|1,0,0]=4 23961 B12R0.47 CCC/C=C\CN(C)CCCCC 3d8cc600a406931f05b52a38c976436b [0,3,0,0,0,0|1,0,0]=4 23962 B12R0.47 CCCCCC(=O)CNCCCC c300affc40eee1711d5b85e7ad74bc0e [0,3,0,0,0,0|1,0,0]=4 23963 B12R0.47 CCCCCC(=O)CNCCCCl fc11811e52e5db37220965459ab4c8ab [0,3,0,0,0,0|1,0,0]=4 23964 B12R0.47 CCCCCC(=O)CNCCCO 4fe1edd1650168304237943df7d7cc5f [0,3,0,0,0,0|1,0,0]=4 23965 B12R0.47 CCCCCC(=O)CNCCOC 8f9e01e1e172f1e6186c2c2623f5e0a2 [0,3,0,0,0,0|1,0,0]=4 23966 B12R0.47 CCCCCC(=O)CNCCSC 293e89a921b1532fb1acec4e315dd523 [0,3,0,0,0,0|1,0,0]=4 23967 B12R0.47 CCCCCC(=O)COCCCC 574e5f1248d45032bf11a404f8956b48 [0,3,0,0,0,0|0,0,0]=3 23968 B12R0.47 CCCCCC(=O)COCCCF e60551fe8e0c794a8e3101ef46660d0a [0,3,0,0,0,0|1,0,0]=4 23969 B12R0.47 CCCCCC(=O)COCCCS 6a65426b9b9044348f0d41580ff1fe8f [0,3,0,0,0,0|1,0,0]=4 23970 B12R0.47 CCCCCC(=O)COCCOC 53f59f9d86b60ee7163cc043f622168b [0,3,0,0,0,0|1,0,0]=4 23971 B12R0.47 CCCCCC(=O)COCCSC 1ab419c00f46de8b3eef554eaafcae28 [0,3,0,0,0,0|1,0,0]=4 23972 B12R0.47 CCCCCC(=O)NCCCCCl accf787a7fc15151222ada8cbe596efa [0,3,0,0,0,0|1,0,0]=4 23973 B12R0.47 CCCCCC(=O)NCCCCO 950c96f7adf5e1c718e10c6389a568ae [0,3,0,0,0,0|1,0,0]=4 23974 B12R0.47 CCCCCC(=O)NCCCCS 7ec78a20ffd9184b910af69a0fd50b57 [0,3,0,0,0,0|1,0,0]=4 23975 B12R0.47 CCCCCC(=O)NCCCOC b007441d7f742a3ec7af2d80a3a016f5 [0,3,0,0,0,0|1,0,0]=4 23976 B12R0.47 CCCCCC(=O)NCCCSC 0f8ca69922003eb4c7f5c056650f3903 [0,3,0,0,0,0|1,0,0]=4 23977 B12R0.47 CCCCCC(=O)NCCOCC 28cc0675146910d21fd237b7979809e0 [0,3,0,0,0,0|1,0,0]=4 23978 B12R0.47 CCCCCC(=O)NCCSCC caa899ffb54dbd4ab116d740a0a13ce4 [0,3,0,0,0,0|1,0,0]=4 23979 B12R0.47 CCCCCC(=O)OCNCCC b53aca10ef5419ef2deccb920e0dc3bd [0,3,0,0,0,0|0,0,0]=3 23980 B12R0.47 CCCCCC(=O)OCNCCF ab88f637eb975ab2644d07530eca542f [0,3,0,0,0,0|1,0,0]=4 23981 B12R0.47 CCCCCC(=O)OCNCCI 2442df03f35be67bfed4c5fa3cf80835 [0,3,0,0,0,0|1,0,0]=4 23982 B12R0.47 CCCCCC(=O)OCNCCO ac41b18d360578d3f5b94a89fd362448 [0,3,0,0,0,0|1,0,0]=4 23983 B12R0.47 CCCCCC(=O)OCNCCS ae0907df5d96cb5566748e5b71dc0aed [0,3,0,0,0,0|1,0,0]=4 23984 B12R0.47 CCCCCC(=O)OCOCCC a6f3b4272717dc6f7c45519834b075d7 [0,3,0,0,0,0|0,0,0]=3 23985 B12R0.47 CCCCCC(=O)OCOCCS a273217f9f69a94ffb79cdc8d5408f20 [0,3,0,0,0,0|1,0,0]=4 23986 B12R0.47 CCCCCC(=O)OCOCOC 6a225f0740add87ef9c2e6ed3587fbfa [0,3,0,0,0,0|1,0,0]=4 23987 B12R0.47 CCCCCC(C)COCCCC 1568f2e108c6b0b7eda03d8d4a7e0a15 [0,3,0,0,0,0|0,0,0]=3 23988 B12R0.47 CCCCCC(C)COCCCF cdebe54e1ee97131f79c618657ed60be [0,3,0,0,0,0|1,0,0]=4 23989 B12R0.47 CCCCCC(C)COCCCS 7dd8df3faec3e14696ceed35ae33a643 [0,3,0,0,0,0|1,0,0]=4 23990 B12R0.47 CCCCCC(C)COCCOC f7092c0ad9109b370864e32c4b42811d [0,3,0,0,0,0|1,0,0]=4 23991 B12R0.47 CCCCCC(C)COCCSC 0da905f0cad27f17f7d4be64d35c93fc [0,3,0,0,0,0|1,0,0]=4 23992 B12R0.47 CCCCCC(C)COCOCC 2feadd1c7f8c7604b3c1b4b7ca9add73 [0,3,0,0,0,0|1,0,0]=4 23993 B12R0.47 CCCCCC(C)NCCCCCl 236de518acb25fb140143f5fbb3cded8 [0,3,0,0,0,0|1,0,0]=4 23994 B12R0.47 CCCCCC(C)NCCCCF a83e0c88bbcf8969a6448e58cb5f5c53 [0,3,0,0,0,0|1,0,0]=4 23995 B12R0.47 CCCCCC(C)NCCCCO a934c5c7968ccd26e54af0242a66d012 [0,3,0,0,0,0|1,0,0]=4 23996 B12R0.47 CCCCCC(C)NCCCCS 71eaaf39ae265de8f24250374c9035a6 [0,3,0,0,0,0|1,0,0]=4 23997 B12R0.47 CCCCCC(C)NCCCOC 1ed249f8e6f29aca2ba85079681e58d5 [0,3,0,0,0,0|1,0,0]=4 23998 B12R0.47 CCCCCC(C)NCCCSC 767165c404baf357d83be64bc78c1d7a [0,3,0,0,0,0|1,0,0]=4 23999 B12R0.47 CCCCCC(C)NCCOCC 987305fb20d6d311ca817ab6e3c7d4bd [0,3,0,0,0,0|1,0,0]=4 24000 B12R0.47 CCCCCC(C)NCCSCC 62ff079f816c16360e5c1a6d4169f59c [0,3,0,0,0,0|1,0,0]=4 24001 B12R0.47 CCCCCC(C)OCCCC#N 8bd31e3c4ec0ad6ea4d79816d5ecdef1 [0,3,0,0,0,0|0,0,1]=4 24002 B12R0.47 CCCCCC(C)OCCCC=O 6cec02ddd79c001507921dc0882943e5 [0,3,0,0,0,0|0,0,1]=4 24003 B12R0.47 CCCCCC(C)OCCCCF db1a3929431dc53db2531cc695ff9016 [0,3,0,0,0,0|0,0,0]=3 24004 B12R0.47 CCCCCC(C)OCCCCS 3c70de18d939c021f1cb1aef5b6c7726 [0,3,0,0,0,0|0,0,0]=3 24005 B12R0.47 CCCCCC(C)OCCCOC 2e826a2de41f138203a57bccb900a169 [0,3,0,0,0,0|0,0,0]=3 24006 B12R0.47 CCCCCC(C)OCCCSC b75bf6deeaa85f7cb63b4b5ba3906abb [0,3,0,0,0,0|0,0,0]=3 24007 B12R0.47 CCCCCC(C)OCCOCC 1b48b359df22add9c0ed0f902263a3e4 [0,3,0,0,0,0|0,0,0]=3 24008 B12R0.47 CCCCCC(C)OCCSCC 489a10ec911ad1118a12547b30372dc2 [0,3,0,0,0,0|0,0,0]=3 24009 B12R0.47 CCCCCCC(=O)NCCCC 950215fe406f48df6ea21c4bbcd323ee [0,3,0,0,0,0|1,0,0]=4 24010 B12R0.47 CCCCCCC(C)CCOCC e2cc2dc480117f4910394fb51fcc11ea [0,3,0,0,0,0|1,0,0]=4 24011 B12R0.47 CCCCCCC(C)CCOCF cc2d13caf65682d1660246f6b0186336 [0,3,0,0,0,0|1,0,0]=4 24012 B12R0.47 CCCCCCC(C)COCCC 4f01491277f6f7ea73c9767ba8518a63 [0,3,0,0,0,0|1,0,0]=4 24013 B12R0.47 CCCCCCC(C)COCCF e4e1648716915753328b692fac962fc4 [0,3,0,0,0,0|1,0,0]=4 24014 B12R0.47 CCCCCCC(C)COCCS 7e907b4fc9bc76a9dd2c007518598190 [0,3,0,0,0,0|1,0,0]=4 24015 B12R0.47 CCCCCCC(C)COCOC 93b396c84e16371c55d707e7b1d54ada [0,3,0,0,0,0|1,0,0]=4 24016 B12R0.47 CCCCCCC(C)COCSC ff90ba02d29c4b8a568ddbe1febcb821 [0,3,0,0,0,0|1,0,0]=4 24017 B12R0.47 CCCCCCC(C)NCCCC a6f52a9e82259185640952b572d11804 [0,3,0,0,0,0|1,0,0]=4 24018 B12R0.47 CCCCCCC(C)NCCCCl 992e016d2b9ec5da7dbb558ac2fcb805 [0,3,0,0,0,0|1,0,0]=4 24019 B12R0.47 CCCCCCC(C)NCCCF 1e4193226093a41f9bc1b26cc7f08af8 [0,3,0,0,0,0|1,0,0]=4 24020 B12R0.47 CCCCCCC(C)NCCCO 915bb2b711a1bc1b36149e304557fbf7 [0,3,0,0,0,0|1,0,0]=4 24021 B12R0.47 CCCCCCC(C)NCCCS b1d8bee129a8f36dc6dd22934e0f01b7 [0,3,0,0,0,0|1,0,0]=4 24022 B12R0.47 CCCCCCC(C)NCCOC dffd02e0f19dafdcd104b5261548f396 [0,3,0,0,0,0|1,0,0]=4 24023 B12R0.47 CCCCCCC(C)NCCSC 9e4f2273330b1288be68124cd1e5ac48 [0,3,0,0,0,0|1,0,0]=4 24024 B12R0.47 CCCCCCC(C)NCOCC 5191d1f7eaf3b7af6dc65c3dfdd7363e [0,3,0,0,0,0|1,0,0]=4 24025 B12R0.47 CCCCCCC(C)OCCCC 91c3961f3f6d22a2d014ce956e9309c9 [0,3,0,0,0,0|0,0,0]=3 24026 B12R0.47 CCCCCCC(C)OCCCF 71ce7dc14f9bcc1f63ed80da65f27345 [0,3,0,0,0,0|1,0,0]=4 24027 B12R0.47 CCCCCCC(C)OCCCS 8d72de7642bf69ea7b762c2723775fbd [0,3,0,0,0,0|1,0,0]=4 24028 B12R0.47 CCCCCCC(C)OCCOC 07f40bf4ffe0e72e73a8100ba56119e8 [0,3,0,0,0,0|1,0,0]=4 24029 B12R0.47 CCCCCCC(C)OCCSC 587d4d9df10def2ee20ba4edaa321939 [0,3,0,0,0,0|1,0,0]=4 24030 B12R0.47 CCCCCCN(C)CCCCC de2c76ac4a03f09b2a1d65470af33fea [0,3,0,0,0,0|1,0,0]=4 24031 B12R0.47 CCCCCCN(C)CCCCF 67d1c443e95cf1480d766c196b593014 [0,3,0,0,0,0|1,0,0]=4 24032 B12R0.47 CCCCCCN(C)CCCCO 19a9642de3a5470f77615907ffa925ac [0,3,0,0,0,0|1,0,0]=4 24033 B12R0.47 CCCCCCN(C)CCCOC edbee002939533f2c268cf6a69c8213e [0,3,0,0,0,0|1,0,0]=4 24034 B12R0.47 CCCCCCN(C)CCCSC b08e6c97c1ded6cfc15a6d81aa58654f [0,3,0,0,0,0|1,0,0]=4 24035 B12R0.47 CCCCCCN(C)CCOCC dd5c238fee1343f5b4342be34e847a8b [0,3,0,0,0,0|1,0,0]=4 24036 B12R0.47 CCCCCCN(C)CCSCC 5efb3d5016234ba9a81d1121d83366e1 [0,3,0,0,0,0|1,0,0]=4 24037 B12R0.47 CCCCCC[C@@H](C)NCCCC 7b4919e3176f9c6cf661b8ddb2b97a58 [0,3,0,0,0,0|1,0,0]=4 24038 B12R0.47 CCCCCC[C@@H](C)NCCCF c8d4011fd619c97191f211941dadba5f [0,3,0,0,0,0|1,0,0]=4 24039 B12R0.47 CCCCCC[C@@H](C)NCCCO 61cf19d2c3f82e1e636c3bfb254ca967 [0,3,0,0,0,0|1,0,0]=4 24040 B12R0.47 CCCCCC[C@@H](C)NCCCS d7052b77e5c390137d0da1f11f562e3a [0,3,0,0,0,0|1,0,0]=4 24041 B12R0.47 CCCCCC[C@@H](C)NCCOC 3a045026ab1a7fb1a1f1a6ddf435a3a6 [0,3,0,0,0,0|1,0,0]=4 24042 B12R0.47 CCCCCC[C@@H](C)NCCSC 5663ab31980f1dd57fd94b1024e393db [0,3,0,0,0,0|1,0,0]=4 24043 B12R0.47 CCCCCC[C@@H](C)NCOCC 7774fec4fc2b5c93a1cd0d7af9ed57d8 [0,3,0,0,0,0|1,0,0]=4 24044 B12R0.47 CCCCCC[C@@H](C)OCCCC 513c230e19cc167fd2d4cc2df92663b4 [0,3,0,0,0,0|0,0,0]=3 24045 B12R0.47 CCCCCC[C@@H](C)OCCCF 04714c2c3630e119858e6da982f661a8 [0,3,0,0,0,0|1,0,0]=4 24046 B12R0.47 CCCCCC[C@@H](C)OCCCS b9bb0f4d314378eefd238fcae3983be4 [0,3,0,0,0,0|1,0,0]=4 24047 B12R0.47 CCCCCC[C@@H](C)OCCOC 904fd973551374cdfec85235fe91e99b [0,3,0,0,0,0|1,0,0]=4 24048 B12R0.47 CCCCCC[C@@H](C)OCCSC 803c716743404158ff888fe48d87c0e5 [0,3,0,0,0,0|1,0,0]=4 24049 B12R0.47 CCCCCC[C@H](C)NCCCC 09f3319509a09e4751dd88ec91bfc712 [0,3,0,0,0,0|1,0,0]=4 24050 B12R0.47 CCCCCC[C@H](C)NCCCF 59f89f640e446fc6219fd26ee8059dc2 [0,3,0,0,0,0|1,0,0]=4 24051 B12R0.47 CCCCCC[C@H](C)NCCCO 70452ecdb132bbc6559ce1bfe685ce8f [0,3,0,0,0,0|1,0,0]=4 24052 B12R0.47 CCCCCC[C@H](C)NCCCS 8f92ed1994221121f3349af01564db88 [0,3,0,0,0,0|1,0,0]=4 24053 B12R0.47 CCCCCC[C@H](C)NCCOC f49af1cec31a9941e22b14a5a529f54f [0,3,0,0,0,0|1,0,0]=4 24054 B12R0.47 CCCCCC[C@H](C)NCCSC 35ba54081c8ef26348e7574cb81cf88a [0,3,0,0,0,0|1,0,0]=4 24055 B12R0.47 CCCCCC[C@H](C)NCOCC dd1f8626ce0df37b222d9ef2d3798f63 [0,3,0,0,0,0|1,0,0]=4 24056 B12R0.47 CCCCCC[C@H](C)OCCCC 624e39d4f4ecffa1e4ec5fe626fc0ce8 [0,3,0,0,0,0|0,0,0]=3 24057 B12R0.47 CCCCCC[C@H](C)OCCCF 3bcc7812287480ad74af886f5afa3bea [0,3,0,0,0,0|1,0,0]=4 24058 B12R0.47 CCCCCC[C@H](C)OCCCS 3203ee702b6df3d0733cbdf0c726df7b [0,3,0,0,0,0|1,0,0]=4 24059 B12R0.47 CCCCCC[C@H](C)OCCOC 60191529a17ad40c76b1ee8bc64301ea [0,3,0,0,0,0|1,0,0]=4 24060 B12R0.47 CCCCCC[C@H](C)OCCSC d4a287c39ee8f3281afff4ef367e7c8f [0,3,0,0,0,0|1,0,0]=4 24061 B12R0.47 CCCCCN(C)CCCCC#N 97fe10e4e81c4c9e1d807bb39794ad84 [0,3,0,0,0,0|1,0,0]=4 24062 B12R0.47 CCCCCN(C)CCCCC=O 96179b73c8feadd7e6b61b0448242171 [0,3,0,0,0,0|1,0,0]=4 24063 B12R0.47 CCCCCN(C)CCCCCF 09764a5350e1d1788bd49c1360fc189a [0,3,0,0,0,0|1,0,0]=4 24064 B12R0.47 CCCCCN(C)CCCCCO 8da4ea1d8c0c6ea8ab7e6cd0ee4ba4b6 [0,3,0,0,0,0|1,0,0]=4 24065 B12R0.47 CCCCCN(C)CCCCOC 104d6f29f809567300dc870eda9a6a97 [0,3,0,0,0,0|1,0,0]=4 24066 B12R0.47 CCCCCN(C)CCCCON cc712fb89cf803828cfbd0b69e6b2209 [0,3,0,0,0,0|1,0,0]=4 24067 B12R0.47 CCCCCN(C)CCCOCC 69663e28cfc8ed2b0b9841ab21778067 [0,3,0,0,0,0|1,0,0]=4 24068 B12R0.47 CCCCCN(C)CCCSCC b06b2fd95892f10cbd642dae70c22659 [0,3,0,0,0,0|1,0,0]=4 24069 B12R0.47 CCCCCN(C)CCOCCC c80cdc4d6a4816ab935a22ddf8d94a37 [0,3,0,0,0,0|1,0,0]=4 24070 B12R0.47 CCCCCN(C)CCOCCO fa8addea6438c44de116cd75e51d2713 [0,3,0,0,0,0|1,0,0]=4 24071 B12R0.47 CCCCCN(C)CCOCOC 22d98f2a8c802be7d43932e9b92b65f5 [0,3,0,0,0,0|1,0,0]=4 24072 B12R0.47 CCCCCN(C)COCCCC 4a466ffe58e78a4308f6c0a8cae20b55 [0,3,0,0,0,0|0,0,0]=3 24073 B12R0.47 CCCCCN(C)COCCOC 77e382e18b43b0ba9f635e4892ce7bb7 [0,3,0,0,0,0|1,0,0]=4 24074 B12R0.47 CCCCCNC(=O)CCCCC b5fe642543dcb5e20a67f916a9dcc468 [0,3,0,0,0,0|1,0,0]=4 24075 B12R0.47 CCCCCNC(=O)CCCCF d7d479200460399b62b9318dfc89379f [0,3,0,0,0,0|1,0,0]=4 24076 B12R0.47 CCCCCNC(=O)CCCCO c1212cbafc3a233aca40a5c966281589 [0,3,0,0,0,0|1,0,0]=4 24077 B12R0.47 CCCCCNC(=O)CCCCS 974a6ffc937bf1506409188a7705deb2 [0,3,0,0,0,0|1,0,0]=4 24078 B12R0.47 CCCCCNC(=O)CCCOC c2906328fee3052816cd637263b1222e [0,3,0,0,0,0|1,0,0]=4 24079 B12R0.47 CCCCCNC(=O)CCCSC bd5fb2b8eff18d6db3902ac33e8b45a4 [0,3,0,0,0,0|1,0,0]=4 24080 B12R0.47 CCCCCNC(=O)CCOCC cdfb470aab8a9345824c0f92b9abe48a [0,3,0,0,0,0|1,0,0]=4 24081 B12R0.47 CCCCCNC(=O)CCSCC 8f07a2091df72753d74d1e8db3695c39 [0,3,0,0,0,0|1,0,0]=4 24082 B12R0.47 CCCCCNC(=O)CNCCC 22592a6e4195a9c61bbaf28c46ee764e [0,3,0,0,0,0|1,0,0]=4 24083 B12R0.47 CCCCCNC(=O)COCCC 747800b86160b7cb84a42839beab95d1 [0,3,0,0,0,0|1,0,0]=4 24084 B12R0.47 CCCCCNC(=O)CSCCC 3f18399479ae3f58f822f80722554d8c [0,3,0,0,0,0|1,0,0]=4 24085 B12R0.47 CCCCCNC(=O)NCCCC 6be9e272633a1eb6f56b2d0608a5a7ae [0,3,0,0,0,0|1,0,0]=4 24086 B12R0.47 CCCCCNC(=S)NCCCC a97c5744f058d9ff2daf622cba58216c [0,3,0,0,0,0|1,0,0]=4 24087 B12R0.47 CCCCCNC(C)CCCCC 02179ddb54bf1b0d142d05cf94c61a17 [0,3,0,0,0,0|1,0,0]=4 24088 B12R0.47 CCCCCNC(C)CCCCO 4f268f8255644c2064fa16ace921940b [0,3,0,0,0,0|1,0,0]=4 24089 B12R0.47 CCCCCN[C@@H](C)CCCCC 98918579fe42a664c7763ac692b7a823 [0,3,0,0,0,0|1,0,0]=4 24090 B12R0.47 CCCCCOC(C)CCCCC 7443a84e40d2932ee1d5a472c2231e17 [0,3,0,0,0,0|0,0,0]=3 24091 B12R0.47 CCCCCOC(C)COCCC 258736fdf5058f983f2e3e25a3da1659 [0,3,0,0,0,0|0,0,0]=3 24092 B12R0.47 CCCCCO[C@@H](C)CCCCC 5b2337bab3407ac539351ae21058fba3 [0,3,0,0,0,0|0,0,0]=3 24093 B12R0.47 CCCCCO[C@H](C)CCCCC 341c46d1c539437246e8853668633897 [0,3,0,0,0,0|0,0,0]=3 24094 B12R0.47 CCCCC[C@@H](C)OCCCC#N 34b32437acabf1ac70247d4896147ba3 [0,3,0,0,0,0|0,0,1]=4 24095 B12R0.47 CCCCC[C@@H](C)OCCCC=O b54ed70834a40d4730ab7b00e5ec3669 [0,3,0,0,0,0|0,0,1]=4 24096 B12R0.47 CCCCC[C@@H](C)OCCCCF 2530db3e470a33b98a497af20d18d763 [0,3,0,0,0,0|0,0,0]=3 24097 B12R0.47 CCCCC[C@@H](C)OCCCOC 58e5103470566c47683036413199fcaf [0,3,0,0,0,0|0,0,0]=3 24098 B12R0.47 CCCCC[C@@H](C)OCCCSC 35adc5f7c82b359a9a8d2ed1d3d12db3 [0,3,0,0,0,0|0,0,0]=3 24099 B12R0.47 CCCCC[C@@H](C)OCCOCC 0e2053ad662cb9641497d1805e1a4c26 [0,3,0,0,0,0|0,0,0]=3 24100 B12R0.47 CCCCC[C@@H](C)OCCSCC 0600729f922be77d60e7fa49bd3c7144 [0,3,0,0,0,0|0,0,0]=3 24101 B12R0.47 CCCCC[C@H](C)NCCCCCl 1e957da19c5b1572445bacdcb36d8e07 [0,3,0,0,0,0|1,0,0]=4 24102 B12R0.47 CCCCC[C@H](C)NCCCCF 37d14e84741808ea17aa5d0bb2287384 [0,3,0,0,0,0|1,0,0]=4 24103 B12R0.47 CCCCC[C@H](C)NCCCCO 1ccbbd229f64aa05ccd893dfbc011a98 [0,3,0,0,0,0|1,0,0]=4 24104 B12R0.47 CCCCC[C@H](C)NCCCCS cd5cc5a91d82dfcbceec2e74d4bbd550 [0,3,0,0,0,0|1,0,0]=4 24105 B12R0.47 CCCCC[C@H](C)NCCCOC b46a37764d01e9e867c1990355f37266 [0,3,0,0,0,0|1,0,0]=4 24106 B12R0.47 CCCCC[C@H](C)NCCCSC 362610c6b369a476d81047c3a5c71e02 [0,3,0,0,0,0|1,0,0]=4 24107 B12R0.47 CCCCC[C@H](C)NCCOCC dcab9492056ec2a6262acd2c42ab15a6 [0,3,0,0,0,0|1,0,0]=4 24108 B12R0.47 CCCCC[C@H](C)NCCSCC 794c7edb9aa7eaf7d579679251b20c5f [0,3,0,0,0,0|1,0,0]=4 24109 B12R0.47 CCCCC[C@H](C)OCCCC#N c8dd89d293033ebe3c12d48aa19bc93e [0,3,0,0,0,0|0,0,1]=4 24110 B12R0.47 CCCCC[C@H](C)OCCCC=O 566f0c8f020e7e3177d39cf4ad0bc53f [0,3,0,0,0,0|0,0,1]=4 24111 B12R0.47 CCCCC[C@H](C)OCCCCF 28a9e39065f2fa613025a001b12dc059 [0,3,0,0,0,0|0,0,0]=3 24112 B12R0.47 CCCCC[C@H](C)OCCCCS 112cb6b11e08a0bbc7d229419e33ea4b [0,3,0,0,0,0|0,0,0]=3 24113 B12R0.47 CCCCC[C@H](C)OCCCOC 8b835d302f993b01090d3cc30f345308 [0,3,0,0,0,0|0,0,0]=3 24114 B12R0.47 CCCCC[C@H](C)OCCCSC bb5a2165c1759fb4f6bf1dfb3c02f21d [0,3,0,0,0,0|0,0,0]=3 24115 B12R0.47 CCCCC[C@H](C)OCCOCC f1c8a8bb8ba730d391477c60a2e2fca7 [0,3,0,0,0,0|0,0,0]=3 24116 B12R0.47 CCCCC[C@H](C)OCCSCC 9701f671d38c4b53ba827ff31c744685 [0,3,0,0,0,0|0,0,0]=3 24117 B12R0.47 CCCCNC(=O)CCCCCF 2d2ace780ba2ba4cd1b15057005fa5cc [0,3,0,0,0,0|1,0,0]=4 24118 B12R0.47 CCCCNC(=O)CCCCCO d48cb3643aa594621d14c8897847d40c [0,3,0,0,0,0|1,0,0]=4 24119 B12R0.47 CCCCNC(=O)CCCCCS be9a3a920d54b6e82a40a20194e4c1b1 [0,3,0,0,0,0|1,0,0]=4 24120 B12R0.47 CCCCNC(=O)CCOCCC d0e2a9e04e899c5c1a5e3ed9f368e4df [0,3,0,0,0,0|1,0,0]=4 24121 B12R0.47 CCCCNC(=O)COCCCC 40ca8b8d38d2249a1a63f53a5e2ed5e3 [0,3,0,0,0,0|0,0,0]=3 24122 B12R0.47 CCCCNC(=O)COCCCF 683c385d9b72d3a97c701afcaf1bc15c [0,3,0,0,0,0|1,0,0]=4 24123 B12R0.47 CCCCNC(=O)COCCCS 95acda49a565d36ad57b179c5d65b5e4 [0,3,0,0,0,0|1,0,0]=4 24124 B12R0.47 CCCCNC(=O)COCCOC 03c783f20d997d92c00497911e6eaa92 [0,3,0,0,0,0|1,0,0]=4 24125 B12R0.47 CCCCNC(=O)COCCSC 67f26523846e81478a62a77d43af1511 [0,3,0,0,0,0|1,0,0]=4 24126 B12R0.47 CCCCNC(=O)CSCCCC a2f8d26d207f56e96cc1240c72fea9aa [0,3,0,0,0,0|0,1,0]=4 24127 B12R0.47 CCCCNCC(=O)NCCCC a409d1a8bd6f9d37045735bb5b772384 [0,3,0,0,0,0|1,0,0]=4 24128 B12R0.47 CCCCNCC(=O)OCCCC 8cf36cfe80d146e028be9b047eb4b88c [0,3,0,0,0,0|0,0,0]=3 24129 B12R0.47 CCCCNCC(=O)OCCOC 069ddb12c169e4b2c894bdf9cd5698fb [0,3,0,0,0,0|1,0,0]=4 24130 B12R0.47 CCCCOC(=O)CCCOCC 0a6013eb1423d39275d7f3a4a0490909 [0,3,0,0,0,0|0,0,0]=3 24131 B12R0.47 CCCCOC(=O)CCCOCF ac9f6c224a9199a1edd8dd33a56fb91c [0,3,0,0,0,0|0,0,1]=4 24132 B12R0.47 CCCCOC(=O)CNCCCCl 89e2a9f23f88113578df0c4c6aa1b10a [0,3,0,0,0,0|0,0,1]=4 24133 B12R0.47 CCCCOC(=O)CNCCCO ca8ca649bbd90712da23438f56b61779 [0,3,0,0,0,0|0,0,1]=4 24134 B12R0.47 CCCCOC(=O)CNCCOC 17da6f3932425b4ca698128aacac912f [0,3,0,0,0,0|0,0,1]=4 24135 B12R0.47 CCCCOC(=O)CNCCSC 84feb03096a60d05abdfca24be440007 [0,3,0,0,0,0|0,0,1]=4 24136 B12R0.47 CCCCOC(=O)COCCCF 4e67d2cbad77261a2cd0d3de48e96c62 [0,3,0,0,0,0|0,0,1]=4 24137 B12R0.47 CCCCOC(=O)COCCCS 5b80b53db885545e9899e378e88d89a2 [0,3,0,0,0,0|0,0,1]=4 24138 B12R0.47 CCCCOC(=O)COCCOC f47df171bc9e2a5b9f741157e46c54c4 [0,3,0,0,0,0|0,0,1]=4 24139 B12R0.47 CCCCOC(=O)COCCSC 0945955f101639625f5e4088cd7c6f6e [0,3,0,0,0,0|0,0,1]=4 24140 B12R0.47 CCCCOC(=O)COCOCC a1ed03e585b64e5c67e84d33bd9a7ae7 [0,3,0,0,0,0|0,0,1]=4 24141 B12R0.47 CCCCOC(=O)OCNCCC ce3e29aaf03e4dc0deced2dce2975a25 [0,3,0,0,0,0|0,0,1]=4 24142 B12R0.47 CCCCOC(=O)OCOCCC 0b7e31575fe79e55e910c65c27aca9bc [0,3,0,0,0,0|0,0,1]=4 24143 B12R0.47 CCCCOCC(=O)NCCCCl 5df0871f050ae494734d0277243e8c82 [0,3,0,0,0,0|0,0,1]=4 24144 B12R0.47 CCCCOCC(=O)NCCCO e8d83686e66909aa7db541d8544ed325 [0,3,0,0,0,0|0,0,1]=4 24145 B12R0.47 CCCCOCC(=O)NCCOC 34d104f4d6daa0f2cb228b269b5183f1 [0,3,0,0,0,0|0,0,1]=4 24146 B12R0.47 CCCCOCC(=O)NCCSC 0abb1275428c4b79c7314e0c7d0049d6 [0,3,0,0,0,0|0,0,1]=4 24147 B12R0.47 CCCCOCC(=O)OCCCC ccfbb6321c0687b52bcffe6aebfb7b82 [0,3,0,0,0,0|0,0,0]=3 24148 B12R0.47 CCCCOCC(=O)OCCOC 03a6b96b7e42c407dba7c09a13aecb33 [0,3,0,0,0,0|0,0,1]=4 24149 B12R0.47 CCCCOCC(C)COCCC 4d954215eac38a6b923d8034159009ff [0,3,0,0,0,0|0,0,0]=3 24150 B12R0.47 CCCCOCC(C)OCCC#N 5d33d6e11bd486e418414ad8a56315d4 [0,3,0,0,0,0|0,0,1]=4 24151 B12R0.47 CCCCOCC(C)OCCC=O a3f1a358b4cc2b31ea606ca4948d9be4 [0,3,0,0,0,0|0,0,1]=4 24152 B12R0.47 CCCCOCC(C)OCCCC c79109f93ec5d8593451a53a391547f5 [0,3,0,0,0,0|0,0,0]=3 24153 B12R0.47 CCCCOCC(C)OCCCF e848c2269840d57b2cbca24d62ebdcd4 [0,3,0,0,0,0|0,0,0]=3 24154 B12R0.47 CCCCOCC(C)OCCCS b3a020f43f3584e9bd25c74896e45d92 [0,3,0,0,0,0|0,0,0]=3 24155 B12R0.47 CCCCOCC(C)OCCOC 46e7613566c4a07c300afd5f3ee5f407 [0,3,0,0,0,0|0,0,0]=3 24156 B12R0.47 CCCCOCC(C)OCCSC 69485b46986c5836ff80ef73975efcc9 [0,3,0,0,0,0|0,0,0]=3 24157 B12R0.47 CCCCOCN(C)CCCCO 77cf8edb5639d3059ce85ac52f799182 [0,3,0,0,0,0|0,0,0]=3 24158 B12R0.47 CCCCOCN(C)CCCOC ef1ea2a5422fef8bb38ebab8f7a03cd0 [0,3,0,0,0,0|0,0,0]=3 24159 B12R0.47 CCCCOCN(C)CCOCC d136dc202ce48cedb9f5614670feb5ab [0,3,0,0,0,0|0,0,0]=3 24160 B12R0.47 CCCNCC(=O)OCCOCC 05ea51f226d1004901f7e416f22e7390 [0,3,0,0,0,0|0,0,1]=4 24161 B12R0.47 CCCOCC(=O)OCCOCC 808c13b53d8a9dbfebd44fc14370a72d [0,3,0,0,0,0|0,0,1]=4 24162 B12R0.47 CCCOCC(C)COCCCF 7ce9ac10ad89162592db86e4391370ae [0,3,0,0,0,0|1,0,0]=4 24163 B12R0.47 CCCOCC(C)COCCCS 09b6837f1a6e6e7cc916904bfe287bbf [0,3,0,0,0,0|1,0,0]=4 24164 B12R0.47 CCCOCC(C)COCCOC 377156437f7aec126dfb08b12583e28d [0,3,0,0,0,0|1,0,0]=4 24165 B12R0.47 CCCOCC(C)COCCSC ea0c940e1715bd43effb001c169fdf94 [0,3,0,0,0,0|1,0,0]=4 24166 B12R0.47 CCCOCC(C)OCCCC#N 57bfe080af1edaf6670175667c81034a [0,3,0,0,0,0|0,0,1]=4 24167 B12R0.47 CCCOCC(C)OCCCC=O 7330c49bb618d50dd461ed4bf63a6438 [0,3,0,0,0,0|0,0,1]=4 24168 B12R0.47 CCCOCC(C)OCCCCF 01b4e7ddb5883447f29fedff28096b6d [0,3,0,0,0,0|0,0,0]=3 24169 B12R0.47 CCCOCC(C)OCCCOC f197eb466490d46597dd41468f28c1cc [0,3,0,0,0,0|0,0,0]=3 24170 B12R0.47 CCCOCC(C)OCCCSC 40f46331b9fff5eaa4c3fac8fc1cc006 [0,3,0,0,0,0|0,0,0]=3 24171 B12R0.47 CCCOCC(C)OCCOCC 8193df04ee6cd2e7cb414e963ae91b80 [0,3,0,0,0,0|0,0,0]=3 24172 B12R0.47 CCCOCC(C)OCCSCC 29f1bb2946700ab44758f5f2138a846c [0,3,0,0,0,0|0,0,0]=3 24173 B12R0.47 CCCOCCN(C)CCCCO abfd8d131314df750919b86d03e590da [0,3,0,0,0,0|1,0,0]=4 24174 B12R0.47 CCCOCCN(C)CCCOC a49b669e1955bb23a3f20c854d80167c [0,3,0,0,0,0|1,0,0]=4 24175 B12R0.47 CCCOCCN(C)CCOCC 4be965f189f9c62a24b9ce1caede3c1f [0,3,0,0,0,0|1,0,0]=4 24176 B12R0.47 CCOCCCN(C)CCCCO 774549d562967b1e0bcb29e88f62eda4 [0,3,0,0,0,0|1,0,0]=4 24177 B12R0.47 CCOCCCN(C)CCCOC 8f45586cc29477d33b6e0cf5b66d9117 [0,3,0,0,0,0|1,0,0]=4 24178 B12R0.47 CCOCCCN(C)CCOCC fa349bdd6574ebabd14e28f156c8ff3a [0,3,0,0,0,0|1,0,0]=4 24179 B12R0.47 CCOCCN(C)CCCCCF 942dadeecc6d6474822d995ca1ae5c70 [0,3,0,0,0,0|1,0,0]=4 24180 B12R0.47 CCOCCN(C)CCCCCO 5cbefa778641e50b0c6d2d9c7605e47a [0,3,0,0,0,0|1,0,0]=4 24181 B12R0.47 CCOCCN(C)CCCCOC 82c7e21a2206cf5b269ed8e676e3a48a [0,3,0,0,0,0|1,0,0]=4 24182 B12R0.47 CCOCCN(C)CCCSCC 0e401e29c726ddbfec8110e21f28b46a [0,3,0,0,0,0|1,0,0]=4 24183 B12R0.47 CCOCCN(C)COCCOC f8a72c6d425aaeba86feba0b7e728700 [0,3,0,0,0,0|1,0,0]=4 24184 B12R0.47 CCOCCNC(C)CCCCO 8189d6ec6ad7eb8be067818453c7fa7d [0,3,0,0,0,0|1,0,0]=4 24185 B12R0.47 CCSCCCN(C)CCCCO 3b42474ace9fc794a1cba1afb8ce59f1 [0,3,0,0,0,0|1,0,0]=4 24186 B12R0.47 CCSCCCN(C)CCCOC e78d8ec9ccc0c7a43a8d3151e78e492d [0,3,0,0,0,0|1,0,0]=4 24187 B12R0.47 CCSCCN(C)CCCCCO 670c668c3a96fb63aa08009ac784f942 [0,3,0,0,0,0|1,0,0]=4 24188 B12R0.47 CCSCCN(C)CCCCOC d56b410945dea641fb2931c541ebb8eb [0,3,0,0,0,0|1,0,0]=4 24189 B12R0.47 CCSCCNC(C)CCCCO 6260aa3f5006f467d63c6bebca48b61d [0,3,0,0,0,0|1,0,0]=4 24190 B12R0.47 CN(CCCCF)CCCCCO e4dbc7e5ac3108612bf7b1e06c29761f [0,3,0,0,0,0|1,0,0]=4 24191 B12R0.47 CN(CCCCO)CCCCCF 4c530ee2c9611698e1dde5807bfdb9ab [0,3,0,0,0,0|1,0,0]=4 24192 B12R0.47 CN(CCCCO)CCCCCO b2015cd90365900e8fdfba8c86a0dbac [0,3,0,0,0,0|1,0,0]=4 24193 B12R0.47 COCCCCN(C)CCCCF f21934859bcc4fe5bee1d2e299cec04a [0,3,0,0,0,0|1,0,0]=4 24194 B12R0.47 COCCCCN(C)CCCCO 2e40f6b0d2c59a25edebbe90501eb5d0 [0,3,0,0,0,0|1,0,0]=4 24195 B12R0.47 COCCCCN(C)CCCOC c61dfd8c1bb46ca1e6c8642803572b69 [0,3,0,0,0,0|1,0,0]=4 24196 B12R0.47 COCCCCN(C)CCCSC c18cba8365414abecd624576acbb8f7c [0,3,0,0,0,0|1,0,0]=4 24197 B12R0.47 COCCCN(C)CCCCCF a1a4f75d9322c8e1a9d987257570489d [0,3,0,0,0,0|1,0,0]=4 24198 B12R0.47 COCCCN(C)CCCCCO 0d3d4dc9f0d6e302f683ef8597149a6d [0,3,0,0,0,0|1,0,0]=4 24199 B12R0.47 COCCCN(C)COCCOC 190983286c8eb7346314b31e1d03db3c [0,3,0,0,0,0|1,0,0]=4 24200 B12R0.47 COCCCNC(C)CCCCO f44258431b3005c8ee8d4c822e00b06d [0,3,0,0,0,0|1,0,0]=4 24201 B12R0.47 COCCOCN(C)CCCCO eb81fc6a6afa4202588aa2555e4b856c [0,3,0,0,0,0|1,0,0]=4 24202 B12R0.47 CSCCCN(C)CCCCCO 31d083b77462364223e6a25ee6179e93 [0,3,0,0,0,0|1,0,0]=4 24203 B12R0.47 CSCCCNC(C)CCCCO 9398dcdadd2f2369eb39902eaf0429db [0,3,0,0,0,0|1,0,0]=4 24204 B12R0.95 C=C(C)CCCNC(C)CCCC 93d121bdce1895fc618f7c2a630b6f91 [0,3,0,0,0,0|1,0,0]=4 24205 B12R0.95 C=C(C)CCCN[C@H](C)CCCC e94b83693f88ce617a8553adfa5e5a8f [0,3,0,0,0,0|1,0,0]=4 24206 B12R0.95 C=C(C)CCCOC(C)CCCC dd43ed2da7925eeac99b471372cfa5e0 [0,3,0,0,0,0|0,0,0]=3 24207 B12R0.95 C=C(C)CCCOC(C)CCOC 8a3724806456b978d2eb6ba3058f572c [0,3,0,0,0,0|0,0,1]=4 24208 B12R0.95 C=C(C)CCCOC(C)CCSC fcda0940409d651ebb869fc3537d3a5b [0,3,0,0,0,0|0,0,1]=4 24209 B12R0.95 C=C(C)CCCOC(C)COCC 1ca325e76588d13599a34bd15a4e87a7 [0,3,0,0,0,0|0,0,1]=4 24210 B12R0.95 C=C(C)CCCO[C@@H](C)CCCC 018e378a6ee57063f049bf7b495df060 [0,3,0,0,0,0|0,0,0]=3 24211 B12R0.95 C=C(C)CCCO[C@H](C)CCCC 15b49b685e3d2201f2e3f2519e817f20 [0,3,0,0,0,0|0,0,0]=3 24212 B12R0.95 C=C(C)CCOCC(C)CCCC c611ab9b7373b5a046255e391e6acb5b [0,3,0,0,0,0|0,0,1]=4 24213 B12R0.95 C=CCCC(C)OCCCC(C)C 51c782611e864714d8ed7d7d04251177 [0,3,0,0,0,0|0,0,1]=4 24214 B12R0.95 C=CCC[C@@H](C)OCCCC(C)C a6da0c29133272820e729798f644cd52 [0,3,0,0,0,0|0,0,1]=4 24215 B12R0.95 CC(C)CCCNC(C)CCCO 1d5a861f08bd7a23d302826c039859be [0,3,0,0,0,0|1,0,0]=4 24216 B12R0.95 CC(C)CCCN[C@H](C)CCCO a8e9fc6a033ef3c4f6b51f0c92edec00 [0,3,0,0,0,0|1,0,0]=4 24217 B12R0.95 CC(C)CCCOC(C)CCC#N 469d5740d3024673f51963648469dc87 [0,3,0,0,0,0|0,0,1]=4 24218 B12R0.95 CC(C)CCNC[C@H](C)CCCO 8a045322461d41cdf3f6f15a8d769411 [0,3,0,0,0,0|1,0,0]=4 24219 B12R0.95 CC(O)CCCNC(C)CCCO b125c924edc4e12265517ba022243be1 [0,3,0,0,0,0|1,0,0]=4 24220 B12R0.95 CC(O)CCCN[C@H](C)CCCO b83ccf342dde06ed04a7cf0f44314d34 [0,3,0,0,0,0|1,0,0]=4 24221 B12R0.95 CC(O)CCNC[C@H](C)CCCO 02896348b05b38b87d2c69e0abff50bc [0,3,0,0,0,0|1,0,0]=4 24222 B12R0.95 CCC#CC(C)OCCCC(C)C 7e8653835b26ba22332d41746954a851 [0,3,0,0,0,0|0,0,1]=4 24223 B12R0.95 CCCCC(=O)NCCCC(C)C 4cfbd8cd4787b68f67725c2f6395b859 [0,3,0,0,0,0|1,0,0]=4 24224 B12R0.95 CCCCC(=O)OCNCC(C)C 398b5c2dd73854504a11d47800dfa85c [0,3,0,0,0,0|0,0,1]=4 24225 B12R0.95 CCCCC(=O)OCNCC(C)O 44153623ecf39cc3939ac933198b5245 [0,3,0,0,0,0|0,0,1]=4 24226 B12R0.95 CCCCC(=O)OCNC[C@@H](C)O 154d85b5e31ba6f85d6cd62d8271e631 [0,3,0,0,0,0|0,0,1]=4 24227 B12R0.95 CCCCC(=O)OCNC[C@H](C)O e3492d206ed25d7c1e0ea2b05bf1e2bd [0,3,0,0,0,0|0,0,1]=4 24228 B12R0.95 CCCCC(=O)OCOCC(C)C d415ef9bdea7f5aca14fd71c6f1d7e8e [0,3,0,0,0,0|0,0,1]=4 24229 B12R0.95 CCCCC(=O)OCOCC(C)F 40d933d076752a93a273432d476a671f [0,3,0,0,0,0|0,0,1]=4 24230 B12R0.95 CCCCC(=O)OCOCC(C)S cc9e25e72674342f1ff946950434f5e5 [0,3,0,0,0,0|0,0,1]=4 24231 B12R0.95 CCCCC(=O)OCOC[C@@H](C)F a391fe0f327a4a5711323c423e71c560 [0,3,0,0,0,0|0,0,1]=4 24232 B12R0.95 CCCCC(=O)OCOC[C@H](C)F da7ea854b57a8ef4e443cccb85659192 [0,3,0,0,0,0|0,0,1]=4 24233 B12R0.95 CCCCC(C)CCOCC(C)C 6e56ac07f0455e8220f5bbf0b29bf48c [0,3,0,0,0,0|1,0,0]=4 24234 B12R0.95 CCCCC(C)COCCC(=O)C 75ae99acfb87323513244f7a07dfb8cd [0,3,0,0,0,0|0,0,1]=4 24235 B12R0.95 CCCCC(C)COCCC(C)C 33b9afb2e96b175222239ab0d09e270c [0,3,0,0,0,0|0,0,0]=3 24236 B12R0.95 CCCCC(C)COCCN(C)C a67ba988c68e9073163c060570797f86 [0,3,0,0,0,0|1,0,0]=4 24237 B12R0.95 CCCCC(C)COCCS(=O)C 559c8f9a8205d56ab4cc6234c4254b53 [0,3,0,0,0,0|1,0,0]=4 24238 B12R0.95 CCCCC(C)COCOC(C)C f7591d2324dba012bfd3292b0670633b [0,3,0,0,0,0|1,0,0]=4 24239 B12R0.95 CCCCC(C)NCCCC(=O)C acc59ca261b249a3b1371f42c6c89e61 [0,3,0,0,0,0|1,0,0]=4 24240 B12R0.95 CCCCC(C)NCCCC(C)C fabd5d6d4a7e5f1388366db44bc4586a [0,3,0,0,0,0|1,0,0]=4 24241 B12R0.95 CCCCC(C)NCCCC(C)O 218f8320dbdac59a524a65beccf9896f [0,3,0,0,0,0|1,0,0]=4 24242 B12R0.95 CCCCC(C)NCCCN(C)C ae40eeb9cc6a74aff30c7c7f78299b74 [0,3,0,0,0,0|1,0,0]=4 24243 B12R0.95 CCCCC(C)NCCCS(=O)C c42ccf769a7146e9012bc8711f546974 [0,3,0,0,0,0|1,0,0]=4 24244 B12R0.95 CCCCC(C)NCCOC(C)C 95b23febc9d92fa064d486fbb74344a2 [0,3,0,0,0,0|1,0,0]=4 24245 B12R0.95 CCCCC(C)NCCSC(C)C d625e98c71225a4a73c8f301750912d3 [0,3,0,0,0,0|1,0,0]=4 24246 B12R0.95 CCCCC(C)OC/C=C/C(C)C 2a404821dd5080c300e6f8cc4ba10a71 [0,3,0,0,0,0|0,0,1]=4 24247 B12R0.95 CCCCC(C)OCCC=C(C)C 3faff752f7207f1d29206420a7d991a0 [0,3,0,0,0,0|0,0,1]=4 24248 B12R0.95 CCCCC(C)OCCCC(=O)C 86a7fe92e475f05c32b98f14673e28ba [0,3,0,0,0,0|0,0,0]=3 24249 B12R0.95 CCCCC(C)OCCCC(=O)N 3d0cffc5ff9342f6a9b480c4d22a96d3 [0,3,0,0,0,0|0,0,1]=4 24250 B12R0.95 CCCCC(C)OCCCC(C)C 6eb82a262fc3c9f93db19d4d8511d1fb [0,3,0,0,0,0|0,0,0]=3 24251 B12R0.95 CCCCC(C)OCCCN(C)C f535721643bdd6dcafda2cd2aed1c314 [0,3,0,0,0,0|0,0,0]=3 24252 B12R0.95 CCCCC(C)OCCC[N+](=O)[O-] 4d03d5301f1a813cc92982014d7de9ed [0,3,0,0,0,0|1,0,0]=4 24253 B12R0.95 CCCCC(C)OCCNC(=O)C d5c884bae799b82af7e3244487bba7be [0,3,0,0,0,0|0,0,1]=4 24254 B12R0.95 CCCCC(C)OCCOC(=O)C a0df0af372ce277b20d09df398e3a9ae [0,3,0,0,0,0|0,0,1]=4 24255 B12R0.95 CCCCC(C)OCCOC(C)C cf4d510e580a8e97983d508e6485764d [0,3,0,0,0,0|0,0,0]=3 24256 B12R0.95 CCCCC(C)OCCOC(F)F 021349767919510c9446d27154e51e29 [0,3,0,0,0,0|1,0,0]=4 24257 B12R0.95 CCCCC(C)OCCSC(=O)C 65c240e566490801870ec2358c5abfd6 [0,3,0,0,0,0|0,0,1]=4 24258 B12R0.95 CCCCC(C)OCCSC(C)C 5c15b9c4feecda03ba35b33f4b54d80a [0,3,0,0,0,0|0,0,0]=3 24259 B12R0.95 CCCCC(O)CNCCC(C)C bb0664b2294c8d9c6c133e7710b71346 [0,3,0,0,0,0|1,0,0]=4 24260 B12R0.95 CCCCC(O)CNCCC(C)O d70dfcb7f4eb9acd043be980cca0f956 [0,3,0,0,0,0|1,0,0]=4 24261 B12R0.95 CCCCN(C)CCCCC(=O)C 184a106a3a28105257e267b5fc6908da [0,3,0,0,0,0|1,0,0]=4 24262 B12R0.95 CCCCN(C)CCCCC(C)C e57dfe98903f825f224ac54257e3f1e7 [0,3,0,0,0,0|1,0,0]=4 24263 B12R0.95 CCCCN(C)CCCCC(C)O f2ff8725cd55843f2931a4980b5f7d49 [0,3,0,0,0,0|1,0,0]=4 24264 B12R0.95 CCCCN(C)CCCCN(C)C 621f52ca5dd0d75d611d01fbb671e0d3 [0,3,0,0,0,0|1,0,0]=4 24265 B12R0.95 CCCCN(C)CCCC[C@@H](C)O 8285aac6c97c1cd4a6833ac275f30711 [0,3,0,0,0,0|1,0,0]=4 24266 B12R0.95 CCCCN(C)CCCNC(C)C 166f72faa3dff325f3ab005643cfaf93 [0,3,0,0,0,0|1,0,0]=4 24267 B12R0.95 CCCCN(C)CCNCC(C)C 6b2b69fea0db9bcf2e9689a6a981d871 [0,3,0,0,0,0|1,0,0]=4 24268 B12R0.95 CCCCN(C)CCNCC(C)O eaf356d9e348e626997ad3cfec8904fd [0,3,0,0,0,0|1,0,0]=4 24269 B12R0.95 CCCCN(C)CCNC[C@@H](C)O f3310c684e5e15a0144cbd71c8451222 [0,3,0,0,0,0|1,0,0]=4 24270 B12R0.95 CCCCN(C)CCNC[C@H](C)O ffb8469a7d580729210553d75d38877a [0,3,0,0,0,0|1,0,0]=4 24271 B12R0.95 CCCCN(C)CCOCC(C)C 155ee08f786b073cc309f055320523ba [0,3,0,0,0,0|1,0,0]=4 24272 B12R0.95 CCCC[C@@H](C)NCCCC(=O)C 4fca5ae2263f2832aba783074b1029d0 [0,3,0,0,0,0|1,0,0]=4 24273 B12R0.95 CCCC[C@@H](C)NCCCC(C)C 115694a8d0f2bd6004b764c01837d7c1 [0,3,0,0,0,0|1,0,0]=4 24274 B12R0.95 CCCC[C@@H](C)NCCCC(C)O 2807f33233ed2ac47839b59834e91646 [0,3,0,0,0,0|1,0,0]=4 24275 B12R0.95 CCCC[C@@H](C)NCCCN(C)C 341e2ec67ef4138671a1dd8cbb93e42c [0,3,0,0,0,0|1,0,0]=4 24276 B12R0.95 CCCC[C@@H](C)NCCOC(C)C dcef3adc8a72b81e77b17cbfb9a544c5 [0,3,0,0,0,0|1,0,0]=4 24277 B12R0.95 CCCC[C@@H](C)NCCSC(C)C d0f7a67caca9c81138883fae1250011c [0,3,0,0,0,0|1,0,0]=4 24278 B12R0.95 CCCC[C@@H](C)OC/C=C/C(C)C b99adff4efb56acdd2b70ef06ffcc6c4 [0,3,0,0,0,0|0,0,1]=4 24279 B12R0.95 CCCC[C@@H](C)OCCC=C(C)C f1736f75cd619157d3e6db505cb904ef [0,3,0,0,0,0|0,0,1]=4 24280 B12R0.95 CCCC[C@@H](C)OCCCC(=O)C f043b99ff811b24d31d5de7fe7a833d1 [0,3,0,0,0,0|0,0,0]=3 24281 B12R0.95 CCCC[C@@H](C)OCCCC(=O)N f4562cefb1e968ea0e19eac85ea2f13b [0,3,0,0,0,0|0,0,1]=4 24282 B12R0.95 CCCC[C@@H](C)OCCCC(C)C 19fb73957c0527d6e0e0c50e5ddba220 [0,3,0,0,0,0|0,0,0]=3 24283 B12R0.95 CCCC[C@@H](C)OCCCN(C)C b1ef2923a34bf0e862676119315eccb7 [0,3,0,0,0,0|0,0,0]=3 24284 B12R0.95 CCCC[C@@H](C)OCCC[N+](=O)[O-] 580758f1934c282b672449f38f9f2c9e [0,3,0,0,0,0|1,0,0]=4 24285 B12R0.95 CCCC[C@@H](C)OCCNC(=O)C bbf07f5f5a522f07330ef4b3851252ee [0,3,0,0,0,0|0,0,1]=4 24286 B12R0.95 CCCC[C@@H](C)OCCOC(=O)C 3d24f755f7c7b9fc5e589106c8e943c3 [0,3,0,0,0,0|0,0,1]=4 24287 B12R0.95 CCCC[C@@H](C)OCCOC(C)C a75b41437129e959684839493b07aac7 [0,3,0,0,0,0|0,0,0]=3 24288 B12R0.95 CCCC[C@@H](C)OCCOC(F)F a7add31fe7bded42dc5cb4fcbbe036be [0,3,0,0,0,0|1,0,0]=4 24289 B12R0.95 CCCC[C@@H](C)OCCSC(=O)C b8f40172618d309098aab159f17d9f48 [0,3,0,0,0,0|0,0,1]=4 24290 B12R0.95 CCCC[C@@H](C)OCCSC(C)C 82b270864c2a16880a983f31ff0f3cd6 [0,3,0,0,0,0|0,0,0]=3 24291 B12R0.95 CCCC[C@H](C)OC/C=C/C(C)C cfb46c146a0bc65364f96122297a7653 [0,3,0,0,0,0|0,0,1]=4 24292 B12R0.95 CCCC[C@H](C)OCCC=C(C)C e9b3ecd84fe5e92af8484570b120d7b7 [0,3,0,0,0,0|0,0,1]=4 24293 B12R0.95 CCCC[C@H](C)OCCCC(=O)C d9c3d18686eb34d706b2301b9b1d779d [0,3,0,0,0,0|0,0,0]=3 24294 B12R0.95 CCCC[C@H](C)OCCCC(=O)N 73b53dcadb9a4798054dbaf1119bb448 [0,3,0,0,0,0|0,0,1]=4 24295 B12R0.95 CCCC[C@H](C)OCCCC(C)C 8ca55e3b1a997d66401f601e823ac590 [0,3,0,0,0,0|0,0,0]=3 24296 B12R0.95 CCCC[C@H](C)OCCCN(C)C ac7f952297b5595f2c3cfc906c0d636e [0,3,0,0,0,0|0,0,0]=3 24297 B12R0.95 CCCC[C@H](C)OCCC[N+](=O)[O-] 3a3616c8b6c09df02a412eb81746328c [0,3,0,0,0,0|1,0,0]=4 24298 B12R0.95 CCCC[C@H](C)OCCNC(=O)C 64b15dd8549fbdaa7a9ec47ebe5a2879 [0,3,0,0,0,0|0,0,1]=4 24299 B12R0.95 CCCC[C@H](C)OCCOC(=O)C d890fce3fe51ec18d06b95de1a7a221b [0,3,0,0,0,0|0,0,1]=4 24300 B12R0.95 CCCC[C@H](C)OCCOC(C)C 1013a6830e0ce4f6310b65651de7595e [0,3,0,0,0,0|0,0,0]=3 24301 B12R0.95 CCCC[C@H](C)OCCOC(F)F dda0e882d1674c36ee9f47e50d818ccb [0,3,0,0,0,0|1,0,0]=4 24302 B12R0.95 CCCC[C@H](C)OCCSC(=O)C 0f0bcad0359ceaa4e4b524f4f20190af [0,3,0,0,0,0|0,0,1]=4 24303 B12R0.95 CCCC[C@H](C)OCCSC(C)C e772289ad3fd81c90d7f1ba579959697 [0,3,0,0,0,0|0,0,0]=3 24304 B12R0.95 CCCNC(=O)COCCC(C)C 0106111ffd98343174db62b7bd4737c2 [0,3,0,0,0,0|0,0,1]=4 24305 B12R0.95 CCCOC(=O)COCCC(C)C 704338dc796d61c02b256ccaf9246466 [0,3,0,0,0,0|0,0,1]=4 24306 B12R0.95 CCOCC(C)COCCC(=O)C 8fe70cd8ee2e494711cc574ed901afa5 [0,3,0,0,0,0|0,0,1]=4 24307 B12R0.95 CCOCC(C)COCCC(C)C b9f8c08d1a40dcc79884580f7c7b732f [0,3,0,0,0,0|0,0,0]=3 24308 B12R0.95 CCOCC(C)OCCCC(=O)C a3d6c6d158af8584c2740b675b47f2b7 [0,3,0,0,0,0|0,0,1]=4 24309 B12R0.95 CCOCC(C)OCCCC(C)C 425f8f5eb9159a7af129b3ff253aa33d [0,3,0,0,0,0|0,0,0]=3 24310 B12R0.95 CCOCC(C)OCCCN(C)C c411c015631ab2a29b97239719b612fd [0,3,0,0,0,0|1,0,0]=4 24311 B12R0.95 CCOCC(C)OCCOC(C)C 92c182ae4ccc878d63cd67f152850eaa [0,3,0,0,0,0|1,0,0]=4 24312 B12R0.95 CCOCC(C)OCCSC(C)C 3049a79687b3896565133d174bc2f5b2 [0,3,0,0,0,0|1,0,0]=4 24313 B12R0.95 CCOCC(O)CNCCC(C)C 48daf7cdad9b957f54c6ce1df70202ba [0,3,0,0,0,0|1,0,0]=4 24314 B12R0.95 CCOCC(O)CNCCC(C)O 7d0ab982dce450f9dfef7ad4c34dc381 [0,3,0,0,0,0|1,0,0]=4 24315 B12R0.95 COCCC(C)OCCCC(=O)C 57f29dc2f871327b3efa0ad0652b1077 [0,3,0,0,0,0|0,0,1]=4 24316 B12R0.95 COCCC(C)OCCCC(C)C 0520e9be3c1f3ebc5126e872453d63ab [0,3,0,0,0,0|0,0,0]=3 24317 B12R0.95 COCCC(C)OCCCN(C)C 56d2382420d29d8e2a55c313d77845dc [0,3,0,0,0,0|1,0,0]=4 24318 B12R0.95 COCCC(C)OCCOC(C)C 217a4e77fb0fdc4ebf6d0dfbcc2deca5 [0,3,0,0,0,0|1,0,0]=4 24319 B12R0.95 COCCC(C)OCCSC(C)C 51f3f1f3d595305e39b17b5d437fc05c [0,3,0,0,0,0|1,0,0]=4 24320 B12R0.95 COCO[C@H](C)COCCC(C)C 6256671450b3d108884eedeca00d5ffa [0,3,0,0,0,0|1,0,0]=4 24321 B12R0.95 CSCCC(=O)COCCC(C)C dc1b1a3c2c3e37b0f082196ae87fd8ea [0,3,0,0,0,0|0,0,1]=4 24322 B12R0.95 CSCCC(C)OCCCC(=O)C 7b18f45007119588634ed76c5092dd85 [0,3,0,0,0,0|0,0,1]=4 24323 B12R0.95 CSCCC(C)OCCCC(C)C 7e55d32832fd215d3847550c131aad87 [0,3,0,0,0,0|0,0,0]=3 24324 B12R0.95 CSCCC(C)OCCCN(C)C 5d6378b4d8e3fe31f7b06e034b845945 [0,3,0,0,0,0|1,0,0]=4 24325 B12R0.95 CSCCC(C)OCCOC(C)C 480cf3b351eae0972fdf91880a674b3c [0,3,0,0,0,0|1,0,0]=4 24326 B12R0.95 CSCCC(C)OCCSC(C)C d1aaefe2bcc421620bf061da6ef385af [0,3,0,0,0,0|1,0,0]=4 24327 B12R0.102 C=C(CC)COCC(C)CCCC f7930c1ffdf9f6c888674169aa56932e [0,3,0,0,0,0|0,0,1]=4 24328 B12R0.102 C=CCCC(C)OCCC(C)CC 204c3a712d350362ab48102362a05e25 [0,3,0,0,0,0|0,0,1]=4 24329 B12R0.102 C=CCCC(C)OCCC(S)CC 43ff1fc4a808709f54e045e63fa237d1 [0,3,0,0,0,0|0,0,1]=4 24330 B12R0.102 C=CCCC(C)OCC[C@@H](C)CC 33a840491412eedc5ce04cf7803a3088 [0,3,0,0,0,0|0,0,1]=4 24331 B12R0.102 C=CCC[C@@H](C)OCCC(C)CC ae93d6025573c1fd738f8f4811292ccf [0,3,0,0,0,0|0,0,1]=4 24332 B12R0.102 CCC#CC(C)OCCC(C)CC 4e8d69f8dbcfec7ff3de70f7dd7ad487 [0,3,0,0,0,0|0,0,1]=4 24333 B12R0.102 CCC(C)CCNC(C)CCCO cd7cb0a22b94ca7417cd8ba9e82edbd3 [0,3,0,0,0,0|1,0,0]=4 24334 B12R0.102 CCC(C)CCN[C@H](C)CCCO fef81ae7e7b9b3135d410a5c98783cdc [0,3,0,0,0,0|1,0,0]=4 24335 B12R0.102 CCC(C)CCOC(C)CCC#N 87cbdbeed1506ec478fed205df3b9db3 [0,3,0,0,0,0|0,0,1]=4 24336 B12R0.102 CCC(C)CCOC(C)CCOC ebd0726a24bd08e68307ced1d14f18f0 [0,3,0,0,0,0|0,0,0]=3 24337 B12R0.102 CCC(C)CCOC(C)CCSC 57daf5f1fe1f4954aef11a2c95b1ee31 [0,3,0,0,0,0|0,0,0]=3 24338 B12R0.102 CCC(C)CNC[C@H](C)CCCO 23de4a3966377022cbc6462effa5a0b9 [0,3,0,0,0,0|1,0,0]=4 24339 B12R0.102 CCC(C)COCC(=O)CCSC 5a3ce4035bca6de49f2e8d3c04b098f5 [0,3,0,0,0,0|0,0,1]=4 24340 B12R0.102 CCC(C)COC[C@@H](C)OCOC 4ede418907e3466a70555dd7e2941659 [0,3,0,0,0,0|1,0,0]=4 24341 B12R0.102 CCC(O)CNC[C@H](C)CCCO 44856e9b86227081efafb356cd8f830e [0,3,0,0,0,0|1,0,0]=4 24342 B12R0.102 CCC(S)CCOC(C)CCC#N 1b6a42275c7ff57ff458410f14d5ec1f [0,3,0,0,0,0|0,0,1]=4 24343 B12R0.102 CCCCC(=O)NCCC(C)CC 4f52569bb623d7f775801ee22b5dd215 [0,3,0,0,0,0|1,0,0]=4 24344 B12R0.102 CCCCC(=O)OCOC(C)CC 0457cc5379377c62c69654ef906d7882 [0,3,0,0,0,0|0,0,1]=4 24345 B12R0.102 CCCCC(=O)OCO[C@@H](C)CC 941a8a6f02825443379a92f0d33b4e68 [0,3,0,0,0,0|0,0,1]=4 24346 B12R0.102 CCCCC(=O)OCO[C@H](C)CC fa459134ab25a7d5a1e347714e81ffec [0,3,0,0,0,0|0,0,1]=4 24347 B12R0.102 CCCCC(C)CCOC(C)CC bd1ef429063242b1a769330948f7854f [0,3,0,0,0,0|1,0,0]=4 24348 B12R0.102 CCCCC(C)COCC(=O)CC 31d8617ef75272c2e5a0d4bed09d9a99 [0,3,0,0,0,0|0,0,1]=4 24349 B12R0.102 CCCCC(C)COCC(C)CC 592cc44c24d2893fa45e4e204843ba9b [0,3,0,0,0,0|0,0,0]=3 24350 B12R0.102 CCCCC(C)COCC(C)OC f4d8616aa4d63f3147713557bcb9ccfc [0,3,0,0,0,0|1,0,0]=4 24351 B12R0.102 CCCCC(C)COCC(O)CO e28b0b617ce04e322be02912afa6bd70 [0,3,0,0,0,0|1,0,0]=4 24352 B12R0.102 CCCCC(C)COC[C@@H](C)CC 9c916102c08f60ba590eed2b191062db [0,3,0,0,0,0|0,0,0]=3 24353 B12R0.102 CCCCC(C)COC[C@@H](C)OC 7b6bbcf64af70a2af397dea85cf00f83 [0,3,0,0,0,0|1,0,0]=4 24354 B12R0.102 CCCCC(C)COC[C@@H](O)CO 647562c6530bdb82dee1cb45615eb033 [0,3,0,0,0,0|1,0,0]=4 24355 B12R0.102 CCCCC(C)COC[C@H](C)CC 73ec59d99346eab4e7fe06b5d5607dd0 [0,3,0,0,0,0|0,0,0]=3 24356 B12R0.102 CCCCC(C)COC[C@H](C)OC f213538ce745dc5ab4c646720be56dc8 [0,3,0,0,0,0|1,0,0]=4 24357 B12R0.102 CCCCC(C)COC[C@H](O)CO e2d11b2c6d449f2257264a1a719fe8af [0,3,0,0,0,0|1,0,0]=4 24358 B12R0.102 CCCCC(C)NCCC(C)CC 07bac85f64b9359bdb0c8b7cbdf15376 [0,3,0,0,0,0|1,0,0]=4 24359 B12R0.102 CCCCC(C)NCCC(C)CO 6745c7dcf5737d4741bbf4d8fce338ab [0,3,0,0,0,0|1,0,0]=4 24360 B12R0.102 CCCCC(C)NCCC(O)CO 548530ce3b45acaba88488507f75cb50 [0,3,0,0,0,0|1,0,0]=4 24361 B12R0.102 CCCCC(C)NCCS(=O)CC 01b1dfe9e96dc7cc591f1f1c01828e3d [0,3,0,0,0,0|1,0,0]=4 24362 B12R0.102 CCCCC(C)NCC[C@@H](C)CO fad6d2719d8e0935ad31da911b2331fa [0,3,0,0,0,0|1,0,0]=4 24363 B12R0.102 CCCCC(C)OCCC(=O)NC 3fe4fa15d2ee053af70b7cf94dc25f7a [0,3,0,0,0,0|0,0,1]=4 24364 B12R0.102 CCCCC(C)OCCC(=O)OC b5274cb7add5d513a6c7002a6a8022da [0,3,0,0,0,0|0,0,1]=4 24365 B12R0.102 CCCCC(C)OCCC(C)CC a61d0a1377f7e4c233edb9e02e4f8572 [0,3,0,0,0,0|0,0,0]=3 24366 B12R0.102 CCCCC(C)OCCC(C)OC b0b04a13c895652cbc197523ff110074 [0,3,0,0,0,0|0,0,0]=3 24367 B12R0.102 CCCCC(C)OCCC(S)CC 499fe56e3a856858cdcd9c1402080444 [0,3,0,0,0,0|0,0,0]=3 24368 B12R0.102 CCCCC(C)OCCN(C)C#N 44c2bc8ec1f6f0590f077d743ac43b31 [0,3,0,0,0,0|1,0,0]=4 24369 B12R0.102 CCCCC(C)OCCN(C)C=O a054fcf3c009861be3aa7f1cb554b85f [0,3,0,0,0,0|1,0,0]=4 24370 B12R0.102 CCCCC(C)OCCS(=O)CC c360248a06c84bf3f9ea7b257c15473a [0,3,0,0,0,0|0,0,0]=3 24371 B12R0.102 CCCCC(C)OCC[C@@H](C)CC a3e95d6edccd3f5dbc29e29abf7d8aee [0,3,0,0,0,0|0,0,0]=3 24372 B12R0.102 CCCCC(O)CNCC(C)CC 91a162f56b96e225bb23a5a5230a3e7a [0,3,0,0,0,0|1,0,0]=4 24373 B12R0.102 CCCCC(O)CNCC(O)CC af3318d18c57fe030e3817aaa7d16f75 [0,3,0,0,0,0|1,0,0]=4 24374 B12R0.102 CCCCC(O)CNC[C@@H](C)CC cea2567043e3a811d6c6a9103e739cd9 [0,3,0,0,0,0|1,0,0]=4 24375 B12R0.102 CCCCC(O)CNC[C@H](C)CC a42b8012cb4a7b3292f1a3d981bb6c53 [0,3,0,0,0,0|1,0,0]=4 24376 B12R0.102 CCCCN(C)CCNC(C)CC 5dda54db7cff9b23bee87434a4a4e9ed [0,3,0,0,0,0|1,0,0]=4 24377 B12R0.102 CCCC[C@@H](C)NCCC(C)CC 7faaa1bea19e56154304fe9426a98174 [0,3,0,0,0,0|1,0,0]=4 24378 B12R0.102 CCCC[C@@H](C)NCCC(C)CO e64661932888eaa89e2a5a80c1af70d5 [0,3,0,0,0,0|1,0,0]=4 24379 B12R0.102 CCCC[C@@H](C)NCCS(=O)CC 755ff4bfed13e012ef6c8dd08f890d4c [0,3,0,0,0,0|1,0,0]=4 24380 B12R0.102 CCCC[C@@H](C)OCCC(=O)NC bba5fc07f87730ae60992d6e5f499e84 [0,3,0,0,0,0|0,0,1]=4 24381 B12R0.102 CCCC[C@@H](C)OCCC(=O)OC c4f7ca74bbffe635dcb793df27580662 [0,3,0,0,0,0|0,0,1]=4 24382 B12R0.102 CCCC[C@@H](C)OCCC(C)CC b26e718bcd971548d977b1cb4f5a9638 [0,3,0,0,0,0|0,0,0]=3 24383 B12R0.102 CCCC[C@@H](C)OCCS(=O)CC 7bf166b3ede98df66a374d4d29f265de [0,3,0,0,0,0|0,0,0]=3 24384 B12R0.102 CCCC[C@H](C)OCCC(=O)NC 28d5768d95a43b14891ef9238e09589a [0,3,0,0,0,0|0,0,1]=4 24385 B12R0.102 CCCC[C@H](C)OCCC(=O)OC 3932d84afb402973d80edf75c1687abc [0,3,0,0,0,0|0,0,1]=4 24386 B12R0.102 CCCC[C@H](C)OCCC(C)CC 470f663349389678df0157bed5df6136 [0,3,0,0,0,0|0,0,0]=3 24387 B12R0.102 CCCC[C@H](C)OCCS(=O)CC 5e89ac3ae63212767a41f3d2294e0b9c [0,3,0,0,0,0|0,0,0]=3 24388 B12R0.102 CCCNC(=O)COCC(C)CC 2a1e9bdd100448a42cf961013e371f63 [0,3,0,0,0,0|0,0,1]=4 24389 B12R0.102 CCCNC(=O)COC[C@@H](C)CC 746a0ccbc80b2f03cea15e7437a2ab65 [0,3,0,0,0,0|0,0,1]=4 24390 B12R0.102 CCCNC(=O)COC[C@H](C)CC ed60da0041bc873bcc24c6ff59958c62 [0,3,0,0,0,0|0,0,1]=4 24391 B12R0.102 CCCOC(=O)COCC(C)CC 627027b241f3196bd7925a25b615e010 [0,3,0,0,0,0|0,0,1]=4 24392 B12R0.102 CCCOC(=O)COC[C@@H](C)CC 58c93d1c7873f31ad88efb43266d594b [0,3,0,0,0,0|0,0,1]=4 24393 B12R0.102 CCCOC(=O)COC[C@H](C)CC e36ca0e50b404bc3448d25ae6bb9dc7e [0,3,0,0,0,0|0,0,1]=4 24394 B12R0.102 CCOCC(C)COCC(=O)CC 4d914fe3535da0a9f947c6c13d8636e3 [0,3,0,0,0,0|0,0,1]=4 24395 B12R0.102 CCOCC(C)COCC(C)CC c64461e71dcbbad5e0ab1cbbd70b8b40 [0,3,0,0,0,0|0,0,0]=3 24396 B12R0.102 CCOCC(C)COCC(C)OC 83efd6f65371e25a15fde68c42647940 [0,3,0,0,0,0|1,0,0]=4 24397 B12R0.102 CCOCC(C)COC[C@@H](C)CC 91e2de0c6418c1e61f2bc4970d2996fa [0,3,0,0,0,0|0,0,0]=3 24398 B12R0.102 CCOCC(C)COC[C@@H](C)OC f4d73e5ad6e3e1f9dedb49356d30dc9f [0,3,0,0,0,0|1,0,0]=4 24399 B12R0.102 CCOCC(C)COC[C@H](C)CC 9e1a85b02ec6951da67a774bab566573 [0,3,0,0,0,0|0,0,0]=3 24400 B12R0.102 CCOCC(C)COC[C@H](C)OC c3af6b048fe91940697a833a285c8d29 [0,3,0,0,0,0|1,0,0]=4 24401 B12R0.102 CCOCC(C)OCCC(C)CC d2888ae88d7d031d9018f7c0d18bd547 [0,3,0,0,0,0|0,0,0]=3 24402 B12R0.102 CCOCC(C)OCCS(=O)CC 10661ea298f275f09d94929afeb3351c [0,3,0,0,0,0|1,0,0]=4 24403 B12R0.102 CCOCC(O)CNCC(C)CC 1e4bd72081e4e1104121159c7eae1151 [0,3,0,0,0,0|1,0,0]=4 24404 B12R0.102 CCOCC(O)CNCC(O)CC f577b155d74bec38bc9a20e18716a63e [0,3,0,0,0,0|1,0,0]=4 24405 B12R0.102 CCOCC(O)CNC[C@@H](C)CC 0643c4e6d77448562a21ce2c8d68a19b [0,3,0,0,0,0|1,0,0]=4 24406 B12R0.102 CCOCC(O)CNC[C@H](C)CC 40b8d42c5a3b694132323c29c278044a [0,3,0,0,0,0|1,0,0]=4 24407 B12R0.102 CCS(=O)CCOC(C)CCOC 6de6f79bc2394fb3162f007848ab275c [0,3,0,0,0,0|1,0,0]=4 24408 B12R0.102 CC[C@@H](C)CNC[C@H](C)CCCO 60661954b2de49e5bdd9093daa67ef3e [0,3,0,0,0,0|1,0,0]=4 24409 B12R0.102 CC[C@@H](C)COCC(=O)CCSC 7069f155f551688645d4d196cb61ed0a [0,3,0,0,0,0|0,0,1]=4 24410 B12R0.102 CC[C@@H](C)COC[C@@H](C)OCOC 797ceed886d58a92619e4a6a38f2e547 [0,3,0,0,0,0|1,0,0]=4 24411 B12R0.102 CC[C@H](C)CCOC(C)CCC#N dd955a6f3823a47acc69a4bb919d2a33 [0,3,0,0,0,0|0,0,1]=4 24412 B12R0.102 CC[C@H](C)CNC[C@H](C)CCCO 0bd24539838aeef4a3e44c89e34e35e5 [0,3,0,0,0,0|1,0,0]=4 24413 B12R0.102 CC[C@H](C)COCC(=O)CCSC 161be4a5926f8dd849ae20c01661d418 [0,3,0,0,0,0|0,0,1]=4 24414 B12R0.102 CC[C@H](C)COC[C@@H](C)OCOC fa1daafbe2b009f78843e3d75cfbd709 [0,3,0,0,0,0|1,0,0]=4 24415 B12R0.111 C#CC(CCCC)OC/C=C/CC d07edc734289b1604247138973205f65 [0,3,0,0,0,0|0,0,1]=4 24416 B12R0.111 C#CC(CCCC)OCCCC#N 709a44f91cf55e65048f15f073955cb9 [0,3,0,0,0,0|0,0,1]=4 24417 B12R0.111 C#CC(CCCC)OCCCC=C ec795b1de38250e5ce2362d0edb2fb04 [0,3,0,0,0,0|0,0,1]=4 24418 B12R0.111 C#CC(CCCC)OCCCC=O 7236f61a8cc6a0b524f06af600d26b84 [0,3,0,0,0,0|0,0,1]=4 24419 B12R0.111 C#CC(CCCC)OCCCCC ed39780bbf11aab37cab4ea2bc3ecfc4 [0,3,0,0,0,0|0,0,0]=3 24420 B12R0.111 C#CC(CCCC)OCCCCF fdea42df0ba182445feeccea8b97aac0 [0,3,0,0,0,0|0,0,0]=3 24421 B12R0.111 C#CC(CCCC)OCCCOC 0bba7733a17d9c0e4b59d721c40ef345 [0,3,0,0,0,0|0,0,0]=3 24422 B12R0.111 C#CC(CCCC)OCCCSC 7b38c9b25e7f6d7645a3f4e794b0f2c0 [0,3,0,0,0,0|0,0,0]=3 24423 B12R0.111 C#CC(CCCC)OCCOCC 9eb689fb9aecf8bb8325360d7aaf4ccb [0,3,0,0,0,0|0,0,0]=3 24424 B12R0.111 C#CC(CCCC)OCCSCC 9b065a2466749ab7f3eb3f49945cd2df [0,3,0,0,0,0|0,0,0]=3 24425 B12R0.111 C#CCCCOC(C#C)CCCC a2b4489c5bd692189e687e8d8a1c0fb8 [0,3,0,0,0,0|0,0,1]=4 24426 B12R0.111 C#CCCCOC(C=C)CCCC ca909bbc7ba3379ff45ced11231ca7ca [0,3,0,0,0,0|0,0,1]=4 24427 B12R0.111 C#CCCCOC(CC)CCCC ce68201735ad1178b9c1393c79e7928c [0,3,0,0,0,0|0,0,1]=4 24428 B12R0.111 C/C=C/CCOC(CC)CCCC 3fe05b068f4333a7583fd3dfbd36f72a [0,3,0,0,0,0|0,0,1]=4 24429 B12R0.111 C=CC(CCCC)OC/C=C/CC bc1eb305d8dce8cd68d3a6bd3c60a4f4 [0,3,0,0,0,0|0,0,1]=4 24430 B12R0.111 C=CC(CCCC)OCC#CCC d308869e53366eedad0984139a647f7d [0,3,0,0,0,0|0,0,1]=4 24431 B12R0.111 C=CC(CCCC)OCCCC#N d3db9d13fac8e901ede490692b64bd4c [0,3,0,0,0,0|0,0,1]=4 24432 B12R0.111 C=CC(CCCC)OCCCC=O 31cd91d7344d99649c98d155974e5679 [0,3,0,0,0,0|0,0,1]=4 24433 B12R0.111 C=CC(CCCC)OCCCCC 37e3d4d2cc0a06a2ae9e5ed1a5738073 [0,3,0,0,0,0|0,0,0]=3 24434 B12R0.111 C=CC(CCCC)OCCCCF cb9b58431d44f3f53948303fc5f9d058 [0,3,0,0,0,0|0,0,0]=3 24435 B12R0.111 C=CC(CCCC)OCCCOC 4f2f3b6f178b1d15f6f9559e0cc5fd30 [0,3,0,0,0,0|0,0,0]=3 24436 B12R0.111 C=CC(CCCC)OCCCSC 065e978b3a59d4a753491ecba3866c59 [0,3,0,0,0,0|0,0,0]=3 24437 B12R0.111 C=CC(CCCC)OCCOCC ffc55e6ccd76b44d4a4aafd096f1c4ff [0,3,0,0,0,0|0,0,0]=3 24438 B12R0.111 C=CC(CCCC)OCCSCC daa766d80d3ae12956d055ee9364d9b6 [0,3,0,0,0,0|0,0,0]=3 24439 B12R0.111 C=CC(CCCCCC)OCCC 611eeb5b78bb4f9da38a90e0b40e8517 [0,3,0,0,0,0|1,0,0]=4 24440 B12R0.111 C=CCCCOC(C=C)CCCC 9cf7b382719042476d096046d3b20f9f [0,3,0,0,0,0|0,0,1]=4 24441 B12R0.111 C=CCCCOC(CC)CCCC 945e05e878e008a3ee2e99d54d244942 [0,3,0,0,0,0|0,0,1]=4 24442 B12R0.111 CC#CCC(CC)OCCCCC a1ed7701c09e1c7018e01bd1077fff2e [0,3,0,0,0,0|0,0,1]=4 24443 B12R0.111 CC#CCCOC(CC)CCCC a3fe7417a4c76613a270c9e8d358dd2f [0,3,0,0,0,0|0,0,1]=4 24444 B12R0.111 CC/C=C/COC(CC)CCCC 71aee288774e884d7d912ceef13ff87a [0,3,0,0,0,0|0,0,1]=4 24445 B12R0.111 CC/C=C\COC(CC)CCCC c7a2fdd9b0245abb5ee77c31ce869f85 [0,3,0,0,0,0|0,0,1]=4 24446 B12R0.111 CCC#CCOC(CC)CCCC 11d6f6866e2a84fdcd2e9ebe5ea47bef [0,3,0,0,0,0|0,0,1]=4 24447 B12R0.111 CCC/C=C(\CC)/COCCCC 78005f27323d1bf764cb25980466dc34 [0,3,0,0,0,0|0,0,1]=4 24448 B12R0.111 CCCCC(CC)CCCOCC 5d6ba0ee69d211dc07ea857b8b7e9af8 [0,3,0,0,0,0|1,0,0]=4 24449 B12R0.111 CCCCC(CC)CCOCCC e790e9c477a64abf20487338dd31c083 [0,3,0,0,0,0|1,0,0]=4 24450 B12R0.111 CCCCC(CC)COCCCF f1966678ea48bb5ee09b818695fd4695 [0,3,0,0,0,0|1,0,0]=4 24451 B12R0.111 CCCCC(CC)COCCCS dd5cf66eecaeb39b43b83a8f3de3bc62 [0,3,0,0,0,0|1,0,0]=4 24452 B12R0.111 CCCCC(CC)COCCOC 506da7276a5f74cfe1c1fd851db98411 [0,3,0,0,0,0|1,0,0]=4 24453 B12R0.111 CCCCC(CC)COCCSC ee769240818696ec0165ff9bd2641f36 [0,3,0,0,0,0|1,0,0]=4 24454 B12R0.111 CCCCC(CC)COCOCC ac2afd2158437516bb5e28d8c8434597 [0,3,0,0,0,0|1,0,0]=4 24455 B12R0.111 CCCCC(CC)NCCCCCl 9b394b537f9d3b56eb50087d0b90f8c4 [0,3,0,0,0,0|1,0,0]=4 24456 B12R0.111 CCCCC(CC)NCCCCO 9af258b13a122b7dcacef561d6da235f [0,3,0,0,0,0|1,0,0]=4 24457 B12R0.111 CCCCC(CC)NCCCCS a599f0b83458477c18cd03ad401a9426 [0,3,0,0,0,0|1,0,0]=4 24458 B12R0.111 CCCCC(CC)NCCCOC 253ff7221b8b83eeb825b0b7ca9186a8 [0,3,0,0,0,0|1,0,0]=4 24459 B12R0.111 CCCCC(CC)NCCCSC ad193a62029b150779d09945502e9fb9 [0,3,0,0,0,0|1,0,0]=4 24460 B12R0.111 CCCCC(CC)NCCOCC 32f6f366d375f0f3da6802606de24bf6 [0,3,0,0,0,0|1,0,0]=4 24461 B12R0.111 CCCCC(CC)NCCSCC b2c5d914517e892a7cf1a9235b965962 [0,3,0,0,0,0|1,0,0]=4 24462 B12R0.111 CCCCC(CC)OCCCC#N a728b13ae312a0eee9ef40202938eb7d [0,3,0,0,0,0|0,0,1]=4 24463 B12R0.111 CCCCC(CC)OCCCC=O 55524889e553e73f7ee467101e072247 [0,3,0,0,0,0|0,0,1]=4 24464 B12R0.111 CCCCC(CC)OCCCCF 7f47498fd894aef0ca28cd7e8d97b8de [0,3,0,0,0,0|0,0,0]=3 24465 B12R0.111 CCCCC(CC)OCCCCS e5324d4f247ecc91fa4acbc90d934058 [0,3,0,0,0,0|0,0,0]=3 24466 B12R0.111 CCCCC(CC)OCCCOC 171d753a25d346f0c01841a7768baa52 [0,3,0,0,0,0|0,0,0]=3 24467 B12R0.111 CCCCC(CC)OCCCSC e87bd5778e884571fbd97f6e3db6be19 [0,3,0,0,0,0|0,0,0]=3 24468 B12R0.111 CCCCC(CC)OCCOCC f3f509ebc16d807f2f0d0d64e4af2b9c [0,3,0,0,0,0|0,0,0]=3 24469 B12R0.111 CCCCC(CC)OCCSCC e7af5dc5d152ebdd7fbd5a94bdbf40e1 [0,3,0,0,0,0|0,0,0]=3 24470 B12R0.111 CCCCC(CO)NCCCCCl 9f4fbd30a7ec64841ff4dd6d1d968941 [0,3,0,0,0,0|1,0,0]=4 24471 B12R0.111 CCCCC(CO)NCCCCF 0dcc75f97d2025b51ff61d49391d10a8 [0,3,0,0,0,0|1,0,0]=4 24472 B12R0.111 CCCCC(CO)NCCCCO 8396746faa1b8ea0319cd875392d1e07 [0,3,0,0,0,0|1,0,0]=4 24473 B12R0.111 CCCCC(CO)NCCCCS 43af60c8cc488d753334675c696a4a41 [0,3,0,0,0,0|1,0,0]=4 24474 B12R0.111 CCCCC(CO)NCCCOC b7628e2e27820bc726a7e3d6b11d8b73 [0,3,0,0,0,0|1,0,0]=4 24475 B12R0.111 CCCCC(CO)NCCCSC 1cf7689c3804c0742752a8729ecc60f4 [0,3,0,0,0,0|1,0,0]=4 24476 B12R0.111 CCCCC(CO)NCCOCC 3938a4cf33d3c9be8a2af69a212d77c5 [0,3,0,0,0,0|1,0,0]=4 24477 B12R0.111 CCCCC(CO)NCCSCC 0fa8d4e67ff5b569de927bd73d1107ed [0,3,0,0,0,0|1,0,0]=4 24478 B12R0.111 CCCCCCC(CC)COCC 54904c44514ce0e4812ce6a4124ae3bc [0,3,0,0,0,0|1,0,0]=4 24479 B12R0.111 CCCCCCC(CC)OCCC e625bc7a43e183a77f628967ba9888bf [0,3,0,0,0,0|1,0,0]=4 24480 B12R0.111 CCCCCCN(C=O)CCCC a9de1010a63ea7527524d261ee197eb3 [0,3,0,0,0,0|1,0,0]=4 24481 B12R0.111 CCCCCCN(CC)CCCC d78fa71a7697b6945a4471510d9f124d [0,3,0,0,0,0|1,0,0]=4 24482 B12R0.111 CCCCCCN(CF)CCCC 6e373b595977bea99a55212a89a2e95e [0,3,0,0,0,0|1,0,0]=4 24483 B12R0.111 CCCCCCN(CO)CCCC d43b98c51ef0f99abf04518da1b95bc9 [0,3,0,0,0,0|1,0,0]=4 24484 B12R0.111 CCCCCNC(CC)CCCC c176e1c4b489c3abdd355e6efbdab458 [0,3,0,0,0,0|1,0,0]=4 24485 B12R0.111 CCCCCNC(CO)CCCC 268a2d6d72dee70cde1b88a55fb1f59d [0,3,0,0,0,0|1,0,0]=4 24486 B12R0.111 CCCCCNC(CO)CCCO c976ce6575f2cf309abd1a13f68d8f55 [0,3,0,0,0,0|1,0,0]=4 24487 B12R0.111 CCCCCNC(CO)CCSC d7947ad754803ecf7d4c10b6513f682c [0,3,0,0,0,0|1,0,0]=4 24488 B12R0.111 CCCCCN[C@@H](CO)CCCC ee39027268fc81c205e240da92648f56 [0,3,0,0,0,0|1,0,0]=4 24489 B12R0.111 CCCCCN[C@@H](CO)CCSC e38bf9ea93f54aaf2f0271f3212db17f [0,3,0,0,0,0|1,0,0]=4 24490 B12R0.111 CCCCCN[C@H](CO)CCCC 39a6716b6a9f913aff0c8792b27ec3d9 [0,3,0,0,0,0|1,0,0]=4 24491 B12R0.111 CCCCCN[C@H](CO)CCSC 09017d21ee649436677cc384548b30d4 [0,3,0,0,0,0|1,0,0]=4 24492 B12R0.111 CCCCCOC(CC)CCCC 175b403322b8667096c8439555919a63 [0,3,0,0,0,0|0,0,0]=3 24493 B12R0.111 CCCCN(CC)CCCCCF 119bd15c43734c347b3119e4861ae232 [0,3,0,0,0,0|1,0,0]=4 24494 B12R0.111 CCCCN(CC)CCCCCO be2cae117fbd93bd9e126511f464f229 [0,3,0,0,0,0|1,0,0]=4 24495 B12R0.111 CCCCN(CC)CCCCOC bbab95b5ef330766595a7db69e28acd5 [0,3,0,0,0,0|1,0,0]=4 24496 B12R0.111 CCCCN(CC)CCCOCC e6dd98cbc29de6916b086692a772c40e [0,3,0,0,0,0|1,0,0]=4 24497 B12R0.111 CCCCN(CC)CCCSCC ee30d1335abec325a3d74dac2ca2c935 [0,3,0,0,0,0|1,0,0]=4 24498 B12R0.111 CCCCN(CC)CCNCCC 90a35fc48bab860f185df5b83dd67f00 [0,3,0,0,0,0|1,0,0]=4 24499 B12R0.111 CCCCN(CC)CCOCCC e683df7dacffa6a10a35751e4d3ad79c [0,3,0,0,0,0|1,0,0]=4 24500 B12R0.111 CCCCN(CC)COCCOC e44c4705488cd9e11ee93d6dc2e4a679 [0,3,0,0,0,0|1,0,0]=4 24501 B12R0.111 CCCCNCC(CC)CCCC 470cac64503e43be2272fbc5e54ae1e2 [0,3,0,0,0,0|1,0,0]=4 24502 B12R0.111 CCCCNCC(CO)CCSC 601439346e76664b3b38604a5fcb0f8e [0,3,0,0,0,0|1,0,0]=4 24503 B12R0.111 CCCCNC[C@H](CC)CCCC e9b29f1811dc55352478e5182ed143c3 [0,3,0,0,0,0|1,0,0]=4 24504 B12R0.111 CCCCOCC(CC)CCCC b69a33258e139c6071cff5cc6e687a4e [0,3,0,0,0,0|0,0,0]=3 24505 B12R0.111 CCCCOCN(CC)CCCC b01cc7bc39660461a775800683f6cc7f [0,3,0,0,0,0|0,0,0]=3 24506 B12R0.111 CCCCOCN(CC)CCCO 049a0c8d1b553f0d5d406cb950e8328e [0,3,0,0,0,0|1,0,0]=4 24507 B12R0.111 CCCCOCN(CC)CCOC 97d8127fae7890319b1207a832cbb2db [0,3,0,0,0,0|1,0,0]=4 24508 B12R0.111 CCCCOC[C@H](CC)CCCC a8162c02d3144870357c6268bc3a9267 [0,3,0,0,0,0|0,0,0]=3 24509 B12R0.111 CCCC[C@@H](CC)COCCCF dc312a3684c5eee0b6b86a6902f71bfd [0,3,0,0,0,0|1,0,0]=4 24510 B12R0.111 CCCC[C@@H](CC)COCCCS c09dc543cc4d626d13635aba36d5e7da [0,3,0,0,0,0|1,0,0]=4 24511 B12R0.111 CCCC[C@@H](CC)COCCOC 99b60d679c413b4656fd16ea5b12b758 [0,3,0,0,0,0|1,0,0]=4 24512 B12R0.111 CCCC[C@@H](CC)COCCSC c49c33968f29c354c3700db91fc16f7c [0,3,0,0,0,0|1,0,0]=4 24513 B12R0.111 CCCC[C@@H](CO)NCCCCF 9518198da4cc2f333a9237505eee1874 [0,3,0,0,0,0|1,0,0]=4 24514 B12R0.111 CCCC[C@@H](CO)NCCCCO c4f9f7de90c30e2f978cb4b7498680d3 [0,3,0,0,0,0|1,0,0]=4 24515 B12R0.111 CCCC[C@@H](CO)NCCCOC e1757b288acc081a6dbd3e100bf99191 [0,3,0,0,0,0|1,0,0]=4 24516 B12R0.111 CCCC[C@@H](CO)NCCCSC 953e3cc01813825581d435034bdf8913 [0,3,0,0,0,0|1,0,0]=4 24517 B12R0.111 CCCC[C@@H](CO)NCCOCC 6a834fcc015b52bf7b8a82b5f4eb4cd0 [0,3,0,0,0,0|1,0,0]=4 24518 B12R0.111 CCCC[C@@H](CO)NCCSCC a56d2ef5aafa8453a13850bf1707ea37 [0,3,0,0,0,0|1,0,0]=4 24519 B12R0.111 CCCC[C@H](CO)NCCCCF 89c92b71adc51e007a3c9886fb7cbfea [0,3,0,0,0,0|1,0,0]=4 24520 B12R0.111 CCCC[C@H](CO)NCCCCO f86d94e24d952f3cfbe8e336d7cdb6a3 [0,3,0,0,0,0|1,0,0]=4 24521 B12R0.111 CCCC[C@H](CO)NCCCOC f0ddfd87091794cc5aa0f40b1f6b679b [0,3,0,0,0,0|1,0,0]=4 24522 B12R0.111 CCCC[C@H](CO)NCCCSC b806c0045f39bb3f47edb49af49f0cbb [0,3,0,0,0,0|1,0,0]=4 24523 B12R0.111 CCCC[C@H](CO)NCCOCC 856a4860e8d455fc1efbe4be58810b94 [0,3,0,0,0,0|1,0,0]=4 24524 B12R0.111 CCCC[C@H](CO)NCCSCC 110ddcf598a74c07d49d5fed91916629 [0,3,0,0,0,0|1,0,0]=4 24525 B12R0.255 C#CCCCOC(C)CCC(C)C 48451c0b90593fb8be30a75663ec38c3 [0,3,0,0,0,0|0,0,1]=4 24526 B12R0.255 C/C=C/CCOC(C)CCC(C)C 584ebfcefb6382bc775ded1eb48b46fa [0,3,0,0,0,0|0,0,1]=4 24527 B12R0.255 C=C(C)COC(C)COCCCC 243925e246f7ac26c4689e0c4ab45ad4 [0,3,0,0,0,0|0,0,1]=4 24528 B12R0.255 C=CCCCOC(C)CCC(C)C 6af633b9929ab3c7a7471a692a15b2ee [0,3,0,0,0,0|0,0,1]=4 24529 B12R0.255 CC#CCCOC(C)CCC(C)C 5758f9e5402a1537c271a503787d2b0f [0,3,0,0,0,0|0,0,1]=4 24530 B12R0.255 CC(C)CCC(C)COCCCF 5b8376e0784c0ebb9605fa52a7ef1330 [0,3,0,0,0,0|1,0,0]=4 24531 B12R0.255 CC(C)CCC(C)COCCCS e41c68f68229b5508e1398c3a010121d [0,3,0,0,0,0|1,0,0]=4 24532 B12R0.255 CC(C)CCC(C)NCCCCCl 3d8b7b83905cdbd1f34ede2932e979d8 [0,3,0,0,0,0|1,0,0]=4 24533 B12R0.255 CC(C)CCC(C)NCCCCF bf3c22fd7f9cd5eccafce7048d68c34d [0,3,0,0,0,0|1,0,0]=4 24534 B12R0.255 CC(C)CCC(C)NCCCCO 8fdfc809974c5f67fa849e55d6ada581 [0,3,0,0,0,0|1,0,0]=4 24535 B12R0.255 CC(C)CCC(C)NCCCCS dfedc58908cfb234621c8b53ec57c8df [0,3,0,0,0,0|1,0,0]=4 24536 B12R0.255 CC(C)CCC(C)OCCCC#N 1e629e88a9bc9126d13401992658af22 [0,3,0,0,0,0|0,0,1]=4 24537 B12R0.255 CC(C)CCC(C)OCCCC=O 27b653c6a0a2791d619cba57acba3bce [0,3,0,0,0,0|0,0,1]=4 24538 B12R0.255 CC(C)CCC(C)OCCCCF aa4ca4f9e0df178817e86b853f00978d [0,3,0,0,0,0|0,0,0]=3 24539 B12R0.255 CC(C)CCC(C)OCCCCS 8e5ea39ebfd7a22aeb21f7bf3fd39d8e [0,3,0,0,0,0|0,0,0]=3 24540 B12R0.255 CC(C)CCN(C)CCCCCF 90ee67c511180808a276f58ea9e8b31e [0,3,0,0,0,0|1,0,0]=4 24541 B12R0.255 CC(C)CCN(C)CCCCCO 43404cf0ed4ac15d1e7aa30cef56806e [0,3,0,0,0,0|1,0,0]=4 24542 B12R0.255 CC(C)OCC(C)OCCCCF b745dbae1e52347b63a9c50c6c74ebe0 [0,3,0,0,0,0|1,0,0]=4 24543 B12R0.255 CC(C)OC[C@H](C)OCCCCF 9dcf91511fdea857ebf7aad5e7136c87 [0,3,0,0,0,0|1,0,0]=4 24544 B12R0.255 CC(CCN(C)C)OCCCCF a9114bd62f5cb1a8640cc32eb0392d5f [0,3,0,0,0,0|1,0,0]=4 24545 B12R0.255 CC(O)CCN(C)CCCCCF 4099a451260f55897df17f442373f516 [0,3,0,0,0,0|1,0,0]=4 24546 B12R0.255 CC(O)CCN(C)CCCCCO 611d46693b8fc2ce7373f4cf6870033f [0,3,0,0,0,0|1,0,0]=4 24547 B12R0.255 CC/C=C/COC(C)CCC(C)C 59b5aa462fb709eec995d161d948e362 [0,3,0,0,0,0|0,0,1]=4 24548 B12R0.255 CC/C=C\COC(C)CCC(C)C ed54436a3dd76b8bccb75bf67357d0fc [0,3,0,0,0,0|0,0,1]=4 24549 B12R0.255 CCC#CCOC(C)CCC(C)C 63ac65c07667e830eb29030206626889 [0,3,0,0,0,0|0,0,1]=4 24550 B12R0.255 CCCCCCC(C)COC(C)C 55952ff2228551087ed8539a221cc10d [0,3,0,0,0,0|1,0,0]=4 24551 B12R0.255 CCCCCCC(C)NCC(C)C 3609e67bdd27f48165d0cefe437ea9fd [0,3,0,0,0,0|1,0,0]=4 24552 B12R0.255 CCCCCCC(C)NCC(C)O 347a56c31b7437f5b3e3dea7c4723f43 [0,3,0,0,0,0|1,0,0]=4 24553 B12R0.255 CCCCCCC(C)NC[C@@H](C)O 867d126176d13fce29b806aa2e8abdc5 [0,3,0,0,0,0|1,0,0]=4 24554 B12R0.255 CCCCCCC(C)NC[C@H](C)O 1847295b6f7a678418149b280061eb72 [0,3,0,0,0,0|1,0,0]=4 24555 B12R0.255 CCCCCCC(C)OCC(C)C 062e8906e37f4fc31be1bc88d316b827 [0,3,0,0,0,0|1,0,0]=4 24556 B12R0.255 CCCCCCC(C)OCC(C)F d391120109c2367f3ceec481707f15df [0,3,0,0,0,0|1,0,0]=4 24557 B12R0.255 CCCCCCC(C)OCC(C)S 6c97fc2cc44484748451ede52a2c28d0 [0,3,0,0,0,0|1,0,0]=4 24558 B12R0.255 CCCCCCC(C)OC[C@@H](C)F 3b1450489f5f658ea00d4702aa7628d3 [0,3,0,0,0,0|1,0,0]=4 24559 B12R0.255 CCCCCCC(C)OC[C@H](C)F 1a1e8cfd451f44837514f29cba434253 [0,3,0,0,0,0|1,0,0]=4 24560 B12R0.255 CCCCCCN(C)CCC(C)C 271d0ff72082fb8d7ba2ffc61fb44a48 [0,3,0,0,0,0|1,0,0]=4 24561 B12R0.255 CCCCCCN(C)CCC(C)O 0d9933581c2a7ffc5c33050c61f3a297 [0,3,0,0,0,0|1,0,0]=4 24562 B12R0.255 CCCCCC[C@@H](C)NCC(C)C bbca764bbedfe97cde188b6be3861486 [0,3,0,0,0,0|1,0,0]=4 24563 B12R0.255 CCCCCC[C@@H](C)NCC(C)O 8257cca5945f28715814c07712bb7a60 [0,3,0,0,0,0|1,0,0]=4 24564 B12R0.255 CCCCCC[C@@H](C)NC[C@@H](C)O efb919a1e9cf05edefbc65a84f410a09 [0,3,0,0,0,0|1,0,0]=4 24565 B12R0.255 CCCCCC[C@@H](C)NC[C@H](C)O 4b471bf22338ae86de450474855b7a7f [0,3,0,0,0,0|1,0,0]=4 24566 B12R0.255 CCCCCC[C@@H](C)OCC(C)C c161a01d216343b11cd2c57ee40f2d8b [0,3,0,0,0,0|1,0,0]=4 24567 B12R0.255 CCCCCC[C@H](C)NCC(C)C 953d9c59acb6fc7e1012883ad6550b6d [0,3,0,0,0,0|1,0,0]=4 24568 B12R0.255 CCCCCC[C@H](C)NCC(C)O d6a6009f69d44dbc296587ae911a3cd3 [0,3,0,0,0,0|1,0,0]=4 24569 B12R0.255 CCCCCC[C@H](C)NC[C@@H](C)O 19167f9af1dc89d804c356a4292943f2 [0,3,0,0,0,0|1,0,0]=4 24570 B12R0.255 CCCCCC[C@H](C)NC[C@H](C)O 86348e1d874cecd59980df94092878ef [0,3,0,0,0,0|1,0,0]=4 24571 B12R0.255 CCCCCC[C@H](C)OCC(C)C 873412fe9c3683d71d9163071cdfaa3c [0,3,0,0,0,0|1,0,0]=4 24572 B12R0.255 CCCCCNC(=O)CCC(C)C 4509dfaa9996ad412b21022ad1197a9e [0,3,0,0,0,0|1,0,0]=4 24573 B12R0.255 CCCCCNC(=O)CCC(C)O 9ae4d2e8fa18dd30b74dc56d421339a8 [0,3,0,0,0,0|1,0,0]=4 24574 B12R0.255 CCCCCNC(=O)CCC(C)S 8fcca9b47bf869f2b2b12ba6d6ba9a1a [0,3,0,0,0,0|1,0,0]=4 24575 B12R0.255 CCCCCNC(=O)CC[C@H](C)S 32f20faa1501cb075be47f0761d88337 [0,3,0,0,0,0|1,0,0]=4 24576 B12R0.255 CCCCCNC(C)CCC(C)C abb6188abf30fc4f0af96c8addc33d3c [0,3,0,0,0,0|1,0,0]=4 24577 B12R0.255 CCCCCNC(C)CCN(C)C 41dd1d3913b4f98baa692cb6d994e3b7 [0,3,0,0,0,0|1,0,0]=4 24578 B12R0.255 CCCCCN[C@@H](C)CCN(C)C 5455d98c556e961eacf28ee09ccd7f5d [0,3,0,0,0,0|1,0,0]=4 24579 B12R0.255 CCCCCN[C@H](C)CCN(C)C 0ea6ebeb50ca2e088b7174e9a1b3bead [0,3,0,0,0,0|1,0,0]=4 24580 B12R0.255 CCCCCOC(C)CCC(=O)O 77363f5fe2bc3f8f43385acd048d6314 [0,3,0,0,0,0|0,0,1]=4 24581 B12R0.255 CCCCCOC(C)CCC(C)C f3083416dbfd4c775573ce6ee5eba6d4 [0,3,0,0,0,0|0,0,0]=3 24582 B12R0.255 CCCCCOC(C)CCN(C)C 9bff8374c42b4ab864945a82b348d51b [0,3,0,0,0,0|0,0,0]=3 24583 B12R0.255 CCCCCOC(C)CNC(=O)C 2ab79a33750e91dd225f762e007ee92e [0,3,0,0,0,0|0,0,1]=4 24584 B12R0.255 CCCCCOC(C)COC(=O)C 89e756b8d3c8084f728892c0ab746911 [0,3,0,0,0,0|0,0,1]=4 24585 B12R0.255 CCCCCOC(C)COC(C)C b6e991577221aef15bb5c63a08cdd279 [0,3,0,0,0,0|0,0,0]=3 24586 B12R0.255 CCCCCO[C@@H](C)COC(C)C ae1e1540c460ed255a67891ea2702383 [0,3,0,0,0,0|0,0,0]=3 24587 B12R0.255 CCCCNCC(C)CCC(C)C 144c51f40fddd0241ede0a58a41e34bf [0,3,0,0,0,0|1,0,0]=4 24588 B12R0.255 CCCCNCC(O)COC(C)C accb91b10415fa6c8bce6520b12f0030 [0,3,0,0,0,0|1,0,0]=4 24589 B12R0.255 CCCCOCC(=O)NCC(C)C 188bb7d9fce98ecc105acfa0d846202b [0,3,0,0,0,0|0,0,1]=4 24590 B12R0.255 CCCCOCC(=O)NCC(C)O 10db8463f7dda08f13f3bf23d0fd905c [0,3,0,0,0,0|0,0,1]=4 24591 B12R0.255 CCCCOCC(=O)NC[C@@H](C)O 6da09ed3f23f277cddc4dcabb43e1550 [0,3,0,0,0,0|0,0,1]=4 24592 B12R0.255 CCCCOCC(=O)NC[C@H](C)O 4b5f37c86f3d617dbe0c1476a1a6b487 [0,3,0,0,0,0|0,0,1]=4 24593 B12R0.255 CCCCOCC(C)CCC(C)C 7a8054f5a2143741e0d0be0fa3d6b059 [0,3,0,0,0,0|0,0,0]=3 24594 B12R0.255 CCCCOCC(C)COC(=O)C 249bfaed0f9206afe745f3ce0efc58a8 [0,3,0,0,0,0|0,0,1]=4 24595 B12R0.255 CCCCOCC(C)OCC(C)C bd0091eb0f15fcbd99f46cfd5802584e [0,3,0,0,0,0|0,0,0]=3 24596 B12R0.255 CCCCOCC(C)OCC(F)F 39acd87faddda5347cf6bbf7d95815b2 [0,3,0,0,0,0|1,0,0]=4 24597 B12R0.255 CCCCOCC(C)OCN(C)C 3f818ae2b78d8c1fdda2e592f6eefd0e [0,3,0,0,0,0|1,0,0]=4 24598 B12R0.255 CCCCOCN(C)CCC(C)C 4f89dcbda247bbd0a9524bca663e7ca5 [0,3,0,0,0,0|0,0,0]=3 24599 B12R0.255 CCCCOCN(C)CCC(C)O 8c3132ade59e4b324a4d287a73a41f66 [0,3,0,0,0,0|0,0,0]=3 24600 B12R0.255 CCCCOCN(C)CCC(F)F ea1e9d435a1809beda9fdfc8fe249187 [0,3,0,0,0,0|1,0,0]=4 24601 B12R0.255 CCCCOCN(C)CCN(C)C 070c38abe8311cf9cbccec8e50334ff3 [0,3,0,0,0,0|1,0,0]=4 24602 B12R0.255 CCCCOC[C@@H](C)COC(=O)C 009cb6250b97e41369ee33e09f892490 [0,3,0,0,0,0|0,0,1]=4 24603 B12R0.255 CCCOCCN(C)CCC(C)C e4341f1fa39d890cf03a0e2777b2ab16 [0,3,0,0,0,0|1,0,0]=4 24604 B12R0.255 CCCOCCN(C)CCC(C)O cabeab4bcacf3fddbe78747573f5a02a [0,3,0,0,0,0|1,0,0]=4 24605 B12R0.255 CCOCCCN(C)CCC(C)C 1d5a604004d90531e7d64caf0574292f [0,3,0,0,0,0|1,0,0]=4 24606 B12R0.255 CCOCCCN(C)CCC(C)O 8e406aae461649c431eea658a7158a69 [0,3,0,0,0,0|1,0,0]=4 24607 B12R0.255 CCOCCNC(C)CCC(C)C e0d5afa03fffb62a50e4be3dd27ddb3f [0,3,0,0,0,0|1,0,0]=4 24608 B12R0.255 CCOCCOC(C)CCC(C)C 98d4adb87db1ecec036a39099baaa346 [0,3,0,0,0,0|0,0,0]=3 24609 B12R0.255 CCOCCOC(C)CCN(C)C 3c8e3bf5d42b2d0dace288256284ff74 [0,3,0,0,0,0|1,0,0]=4 24610 B12R0.255 CCOCCOC(C)COC(C)C 81b622ff5c3890ce1eb2f32f6299cf9f [0,3,0,0,0,0|1,0,0]=4 24611 B12R0.255 CCOCCO[C@@H](C)COC(C)C f54d0832b6759ec3c01fa8956ec28688 [0,3,0,0,0,0|1,0,0]=4 24612 B12R0.255 CCOCOCC(C)CCC(C)C e66e450788b7d7e8720c0f4c3b0d6dd5 [0,3,0,0,0,0|1,0,0]=4 24613 B12R0.255 CCSCCCN(C)CCC(C)C 3aecefcdc83f96e38193df6c1ed1a718 [0,3,0,0,0,0|1,0,0]=4 24614 B12R0.255 CCSCCCN(C)CCC(C)O c0349080157df550b4f1694bdbc2298b [0,3,0,0,0,0|1,0,0]=4 24615 B12R0.255 CCSCCNC(C)CCC(C)C 295a31a75028a79861458db50673c7bc [0,3,0,0,0,0|1,0,0]=4 24616 B12R0.255 CCSCCOC(C)CCC(C)C d3bd18056b86ab043397d862b5758c5c [0,3,0,0,0,0|0,0,0]=3 24617 B12R0.255 CCSCCOC(C)CCN(C)C f1cacb6f2b21251e1a95b2e61fb900dc [0,3,0,0,0,0|1,0,0]=4 24618 B12R0.255 CCSCCOC(C)COC(C)C f42d0e4c3af0babc5554bf17aab1e180 [0,3,0,0,0,0|1,0,0]=4 24619 B12R0.255 CCSCCO[C@@H](C)COC(C)C 2317f3cea56be5a406174efb78fae60b [0,3,0,0,0,0|1,0,0]=4 24620 B12R0.255 COCCCCN(C)CCC(C)C 11c1e8656fb7a09533333650139da2a9 [0,3,0,0,0,0|1,0,0]=4 24621 B12R0.255 COCCCCN(C)CCC(C)O 15d3b185e975b7ba6738e39114bbd77c [0,3,0,0,0,0|1,0,0]=4 24622 B12R0.255 COCCCNC(C)CCC(C)C ddd80e6c3cd763cf39566b6143120b3c [0,3,0,0,0,0|1,0,0]=4 24623 B12R0.255 COCCCOC(C)CCC(C)C e2456bdd5554185ddabc3603a665bc8a [0,3,0,0,0,0|0,0,0]=3 24624 B12R0.255 COCCCOC(C)CCN(C)C be0989d1eec8d24360213f2fe81bfe93 [0,3,0,0,0,0|1,0,0]=4 24625 B12R0.255 COCCCOC(C)COC(C)C 1754c125d9c4db8310e2f9de0fb8341a [0,3,0,0,0,0|1,0,0]=4 24626 B12R0.255 COCCCO[C@@H](C)COC(C)C 3fef1ba8604704203cea98be62a099c3 [0,3,0,0,0,0|1,0,0]=4 24627 B12R0.255 COCCOCC(C)CCC(C)C 480888ca56e9ac133aa4aebf4a6bff58 [0,3,0,0,0,0|1,0,0]=4 24628 B12R0.255 COCCOCN(C)CCC(C)C 0765541aa6d0abcc9c64975f8c5fafe9 [0,3,0,0,0,0|1,0,0]=4 24629 B12R0.255 COCCOCN(C)CCC(C)O e5c3cfa30b67ca1ec6c5ed9fb06f2e24 [0,3,0,0,0,0|1,0,0]=4 24630 B12R0.255 CSCCCNC(C)CCC(C)C c2796fee2118c9340bb9493a3dfa322d [0,3,0,0,0,0|1,0,0]=4 24631 B12R0.255 CSCCCOC(C)CCC(C)C 5f6c44a1fffdba904319019367d784ff [0,3,0,0,0,0|0,0,0]=3 24632 B12R0.255 CSCCCOC(C)CCN(C)C c40fc00de202f9b559982917742f23ff [0,3,0,0,0,0|1,0,0]=4 24633 B12R0.255 CSCCCOC(C)COC(C)C 0311a9613641a4d860f9104c37150641 [0,3,0,0,0,0|1,0,0]=4 24634 B12R0.255 CSCCCO[C@@H](C)COC(C)C 446cdd7f873bcc588733fca4dade5a52 [0,3,0,0,0,0|1,0,0]=4 24635 B12R0.255 CSCCOCC(C)CCC(C)C 9f258359b508f246ca70a35fcb855786 [0,3,0,0,0,0|1,0,0]=4 24636 B12R0.585 CCCCCCC(C)(C)COCC 7588e045f63ba1d171049722abec5dec [0,3,0,0,0,0|1,0,0]=4 24637 B12R0.585 CCCCCNC(C)(C)CCCO 886d514a16ee2467a60ce963e22382e9 [0,3,0,0,0,0|1,0,0]=4 24638 B12R0.585 CCCCCNC(C)(C)CCSC 2517672bc87c4f079c9638d34e6b8629 [0,3,0,0,0,0|1,0,0]=4 24639 B12R0.585 CCCCCNC(C)(C)COCC f27fc206634407bfc58ac619c141c38a [0,3,0,0,0,0|1,0,0]=4 24640 B12R0.585 CCCCCNC(C)(C)CSCC 81bee97139eeaef2c0a515d80c3b931e [0,3,0,0,0,0|1,0,0]=4 24641 B12R0.585 CCCCNCC(C)(C)COCC 3322479818d04af614fda3d08070b030 [0,3,0,0,0,0|1,0,0]=4 24642 B12R0.648 CCCCC(C)N(C)CCCCO b3b909b39cb4b1f7453732e1c91498d3 [0,3,0,0,0,0|1,0,0]=4 24643 B12R0.648 CCCCC(C)N(C)CCCOC 2d822689435af08e0a0999e10ad2e42c [0,3,0,0,0,0|1,0,0]=4 24644 B12R0.648 CCCCC(C)N(C)CCOCC e31d72d967fa27203018d10512c8f788 [0,3,0,0,0,0|1,0,0]=4 24645 B12R0.648 CCCCCC(=O)N(C)CCCC 12ed8e4e55307a2a979d664f58aa0c27 [0,3,0,0,0,0|1,0,0]=4 24646 B12R0.648 CCCCCC(C)N(C)CCCC c1749315779511c426e4e57b7f7db799 [0,3,0,0,0,0|1,0,0]=4 24647 B12R0.648 CCCCCN(C)C(=O)CCCC b8e48fd07fbf020f91bdded241b261bc [0,3,0,0,0,0|1,0,0]=4 24648 B12R0.648 CCCCCN(C)C(C)CCCC 0f07cf8ab6abf145494288b2cf66b8e8 [0,3,0,0,0,0|1,0,0]=4 24649 B12R0.648 CCCCCN(C)C(C)CCCO 568408f0fe05c4271c680004b9c2d4ce [0,3,0,0,0,0|1,0,0]=4 24650 B12R0.648 CCCCC[C@H](C)N(C)CCCC e4bd278d6bdac398e61bb9bd8af0890d [0,3,0,0,0,0|1,0,0]=4 24651 B12R0.648 CCCCN(C)C(C)CCCCO 0b91dcd7d5a40c0a72d72ff1222499c2 [0,3,0,0,0,0|1,0,0]=4 24652 B12R0.648 CCCCNC(=O)C(O)CCCC 527eb168d1bdc9f0fd69a7544c502701 [0,3,0,0,0,0|1,0,0]=4 24653 B12R0.648 CCCCNC(=O)[C@@H](O)CCCC 5821783f9f05ecdc6dd6ddc4d0adb15e [0,3,0,0,0,0|1,0,0]=4 24654 B12R0.648 CCCCNC(=O)[C@H](O)CCCC 02041b62b99906754c6135ff0de8717f [0,3,0,0,0,0|1,0,0]=4 24655 B12R0.648 CCCCOC(=O)C(C)NCCC 9459fd2f433a4c730422c0695311568d [0,3,0,0,0,0|0,0,1]=4 24656 B12R0.648 CCCCOC(=O)C(C)OCCC 032e6ac1e30eb10db9be687f3f3b3639 [0,3,0,0,0,0|0,0,1]=4 24657 B12R0.648 CCCCOC(=O)[C@H](C)NCCC c452e5cb19ae35c6f4298d013006d863 [0,3,0,0,0,0|0,0,1]=4 24658 B12R0.648 CCCCOC(=O)[C@H](C)OCCC 5493df3e411a585a9dbe9ff5749b8d9d [0,3,0,0,0,0|0,0,1]=4 24659 B12R0.648 CCCCOC(C)C(=O)NCCC ad7a68da42884ea4c7983bb9c889f86f [0,3,0,0,0,0|0,0,1]=4 24660 B12R0.648 CCCCOC(C)C(=O)OCCC a469c0b62bfab3caa83a1ab0b7ae6134 [0,3,0,0,0,0|0,0,1]=4 24661 B12R0.648 CCCCO[C@@H](C)C(=O)OCCC 565040bfb203ee4ec6ce02ae317071f6 [0,3,0,0,0,0|0,0,1]=4 24662 B12R0.86 C=C(C)CCCOC(C)C(C)CC 5b8ce472d4a7e16f36137bdeaddf83d5 [0,3,0,0,0,0|0,0,1]=4 24663 B12R0.86 C=C(C)CCOCC(C)C(S)CC 66df0df9f8d421d222c8a6b0da0980fc [0,3,0,0,0,0|0,0,1]=4 24664 B12R0.86 CCC(=O)C(C)OCCCC(C)C b0c90e8e6006820ccd5f871e8d22818a [0,3,0,0,0,0|0,0,1]=4 24665 B12R0.86 CCC(C)C(=O)COCCC(C)C b5ee9505a5ee36cfde60ffe433ae76b6 [0,3,0,0,0,0|0,0,1]=4 24666 B12R0.86 CCC(C)C(C)NCCCC(C)C 27744e12f3df2ef2d7096319ac4f848c [0,3,0,0,0,0|1,0,0]=4 24667 B12R0.86 CCC(C)C(C)NCCCC(C)O 01dafca157f59235002ee92d8356b512 [0,3,0,0,0,0|1,0,0]=4 24668 B12R0.86 CCC(C)C(C)OCCCC(=O)C 6e4b88e15af28dab2a0577ee2b78d0cc [0,3,0,0,0,0|0,0,1]=4 24669 B12R0.86 CCC(C)C(C)OCCCC(C)C a2463d57311614267dc32edce0b8e4d4 [0,3,0,0,0,0|0,0,0]=3 24670 B12R0.86 CCC(C)C(C)OCCCN(C)C 3b0d5bdd7f0b9d39b508c907c7eda912 [0,3,0,0,0,0|1,0,0]=4 24671 B12R0.86 CCC(C)C(C)OCCOC(C)C 1488df5a8e50bb5d42e5ae6dcfd39316 [0,3,0,0,0,0|1,0,0]=4 24672 B12R0.86 CCC(C)C(C)OCCSC(C)C c1dc76ccb724eb866f7d2535fddfc8dc [0,3,0,0,0,0|1,0,0]=4 24673 B12R0.86 CCC(S)C(C)COCCC(=O)C 55e40b8e3f2fa3520c3e537b75eaddf5 [0,3,0,0,0,0|0,0,1]=4 24674 B12R0.86 CCC(S)C(C)COCCC(C)C ab76158df1149e7fabc50886226c1cba [0,3,0,0,0,0|0,0,0]=3 24675 B12R0.86 CCC(S)C(C)COCCN(C)C be4d94360d68496c8f8604e139e5b7b2 [0,3,0,0,0,0|1,0,0]=4 24676 B12R0.86 CCC(S)C(C)COCCS(=O)C 95b120ce56d9ea9fa51325fc02c6e1ae [0,3,0,0,0,0|1,0,0]=4 24677 B12R0.86 CCC(S)C(C)COCOC(C)C e546b59e92e4f40d8d210f79f2607bcd [0,3,0,0,0,0|1,0,0]=4 24678 B12R0.86 CCN(C)C(C)COCCC(C)C f561ee677f9450fd6d779d965cacfd46 [0,3,0,0,0,0|1,0,0]=4 24679 B12R0.86 CCN(C)[C@@H](C)COCCC(C)C a5b568c197d00891f436350e76019612 [0,3,0,0,0,0|1,0,0]=4 24680 B12R0.86 CCN(C)[C@H](C)COCCC(C)C 19117480179afc9d0c267aa64889bfdc [0,3,0,0,0,0|1,0,0]=4 24681 B12R0.86 COC(C)C(C)OCCCC(C)C 9f15dbf551a88873b99b7af893e17c88 [0,3,0,0,0,0|1,0,0]=4 24682 B12R0.116 CCC(CC)C(C)OCCCCF def541691315108fdc8a1f2f2d972860 [0,3,0,0,0,0|1,0,0]=4 24683 B12R0.116 CCC(CC)C(C)OCCCOC d4ad6e5e443c07e956f5fab2e4f63dfe [0,3,0,0,0,0|1,0,0]=4 24684 B12R0.116 CCC(CC)C(C)OCCCSC 445e3d0746679f1addeb85d5b5cac531 [0,3,0,0,0,0|1,0,0]=4 24685 B12R0.116 CCCCCOC(C)C(CC)CC 2be2fe1b6f7592fe53b025db70cf2795 [0,3,0,0,0,0|0,0,0]=3 24686 B12R0.116 CCCCCOC(C)C(OC)OC e5c0e107a4fd94da5428805905216cce [0,3,0,0,0,0|1,0,0]=4 24687 B12R0.116 CCCCCO[C@@H](C)C(OC)OC c3b004fb4731451d69482b9615f5d8e1 [0,3,0,0,0,0|1,0,0]=4 24688 B12R0.116 CCCCCO[C@H](C)C(OC)OC d1e788dfbbdb7e40464db15aeef0abe1 [0,3,0,0,0,0|1,0,0]=4 24689 B12R0.116 CCCCOCC(C)N(CC)CC 3f3f97c9d682fe75de7c2d5326c128bf [0,3,0,0,0,0|1,0,0]=4 24690 B12R0.116 CCCCOCN(C)C(C#N)CC d94b02e0f7afb0004e6d5cfd5b9ffb15 [0,3,0,0,0,0|1,0,0]=4 24691 B12R0.116 CCCCOCN(C)C(CC)CC dd023d019c7dce72766e2790f87df069 [0,3,0,0,0,0|1,0,0]=4 24692 B12R0.116 CCOCCOC(C)C(CC)CC 789dcad1a86950931864f3d83a6276c9 [0,3,0,0,0,0|1,0,0]=4 24693 B12R0.116 CCSCCOC(C)C(CC)CC 2e5929326a183c0c487ef73e25f3a968 [0,3,0,0,0,0|1,0,0]=4 24694 B12R0.156 C=C(CC)COCC(C)C(S)CC 427bbc5a488f5359f176d7ca2154d507 [0,3,0,0,0,0|0,0,1]=4 24695 B12R0.156 CCC(=O)C(C)OCCC(C)CC 8d9e2699130aac40fd5e11fc9bef3f59 [0,3,0,0,0,0|0,0,1]=4 24696 B12R0.156 CCC(=O)C(C)OCCC(S)CC 40462502f5e89bb53e908e3e24899c67 [0,3,0,0,0,0|0,0,1]=4 24697 B12R0.156 CCC(=O)C(C)OCC[C@@H](C)CC 413fb9f5c8b92680e6100e0e21f4b9f1 [0,3,0,0,0,0|0,0,1]=4 24698 B12R0.156 CCC(=O)COCC(C)C(S)CC cd13bef877bb09ee01fb4cd2f35c40c6 [0,3,0,0,0,0|0,0,1]=4 24699 B12R0.156 CCC(C)C(=O)COC[C@@H](C)CC 46d5788922deb94032451dae33c86a47 [0,3,0,0,0,0|0,0,1]=4 24700 B12R0.156 CCC(C)C(=O)COC[C@H](C)CC 574d7708120230d670b4b100edae6e6a [0,3,0,0,0,0|0,0,1]=4 24701 B12R0.156 CCC(C)C(C)OCCS(=O)CC 9f5b066020f49f480d5f2259dd8a228c [0,3,0,0,0,0|1,0,0]=4 24702 B12R0.156 CCC(C)CCNC(C)C(C)CC 12acc39140d993122b065bb7a35bd6ea [0,3,0,0,0,0|1,0,0]=4 24703 B12R0.156 CCC(C)CCOC(C)C(C)CC fa33ade54b1b7915f649baaa718481a8 [0,3,0,0,0,0|0,0,0]=3 24704 B12R0.156 CCC(C)CCOC(C)C(C)OC 0f2ceaab8af3775038b1f83e39a097cb [0,3,0,0,0,0|1,0,0]=4 24705 B12R0.156 CCC(C)COCC(=O)C(C)CC a9769fed76ddf593fd62ec83bc4370ba [0,3,0,0,0,0|0,0,1]=4 24706 B12R0.156 CCC(C)COCC(C)C(S)CC c2d4ceedc36b13dbc1090bf566506de9 [0,3,0,0,0,0|0,0,0]=3 24707 B12R0.156 CCC(C)COCC(C)N(C)CC 44f5cd06870fa2fb1abc7e0873c61c28 [0,3,0,0,0,0|1,0,0]=4 24708 B12R0.156 CCC(C)COC[C@@H](C)N(C)CC d72a5aa326083df23c47604e53a18f8e [0,3,0,0,0,0|1,0,0]=4 24709 B12R0.156 CCC(C)COC[C@H](C)N(C)CC 55f57aa39d5526de090fd501044f6b16 [0,3,0,0,0,0|1,0,0]=4 24710 B12R0.156 CCC(S)C(C)COCC(C)OC 0b2d268f375ceed76ec5884b2e1175e4 [0,3,0,0,0,0|1,0,0]=4 24711 B12R0.156 CCC(S)C(C)COCC(O)CO d7721176aea8b237fe21a199a3c7f840 [0,3,0,0,0,0|1,0,0]=4 24712 B12R0.156 CCC(S)C(C)COC[C@@H](C)CC 2ff75d5928859769a4a7b90fed7b9a88 [0,3,0,0,0,0|0,0,0]=3 24713 B12R0.156 CCC(S)C(C)COC[C@@H](C)OC d3357a7c2423c6fcd09682923a5a3ce3 [0,3,0,0,0,0|1,0,0]=4 24714 B12R0.156 CCC(S)C(C)COC[C@@H](O)CO 8d82f54bfe019306a2df0563795a43e3 [0,3,0,0,0,0|1,0,0]=4 24715 B12R0.156 CCC(S)C(C)COC[C@H](C)CC 02385bea537df1c111c5066f6550cc9a [0,3,0,0,0,0|0,0,0]=3 24716 B12R0.156 CCC(S)C(C)COC[C@H](C)OC 4d59127cb78b7047d7b08649911cba1f [0,3,0,0,0,0|1,0,0]=4 24717 B12R0.156 CCC(S)C(C)COC[C@H](O)CO 39e0e35832ddc798472b795bef606e7e [0,3,0,0,0,0|1,0,0]=4 24718 B12R0.156 CC[C@@H](C)COCC(C)N(C)CC 50d4fbc21b1c9d7bfbf331df05714f6b [0,3,0,0,0,0|1,0,0]=4 24719 B12R0.156 CC[C@@H](C)COC[C@@H](C)N(C)CC fb02f298d6b1d8a3b6137ee65a8c260d [0,3,0,0,0,0|1,0,0]=4 24720 B12R0.156 CC[C@@H](C)COC[C@H](C)N(C)CC 30cb5a268efb09fa41c7dfede684456c [0,3,0,0,0,0|1,0,0]=4 24721 B12R0.156 CC[C@H](C)COCC(C)N(C)CC bdfa92fa30b9ef09a3c9537066ececf9 [0,3,0,0,0,0|1,0,0]=4 24722 B12R0.156 CC[C@H](C)COC[C@@H](C)N(C)CC ef1059e159c3d6dbec3bc11b51ed84ec [0,3,0,0,0,0|1,0,0]=4 24723 B12R0.156 CC[C@H](C)COC[C@H](C)N(C)CC 81c3bf99c0dfe70de2af44be0b0a57be [0,3,0,0,0,0|1,0,0]=4 24724 B12R0.200 CCCCCNC(CC)C(O)CC 6a4bbf2d1bfc0b605c45bb15475d2997 [0,3,0,0,0,0|1,0,0]=4 24725 B12R0.200 CCCCCNC(CO)C(C)CC 884f8fd06cee9d64820c84ec7ae08de5 [0,3,0,0,0,0|1,0,0]=4 24726 B12R0.200 CCCCCN[C@@H](CO)[C@H](C)CC 8abad68a6cc1be0a3867936bd68802a0 [0,3,0,0,0,0|1,0,0]=4 24727 B12R0.200 CCCCCN[C@H](CO)[C@@H](C)CC 32f7767122c9ddd0f73a627b849d9d6a [0,3,0,0,0,0|1,0,0]=4 24728 B12R0.200 CCCCCOC(CC)C(=O)CC dfdc1e0c545f7cd370a07ccd10636640 [0,3,0,0,0,0|0,0,1]=4 24729 B12R0.324 CCC(C)(C)C(C)OCCCCF 116d875cc5ef05bb572f0e25b9b0d430 [0,3,0,0,0,0|1,0,0]=4 24730 B12R0.324 CCC(C)(C)C(C)OCCCOC 756dfca88347c4b42224faad2ed4c026 [0,3,0,0,0,0|1,0,0]=4 24731 B12R0.324 CCC(C)(C)C(C)OCCCSC 0cd6027d095910f111b35afc8ddaee89 [0,3,0,0,0,0|1,0,0]=4 24732 B12R0.324 CCCCCOC(C)C(C)(C)CC b522c544b9d58096f2c409c31d72bd4c [0,3,0,0,0,0|0,0,0]=3 24733 B12R0.324 CCCCOCN(C)C(C)(C)CC 614c718c84b8c970b1962c02d9b199b0 [0,3,0,0,0,0|1,0,0]=4 24734 B12R0.324 CCOCCOC(C)C(C)(C)CC 194a41137f6557f0df4dab04c99c4306 [0,3,0,0,0,0|1,0,0]=4 24735 B12R0.324 CCSCCOC(C)C(C)(C)CC da586c01b163d6e27a86bdd7c884fb91 [0,3,0,0,0,0|1,0,0]=4 24736 B12R0.109 CCCCCN(C)C(C#N)CCC 481c6ebb1126a53bb2068997e3216d25 [0,3,0,0,0,0|1,0,0]=4 24737 B12R0.109 CCCCCN(C)C(CC)CCC cc6e4b1fe7cf6af085c7f2f19f00e6e7 [0,3,0,0,0,0|1,0,0]=4 24738 B12R0.294 CCCCOC(F)C(F)(F)OCC b8ad8447dd5a162fcfa84990f831203e [0,3,0,0,0,0|1,0,0]=4 24739 B12R0.363 CCCC(C)C(CC)OCCCF 52678a10cc394bdeb3cf5562102cf7ce [0,3,0,0,0,0|1,0,0]=4 24740 B12R0.363 CCCC(C)C(CC)OCCCS 331725886a942c2b05607f4d28774060 [0,3,0,0,0,0|1,0,0]=4 24741 B12R0.363 CCCC(C)C(CC)OCCOC 837920eeaff3d8bb64c95be46a300ef8 [0,3,0,0,0,0|1,0,0]=4 24742 B12R0.363 CCCC(C)C(CC)OCCSC 782098c5ab2e7b9dc566663ba41d3f9c [0,3,0,0,0,0|1,0,0]=4 24743 B12R0.363 CCCC(C)C(CC)OCOCC 7f6678ebc8c6958192ff5178e9367814 [0,3,0,0,0,0|1,0,0]=4 24744 B12R0.363 CCCCOC(CC)C(=O)CCC 328e61b52f73fdce2e95b3ed35ccda0d [0,3,0,0,0,0|0,0,1]=4 24745 B12R0.363 CCCCOC(CC)C(C)CCC 4763b7a67418d578b0760eb5e4b99ac7 [0,3,0,0,0,0|0,0,0]=3 24746 B12R0.203 CCCC(OCCCCF)C(=O)C 89378da8eb385321ab2845da1e3e545d [0,3,0,0,0,0|1,0,0]=4 24747 B12R0.203 CCCC(OCCCCF)C(=O)N f4d6c1490b60320f59bbfe0d60001f4b [0,3,0,0,0,0|1,0,0]=4 24748 B12R0.203 CCCC(OCCCCF)C(=O)O 446d2e2cf52947a86605e11c04d7da51 [0,3,0,0,0,0|1,0,0]=4 24749 B12R0.203 CCCC(OCCCCF)C(C)C 8120a9e1d32e950a87746e3c0f515afd [0,3,0,0,0,0|1,0,0]=4 24750 B12R0.203 CCCC(OCCCCS)C(=O)C a85e9e15f4cbc3885e321f2285dd9ff6 [0,3,0,0,0,0|1,0,0]=4 24751 B12R0.203 CCCC(OCCCOC)C(=O)C 51cc8dd7ec6df46df80879ca2dc20096 [0,3,0,0,0,0|1,0,0]=4 24752 B12R0.203 CCCC(OCCCOC)C(=O)N 4da6f9b8c2118f7e97b3fcaa5ef93826 [0,3,0,0,0,0|1,0,0]=4 24753 B12R0.203 CCCC(OCCCOC)C(=O)O eb875708aa06eb1dcda9c00e17f46a0a [0,3,0,0,0,0|1,0,0]=4 24754 B12R0.203 CCCC(OCCCOC)C(C)C 4f145ea4f3de24c4817031bc530468ed [0,3,0,0,0,0|1,0,0]=4 24755 B12R0.203 CCCC(OCCCSC)C(=O)C c878bc40de6422516192e78593ec7270 [0,3,0,0,0,0|1,0,0]=4 24756 B12R0.203 CCCC(OCCCSC)C(=O)N e4bca79efa31964ea85a4d8cf5a27bb0 [0,3,0,0,0,0|1,0,0]=4 24757 B12R0.203 CCCC(OCCCSC)C(=O)O d42b3aab6a81ca3ad3dbba64ddd48372 [0,3,0,0,0,0|1,0,0]=4 24758 B12R0.203 CCCC(OCCCSC)C(C)C 73b0611552d39e45f51406f1f53eb6cb [0,3,0,0,0,0|1,0,0]=4 24759 B12R0.203 CCCC(OCCOCC)C(=O)C eb00795df548fb327cfd9a69f6d098ad [0,3,0,0,0,0|1,0,0]=4 24760 B12R0.203 CCCC(OCCOCC)C(=O)N de5a8d9004207f6fd19056aba0bbc84d [0,3,0,0,0,0|1,0,0]=4 24761 B12R0.203 CCCC(OCCOCC)C(=O)O 870865329ef7365f76501a871219e9cd [0,3,0,0,0,0|1,0,0]=4 24762 B12R0.203 CCCC(OCCOCC)C(C)C ad36e7922829aa23d3c4458890751871 [0,3,0,0,0,0|1,0,0]=4 24763 B12R0.203 CCCC(OCCSCC)C(=O)C fb18907a98efab6d7fce565f9701b830 [0,3,0,0,0,0|1,0,0]=4 24764 B12R0.203 CCCC(OCCSCC)C(=O)N 312c669194e2cc5925fb4e5b32723d4c [0,3,0,0,0,0|1,0,0]=4 24765 B12R0.203 CCCC(OCCSCC)C(C)C 4576c238643b9ca1a0ab88bdb3dac23a [0,3,0,0,0,0|1,0,0]=4 24766 B12R0.203 CCCCCNC(CCC)C(=O)C 797dbdd838689235e73772c0b77102fc [0,3,0,0,0,0|1,0,0]=4 24767 B12R0.203 CCCCCNC(CCC)C(=O)O 23a942353acc03ba2dd0bdb4c046a900 [0,3,0,0,0,0|1,0,0]=4 24768 B12R0.203 CCCCCN[C@@H](CCC)C(=O)O eb3cf783b9aa2732ea0c318a375fb449 [0,3,0,0,0,0|1,0,0]=4 24769 B12R0.203 CCCCCN[C@H](CCC)C(=O)O 810f4ab41e4c55f2f6f972343ee521c9 [0,3,0,0,0,0|1,0,0]=4 24770 B12R0.203 CCCCCOC(CCC)C(=O)C 657f67993cf1d1847ec5fc6835f752d7 [0,3,0,0,0,0|0,0,0]=3 24771 B12R0.203 CCCCCOC(CCC)C(=O)N 2f4d9c362dd2281e5e412689da486058 [0,3,0,0,0,0|0,0,0]=3 24772 B12R0.203 CCCCCOC(CCC)C(=O)O 5def778d7344dc68857d2e3499d2966a [0,3,0,0,0,0|0,0,0]=3 24773 B12R0.203 CCCCCOC(CCC)C(C)C ddcbb6d700c72337ed29f07d07aba9f8 [0,3,0,0,0,0|0,0,0]=3 24774 B12R0.203 CCCCCOC(COC)C(=O)O 22b378d8973a493e8c3ede51d1fa6f0a [0,3,0,0,0,0|1,0,0]=4 24775 B12R0.203 CCCCCOC(CSC)C(=O)O 90e586502bd3dc1ef875ce1033c4d9c5 [0,3,0,0,0,0|1,0,0]=4 24776 B12R0.203 CCCCCOC(OCC)C(F)F 3b002e783534e22d3307bd4e984e7311 [0,3,0,0,0,0|1,0,0]=4 24777 B12R0.203 CCCCCO[C@@H](CCC)C(=O)O a74a9ea1abb094c54ab25fe059fce2c8 [0,3,0,0,0,0|0,0,0]=3 24778 B12R0.203 CCCCCO[C@H](CCC)C(=O)O 0100c6ef5ad32e0d1559b968ab15f313 [0,3,0,0,0,0|0,0,0]=3 24779 B12R0.203 CCCCNCC(CCC)C(=O)O 7920988a0f98ba8ebc9405fa9f59b8e7 [0,3,0,0,0,0|1,0,0]=4 24780 B12R0.203 CCCCNCC(CCC)N(C)C f8f9e20190972e92b9f523e161cf0f9c [0,3,0,0,0,0|1,0,0]=4 24781 B12R0.203 CCCCNC[C@H](CCC)C(=O)O a0df101b9b23474240da1ee13025443a [0,3,0,0,0,0|1,0,0]=4 24782 B12R0.203 CCCCOCN(CCC)C(C)C 6afd942bf50a1d5df67f3c36075cbe26 [0,3,0,0,0,0|1,0,0]=4 24783 B12R0.203 CCCCOC[C@@H](CCC)C(=O)O 80c08cab5f7022653f29e19c5a108b98 [0,3,0,0,0,0|0,0,0]=3 24784 B12R0.203 CCC[C@@H](OCCCCF)C(=O)O a06dd777b43901bf4cd96b501f6f868c [0,3,0,0,0,0|1,0,0]=4 24785 B12R0.203 CCC[C@@H](OCCCOC)C(=O)O dfa830a900d499d976e02f3341b2e1d2 [0,3,0,0,0,0|1,0,0]=4 24786 B12R0.203 CCC[C@@H](OCCCSC)C(=O)O f7dd4138bad21dad683fde6088ffce0f [0,3,0,0,0,0|1,0,0]=4 24787 B12R0.203 CCC[C@@H](OCCOCC)C(=O)O 68aa1f5e2fdf58aa56b514f7dc2ddc57 [0,3,0,0,0,0|1,0,0]=4 24788 B12R0.203 CCC[C@H](COCCCF)C(=O)O 3476158d41b13a123981825204dd1d9d [0,3,0,0,0,0|1,0,0]=4 24789 B12R0.203 CCC[C@H](COCCOC)C(=O)O 71c358656a805fbe273546172538b8c0 [0,3,0,0,0,0|1,0,0]=4 24790 B12R0.203 CCC[C@H](COCCSC)C(=O)O 2b3743674167e71e3176d83324633996 [0,3,0,0,0,0|1,0,0]=4 24791 B12R0.203 CCC[C@H](OCCCCF)C(=O)O e3c59b525293defc331136afcabb7b82 [0,3,0,0,0,0|1,0,0]=4 24792 B12R0.203 CCC[C@H](OCCCOC)C(=O)O a33d4536b24ac425f807095ec44eebcf [0,3,0,0,0,0|1,0,0]=4 24793 B12R0.203 CCC[C@H](OCCCSC)C(=O)O e7095925093047eb39b7afb6d8178125 [0,3,0,0,0,0|1,0,0]=4 24794 B12R0.203 CCC[C@H](OCCOCC)C(=O)O a3783cc62c58d88739202c81c723b34d [0,3,0,0,0,0|1,0,0]=4 24795 B12R0.205 C=CCN(CCC)COCCCC 9dfc5158de256b4fd2fd527fb3b8e9c1 [0,3,0,0,0,0|1,0,0]=4 24796 B12R0.205 CCCC(CCC)COCCCF 11dd90664dbec9e906496eb5a7e33589 [0,3,0,0,0,0|1,0,0]=4 24797 B12R0.205 CCCC(CCC)COCCCS 2ee7bb60a89e6ea0acb08195362e519b [0,3,0,0,0,0|1,0,0]=4 24798 B12R0.205 CCCC(CCC)COCCOC af3e672e8783500647db2c9e50be5808 [0,3,0,0,0,0|1,0,0]=4 24799 B12R0.205 CCCC(CCC)COCCSC 70c834db87366ec461b5a9b0681f729c [0,3,0,0,0,0|1,0,0]=4 24800 B12R0.205 CCCC(CCC)COCOCC 8d44d454ea3fe6a255abf2dbbe8e6cb3 [0,3,0,0,0,0|1,0,0]=4 24801 B12R0.205 CCCC(CCC)OCCCCF 7e9d36039e2e34af6051cfc37c9ef49a [0,3,0,0,0,0|1,0,0]=4 24802 B12R0.205 CCCC(CCC)OCCCCS 822e35844fccfb44f002bfa762185db7 [0,3,0,0,0,0|1,0,0]=4 24803 B12R0.205 CCCC(CCC)OCCCOC b2474853d2e5ef6add57cb9caca79535 [0,3,0,0,0,0|1,0,0]=4 24804 B12R0.205 CCCC(CCC)OCCCSC 717ef63d1205fde77039a994e4de0c4d [0,3,0,0,0,0|1,0,0]=4 24805 B12R0.205 CCCC(CCC)OCCOCC b164ed7daf7863a3e0e90bb60b432008 [0,3,0,0,0,0|1,0,0]=4 24806 B12R0.205 CCCC(CCC)OCCSCC ed748c1da3ae0a8383aba5fd645156d0 [0,3,0,0,0,0|1,0,0]=4 24807 B12R0.205 CCCCCCC(CCC)OCC e83d6d710d3f909f3101e67dc65fd336 [0,3,0,0,0,0|1,0,0]=4 24808 B12R0.205 CCCCCCC(CCC)OCF 80e8515d91dd9c34d61b64bc98924cd9 [0,3,0,0,0,0|1,0,0]=4 24809 B12R0.205 CCCCCNC(CCC)CCC 552b3ae8177c22a44ebbb5f004f09201 [0,3,0,0,0,0|1,0,0]=4 24810 B12R0.205 CCCCCNC(CCC)CCO c8493f07ebac71f8658abd9075c7a472 [0,3,0,0,0,0|1,0,0]=4 24811 B12R0.205 CCCCCOC(CCC)CCC 58a77c4e6eb8bb5d5fd7e00573c0d674 [0,3,0,0,0,0|0,0,0]=3 24812 B12R0.205 CCCCCOC(COC)COC 339670d74bf364088fc85713dfed821f [0,3,0,0,0,0|1,0,0]=4 24813 B12R0.205 CCCCNCC(CCC)CCC 78a14f062867ab6542ea7495368b0528 [0,3,0,0,0,0|1,0,0]=4 24814 B12R0.205 CCCCOCC(CCC)CCC ece54de3e440fe9fe1268a4550e5030b [0,3,0,0,0,0|0,0,0]=3 24815 B12R0.205 CCCCOCC(OCC)OCC 1520bb3d11d5c19240384f55d7fd5570 [0,3,0,0,0,0|1,0,0]=4 24816 B12R0.205 CCCCOCN(CCC)CCC 488e06005cf530354104d1f771a389c3 [0,3,0,0,0,0|1,0,0]=4 24817 B12R0.205 CCCCOCN(CCC)CCO 004eb5f951ca7123554ed481e5e8abdc [0,3,0,0,0,0|1,0,0]=4 24818 B12R0.224 C#CC(CCC)OCCCC(=C)C 5147b1fadb59660f9daea5efc46a9c4a [0,3,0,0,0,0|0,0,1]=4 24819 B12R0.224 C#CC(CCC)OCCCC(=O)C 12ed0dfa88a57cfcd7f6bda558f78af7 [0,3,0,0,0,0|0,0,1]=4 24820 B12R0.224 C#CC(CCC)OCCCC(C)C 09b571b7118a40ff9d65dc180e734528 [0,3,0,0,0,0|0,0,0]=3 24821 B12R0.224 C#CC(CCC)OCCCN(C)C 2779abcf1c2aa4482cda644ae4db24dc [0,3,0,0,0,0|1,0,0]=4 24822 B12R0.224 C#CC(CCC)OCCOC(C)C bd54eb0a3b7a6d4d93a92da76ac6bb3a [0,3,0,0,0,0|1,0,0]=4 24823 B12R0.224 C#CC(CCC)OCCSC(C)C 2e4f11edd1a48bf0a1df348ee0057b26 [0,3,0,0,0,0|1,0,0]=4 24824 B12R0.224 C=C(C)CCCOC(C#N)CCC 0bbb2440615b74dcf91cba4e4f548a1c [0,3,0,0,0,0|0,0,1]=4 24825 B12R0.224 C=C(C)CCCOC(CC)CCC 43e101c82fd7d006ad4c5f6e25efdc3d [0,3,0,0,0,0|0,0,1]=4 24826 B12R0.224 C=C(C)CCCO[C@H](CC)CCC 51f5ae8a157a7230dc7fefd9eda21a5d [0,3,0,0,0,0|0,0,1]=4 24827 B12R0.224 C=C(C)CCOCC(CC)CCC f0ceb48fa4ab3bbe7605f4b82979e089 [0,3,0,0,0,0|0,0,1]=4 24828 B12R0.224 C=CC(CCC)OCCCC(=C)C 76bee06b1fbab477c8cdb2ddb2117cde [0,3,0,0,0,0|0,0,1]=4 24829 B12R0.224 C=CC(CCC)OCCCC(=O)C 603d5f9f215cf4afe8850689ab0e1b51 [0,3,0,0,0,0|0,0,1]=4 24830 B12R0.224 C=CC(CCC)OCCCC(C)C da648f9a19301d7a357e018a6e8a76da [0,3,0,0,0,0|0,0,0]=3 24831 B12R0.224 C=CC(CCC)OCCCN(C)C 9eb662e7c2fd9fc015ce757809ca17c4 [0,3,0,0,0,0|1,0,0]=4 24832 B12R0.224 C=CC(CCC)OCCOC(C)C d0d8aaebf50132aa571e1f6a28171af8 [0,3,0,0,0,0|1,0,0]=4 24833 B12R0.224 C=CC(CCC)OCCSC(C)C 0a1bb53bd19d50e89ed39be2896148a7 [0,3,0,0,0,0|1,0,0]=4 24834 B12R0.224 CC(C)CCCOC(CBr)CCBr c4ed1b4832178b50ebcaec7652a39b70 [0,3,0,0,0,0|1,0,0]=4 24835 B12R0.224 CC(C)CCCOC(CCl)CCCl 382b41cb8f3f9dfbf673eb7fbc7a2665 [0,3,0,0,0,0|1,0,0]=4 24836 B12R0.224 CC(C)CCCO[C@@H](CO)CCO d4da361c42d4f6e38b4cc4683efdd766 [0,3,0,0,0,0|1,0,0]=4 24837 B12R0.224 CCC(COC)OCCCC(C)C 56cfe68a79a7ffe244ef3a29583ebda1 [0,3,0,0,0,0|1,0,0]=4 24838 B12R0.224 CCC(CSC)OCCCC(C)C d5450c10c62d69af6f6998181e2fe7c1 [0,3,0,0,0,0|1,0,0]=4 24839 B12R0.224 CCCC(C#N)OCCCC(=O)C b00e5fe1764f9f90a2e34e65c87bdd65 [0,3,0,0,0,0|0,0,1]=4 24840 B12R0.224 CCCC(C#N)OCCCC(C)C 4934cf9e3f6b3bbb380b0f984df8decd [0,3,0,0,0,0|0,0,0]=3 24841 B12R0.224 CCCC(C#N)OCCCN(C)C 8946bca966937805f3fd2dc014a5ad9f [0,3,0,0,0,0|1,0,0]=4 24842 B12R0.224 CCCC(C#N)OCCOC(C)C 042f063f4e74ee43c78aeb5f33e6852f [0,3,0,0,0,0|1,0,0]=4 24843 B12R0.224 CCCC(C#N)OCCSC(C)C 620e22562fbffae185c63aafac21f1fe [0,3,0,0,0,0|1,0,0]=4 24844 B12R0.224 CCCC(CC)COCCC(=O)C 26d9626df35d38cf093d07e74de575b9 [0,3,0,0,0,0|0,0,1]=4 24845 B12R0.224 CCCC(CC)COCCC(C)C 4a1c32bdd2aa93f17cdfcaba8fbefcdc [0,3,0,0,0,0|0,0,0]=3 24846 B12R0.224 CCCC(CC)COCCN(C)C 2703e3088f79d8b16257b655f8937f00 [0,3,0,0,0,0|1,0,0]=4 24847 B12R0.224 CCCC(CC)COCCS(=O)C 3f8884770665c5f360d6f0dd42cbdad2 [0,3,0,0,0,0|1,0,0]=4 24848 B12R0.224 CCCC(CC)COCOC(C)C d3de3a248b640322ded78d12ab16f908 [0,3,0,0,0,0|1,0,0]=4 24849 B12R0.224 CCCC(CC)NCCCC(C)C 5040383c17b4f128655f8c536e7d89ae [0,3,0,0,0,0|1,0,0]=4 24850 B12R0.224 CCCC(CC)OCCCC(=O)C 92778fd1efd8588c29237b013fe7f9d6 [0,3,0,0,0,0|0,0,1]=4 24851 B12R0.224 CCCC(CC)OCCCC(C)C 0f6b72460dbd7af276527a9fece8e093 [0,3,0,0,0,0|0,0,0]=3 24852 B12R0.224 CCCC(CC)OCCCN(C)C a2fedc88d3c5339df83daeea6497c03a [0,3,0,0,0,0|1,0,0]=4 24853 B12R0.224 CCCC(CC)OCCOC(C)C 8c55885790ba7499d2feaea4a5b42045 [0,3,0,0,0,0|1,0,0]=4 24854 B12R0.224 CCCC(CC)OCCSC(C)C c15a55e051d58bc865bd35edcb7a12e1 [0,3,0,0,0,0|1,0,0]=4 24855 B12R0.224 CCCC(CO)NCCCC(C)C 384d584df095af6868dc5726386b688b [0,3,0,0,0,0|1,0,0]=4 24856 B12R0.224 CCCC(CO)NCCCC(C)O 6334af4b6d6d08dcc0fa7e65c30512dd [0,3,0,0,0,0|1,0,0]=4 24857 B12R0.224 CCC[C@@H](CC)OCCCC(=O)C 5f7b0eb35cddc0e6df5c8ab2f69e5f90 [0,3,0,0,0,0|0,0,1]=4 24858 B12R0.224 CCC[C@@H](CC)OCCCC(C)C 220b29316d00a6b550d0395d8e7229bc [0,3,0,0,0,0|0,0,0]=3 24859 B12R0.224 CCC[C@@H](CC)OCCCN(C)C f4ed359bd5c68361e2844c8d2a068e5f [0,3,0,0,0,0|1,0,0]=4 24860 B12R0.224 CCC[C@@H](CC)OCCOC(C)C 0ce40eefe4294bc44209878b1981fa2a [0,3,0,0,0,0|1,0,0]=4 24861 B12R0.224 CCC[C@@H](CC)OCCSC(C)C 82abd76446836aafc5334d41c1e1d4e8 [0,3,0,0,0,0|1,0,0]=4 24862 B12R0.224 CCC[C@@H](CO)NCCCC(C)C c97166b0a411cb937b5929b431d42ea9 [0,3,0,0,0,0|1,0,0]=4 24863 B12R0.224 CCC[C@@H](CO)NCCCC(C)O 870d060a144c39bde6dd879e53cc3f2d [0,3,0,0,0,0|1,0,0]=4 24864 B12R0.224 CCC[C@H](CO)NCCCC(C)C b17998164a7225aed0a938a33360f67f [0,3,0,0,0,0|1,0,0]=4 24865 B12R0.224 CCC[C@H](CO)NCCCC(C)O f5a47ff268ce49b572579a102f7a88a8 [0,3,0,0,0,0|1,0,0]=4 24866 B12R0.224 CCOC(CC)COCCC(C)C 5289358c3d3830a34b5cc7504e9f46ed [0,3,0,0,0,0|1,0,0]=4 24867 B12R0.229 C#CC(CCC)OCCC(C)CC 60ca4b958e1f2e537030d310ddcb380e [0,3,0,0,0,0|0,0,0]=3 24868 B12R0.229 C#CC(CCC)OCCS(=O)CC 070b130346b49253720a7a1f17037e74 [0,3,0,0,0,0|1,0,0]=4 24869 B12R0.229 C=C(CC)COCC(CC)CCC 78406d8b247977b9b5b023797160aae0 [0,3,0,0,0,0|0,0,1]=4 24870 B12R0.229 C=CC(CCC)OCCC(C)CC 1982bf6a0f224ef130a3abf77834269e [0,3,0,0,0,0|0,0,0]=3 24871 B12R0.229 C=CC(CCC)OCCS(=O)CC a74bdfac749a1542a3570cf755ccabc1 [0,3,0,0,0,0|1,0,0]=4 24872 B12R0.229 CCC(C)CCOC(CBr)CCBr 785382fc597d879822af259176bc7039 [0,3,0,0,0,0|1,0,0]=4 24873 B12R0.229 CCC(C)CCOC(CC)COC 33319a6dbeb63e87ee520347e6d8776f [0,3,0,0,0,0|1,0,0]=4 24874 B12R0.229 CCC(C)CCOC(CC)CSC ca6a91defa106a37cb37046ec9e74eba [0,3,0,0,0,0|1,0,0]=4 24875 B12R0.229 CCC(C)CCOC(CCl)CCCl 4c090d0db38c194b10f376fcba13fcc0 [0,3,0,0,0,0|1,0,0]=4 24876 B12R0.229 CCC(C)CCO[C@@H](CO)CCO 251fdf43c7fd8bbffc9749a59d311211 [0,3,0,0,0,0|1,0,0]=4 24877 B12R0.229 CCC(S)CCO[C@@H](CO)CCO 7bcea069c900700c191da3a35ecc2b15 [0,3,0,0,0,0|1,0,0]=4 24878 B12R0.229 CCCC(C#N)OCCC(C)CC 0bb64d51ea06d4cfe3161c734ec13e5a [0,3,0,0,0,0|0,0,0]=3 24879 B12R0.229 CCCC(C#N)OCCS(=O)CC b17f30622a693f352610ea77bba7d0e4 [0,3,0,0,0,0|1,0,0]=4 24880 B12R0.229 CCCC(CC)COCC(=O)CC 7f2f0c331cb83d0ddf50354a5af06b93 [0,3,0,0,0,0|0,0,1]=4 24881 B12R0.229 CCCC(CC)COCC(C)CC b5a362eb01291083baac9aa284b552bc [0,3,0,0,0,0|0,0,0]=3 24882 B12R0.229 CCCC(CC)COCC(C)OC 155e9c24062cd202b2c3f6a718dc2209 [0,3,0,0,0,0|1,0,0]=4 24883 B12R0.229 CCCC(CC)COCC(O)CO c1b8fb64d8d19d5d0952c584f1423fc6 [0,3,0,0,0,0|1,0,0]=4 24884 B12R0.229 CCCC(CC)COC[C@@H](C)CC 663c8cc0e2bb31d87f76f476f6475da1 [0,3,0,0,0,0|0,0,0]=3 24885 B12R0.229 CCCC(CC)COC[C@@H](C)OC 29ec2842ee07e56cfb0a19c9e080301a [0,3,0,0,0,0|1,0,0]=4 24886 B12R0.229 CCCC(CC)COC[C@@H](O)CO 92cffab40da7aeaa16e81da394412513 [0,3,0,0,0,0|1,0,0]=4 24887 B12R0.229 CCCC(CC)COC[C@H](C)CC f0a27bec6be974969a76b46a69d02e47 [0,3,0,0,0,0|0,0,0]=3 24888 B12R0.229 CCCC(CC)COC[C@H](C)OC 3d16d220612a73cf3c017b38e6b9a3f2 [0,3,0,0,0,0|1,0,0]=4 24889 B12R0.229 CCCC(CC)COC[C@H](O)CO e25111f8584660f88491046d78e36b5e [0,3,0,0,0,0|1,0,0]=4 24890 B12R0.229 CCCC(CC)NCCC(C)CC 914f94cc5e4aee13772dc7882b937c45 [0,3,0,0,0,0|1,0,0]=4 24891 B12R0.229 CCCC(CC)OCCC(C)CC 5c4696c9062aa19f6bbc0f15706a78d8 [0,3,0,0,0,0|0,0,0]=3 24892 B12R0.229 CCCC(CC)OCCC(C)OC d3199f70c11c0946a192ec7c2ed00645 [0,3,0,0,0,0|1,0,0]=4 24893 B12R0.229 CCCC(CC)OCCC(S)CC 089d3e87e395becccab12547ce62f5f8 [0,3,0,0,0,0|0,0,0]=3 24894 B12R0.229 CCCC(CC)OCCS(=O)CC a64b079657668c5fd6709831eba96ea7 [0,3,0,0,0,0|1,0,0]=4 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[0,3,0,0,0,0|1,0,0]=4 24906 B12R0.599 CCCCCNC(C)(CO)CCC 24ba5911d0da1285638afb3bfcacb94c [0,3,0,0,0,0|1,0,0]=4 24907 B12R0.599 CCCCOCC(C)(CC)COC 4e64bc87569330549378633cd0a0db63 [0,3,0,0,0,0|1,0,0]=4 24908 B12R0.176 CCC(C)COCC(C)(C)COC ceb5f80c7486d01c7ef72e602af58e47 [0,3,0,0,0,0|1,0,0]=4 24909 B12R0.176 CCCC(C)(O)CNCC(C)CC 90bc3727016a6e48468dd51ff3dc136b [0,3,0,0,0,0|1,0,0]=4 24910 B12R0.176 CCCC(C)(O)CNCC(O)CC da41e7d4196ada1c9de700c76b198e86 [0,3,0,0,0,0|1,0,0]=4 24911 B12R0.176 CCCC(C)(O)CNC[C@@H](C)CC 23370a05fb4a4295e4e6bf7e15d33c5c [0,3,0,0,0,0|1,0,0]=4 24912 B12R0.176 CCCC(C)(O)CNC[C@H](C)CC 33a32c5175199cd4cb31b2521a48547a [0,3,0,0,0,0|1,0,0]=4 24913 B12R0.176 CCOC(C)(C)COCC(C)CC ab14fdc7a24833df653fcbcaa48c9d3d [0,3,0,0,0,0|1,0,0]=4 24914 B12R0.176 CCOC(C)(C)COC[C@@H](C)CC c254f1e160f614b739ecc3a76c30fbb8 [0,3,0,0,0,0|1,0,0]=4 24915 B12R0.176 CCOC(C)(C)COC[C@H](C)CC 6d05c63c8af00f1f3f213a37d931c544 [0,3,0,0,0,0|1,0,0]=4 24916 B12R0.176 CC[C@@H](C)COCC(C)(C)COC 10a7f77c8c9a6bcaa4c54f90ee961817 [0,3,0,0,0,0|1,0,0]=4 24917 B12R0.176 CC[C@H](C)COCC(C)(C)COC bd857b8728df0de14164e8eb6767f44f [0,3,0,0,0,0|1,0,0]=4 24918 B12R0.265 CCC(CC)COC[C@@H](O)CCO dedcabeebbba46eb62bfd73c2043b669 [0,3,0,0,0,0|1,0,0]=4 24919 B12R0.265 CCC(COC[C@@H](O)CCO)OC 3122aa5adc4e68fbe829a65ce805b23a [0,3,0,0,0,0|1,0,0]=4 24920 B12R0.265 CCCC(=O)COCC(CC)CC e89c7bb385eb9d1a9d7a8e762e12df91 [0,3,0,0,0,0|0,0,1]=4 24921 B12R0.265 CCCC(=O)COCC(CC)OC 6e233643b7b43c653d9f428480e2c6c4 [0,3,0,0,0,0|0,0,1]=4 24922 B12R0.265 CCCC(C)CNCC(CC)CC 9b20eca190586217a77529c9295d34d4 [0,3,0,0,0,0|1,0,0]=4 24923 B12R0.265 CCCC(C)CNCC(CC)CO 288c6e7b68e8db97248e1f169ef5205e [0,3,0,0,0,0|1,0,0]=4 24924 B12R0.265 CCCC(C)COCC(CBr)CBr a2a612ff51039119ff0a5c53e3cbbcc8 [0,3,0,0,0,0|1,0,0]=4 24925 B12R0.265 CCCC(C)COCC(CC)CC 44e27edc133004a0194e2d61d112cec8 [0,3,0,0,0,0|0,0,0]=3 24926 B12R0.265 CCCC(C)COCC(CC)OC 6e1957adf7ca1d0f017fed4c01650bd9 [0,3,0,0,0,0|0,0,0]=3 24927 B12R0.265 CCCC(C)COCC(OC)OC 8633ba52f28bd566b7b16cd37deaf67d [0,3,0,0,0,0|1,0,0]=4 24928 B12R0.265 CCCC(C)COCN(CC)CC 0131316d3119d071caeb33b22738405a [0,3,0,0,0,0|1,0,0]=4 24929 B12R0.265 CCCC(C)NCCC(CC)CC abc53a0623178730ca3b6cdf47c87836 [0,3,0,0,0,0|1,0,0]=4 24930 B12R0.265 CCCC(C)OCCC(OC)OC 678133474129f9413e6a444cce299359 [0,3,0,0,0,0|1,0,0]=4 24931 B12R0.265 CCCC(C)OCCN(CC)CC 8e05653f5fa4d0a96417f4ce334c3c73 [0,3,0,0,0,0|1,0,0]=4 24932 B12R0.265 CCCC(O)CNCC(CC)CC 063bc6ad7dea4caf4ceea63fbeca8278 [0,3,0,0,0,0|1,0,0]=4 24933 B12R0.265 CCCC(O)CNCC(CC)CO 33dbeb9e7a68dc5330964a2ecd6b8097 [0,3,0,0,0,0|1,0,0]=4 24934 B12R0.265 CCC[C@@H](C)OCCC(OC)OC d5f2dfcc367b61d942ba1202ea2a2911 [0,3,0,0,0,0|1,0,0]=4 24935 B12R0.265 CCC[C@H](C)OCCC(OC)OC d31ec7823b3a8d001fcba856d97846da [0,3,0,0,0,0|1,0,0]=4 24936 B12R0.265 CCOC(C)COCC(CC)CC 32eeddbac74377fe95ef3dcad8e4ca09 [0,3,0,0,0,0|1,0,0]=4 24937 B12R0.279 CC(C)C(C)COC[C@@H](O)CCO cf1cc915c9aa19d1df8b75a6932b4623 [0,3,0,0,0,0|1,0,0]=4 24938 B12R0.279 CCCC(=O)COCC(C)C(C)C d92b4ebcd4d7458fddd49f0b703b9fb0 [0,3,0,0,0,0|0,0,1]=4 24939 B12R0.279 CCCC(C)CNCC(O)C(C)C 2a26c4c9f5f6713440c345f3976ace7a [0,3,0,0,0,0|1,0,0]=4 24940 B12R0.279 CCCC(C)COCC(=O)C(C)C 38a54d4bdd4c2edf5e00de7be6c9039b [0,3,0,0,0,0|0,0,1]=4 24941 B12R0.279 CCCC(C)COCC(C)C(=O)C acbc0005e91a6448a90934b5d219bdb2 [0,3,0,0,0,0|0,0,1]=4 24942 B12R0.279 CCCC(C)COCC(C)C(C)C 61d57c187ec9447bac001e1493abf052 [0,3,0,0,0,0|0,0,0]=3 24943 B12R0.279 CCCC(C)COCC(C)N(C)C 17973014e07015934896cbf01c569d54 [0,3,0,0,0,0|1,0,0]=4 24944 B12R0.279 CCCC(C)COC[C@@H](C)N(C)C 246d313e07a6697a99445f5244aa7234 [0,3,0,0,0,0|1,0,0]=4 24945 B12R0.279 CCCC(C)COC[C@H](C)N(C)C 2bb68df6b018df270c461e2a26ab286a [0,3,0,0,0,0|1,0,0]=4 24946 B12R0.279 CCCC(C)OCCC(C)C(C)C 9cf709aeb1c15462901cfff3e2bfea71 [0,3,0,0,0,0|0,0,0]=3 24947 B12R0.279 CCCC(C)OCCC(C)N(C)C 9fa35644268fb767122332507fef59fc [0,3,0,0,0,0|1,0,0]=4 24948 B12R0.279 CCCC(O)CNCC(C)C(C)C 2c2152f701ac752af2e895c146d6923a [0,3,0,0,0,0|1,0,0]=4 24949 B12R0.279 CCOC(C)COCC(C)C(C)C 34e259747bb316c4aba2b774a7221541 [0,3,0,0,0,0|1,0,0]=4 24950 B12R0.279 COCC(C)COCC(C)C(C)C 47065999025c5f3e60e267d67df50346 [0,3,0,0,0,0|1,0,0]=4 24951 B12R0.279 COCC(C)OCCC(C)C(C)C 827cd79a063c084490d66e2ad732bf22 [0,3,0,0,0,0|1,0,0]=4 24952 B12R0.279 COC[C@H](C)COCC(C)C(C)C 71d11e504f2a138a279f94cbab715e13 [0,3,0,0,0,0|1,0,0]=4 24953 B12R0.573 CCC(C)(C)CCOC(C)COC 2c4926570b75aae44f67fee803ec2392 [0,3,0,0,0,0|1,0,0]=4 24954 B12R0.573 CCC(C)(C)CCOC(C)CSC 68b6636240bf614deb6c680b226c88a2 [0,3,0,0,0,0|1,0,0]=4 24955 B12R0.573 CCC(C)(C)CCO[C@@H](C)COC a64b0f5d3ba8d6be869d9233f597cf58 [0,3,0,0,0,0|1,0,0]=4 24956 B12R0.573 CCC(C)(C)CCO[C@H](C)COC b1aa56db775a7d3e462cea6971da57f5 [0,3,0,0,0,0|1,0,0]=4 24957 B12R0.573 CCCC(=O)COCC(F)(F)CC fa967fc86c1a1feb7d935e2435be89c2 [0,3,0,0,0,0|0,0,1]=4 24958 B12R0.573 CCCC(=S)OCCC(C)(C)CC fd8c6e68adee792e140e3cc68665826a [0,3,0,0,0,0|0,0,1]=4 24959 B12R0.573 CCCC(C)CNCC(C)(C)CC 963b2001d2aa569a31b08871d5a7aef2 [0,3,0,0,0,0|1,0,0]=4 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[0,3,0,0,0,0|1,0,0]=4 24971 B12R0.573 CCC[C@H](C)OCCC(C)(C)CC 268ebdd2bf0d976a40de1c5938d445fb [0,3,0,0,0,0|0,0,0]=3 24972 B12R0.573 CCC[C@H](C)OCCS(=O)(=O)CC bf78399dfac667693d6aba9bd0ebde31 [0,3,0,0,0,0|1,0,0]=4 24973 B12R0.72 CC(C)(C)CCOC[C@@H](O)CCO 1c51ecd27fb5acb43c692c47c8c1ff41 [0,3,0,0,0,0|1,0,0]=4 24974 B12R0.72 CC(C)(S)CCOC[C@@H](O)CCO ce55c0c3f3ac4ec85e693f0fd0520743 [0,3,0,0,0,0|1,0,0]=4 24975 B12R0.72 CC(F)(F)CCOC[C@@H](O)CCO 06ca13979238cd72cc3811c558d1159b [0,3,0,0,0,0|1,0,0]=4 24976 B12R0.72 CCCC(=O)COCCC(C)(C)C 7bcafe54e04e7d6da17d1cfb57b85361 [0,3,0,0,0,0|0,0,1]=4 24977 B12R0.72 CCCC(=O)COCCC(C)(C)S c8d0ec0778f711f6f8dbe5d20cc38d85 [0,3,0,0,0,0|0,0,1]=4 24978 B12R0.72 CCCC(=O)COCCC(C)(F)F 2a8b94cb200eb9301b4d02f0fefdcdde [0,3,0,0,0,0|0,0,1]=4 24979 B12R0.72 CCCC(=S)OCCCC(C)(C)O 01361770761edace9aa7fad01aee9ba9 [0,3,0,0,0,0|0,0,1]=4 24980 B12R0.72 CCCC(=S)OCCCC(C)(F)F b7cbef6122f0628222cf84906f677d5f [0,3,0,0,0,0|0,0,1]=4 24981 B12R0.72 CCCC(C)CNCCC(C)(C)C 6eb2831a566873d779ee3e44a4e65d00 [0,3,0,0,0,0|1,0,0]=4 24982 B12R0.72 CCCC(C)CNCCC(C)(C)O cb139bbdd9ce31298d00405dd5098492 [0,3,0,0,0,0|1,0,0]=4 24983 B12R0.72 CCCC(C)COCCC(C)(C)C bbe5ea576c0e2ec347421dbdda5662c9 [0,3,0,0,0,0|0,0,0]=3 24984 B12R0.72 CCCC(C)COCCC(C)(C)O 6b96b0602d202f24720469a996e5d36d [0,3,0,0,0,0|0,0,0]=3 24985 B12R0.72 CCCC(C)COCCC(C)(C)S a9c98d9a5261b705075820cd567588b3 [0,3,0,0,0,0|0,0,0]=3 24986 B12R0.72 CCCC(C)COCCC(C)(F)F 5369bd36f0688097e50f8ed1985f5d26 [0,3,0,0,0,0|0,0,0]=3 24987 B12R0.72 CCCC(C)COCCC(F)(F)F fa830f545e18aada0bcfd557c8749a5d [0,3,0,0,0,0|1,0,0]=4 24988 B12R0.72 CCCC(C)COCCS(=N)(=O)C 28c20045dcb6f496f9156e8b7f21d891 [0,3,0,0,0,0|1,0,0]=4 24989 B12R0.72 CCCC(C)COCCS(=O)(=O)C 736be62a3aab49f4ca3cd4ddc48c11f5 [0,3,0,0,0,0|1,0,0]=4 24990 B12R0.72 CCCC(C)NCCCC(C)(C)C ae19e0631e5af5fb651c9bb7ed66fdee [0,3,0,0,0,0|1,0,0]=4 24991 B12R0.72 CCCC(C)NCCCC(C)(C)O d4aadaafda1017b9584ee6ad81dc55dd [0,3,0,0,0,0|1,0,0]=4 24992 B12R0.72 CCCC(C)NCCCC(C)(F)F cd93bf2a303461650896b9c53faa2d24 [0,3,0,0,0,0|1,0,0]=4 24993 B12R0.72 CCCC(C)OCCCC(C)(C)C 40f767be22fbb561744e7cb6397f6bbe [0,3,0,0,0,0|0,0,0]=3 24994 B12R0.72 CCCC(C)OCCCC(C)(C)O eb2d231ee06273860f24c96ddf2973d7 [0,3,0,0,0,0|0,0,0]=3 24995 B12R0.72 CCCC(C)OCCCC(C)(F)F 41f8ef6f34ff553105a36bc8276c0582 [0,3,0,0,0,0|0,0,0]=3 24996 B12R0.72 CCCC(C)OCCCC(F)(F)F cc038bb89c391e44278f4e057b4e950f [0,3,0,0,0,0|1,0,0]=4 24997 B12R0.72 CCCC(C)OCCCS(=O)(=O)C 53440952adeb297bb1523d48f05d48d0 [0,3,0,0,0,0|1,0,0]=4 24998 B12R0.72 CCCC(C)OCCOC(C)(C)C a0d95a94bd348a96ebc4688c2d876797 [0,3,0,0,0,0|1,0,0]=4 24999 B12R0.72 CCCC(C)OCCSC(C)(C)C e0dd16131a9e988ce53bb059ec96d7e5 [0,3,0,0,0,0|1,0,0]=4 25000 B12R0.72 CCCC(O)CNCCC(C)(C)C c8e4af2bdeef05db1bf9a5dede4758a6 [0,3,0,0,0,0|1,0,0]=4 25001 B12R0.72 CCCC(O)CNCCC(C)(C)O fa2baf96bd85152b578ad15d5bba20ec [0,3,0,0,0,0|1,0,0]=4 25002 B12R0.72 CCCC(O)CNCCC(C)(F)F 2d3b3e897a8f78fd4272e274347897fb [0,3,0,0,0,0|1,0,0]=4 25003 B12R0.72 CCC[C@@H](C)OCCCC(C)(C)O b45da7ae9b988aefa88b26e31a4aaafb [0,3,0,0,0,0|0,0,0]=3 25004 B12R0.72 CCC[C@@H](C)OCCCC(C)(F)F b6625eac1c1c7c7e1a8b1f205915c4cf [0,3,0,0,0,0|0,0,0]=3 25005 B12R0.72 CCC[C@@H](C)OCCCC(F)(F)F ea7fc296ec4dbb290792af3388d95b34 [0,3,0,0,0,0|1,0,0]=4 25006 B12R0.72 CCC[C@@H](C)OCCCS(=O)(=O)C 2379faf7d105d82a8f4ebbdfd747308d [0,3,0,0,0,0|1,0,0]=4 25007 B12R0.72 CCC[C@@H](C)OCCOC(C)(C)C 9a8d0875da6918aa82e161c13c83c489 [0,3,0,0,0,0|1,0,0]=4 25008 B12R0.72 CCC[C@@H](C)OCCSC(C)(C)C cd6a22d044b14c4c023c7b79c241d4bc [0,3,0,0,0,0|1,0,0]=4 25009 B12R0.72 CCC[C@H](C)NCCCC(C)(C)O 06fb2de8f4ccd7700f188d5de22e05e9 [0,3,0,0,0,0|1,0,0]=4 25010 B12R0.72 CCC[C@H](C)NCCCC(C)(F)F 23c38158c4ea575a3d6d4a1f0e69db7e [0,3,0,0,0,0|1,0,0]=4 25011 B12R0.72 CCC[C@H](C)OCCCC(C)(C)O f0b630a9b39be12540340c77daec2aac [0,3,0,0,0,0|0,0,0]=3 25012 B12R0.72 CCC[C@H](C)OCCCC(C)(F)F b5fc2ee21249022356b8b2c733d3e912 [0,3,0,0,0,0|0,0,0]=3 25013 B12R0.72 CCC[C@H](C)OCCCC(F)(F)F 0b72005e5f45a6376bacd8ea8becd934 [0,3,0,0,0,0|1,0,0]=4 25014 B12R0.72 CCC[C@H](C)OCCCS(=O)(=O)C 4b3fd043a02d9d9475bf5859bc7d6395 [0,3,0,0,0,0|1,0,0]=4 25015 B12R0.72 CCC[C@H](C)OCCOC(C)(C)C 6f79406ad399c1e42da08a0ad5d36ad4 [0,3,0,0,0,0|1,0,0]=4 25016 B12R0.72 CCC[C@H](C)OCCSC(C)(C)C d7006f6da2c81771387b90013c8e0095 [0,3,0,0,0,0|1,0,0]=4 25017 B12R0.72 CCOC(C)COCCC(C)(C)C e2fa1c842657b7c251df45ac9e8466a7 [0,3,0,0,0,0|1,0,0]=4 25018 B12R0.72 CCOC(C)COCCC(C)(C)O f34155230b11723250cae03c9f309c71 [0,3,0,0,0,0|1,0,0]=4 25019 B12R0.72 CCOC(C)COCCC(C)(F)F bbbeaf798938d37f8d8f0654f6a88401 [0,3,0,0,0,0|1,0,0]=4 25020 B12R0.72 COCC(C)COCCC(C)(C)C 232b4c2eede094166c4dfe539a370fe2 [0,3,0,0,0,0|1,0,0]=4 25021 B12R0.72 COCC(C)COCCC(C)(C)O d516c388d7aff245051d50a3cecfa5f8 [0,3,0,0,0,0|1,0,0]=4 25022 B12R0.72 COCC(C)COCCC(C)(F)F 03c950e4f26aca8154260b270c712c2d [0,3,0,0,0,0|1,0,0]=4 25023 B12R0.72 COCC(C)OCCCC(C)(C)C e138fe69b0e369dd150e680eb7a531b3 [0,3,0,0,0,0|1,0,0]=4 25024 B12R0.72 COCC(C)OCCCC(C)(C)O c7dd01193259b4f600bb4a2ee83b977e [0,3,0,0,0,0|1,0,0]=4 25025 B12R0.72 COCC(C)OCCCC(C)(F)F 0a48c7bf5ae36b78ed84a173879880dc [0,3,0,0,0,0|1,0,0]=4 25026 B12R0.72 COC[C@@H](C)OCCCC(C)(C)O 85aa8dd4e6d4c2e2843f7fabcbb60093 [0,3,0,0,0,0|1,0,0]=4 25027 B12R0.72 COC[C@@H](C)OCCCC(C)(F)F 52826da216cc42026ae03fc9faddeec6 [0,3,0,0,0,0|1,0,0]=4 25028 B12R0.72 COC[C@H](C)COCCC(C)(C)C fd526b4f88b01f11ecc228e5935aae7a [0,3,0,0,0,0|1,0,0]=4 25029 B12R0.72 COC[C@H](C)COCCC(C)(C)O fa3729f5cafbe181774432e851f392e1 [0,3,0,0,0,0|1,0,0]=4 25030 B12R0.72 COC[C@H](C)COCCC(C)(F)F aec64b77f57b2e95e9d0bbc95238fbd8 [0,3,0,0,0,0|1,0,0]=4 25031 B12R0.72 COC[C@H](C)OCCCC(C)(C)O 1c3942f7c9b33b5ae14db4d7a473ee94 [0,3,0,0,0,0|1,0,0]=4 25032 B12R0.72 COC[C@H](C)OCCCC(C)(F)F 54ca9ffd19216123dadc1d9c2afba37a [0,3,0,0,0,0|1,0,0]=4 25033 B12R0.72 CSCC(C)OCCCC(C)(C)O 5840fb05669ff0e1948006a8c1fcaaa4 [0,3,0,0,0,0|1,0,0]=4 25034 B12R0.72 CSCC(C)OCCCC(C)(F)F 6ddff9e841e6bf02f8eefa24b7340881 [0,3,0,0,0,0|1,0,0]=4 25035 B12R0.172 CCCC(C)(O)CNCCC(C)C bb2b3ed8d2677780fb8b0225169bf966 [0,3,0,0,0,0|1,0,0]=4 25036 B12R0.172 CCCC(C)(O)CNCCC(C)O 31d993ada1ee63129237822b5fbeab7b [0,3,0,0,0,0|1,0,0]=4 25037 B12R0.172 CCOC(C)(C)COCCC(C)C b1ae708c8cc85cccdc82e6d80f039cf4 [0,3,0,0,0,0|1,0,0]=4 25038 B12R0.172 COCC(C)(C)COCCC(C)C 3c882c515a5a71126ca87a421457beb6 [0,3,0,0,0,0|1,0,0]=4 25039 B12R0.42 C=C(C)CCCOCC(C)C(C)C cc87f78ed058221beeb9aad23ee78b2b [0,3,0,0,0,0|0,0,1]=4 25040 B12R0.42 C=C(C)CCOCCC(C)C(C)C cda326d65e031a3fc168b1b463a1f3e3 [0,3,0,0,0,0|0,0,1]=4 25041 B12R0.42 CC(=O)C(C)CCOCCC(C)C f5c2992973d5b6906681c8c923be2b0d [0,3,0,0,0,0|0,0,1]=4 25042 B12R0.42 CC(=O)C(C)COCCCC(C)C c94559cce882f2cf8207e93ee83a9586 [0,3,0,0,0,0|0,0,1]=4 25043 B12R0.42 CC(=O)CCCOCC(C)C(C)C 0cbd5742278c869a0e6fc27dfd951cab [0,3,0,0,0,0|0,0,1]=4 25044 B12R0.42 CC(=O)CCOCCC(C)C(C)C 05b828990f959f14b05dbb802a3cc496 [0,3,0,0,0,0|0,0,1]=4 25045 B12R0.42 CC(C)C(C)CCOCCN(C)C 1f2d7e731578e371efdf697dcc6a0fe6 [0,3,0,0,0,0|1,0,0]=4 25046 B12R0.42 CC(C)C(C)CCOCCS(=O)C f5095bca5b39d35cd5509494758c549a [0,3,0,0,0,0|1,0,0]=4 25047 B12R0.42 CC(C)C(C)COCCCN(C)C ff341293698ad73230cc68ca9b49050a [0,3,0,0,0,0|1,0,0]=4 25048 B12R0.42 CC(C)CCCNCC(C)C(C)C b3cf7bd78a2903f138b5cb5938adb7d6 [0,3,0,0,0,0|1,0,0]=4 25049 B12R0.42 CC(C)CCCNCC(O)C(C)C 8996b834959d21a98c3da71ba195b7d0 [0,3,0,0,0,0|1,0,0]=4 25050 B12R0.42 CC(C)CCCOCC(=O)C(C)C d04c0bb7c3904d1aa2d344bc8b937708 [0,3,0,0,0,0|0,0,1]=4 25051 B12R0.42 CC(C)CCCOCC(C)C(C)C 7cc4008a87b89af8b9225ead22a907f4 [0,3,0,0,0,0|0,0,0]=3 25052 B12R0.42 CC(C)CCCOCC(C)N(C)C a1e78fc5245d5c1c0bfd19e2f14d6b2b [0,3,0,0,0,0|1,0,0]=4 25053 B12R0.42 CC(C)CCCOC[C@@H](C)N(C)C 335cd2412fd35a86c7b065dd7eea92a7 [0,3,0,0,0,0|1,0,0]=4 25054 B12R0.42 CC(C)CCCOC[C@H](C)N(C)C bf500bddd8c1dfef000490cc0dd18289 [0,3,0,0,0,0|1,0,0]=4 25055 B12R0.42 CC(C)CCOCCC(C)C(C)C 6630c10868f93db488118bca5677e3ae [0,3,0,0,0,0|0,0,0]=3 25056 B12R0.42 CC(C)CCOCCC(C)N(C)C 243efaa6fb37c407dc19751b0503fbf3 [0,3,0,0,0,0|1,0,0]=4 25057 B12R0.42 CC(C)OCCOCC(C)C(C)C 186bdc192bf4d0e620654dcd380cebb4 [0,3,0,0,0,0|1,0,0]=4 25058 B12R0.42 CC(C)OCOCCC(C)C(C)C 3ac5bd29fbd6995ccd9afdde552cf191 [0,3,0,0,0,0|1,0,0]=4 25059 B12R0.42 CC(C)SCCOCC(C)C(C)C f3941434b6c512292463ba185b04fada [0,3,0,0,0,0|1,0,0]=4 25060 B12R0.42 CC(O)CCCNCC(O)C(C)C 63d4afda8d640c27436177150e0cb1be [0,3,0,0,0,0|1,0,0]=4 25061 B12R0.44 C=C(C)CCOC(C)CCC(C)C 631c7392fcf3af5d92ec6d23d79b077b [0,3,0,0,0,0|0,0,1]=4 25062 B12R0.44 CC(=O)CCOC(C)CCC(C)C d7bc1a60808f662bb7855842d131397c [0,3,0,0,0,0|0,0,1]=4 25063 B12R0.44 CC(C)CCC(C)NCCC(C)O be30a50724433eee06dd6ced674fee4b [0,3,0,0,0,0|1,0,0]=4 25064 B12R0.44 CC(C)CCC(C)NCC[C@@H](C)O 3f2f2b8582b58ab83facac82d0779647 [0,3,0,0,0,0|1,0,0]=4 25065 B12R0.44 CC(C)CCC(C)NCC[C@H](C)O 20728353f715b4c452d938e3a0345608 [0,3,0,0,0,0|1,0,0]=4 25066 B12R0.44 CC(C)CCC(C)OCCC(F)F 3441861beebad4cc866c0aa6c09e481f [0,3,0,0,0,0|1,0,0]=4 25067 B12R0.44 CC(C)CCC(C)OCCN(C)C 199ab15378a30d59c5e64a1d72a67779 [0,3,0,0,0,0|1,0,0]=4 25068 B12R0.44 CC(C)CCC(C)OCCS(=O)C 03872660cb8b7756815512253dfbaa15 [0,3,0,0,0,0|1,0,0]=4 25069 B12R0.44 CC(C)CCC(C)OCOC(C)C 88251cc1a3b44f7022215d59bb36aef1 [0,3,0,0,0,0|1,0,0]=4 25070 B12R0.44 CC(C)CCCN(C)CCC(C)C 0cc017ac54fd0724a23ec2ded54ee8e0 [0,3,0,0,0,0|1,0,0]=4 25071 B12R0.44 CC(C)CCCN(C)CCC(C)O 31f4486f37a3949b25669450bca5e688 [0,3,0,0,0,0|1,0,0]=4 25072 B12R0.44 CC(C)CCN(C)CCCC(C)O cf04ff9edd5535697fd49c5bb42f05ff [0,3,0,0,0,0|1,0,0]=4 25073 B12R0.44 CC(C)CCNC(C)CCC(C)C c8740c131807d4c72f9fefc88b533d11 [0,3,0,0,0,0|1,0,0]=4 25074 B12R0.44 CC(C)CCOC(C)CCC(C)C e5387a27b648858579643337a26c6a82 [0,3,0,0,0,0|0,0,0]=3 25075 B12R0.44 CC(C)CCOC(C)CCN(C)C 6d8676f9813860825a87c4dc2a428ca1 [0,3,0,0,0,0|1,0,0]=4 25076 B12R0.44 CC(C)CCOC(C)COC(C)C 91cb66e4489a8ff7c17f4958ac3b4f17 [0,3,0,0,0,0|1,0,0]=4 25077 B12R0.44 CC(C)CCO[C@@H](C)COC(C)C dcccc821e5d1b78f44b266b7bd3b4c62 [0,3,0,0,0,0|1,0,0]=4 25078 B12R0.44 CC(O)CCCN(C)CCC(C)O 88e582809cadbe35310bf9d610d07f09 [0,3,0,0,0,0|1,0,0]=4 25079 B12R0.137 C=C(C)CCCOCCC(C)(C)C 1fa02000f03ce9d8e4584c8866f57be7 [0,3,0,0,0,0|0,0,1]=4 25080 B12R0.137 C=C(C)CCCOCCC(C)(C)O 0c59685c776fb041210b6c1c8c492232 [0,3,0,0,0,0|0,0,1]=4 25081 B12R0.137 C=C(C)CCCOCCC(C)(C)S c5568970ab061b8d495b272b5142a592 [0,3,0,0,0,0|0,0,1]=4 25082 B12R0.137 C=C(C)CCCOCCC(C)(F)F 7800bf7d1a901b892ed023a658c18ece [0,3,0,0,0,0|0,0,1]=4 25083 B12R0.137 C=C(C)CCOCCCC(C)(C)C 9b6079afad77a2d5fc68d7ded70ddcfa [0,3,0,0,0,0|0,0,1]=4 25084 B12R0.137 C=C(C)CCOCCCC(C)(C)O c4059854f388d76ee1f1f60cd4018610 [0,3,0,0,0,0|0,0,1]=4 25085 B12R0.137 C=C(C)CCOCCCC(C)(F)F 9415eedc92ebc9382bf6aa6d5239a5a3 [0,3,0,0,0,0|0,0,1]=4 25086 B12R0.137 CC(=O)CCCOCCC(C)(C)C bb312a2d2a23b81364c52826fe77c6b0 [0,3,0,0,0,0|0,0,1]=4 25087 B12R0.137 CC(=O)CCCOCCC(C)(C)O 8f7bbed8a1c99e41c07f59ec9cd2aef3 [0,3,0,0,0,0|0,0,1]=4 25088 B12R0.137 CC(=O)CCCOCCC(C)(C)S 6c20ca9c4746d35a5b9ccae627575c65 [0,3,0,0,0,0|0,0,1]=4 25089 B12R0.137 CC(=O)CCCOCCC(C)(F)F 4d27aff8effb99887c82000d29a833b6 [0,3,0,0,0,0|0,0,1]=4 25090 B12R0.137 CC(=O)CCOCCCC(C)(C)C ddca6d84e95bd4e7b933cf40fe634158 [0,3,0,0,0,0|0,0,1]=4 25091 B12R0.137 CC(=O)CCOCCCC(C)(C)O acb0ee88c79c08d3f09e21625f056ade [0,3,0,0,0,0|0,0,1]=4 25092 B12R0.137 CC(=O)CCOCCCC(C)(F)F 8832909feec6e8571abb7c1739ad4b86 [0,3,0,0,0,0|0,0,1]=4 25093 B12R0.137 CC(C)(O)CCCOCCC(F)F 348a4ad8a07daa3141a202fedcf81831 [0,3,0,0,0,0|1,0,0]=4 25094 B12R0.137 CC(C)CCCNCCC(C)(C)C 8d4e8177f855d12981ff245352608aea [0,3,0,0,0,0|1,0,0]=4 25095 B12R0.137 CC(C)CCCNCCC(C)(C)F 01cb140adb05db64102c49692ee36ae8 [0,3,0,0,0,0|1,0,0]=4 25096 B12R0.137 CC(C)CCCNCCC(C)(C)O 8284b40be50bb5c16c2a031ddd604a35 [0,3,0,0,0,0|1,0,0]=4 25097 B12R0.137 CC(C)CCCNCCC(C)(F)F 12a94b182bec969d6d702fa5ab9f1954 [0,3,0,0,0,0|1,0,0]=4 25098 B12R0.137 CC(C)CCCOCCC(C)(C)C b5e0280ea2c25a8fb1f76c6cebeafd29 [0,3,0,0,0,0|0,0,0]=3 25099 B12R0.137 CC(C)CCCOCCC(C)(C)O e97062859df9e3ce90a02f2049e5c93d [0,3,0,0,0,0|0,0,0]=3 25100 B12R0.137 CC(C)CCCOCCC(C)(C)S 46528b5d17a5c61659f864489a6f2518 [0,3,0,0,0,0|0,0,0]=3 25101 B12R0.137 CC(C)CCCOCCC(C)(F)F 24ee7c4c52c6f9321c0350c32ea29f45 [0,3,0,0,0,0|0,0,0]=3 25102 B12R0.137 CC(C)CCCOCCC(F)(F)F d410107cd389f70a6c3f2428f82bc1d6 [0,3,0,0,0,0|1,0,0]=4 25103 B12R0.137 CC(C)CCCOCCS(=N)(=O)C 5c60350d2516d16a8ddf72e59d25a08e [0,3,0,0,0,0|1,0,0]=4 25104 B12R0.137 CC(C)CCCOCCS(=O)(=O)C d63dff71d78942957b0e6ab6eae0bab1 [0,3,0,0,0,0|1,0,0]=4 25105 B12R0.137 CC(C)CCNCCCC(C)(C)C 4db12b0628b986e089f424a73a788c23 [0,3,0,0,0,0|1,0,0]=4 25106 B12R0.137 CC(C)CCNCCCC(C)(C)O 2b920985b4cfce9c2840adbce88f5a29 [0,3,0,0,0,0|1,0,0]=4 25107 B12R0.137 CC(C)CCNCCCC(C)(F)F 9ca13080fc282ffb022de63f7718e21f [0,3,0,0,0,0|1,0,0]=4 25108 B12R0.137 CC(C)CCOCCCC(C)(C)C 9c736431d3960ed906ed7c0763528a71 [0,3,0,0,0,0|0,0,0]=3 25109 B12R0.137 CC(C)CCOCCCC(C)(C)O a896a42e24954250c4e0ddce4c46ea58 [0,3,0,0,0,0|0,0,0]=3 25110 B12R0.137 CC(C)CCOCCCC(C)(F)F 519b3addfa6f5f53990c8c658b4cdd8f [0,3,0,0,0,0|0,0,0]=3 25111 B12R0.137 CC(C)CCOCCCC(F)(F)F 3ade2d2b94deff3b1fbc674de34b3197 [0,3,0,0,0,0|1,0,0]=4 25112 B12R0.137 CC(C)CCOCCCS(=O)(=O)C 548a19a5eccb2b1156f75fadaf6e0187 [0,3,0,0,0,0|1,0,0]=4 25113 B12R0.137 CC(C)CCOCCOC(C)(C)C 58f31ddd56ee02bb0e7404e216126061 [0,3,0,0,0,0|1,0,0]=4 25114 B12R0.137 CC(C)CCOCCSC(C)(C)C 8083e76140b989c0cf0eb3abddd64fb3 [0,3,0,0,0,0|1,0,0]=4 25115 B12R0.137 CC(C)OCCOCCC(C)(C)C 863d8d434abed92e7e45e50af3fbfd96 [0,3,0,0,0,0|1,0,0]=4 25116 B12R0.137 CC(C)OCCOCCC(C)(C)O 6959381e5c99b04c214e919a6e12d0c2 [0,3,0,0,0,0|1,0,0]=4 25117 B12R0.137 CC(C)OCCOCCC(C)(C)S 8bc21629510b6db4969da66affeae829 [0,3,0,0,0,0|1,0,0]=4 25118 B12R0.137 CC(C)OCCOCCC(C)(F)F 996b5bd54ccb619c2baf2e774efec493 [0,3,0,0,0,0|1,0,0]=4 25119 B12R0.137 CC(C)OCOCCCC(C)(C)C 9892bbf04c42f86f95cc68265051cc90 [0,3,0,0,0,0|1,0,0]=4 25120 B12R0.137 CC(C)SCCOCCC(C)(C)C 477752c62819728cb342204ed2d414fa [0,3,0,0,0,0|1,0,0]=4 25121 B12R0.137 CC(C)SCCOCCC(C)(C)O 8c64aa6850011c9ba950ba76a1e9af79 [0,3,0,0,0,0|1,0,0]=4 25122 B12R0.137 CC(C)SCCOCCC(C)(C)S 8f55bb3a5150ebc9e28618dc3816e41e [0,3,0,0,0,0|1,0,0]=4 25123 B12R0.137 CC(C)SCCOCCC(C)(F)F a4e426e74ab8b2bbed66246b3e31c33a [0,3,0,0,0,0|1,0,0]=4 25124 B12R0.137 CC(F)(F)CCCOCCC(F)F 45ae3f89d9b420dc5b2285d8b5effa71 [0,3,0,0,0,0|1,0,0]=4 25125 B12R0.137 CC(O)CCCNCCC(C)(C)C 261c393c8734bd491d0fb16a80f8e850 [0,3,0,0,0,0|1,0,0]=4 25126 B12R0.137 CC(O)CCCNCCC(C)(C)F 9bd70b64d02698844d915477d3504433 [0,3,0,0,0,0|1,0,0]=4 25127 B12R0.137 CC(O)CCCNCCC(C)(C)O 16626eefbbe5139636481d8d5403ed80 [0,3,0,0,0,0|1,0,0]=4 25128 B12R0.137 CC(O)CCNCCCC(C)(C)C 079a271c26edf43c0816a8645503feeb [0,3,0,0,0,0|1,0,0]=4 25129 B12R0.137 CC(O)CCNCCCC(C)(C)O b840feb00d41aae458f92c6021e753d3 [0,3,0,0,0,0|1,0,0]=4 25130 B12R0.137 CC(O)CCNCCCC(C)(F)F ddbc7e3ca195be91b821218de46ab4cf [0,3,0,0,0,0|1,0,0]=4 25131 B12R0.137 CN(C)CCCOCCC(C)(C)C 2839109e84427979c67553f3c39b2754 [0,3,0,0,0,0|1,0,0]=4 25132 B12R0.137 CN(C)CCCOCCC(C)(C)O d7e260242e674ca6219dc0312d8bbdf1 [0,3,0,0,0,0|1,0,0]=4 25133 B12R0.137 CN(C)CCCOCCC(C)(C)S 30f6617857f8fb1815ce5d2455a3bf89 [0,3,0,0,0,0|1,0,0]=4 25134 B12R0.137 CN(C)CCCOCCC(C)(F)F 288d68523a6179dd0a7f59ff3595b92a [0,3,0,0,0,0|1,0,0]=4 25135 B12R0.137 CN(C)CCOCCCC(C)(C)C 51bc2733e7ce85c26431fb4515ef055c [0,3,0,0,0,0|1,0,0]=4 25136 B12R0.137 CN(C)CCOCCCC(C)(C)O 78994f8a4bfdd916492039bf1f586296 [0,3,0,0,0,0|1,0,0]=4 25137 B12R0.137 CN(C)CCOCCCC(C)(F)F cdb042906110317821c99b13db3ac4db [0,3,0,0,0,0|1,0,0]=4 25138 B12R0.137 CS(=O)CCOCCCC(C)(C)C 7a4e05003ab22526837f1cd77c00d8d8 [0,3,0,0,0,0|1,0,0]=4 25139 B12R0.137 CS(=O)CCOCCCC(C)(C)O a27b915962dce3ee7b64a070b5c66357 [0,3,0,0,0,0|1,0,0]=4 25140 B12R0.137 CS(=O)CCOCCCC(C)(F)F 08a185684275d9e370af344d63fab5bc [0,3,0,0,0,0|1,0,0]=4 25141 B12R0.137 C[C@@H](O)CCNCCCC(C)(C)O a66bd4a09b82f92d88981a6973fde30b [0,3,0,0,0,0|1,0,0]=4 25142 B12R0.137 C[C@@H](O)CCNCCCC(C)(F)F c439a4caf855307374936a127adfb6c9 [0,3,0,0,0,0|1,0,0]=4 25143 B12R0.137 C[C@H](O)CCNCCCC(C)(C)O 8c532eb99e3f52ca0f2f86b673587522 [0,3,0,0,0,0|1,0,0]=4 25144 B12R0.137 C[C@H](O)CCNCCCC(C)(F)F 546ec6279a8343184ee8c805aa7ed271 [0,3,0,0,0,0|1,0,0]=4 25145 B12R0.184 C=C(C)CCCNCCC(C)CC 501cc7e7730ad8e65b0ca88bb6f4b5e8 [0,3,0,0,0,0|1,0,0]=4 25146 B12R0.184 C=C(C)CCCOCCC(C)CC 3b10c58924f874b4c802aca5ec0203e7 [0,3,0,0,0,0|0,0,0]=3 25147 B12R0.184 C=C(C)CCCOCCC(C)OC 369cd0e1c715d57c02a1659c74f4ef0d [0,3,0,0,0,0|0,0,1]=4 25148 B12R0.184 C=C(C)CCCOCCC(S)CC 79a51e5fe8f797bca382a8230f97b59e [0,3,0,0,0,0|0,0,0]=3 25149 B12R0.184 C=C(C)CCCOCC[C@@H](C)CC 71a520ce7948cf89007822155e6b0e33 [0,3,0,0,0,0|0,0,0]=3 25150 B12R0.184 C=C(C)CCOCCCC(C)CC 55cf8cae43ebb962a3a0694e769c66e6 [0,3,0,0,0,0|0,0,1]=4 25151 B12R0.184 C=C(C)CCOCCCN(C)CC ad1b727279e7299627716f65c03c8172 [0,3,0,0,0,0|0,0,1]=4 25152 B12R0.184 C=C(C)CCOCCC[C@@H](C)CC ea199e7bf0b728e568e0c0a857aaae45 [0,3,0,0,0,0|0,0,1]=4 25153 B12R0.184 C=C(C)COCCOCC(C)CC 3d1823903f263046710621b0901555f2 [0,3,0,0,0,0|0,0,1]=4 25154 B12R0.184 C=C(C)COCCOC[C@@H](C)CC 4729d05889b38df23dfa3db5b4f85a89 [0,3,0,0,0,0|0,0,1]=4 25155 B12R0.184 C=C(C)COCCOC[C@H](C)CC a61694c0ee39478821e791e4a50eba71 [0,3,0,0,0,0|0,0,1]=4 25156 B12R0.184 C=C(CC)COCCCCC(=O)C 30ff1ef7408bebf324da7d7f1eba9595 [0,3,0,0,0,0|0,0,1]=4 25157 B12R0.184 C=C(CC)COCCCCC(C)C 71844a66efbe591e557d068f0f44fb00 [0,3,0,0,0,0|0,0,1]=4 25158 B12R0.184 C=C(CC)COCCCCN(C)C b17db7a582df66dbff675d02eb75d7be [0,3,0,0,0,0|0,0,1]=4 25159 B12R0.184 C=C(CC)COCCCOC(C)C 82a4cd2c24406c1585826eee202a9f60 [0,3,0,0,0,0|0,0,1]=4 25160 B12R0.184 C=C(CC)COCCCSC(C)C fa268b536aee9dc5cd70017f5da07894 [0,3,0,0,0,0|0,0,1]=4 25161 B12R0.184 C=C(CC)COCCOCC(C)C c1e820fa305fe0aed2240ed11cc290b7 [0,3,0,0,0,0|0,0,1]=4 25162 B12R0.184 C=C(CC)COCCSCC(C)C 4cd46162a3281a257cbcacd6cf1d66f2 [0,3,0,0,0,0|0,0,1]=4 25163 B12R0.184 CC(=O)CCCCOCC(Br)CBr c9588deaebba35d1f65e7664af170dda [0,3,0,0,0,0|1,0,0]=4 25164 B12R0.184 CC(=O)CCCCOCC(Cl)CCl 5f06b0aab7f404322d3cbb8027408072 [0,3,0,0,0,0|1,0,0]=4 25165 B12R0.184 CC(=O)CCCCOCC(O)CO 4d30d2b1106cac076299aca9a1669382 [0,3,0,0,0,0|1,0,0]=4 25166 B12R0.184 CC(=O)CCCCOCC(S)CS f4b24e3c2c24161ebf6993804ba0d2cd [0,3,0,0,0,0|1,0,0]=4 25167 B12R0.184 CC(=O)CCCCOC[C@@H](O)CO 32ed8ed254fb65441eb2ab3822140016 [0,3,0,0,0,0|1,0,0]=4 25168 B12R0.184 CC(=O)CCCCOC[C@H](O)CO e19f19270ee4bd9759b463b80df776ce [0,3,0,0,0,0|1,0,0]=4 25169 B12R0.184 CC(C)CCCCOCC(Br)CBr 027a992701c67e0c5787427e5cf5bd56 [0,3,0,0,0,0|1,0,0]=4 25170 B12R0.184 CC(C)CCCCOCC(Cl)CCl e71ff84a872020d9ddf63298385237cb [0,3,0,0,0,0|1,0,0]=4 25171 B12R0.184 CC(C)CCCCOCC(O)CO 8ca613d08a3d96d4e9d0057e5355dd96 [0,3,0,0,0,0|1,0,0]=4 25172 B12R0.184 CC(C)CCCCOCC(S)CS 2aabdf81653178e7de11e6eca94db231 [0,3,0,0,0,0|1,0,0]=4 25173 B12R0.184 CC(C)CCCCOC[C@@H](O)CO a14ac336a519cc9a5d4f0596a575d6cf [0,3,0,0,0,0|1,0,0]=4 25174 B12R0.184 CC(C)CCCCOC[C@H](O)CO 2fea5a2f46aa78c99a0b4956a022153a [0,3,0,0,0,0|1,0,0]=4 25175 B12R0.184 CC(C)CCCNCCC(C)CO e5e7405bff0353dd2e4dc3860849e328 [0,3,0,0,0,0|1,0,0]=4 25176 B12R0.184 CC(C)CCCNCCC(O)CO d325ebf819679ce278869a81e37a526d [0,3,0,0,0,0|1,0,0]=4 25177 B12R0.184 CC(C)CCCNCC[C@@H](C)CO 9b77f604455dcbe34217e7a3639aa7cf [0,3,0,0,0,0|1,0,0]=4 25178 B12R0.184 CC(C)CCCOCCN(C)C#N 2449c3332c3330f88482fa3647d17919 [0,3,0,0,0,0|1,0,0]=4 25179 B12R0.184 CC(C)CCCOCCN(C)C=O 275b21f634da6b62824031299570b733 [0,3,0,0,0,0|1,0,0]=4 25180 B12R0.184 CC(C)CCNCCCC(C)CO 3315684c11d42dc5245405ed31930f76 [0,3,0,0,0,0|1,0,0]=4 25181 B12R0.184 CC(C)CCOCCOC(C)C#N 101c23e5051568c5861ca4889a619466 [0,3,0,0,0,0|1,0,0]=4 25182 B12R0.184 CC(C)COCCOCC(Br)CBr 055bf81d3abbca2c8887dec3d0a32c0b [0,3,0,0,0,0|1,0,0]=4 25183 B12R0.184 CC(C)COCCOCC(Cl)CCl 1c6d17c348fc5a52a4c8eba299d973c8 [0,3,0,0,0,0|1,0,0]=4 25184 B12R0.184 CC(C)COCCOCC(O)CO 841e13ef4e1a6ccf78fa45d89a172c9d [0,3,0,0,0,0|1,0,0]=4 25185 B12R0.184 CC(C)COCCOCC(S)CS d5681c0b7c8bb84c0ca4be9dae3e4bbd [0,3,0,0,0,0|1,0,0]=4 25186 B12R0.184 CC(C)COCCOC[C@@H](O)CO 811404f8a4a26f58b8e09f87b1df4d67 [0,3,0,0,0,0|1,0,0]=4 25187 B12R0.184 CC(C)COCCOC[C@H](O)CO ebf28506a4be3f80e73e17ce65a4d725 [0,3,0,0,0,0|1,0,0]=4 25188 B12R0.184 CC(C)CSCCOCC(O)CO de551f84889ccf398671d33bf0cd658d [0,3,0,0,0,0|1,0,0]=4 25189 B12R0.184 CC(C)CSCCOC[C@@H](O)CO 4be2a6dff60b57e92e5fad2ce78a1e40 [0,3,0,0,0,0|1,0,0]=4 25190 B12R0.184 CC(C)CSCCOC[C@H](O)CO 414e1e27105acf902ba91b0ab7db8925 [0,3,0,0,0,0|1,0,0]=4 25191 B12R0.184 CC(C)OCCCOCC(O)CO fd8a7d09aaf46f61cab399ec0ac23c7d [0,3,0,0,0,0|1,0,0]=4 25192 B12R0.184 CC(C)OCCCOC[C@@H](O)CO 6d863617befb57f46efc7c0b7ae808ac [0,3,0,0,0,0|1,0,0]=4 25193 B12R0.184 CC(C)OCCCOC[C@H](O)CO 9b199e45c0a615a1222f6a2b4b02d52e [0,3,0,0,0,0|1,0,0]=4 25194 B12R0.184 CC(C)SCCCOCC(O)CO 654c353a1b4e29d625660074f72da0f4 [0,3,0,0,0,0|1,0,0]=4 25195 B12R0.184 CC(C)SCCCOC[C@@H](O)CO ad0d882bda79bccb0cf6ba41941ae2b8 [0,3,0,0,0,0|1,0,0]=4 25196 B12R0.184 CC(C)SCCCOC[C@H](O)CO 16f86f147f701dc4a22a2c39295b2be0 [0,3,0,0,0,0|1,0,0]=4 25197 B12R0.184 CC(O)CCCNCCC(C)CO 308b762a3b4ecdd7b58e9cee42bc70ab [0,3,0,0,0,0|1,0,0]=4 25198 B12R0.184 CC(O)CCCNCCC(O)CO f76c3962f81952920690e91c4ba3c80f [0,3,0,0,0,0|1,0,0]=4 25199 B12R0.184 CC(O)CCCNCC[C@@H](C)CO ee18e0a99fae14588af55bef81caaaa9 [0,3,0,0,0,0|1,0,0]=4 25200 B12R0.184 CC(O)CCNCCCC(C)CO 742c0bbd0a9e3612db8c18c8a50b9ba0 [0,3,0,0,0,0|1,0,0]=4 25201 B12R0.184 CCC(=O)COCCCCC(=O)C a407d3a6973d01a86d23d7f7363c7dab [0,3,0,0,0,0|0,0,1]=4 25202 B12R0.184 CCC(=O)COCCCCC(C)C 6a67363bb26ad6ef7f07a3eb1b0f1840 [0,3,0,0,0,0|0,0,1]=4 25203 B12R0.184 CCC(=O)COCCCCN(C)C 35b1d063e944f557fdab08b3f96b65df [0,3,0,0,0,0|0,0,1]=4 25204 B12R0.184 CCC(=O)COCCCOC(C)C f2c2ffcba67bcb8917a110017bb60d33 [0,3,0,0,0,0|0,0,1]=4 25205 B12R0.184 CCC(=O)COCCCSC(C)C 826583b3fdb82b7ca6095dea1f8f0eff [0,3,0,0,0,0|0,0,1]=4 25206 B12R0.184 CCC(=O)COCCOCC(C)C 9575de2295569430f947c266a35d7aed [0,3,0,0,0,0|0,0,1]=4 25207 B12R0.184 CCC(=O)COCCSCC(C)C 415214a51ca6691da589627318cc71f2 [0,3,0,0,0,0|0,0,1]=4 25208 B12R0.184 CCC(=O)NCCOCCC(C)C 23f20e2ae7d3af81dffb4cd599bf6b0b [0,3,0,0,0,0|0,0,1]=4 25209 B12R0.184 CCC(=O)OCCOCCC(C)C 16e15854b51c4b37bc001a7b6e11f6d3 [0,3,0,0,0,0|0,0,1]=4 25210 B12R0.184 CCC(=O)OCOCCCC(C)C 7e694854455cd1abcd048fc0f7bc72f5 [0,3,0,0,0,0|0,0,1]=4 25211 B12R0.184 CCC(C)CCCCCOC(C)C 95460cda356fb428de00ad3554c98f24 [0,3,0,0,0,0|1,0,0]=4 25212 B12R0.184 CCC(C)CCCCOCC(C)C e538a67af988dd15d79a2c47bbbb1bc0 [0,3,0,0,0,0|1,0,0]=4 25213 B12R0.184 CCC(C)CCCOCCC(=O)C a582b5926949e4b40de456dca4a15055 [0,3,0,0,0,0|0,0,1]=4 25214 B12R0.184 CCC(C)CCCOCCC(C)C eb9c18f218fdb05556138a90a749424d [0,3,0,0,0,0|0,0,0]=3 25215 B12R0.184 CCC(C)CCCOCCN(C)C f911000864c7b4c31e1cea1ef0e917cb [0,3,0,0,0,0|1,0,0]=4 25216 B12R0.184 CCC(C)CCCOCCS(=O)C a873fa62d4299a879f8aaa2cbc07565b [0,3,0,0,0,0|1,0,0]=4 25217 B12R0.184 CCC(C)CCCOCOC(C)C 71c37f27dbed2e8c044227b39e4d6324 [0,3,0,0,0,0|1,0,0]=4 25218 B12R0.184 CCC(C)CCNCCCC(=O)C 629ad7c4928409cd6bd4c6c1d6a2c4d4 [0,3,0,0,0,0|1,0,0]=4 25219 B12R0.184 CCC(C)CCNCCCC(C)C 0fc0246e6df4eac90ba91a910d5c00a4 [0,3,0,0,0,0|1,0,0]=4 25220 B12R0.184 CCC(C)CCNCCCC(C)O 3b664d55202348afb992070db02c4b31 [0,3,0,0,0,0|1,0,0]=4 25221 B12R0.184 CCC(C)CCNCCCN(C)C c975ab08877228ef146cee0f755e3e5b [0,3,0,0,0,0|1,0,0]=4 25222 B12R0.184 CCC(C)CCNCCCS(=O)C a589136de5d61e825865392783c0cce9 [0,3,0,0,0,0|1,0,0]=4 25223 B12R0.184 CCC(C)CCNCCOC(C)C fad57a361b7e2cadee8482452f6d26e4 [0,3,0,0,0,0|1,0,0]=4 25224 B12R0.184 CCC(C)CCNCCSC(C)C 91b893abc25880bd0627eb7bb806f7fa [0,3,0,0,0,0|1,0,0]=4 25225 B12R0.184 CCC(C)CCOC/C=C/C(C)C c0a00390eebf7275785a8f2a8ca17ba7 [0,3,0,0,0,0|0,0,1]=4 25226 B12R0.184 CCC(C)CCOCCC=C(C)C ad873bf12e31efd4a0e165a3ee5ffaf5 [0,3,0,0,0,0|0,0,1]=4 25227 B12R0.184 CCC(C)CCOCCCC(=O)C 018216496fd26e99c490d31e4a9abe19 [0,3,0,0,0,0|0,0,0]=3 25228 B12R0.184 CCC(C)CCOCCCC(=O)N eeaefed978691a5b842f6a159f1615ad [0,3,0,0,0,0|0,0,1]=4 25229 B12R0.184 CCC(C)CCOCCCC(C)C 6303bee52d3744249dd248edfda8b629 [0,3,0,0,0,0|0,0,0]=3 25230 B12R0.184 CCC(C)CCOCCCN(C)C 544e3c2c791fbb40516edf09f9a0c26e [0,3,0,0,0,0|0,0,0]=3 25231 B12R0.184 CCC(C)CCOCCC[N+](=O)[O-] 6e398899f134baaa270a51ddf1f38051 [0,3,0,0,0,0|1,0,0]=4 25232 B12R0.184 CCC(C)CCOCCNC(=O)C ddb6c14b83880693b94aeeed8184cad7 [0,3,0,0,0,0|0,0,1]=4 25233 B12R0.184 CCC(C)CCOCCOC(=O)C 38025861f88f2f88fb5d7ee10bfaa5cc [0,3,0,0,0,0|0,0,1]=4 25234 B12R0.184 CCC(C)CCOCCOC(C)C 993d52cdca9c06ea38f7cf4e79a2ad6e [0,3,0,0,0,0|0,0,0]=3 25235 B12R0.184 CCC(C)CCOCCOC(F)F e69be167aa74dc831a44779ee08513ab [0,3,0,0,0,0|1,0,0]=4 25236 B12R0.184 CCC(C)CCOCCSC(=O)C 897fbdef0202868caa4646c00ea723c5 [0,3,0,0,0,0|0,0,1]=4 25237 B12R0.184 CCC(C)CCOCCSC(C)C 34c6571c0323c3302ae367a4b28c4e96 [0,3,0,0,0,0|0,0,0]=3 25238 B12R0.184 CCC(C)CNCCCCC(=O)C 11677e3c895b01788883515d414aa637 [0,3,0,0,0,0|1,0,0]=4 25239 B12R0.184 CCC(C)CNCCCCC(C)C 057542a82d2e19ca5dfa945cba9feed6 [0,3,0,0,0,0|1,0,0]=4 25240 B12R0.184 CCC(C)CNCCCCC(C)O 226ef21c51886093a0b178d08bcee67a [0,3,0,0,0,0|1,0,0]=4 25241 B12R0.184 CCC(C)CNCCCCC(F)F fd33385ec31ef213be412663c314c4a3 [0,3,0,0,0,0|1,0,0]=4 25242 B12R0.184 CCC(C)CNCCCCN(C)C c3ca9f2c7ac836b51a68cd6a2070914c [0,3,0,0,0,0|1,0,0]=4 25243 B12R0.184 CCC(C)CNCCCC[C@@H](C)O f5a4918dd22bea169c5e43c2d715be4a [0,3,0,0,0,0|1,0,0]=4 25244 B12R0.184 CCC(C)CNCCCOC(C)C 3ac37f5affddea511191de940bf7cab5 [0,3,0,0,0,0|1,0,0]=4 25245 B12R0.184 CCC(C)CNCCCSC(C)C e9111e0bf53a08d35d1f3b2baa5e8b05 [0,3,0,0,0,0|1,0,0]=4 25246 B12R0.184 CCC(C)CNCCOCC(C)C bff8047dd44388699a0048433ed252a1 [0,3,0,0,0,0|1,0,0]=4 25247 B12R0.184 CCC(C)COCCCCC(=O)C 5b568416df706d4ef941eb8804e461b9 [0,3,0,0,0,0|0,0,0]=3 25248 B12R0.184 CCC(C)COCCCCC(=O)N e760e3249416e25892c2e85142e18819 [0,3,0,0,0,0|0,0,1]=4 25249 B12R0.184 CCC(C)COCCCCC(=O)O 5c7d7a4b76f1270176bce6e3d65dc9d3 [0,3,0,0,0,0|0,0,1]=4 25250 B12R0.184 CCC(C)COCCCCC(C)C 4ffed489963b7dd9e7e1f0786df43b5f [0,3,0,0,0,0|0,0,0]=3 25251 B12R0.184 CCC(C)COCCCCN(C)C 5ffdb14f3596305ede23ceaa6dca546d [0,3,0,0,0,0|0,0,0]=3 25252 B12R0.184 CCC(C)COCCCC[N+](=O)[O-] b5ad8e39ad7d57e19ab7d09367f8de13 [0,3,0,0,0,0|1,0,0]=4 25253 B12R0.184 CCC(C)COCCCNC(=O)C b9ea35b2cc87d0d535faaecd2d7b5180 [0,3,0,0,0,0|0,0,1]=4 25254 B12R0.184 CCC(C)COCCCOC(=O)C b7a9b10da8f9583881ba6461a8d1f056 [0,3,0,0,0,0|0,0,1]=4 25255 B12R0.184 CCC(C)COCCCOC(=S)C 40b9deb8d2092a260bd76aa4465f1891 [0,3,0,0,0,0|0,0,1]=4 25256 B12R0.184 CCC(C)COCCCOC(C)C 2e138310721f6f8770de14cd4e003f19 [0,3,0,0,0,0|0,0,0]=3 25257 B12R0.184 CCC(C)COCCCSC(=O)C 193e595c21516cdf297df83a8519b12b [0,3,0,0,0,0|0,0,1]=4 25258 B12R0.184 CCC(C)COCCCSC(C)C e23ecc21c3f31130b03f6865d40eb69d [0,3,0,0,0,0|0,0,0]=3 25259 B12R0.184 CCC(C)COCCOCC(C)C 25101c6af0cadf4ddd247a74fb06a1e8 [0,3,0,0,0,0|0,0,0]=3 25260 B12R0.184 CCC(C)COCCOCC(F)F aa16f5d56d2c70c23d81f0d53b8e87d6 [0,3,0,0,0,0|1,0,0]=4 25261 B12R0.184 CCC(C)COCCSCC(C)C cc0a12868935e12c1a58d1f66f553b46 [0,3,0,0,0,0|0,0,0]=3 25262 B12R0.184 CCC(C)NCCCCCC(C)C fd668a71725b8002b08937c0fa86ec3f [0,3,0,0,0,0|1,0,0]=4 25263 B12R0.184 CCC(C)NCCOCCN(C)C 7ec6193646ae1ef678150b73c71146b9 [0,3,0,0,0,0|1,0,0]=4 25264 B12R0.184 CCC(C)OCCCCCC(C)C e3452884c9b355198f2eddfb6b3bb4aa [0,3,0,0,0,0|1,0,0]=4 25265 B12R0.184 CCC(C)OCCOCCN(C)C 8ce9b6d2a0f72bae5447834ccdc09cbf [0,3,0,0,0,0|1,0,0]=4 25266 B12R0.184 CCC(O)CNCCCCC(=O)C d93986c1c9613c84ca151f82c6677694 [0,3,0,0,0,0|1,0,0]=4 25267 B12R0.184 CCC(O)CNCCCCC(C)C fbe86ffcbd39a609691b093345556884 [0,3,0,0,0,0|1,0,0]=4 25268 B12R0.184 CCC(O)CNCCCCC(C)O 9488d3e433c781586a5391c67b7befb0 [0,3,0,0,0,0|1,0,0]=4 25269 B12R0.184 CCC(O)CNCCCCC(F)F 8a3d94e2681aaa59c5ffe36c6bd721f5 [0,3,0,0,0,0|1,0,0]=4 25270 B12R0.184 CCC(O)CNCCCCN(C)C 90fb9990fb7ffcef9c5cfe90945e0cd0 [0,3,0,0,0,0|1,0,0]=4 25271 B12R0.184 CCC(O)CNCCCC[C@@H](C)O 2e04fbc4c83eed52fc42c32f720b7221 [0,3,0,0,0,0|1,0,0]=4 25272 B12R0.184 CCC(O)CNCCCOC(C)C 68740aed189df24321e62bc34c293a81 [0,3,0,0,0,0|1,0,0]=4 25273 B12R0.184 CCC(O)CNCCCSC(C)C edde0963f47c7e460bcb709f8598609a [0,3,0,0,0,0|1,0,0]=4 25274 B12R0.184 CCC(O)CNCCOCC(C)C 69f35b80f7b82f69058190f43aff6130 [0,3,0,0,0,0|1,0,0]=4 25275 B12R0.184 CCC(S)CCOC/C=C/C(C)C 9d6b0b417e7217a0a2c3c88cc00e7ae2 [0,3,0,0,0,0|0,0,1]=4 25276 B12R0.184 CCC(S)CCOCCC=C(C)C 11a663e714752652f0656c18e1b36070 [0,3,0,0,0,0|0,0,1]=4 25277 B12R0.184 CCC(S)CCOCCCC(=O)C 83b5f2c189e41824564029b4d34fb6c0 [0,3,0,0,0,0|0,0,0]=3 25278 B12R0.184 CCC(S)CCOCCCC(=O)N 00d9d92675bc44af67e51792fca10eef [0,3,0,0,0,0|0,0,1]=4 25279 B12R0.184 CCC(S)CCOCCCC(=O)O 4bd4eede6c72611263f60646e7133705 [0,3,0,0,0,0|0,0,1]=4 25280 B12R0.184 CCC(S)CCOCCCC(C)C 7befa17e598fca0ac506a110da1e0003 [0,3,0,0,0,0|0,0,0]=3 25281 B12R0.184 CCC(S)CCOCCCN(C)C 91e8436ece9db9100a5c43e812b1e283 [0,3,0,0,0,0|0,0,0]=3 25282 B12R0.184 CCC(S)CCOCCC[N+](=O)[O-] 5959903c088b61a8b073b4a4ccecb421 [0,3,0,0,0,0|1,0,0]=4 25283 B12R0.184 CCC(S)CCOCCNC(=O)C 647ad977529128d4ec58a236191b433c [0,3,0,0,0,0|0,0,1]=4 25284 B12R0.184 CCC(S)CCOCCOC(=O)C ca1b48af1501c5dc5ce6961417160df9 [0,3,0,0,0,0|0,0,1]=4 25285 B12R0.184 CCC(S)CCOCCOC(C)C 5722a36c8d7553a4b2dba644fe69bcc5 [0,3,0,0,0,0|0,0,0]=3 25286 B12R0.184 CCC(S)CCOCCOC(F)F a9bc994b80720ec553d6a22f6cf15b71 [0,3,0,0,0,0|1,0,0]=4 25287 B12R0.184 CCC(S)CCOCCSC(=O)C d6c2998852e0e60493fe15e13bf368f0 [0,3,0,0,0,0|0,0,1]=4 25288 B12R0.184 CCC(S)CCOCCSC(C)C c97fa4d69f9b5529e2cd418a413c7131 [0,3,0,0,0,0|0,0,0]=3 25289 B12R0.184 CCN(C)CCCNCCC(C)C 7ff4ffbe8a200f9d9d8f24e748372499 [0,3,0,0,0,0|1,0,0]=4 25290 B12R0.184 CCN(C)CCCNCCC(C)O b0bcb0392c688b21c924863ab870e6eb [0,3,0,0,0,0|1,0,0]=4 25291 B12R0.184 CCN(C)CCCOCCC(=O)C 0aeda43f7b117e7f10eaf57bc960c9f5 [0,3,0,0,0,0|0,0,1]=4 25292 B12R0.184 CCN(C)CCCOCCC(C)C 761f12e2c98a244d5d79217655c6b140 [0,3,0,0,0,0|0,0,0]=3 25293 B12R0.184 CCN(C)CCCOCCN(C)C 762e55de5726b6a6b805c7927caeb535 [0,3,0,0,0,0|1,0,0]=4 25294 B12R0.184 CCN(C)CCCOCCS(=O)C 3ac233f09df1b5d0527e7d0d0763bae9 [0,3,0,0,0,0|1,0,0]=4 25295 B12R0.184 CCN(C)CCCOCOC(C)C 30abdd3eb45a76a7bed4594e78dee8bc [0,3,0,0,0,0|1,0,0]=4 25296 B12R0.184 CCN(C)CCOCCOC(C)C f087f0b479bbd62671ef9c8f25de2593 [0,3,0,0,0,0|1,0,0]=4 25297 B12R0.184 CCS(=O)CCNCCCC(C)C 210e70040d4a57d127045fee68f59ea0 [0,3,0,0,0,0|1,0,0]=4 25298 B12R0.184 CCS(=O)CCOCCCC(C)C 5d2aadb698b8572b8ef09736008c5d58 [0,3,0,0,0,0|0,0,0]=3 25299 B12R0.184 CCS(=O)CCOCCCN(C)C 8f9514c1f133737965ddea181f0c1555 [0,3,0,0,0,0|1,0,0]=4 25300 B12R0.184 CCS(=O)CCOCCOC(C)C 4592344a8abb51a654d8f44434c31289 [0,3,0,0,0,0|1,0,0]=4 25301 B12R0.184 CCS(=O)CCOCCSC(C)C 339160787b9332ded44d9d9348679aef [0,3,0,0,0,0|1,0,0]=4 25302 B12R0.184 CC[C@@H](C)CNCCCCC(F)F 7854fdfc3486b0dffa67ce3e5ffd1f80 [0,3,0,0,0,0|1,0,0]=4 25303 B12R0.184 CC[C@@H](C)CNCCCCN(C)C 2b742ac3acc86288ec8a934c118f3ed6 [0,3,0,0,0,0|1,0,0]=4 25304 B12R0.184 CC[C@@H](C)CNCCCOC(C)C 9193e85d237ff276442bebff83df16a7 [0,3,0,0,0,0|1,0,0]=4 25305 B12R0.184 CC[C@@H](C)CNCCCSC(C)C 29d8b918181e6077e0d1bae4d243cb8f [0,3,0,0,0,0|1,0,0]=4 25306 B12R0.184 CC[C@@H](C)COCCCCC(=O)C 24458f1001af3a5d0e247335829dc54d [0,3,0,0,0,0|0,0,0]=3 25307 B12R0.184 CC[C@@H](C)COCCCCC(=O)N e75a6047eadb91080498b12c8ff672d4 [0,3,0,0,0,0|0,0,1]=4 25308 B12R0.184 CC[C@@H](C)COCCCCC(=O)O b465e6e8a8d856936133e6667519a43d [0,3,0,0,0,0|0,0,1]=4 25309 B12R0.184 CC[C@@H](C)COCCCCC(C)C afe9548744e74712ad3e90b61905b248 [0,3,0,0,0,0|0,0,0]=3 25310 B12R0.184 CC[C@@H](C)COCCCCN(C)C 7ae0a68e14f09c29f17b5a83dd085a2a [0,3,0,0,0,0|0,0,0]=3 25311 B12R0.184 CC[C@@H](C)COCCCC[N+](=O)[O-] 4ee4df43d0ac471eee4805bb7fc0b58d [0,3,0,0,0,0|1,0,0]=4 25312 B12R0.184 CC[C@@H](C)COCCCNC(=O)C 8a5954761a704cd2e778f7266d71bb2d [0,3,0,0,0,0|0,0,1]=4 25313 B12R0.184 CC[C@@H](C)COCCCOC(=O)C 0769f71e99433bc14482b54431cd6db3 [0,3,0,0,0,0|0,0,1]=4 25314 B12R0.184 CC[C@@H](C)COCCCOC(=S)C a5b04cabe4d9db34252b341ae1a441a4 [0,3,0,0,0,0|0,0,1]=4 25315 B12R0.184 CC[C@@H](C)COCCCOC(C)C 904bf28d8eb8288ff6cf153d445f11d3 [0,3,0,0,0,0|0,0,0]=3 25316 B12R0.184 CC[C@@H](C)COCCCSC(=O)C b52bf0553f4cb22c3363989c2ae34f84 [0,3,0,0,0,0|0,0,1]=4 25317 B12R0.184 CC[C@@H](C)COCCCSC(C)C 46de955720aa197ca4cce63fb290e031 [0,3,0,0,0,0|0,0,0]=3 25318 B12R0.184 CC[C@@H](C)COCCOCC(C)C 13bc21e20812dda4598e74b6f2edd69d [0,3,0,0,0,0|0,0,0]=3 25319 B12R0.184 CC[C@@H](C)COCCOCC(F)F c359cd937aae28d2183c747ecc49a174 [0,3,0,0,0,0|1,0,0]=4 25320 B12R0.184 CC[C@@H](C)COCCSCC(C)C f5ce5448519744d21ef9ac3cb94a4bc1 [0,3,0,0,0,0|0,0,0]=3 25321 B12R0.184 CC[C@@H](C)NCCCCCC(C)C 275e32da666031be5356429b615b1256 [0,3,0,0,0,0|1,0,0]=4 25322 B12R0.184 CC[C@@H](C)OCCCCCC(C)C cd38c23679339b04c1f4bb6372d0b795 [0,3,0,0,0,0|1,0,0]=4 25323 B12R0.184 CC[C@@H](O)CNCCCCC(=O)C 89aed251e98fc70792cc14dc88282979 [0,3,0,0,0,0|1,0,0]=4 25324 B12R0.184 CC[C@@H](O)CNCCCCC(C)C ddc154c080ad38d9398ac74790c26186 [0,3,0,0,0,0|1,0,0]=4 25325 B12R0.184 CC[C@@H](O)CNCCCCC(C)O 9ce4e336ca21e4539bc41a8df0c68749 [0,3,0,0,0,0|1,0,0]=4 25326 B12R0.184 CC[C@@H](O)CNCCCCN(C)C 069ff626d8aa54b35b6a79828c831433 [0,3,0,0,0,0|1,0,0]=4 25327 B12R0.184 CC[C@@H](O)CNCCCC[C@@H](C)O 1b02cc1a408983761d8e0444e7cf4780 [0,3,0,0,0,0|1,0,0]=4 25328 B12R0.184 CC[C@@H](O)CNCCOCC(C)C 61c06ca5026ec8b951b611c2afea8406 [0,3,0,0,0,0|1,0,0]=4 25329 B12R0.184 CC[C@H](C)CCCCCOC(C)C 6155ef976851da3d96dbd22fca920691 [0,3,0,0,0,0|1,0,0]=4 25330 B12R0.184 CC[C@H](C)CCCCOCC(C)C c60c70607e53bc82c63a03351c417132 [0,3,0,0,0,0|1,0,0]=4 25331 B12R0.184 CC[C@H](C)CCCOCCC(=O)C 94674b280c661c242f7b1b568bf670c0 [0,3,0,0,0,0|0,0,1]=4 25332 B12R0.184 CC[C@H](C)CCCOCCC(C)C 0c978eb61c90ee464ef4fbfb4075b92f [0,3,0,0,0,0|0,0,0]=3 25333 B12R0.184 CC[C@H](C)CCCOCCN(C)C 97db4ad6d7d42e7d0198f553cedfc494 [0,3,0,0,0,0|1,0,0]=4 25334 B12R0.184 CC[C@H](C)CCCOCCS(=O)C 2808354fc0940bb40b32bb5d0a638495 [0,3,0,0,0,0|1,0,0]=4 25335 B12R0.184 CC[C@H](C)CCCOCOC(C)C b76f8980a09167934092c132d4548fe3 [0,3,0,0,0,0|1,0,0]=4 25336 B12R0.184 CC[C@H](C)CCOC/C=C/C(C)C 1a624be494d9c11eac8f40c7b85c9416 [0,3,0,0,0,0|0,0,1]=4 25337 B12R0.184 CC[C@H](C)CCOCCC=C(C)C 79212850c3033354447bc966dd653970 [0,3,0,0,0,0|0,0,1]=4 25338 B12R0.184 CC[C@H](C)CCOCCCC(=O)C c8268f1305393105f5dcc10a9a11b62d [0,3,0,0,0,0|0,0,0]=3 25339 B12R0.184 CC[C@H](C)CCOCCCC(=O)N 2aaaa9d0720d71973640c92d66ba7ed7 [0,3,0,0,0,0|0,0,1]=4 25340 B12R0.184 CC[C@H](C)CCOCCCC(C)C 4613d56a2ad0641ef1fdf1193998e48d [0,3,0,0,0,0|0,0,0]=3 25341 B12R0.184 CC[C@H](C)CCOCCCN(C)C 246f3446b67cf406eed0ede70cd650ff [0,3,0,0,0,0|0,0,0]=3 25342 B12R0.184 CC[C@H](C)CCOCCC[N+](=O)[O-] 3ad3b405e68b5be505b3ef7d90ec65e3 [0,3,0,0,0,0|1,0,0]=4 25343 B12R0.184 CC[C@H](C)CCOCCNC(=O)C c53f2a3a8fe5decc35bee22604dd7a68 [0,3,0,0,0,0|0,0,1]=4 25344 B12R0.184 CC[C@H](C)CCOCCOC(=O)C 1fb2d3b4ea3d38f83ae0e8377c847699 [0,3,0,0,0,0|0,0,1]=4 25345 B12R0.184 CC[C@H](C)CCOCCOC(C)C 1cee98af88a9fbed7b7d78708bc0afee [0,3,0,0,0,0|0,0,0]=3 25346 B12R0.184 CC[C@H](C)CCOCCOC(F)F adfac6fcf3e3d9ccb8206ef7ee3007d6 [0,3,0,0,0,0|1,0,0]=4 25347 B12R0.184 CC[C@H](C)CCOCCSC(=O)C 090592f90e5d3b796b9817f117728dbb [0,3,0,0,0,0|0,0,1]=4 25348 B12R0.184 CC[C@H](C)CCOCCSC(C)C fd34566180d9505ead0a2a5b0df2f6d0 [0,3,0,0,0,0|0,0,0]=3 25349 B12R0.184 CC[C@H](C)CNCCCCC(=O)C 322e7524baee044ed3f660d9b4a41c12 [0,3,0,0,0,0|1,0,0]=4 25350 B12R0.184 CC[C@H](C)CNCCCCC(C)C a02439d43f3a8b2e6d711d8a4ef5e29e [0,3,0,0,0,0|1,0,0]=4 25351 B12R0.184 CC[C@H](C)CNCCCCC(C)O c711d7934433ed14eddbfc32941af530 [0,3,0,0,0,0|1,0,0]=4 25352 B12R0.184 CC[C@H](C)CNCCCCC(F)F 8314cd5bf9ed02acd7f98c4853f1a4bb [0,3,0,0,0,0|1,0,0]=4 25353 B12R0.184 CC[C@H](C)CNCCCCN(C)C 9d14f7518fa48f3e371714bfa5b00ded [0,3,0,0,0,0|1,0,0]=4 25354 B12R0.184 CC[C@H](C)CNCCCC[C@@H](C)O 3da32315aa0ec8f3b5b5072f5cfd9bb8 [0,3,0,0,0,0|1,0,0]=4 25355 B12R0.184 CC[C@H](C)CNCCCOC(C)C ad1f35f9f37f771904964d4712bdb906 [0,3,0,0,0,0|1,0,0]=4 25356 B12R0.184 CC[C@H](C)CNCCCSC(C)C 631bb1ee87c32b60060c2dd71bc5aa7e [0,3,0,0,0,0|1,0,0]=4 25357 B12R0.184 CC[C@H](C)CNCCOCC(C)C db65c1e65a8a3945644e4245f716f197 [0,3,0,0,0,0|1,0,0]=4 25358 B12R0.184 CC[C@H](C)COCCCCC(=O)C 82ab0ab2e341467be7c2e562e2b707fc [0,3,0,0,0,0|0,0,0]=3 25359 B12R0.184 CC[C@H](C)COCCCCC(=O)N d43e8d0b5c9b0641b369ca650ad5c8e2 [0,3,0,0,0,0|0,0,1]=4 25360 B12R0.184 CC[C@H](C)COCCCCC(=O)O aabf08aa1b335746f76d5448c67692a0 [0,3,0,0,0,0|0,0,1]=4 25361 B12R0.184 CC[C@H](C)COCCCCC(C)C cb8e338102fcb6200738ca4e2fc8253b [0,3,0,0,0,0|0,0,0]=3 25362 B12R0.184 CC[C@H](C)COCCCCN(C)C dc94a592ba8d06d89129dc9073e22746 [0,3,0,0,0,0|0,0,0]=3 25363 B12R0.184 CC[C@H](C)COCCCC[N+](=O)[O-] 0639856933a66a748578267e33ae52e4 [0,3,0,0,0,0|1,0,0]=4 25364 B12R0.184 CC[C@H](C)COCCCNC(=O)C 24deb790cc97790f321ed2f2dbe8122b [0,3,0,0,0,0|0,0,1]=4 25365 B12R0.184 CC[C@H](C)COCCCOC(=O)C 2835c38892b3e281459818a2442299bb [0,3,0,0,0,0|0,0,1]=4 25366 B12R0.184 CC[C@H](C)COCCCOC(=S)C f3e891d3e70f7eae73eaa35034b93c2e [0,3,0,0,0,0|0,0,1]=4 25367 B12R0.184 CC[C@H](C)COCCCOC(C)C 746b8ed2da7470ebdab0eceb86ba399e [0,3,0,0,0,0|0,0,0]=3 25368 B12R0.184 CC[C@H](C)COCCCSC(=O)C f82d4117de6b76a30ee3e7640f1c0f57 [0,3,0,0,0,0|0,0,1]=4 25369 B12R0.184 CC[C@H](C)COCCCSC(C)C 245db2f7aece9dab8d47d7c3f55a548f [0,3,0,0,0,0|0,0,0]=3 25370 B12R0.184 CC[C@H](C)COCCOCC(C)C bcbdc977f17a90c67f10b3bcbe44fe6e [0,3,0,0,0,0|0,0,0]=3 25371 B12R0.184 CC[C@H](C)COCCOCC(F)F 173e3c5c3345b28291cf68d8ab1ba6aa [0,3,0,0,0,0|1,0,0]=4 25372 B12R0.184 CC[C@H](C)COCCSCC(C)C c5b9c0d7093771a6ca9dd3144aad18b2 [0,3,0,0,0,0|0,0,0]=3 25373 B12R0.184 CC[C@H](C)NCCCCCC(C)C 2da384a6f33266d1f1bac36bf540a979 [0,3,0,0,0,0|1,0,0]=4 25374 B12R0.184 CC[C@H](C)OCCCCCC(C)C 9610c3fb721f4d28c60e24564721504e [0,3,0,0,0,0|1,0,0]=4 25375 B12R0.184 CN(C)CCCCOCC(Br)CBr 313d9de0fe59abd75fb65315410ea931 [0,3,0,0,0,0|1,0,0]=4 25376 B12R0.184 CN(C)CCCCOCC(Cl)CCl 66eccf1d9d84a556fc37d4de58609e6a [0,3,0,0,0,0|1,0,0]=4 25377 B12R0.184 CN(C)CCCCOCC(O)CO 948f1706b7a8a4c534806553bcff9025 [0,3,0,0,0,0|1,0,0]=4 25378 B12R0.184 CN(C)CCCCOCC(S)CS ddb90b3931d5375c1d240ac289c09cda [0,3,0,0,0,0|1,0,0]=4 25379 B12R0.184 CN(C)CCCCOC[C@@H](O)CO a96fc64c977edd1d3804cc52cf974319 [0,3,0,0,0,0|1,0,0]=4 25380 B12R0.184 CN(C)CCCCOC[C@H](O)CO 22f44c11a907325dd8410cf36e4afa11 [0,3,0,0,0,0|1,0,0]=4 25381 B12R0.184 CNC(=O)CCCOCCC(C)C 12a059dcdd0fa340729da1df96943759 [0,3,0,0,0,0|0,0,1]=4 25382 B12R0.184 CNC(=O)CCOCCCC(C)C 1e2ff557552b4540a4f081b6c3cc8ddd [0,3,0,0,0,0|0,0,1]=4 25383 B12R0.184 COC(=O)CCCOCCC(C)C f2d72b3da82325319b4b75703841155b [0,3,0,0,0,0|0,0,1]=4 25384 B12R0.184 COC(=O)CCOCCCC(C)C 29629814b448cbf4e74929d30f12e83f [0,3,0,0,0,0|0,0,1]=4 25385 B12R0.184 COC(C)CCOCCCC(=O)C dc3cf1d5b3e2dddb27bf449547b1a6bc [0,3,0,0,0,0|0,0,1]=4 25386 B12R0.184 COC(C)CCOCCCC(C)C baed9f456c5255d50eaa711049b8c36c [0,3,0,0,0,0|0,0,0]=3 25387 B12R0.184 COC(C)CCOCCCN(C)C 82e956dec21b247e5de85ee3976e5420 [0,3,0,0,0,0|1,0,0]=4 25388 B12R0.184 COC(C)CCOCCOC(C)C 4ab0e0a6fb4c680d11cceeb35fda5f2e [0,3,0,0,0,0|1,0,0]=4 25389 B12R0.184 COC(C)CCOCCSC(C)C 77a3e14ac758c063e42845ff83e3a99e [0,3,0,0,0,0|1,0,0]=4 25390 B12R0.184 COC(C)COCCCCC(=O)C 823b53eb131b9adef821f36e5165e4ff [0,3,0,0,0,0|1,0,0]=4 25391 B12R0.184 COC(C)COCCCCC(C)C c3ff4926e2533da8f1c7da934f9d0e83 [0,3,0,0,0,0|1,0,0]=4 25392 B12R0.184 COC(C)COCCCCN(C)C aa40fdc93fa39002264db827fa392386 [0,3,0,0,0,0|1,0,0]=4 25393 B12R0.184 COC(C)COCCCOC(C)C 7b1efb304aac1ff665fc379870ec8198 [0,3,0,0,0,0|1,0,0]=4 25394 B12R0.184 COC(C)COCCCSC(C)C b1ec49f4324d29dba6d004dc0114f3af [0,3,0,0,0,0|1,0,0]=4 25395 B12R0.184 COC(C)COCCOCC(C)C 906170d751704abca7f7e948fb7e0cd5 [0,3,0,0,0,0|1,0,0]=4 25396 B12R0.184 COC(C)COCCSCC(C)C c709d3580a3f0065a295502c49eab612 [0,3,0,0,0,0|1,0,0]=4 25397 B12R0.184 CO[C@@H](C)COCCCCC(=O)C f451d06714dd2e2214a5ffe37d952b70 [0,3,0,0,0,0|1,0,0]=4 25398 B12R0.184 CO[C@@H](C)COCCCCC(C)C 0ef758628eaa1b514464b86aec0cec8b [0,3,0,0,0,0|1,0,0]=4 25399 B12R0.184 CO[C@@H](C)COCCCCN(C)C e399d60af1adee730f50ed0a928e4ef5 [0,3,0,0,0,0|1,0,0]=4 25400 B12R0.184 CO[C@@H](C)COCCCOC(C)C e23d0a925ed4ba7385eb4f5de16f746d [0,3,0,0,0,0|1,0,0]=4 25401 B12R0.184 CO[C@@H](C)COCCCSC(C)C 722a364ca09c7d481d24778aa34ecdaa [0,3,0,0,0,0|1,0,0]=4 25402 B12R0.184 CO[C@@H](C)COCCOCC(C)C 5b2d40abb5a139e3e4da95ee293cbe51 [0,3,0,0,0,0|1,0,0]=4 25403 B12R0.184 CO[C@@H](C)COCCSCC(C)C 496d23b9f4ecfc55dc13b78d9c999827 [0,3,0,0,0,0|1,0,0]=4 25404 B12R0.184 CO[C@H](C)COCCCCC(=O)C 4486d19167b0397db4b0b7f7f4753ffb [0,3,0,0,0,0|1,0,0]=4 25405 B12R0.184 CO[C@H](C)COCCCCC(C)C 4ae203afd3fef651b901d4710609bf26 [0,3,0,0,0,0|1,0,0]=4 25406 B12R0.184 CO[C@H](C)COCCCCN(C)C be81ffb0d7ab6d83b255d9f16f959d0c [0,3,0,0,0,0|1,0,0]=4 25407 B12R0.184 CO[C@H](C)COCCCOC(C)C 66815a7060cae61c3d1ad84399baa3bd [0,3,0,0,0,0|1,0,0]=4 25408 B12R0.184 CO[C@H](C)COCCCSC(C)C 24c953df0aa327a8486ad50c735fc87a [0,3,0,0,0,0|1,0,0]=4 25409 B12R0.184 CO[C@H](C)COCCOCC(C)C ca7b80209cfafda735fb6559b6efc1f9 [0,3,0,0,0,0|1,0,0]=4 25410 B12R0.184 CO[C@H](C)COCCSCC(C)C eb6c75ea48110218e8f286282e26a8ea [0,3,0,0,0,0|1,0,0]=4 25411 B12R0.57 C#CC(CC)OCCCCCCC 247f6a0936d46af3821ffc4a82affc63 [0,3,0,0,0,0|1,0,0]=4 25412 B12R0.57 C#CC(CC)OCCOCCCC 47ca87494419207d965dae709aa8512b [0,3,0,0,0,0|0,0,0]=3 25413 B12R0.57 C#CC(CC)OCCOCCOC 89be3a006c1fa2c63858a07906783a52 [0,3,0,0,0,0|1,0,0]=4 25414 B12R0.57 C#CCCCCOCC(CC)CC 920cfca4812f8a9a14ee615371693b14 [0,3,0,0,0,0|0,0,1]=4 25415 B12R0.57 C#CCCCCOCC(CC)OC 68d7e4c2f17aa2afd9ee0c1655745e91 [0,3,0,0,0,0|0,0,1]=4 25416 B12R0.57 C/C=C/CCCOCC(CC)CC 3426e2d95080db0cde0cf4f6ecdf79c8 [0,3,0,0,0,0|0,0,1]=4 25417 B12R0.57 C/C=C\CCCOCC(CC)CC d85a887b17ee463153bd727a432c75e7 [0,3,0,0,0,0|0,0,1]=4 25418 B12R0.57 C/C=C\CCCOCC(CC)OC 81b15809dc52e249db41f3dfe3749c9d [0,3,0,0,0,0|0,0,1]=4 25419 B12R0.57 C=CC(CC)OCCCCCCC 9221bb71abc0a6a3dfc19cbeb2fd31a3 [0,3,0,0,0,0|1,0,0]=4 25420 B12R0.57 C=CC(CC)OCCOCCCC dbab14dc9255d2fe2802bc1b333922c9 [0,3,0,0,0,0|0,0,0]=3 25421 B12R0.57 C=CC(CC)OCCOCCOC 1e761ed51b9b75c0b1d17f4c23c5789a [0,3,0,0,0,0|1,0,0]=4 25422 B12R0.57 C=CCCCCOCC(CC)CC f149020fca0f735c747af162e463f462 [0,3,0,0,0,0|0,0,1]=4 25423 B12R0.57 C=CCCCCOCC(CC)OC 852bf06c48a64e62dc5ffcb71a76a8c4 [0,3,0,0,0,0|0,0,1]=4 25424 B12R0.57 C=C[C@@H](CO)NCCOCCCC a0e1e877d7b360a17157a8437c279267 [0,3,0,0,0,0|1,0,0]=4 25425 B12R0.57 CC#CCCCOCC(CC)CC 21d54e7da530e05a5495b661bf477cdd [0,3,0,0,0,0|0,0,1]=4 25426 B12R0.57 CC/C=C/CCOCC(CC)CC 00394b0a73276c9eb84fca45d35b37b0 [0,3,0,0,0,0|0,0,1]=4 25427 B12R0.57 CC/C=C\CCOCC(CC)CC d326047fbf963b536021915514eaf3e1 [0,3,0,0,0,0|0,0,1]=4 25428 B12R0.57 CC/C=C\CCOCC(CC)OC 38d5c49b60ddd7f0f32352e46b4b0c54 [0,3,0,0,0,0|0,0,1]=4 25429 B12R0.57 CC=CCCCOCC(CC)CC 7d19fe7e3057bd62381826feadd7acf6 [0,3,0,0,0,0|0,0,1]=4 25430 B12R0.57 CCC#CCCOCC(CC)CC eb29f4903dae69f4d6ad4bea3781af2a [0,3,0,0,0,0|0,0,1]=4 25431 B12R0.57 CCC(C#N)OCCOCCOC 9ab715d3d905e1aabbb54079a044843f [0,3,0,0,0,0|1,0,0]=4 25432 B12R0.57 CCC(C=O)NCCOCCCO 09a65a022842cf30dc1bc44de52c7f73 [0,3,0,0,0,0|1,0,0]=4 25433 B12R0.57 CCC(C=O)NCCOCCOC a31b7b214d642e75db68a03683d6149f [0,3,0,0,0,0|1,0,0]=4 25434 B12R0.57 CCC(C=O)OCCOCCOC eba377f913ca6169e50d5e922dfebc93 [0,3,0,0,0,0|1,0,0]=4 25435 B12R0.57 CCC(CC)CCNCCCCF ad6d7a7394c250e4c4f80fa1b238cb5b [0,3,0,0,0,0|1,0,0]=4 25436 B12R0.57 CCC(CC)CCNCCCCO 3f07ff3679f66162be8471656f4895d2 [0,3,0,0,0,0|1,0,0]=4 25437 B12R0.57 CCC(CC)CCNCCCOC 3f9103c09acc4e3755a2ff0c996f8399 [0,3,0,0,0,0|1,0,0]=4 25438 B12R0.57 CCC(CC)CCNCCCSC 96012bba8f9498eaac775dc5da77fd6a [0,3,0,0,0,0|1,0,0]=4 25439 B12R0.57 CCC(CC)CNCCCCCCl 23b261ec77057925d5529bc01f8a4fd0 [0,3,0,0,0,0|1,0,0]=4 25440 B12R0.57 CCC(CC)CNCCCCCF 3cf0addbbd2618f953b2035d98701d32 [0,3,0,0,0,0|1,0,0]=4 25441 B12R0.57 CCC(CC)CNCCCCCO 386bd128095585f29498a76231bc255c [0,3,0,0,0,0|1,0,0]=4 25442 B12R0.57 CCC(CC)CNCCCCOC 1e3b9b8079d6bbf80f5cc43102d6970d [0,3,0,0,0,0|1,0,0]=4 25443 B12R0.57 CCC(CC)CNCCCCSC 0be4291ded8f1cadb088aea31cb2a098 [0,3,0,0,0,0|1,0,0]=4 25444 B12R0.57 CCC(CC)CNCOCCOC b36ccc2b3ff0a01279962296af04bd5c [0,3,0,0,0,0|1,0,0]=4 25445 B12R0.57 CCC(CC)COCCCCC#N 7a4535676b35a04421d90b26fa73560e [0,3,0,0,0,0|0,0,1]=4 25446 B12R0.57 CCC(CC)COCCCCC=O 55292100681e43147db5d6721ccfe551 [0,3,0,0,0,0|0,0,1]=4 25447 B12R0.57 CCC(CC)COCCCCCF fcc8db7b419a649cc330f4d04483b826 [0,3,0,0,0,0|0,0,0]=3 25448 B12R0.57 CCC(CC)COCCCCOC 75ab6173b5848ce975ac2007655004cd [0,3,0,0,0,0|0,0,0]=3 25449 B12R0.57 CCC(CC)COCCCCSC fe591c686b4ccba8e3901d31e53837e1 [0,3,0,0,0,0|0,0,0]=3 25450 B12R0.57 CCC(CC)COCCOCCF 7e8c85b874ac3a69de386daec3334c4b [0,3,0,0,0,0|1,0,0]=4 25451 B12R0.57 CCC(CC)COCCOCCS af994077aadb6190d487f3269453c872 [0,3,0,0,0,0|1,0,0]=4 25452 B12R0.57 CCC(CC)COCCOCOC 5f381f10518fd3188732266cf89ab5a1 [0,3,0,0,0,0|1,0,0]=4 25453 B12R0.57 CCC(CC)COCOCCOC bf36707b4692bb9c275ffd4af4a56165 [0,3,0,0,0,0|1,0,0]=4 25454 B12R0.57 CCC(CC)NCCOCCCO f34d53dcc340eed9603646e157512f1a [0,3,0,0,0,0|1,0,0]=4 25455 B12R0.57 CCC(CC)NCCOCCOC 48a73f4e625838524df6ab637f29557f [0,3,0,0,0,0|1,0,0]=4 25456 B12R0.57 CCC(CC)OCCOCCOC e5021ba4be8cd6bf7d4600aea01d939b [0,3,0,0,0,0|1,0,0]=4 25457 B12R0.57 CCC(CO)CNCCCCCCl dca5d7b0546a30cc12da29c8f70eb4e0 [0,3,0,0,0,0|1,0,0]=4 25458 B12R0.57 CCC(CO)CNCCCCCF 9beab1734e99b17bf59528e4462815ca [0,3,0,0,0,0|1,0,0]=4 25459 B12R0.57 CCC(CO)CNCCCCCO 604000cd76e3e6a829958b5f24856277 [0,3,0,0,0,0|1,0,0]=4 25460 B12R0.57 CCC(CO)CNCCCCOC 370573c8d82acbdc8f52ee5a01d6b0b4 [0,3,0,0,0,0|1,0,0]=4 25461 B12R0.57 CCC(CO)CNCCCCSC ea59e3003e98e7678367a16b9e28c250 [0,3,0,0,0,0|1,0,0]=4 25462 B12R0.57 CCC(CO)CNCOCCOC 7bff67625cd7f6f5b6f04fb124dd96c5 [0,3,0,0,0,0|1,0,0]=4 25463 B12R0.57 CCC(CO)NCCOCCCO 1acd85849b29de09f81328af4ff73d48 [0,3,0,0,0,0|1,0,0]=4 25464 B12R0.57 CCC(CO)NCCOCCOC 39de09d3815a4eb046855be01582f93b [0,3,0,0,0,0|1,0,0]=4 25465 B12R0.57 CCC(COCCCCC#N)OC 7f6be96edc630cbb5e37525592d6b858 [0,3,0,0,0,0|0,0,1]=4 25466 B12R0.57 CCC(COCCCCC=O)OC 54752ecaa01c9811da6f1bc24b4c2561 [0,3,0,0,0,0|0,0,1]=4 25467 B12R0.57 CCC(COCCCCCF)OC e3d5d69b92dc8707b329b08bae104cf2 [0,3,0,0,0,0|0,0,0]=3 25468 B12R0.57 CCC(COCCCCOC)OC 602eebe5906e4e19945e7f1bb85e4f42 [0,3,0,0,0,0|0,0,0]=3 25469 B12R0.57 CCC(COCCOCOC)OC 41b1420e25c6ee4220354216e8d12a43 [0,3,0,0,0,0|1,0,0]=4 25470 B12R0.57 CCC(COCOCCOC)OC 990a884a97715cbe700e035d1b34507a [0,3,0,0,0,0|1,0,0]=4 25471 B12R0.57 CCC/C=C/COCC(CC)CC 8c5443d86f19646f646503468aa14784 [0,3,0,0,0,0|0,0,1]=4 25472 B12R0.57 CCC/C=C/COCC(CC)OC 55cd8ee437fdb0d4990e811de86da923 [0,3,0,0,0,0|0,0,1]=4 25473 B12R0.57 CCC/C=C\COCC(CC)CC 6753706f06e93929f45b9bd7b8ce2da1 [0,3,0,0,0,0|0,0,1]=4 25474 B12R0.57 CCC/C=C\COCC(CC)OC f9266e3d4e505b7d7451fe27157f6019 [0,3,0,0,0,0|0,0,1]=4 25475 B12R0.57 CCCC#CCOCC(CC)CC 10536ee6477c8aadcff8d69b4dc0a076 [0,3,0,0,0,0|0,0,1]=4 25476 B12R0.57 CCCCCCCNC(C=O)CC 4fc8f140f81657408ffbc94966f2d9d1 [0,3,0,0,0,0|1,0,0]=4 25477 B12R0.57 CCCCCCCNC(CC)CC 6fa576b0cc5a85fc95439ec42c3c48cb [0,3,0,0,0,0|1,0,0]=4 25478 B12R0.57 CCCCCCCNC(CC)CO 1bce541f1de05c4909a726e043500e3d [0,3,0,0,0,0|1,0,0]=4 25479 B12R0.57 CCCCCCCN[C@@H](CC)CO 7188f63edf565b714626a07043c76a27 [0,3,0,0,0,0|1,0,0]=4 25480 B12R0.57 CCCCCCCN[C@H](CC)CO bd18bc42bf02c1a64c48f249b2e2d33c [0,3,0,0,0,0|1,0,0]=4 25481 B12R0.57 CCCCCCCOC(C#N)CC 8c275c2f229e8342fcbb53211ea989bc [0,3,0,0,0,0|1,0,0]=4 25482 B12R0.57 CCCCCCCOC(C=O)CC 62549cea1d8eb65bc4b3ce1d08164ba0 [0,3,0,0,0,0|1,0,0]=4 25483 B12R0.57 CCCCCCCOC(CC)CC 03aec96900ef377eaa9a1a9163c7af77 [0,3,0,0,0,0|1,0,0]=4 25484 B12R0.57 CCCCCCNCC(CC)CC c74a855bce48bbb3f4cab9e489b700ec [0,3,0,0,0,0|1,0,0]=4 25485 B12R0.57 CCCCCCNCC(CC)CO 943c266aabeb6b5a30b75cc41078e3a4 [0,3,0,0,0,0|1,0,0]=4 25486 B12R0.57 CCCCCCOCC(CBr)CBr 540ab07b8edb7fe3828416b58596c574 [0,3,0,0,0,0|1,0,0]=4 25487 B12R0.57 CCCCCCOCC(CC)CC b2d1e20b24a9d16d730a52d04f2da6d6 [0,3,0,0,0,0|0,0,0]=3 25488 B12R0.57 CCCCCCOCC(CC)OC 9b30d2c3cc7fe529f780ef2d6e002068 [0,3,0,0,0,0|0,0,0]=3 25489 B12R0.57 CCCCCCOCC(OC)OC 104727076fdb180b3fd35929cfd9e726 [0,3,0,0,0,0|1,0,0]=4 25490 B12R0.57 CCCCCCOCN(CC)CC 5b7e54768a947c95186e77ed4e2726c2 [0,3,0,0,0,0|1,0,0]=4 25491 B12R0.57 CCCCCNCCC(CC)CC 1ebd7ab45e967ceb16b045234a83ee8d [0,3,0,0,0,0|1,0,0]=4 25492 B12R0.57 CCCCCNCCC(CO)CO 9408126cfebc3dcbf4d626e1e1f0572f [0,3,0,0,0,0|1,0,0]=4 25493 B12R0.57 CCCCCNCCC(OC)OC 7d380404f3c25a152a5a4714e2ffd997 [0,3,0,0,0,0|1,0,0]=4 25494 B12R0.57 CCCCCNCCN(CC)CC fb0f23bf7e4ca44013ec1445574e0f9d [0,3,0,0,0,0|1,0,0]=4 25495 B12R0.57 CCCCCOCCC(OC)OC 75e93b92b1130983a4cfde68f7b1d6e4 [0,3,0,0,0,0|0,0,0]=3 25496 B12R0.57 CCCCCOCCN(CC)CC 024272be2111f784ef65a152602d9199 [0,3,0,0,0,0|0,0,0]=3 25497 B12R0.57 CCCCNCCCC(OC)OC b4197ab035f120b52a755eeb0490d28a [0,3,0,0,0,0|1,0,0]=4 25498 B12R0.57 CCCCNCCCN(CC)CC ac443b3f7c97ca5adb0a78d9ed655ff4 [0,3,0,0,0,0|1,0,0]=4 25499 B12R0.57 CCCCOCCCC(OC)OC 9281fd15030792925728d5f748f8c0f5 [0,3,0,0,0,0|0,0,0]=3 25500 B12R0.57 CCCCOCCCN(CC)CC 80f170073a3f866ba0307f5d9a64ac8a [0,3,0,0,0,0|0,0,0]=3 25501 B12R0.57 CCCCOCCNC(C=O)CC dbd78c16e68baec2bd2d7b2c8cb4ca81 [0,3,0,0,0,0|0,0,0]=3 25502 B12R0.57 CCCCOCCNC(CC)CC ce900c228c4a3dbb4e38c15fa372cd34 [0,3,0,0,0,0|0,0,0]=3 25503 B12R0.57 CCCCOCCNC(CC)CO 43b985bc656504a182a24b0497bc8cdb [0,3,0,0,0,0|0,0,0]=3 25504 B12R0.57 CCCCOCCNC(CO)CO ee59bac150d43f6a35761b4890ce50c8 [0,3,0,0,0,0|1,0,0]=4 25505 B12R0.57 CCCCOCCN[C@@H](CC)CO 72c2232ad19b59008989128344f55da3 [0,3,0,0,0,0|0,0,0]=3 25506 B12R0.57 CCCCOCCN[C@H](CC)CO 9fb2dbcaf76278355c8b8cd2ce7eb050 [0,3,0,0,0,0|0,0,0]=3 25507 B12R0.57 CCCCOCCOC(C#N)CC ddb25bc9d5a7c9a56b915f5e3c498e33 [0,3,0,0,0,0|0,0,0]=3 25508 B12R0.57 CCCCOCCOC(C=O)CC 74837521d33eec1fac79bd4b01ca085a [0,3,0,0,0,0|0,0,0]=3 25509 B12R0.57 CCCCOCCOC(CBr)CBr 663aa9d7850fc4199b70a0ef125236d1 [0,3,0,0,0,0|1,0,0]=4 25510 B12R0.57 CCCCOCCOC(CC)CC 971603333de1377c968893ab1d9b9b6a [0,3,0,0,0,0|0,0,0]=3 25511 B12R0.57 CCCCOCCOC(CCl)CBr 7f0075b34b4fd1462847b89f9f26c0c9 [0,3,0,0,0,0|1,0,0]=4 25512 B12R0.57 CCCCOCCOC(CCl)CCl fbe9c7f430607292d183e09e5268760d [0,3,0,0,0,0|1,0,0]=4 25513 B12R0.57 CCCCOCCOC(CF)CF 79594b5c0252dd28b476362ff6b31f13 [0,3,0,0,0,0|1,0,0]=4 25514 B12R0.57 CCCCOCCOC(CO)CO 84299e457c9ecf972c9663d82fd5a8ba [0,3,0,0,0,0|1,0,0]=4 25515 B12R0.57 CCCCOCCO[C@@H](CCl)CI 3cdfbc8fd2f929fe52a7981cf5793afa [0,3,0,0,0,0|1,0,0]=4 25516 B12R0.57 CCCCOCCO[C@H](CCl)CI 8e0bb97e1b5052f7a6315193a79cfd3a [0,3,0,0,0,0|1,0,0]=4 25517 B12R0.57 CCCCOCNCC(CC)CC e275757791c0591738d6feada2432759 [0,3,0,0,0,0|0,0,0]=3 25518 B12R0.57 CCCCOCNCC(CC)CO cf6a12b532f8ce254c3f15e100a7e68c [0,3,0,0,0,0|0,0,0]=3 25519 B12R0.57 CCCCOCNCC(CO)CO 05ffe25eed1325e1aeae4901ca3a4b8c [0,3,0,0,0,0|1,0,0]=4 25520 B12R0.57 CCCCOCNCC(OC)OC c0ea1a43a9ac4d7a61074334c775d2a9 [0,3,0,0,0,0|1,0,0]=4 25521 B12R0.57 CCCCOCNC[C@H](CO)OC 8998bfdf7fd16d09b16ef468b1c944ef [0,3,0,0,0,0|1,0,0]=4 25522 B12R0.57 CCCCOCOCC(CBr)CBr 9bd2d4e7e6403d90e26016812e7974c0 [0,3,0,0,0,0|1,0,0]=4 25523 B12R0.57 CCCCOCOCC(CC)CC 019071a7d2cd68aa1e256e3e48e00db6 [0,3,0,0,0,0|0,0,0]=3 25524 B12R0.57 CCCCOCOCC(CC)OC 7d104593ae72add26a677c4efa5db50a [0,3,0,0,0,0|0,0,0]=3 25525 B12R0.57 CCCCOCOCC(OC)OC 1d97421dc04b7e0775f96c64c633c3b3 [0,3,0,0,0,0|1,0,0]=4 25526 B12R0.57 CCCCOCOCN(CC)CC 7cf3f0f0e5346a33c1f4248e5dae4329 [0,3,0,0,0,0|1,0,0]=4 25527 B12R0.57 CCCCSCCOC(C=O)CC 3b44dbd5bb9ae5e8976b98f7b90edf2e [0,3,0,0,0,0|0,1,0]=4 25528 B12R0.57 CCCCSCCOC(CC)CC ce8653356ee0f2804f3242b8b94b094f [0,3,0,0,0,0|0,1,0]=4 25529 B12R0.57 CCCNCCOCC(OC)OC 275846208048a5e10d36b038149c3493 [0,3,0,0,0,0|1,0,0]=4 25530 B12R0.57 CCCOCCNCC(CC)CC f6195702b4c2f27a992c378375b9fb58 [0,3,0,0,0,0|1,0,0]=4 25531 B12R0.57 CCCOCCNCC(CC)CO a6f91e4de27773fa23e64c493a7523cd [0,3,0,0,0,0|1,0,0]=4 25532 B12R0.57 CCCOCCOCC(CBr)CBr e9d897376991a22831b71edf75be5a12 [0,3,0,0,0,0|1,0,0]=4 25533 B12R0.57 CCCOCCOCC(CC)CC dd4e0fb0d963649e20c0b19c57be1bcd [0,3,0,0,0,0|0,0,0]=3 25534 B12R0.57 CCCOCCOCC(CC)OC 3b551cfbc551d4a2cb86e667520705dc [0,3,0,0,0,0|0,0,0]=3 25535 B12R0.57 CCCOCCOCC(OC)OC 360b947c0f177a91ba88d5868a9ebbc0 [0,3,0,0,0,0|1,0,0]=4 25536 B12R0.57 CCCOCCOCN(CC)CC 13924ecccdbf948a31dc2d1cd9c73106 [0,3,0,0,0,0|1,0,0]=4 25537 B12R0.57 CCCSCCOCC(CC)CC 87bd896972964be8b0538c3142ebfbe5 [0,3,0,0,0,0|0,0,0]=3 25538 B12R0.57 CCCSCCOCC(OC)OC b8c8514359f839a90503d03a51a3f2fa [0,3,0,0,0,0|1,0,0]=4 25539 B12R0.57 CCN(CC)CCCOCCCF 26c41afab81040784dd520885f6b4a80 [0,3,0,0,0,0|1,0,0]=4 25540 B12R0.57 CCN(CC)CCCOCCCS 05f314146a2e5a4f119a57ed42f39d25 [0,3,0,0,0,0|1,0,0]=4 25541 B12R0.57 CCN(CC)CCCOCCOC 8b865c146558bbe9f8a66b52e0276534 [0,3,0,0,0,0|1,0,0]=4 25542 B12R0.57 CCN(CC)CCCOCCSC 45cb0cbb9c3db1d68e286bff7495b26b [0,3,0,0,0,0|1,0,0]=4 25543 B12R0.57 CCN(CC)CCOCCCCF 07b3b3d0fefabc1b3712d1f57b81ef43 [0,3,0,0,0,0|1,0,0]=4 25544 B12R0.57 CCN(CC)CCOCCCOC 0fed9ec09903aa1c652ca51036307a4d [0,3,0,0,0,0|1,0,0]=4 25545 B12R0.57 CCN(CC)CCOCCCSC ab8bc616dff459c1c71b5e58bd9b92eb [0,3,0,0,0,0|1,0,0]=4 25546 B12R0.57 CCN(CC)COCCCCCF 540d9077ff3f730d4fb5963eb375afe8 [0,3,0,0,0,0|1,0,0]=4 25547 B12R0.57 CCN(CC)COCCCCOC 2bd088c2e895f26448ceaa3f74dab54d [0,3,0,0,0,0|1,0,0]=4 25548 B12R0.57 CCOCCCNCC(CC)CC 9b1334d24b8e1bcfdef2e22ae78b2222 [0,3,0,0,0,0|1,0,0]=4 25549 B12R0.57 CCOCCCNCC(CC)CO 297bcef5c2f1a58f858750277c64c798 [0,3,0,0,0,0|1,0,0]=4 25550 B12R0.57 CCOCCCOCC(CBr)CBr 04021c246f4ce9c2c50f4a349adabe27 [0,3,0,0,0,0|1,0,0]=4 25551 B12R0.57 CCOCCCOCC(CC)CC ee2b6bac80d7df555483a5ee25954965 [0,3,0,0,0,0|0,0,0]=3 25552 B12R0.57 CCOCCCOCC(CC)OC 3f5ff66c15c248d1ea62d126910e95a8 [0,3,0,0,0,0|0,0,0]=3 25553 B12R0.57 CCOCCCOCC(OC)OC 66512efc3d0881d9146dbb51eb2ab6bb [0,3,0,0,0,0|1,0,0]=4 25554 B12R0.57 CCOCCCOCN(CC)CC 0553bb51718616a36b4db6fcc54216ee [0,3,0,0,0,0|1,0,0]=4 25555 B12R0.57 CCOCCNCCC(CC)CC 9cedce36eee50c6200f6477ebc0db063 [0,3,0,0,0,0|1,0,0]=4 25556 B12R0.57 CCOCCOCCC(OC)OC 7f75539ec8f91b25d4e60fc2cc933ba5 [0,3,0,0,0,0|1,0,0]=4 25557 B12R0.57 CCOCCOCCN(CC)CC 0ce39cc25e821516bd21af26e3e1d2e8 [0,3,0,0,0,0|1,0,0]=4 25558 B12R0.57 CCOCOCCCN(CC)CC 386ec5dd543139133b997b9900bc642a [0,3,0,0,0,0|1,0,0]=4 25559 B12R0.57 CCSCCCNCC(CC)CC ce03e135937095683a25a1acb76ceabe [0,3,0,0,0,0|1,0,0]=4 25560 B12R0.57 CCSCCCNCC(CC)CO d4bfb503d40beaf78bad44fd1a945709 [0,3,0,0,0,0|1,0,0]=4 25561 B12R0.57 CCSCCCOCC(CBr)CBr bfa55e839a6cc330f8dd14b3d4c1b504 [0,3,0,0,0,0|1,0,0]=4 25562 B12R0.57 CCSCCCOCC(CC)CC 21a8e68df9ce0c105faa287fecb3e8ff [0,3,0,0,0,0|0,0,0]=3 25563 B12R0.57 CCSCCCOCC(CC)OC d3fa4efbb1e701dbdc300f0c7ca857ef [0,3,0,0,0,0|0,0,0]=3 25564 B12R0.57 CCSCCCOCC(OC)OC 7c1f0a1cda77aaec63a31313158a4ab6 [0,3,0,0,0,0|1,0,0]=4 25565 B12R0.57 CCSCCCOCN(CC)CC e5dfc80c5a2cbcd1402a31ed166e491a [0,3,0,0,0,0|1,0,0]=4 25566 B12R0.57 CCSCCNCCC(CC)CC a28f787faeca0a252a19860b4cd96195 [0,3,0,0,0,0|1,0,0]=4 25567 B12R0.57 CCSCCOCCC(OC)OC 6f018b43c7c58267dc9fb71c975ac456 [0,3,0,0,0,0|1,0,0]=4 25568 B12R0.57 CCSCCOCCN(CC)CC 6a9bcaf8840c2c339d589c7d7d6e7aaa [0,3,0,0,0,0|1,0,0]=4 25569 B12R0.57 CC[C@@H](CO)NCCOCCOC c836687aeb5e9e137b802ae6e8063288 [0,3,0,0,0,0|1,0,0]=4 25570 B12R0.57 CC[C@H](CO)NCCOCCOC b984270185d510a458a9df544270589c [0,3,0,0,0,0|1,0,0]=4 25571 B12R0.57 COC(CCCOCCCF)OC be8476438624f0d3a6755920487fa660 [0,3,0,0,0,0|1,0,0]=4 25572 B12R0.57 COC(CCCOCCCS)OC eb631b82804f995388d43330514e0363 [0,3,0,0,0,0|1,0,0]=4 25573 B12R0.57 COC(CCCOCCSC)OC 2ae20785a9d50cf3caaacfac2f2ca6f5 [0,3,0,0,0,0|1,0,0]=4 25574 B12R0.57 COC(CCOCCCCF)OC fa55c512ac0ee75206b5c0cdac1b5173 [0,3,0,0,0,0|1,0,0]=4 25575 B12R0.57 COC(CCOCCCCS)OC 32df13377d18b4a44a6e78b3f94f00be [0,3,0,0,0,0|1,0,0]=4 25576 B12R0.57 COC(CCOCCCSC)OC a15c69c67c1ae6664161a8c8420f90da [0,3,0,0,0,0|1,0,0]=4 25577 B12R0.57 COC(COCCCCCF)OC 7439cb0d312f756b5b8b9df7b46465e2 [0,3,0,0,0,0|1,0,0]=4 25578 B12R0.57 COC(COCCCCSC)OC fabb78a1c81a091d6ee8812f20d992c5 [0,3,0,0,0,0|1,0,0]=4 25579 B12R0.57 COCCCCOCC(CBr)CBr f3abe45b8a0f78946db1a2420e764996 [0,3,0,0,0,0|1,0,0]=4 25580 B12R0.57 COCCCCOCC(OC)OC 8f86969aa4b5d4dea478c2284c9aac90 [0,3,0,0,0,0|1,0,0]=4 25581 B12R0.57 COCCCOCCC(OC)OC 9e79d77d8b40758c17086aba3daff58c [0,3,0,0,0,0|1,0,0]=4 25582 B12R0.57 COCCOCCCC(OC)OC c93819f31e30aae4f03458dc25146caa [0,3,0,0,0,0|1,0,0]=4 25583 B12R0.57 FCCCCCOCC(CBr)CBr e36c49c92f753b909319945fb7e61cd1 [0,3,0,0,0,0|1,0,0]=4 25584 B12R0.142 C=C(CC)COC(C)CCCCC 1566353bf84cabad66f4e06d820cfcb5 [0,3,0,0,0,0|0,0,1]=4 25585 B12R0.142 C=C(CC)COC(C)COCCC b678d57aa1decc4c4aa862f377a87c8e [0,3,0,0,0,0|0,0,1]=4 25586 B12R0.142 C=C(CC)CO[C@@H](C)CCCCC f5fd833be619950059010af27bdb3bdd [0,3,0,0,0,0|0,0,1]=4 25587 B12R0.142 C=C(CC)CO[C@H](C)CCCCC db239a1717e62d69534787bf5f3fd9f1 [0,3,0,0,0,0|0,0,1]=4 25588 B12R0.142 C=CCCC[C@H](C)OCC(C)CC cba3fffb3b285039a4b8be61ccabb170 [0,3,0,0,0,0|0,0,1]=4 25589 B12R0.142 C=CCCC[C@H](C)OC[C@@H](C)CC 84be01b700adc06361a482a9f0af9f57 [0,3,0,0,0,0|0,0,1]=4 25590 B12R0.142 C=CCCC[C@H](C)OC[C@H](C)CC 3de080d2785160320ad2947d2f1fba1a [0,3,0,0,0,0|0,0,1]=4 25591 B12R0.142 CCC#CCC(C)OCC(C)CC 82e74ce10a6feaac0b1dbafa8a835c75 [0,3,0,0,0,0|0,0,1]=4 25592 B12R0.142 CCC#CCC(C)OC[C@@H](C)CC beb744d8b079bdb5cf9f8f29ea058d14 [0,3,0,0,0,0|0,0,1]=4 25593 B12R0.142 CCC#CCC(C)OC[C@H](C)CC 75dfa3e608622534bccf50ea16c0de47 [0,3,0,0,0,0|0,0,1]=4 25594 B12R0.142 CCC(C)CCC(C)OCCCF fd2494878e624abe0ea00648af0cbb49 [0,3,0,0,0,0|1,0,0]=4 25595 B12R0.142 CCC(C)CCC(C)OCCCS e5fead569aa0854735f304b4ea52f449 [0,3,0,0,0,0|1,0,0]=4 25596 B12R0.142 CCC(C)CCC(C)OCCOC ceb3b907f7e72eb09590b062057634a4 [0,3,0,0,0,0|1,0,0]=4 25597 B12R0.142 CCC(C)CCC(C)OCCSC b02d3b09ec6a05769ac4652ab69e64fb [0,3,0,0,0,0|1,0,0]=4 25598 B12R0.142 CCC(C)CCN(C)CCCCO 8cf35488cfc040f19018b60270223bec [0,3,0,0,0,0|1,0,0]=4 25599 B12R0.142 CCC(C)CCN(C)CCCOC 3f8b23fb641ea478c68cacef2275a3b6 [0,3,0,0,0,0|1,0,0]=4 25600 B12R0.142 CCC(C)CNC(C)CCCCO 3496a51dce633162a8b641bae89bcda3 [0,3,0,0,0,0|1,0,0]=4 25601 B12R0.142 CCC(O)CNC(C)CCCCO cd395af69f2c605c0e7ea469524cb371 [0,3,0,0,0,0|1,0,0]=4 25602 B12R0.142 CCCCCC(=O)CNC(C)CC 45796e3ae67af7ae1a1a55ddc220157d [0,3,0,0,0,0|1,0,0]=4 25603 B12R0.142 CCCCCC(=O)CN[C@@H](C)CC e5da2bcfd027c57b6b040f2c7b866255 [0,3,0,0,0,0|1,0,0]=4 25604 B12R0.142 CCCCCC(=O)CN[C@H](C)CC 46e2367f440f5bdedc29c6c94a2075d8 [0,3,0,0,0,0|1,0,0]=4 25605 B12R0.142 CCCCCC(=O)COC(C)CC 23192b3ebda64854f286ec1c8f950bdf [0,3,0,0,0,0|1,0,0]=4 25606 B12R0.142 CCCCCC(=O)CO[C@@H](C)CC e1cbac3306adcc53aaeeb6d0184018e2 [0,3,0,0,0,0|1,0,0]=4 25607 B12R0.142 CCCCCC(=O)CO[C@H](C)CC cf8f4dad1628751fbe7598eda14a8308 [0,3,0,0,0,0|1,0,0]=4 25608 B12R0.142 CCCCCC(=O)NCC(C)CC 9b0be60c3928075cde25e32a8763441e [0,3,0,0,0,0|1,0,0]=4 25609 B12R0.142 CCCCCC(=O)NCC(O)CC ef47ec37c0867d69ba11da5584f901f8 [0,3,0,0,0,0|1,0,0]=4 25610 B12R0.142 CCCCCC(=O)NC[C@@H](C)CC 4214fb11e95546a6e2241fce4676f290 [0,3,0,0,0,0|1,0,0]=4 25611 B12R0.142 CCCCCC(=O)NC[C@H](O)CC 09dd4a91f399b93eb7972495cfd32a39 [0,3,0,0,0,0|1,0,0]=4 25612 B12R0.142 CCCCCC(=O)OCN(C)CC 2d6c158e513535f65e436195ae49adff [0,3,0,0,0,0|1,0,0]=4 25613 B12R0.142 CCCCCC(C)COC(C)CC 7fae0f7ee26f4e55a77eb6760b855867 [0,3,0,0,0,0|1,0,0]=4 25614 B12R0.142 CCCCCC(C)NCC(C)CC 882b20a652fc1842363f2dd79618eb5c [0,3,0,0,0,0|1,0,0]=4 25615 B12R0.142 CCCCCC(C)NCC(O)CC 3556a64d9aeefbde76bb21d08c80fd96 [0,3,0,0,0,0|1,0,0]=4 25616 B12R0.142 CCCCCC(C)NC[C@@H](C)CC c57727a86ca38ccafcd0f17a95a6780d [0,3,0,0,0,0|1,0,0]=4 25617 B12R0.142 CCCCCC(C)NC[C@H](C)CC 989fdf92620978ae0cb0f0886d00d57a [0,3,0,0,0,0|1,0,0]=4 25618 B12R0.142 CCCCCC(C)NC[C@H](O)CC 85caf4d11d82eab438a2da718b89d529 [0,3,0,0,0,0|1,0,0]=4 25619 B12R0.142 CCCCCC(C)OCC(=O)CC 1c30785791afb4721027d7aa4535e579 [0,3,0,0,0,0|0,0,1]=4 25620 B12R0.142 CCCCCC(C)OCC(Br)CBr 3194d91b03e77c4091b123b23eb571ab [0,3,0,0,0,0|1,0,0]=4 25621 B12R0.142 CCCCCC(C)OCC(C)CC 3d5c8d960dcec653f5679dc099b46b4a [0,3,0,0,0,0|0,0,0]=3 25622 B12R0.142 CCCCCC(C)OCC(C)OC 1a76d45215681a26f3ce2409366a9c37 [0,3,0,0,0,0|1,0,0]=4 25623 B12R0.142 CCCCCC(C)OCC(Cl)CCl 9a3e1fb97b9b026ddffcff0b4ed4c3cb [0,3,0,0,0,0|1,0,0]=4 25624 B12R0.142 CCCCCC(C)OCC(O)CO 939439442524fdd04926be8fa47ec251 [0,3,0,0,0,0|1,0,0]=4 25625 B12R0.142 CCCCCC(C)OCC(S)CS f9cba003c147903ea5e96b2e2d19a736 [0,3,0,0,0,0|1,0,0]=4 25626 B12R0.142 CCCCCC(C)OC[C@@H](C)CC 0aeceaefd472f58dc95b2e6a7d387e7b [0,3,0,0,0,0|0,0,0]=3 25627 B12R0.142 CCCCCC(C)OC[C@@H](C)OC 48a56e00bf0fc81b17e56dff362042da [0,3,0,0,0,0|1,0,0]=4 25628 B12R0.142 CCCCCC(C)OC[C@@H](O)CO bcec9867806cd972c6a1517502080b80 [0,3,0,0,0,0|1,0,0]=4 25629 B12R0.142 CCCCCC(C)OC[C@H](C)CC 779d0a58b48b745d201de827482e0547 [0,3,0,0,0,0|0,0,0]=3 25630 B12R0.142 CCCCCC(C)OC[C@H](C)OC de2e2f20abfff2209775c9c6ab91d621 [0,3,0,0,0,0|1,0,0]=4 25631 B12R0.142 CCCCCC(C)OC[C@H](O)CO 9874c68408b871b6dcf15a92f685557a [0,3,0,0,0,0|1,0,0]=4 25632 B12R0.142 CCCCCN(C)CCC(C)CC d0724caef9a575629f073d11d725827a [0,3,0,0,0,0|1,0,0]=4 25633 B12R0.142 CCCCCN(C)CCC(C)CO f11d496247232275e874de309837ad59 [0,3,0,0,0,0|1,0,0]=4 25634 B12R0.142 CCCCCN(C)CCN(C)CC 44f4501e2017343d8faf3ee6525b8a1c [0,3,0,0,0,0|1,0,0]=4 25635 B12R0.142 CCCCC[C@@H](C)OCC(=O)CC a84236230bdc968089833c76504ec058 [0,3,0,0,0,0|0,0,1]=4 25636 B12R0.142 CCCCC[C@@H](C)OCC(C)CC 28ed756d47ebf08714150d2fdd2ce5fd [0,3,0,0,0,0|0,0,0]=3 25637 B12R0.142 CCCCC[C@@H](C)OCC(C)OC cd493dc745121ac4a7bc3c0ea4f4f475 [0,3,0,0,0,0|1,0,0]=4 25638 B12R0.142 CCCCC[C@@H](C)OCC(O)CO 61e8730d2273ec658516681bfbefbf25 [0,3,0,0,0,0|1,0,0]=4 25639 B12R0.142 CCCCC[C@@H](C)OC[C@@H](C)CC 7f64dc36c9d8d63a6853245b291b70f0 [0,3,0,0,0,0|0,0,0]=3 25640 B12R0.142 CCCCC[C@@H](C)OC[C@@H](C)OC 1200dc6906c58d8f90242f63488a5b4e [0,3,0,0,0,0|1,0,0]=4 25641 B12R0.142 CCCCC[C@@H](C)OC[C@@H](O)CO 70e75339a11762397c1f5992be32ea32 [0,3,0,0,0,0|1,0,0]=4 25642 B12R0.142 CCCCC[C@@H](C)OC[C@H](C)CC 47941fff3d162c067c85dc0a7c59e6c5 [0,3,0,0,0,0|0,0,0]=3 25643 B12R0.142 CCCCC[C@@H](C)OC[C@H](C)OC 80cf78460cffc25830cee58c27f039a4 [0,3,0,0,0,0|1,0,0]=4 25644 B12R0.142 CCCCC[C@@H](C)OC[C@H](O)CO e7e91cb46ffbf9f4543f0510dcdf0852 [0,3,0,0,0,0|1,0,0]=4 25645 B12R0.142 CCCCC[C@H](C)NCC(C)CC f520ec69b6e669f69cb8269285d92df4 [0,3,0,0,0,0|1,0,0]=4 25646 B12R0.142 CCCCC[C@H](C)NCC(O)CC c6352bd4563337f4115d3947cc27e892 [0,3,0,0,0,0|1,0,0]=4 25647 B12R0.142 CCCCC[C@H](C)NC[C@@H](C)CC f1b2067a3167925d5ac51b83fcc8c59b [0,3,0,0,0,0|1,0,0]=4 25648 B12R0.142 CCCCC[C@H](C)NC[C@H](C)CC 3d519e96cf8ce955e43ded9cbdb55b7f [0,3,0,0,0,0|1,0,0]=4 25649 B12R0.142 CCCCC[C@H](C)NC[C@H](O)CC d74e208f90b094ff20e3fe4252f28814 [0,3,0,0,0,0|1,0,0]=4 25650 B12R0.142 CCCCC[C@H](C)OCC(=O)CC 535ebec0591b84fab7d612a812393cc2 [0,3,0,0,0,0|0,0,1]=4 25651 B12R0.142 CCCCC[C@H](C)OCC(Br)CBr 3d241d2511b8d35787165181e47134e7 [0,3,0,0,0,0|1,0,0]=4 25652 B12R0.142 CCCCC[C@H](C)OCC(C)CC 0f7ce1882dc5e8f4d454480e793b924d [0,3,0,0,0,0|0,0,0]=3 25653 B12R0.142 CCCCC[C@H](C)OCC(C)OC 922cb46ea378502fed16ee171995c2d0 [0,3,0,0,0,0|1,0,0]=4 25654 B12R0.142 CCCCC[C@H](C)OCC(Cl)CCl 3c659d30d2cc011a8aaa6e203d7d8f12 [0,3,0,0,0,0|1,0,0]=4 25655 B12R0.142 CCCCC[C@H](C)OCC(O)CO 2b1976259f8a26fb9d0046ef077576ad [0,3,0,0,0,0|1,0,0]=4 25656 B12R0.142 CCCCC[C@H](C)OCC(S)CS 913e33fdc5c0323f8606f1caf27a4a5c [0,3,0,0,0,0|1,0,0]=4 25657 B12R0.142 CCCCC[C@H](C)OC[C@@H](C)CC f59bb34eedd7b64e352465f9f9c374f3 [0,3,0,0,0,0|0,0,0]=3 25658 B12R0.142 CCCCC[C@H](C)OC[C@@H](C)OC 3b47b1e7ef36dc396e2443107b7b0abf [0,3,0,0,0,0|1,0,0]=4 25659 B12R0.142 CCCCC[C@H](C)OC[C@@H](O)CO 8ecc27360ed64de3e5fde7a5b2b98bfb [0,3,0,0,0,0|1,0,0]=4 25660 B12R0.142 CCCCC[C@H](C)OC[C@H](C)CC ae409f441be78edf2c190e8be984843e [0,3,0,0,0,0|0,0,0]=3 25661 B12R0.142 CCCCC[C@H](C)OC[C@H](C)OC 296f56ed7c7421117da9976fa6c11be1 [0,3,0,0,0,0|1,0,0]=4 25662 B12R0.142 CCCCC[C@H](C)OC[C@H](O)CO 2b55fc353ce662cac1a368c4df08f710 [0,3,0,0,0,0|1,0,0]=4 25663 B12R0.142 CCCCNC(=O)CCC(C)CC 5a76dad5a9c89e4d1e391aa5fb2e1da8 [0,3,0,0,0,0|1,0,0]=4 25664 B12R0.142 CCCCOC(=O)CNC(C)CC 68086417e0a9853aa9e9b96ad188c27d [0,3,0,0,0,0|0,0,1]=4 25665 B12R0.142 CCCCOC(=O)CN[C@@H](C)CC e262a897f7fd88de3b1398fd2bd9d879 [0,3,0,0,0,0|0,0,1]=4 25666 B12R0.142 CCCCOC(=O)CN[C@H](C)CC bdbd5c513adef82acf454ed608b29605 [0,3,0,0,0,0|0,0,1]=4 25667 B12R0.142 CCCCOC(=O)COC(C)CC 0c44cc48e8f02c98cc913328a03e89ca [0,3,0,0,0,0|0,0,1]=4 25668 B12R0.142 CCCCOC(=O)CO[C@@H](C)CC 5218594d191bbb6f92d43dca43e20085 [0,3,0,0,0,0|0,0,1]=4 25669 B12R0.142 CCCCOC(=O)CO[C@H](C)CC b5cd214eb588cbd0ec7fd7607db9682c [0,3,0,0,0,0|0,0,1]=4 25670 B12R0.142 CCCCOC(C)CCC(=O)OC 1dbd7781bb0e17b6f93f15da3f9daea3 [0,3,0,0,0,0|0,0,1]=4 25671 B12R0.142 CCCCOC(C)CCC(C)CC 682c30109e407c6fb19c308436a79163 [0,3,0,0,0,0|0,0,0]=3 25672 B12R0.142 CCCOCC(C)CCC(C)CC 8941abbdc57621f39e551627046d948b [0,3,0,0,0,0|1,0,0]=4 25673 B12R0.142 CCCOCC(C)OCC(=O)CC cc24a4a1af990553a17abcc1f8c4b80e [0,3,0,0,0,0|0,0,1]=4 25674 B12R0.142 CCCOCC(C)OCC(C)CC 170ce527149b41442efa831b48cae54a [0,3,0,0,0,0|0,0,0]=3 25675 B12R0.142 CCCOCC(C)OCC(C)OC 557dbd8606bf7c9a58f7b3abee6d7482 [0,3,0,0,0,0|1,0,0]=4 25676 B12R0.142 CCCOCC(C)OCC(O)CO 69baf80c50d29487a1257e0c5c12ff1a [0,3,0,0,0,0|1,0,0]=4 25677 B12R0.142 CCCOCC(C)OC[C@@H](C)CC 1c671244cf8c884d2f55bf0c604f6035 [0,3,0,0,0,0|0,0,0]=3 25678 B12R0.142 CCCOCC(C)OC[C@@H](C)OC d87e68378a3e3e971f7e3135697f77a6 [0,3,0,0,0,0|1,0,0]=4 25679 B12R0.142 CCCOCC(C)OC[C@@H](O)CO b9522fa231cf23c41fd5621a423f80d8 [0,3,0,0,0,0|1,0,0]=4 25680 B12R0.142 CCCOCC(C)OC[C@H](C)CC 10dd1dbc15bf26b7b325ce3447420c1e [0,3,0,0,0,0|0,0,0]=3 25681 B12R0.142 CCCOCC(C)OC[C@H](C)OC 3fe394f44dd70f347435f148a35649b1 [0,3,0,0,0,0|1,0,0]=4 25682 B12R0.142 CCCOCC(C)OC[C@H](O)CO 26fca2bb5186b535403704bf318c19b1 [0,3,0,0,0,0|1,0,0]=4 25683 B12R0.142 CCOCCN(C)CCC(C)CC bdfd433c936436780698e9de0d8d59c5 [0,3,0,0,0,0|1,0,0]=4 25684 B12R0.142 CC[C@@H](O)CNC(C)CCCCO aad2f6681d4df918cfba1732bc0231c2 [0,3,0,0,0,0|1,0,0]=4 25685 B12R0.142 CC[C@H](C)CNC(C)CCCCO cc6f820be82b889ac4d436647d4dacd7 [0,3,0,0,0,0|1,0,0]=4 25686 B12R0.183 C=C(CC)COCCCC(C)CC 793be5a1c75b115018880a7e0e3c4218 [0,3,0,0,0,0|0,0,1]=4 25687 B12R0.183 C=C(CC)COCCCN(C)CC d40d0ee21988537f3f658260d83477eb [0,3,0,0,0,0|0,0,1]=4 25688 B12R0.183 C=C(CC)COCCC[C@@H](C)CC 8c9cb62987c6e42ce8ce194bb3c9fbe6 [0,3,0,0,0,0|0,0,1]=4 25689 B12R0.183 CCC(=O)COCCCC(C)CC a5317ef2c42e3ae80de26ba9e33316b0 [0,3,0,0,0,0|0,0,1]=4 25690 B12R0.183 CCC(=O)COCCCN(C)CC aaacc654c92ca43aff8572a404ce55db [0,3,0,0,0,0|0,0,1]=4 25691 B12R0.183 CCC(=O)COCCC[C@@H](C)CC 3acf229143851d224686ab0eae09d287 [0,3,0,0,0,0|0,0,1]=4 25692 B12R0.183 CCC(=O)NCCOCC(C)CC 949cb45f693f22d4892ab2655a57093f [0,3,0,0,0,0|0,0,1]=4 25693 B12R0.183 CCC(=O)NCCOC[C@@H](C)CC 484c906530382fa698a4654115ecfcab [0,3,0,0,0,0|0,0,1]=4 25694 B12R0.183 CCC(=O)NCCOC[C@H](C)CC 69b8aea104a84958ace6ac2a4e45c0d7 [0,3,0,0,0,0|0,0,1]=4 25695 B12R0.183 CCC(=O)OCCOCC(C)CC b2b32c7b853ab4a8aa4b687542ce7ba4 [0,3,0,0,0,0|0,0,1]=4 25696 B12R0.183 CCC(=O)OCCOC[C@@H](C)CC 2e8c524c6e1a8c3d95c5f84079137783 [0,3,0,0,0,0|0,0,1]=4 25697 B12R0.183 CCC(=O)OCCOC[C@H](C)CC 7253f5b4ad097d1077d1aeaa7c4b19b4 [0,3,0,0,0,0|0,0,1]=4 25698 B12R0.183 CCC(=O)OCOCCC(C)CC dd12f8a025c89470e7fcb710b46b84a0 [0,3,0,0,0,0|0,0,1]=4 25699 B12R0.183 CCC(=O)OCOCCC(S)CC 8a8c72a1a5ad857b709b5e696532a930 [0,3,0,0,0,0|0,0,1]=4 25700 B12R0.183 CCC(=O)OCOCC[C@@H](C)CC 40c6b63039524eb7af4bffe556521865 [0,3,0,0,0,0|0,0,1]=4 25701 B12R0.183 CCC(C)CCCCOC(C)CC 9a3aab7ffa270bd65fa1a26ed61417bd [0,3,0,0,0,0|1,0,0]=4 25702 B12R0.183 CCC(C)CCCOCC(C)CC 10654c9983b04b8a961fe0cd1a514e7c [0,3,0,0,0,0|0,0,0]=3 25703 B12R0.183 CCC(C)CCCOCC(C)OC bc691cbdaa33231a7478ddb997847511 [0,3,0,0,0,0|1,0,0]=4 25704 B12R0.183 CCC(C)CCCOCC(O)CO ca2faa70fc575cf906553e71705ae9d6 [0,3,0,0,0,0|1,0,0]=4 25705 B12R0.183 CCC(C)CCCOC[C@@H](C)CC 41d72b06da3227ce0dbfa4ff45eaa921 [0,3,0,0,0,0|0,0,0]=3 25706 B12R0.183 CCC(C)CCCOC[C@@H](C)OC fd0b500ead94024e54696da8ff6c6b6b [0,3,0,0,0,0|1,0,0]=4 25707 B12R0.183 CCC(C)CCCOC[C@@H](O)CO 1a8115836117145a50822319d347adf4 [0,3,0,0,0,0|1,0,0]=4 25708 B12R0.183 CCC(C)CCCOC[C@H](C)CC 6a631d57115ffe36a6cc560c8b80396f [0,3,0,0,0,0|0,0,0]=3 25709 B12R0.183 CCC(C)CCCOC[C@H](C)OC 525cb405e6ae97cb52e0ec3e2d514025 [0,3,0,0,0,0|1,0,0]=4 25710 B12R0.183 CCC(C)CCCOC[C@H](O)CO c51e9d0002bc3d00519908cdc538a0e0 [0,3,0,0,0,0|1,0,0]=4 25711 B12R0.183 CCC(C)CCNCCC(C)CC fa9f2648a63f52d27fa572b0652e638e [0,3,0,0,0,0|1,0,0]=4 25712 B12R0.183 CCC(C)CCNCCC(C)CO 47b674b94cb99654dfc4db05827ea955 [0,3,0,0,0,0|1,0,0]=4 25713 B12R0.183 CCC(C)CCNCCC(O)CO 36a8af053e6c99c6437a5b0b98e641f0 [0,3,0,0,0,0|1,0,0]=4 25714 B12R0.183 CCC(C)CCNCCS(=O)CC 2e23b88004cd0e65edd849b3b27ae279 [0,3,0,0,0,0|1,0,0]=4 25715 B12R0.183 CCC(C)CCNCC[C@@H](C)CO b6d1cd1ba7ac74733706505f42c2a27a [0,3,0,0,0,0|1,0,0]=4 25716 B12R0.183 CCC(C)CCOCCC(=O)NC e4ba9194b4644404579f12eed8dcf1aa [0,3,0,0,0,0|0,0,1]=4 25717 B12R0.183 CCC(C)CCOCCC(=O)OC 89119379c4401c8bf3b64487ea6e4388 [0,3,0,0,0,0|0,0,1]=4 25718 B12R0.183 CCC(C)CCOCCC(C)CC 0fb0023b7757bcbcaf92759e400ac28b [0,3,0,0,0,0|0,0,0]=3 25719 B12R0.183 CCC(C)CCOCCC(C)OC e2337aafe7d596b540e23253be5e28e1 [0,3,0,0,0,0|0,0,0]=3 25720 B12R0.183 CCC(C)CCOCCC(S)CC 7e63a9f457c9ce5479d5301242204767 [0,3,0,0,0,0|0,0,0]=3 25721 B12R0.183 CCC(C)CCOCCN(C)C#N 4e8179257e16b608505f367a3e0650ff [0,3,0,0,0,0|1,0,0]=4 25722 B12R0.183 CCC(C)CCOCCN(C)C=O fe397be7ec1d106aa567c612ce7323e4 [0,3,0,0,0,0|1,0,0]=4 25723 B12R0.183 CCC(C)CCOCCS(=O)CC 7b8b1832cda4cb62d8887c0f78c6ce8d [0,3,0,0,0,0|0,0,0]=3 25724 B12R0.183 CCC(C)CCOCC[C@@H](C)CC dbc3a732f35acf258c2d0bc56776fdcd [0,3,0,0,0,0|0,0,0]=3 25725 B12R0.183 CCC(C)CNCCCC(C)CO 1ac5a0aee42bca1272812fb1be92c7b9 [0,3,0,0,0,0|1,0,0]=4 25726 B12R0.183 CCC(C)CNCCCN(C)CC a44ad65b2ba7e27f4827007b8493e504 [0,3,0,0,0,0|1,0,0]=4 25727 B12R0.183 CCC(C)COCCCC(=O)NC 703414baddf940db6de53038d6f22810 [0,3,0,0,0,0|0,0,1]=4 25728 B12R0.183 CCC(C)COCCCC(=O)OC 59bbbf293aa327712c7ba139e6097b56 [0,3,0,0,0,0|0,0,1]=4 25729 B12R0.183 CCC(C)COCCCN(C)CC 25dd98595f314183f1e7583687430225 [0,3,0,0,0,0|0,0,0]=3 25730 B12R0.183 CCC(C)COCCC[C@@H](C)CC a261bd53556424b56dd2221f5950f159 [0,3,0,0,0,0|0,0,0]=3 25731 B12R0.183 CCC(C)COCCOC(C)C#N 6a4ae19e258b6be1f125545f84f58e9c [0,3,0,0,0,0|1,0,0]=4 25732 B12R0.183 CCC(C)OCCCC[C@@H](C)CC 642f08d36a1a4a3aaf2dad22849b04bf [0,3,0,0,0,0|1,0,0]=4 25733 B12R0.183 CCC(O)CNCCCC(C)CO dd23b22825c67b549255da30cf09da5e [0,3,0,0,0,0|1,0,0]=4 25734 B12R0.183 CCC(O)CNCCCN(C)CC f68bc7691a9ede5e9ec744c3934ab09d [0,3,0,0,0,0|1,0,0]=4 25735 B12R0.183 CCC(S)CCOCCC(=O)NC 35c77de950d3e379d1878fca7534b29d [0,3,0,0,0,0|0,0,1]=4 25736 B12R0.183 CCC(S)CCOCCC(=O)OC 8dd5c0274c75896a1a8552c4dcbd818a [0,3,0,0,0,0|0,0,1]=4 25737 B12R0.183 CCC(S)CCOCCS(=O)CC 60815fa062f1c807d227cbacf5d771d5 [0,3,0,0,0,0|0,0,0]=3 25738 B12R0.183 CCN(C)CCCOCC(C)OC 543c7d7d85f27fc4b4e21b5f7892040f [0,3,0,0,0,0|1,0,0]=4 25739 B12R0.183 CCN(C)CCCOCC(O)CO 552cfe24030371557f5693258996749f [0,3,0,0,0,0|1,0,0]=4 25740 B12R0.183 CCN(C)CCCOC[C@@H](C)OC ad962701674244d994a368ea3933ee15 [0,3,0,0,0,0|1,0,0]=4 25741 B12R0.183 CCN(C)CCCOC[C@@H](O)CO 274f8a36da896d9720c3e8102247328b [0,3,0,0,0,0|1,0,0]=4 25742 B12R0.183 CCN(C)CCCOC[C@H](C)OC 26299b2baef88ca57c3b298c2880052f [0,3,0,0,0,0|1,0,0]=4 25743 B12R0.183 CCN(C)CCCOC[C@H](O)CO 021a6a7438c840a51ce8417b8331b4bf [0,3,0,0,0,0|1,0,0]=4 25744 B12R0.183 CCS(=O)CCOCCC(C)OC a50304d31e1b84cae891abfdf8d45a58 [0,3,0,0,0,0|1,0,0]=4 25745 B12R0.183 CC[C@@H](C)CNCCCC(C)CO 0f24b9e36936a044bdb9615b3decaf6c [0,3,0,0,0,0|1,0,0]=4 25746 B12R0.183 CC[C@@H](C)CNCCCN(C)CC 1c584b24f6bb0a969060e8454a209f01 [0,3,0,0,0,0|1,0,0]=4 25747 B12R0.183 CC[C@@H](C)COCCCC(=O)NC e85f052f6ca583126216ff3e67085749 [0,3,0,0,0,0|0,0,1]=4 25748 B12R0.183 CC[C@@H](C)COCCCC(=O)OC 6755ea558ce235dee3e65a12c69ccbb5 [0,3,0,0,0,0|0,0,1]=4 25749 B12R0.183 CC[C@@H](C)COCCCN(C)CC 810dc4d858360ced690c744e4e06d00b [0,3,0,0,0,0|0,0,0]=3 25750 B12R0.183 CC[C@@H](C)COCCC[C@@H](C)CC 301f918dc6a7fe20a1e78483286c8283 [0,3,0,0,0,0|0,0,0]=3 25751 B12R0.183 CC[C@@H](C)COCCOC(C)C#N 49cecd1a93a7a5c9c09322741d44caf0 [0,3,0,0,0,0|1,0,0]=4 25752 B12R0.183 CC[C@H](C)CCCOCC(C)OC 82e66fc50fcfef36831fcab9ac60727f [0,3,0,0,0,0|1,0,0]=4 25753 B12R0.183 CC[C@H](C)CCCOCC(O)CO 6dfe73ab9c55367637e0b43e0af34671 [0,3,0,0,0,0|1,0,0]=4 25754 B12R0.183 CC[C@H](C)CCCOC[C@@H](C)CC ce7ef9ba5a9b8d7c4480e6ed8befab9e [0,3,0,0,0,0|0,0,0]=3 25755 B12R0.183 CC[C@H](C)CCCOC[C@@H](C)OC 7730f45a164e59d47d9f5c6e9ccb2da0 [0,3,0,0,0,0|1,0,0]=4 25756 B12R0.183 CC[C@H](C)CCCOC[C@@H](O)CO 91c20b9014edf4efa76c0471e720a2c4 [0,3,0,0,0,0|1,0,0]=4 25757 B12R0.183 CC[C@H](C)CCCOC[C@H](C)OC 13fe5d4815038afae5d9d52ffd4dad9b [0,3,0,0,0,0|1,0,0]=4 25758 B12R0.183 CC[C@H](C)CCCOC[C@H](O)CO c2f19941444346e031fb14bbc74bcbb8 [0,3,0,0,0,0|1,0,0]=4 25759 B12R0.183 CC[C@H](C)CCOCCC(=O)NC 2ade5cd89cc0e182569743d8e7b3e244 [0,3,0,0,0,0|0,0,1]=4 25760 B12R0.183 CC[C@H](C)CCOCCC(=O)OC 8db142142b1e3b810a3a2d23f29533eb [0,3,0,0,0,0|0,0,1]=4 25761 B12R0.183 CC[C@H](C)CCOCCS(=O)CC 581aaa685655eef3beb4bf3135d68751 [0,3,0,0,0,0|0,0,0]=3 25762 B12R0.183 CC[C@H](C)CNCCCC(C)CO bf1c535918ccf3136d9e199a43038f97 [0,3,0,0,0,0|1,0,0]=4 25763 B12R0.183 CC[C@H](C)CNCCCN(C)CC 5b90a6e379423b9c63e6274868d0ba31 [0,3,0,0,0,0|1,0,0]=4 25764 B12R0.183 CC[C@H](C)COCCCC(=O)NC b173f58d741b89df34cd8a25267ce42f [0,3,0,0,0,0|0,0,1]=4 25765 B12R0.183 CC[C@H](C)COCCCC(=O)OC 2f75351e96aa7a7088a97454af34efed [0,3,0,0,0,0|0,0,1]=4 25766 B12R0.183 CC[C@H](C)COCCCN(C)CC d3dfa1920a1af479d00f11313507c7bf [0,3,0,0,0,0|0,0,0]=3 25767 B12R0.183 CC[C@H](C)COCCOC(C)C#N 1de8c2776ea6fa037d2e09cd9ebfd776 [0,3,0,0,0,0|1,0,0]=4 25768 B12R0.248 C#CC(C)NCCCCCCCC 3c2532f1cc3e254ace81135fccde1989 [0,3,0,0,0,0|1,0,0]=4 25769 B12R0.248 C#CC(C)NCCCOCCCC fc1a900187571596d627827b24b358d6 [0,3,0,0,0,0|0,0,0]=3 25770 B12R0.248 C#CC(C)NCCCOCCCO 548ba0474fe6156b0a2f0278ae094760 [0,3,0,0,0,0|1,0,0]=4 25771 B12R0.248 C#CC(C)NCCCOCCOC f366a463a06af64c9ef3c403d3f6bae1 [0,3,0,0,0,0|1,0,0]=4 25772 B12R0.248 C#CC(C)NCCCOCCSC a868b0c9f19ac762408834fdded439e0 [0,3,0,0,0,0|1,0,0]=4 25773 B12R0.248 C#CC(C)NCCOCCOCC a59430cc82b78a5211b4a67c8c9ac654 [0,3,0,0,0,0|1,0,0]=4 25774 B12R0.248 C#CC(C)OCCCCCCCC 40df22ab0b8041013723952e5910b2ba [0,3,0,0,0,0|1,0,0]=4 25775 B12R0.248 C#CC(C)OCCCOCCCC d973c0e57c3309c35933de142276e172 [0,3,0,0,0,0|0,0,0]=3 25776 B12R0.248 C#CC(C)OCCCOCCOC 78a30f6978fe09661ee6b2a3eebd9feb [0,3,0,0,0,0|1,0,0]=4 25777 B12R0.248 C#CC(C)OCCOCCCCC 0248e56cf6bb3093818c3466a5ba45b5 [0,3,0,0,0,0|0,0,0]=3 25778 B12R0.248 C#CC(C)OCCOCCOCC 5c523fb237e340883611cfb7acdac2c3 [0,3,0,0,0,0|1,0,0]=4 25779 B12R0.248 C#CCCCCCNCC(C)CC d6809af1730088556a77b53e1d30431b [0,3,0,0,0,0|1,0,0]=4 25780 B12R0.248 C#CCCCCCNCC(O)CC 3d41b5d953bc7a200884f7c85cfd07a4 [0,3,0,0,0,0|1,0,0]=4 25781 B12R0.248 C#CCCCCCNC[C@@H](C)CC cd362f1fca5b2d88fb819972efbe22c7 [0,3,0,0,0,0|1,0,0]=4 25782 B12R0.248 C#CCCCCCNC[C@H](C)CC 86ed0ec8de3cca17d4ef264d524192ca [0,3,0,0,0,0|1,0,0]=4 25783 B12R0.248 C#CCCCCCNC[C@H](O)CC 0a7e9385ff26df8c8367a3adbeb87747 [0,3,0,0,0,0|1,0,0]=4 25784 B12R0.248 C#CCCCCCOCC(=C)CC 5ed1963a203bc9a5377b4f83a6b4d6eb [0,3,0,0,0,0|0,0,1]=4 25785 B12R0.248 C#CCCCCCOCC(=O)CC 633de142a6846601e82460dce0a68e33 [0,3,0,0,0,0|0,0,1]=4 25786 B12R0.248 C#CCCCCCOCC(Br)CBr 08c0be4db2859549b217e0ef4f2ddcff [0,3,0,0,0,0|1,0,0]=4 25787 B12R0.248 C#CCCCCCOCC(C)CC 120018171137569dac88f18662b29089 [0,3,0,0,0,0|0,0,0]=3 25788 B12R0.248 C#CCCCCCOCC(C)OC b049b47c8407a0c6e008e2ec28a886f3 [0,3,0,0,0,0|1,0,0]=4 25789 B12R0.248 C#CCCCCCOCC(Cl)CCl 6ded03da3f9ee87ab6e61b80cddf9ddb [0,3,0,0,0,0|1,0,0]=4 25790 B12R0.248 C#CCCCCCOCC(O)CO 609ea0222ab2f5535adcb491a2ae85a5 [0,3,0,0,0,0|1,0,0]=4 25791 B12R0.248 C#CCCCCCOCC(S)CS 5bf1ae291c38ee2f024513946a977f6e [0,3,0,0,0,0|1,0,0]=4 25792 B12R0.248 C#CCCCCCOC[C@@H](C)CC c0caaa78132c718e3940a592b5355694 [0,3,0,0,0,0|0,0,0]=3 25793 B12R0.248 C#CCCCCCOC[C@@H](C)OC 2bec016196a6b7b1b39eaaa2a8cdc1a4 [0,3,0,0,0,0|1,0,0]=4 25794 B12R0.248 C#CCCCCCOC[C@@H](O)CO 887c49319c164b6e440fa3e1bd4488dc [0,3,0,0,0,0|1,0,0]=4 25795 B12R0.248 C#CCCCCCOC[C@H](C)CC c7f61fec2ddf0d08c580d2c893797fb6 [0,3,0,0,0,0|0,0,0]=3 25796 B12R0.248 C#CCCCCCOC[C@H](C)OC bf3198d5dfdd7cbbc2615700d7483304 [0,3,0,0,0,0|1,0,0]=4 25797 B12R0.248 C#CCCCCCOC[C@H](O)CO a96da1898d606c0ab87f39bcb50da18f [0,3,0,0,0,0|1,0,0]=4 25798 B12R0.248 C#CCCCCNCCC(C)CC ba8d9aea5773cb898bde2f1360dcfb63 [0,3,0,0,0,0|1,0,0]=4 25799 B12R0.248 C#CCCCCOCCC(C)CC 3d054c9b52d413545dba164f4bdc28da [0,3,0,0,0,0|0,0,0]=3 25800 B12R0.248 C#CCCCCOCCC(C)OC 0c95ecdc668963b93c17795b4a5bbee4 [0,3,0,0,0,0|0,0,1]=4 25801 B12R0.248 C#CCCCCOCCC(S)CC e7bcfb5fbe9a940a07614e9731a53037 [0,3,0,0,0,0|0,0,0]=3 25802 B12R0.248 C#CCCCCOCCS(=O)CC 939be0cef6924f84222656d1c7f5e422 [0,3,0,0,0,0|0,0,1]=4 25803 B12R0.248 C#CCCCCOCC[C@@H](C)CC 1e47b6def60feeecb03f7d4b193fec83 [0,3,0,0,0,0|0,0,0]=3 25804 B12R0.248 C#CCCCOCCCC(C)CC 0f2524d91d0a6948e6463308783927dd [0,3,0,0,0,0|0,0,1]=4 25805 B12R0.248 C#CCCCOCCCN(C)CC bda19216d4811df8892ab9dbfce01c4a [0,3,0,0,0,0|0,0,1]=4 25806 B12R0.248 C#CCCCOCCC[C@@H](C)CC 063f4aa799ac5a0fd8a24633d1488da4 [0,3,0,0,0,0|0,0,1]=4 25807 B12R0.248 C#CCOCCCOCC(C)CC 8cb283d72b900ce1dd37876c383d20a6 [0,3,0,0,0,0|0,0,1]=4 25808 B12R0.248 C#CCOCCCOC[C@@H](C)CC 620bf5bf8934f7bf695a56cdaf594375 [0,3,0,0,0,0|0,0,1]=4 25809 B12R0.248 C#CCOCCCOC[C@H](C)CC bf7a9e41d8fab59ba80a2d1a519dbeb1 [0,3,0,0,0,0|0,0,1]=4 25810 B12R0.248 C#CCOCCOCCC(C)CC 586c8c250b012756496ab0894bff070c [0,3,0,0,0,0|0,0,1]=4 25811 B12R0.248 C#CCOCCOCCC(S)CC 26dcfe718049299c13595f467d6858f9 [0,3,0,0,0,0|0,0,1]=4 25812 B12R0.248 C#CCOCCOCC[C@@H](C)CC 1084afb8da6e93c50046bbbb4ca77e64 [0,3,0,0,0,0|0,0,1]=4 25813 B12R0.248 C#C[C@@H](C)NCCCCCCCC 2147c1cb054ba397bfe43f3cb05517ff [0,3,0,0,0,0|1,0,0]=4 25814 B12R0.248 C#C[C@@H](C)NCCCOCCCO 28e76c283be88f5e154e6418dd47ed0b [0,3,0,0,0,0|1,0,0]=4 25815 B12R0.248 C#C[C@@H](C)NCCCOCCOC 4807a7e3d73842eb6a200c7140504166 [0,3,0,0,0,0|1,0,0]=4 25816 B12R0.248 C#C[C@@H](C)NCCOCCOCC 823ffc043783f4a12a2515a3cf9d9729 [0,3,0,0,0,0|1,0,0]=4 25817 B12R0.248 C#C[C@@H](C)OCCCCCCCC 39dc8c5d07735af2ed36ada3276c5f86 [0,3,0,0,0,0|1,0,0]=4 25818 B12R0.248 C#C[C@@H](C)OCCCOCCOC 75f984d6f3537e608e3ce67b61246e95 [0,3,0,0,0,0|1,0,0]=4 25819 B12R0.248 C#C[C@@H](C)OCCOCCOCC 16df50cfa6be0a3ff66cd8b95a81d759 [0,3,0,0,0,0|1,0,0]=4 25820 B12R0.248 C#C[C@H](C)NCCCCCCCC b6ca25c15b912922a34822864ec78c0a [0,3,0,0,0,0|1,0,0]=4 25821 B12R0.248 C#C[C@H](C)NCCCOCCCO 3fe8014253f575081f90001b50bbe5e3 [0,3,0,0,0,0|1,0,0]=4 25822 B12R0.248 C#C[C@H](C)NCCCOCCOC f5eab1517d64175f5ac7d0a29edd2d23 [0,3,0,0,0,0|1,0,0]=4 25823 B12R0.248 C#C[C@H](C)NCCOCCOCC 12a30f2170e1c3ab89eae2df6ab489e8 [0,3,0,0,0,0|1,0,0]=4 25824 B12R0.248 C#C[C@H](C)OCCCCCCCC 3807f517230206f0d8970d63ef5dbe6c [0,3,0,0,0,0|1,0,0]=4 25825 B12R0.248 C#C[C@H](C)OCCCOCCOC ca76101808c1f035fbeec1ca89e1dc7b [0,3,0,0,0,0|1,0,0]=4 25826 B12R0.248 C#C[C@H](C)OCCOCCOCC eff85cd3eec002a84abef3c20b8760a0 [0,3,0,0,0,0|1,0,0]=4 25827 B12R0.248 C/C=C/CCCOCCC(C)CC a01cf280261bf3bd788b8e067f2f9703 [0,3,0,0,0,0|0,0,0]=3 25828 B12R0.248 C/C=C/CCCOCCS(=O)CC 3e7b8246e41b599e28ab062ba291879e [0,3,0,0,0,0|0,0,1]=4 25829 B12R0.248 C/C=C\CCCNCCC(C)CC e33fd1f32f9ecd7e627b571e18d77fee [0,3,0,0,0,0|1,0,0]=4 25830 B12R0.248 C/C=C\CCCOCCC(C)CC 10d94570d6cce899c3462caefac6562a [0,3,0,0,0,0|0,0,0]=3 25831 B12R0.248 C/C=C\CCCOCCC(C)OC 69b0879dcf2d9dd2d13785944f9983ea [0,3,0,0,0,0|0,0,1]=4 25832 B12R0.248 C/C=C\CCCOCCC(S)CC 2e92007ffc6862c26d990eaf041101e0 [0,3,0,0,0,0|0,0,0]=3 25833 B12R0.248 C/C=C\CCCOCCS(=O)CC 54678bb68ec900b4c379f7ae7ecc162a [0,3,0,0,0,0|0,0,1]=4 25834 B12R0.248 C/C=C\CCCOCC[C@@H](C)CC 44056412050e318dd3ce0f914983dfaf [0,3,0,0,0,0|0,0,0]=3 25835 B12R0.248 C=C(CC)CNCCCCCCC 83c846a2d548154ae3dfb9b64c559fb6 [0,3,0,0,0,0|1,0,0]=4 25836 B12R0.248 C=C(CC)CNCCOCCCC b64744a27a9d19a8d2e3fc095ec83d37 [0,3,0,0,0,0|0,0,0]=3 25837 B12R0.248 C=C(CC)CNCCOCCCO 22d6da58bb21b51234c9da73e31c4885 [0,3,0,0,0,0|1,0,0]=4 25838 B12R0.248 C=C(CC)CNCCOCCOC ff6cd9a6a3d14dcec95d3b165a6213bd [0,3,0,0,0,0|1,0,0]=4 25839 B12R0.248 C=C(CC)COC/C=C/CCCC 10125dd08e26788b8e425dc8fc7869f7 [0,3,0,0,0,0|0,0,1]=4 25840 B12R0.248 C=C(CC)COCC#CCCCC ea0f3ff76731b62d35580a49d5e7a960 [0,3,0,0,0,0|0,0,1]=4 25841 B12R0.248 C=C(CC)COCC/C=C\CCC 2d8bffc2d5511d6404e385fbda27b51f [0,3,0,0,0,0|0,0,1]=4 25842 B12R0.248 C=C(CC)COCCC#CCCC 290bacd8246b80185b3db416a6f8fe83 [0,3,0,0,0,0|0,0,1]=4 25843 B12R0.248 C=C(CC)COCCC/C=C\CC 7ed2ad6bad33fe6a9f1c8c97bea00e33 [0,3,0,0,0,0|0,0,1]=4 25844 B12R0.248 C=C(CC)COCCCCCC#N fcaa177af87094230e1182ad8382a586 [0,3,0,0,0,0|0,0,1]=4 25845 B12R0.248 C=C(CC)COCCCCCCC 2a17750a84c0fac278516bd4ea134be7 [0,3,0,0,0,0|0,0,1]=4 25846 B12R0.248 C=C(CC)COCCCCCCF 370b77302a1402eb4e26f48cd5f0f26f [0,3,0,0,0,0|0,0,1]=4 25847 B12R0.248 C=C(CC)COCCCCCCS dcfc2ef40484336a45057d3ce32569b2 [0,3,0,0,0,0|0,0,1]=4 25848 B12R0.248 C=C(CC)COCCOCCCC bce508ffde02805cb1b4f2dc131bec23 [0,3,0,0,0,0|0,0,0]=3 25849 B12R0.248 C=C(CC)COCCOCCOC 5cc0b0561319e7afde7394d2630d940f [0,3,0,0,0,0|0,0,1]=4 25850 B12R0.248 C=C(CC)COCCSCCCC f740f4874a71c1a2ad8d501a79c41ba1 [0,3,0,0,0,0|0,0,1]=4 25851 B12R0.248 C=C(CNCCOCCCC)OC 2e54f77a9f8a352597a85033a8bd279b [0,3,0,0,0,0|0,0,1]=4 25852 B12R0.248 C=C(CO)CNCCOCCCC c4f52981a56488fc6d7b113d66982df8 [0,3,0,0,0,0|0,0,1]=4 25853 B12R0.248 C=C(COCCOCCCC)OC ccd104d88075853750444d90b44c0806 [0,3,0,0,0,0|0,0,1]=4 25854 B12R0.248 C=CC(=O)CCCOCCCCC 474f7debd227b58eb448956dba08a7b9 [0,3,0,0,0,0|0,0,1]=4 25855 B12R0.248 C=CC(C)COCCCCCCC ac1792a64eac7c6c9ae61326d8d4ecf3 [0,3,0,0,0,0|1,0,0]=4 25856 B12R0.248 C=CC(C)COCCOCCCC 3ff226f1099e6b045ac297a5bd1f8217 [0,3,0,0,0,0|0,0,0]=3 25857 B12R0.248 C=CC(C)COCCOCCOC 0de9ce099cec21abf2aec29a68a001b8 [0,3,0,0,0,0|1,0,0]=4 25858 B12R0.248 C=CC(C)NCCCCCCCC ad304ca2e3c13338226cb83c1a83f3a7 [0,3,0,0,0,0|1,0,0]=4 25859 B12R0.248 C=CC(C)NCCCOCCCC cd417d91c0475dcb8c1e26486ac6ec31 [0,3,0,0,0,0|0,0,0]=3 25860 B12R0.248 C=CC(C)NCCCOCCCO 9e8ce576f3405e9ce11e4688fcc5e761 [0,3,0,0,0,0|1,0,0]=4 25861 B12R0.248 C=CC(C)NCCCOCCOC 9227d1c4e548c57d703d8f64b78beb54 [0,3,0,0,0,0|1,0,0]=4 25862 B12R0.248 C=CC(C)NCCCOCCSC 29fb995eda9e793cb6eb5bd04aade31a [0,3,0,0,0,0|1,0,0]=4 25863 B12R0.248 C=CC(C)NCCOCCOCC 7bf3074b09ce22e3f6da943218d77f94 [0,3,0,0,0,0|1,0,0]=4 25864 B12R0.248 C=CC(C)OCCCCCCCC 68e8ba1122e8f758e7990ccad9024d56 [0,3,0,0,0,0|1,0,0]=4 25865 B12R0.248 C=CC(C)OCCCOCCCC 8718655858974ad8e85a322d4c6ff88b [0,3,0,0,0,0|0,0,0]=3 25866 B12R0.248 C=CC(C)OCCCOCCOC 5b89fa43a72ae947ee4f7943b15f268e [0,3,0,0,0,0|1,0,0]=4 25867 B12R0.248 C=CC(C)OCCOCCCCC 68fb02c1c16c7bd611aa051ce9dffbd1 [0,3,0,0,0,0|0,0,0]=3 25868 B12R0.248 C=CC(C)OCCOCCOCC 67f8105f3f0fc8c5cc73fff129100cb0 [0,3,0,0,0,0|1,0,0]=4 25869 B12R0.248 C=CC(O)CNCCOCCCC 205a64b20675790d246be30be692bd4b [0,3,0,0,0,0|0,0,1]=4 25870 B12R0.248 C=CCCCCCNCC(C)CC f8cb2a93ad824f7c699e63259658f8d5 [0,3,0,0,0,0|1,0,0]=4 25871 B12R0.248 C=CCCCCCNCC(O)CC c53ee322bd7cf195bd93e447af2874df [0,3,0,0,0,0|1,0,0]=4 25872 B12R0.248 C=CCCCCCNC[C@@H](C)CC d7a1043ea9d7c2e25a541cef14be2c1b [0,3,0,0,0,0|1,0,0]=4 25873 B12R0.248 C=CCCCCCNC[C@H](C)CC 8b3ea9f12d3384c364b96b92580ca486 [0,3,0,0,0,0|1,0,0]=4 25874 B12R0.248 C=CCCCCCNC[C@H](O)CC 2050cec29203c2819748020d6a7cd558 [0,3,0,0,0,0|1,0,0]=4 25875 B12R0.248 C=CCCCCCOCC(=C)CC a768e42b20f5fed631bfb88b44951164 [0,3,0,0,0,0|0,0,1]=4 25876 B12R0.248 C=CCCCCCOCC(=O)CC 0efd9e9c03e8c4fff6a36f190cca5720 [0,3,0,0,0,0|0,0,1]=4 25877 B12R0.248 C=CCCCCCOCC(Br)CBr 0f97d74fb3ee023871fcd94416b29f5c [0,3,0,0,0,0|1,0,0]=4 25878 B12R0.248 C=CCCCCCOCC(C)CC c957fcd1e03dfa1310d63fdd67757f2d [0,3,0,0,0,0|0,0,0]=3 25879 B12R0.248 C=CCCCCCOCC(C)OC 12dbd4856fc2b40e41b389667d48a0f5 [0,3,0,0,0,0|1,0,0]=4 25880 B12R0.248 C=CCCCCCOCC(Cl)CCl 80a6f289873fd7b8f165600b189345f0 [0,3,0,0,0,0|1,0,0]=4 25881 B12R0.248 C=CCCCCCOCC(O)CO e8b3dbb31d78c7e9bc906a75774ff540 [0,3,0,0,0,0|1,0,0]=4 25882 B12R0.248 C=CCCCCCOCC(S)CS fee18af75c98ccafd8039e4cfbf30377 [0,3,0,0,0,0|1,0,0]=4 25883 B12R0.248 C=CCCCCCOC[C@@H](C)CC 0e97ad986d34cfbc0b69b33b8ad3a107 [0,3,0,0,0,0|0,0,0]=3 25884 B12R0.248 C=CCCCCCOC[C@@H](C)OC a919abcef3684ad63bb64e5401623257 [0,3,0,0,0,0|1,0,0]=4 25885 B12R0.248 C=CCCCCCOC[C@@H](O)CO 264566accfed101a7df9edf6b2ae9f68 [0,3,0,0,0,0|1,0,0]=4 25886 B12R0.248 C=CCCCCCOC[C@H](C)CC 41fd44c0d0c14f4a6c8d3b68f40d33c4 [0,3,0,0,0,0|0,0,0]=3 25887 B12R0.248 C=CCCCCCOC[C@H](C)OC c494bea4d4cf4fdb762d72ece5a3de95 [0,3,0,0,0,0|1,0,0]=4 25888 B12R0.248 C=CCCCCCOC[C@H](O)CO b0217f6d0cbd47de1598e7f3c4124b04 [0,3,0,0,0,0|1,0,0]=4 25889 B12R0.248 C=CCCCCNCCC(C)CC 5bae3f03f1281b97e8bdf2515969fbd3 [0,3,0,0,0,0|1,0,0]=4 25890 B12R0.248 C=CCCCCOCCC(C)CC ffdbb9b6b786456c441f551b8cb2c576 [0,3,0,0,0,0|0,0,0]=3 25891 B12R0.248 C=CCCCCOCCC(C)OC 60391427dfbf0b65d2c0f0fa5c9bb22a [0,3,0,0,0,0|0,0,1]=4 25892 B12R0.248 C=CCCCCOCCC(S)CC 8f05442a015399930fc7fee9bdac951f [0,3,0,0,0,0|0,0,0]=3 25893 B12R0.248 C=CCCCCOCCS(=O)CC a14b6316660eb938f21fa71f8251f44d [0,3,0,0,0,0|0,0,1]=4 25894 B12R0.248 C=CCCCCOCC[C@@H](C)CC f2b62c016af9938a7130a797e672cf82 [0,3,0,0,0,0|0,0,0]=3 25895 B12R0.248 C=CCCCOCCCC(C)CC 5284113370e8c51aa9ee3821b20c0004 [0,3,0,0,0,0|0,0,1]=4 25896 B12R0.248 C=CCCCOCCCN(C)CC 8b3827ecffac78eba10d9635e7ddd8cd [0,3,0,0,0,0|0,0,1]=4 25897 B12R0.248 C=CCCCOCCC[C@@H](C)CC 0add5735407b768f7f7f07cf4779bb42 [0,3,0,0,0,0|0,0,1]=4 25898 B12R0.248 C=CCOCCOCCC(C)CC 823efeb55a1d84e33345147f798b0bd3 [0,3,0,0,0,0|0,0,1]=4 25899 B12R0.248 C=CCOCCOCCC(S)CC 6b47d84239fb6ba3bc4e4ed4b01ef732 [0,3,0,0,0,0|0,0,1]=4 25900 B12R0.248 C=CCOCCOCC[C@@H](C)CC 9693b597b951eaa71e57c8b8e8e7f095 [0,3,0,0,0,0|0,0,1]=4 25901 B12R0.248 C=COCCCCOCC(C)CC 7452586da88f72bba8818d87939d298d [0,3,0,0,0,0|0,0,1]=4 25902 B12R0.248 C=COCCCCOC[C@@H](C)CC d7adc564e463bccdcca4f56a051dd987 [0,3,0,0,0,0|0,0,1]=4 25903 B12R0.248 C=COCCCCOC[C@H](C)CC 7f3fb44a8b7b4c9b1266eb80782131fc [0,3,0,0,0,0|0,0,1]=4 25904 B12R0.248 C=C[C@H](C)OCCCCCCCC 26e94ad98739b5f204052d45774e5cf2 [0,3,0,0,0,0|1,0,0]=4 25905 B12R0.248 C=C[C@H](C)OCCCOCCOC 2f5f47fbe9800a89bd38bc5d419914be [0,3,0,0,0,0|1,0,0]=4 25906 B12R0.248 C=C[C@H](C)OCCOCCOCC a28ccc2063b93ca41e9853a84c8304fc [0,3,0,0,0,0|1,0,0]=4 25907 B12R0.248 CC#CCCCOCCC(C)CC 2454cca60619690db0f64da6fbb4141b [0,3,0,0,0,0|0,0,0]=3 25908 B12R0.248 CC#CCCCOCCS(=O)CC 82ef4c54e9be736d3b62f98e02bd13b5 [0,3,0,0,0,0|0,0,1]=4 25909 B12R0.248 CC(C#N)CNCCOCCCO 595c65d16c466a54751fe4d334b1eb06 [0,3,0,0,0,0|1,0,0]=4 25910 B12R0.248 CC(C#N)NCCCOCCCO 42a02bf845c1121de4cc13c93f6e3a68 [0,3,0,0,0,0|1,0,0]=4 25911 B12R0.248 CC(C#N)OCCOCCCCF 300caae77333fe5cdb5cd91a3654eec2 [0,3,0,0,0,0|1,0,0]=4 25912 B12R0.248 CC(C#N)OCCOCCCCS dce0b90e328d2e807696889a5abba076 [0,3,0,0,0,0|1,0,0]=4 25913 B12R0.248 CC(C=O)NCCCOCCCO 9f2811a6615bfa9bfd2e42c459ad3916 [0,3,0,0,0,0|1,0,0]=4 25914 B12R0.248 CC(CO)CCCNCCCCF 0ae79f0af79f8738fd53d721b740f188 [0,3,0,0,0,0|1,0,0]=4 25915 B12R0.248 CC(CO)CCCNCCCCO a71b509e1e36115cf53385e4a5e3ed0b [0,3,0,0,0,0|1,0,0]=4 25916 B12R0.248 CC(CO)CCNCCCCCCl 71e961cad43a731d8025219044bbffb6 [0,3,0,0,0,0|1,0,0]=4 25917 B12R0.248 CC(CO)CCNCCCCCF 90936d611c40f25c269a34a7dedc4934 [0,3,0,0,0,0|1,0,0]=4 25918 B12R0.248 CC(CO)CCNCCCCCO e0d568cc47b63b406bbf04a9d1c0399b [0,3,0,0,0,0|1,0,0]=4 25919 B12R0.248 CC(CO)CNCCOCCCO d0f33e9e92abb6a8a5f9a02252b01ef1 [0,3,0,0,0,0|1,0,0]=4 25920 B12R0.248 CC(CO)NCCCOCCCO 5c25ad571e7213711d6337f844a391e0 [0,3,0,0,0,0|1,0,0]=4 25921 B12R0.248 CC/C=C/CCOCCC(C)CC cd83d63bc2f7c80be1e05592fefaa7b8 [0,3,0,0,0,0|0,0,0]=3 25922 B12R0.248 CC/C=C/CCOCCS(=O)CC 7917f13f23802b015fb44e2641664f88 [0,3,0,0,0,0|0,0,1]=4 25923 B12R0.248 CC/C=C/COCCCC(C)CC b23acf52d1a2f0a11a7881727afff2b4 [0,3,0,0,0,0|0,0,1]=4 25924 B12R0.248 CC/C=C/COCCCN(C)CC f385f4f76aaf94d70d88ef1adc3236f0 [0,3,0,0,0,0|0,0,1]=4 25925 B12R0.248 CC/C=C/COCCC[C@@H](C)CC ffc401cb55903f2f8871741472920273 [0,3,0,0,0,0|0,0,1]=4 25926 B12R0.248 CC/C=C\CCCOCC(=O)CC 346361236ad50de4f745d323f2e7c175 [0,3,0,0,0,0|0,0,1]=4 25927 B12R0.248 CC/C=C\CCCOCC(C)CC 771407146c1c689dc45f268549ae39b5 [0,3,0,0,0,0|0,0,0]=3 25928 B12R0.248 CC/C=C\CCCOCC(C)OC 54817ad8548007e2b4fe069af440223d [0,3,0,0,0,0|1,0,0]=4 25929 B12R0.248 CC/C=C\CCCOCC(O)CO 6b76140a97f39f7e908aab6164350665 [0,3,0,0,0,0|1,0,0]=4 25930 B12R0.248 CC/C=C\CCCOC[C@@H](C)CC 48a06bb5b9df5533fce3f2b4bf3a7485 [0,3,0,0,0,0|0,0,0]=3 25931 B12R0.248 CC/C=C\CCCOC[C@@H](C)OC 8238e4621339caea60f1d68ed1cbae39 [0,3,0,0,0,0|1,0,0]=4 25932 B12R0.248 CC/C=C\CCCOC[C@@H](O)CO 7c0be6ba9916583c03b2ab6dba16cccd [0,3,0,0,0,0|1,0,0]=4 25933 B12R0.248 CC/C=C\CCCOC[C@H](C)CC 57314bf996e8c033e018c871727680be [0,3,0,0,0,0|0,0,0]=3 25934 B12R0.248 CC/C=C\CCCOC[C@H](C)OC 194c62395ba4300620fc201775f81129 [0,3,0,0,0,0|1,0,0]=4 25935 B12R0.248 CC/C=C\CCCOC[C@H](O)CO e2313dc018bbd6834452e658aee65cf9 [0,3,0,0,0,0|1,0,0]=4 25936 B12R0.248 CC/C=C\CCNCCC(C)CC f52f2f89a6091f2873fbbb3ab753bb87 [0,3,0,0,0,0|1,0,0]=4 25937 B12R0.248 CC/C=C\CCOCCC(C)CC 5288cf916f9763485bf9bda2a944de05 [0,3,0,0,0,0|0,0,0]=3 25938 B12R0.248 CC/C=C\CCOCCC(C)OC 4f749b8e15c6b5d70d6ff1efb6df29e7 [0,3,0,0,0,0|0,0,1]=4 25939 B12R0.248 CC/C=C\CCOCCC(S)CC 717cf4257880930a6049ce1bb3c69c2b [0,3,0,0,0,0|0,0,0]=3 25940 B12R0.248 CC/C=C\CCOCCS(=O)CC 9e5521826189214b92bb6d2f1975a686 [0,3,0,0,0,0|0,0,1]=4 25941 B12R0.248 CC/C=C\CCOCC[C@@H](C)CC ed2399f5a157c404c570ce12ccca3dd1 [0,3,0,0,0,0|0,0,0]=3 25942 B12R0.248 CC=C=CCCOCCC(C)CC 3435cb502d8337c50bd4534daed4b3e5 [0,3,0,0,0,0|0,0,1]=4 25943 B12R0.248 CC=CCCCOCCC(C)CC 8c1daac28a4acbae4a5228d9521f5e83 [0,3,0,0,0,0|0,0,0]=3 25944 B12R0.248 CC=CCCCOCCS(=O)CC 31b95ddd04597847890b9509a39641a0 [0,3,0,0,0,0|0,0,1]=4 25945 B12R0.248 CCC#CCCOCCC(C)CC 034e09229ea0849c2a937a8a6a354add [0,3,0,0,0,0|0,0,0]=3 25946 B12R0.248 CCC#CCCOCCS(=O)CC 538c87a1007d32e96920de13d205edbd [0,3,0,0,0,0|0,0,1]=4 25947 B12R0.248 CCC#CCOCCCC(C)CC e2a5dbb8d6a1a8b0bd5ddc9f3b4b1cef [0,3,0,0,0,0|0,0,1]=4 25948 B12R0.248 CCC#CCOCCCN(C)CC 0481e97084c6efb7e5abcfcb0212d2a0 [0,3,0,0,0,0|0,0,1]=4 25949 B12R0.248 CCC#CCOCCC[C@@H](C)CC 28775cce0260c9c14e533fcb01e49f56 [0,3,0,0,0,0|0,0,1]=4 25950 B12R0.248 CCC(=O)CCCCOCCCF b6abe37b1a2447b8232b451a88d6673c [0,3,0,0,0,0|1,0,0]=4 25951 B12R0.248 CCC(=O)CCCCOCCCS 7da0433b2903f7bbb3887e291eda4178 [0,3,0,0,0,0|1,0,0]=4 25952 B12R0.248 CCC(=O)CCCCOCCOC a4174f75ce18ce401e2d015276251167 [0,3,0,0,0,0|1,0,0]=4 25953 B12R0.248 CCC(=O)CCCCOCCSC 1e0495e0808031139a90ad11e4f93dc8 [0,3,0,0,0,0|1,0,0]=4 25954 B12R0.248 CCC(=O)CNCCOCCCO b432b28f09ff403c712616ceccf7eb0b [0,3,0,0,0,0|1,0,0]=4 25955 B12R0.248 CCC(=O)CNCCOCCOC 7d839f22a83ed4380d9e400ad5dfd622 [0,3,0,0,0,0|1,0,0]=4 25956 B12R0.248 CCC(=O)COCCCCCC#N a33bf5b7f4368d8ae351c4f4f4d7986b [0,3,0,0,0,0|0,0,1]=4 25957 B12R0.248 CCC(=O)COCCCCCC=O e1dd528893d2434bb260d457d1e5cae5 [0,3,0,0,0,0|0,0,1]=4 25958 B12R0.248 CCC(=O)COCCCCCCF f84c0266d0bdada97574a117de11577b [0,3,0,0,0,0|0,0,1]=4 25959 B12R0.248 CCC(=O)COCCCCCCS ff88f3593acf82bc428acc7729e20e21 [0,3,0,0,0,0|0,0,1]=4 25960 B12R0.248 CCC(=O)COCCCCCOC 1809792bfd10bb7959865f765295b78f [0,3,0,0,0,0|0,0,1]=4 25961 B12R0.248 CCC(=O)COCCOCCOC 39ce1d170345fd743de177b659af38b0 [0,3,0,0,0,0|0,0,1]=4 25962 B12R0.248 CCC(=O)NCCCOCCCO 56916d129adb098bd8dc7ee1d9970f77 [0,3,0,0,0,0|1,0,0]=4 25963 B12R0.248 CCC(=O)NCCCOCCOC 98ccea172cdf9db403bd10b19a2fc9ca [0,3,0,0,0,0|1,0,0]=4 25964 B12R0.248 CCC(=O)NCCCOCCSC 21368b98c79b2539ac703027ee59f2fd [0,3,0,0,0,0|1,0,0]=4 25965 B12R0.248 CCC(=O)NCCOCCCCF 6c9d91e218cd5f49fa66bbfd477e3128 [0,3,0,0,0,0|0,0,1]=4 25966 B12R0.248 CCC(=O)NCCOCCCOC d96feb793af47173362c61790107d71e [0,3,0,0,0,0|0,0,1]=4 25967 B12R0.248 CCC(=O)NCCOCCCSC d5ea3117c7f8043a93492967ef546c57 [0,3,0,0,0,0|0,0,1]=4 25968 B12R0.248 CCC(=O)OCCOCCCCF 8a22a57855bb83b9930fcbeca9c1fbc7 [0,3,0,0,0,0|0,0,1]=4 25969 B12R0.248 CCC(=O)OCCOCCCOC 6a7b723d2ca7587e72ced0e15d01ac0f [0,3,0,0,0,0|0,0,1]=4 25970 B12R0.248 CCC(=O)OCCOCCCSC 9557eee02c7df17c11c84b6c0baca47c [0,3,0,0,0,0|0,0,1]=4 25971 B12R0.248 CCC(=O)OCOCCCCOC 1beb0f0239a654a35addd4d16ae7fd9f [0,3,0,0,0,0|0,0,1]=4 25972 B12R0.248 CCC(=O)OCOCCCCSC 2fd0fb0f2b95a011b8e559653c52cc2a [0,3,0,0,0,0|0,0,1]=4 25973 B12R0.248 CCC(C)CCCCCOCCF 3463d37c706e71003cd033e50db2374b [0,3,0,0,0,0|1,0,0]=4 25974 B12R0.248 CCC(C)CCCCCOCCS 2506809000fd18ca1161a38c0462152b [0,3,0,0,0,0|1,0,0]=4 25975 B12R0.248 CCC(C)CCCCCOCOC 59e1593a6353a35ca5d87601940fd464 [0,3,0,0,0,0|1,0,0]=4 25976 B12R0.248 CCC(C)CCCCCOCSC efacfd7118d22a0e218a86404dddb10a [0,3,0,0,0,0|1,0,0]=4 25977 B12R0.248 CCC(C)CCCCOCCCF 11221fabf06bb795c33af9b1b523ee1e [0,3,0,0,0,0|1,0,0]=4 25978 B12R0.248 CCC(C)CCCCOCCCS 4776c3fc1bde1ff294f11af3fd876c26 [0,3,0,0,0,0|1,0,0]=4 25979 B12R0.248 CCC(C)CCCCOCCOC 6b58bb3500d79d771e0255c3b1115bd6 [0,3,0,0,0,0|1,0,0]=4 25980 B12R0.248 CCC(C)CCCCOCCSC b7436cff3a668b6fb9a5ec9869f4ddf9 [0,3,0,0,0,0|1,0,0]=4 25981 B12R0.248 CCC(C)CCCOCCCC#N 64e4263f0de323d1db396ec90df56a37 [0,3,0,0,0,0|0,0,1]=4 25982 B12R0.248 CCC(C)CCCOCCCC=O c399b3af40e5d110e6efc91f73191571 [0,3,0,0,0,0|0,0,1]=4 25983 B12R0.248 CCC(C)CCCOCCCCF 65d8dc2357faf1c64ebdbb64c9d11966 [0,3,0,0,0,0|0,0,0]=3 25984 B12R0.248 CCC(C)CCCOCCCOC 07417037dfb2d966ce92791ea64e0888 [0,3,0,0,0,0|0,0,0]=3 25985 B12R0.248 CCC(C)CCCOCCCSC 16073e0e284502b440a444b9cca8dc64 [0,3,0,0,0,0|0,0,0]=3 25986 B12R0.248 CCC(C)CCNCCCCC#N 9ef9e2a966f236aee88081ee8317dc08 [0,3,0,0,0,0|1,0,0]=4 25987 B12R0.248 CCC(C)CCNCCCCC=O 359fcd7daf2c54b3c07594221840e0e0 [0,3,0,0,0,0|1,0,0]=4 25988 B12R0.248 CCC(C)CCNCCCCCCl 511c27d1a0aa9f5e765b11a47fbbe9e7 [0,3,0,0,0,0|1,0,0]=4 25989 B12R0.248 CCC(C)CCNCCCCCF 22aca36f22b7a795ff6aa77bffffaf8a [0,3,0,0,0,0|1,0,0]=4 25990 B12R0.248 CCC(C)CCNCCCCCO 6081e1691cff6689294c09df0145c742 [0,3,0,0,0,0|1,0,0]=4 25991 B12R0.248 CCC(C)CCNCCCCOC a03117fa80596f8aa2488e24e961e0a3 [0,3,0,0,0,0|1,0,0]=4 25992 B12R0.248 CCC(C)CCNCCCCON 12a7da00117c891a94fab54c6ec15546 [0,3,0,0,0,0|1,0,0]=4 25993 B12R0.248 CCC(C)CCNCCCCSC 006385fad27ab85f1e93a4924e326b89 [0,3,0,0,0,0|1,0,0]=4 25994 B12R0.248 CCC(C)CCNCCOCCO 2277ae1884d29a99d43c59b4e1f777f9 [0,3,0,0,0,0|1,0,0]=4 25995 B12R0.248 CCC(C)CCNCCOCCS 8d74e0c0c775c0ef39a0612c338b8d76 [0,3,0,0,0,0|1,0,0]=4 25996 B12R0.248 CCC(C)CCNCCOCOC ba0a71a08b84e101aa28ff287a161e52 [0,3,0,0,0,0|1,0,0]=4 25997 B12R0.248 CCC(C)CCNCCSCCO b897a9d59a2e52e1d70aeb3fd7bb6cb9 [0,3,0,0,0,0|1,0,0]=4 25998 B12R0.248 CCC(C)CCNCOCCOC 936808b032ce4ab3a4f338d4bfe4c598 [0,3,0,0,0,0|1,0,0]=4 25999 B12R0.248 CCC(C)CCOCC#CCOC 4e163f59fa75540c01bfada9d63d5552 [0,3,0,0,0,0|0,0,1]=4 26000 B12R0.248 CCC(C)CCOCCCCC#N ac73e91e5eee2ff45466da53a039ffc8 [0,3,0,0,0,0|0,0,0]=3 26001 B12R0.248 CCC(C)CCOCCCCC=O 4f0eb11a6f0fed556c0459bbd454b971 [0,3,0,0,0,0|0,0,0]=3 26002 B12R0.248 CCC(C)CCOCCCCCF fbe1c8389d314de1c9f0135fa35b5f1a [0,3,0,0,0,0|0,0,0]=3 26003 B12R0.248 CCC(C)CCOCCCCOC 9bba989ebe77f6e04298c0ddc7957424 [0,3,0,0,0,0|0,0,0]=3 26004 B12R0.248 CCC(C)CCOCCCCSC 2c7abf00ff3724f3b835d007cc8bded0 [0,3,0,0,0,0|0,0,0]=3 26005 B12R0.248 CCC(C)CCOCCOCC#N 71270b427d480fcffec1088e8519a955 [0,3,0,0,0,0|0,0,1]=4 26006 B12R0.248 CCC(C)CCOCCOCC=O 6377704c4fd2481dbeea66ae7db28deb [0,3,0,0,0,0|0,0,1]=4 26007 B12R0.248 CCC(C)CCOCCOCCF 90b48b6972c3a6ab2b80ebcf2dc7e115 [0,3,0,0,0,0|0,0,0]=3 26008 B12R0.248 CCC(C)CCOCCOCCS 7bd4e73d12749e21c3cd4688da8dc317 [0,3,0,0,0,0|0,0,0]=3 26009 B12R0.248 CCC(C)CCOCCOCOC 5d832d2a7ebf61a54c264bde7d57943d [0,3,0,0,0,0|0,0,0]=3 26010 B12R0.248 CCC(C)CCOCOCCOC 00f47dd35f361c0a4346e1f040f00a55 [0,3,0,0,0,0|0,0,0]=3 26011 B12R0.248 CCC(C)CNCCCCCC#N 8c20047cd6fbcf5839ba6a9ecabb51a2 [0,3,0,0,0,0|1,0,0]=4 26012 B12R0.248 CCC(C)CNCCCCCC=O 893992708f3c4d2ddcdefaee381ce922 [0,3,0,0,0,0|1,0,0]=4 26013 B12R0.248 CCC(C)CNCCCCCCCl b0cf3915dc4a0439da9e4b45a3c67bf3 [0,3,0,0,0,0|1,0,0]=4 26014 B12R0.248 CCC(C)CNCCCCCCF a5ae952f2bbc459c6a4eff8a68c8ef8c [0,3,0,0,0,0|1,0,0]=4 26015 B12R0.248 CCC(C)CNCCCCCCO be0cea1760f7cb2e8f6ccdb186ff563b [0,3,0,0,0,0|1,0,0]=4 26016 B12R0.248 CCC(C)CNCCCCCOC 453bab8d6dc227b45ee217dac064e778 [0,3,0,0,0,0|1,0,0]=4 26017 B12R0.248 CCC(C)CNCCCOCCO 0f79cc8e506311c8602a7fb0176277c1 [0,3,0,0,0,0|1,0,0]=4 26018 B12R0.248 CCC(C)CNCCOCCCO 4ae106e43f3a9b749dff3574aa562ce4 [0,3,0,0,0,0|1,0,0]=4 26019 B12R0.248 CCC(C)CNCCOCCOC 2ec452d33b3b79f3da79e441781423b9 [0,3,0,0,0,0|1,0,0]=4 26020 B12R0.248 CCC(C)COCCCCCC#N 4998554ca0fd0b5289d3762997af600f [0,3,0,0,0,0|0,0,0]=3 26021 B12R0.248 CCC(C)COCCCCCC=O c5d38d0b8b5815eb616197dbdcca2ebe [0,3,0,0,0,0|0,0,0]=3 26022 B12R0.248 CCC(C)COCCCCCCF f6c8b9fb64853b51635193ee6ac66b9c [0,3,0,0,0,0|0,0,0]=3 26023 B12R0.248 CCC(C)COCCCCCCS 012f5b0742572efe572354f369267ded [0,3,0,0,0,0|0,0,0]=3 26024 B12R0.248 CCC(C)COCCCCCOC 2cb79c5ba8958767d6d5ba0d99c5575a [0,3,0,0,0,0|0,0,0]=3 26025 B12R0.248 CCC(C)COCCCOCC#N c24dd792183cceedeb0c2c0a77553622 [0,3,0,0,0,0|0,0,1]=4 26026 B12R0.248 CCC(C)COCCOCCC#N 5aaf8d108388642c2c3e24cffd5001f7 [0,3,0,0,0,0|0,0,1]=4 26027 B12R0.248 CCC(C)COCCOCCOC ba880ec7f69f6f988815d27b54e1a5d6 [0,3,0,0,0,0|0,0,0]=3 26028 B12R0.248 CCC(C)NCCCCCCCO b1e64bc770d96cf8cd5d175fcbae0a1f [0,3,0,0,0,0|1,0,0]=4 26029 B12R0.248 CCC(C)NCCCCCCOC 7b5d63dc0149129b3b4a978b1e353fd8 [0,3,0,0,0,0|1,0,0]=4 26030 B12R0.248 CCC(C)NCCCOCCCO 5a8fce5490bf6e0dc18d3d7cc285fdec [0,3,0,0,0,0|1,0,0]=4 26031 B12R0.248 CCC(C)NCCCOCCOC 8e2e72ac1426fd8124091fc7aec5613a [0,3,0,0,0,0|1,0,0]=4 26032 B12R0.248 CCC(C)NCCCOCCSC 2d415e3ccd908cb18a0538e7a06660b6 [0,3,0,0,0,0|1,0,0]=4 26033 B12R0.248 CCC(C)OCCCCCCOC 4f0dcd674abbf6ece19e191f3c714077 [0,3,0,0,0,0|1,0,0]=4 26034 B12R0.248 CCC(C)OCCCOCCOC 2c59d40bebfb7388e46f35fad5edc9cb [0,3,0,0,0,0|1,0,0]=4 26035 B12R0.248 CCC(O)CNCCCCCC#N 662d2edcf57b6b9859df00fd60681d64 [0,3,0,0,0,0|1,0,0]=4 26036 B12R0.248 CCC(O)CNCCCCCC=O 144d37e6a8f1ef6e797e0915fc316802 [0,3,0,0,0,0|1,0,0]=4 26037 B12R0.248 CCC(O)CNCCCCCCCl ca7493e866b53a0c7f5c756cee2b09a1 [0,3,0,0,0,0|1,0,0]=4 26038 B12R0.248 CCC(O)CNCCCCCCF d5599bbe17d99efcc2ec435df0e60f03 [0,3,0,0,0,0|1,0,0]=4 26039 B12R0.248 CCC(O)CNCCCCCCO 6994982391dd2f1efac21f59bbd849bb [0,3,0,0,0,0|1,0,0]=4 26040 B12R0.248 CCC(O)CNCCCCCOC 33a7f976a7f22076756936d84bb6a342 [0,3,0,0,0,0|1,0,0]=4 26041 B12R0.248 CCC(O)CNCCCOCCO 30594ffa95d33c330cd7030b70373dda [0,3,0,0,0,0|1,0,0]=4 26042 B12R0.248 CCC(O)CNCCOCCCO 7e13d9aa2fdf4b7378b9af2a4151a1c6 [0,3,0,0,0,0|1,0,0]=4 26043 B12R0.248 CCC(O)CNCCOCCOC 5d3ea24bb5ca9e2feae34cd254e8a557 [0,3,0,0,0,0|1,0,0]=4 26044 B12R0.248 CCC(S)CCOCC#CCOC 40027174069a89bce1f55a0c9e53ba1f [0,3,0,0,0,0|0,0,1]=4 26045 B12R0.248 CCC(S)CCOCCCCC#N 5b8709ee1c3244d958be2860f106489b [0,3,0,0,0,0|0,0,0]=3 26046 B12R0.248 CCC(S)CCOCCCCC=O 303d61827cc2bb9b765a5e46eff4e41a [0,3,0,0,0,0|0,0,0]=3 26047 B12R0.248 CCC(S)CCOCCCCCF 8d9518a2b7d0480f4e0858526a499b4a [0,3,0,0,0,0|0,0,0]=3 26048 B12R0.248 CCC(S)CCOCCCCOC be9796176d626ed070b3b05dc1468dbd [0,3,0,0,0,0|0,0,0]=3 26049 B12R0.248 CCC(S)CCOCCOCC#N 324c1b02046a53f308b69f1c1f8e7604 [0,3,0,0,0,0|0,0,1]=4 26050 B12R0.248 CCC(S)CCOCCOCC=O f5debb3a97fca0ebec748da43c44461f [0,3,0,0,0,0|0,0,1]=4 26051 B12R0.248 CCC(S)CCOCCOCOC 955cc04f556e6884e1dd52b81882e80a [0,3,0,0,0,0|0,0,0]=3 26052 B12R0.248 CCC(S)CCOCOCCOC 08aaafb5610d2dc91da5af4e192d5a14 [0,3,0,0,0,0|0,0,0]=3 26053 B12R0.248 CCC/C=C/CNCCC(C)CC 82f472db89f1adfa4668286f54f71349 [0,3,0,0,0,0|1,0,0]=4 26054 B12R0.248 CCC/C=C/COCCC(C)CC 58175c93918aa8b39eeca323ff1e84bb [0,3,0,0,0,0|0,0,0]=3 26055 B12R0.248 CCC/C=C/COCCC(C)OC 8f0387e0c26edf91d5ce3e76575c2e7a [0,3,0,0,0,0|0,0,1]=4 26056 B12R0.248 CCC/C=C/COCCC(S)CC 6bf8ae83df5b39acae71157e51acac67 [0,3,0,0,0,0|0,0,0]=3 26057 B12R0.248 CCC/C=C/COCCS(=O)CC 61c13497c88cf8d4de2b7d68106e276f [0,3,0,0,0,0|0,0,1]=4 26058 B12R0.248 CCC/C=C/COCC[C@@H](C)CC 8e08aa48a3a1f2125617eba624714221 [0,3,0,0,0,0|0,0,0]=3 26059 B12R0.248 CCC/C=C\CCOCC(=O)CC 3f1d2844c521f4fbac3534c38fa6a81e [0,3,0,0,0,0|0,0,1]=4 26060 B12R0.248 CCC/C=C\CCOCC(C)CC 5abf168b9aa60be239fd7d7e18273cd6 [0,3,0,0,0,0|0,0,0]=3 26061 B12R0.248 CCC/C=C\CCOCC(C)OC 772c8a1877015b6c3320c5406e1ddbbf [0,3,0,0,0,0|1,0,0]=4 26062 B12R0.248 CCC/C=C\CCOCC(O)CO 89e8ee6d0542f4e05e2705fd536b4e6b [0,3,0,0,0,0|1,0,0]=4 26063 B12R0.248 CCC/C=C\CCOC[C@@H](C)CC 812ee56f8eee6d7201e0eaf919b95c65 [0,3,0,0,0,0|0,0,0]=3 26064 B12R0.248 CCC/C=C\CCOC[C@@H](C)OC 94d74bacd581e920cbe43275f95e9b45 [0,3,0,0,0,0|1,0,0]=4 26065 B12R0.248 CCC/C=C\CCOC[C@@H](O)CO e9984c4a03243347b1dc3fc8cc504a0c [0,3,0,0,0,0|1,0,0]=4 26066 B12R0.248 CCC/C=C\CCOC[C@H](C)CC 22bc09b5ef7432bc06c1bab94ac3097d [0,3,0,0,0,0|0,0,0]=3 26067 B12R0.248 CCC/C=C\CCOC[C@H](C)OC 78576a1c4837247d226b7cc84909a985 [0,3,0,0,0,0|1,0,0]=4 26068 B12R0.248 CCC/C=C\CCOC[C@H](O)CO 8903ee53dce1c0a56ce30848fa081119 [0,3,0,0,0,0|1,0,0]=4 26069 B12R0.248 CCC/C=C\CNCCC(C)CC 3f793966df827f215be98fada17ef12d [0,3,0,0,0,0|1,0,0]=4 26070 B12R0.248 CCC/C=C\COCCC(C)CC 4a545c2e1e6fb896a72c1765bceeadcb [0,3,0,0,0,0|0,0,0]=3 26071 B12R0.248 CCC/C=C\COCCC(C)OC 77e020afc06fea93d4b6fcf4d453c939 [0,3,0,0,0,0|0,0,1]=4 26072 B12R0.248 CCC/C=C\COCCC(S)CC b0f0d60f25723412e2e8b0c26f84d480 [0,3,0,0,0,0|0,0,0]=3 26073 B12R0.248 CCC/C=C\COCCS(=O)CC aade3fbf1fef853791a71de811dc1af6 [0,3,0,0,0,0|0,0,1]=4 26074 B12R0.248 CCC/C=C\COCC[C@@H](C)CC b9e7d50ba2c811a9352ce341b0f9ed29 [0,3,0,0,0,0|0,0,0]=3 26075 B12R0.248 CCCC#CCCOCC(=O)CC 68931246e071ac21759c2ad3fb141fe1 [0,3,0,0,0,0|0,0,1]=4 26076 B12R0.248 CCCC#CCCOCC(C)CC d1b2511b92800b38f5fd434e851ad5cb [0,3,0,0,0,0|0,0,0]=3 26077 B12R0.248 CCCC#CCCOCC(C)OC faa06f6703795f6324eb395b8651856a [0,3,0,0,0,0|1,0,0]=4 26078 B12R0.248 CCCC#CCCOCC(O)CO 6bdbb1c485a22fcf7918c9dc68354820 [0,3,0,0,0,0|1,0,0]=4 26079 B12R0.248 CCCC#CCCOC[C@@H](C)CC 01980bc92242f247e2b02da1462f0df3 [0,3,0,0,0,0|0,0,0]=3 26080 B12R0.248 CCCC#CCCOC[C@@H](C)OC 1730e3a644d9b6a175e44d3338d1ecf2 [0,3,0,0,0,0|1,0,0]=4 26081 B12R0.248 CCCC#CCCOC[C@@H](O)CO 44b20d565ea1683d687890ae4d84e0dc [0,3,0,0,0,0|1,0,0]=4 26082 B12R0.248 CCCC#CCCOC[C@H](C)CC e74ed73c2415726e5f45389a0d27f5ee [0,3,0,0,0,0|0,0,0]=3 26083 B12R0.248 CCCC#CCCOC[C@H](C)OC 2277ff7168f0bb140fc9625d25dd033d [0,3,0,0,0,0|1,0,0]=4 26084 B12R0.248 CCCC#CCCOC[C@H](O)CO 48a56802a0fba079c2fa8cdbab5280b7 [0,3,0,0,0,0|1,0,0]=4 26085 B12R0.248 CCCC#CCOCCC(C)CC 39ba5429ee0bcb23ff013ec0e3588a90 [0,3,0,0,0,0|0,0,0]=3 26086 B12R0.248 CCCC#CCOCCS(=O)CC 9327f4514ddcec6827cb8795639ac4aa [0,3,0,0,0,0|0,0,1]=4 26087 B12R0.248 CCCC/C=C/CNCC(C)CC 57832c83f0e41ade9fa29d6efc069ed8 [0,3,0,0,0,0|1,0,0]=4 26088 B12R0.248 CCCC/C=C/CNCC(O)CC 1c07fc7186b0afaa2fc552d94f7a2ad7 [0,3,0,0,0,0|1,0,0]=4 26089 B12R0.248 CCCC/C=C/CNC[C@@H](C)CC 82af75aa77d8f77f68302aea85b7e82a [0,3,0,0,0,0|1,0,0]=4 26090 B12R0.248 CCCC/C=C/CNC[C@H](O)CC 871e10c9471ab4af0e66918d92da77af [0,3,0,0,0,0|1,0,0]=4 26091 B12R0.248 CCCC/C=C/COCC(=O)CC 51aa68238ab7ddc12b1cf745427d670b [0,3,0,0,0,0|0,0,1]=4 26092 B12R0.248 CCCC/C=C/COCC(Br)CBr 100ca55facb5117d6897b104f4c274b1 [0,3,0,0,0,0|1,0,0]=4 26093 B12R0.248 CCCC/C=C/COCC(C)CC 94199307f0f8cad5c709bf4ff4b3cf0a [0,3,0,0,0,0|0,0,0]=3 26094 B12R0.248 CCCC/C=C/COCC(C)OC a9c5ba0ab7260a317d141ec2af6ce87c [0,3,0,0,0,0|1,0,0]=4 26095 B12R0.248 CCCC/C=C/COCC(Cl)CCl ba71e48c627a3074da8a931fd4b6e3d2 [0,3,0,0,0,0|1,0,0]=4 26096 B12R0.248 CCCC/C=C/COCC(O)CO 318f38cbb4f41cfec1a50936caff6eb3 [0,3,0,0,0,0|1,0,0]=4 26097 B12R0.248 CCCC/C=C/COCC(S)CS 54f549ceccc42a8af38259fc08924e2f [0,3,0,0,0,0|1,0,0]=4 26098 B12R0.248 CCCC/C=C/COC[C@@H](C)CC df6a12ba737f96b416e26dcedfc2698e [0,3,0,0,0,0|0,0,0]=3 26099 B12R0.248 CCCC/C=C/COC[C@@H](C)OC edd29aaec99a693023f7f9fc022bb365 [0,3,0,0,0,0|1,0,0]=4 26100 B12R0.248 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[0,3,0,0,0,0|1,0,0]=4 26166 B12R0.248 CCCCCCCNC[C@@H](C)CO 6da6ce4cf2711418c5cb665f9953dc70 [0,3,0,0,0,0|1,0,0]=4 26167 B12R0.248 CCCCCCCNC[C@@H](C)OC 69689cab1ba2528997a5fd9ba7582780 [0,3,0,0,0,0|1,0,0]=4 26168 B12R0.248 CCCCCCCNC[C@@H](F)CO 57393e78caa9829fe88f26e0b54941dd [0,3,0,0,0,0|1,0,0]=4 26169 B12R0.248 CCCCCCCNC[C@@H](O)CO 5f1ca85a80ea13607b6b264d64a6ba8f [0,3,0,0,0,0|1,0,0]=4 26170 B12R0.248 CCCCCCCNC[C@H](C)CC 89c8ad7176bf7058d9a0e019c78741e1 [0,3,0,0,0,0|1,0,0]=4 26171 B12R0.248 CCCCCCCNC[C@H](C)CO 512d941bf12e52d1f452076e2dd98123 [0,3,0,0,0,0|1,0,0]=4 26172 B12R0.248 CCCCCCCNC[C@H](C)OC 9ff56a0c318e23ca54280026ef7717bc [0,3,0,0,0,0|1,0,0]=4 26173 B12R0.248 CCCCCCCNC[C@H](F)CO eb7388c10575ec742adb18bf8921cc18 [0,3,0,0,0,0|1,0,0]=4 26174 B12R0.248 CCCCCCCNC[C@H](O)CC 012a92f8cbf2c944047eade9e2501a07 [0,3,0,0,0,0|1,0,0]=4 26175 B12R0.248 CCCCCCCNC[C@H](O)CO 858579fb9b2ee7593835f5359cac34e0 [0,3,0,0,0,0|1,0,0]=4 26176 B12R0.248 CCCCCCCOCC(=O)CC 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d4094f553b7794f4d8e0c258b7a59be2 [0,3,0,0,0,0|0,0,0]=3 26188 B12R0.248 CCCCCCCOC[C@H](C)OC 5e5d407c76b62f4d6065605fd32997c5 [0,3,0,0,0,0|1,0,0]=4 26189 B12R0.248 CCCCCCCOC[C@H](O)CO 4e16fd13f50d197d72e3c151b9b5054a [0,3,0,0,0,0|1,0,0]=4 26190 B12R0.248 CCCCCCNCCC(C)CC d746abf1cdf2bc5ccb95ab1221c838d0 [0,3,0,0,0,0|1,0,0]=4 26191 B12R0.248 CCCCCCNCCC(C)CO 504977974d38fdea0e356fcbb30e426e [0,3,0,0,0,0|1,0,0]=4 26192 B12R0.248 CCCCCCNCCC(O)CO ce8edc3ac7dd8b7ceb3a76bc9758ba22 [0,3,0,0,0,0|1,0,0]=4 26193 B12R0.248 CCCCCCNCCS(=O)CC e964d1c90a957a19479bf0a95bb8a4ec [0,3,0,0,0,0|1,0,0]=4 26194 B12R0.248 CCCCCCNCC[C@@H](C)CO 74511eb67258178be77544d52e2594e6 [0,3,0,0,0,0|1,0,0]=4 26195 B12R0.248 CCCCCCOCCC(=O)NC dc8f3be555a715028c848fc47355aefa [0,3,0,0,0,0|0,0,1]=4 26196 B12R0.248 CCCCCCOCCC(=O)OC fcfca6f4a105eb36c6bdf010574fee04 [0,3,0,0,0,0|0,0,1]=4 26197 B12R0.248 CCCCCCOCCC(C)CC 0bf22f4f31b54d481b3dc28178050982 [0,3,0,0,0,0|0,0,0]=3 26198 B12R0.248 CCCCCCOCCC(C)OC 8baa815023902eeec2134340266a7918 [0,3,0,0,0,0|0,0,0]=3 26199 B12R0.248 CCCCCCOCCC(S)CC 0f7663dcaffff5af72f4b664cdadf80e [0,3,0,0,0,0|0,0,0]=3 26200 B12R0.248 CCCCCCOCCN(C)C#N 204b2dae48c5b1464e4e49f74b13d664 [0,3,0,0,0,0|1,0,0]=4 26201 B12R0.248 CCCCCCOCCN(C)C=O 7fb26b9c90aa644da7a0173310926453 [0,3,0,0,0,0|1,0,0]=4 26202 B12R0.248 CCCCCCOCC[C@@H](C)CC ab96e7d06a7b2bfdf02b55cc867a35fb [0,3,0,0,0,0|0,0,0]=3 26203 B12R0.248 CCCCCCOCOC(=O)CC 3b1eb2d7210e074df13a997019128ed2 [0,3,0,0,0,0|0,0,1]=4 26204 B12R0.248 CCCCCNCCCC(=O)NC 9e3cd31bd5bd22bd1e57817a487c3f2c [0,3,0,0,0,0|1,0,0]=4 26205 B12R0.248 CCCCCNCCCC(=O)OC df636db288139b82b44ccdc35fadd3aa [0,3,0,0,0,0|1,0,0]=4 26206 B12R0.248 CCCCCNCCCC(C)CO 75f4715a7fdd4014f169ec0d56ead1f2 [0,3,0,0,0,0|1,0,0]=4 26207 B12R0.248 CCCCCNCCCN(C)CC c3d422e211f8c0174fa1023c3c5d6758 [0,3,0,0,0,0|1,0,0]=4 26208 B12R0.248 CCCCCNCCNC(=O)CC cdceed1f0b72ea8f2dfb8d1c096a0193 [0,3,0,0,0,0|1,0,0]=4 26209 B12R0.248 CCCCCNCCOC(C)C#N d701563f9029b07553c8889ae28bd517 [0,3,0,0,0,0|1,0,0]=4 26210 B12R0.248 CCCCCOCCCC(=O)NC 26adbe93f4240f6151d8eb03ba68d821 [0,3,0,0,0,0|0,0,0]=3 26211 B12R0.248 CCCCCOCCCC(=O)OC 6d595d79d4a782dba780cd78bb66a9c8 [0,3,0,0,0,0|0,0,0]=3 26212 B12R0.248 CCCCCOCCCC(C)CC 12724e519e83b2c2a2b4c09a8676b5e6 [0,3,0,0,0,0|0,0,0]=3 26213 B12R0.248 CCCCCOCCCN(C)CC d2bb07644b6195bb7ca060bda926a678 [0,3,0,0,0,0|0,0,0]=3 26214 B12R0.248 CCCCCOCCC[C@@H](C)CC 6d6653804edd39adb7dde8b908a3fe18 [0,3,0,0,0,0|0,0,0]=3 26215 B12R0.248 CCCCCOCCNC(=O)CC dc63ddbc4f1369b6b1650cd52229a426 [0,3,0,0,0,0|0,0,0]=3 26216 B12R0.248 CCCCCOCCOC(=O)CC c5dcbbaf984711ca2355a0d7dcdc1660 [0,3,0,0,0,0|0,0,0]=3 26217 B12R0.248 CCCCCOCCOC(=O)OC 959bff4929d622ff13c888beceb3b015 [0,3,0,0,0,0|0,0,1]=4 26218 B12R0.248 CCCCCOCCOC(C)C#N 864bbbe3ff1e52d1a5148ff4176724b9 [0,3,0,0,0,0|0,0,0]=3 26219 B12R0.248 CCCCCOCCOC(C)C=O 3d4aafecfd5a096c4b85138d5a5ca69a [0,3,0,0,0,0|0,0,0]=3 26220 B12R0.248 CCCCCOCCOC(C)CC 50841120c627819ffb2c792316cbc975 [0,3,0,0,0,0|0,0,0]=3 26221 B12R0.248 CCCCCOCCOC(F)C#N 500c95977ea8cdaaeeae6ee3bc798a4d [0,3,0,0,0,0|0,0,1]=4 26222 B12R0.248 CCCCCOCCO[C@H](C)C=O 2ce59c2adaa6e3aa0099fece6ec73159 [0,3,0,0,0,0|0,0,0]=3 26223 B12R0.248 CCCCNCCCCC(=O)CC 75ca588ca1aaa2c811fe1088d3346fe6 [0,3,0,0,0,0|1,0,0]=4 26224 B12R0.248 CCCCNCCCCC(=O)OC 581f41ce8229ec98b014f7c6df60648e [0,3,0,0,0,0|1,0,0]=4 26225 B12R0.248 CCCCOCCCCC(=O)CC e302404d6275421b52ba8d82a0a0ca19 [0,3,0,0,0,0|0,0,0]=3 26226 B12R0.248 CCCCOCCCCC(=O)OC dd999d0123fc4f5efca686b1cd68edc5 [0,3,0,0,0,0|0,0,0]=3 26227 B12R0.248 CCCCOCCCCC(C)CC 227b1c30a46e97406211f2f02b041331 [0,3,0,0,0,0|0,0,0]=3 26228 B12R0.248 CCCCOCCCC[C@@H](C)CC 12328991f83c7bebf418037048ff50f7 [0,3,0,0,0,0|0,0,0]=3 26229 B12R0.248 CCCCOCCCNC(=O)CC 8c32a8226d92a17d8be681c140dc721d [0,3,0,0,0,0|0,0,0]=3 26230 B12R0.248 CCCCOCCCNC(=O)CF 2906e3eadb5484d4907924886d82c387 [0,3,0,0,0,0|0,0,1]=4 26231 B12R0.248 CCCCOCCCNC(=O)CO 087682cecf6183cae64e9b91369034ed [0,3,0,0,0,0|0,0,1]=4 26232 B12R0.248 CCCCOCCCNC(=O)CS c59f0f40ea741739811fc4013c9f1030 [0,3,0,0,0,0|0,0,1]=4 26233 B12R0.248 CCCCOCCCNC(C)C#N 614c73492739c0c0e92d348c64bc7bdb [0,3,0,0,0,0|0,0,0]=3 26234 B12R0.248 CCCCOCCCNC(C)C=O 81cd40665d4fc3a05208353d6983a899 [0,3,0,0,0,0|0,0,0]=3 26235 B12R0.248 CCCCOCCCNC(C)CC 3cf0a7dc9f1e8d2193201aab09db13a3 [0,3,0,0,0,0|0,0,0]=3 26236 B12R0.248 CCCCOCCCNC(C)CO 248fe2ae548c5f280afabcbc876b3264 [0,3,0,0,0,0|0,0,0]=3 26237 B12R0.248 CCCCOCCCNC(F)C#N a88bfe739c94744fac37be6aa53c951a [0,3,0,0,0,0|0,0,1]=4 26238 B12R0.248 CCCCOCCCN[C@@H](C)CO 92d00ecc268b4fe78257e3de62352876 [0,3,0,0,0,0|0,0,0]=3 26239 B12R0.248 CCCCOCCCN[C@H](C)C=O c2fc12059f05d1ee8edad228573904a1 [0,3,0,0,0,0|0,0,0]=3 26240 B12R0.248 CCCCOCCCN[C@H](C)CO 0b202a885f208c21cc4b7a2e01cb8bce [0,3,0,0,0,0|0,0,0]=3 26241 B12R0.248 CCCCOCCCOC(C)C#N b8d366c5647dbc34ae841ca747d140b1 [0,3,0,0,0,0|0,0,0]=3 26242 B12R0.248 CCCCOCCCOC(C)C=O 1447193e7723a59658178a2b912cfc8c [0,3,0,0,0,0|0,0,0]=3 26243 B12R0.248 CCCCOCCCOC(C)CC cc63a68eae9053a199f8864cbe392476 [0,3,0,0,0,0|0,0,0]=3 26244 B12R0.248 CCCCOCCCO[C@H](C)C=O 78cf0da59a9193c85b6c0d6d3622c2c6 [0,3,0,0,0,0|0,0,0]=3 26245 B12R0.248 CCCCOCCNCC(=O)CC 75d8a218093f78d329e5af052bed1a65 [0,3,0,0,0,0|0,0,0]=3 26246 B12R0.248 CCCCOCCNCC(=O)CO 0f6869b585c1cc45e54d6cf12ec4ef7c [0,3,0,0,0,0|0,0,1]=4 26247 B12R0.248 CCCCOCCNCC(=O)NC f898608fb7ef4ddfb6fa13e9c77dc7d8 [0,3,0,0,0,0|0,0,1]=4 26248 B12R0.248 CCCCOCCNCC(=O)OC 74a694a213d8fbe68f34631ef61343ca [0,3,0,0,0,0|0,0,1]=4 26249 B12R0.248 CCCCOCCNCC(Br)CBr cd1a668918bdb7103a717181a9f772b1 [0,3,0,0,0,0|0,0,0]=3 26250 B12R0.248 CCCCOCCNCC(C)C#N 8869d4172d390a7f510581a84026ca16 [0,3,0,0,0,0|0,0,0]=3 26251 B12R0.248 CCCCOCCNCC(C)CC 70a7fa563fbf32286a5201fe5cd084c7 [0,3,0,0,0,0|0,0,0]=3 26252 B12R0.248 CCCCOCCNCC(C)CO 2edc97ea835b2a6b74eb77ffe9fda0d0 [0,3,0,0,0,0|0,0,0]=3 26253 B12R0.248 CCCCOCCNCC(C)OC 7c46d66abd9299efcdadc8f1d0e8d1ad [0,3,0,0,0,0|0,0,0]=3 26254 B12R0.248 CCCCOCCNCC(F)CO 0f3161755ece91597b03e6fc85e7d7db [0,3,0,0,0,0|0,0,0]=3 26255 B12R0.248 CCCCOCCNCC(O)CC 5357718e3a9dec554e41e10db71f2df6 [0,3,0,0,0,0|0,0,0]=3 26256 B12R0.248 CCCCOCCNCC(O)CF 89b022672c024af95361e7877b2e8333 [0,3,0,0,0,0|0,0,0]=3 26257 B12R0.248 CCCCOCCNCC(O)CO 9f45b352c00f22aaa61061cdcae2be90 [0,3,0,0,0,0|0,0,0]=3 26258 B12R0.248 CCCCOCCNC[C@@H](C)CC db67e89a9726777a0f55ed6e47940565 [0,3,0,0,0,0|0,0,0]=3 26259 B12R0.248 CCCCOCCNC[C@@H](C)CO 9575751df8d6e57fae1513abc171a77e [0,3,0,0,0,0|0,0,0]=3 26260 B12R0.248 CCCCOCCNC[C@@H](C)OC 1ff1b1381e6329b854316dccb36578cd [0,3,0,0,0,0|0,0,0]=3 26261 B12R0.248 CCCCOCCNC[C@@H](F)CO d29a9d42ce94536d1d52f579059d4f6e [0,3,0,0,0,0|0,0,0]=3 26262 B12R0.248 CCCCOCCNC[C@@H](O)CO 6a072c7cd2bcd8880f452d70f31d000f [0,3,0,0,0,0|0,0,0]=3 26263 B12R0.248 CCCCOCCNC[C@H](C)CC 545feaf667fec6bb51edfbe9221aeb74 [0,3,0,0,0,0|0,0,0]=3 26264 B12R0.248 CCCCOCCNC[C@H](C)CO 05aae4b7e194ff24d64a47946a8095c2 [0,3,0,0,0,0|0,0,0]=3 26265 B12R0.248 CCCCOCCNC[C@H](C)OC bebc8d64cc844e62412c6f90c443dfd3 [0,3,0,0,0,0|0,0,0]=3 26266 B12R0.248 CCCCOCCNC[C@H](F)CO 9cef36ab2695e3747efa4afe234de182 [0,3,0,0,0,0|0,0,0]=3 26267 B12R0.248 CCCCOCCNC[C@H](O)CC 58e0dc53f1a4bfe039fce964f8077646 [0,3,0,0,0,0|0,0,0]=3 26268 B12R0.248 CCCCOCCNC[C@H](O)CO fa8c00c2bb2dd7d1271c254b22224a9b [0,3,0,0,0,0|0,0,0]=3 26269 B12R0.248 CCCCOCCOC/C(=C/I)/C 59b44454a3e889224b1f55a1bdfa36f8 [0,3,0,0,0,0|0,0,1]=4 26270 B12R0.248 CCCCOCCOCC(=CI)C 04eb52012c0cc91bc1a46f28dc28659f [0,3,0,0,0,0|0,0,1]=4 26271 B12R0.248 CCCCOCCOCC(=O)CC f8726fa251e7ad9e9e69f1f33724cf83 [0,3,0,0,0,0|0,0,0]=3 26272 B12R0.248 CCCCOCCOCC(=O)NC ac82276108a30c92d813f13018c5fe49 [0,3,0,0,0,0|0,0,1]=4 26273 B12R0.248 CCCCOCCOCC(=O)OC 89e5eb57f9e7cc4bc78d0b574208e016 [0,3,0,0,0,0|0,0,1]=4 26274 B12R0.248 CCCCOCCOCC(Br)CBr 4350ddd3e727685d3d3a557ad6ad0f99 [0,3,0,0,0,0|0,0,0]=3 26275 B12R0.248 CCCCOCCOCC(C)C#N 472d9066c6f2915768808a966be7721f [0,3,0,0,0,0|0,0,0]=3 26276 B12R0.248 CCCCOCCOCC(C)CC 3a88cc16b4a9bea1f88526335116b74f [0,3,0,0,0,0|0,0,0]=3 26277 B12R0.248 CCCCOCCOCC(C)OC e44ca1f66b3621147d06dace7aa4ea2b [0,3,0,0,0,0|0,0,0]=3 26278 B12R0.248 CCCCOCCOCC(Cl)CCl 0116892b6f8c4ee30ee1f8a85ae8a4ab [0,3,0,0,0,0|0,0,0]=3 26279 B12R0.248 CCCCOCCOCC(O)CO 673eebf2c29f973b7ef4e902dcd6dfc1 [0,3,0,0,0,0|0,0,0]=3 26280 B12R0.248 CCCCOCCOCC(S)CS e7594342bf876103a5f3412b0d230062 [0,3,0,0,0,0|0,0,0]=3 26281 B12R0.248 CCCCOCCOC[C@@H](C)CC e6d387e6307802aab4f3ea88654cb740 [0,3,0,0,0,0|0,0,0]=3 26282 B12R0.248 CCCCOCCOC[C@@H](C)OC f0bc0fd4a62d4ff19ae9c20644a5f5bf [0,3,0,0,0,0|0,0,0]=3 26283 B12R0.248 CCCCOCCOC[C@@H](O)CO b2a0ef2d0ce8c5d06f1b5d4ba16c46f5 [0,3,0,0,0,0|0,0,0]=3 26284 B12R0.248 CCCCOCCOC[C@H](C)CC d866cfaf6e4c604b7eb1906e1a2084eb [0,3,0,0,0,0|0,0,0]=3 26285 B12R0.248 CCCCOCCOC[C@H](C)OC 8a6f187f71ea5a7a43e9f07b64b2a33e [0,3,0,0,0,0|0,0,0]=3 26286 B12R0.248 CCCCOCCOC[C@H](O)CO c55eedb0c3e73a800286062cb06e3568 [0,3,0,0,0,0|0,0,0]=3 26287 B12R0.248 CCCCOCNCCC(=O)NC 793b661b19051b73a51a1600b22997d5 [0,3,0,0,0,0|0,0,1]=4 26288 B12R0.248 CCCCOCNCCC(=O)OC 35b500e39525256661d143221b8cca4b [0,3,0,0,0,0|0,0,1]=4 26289 B12R0.248 CCCCOCNCCC(C)CC 40bc60e36af2e273bea33945f2ea3729 [0,3,0,0,0,0|0,0,0]=3 26290 B12R0.248 CCCCOCNCCC(C)CO cd4768c6b9ef76db08c0f44666135907 [0,3,0,0,0,0|0,0,0]=3 26291 B12R0.248 CCCCOCNCCC(O)CO 6820127802730b6c84ac7e44954d4e94 [0,3,0,0,0,0|0,0,0]=3 26292 B12R0.248 CCCCOCNCC[C@@H](C)CO 7d1b6404c3375968ea345a91b1ef594a [0,3,0,0,0,0|0,0,0]=3 26293 B12R0.248 CCCCOCOCCC(=O)NC ce7811e66f6af02315abc30465b090dc [0,3,0,0,0,0|0,0,1]=4 26294 B12R0.248 CCCCOCOCCC(=O)OC 8b2491aaa475fceebe5f1f149aac5b84 [0,3,0,0,0,0|0,0,1]=4 26295 B12R0.248 CCCCOCOCCC(C)CC 6d79e4320b267207fbf4e12157eb0589 [0,3,0,0,0,0|0,0,0]=3 26296 B12R0.248 CCCCOCOCCC(C)OC bba2269055232cac32725fd530ab4c20 [0,3,0,0,0,0|0,0,0]=3 26297 B12R0.248 CCCCOCOCCC(S)CC 848e97bca5aceb5cc1f1215457e493ff [0,3,0,0,0,0|0,0,0]=3 26298 B12R0.248 CCCCOCOCCN(C)C#N 0008586eee7deeda23c0dffacca8acc9 [0,3,0,0,0,0|1,0,0]=4 26299 B12R0.248 CCCCOCOCCN(C)C=O 3f26687470bef472338e844d3aff978d [0,3,0,0,0,0|1,0,0]=4 26300 B12R0.248 CCCCOCOCC[C@@H](C)CC 9bc70de5169650db08b6e7a4a103c040 [0,3,0,0,0,0|0,0,0]=3 26301 B12R0.248 CCCCSCCOCC(=O)CC 372f02d9258a1c8a160b99b888c2d707 [0,3,0,0,0,0|0,0,1]=4 26302 B12R0.248 CCCCSCCOCC(C)C#N 68e743974fea42ce84234d45cb4d6bbd [0,3,0,0,0,0|0,1,0]=4 26303 B12R0.248 CCCCSCCOCC(C)CC 8af86fc991a22d2870634bd5b792aa2a [0,3,0,0,0,0|0,0,0]=3 26304 B12R0.248 CCCCSCCOCC(C)OC 32fd22f2ca04816dfbe5aaae33af241e [0,3,0,0,0,0|0,1,0]=4 26305 B12R0.248 CCCCSCCOCC(O)CO 810010df9793b9103060e23065ca2cbc [0,3,0,0,0,0|0,1,0]=4 26306 B12R0.248 CCCCSCCOC[C@@H](C)CC 08cc68b1e76966dbe20f907500b41362 [0,3,0,0,0,0|0,0,0]=3 26307 B12R0.248 CCCCSCCOC[C@@H](C)OC bb728725e7885f18ebac1811acbf0871 [0,3,0,0,0,0|0,1,0]=4 26308 B12R0.248 CCCCSCCOC[C@@H](O)CO 66f4915b93a0f15cf1ab0de7b320e16c [0,3,0,0,0,0|0,1,0]=4 26309 B12R0.248 CCCCSCCOC[C@H](C)CC eeddb91c836136be6c1ad0d2ce51be37 [0,3,0,0,0,0|0,0,0]=3 26310 B12R0.248 CCCCSCCOC[C@H](C)OC 1d55a94561ce01d10cb56b10d16e58ab [0,3,0,0,0,0|0,1,0]=4 26311 B12R0.248 CCCCSCCOC[C@H](O)CO 269b7dc9a9be539973844e2cbc5ee6c0 [0,3,0,0,0,0|0,1,0]=4 26312 B12R0.248 CCCOCCCCCC(C)CC 9f77c79cbbc99ad412360db274ad6c6a [0,3,0,0,0,0|1,0,0]=4 26313 B12R0.248 CCCOCCCCC[C@@H](C)CC aab92d9063ab272fd6336daab6308ca7 [0,3,0,0,0,0|1,0,0]=4 26314 B12R0.248 CCCOCCCNCC(C)CC 34f2256af422c18ed028eba23a0f9fa3 [0,3,0,0,0,0|1,0,0]=4 26315 B12R0.248 CCCOCCCNCC(O)CC e1f11e4c84f2c698b98b4521c6fa7188 [0,3,0,0,0,0|1,0,0]=4 26316 B12R0.248 CCCOCCCNC[C@@H](C)CC 60f99dcb8808bb877a1a47eeb1778eec [0,3,0,0,0,0|1,0,0]=4 26317 B12R0.248 CCCOCCCNC[C@H](C)CC 842af79e4aace16b01219ca375db892d [0,3,0,0,0,0|1,0,0]=4 26318 B12R0.248 CCCOCCCNC[C@H](O)CC fa52f29ddb6af9621d115120f129c2ac [0,3,0,0,0,0|1,0,0]=4 26319 B12R0.248 CCCOCCCOCC(=O)CC 3d5a90d91906d494b786ce6fb0994cf6 [0,3,0,0,0,0|0,0,1]=4 26320 B12R0.248 CCCOCCCOCC(Br)CBr e07e3ae71eecb5df247f9c54afbb6dc0 [0,3,0,0,0,0|1,0,0]=4 26321 B12R0.248 CCCOCCCOCC(C)CC 0c0fcd53fa44f62f50c1acfbd1f398a8 [0,3,0,0,0,0|0,0,0]=3 26322 B12R0.248 CCCOCCCOCC(C)OC f756b683068810b1185cc0f4201dcf31 [0,3,0,0,0,0|1,0,0]=4 26323 B12R0.248 CCCOCCCOCC(Cl)CCl 077edd1fcef266846114b04ae43bfa43 [0,3,0,0,0,0|1,0,0]=4 26324 B12R0.248 CCCOCCCOCC(S)CS 4e5863f42095ca0b73a9d84cf0ac5e4c [0,3,0,0,0,0|1,0,0]=4 26325 B12R0.248 CCCOCCCOC[C@@H](C)CC 65979b658d11640c32bb3fe6d9886bb6 [0,3,0,0,0,0|0,0,0]=3 26326 B12R0.248 CCCOCCCOC[C@@H](C)OC f76149b83056ef0c044ed9f34d75d1d8 [0,3,0,0,0,0|1,0,0]=4 26327 B12R0.248 CCCOCCCOC[C@H](C)CC 48ff71dcbc2caebd49b2a280a73eb7cb [0,3,0,0,0,0|0,0,0]=3 26328 B12R0.248 CCCOCCCOC[C@H](C)OC 7abb2e9df558dfa3bfad336da9daa200 [0,3,0,0,0,0|1,0,0]=4 26329 B12R0.248 CCCOCCNCCC(C)CC 0ef22e9f538dc35f5d86e4e06222ab87 [0,3,0,0,0,0|1,0,0]=4 26330 B12R0.248 CCCOCCNCCC(C)CO 8e95d2bf043d6ccfb0489f91ba98ed09 [0,3,0,0,0,0|1,0,0]=4 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2f64d641942e0d58fa902485fcd33485 [0,3,0,0,0,0|0,0,0]=3 26343 B12R0.248 CCCOCCOCC[C@@H](C)CC cc50f0531eea8f980afd3b971ba289ad [0,3,0,0,0,0|0,0,0]=3 26344 B12R0.248 CCCOCCOCOC(=O)CC 7e3fefdabea0c1f6bf0182d7d89410c2 [0,3,0,0,0,0|0,0,1]=4 26345 B12R0.248 CCCSCCCCNC(C)CC c7d636649f800424f3211b728444020c [0,3,0,0,0,0|1,0,0]=4 26346 B12R0.248 CCCSCCOCCC(=O)NC 995781840eade2e69f52f70c2ba6c3ed [0,3,0,0,0,0|0,0,1]=4 26347 B12R0.248 CCCSCCOCCC(=O)OC 85f0fccad2b77557055b9c6707ac1159 [0,3,0,0,0,0|0,0,1]=4 26348 B12R0.248 CCCSCCOCCC(C)CC 1a05855fc6c01cbe1a10742189391fb4 [0,3,0,0,0,0|0,0,0]=3 26349 B12R0.248 CCCSCCOCCS(=O)CC 8565f240ab1fcdb0c86382f2d98d2e26 [0,3,0,0,0,0|0,0,0]=3 26350 B12R0.248 CCCSCCOCOC(=O)CC 46544d2dede36aa030696fbf3b77fa8c [0,3,0,0,0,0|0,0,1]=4 26351 B12R0.248 CCN(C)CCCCCCCCO 247c7e02e3da17aa0d7359733b690928 [0,3,0,0,0,0|1,0,0]=4 26352 B12R0.248 CCN(C)CCCNCCCCF 09cc7a58f0d84bc12c5ce106615f602d [0,3,0,0,0,0|1,0,0]=4 26353 B12R0.248 CCN(C)CCCNCCCCO 9878bc79a8535ab7b66cea386100e091 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CCN(C)CCOCCOCSC f3ac22194ec4adbc33f83f3a139950cb [0,3,0,0,0,0|1,0,0]=4 26366 B12R0.248 CCOCCCNCCC(C)CC 2528e8f017c711ad6c27fe097b40469f [0,3,0,0,0,0|1,0,0]=4 26367 B12R0.248 CCOCCCNCCC(C)CO bf433b5d6af821a5f56a1e50d6f2577a [0,3,0,0,0,0|1,0,0]=4 26368 B12R0.248 CCOCCCNCCC(O)CO f7167d72b65126a6cdf0ae8c5d00f622 [0,3,0,0,0,0|1,0,0]=4 26369 B12R0.248 CCOCCCNCCS(=O)CC 61f0116fc29d3fde577c32258b80c563 [0,3,0,0,0,0|1,0,0]=4 26370 B12R0.248 CCOCCCNCC[C@@H](C)CO 81bbb47c1958039fd78b7f811704fcb1 [0,3,0,0,0,0|1,0,0]=4 26371 B12R0.248 CCOCCCOCCC(=O)NC d0d8e215339562d4e030170b49945076 [0,3,0,0,0,0|0,0,1]=4 26372 B12R0.248 CCOCCCOCCC(=O)OC f43e2a7eae5b1694cfc0c56370a39441 [0,3,0,0,0,0|0,0,1]=4 26373 B12R0.248 CCOCCCOCCC(C)CC 85a735d024d73d78debcbb6f26ee0f5d [0,3,0,0,0,0|0,0,0]=3 26374 B12R0.248 CCOCCCOCCC(C)OC 67df87c544f03ab0a5e4c2ef5f954e7f [0,3,0,0,0,0|0,0,0]=3 26375 B12R0.248 CCOCCCOCCC(S)CC e238d579406f2377b70c40a8d7f875a4 [0,3,0,0,0,0|0,0,0]=3 26376 B12R0.248 CCOCCCOCCN(C)C#N 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6e8f7f8af62b0679500cc5271acb09bb [0,3,0,0,0,0|1,0,0]=4 26410 B12R0.248 CCOCOCCCC[C@@H](C)CC 3a2d27457b36184226a2b3ff203ee3fb [0,3,0,0,0,0|1,0,0]=4 26411 B12R0.248 CCS(=O)CCNCCCCCCl 0b71cc9dc2ada6473af8fd7fa27d0265 [0,3,0,0,0,0|1,0,0]=4 26412 B12R0.248 CCS(=O)CCNCCCCCO ac0d553656a2c3e26d3736c52cc09dae [0,3,0,0,0,0|1,0,0]=4 26413 B12R0.248 CCS(=O)CCNCCCCOC c0c04327d5e199370c3751a5b3bd53dd [0,3,0,0,0,0|1,0,0]=4 26414 B12R0.248 CCS(=O)CCNCCCCSC 23b62a3d95353f3bd010cab7a32ecde1 [0,3,0,0,0,0|1,0,0]=4 26415 B12R0.248 CCS(=O)CCOCCCCC#N 667a41ac48f5522df741b3c69f6d2060 [0,3,0,0,0,0|0,0,1]=4 26416 B12R0.248 CCS(=O)CCOCCCCC=O 9a042ca8d30ff16b2fc683efe9af5d19 [0,3,0,0,0,0|0,0,1]=4 26417 B12R0.248 CCS(=O)CCOCCCCOC 03cf7dd84bc8e59130d1e097112eabfc [0,3,0,0,0,0|0,0,0]=3 26418 B12R0.248 CCS(=O)CCOCCCCSC 8568c30d44168255e0982a7f232cf506 [0,3,0,0,0,0|0,0,0]=3 26419 B12R0.248 CCS(=O)CCOCCOCCF 1d4c2ca3ce6fdd3331091068741ce16c [0,3,0,0,0,0|1,0,0]=4 26420 B12R0.248 CCS(=O)CCOCCOCCS c5c233c0fd1cecc6f2e0435de4722e2f [0,3,0,0,0,0|1,0,0]=4 26421 B12R0.248 CCSCCCCNCC(C)CC fb047431176b3a2bff4910c0d9cff557 [0,3,0,0,0,0|1,0,0]=4 26422 B12R0.248 CCSCCCCNCC(O)CC cf7cebd9def79a580f84865726cd4a22 [0,3,0,0,0,0|1,0,0]=4 26423 B12R0.248 CCSCCCCNC[C@@H](C)CC f5cae3226ba7313ab600564a54f5a7e1 [0,3,0,0,0,0|1,0,0]=4 26424 B12R0.248 CCSCCCCNC[C@H](C)CC 5338b0ce3e070adfdb0720420b81e4fc [0,3,0,0,0,0|1,0,0]=4 26425 B12R0.248 CCSCCCNCCC(C)CC 598b596f00733da3eb1f36a28f7b835c [0,3,0,0,0,0|1,0,0]=4 26426 B12R0.248 CCSCCCNCCC(C)CO 27c4ca07c448fca06aa036a399d3ef2b [0,3,0,0,0,0|1,0,0]=4 26427 B12R0.248 CCSCCCNCCC(O)CO 338606dbacbc62ba93d1a33a425ea986 [0,3,0,0,0,0|1,0,0]=4 26428 B12R0.248 CCSCCCNCC[C@@H](C)CO 2ac489f0ae5394bee3d6ee6932a97b87 [0,3,0,0,0,0|1,0,0]=4 26429 B12R0.248 CCSCCCOCCC(=O)NC 955ef0f8a208e6b194b144eed86adbf9 [0,3,0,0,0,0|0,0,1]=4 26430 B12R0.248 CCSCCCOCCC(=O)OC 04c5e4a8ae081d870066ed55798da268 [0,3,0,0,0,0|0,0,1]=4 26431 B12R0.248 CCSCCCOCCC(C)CC 0bc55e141023f1116d152725bf367cda [0,3,0,0,0,0|0,0,0]=3 26432 B12R0.248 CCSCCCOCCC(C)OC d786254f8209ae06167b4db369f878d1 [0,3,0,0,0,0|0,0,0]=3 26433 B12R0.248 CCSCCCOCCC(S)CC 8bdef410db42c0f55a6ba421b7afe589 [0,3,0,0,0,0|0,0,0]=3 26434 B12R0.248 CCSCCCOCCN(C)C#N e7d51247debe8c2db1c02e8b8843bddd [0,3,0,0,0,0|1,0,0]=4 26435 B12R0.248 CCSCCCOCCN(C)C=O 237df8da1ab343802ce512dfe3fbf834 [0,3,0,0,0,0|1,0,0]=4 26436 B12R0.248 CCSCCCOCCS(=O)CC 6c21f87a436a778b406f06f08c469be8 [0,3,0,0,0,0|0,0,0]=3 26437 B12R0.248 CCSCCCOCC[C@@H](C)CC 099a0b71fac36ef03869b4ecec44f611 [0,3,0,0,0,0|0,0,0]=3 26438 B12R0.248 CCSCCCOCOC(=O)CC 1ea2d34eef096c3af23e0d94ec78c04a [0,3,0,0,0,0|0,0,1]=4 26439 B12R0.248 CCSCCNCCCC(C)CO a7e02863a88f5089b72b10e543477d18 [0,3,0,0,0,0|1,0,0]=4 26440 B12R0.248 CCSCCNCCCN(C)CC 4df5d45f7cc357c32f581290886d6a5f [0,3,0,0,0,0|1,0,0]=4 26441 B12R0.248 CCSCCOCCCC(=O)NC e4189dd49d6c5616b55e59ae679b152d [0,3,0,0,0,0|0,0,1]=4 26442 B12R0.248 CCSCCOCCCC(=O)OC a5bb7550b2a8003826b24d020334fa09 [0,3,0,0,0,0|0,0,1]=4 26443 B12R0.248 CCSCCOCCCC(C)CC 2c6f01e8ceaf5ae0898ac18de94aa931 [0,3,0,0,0,0|0,0,0]=3 26444 B12R0.248 CCSCCOCCCN(C)CC e0a158cb4e19fb74aec1bacd24ea2d5b [0,3,0,0,0,0|0,0,0]=3 26445 B12R0.248 CCSCCOCCC[C@@H](C)CC 0c508bff772dbdf3e039c250555f714c [0,3,0,0,0,0|0,0,0]=3 26446 B12R0.248 CCSCCOCCNC(=O)CC 77c84652f63e7e06eaa7aec8bb962a69 [0,3,0,0,0,0|0,0,1]=4 26447 B12R0.248 CCSCCOCCOC(=O)CC af65a707c2f8222aa870a53a73e9db5c [0,3,0,0,0,0|0,0,1]=4 26448 B12R0.248 CCSCCOCCOC(C)C#N 413a961f59f9811d9026f8b96dec40fd [0,3,0,0,0,0|1,0,0]=4 26449 B12R0.248 CC[C@@H](C)CNCCCCCC#N c327c9cdea337dedae88b29396ebdef3 [0,3,0,0,0,0|1,0,0]=4 26450 B12R0.248 CC[C@@H](C)CNCCCCCCCl a396692bb99b039b20edb5b1e684c9ac [0,3,0,0,0,0|1,0,0]=4 26451 B12R0.248 CC[C@@H](C)CNCCCCCCO 35a0b9210c12f687c8031112bea4842a [0,3,0,0,0,0|1,0,0]=4 26452 B12R0.248 CC[C@@H](C)CNCCCCCOC 059d00c001afea645fb57580eb3fb22d [0,3,0,0,0,0|1,0,0]=4 26453 B12R0.248 CC[C@@H](C)CNCCCOCCO 235e7ac5e1181606bf28db178ed70ccc [0,3,0,0,0,0|1,0,0]=4 26454 B12R0.248 CC[C@@H](C)CNCCOCCCO 12dd15bf86b7d768b4effea6cb46b98e [0,3,0,0,0,0|1,0,0]=4 26455 B12R0.248 CC[C@@H](C)CNCCOCCOC 08d6e530c16f8efb537ef212f669c146 [0,3,0,0,0,0|1,0,0]=4 26456 B12R0.248 CC[C@@H](C)COCCCCCC#N 6835602f3b60ff1ddc96a7fd640363e3 [0,3,0,0,0,0|0,0,0]=3 26457 B12R0.248 CC[C@@H](C)COCCCCCC=O e0d9b27a4a04e603038291b8073fcff8 [0,3,0,0,0,0|0,0,0]=3 26458 B12R0.248 CC[C@@H](C)COCCCCCCF ed306dc96dbc250597d0fb47014ee6f3 [0,3,0,0,0,0|0,0,0]=3 26459 B12R0.248 CC[C@@H](C)COCCCCCCS b1a511746b65cc96b8d53ea8afa48f8e [0,3,0,0,0,0|0,0,0]=3 26460 B12R0.248 CC[C@@H](C)COCCCCCOC ae8f66d4b2e382ab31d36c595c499b7d [0,3,0,0,0,0|0,0,0]=3 26461 B12R0.248 CC[C@@H](C)COCCCOCC#N 493240d977e660a65e8cc645d6f4c510 [0,3,0,0,0,0|0,0,1]=4 26462 B12R0.248 CC[C@@H](C)COCCOCCC#N 3b0833509a51b7c296a7b31aa86e5278 [0,3,0,0,0,0|0,0,1]=4 26463 B12R0.248 CC[C@@H](C)COCCOCCOC 1c00140783990add7885301cc8681ae6 [0,3,0,0,0,0|0,0,0]=3 26464 B12R0.248 CC[C@@H](C)NCCCCCCCO 3070068b7cbaa931273c71e741a07715 [0,3,0,0,0,0|1,0,0]=4 26465 B12R0.248 CC[C@@H](C)NCCCCCCOC 4d0661f50849e695f7061df14feb8d57 [0,3,0,0,0,0|1,0,0]=4 26466 B12R0.248 CC[C@@H](C)NCCCOCCCO 65e469ecae48a40d4956878bec22c133 [0,3,0,0,0,0|1,0,0]=4 26467 B12R0.248 CC[C@@H](C)NCCCOCCOC a3f3f3f3ce81ef6d438994bf4f13059c [0,3,0,0,0,0|1,0,0]=4 26468 B12R0.248 CC[C@@H](C)OCCCCCCOC 81e83abacabc0b8f1756dd39b7d35ea0 [0,3,0,0,0,0|1,0,0]=4 26469 B12R0.248 CC[C@@H](C)OCCCOCCOC 440c3c8b0b828194f7cbeaf784b4cb3b [0,3,0,0,0,0|1,0,0]=4 26470 B12R0.248 CC[C@@H](O)CNCCCCCC#N aef2e39d228d2413db2a0f9eb25b5d37 [0,3,0,0,0,0|1,0,0]=4 26471 B12R0.248 CC[C@@H](O)CNCCCCCC=O 0930980ab15dd5c90634b2420a141834 [0,3,0,0,0,0|1,0,0]=4 26472 B12R0.248 CC[C@@H](O)CNCCCCCCF f374f5b724fd32a237adb23a81d6abf0 [0,3,0,0,0,0|1,0,0]=4 26473 B12R0.248 CC[C@@H](O)CNCCCCCCO 2c7d46f7d769af87c612f1133919cd1b [0,3,0,0,0,0|1,0,0]=4 26474 B12R0.248 CC[C@@H](O)CNCCCCCOC 6fe57ffd32e1e6588df06345482e21cb [0,3,0,0,0,0|1,0,0]=4 26475 B12R0.248 CC[C@@H](O)CNCCOCCOC 902da24df767762aae43759238bf3bd2 [0,3,0,0,0,0|1,0,0]=4 26476 B12R0.248 CC[C@H](C)CCCCCOCCF 9861d94717ee5a0c1fd0e8be350d2f3f [0,3,0,0,0,0|1,0,0]=4 26477 B12R0.248 CC[C@H](C)CCCCCOCCS 243793892c51337a2b88c1aebffd36d1 [0,3,0,0,0,0|1,0,0]=4 26478 B12R0.248 CC[C@H](C)CCCCCOCOC 8a26ec64ca20272eb1509efbe68cd05b [0,3,0,0,0,0|1,0,0]=4 26479 B12R0.248 CC[C@H](C)CCCCCOCSC 287b5b4c691fcfa022e7b39d8d2ad483 [0,3,0,0,0,0|1,0,0]=4 26480 B12R0.248 CC[C@H](C)CCCCOCCCF 0092621e2b8b8b021740b096ce7ea4de [0,3,0,0,0,0|1,0,0]=4 26481 B12R0.248 CC[C@H](C)CCCCOCCCS 3a29ae78e356e3613df7c625a6e59e28 [0,3,0,0,0,0|1,0,0]=4 26482 B12R0.248 CC[C@H](C)CCCCOCCOC f5b62c4dd03e33acc9cec5b4feb26fc2 [0,3,0,0,0,0|1,0,0]=4 26483 B12R0.248 CC[C@H](C)CCCCOCCSC 011d7de30ae8c1e5eb602be10bf94468 [0,3,0,0,0,0|1,0,0]=4 26484 B12R0.248 CC[C@H](C)CCCOCCCC#N b0214ad4f84ea2844a58c56782cdda6d [0,3,0,0,0,0|0,0,1]=4 26485 B12R0.248 CC[C@H](C)CCCOCCCC=O 1d2b106542ae50707cfcaeab3dd49473 [0,3,0,0,0,0|0,0,1]=4 26486 B12R0.248 CC[C@H](C)CCCOCCCCF d99020cde694d2965cd068276cba25ac [0,3,0,0,0,0|0,0,0]=3 26487 B12R0.248 CC[C@H](C)CCCOCCCOC 6fee221a7cad46383b5e75c8f34c3d39 [0,3,0,0,0,0|0,0,0]=3 26488 B12R0.248 CC[C@H](C)CCCOCCCSC 02e9c226cca4cb95a81c0e4b2f27c86e [0,3,0,0,0,0|0,0,0]=3 26489 B12R0.248 CC[C@H](C)CCOCC#CCOC c1dd3d785479e4f453db075f261cbf7c [0,3,0,0,0,0|0,0,1]=4 26490 B12R0.248 CC[C@H](C)CCOCCCCC#N d8cefebea15d0d466877fbf8a612f11f [0,3,0,0,0,0|0,0,0]=3 26491 B12R0.248 CC[C@H](C)CCOCCCCC=O 20765cc3bdfc89f1891bc37c24b4ff9d [0,3,0,0,0,0|0,0,0]=3 26492 B12R0.248 CC[C@H](C)CCOCCCCCF 786cea65300e7bad4eb1b80c7f06995f [0,3,0,0,0,0|0,0,0]=3 26493 B12R0.248 CC[C@H](C)CCOCCCCOC 57db59fe9ae55201b25da65d3ef52f64 [0,3,0,0,0,0|0,0,0]=3 26494 B12R0.248 CC[C@H](C)CCOCCOCC#N 5a1e9050c602e344413c789e180475fd [0,3,0,0,0,0|0,0,1]=4 26495 B12R0.248 CC[C@H](C)CCOCCOCC=O 730cf6f560d334f73ebb1241244752a1 [0,3,0,0,0,0|0,0,1]=4 26496 B12R0.248 CC[C@H](C)CCOCCOCOC 70ceae7338dcb903e3e2b60836e607cd [0,3,0,0,0,0|0,0,0]=3 26497 B12R0.248 CC[C@H](C)CCOCOCCOC ccf2c8effcd15b563c6060113293633f [0,3,0,0,0,0|0,0,0]=3 26498 B12R0.248 CC[C@H](C)CNCCCCCC#N 87902af45830c518fcce0da9a11dc25d [0,3,0,0,0,0|1,0,0]=4 26499 B12R0.248 CC[C@H](C)CNCCCCCC=O c86908913f4f4054ba7282df4a072894 [0,3,0,0,0,0|1,0,0]=4 26500 B12R0.248 CC[C@H](C)CNCCCCCCCl 6336856b68dbc8a4c729bff2181c0127 [0,3,0,0,0,0|1,0,0]=4 26501 B12R0.248 CC[C@H](C)CNCCCCCCF e3b5dfda13ee4fdecdb4c853b16569a0 [0,3,0,0,0,0|1,0,0]=4 26502 B12R0.248 CC[C@H](C)CNCCCCCCO 8228c83ddeab969996b8321b6e4059d6 [0,3,0,0,0,0|1,0,0]=4 26503 B12R0.248 CC[C@H](C)CNCCCCCOC 711a1f7db074baec88b2a9be48c0c303 [0,3,0,0,0,0|1,0,0]=4 26504 B12R0.248 CC[C@H](C)CNCCCOCCO 9e167fa4571ed19533c21dd05949e0a4 [0,3,0,0,0,0|1,0,0]=4 26505 B12R0.248 CC[C@H](C)CNCCOCCCO 285f319a7310ce5684606e64542cad00 [0,3,0,0,0,0|1,0,0]=4 26506 B12R0.248 CC[C@H](C)CNCCOCCOC a79cbb00ea80334412157ac50d0b9b94 [0,3,0,0,0,0|1,0,0]=4 26507 B12R0.248 CC[C@H](C)COCCCCCC#N c7b6677e6c63043cdfe5ea20b7ff9b79 [0,3,0,0,0,0|0,0,0]=3 26508 B12R0.248 CC[C@H](C)COCCCCCC=O 4363c6fa286ce992a591e3bb11d36092 [0,3,0,0,0,0|0,0,0]=3 26509 B12R0.248 CC[C@H](C)COCCCCCCF 145f2a35d39437c483b3fc491f3ec11c [0,3,0,0,0,0|0,0,0]=3 26510 B12R0.248 CC[C@H](C)COCCCCCCS 6a8add636da0c2f4b4e7d56e9053207b [0,3,0,0,0,0|0,0,0]=3 26511 B12R0.248 CC[C@H](C)COCCCCCOC a371e387955ad01b617c63013c4c95db [0,3,0,0,0,0|0,0,0]=3 26512 B12R0.248 CC[C@H](C)COCCCOCC#N 96bccab1ae9afb1c99704cb56b302265 [0,3,0,0,0,0|0,0,1]=4 26513 B12R0.248 CC[C@H](C)COCCOCCC#N 612424f44ffa8a7821731ef072e79657 [0,3,0,0,0,0|0,0,1]=4 26514 B12R0.248 CC[C@H](C)COCCOCCOC 07409ef32353f09bb3f3091ff7df86d8 [0,3,0,0,0,0|0,0,0]=3 26515 B12R0.248 CC[C@H](C)NCCCCCCCO b3d4185050783c944d238126e2c7b238 [0,3,0,0,0,0|1,0,0]=4 26516 B12R0.248 CC[C@H](C)NCCCCCCOC 6d1295c460dcadbfeaf5b6ab7f2ee7a2 [0,3,0,0,0,0|1,0,0]=4 26517 B12R0.248 CC[C@H](C)NCCCOCCCO 9584b1516a9d079b1b42c6c7621027f2 [0,3,0,0,0,0|1,0,0]=4 26518 B12R0.248 CC[C@H](C)NCCCOCCOC d9a6b04d30a45a92e3b3bac51debba29 [0,3,0,0,0,0|1,0,0]=4 26519 B12R0.248 CC[C@H](C)OCCCCCCOC b60e4c5c1c153ccab0e5c314894b66d0 [0,3,0,0,0,0|1,0,0]=4 26520 B12R0.248 CC[C@H](C)OCCCOCCOC 0f9881201b46e74ccb8475791567dfa5 [0,3,0,0,0,0|1,0,0]=4 26521 B12R0.248 CN(C#N)CCOCCCCCF 7bd1aa9be7803c3d9502d0e30f8d6d72 [0,3,0,0,0,0|1,0,0]=4 26522 B12R0.248 CN(C=O)CCOCCCCCF e47852c4f40bf3d12075a4614a4f9b73 [0,3,0,0,0,0|1,0,0]=4 26523 B12R0.248 CNC(=O)CCCOCCCCF 94a5abb6a07a84ac7115210c0ffc6018 [0,3,0,0,0,0|0,0,1]=4 26524 B12R0.248 CNC(=O)CCCOCCCCS b788e3346aac455e0b7044b4324d96b4 [0,3,0,0,0,0|0,0,1]=4 26525 B12R0.248 CNC(=O)CCCOCCCOC bede96d51c9d9004dbcc1f598509c607 [0,3,0,0,0,0|0,0,1]=4 26526 B12R0.248 CNC(=O)CCCOCCCSC d66533b353441328197cb7fa4d4a492f [0,3,0,0,0,0|0,0,1]=4 26527 B12R0.248 CNC(=O)CCOCCCCCF b087db8e2180e5297778d7f98329b47f [0,3,0,0,0,0|0,0,1]=4 26528 B12R0.248 CNC(=O)CCOCCCCOC 61d96d61e019b38774d9f4e27f7cc2bd [0,3,0,0,0,0|0,0,1]=4 26529 B12R0.248 CNC(=O)CCOCCCCSC 24c2535cba9823daa7f71a658e758977 [0,3,0,0,0,0|0,0,1]=4 26530 B12R0.248 COC(=O)CCCCOCCCF bbbe3cc0c3dc93f8470810bc74196949 [0,3,0,0,0,0|1,0,0]=4 26531 B12R0.248 COC(=O)CCCCOCCCS 81ad584b317233b8031a8793c90a4cad [0,3,0,0,0,0|1,0,0]=4 26532 B12R0.248 COC(=O)CCCCOCCSC c2c3a617a451eebaa9be27d0f71bb036 [0,3,0,0,0,0|1,0,0]=4 26533 B12R0.248 COC(=O)CCCOCCCCF 1482d8cba418161a2e077ca6d7bdef14 [0,3,0,0,0,0|0,0,1]=4 26534 B12R0.248 COC(=O)CCCOCCCCS 6ec1a1d31bb1dfde0174698676a3e7ea [0,3,0,0,0,0|0,0,1]=4 26535 B12R0.248 COC(=O)CCCOCCCSC 84566f51d5ea85990a2d008be9a7cfde [0,3,0,0,0,0|0,0,1]=4 26536 B12R0.248 COC(=O)CCOCCCCCF 2fab7cb8cb645f8d1406032c1830acc6 [0,3,0,0,0,0|0,0,1]=4 26537 B12R0.248 COC(=O)CCOCCCCSC b741a855b31b680f7773183e0f288ce6 [0,3,0,0,0,0|0,0,1]=4 26538 B12R0.248 COC(C)CCOCCCCC#N 315dfc710dfa556661def62a2e007073 [0,3,0,0,0,0|0,0,1]=4 26539 B12R0.248 COC(C)CCOCCCCC=O fe81ea975be2633510e758639da4979a [0,3,0,0,0,0|0,0,1]=4 26540 B12R0.248 COC(C)CCOCCCCCF 46a6ede89e094cc799c6ef0fd7004656 [0,3,0,0,0,0|0,0,0]=3 26541 B12R0.248 COC(C)CNCCOCCCO d3951366893cf70952572e6fa893336f [0,3,0,0,0,0|1,0,0]=4 26542 B12R0.248 COC(C)COCCCCCC#N e78c291c0b48bec9d9b06f1e5cc57512 [0,3,0,0,0,0|1,0,0]=4 26543 B12R0.248 COC(C)COCCCCCC=O de77badb257ba494ad1f0256f59329fa [0,3,0,0,0,0|1,0,0]=4 26544 B12R0.248 COC(C)COCCCCCCF 44cc9a23fe27d61e75fe4d712da65ac3 [0,3,0,0,0,0|1,0,0]=4 26545 B12R0.248 COC(C)COCCCCCCS 506c3ae86924bad9a3b18012c0228cd7 [0,3,0,0,0,0|1,0,0]=4 26546 B12R0.248 COCCCCCOCC(Br)CBr b84ba3c29c5254f0b4c8ca6bcd8123e5 [0,3,0,0,0,0|1,0,0]=4 26547 B12R0.248 COCCCCCOCC(C)OC c9259aeb04d7d4affa96750271b4419e [0,3,0,0,0,0|1,0,0]=4 26548 B12R0.248 COCCCCCOCC(Cl)CCl d7083271af967a7447dc07dd612c8378 [0,3,0,0,0,0|1,0,0]=4 26549 B12R0.248 COCCCCCOCC(S)CS 2f3231684fac1d30b6e370922092ee4e [0,3,0,0,0,0|1,0,0]=4 26550 B12R0.248 COCCCCCOC[C@@H](C)OC 7f8e4d5790d9f5bfb79eb0e4838174bc [0,3,0,0,0,0|1,0,0]=4 26551 B12R0.248 COCCCCCOC[C@H](C)OC ba90dbba43b7edeea628930fb14d4122 [0,3,0,0,0,0|1,0,0]=4 26552 B12R0.248 COCCCCNCCC(C)CO d66fcc4382e40e15c8e08535866742eb [0,3,0,0,0,0|1,0,0]=4 26553 B12R0.248 COCCCCNCCC(O)CO 835572c7a218db0ddc17c154db069042 [0,3,0,0,0,0|1,0,0]=4 26554 B12R0.248 COCCCCNCC[C@@H](C)CO 3d6f20a8d97901ec4f4fd90ce2f986bc [0,3,0,0,0,0|1,0,0]=4 26555 B12R0.248 COCCCCOCCC(=O)OC 6178a26edf97ddd6d174b7671988efc2 [0,3,0,0,0,0|0,0,1]=4 26556 B12R0.248 COCCCCOCCC(C)OC 9e8e73688f13d84cab081cc03f75a132 [0,3,0,0,0,0|0,0,0]=3 26557 B12R0.248 COCCCCOCCN(C)C#N 956779f67d9bef868b55f790955c4d21 [0,3,0,0,0,0|1,0,0]=4 26558 B12R0.248 COCCCCOCCN(C)C=O c410e399b8e6a8718a87bfd4670dde55 [0,3,0,0,0,0|1,0,0]=4 26559 B12R0.248 COCCCNCCCC(C)CO de1054b17a61f31d03fed39ea618c165 [0,3,0,0,0,0|1,0,0]=4 26560 B12R0.248 COCCCOCCCC(=O)OC f2bad4807d9478dd3c2bac6ff9bf8583 [0,3,0,0,0,0|0,0,1]=4 26561 B12R0.248 COCCCOCCOC(C)C#N d882ac65c3370080478e3b217d3f211b [0,3,0,0,0,0|1,0,0]=4 26562 B12R0.248 COCCOCCCCC(=O)OC f3189c3c74aa0f1aaee5c15977b5fb2f [0,3,0,0,0,0|1,0,0]=4 26563 B12R0.248 COCCOCCCNC(C)C#N f2503e0820c8b95e937f96a021b0d965 [0,3,0,0,0,0|1,0,0]=4 26564 B12R0.248 COCCOCCCNC(C)C=O 72ebbcd8d9c42d93a984820ef2363acb [0,3,0,0,0,0|1,0,0]=4 26565 B12R0.248 COCCOCCCNC(C)CO 97515660e9b214bb6a20a3dcb85dd8cd [0,3,0,0,0,0|1,0,0]=4 26566 B12R0.248 COCCOCCCN[C@@H](C)CO 0e39f84fc0d09cc4fe2e010935ed3b27 [0,3,0,0,0,0|1,0,0]=4 26567 B12R0.248 COCCOCCCN[C@H](C)C=O f76b007dbb8a68a4cfaa449403d85130 [0,3,0,0,0,0|1,0,0]=4 26568 B12R0.248 COCCOCCCN[C@H](C)CO 08328a93ac63b7fd289986f0f382aced [0,3,0,0,0,0|1,0,0]=4 26569 B12R0.248 COCCOCCCOC(C)C#N e6a527f68fb4e2d51a5f11f0a344b10e [0,3,0,0,0,0|1,0,0]=4 26570 B12R0.248 COCCOCCCOC(C)C=O 0d152a39f6245f8d1677d07798f3ac17 [0,3,0,0,0,0|1,0,0]=4 26571 B12R0.248 COCCOCCCOC(C)CF 486ae3e47a6c0ced7d65cd480d094929 [0,3,0,0,0,0|1,0,0]=4 26572 B12R0.248 COCCOCCCOC(C)CS 8ac52cd06ca44caeddde440c56189bd4 [0,3,0,0,0,0|1,0,0]=4 26573 B12R0.248 COCCOCCCO[C@H](C)C=O 90d52333540c9f91e25a9db5dd56ae67 [0,3,0,0,0,0|1,0,0]=4 26574 B12R0.248 COCCOCCCO[C@H](C)CS 97a1b78fc223d63b3fd5f3f88057d8e1 [0,3,0,0,0,0|1,0,0]=4 26575 B12R0.248 COCCOCCNCC(Br)CBr c4af3cc0ad04676339f32025342e83ce [0,3,0,0,0,0|1,0,0]=4 26576 B12R0.248 COCCOCCNCC(C)C#N 9ce5c4b84844fb35fa4d2cb69f641f6a [0,3,0,0,0,0|1,0,0]=4 26577 B12R0.248 COCCOCCNCC(C)CO 5d9583db4283fb854a6b9b1e443e637d [0,3,0,0,0,0|1,0,0]=4 26578 B12R0.248 COCCOCCNCC(C)OC fe2e7c3231b514fc75ad40db4854f1fa [0,3,0,0,0,0|1,0,0]=4 26579 B12R0.248 COCCOCCNCC(F)CO 6ecaae8c627f1737c397799b25334409 [0,3,0,0,0,0|1,0,0]=4 26580 B12R0.248 COCCOCCNCC(O)CF c78ea7e2696f7806a5b0d048927dc2fd [0,3,0,0,0,0|1,0,0]=4 26581 B12R0.248 COCCOCCNCC(O)CO c0dce0e33db4c8cdd1bef1f519ab44b7 [0,3,0,0,0,0|1,0,0]=4 26582 B12R0.248 COCCOCCNC[C@@H](C)CO 834c7cf4153d5ee334f1de2b807805a0 [0,3,0,0,0,0|1,0,0]=4 26583 B12R0.248 COCCOCCNC[C@@H](C)OC faa49f773d2a05390781701ff938fc39 [0,3,0,0,0,0|1,0,0]=4 26584 B12R0.248 COCCOCCNC[C@@H](F)CO 42798ac2911c89ea7d2782ae5c0c6962 [0,3,0,0,0,0|1,0,0]=4 26585 B12R0.248 COCCOCCNC[C@@H](O)CO a0093a8091a8dabde4a0e281ba1e9864 [0,3,0,0,0,0|1,0,0]=4 26586 B12R0.248 COCCOCCNC[C@H](C)CO 655562662ad6e8ed7ba341eaf432f201 [0,3,0,0,0,0|1,0,0]=4 26587 B12R0.248 COCCOCCNC[C@H](C)OC 169a4f4c314bf879ec72fed7fed33321 [0,3,0,0,0,0|1,0,0]=4 26588 B12R0.248 COCCOCCNC[C@H](F)CO 53692661696608aaf380fc994c9a6722 [0,3,0,0,0,0|1,0,0]=4 26589 B12R0.248 COCCOCCNC[C@H](O)CO 94f08241b9f787565413a853b28a962f [0,3,0,0,0,0|1,0,0]=4 26590 B12R0.248 COCCOCCOCC(Br)CBr ba770eac14bc6b1813f8d20ceebe8088 [0,3,0,0,0,0|1,0,0]=4 26591 B12R0.248 COCCOCCOCC(C)C#N b44710ec5312adef32eb94747a902624 [0,3,0,0,0,0|1,0,0]=4 26592 B12R0.248 COCCOCCOCC(C)OC d340f95e9d28ace250610326988bec6c [0,3,0,0,0,0|1,0,0]=4 26593 B12R0.248 COCCOCCOCC(Cl)CCl 305683d08ba86fac0e3748fcbee87cc6 [0,3,0,0,0,0|1,0,0]=4 26594 B12R0.248 COCCOCCOCC(O)CO 8e86670cf226b7fb8ff456e44190dd86 [0,3,0,0,0,0|1,0,0]=4 26595 B12R0.248 COCCOCCOCC(S)CS ea610b5c9bfff927d521c2d5f2575d0c [0,3,0,0,0,0|1,0,0]=4 26596 B12R0.248 COCCOCCOC[C@@H](C)OC 4f7a601e97d5b3f870175608de9be20f [0,3,0,0,0,0|1,0,0]=4 26597 B12R0.248 COCCOCCOC[C@@H](O)CO 3d2ae4b330ffe2de83067e8fada6ac7c [0,3,0,0,0,0|1,0,0]=4 26598 B12R0.248 COCCOCCOC[C@H](C)OC a555e04589dae39f12f8b95ac18dde2d [0,3,0,0,0,0|1,0,0]=4 26599 B12R0.248 COCCOCCOC[C@H](O)CO 332e51fe01272c243306c68292a47e42 [0,3,0,0,0,0|1,0,0]=4 26600 B12R0.248 COCCOCNCCC(C)CO 38a72c2b5c19deb3fb8736187d03d54a [0,3,0,0,0,0|1,0,0]=4 26601 B12R0.248 COCCOCNCCC(O)CO fd6f4a6b754e049cf078b23f31eb0dc1 [0,3,0,0,0,0|1,0,0]=4 26602 B12R0.248 COCCOCNCC[C@@H](C)CO 1e1c91d17bac9eb130f46447bef368cd [0,3,0,0,0,0|1,0,0]=4 26603 B12R0.248 COCCOCOCCC(C)OC 5495c0cd451bd0f7d54dcbf96f360590 [0,3,0,0,0,0|1,0,0]=4 26604 B12R0.248 COCOCCOCCC(C)OC d8623de6ee89d8d8fcc0071ca7e44d23 [0,3,0,0,0,0|1,0,0]=4 26605 B12R0.248 CO[C@@H](C)CNCCOCCCO 67e14240ef48e04feeaafcb33fc64058 [0,3,0,0,0,0|1,0,0]=4 26606 B12R0.248 CO[C@@H](C)COCCCCCC#N 2877f951cbac51dfcf37da3f3430b5b5 [0,3,0,0,0,0|1,0,0]=4 26607 B12R0.248 CO[C@@H](C)COCCCCCC=O ed15e6ca0a5e74c1621b70be7e88e9c8 [0,3,0,0,0,0|1,0,0]=4 26608 B12R0.248 CO[C@@H](C)COCCCCCCF 82bafbd3ff9eb8d695d7c2fd3de52ecb [0,3,0,0,0,0|1,0,0]=4 26609 B12R0.248 CO[C@@H](C)COCCCCCCS 382470c64b33277bfaaa7833baf52f58 [0,3,0,0,0,0|1,0,0]=4 26610 B12R0.248 CO[C@H](C)CNCCOCCCO d6c3cba37980276a71eb2833ee5f15b1 [0,3,0,0,0,0|1,0,0]=4 26611 B12R0.248 CO[C@H](C)COCCCCCC#N ba1bd031f2d9096ebb22d123fc10a34e [0,3,0,0,0,0|1,0,0]=4 26612 B12R0.248 CO[C@H](C)COCCCCCC=O 1fb0b3d7f5d684e56ff14242f82e52e4 [0,3,0,0,0,0|1,0,0]=4 26613 B12R0.248 CO[C@H](C)COCCCCCCF 90dca1017627af19c17232da26073f28 [0,3,0,0,0,0|1,0,0]=4 26614 B12R0.248 CO[C@H](C)COCCCCCCS e214db6a12acc017758197574ae82141 [0,3,0,0,0,0|1,0,0]=4 26615 B12R0.248 CSCCCCNCCC(C)CO 1e9af43c75570d49d2a9f7e9c271a6f5 [0,3,0,0,0,0|1,0,0]=4 26616 B12R0.248 CSCCCNCCCC(C)CO d43c7e73f8fea53ab589098f7b69cfb7 [0,3,0,0,0,0|1,0,0]=4 26617 B12R0.248 CSCCCOCCOC(C)C#N 1f312afe108c822178a5f27538ffbb8d [0,3,0,0,0,0|1,0,0]=4 26618 B12R0.248 CSCCOCCCNC(C)C#N 109c7f47a2d7bef03da18abcd443f9e4 [0,3,0,0,0,0|1,0,0]=4 26619 B12R0.248 CSCCOCCCNC(C)C=O 69dc55eb2a934145b449f6613ef995e2 [0,3,0,0,0,0|1,0,0]=4 26620 B12R0.248 CSCCOCCCNC(C)CO cd1e3a326aa360916892a224c59835b1 [0,3,0,0,0,0|1,0,0]=4 26621 B12R0.248 CSCCOCCCN[C@@H](C)CO 735f6dd97124dec52945464518866c8e [0,3,0,0,0,0|1,0,0]=4 26622 B12R0.248 CSCCOCCCN[C@H](C)C=O dd7ccc17df03cf9c00225bbce590328c [0,3,0,0,0,0|1,0,0]=4 26623 B12R0.248 CSCCOCCCN[C@H](C)CO d0eb395fd5f6c394db8a2c78cbe650d7 [0,3,0,0,0,0|1,0,0]=4 26624 B12R0.248 C[C@@H](CO)CCNCCCCCF 302e70a7805805e9aa4f1e7985401e6b [0,3,0,0,0,0|1,0,0]=4 26625 B12R0.248 C[C@@H](CO)CCNCCCCCO 73592a4dd52abad573aa02e4d665bfa9 [0,3,0,0,0,0|1,0,0]=4 26626 B12R0.248 C[C@@H](CO)CNCCOCCCO 778fa508f4268cab022b139935f75ca1 [0,3,0,0,0,0|1,0,0]=4 26627 B12R0.248 C[C@@H](CO)NCCCOCCCO a526684f8a1e6b3efc5cc72753c24bdf [0,3,0,0,0,0|1,0,0]=4 26628 B12R0.248 C[C@H](C=O)NCCCOCCCO 79387bc0fa088b67d2e360b30a55c1c9 [0,3,0,0,0,0|1,0,0]=4 26629 B12R0.248 C[C@H](CO)CNCCOCCCO 560a5f5381370a946033ddbc31b366e9 [0,3,0,0,0,0|1,0,0]=4 26630 B12R0.248 C[C@H](CO)NCCCOCCCO cb2cea0b0cc7419cc80b17f22b511ef9 [0,3,0,0,0,0|1,0,0]=4 26631 B12R0.248 FCCCCCCOCC(Br)CBr 0dcb026a9507f12b2930047cd23e65aa [0,3,0,0,0,0|1,0,0]=4 26632 B12R0.248 FCCCCCCOCC(Cl)CCl 833a503ee678ccc838aeee6254a359b7 [0,3,0,0,0,0|1,0,0]=4 26633 B12R0.248 FCCCCCCOCC(S)CS 94253922632c56feadd22513093b73d7 [0,3,0,0,0,0|1,0,0]=4 26634 B12R0.248 N#CCCCCCOCC(Br)CBr cb997ece2cca2cad7463b13f38c99363 [0,3,0,0,0,0|1,0,0]=4 26635 B12R0.248 N#CCCCCCOCC(Cl)CCl 8840663f60c147abbaa547f7ceb8dd34 [0,3,0,0,0,0|1,0,0]=4 26636 B12R0.248 N#CCCCCCOCC(O)CO d22a393ab13796b059e4269a0108dc62 [0,3,0,0,0,0|1,0,0]=4 26637 B12R0.248 N#CCCCCCOCC(S)CS e13c4f972152f4480dbbd35f1c0229f3 [0,3,0,0,0,0|1,0,0]=4 26638 B12R0.248 N#CCCCCCOC[C@@H](O)CO aa513a0cdd8a494287241df5795f3f6d [0,3,0,0,0,0|1,0,0]=4 26639 B12R0.248 N#CCCCCCOC[C@H](O)CO 99c7833f1bd774f988e47f53cccd6fbb [0,3,0,0,0,0|1,0,0]=4 26640 B12R0.248 O=CCCCCCOCC(Br)CBr be83165b3f1eea6f2ac2dac0bddcf4ef [0,3,0,0,0,0|1,0,0]=4 26641 B12R0.248 O=CCCCCCOCC(Cl)CCl aff7dec8e9031186fa81b6e1f09c06cd [0,3,0,0,0,0|1,0,0]=4 26642 B12R0.248 O=CCCCCCOCC(S)CS 27c872ffe53de0c6fda444935871aab7 [0,3,0,0,0,0|1,0,0]=4 26643 B12R0.248 OCC(O)CCNCCCCCF ee5689f45171ef652a7d68d839c00d3a [0,3,0,0,0,0|1,0,0]=4 26644 B12R0.248 OCC(O)COCCCCCCF 6d15f7a58ecd68e7ca948e7725353622 [0,3,0,0,0,0|1,0,0]=4 26645 B12R0.248 OCC(O)COCCCCCCS d0699ffd5c3656f2414854e21deba53d [0,3,0,0,0,0|1,0,0]=4 26646 B12R0.248 OCCCCCNCCC(O)CO 36fc0410f51ee1d6c4c9e0f5287ecd4b [0,3,0,0,0,0|1,0,0]=4 26647 B12R0.248 OCCCOCCNCC(O)CF b476d41a38be7fd246a9e1346421a387 [0,3,0,0,0,0|1,0,0]=4 26648 B12R0.248 OCCCOCCNCC(O)CO 13485e4d00bd79cecaf3063e653cd582 [0,3,0,0,0,0|1,0,0]=4 26649 B12R0.248 OCCCOCCNC[C@@H](O)CO aab30ee0d90d8618969e0e2e0f776f2b [0,3,0,0,0,0|1,0,0]=4 26650 B12R0.248 OCCCOCCNC[C@H](O)CO ac8662c05abee524163b2058a58facbe [0,3,0,0,0,0|1,0,0]=4 26651 B12R0.248 OC[C@@H](O)COCCCCCCF 57d37a4c2846980dd2576da18b7a327d [0,3,0,0,0,0|1,0,0]=4 26652 B12R0.248 OC[C@@H](O)COCCCCCCS 9bd8d564ae0b4c4072967dca1e8266f3 [0,3,0,0,0,0|1,0,0]=4 26653 B12R0.248 OC[C@H](O)COCCCCCCF 99a4a76a43702198d067e0756ba3545b [0,3,0,0,0,0|1,0,0]=4 26654 B12R0.248 OC[C@H](O)COCCCCCCS a5c5e1d9fceedd4b0cdbc87aeff1f727 [0,3,0,0,0,0|1,0,0]=4 26655 B12R0.251 C#CCCCCOCC(C)C(C)C 949fb5ff1a9494fc268f37f8ae7aa0b6 [0,3,0,0,0,0|0,0,1]=4 26656 B12R0.251 C#CCCCOCCC(C)C(C)C f507e288b0eb2c54874331a091c35ece [0,3,0,0,0,0|0,0,1]=4 26657 B12R0.251 C/C=C/CCCOCC(C)C(C)C 7aded1c6b958e90717fd1cf1d38b0bf8 [0,3,0,0,0,0|0,0,1]=4 26658 B12R0.251 C/C=C\CCCOCC(C)C(C)C 27f37055c4d932b49acba10021a0efe1 [0,3,0,0,0,0|0,0,1]=4 26659 B12R0.251 C=CCCCCOCC(C)C(C)C ff8a21ef0ac0564cdd62f8e7580cfb47 [0,3,0,0,0,0|0,0,1]=4 26660 B12R0.251 C=CCCCOCCC(C)C(C)C 9b528e6414c5009b982ca4ea92afaf96 [0,3,0,0,0,0|0,0,1]=4 26661 B12R0.251 CC#CCCCOCC(C)C(C)C d002710ce64a0887b73713764ff49198 [0,3,0,0,0,0|0,0,1]=4 26662 B12R0.251 CC(=O)C(C)CCOCCCCF bdd71cde5a577a7af575734a5a3f48f7 [0,3,0,0,0,0|0,0,1]=4 26663 B12R0.251 CC(=O)C(C)COCCCCCF a6789be472185e06cacbedb8e1f533e6 [0,3,0,0,0,0|0,0,1]=4 26664 B12R0.251 CC(C)C(C)CCOCCCC#N 0dc0060032c0b58066d548495458226b [0,3,0,0,0,0|0,0,1]=4 26665 B12R0.251 CC(C)C(C)CCOCCCC=O 7f546664bac22ed7fb4ac9b6a9262971 [0,3,0,0,0,0|0,0,1]=4 26666 B12R0.251 CC(C)C(C)CCOCCCCF d75a4093b941f2d3bd65bb8e7f8ed5b8 [0,3,0,0,0,0|0,0,0]=3 26667 B12R0.251 CC(C)C(C)CNCCCCCCl c0c6a4c9f3d6939c5713e16ed5979ae8 [0,3,0,0,0,0|1,0,0]=4 26668 B12R0.251 CC(C)C(C)CNCCCCCO fd8d1214bae8582a8026ba797a505f4b [0,3,0,0,0,0|1,0,0]=4 26669 B12R0.251 CC(C)C(C)COCCCCC#N b01c3f82bcccfc69194aee272e4328ad [0,3,0,0,0,0|0,0,1]=4 26670 B12R0.251 CC(C)C(C)COCCCCC=O d772130ff75e31c366cd0057d8d97310 [0,3,0,0,0,0|0,0,1]=4 26671 B12R0.251 CC(C)C(C)COCCCCCF 27bff9b5a0debc86a7b093cef5243961 [0,3,0,0,0,0|0,0,0]=3 26672 B12R0.251 CC(C)C(C)COCCOCCF 2cc53048678df20584c4cbe7b7f439e1 [0,3,0,0,0,0|1,0,0]=4 26673 B12R0.251 CC(C)C(C)COCCOCCS 4382ae4a3d74326dcd3ca5ee69a52964 [0,3,0,0,0,0|1,0,0]=4 26674 B12R0.251 CC(C)C(C)NCCOCCCO 76c8109fae51d4a35303f5dd507a8c6e [0,3,0,0,0,0|1,0,0]=4 26675 B12R0.251 CC(C)C(O)CNCCCCCF 93cfe30a7c57594466f42b31cce5526d [0,3,0,0,0,0|1,0,0]=4 26676 B12R0.251 CC(C)C(O)CNCCCCCO 06148a8173d86b051da0f702a521c742 [0,3,0,0,0,0|1,0,0]=4 26677 B12R0.251 CC(C)N(C)CCCOCCCO ecccb1e0b7d8138a2d3dab338652b7f3 [0,3,0,0,0,0|1,0,0]=4 26678 B12R0.251 CC(CCCOCCCF)C(=O)O 1528cea03b13c62e18d806dba2bfe8e9 [0,3,0,0,0,0|1,0,0]=4 26679 B12R0.251 CC(CCCOCCCS)C(=O)O e2f9cc9558916e3b6fb71afc1a5f8c54 [0,3,0,0,0,0|1,0,0]=4 26680 B12R0.251 CC(CCOCCCCF)N(C)C aee18495519ae23f48df4d37083a728b [0,3,0,0,0,0|1,0,0]=4 26681 B12R0.251 CC(COCCCCCF)N(C)C 714ebff4ea853b50aa3b0031672b256d [0,3,0,0,0,0|1,0,0]=4 26682 B12R0.251 CC/C=C/CCOCC(C)C(C)C 6de983d03ca64bfb4b72d00b35077458 [0,3,0,0,0,0|0,0,1]=4 26683 B12R0.251 CC/C=C/COCCC(C)C(C)C 434b7afe9fe6c8b7ae30e00dd48524b5 [0,3,0,0,0,0|0,0,1]=4 26684 B12R0.251 CC/C=C\CCOCC(C)C(C)C 7d25fd76cabf461bbf82f1e655c6d967 [0,3,0,0,0,0|0,0,1]=4 26685 B12R0.251 CC=CCCCOCC(C)C(C)C db37bf6f99e3bc7806953cb0941cd882 [0,3,0,0,0,0|0,0,1]=4 26686 B12R0.251 CCC#CCCOCC(C)C(C)C 6428d91bf543e7724719a6f528fa11af [0,3,0,0,0,0|0,0,1]=4 26687 B12R0.251 CCC#CCOCCC(C)C(C)C b88ab4e715b83680d8ffe8258ab1de0a [0,3,0,0,0,0|0,0,1]=4 26688 B12R0.251 CCC/C=C/COCC(C)C(C)C 3371f97421dc274b554845fe74a6c394 [0,3,0,0,0,0|0,0,1]=4 26689 B12R0.251 CCC/C=C\COCC(C)C(C)C 6f4ea36fff7e0a3eee63dbf3c954258d [0,3,0,0,0,0|0,0,1]=4 26690 B12R0.251 CCCC#CCOCC(C)C(C)C a62cf33cb8d8841538c075c329f49b2f [0,3,0,0,0,0|0,0,1]=4 26691 B12R0.251 CCCCCCCCN(C)C(C)C d8440348b6c16d98ead35cb09dc500d4 [0,3,0,0,0,0|1,0,0]=4 26692 B12R0.251 CCCCCCCNC(C)C(C)C 4c495bf769af9c3ffa486ed9eeeff284 [0,3,0,0,0,0|1,0,0]=4 26693 B12R0.251 CCCCCCCNC(C)C(C)O 064a8d272b8c435de1a1b82a1be5422f [0,3,0,0,0,0|1,0,0]=4 26694 B12R0.251 CCCCCCCN[C@@H](C)C(C)C f2cc94dfd0f61d78e03ef678ba2923e1 [0,3,0,0,0,0|1,0,0]=4 26695 B12R0.251 CCCCCCCN[C@H](C)C(C)C 3a0645234faac2b27e1f0baa46bd9c35 [0,3,0,0,0,0|1,0,0]=4 26696 B12R0.251 CCCCCCCOC(C)C(C)C f56093260fe2082792350d5b526fedbd [0,3,0,0,0,0|1,0,0]=4 26697 B12R0.251 CCCCCCCOC(C)C(C)S 5a6cd081d3492eae231dd35433bd9f68 [0,3,0,0,0,0|1,0,0]=4 26698 B12R0.251 CCCCCCCO[C@@H](C)C(C)C 0eaa67cb3e422ac392fabdca9b303242 [0,3,0,0,0,0|1,0,0]=4 26699 B12R0.251 CCCCCCCO[C@H](C)C(C)C 1e216ee3475a01a3b38e7015e38bc257 [0,3,0,0,0,0|1,0,0]=4 26700 B12R0.251 CCCCCCNCC(C)C(C)C aee92e2a9ba99526dc033bfad661f0a1 [0,3,0,0,0,0|1,0,0]=4 26701 B12R0.251 CCCCCCNCC(O)C(C)C 546d3115f49e463503107a5e63232481 [0,3,0,0,0,0|1,0,0]=4 26702 B12R0.251 CCCCCCOCC(=O)C(C)C 97073a309b33a8ba572416aeaf543c56 [0,3,0,0,0,0|0,0,1]=4 26703 B12R0.251 CCCCCCOCC(C)C(=O)C d67c2e4c5e2f810ce2b6051bcc118d4e [0,3,0,0,0,0|0,0,1]=4 26704 B12R0.251 CCCCCCOCC(C)C(C)C 046d370afaef8cf0188c4ba52df8d69a [0,3,0,0,0,0|0,0,0]=3 26705 B12R0.251 CCCCCCOCC(C)N(C)C fae5aab87915ed0bc252e2fa0d9417ca [0,3,0,0,0,0|1,0,0]=4 26706 B12R0.251 CCCCCCOC[C@@H](C)N(C)C 0389db3680091172b82e64f2dd27e4d2 [0,3,0,0,0,0|1,0,0]=4 26707 B12R0.251 CCCCCCOC[C@H](C)N(C)C 7083e06b1b3ed4d29dd4e3e21fa7f148 [0,3,0,0,0,0|1,0,0]=4 26708 B12R0.251 CCCCCNCCC(C)N(C)C 06ddb964f37d681a6601fc26a6190b6a [0,3,0,0,0,0|1,0,0]=4 26709 B12R0.251 CCCCCNCCN(C)C(C)C 7b53964cc5c4e5a5b798b32455d937f1 [0,3,0,0,0,0|1,0,0]=4 26710 B12R0.251 CCCCCNCC[C@@H](C)N(C)C d434adde9bb0392c51dd41a95c969f1d [0,3,0,0,0,0|1,0,0]=4 26711 B12R0.251 CCCCCNCC[C@H](C)N(C)C 10a43ac7c7948b4233d4ca5ba1723f9c [0,3,0,0,0,0|1,0,0]=4 26712 B12R0.251 CCCCCOCCC(=O)N(C)C 4837486756dd668f6e62598048b12f5f [0,3,0,0,0,0|0,0,1]=4 26713 B12R0.251 CCCCCOCCC(C)C(C)C 00431e72c75a0d8876e2d3f3cdb1326d [0,3,0,0,0,0|0,0,0]=3 26714 B12R0.251 CCCCCOCCC(C)N(C)C 235df2af1be6015c35ff9f98465cad1a [0,3,0,0,0,0|0,0,0]=3 26715 B12R0.251 CCCCCOCCN(C)C(=O)C bda396d3cf42965051672143b315d6d3 [0,3,0,0,0,0|0,0,1]=4 26716 B12R0.251 CCCCCOCNC(=O)C(C)C 38876b42e9eed0e7641e12025bc5e8be [0,3,0,0,0,0|0,0,1]=4 26717 B12R0.251 CCCCCOCOC(=O)C(C)C 88eacd4e794cc4834db48468b65a2782 [0,3,0,0,0,0|0,0,1]=4 26718 B12R0.251 CCCCNCCCC(C)C(=O)O eac345f993a3ba654bf1d71fa4b1b602 [0,3,0,0,0,0|1,0,0]=4 26719 B12R0.251 CCCCOCCCC(=O)N(C)C 09e541dadc92b0818d9a71b2dee81b2c [0,3,0,0,0,0|0,0,1]=4 26720 B12R0.251 CCCCOCCCC(C)C(=O)O 7eceac3dec75b314e685f395f8f104b7 [0,3,0,0,0,0|0,0,0]=3 26721 B12R0.251 CCCCOCCNC(=O)C(C)F e910e35a1f32c14c562051f9c3072a1b [0,3,0,0,0,0|0,0,1]=4 26722 B12R0.251 CCCCOCCNC(=O)C(C)O d95de97de7294770124c86bf4fc83f38 [0,3,0,0,0,0|0,0,1]=4 26723 B12R0.251 CCCCOCCNC(=O)C(C)S 07b85f1e3992fdd2fbaa67e72cc58e6b [0,3,0,0,0,0|0,0,1]=4 26724 B12R0.251 CCCCOCCNC(=O)[C@@H](C)F 5e95818c1b8af072d1f7ea6bbddddd93 [0,3,0,0,0,0|0,0,1]=4 26725 B12R0.251 CCCCOCCNC(=O)[C@@H](C)O 063fec4da88544ce5417136659715313 [0,3,0,0,0,0|0,0,1]=4 26726 B12R0.251 CCCCOCCNC(=O)[C@H](C)F 6f91ed657235a217ebc998c25d8cd1bb [0,3,0,0,0,0|0,0,1]=4 26727 B12R0.251 CCCCOCCNC(=O)[C@H](C)O 4a617f6cef5c9ccbb0d901402733f592 [0,3,0,0,0,0|0,0,1]=4 26728 B12R0.251 CCCCOCCNC(C)C(=O)C fe2b5834272873f0fb04e724d213912a [0,3,0,0,0,0|0,0,1]=4 26729 B12R0.251 CCCCOCCNC(C)C(=O)N 029216a5038786ae1aed7ed8e0f78218 [0,3,0,0,0,0|1,0,0]=4 26730 B12R0.251 CCCCOCCNC(C)C(=O)O bf706f82d0bb630c9abc711783057ac9 [0,3,0,0,0,0|1,0,0]=4 26731 B12R0.251 CCCCOCCNC(C)C(C)C 543b1d0875dac9be774cb126b4b7dca2 [0,3,0,0,0,0|0,0,0]=3 26732 B12R0.251 CCCCOCCNC(C)C(C)O 5a1d39cf65c7cb563edf343ed4671173 [0,3,0,0,0,0|0,0,0]=3 26733 B12R0.251 CCCCOCCN[C@@H](C)C(=O)N a44d2ce377bf4781922c70efc093b816 [0,3,0,0,0,0|1,0,0]=4 26734 B12R0.251 CCCCOCCN[C@@H](C)C(=O)O f77403e313a46445cbd35bf7480b4ff5 [0,3,0,0,0,0|1,0,0]=4 26735 B12R0.251 CCCCOCCN[C@@H](C)C(C)C 06dd917b173c5eb59424e71701ebe8f4 [0,3,0,0,0,0|0,0,0]=3 26736 B12R0.251 CCCCOCCN[C@@H](C)C(F)F 0f69b7d085958e42de01e44a5e8f7c03 [0,3,0,0,0,0|1,0,0]=4 26737 B12R0.251 CCCCOCCN[C@H](C)C(=O)N b2a470c91e054ad9e44d15fdc3030209 [0,3,0,0,0,0|1,0,0]=4 26738 B12R0.251 CCCCOCCN[C@H](C)C(=O)O fda329fb155fe3b534def1642bbab490 [0,3,0,0,0,0|1,0,0]=4 26739 B12R0.251 CCCCOCCN[C@H](C)C(C)C 26967182ba73d627605c997300566b00 [0,3,0,0,0,0|0,0,0]=3 26740 B12R0.251 CCCCOCCN[C@H](C)C(F)F 5245f8c75c293e73071d85add00962fd [0,3,0,0,0,0|1,0,0]=4 26741 B12R0.251 CCCCOCCOC(=O)C(C)C bd4c977b9472e778eb948af52220ea80 [0,3,0,0,0,0|0,0,1]=4 26742 B12R0.251 CCCCOCCOC(C)C(=O)C 04380dbd31a93e2839360bf1cd781d9b [0,3,0,0,0,0|0,0,1]=4 26743 B12R0.251 CCCCOCCOC(C)C(=O)N c8f068b2d17ba3ec148512438aa27927 [0,3,0,0,0,0|1,0,0]=4 26744 B12R0.251 CCCCOCCOC(C)C(=O)O 0319b5416f9a70c5be1edae7b0505637 [0,3,0,0,0,0|1,0,0]=4 26745 B12R0.251 CCCCOCCOC(C)C(C)C e5e90bae8a9bf240c334de764612a33f [0,3,0,0,0,0|0,0,0]=3 26746 B12R0.251 CCCCOCCOC(C)C(C)S 183d5efc1808cc442a285cc85f2c628b [0,3,0,0,0,0|0,0,0]=3 26747 B12R0.251 CCCCOCCOC(C)C(F)F bb764e23fa8397a6f21988692583efa2 [0,3,0,0,0,0|1,0,0]=4 26748 B12R0.251 CCCCOCCO[C@@H](C)C(=O)N df596ea6528c8a862cc14e39338a2ed6 [0,3,0,0,0,0|1,0,0]=4 26749 B12R0.251 CCCCOCCO[C@@H](C)C(=O)O c42dc20985eb738d2680ab2d6be54db6 [0,3,0,0,0,0|1,0,0]=4 26750 B12R0.251 CCCCOCCO[C@@H](C)C(C)C ef8a07ff6fbf8c3b5b2b16457464a7fa [0,3,0,0,0,0|0,0,0]=3 26751 B12R0.251 CCCCOCCO[C@H](C)C(=O)N 1d7dca1b1e0aa79e1ae1dd0b73508aa6 [0,3,0,0,0,0|1,0,0]=4 26752 B12R0.251 CCCCOCCO[C@H](C)C(=O)O 9f92e4046edc3f95da014b4ed0f95480 [0,3,0,0,0,0|1,0,0]=4 26753 B12R0.251 CCCCOCCO[C@H](C)C(C)C d16006a6460161a9f8bcd21738f9cdd7 [0,3,0,0,0,0|0,0,0]=3 26754 B12R0.251 CCCCOCNCC(C)C(=O)O 4f1593f76fb936c406f95dd868200ca8 [0,3,0,0,0,0|1,0,0]=4 26755 B12R0.251 CCCCOCNCC(C)N(C)C c965606f49b4e165d35efbec391f5aae [0,3,0,0,0,0|1,0,0]=4 26756 B12R0.251 CCCCOCNCC(O)C(C)C 0e00abfda77931d4c184794c09302bb3 [0,3,0,0,0,0|0,0,0]=3 26757 B12R0.251 CCCCOCNCC(O)C(F)F 5afd3eb6c9009d238d662f3d83709bee [0,3,0,0,0,0|1,0,0]=4 26758 B12R0.251 CCCCOCNC[C@@H](C)C(=O)O 35a848cd1fac00262cb15aa3a2f047cc [0,3,0,0,0,0|1,0,0]=4 26759 B12R0.251 CCCCOCNC[C@H](C)C(=O)O 2f3d25f39d1e50294f5852a6017cab6c [0,3,0,0,0,0|1,0,0]=4 26760 B12R0.251 CCCCOCOCC(C)C(=O)C fd8b75818b43c450dc85c9b9f5f54d4a [0,3,0,0,0,0|0,0,1]=4 26761 B12R0.251 CCCCOCOCC(C)C(=O)O 0229a922d961ac86c1e6c0265e7681ee [0,3,0,0,0,0|1,0,0]=4 26762 B12R0.251 CCCCOCOCC(C)C(C)C 394d4916fbe3223eb1389f24570e9607 [0,3,0,0,0,0|0,0,0]=3 26763 B12R0.251 CCCCOCOCC(C)N(C)C ea4bb34f60ed2e3349e9fb95b4ff7392 [0,3,0,0,0,0|1,0,0]=4 26764 B12R0.251 CCCCOCOCC(C)[N+](=O)[O-] 2b48cdfd7a8f959125c5295ee522e1e7 [0,3,0,0,0,0|1,0,0]=4 26765 B12R0.251 CCCCOCOC[C@@H](C)C(=O)O caf194705fe565db10d766d3268da934 [0,3,0,0,0,0|1,0,0]=4 26766 B12R0.251 CCCCOCOC[C@@H](C)N(C)C af52c7e782a862db9ebeeacbbe58728d [0,3,0,0,0,0|1,0,0]=4 26767 B12R0.251 CCCCOCOC[C@H](C)C(=O)O ef5a169ef70f156f336f084766ed5b27 [0,3,0,0,0,0|1,0,0]=4 26768 B12R0.251 CCCCOCOC[C@H](C)N(C)C 351c671bb1db25eb5a46aabf4608d5f0 [0,3,0,0,0,0|1,0,0]=4 26769 B12R0.251 CCCCSCCOC(C)C(C)C 68ab9c49f65ffa3468a2462f22451358 [0,3,0,0,0,0|0,1,0]=4 26770 B12R0.251 CCCOCCNCC(C)C(C)C 409293033c7d8c79df79ee8ba4220bf7 [0,3,0,0,0,0|1,0,0]=4 26771 B12R0.251 CCCOCCNCC(O)C(C)C b262ea2e49e27edf627f091997f1c229 [0,3,0,0,0,0|1,0,0]=4 26772 B12R0.251 CCCOCCOCC(=O)C(C)C 3b6c0dd9878201ba51b9c8b01954f22b [0,3,0,0,0,0|0,0,1]=4 26773 B12R0.251 CCCOCCOCC(C)C(=O)C aaf0588c3af77e874bc2df4607bf0990 [0,3,0,0,0,0|0,0,1]=4 26774 B12R0.251 CCCOCCOCC(C)C(C)C 6587b66a0d928a691736ba0647e7b305 [0,3,0,0,0,0|0,0,0]=3 26775 B12R0.251 CCCOCCOCC(C)N(C)C 9f628490906552c4e82a8d0c6033f15c [0,3,0,0,0,0|1,0,0]=4 26776 B12R0.251 CCCOCCOC[C@@H](C)N(C)C 61cd207a493a0d6159faee6b36a18bc6 [0,3,0,0,0,0|1,0,0]=4 26777 B12R0.251 CCCOCCOC[C@H](C)N(C)C 3731e62dff1e91db8b68373e7ddacc4e [0,3,0,0,0,0|1,0,0]=4 26778 B12R0.251 CCCSCCOCC(=O)C(C)C d90ee03ce6cf09fd2cc1b1042bef4034 [0,3,0,0,0,0|0,0,1]=4 26779 B12R0.251 CCCSCCOCC(C)C(C)C 51ffaf22e8b0cf08d3652202a3b8194a [0,3,0,0,0,0|0,0,0]=3 26780 B12R0.251 CCOCCCNCC(C)C(C)C fc018f608c1476ef18d04d2414f4ec56 [0,3,0,0,0,0|1,0,0]=4 26781 B12R0.251 CCOCCCNCC(O)C(C)C 591a30d945879db9beb7825b4fdeb7e4 [0,3,0,0,0,0|1,0,0]=4 26782 B12R0.251 CCOCCCOCC(=O)C(C)C 9bae9c78d4f52e07970650c4b84d57c9 [0,3,0,0,0,0|0,0,1]=4 26783 B12R0.251 CCOCCCOCC(C)C(=O)C fc1a5153481e16fb6ac0116fd3828127 [0,3,0,0,0,0|0,0,1]=4 26784 B12R0.251 CCOCCCOCC(C)C(C)C c0f55580a50886d89fac6343093dcc27 [0,3,0,0,0,0|0,0,0]=3 26785 B12R0.251 CCOCCCOCC(C)N(C)C 17d042d2f4d1de314ebd3fa1c6635544 [0,3,0,0,0,0|1,0,0]=4 26786 B12R0.251 CCOCCCOC[C@@H](C)N(C)C 20a4c6df502fa602d80055266ed568ff [0,3,0,0,0,0|1,0,0]=4 26787 B12R0.251 CCOCCCOC[C@H](C)N(C)C 506d439b08a20dd6e466d72475eda105 [0,3,0,0,0,0|1,0,0]=4 26788 B12R0.251 CCOCCOCCC(C)C(C)C 45383071777f3b523b26a38e3a0a5c1f [0,3,0,0,0,0|0,0,0]=3 26789 B12R0.251 CCOCCOCCC(C)N(C)C 0c61b8a2c233eb2b7de80be24986330d [0,3,0,0,0,0|1,0,0]=4 26790 B12R0.251 CCOCCOCCN(C)C(C)C 54abfbb3205a309bd42a5d1f877b08e2 [0,3,0,0,0,0|1,0,0]=4 26791 B12R0.251 CCSCCCNCC(O)C(C)C 06c6692e28229dc18899c17f3182fffa [0,3,0,0,0,0|1,0,0]=4 26792 B12R0.251 CCSCCCOCC(=O)C(C)C d5aace554fa894b08440ac3aaff7dc8e [0,3,0,0,0,0|0,0,1]=4 26793 B12R0.251 CCSCCCOCC(C)C(=O)C 996abc052f2817208fc76ba8b4f2fef1 [0,3,0,0,0,0|0,0,1]=4 26794 B12R0.251 CCSCCCOCC(C)C(C)C 8da4d41d274fbaf8a85153b00fe7f454 [0,3,0,0,0,0|0,0,0]=3 26795 B12R0.251 CCSCCCOCC(C)N(C)C 0b61a2f16645de9e54a893c3c224ca49 [0,3,0,0,0,0|1,0,0]=4 26796 B12R0.251 CCSCCCOC[C@@H](C)N(C)C 5a9630c3dc912d743b823b7b0f8e616e [0,3,0,0,0,0|1,0,0]=4 26797 B12R0.251 CCSCCCOC[C@H](C)N(C)C cb86e4ec0998629f1d5e875f4ef7e28f [0,3,0,0,0,0|1,0,0]=4 26798 B12R0.251 CCSCCOCCC(C)C(C)C 027223d8b24b6947446d2f1625792c7f [0,3,0,0,0,0|0,0,0]=3 26799 B12R0.251 CCSCCOCCC(C)N(C)C 78da22312075aae31edffd39a3dd83bc [0,3,0,0,0,0|1,0,0]=4 26800 B12R0.251 COCCCCNCC(C)C(C)C 564bc7176157095da058a5dce7b7ce32 [0,3,0,0,0,0|1,0,0]=4 26801 B12R0.251 COCCCCNCC(O)C(C)C a3fe3089c2d419d7f9ce1958aefd5236 [0,3,0,0,0,0|1,0,0]=4 26802 B12R0.251 COCCCCOCC(=O)C(C)C 8794f49525a157b86894dd82e625337c [0,3,0,0,0,0|0,0,1]=4 26803 B12R0.251 COCCCCOCC(C)C(=O)C f8c978308ebdacb411263b9fc1d5c579 [0,3,0,0,0,0|0,0,1]=4 26804 B12R0.251 COCCCCOCC(C)C(C)C 9c7d79a70dec573bf0b2332126eca920 [0,3,0,0,0,0|0,0,0]=3 26805 B12R0.251 COCCCCOCC(C)N(C)C 5824eaa9dc59d0979ee70bf89265da4e [0,3,0,0,0,0|1,0,0]=4 26806 B12R0.251 COCCCCOC[C@@H](C)N(C)C da821d5e0d5924f892b9b1b155fecd57 [0,3,0,0,0,0|1,0,0]=4 26807 B12R0.251 COCCCCOC[C@H](C)N(C)C f146ebecc0ae0851bd33c04e2edc80fb [0,3,0,0,0,0|1,0,0]=4 26808 B12R0.251 COCCCOCCC(C)C(C)C 27023ae1c9a392ac4bc6b662881a91d0 [0,3,0,0,0,0|0,0,0]=3 26809 B12R0.251 COCCCOCCC(C)N(C)C 20aa4502c60356efb212b5b8358f8017 [0,3,0,0,0,0|1,0,0]=4 26810 B12R0.251 COCCOCCCC(C)C(=O)O 317788692d749bc6da498e03dca7634a [0,3,0,0,0,0|1,0,0]=4 26811 B12R0.251 COCCOCCCN(C)C(C)C 10b43b3cc8b37553df11ce64fd343c0a [0,3,0,0,0,0|1,0,0]=4 26812 B12R0.251 COCCOCCNC(C)C(C)C 30093618ccec35759b666b2519ac78c8 [0,3,0,0,0,0|1,0,0]=4 26813 B12R0.251 COCCOCCNC(C)C(C)O a12a99eae00fbb0901d51882bbe73582 [0,3,0,0,0,0|1,0,0]=4 26814 B12R0.251 COCCOCCN[C@@H](C)C(C)C 39b91f5821dc623e1dd9d2927d7c6565 [0,3,0,0,0,0|1,0,0]=4 26815 B12R0.251 COCCOCCN[C@H](C)C(C)C 22cdd489d50d338bf8aa71b98f9b777f [0,3,0,0,0,0|1,0,0]=4 26816 B12R0.251 COCCOCCOC(C)C(C)C 87c92cf3a14723d878ed057f402da9e4 [0,3,0,0,0,0|1,0,0]=4 26817 B12R0.251 COCCOCCOC(C)C(C)S 9a84a354568ed2316e08d7ebfd7ab824 [0,3,0,0,0,0|1,0,0]=4 26818 B12R0.251 COCCOCCO[C@@H](C)C(C)C 9c280023d1a4e846551cd7be385b21a1 [0,3,0,0,0,0|1,0,0]=4 26819 B12R0.251 COCCOCCO[C@H](C)C(C)C b6ced5dfd0ac0023d5127a4436aa6d2c [0,3,0,0,0,0|1,0,0]=4 26820 B12R0.251 COCCOCNCC(O)C(C)C a3f38e6ecb7e03aad44f50f22640ffde [0,3,0,0,0,0|1,0,0]=4 26821 B12R0.251 COCCOCOCC(C)C(C)C a3bdaad9f5dc4492d57aef639ac55858 [0,3,0,0,0,0|1,0,0]=4 26822 B12R0.251 COCOCCOCC(C)C(C)C f2471aa7b9086f5fb4c212771c427ff0 [0,3,0,0,0,0|1,0,0]=4 26823 B12R0.251 CSCCCCNCC(C)C(C)C fdda3a3c6da7a5cf623fc6dda4e5e6c7 [0,3,0,0,0,0|1,0,0]=4 26824 B12R0.251 CSCCCCOCC(=O)C(C)C 07a00c83d49c45ff35747fd7410d488f [0,3,0,0,0,0|0,0,1]=4 26825 B12R0.251 CSCCCCOCC(C)C(C)C 3f9ffe23e4884476ae37fac1b3a6d617 [0,3,0,0,0,0|0,0,0]=3 26826 B12R0.251 CSCCCOCCC(C)C(C)C a530268b31c97e774bf5ed6a18df6373 [0,3,0,0,0,0|0,0,0]=3 26827 B12R0.251 CSCCCOCCC(C)N(C)C 4b15dbe78f77e231f73e5bf59fbca988 [0,3,0,0,0,0|1,0,0]=4 26828 B12R0.251 CSCCOCCCC(C)C(=O)O 0e9bcb772cc4127fc6ecae7deea78752 [0,3,0,0,0,0|1,0,0]=4 26829 B12R0.251 C[C@@H](COCCCCCF)N(C)C af7a9444c31d17b747932186912009ed [0,3,0,0,0,0|1,0,0]=4 26830 B12R0.251 C[C@H](COCCCCCF)N(C)C 21856388cd1a752db53a910fc9db17ec [0,3,0,0,0,0|1,0,0]=4 26831 B12R0.312 C#CC(C)(C)COCOCCCC 907e18103c5f161599ab0f6a7532b448 [0,3,0,0,0,0|1,0,0]=4 26832 B12R0.312 C#CC(C)(C)NCCOCCCC f74090c47c3c3fa4e4697afcabc0ae87 [0,3,0,0,0,0|1,0,0]=4 26833 B12R0.312 C#CCCCCOCC(F)(F)CC 3826726eaa6013736ca6ed1736aa2282 [0,3,0,0,0,0|0,0,1]=4 26834 B12R0.312 C#CCCCOCCC(C)(C)CC 2cfdd582577cfff216902e4536e6a3c9 [0,3,0,0,0,0|0,0,1]=4 26835 B12R0.312 C/C=C/CCOCCC(C)(C)CC 15feb3e334ee9a5279547a5b40643dec [0,3,0,0,0,0|0,0,1]=4 26836 B12R0.312 C/C=C\CCCOCC(F)(F)CC e624ce3ac9277ccf866ca16ee5733328 [0,3,0,0,0,0|0,0,1]=4 26837 B12R0.312 C=CC(C)(C)CCCNCCCC 5e0baaba6e671f15ea5be3b21334ba14 [0,3,0,0,0,0|1,0,0]=4 26838 B12R0.312 C=CC(C)(C)COCOCCCC b51c0c0e28ae54be2114b6fb4ced6d0b [0,3,0,0,0,0|1,0,0]=4 26839 B12R0.312 C=CCCCCOCC(F)(F)CC 1cf0f5edebc2f5c847e4ff80d5b0fe28 [0,3,0,0,0,0|0,0,1]=4 26840 B12R0.312 C=CCCCOCCC(C)(C)CC c4c23daa9755fdb53327b1ee18422a4c [0,3,0,0,0,0|0,0,1]=4 26841 B12R0.312 CC#CCCOCCC(C)(C)CC 441bf7289ec8a801d4bd2a8f6a666623 [0,3,0,0,0,0|0,0,1]=4 26842 B12R0.312 CC(C)(C#N)CCCOCCCF 915cf48730db01ac52b40b599ba14b38 [0,3,0,0,0,0|1,0,0]=4 26843 B12R0.312 CC(C)(C#N)CCCOCCCS 2e8b559fb8126725530313e75470117f [0,3,0,0,0,0|1,0,0]=4 26844 B12R0.312 CC(C)(C#N)CCOCCCCF cc5d45303f35469c20d2bddbad14e8b5 [0,3,0,0,0,0|1,0,0]=4 26845 B12R0.312 CC(C)(C=O)CCCOCCCF 546a3d8dd4e20c118e88ee3bc7370fc7 [0,3,0,0,0,0|1,0,0]=4 26846 B12R0.312 CC(C)(C=O)CCCOCCCS 8ecaceb3dd6b26c18ee10dacc8099af3 [0,3,0,0,0,0|1,0,0]=4 26847 B12R0.312 CC(C)(CF)COCCCCCF d4ec5ef3d213589897da5d89eff44aa1 [0,3,0,0,0,0|1,0,0]=4 26848 B12R0.312 CC/C=C/COCCC(C)(C)CC 9109053d659e426b5b35771d30fecc4d [0,3,0,0,0,0|0,0,1]=4 26849 B12R0.312 CC/C=C\CCOCC(F)(F)CC e39799b5bc92d00bf5e1753fe202de77 [0,3,0,0,0,0|0,0,1]=4 26850 B12R0.312 CC/C=C\COCCC(C)(C)CC 017448e58aeca7eb2b37980f33af03b2 [0,3,0,0,0,0|0,0,1]=4 26851 B12R0.312 CCC#CCOCCC(C)(C)CC 730b9282c2b98e410bdd976cb5c494e7 [0,3,0,0,0,0|0,0,1]=4 26852 B12R0.312 CCC(C)(C)CCNCCCCCl 6f8d8550756e8ee5f5cbddc4f45b2f0b [0,3,0,0,0,0|1,0,0]=4 26853 B12R0.312 CCC(C)(C)CCNCCCCO 440c9166821b69838cea348923fd6d27 [0,3,0,0,0,0|1,0,0]=4 26854 B12R0.312 CCC(C)(C)CCNCCCCS f86623592fa332ff77bc134e76439455 [0,3,0,0,0,0|1,0,0]=4 26855 B12R0.312 CCC(C)(C)CCNCCCOC e0ddfc6aeee4eb1ac53b597031195666 [0,3,0,0,0,0|1,0,0]=4 26856 B12R0.312 CCC(C)(C)CCNCCCSC a3f12433d4e9a90a4dea71ddd5c61101 [0,3,0,0,0,0|1,0,0]=4 26857 B12R0.312 CCC(C)(C)CCOCCCC#N 21500251b15e08db86d7cd5335e810fd [0,3,0,0,0,0|0,0,1]=4 26858 B12R0.312 CCC(C)(C)CCOCCCC=O 929c59cb7372cbb58f39b8cb7037263e [0,3,0,0,0,0|0,0,1]=4 26859 B12R0.312 CCC(C)(C)CCOCCCCF 1bb21202524dd92c30ccd7784248de07 [0,3,0,0,0,0|0,0,0]=3 26860 B12R0.312 CCC(C)(C)CCOCCCCS 6c77816676ec4d08ef889f44477e272e [0,3,0,0,0,0|0,0,0]=3 26861 B12R0.312 CCC(C)(C)CCOCCCOC e14cf8c82e7c3a20616986da9162752c [0,3,0,0,0,0|0,0,0]=3 26862 B12R0.312 CCC(C)(C)CCOCCCSC 27f58920f2e626b4286a5afd4697a950 [0,3,0,0,0,0|0,0,0]=3 26863 B12R0.312 CCC(C)(C)CNCCCCCF 2dc8ec40f4857c9bd495c85e88720b3f [0,3,0,0,0,0|1,0,0]=4 26864 B12R0.312 CCC(C)(C)CNCCCCCO f124fd72ea5a3dcdb5c28f4bd3a670af [0,3,0,0,0,0|1,0,0]=4 26865 B12R0.312 CCC(C)(C)CNCCCCOC d6af0661eae7dd6bfac17c2e8fb7eed3 [0,3,0,0,0,0|1,0,0]=4 26866 B12R0.312 CCC(C)(C)CNCOCCOC abecb5c75f091a798a204acfda36624c [0,3,0,0,0,0|1,0,0]=4 26867 B12R0.312 CCC(C)(C)NCCOCCOC 9771a818201f20654c390b67401ce13a [0,3,0,0,0,0|1,0,0]=4 26868 B12R0.312 CCC(C)(O)CNCCCCCF 4e483c58d10c22fc1aa2407a9a0181e6 [0,3,0,0,0,0|1,0,0]=4 26869 B12R0.312 CCC(C)(O)CNCCCCCO 0129cd1ac843cf546fe2f50600264e23 [0,3,0,0,0,0|1,0,0]=4 26870 B12R0.312 CCC(C)(O)CNCCCCOC c35badeab35f8053523de5562f3a2b7e [0,3,0,0,0,0|1,0,0]=4 26871 B12R0.312 CCC(C)(O)CNCOCCOC cd83d1150d65765ce716a365965d7840 [0,3,0,0,0,0|1,0,0]=4 26872 B12R0.312 CCC(F)(F)COCCCCC#N c19d746ee279f4f5168a2f966d61a7b0 [0,3,0,0,0,0|0,0,1]=4 26873 B12R0.312 CCC(F)(F)COCCCCC=O 2568b542741d14b1a295a5b7c6076f6c [0,3,0,0,0,0|0,0,1]=4 26874 B12R0.312 CCC(F)(F)COCCCCCF 4a4854db46bf9783aabde2bfd39749fb [0,3,0,0,0,0|0,0,0]=3 26875 B12R0.312 CCC(F)(F)COCCCCOC 9236ac9b523f123cd3fefe0ebeaddf7e [0,3,0,0,0,0|0,0,0]=3 26876 B12R0.312 CCC(F)(F)COCCOCOC e076ae3eaf34063058f9d426aa3e7382 [0,3,0,0,0,0|1,0,0]=4 26877 B12R0.312 CCC(F)(F)COCOCCOC 9439a483ac7e6b2cc4049d678bc8c956 [0,3,0,0,0,0|1,0,0]=4 26878 B12R0.312 CCC/C=C/COCC(F)(F)CC c04377e80748dd456c1f16af006cd514 [0,3,0,0,0,0|0,0,1]=4 26879 B12R0.312 CCC/C=C\COCC(F)(F)CC c28eac3f4fa6b175f5ab9bc4fb78c863 [0,3,0,0,0,0|0,0,1]=4 26880 B12R0.312 CCCCCCCNC(C)(C)CC ac603ab45b716a5ee372894dbd31eff2 [0,3,0,0,0,0|1,0,0]=4 26881 B12R0.312 CCCCCCNCC(C)(C)CC e17f830c644a03ee9102ebcb42e88399 [0,3,0,0,0,0|1,0,0]=4 26882 B12R0.312 CCCCCCNCC(C)(O)CC 21d1d859bca372369845f1134a50e0c2 [0,3,0,0,0,0|1,0,0]=4 26883 B12R0.312 CCCCCCOCC(C)(C)CF ae4b5b2d59fa125a340b1c15bc8e99a0 [0,3,0,0,0,0|1,0,0]=4 26884 B12R0.312 CCCCCCOCC(C)(C)OC ab5f238c777ea798fd6c608e681a3f93 [0,3,0,0,0,0|1,0,0]=4 26885 B12R0.312 CCCCCCOCC(F)(F)CC 365df43d1912a64be3a3a3bf57410abe [0,3,0,0,0,0|0,0,0]=3 26886 B12R0.312 CCCCCNCCC(C)(C)CC 7e2fbb6eb9f2feec0cb71136aad2c4a9 [0,3,0,0,0,0|1,0,0]=4 26887 B12R0.312 CCCCCNCCC(C)(C)OC fcf1abf950fe44a1f11a4b6041a05f92 [0,3,0,0,0,0|1,0,0]=4 26888 B12R0.312 CCCCCNCCC(F)(F)CO a563fb5ee057545c39d6eef19405d64b [0,3,0,0,0,0|1,0,0]=4 26889 B12R0.312 CCCCCNCCS(=O)(=O)CC d0b7d002cb7a3cc7d67ef3d32aa64913 [0,3,0,0,0,0|1,0,0]=4 26890 B12R0.312 CCCCCOCCC(C)(C)C#N d87140381c1789d7e2bf264ed0dd74fb [0,3,0,0,0,0|0,0,0]=3 26891 B12R0.312 CCCCCOCCC(C)(C)CC 1caef47184699abf311f80517c214689 [0,3,0,0,0,0|0,0,0]=3 26892 B12R0.312 CCCCCOCCC(C)(C)OC e66728983c11f3fe0acccdfc74083694 [0,3,0,0,0,0|0,0,0]=3 26893 B12R0.312 CCCCCOCCS(=O)(=O)CC 5512d50a14c60712bd9c3ac640a011dc [0,3,0,0,0,0|0,0,0]=3 26894 B12R0.312 CCCCCOCCS(=O)(=O)NC dbfaf1bfda42a31086e8d23c6d4d3d96 [0,3,0,0,0,0|1,0,0]=4 26895 B12R0.312 CCCCCOCCS(=O)(=O)OC 6de60bfc8afc464a0cbe843be46c11f1 [0,3,0,0,0,0|1,0,0]=4 26896 B12R0.312 CCCCNCCCC(C)(C)C#N 9c3d2f7bb2be6795b9b65863f02558cd [0,3,0,0,0,0|1,0,0]=4 26897 B12R0.312 CCCCNCCCC(C)(C)C=O 6e01dcabaec2e6ea21222804413d5c3f [0,3,0,0,0,0|1,0,0]=4 26898 B12R0.312 CCCCNCCCC(C)(C)CO 1a5ddba2a8b56e5d2d15b47271062b1b [0,3,0,0,0,0|1,0,0]=4 26899 B12R0.312 CCCCOCCCC(C)(C)C#N 9496fdb69a030a9371bd336afbd0ff24 [0,3,0,0,0,0|0,0,0]=3 26900 B12R0.312 CCCCOCCCC(C)(C)C=O c4d2027bc24cc3f4456f9ebf921b7fea [0,3,0,0,0,0|0,0,0]=3 26901 B12R0.312 CCCCOCCCS(=O)(=O)CC 235c9fc008899b044b4d6eea9ca94850 [0,3,0,0,0,0|0,0,0]=3 26902 B12R0.312 CCCCOCCNC(C)(C)C#N b3d5413987255fa0620424f280f6704d [0,3,0,0,0,0|1,0,0]=4 26903 B12R0.312 CCCCOCCNC(C)(C)CC 2279a8f1a4282b8a6725e324a2242b0e [0,3,0,0,0,0|0,0,0]=3 26904 B12R0.312 CCCCOCCNC(C)(C)CF 5edb88f3213965d7cc3d8b931a70de8c [0,3,0,0,0,0|1,0,0]=4 26905 B12R0.312 CCCCOCCNC(C)(C)CO 964084df6318c541959b45f7349e69dc [0,3,0,0,0,0|1,0,0]=4 26906 B12R0.312 CCCCOCNCC(C)(C)C#N 5c895af660f26053546ad2a5bae06170 [0,3,0,0,0,0|1,0,0]=4 26907 B12R0.312 CCCCOCNCC(C)(C)CC b43d193028bfea897f1cb490da08f84e [0,3,0,0,0,0|0,0,0]=3 26908 B12R0.312 CCCCOCNCC(C)(C)CF 38bff4b242bbccb95a59d82fff5a251d [0,3,0,0,0,0|1,0,0]=4 26909 B12R0.312 CCCCOCNCC(C)(C)CO d103bbe56f52c4f6e7a876c4ad2292d2 [0,3,0,0,0,0|1,0,0]=4 26910 B12R0.312 CCCCOCNCC(C)(C)OC 37ef546bd0874e5883f19b04f20e4e32 [0,3,0,0,0,0|1,0,0]=4 26911 B12R0.312 CCCCOCNCC(C)(O)CC 77d6189bba2649f9562fc6c85eb233db [0,3,0,0,0,0|0,0,0]=3 26912 B12R0.312 CCCCOCNCC(F)(F)CO e7531808fe31406e8693788349b2178b [0,3,0,0,0,0|1,0,0]=4 26913 B12R0.312 CCCCOCOCC(C)(C)C#N ae450cc9557b5fe934277dc7cb5e61ae [0,3,0,0,0,0|1,0,0]=4 26914 B12R0.312 CCCCOCOCC(C)(C)C=O e7ab5355d3ca88221824d01b6ee2fec2 [0,3,0,0,0,0|1,0,0]=4 26915 B12R0.312 CCCCOCOCC(C)(C)CF c61e6dccf16afd077ddb0ecd4db27bb3 [0,3,0,0,0,0|1,0,0]=4 26916 B12R0.312 CCCCOCOCC(C)(C)OC a7b5b0b16d6cd90da0de4302208bfc65 [0,3,0,0,0,0|1,0,0]=4 26917 B12R0.312 CCCCOCOCC(F)(F)CC ff79e311371c51516584deeaf58c5f95 [0,3,0,0,0,0|0,0,0]=3 26918 B12R0.312 CCCOCCNCC(C)(C)CC 9051c839243b807d9b3d533656509d01 [0,3,0,0,0,0|1,0,0]=4 26919 B12R0.312 CCCOCCNCC(C)(O)CC 7d02965ec045c35c1018e7cb9bfd9d15 [0,3,0,0,0,0|1,0,0]=4 26920 B12R0.312 CCCOCCOCC(C)(C)CF ce670637f062c75f7e3a0df39bdc1d39 [0,3,0,0,0,0|1,0,0]=4 26921 B12R0.312 CCCOCCOCC(C)(C)OC cf739d1ca1ec550944925ae4e5682948 [0,3,0,0,0,0|1,0,0]=4 26922 B12R0.312 CCCOCCOCC(F)(F)CC 3cc5200d93cc1e222634a6dac3ff6216 [0,3,0,0,0,0|0,0,0]=3 26923 B12R0.312 CCCOCCOCS(=O)(=O)CC 5eb04a33a5ce628b768000e1db73e76d [0,3,0,0,0,0|1,0,0]=4 26924 B12R0.312 CCCSCCOCC(C)(C)OC 559fc61071d16f34691ac4eba8046bb8 [0,3,0,0,0,0|1,0,0]=4 26925 B12R0.312 CCOCCCNCC(C)(C)CC 8d837513ead0b8baaaae15556265c516 [0,3,0,0,0,0|1,0,0]=4 26926 B12R0.312 CCOCCCNCC(C)(O)CC 9ae626f6d2218a29549cb2bc42fcc1d1 [0,3,0,0,0,0|1,0,0]=4 26927 B12R0.312 CCOCCCOCC(C)(C)CF 96f88285effd700b764ac1005d8dcdc5 [0,3,0,0,0,0|1,0,0]=4 26928 B12R0.312 CCOCCCOCC(C)(C)OC 741f503a6f28bb4e2ec0e4f90859fe47 [0,3,0,0,0,0|1,0,0]=4 26929 B12R0.312 CCOCCCOCC(F)(F)CC 02cd89f0b9ebed9fa2a7d698a67ebd25 [0,3,0,0,0,0|0,0,0]=3 26930 B12R0.312 CCOCCNCCC(C)(C)CC 7903ac13077fcd2add12178498f3e5b8 [0,3,0,0,0,0|1,0,0]=4 26931 B12R0.312 CCOCCOCCC(C)(C)C#N e6f2026124ae1aed18de3e2ef1aa5fc7 [0,3,0,0,0,0|1,0,0]=4 26932 B12R0.312 CCOCCOCCC(C)(C)CC d2a428dc39f02f77b1e71dcbf7420a1a [0,3,0,0,0,0|0,0,0]=3 26933 B12R0.312 CCOCCOCCC(C)(C)OC ba18e90bc897a9a810c5de9adcb630e8 [0,3,0,0,0,0|1,0,0]=4 26934 B12R0.312 CCOCCOCCS(=O)(=O)CC b3fad9603e21a7c17b35923ea6254dec [0,3,0,0,0,0|1,0,0]=4 26935 B12R0.312 CCS(=O)(=O)CCCOCCCF 99bfc7161019c4e0aa0c352399382457 [0,3,0,0,0,0|1,0,0]=4 26936 B12R0.312 CCS(=O)(=O)CCCOCCCS 1c0e2e9c8ee6fe83a5353f1291787d28 [0,3,0,0,0,0|1,0,0]=4 26937 B12R0.312 CCS(=O)(=O)CCCOCCOC 01efcb3ff7507a79be1f9ff26e9b2292 [0,3,0,0,0,0|1,0,0]=4 26938 B12R0.312 CCS(=O)(=O)CCCOCCSC 802663d6d6b97bc0f503ed0e9573238f [0,3,0,0,0,0|1,0,0]=4 26939 B12R0.312 CCS(=O)(=O)CCOCCCCF ef03d9dab505c36ba13fff9ab650be8b [0,3,0,0,0,0|1,0,0]=4 26940 B12R0.312 CCS(=O)(=O)CCOCCCCS 3206cc914dd5d1a53f358752d5e34881 [0,3,0,0,0,0|1,0,0]=4 26941 B12R0.312 CCS(=O)(=O)CCOCCCOC 407fa08ee7b50d646fad714ba0e3ff8c [0,3,0,0,0,0|1,0,0]=4 26942 B12R0.312 CCS(=O)(=O)CCOCCCSC 81c9bdf39317ab674ac94cc4d029e9a6 [0,3,0,0,0,0|1,0,0]=4 26943 B12R0.312 CCSCCCNCC(C)(C)CC 8be03cd8e7d8b7f3c8cb0eca96c83d53 [0,3,0,0,0,0|1,0,0]=4 26944 B12R0.312 CCSCCCNCC(C)(O)CC ca5b5413d50a5d93890e75897817a909 [0,3,0,0,0,0|1,0,0]=4 26945 B12R0.312 CCSCCCOCC(C)(C)CF 92f24d939ba6805a5eb488730858a891 [0,3,0,0,0,0|1,0,0]=4 26946 B12R0.312 CCSCCCOCC(C)(C)OC 1f9abecf7b895cd393c373c31b5ec2f1 [0,3,0,0,0,0|1,0,0]=4 26947 B12R0.312 CCSCCCOCC(F)(F)CC cbbbdc1094d703634eda77bcfff32db7 [0,3,0,0,0,0|0,0,0]=3 26948 B12R0.312 CCSCCNCCC(C)(C)CC ed4f852e2443f9839c673b670761a37e [0,3,0,0,0,0|1,0,0]=4 26949 B12R0.312 CCSCCOCCC(C)(C)C#N 260f84bace5d2b1b7ced6813ffa57e99 [0,3,0,0,0,0|1,0,0]=4 26950 B12R0.312 CCSCCOCCC(C)(C)CC 61166fcdde4120608e1b6b6be015bc7f [0,3,0,0,0,0|0,0,0]=3 26951 B12R0.312 CCSCCOCCC(C)(C)OC 2b5b138522d343d311a330fee12bcfbe [0,3,0,0,0,0|1,0,0]=4 26952 B12R0.312 CCSCCOCCS(=O)(=O)CC 6a0e2c507e658ccedf85f02ac9f6f8b7 [0,3,0,0,0,0|1,0,0]=4 26953 B12R0.312 COC(C)(C)CCOCCCCF 86b4b5d462b47232c5bb8fe666e22daf [0,3,0,0,0,0|1,0,0]=4 26954 B12R0.312 COC(C)(C)CCOCCCSC c5645ede7dbe171555bc99e3971c2fed [0,3,0,0,0,0|1,0,0]=4 26955 B12R0.312 COC(C)(C)COCCCCCF c8eb906689a05cb451c366d7ae9453a8 [0,3,0,0,0,0|1,0,0]=4 26956 B12R0.312 COC(C)(C)COCCCCSC 5559ec4f6a98b5cb673e8e937870a9b2 [0,3,0,0,0,0|1,0,0]=4 26957 B12R0.312 COCCCCOCC(C)(C)CF aee284fb3e5769fabf94bda39c5eb23b [0,3,0,0,0,0|1,0,0]=4 26958 B12R0.312 COCCCCOCC(C)(C)OC 3a5e247ceb35786a06f9fdca9caec3af [0,3,0,0,0,0|1,0,0]=4 26959 B12R0.312 COCCCOCCC(C)(C)C#N 32ca0d51c59593eb057fc78591adcce4 [0,3,0,0,0,0|1,0,0]=4 26960 B12R0.312 COCCCOCCC(C)(C)OC bf92aa850d4c379d1e5c4eae3c86bc92 [0,3,0,0,0,0|1,0,0]=4 26961 B12R0.312 COCCOCCCC(C)(C)C#N 3f80b3adf8bedf01065aeb997c055557 [0,3,0,0,0,0|1,0,0]=4 26962 B12R0.312 COCCOCCCC(C)(C)C=O d9b39b39e6934ebc335292156c17714c [0,3,0,0,0,0|1,0,0]=4 26963 B12R0.312 CSCCCOCCC(C)(C)C#N 5a93345dee61621bb7b35520deeb41c0 [0,3,0,0,0,0|1,0,0]=4 26964 B12R0.312 CSCCOCCCC(C)(C)C#N 838a61424af97c959058f73ed668ee2a [0,3,0,0,0,0|1,0,0]=4 26965 B12R0.312 CSCCOCCCC(C)(C)C=O a0de863c1c635a2e8b1f0a1ab539b768 [0,3,0,0,0,0|1,0,0]=4 26966 B12R0.48 CCCCC(C)NCC(C)C(C)C fd7599c2f40343a57daade878ead049e [0,3,0,0,0,0|1,0,0]=4 26967 B12R0.48 CCCCC(C)NCC(O)C(C)C fe7d31c67c0d88b0c2e47d6f15ff4121 [0,3,0,0,0,0|1,0,0]=4 26968 B12R0.48 CCCCC(C)OCC(=O)C(C)C 99eeb91c6cf07c99e15ca9b3f1e9234c [0,3,0,0,0,0|0,0,1]=4 26969 B12R0.48 CCCCC(C)OCC(C)C(=O)C 74eaafc0e21c8200e9de1da9d0ce437d [0,3,0,0,0,0|0,0,1]=4 26970 B12R0.48 CCCCC(C)OCC(C)C(C)C 8ea40fb156f1df58ab8dc633af6c45f3 [0,3,0,0,0,0|0,0,0]=3 26971 B12R0.48 CCCCC(C)OCC(C)N(C)C 36e6f928abfd09f38566e48623b1a77d [0,3,0,0,0,0|1,0,0]=4 26972 B12R0.48 CCCCC(C)OC[C@@H](C)N(C)C 7708af7490cd750f1ff58f7978283093 [0,3,0,0,0,0|1,0,0]=4 26973 B12R0.48 CCCCC(C)OC[C@H](C)N(C)C 728c3524eac3f757c3d565055de007da [0,3,0,0,0,0|1,0,0]=4 26974 B12R0.48 CCCC[C@@H](C)NCC(C)C(C)C e54d66e74e4b2889eecbcefc6886ed16 [0,3,0,0,0,0|1,0,0]=4 26975 B12R0.48 CCCC[C@@H](C)OCC(=O)C(C)C fb3d09adf501d9a9881a615aa3ef4ac4 [0,3,0,0,0,0|0,0,1]=4 26976 B12R0.48 CCCC[C@@H](C)OCC(C)C(C)C 93d1ab1f8bf95b37142325a88f1bc875 [0,3,0,0,0,0|0,0,0]=3 26977 B12R0.48 CCCC[C@H](C)OCC(=O)C(C)C 9fc48ad82e4c5584314f2acf5fb788ea [0,3,0,0,0,0|0,0,1]=4 26978 B12R0.48 CCCC[C@H](C)OCC(C)C(C)C 05cad3b725aac5bc1eec2f48dc569030 [0,3,0,0,0,0|0,0,0]=3 26979 B12R0.48 CCOCC(C)OCC(C)C(C)C bd73cc7fa8d93be5dac5233f9729e732 [0,3,0,0,0,0|1,0,0]=4 26980 B12R0.48 COCCC(C)OCC(C)C(C)C 56c0df3f2dcac5033d80510a8ad68f8d [0,3,0,0,0,0|1,0,0]=4 26981 B12R0.48 CSCCC(C)OCC(C)C(C)C b27ff3d4288817feb5088ffbef9ea616 [0,3,0,0,0,0|1,0,0]=4 26982 B12R0.58 CC(C)C(C)(C)COCCCCF a6db132ca6cd401f5d416c4fe3e12d78 [0,3,0,0,0,0|1,0,0]=4 26983 B12R0.58 CC(C)C(C)(C)COCCCCS 08836bcd04aa921e71e914edf44b33d4 [0,3,0,0,0,0|1,0,0]=4 26984 B12R0.58 CC(C)C(F)(F)COCCCCF 6621eed0810eed473ceba2efd4588654 [0,3,0,0,0,0|1,0,0]=4 26985 B12R0.58 CCCCCNCC(C)(C)C(C)C 19fde06b686ecbc95b0f2b6320c2f63d [0,3,0,0,0,0|1,0,0]=4 26986 B12R0.58 CCCCCNCC(C)(C)C(C)O 795208ad46383a107801be8ef1195771 [0,3,0,0,0,0|1,0,0]=4 26987 B12R0.58 CCCCCOCC(C)(C)C(=O)C 16ea3af143164550ede76b934f33bc4a [0,3,0,0,0,0|0,0,1]=4 26988 B12R0.58 CCCCCOCC(C)(C)C(C)C 841d8bc0bd5e8b6df67361bff244a032 [0,3,0,0,0,0|0,0,0]=3 26989 B12R0.58 CCCCCOCC(C)(C)C(F)F 958718df28203c92b95797abb0e5d341 [0,3,0,0,0,0|1,0,0]=4 26990 B12R0.58 CCCCCOCC(C)(C)N(C)C f773668539f9a2c9bc938a0aef052dd8 [0,3,0,0,0,0|1,0,0]=4 26991 B12R0.58 CCCCCOCC(F)(F)C(C)C 87dc8895a3abab8b0bfbcb736da0f68c [0,3,0,0,0,0|0,0,0]=3 26992 B12R0.58 CCCCCOCC(F)(F)C(F)F e250aad0311488915bac949163d84f53 [0,3,0,0,0,0|1,0,0]=4 26993 B12R0.58 CCCCOCCC(C)(C)N(C)C 8f5f3d641b554b83be1dd019519ba60c [0,3,0,0,0,0|1,0,0]=4 26994 B12R0.58 CCCCOCCC(F)(F)C(F)F c92512d56ca103d7028f71cf01c1286c [0,3,0,0,0,0|1,0,0]=4 26995 B12R0.58 CCCCOCCS(=O)(=O)C(C)C f1a92c7c744a7cfe4c82181868ab31bd [0,3,0,0,0,0|1,0,0]=4 26996 B12R0.58 CCCCOCNC(C)(C)C(C)C 722c5eabecf14420ca959e5952924ff4 [0,3,0,0,0,0|1,0,0]=4 26997 B12R0.58 CCCCOCNC(C)(C)C(C)O 96ff9b6aeabe3b4614dfaacbadcd100d [0,3,0,0,0,0|1,0,0]=4 26998 B12R0.58 CCOCCOCC(C)(C)C(C)C 898402b9767f0fb2da559f6a046033a2 [0,3,0,0,0,0|1,0,0]=4 26999 B12R0.58 CCOCCOCC(F)(F)C(C)C 8c225a82bf41f89d02572245d9beeb5a [0,3,0,0,0,0|1,0,0]=4 27000 B12R0.58 CCSCCOCC(C)(C)C(C)C 8de3d136ef2a1927a681e4d73c1c6c32 [0,3,0,0,0,0|1,0,0]=4 27001 B12R0.58 CCSCCOCC(F)(F)C(C)C 4acc5befe89420bb4e6968a10e3357bf [0,3,0,0,0,0|1,0,0]=4 27002 B12R0.58 COCCCOCC(C)(C)C(C)C 7463e4de0415a743a24c2589ef303b33 [0,3,0,0,0,0|1,0,0]=4 27003 B12R0.58 COCCCOCC(F)(F)C(C)C 4e38a30e05af4e7008fa1dba33f8459e [0,3,0,0,0,0|1,0,0]=4 27004 B12R0.58 CSCCCOCC(C)(C)C(C)C 5ed9380505913eea28594ac76839c117 [0,3,0,0,0,0|1,0,0]=4 27005 B12R0.58 CSCCCOCC(F)(F)C(C)C 5f7b0b217f8ae7764ce2e3401b5a6631 [0,3,0,0,0,0|1,0,0]=4 27006 B12R0.123 CCCCCN(C)CC(C)C(C)C a902103e5907bbc01288561c1fb026c2 [0,3,0,0,0,0|1,0,0]=4 27007 B12R0.186 C=C(CC)COCCC(C)C(C)C f3f688870d405aaf65ad1d95211a429a [0,3,0,0,0,0|0,0,1]=4 27008 B12R0.186 CC(C)C(C)CCOCC(O)CO 6c2d7fc31d31588b77d226a475b5233c [0,3,0,0,0,0|1,0,0]=4 27009 B12R0.186 CC(C)C(C)CCOC[C@@H](O)CO e04ca976a23957703bf317a04cbeba03 [0,3,0,0,0,0|1,0,0]=4 27010 B12R0.186 CC(C)C(C)CCOC[C@H](O)CO ba7e226461b5d1df584326f809b5e8bc [0,3,0,0,0,0|1,0,0]=4 27011 B12R0.186 CCC(=O)COCCC(C)C(C)C 36d7731b0fc5dd67be54bd8bd28fadcb [0,3,0,0,0,0|0,0,1]=4 27012 B12R0.186 CCC(C)CCNCC(C)C(C)C bd0378ef7b81da86c4aeb16745faa2f4 [0,3,0,0,0,0|1,0,0]=4 27013 B12R0.186 CCC(C)CCNCC(O)C(C)C 7db006b9d8b01cd281cee1f8c8b37dc7 [0,3,0,0,0,0|1,0,0]=4 27014 B12R0.186 CCC(C)CCOCC(=O)C(C)C 6120d1a002262abce2314e53429269a9 [0,3,0,0,0,0|0,0,1]=4 27015 B12R0.186 CCC(C)CCOCC(C)C(=O)C d5a82aacea34d36bc1f0992bf2b5f6e8 [0,3,0,0,0,0|0,0,1]=4 27016 B12R0.186 CCC(C)CCOCC(C)C(C)C ef20268376c7f94af292b86e6575ee0d [0,3,0,0,0,0|0,0,0]=3 27017 B12R0.186 CCC(C)CCOCC(C)N(C)C 395fda22e1e35d58428bf1e093406e55 [0,3,0,0,0,0|1,0,0]=4 27018 B12R0.186 CCC(C)CCOC[C@@H](C)N(C)C 6d32dc7d86fb43cb2d0bf51b341b9f48 [0,3,0,0,0,0|1,0,0]=4 27019 B12R0.186 CCC(C)CCOC[C@H](C)N(C)C 25159c3d831f489a0a54b4212d90a0e2 [0,3,0,0,0,0|1,0,0]=4 27020 B12R0.186 CCC(C)COCCC(C)C(C)C 04961f9b3f5fa147a10497168064d212 [0,3,0,0,0,0|0,0,0]=3 27021 B12R0.186 CCC(C)COCCC(C)N(C)C 0d94152a5507ee75e3d3e65871b431f8 [0,3,0,0,0,0|1,0,0]=4 27022 B12R0.186 CCC(S)CCOCC(=O)C(C)C 826a2d8db221a24fb34e63d7535f5232 [0,3,0,0,0,0|0,0,1]=4 27023 B12R0.186 CCC(S)CCOCC(C)C(C)C 1e7b511dfe766c59833770a1c20a0da4 [0,3,0,0,0,0|0,0,0]=3 27024 B12R0.186 CCS(=O)CCOCC(C)C(C)C 5ead8beafd4d5b4a0efbc717e62987b6 [0,3,0,0,0,0|1,0,0]=4 27025 B12R0.186 CC[C@@H](C)COCCC(C)C(C)C b12a7340502aa3ae00bf971cf7a3ded6 [0,3,0,0,0,0|0,0,0]=3 27026 B12R0.186 CC[C@@H](C)COCCC(C)N(C)C e505c8087cb6ca5112291e6e2ee9c966 [0,3,0,0,0,0|1,0,0]=4 27027 B12R0.186 CC[C@H](C)CCOCC(=O)C(C)C 708fb17ea10f2021b695f657b87b490e [0,3,0,0,0,0|0,0,1]=4 27028 B12R0.186 CC[C@H](C)CCOCC(C)C(C)C c3c8e3295b3412a8ab812e685070c8e6 [0,3,0,0,0,0|0,0,0]=3 27029 B12R0.186 CC[C@H](C)COCCC(C)C(C)C b9868ed619e715e696da9416539099db [0,3,0,0,0,0|0,0,0]=3 27030 B12R0.186 CC[C@H](C)COCCC(C)N(C)C e6ac231288fa623d62d68ed89c933e41 [0,3,0,0,0,0|1,0,0]=4 27031 B12R0.186 COC(C)CCOCC(C)C(C)C e73accf45112b0ad672375c1ef6dff6d [0,3,0,0,0,0|1,0,0]=4 27032 B12R0.186 COC(C)COCCC(C)C(C)C 76e0b7da3756d2b3d86d20329fab3322 [0,3,0,0,0,0|1,0,0]=4 27033 B12R0.186 CO[C@@H](C)COCCC(C)C(C)C 970a16ae5be465b7c0d413874d25df10 [0,3,0,0,0,0|1,0,0]=4 27034 B12R0.186 CO[C@H](C)COCCC(C)C(C)C a80df15ac778c747c5c45291cc9a3acc [0,3,0,0,0,0|1,0,0]=4 27035 B12R0.201 C#CC(OCOCCCC)C(C)C 1615de1aba5341c1e9ea653c7293602c [0,3,0,0,0,0|1,0,0]=4 27036 B12R0.201 C=CC(OCOCCCC)C(C)C f074ade8370f1a7feaf054b0fac59796 [0,3,0,0,0,0|1,0,0]=4 27037 B12R0.201 CCC(CCOCCCF)C(C)C 394ae006b9ecc5903cade02eec704c78 [0,3,0,0,0,0|1,0,0]=4 27038 B12R0.201 CCC(CCOCCCS)C(C)C 622fe902905c8dede011828ef9b7d12e [0,3,0,0,0,0|1,0,0]=4 27039 B12R0.201 CCC(CCOCCOC)C(C)C 83dfd4c50df7d1b9709081c59afe4abe [0,3,0,0,0,0|1,0,0]=4 27040 B12R0.201 CCC(CCOCCSC)C(C)C fff9e130948241300b7862311cca69a9 [0,3,0,0,0,0|1,0,0]=4 27041 B12R0.201 CCC(COCCCCF)C(C)C bccf6bb671cb0459fe88fb37893fbe9f [0,3,0,0,0,0|1,0,0]=4 27042 B12R0.201 CCC(COCCCCF)N(C)C 89843467dad6f85a945e6101fcf0185e [0,3,0,0,0,0|1,0,0]=4 27043 B12R0.201 CCC(COCCCOC)C(C)C 3fcf6756d15b4a0bfc9aa87cf4814cf4 [0,3,0,0,0,0|1,0,0]=4 27044 B12R0.201 CCC(COCCCOC)N(C)C fbd2edfbf9bc5b29fc67e4157077f36d [0,3,0,0,0,0|1,0,0]=4 27045 B12R0.201 CCC(COCCCSC)C(C)C e7afdf99b512f9d1f37ae4428db12812 [0,3,0,0,0,0|1,0,0]=4 27046 B12R0.201 CCC(COCCCSC)N(C)C d2a78578de43118076a2320936339767 [0,3,0,0,0,0|1,0,0]=4 27047 B12R0.201 CCCCCNCC(CC)N(C)C 94c195e1ff1da01f84ead75e3455c5cd [0,3,0,0,0,0|1,0,0]=4 27048 B12R0.201 CCCCCNCC(CO)C(C)C fc2a56fbfe9141020efb278cfe9d8698 [0,3,0,0,0,0|1,0,0]=4 27049 B12R0.201 CCCCCNC[C@H](CC)C(=O)O 5d7b6118e059c5d96793f75a179c85a6 [0,3,0,0,0,0|1,0,0]=4 27050 B12R0.201 CCCCCOCC(CC)C(C)C 33f44c19881899ad6782e583b67976c4 [0,3,0,0,0,0|0,0,0]=3 27051 B12R0.201 CCCCCOCC(CC)N(C)C 3bc4dae2030761c66dcd573689d628bb [0,3,0,0,0,0|0,0,0]=3 27052 B12R0.201 CCCCCOC[C@H](OC)C(C)C cdba3bb09150ea6d776ac12601392ea5 [0,3,0,0,0,0|0,0,0]=3 27053 B12R0.201 CCCCOCCC(CC)C(C)C 4fcba95174b847a42c9bfe29b12c8ef8 [0,3,0,0,0,0|0,0,0]=3 27054 B12R0.201 CCCCOCCN(CC)C(C)C c5ed016e31342eb250defdcefe4e7b8c [0,3,0,0,0,0|1,0,0]=4 27055 B12R0.201 CCCCOCNC(CC)C(=O)N 2ebbefc75832aca7c4a13c74ea0186e8 [0,3,0,0,0,0|1,0,0]=4 27056 B12R0.201 CCCCOCNC(CC)C(=O)O e05de84f9e27aeef9919b29b3d5ca2dd [0,3,0,0,0,0|1,0,0]=4 27057 B12R0.201 CCCCOCNC(CC)C(C)C 964622e1a0ae86d35cbbd1bee57380a0 [0,3,0,0,0,0|1,0,0]=4 27058 B12R0.201 CCCCOCNC(CO)C(C)C b2f32b302373f89aa914ac8cd6ca9999 [0,3,0,0,0,0|1,0,0]=4 27059 B12R0.201 CCCCOCNC(CO)C(C)O 559a79844e7c7587817824b7ea8748df [0,3,0,0,0,0|1,0,0]=4 27060 B12R0.201 CCCCOCN[C@@H](CC)C(=O)N 1befe89c425236ca475a8a3dd2a6c591 [0,3,0,0,0,0|1,0,0]=4 27061 B12R0.201 CCCCOCN[C@@H](CC)C(=O)O 0631b18cb9fb0d3ffe1a179c8e979d93 [0,3,0,0,0,0|1,0,0]=4 27062 B12R0.201 CCCCOCN[C@@H](CC)[C@@H](C)O 0911b9623f7c30c589a07948f10062c7 [0,3,0,0,0,0|1,0,0]=4 27063 B12R0.201 CCCCOCN[C@@H](CO)C(C)C a71747b281d43cf73223e89f46153d3e [0,3,0,0,0,0|1,0,0]=4 27064 B12R0.201 CCCCOCN[C@@H](CO)[C@@H](C)O 9e26f9ad3a68f5c6cfac0952086af969 [0,3,0,0,0,0|1,0,0]=4 27065 B12R0.201 CCCCOCN[C@@H](CO)[C@H](C)O 3d493711f3badaaf99146702b6f064e0 [0,3,0,0,0,0|1,0,0]=4 27066 B12R0.201 CCCCOCN[C@H](CC)C(=O)O 4890ca0092bca1bd6a14d35ccde32489 [0,3,0,0,0,0|1,0,0]=4 27067 B12R0.201 CCCCOCN[C@H](CC)[C@@H](C)O eeeffc82ad094bc077c08cbe5965820c [0,3,0,0,0,0|1,0,0]=4 27068 B12R0.201 CCCCOCN[C@H](CC)[C@H](C)O 73c1737d7aebc4849fc07251153dddef [0,3,0,0,0,0|1,0,0]=4 27069 B12R0.201 CCCCOCN[C@H](CO)C(C)C 933d11643d052907b5d9f175c6e695bd [0,3,0,0,0,0|1,0,0]=4 27070 B12R0.201 CCCCOCN[C@H](CO)[C@@H](C)O 97f74f1da44b801c2b42fffa6d2c848b [0,3,0,0,0,0|1,0,0]=4 27071 B12R0.201 CCCCOCN[C@H](CO)[C@H](C)O e11a8c7524ed969e2111cef52ef1c379 [0,3,0,0,0,0|1,0,0]=4 27072 B12R0.201 CCCCOCOC(C#N)C(C)C 26f9d7db5773f8e7b2c6a5920eb1fe81 [0,3,0,0,0,0|1,0,0]=4 27073 B12R0.201 CCCCOCOC(CC)C(=O)N 840858bb1008819ae48fc128cce31bd9 [0,3,0,0,0,0|1,0,0]=4 27074 B12R0.201 CCCCOCOC(CC)C(=O)O ceb54ac0b3d2b9e07b2dc0b4c1ec769a [0,3,0,0,0,0|1,0,0]=4 27075 B12R0.201 CCCCOCOC(CC)C(C)C bf3f47c2c7a742b133ebedb2ad6d284e [0,3,0,0,0,0|1,0,0]=4 27076 B12R0.201 CCCCOCO[C@@H](CC)C(=O)O e1835e856b05a4d3bd552f0865b6520e [0,3,0,0,0,0|1,0,0]=4 27077 B12R0.201 CCCCOCO[C@H](CC)C(=O)O 3a1426b1bae1b9928a5d2aa0526bc694 [0,3,0,0,0,0|1,0,0]=4 27078 B12R0.201 CCOCCOCC(CC)C(C)C fb5d96dafad77f2927b410e8edcc3bac [0,3,0,0,0,0|1,0,0]=4 27079 B12R0.201 CCOCCOCC(CC)N(C)C 625128d2e49e698b90e40cba6c5cfc6a [0,3,0,0,0,0|1,0,0]=4 27080 B12R0.201 CCOCCOC[C@H](OC)C(C)C a5b903ae120db21eb39ba957e8c35ba2 [0,3,0,0,0,0|1,0,0]=4 27081 B12R0.201 CCOCOCCC(CC)C(C)C 7a5e3daf2e8ce7e5919d3809658919aa [0,3,0,0,0,0|1,0,0]=4 27082 B12R0.201 CCSCCOCC(CC)C(C)C 090c3939cfa59c4396833809818371ef [0,3,0,0,0,0|1,0,0]=4 27083 B12R0.201 CCSCCOCC(CC)N(C)C 166e2ee4898e286492541cc8af32c2b6 [0,3,0,0,0,0|1,0,0]=4 27084 B12R0.201 CCSCCOC[C@H](OC)C(C)C 2e24d01f27664400fcce16c8c851e8ba [0,3,0,0,0,0|1,0,0]=4 27085 B12R0.201 COCCCOC[C@H](OC)C(C)C 23a162494c302a9b412610e83697ae8d [0,3,0,0,0,0|1,0,0]=4 27086 B12R0.201 CO[C@@H](COCCCCF)C(C)C 61cf2830ab4656e7fede65ec7664362f [0,3,0,0,0,0|1,0,0]=4 27087 B12R0.201 CO[C@@H](COCCCSC)C(C)C a813edb209b8492125faaaa88381dfb5 [0,3,0,0,0,0|1,0,0]=4 27088 B12R0.237 CC(COCCCCF)C(C)(C)C 615c08092e944812be520fbf622bbe8f [0,3,0,0,0,0|1,0,0]=4 27089 B12R0.237 CCCCCNCC(O)C(C)(C)C a87eb2414be3f730eea47d7626eddf7b [0,3,0,0,0,0|1,0,0]=4 27090 B12R0.237 CCCCCNCC(O)C(C)(C)O 2b954b23571a10c3b896e4c1eb49d192 [0,3,0,0,0,0|1,0,0]=4 27091 B12R0.237 CCCCCNC[C@@H](F)C(C)(C)O 3c80c5dacb9b1e613b51e36166fc7346 [0,3,0,0,0,0|1,0,0]=4 27092 B12R0.237 CCCCCNC[C@H](F)C(C)(C)O bacebab3a8d27bcec997e6e7ed979829 [0,3,0,0,0,0|1,0,0]=4 27093 B12R0.237 CCCCCOCC(=O)C(C)(C)C e975e8c3b93ee4207a57f0520a42160f [0,3,0,0,0,0|0,0,1]=4 27094 B12R0.237 CCCCCOCC(=O)C(C)(C)O 4aababdf271e9f53d3cbd6fdabecf193 [0,3,0,0,0,0|0,0,1]=4 27095 B12R0.237 CCCCCOCC(C)C(C)(C)C 2801d99e8abe75e150b8bcce2a1b4505 [0,3,0,0,0,0|0,0,0]=3 27096 B12R0.237 CCCCCOCC(C)C(F)(F)F 9b830e2796729459fc2ac1b82ccf09e6 [0,3,0,0,0,0|1,0,0]=4 27097 B12R0.237 CCCCOCCC(C)C(F)(F)F b0212c65d1f5ae23a7d702b4ea44a981 [0,3,0,0,0,0|1,0,0]=4 27098 B12R0.237 CCCCOCCN(C)C(C)(C)C 2905deef8c5a2ccd60536b35f4b05a2d [0,3,0,0,0,0|1,0,0]=4 27099 B12R0.237 CCCCOCNC(C)C(C)(C)C 2eef9d48614d6c324913af6727bba8b0 [0,3,0,0,0,0|1,0,0]=4 27100 B12R0.237 CCCCOCNC(C)C(C)(C)O f478bbbaf74568eaf0d8f6600cd779e3 [0,3,0,0,0,0|1,0,0]=4 27101 B12R0.237 CCCCOCN[C@@H](C)C(C)(C)C 79087f0d5608f3ad6e6fca7fddbaa063 [0,3,0,0,0,0|1,0,0]=4 27102 B12R0.237 CCCCOCN[C@@H](C)C(C)(C)O a5890fe1bb818018cd6f2a0deae02155 [0,3,0,0,0,0|1,0,0]=4 27103 B12R0.237 CCCCOCN[C@H](C)C(C)(C)C c96998d758654dedaa917c5a090dfa24 [0,3,0,0,0,0|1,0,0]=4 27104 B12R0.237 CCCCOCN[C@H](C)C(C)(C)O 2ab9cef41e55df56e9e50161117866dc [0,3,0,0,0,0|1,0,0]=4 27105 B12R0.237 CCOCCOCC(C)C(C)(C)C 83381f062ffb7c790036ce9ad8ca6450 [0,3,0,0,0,0|1,0,0]=4 27106 B12R0.237 CCSCCOCC(C)C(C)(C)C 79bf63ef9e31c95067dde0745126f109 [0,3,0,0,0,0|1,0,0]=4 27107 B12R0.237 COCCCOCC(C)C(C)(C)C 0f74e9f5807125946020f023cb70d019 [0,3,0,0,0,0|1,0,0]=4 27108 B12R0.237 CSCCCOCC(C)C(C)(C)C d30094281c768fc574d70d6a267e4a6e [0,3,0,0,0,0|1,0,0]=4 27109 B12R0.98 CCCCC(C)N(C)CCC(C)C 91e1c529928243119d1f639607c5ed79 [0,3,0,0,0,0|1,0,0]=4 27110 B12R0.98 CCCCC(C)N(C)CCC(C)O 6a12adb0695d1efbce1d5c8a613651f5 [0,3,0,0,0,0|1,0,0]=4 27111 B12R0.98 CCCCN(C)C(C)CCC(C)C 2f67ef0234d990098159acd3702c17cf [0,3,0,0,0,0|1,0,0]=4 27112 B12R0.189 C=C(CC)COC(C)CCC(C)C 7867ed86c18cb084e756861abefa7bca [0,3,0,0,0,0|0,0,1]=4 27113 B12R0.189 CC(C)CCC(C)OCC(Br)CBr a0b66c6a7bc44e8c23f979be7bb7d25b [0,3,0,0,0,0|1,0,0]=4 27114 B12R0.189 CC(C)CCC(C)OCC(Cl)CCl 409f0838875a1065d7e7746c40ad8fec [0,3,0,0,0,0|1,0,0]=4 27115 B12R0.189 CC(C)CCC(C)OCC(O)CO fc1005c18b057bcd593bede952c6944b [0,3,0,0,0,0|1,0,0]=4 27116 B12R0.189 CC(C)CCC(C)OCC(S)CS ba6825667d1e54137812def8672a5d41 [0,3,0,0,0,0|1,0,0]=4 27117 B12R0.189 CC(C)CCC(C)OC[C@@H](O)CO e07da6f7346352b4700b29ff7cb322db [0,3,0,0,0,0|1,0,0]=4 27118 B12R0.189 CC(C)CCC(C)OC[C@H](O)CO ba9746578e7bdb73a6a25c12b282354d [0,3,0,0,0,0|1,0,0]=4 27119 B12R0.189 CCC(=O)COC(C)CCC(C)C d04aa792c2b67519d1a2d88f6f8abf25 [0,3,0,0,0,0|0,0,1]=4 27120 B12R0.189 CCC(C)CCN(C)CCC(C)C 7be1732d969b1909c78e1f4995f58fbe [0,3,0,0,0,0|1,0,0]=4 27121 B12R0.189 CCC(C)CCN(C)CCC(C)O 07e3126b8a83a11dbe5cfe54c02e5cef [0,3,0,0,0,0|1,0,0]=4 27122 B12R0.189 CCC(C)CNC(C)CCC(C)C c7df8f63b7d264a5ca02e58228740fa4 [0,3,0,0,0,0|1,0,0]=4 27123 B12R0.189 CCC(C)COC(C)CCC(C)C 007e185bf931fdffeab6345906785771 [0,3,0,0,0,0|0,0,0]=3 27124 B12R0.189 CCC(C)COC(C)CCN(C)C 0eb0ac79bfa1702d563817026504cda3 [0,3,0,0,0,0|1,0,0]=4 27125 B12R0.189 CCC(C)COC(C)COC(C)C 17dde8fb285ff3c4a058979623f96aae [0,3,0,0,0,0|1,0,0]=4 27126 B12R0.189 CCC(C)CO[C@@H](C)COC(C)C e915a63e6ed174ed9a17156649eee501 [0,3,0,0,0,0|1,0,0]=4 27127 B12R0.189 CCC(O)CNC(C)CCC(C)C 09dbda69e7f34d9c812e5589fad71e4d [0,3,0,0,0,0|1,0,0]=4 27128 B12R0.189 CC[C@@H](C)CNC(C)CCC(C)C 5123531a730c2bc9462ddec9524905a2 [0,3,0,0,0,0|1,0,0]=4 27129 B12R0.189 CC[C@@H](C)COC(C)CCC(C)C 516bd302b7e7396c6d13e819311c1200 [0,3,0,0,0,0|0,0,0]=3 27130 B12R0.189 CC[C@@H](C)COC(C)CCN(C)C bfcad8cb44ce1293be17791901cc857a [0,3,0,0,0,0|1,0,0]=4 27131 B12R0.189 CC[C@@H](C)COC(C)COC(C)C 0628bf56f924ea3c96ea799cfe5f0421 [0,3,0,0,0,0|1,0,0]=4 27132 B12R0.189 CC[C@@H](C)CO[C@@H](C)COC(C)C 0ee907658a6e45084bcf45f7ac0ab364 [0,3,0,0,0,0|1,0,0]=4 27133 B12R0.189 CC[C@@H](O)CNC(C)CCC(C)C 66e29c004a8e50690cd0987cf7739b23 [0,3,0,0,0,0|1,0,0]=4 27134 B12R0.189 CC[C@H](C)CNC(C)CCC(C)C 298ab3939f849875aa4b13c8627f23bf [0,3,0,0,0,0|1,0,0]=4 27135 B12R0.189 CC[C@H](C)COC(C)CCC(C)C 219021d63b3536252ce9514e2c5108e7 [0,3,0,0,0,0|0,0,0]=3 27136 B12R0.189 CC[C@H](C)COC(C)CCN(C)C 3411f4622b60b4564fa676e2a5501133 [0,3,0,0,0,0|1,0,0]=4 27137 B12R0.189 CC[C@H](C)COC(C)COC(C)C a46ad0d80d03e567c988ffac6f78a947 [0,3,0,0,0,0|1,0,0]=4 27138 B12R0.189 CC[C@H](C)CO[C@@H](C)COC(C)C 4db15807ec73658f623e7067d6626d3f [0,3,0,0,0,0|1,0,0]=4 27139 B12R0.189 COC(C)COC(C)CCC(C)C dcc43cb50e01cdbc48a9e3a48bf72529 [0,3,0,0,0,0|1,0,0]=4 27140 B12R0.189 CO[C@@H](C)COC(C)CCC(C)C cf241aba35b552144d0f7e270a09b102 [0,3,0,0,0,0|1,0,0]=4 27141 B12R0.189 CO[C@H](C)COC(C)CCC(C)C fd26416777276881b268ac0ef052142e [0,3,0,0,0,0|1,0,0]=4 27142 B12R0.649 CCCCCN(C)CCC(C)(C)C 3633225930ca396c2180817ffff1907d [0,3,0,0,0,0|1,0,0]=4 27143 B12R0.649 CCCCCN(C)CCC(C)(C)O bba9836f78020d5e372a5222ce77813b [0,3,0,0,0,0|1,0,0]=4 27144 B12R0.649 CCCCCN(C)CCC(C)(F)F c7dba813003a064c0f2b8bbd1c4998d2 [0,3,0,0,0,0|1,0,0]=4 27145 B12R0.649 CCCCNC(C)CCC(C)(C)C 2bd445b09b5033917dbd728d3fee7e2e [0,3,0,0,0,0|1,0,0]=4 27146 B12R0.649 CCCCOC(C)CCC(F)(F)F 1f81c5fd5dfb60ee8294f8047baea191 [0,3,0,0,0,0|1,0,0]=4 27147 B12R0.649 CCCCOC(C)COC(C)(C)C cfe2bd395c7430bed9ac54c8a0de0ff5 [0,3,0,0,0,0|1,0,0]=4 27148 B12R0.649 CCCCO[C@H](C)COC(C)(C)C b61e7024830ef978eea84c954a2b9d08 [0,3,0,0,0,0|1,0,0]=4 27149 B12R0.35 C=C(C)CCCOCC(CC)CC 51dceb64b17d38e2c3b021ef7f43baeb [0,3,0,0,0,0|0,0,1]=4 27150 B12R0.35 C=C(C)CCCOCC(CC)OC a4f5429746f2edb3ffbba7101e075adb [0,3,0,0,0,0|0,0,1]=4 27151 B12R0.35 CC(C)CCCOCC(CBr)CBr a28377914bfa35004ddaf18cfddd72ca [0,3,0,0,0,0|1,0,0]=4 27152 B12R0.35 CCC(CC)CCNCCC(C)C 53eec3c72a8f324d177695058da217fd [0,3,0,0,0,0|1,0,0]=4 27153 B12R0.35 CCC(CC)CCNCCC(C)O 70f020ae92a9729b744479eac2118a91 [0,3,0,0,0,0|1,0,0]=4 27154 B12R0.35 CCC(CC)CNCCCC(C)C 0cea69ce62681781c97e1fc3ffadafbb [0,3,0,0,0,0|1,0,0]=4 27155 B12R0.35 CCC(CC)CNCCCC(C)O fb356c938b5003689b03fe2e0d9b9c43 [0,3,0,0,0,0|1,0,0]=4 27156 B12R0.35 CCC(CC)COCCCC(=O)C e5408a00fde4eb59be4db12bc635b024 [0,3,0,0,0,0|0,0,1]=4 27157 B12R0.35 CCC(CC)COCCCC(C)C dd17f5894e7b8fdd59cc2e1043a2c86d [0,3,0,0,0,0|0,0,0]=3 27158 B12R0.35 CCC(CC)COCCCN(C)C 345b59b4bdacf396ab827858e909b4bc [0,3,0,0,0,0|1,0,0]=4 27159 B12R0.35 CCC(CC)COCCOC(C)C 8bbe4e544eadda386046bdf0a97d8996 [0,3,0,0,0,0|1,0,0]=4 27160 B12R0.35 CCC(CC)COCCSC(C)C 369f6d593c5a590e25cff118784d0ad6 [0,3,0,0,0,0|1,0,0]=4 27161 B12R0.35 CCC(CO)CNCCCC(C)C b07045f425e3ee97e526ab0a45fd85bd [0,3,0,0,0,0|1,0,0]=4 27162 B12R0.35 CCC(CO)CNCCCC(C)O 16fb5be26d64a39778f242a95d325e48 [0,3,0,0,0,0|1,0,0]=4 27163 B12R0.35 CCC(COCCCC(=O)C)OC 3f914cb7c18364eeb325b92f2be679e3 [0,3,0,0,0,0|0,0,1]=4 27164 B12R0.35 CCC(COCCCC(C)C)OC 86ce2c89352f961114cf6f4e0980fa18 [0,3,0,0,0,0|0,0,0]=3 27165 B12R0.35 CCC(COCCCN(C)C)OC 857d21140c9b29ef819f94ff36006b3f [0,3,0,0,0,0|1,0,0]=4 27166 B12R0.35 CCC(COCCOC(C)C)OC 4da191588d57b1ec17e59e3aadfac39b [0,3,0,0,0,0|1,0,0]=4 27167 B12R0.35 CCC(COCCSC(C)C)OC f755852def62b99f7ce0c3f3c48ddbcb [0,3,0,0,0,0|1,0,0]=4 27168 B12R0.35 CCN(CC)CCOCCC(C)C bb1a65bf9c860e07e470c4148eea8e6b [0,3,0,0,0,0|1,0,0]=4 27169 B12R0.35 CCN(CC)COCCCC(C)C 297716e79ded6fbfd40b8ef7da006e28 [0,3,0,0,0,0|1,0,0]=4 27170 B12R0.35 COC(CCOCCC(C)C)OC ddfa3b5cd204d028c3c5c0d95d05a4c9 [0,3,0,0,0,0|1,0,0]=4 27171 B12R0.35 COC(COCCCC(C)C)OC 8dae21aa17bc12d67d668e6d2a298da8 [0,3,0,0,0,0|1,0,0]=4 27172 B12R0.150 C=C(CC)COCCCC(C)(C)C 76ec9044a20e97e3036b37a9f0c7fa89 [0,3,0,0,0,0|0,0,1]=4 27173 B12R0.150 CC(C)(C)CCCOCC(O)CO 5c8e93589ada43316a6270e728b4c519 [0,3,0,0,0,0|1,0,0]=4 27174 B12R0.150 CC(C)(C)CCCOC[C@@H](O)CO e121120463277216051b89094e17e886 [0,3,0,0,0,0|1,0,0]=4 27175 B12R0.150 CC(C)(C)CCCOC[C@H](O)CO 660a35d0a3b4e7631f60f28d30a32161 [0,3,0,0,0,0|1,0,0]=4 27176 B12R0.150 CC(C)(O)CCCOCC(Br)CBr e0f749f1041a895332350851fe793746 [0,3,0,0,0,0|1,0,0]=4 27177 B12R0.150 CC(C)(O)CCCOCC(Cl)CCl 33883319d85e9329d993a429402962d2 [0,3,0,0,0,0|1,0,0]=4 27178 B12R0.150 CC(C)(O)CCCOCC(S)CS d0959bbf91f41ddf718ecf39f0a44dcc [0,3,0,0,0,0|1,0,0]=4 27179 B12R0.150 CC(F)(F)CCCOCC(Br)CBr 9dd1d766e976c4e89fb6f80960b1f0cd [0,3,0,0,0,0|1,0,0]=4 27180 B12R0.150 CC(F)(F)CCCOCC(Cl)CCl ca4f7782a7ea80f8672b1145df183cba [0,3,0,0,0,0|1,0,0]=4 27181 B12R0.150 CC(F)(F)CCCOCC(S)CS c0e8b066d34a0fb88d0c25c636cf14ec [0,3,0,0,0,0|1,0,0]=4 27182 B12R0.150 CCC(=O)COCCCC(C)(C)C b2b9dd7b908bb05da524167fd2d3b94e [0,3,0,0,0,0|0,0,1]=4 27183 B12R0.150 CCC(=O)COCCCC(C)(C)O 7df0a33e4c38b416ea92f4fa65e2ae52 [0,3,0,0,0,0|0,0,1]=4 27184 B12R0.150 CCC(=O)COCCCC(C)(F)F d8ff87e4da7448dbdce9bbf1c191fe61 [0,3,0,0,0,0|0,0,1]=4 27185 B12R0.150 CCC(C)CCNCCC(C)(C)C a458640666ae6351a3dc7f6f6e8be810 [0,3,0,0,0,0|1,0,0]=4 27186 B12R0.150 CCC(C)CCNCCC(C)(C)F 3a7bc0fa3c8dff0369a38c0bc1ee928f [0,3,0,0,0,0|1,0,0]=4 27187 B12R0.150 CCC(C)CCNCCC(C)(C)O 6e765e51dc23b20ea8bd65e545b0c629 [0,3,0,0,0,0|1,0,0]=4 27188 B12R0.150 CCC(C)CCNCCC(C)(F)F 4e7b26c2cd8381efc0df969516cbca7d [0,3,0,0,0,0|1,0,0]=4 27189 B12R0.150 CCC(C)CCOCCC(C)(C)C 3d0bf1754a8fcde776616bbda4b996f1 [0,3,0,0,0,0|0,0,0]=3 27190 B12R0.150 CCC(C)CCOCCC(C)(C)O a139f312af03a7235f3471004e6ee1d9 [0,3,0,0,0,0|0,0,0]=3 27191 B12R0.150 CCC(C)CCOCCC(C)(C)S e1652accdedfee6b1d5cb4f8576d7e5b [0,3,0,0,0,0|0,0,0]=3 27192 B12R0.150 CCC(C)CCOCCC(C)(F)F 01f6b066fcf633f198b5efa3107f82e3 [0,3,0,0,0,0|0,0,0]=3 27193 B12R0.150 CCC(C)CCOCCC(F)(F)F 6ba3c8afd5ca931861050fca09bbc494 [0,3,0,0,0,0|1,0,0]=4 27194 B12R0.150 CCC(C)CCOCCS(=N)(=O)C d359886fa8f80bee35b13abe76e70324 [0,3,0,0,0,0|1,0,0]=4 27195 B12R0.150 CCC(C)CCOCCS(=O)(=O)C 6c642df15d43c44fc43a084867ed4b28 [0,3,0,0,0,0|1,0,0]=4 27196 B12R0.150 CCC(C)CNCCCC(C)(C)C 77c0fa987c302fa36eb56bc358b37780 [0,3,0,0,0,0|1,0,0]=4 27197 B12R0.150 CCC(C)CNCCCC(C)(C)O 96e41c51997c01cb8e617878c4c1efce [0,3,0,0,0,0|1,0,0]=4 27198 B12R0.150 CCC(C)CNCCCC(C)(F)F 33500c5971af372ce8b2a4bf1f7f5861 [0,3,0,0,0,0|1,0,0]=4 27199 B12R0.150 CCC(C)COCCCC(C)(C)C 7f08f527fea8b0f613947e134b45a06e [0,3,0,0,0,0|0,0,0]=3 27200 B12R0.150 CCC(C)COCCCC(C)(C)O 202f40e695287aacf5c83855191ce4c2 [0,3,0,0,0,0|0,0,0]=3 27201 B12R0.150 CCC(C)COCCCC(C)(F)F fa39f751a8c148e089cd2a1f035a85c6 [0,3,0,0,0,0|0,0,0]=3 27202 B12R0.150 CCC(C)COCCCC(F)(F)F 1a97c2a5ed3965b7b448cb8b5ea7e688 [0,3,0,0,0,0|1,0,0]=4 27203 B12R0.150 CCC(C)COCCCS(=O)(=O)C a1e9c51dc2ad04b29b675939ed1ee75a [0,3,0,0,0,0|1,0,0]=4 27204 B12R0.150 CCC(C)COCCOC(C)(C)C 6e88781f743ea0f73fd5460d3e43d42f [0,3,0,0,0,0|1,0,0]=4 27205 B12R0.150 CCC(C)COCCSC(C)(C)C 46a63113adfafaa7ba1d8855c5bf595a [0,3,0,0,0,0|1,0,0]=4 27206 B12R0.150 CCC(O)CNCCCC(C)(C)C 20a5a31834e2b91e0d51dffd91996749 [0,3,0,0,0,0|1,0,0]=4 27207 B12R0.150 CCC(O)CNCCCC(C)(C)O 7da62cfe0ee881a1e0d84e4ba4cbe3e7 [0,3,0,0,0,0|1,0,0]=4 27208 B12R0.150 CCC(O)CNCCCC(C)(F)F 5e5f63f78ab41690791edc328de9dacf [0,3,0,0,0,0|1,0,0]=4 27209 B12R0.150 CCC(S)CCOCCC(C)(C)C 8469585708bfde367cb6b540a3292088 [0,3,0,0,0,0|0,0,0]=3 27210 B12R0.150 CCC(S)CCOCCC(C)(C)O 990717c788dec8c1920ae146b2c82f41 [0,3,0,0,0,0|0,0,0]=3 27211 B12R0.150 CCC(S)CCOCCC(C)(F)F a91a1daa8403dff63e31a2aef59535cd [0,3,0,0,0,0|0,0,0]=3 27212 B12R0.150 CCC(S)CCOCCC(F)(F)F f4d704b6d843a2b56ec788e4f0a26b73 [0,3,0,0,0,0|1,0,0]=4 27213 B12R0.150 CCC(S)CCOCCS(=O)(=O)C b3768de0ea466680f2af3f8b3646aee1 [0,3,0,0,0,0|1,0,0]=4 27214 B12R0.150 CCS(=O)CCOCCC(C)(C)C 1ac49d2e2bbe847c82b56ee2316abaef [0,3,0,0,0,0|1,0,0]=4 27215 B12R0.150 CCS(=O)CCOCCC(C)(C)S 8938875cf9fc657deac889c7ea5c294a [0,3,0,0,0,0|1,0,0]=4 27216 B12R0.150 CCS(=O)CCOCCC(C)(F)F 8f16acaa46def20fc3b243b320af5af2 [0,3,0,0,0,0|1,0,0]=4 27217 B12R0.150 CC[C@@H](C)CNCCCC(C)(C)C e2d67fdc18bfb967a5aec87cdea8e8e4 [0,3,0,0,0,0|1,0,0]=4 27218 B12R0.150 CC[C@@H](C)CNCCCC(C)(C)O bf9d009ca74d1afdfffdeba146f76365 [0,3,0,0,0,0|1,0,0]=4 27219 B12R0.150 CC[C@@H](C)COCCCC(C)(C)C 05bb3cacbe96b380b534bb9a44c94be1 [0,3,0,0,0,0|0,0,0]=3 27220 B12R0.150 CC[C@@H](C)COCCCC(C)(C)O 458307ef28551ac6b713223945389c21 [0,3,0,0,0,0|0,0,0]=3 27221 B12R0.150 CC[C@@H](C)COCCCC(C)(F)F 03664b718d725f56b6b5df30fb6a2e79 [0,3,0,0,0,0|0,0,0]=3 27222 B12R0.150 CC[C@@H](C)COCCCC(F)(F)F bdf5bfef5400e5f6bded867de0c12b47 [0,3,0,0,0,0|1,0,0]=4 27223 B12R0.150 CC[C@@H](C)COCCCS(=O)(=O)C 6550dd4d33bc09c9d9f244bfc3634be6 [0,3,0,0,0,0|1,0,0]=4 27224 B12R0.150 CC[C@@H](C)COCCOC(C)(C)C d0ee9c663885779889d57ad8df5f1875 [0,3,0,0,0,0|1,0,0]=4 27225 B12R0.150 CC[C@@H](C)COCCSC(C)(C)C eed461c4081dd758c05c7978802665f2 [0,3,0,0,0,0|1,0,0]=4 27226 B12R0.150 CC[C@@H](O)CNCCCC(C)(C)O 5baa7d4324443f65128a9a190cd81fe8 [0,3,0,0,0,0|1,0,0]=4 27227 B12R0.150 CC[C@@H](O)CNCCCC(C)(F)F c2a76d296edf863bf4831b0ee2b383d9 [0,3,0,0,0,0|1,0,0]=4 27228 B12R0.150 CC[C@H](C)CCOCCC(C)(C)C 88b0e58d6f36b63e9307c063fd5c21c0 [0,3,0,0,0,0|0,0,0]=3 27229 B12R0.150 CC[C@H](C)CCOCCC(C)(C)O 6ea35dab0cc7473c7baae99153e029dc [0,3,0,0,0,0|0,0,0]=3 27230 B12R0.150 CC[C@H](C)CCOCCC(C)(F)F 86730c4e063d82e18f52fefdd97c388c [0,3,0,0,0,0|0,0,0]=3 27231 B12R0.150 CC[C@H](C)CCOCCC(F)(F)F abf7385adc85799644b3bff163846476 [0,3,0,0,0,0|1,0,0]=4 27232 B12R0.150 CC[C@H](C)CCOCCS(=O)(=O)C 95bfa54d273a073739216d311682e99c [0,3,0,0,0,0|1,0,0]=4 27233 B12R0.150 CC[C@H](C)CNCCCC(C)(C)C 02999ca5cd4b2e97ca9c949531e45977 [0,3,0,0,0,0|1,0,0]=4 27234 B12R0.150 CC[C@H](C)CNCCCC(C)(C)O cfdecc4ac41bdc9f631a937c5c25cdce [0,3,0,0,0,0|1,0,0]=4 27235 B12R0.150 CC[C@H](C)CNCCCC(C)(F)F 8f732e00665acfb6a7d70b8b1e680233 [0,3,0,0,0,0|1,0,0]=4 27236 B12R0.150 CC[C@H](C)COCCCC(C)(C)C 156a1cee4ff19d2b98820329583206e9 [0,3,0,0,0,0|0,0,0]=3 27237 B12R0.150 CC[C@H](C)COCCCC(C)(C)O 133666c72d372c907b23430bf4b14dc3 [0,3,0,0,0,0|0,0,0]=3 27238 B12R0.150 CC[C@H](C)COCCCC(C)(F)F 16bf79d2c36f918acd4f82455de804df [0,3,0,0,0,0|0,0,0]=3 27239 B12R0.150 CC[C@H](C)COCCCC(F)(F)F 442672277fb1ab2c402427c7eb24f334 [0,3,0,0,0,0|1,0,0]=4 27240 B12R0.150 CC[C@H](C)COCCCS(=O)(=O)C 6a610c1fe2566596a61afc1ffc09211f [0,3,0,0,0,0|1,0,0]=4 27241 B12R0.150 CC[C@H](C)COCCOC(C)(C)C 3515f00a4d3a8ccb6b97aaff7cf4df4b [0,3,0,0,0,0|1,0,0]=4 27242 B12R0.150 CC[C@H](C)COCCSC(C)(C)C 7a5872c25a4a3b822fb8187806e04118 [0,3,0,0,0,0|1,0,0]=4 27243 B12R0.150 COC(C)CCOCCC(C)(C)C 62401db89f569be3fd2b7031c2b3f606 [0,3,0,0,0,0|1,0,0]=4 27244 B12R0.150 COC(C)CCOCCC(C)(C)O d99a1f7d6304e45e1dc443f006640824 [0,3,0,0,0,0|1,0,0]=4 27245 B12R0.150 COC(C)CCOCCC(C)(F)F a8eb6c6c44a95af8929107366d5b4442 [0,3,0,0,0,0|1,0,0]=4 27246 B12R0.150 COC(C)COCCCC(C)(C)C 087d8165d931a61b626e7f5069a4d45d [0,3,0,0,0,0|1,0,0]=4 27247 B12R0.150 COC(C)COCCCC(C)(C)O c1ff7d84d59ce736d640d6b9973b2871 [0,3,0,0,0,0|1,0,0]=4 27248 B12R0.150 COC(C)COCCCC(C)(F)F 43c85c547165636782839327d8609d08 [0,3,0,0,0,0|1,0,0]=4 27249 B12R0.150 CO[C@@H](C)COCCCC(C)(C)C bfd0a350f375b9a843e4871b68d27182 [0,3,0,0,0,0|1,0,0]=4 27250 B12R0.150 CO[C@@H](C)COCCCC(C)(C)O 5d07c347248de20edd771df736be72f7 [0,3,0,0,0,0|1,0,0]=4 27251 B12R0.150 CO[C@@H](C)COCCCC(C)(F)F a6db120d23a9d6f51c6028a6830382b2 [0,3,0,0,0,0|1,0,0]=4 27252 B12R0.150 CO[C@H](C)COCCCC(C)(C)C 20988485d0fe6990414bea4f2291e993 [0,3,0,0,0,0|1,0,0]=4 27253 B12R0.150 CO[C@H](C)COCCCC(C)(C)O 1e9a1885fadca9fa5d861ca42601c594 [0,3,0,0,0,0|1,0,0]=4 27254 B12R0.150 CO[C@H](C)COCCCC(C)(F)F f854a6092c44aa5031cd8a06653d2959 [0,3,0,0,0,0|1,0,0]=4 27255 B12R0.210 C=C(C)CCCOCC(F)(F)CC 62956ba8f2a6ec5040baa42c32ddd3d8 [0,3,0,0,0,0|0,0,1]=4 27256 B12R0.210 C=C(C)CCOCCC(C)(C)CC 2ac03347d54ad8feb96f801893f8c52f [0,3,0,0,0,0|0,0,1]=4 27257 B12R0.210 CC(C)CCCOCC(C)(C)CF a24f44d47e3ea6f8327db010e98869b6 [0,3,0,0,0,0|1,0,0]=4 27258 B12R0.210 CCC(C)(C)CCNCCC(C)C 22d28e354c305e27517c65dac35a6295 [0,3,0,0,0,0|1,0,0]=4 27259 B12R0.210 CCC(C)(C)CCNCCC(C)O fbedf95e051d7824517cfdbb5acfcbe2 [0,3,0,0,0,0|1,0,0]=4 27260 B12R0.210 CCC(C)(C)CCNCC[C@@H](C)O 2aa1594f13fb7d606b6fd1b30f49cd0e [0,3,0,0,0,0|1,0,0]=4 27261 B12R0.210 CCC(C)(C)CCNCC[C@H](C)O 9ad5ec6fbd65bee740ccf84ffceef6a1 [0,3,0,0,0,0|1,0,0]=4 27262 B12R0.210 CCC(C)(C)CCOCCC(=O)C e8799c42a4294ad2b3ae07f14e076d5c [0,3,0,0,0,0|0,0,1]=4 27263 B12R0.210 CCC(C)(C)CCOCCC(C)C 37c1a082e9ec3444001dc9c8b674dbe8 [0,3,0,0,0,0|0,0,0]=3 27264 B12R0.210 CCC(C)(C)CCOCCC(F)F 24aa645ac190e7cbc1e52881816a9aed [0,3,0,0,0,0|1,0,0]=4 27265 B12R0.210 CCC(C)(C)CCOCCN(C)C 49331f88eaa3081083790f68f882a300 [0,3,0,0,0,0|1,0,0]=4 27266 B12R0.210 CCC(C)(C)CCOCCS(=O)C 96d8e80e2660962e69e20e6c8b86fe0c [0,3,0,0,0,0|1,0,0]=4 27267 B12R0.210 CCC(C)(C)CNCCCC(C)C d6a65a6014b3349f882835b340e5d19a [0,3,0,0,0,0|1,0,0]=4 27268 B12R0.210 CCC(C)(C)CNCCCC(C)O 6140b2f7e8d91c8baf90ee3b12e8c8c4 [0,3,0,0,0,0|1,0,0]=4 27269 B12R0.210 CCC(C)(O)CNCCCC(C)C 56834e4fbcb35458f0f17c7e72f6485d [0,3,0,0,0,0|1,0,0]=4 27270 B12R0.210 CCC(C)(O)CNCCCC(C)O 69e257d2988a663608c756c5a7a772d0 [0,3,0,0,0,0|1,0,0]=4 27271 B12R0.210 CCC(F)(F)COCCCC(=O)C 2f73faf6d1d55ea9fb9dd9c3d12ce476 [0,3,0,0,0,0|0,0,1]=4 27272 B12R0.210 CCC(F)(F)COCCCC(C)C 338d0392835e83c4ba575c097dac854c [0,3,0,0,0,0|0,0,0]=3 27273 B12R0.210 CCC(F)(F)COCCCN(C)C 92cffaffc3b149df45425d476c8117cc [0,3,0,0,0,0|1,0,0]=4 27274 B12R0.210 CCC(F)(F)COCCOC(C)C f00cbdb12e60928d94ad4ac8a379d6ed [0,3,0,0,0,0|1,0,0]=4 27275 B12R0.210 CCC(F)(F)COCCSC(C)C 2c7a3a3f59eff7232cbefe98e6cfd416 [0,3,0,0,0,0|1,0,0]=4 27276 B12R0.210 CCS(=O)(=O)CCOCCC(C)C c3a79c81e9a804728d0f1cc1f1cdaa72 [0,3,0,0,0,0|1,0,0]=4 27277 B12R0.210 CCS(=O)(=O)COCCCC(C)C 6ab4988f9acba01ba64bd355f6ddd3bf [0,3,0,0,0,0|1,0,0]=4 27278 B12R0.210 COC(C)(C)CCOCCC(C)C e6df4ef44ef540d54b86291f90377803 [0,3,0,0,0,0|1,0,0]=4 27279 B12R0.210 COC(C)(C)COCCCC(C)C fbc73cfd1b702eed55178261956815a9 [0,3,0,0,0,0|1,0,0]=4 27280 B12R0.240 CCC(C)CC(C)NCCC(C)C f640b824b2e0efc2a32fca0154249949 [0,3,0,0,0,0|1,0,0]=4 27281 B12R0.240 CCC(C)CC(C)NCCC(C)O 65ff3553dcb788603ec845686c05c658 [0,3,0,0,0,0|1,0,0]=4 27282 B12R0.240 CCC(O)CN(C)CCCC(C)C da0254da84d6f0a715f8ea865d49f5a6 [0,3,0,0,0,0|1,0,0]=4 27283 B12R0.240 CCC(O)CN(C)CCCC(C)O f4e51be93501f19e1ef84065d0c9d1e0 [0,3,0,0,0,0|1,0,0]=4 27284 B12R0.240 COC(C)CC(C)OCCC(C)C 69b5228b24126efdffcef139c9d1bbad [0,3,0,0,0,0|1,0,0]=4 27285 B12R0.104 CCCCC(C)NCCC(C)(C)C 0a795186ab9173b70060ef4480eb3a3c [0,3,0,0,0,0|1,0,0]=4 27286 B12R0.104 CCCCC(C)NCCC(C)(C)F 06531de35377655715de70a6cd1b9b47 [0,3,0,0,0,0|1,0,0]=4 27287 B12R0.104 CCCCC(C)NCCC(C)(C)O e476afd59b055239df046fd3266ca3de [0,3,0,0,0,0|1,0,0]=4 27288 B12R0.104 CCCCC(C)NCCC(C)(F)F 7d28f5ee900ac3134240e52e3871b03d [0,3,0,0,0,0|1,0,0]=4 27289 B12R0.104 CCCCC(C)OCCC(C)(C)C d4796021ab605a1e7f8e80c48d1c39d5 [0,3,0,0,0,0|0,0,0]=3 27290 B12R0.104 CCCCC(C)OCCC(C)(C)O 74f2468bfae219cfd8c41b6278979ff5 [0,3,0,0,0,0|0,0,0]=3 27291 B12R0.104 CCCCC(C)OCCC(C)(C)S d2e2e7c3888096f1adc0f6f397d5a5b5 [0,3,0,0,0,0|0,0,0]=3 27292 B12R0.104 CCCCC(C)OCCC(C)(F)F 356bfaa7ef9714de90005160a24041fb [0,3,0,0,0,0|0,0,0]=3 27293 B12R0.104 CCCCC(C)OCCC(F)(F)F c7461459dcd780e03f5ed1eb43061a96 [0,3,0,0,0,0|1,0,0]=4 27294 B12R0.104 CCCCC(C)OCCS(=N)(=O)C 54f07e57cf7a603a320666955fe8a8ea [0,3,0,0,0,0|1,0,0]=4 27295 B12R0.104 CCCCC(C)OCCS(=O)(=O)C e6b8f6ce2e9a3590e2a73cb6b88ad24d [0,3,0,0,0,0|1,0,0]=4 27296 B12R0.104 CCCCN(C)CCCC(C)(C)O 10132dc0ee4e4b4e89f1acaeaddd3fc7 [0,3,0,0,0,0|1,0,0]=4 27297 B12R0.104 CCCCN(C)CCCC(C)(F)F 082671b210a062b09f855d886650e1db [0,3,0,0,0,0|1,0,0]=4 27298 B12R0.104 CCCC[C@@H](C)NCCC(C)(C)C bff863de76cc659ec22184d8746f3fe9 [0,3,0,0,0,0|1,0,0]=4 27299 B12R0.104 CCCC[C@@H](C)NCCC(C)(C)O e6b09988fe1a7fcab9db996d50d1290f [0,3,0,0,0,0|1,0,0]=4 27300 B12R0.104 CCCC[C@@H](C)NCCC(C)(F)F cf3593a87121c0942f4a380fd2ab99a9 [0,3,0,0,0,0|1,0,0]=4 27301 B12R0.104 CCCC[C@@H](C)OCCC(C)(C)C cf3283f9f2a04fdd0bf8753cc1f9c408 [0,3,0,0,0,0|0,0,0]=3 27302 B12R0.104 CCCC[C@@H](C)OCCC(C)(C)O dcc954c71bbb70533b108bbfc24bc160 [0,3,0,0,0,0|0,0,0]=3 27303 B12R0.104 CCCC[C@@H](C)OCCC(C)(F)F 1f4535fa2cd2c5cf76e0be4c07be1c68 [0,3,0,0,0,0|0,0,0]=3 27304 B12R0.104 CCCC[C@@H](C)OCCC(F)(F)F 662dfe1aa56fb0f6fda4d3e00f7e20fc [0,3,0,0,0,0|1,0,0]=4 27305 B12R0.104 CCCC[C@@H](C)OCCS(=O)(=O)C 81dfec987abec1e81cf1d3b42a78c57b [0,3,0,0,0,0|1,0,0]=4 27306 B12R0.104 CCCC[C@H](C)OCCC(C)(C)C c80dc636753193633f1d75436515a9ce [0,3,0,0,0,0|0,0,0]=3 27307 B12R0.104 CCCC[C@H](C)OCCC(C)(C)O bd5b37eeef591ab5d780692412c05cf5 [0,3,0,0,0,0|0,0,0]=3 27308 B12R0.104 CCCC[C@H](C)OCCC(C)(F)F 195296ea6d16e144d477b09304ca948f [0,3,0,0,0,0|0,0,0]=3 27309 B12R0.104 CCCC[C@H](C)OCCC(F)(F)F c9352cf523b5968532888320cc764b16 [0,3,0,0,0,0|1,0,0]=4 27310 B12R0.104 CCCC[C@H](C)OCCS(=O)(=O)C fd7f255a43c96753163fe4e1953e15c4 [0,3,0,0,0,0|1,0,0]=4 27311 B12R0.104 CCOCC(C)OCCC(C)(C)C c2a5e22bcaf77683f18f8ef1cb264443 [0,3,0,0,0,0|1,0,0]=4 27312 B12R0.104 CCOCC(C)OCCC(C)(C)O 1e95850f06e4535a59ee6a58019aac51 [0,3,0,0,0,0|1,0,0]=4 27313 B12R0.104 CCOCC(C)OCCC(C)(F)F d3b40c7596af27516095d0fda98021e6 [0,3,0,0,0,0|1,0,0]=4 27314 B12R0.104 COCCC(C)OCCC(C)(C)C 6ed4f0e9d8258a850cacebb88efaaacf [0,3,0,0,0,0|1,0,0]=4 27315 B12R0.104 COCCC(C)OCCC(C)(C)O 8bed342507edcf3ad5a86bd203de3c72 [0,3,0,0,0,0|1,0,0]=4 27316 B12R0.104 COCCC(C)OCCC(C)(F)F 96065f39239f1b996b4e1b9f42b13347 [0,3,0,0,0,0|1,0,0]=4 27317 B12R0.104 CSCCC(C)OCCC(C)(C)C 85f7a63d736b4b3bd12e5025177cb67b [0,3,0,0,0,0|1,0,0]=4 27318 B12R0.104 CSCCC(C)OCCC(C)(C)O cf613de61d5b04f34512b42815a03633 [0,3,0,0,0,0|1,0,0]=4 27319 B12R0.104 CSCCC(C)OCCC(C)(F)F 76958edd9686428b31c0095ec188743a [0,3,0,0,0,0|1,0,0]=4 27320 B12R0.233 C=C(C)CCCN(C)CCCCC ab4de516041800383dd3016d549a9d9e [0,3,0,0,0,0|1,0,0]=4 27321 B12R0.233 C=C(C)CCOC(C)CCCCC 2438f845345f1eda423c2ed340b482e5 [0,3,0,0,0,0|0,0,1]=4 27322 B12R0.233 C=C(C)CCOC(C)COCCC 31f2bc31ed6fbb3694950caa3169ac11 [0,3,0,0,0,0|0,0,1]=4 27323 B12R0.233 C=C(C)CCO[C@@H](C)CCCCC c4731d5080d962ab01b0e5f9fecf5c59 [0,3,0,0,0,0|0,0,1]=4 27324 B12R0.233 C=C(C)CCO[C@H](C)CCCCC 383341a6a16f8dcf0d4ea5f6a231a77e [0,3,0,0,0,0|0,0,1]=4 27325 B12R0.233 C=CCCC[C@H](C)OCCC(C)C 649d5e6904f9aad990577a3a1cdd0aaa [0,3,0,0,0,0|0,0,1]=4 27326 B12R0.233 CC(C)CCCC(C)OCCCF ae8f610252d24c9fcb6da1be19d3f40d [0,3,0,0,0,0|1,0,0]=4 27327 B12R0.233 CC(C)CCCC(C)OCCCS 113b4d0ae80433eb3074e4b09e43542f [0,3,0,0,0,0|1,0,0]=4 27328 B12R0.233 CC(C)CCCN(C)CCCCO dc1b3894b59875ada612f6858a32bf8a [0,3,0,0,0,0|1,0,0]=4 27329 B12R0.233 CC(C)CCNC(C)CCCCO 09c1c7255998d52bab2956af5669aa67 [0,3,0,0,0,0|1,0,0]=4 27330 B12R0.233 CC(CCCCO)NCC[C@@H](C)O 69594aa1b174d1c17f9410f90dba3020 [0,3,0,0,0,0|1,0,0]=4 27331 B12R0.233 CC(CCCCO)NCC[C@H](C)O b03eacbddb8430f67667efc561fdf29c [0,3,0,0,0,0|1,0,0]=4 27332 B12R0.233 CC(O)CCCN(C)CCCCO e866d7a3b3866a2cfb655dd28768d2b5 [0,3,0,0,0,0|1,0,0]=4 27333 B12R0.233 CC(O)CCNC(C)CCCCO a5c82c0662b5602127d01b768afb4066 [0,3,0,0,0,0|1,0,0]=4 27334 B12R0.233 CCC#CCC(C)OCCC(C)C 8956abd3347b671edcff0c5fd3c1038f [0,3,0,0,0,0|0,0,1]=4 27335 B12R0.233 CCCCCC(=O)CNCC(C)C 2f8ffa9b1e7428d9610d9c9792423e52 [0,3,0,0,0,0|1,0,0]=4 27336 B12R0.233 CCCCCC(=O)CNCC(C)O 012939746f6c712e197753ac51a73d9d [0,3,0,0,0,0|1,0,0]=4 27337 B12R0.233 CCCCCC(=O)CNC[C@@H](C)O 11934f2fa4def43b1c8c12b6e829769d [0,3,0,0,0,0|1,0,0]=4 27338 B12R0.233 CCCCCC(=O)CNC[C@H](C)O ba9723e47ea22a6cb62220419ddd73bb [0,3,0,0,0,0|1,0,0]=4 27339 B12R0.233 CCCCCC(=O)COCC(C)C 27a79f1baef076d63996803cc7e04320 [0,3,0,0,0,0|1,0,0]=4 27340 B12R0.233 CCCCCC(=O)COCC(C)F 07c33e7926fc3f18be8b324331a95be7 [0,3,0,0,0,0|1,0,0]=4 27341 B12R0.233 CCCCCC(=O)COCC(C)S a1bdb1347817d41c37ec8c262f65572a [0,3,0,0,0,0|1,0,0]=4 27342 B12R0.233 CCCCCC(=O)COC[C@@H](C)F a11d35a37c461d9d94e44d6538df4622 [0,3,0,0,0,0|1,0,0]=4 27343 B12R0.233 CCCCCC(=O)COC[C@H](C)F 13fd6134054a0b7442b429e1b0e42b07 [0,3,0,0,0,0|1,0,0]=4 27344 B12R0.233 CCCCCC(=O)NCCC(C)C de5d4775851c3f556e0a37cd69bd6694 [0,3,0,0,0,0|1,0,0]=4 27345 B12R0.233 CCCCCC(=O)NCCC(C)O 7f60771b66ae1bec642b09c0c06b499c [0,3,0,0,0,0|1,0,0]=4 27346 B12R0.233 CCCCCC(=O)NCC[C@@H](C)O f61ba65d8dcacaf44bfbb83aa992ca7d [0,3,0,0,0,0|1,0,0]=4 27347 B12R0.233 CCCCCC(=O)NCC[C@H](C)O c876e519826877ab888e09489622daa0 [0,3,0,0,0,0|1,0,0]=4 27348 B12R0.233 CCCCCC(=O)OCOC(C)C 90c7ba95c11a934d21db25600c8d1a97 [0,3,0,0,0,0|1,0,0]=4 27349 B12R0.233 CCCCCC(C)COCC(C)C 4213359448123f51d56b792ddcbbd57d [0,3,0,0,0,0|1,0,0]=4 27350 B12R0.233 CCCCCC(C)NCCC(C)C 750f4c42b3a29cd4c1925fc5a4f77d78 [0,3,0,0,0,0|1,0,0]=4 27351 B12R0.233 CCCCCC(C)NCCC(C)O 2e8f135b250c8d8032391c08c421d774 [0,3,0,0,0,0|1,0,0]=4 27352 B12R0.233 CCCCCC(C)NCC[C@@H](C)O 5158f540596738c6e4340c80c5703ec9 [0,3,0,0,0,0|1,0,0]=4 27353 B12R0.233 CCCCCC(C)NCC[C@H](C)O 8d4cacde00c91428fc1db84e559ed2eb [0,3,0,0,0,0|1,0,0]=4 27354 B12R0.233 CCCCCC(C)OCCC(=O)C 49212f27a69ad4babeadaa822182164c [0,3,0,0,0,0|0,0,1]=4 27355 B12R0.233 CCCCCC(C)OCCC(C)C c52701f546739edbc5422405b5075256 [0,3,0,0,0,0|0,0,0]=3 27356 B12R0.233 CCCCCC(C)OCCC(F)F 127e4701095b661fb45fe91393ea6b85 [0,3,0,0,0,0|1,0,0]=4 27357 B12R0.233 CCCCCC(C)OCCN(C)C 339bb6f086d32968db555b2a2fd922d4 [0,3,0,0,0,0|1,0,0]=4 27358 B12R0.233 CCCCCC(C)OCCS(=O)C a28f85c40aa4985b5faead7afa3ce21c [0,3,0,0,0,0|1,0,0]=4 27359 B12R0.233 CCCCCC(C)OCOC(C)C 8171ecca13377b30a6d0ab81989940ed [0,3,0,0,0,0|1,0,0]=4 27360 B12R0.233 CCCCCN(C)CCCC(=O)C da826910ffd9c9e43bc3128cc3be90cf [0,3,0,0,0,0|1,0,0]=4 27361 B12R0.233 CCCCCN(C)CCCC(C)C af6a5e882550c1acfc13ccaa9700ce94 [0,3,0,0,0,0|1,0,0]=4 27362 B12R0.233 CCCCCN(C)CCCC(C)O 3b86c2a7a57e43106e61c7cf0aa9d471 [0,3,0,0,0,0|1,0,0]=4 27363 B12R0.233 CCCCCN(C)CCCN(C)C 35bc67c09db5c62861b06ee3b5be94de [0,3,0,0,0,0|1,0,0]=4 27364 B12R0.233 CCCCCN(C)CCOC(C)C 396ed03bc753a526e332ac872b6eda96 [0,3,0,0,0,0|1,0,0]=4 27365 B12R0.233 CCCCC[C@@H](C)OCCC(=O)C 1e961630be852b4f9db98793735eca13 [0,3,0,0,0,0|0,0,1]=4 27366 B12R0.233 CCCCC[C@@H](C)OCCC(C)C b605bfe2311a91cb1ab8ad3b09e7b3bc [0,3,0,0,0,0|0,0,0]=3 27367 B12R0.233 CCCCC[C@@H](C)OCCN(C)C 0f5b82b371ff79fce453a35f039a7867 [0,3,0,0,0,0|1,0,0]=4 27368 B12R0.233 CCCCC[C@@H](C)OCCS(=O)C 2154d947aaea8c06c10de2ff7a562b56 [0,3,0,0,0,0|1,0,0]=4 27369 B12R0.233 CCCCC[C@@H](C)OCOC(C)C 44ac6a70b56b0bf677af8794d73db56a [0,3,0,0,0,0|1,0,0]=4 27370 B12R0.233 CCCCC[C@H](C)NCCC(C)C efc4dbe7809670f31d0f38fe2cfaeb29 [0,3,0,0,0,0|1,0,0]=4 27371 B12R0.233 CCCCC[C@H](C)NCCC(C)O 88c87c0426ba48940da6e5a34b3f661f [0,3,0,0,0,0|1,0,0]=4 27372 B12R0.233 CCCCC[C@H](C)NCC[C@@H](C)O b1b3fb51506042884954e356c5a7ea41 [0,3,0,0,0,0|1,0,0]=4 27373 B12R0.233 CCCCC[C@H](C)NCC[C@H](C)O 7e31ad5a12d36049f91ba385cea5f0b0 [0,3,0,0,0,0|1,0,0]=4 27374 B12R0.233 CCCCC[C@H](C)OCCC(=O)C cf1bce5f8772a5ffce7117f2be93cad3 [0,3,0,0,0,0|0,0,1]=4 27375 B12R0.233 CCCCC[C@H](C)OCCC(C)C 1fbf45b04ff7ed87d7ca616d67fccaff [0,3,0,0,0,0|0,0,0]=3 27376 B12R0.233 CCCCC[C@H](C)OCCC(F)F d69d84a94da5d2645aa09e6ac0508ab0 [0,3,0,0,0,0|1,0,0]=4 27377 B12R0.233 CCCCC[C@H](C)OCCN(C)C ab36cd51c1aeb99ffe445a3f7b0d1e81 [0,3,0,0,0,0|1,0,0]=4 27378 B12R0.233 CCCCC[C@H](C)OCCS(=O)C d8691ff9001f6146b9bdd4c7ba86349b [0,3,0,0,0,0|1,0,0]=4 27379 B12R0.233 CCCCC[C@H](C)OCOC(C)C a49b3b416b1c04cb2b74b16070f7b832 [0,3,0,0,0,0|1,0,0]=4 27380 B12R0.233 CCCCNC(=O)CCCC(C)C 0965007a9c047a85020048af373a262d [0,3,0,0,0,0|1,0,0]=4 27381 B12R0.233 CCCCNC(C)CCCC(C)C eb1f0ffa228decb3594aa9690902d413 [0,3,0,0,0,0|1,0,0]=4 27382 B12R0.233 CCCCOC(=O)CNCC(C)C 18ee55af0f5e4989b08d6d06dff65834 [0,3,0,0,0,0|0,0,1]=4 27383 B12R0.233 CCCCOC(=O)CNCC(C)O e31095043326ff1f034c6d97b8a36176 [0,3,0,0,0,0|0,0,1]=4 27384 B12R0.233 CCCCOC(=O)CNC[C@@H](C)O a60b467e49e79ebbd8201726798bd9ed [0,3,0,0,0,0|0,0,1]=4 27385 B12R0.233 CCCCOC(=O)CNC[C@H](C)O a3e068166a55bd53eb4370905e132015 [0,3,0,0,0,0|0,0,1]=4 27386 B12R0.233 CCCCOC(=O)COCC(C)C 2b79ec7d20e1e6de673410cca3ca7180 [0,3,0,0,0,0|0,0,1]=4 27387 B12R0.233 CCCCOC(=O)COCC(C)F 2ee0c43a6a4983bfd92aed42ec3ab0ed [0,3,0,0,0,0|0,0,1]=4 27388 B12R0.233 CCCCOC(=O)COCC(C)S fcf8725913a2d8f95bbe8918650f0db6 [0,3,0,0,0,0|0,0,1]=4 27389 B12R0.233 CCCCOC(=O)COC[C@@H](C)F 5d7105f32b79d1bed23f4cceddf8694b [0,3,0,0,0,0|0,0,1]=4 27390 B12R0.233 CCCCOC(=O)COC[C@H](C)F 1cd3abb55ed43bac78c45e479ae8fabf [0,3,0,0,0,0|0,0,1]=4 27391 B12R0.233 CCCCOC(C)CCC=C(C)C 039fe26304208e05f81a18117773fe1d [0,3,0,0,0,0|0,0,1]=4 27392 B12R0.233 CCCCOC(C)CCCC(C)C 8330c766083d32e3e679f7fe02d88b09 [0,3,0,0,0,0|0,0,0]=3 27393 B12R0.233 CCCCO[C@@H](C)CCC=C(C)C 6cf4a72a3fbcefa7a6052933eb6195f6 [0,3,0,0,0,0|0,0,1]=4 27394 B12R0.233 CCCCO[C@H](C)CCC=C(C)C 3d853ae70f138a62b5ed83d95c6d10b8 [0,3,0,0,0,0|0,0,1]=4 27395 B12R0.233 CCCOCC(C)OCCC(=O)C e89e395ef7095f352263b526b944fcf7 [0,3,0,0,0,0|0,0,1]=4 27396 B12R0.233 CCCOCC(C)OCCC(C)C 21ac25f6de34fa5e59bce4dc66e00790 [0,3,0,0,0,0|0,0,0]=3 27397 B12R0.233 CCCOCC(C)OCCN(C)C bc02a3a7781ed311adfb82bdbc35e346 [0,3,0,0,0,0|1,0,0]=4 27398 B12R0.233 CCCOCC(C)OCCS(=O)C 46169b944c032dab4331ee04b9db1c62 [0,3,0,0,0,0|1,0,0]=4 27399 B12R0.233 CCCOCC(C)OCOC(C)C f21e87eea09f8383aa0d5c2488939859 [0,3,0,0,0,0|1,0,0]=4 27400 B12R0.233 CCNCCC(C)CCCC(C)C 4ce1ac52ece3866747a9aed47b1a579d [0,3,0,0,0,0|1,0,0]=4 27401 B12R0.233 CCOCCC(C)CCCC(C)C 47419b04183a315d7b2e4ef5c28cd216 [0,3,0,0,0,0|1,0,0]=4 27402 B12R0.233 CCOCCN(C)CCCC(C)C 46197071e23eba54ae099658cba1b1a1 [0,3,0,0,0,0|1,0,0]=4 27403 B12R0.233 CCOCCN(C)CCCC(C)O 2853164d68feb2592e1498a5566f4efc [0,3,0,0,0,0|1,0,0]=4 27404 B12R0.233 CCOCC[C@@H](C)CCCC(C)C f2bdb086e82fdc1e41cfe6ce646a5f3a [0,3,0,0,0,0|1,0,0]=4 27405 B12R0.233 COCCCN(C)CCCC(C)C a67bc6d81fd866a11056185d22e2a150 [0,3,0,0,0,0|1,0,0]=4 27406 B12R0.233 COCCCN(C)CCCC(C)O 3073006f818d9b367ce9004615358521 [0,3,0,0,0,0|1,0,0]=4 27407 B12R0.233 COCCOC(C)CCCC(C)C 0d929250b6a3b88298d262b55ebd048b [0,3,0,0,0,0|1,0,0]=4 27408 B12R0.233 CSCCOC(C)CCCC(C)C 3b3465352ddef3e4e18da56287391d23 [0,3,0,0,0,0|1,0,0]=4 27409 B12R0.254 C#CC(CCCC)OCCC(=C)C df8f673c5ca98e4704a686eabd8b5a9d [0,3,0,0,0,0|0,0,1]=4 27410 B12R0.254 C#CC(CCCC)OCCC(=O)C ccad6690297ac24e3fd4c2df8280e10b [0,3,0,0,0,0|0,0,1]=4 27411 B12R0.254 C#CC(CCCC)OCCC(C)C 431d38bb4269daff93d3a8a673349643 [0,3,0,0,0,0|0,0,0]=3 27412 B12R0.254 C#CC(CCCC)OCCN(C)C faabc14c8d7ca6d9098dd74103a0f96c [0,3,0,0,0,0|1,0,0]=4 27413 B12R0.254 C#CC(CCCC)OCCS(=O)C d0fff86d2f589487d12823a660fffb4b [0,3,0,0,0,0|1,0,0]=4 27414 B12R0.254 C#CC(CCCC)OCOC(C)C 02b5a00fda40d8f32622912a193457e3 [0,3,0,0,0,0|1,0,0]=4 27415 B12R0.254 C=C(C)CCOC(CC)CCCC 6e9ca7ae1a130993f3eed4550d01ac56 [0,3,0,0,0,0|0,0,1]=4 27416 B12R0.254 C=CC(CCCC)OCCC(=C)C f943966c40ead2fbe0a8528164ee8f62 [0,3,0,0,0,0|0,0,1]=4 27417 B12R0.254 C=CC(CCCC)OCCC(=O)C 8a1eb7ba08f92385e39c1e30aa227817 [0,3,0,0,0,0|0,0,1]=4 27418 B12R0.254 C=CC(CCCC)OCCC(C)C b4c37c12c55bf53af31c6b9ef186c264 [0,3,0,0,0,0|0,0,0]=3 27419 B12R0.254 C=CC(CCCC)OCCN(C)C b97d94d14ac72e9ffc87f5b25b571bc7 [0,3,0,0,0,0|1,0,0]=4 27420 B12R0.254 C=CC(CCCC)OCCS(=O)C df80634e6c225e2e15f2983edc9e83f1 [0,3,0,0,0,0|1,0,0]=4 27421 B12R0.254 C=CC(CCCC)OCOC(C)C 0bfa9a4476844dbfc9e0ab388292db83 [0,3,0,0,0,0|1,0,0]=4 27422 B12R0.254 CCCCC(CC)NCCC(C)C 2f0779ac29f45d66200393cf5ca2e406 [0,3,0,0,0,0|1,0,0]=4 27423 B12R0.254 CCCCC(CC)NCCC(C)O 9be8eee5fb82be50caad1f660f1d9b93 [0,3,0,0,0,0|1,0,0]=4 27424 B12R0.254 CCCCC(CC)NCC[C@@H](C)O 84c80b858c167a4e6e1344e449614416 [0,3,0,0,0,0|1,0,0]=4 27425 B12R0.254 CCCCC(CC)NCC[C@H](C)O 3367719a6e10b0fc8a39134e79cd184f [0,3,0,0,0,0|1,0,0]=4 27426 B12R0.254 CCCCC(CC)OCCC(=O)C 64da83c62bc4799cd1518749ff3f048e [0,3,0,0,0,0|0,0,1]=4 27427 B12R0.254 CCCCC(CC)OCCC(C)C 320fe0605d7770bdcc547b11a47d1377 [0,3,0,0,0,0|0,0,0]=3 27428 B12R0.254 CCCCC(CC)OCCC(F)F e582818f2f37acacc8c7cf2f218a7059 [0,3,0,0,0,0|1,0,0]=4 27429 B12R0.254 CCCCC(CC)OCCN(C)C 053c5cb1e3b5bdac80b528c7f1fcaa0a [0,3,0,0,0,0|1,0,0]=4 27430 B12R0.254 CCCCC(CC)OCCS(=O)C 2757e6cfd7516bdcb83a9f080efd8ef5 [0,3,0,0,0,0|1,0,0]=4 27431 B12R0.254 CCCCC(CC)OCOC(C)C 093c2993434912f5450d1f6f65912163 [0,3,0,0,0,0|1,0,0]=4 27432 B12R0.254 CCCCC(CO)NCCC(C)C 727ae0d0e26207d3c7a983bc003b8c32 [0,3,0,0,0,0|1,0,0]=4 27433 B12R0.254 CCCCC(CO)NCCC(C)O a224aefc656cefea4b744e2a7211785a [0,3,0,0,0,0|1,0,0]=4 27434 B12R0.254 CCCCC(CO)NCC[C@@H](C)O 20d90101642d898a2a067363cbf817e3 [0,3,0,0,0,0|1,0,0]=4 27435 B12R0.254 CCCCC(CO)NCC[C@H](C)O 9669b4040427078bbc21aa6ebbb7533b [0,3,0,0,0,0|1,0,0]=4 27436 B12R0.254 CCCCN(CC)CCCC(C)C d042aeac1a40cfc4cb4df30f24362343 [0,3,0,0,0,0|1,0,0]=4 27437 B12R0.254 CCCCN(CC)CCCC(C)O 2a7ca6a2659804dc70ad36aaa228783c [0,3,0,0,0,0|1,0,0]=4 27438 B12R0.254 CCCC[C@@H](CO)NCCC(C)C 9e117603721168297b52fb61f612274d [0,3,0,0,0,0|1,0,0]=4 27439 B12R0.254 CCCC[C@@H](CO)NCCC(C)O 9b0bc3d2bc8000df65acc6a7c27ec11d [0,3,0,0,0,0|1,0,0]=4 27440 B12R0.254 CCCC[C@H](CO)NCCC(C)C 5e8f70b747e525f8d55c06df3955bbdf [0,3,0,0,0,0|1,0,0]=4 27441 B12R0.254 CCCC[C@H](CO)NCCC(C)O dc9735a7b4abb0ac9cb089d8b46e31fb [0,3,0,0,0,0|1,0,0]=4 27442 B12R0.119 C#CCCCCOCCC(C)(C)C e2dc04f6d63ec0c6d3e744d6b74af16e [0,3,0,0,0,0|0,0,1]=4 27443 B12R0.119 C#CCCCCOCCC(C)(C)O f04d8dd3bab38a74ba54626d750fee3d [0,3,0,0,0,0|0,0,1]=4 27444 B12R0.119 C#CCCCCOCCC(C)(C)S 8949f18a50d0118adbec54d68244b501 [0,3,0,0,0,0|0,0,1]=4 27445 B12R0.119 C#CCCCCOCCC(C)(F)F dd9c391d2725e379d5c184d657452c51 [0,3,0,0,0,0|0,0,1]=4 27446 B12R0.119 C#CCCCOCCCC(C)(C)C 45c2cff942e6be7b06caaa48b385f157 [0,3,0,0,0,0|0,0,1]=4 27447 B12R0.119 C#CCCCOCCCC(C)(C)O 52746182786ba43c1f97bab2d5bcdbb6 [0,3,0,0,0,0|0,0,1]=4 27448 B12R0.119 C#CCCCOCCCC(C)(F)F 39d9ab0e64394c23f49aec9641d926d1 [0,3,0,0,0,0|0,0,1]=4 27449 B12R0.119 C/C=C/CCCOCCC(C)(C)C 421b6b46c2badf6ad6f538a1def3c35a [0,3,0,0,0,0|0,0,1]=4 27450 B12R0.119 C/C=C/CCCOCCC(C)(C)O 9943bd5902e656a081b6335ee2c65cb3 [0,3,0,0,0,0|0,0,1]=4 27451 B12R0.119 C/C=C/CCCOCCC(C)(F)F 7883ca2182638679b15cf79062448a9f [0,3,0,0,0,0|0,0,1]=4 27452 B12R0.119 C/C=C/CCOCCCC(C)(C)O bfb5b1a22bbe5b1360a24ddfde475c18 [0,3,0,0,0,0|0,0,1]=4 27453 B12R0.119 C/C=C/CCOCCCC(C)(F)F 9cdf7fb1afd80855032ae4a3de984b7c [0,3,0,0,0,0|0,0,1]=4 27454 B12R0.119 C/C=C\CCCOCCC(C)(C)C 3fe14103a3897b76d3013f643da41d8b [0,3,0,0,0,0|0,0,1]=4 27455 B12R0.119 C/C=C\CCCOCCC(C)(C)O 855f3c42f5b16124975fd810caee5865 [0,3,0,0,0,0|0,0,1]=4 27456 B12R0.119 C/C=C\CCCOCCC(C)(C)S 7b42bb6fdbfa7df026debca7c3a3973b [0,3,0,0,0,0|0,0,1]=4 27457 B12R0.119 C/C=C\CCCOCCC(C)(F)F 202247c6b0e3db7a11d113da8650fce7 [0,3,0,0,0,0|0,0,1]=4 27458 B12R0.119 C=CCCCCOCCC(C)(C)C 1d3e8ba053e4c2e085738e29649d09d4 [0,3,0,0,0,0|0,0,1]=4 27459 B12R0.119 C=CCCCCOCCC(C)(C)O 9bc125d698850ae0fe6fff0bc31d1a8f [0,3,0,0,0,0|0,0,1]=4 27460 B12R0.119 C=CCCCCOCCC(C)(C)S ed4c60aa81fc77c5caa7cb0914e1b953 [0,3,0,0,0,0|0,0,1]=4 27461 B12R0.119 C=CCCCCOCCC(C)(F)F cd45e4a87ddb4a77aeaee14b0dd6e7c4 [0,3,0,0,0,0|0,0,1]=4 27462 B12R0.119 C=CCCCOCCCC(C)(C)C 07a9056926e05c672c24b3cd113bf9b6 [0,3,0,0,0,0|0,0,1]=4 27463 B12R0.119 C=CCCCOCCCC(C)(C)O 1f26c395853c9cec590c68d731d12722 [0,3,0,0,0,0|0,0,1]=4 27464 B12R0.119 C=CCCCOCCCC(C)(F)F 36f0add88a6dbe289c5d6b1e9f24301d [0,3,0,0,0,0|0,0,1]=4 27465 B12R0.119 CC#CCCCOCCC(C)(C)C 93fb40235e29e6dcdad9baf6a727b0d0 [0,3,0,0,0,0|0,0,1]=4 27466 B12R0.119 CC#CCCCOCCC(C)(C)O 5fc59d34bb9bcdbfce7db0ab44702470 [0,3,0,0,0,0|0,0,1]=4 27467 B12R0.119 CC#CCCCOCCC(C)(C)S 463513044d017cb2a225e868327a1b06 [0,3,0,0,0,0|0,0,1]=4 27468 B12R0.119 CC#CCCCOCCC(C)(F)F cb29eff28083a9b0c38ca53c2708a83e [0,3,0,0,0,0|0,0,1]=4 27469 B12R0.119 CC#CCCOCCCC(C)(C)O 94ad8281e45b72384ab426ef9a15c23d [0,3,0,0,0,0|0,0,1]=4 27470 B12R0.119 CC#CCCOCCCC(C)(F)F 73459f3d557b272ed24cb0b9f75c62c7 [0,3,0,0,0,0|0,0,1]=4 27471 B12R0.119 CC(C)(C)CCCCOCCCF 3dc65c7a93c08349de0e927c6475470a [0,3,0,0,0,0|1,0,0]=4 27472 B12R0.119 CC(C)(C)CCCCOCCCS 8cc5b88d9d25f6d07bad456de24d4296 [0,3,0,0,0,0|1,0,0]=4 27473 B12R0.119 CC(C)(C)CCCNCCCCF d8394ff5ab2e2d4ee3606e7d26e7ecbe [0,3,0,0,0,0|1,0,0]=4 27474 B12R0.119 CC(C)(C)CCCNCCCCO cf6c64bc91bc32f145885996e51351e7 [0,3,0,0,0,0|1,0,0]=4 27475 B12R0.119 CC(C)(C)CCCOCCCC#N e05e30a28d5977e34343dd976f9d9a6b [0,3,0,0,0,0|0,0,1]=4 27476 B12R0.119 CC(C)(C)CCCOCCCC=O f515d053d25ff04a74dabc1df1e45ee6 [0,3,0,0,0,0|0,0,1]=4 27477 B12R0.119 CC(C)(C)CCCOCCCCF 14ad081aa043b05da48e6696e39ac0c8 [0,3,0,0,0,0|0,0,0]=3 27478 B12R0.119 CC(C)(C)CCNCCCCCCl f62331dbe7c39ec1d3b855c511031a91 [0,3,0,0,0,0|1,0,0]=4 27479 B12R0.119 CC(C)(C)CCNCCCCCF e40918ebb597e77b8b864f84e485188c [0,3,0,0,0,0|1,0,0]=4 27480 B12R0.119 CC(C)(C)CCNCCCCCO 96f7b1b478b00522a2326e13cb1edb5a [0,3,0,0,0,0|1,0,0]=4 27481 B12R0.119 CC(C)(C)CCOCCCCC#N 69858e5c245e4ee87b10da9c24c1fde2 [0,3,0,0,0,0|0,0,1]=4 27482 B12R0.119 CC(C)(C)CCOCCCCC=O 460c58f554f6463bd357d2b4305f52cc [0,3,0,0,0,0|0,0,1]=4 27483 B12R0.119 CC(C)(C)CCOCCCCCF 0b9477839789394732ccaf55c97aee37 [0,3,0,0,0,0|0,0,0]=3 27484 B12R0.119 CC(C)(C)CCOCCOCCF 516fb0133b6164eb07d0a5827b23d048 [0,3,0,0,0,0|1,0,0]=4 27485 B12R0.119 CC(C)(C)CCOCCOCCS f6dff714aaf8454c9b583497762b20a7 [0,3,0,0,0,0|1,0,0]=4 27486 B12R0.119 CC(C)(C)CNCCOCCCO 11d5f8752b30b22e6e760cb33558e816 [0,3,0,0,0,0|1,0,0]=4 27487 B12R0.119 CC(C)(C)NCCCOCCCO cd26562be7fbd3725c68502ec0ec7762 [0,3,0,0,0,0|1,0,0]=4 27488 B12R0.119 CC(C)(C)OCCOCCCCF 6c315b5aacf8fb6057eaf50e60f1f553 [0,3,0,0,0,0|1,0,0]=4 27489 B12R0.119 CC(C)(C)OCCOCCCCS e8ad49e214734dcc0b023a86ae17dfc3 [0,3,0,0,0,0|1,0,0]=4 27490 B12R0.119 CC(C)(C)SCCCOCCCF ca463aa71905ed9c87c4c7862e8a9919 [0,3,0,0,0,0|1,0,0]=4 27491 B12R0.119 CC(C)(C)SCCCOCCCS 48cbd8fe61952e53f3779f4ab0f52ba8 [0,3,0,0,0,0|1,0,0]=4 27492 B12R0.119 CC(C)(C)SCCOCCCCF 542b1f9b767f6ce2b6a19a91b6f14d6e [0,3,0,0,0,0|1,0,0]=4 27493 B12R0.119 CC(C)(C)SCCOCCCCS b44db2c8650d9a0817a7c21ad74ae843 [0,3,0,0,0,0|1,0,0]=4 27494 B12R0.119 CC(C)(F)CCNCCCCCF 284e1da192f09dfdfb3fd1fe3e2700fa [0,3,0,0,0,0|1,0,0]=4 27495 B12R0.119 CC(C)(F)CCNCCCCCO a2cdcd12248abd8c0857d528512624c3 [0,3,0,0,0,0|1,0,0]=4 27496 B12R0.119 CC(C)(F)CNCCOCCCO 30f99209c40f8f95ed1699f4967b7697 [0,3,0,0,0,0|1,0,0]=4 27497 B12R0.119 CC(C)(O)CCCNCCCCCl 466a10d52b70087be87163792b88d0ae [0,3,0,0,0,0|1,0,0]=4 27498 B12R0.119 CC(C)(O)CCCNCCCCF e296c9d6f8b1dc7e4cae6ad57640155e [0,3,0,0,0,0|1,0,0]=4 27499 B12R0.119 CC(C)(O)CCCNCCCCO 2d8da686fb64bd180d0f18b693f34ad4 [0,3,0,0,0,0|1,0,0]=4 27500 B12R0.119 CC(C)(O)CCCNCCCCS d919a87896f7228c424dedb6dcb22a9b [0,3,0,0,0,0|1,0,0]=4 27501 B12R0.119 CC(C)(O)CCCOCCCC#N bd1a64d6aaed908fdeb77a71f0b91fa4 [0,3,0,0,0,0|0,0,1]=4 27502 B12R0.119 CC(C)(O)CCCOCCCC=O 100d1f9d7b05561ea739f4967b6a0030 [0,3,0,0,0,0|0,0,1]=4 27503 B12R0.119 CC(C)(O)CCCOCCCCF 4057ac1d0a3cbb32a9ede968aea6258d [0,3,0,0,0,0|0,0,0]=3 27504 B12R0.119 CC(C)(O)CCCOCCCCS bfe64476680455b86644c0fde56ce2b6 [0,3,0,0,0,0|0,0,0]=3 27505 B12R0.119 CC(C)(O)CCNCCCCCCl f5c6d83788812d1746dab5392e115209 [0,3,0,0,0,0|1,0,0]=4 27506 B12R0.119 CC(C)(O)CCNCCCCCF 40cf06b9b90ffe6a083450a2735296dd [0,3,0,0,0,0|1,0,0]=4 27507 B12R0.119 CC(C)(O)CCNCCCCCO 0fbef1d961b5677a842aed87bcc3f1eb [0,3,0,0,0,0|1,0,0]=4 27508 B12R0.119 CC(C)(O)CCOCCCCC#N ed5e0486c20da677ffd2d19a56dce4ae [0,3,0,0,0,0|0,0,1]=4 27509 B12R0.119 CC(C)(O)CCOCCCCC=O cc1aedc7451dab03acfa5efc8390f97f [0,3,0,0,0,0|0,0,1]=4 27510 B12R0.119 CC(C)(O)CCOCCOCCF bf5e1e436c542c7f3d0cbeb01d3f9123 [0,3,0,0,0,0|1,0,0]=4 27511 B12R0.119 CC(C)(O)CCOCCOCCS 894447f702b1f296269e896129e58e56 [0,3,0,0,0,0|1,0,0]=4 27512 B12R0.119 CC(C)(O)CNCCOCCCO 4faf978b7bc8505499134d69e77ba035 [0,3,0,0,0,0|1,0,0]=4 27513 B12R0.119 CC(C)(S)CCOCCCCC#N f8c3b379eea20250ffe69ea6cc550ea2 [0,3,0,0,0,0|0,0,1]=4 27514 B12R0.119 CC(C)(S)CCOCCCCC=O a35e8a60e690b443e31832624065b0b5 [0,3,0,0,0,0|0,0,1]=4 27515 B12R0.119 CC(C)(S)CCOCCCCCF d13b31a9911d4dfc6aa36250adf0887f [0,3,0,0,0,0|0,0,0]=3 27516 B12R0.119 CC(F)(F)CCCNCCCCCl 782647096c31768416506f41cdfa222a [0,3,0,0,0,0|1,0,0]=4 27517 B12R0.119 CC(F)(F)CCCNCCCCO 072edaf5d36b0e7b259f3c37a09fa7d0 [0,3,0,0,0,0|1,0,0]=4 27518 B12R0.119 CC(F)(F)CCCNCCCCS 54cf33a0fb06261c5603b1a2363c5819 [0,3,0,0,0,0|1,0,0]=4 27519 B12R0.119 CC(F)(F)CCCOCCCC#N 899a45f7b3ab27e4398cc8c582b86fce [0,3,0,0,0,0|0,0,1]=4 27520 B12R0.119 CC(F)(F)CCCOCCCC=O efd8f8ab6c27105c848ae84410f67548 [0,3,0,0,0,0|0,0,1]=4 27521 B12R0.119 CC(F)(F)CCCOCCCCF 1ffa034460dbfda51782504358d509e7 [0,3,0,0,0,0|0,0,0]=3 27522 B12R0.119 CC(F)(F)CCCOCCCCS ffe742c51cc7caf7a76ad14d54260e43 [0,3,0,0,0,0|0,0,0]=3 27523 B12R0.119 CC(F)(F)CCNCCCCCCl 5e9cc52dae75de4bd36e54c6a66c9196 [0,3,0,0,0,0|1,0,0]=4 27524 B12R0.119 CC(F)(F)CCNCCCCCO 6bd6de2ceb9b783f51a53c7dddaba6b5 [0,3,0,0,0,0|1,0,0]=4 27525 B12R0.119 CC(F)(F)CCOCCCCC#N f97bde9578a7d0dae623c213cc1095c5 [0,3,0,0,0,0|0,0,1]=4 27526 B12R0.119 CC(F)(F)CCOCCCCC=O 3a38b829fd183dc3f63380329d3d0fcf [0,3,0,0,0,0|0,0,1]=4 27527 B12R0.119 CC(F)(F)CCOCCCCCF 405327d9a819c227bda54a94f899cbc7 [0,3,0,0,0,0|0,0,0]=3 27528 B12R0.119 CC(F)(F)CCOCCOCCF 23e0cc0b37c52a001410abc66f6bfb01 [0,3,0,0,0,0|1,0,0]=4 27529 B12R0.119 CC(F)(F)CCOCCOCCS 111d0f5435551dba229d7873d9de44fe [0,3,0,0,0,0|1,0,0]=4 27530 B12R0.119 CC(F)(F)CNCCOCCCO 7c96d07ecd00fdc86b3b42fe83867874 [0,3,0,0,0,0|1,0,0]=4 27531 B12R0.119 CC/C=C/CCOCCC(C)(C)C 09ae2fe22e80bf3b04964357f304b9b5 [0,3,0,0,0,0|0,0,1]=4 27532 B12R0.119 CC/C=C/CCOCCC(C)(C)O 39216e19d1819baa326b0ad812f9d446 [0,3,0,0,0,0|0,0,1]=4 27533 B12R0.119 CC/C=C/CCOCCC(C)(F)F 58059a8740a0cf7d366c30e300918aa4 [0,3,0,0,0,0|0,0,1]=4 27534 B12R0.119 CC/C=C/COCCCC(C)(C)C 54e62e202ddd20613842d56b37a4cc57 [0,3,0,0,0,0|0,0,1]=4 27535 B12R0.119 CC/C=C/COCCCC(C)(C)O e06cffc84c5a57455a3b47a1700323b8 [0,3,0,0,0,0|0,0,1]=4 27536 B12R0.119 CC/C=C/COCCCC(C)(F)F 5b9ad4ef8a727ebb106dbbf26609d006 [0,3,0,0,0,0|0,0,1]=4 27537 B12R0.119 CC/C=C\CCOCCC(C)(C)C cd44e998c99a94d6e5fbeb3af9ddb25e [0,3,0,0,0,0|0,0,1]=4 27538 B12R0.119 CC/C=C\CCOCCC(C)(C)O 9f2282bb36b06018d08a387ba64cec6b [0,3,0,0,0,0|0,0,1]=4 27539 B12R0.119 CC/C=C\CCOCCC(C)(C)S 21aa37d19c48ad86d5119cf558f6e140 [0,3,0,0,0,0|0,0,1]=4 27540 B12R0.119 CC/C=C\CCOCCC(C)(F)F f8c44733c03db1892ac5e8b6cd69d65f [0,3,0,0,0,0|0,0,1]=4 27541 B12R0.119 CC/C=C\COCCCC(C)(C)O 3795865925ce112dafc234c80730a111 [0,3,0,0,0,0|0,0,1]=4 27542 B12R0.119 CC/C=C\COCCCC(C)(F)F 3d30d19ae414d64e95aff54429f4355f [0,3,0,0,0,0|0,0,1]=4 27543 B12R0.119 CC=CCCCOCCC(C)(C)C 0e98bd1f2a00c5e2c62fff64a1ee0c6b [0,3,0,0,0,0|0,0,1]=4 27544 B12R0.119 CC=CCCCOCCC(C)(C)O 3d167da44bc60fc67b9a2a298b3d6a80 [0,3,0,0,0,0|0,0,1]=4 27545 B12R0.119 CC=CCCCOCCC(C)(F)F 71968b87e32cf6d7bc1e0ebb861ba708 [0,3,0,0,0,0|0,0,1]=4 27546 B12R0.119 CCC#CCCOCCC(C)(C)C 5ab263275f68d3f80d828d158b5c4143 [0,3,0,0,0,0|0,0,1]=4 27547 B12R0.119 CCC#CCCOCCC(C)(C)O 6978c4cba9fdb7de44d2edc070bd8b85 [0,3,0,0,0,0|0,0,1]=4 27548 B12R0.119 CCC#CCCOCCC(C)(F)F 752f472c7c018f455028820ad076e4cd [0,3,0,0,0,0|0,0,1]=4 27549 B12R0.119 CCC#CCOCCCC(C)(C)C ba4082a27a1eadacdd6ae9a2ff57548d [0,3,0,0,0,0|0,0,1]=4 27550 B12R0.119 CCC#CCOCCCC(C)(C)O 83fe53ddac685bfe7cc3b2821eae9fb6 [0,3,0,0,0,0|0,0,1]=4 27551 B12R0.119 CCC#CCOCCCC(C)(F)F 6a62c322a6078dd77bfd444bee0e260b [0,3,0,0,0,0|0,0,1]=4 27552 B12R0.119 CCC/C=C/COCCC(C)(C)C 35ee7ebe6c9e606806e0fd5373e0a0c7 [0,3,0,0,0,0|0,0,1]=4 27553 B12R0.119 CCC/C=C/COCCC(C)(C)O a2ac101dd8f507728d023cbe26a7eb1b [0,3,0,0,0,0|0,0,1]=4 27554 B12R0.119 CCC/C=C/COCCC(C)(C)S 356961936ff92587bd4422fb1a77f897 [0,3,0,0,0,0|0,0,1]=4 27555 B12R0.119 CCC/C=C/COCCC(C)(F)F 81d04c7bb355869240a7777306afa383 [0,3,0,0,0,0|0,0,1]=4 27556 B12R0.119 CCC/C=C\COCCC(C)(C)C ab883cf9b80217680556235f33d95fab [0,3,0,0,0,0|0,0,1]=4 27557 B12R0.119 CCC/C=C\COCCC(C)(C)O 95f4bf82ebf87eb081e9409262117e1c [0,3,0,0,0,0|0,0,1]=4 27558 B12R0.119 CCC/C=C\COCCC(C)(C)S f563ee1d705d4778fd8e2ed17e9a90d7 [0,3,0,0,0,0|0,0,1]=4 27559 B12R0.119 CCC/C=C\COCCC(C)(F)F 9f9bff139570a0282dd7cc66d6c76110 [0,3,0,0,0,0|0,0,1]=4 27560 B12R0.119 CCCC#CCOCCC(C)(C)C ea8508a1b1b9bfe29117fad1c324c847 [0,3,0,0,0,0|0,0,1]=4 27561 B12R0.119 CCCC#CCOCCC(C)(C)O b2f602bb73298dc8bf6d8a8b7ffe73d4 [0,3,0,0,0,0|0,0,1]=4 27562 B12R0.119 CCCC#CCOCCC(C)(F)F a95e688a682b021edad9df2d0c437651 [0,3,0,0,0,0|0,0,1]=4 27563 B12R0.119 CCCCCCCCNC(C)(C)C 0de808d09045585e84e4a4ff7d11ead6 [0,3,0,0,0,0|1,0,0]=4 27564 B12R0.119 CCCCCCCNCC(C)(C)C 751b202076cd31e0f798c4e3b1a0d1c0 [0,3,0,0,0,0|1,0,0]=4 27565 B12R0.119 CCCCCCCNCC(C)(C)F 2893d7ea37ba89b6f89c4fa4b2db024a [0,3,0,0,0,0|1,0,0]=4 27566 B12R0.119 CCCCCCCNCC(C)(C)O 08f56e7c3b584bd641f3b7798b369bc4 [0,3,0,0,0,0|1,0,0]=4 27567 B12R0.119 CCCCCCCNCC(C)(F)F 6da4c8ea25ec753c3eb30beb48140323 [0,3,0,0,0,0|1,0,0]=4 27568 B12R0.119 CCCCCCCOCC(C)(C)Br d9cb2f0f97149db087627eb7e7428fef [0,3,0,0,0,0|1,0,0]=4 27569 B12R0.119 CCCCCCCOCC(C)(C)C 284d5c0799898c87e0e598929c448fdf [0,3,0,0,0,0|1,0,0]=4 27570 B12R0.119 CCCCCCCOCC(C)(C)F a5952b1a9662ef20284a812acadff9f4 [0,3,0,0,0,0|1,0,0]=4 27571 B12R0.119 CCCCCCCOCC(C)(C)O 54a68bd3a0c34f37f7c6a5e837777b24 [0,3,0,0,0,0|1,0,0]=4 27572 B12R0.119 CCCCCCCOCC(C)(C)S 4967d27d8aae907a1ca563a18ad992ff [0,3,0,0,0,0|1,0,0]=4 27573 B12R0.119 CCCCCCCOCC(C)(F)F 48ecf8d53a46e1cbbd8f65a3d0448f5e [0,3,0,0,0,0|1,0,0]=4 27574 B12R0.119 CCCCCCNCCC(C)(C)C 63d15d750abdbaae8cc682e38be11fff [0,3,0,0,0,0|1,0,0]=4 27575 B12R0.119 CCCCCCNCCC(C)(C)F 1f2264a62e7da749c72ecf07e972804d [0,3,0,0,0,0|1,0,0]=4 27576 B12R0.119 CCCCCCNCCC(C)(C)O 2dcf02954e787498472d3ae9ee703305 [0,3,0,0,0,0|1,0,0]=4 27577 B12R0.119 CCCCCCNCCC(C)(F)F 82f41a096abd32b1718c8a50b595115d [0,3,0,0,0,0|1,0,0]=4 27578 B12R0.119 CCCCCCOCCC(C)(C)C 9dd6116a0cb23ce95e587e1f07900574 [0,3,0,0,0,0|0,0,0]=3 27579 B12R0.119 CCCCCCOCCC(C)(C)O 01923e29672a1afcc7d52fd43b545ac9 [0,3,0,0,0,0|0,0,0]=3 27580 B12R0.119 CCCCCCOCCC(C)(C)S 9c499b8dda98deec94d15655102d87c0 [0,3,0,0,0,0|0,0,0]=3 27581 B12R0.119 CCCCCCOCCC(C)(F)F 7d8923d85f4c89f8bd8285611e9a938c [0,3,0,0,0,0|0,0,0]=3 27582 B12R0.119 CCCCCCOCCC(F)(F)F 5489eaf42ccef6216d1e394aa1c2e56d [0,3,0,0,0,0|1,0,0]=4 27583 B12R0.119 CCCCCCOCCS(=N)(=O)C 3c9e725ae4934aa6157b0d761f555110 [0,3,0,0,0,0|1,0,0]=4 27584 B12R0.119 CCCCCCOCCS(=O)(=O)C 63547bfa6005a30a849fbce14f6389d3 [0,3,0,0,0,0|1,0,0]=4 27585 B12R0.119 CCCCCNCCCC(C)(C)C f2d272b1fb338e60ff7cc872aa06e7ee [0,3,0,0,0,0|1,0,0]=4 27586 B12R0.119 CCCCCNCCCC(C)(C)O 91b9353353818ea264803b019fd43a33 [0,3,0,0,0,0|1,0,0]=4 27587 B12R0.119 CCCCCNCCCC(C)(F)F 6a7cd2c5303f08e41aa5d092b8c123f3 [0,3,0,0,0,0|1,0,0]=4 27588 B12R0.119 CCCCCNCCCC(F)(F)F 44a11c0743249e91075d6ea715609344 [0,3,0,0,0,0|1,0,0]=4 27589 B12R0.119 CCCCCNCCCS(=O)(=O)C 624eed163745a0d2abc606a19984eb8e [0,3,0,0,0,0|1,0,0]=4 27590 B12R0.119 CCCCCNCCOC(C)(C)C 4175e5ef6766964a4c5373e11d930aa5 [0,3,0,0,0,0|1,0,0]=4 27591 B12R0.119 CCCCCNCCSC(C)(C)C 04565f8d9e785ecd2b5bc6bf6fa3ea08 [0,3,0,0,0,0|1,0,0]=4 27592 B12R0.119 CCCCCOCC#CC(C)(C)C 3c79247caa89bd204c273f09b4cca0bf [0,3,0,0,0,0|0,0,1]=4 27593 B12R0.119 CCCCCOCCCC(C)(C)C 68c31043b597c7b92125749a5d58b63b [0,3,0,0,0,0|0,0,0]=3 27594 B12R0.119 CCCCCOCCCC(C)(C)O 712ac1c5f37206d53be274f5f39a43e3 [0,3,0,0,0,0|0,0,0]=3 27595 B12R0.119 CCCCCOCCCC(C)(F)F 1c2c24f5569eeb63abf2055370d9485d [0,3,0,0,0,0|0,0,0]=3 27596 B12R0.119 CCCCCOCCCC(F)(F)F 33960e4825185d61ad4f5a13cb950aed [0,3,0,0,0,0|0,0,0]=3 27597 B12R0.119 CCCCCOCCCS(=O)(=O)C bb0783312dbf3ee7224bec953ac5068a [0,3,0,0,0,0|0,0,0]=3 27598 B12R0.119 CCCCCOCCCS(=O)(=O)N 2f0fa30a23395dbb21f93bc4ac4ad9cc [0,3,0,0,0,0|1,0,0]=4 27599 B12R0.119 CCCCCOCCCS(=O)(=O)O 039b4669dbaefa4ecb5280c56b22235a [0,3,0,0,0,0|1,0,0]=4 27600 B12R0.119 CCCCCOCCNS(=O)(=O)C 9b24da1f42e120acde0ce27e4b24bf5f [0,3,0,0,0,0|1,0,0]=4 27601 B12R0.119 CCCCCOCCOC(C)(C)C a900485033f295850530cc284dfad995 [0,3,0,0,0,0|0,0,0]=3 27602 B12R0.119 CCCCCOCCOC(F)(F)F cbb35c75213ffceffd1a39726c3d6003 [0,3,0,0,0,0|1,0,0]=4 27603 B12R0.119 CCCCCOCCOS(=O)(=O)C 7cbe59a73e82f8a7f709d38075837614 [0,3,0,0,0,0|1,0,0]=4 27604 B12R0.119 CCCCCOCCSC(C)(C)C cb942f87695bcc9fac0e2d98e5148736 [0,3,0,0,0,0|0,0,0]=3 27605 B12R0.119 CCCCCOCCSS(=O)(=O)C 01564973a9b9371942c57fbb4f7a67fa [0,3,0,0,0,0|1,0,0]=4 27606 B12R0.119 CCCCNCCCCC(F)(F)F 63da7262edc9963d46a060af233cad3e [0,3,0,0,0,0|1,0,0]=4 27607 B12R0.119 CCCCNCCCCS(=O)(=O)C 063d94f2569228c55fc23202a94ca8fa [0,3,0,0,0,0|1,0,0]=4 27608 B12R0.119 CCCCNCCCOC(C)(C)C 7be91a9b2ca0ee9eba7bc6c65f41bbd8 [0,3,0,0,0,0|1,0,0]=4 27609 B12R0.119 CCCCNCCCSC(C)(C)C 9e30775e81d781524c73dd2da83a61cd [0,3,0,0,0,0|1,0,0]=4 27610 B12R0.119 CCCCOCCCCC(C)(C)C fa5e29eef2d166434c65da0731ee33ac [0,3,0,0,0,0|0,0,0]=3 27611 B12R0.119 CCCCOCCCCC(F)(F)F 5a251bdae490ebaecb92d6e3a3989472 [0,3,0,0,0,0|0,0,0]=3 27612 B12R0.119 CCCCOCCCCS(=O)(=O)C cfc63ed1f83838b0aa6985e892ecbb09 [0,3,0,0,0,0|0,0,0]=3 27613 B12R0.119 CCCCOCCCCS(=O)(=O)O 64970bf4a58f833a5cca2dd590f7dc2f [0,3,0,0,0,0|1,0,0]=4 27614 B12R0.119 CCCCOCCCOC(F)(F)F 43ad1036e19e8dad3e42abc677b3c3cd [0,3,0,0,0,0|1,0,0]=4 27615 B12R0.119 CCCCOCCCSC(C)(C)C 7354f1ee7c96779c19826e5a93982013 [0,3,0,0,0,0|0,0,0]=3 27616 B12R0.119 CCCCOCCNCC(C)(C)C fa6fc7a6764069a4d1650bf9c597db24 [0,3,0,0,0,0|0,0,0]=3 27617 B12R0.119 CCCCOCCNCC(C)(C)F 4126715ec4c92cc57126987380872248 [0,3,0,0,0,0|0,0,0]=3 27618 B12R0.119 CCCCOCCNCC(C)(C)O 5b1ebbb008a292e39412cf2242576f0d [0,3,0,0,0,0|0,0,0]=3 27619 B12R0.119 CCCCOCCNCC(C)(F)F 8836888c62e1a839d2cbf192ce6443a5 [0,3,0,0,0,0|0,0,0]=3 27620 B12R0.119 CCCCOCCNCC(F)(F)F e48a08768d61d7cf6317a3f3e5b786b3 [0,3,0,0,0,0|1,0,0]=4 27621 B12R0.119 CCCCOCCNCS(=O)(=O)C 6de9517debb04ee3e96f9f976558517b [0,3,0,0,0,0|1,0,0]=4 27622 B12R0.119 CCCCOCCOCC(C)(C)Br 66c73f3697d75d4b7fa4dcf664d564cb [0,3,0,0,0,0|0,0,0]=3 27623 B12R0.119 CCCCOCCOCC(C)(C)C 0bce70069f76e2e52790afa1016efa6a [0,3,0,0,0,0|0,0,0]=3 27624 B12R0.119 CCCCOCCOCC(C)(C)F fd5fc004b62de50768f91645bc47cbef [0,3,0,0,0,0|0,0,0]=3 27625 B12R0.119 CCCCOCCOCC(C)(C)O 740f783001a7e8f10e2c06ecd7cb4ee3 [0,3,0,0,0,0|0,0,0]=3 27626 B12R0.119 CCCCOCCOCC(C)(C)S c9ee7aea7f79d721f23958e1d227a09e [0,3,0,0,0,0|0,0,0]=3 27627 B12R0.119 CCCCOCCOCC(C)(F)F d76ea4162a70b3250108accd76305717 [0,3,0,0,0,0|0,0,0]=3 27628 B12R0.119 CCCCOCCOCC(F)(F)Br 73ad927c77a9d5ccc8331cf6afd829db [0,3,0,0,0,0|1,0,0]=4 27629 B12R0.119 CCCCOCCOCC(F)(F)Cl 31f5ee34076a1a21dd54fa9e3db4007d [0,3,0,0,0,0|1,0,0]=4 27630 B12R0.119 CCCCOCCOCC(F)(F)F 85df0164d2b696f0992accded3b42dea [0,3,0,0,0,0|1,0,0]=4 27631 B12R0.119 CCCCOCCOCS(=O)(=O)C d909d96e413389ff76b59f98dc60e0f1 [0,3,0,0,0,0|1,0,0]=4 27632 B12R0.119 CCCCOCNCCC(C)(C)C b4b67102c521d154fad5e0ea4830fc4e [0,3,0,0,0,0|0,0,0]=3 27633 B12R0.119 CCCCOCNCCC(C)(C)F 7bd349b51ae93199ba6bb05bd902ece3 [0,3,0,0,0,0|0,0,0]=3 27634 B12R0.119 CCCCOCNCCC(C)(C)O 7865d7acf34a5682c71eea69d5113274 [0,3,0,0,0,0|0,0,0]=3 27635 B12R0.119 CCCCOCNCCC(F)(F)F 12d481f7bef4446a3a20963229baef0b [0,3,0,0,0,0|1,0,0]=4 27636 B12R0.119 CCCCOCNCCS(=O)(=O)C b561dfc218030864f8fc534b504df86c [0,3,0,0,0,0|1,0,0]=4 27637 B12R0.119 CCCCOCOCCC(C)(C)C 278ea77b43430f4f6103280fc4421419 [0,3,0,0,0,0|0,0,0]=3 27638 B12R0.119 CCCCOCOCCC(C)(C)S 36060d1b306cba5f3fff21b164d82ea0 [0,3,0,0,0,0|0,0,0]=3 27639 B12R0.119 CCCCOCOCCC(C)(F)F 35a74f849d28e21494b669d571a5dabe [0,3,0,0,0,0|0,0,0]=3 27640 B12R0.119 CCCCOCOCCC(F)(F)F 5dd98ff4a2fd6d0c90ae15213e876f75 [0,3,0,0,0,0|1,0,0]=4 27641 B12R0.119 CCCCOCOCCS(=N)(=O)C fdb9a73d9d887c67c7b240918a7663e9 [0,3,0,0,0,0|1,0,0]=4 27642 B12R0.119 CCCCOCOCCS(=O)(=O)C 6d4875d239f8520c59d8c1b7ffec78ee [0,3,0,0,0,0|1,0,0]=4 27643 B12R0.119 CCCCSCCOCC(C)(C)C 3ce58d78bac0c507d77958306aef6c44 [0,3,0,0,0,0|0,1,0]=4 27644 B12R0.119 CCCCSCCOCC(C)(C)F a277ad7da75b27d38b765ff3b163f5ae [0,3,0,0,0,0|0,1,0]=4 27645 B12R0.119 CCCCSCCOCC(C)(C)O 7b19b9218127319f4ec5be2865254e0a [0,3,0,0,0,0|0,1,0]=4 27646 B12R0.119 CCCCSCCOCC(C)(F)F fc297c4b5bd8c1b93f822908a130b474 [0,3,0,0,0,0|0,1,0]=4 27647 B12R0.119 CCCNCCCCCC(C)(C)O 33c09a666d4a3fd72026a51431d8f734 [0,3,0,0,0,0|1,0,0]=4 27648 B12R0.119 CCCOCCCCCC(C)(C)O 09787e47360e6824b84a015130bc2288 [0,3,0,0,0,0|1,0,0]=4 27649 B12R0.119 CCCOCCNCCC(C)(C)C 4cda3e3867e760ce564bf2c411bceede [0,3,0,0,0,0|1,0,0]=4 27650 B12R0.119 CCCOCCNCCC(C)(C)F f97c3e5683875673bbf58c6c7bb9ea2a [0,3,0,0,0,0|1,0,0]=4 27651 B12R0.119 CCCOCCNCCC(C)(C)O 5a4ecb3f405374e727364728dc2e3464 [0,3,0,0,0,0|1,0,0]=4 27652 B12R0.119 CCCOCCNCCC(C)(F)F 700f4e60230fbeb667cf54dae5375246 [0,3,0,0,0,0|1,0,0]=4 27653 B12R0.119 CCCOCCOCCC(C)(C)C 394a01fc5e49ecb284c625cdcb74400d [0,3,0,0,0,0|0,0,0]=3 27654 B12R0.119 CCCOCCOCCC(C)(C)O 9910229f092dd173ab8e4c492cbcc243 [0,3,0,0,0,0|0,0,0]=3 27655 B12R0.119 CCCOCCOCCC(C)(C)S 195ac8d48a62f5a59c14f9dc5a4d576f [0,3,0,0,0,0|0,0,0]=3 27656 B12R0.119 CCCOCCOCCC(C)(F)F 4c2a711527f4f34b79f3dc0c2171e68d [0,3,0,0,0,0|0,0,0]=3 27657 B12R0.119 CCCOCCOCCC(F)(F)F 0a3e36c0539d732dff5e71fa56924894 [0,3,0,0,0,0|1,0,0]=4 27658 B12R0.119 CCCOCCOCCS(=N)(=O)C 05c91554c4837ca640a7d6450c5e4ed5 [0,3,0,0,0,0|1,0,0]=4 27659 B12R0.119 CCCOCCOCCS(=O)(=O)C ce88216f2eb8480e80c79e636104b549 [0,3,0,0,0,0|1,0,0]=4 27660 B12R0.119 CCCSCCOCCC(C)(C)C c19add7169e878626f6999219a8b6b2c [0,3,0,0,0,0|0,0,0]=3 27661 B12R0.119 CCCSCCOCCC(C)(C)O d9ba8b394d2b18078c2878931ab0c757 [0,3,0,0,0,0|0,0,0]=3 27662 B12R0.119 CCCSCCOCCC(C)(F)F 947d69acf3f90c30cd56ac1db62b0d52 [0,3,0,0,0,0|0,0,0]=3 27663 B12R0.119 CCCSCCOCCC(F)(F)F 63af6717d4e672fb453b6d697f9efe0e [0,3,0,0,0,0|1,0,0]=4 27664 B12R0.119 CCCSCCOCCS(=O)(=O)C 5d44bd982559baaf3e3ac7835ee2a027 [0,3,0,0,0,0|1,0,0]=4 27665 B12R0.119 CCOCCCCCCC(C)(C)C e68b66ffd4e3e13eac1d729279e781f2 [0,3,0,0,0,0|1,0,0]=4 27666 B12R0.119 CCOCCCNCCC(C)(C)C a27d621e8a0e1a230a34ac91e31c178b [0,3,0,0,0,0|1,0,0]=4 27667 B12R0.119 CCOCCCNCCC(C)(C)F 628eaad1583f5d1d540ff24f4599047e [0,3,0,0,0,0|1,0,0]=4 27668 B12R0.119 CCOCCCNCCC(C)(C)O dab6066b18a8b36d447c0410efbe5953 [0,3,0,0,0,0|1,0,0]=4 27669 B12R0.119 CCOCCCNCCC(C)(F)F 613e00747de90515a0487acbf1c1c9a1 [0,3,0,0,0,0|1,0,0]=4 27670 B12R0.119 CCOCCCOCCC(C)(C)C 964c508272046d81e1d6532bdc629261 [0,3,0,0,0,0|0,0,0]=3 27671 B12R0.119 CCOCCCOCCC(C)(C)O 0900b98d770f27435ea4a9086df81735 [0,3,0,0,0,0|0,0,0]=3 27672 B12R0.119 CCOCCCOCCC(C)(C)S 80128089aad80cb96fa332d74052f153 [0,3,0,0,0,0|0,0,0]=3 27673 B12R0.119 CCOCCCOCCC(C)(F)F aa018a3ff165dbf10b1365a4400667bf [0,3,0,0,0,0|0,0,0]=3 27674 B12R0.119 CCOCCCOCCC(F)(F)F 7f681b7622166154ee6412bbdafb56c9 [0,3,0,0,0,0|1,0,0]=4 27675 B12R0.119 CCOCCCOCCS(=N)(=O)C 67efa385f5672c2f1b609eec19a69fc2 [0,3,0,0,0,0|1,0,0]=4 27676 B12R0.119 CCOCCCOCCS(=O)(=O)C a5dd7d0d83f5e1a1160c4fe38b4ce62b [0,3,0,0,0,0|1,0,0]=4 27677 B12R0.119 CCOCCNCCCC(C)(C)C 33635ca71b2b7eabc83d7b2d7f0bcd55 [0,3,0,0,0,0|1,0,0]=4 27678 B12R0.119 CCOCCNCCCC(C)(C)O bf05a4f3c99fff72bad6f03872dfd75b [0,3,0,0,0,0|1,0,0]=4 27679 B12R0.119 CCOCCNCCCC(C)(F)F 786576b22f6f1e3058676d86f49624af [0,3,0,0,0,0|1,0,0]=4 27680 B12R0.119 CCOCCOCCCC(C)(C)C 44bb362f3ec70719d24f882303994eb7 [0,3,0,0,0,0|0,0,0]=3 27681 B12R0.119 CCOCCOCCCC(C)(C)O d00b9aa1c3c54cd5e2a846fd8ee787cd [0,3,0,0,0,0|0,0,0]=3 27682 B12R0.119 CCOCCOCCCC(C)(F)F 060308d1d1ff3e4d20a6a8f477d684ff [0,3,0,0,0,0|0,0,0]=3 27683 B12R0.119 CCOCCOCCCC(F)(F)F 38df92deb96fa6ebf65116c2c6135285 [0,3,0,0,0,0|1,0,0]=4 27684 B12R0.119 CCOCCOCCCS(=O)(=O)C fd3e3369ef8454692e02483ff5a21b30 [0,3,0,0,0,0|1,0,0]=4 27685 B12R0.119 CCOCCOCCNC(C)(C)C c298b86af5d37f16aeaecf283cec9c8c [0,3,0,0,0,0|1,0,0]=4 27686 B12R0.119 CCOCCOCCOC(C)(C)C 84ae9c3551be6f0f13aeded8288c5c98 [0,3,0,0,0,0|1,0,0]=4 27687 B12R0.119 CCOCCOCCSC(C)(C)C 5fcf778b263e7568c89492c3f8433cf7 [0,3,0,0,0,0|1,0,0]=4 27688 B12R0.119 CCOCOCCCCC(C)(C)C c94db836186ab20ab8ab2cacdb359103 [0,3,0,0,0,0|1,0,0]=4 27689 B12R0.119 CCOCOCCCCC(F)(F)F b8c5d1ecdb27d430fe7d7f69a831ef2f [0,3,0,0,0,0|1,0,0]=4 27690 B12R0.119 CCSCCCNCCC(C)(C)C 23b7feda0f0dfa1ccc0c91062a3926e2 [0,3,0,0,0,0|1,0,0]=4 27691 B12R0.119 CCSCCCNCCC(C)(C)F caf2ddf60f33f9e74953c3cf18127e35 [0,3,0,0,0,0|1,0,0]=4 27692 B12R0.119 CCSCCCNCCC(C)(C)O 4a581a4df2b47d2a9fbafa3b5f61b2ee [0,3,0,0,0,0|1,0,0]=4 27693 B12R0.119 CCSCCCOCCC(C)(C)C 0d4d1c8bb16ddaebabed4387dbeab62d [0,3,0,0,0,0|0,0,0]=3 27694 B12R0.119 CCSCCCOCCC(C)(C)O 967e4c5c94cf85eddc35a1631d092bab [0,3,0,0,0,0|0,0,0]=3 27695 B12R0.119 CCSCCCOCCC(C)(C)S f7d73778255f905a83ed3ced81837e6d [0,3,0,0,0,0|0,0,0]=3 27696 B12R0.119 CCSCCCOCCC(C)(F)F 85067656fb5519bd7d5ab234f1ca3ef2 [0,3,0,0,0,0|0,0,0]=3 27697 B12R0.119 CCSCCCOCCC(F)(F)F f978f8aed34a31de4b7384465e9cb0da [0,3,0,0,0,0|1,0,0]=4 27698 B12R0.119 CCSCCCOCCS(=N)(=O)C 3bbb439a8c86df4e65d6d6ac8c6bedc0 [0,3,0,0,0,0|1,0,0]=4 27699 B12R0.119 CCSCCCOCCS(=O)(=O)C d7b922ef25a1190605f4355135d4c8df [0,3,0,0,0,0|1,0,0]=4 27700 B12R0.119 CCSCCNCCCC(C)(C)C eba105b8e813900c419a421992234e73 [0,3,0,0,0,0|1,0,0]=4 27701 B12R0.119 CCSCCNCCCC(C)(C)O 9255f782cde3acff6b56d7b759c00a75 [0,3,0,0,0,0|1,0,0]=4 27702 B12R0.119 CCSCCNCCCC(C)(F)F 257a8aca946b80cb8eb814d70d2babd9 [0,3,0,0,0,0|1,0,0]=4 27703 B12R0.119 CCSCCOCCCC(C)(C)C cedd210ce50d9b8794467222e32c370d [0,3,0,0,0,0|0,0,0]=3 27704 B12R0.119 CCSCCOCCCC(C)(C)O 9bc256d09081d3f21290790f4b8889b1 [0,3,0,0,0,0|0,0,0]=3 27705 B12R0.119 CCSCCOCCCC(C)(F)F 27fad1b902d50eac2bd8f28a9640ea74 [0,3,0,0,0,0|0,0,0]=3 27706 B12R0.119 CCSCCOCCCC(F)(F)F 65cf28dead1eece40cbf941313af81fa [0,3,0,0,0,0|1,0,0]=4 27707 B12R0.119 CCSCCOCCCS(=O)(=O)C db6766566bfb9dac00a98b40f1ef554e [0,3,0,0,0,0|1,0,0]=4 27708 B12R0.119 CCSCCOCCOC(C)(C)C 360b90a33a0adf2890c80c48b255fe3d [0,3,0,0,0,0|1,0,0]=4 27709 B12R0.119 CCSCCOCCSC(C)(C)C 45a577721ccf6880ab65be4a44819e5e [0,3,0,0,0,0|1,0,0]=4 27710 B12R0.119 COCCCCNCCC(C)(C)C 4ba19ba9a1663ef7811fd233bc8ec692 [0,3,0,0,0,0|1,0,0]=4 27711 B12R0.119 COCCCCNCCC(C)(C)F b96d49b6ec93c9bdb0634da6d50a15c6 [0,3,0,0,0,0|1,0,0]=4 27712 B12R0.119 COCCCCNCCC(C)(C)O 2a16e83c2702e673029f7454121f1044 [0,3,0,0,0,0|1,0,0]=4 27713 B12R0.119 COCCCCNCCC(C)(F)F 0ec56a5098ab7fe9357bc5499b2478ff [0,3,0,0,0,0|1,0,0]=4 27714 B12R0.119 COCCCCOCCC(C)(C)C f692d8e8776bde30b039cba78a220c74 [0,3,0,0,0,0|0,0,0]=3 27715 B12R0.119 COCCCCOCCC(C)(C)O a8149e05fa77009d0b969764bc0c0b5d [0,3,0,0,0,0|0,0,0]=3 27716 B12R0.119 COCCCCOCCC(C)(C)S a3a325d25ce16cee0658f2bf4d3349a0 [0,3,0,0,0,0|0,0,0]=3 27717 B12R0.119 COCCCCOCCC(C)(F)F c8016c12781bfe80f24b7d9fb5e007de [0,3,0,0,0,0|0,0,0]=3 27718 B12R0.119 COCCCCOCCC(F)(F)F 0f0f15c8e1fca38615c665901171a392 [0,3,0,0,0,0|1,0,0]=4 27719 B12R0.119 COCCCCOCCS(=N)(=O)C f35dcfd6f48a9b0408b9efde828f4dfa [0,3,0,0,0,0|1,0,0]=4 27720 B12R0.119 COCCCCOCCS(=O)(=O)C 4587f4f7ca3881b48c32f1ed65d53456 [0,3,0,0,0,0|1,0,0]=4 27721 B12R0.119 COCCCNCCCC(C)(C)C 9d138ba6d0a7e299a24457d536692ecc [0,3,0,0,0,0|1,0,0]=4 27722 B12R0.119 COCCCNCCCC(C)(C)O 65aa3b4b5370dbc168c20878fbcd82cf [0,3,0,0,0,0|1,0,0]=4 27723 B12R0.119 COCCCNCCCC(C)(F)F 82e9b3cfac3b487d25df8e2f8c97323c [0,3,0,0,0,0|1,0,0]=4 27724 B12R0.119 COCCCOCCCC(C)(C)C 268fa761f1c0df89ecab484b95f1dc51 [0,3,0,0,0,0|0,0,0]=3 27725 B12R0.119 COCCCOCCCC(C)(C)O 9db696bb339adcc1166b3c531f9abc44 [0,3,0,0,0,0|0,0,0]=3 27726 B12R0.119 COCCCOCCCC(C)(F)F bc63e051a2c96c059a6683d36d93f8a9 [0,3,0,0,0,0|0,0,0]=3 27727 B12R0.119 COCCCOCCCC(F)(F)F c8354d627982a734c1536d10f063a5ec [0,3,0,0,0,0|1,0,0]=4 27728 B12R0.119 COCCCOCCCS(=O)(=O)C ebe50232c782b1e2686375d31d8643b6 [0,3,0,0,0,0|1,0,0]=4 27729 B12R0.119 COCCCOCCOC(C)(C)C 6d0a6f3ed0e10c2cd5e149d6b8473aa1 [0,3,0,0,0,0|1,0,0]=4 27730 B12R0.119 COCCCOCCSC(C)(C)C 736ec937e061dee59fcdecffe4c9325e [0,3,0,0,0,0|1,0,0]=4 27731 B12R0.119 COCCOCCCCC(C)(C)C b40dd53f25f3ff7ba3b8f195de421ef0 [0,3,0,0,0,0|1,0,0]=4 27732 B12R0.119 COCCOCCCCC(F)(F)F 8f4a733a062ecfa118c46ff0cd59eeb6 [0,3,0,0,0,0|1,0,0]=4 27733 B12R0.119 COCCOCCCCS(=O)(=O)C 696ad3661fda4775de018a8bbd6fe300 [0,3,0,0,0,0|1,0,0]=4 27734 B12R0.119 COCCOCCCNC(C)(C)C 4170cfb70f43b433621038b77b5bd54f [0,3,0,0,0,0|1,0,0]=4 27735 B12R0.119 COCCOCCCSC(C)(C)C 9db7f40965be2e3b66382c53743c859f [0,3,0,0,0,0|1,0,0]=4 27736 B12R0.119 COCCOCCNCC(C)(C)C 2b6da71ba7a69d2dacbe6859c99cdad6 [0,3,0,0,0,0|1,0,0]=4 27737 B12R0.119 COCCOCCNCC(C)(C)F 69f9555ba63a05616b7110f32682f64c [0,3,0,0,0,0|1,0,0]=4 27738 B12R0.119 COCCOCCNCC(C)(C)O 916c49824b88abd60e131d01c838748b [0,3,0,0,0,0|1,0,0]=4 27739 B12R0.119 COCCOCCNCC(C)(F)F 781f593b97387815186f3a58033e3df7 [0,3,0,0,0,0|1,0,0]=4 27740 B12R0.119 COCCOCCOCC(C)(C)Br 488b3031638eb526a26052b96002e5b9 [0,3,0,0,0,0|1,0,0]=4 27741 B12R0.119 COCCOCCOCC(C)(C)C d934fe10fbbb097fd9c207d5d78a84b0 [0,3,0,0,0,0|1,0,0]=4 27742 B12R0.119 COCCOCCOCC(C)(C)F e30f6a9df1f80ed98b78250a1d541b2f [0,3,0,0,0,0|1,0,0]=4 27743 B12R0.119 COCCOCCOCC(C)(C)O bdc46c278e75f09534932c1defba67e0 [0,3,0,0,0,0|1,0,0]=4 27744 B12R0.119 COCCOCCOCC(C)(C)S 05bea3ac9c43c9f7325928852528e3c4 [0,3,0,0,0,0|1,0,0]=4 27745 B12R0.119 COCCOCCOCC(C)(F)F 6bc1317ed596791d83e973fccaa03686 [0,3,0,0,0,0|1,0,0]=4 27746 B12R0.119 COCCOCNCCC(C)(C)C 92f25c684fa68bd8b9e7c45adf47fda1 [0,3,0,0,0,0|1,0,0]=4 27747 B12R0.119 COCCOCNCCC(C)(C)F 8a52eb555ecafcfa4da34bdacd10409e [0,3,0,0,0,0|1,0,0]=4 27748 B12R0.119 COCCOCNCCC(C)(C)O d3607891ed32ecd678dfdb0a3f1ac9c6 [0,3,0,0,0,0|1,0,0]=4 27749 B12R0.119 COCCOCOCCC(C)(C)C 2aae02f3fd98398bd3888f84a182baab [0,3,0,0,0,0|1,0,0]=4 27750 B12R0.119 COCCOCOCCC(C)(C)S c56c7dca4415f6241c70285a58dc2519 [0,3,0,0,0,0|1,0,0]=4 27751 B12R0.119 COCCOCOCCC(C)(F)F b02499bad4a75e2e4f362fe584f6dee4 [0,3,0,0,0,0|1,0,0]=4 27752 B12R0.119 COCOCCOCCC(C)(C)C 83ad9592698bd41bd5cc67ec8f2f93f3 [0,3,0,0,0,0|1,0,0]=4 27753 B12R0.119 COCOCCOCCC(C)(C)S a609c8787853009a4c68d54a1246afbb [0,3,0,0,0,0|1,0,0]=4 27754 B12R0.119 COCOCCOCCC(C)(F)F 63e3ab4d36a70fd910840ada725bcf9d [0,3,0,0,0,0|1,0,0]=4 27755 B12R0.119 CS(=N)(=O)CCOCCCCCF 4f7b6617895f58308c1dcfde013b8c4a [0,3,0,0,0,0|1,0,0]=4 27756 B12R0.119 CS(=O)(=O)CCCCOCCCF 2695c749eacd309200ecd11d7314518d [0,3,0,0,0,0|1,0,0]=4 27757 B12R0.119 CS(=O)(=O)CCCCOCCCS 77889b5a010cfbf4989a70471c1bff33 [0,3,0,0,0,0|1,0,0]=4 27758 B12R0.119 CS(=O)(=O)CCCOCCCCF 9c817bbee48da64756d4717e6acd9ea4 [0,3,0,0,0,0|1,0,0]=4 27759 B12R0.119 CS(=O)(=O)CCCOCCCCS 4f7ac357f833cf3d335c1aa04687bbd6 [0,3,0,0,0,0|1,0,0]=4 27760 B12R0.119 CS(=O)(=O)CCOCCCCCF a6693bba57ce0443bb4a0be4c8e155f9 [0,3,0,0,0,0|1,0,0]=4 27761 B12R0.119 CSCCCCNCCC(C)(C)C 0289cbc41eb1aee57a603198a1d420c7 [0,3,0,0,0,0|1,0,0]=4 27762 B12R0.119 CSCCCCNCCC(C)(C)O 251a944bb3ad014f94dfba6d8274298e [0,3,0,0,0,0|1,0,0]=4 27763 B12R0.119 CSCCCCNCCC(C)(F)F 117fa7859529486701c66c9f58c8d194 [0,3,0,0,0,0|1,0,0]=4 27764 B12R0.119 CSCCCCOCCC(C)(C)C cc989ac79fffbab3f7c9f4f08802f319 [0,3,0,0,0,0|0,0,0]=3 27765 B12R0.119 CSCCCCOCCC(C)(C)O eea3354a520491a3e6bca6f4fc47cdb2 [0,3,0,0,0,0|0,0,0]=3 27766 B12R0.119 CSCCCCOCCC(C)(F)F 887caf2184297f00c2553861c93e6b22 [0,3,0,0,0,0|0,0,0]=3 27767 B12R0.119 CSCCCCOCCC(F)(F)F 164db398af86e79eac0c1f0299b4297e [0,3,0,0,0,0|1,0,0]=4 27768 B12R0.119 CSCCCCOCCS(=O)(=O)C c4d056f49c20c9849fb1960eafac2de9 [0,3,0,0,0,0|1,0,0]=4 27769 B12R0.119 CSCCCNCCCC(C)(C)C e8d39f2ea7c861636a6e5c6ffa5697c5 [0,3,0,0,0,0|1,0,0]=4 27770 B12R0.119 CSCCCNCCCC(C)(C)O 73137246ded4fa39e9c554cbaa989cbb [0,3,0,0,0,0|1,0,0]=4 27771 B12R0.119 CSCCCNCCCC(C)(F)F 95da8d7f7d78d166ebce34004ae17b6a [0,3,0,0,0,0|1,0,0]=4 27772 B12R0.119 CSCCCOCCCC(C)(C)C 20b2d48c27493db2ed687cf74079cffa [0,3,0,0,0,0|0,0,0]=3 27773 B12R0.119 CSCCCOCCCC(C)(C)O 1f8ccf16360dbf0fc12b2678c521f525 [0,3,0,0,0,0|0,0,0]=3 27774 B12R0.119 CSCCCOCCCC(C)(F)F b261317ed964b2a67ebcaba61a6d0940 [0,3,0,0,0,0|0,0,0]=3 27775 B12R0.119 CSCCCOCCCC(F)(F)F c75d176d1c13040c60b5714a6dd0a92d [0,3,0,0,0,0|1,0,0]=4 27776 B12R0.119 CSCCCOCCCS(=O)(=O)C d1c7c028773fd518a586421c21b0e444 [0,3,0,0,0,0|1,0,0]=4 27777 B12R0.119 CSCCCOCCOC(C)(C)C a7b69c21be4a64fa1a0427073ddb57ad [0,3,0,0,0,0|1,0,0]=4 27778 B12R0.119 CSCCCOCCSC(C)(C)C 65642fc9ae28319838bddbaa7d11b538 [0,3,0,0,0,0|1,0,0]=4 27779 B12R0.119 CSCCOCCCCC(C)(C)C 9e8d4b39d837e410e464476115e10374 [0,3,0,0,0,0|1,0,0]=4 27780 B12R0.119 CSCCOCCCCC(F)(F)F b90217870cfec0a9e7176d9bb67f74ad [0,3,0,0,0,0|1,0,0]=4 27781 B12R0.119 CSCCOCCCCS(=O)(=O)C 7d8ec04c6e810000f07b934cc12529fc [0,3,0,0,0,0|1,0,0]=4 27782 B12R0.119 CSCCOCCCSC(C)(C)C 1ee95034f930fea482b0cbc15b5ac671 [0,3,0,0,0,0|1,0,0]=4 27783 B12R0.119 FC(F)(F)CCCCOCCCS f915041c9f91ff0dde67506e3f130d2f [0,3,0,0,0,0|1,0,0]=4 27784 B12R0.119 FC(F)(F)CCCOCCCCS 97f3514e8100fcb94269f93e9e93098b [0,3,0,0,0,0|1,0,0]=4 27785 B12R0.119 FCCCCCOCCC(F)(F)F 12008da5ca704b758d07f3e8d056278d [0,3,0,0,0,0|1,0,0]=4 27786 B12R0.119 FCCCCOCCCC(F)(F)F cf2e7238a657db6b5695c787d76ac2b0 [0,3,0,0,0,0|1,0,0]=4 27787 B12R0.119 FCCCOCCCCC(F)(F)F 11fb7fa5edf37f407140951ae6ded823 [0,3,0,0,0,0|1,0,0]=4 27788 B12R0.234 C#CCCCCCNCCC(C)C 493bef5ca1c17d1af7bfc56e4898ab86 [0,3,0,0,0,0|1,0,0]=4 27789 B12R0.234 C#CCCCCCNCCC(C)O 6048f3538ea0980996021c67d5b601bb [0,3,0,0,0,0|1,0,0]=4 27790 B12R0.234 C#CCCCCCNCC[C@@H](C)O 5dc84585b0e4085df2b9b2ee60c48f20 [0,3,0,0,0,0|1,0,0]=4 27791 B12R0.234 C#CCCCCCNCC[C@H](C)O 9c68efa0929bf5d6d1cdcd69f915f8a9 [0,3,0,0,0,0|1,0,0]=4 27792 B12R0.234 C#CCCCCCOCCC(=C)C 9c09a593152a34d34c72173aec95db29 [0,3,0,0,0,0|0,0,1]=4 27793 B12R0.234 C#CCCCCCOCCC(=O)C 174ee5ca4f655a8f107b6952b0177467 [0,3,0,0,0,0|0,0,1]=4 27794 B12R0.234 C#CCCCCCOCCC(C)C 36e7ed9e513c8411e3e9b6ae6ef5ef9b [0,3,0,0,0,0|0,0,0]=3 27795 B12R0.234 C#CCCCCCOCCC(F)F c9a26d0b47f1e6adfe7e91438691a461 [0,3,0,0,0,0|1,0,0]=4 27796 B12R0.234 C#CCCCCCOCCN(C)C 0c3e76dc299771d1e1bcece35a9cb857 [0,3,0,0,0,0|1,0,0]=4 27797 B12R0.234 C#CCCCCCOCCS(=O)C 609c71f0e081e1b591aefbd4ba01e7e2 [0,3,0,0,0,0|1,0,0]=4 27798 B12R0.234 C#CCCCCCOCOC(C)C 386ee69932b156927c2f00a09b774a92 [0,3,0,0,0,0|1,0,0]=4 27799 B12R0.234 C#CCCCCNCCCC(C)C e8917898299dee8f2d8521b41a7ff020 [0,3,0,0,0,0|1,0,0]=4 27800 B12R0.234 C#CCCCCNCCCC(C)O 3b936da03d49b45ea321c4ed4282f45a [0,3,0,0,0,0|1,0,0]=4 27801 B12R0.234 C#CCCCCOCCCC(=C)C e01d5affefd888832ee3897b4a0fe3b3 [0,3,0,0,0,0|0,0,1]=4 27802 B12R0.234 C#CCCCCOCCCC(=O)C 2492fdea6c3d8993c8d48069080aa19d [0,3,0,0,0,0|0,0,1]=4 27803 B12R0.234 C#CCCCCOCCCC(C)C 7412ae4f19697129a9c5dc09d270e114 [0,3,0,0,0,0|0,0,0]=3 27804 B12R0.234 C#CCCCCOCCCN(C)C 2324a8f7e4b65874bc6331564ae900aa [0,3,0,0,0,0|0,0,1]=4 27805 B12R0.234 C#CCCCCOCCOC(C)C cc7d00947e5bf81245937f765fd40e3c [0,3,0,0,0,0|0,0,1]=4 27806 B12R0.234 C#CCCCCOCCSC(C)C ed75a80f9308c72403a323e8c7954ed1 [0,3,0,0,0,0|0,0,1]=4 27807 B12R0.234 C#CCCCOCCCCC(=O)C 384aed0d35ad664af75f111d1310a44f [0,3,0,0,0,0|0,0,1]=4 27808 B12R0.234 C#CCCCOCCCCC(C)C 59d6be9780295f89fddb850e3d8946f6 [0,3,0,0,0,0|0,0,1]=4 27809 B12R0.234 C#CCCCOCCCCN(C)C 4b29b55feab372efa8f16bccd8c0a327 [0,3,0,0,0,0|0,0,1]=4 27810 B12R0.234 C#CCCCOCCCOC(C)C 41ca403ae8541b4979bdee964942c3e5 [0,3,0,0,0,0|0,0,1]=4 27811 B12R0.234 C#CCCCOCCCSC(C)C d2dc4f9af34072475d847b4d5ced2b8e [0,3,0,0,0,0|0,0,1]=4 27812 B12R0.234 C#CCCCOCCOCC(C)C 982158d9f5cc999f6137618c508a66a7 [0,3,0,0,0,0|0,0,1]=4 27813 B12R0.234 C#CCCCOCCSCC(C)C 30ea47785b63e2e22160f135d1debedc [0,3,0,0,0,0|0,0,1]=4 27814 B12R0.234 C#CCOCCCOCCC(C)C 04840ddfcb67a8a00dca374e1f50f692 [0,3,0,0,0,0|0,0,1]=4 27815 B12R0.234 C#CCOCCOCCCC(C)C 3f701a0fdb94fe24ca0022c059f1c19d [0,3,0,0,0,0|0,0,1]=4 27816 B12R0.234 C/C=C/CCCOCCCC(=O)C 9f12dd0a51a2b14dc134c890bfa4a500 [0,3,0,0,0,0|0,0,1]=4 27817 B12R0.234 C/C=C/CCCOCCCC(C)C f3cc2870b6f19858d30b1dc5e59e7d4b [0,3,0,0,0,0|0,0,0]=3 27818 B12R0.234 C/C=C/CCCOCCCN(C)C f5d055e2dab5deed4d67699f7edba362 [0,3,0,0,0,0|0,0,1]=4 27819 B12R0.234 C/C=C/CCCOCCOC(C)C 415a1e53f30b38c2294420f53d27dc75 [0,3,0,0,0,0|0,0,1]=4 27820 B12R0.234 C/C=C/CCCOCCSC(C)C 477114a780634bd0f2f7506aeca393d5 [0,3,0,0,0,0|0,0,1]=4 27821 B12R0.234 C/C=C/CCOCCCCC(=O)C 981a01368fe8e783341d9cf2cdac2eaa [0,3,0,0,0,0|0,0,1]=4 27822 B12R0.234 C/C=C/CCOCCCCC(C)C 3f9f09240548690003a9cb7d128cb9c2 [0,3,0,0,0,0|0,0,1]=4 27823 B12R0.234 C/C=C/CCOCCCCN(C)C 6c91b0ddede702f8953dd462348ba32f [0,3,0,0,0,0|0,0,1]=4 27824 B12R0.234 C/C=C/CCOCCOCC(C)C 2436b23626bb137d367d1b30a6b303b8 [0,3,0,0,0,0|0,0,1]=4 27825 B12R0.234 C/C=C\CCCNCCCC(C)C fbc6aa5fcf8e6d63c41b2fced71ac677 [0,3,0,0,0,0|1,0,0]=4 27826 B12R0.234 C/C=C\CCCOCCCC(=O)C b588dafeb9f31b6e578dc29280d06633 [0,3,0,0,0,0|0,0,1]=4 27827 B12R0.234 C/C=C\CCCOCCCC(C)C c478a65b4ff9f7419d248ba810841400 [0,3,0,0,0,0|0,0,0]=3 27828 B12R0.234 C/C=C\CCCOCCCN(C)C bf49a7db54d9892104102df4339e70e0 [0,3,0,0,0,0|0,0,1]=4 27829 B12R0.234 C/C=C\CCCOCCOC(C)C e64960c9c385301a34699786e7ad7228 [0,3,0,0,0,0|0,0,1]=4 27830 B12R0.234 C/C=C\CCCOCCSC(C)C 09cd80e74c7c8977b284d0b2a78e6018 [0,3,0,0,0,0|0,0,1]=4 27831 B12R0.234 C=C(Br)CCOCCOCCCC eb51f2d304742fa1aea011f571ea6ba0 [0,3,0,0,0,0|0,0,1]=4 27832 B12R0.234 C=C(Br)CNCCCOCCCC dc5bf3c80ac1dca19b241c6f2579cb4b [0,3,0,0,0,0|0,0,1]=4 27833 B12R0.234 C=C(Br)COCCCOCCCC 78b80be086cd09eaf46819f1cac96dd1 [0,3,0,0,0,0|0,0,1]=4 27834 B12R0.234 C=C(Br)COCCOCCCCC 72126a2a4ebe1f9a831b932f9029ac2a [0,3,0,0,0,0|0,0,1]=4 27835 B12R0.234 C=C(C)CCCNCCCCCC 8ae0efcd0765890e2521ed35ef58bd9d [0,3,0,0,0,0|1,0,0]=4 27836 B12R0.234 C=C(C)CCCNCCCCCCl a42711ddd0ac56fbb7f15dbf530e6926 [0,3,0,0,0,0|1,0,0]=4 27837 B12R0.234 C=C(C)CCCNCCCCCO fc575e6a1a717287924c349d8d9bf2ce [0,3,0,0,0,0|1,0,0]=4 27838 B12R0.234 C=C(C)CCCNCCCCOC 9495540fe50a0ec62c70cb496fcfd128 [0,3,0,0,0,0|1,0,0]=4 27839 B12R0.234 C=C(C)CCCNCCCCSC 2c36f635601fb88b7123317af9f134f9 [0,3,0,0,0,0|1,0,0]=4 27840 B12R0.234 C=C(C)CCCNCCCOCC 2e4ce68828dac6a69f05af8dd11bc9e0 [0,3,0,0,0,0|1,0,0]=4 27841 B12R0.234 C=C(C)CCCNCCOCCC 28ed03eefc3fc0767d56441e7a58ab15 [0,3,0,0,0,0|1,0,0]=4 27842 B12R0.234 C=C(C)CCCOC/C=C/CCC 41b5cc0a77bd7de4eda9a012f0f92196 [0,3,0,0,0,0|0,0,1]=4 27843 B12R0.234 C=C(C)CCCOC/C=C\CCC ebd9ab32392f5ad5a416acb5c4b1e02a [0,3,0,0,0,0|0,0,1]=4 27844 B12R0.234 C=C(C)CCCOCC#CCCC 30283b2a29e454ce7c58195b0bddaa97 [0,3,0,0,0,0|0,0,1]=4 27845 B12R0.234 C=C(C)CCCOCC/C=C/CC adf71f1b8230b42ab1b442dbfbaab0c5 [0,3,0,0,0,0|0,0,1]=4 27846 B12R0.234 C=C(C)CCCOCC/C=C\CC bf76c732764b20800fbf7b753830ca20 [0,3,0,0,0,0|0,0,1]=4 27847 B12R0.234 C=C(C)CCCOCCC#CCC 7ee360120714f251b9640e53f587bfc2 [0,3,0,0,0,0|0,0,1]=4 27848 B12R0.234 C=C(C)CCCOCCC/C=C/C efffa4cde1ab24d5f762f2ebfbf9597c [0,3,0,0,0,0|0,0,1]=4 27849 B12R0.234 C=C(C)CCCOCCC/C=C\C 137bcff1ba89b6b0bc5ed2614c23979f [0,3,0,0,0,0|0,0,1]=4 27850 B12R0.234 C=C(C)CCCOCCCC#CC 694fec8a7c8f65d92df5fe67d1b6be21 [0,3,0,0,0,0|0,0,1]=4 27851 B12R0.234 C=C(C)CCCOCCCC=CC 332e735983c0870e98fd24e7ec9e2309 [0,3,0,0,0,0|0,0,1]=4 27852 B12R0.234 C=C(C)CCCOCCCCC#N 58ed18b5812515947349dcca36bcb2be [0,3,0,0,0,0|0,0,1]=4 27853 B12R0.234 C=C(C)CCCOCCCCC=O 275c32d763cc856bde2ee4f6b072b959 [0,3,0,0,0,0|0,0,1]=4 27854 B12R0.234 C=C(C)CCCOCCCCCC f4d5d0352ee959cf2fa52225d2343af1 [0,3,0,0,0,0|0,0,0]=3 27855 B12R0.234 C=C(C)CCCOCCCCCF 34cf4f0a3eedf18b355cc7f5b4b0ddca [0,3,0,0,0,0|0,0,0]=3 27856 B12R0.234 C=C(C)CCCOCCCCOC 37694e40f9a2c6cd19949963d2750b85 [0,3,0,0,0,0|0,0,0]=3 27857 B12R0.234 C=C(C)CCCOCCCCSC 8ffc2f3b92d802b43644b5c02e092bec [0,3,0,0,0,0|0,0,0]=3 27858 B12R0.234 C=C(C)CCCOCCCOCC 13ca71e58d94b97bcd81b46ef2eee1e2 [0,3,0,0,0,0|0,0,0]=3 27859 B12R0.234 C=C(C)CCCOCCCSCC d682060df7062782e1b9eaa20feca870 [0,3,0,0,0,0|0,0,0]=3 27860 B12R0.234 C=C(C)CCCOCCOCCC 2032f01f1290eeb552019c23b98c9ce8 [0,3,0,0,0,0|0,0,0]=3 27861 B12R0.234 C=C(C)CCCOCCOCCF 0d7cbf84e9a7243d762aed7e2945c821 [0,3,0,0,0,0|0,0,1]=4 27862 B12R0.234 C=C(C)CCCOCCOCCS 4e5f049906f264ea5d0d832d83b6e46d [0,3,0,0,0,0|0,0,1]=4 27863 B12R0.234 C=C(C)CCCOCCOCOC 4b0014e437d323a4b507f089f2c8d6b5 [0,3,0,0,0,0|0,0,1]=4 27864 B12R0.234 C=C(C)CCCOCCSCCC cae8a9860661983e7fb56b27b34c314b [0,3,0,0,0,0|0,0,0]=3 27865 B12R0.234 C=C(C)CCCOCOCCCC 410300b57d21c29c5638d9cd8ad55160 [0,3,0,0,0,0|0,0,0]=3 27866 B12R0.234 C=C(C)CCCOCOCCOC bd12f1df848e0797e19ed36908f4c743 [0,3,0,0,0,0|0,0,1]=4 27867 B12R0.234 C=C(C)CCNCCCCCCC cb2aae2273742d24be02118e1ddadaac [0,3,0,0,0,0|1,0,0]=4 27868 B12R0.234 C=C(C)CCNCCOCCCC 0f2197d627d8a53e7d0c0224d4d7f881 [0,3,0,0,0,0|0,0,0]=3 27869 B12R0.234 C=C(C)CCNCCOCCCO 5e39fa498f5c27893315b5f0ed54d519 [0,3,0,0,0,0|1,0,0]=4 27870 B12R0.234 C=C(C)CCNCCOCCOC e159027efa5583c7f797831f0e8ad2e4 [0,3,0,0,0,0|1,0,0]=4 27871 B12R0.234 C=C(C)CCOC/C=C/CCCC 5fb8016de61a473e37f38f51b873e00e [0,3,0,0,0,0|0,0,1]=4 27872 B12R0.234 C=C(C)CCOC/C=C\CCCC 3191a790c5fd90b77540035af0a78568 [0,3,0,0,0,0|0,0,1]=4 27873 B12R0.234 C=C(C)CCOCC#CCCCC 474994d4d617ea314588c45640957327 [0,3,0,0,0,0|0,0,1]=4 27874 B12R0.234 C=C(C)CCOCC/C=C\CCC e946b1f7eb62bec3456f43fadede0a2d [0,3,0,0,0,0|0,0,1]=4 27875 B12R0.234 C=C(C)CCOCCC#CCCC 77eecebb7603bb9596218d711b5081e3 [0,3,0,0,0,0|0,0,1]=4 27876 B12R0.234 C=C(C)CCOCCC/C=C\CC f06c421c6a5104b9b9c03957cbb53e22 [0,3,0,0,0,0|0,0,1]=4 27877 B12R0.234 C=C(C)CCOCCCCCC#N e9e76a662d1fd673e5fecc62398fd612 [0,3,0,0,0,0|0,0,1]=4 27878 B12R0.234 C=C(C)CCOCCCCCC=O 2105edcc0dd5fd9e94c6137989f7a63e [0,3,0,0,0,0|0,0,1]=4 27879 B12R0.234 C=C(C)CCOCCCCCCC b89ebde0e7cf357685280f1ca91d61e8 [0,3,0,0,0,0|0,0,1]=4 27880 B12R0.234 C=C(C)CCOCCCCCCF f81773ae0769add39552c750d3e085af [0,3,0,0,0,0|0,0,1]=4 27881 B12R0.234 C=C(C)CCOCCCCCCS 68916abd6bbb749edf31a20af6341288 [0,3,0,0,0,0|0,0,1]=4 27882 B12R0.234 C=C(C)CCOCCCCCOC f44207677c346b04edc47c50d5c4ccb5 [0,3,0,0,0,0|0,0,1]=4 27883 B12R0.234 C=C(C)CCOCCCOCCC f3368023f82d38ef8e99e9b2bd900bb3 [0,3,0,0,0,0|0,0,1]=4 27884 B12R0.234 C=C(C)CCOCCOCCCC 9377ed0242ecd26e30dfbde708611592 [0,3,0,0,0,0|0,0,0]=3 27885 B12R0.234 C=C(C)CCOCCOCCOC 4e64ef97556e1da25e9b1f17db4b3553 [0,3,0,0,0,0|0,0,1]=4 27886 B12R0.234 C=C(C)CCOCCSCCCC 5c013f87eea7e3ffb3baf987f277b5f7 [0,3,0,0,0,0|0,0,1]=4 27887 B12R0.234 C=C(C)CNCCCCCCCC 6df9dadc40f8b0eee0cffd4163032d54 [0,3,0,0,0,0|1,0,0]=4 27888 B12R0.234 C=C(C)CNCCCOCCCC f2de8d0ceac7e1d62e657ef1d13cbef5 [0,3,0,0,0,0|0,0,0]=3 27889 B12R0.234 C=C(C)CNCCCOCCCO 4bfd5ac592c987b767f3a3df1c46535a [0,3,0,0,0,0|1,0,0]=4 27890 B12R0.234 C=C(C)CNCCCOCCOC d585af34964d97225ca7c92e2f93ff47 [0,3,0,0,0,0|1,0,0]=4 27891 B12R0.234 C=C(C)CNCCCOCCSC 1f4224641cb1ef7b9b1018a18ef1dd9f [0,3,0,0,0,0|1,0,0]=4 27892 B12R0.234 C=C(C)CNCCOCCOCC 6a1a3fd6095ae5854f525952cf27f792 [0,3,0,0,0,0|0,0,1]=4 27893 B12R0.234 C=C(C)COCCCCCCCC e0ef7dd9e410d0fdc66f4c0d6fa8a0aa [0,3,0,0,0,0|1,0,0]=4 27894 B12R0.234 C=C(C)COCCCOCCCC a1c3a3b3e22c06436716b2ced95073b7 [0,3,0,0,0,0|0,0,0]=3 27895 B12R0.234 C=C(C)COCCCOCCOC f2014ab3810a9cdaa1eeef1fd4f77c07 [0,3,0,0,0,0|1,0,0]=4 27896 B12R0.234 C=C(C)COCCOCCCCC a6ec0ce2f0929de059881ce092b14a69 [0,3,0,0,0,0|0,0,0]=3 27897 B12R0.234 C=C(C)COCCOCCCCF d95cf0c7d63b4ab7e7c8d61d2b2c40ce [0,3,0,0,0,0|0,0,1]=4 27898 B12R0.234 C=C(C)COCCOCCCOC f2d1fb0ee26063f79246d52100e215fe [0,3,0,0,0,0|0,0,1]=4 27899 B12R0.234 C=C(C)COCCOCCCSC 7b93f66bdd051afe3058f2248485a0e7 [0,3,0,0,0,0|0,0,1]=4 27900 B12R0.234 C=C(C)COCCOCCOCC ab0660a8099196e226b3b698966ed833 [0,3,0,0,0,0|0,0,1]=4 27901 B12R0.234 C=C(C)COCCOCCSCC d0d7c6ba22e9c180d1cfd33195e7e9a1 [0,3,0,0,0,0|0,0,1]=4 27902 B12R0.234 C=C(Cl)CNCCCOCCCC bbaff6dc28c7826b4dcbedb51121e539 [0,3,0,0,0,0|0,0,1]=4 27903 B12R0.234 C=C(Cl)COCCCOCCCC 495bff2408f712334b226ddd4b3e7506 [0,3,0,0,0,0|0,0,1]=4 27904 B12R0.234 C=C(Cl)COCCOCCCCC cc27968e486d1c6d233151b1023bbb6d [0,3,0,0,0,0|0,0,1]=4 27905 B12R0.234 C=C(F)CNCCCOCCCC d25fc0e757f2e0e3ae78bbdcaae1ac16 [0,3,0,0,0,0|0,0,1]=4 27906 B12R0.234 C=C(F)COCCCOCCCC 76be2ac93d200bc555f7b038201c5976 [0,3,0,0,0,0|0,0,1]=4 27907 B12R0.234 C=C(F)COCCOCCCCC 368e92e5c499aeb60adc5ab9817b327e [0,3,0,0,0,0|0,0,1]=4 27908 B12R0.234 C=CCCCCCNCCC(C)C add6211b5c7ebdccf4770f0e33044082 [0,3,0,0,0,0|1,0,0]=4 27909 B12R0.234 C=CCCCCCNCCC(C)O e177d987d9f5bd242e7039a65e47f50a [0,3,0,0,0,0|1,0,0]=4 27910 B12R0.234 C=CCCCCCNCC[C@@H](C)O 91379c7c9bcb5468bb676af7d2aa61f6 [0,3,0,0,0,0|1,0,0]=4 27911 B12R0.234 C=CCCCCCNCC[C@H](C)O 07acf4a31ba3b23891fda7d94e6dc379 [0,3,0,0,0,0|1,0,0]=4 27912 B12R0.234 C=CCCCCCOCCC(=C)C ad527bbcbdba5035086c7493759c075d [0,3,0,0,0,0|0,0,1]=4 27913 B12R0.234 C=CCCCCCOCCC(=O)C 8b58280b5132ff949f417d026c3bcf16 [0,3,0,0,0,0|0,0,1]=4 27914 B12R0.234 C=CCCCCCOCCC(C)C d37da8f859b0476c79f1ee1289aa66c1 [0,3,0,0,0,0|0,0,0]=3 27915 B12R0.234 C=CCCCCCOCCC(F)F 916d653eeb005b17235bdf0b1c3b6d15 [0,3,0,0,0,0|1,0,0]=4 27916 B12R0.234 C=CCCCCCOCCN(C)C a7757acccde56a621a85ae44058288fb [0,3,0,0,0,0|1,0,0]=4 27917 B12R0.234 C=CCCCCCOCCS(=O)C 626b4c6ed696792eeef339589931e5e9 [0,3,0,0,0,0|1,0,0]=4 27918 B12R0.234 C=CCCCCCOCOC(C)C d9aded9e1a0f919e9c8a9c098ac180b2 [0,3,0,0,0,0|1,0,0]=4 27919 B12R0.234 C=CCCCCNCCCC(C)C 406665ea5ab01a667937351d2a34a6aa [0,3,0,0,0,0|1,0,0]=4 27920 B12R0.234 C=CCCCCNCCCC(C)O 84805df8f44b793b34c9603dfb3a4e33 [0,3,0,0,0,0|1,0,0]=4 27921 B12R0.234 C=CCCCCOCCCC(=C)C 353f594d2924fa80e27ea85428088ddb [0,3,0,0,0,0|0,0,1]=4 27922 B12R0.234 C=CCCCCOCCCC(=O)C c12520f5c77e03d47ff13104e4239b23 [0,3,0,0,0,0|0,0,1]=4 27923 B12R0.234 C=CCCCCOCCCC(C)C 07efa0ba5b464c89d8bfcfacfecaeb9e [0,3,0,0,0,0|0,0,0]=3 27924 B12R0.234 C=CCCCCOCCCN(C)C b6c68bddc40c5cf8d6bed18ad8519744 [0,3,0,0,0,0|0,0,1]=4 27925 B12R0.234 C=CCCCCOCCOC(C)C 76775958fb0bfbac8dc9db192a66678c [0,3,0,0,0,0|0,0,1]=4 27926 B12R0.234 C=CCCCCOCCSC(C)C 54e660bb4b810ba0faa91ec8e9b0cc55 [0,3,0,0,0,0|0,0,1]=4 27927 B12R0.234 C=CCCCOCCCCC(=O)C 56f4a00516b4d8a6d9a553e42caf5b8e [0,3,0,0,0,0|0,0,1]=4 27928 B12R0.234 C=CCCCOCCCCC(C)C 98b6865a7501bc29e2de75d1849b948f [0,3,0,0,0,0|0,0,1]=4 27929 B12R0.234 C=CCCCOCCCCN(C)C 7a9659f4cfa103b55ea271d3f667f3b0 [0,3,0,0,0,0|0,0,1]=4 27930 B12R0.234 C=CCCCOCCCOC(C)C e66df37991d1017d1cf26e1faae52ac7 [0,3,0,0,0,0|0,0,1]=4 27931 B12R0.234 C=CCCCOCCCSC(C)C 6aa7370da2c14d094819e1695e8c09a1 [0,3,0,0,0,0|0,0,1]=4 27932 B12R0.234 C=CCCCOCCOCC(C)C 172e392bbecb681dfc131c168e6be6c4 [0,3,0,0,0,0|0,0,1]=4 27933 B12R0.234 C=CCCCOCCSCC(C)C 2150ca111dbe79b2e7d61bccec17ec47 [0,3,0,0,0,0|0,0,1]=4 27934 B12R0.234 C=CCOCCOCCCC(C)C 23db9f91e1da615b8158da964127a14b [0,3,0,0,0,0|0,0,1]=4 27935 B12R0.234 C=COCCCCOCCC(C)C a6a11337ac871f71d6389c897ef45347 [0,3,0,0,0,0|0,0,1]=4 27936 B12R0.234 CC#CCCCNCCCC(C)C f3c690726fca033c1f7b1c65f99fc3d6 [0,3,0,0,0,0|1,0,0]=4 27937 B12R0.234 CC#CCCCOCCCC(=O)C 5b8d21c5ccf53c71e5d4b343404a4483 [0,3,0,0,0,0|0,0,1]=4 27938 B12R0.234 CC#CCCCOCCCC(C)C ded930c59f211c68d25ac1546fa47694 [0,3,0,0,0,0|0,0,0]=3 27939 B12R0.234 CC#CCCCOCCCN(C)C f409437f402b5b61169a4972d6068119 [0,3,0,0,0,0|0,0,1]=4 27940 B12R0.234 CC#CCCCOCCOC(C)C 1279f6527f5c5c4e099059547f7acafa [0,3,0,0,0,0|0,0,1]=4 27941 B12R0.234 CC#CCCCOCCSC(C)C e8760a5953e4ad0113741d813acc6db5 [0,3,0,0,0,0|0,0,1]=4 27942 B12R0.234 CC#CCCOCCCCC(=O)C 672cd0ebc9917a983c0920e8d6694754 [0,3,0,0,0,0|0,0,1]=4 27943 B12R0.234 CC#CCCOCCCCC(C)C 29e15e3015ebfa57475ea53c06f03261 [0,3,0,0,0,0|0,0,1]=4 27944 B12R0.234 CC#CCCOCCCCN(C)C f800b1a572a688d3f72e3081d5ccdc3d [0,3,0,0,0,0|0,0,1]=4 27945 B12R0.234 CC#CCCOCCOCC(C)C eecbdffbf3dd4211d32d46af98094fc5 [0,3,0,0,0,0|0,0,1]=4 27946 B12R0.234 CC(=O)CCCCCOCCCF aea5617ec8d11b226901e62fa772bfb5 [0,3,0,0,0,0|1,0,0]=4 27947 B12R0.234 CC(=O)CCCCCOCCCS adb0a1cbbbe885195480894115f237b3 [0,3,0,0,0,0|1,0,0]=4 27948 B12R0.234 CC(=O)CCCCNCCCCCl 6a5b6c28d5acc9a7cea35bbb482ffe5f [0,3,0,0,0,0|1,0,0]=4 27949 B12R0.234 CC(=O)CCCCNCCCCO e13aaafff6bf678a31c0d746365aac47 [0,3,0,0,0,0|1,0,0]=4 27950 B12R0.234 CC(=O)CCCCNCCCCS b7e95352f9d624897b4fceefaf09bdf1 [0,3,0,0,0,0|1,0,0]=4 27951 B12R0.234 CC(=O)CCCCOCCCC#N b7ca9e2602d8d9e3bf14c4e35943850c [0,3,0,0,0,0|0,0,1]=4 27952 B12R0.234 CC(=O)CCCCOCCCC=O 53d7c54e1bb55fa43e86eb862d3d798c [0,3,0,0,0,0|0,0,1]=4 27953 B12R0.234 CC(=O)CCCCOCCCCF 7abba6153d13b440bd25e9931a8a92e4 [0,3,0,0,0,0|0,0,0]=3 27954 B12R0.234 CC(=O)CCCCOCCCCS 72bd4739b616c34b3e153f9a5c4facf6 [0,3,0,0,0,0|0,0,0]=3 27955 B12R0.234 CC(=O)CCCNCCCCCCl 5c10b1a5408326b2f4b5cbe2c76de09a [0,3,0,0,0,0|1,0,0]=4 27956 B12R0.234 CC(=O)CCCNCCCCCO 6fba6a16fd8f66b73fe1f33f598e9401 [0,3,0,0,0,0|1,0,0]=4 27957 B12R0.234 CC(=O)CCCOCCCCC#N daefeeacfa15a9704cc2011a8254650d [0,3,0,0,0,0|0,0,1]=4 27958 B12R0.234 CC(=O)CCCOCCCCC=O 3b30e4d615788124f8df5b67435d24c8 [0,3,0,0,0,0|0,0,1]=4 27959 B12R0.234 CC(=O)CCCOCCCCCF 948a14f4abeb64192d4a0cafc1fa2d97 [0,3,0,0,0,0|0,0,0]=3 27960 B12R0.234 CC(=O)CCCOCCOCCF dfc7cfa2a5a3ce2f77d44ad4cac547ad [0,3,0,0,0,0|0,0,1]=4 27961 B12R0.234 CC(=O)CCCOCCOCCS 089015d51403342ebbaadcc6f32af4d5 [0,3,0,0,0,0|0,0,1]=4 27962 B12R0.234 CC(=O)CCNCCOCCCO 68b2146ca9b116194f2e4b87a5fbe028 [0,3,0,0,0,0|1,0,0]=4 27963 B12R0.234 CC(=O)CCOCCCCCC#N 566e93ad6011ef88458fee842c77e2f4 [0,3,0,0,0,0|0,0,1]=4 27964 B12R0.234 CC(=O)CCOCCCCCC=O fb5708b3f4ac726e9386216c60be29ce [0,3,0,0,0,0|0,0,1]=4 27965 B12R0.234 CC(=O)CCOCCCCCCF 28063f4a6422021ba2cbada32ed5cde6 [0,3,0,0,0,0|0,0,1]=4 27966 B12R0.234 CC(=O)CCOCCCCCCS 0faaaa381a23e28fc4abf5b19b60eb96 [0,3,0,0,0,0|0,0,1]=4 27967 B12R0.234 CC(=O)CNCCCOCCCO c6c0aba06efed8902fa882b45be2e09f [0,3,0,0,0,0|1,0,0]=4 27968 B12R0.234 CC(=O)NCCCOCCCCF 8dc59e1494d6c592fa2da74749049546 [0,3,0,0,0,0|0,0,1]=4 27969 B12R0.234 CC(=O)NCCCOCCCCS c4bd64211a397a06a5488acc15e7f5a8 [0,3,0,0,0,0|0,0,1]=4 27970 B12R0.234 CC(=O)NCCOCCCCCF 4f2c89cee2da4f87a103c1cee9780d7b [0,3,0,0,0,0|0,0,1]=4 27971 B12R0.234 CC(=O)OCCCCOCCCF f31ca1cf6b1e7b600cb5f6a368ab3f2f [0,3,0,0,0,0|1,0,0]=4 27972 B12R0.234 CC(=O)OCCCCOCCCS 728c811f0489572a26b30537efbebc93 [0,3,0,0,0,0|1,0,0]=4 27973 B12R0.234 CC(=O)OCCCOCCCCF 021943cf97d088f721202740816df946 [0,3,0,0,0,0|0,0,1]=4 27974 B12R0.234 CC(=O)OCCCOCCCCS 1fe0078d90c72bfd356625960efed2b2 [0,3,0,0,0,0|0,0,1]=4 27975 B12R0.234 CC(=O)OCCOCCCCCF a51128120528193dbb2e59ef92be48b0 [0,3,0,0,0,0|0,0,1]=4 27976 B12R0.234 CC(=O)SCCCCOCCCF 0b437e58ba569465ecf4b83a792a7774 [0,3,0,0,0,0|1,0,0]=4 27977 B12R0.234 CC(=O)SCCCCOCCCS 38f45d5f4c4b6baeca53f8d0f2a020e2 [0,3,0,0,0,0|1,0,0]=4 27978 B12R0.234 CC(=O)SCCCOCCCCF 208d4656ae808a6a92945fe1c9b036a7 [0,3,0,0,0,0|0,0,1]=4 27979 B12R0.234 CC(=O)SCCCOCCCCS a65c7c48f4aebd4914f2b3520baf1596 [0,3,0,0,0,0|0,0,1]=4 27980 B12R0.234 CC(=S)OCCCOCCCCF 9957c473d4f877b58a0a3eab4d3f6588 [0,3,0,0,0,0|0,0,1]=4 27981 B12R0.234 CC(=S)OCCCOCCCCS b539015fa15247acdbdbc9bb8f6b7464 [0,3,0,0,0,0|0,0,1]=4 27982 B12R0.234 CC(C)CCCCCCCOCF cbad12d80ee4f2f259e3bcfca768c101 [0,3,0,0,0,0|1,0,0]=4 27983 B12R0.234 CC(C)CCCCCCNCCF e6f0f244541d8dda2a2f69d8690746d7 [0,3,0,0,0,0|1,0,0]=4 27984 B12R0.234 CC(C)CCCCCCNCCO 6fbc7e604c6bf59412fda4edd7b0ae09 [0,3,0,0,0,0|1,0,0]=4 27985 B12R0.234 CC(C)CCCCCCNCCS 58d0dca3c4511fc37dd5c9c1f6e16f6d [0,3,0,0,0,0|1,0,0]=4 27986 B12R0.234 CC(C)CCCCCCOCCF ae10e074d7625928e56e3a76d12262ea [0,3,0,0,0,0|1,0,0]=4 27987 B12R0.234 CC(C)CCCCCCOCCS 0ca58f100cff7d8fb9a84ed53acaf3bb [0,3,0,0,0,0|1,0,0]=4 27988 B12R0.234 CC(C)CCCCCNCCCCl ae0681dbc0b8eccb25659a4101a4eb75 [0,3,0,0,0,0|1,0,0]=4 27989 B12R0.234 CC(C)CCCCCNCCCF cb55273805d2c58d9cfa15249dd2fece [0,3,0,0,0,0|1,0,0]=4 27990 B12R0.234 CC(C)CCCCCNCCCO 794e9f38db7a13720e8e07c792297179 [0,3,0,0,0,0|1,0,0]=4 27991 B12R0.234 CC(C)CCCCCNCCCS 9be7acc2c02f4c5f221ce71bf33c6ac6 [0,3,0,0,0,0|1,0,0]=4 27992 B12R0.234 CC(C)CCCCCOCCCF 45c1f44e90efc7775fba6934252b0435 [0,3,0,0,0,0|1,0,0]=4 27993 B12R0.234 CC(C)CCCCCOCCCS ce3b77e746b3cb329d34c52351741bec [0,3,0,0,0,0|1,0,0]=4 27994 B12R0.234 CC(C)CCCCNCCCCCl 37a3ba3879581c2df454d0ccbe94d2c0 [0,3,0,0,0,0|1,0,0]=4 27995 B12R0.234 CC(C)CCCCNCCCCO 0dbe8b8548adb068264178bc3cb16e40 [0,3,0,0,0,0|1,0,0]=4 27996 B12R0.234 CC(C)CCCCNCCCCS a83d71bc9b92eee64298fb2b16a01595 [0,3,0,0,0,0|1,0,0]=4 27997 B12R0.234 CC(C)CCCCOCCCC#N 31dea31f5e910b1c3e01d21a0656d159 [0,3,0,0,0,0|0,0,1]=4 27998 B12R0.234 CC(C)CCCCOCCCC=O 194340ef5753940f90596f4b0413dc5e [0,3,0,0,0,0|0,0,1]=4 27999 B12R0.234 CC(C)CCCCOCCCCF 4188380f44d58adc62cb1c96f83f1aa5 [0,3,0,0,0,0|0,0,0]=3 28000 B12R0.234 CC(C)CCCCOCCCCS a3cac80a98759ab26871b550bec33d51 [0,3,0,0,0,0|0,0,0]=3 28001 B12R0.234 CC(C)CCCNCCCCC#N 979c7aaa9f6445f62a2e265976f7e3f6 [0,3,0,0,0,0|1,0,0]=4 28002 B12R0.234 CC(C)CCCNCCCCC=O f79181d7d9a64eb6796ea6e4f4fb96dd [0,3,0,0,0,0|1,0,0]=4 28003 B12R0.234 CC(C)CCCNCCCCCCl 535ec63c50f78362bdcd1f7c740cfc46 [0,3,0,0,0,0|1,0,0]=4 28004 B12R0.234 CC(C)CCCNCCCCCF c659cb9205299404f4ca73cfcaa30059 [0,3,0,0,0,0|1,0,0]=4 28005 B12R0.234 CC(C)CCCNCCCCCO 1200510d4fdb3666c92f4096f8e4c1e6 [0,3,0,0,0,0|1,0,0]=4 28006 B12R0.234 CC(C)CCCNCCCCON 3e51d28927180fb3cf579387929ca3fe [0,3,0,0,0,0|1,0,0]=4 28007 B12R0.234 CC(C)CCCNCCOCCO d3055097e88cefb0ede066169b617aba [0,3,0,0,0,0|1,0,0]=4 28008 B12R0.234 CC(C)CCCNCCOCCS 2d9353a702beeeb237b72448e7bc8d13 [0,3,0,0,0,0|1,0,0]=4 28009 B12R0.234 CC(C)CCCNCCSCCO d9c05cb1ee8075ee139705636a2bd8ae [0,3,0,0,0,0|1,0,0]=4 28010 B12R0.234 CC(C)CCCOCCCCC#N 88a98eeba1c199f5928d242c9be722aa [0,3,0,0,0,0|0,0,0]=3 28011 B12R0.234 CC(C)CCCOCCCCC=O 82fbf61e87b5a61d74b3a6c8b1f114d1 [0,3,0,0,0,0|0,0,0]=3 28012 B12R0.234 CC(C)CCCOCCCCCF 4456cf26f51458e6d894c3b9ba516449 [0,3,0,0,0,0|0,0,0]=3 28013 B12R0.234 CC(C)CCCOCCOCC#N 1fd753de13d021c655b115cd4bee4f7c [0,3,0,0,0,0|0,0,1]=4 28014 B12R0.234 CC(C)CCCOCCOCC=O 38710dbcb45cb1ee51367fe01a1698a3 [0,3,0,0,0,0|0,0,1]=4 28015 B12R0.234 CC(C)CCCOCCOCCF 1ad10b47780661fe9fbf8d5ee82dfc6e [0,3,0,0,0,0|0,0,0]=3 28016 B12R0.234 CC(C)CCCOCCOCCS 2376fcb08e478fde391a3c55df547fe1 [0,3,0,0,0,0|0,0,0]=3 28017 B12R0.234 CC(C)CCNCCCCCC#N 55b6537cbc339774a3dff10b09bbcca5 [0,3,0,0,0,0|1,0,0]=4 28018 B12R0.234 CC(C)CCNCCCCCC=O faa3adb8f56685ab6ee6db0283d13280 [0,3,0,0,0,0|1,0,0]=4 28019 B12R0.234 CC(C)CCNCCCCCCCl ab232b3272e0cca84a18fbd108afa591 [0,3,0,0,0,0|1,0,0]=4 28020 B12R0.234 CC(C)CCNCCCCCCF 44b151e901f2dc1936c488332d49927e [0,3,0,0,0,0|1,0,0]=4 28021 B12R0.234 CC(C)CCNCCCCCCO 3a0954e85cd5382a807128f8b5827436 [0,3,0,0,0,0|1,0,0]=4 28022 B12R0.234 CC(C)CCNCCCOCCO a01bec2173a2a6617c4eddfbd558faa1 [0,3,0,0,0,0|1,0,0]=4 28023 B12R0.234 CC(C)CCNCCOCCCO 1d789daf7e29d36ef9715a7d29141e91 [0,3,0,0,0,0|1,0,0]=4 28024 B12R0.234 CC(C)CCOCCCCCC#N 4c53817f0744e3e78f8d1179f82704ba [0,3,0,0,0,0|0,0,0]=3 28025 B12R0.234 CC(C)CCOCCCCCC=O adb88b2604462fc54a859e863a9fb114 [0,3,0,0,0,0|0,0,0]=3 28026 B12R0.234 CC(C)CCOCCCCCCF ea1251f7185f706c533be7084495fbc7 [0,3,0,0,0,0|0,0,0]=3 28027 B12R0.234 CC(C)CCOCCCCCCS 5ee6e3325f25868fea860901fe7be9c5 [0,3,0,0,0,0|0,0,0]=3 28028 B12R0.234 CC(C)CCOCCCOCC#N 6ad70d332fd3c02e0f709f1d329c7287 [0,3,0,0,0,0|0,0,1]=4 28029 B12R0.234 CC(C)CCOCCOCCC#N 605069d44b1bfc16dcbdf37c457042e5 [0,3,0,0,0,0|0,0,1]=4 28030 B12R0.234 CC(C)CNCCCCCCCO 17af4a06e19a9f19f4462b3a5a4692f8 [0,3,0,0,0,0|1,0,0]=4 28031 B12R0.234 CC(C)CNCCCOCCCO fcfd98c32541b1071187b381f4b3a982 [0,3,0,0,0,0|1,0,0]=4 28032 B12R0.234 CC(C)COCCCOCCCF 246f19957c73d7aeb1b408bcb1248693 [0,3,0,0,0,0|1,0,0]=4 28033 B12R0.234 CC(C)COCCCOCCCS a9f9d77e5974441a0307df06befba8cc [0,3,0,0,0,0|1,0,0]=4 28034 B12R0.234 CC(C)COCCNCCCCCl 6c9148f6b3a7c14136b4905bee7071a9 [0,3,0,0,0,0|1,0,0]=4 28035 B12R0.234 CC(C)COCCNCCCCO 897cc93df59f693602737509478375ec [0,3,0,0,0,0|1,0,0]=4 28036 B12R0.234 CC(C)COCCNCCCCS f27d99855b6adfc7757751f32e49c693 [0,3,0,0,0,0|1,0,0]=4 28037 B12R0.234 CC(C)COCCOCCCC#N aa49cdd35bd84a6ece4942dd0d83f1bf [0,3,0,0,0,0|0,0,1]=4 28038 B12R0.234 CC(C)COCCOCCCC=O ed5254a3bf890b930a27fbc7e9cc9575 [0,3,0,0,0,0|0,0,1]=4 28039 B12R0.234 CC(C)COCCOCCCCF 5e89e57e89cd35d7fae1fa1cd856e43d [0,3,0,0,0,0|0,0,0]=3 28040 B12R0.234 CC(C)COCCOCCCCS 832f6670a275fca6ebe5aca92b7a0942 [0,3,0,0,0,0|0,0,0]=3 28041 B12R0.234 CC(C)CSCCCOCCCF 2bbad3ea0f9fb28b8d1ddbd37f98a485 [0,3,0,0,0,0|1,0,0]=4 28042 B12R0.234 CC(C)CSCCCOCCCS 3f5baeb2084ff269fb8e5c135e0cb4c3 [0,3,0,0,0,0|1,0,0]=4 28043 B12R0.234 CC(C)CSCCOCCCC#N 218b19c24fa8a1a8dbd29bf6b07485dd [0,3,0,0,0,0|0,0,1]=4 28044 B12R0.234 CC(C)CSCCOCCCC=O d017e729dc5fe1c579b9541a0c05bb3d [0,3,0,0,0,0|0,0,1]=4 28045 B12R0.234 CC(C)CSCCOCCCCF 5f4be9c8463a361bc12f0ec79671d5ce [0,3,0,0,0,0|0,0,0]=3 28046 B12R0.234 CC(C)NCCCCCCCCO 77e83d169886f18dbdc8364c4f71ab3f [0,3,0,0,0,0|1,0,0]=4 28047 B12R0.234 CC(C)NCCOCCOCCF ae0c2e88ef75841259d1d1a7ea99c85e [0,3,0,0,0,0|1,0,0]=4 28048 B12R0.234 CC(C)NCCOCCOCCO df33e2310d559ceee372fc08d11771d0 [0,3,0,0,0,0|1,0,0]=4 28049 B12R0.234 CC(C)OCCCNCCCCF c4b88a0cab375eb35ea2dc119ee20d06 [0,3,0,0,0,0|1,0,0]=4 28050 B12R0.234 CC(C)OCCCNCCCCO eca545d4c20e5ff6371dd24adc8845ee [0,3,0,0,0,0|1,0,0]=4 28051 B12R0.234 CC(C)OCCCOCCCC#N ad166a22cec41c10d4656f7e53a5af52 [0,3,0,0,0,0|0,0,1]=4 28052 B12R0.234 CC(C)OCCCOCCCC=O 96806f2da1e906b433bdbf719ef04c80 [0,3,0,0,0,0|0,0,1]=4 28053 B12R0.234 CC(C)OCCCOCCCCF f35f2eefff139adc46576b6b57a9d48e [0,3,0,0,0,0|0,0,0]=3 28054 B12R0.234 CC(C)OCCNCCCCCCl 225653eb16c1b7478b359ac3b446e7b6 [0,3,0,0,0,0|1,0,0]=4 28055 B12R0.234 CC(C)OCCNCCCCCF d9d32bfa2bcaa1a1d8b8da37ef919ada [0,3,0,0,0,0|1,0,0]=4 28056 B12R0.234 CC(C)OCCNCCCCCO b0860d3042ff259c2484caa3bcc32fd7 [0,3,0,0,0,0|1,0,0]=4 28057 B12R0.234 CC(C)OCCOCCCCC#N 067e8c8c55e43cb96425ff8d5f112c2a [0,3,0,0,0,0|0,0,1]=4 28058 B12R0.234 CC(C)OCCOCCCCC=O 80b61e83e1d4f8ac44c9d90bb259b0a6 [0,3,0,0,0,0|0,0,1]=4 28059 B12R0.234 CC(C)OCCOCCCCCF 91cbd9f7d2236846f85ab8fa7d03d685 [0,3,0,0,0,0|0,0,0]=3 28060 B12R0.234 CC(C)OCCOCCOCCF 790a9a6e98d7727989e71b86123efe62 [0,3,0,0,0,0|1,0,0]=4 28061 B12R0.234 CC(C)OCCOCCOCCS 223e29c8758f51671fcef216e82ac0fc [0,3,0,0,0,0|1,0,0]=4 28062 B12R0.234 CC(C)OCNCCOCCCO 191ac4ff21343dbb803918ebc3855c0d [0,3,0,0,0,0|1,0,0]=4 28063 B12R0.234 CC(C)OCOCCCCCC#N dc7ab4558a7ebbd8ed797bbc85b42953 [0,3,0,0,0,0|1,0,0]=4 28064 B12R0.234 CC(C)OCOCCCCCCF b650d085fa5306c94950ea9c9a5ad442 [0,3,0,0,0,0|1,0,0]=4 28065 B12R0.234 CC(C)OCOCCCCCCS ad1c2d1f34742a65ebc679e86fd67ed2 [0,3,0,0,0,0|1,0,0]=4 28066 B12R0.234 CC(C)SCCCNCCCCF e070c5526823363aaaee76be5fe102ab [0,3,0,0,0,0|1,0,0]=4 28067 B12R0.234 CC(C)SCCCNCCCCO 8122870fc7df068044f9ee1c4d34f6d8 [0,3,0,0,0,0|1,0,0]=4 28068 B12R0.234 CC(C)SCCCOCCCC#N 24432b11e21eadcbc158f131c804bf9e [0,3,0,0,0,0|0,0,1]=4 28069 B12R0.234 CC(C)SCCCOCCCC=O c7ce64884fdddda0b101350343271609 [0,3,0,0,0,0|0,0,1]=4 28070 B12R0.234 CC(C)SCCCOCCCCF 0b88222bb7c3348723670db942288da7 [0,3,0,0,0,0|0,0,0]=3 28071 B12R0.234 CC(C)SCCNCCCCCCl 619ad865200933973858c9ac0df0891c [0,3,0,0,0,0|1,0,0]=4 28072 B12R0.234 CC(C)SCCNCCCCCO 31c0763f99fc52f9541af2dc91482928 [0,3,0,0,0,0|1,0,0]=4 28073 B12R0.234 CC(C)SCCOCCCCC#N 7cbd3f179bab8ed6f824d27369d814cc [0,3,0,0,0,0|0,0,1]=4 28074 B12R0.234 CC(C)SCCOCCCCC=O 59ca8f7786d17038abfda86e7f1c5adf [0,3,0,0,0,0|0,0,1]=4 28075 B12R0.234 CC(C)SCCOCCCCCF 89808448b7436c5c11fa314116b26202 [0,3,0,0,0,0|0,0,0]=3 28076 B12R0.234 CC(C)SCCOCCOCCF 51b9846ae6e57d07744f63889893112f [0,3,0,0,0,0|1,0,0]=4 28077 B12R0.234 CC(C)SCCOCCOCCS cdbde9ccbdd0a163509bb6924b1184b7 [0,3,0,0,0,0|1,0,0]=4 28078 B12R0.234 CC(O)CCCCNCCCCCl 964e66a2c00fd7714542c7df009673cd [0,3,0,0,0,0|1,0,0]=4 28079 B12R0.234 CC(O)CCCCNCCCCO 6f591ba8b394fe6a8130663abe33f70d [0,3,0,0,0,0|1,0,0]=4 28080 B12R0.234 CC(O)CCCCNCCCCS 65907c50c768a761610cad162ee02a9c [0,3,0,0,0,0|1,0,0]=4 28081 B12R0.234 CC(O)CCCNCCCCC#N be699a2899889f9f5a12f5060733db32 [0,3,0,0,0,0|1,0,0]=4 28082 B12R0.234 CC(O)CCCNCCCCCCl 4df170a03b9ab05609d21b4971c52552 [0,3,0,0,0,0|1,0,0]=4 28083 B12R0.234 CC(O)CCCNCCCCCO 89d286fb2c0daa27ff15e812eb4ced9f [0,3,0,0,0,0|1,0,0]=4 28084 B12R0.234 CC(O)CCCNCCOCCO 8587f910562ce98165fd27458bf4d47d [0,3,0,0,0,0|1,0,0]=4 28085 B12R0.234 CC(O)CCCNCCOCCS c99d486236ceb487b2131d67db104ba1 [0,3,0,0,0,0|1,0,0]=4 28086 B12R0.234 CC(O)CCCNCCSCCO 70c853c48170f1e9c82e6b0ad6d21308 [0,3,0,0,0,0|1,0,0]=4 28087 B12R0.234 CC(O)CCNCCCCCC#N 17126e6955c5c8a82bb2da7a8e23f916 [0,3,0,0,0,0|1,0,0]=4 28088 B12R0.234 CC(O)CCNCCCCCC=O f6ffa5a24e74baeb962851759372c299 [0,3,0,0,0,0|1,0,0]=4 28089 B12R0.234 CC(O)CCNCCCCCCCl ed4b7052b8c0181ed653f8584a3690b9 [0,3,0,0,0,0|1,0,0]=4 28090 B12R0.234 CC(O)CCNCCCCCCF 31bfdbfdaaf195274fac3c5f2d8f8019 [0,3,0,0,0,0|1,0,0]=4 28091 B12R0.234 CC(O)CCNCCCCCCO cec5839655eba3390204b94252b0162a [0,3,0,0,0,0|1,0,0]=4 28092 B12R0.234 CC(O)CCNCCCOCCO ee8e5ee6a2d66b4acaf05317bb6547d4 [0,3,0,0,0,0|1,0,0]=4 28093 B12R0.234 CC(O)CCNCCOCCCO e6387dab930dae0b739d4c0e5727c292 [0,3,0,0,0,0|1,0,0]=4 28094 B12R0.234 CC(O)CNCCCCCCCO 5b58b6c518af704f6a565f93bf8d0622 [0,3,0,0,0,0|1,0,0]=4 28095 B12R0.234 CC(O)CNCCCOCCCO 8f079fe4671ce5239c93790bd4bbe2c3 [0,3,0,0,0,0|1,0,0]=4 28096 B12R0.234 CC/C=C/CCOCCCC(=O)C 5ff156b625ccad76578ef5eaf9b4618e [0,3,0,0,0,0|0,0,1]=4 28097 B12R0.234 CC/C=C/CCOCCCC(C)C 1eb99eb54c62da2dd92d4d02a30dd5d1 [0,3,0,0,0,0|0,0,0]=3 28098 B12R0.234 CC/C=C/CCOCCCN(C)C 72bc2463d78afbf908583c068ee16885 [0,3,0,0,0,0|0,0,1]=4 28099 B12R0.234 CC/C=C/CCOCCOC(C)C 219bd986ec826157109d5665af051d22 [0,3,0,0,0,0|0,0,1]=4 28100 B12R0.234 CC/C=C/CCOCCSC(C)C 6f2e7f664c3cb770ba0da7ff420c4480 [0,3,0,0,0,0|0,0,1]=4 28101 B12R0.234 CC/C=C/COCCCCC(=O)C 3ab3917684129170903183d5838c173f [0,3,0,0,0,0|0,0,1]=4 28102 B12R0.234 CC/C=C/COCCCCC(C)C 0dbebceb5bb3ceef69f17d38af4d39bb [0,3,0,0,0,0|0,0,1]=4 28103 B12R0.234 CC/C=C/COCCCCN(C)C 544bbd4ba96dd45bff0c98afe81cb921 [0,3,0,0,0,0|0,0,1]=4 28104 B12R0.234 CC/C=C/COCCCOC(C)C 915cf61c1ee4c0a298e7b22bd83a3507 [0,3,0,0,0,0|0,0,1]=4 28105 B12R0.234 CC/C=C/COCCCSC(C)C b2fbeac4deb6c807f0c4b2d71b7b3322 [0,3,0,0,0,0|0,0,1]=4 28106 B12R0.234 CC/C=C/COCCOCC(C)C 395a6a017cca2d806c6a3f901fb1bfff [0,3,0,0,0,0|0,0,1]=4 28107 B12R0.234 CC/C=C/COCCSCC(C)C 8c0abf6c377bb0c3b31a7d388568fe5a [0,3,0,0,0,0|0,0,1]=4 28108 B12R0.234 CC/C=C\CCCOCCC(=O)C f5b56266d805e6125613210f70e7169f [0,3,0,0,0,0|0,0,1]=4 28109 B12R0.234 CC/C=C\CCCOCCC(C)C 373c5697820a50598e1e95195de64550 [0,3,0,0,0,0|0,0,0]=3 28110 B12R0.234 CC/C=C\CCCOCCN(C)C 456024936e2f3aee8ccd8f3798a97f47 [0,3,0,0,0,0|1,0,0]=4 28111 B12R0.234 CC/C=C\CCCOCCS(=O)C bbd4c7ce6d3a28f6799e2907a2f342af [0,3,0,0,0,0|1,0,0]=4 28112 B12R0.234 CC/C=C\CCCOCOC(C)C ed50843aa7282fbd3e96b243347bbc01 [0,3,0,0,0,0|1,0,0]=4 28113 B12R0.234 CC/C=C\CCNCCCC(C)C a2357bcd98e5361c725cecd10de4c1a7 [0,3,0,0,0,0|1,0,0]=4 28114 B12R0.234 CC/C=C\CCOCCCC(=O)C 9a0ab707ba3df73a5a9fc9ca0eaba9d3 [0,3,0,0,0,0|0,0,1]=4 28115 B12R0.234 CC/C=C\CCOCCCC(C)C de3528522f32f7a55475bcc84ceecc46 [0,3,0,0,0,0|0,0,0]=3 28116 B12R0.234 CC/C=C\CCOCCCN(C)C db78c969be61129225a3194ee8e677eb [0,3,0,0,0,0|0,0,1]=4 28117 B12R0.234 CC/C=C\CCOCCOC(C)C ca708b4b216f8a40b56da48e29da2741 [0,3,0,0,0,0|0,0,1]=4 28118 B12R0.234 CC/C=C\CCOCCSC(C)C 0850e07c834667a036c57ea894b80df7 [0,3,0,0,0,0|0,0,1]=4 28119 B12R0.234 CC/C=C\COCCCCC(=O)C 96b9eab5077cbc47ffc86e810df2931f [0,3,0,0,0,0|0,0,1]=4 28120 B12R0.234 CC/C=C\COCCCCC(C)C 9dd11cb2e23f7d976ca9e4aa43272479 [0,3,0,0,0,0|0,0,1]=4 28121 B12R0.234 CC/C=C\COCCCCN(C)C c66cbb5caa5067c1a73cccb6dd9afc12 [0,3,0,0,0,0|0,0,1]=4 28122 B12R0.234 CC/C=C\COCCOCC(C)C 535a010d10524388570696510cbe02d7 [0,3,0,0,0,0|0,0,1]=4 28123 B12R0.234 CC=C=CCCOCCCC(C)C 4faab4757d5a62deca240fdc7aeb6dd0 [0,3,0,0,0,0|0,0,1]=4 28124 B12R0.234 CC=CCCCOCCCC(=O)C 8d56fa52e8dda8d3852bd1f59277c55d [0,3,0,0,0,0|0,0,1]=4 28125 B12R0.234 CC=CCCCOCCCC(C)C e523e50fb1ef2881d12053c52acaecd1 [0,3,0,0,0,0|0,0,0]=3 28126 B12R0.234 CC=CCCCOCCCN(C)C 2209a4916c7891a4f873fd711b2a6579 [0,3,0,0,0,0|0,0,1]=4 28127 B12R0.234 CC=CCCCOCCOC(C)C cef2b1a87ec184d4b1ed9bd0b75d4cc3 [0,3,0,0,0,0|0,0,1]=4 28128 B12R0.234 CC=CCCCOCCSC(C)C 57da2f56b0dedb80c7006a1d845dd27a [0,3,0,0,0,0|0,0,1]=4 28129 B12R0.234 CCC#CCCOCCCC(=O)C d7e9a9bec943870c79d8d1cb741041ff [0,3,0,0,0,0|0,0,1]=4 28130 B12R0.234 CCC#CCCOCCCC(C)C d783f16b67f36ce74af503ee774dcb06 [0,3,0,0,0,0|0,0,0]=3 28131 B12R0.234 CCC#CCCOCCCN(C)C 436130d2b2050bf2659130caa07a115a [0,3,0,0,0,0|0,0,1]=4 28132 B12R0.234 CCC#CCCOCCOC(C)C 3e1ccc54ceb3b50acbb588db0f4ba8e5 [0,3,0,0,0,0|0,0,1]=4 28133 B12R0.234 CCC#CCCOCCSC(C)C e2954d904d02d58a6ef9f79ce6b0f446 [0,3,0,0,0,0|0,0,1]=4 28134 B12R0.234 CCC#CCOCCCCC(=O)C 6a8f1c3e497effead15d766b3dfb005f [0,3,0,0,0,0|0,0,1]=4 28135 B12R0.234 CCC#CCOCCCCC(C)C 2e7c721181134648d5efe62bbd8cc7ec [0,3,0,0,0,0|0,0,1]=4 28136 B12R0.234 CCC#CCOCCCCN(C)C 682afdb85847f21af06c42a1ada58f06 [0,3,0,0,0,0|0,0,1]=4 28137 B12R0.234 CCC#CCOCCCOC(C)C 607452b4a0daf39c1346d15eb789bad0 [0,3,0,0,0,0|0,0,1]=4 28138 B12R0.234 CCC#CCOCCCSC(C)C bb3809fa12d401db15590ffa63e4b7e3 [0,3,0,0,0,0|0,0,1]=4 28139 B12R0.234 CCC#CCOCCOCC(C)C 2e9fbcfa2f0160f81a69dde145c29ee2 [0,3,0,0,0,0|0,0,1]=4 28140 B12R0.234 CCC#CCOCCSCC(C)C 44412d121f939db63a15a868b2d5cd25 [0,3,0,0,0,0|0,0,1]=4 28141 B12R0.234 CCC/C=C/CNCCCC(C)C 8029d14f57bb78a8c0ac830b28604c6e [0,3,0,0,0,0|1,0,0]=4 28142 B12R0.234 CCC/C=C/COCCCC(=O)C 97e111c86735580d3a49bde5f05fa926 [0,3,0,0,0,0|0,0,1]=4 28143 B12R0.234 CCC/C=C/COCCCC(C)C be00091939605d696500ec3dff15fa5b [0,3,0,0,0,0|0,0,0]=3 28144 B12R0.234 CCC/C=C/COCCCN(C)C 3434e9764614b48e267d3c516e78fe54 [0,3,0,0,0,0|0,0,1]=4 28145 B12R0.234 CCC/C=C/COCCOC(C)C 2e4f2f0170f024a17c9bf71de52a2e9a [0,3,0,0,0,0|0,0,1]=4 28146 B12R0.234 CCC/C=C/COCCSC(C)C 5feca76d8b685a1c8aa7562304a1797a [0,3,0,0,0,0|0,0,1]=4 28147 B12R0.234 CCC/C=C\CCOCCC(=O)C b4a650184e55c4f191fa85f4026bb108 [0,3,0,0,0,0|0,0,1]=4 28148 B12R0.234 CCC/C=C\CCOCCC(C)C 4fe0b6b8d7b85c88a7aa56f9e9ff708b [0,3,0,0,0,0|0,0,0]=3 28149 B12R0.234 CCC/C=C\CCOCCN(C)C 6a473b51b75aff8545e565c71f91176c [0,3,0,0,0,0|1,0,0]=4 28150 B12R0.234 CCC/C=C\CCOCCS(=O)C ff1d72d25eed274f845754647922a957 [0,3,0,0,0,0|1,0,0]=4 28151 B12R0.234 CCC/C=C\CCOCOC(C)C 99a0507995660cebaa8266cd531c298c [0,3,0,0,0,0|1,0,0]=4 28152 B12R0.234 CCC/C=C\CNCCCC(C)C 4c8e53a77330717f54304df957a94ac4 [0,3,0,0,0,0|1,0,0]=4 28153 B12R0.234 CCC/C=C\COCCCC(=O)C bd3f6a1741ffd08cd0f8eab22f7f947c [0,3,0,0,0,0|0,0,1]=4 28154 B12R0.234 CCC/C=C\COCCCC(C)C 3469bdf5badbb9d71282fe886382c8ae [0,3,0,0,0,0|0,0,0]=3 28155 B12R0.234 CCC/C=C\COCCCN(C)C 1074838a5ffea8669c02482e0fa362f1 [0,3,0,0,0,0|0,0,1]=4 28156 B12R0.234 CCC/C=C\COCCOC(C)C 3b21b4b0a9285bfba46532d03a7a53eb [0,3,0,0,0,0|0,0,1]=4 28157 B12R0.234 CCC/C=C\COCCSC(C)C dbe0c15af5744b65832956031a86a571 [0,3,0,0,0,0|0,0,1]=4 28158 B12R0.234 CCCC#CCCOCCC(=O)C 8b8fcf1b069411fa01d24242e74e5456 [0,3,0,0,0,0|0,0,1]=4 28159 B12R0.234 CCCC#CCCOCCC(C)C daacb4cc7b58dafc6d7cb20161cc0f6a [0,3,0,0,0,0|0,0,0]=3 28160 B12R0.234 CCCC#CCCOCCN(C)C 25087dcc5191526c8cd575c0d7e95dd0 [0,3,0,0,0,0|1,0,0]=4 28161 B12R0.234 CCCC#CCCOCCS(=O)C 2d117c45af4c282c5dcd79a02214319c [0,3,0,0,0,0|1,0,0]=4 28162 B12R0.234 CCCC#CCCOCOC(C)C 2245414642aa0000562cd0d29ff30d14 [0,3,0,0,0,0|1,0,0]=4 28163 B12R0.234 CCCC#CCOCCCC(=O)C a2d37fa7f48a3cd2ab13f1c8da5c69d2 [0,3,0,0,0,0|0,0,1]=4 28164 B12R0.234 CCCC#CCOCCCC(C)C d280c91a4059d0910b9e967ad07034ba [0,3,0,0,0,0|0,0,0]=3 28165 B12R0.234 CCCC#CCOCCCN(C)C 4f1c4ccbc85a81e256198b2eb4c18936 [0,3,0,0,0,0|0,0,1]=4 28166 B12R0.234 CCCC#CCOCCOC(C)C 274c5f8cf0fd316e779350b1b4189998 [0,3,0,0,0,0|0,0,1]=4 28167 B12R0.234 CCCC#CCOCCSC(C)C cf737320e9a215c285733a191e1ea668 [0,3,0,0,0,0|0,0,1]=4 28168 B12R0.234 CCCC/C=C/CNCCC(C)C 06287e1890b2aa517e05c1180cd41dc3 [0,3,0,0,0,0|1,0,0]=4 28169 B12R0.234 CCCC/C=C/CNCCC(C)O 06362a372b60629d8c6ddf1f3c5193e9 [0,3,0,0,0,0|1,0,0]=4 28170 B12R0.234 CCCC/C=C/CNCC[C@@H](C)O ed7af8fe5fce0f06de854387f70b960a [0,3,0,0,0,0|1,0,0]=4 28171 B12R0.234 CCCC/C=C/CNCC[C@H](C)O f77c1ba6bd7d5cd7b18dd70a4ad265bc [0,3,0,0,0,0|1,0,0]=4 28172 B12R0.234 CCCC/C=C/COCCC(=O)C e690936f1679374985afb610fa020fa5 [0,3,0,0,0,0|0,0,1]=4 28173 B12R0.234 CCCC/C=C/COCCC(C)C 47f1d0d9cf7e98555cead7d1b1a26d46 [0,3,0,0,0,0|0,0,0]=3 28174 B12R0.234 CCCC/C=C/COCCC(F)F 4d11560c1cbc3b8558d564435d5eb75a [0,3,0,0,0,0|1,0,0]=4 28175 B12R0.234 CCCC/C=C/COCCN(C)C 20e8fdb4effa0fc8d1760aa87d2f227f [0,3,0,0,0,0|1,0,0]=4 28176 B12R0.234 CCCC/C=C/COCCS(=O)C c3b810f210f81e549a7e31c384073b13 [0,3,0,0,0,0|1,0,0]=4 28177 B12R0.234 CCCC/C=C/COCOC(C)C 4ecbeccb3bfc3399b1fb74fd03c77cad [0,3,0,0,0,0|1,0,0]=4 28178 B12R0.234 CCCC/C=C\CCOCC(C)C a0b8c7a38b55de5af0ae3aa391c0d9b6 [0,3,0,0,0,0|1,0,0]=4 28179 B12R0.234 CCCC/C=C\CNCCC(C)C b2e16dd59c66f7e4a1979024c2657373 [0,3,0,0,0,0|1,0,0]=4 28180 B12R0.234 CCCC/C=C\CNCCC(C)O eb29e4464bcfb88d8fb58836078a6946 [0,3,0,0,0,0|1,0,0]=4 28181 B12R0.234 CCCC/C=C\CNCC[C@@H](C)O 1ac984409c4ee0afffadc68f6d47aeda [0,3,0,0,0,0|1,0,0]=4 28182 B12R0.234 CCCC/C=C\CNCC[C@H](C)O 70588edc4ea2e2434a7e91e57dafb331 [0,3,0,0,0,0|1,0,0]=4 28183 B12R0.234 CCCC/C=C\COCCC(=O)C 9740032f741dbd407e6ddbf099642172 [0,3,0,0,0,0|0,0,1]=4 28184 B12R0.234 CCCC/C=C\COCCC(C)C d5823a6a9c10702692a20a19c1804dbf [0,3,0,0,0,0|0,0,0]=3 28185 B12R0.234 CCCC/C=C\COCCC(F)F f3b86fffd7cfc08aad466d762f44bf36 [0,3,0,0,0,0|1,0,0]=4 28186 B12R0.234 CCCC/C=C\COCCN(C)C 73b7a477a50d3d2656797cdda3e036d3 [0,3,0,0,0,0|1,0,0]=4 28187 B12R0.234 CCCC/C=C\COCCS(=O)C 9f550862ecb37d9a02384e82b861e0c3 [0,3,0,0,0,0|1,0,0]=4 28188 B12R0.234 CCCCC#CCCOCC(C)C b942fc776721f15c633ded33d2bae15e [0,3,0,0,0,0|1,0,0]=4 28189 B12R0.234 CCCCC#CCOCCC(=O)C 2023fce3e99997c9d88b5b2afbd7f63f [0,3,0,0,0,0|0,0,1]=4 28190 B12R0.234 CCCCC#CCOCCC(C)C d69b2a304e5258207b2bad1fcccc1c93 [0,3,0,0,0,0|0,0,0]=3 28191 B12R0.234 CCCCC#CCOCCN(C)C 7d4164ebd01ff788024a8032dcabba01 [0,3,0,0,0,0|1,0,0]=4 28192 B12R0.234 CCCCC#CCOCCS(=O)C a805ea81ab07d353f1ba7e501d671272 [0,3,0,0,0,0|1,0,0]=4 28193 B12R0.234 CCCCC#CCOCOC(C)C 34585f2a20fd00cad56fae3a331761e2 [0,3,0,0,0,0|1,0,0]=4 28194 B12R0.234 CCCCC/C=C/COCC(C)C dd85fdb40bbbca52817c0ae18b5d5d06 [0,3,0,0,0,0|1,0,0]=4 28195 B12R0.234 CCCCC/C=C\CCOC(C)C 9a5647d49db33bcc97a1d3d95e4cfbff [0,3,0,0,0,0|1,0,0]=4 28196 B12R0.234 CCCCCC#CCCOC(C)C c60b302de78ce81c4246a9b47d3f868b [0,3,0,0,0,0|1,0,0]=4 28197 B12R0.234 CCCCCC#CCOCC(C)C 501ca91005cdc1f415e7db82210c7b93 [0,3,0,0,0,0|1,0,0]=4 28198 B12R0.234 CCCCCCCCCNC(=O)C 5fcb67754cb579f2f81659cca014b221 [0,3,0,0,0,0|1,0,0]=4 28199 B12R0.234 CCCCCCCCCNC(C)C 633b87e87241210ce29b4c891b10d156 [0,3,0,0,0,0|1,0,0]=4 28200 B12R0.234 CCCCCCCCCOC(C)C 5bfa3d51b03e273aa1342ee47e729825 [0,3,0,0,0,0|1,0,0]=4 28201 B12R0.234 CCCCCCCCNCC(=O)C 843a2cfb38179d3b3caf9d0d2340122f [0,3,0,0,0,0|1,0,0]=4 28202 B12R0.234 CCCCCCCCNCC(C)C edc2de24352412e89c0daea62e82a9f2 [0,3,0,0,0,0|1,0,0]=4 28203 B12R0.234 CCCCCCCCNCC(C)O 2ef8cc6de61c88a08a694653cec27f91 [0,3,0,0,0,0|1,0,0]=4 28204 B12R0.234 CCCCCCCCNCC(F)F 15e671588ddab528663a82538c54c026 [0,3,0,0,0,0|1,0,0]=4 28205 B12R0.234 CCCCCCCCNCN(C)C b34813edb2d1d53a044538aa140a0b2b [0,3,0,0,0,0|1,0,0]=4 28206 B12R0.234 CCCCCCCCNC[C@@H](C)O b95eeee27d9fa25791056fa2e6d0104a [0,3,0,0,0,0|1,0,0]=4 28207 B12R0.234 CCCCCCCCNC[C@H](C)O 259d26ce885c1415cf78f53d5926aa88 [0,3,0,0,0,0|1,0,0]=4 28208 B12R0.234 CCCCCCCCOCC(=O)C 975d1e04c005a3736c3d966e413ed9a4 [0,3,0,0,0,0|1,0,0]=4 28209 B12R0.234 CCCCCCCCOCC(C)C 86fa86f500776572e8f262245d9511e3 [0,3,0,0,0,0|1,0,0]=4 28210 B12R0.234 CCCCCCCCOCC(C)F ae1ca7e455dece962dc9262c593430ce [0,3,0,0,0,0|1,0,0]=4 28211 B12R0.234 CCCCCCCCOCC(C)S 2ade3d64af1a31c78f3b01dffc3145c2 [0,3,0,0,0,0|1,0,0]=4 28212 B12R0.234 CCCCCCCCOCC(F)F b17d4ef6b61ef484846f30a2979782b8 [0,3,0,0,0,0|1,0,0]=4 28213 B12R0.234 CCCCCCCCOCN(C)C 22d9cc71c7e8d015c42ae3d213047031 [0,3,0,0,0,0|1,0,0]=4 28214 B12R0.234 CCCCCCCCOC[C@@H](C)F 425190a999d384b9c5630093b2067c8a [0,3,0,0,0,0|1,0,0]=4 28215 B12R0.234 CCCCCCCCOC[C@H](C)F cc082e90c22cc1ff82b417a9c15691e0 [0,3,0,0,0,0|1,0,0]=4 28216 B12R0.234 CCCCCCCNCCC(=O)C ab9de0fc6e0b0e78dd96f7b6d4b54397 [0,3,0,0,0,0|1,0,0]=4 28217 B12R0.234 CCCCCCCNCCC(C)C ef7cdc64c30b34e0c8305194073ddf16 [0,3,0,0,0,0|1,0,0]=4 28218 B12R0.234 CCCCCCCNCCC(C)O 46c6fa42f475c5b9fdf795a105468042 [0,3,0,0,0,0|1,0,0]=4 28219 B12R0.234 CCCCCCCNCCC(F)F 6a8780d96c5c0a843ed64f6501d9f7cd [0,3,0,0,0,0|1,0,0]=4 28220 B12R0.234 CCCCCCCNCCN(C)C 4abef3c329235d92f65d0601a165e487 [0,3,0,0,0,0|1,0,0]=4 28221 B12R0.234 CCCCCCCNCCS(=O)C d2c6971c249e50ee09f9fa0ab59349cc [0,3,0,0,0,0|1,0,0]=4 28222 B12R0.234 CCCCCCCNCC[C@@H](C)O d8b7b78276e6589d71be024e1f1f86de [0,3,0,0,0,0|1,0,0]=4 28223 B12R0.234 CCCCCCCNCC[C@H](C)O 71c1a0ee238684f7ba5730029f8afc27 [0,3,0,0,0,0|1,0,0]=4 28224 B12R0.234 CCCCCCCNCOC(C)C 34e19e1e7f41450b977ee0d17598a11d [0,3,0,0,0,0|1,0,0]=4 28225 B12R0.234 CCCCCCCOCCC(=O)C e4aa55eb37e4a9deb95ffd7f03207921 [0,3,0,0,0,0|0,0,1]=4 28226 B12R0.234 CCCCCCCOCCC(C)C 7b4e8cf3be867280f595306a642671c2 [0,3,0,0,0,0|0,0,0]=3 28227 B12R0.234 CCCCCCCOCCC(F)F 70011af9091ea7bbf9ec569d58fc880c [0,3,0,0,0,0|1,0,0]=4 28228 B12R0.234 CCCCCCCOCCN(C)C 3d83ed7418c7b5f1512586c2a8bf6cd1 [0,3,0,0,0,0|1,0,0]=4 28229 B12R0.234 CCCCCCCOCCS(=O)C 440cf1793ac784a097c757205b2732d9 [0,3,0,0,0,0|1,0,0]=4 28230 B12R0.234 CCCCCCCOCOC(C)C a66d0073b019d10978cd0fbf61878ed8 [0,3,0,0,0,0|1,0,0]=4 28231 B12R0.234 CCCCCCNCCCC(=O)C 4237140c45387a29125de17b57d911d0 [0,3,0,0,0,0|1,0,0]=4 28232 B12R0.234 CCCCCCNCCCC(C)C 0f29d09636d4ade1077cb5b342674e86 [0,3,0,0,0,0|1,0,0]=4 28233 B12R0.234 CCCCCCNCCCC(C)O 64883e7be3613ca791393331610df0c6 [0,3,0,0,0,0|1,0,0]=4 28234 B12R0.234 CCCCCCNCCCN(C)C d7f27cb8a9b0f12cc37cba3a2f2e0c9f [0,3,0,0,0,0|1,0,0]=4 28235 B12R0.234 CCCCCCNCCCS(=O)C 8f467f3e0360cbe7ec9d0c5711b27369 [0,3,0,0,0,0|1,0,0]=4 28236 B12R0.234 CCCCCCNCCOC(C)C 19d4413db4709751cc65752cd40c00a5 [0,3,0,0,0,0|1,0,0]=4 28237 B12R0.234 CCCCCCNCCSC(C)C 128536f0808a10632243ea0b00afac7f [0,3,0,0,0,0|1,0,0]=4 28238 B12R0.234 CCCCCCOC/C=C/C(C)C 779e2bdcb188de6d6af2f476df7240be [0,3,0,0,0,0|0,0,1]=4 28239 B12R0.234 CCCCCCOCCC=C(C)C 44c9c7672119671e5f69a9791d59b173 [0,3,0,0,0,0|0,0,1]=4 28240 B12R0.234 CCCCCCOCCCC(=O)C 21a282bc9702686e7106e1ffe8f5e3e8 [0,3,0,0,0,0|0,0,0]=3 28241 B12R0.234 CCCCCCOCCCC(=O)N ed8f97a3043f9d940f4f0551572131c1 [0,3,0,0,0,0|0,0,1]=4 28242 B12R0.234 CCCCCCOCCCC(C)C 77a66c107ba53b6c1dd34c94b5f1dcae [0,3,0,0,0,0|0,0,0]=3 28243 B12R0.234 CCCCCCOCCCN(C)C 7e31b4a2494d29d3c564483431b37ecf [0,3,0,0,0,0|0,0,0]=3 28244 B12R0.234 CCCCCCOCCC[N+](=O)[O-] 5495ea670f75912a65c673b6ecadf383 [0,3,0,0,0,0|1,0,0]=4 28245 B12R0.234 CCCCCCOCCNC(=O)C 5a81c1ba5342d93ff8efab51f772c115 [0,3,0,0,0,0|0,0,1]=4 28246 B12R0.234 CCCCCCOCCOC(=O)C c976678a6b281cbeb8d86df12cc7c5bc [0,3,0,0,0,0|0,0,1]=4 28247 B12R0.234 CCCCCCOCCOC(C)C 67309bc145873b53e809aa3e700f45ab [0,3,0,0,0,0|0,0,0]=3 28248 B12R0.234 CCCCCCOCCOC(F)F 83509db779fcdcd3c8542c6b35eb91b0 [0,3,0,0,0,0|1,0,0]=4 28249 B12R0.234 CCCCCCOCCSC(=O)C 1f11bdb2561a91ddd2623515c77a997c [0,3,0,0,0,0|0,0,1]=4 28250 B12R0.234 CCCCCCOCCSC(C)C 374a60c2254b44482eceee092ddf2ed4 [0,3,0,0,0,0|0,0,0]=3 28251 B12R0.234 CCCCCNCCCCC(=O)C dc4186c3df002a1751f5b68bbd0e09e8 [0,3,0,0,0,0|1,0,0]=4 28252 B12R0.234 CCCCCNCCCCC(=O)N 792c73d83695f0c6b1c51accfc11ffb7 [0,3,0,0,0,0|1,0,0]=4 28253 B12R0.234 CCCCCNCCCCC(=O)O 2025641bcbba83afa908fa317adfc621 [0,3,0,0,0,0|1,0,0]=4 28254 B12R0.234 CCCCCNCCCCC(C)C 77619bb2a003ac28a8389daad0d73dc0 [0,3,0,0,0,0|1,0,0]=4 28255 B12R0.234 CCCCCNCCCCC(C)O 09f507821b174cb9dc8b0069b827deb5 [0,3,0,0,0,0|1,0,0]=4 28256 B12R0.234 CCCCCNCCCCC(F)F 6c8d1902b50d7d2754f35e9146232653 [0,3,0,0,0,0|1,0,0]=4 28257 B12R0.234 CCCCCNCCCCN(C)C c022429f40983350da605ae61176788d [0,3,0,0,0,0|1,0,0]=4 28258 B12R0.234 CCCCCNCCCC[C@@H](C)O f281a32fc86dc68ed462aa4cc12815ea [0,3,0,0,0,0|1,0,0]=4 28259 B12R0.234 CCCCCNCCCNC(=O)C d79126de0b63edd10f9e7c1628412f11 [0,3,0,0,0,0|1,0,0]=4 28260 B12R0.234 CCCCCNCCCOC(=O)C 423c88eb7c9ef3c2030cf82f13884d85 [0,3,0,0,0,0|1,0,0]=4 28261 B12R0.234 CCCCCNCCCOC(=S)C f6619d057ec2f7ffddccd5ab0e64ed5f [0,3,0,0,0,0|1,0,0]=4 28262 B12R0.234 CCCCCNCCCOC(C)C b37e6d9a4b55409e85bff88d8f736136 [0,3,0,0,0,0|1,0,0]=4 28263 B12R0.234 CCCCCNCCCOC(F)F c9c49984509f76263dd306e30c2776ea [0,3,0,0,0,0|1,0,0]=4 28264 B12R0.234 CCCCCNCCCSC(=O)C 42d5feecab52fd3360f8eb81b6687e0c [0,3,0,0,0,0|1,0,0]=4 28265 B12R0.234 CCCCCNCCCSC(C)C 4115a3212ea6c528e52f68be9c5c87f3 [0,3,0,0,0,0|1,0,0]=4 28266 B12R0.234 CCCCCNCCOCC(C)C ac1695bfde0259f3d09acd70e781b7ba [0,3,0,0,0,0|1,0,0]=4 28267 B12R0.234 CCCCCNCCOCC(F)F 95f21530e7de0ebf9aadb717a6968cc5 [0,3,0,0,0,0|1,0,0]=4 28268 B12R0.234 CCCCCOCCC=C=C(C)C f3325d13b10f737ee97a4898a771fe8f [0,3,0,0,0,0|0,0,1]=4 28269 B12R0.234 CCCCCOCCCCC(=O)C e9f945235295e2068ec066faab0e9b72 [0,3,0,0,0,0|0,0,0]=3 28270 B12R0.234 CCCCCOCCCCC(=O)N 530a460316a7be743482dd552f5a7478 [0,3,0,0,0,0|0,0,0]=3 28271 B12R0.234 CCCCCOCCCCC(=O)O c7ef8c838f309db77667febcb5863413 [0,3,0,0,0,0|0,0,0]=3 28272 B12R0.234 CCCCCOCCCCC(C)C 051429fa7b3297c644ec6896bac0dcbb [0,3,0,0,0,0|0,0,0]=3 28273 B12R0.234 CCCCCOCCCCN(C)C 3d89657b06ce8ccb79338e13346bc4fa [0,3,0,0,0,0|0,0,0]=3 28274 B12R0.234 CCCCCOCCCC[N+](=O)[O-] 44cb9280ff8dffe54c5a566f1f70931e [0,3,0,0,0,0|0,0,0]=3 28275 B12R0.234 CCCCCOCCCNC(=O)C 7c08b7feaf0f7499cc24d3b322b2e100 [0,3,0,0,0,0|0,0,0]=3 28276 B12R0.234 CCCCCOCCCOC(=O)C 34af0b0fadb315ed42fdff80d0677b37 [0,3,0,0,0,0|0,0,0]=3 28277 B12R0.234 CCCCCOCCCOC(=S)C 1f0079a3bd0a123dfa1a8bcdf2c82063 [0,3,0,0,0,0|0,0,0]=3 28278 B12R0.234 CCCCCOCCCOC(C)C 8b5fd0a550826c77432894feaa290be6 [0,3,0,0,0,0|0,0,0]=3 28279 B12R0.234 CCCCCOCCCO[N+](=O)[O-] c8a9b46d6b7b46b110847ebe0768d91c [0,3,0,0,0,0|1,0,0]=4 28280 B12R0.234 CCCCCOCCCSC(=O)C c032542397a714bf31a432f4d3a19b4c [0,3,0,0,0,0|0,0,0]=3 28281 B12R0.234 CCCCCOCCCSC(C)C 8e5238f83c3a8e7e198dc3ca9e5d279d [0,3,0,0,0,0|0,0,0]=3 28282 B12R0.234 CCCCCOCCOCC(=O)N 78496312a8244b65003821c10e930475 [0,3,0,0,0,0|0,0,1]=4 28283 B12R0.234 CCCCCOCCOCC(=O)O 90f5a7a87dfe47c6baf748d44799d2a4 [0,3,0,0,0,0|0,0,1]=4 28284 B12R0.234 CCCCCOCCOCC(C)C 72ce4fe0757cfd3052c0a57ccc716337 [0,3,0,0,0,0|0,0,0]=3 28285 B12R0.234 CCCCCOCCOCC(F)F d8a39706fb53ce6f56b0c43ba9c86697 [0,3,0,0,0,0|0,0,0]=3 28286 B12R0.234 CCCCCOCCOCN(C)C b6ef6c390432fa32fdf556808c2d7503 [0,3,0,0,0,0|0,0,0]=3 28287 B12R0.234 CCCCCOCCOC[N+](=O)[O-] 40b415526fd7b252f067242af5fe9990 [0,3,0,0,0,0|1,0,0]=4 28288 B12R0.234 CCCCCOCCSCC(=O)N a7b1609eb192f287ffa4e5c701d99fa9 [0,3,0,0,0,0|0,0,1]=4 28289 B12R0.234 CCCCCOCCSCC(C)C 66dfd9145ffca8bb48b3ecac682eaf8d [0,3,0,0,0,0|0,0,0]=3 28290 B12R0.234 CCCCNCCCCCC(=O)C 701c3ae3670d1ba04699f1fa3077ef26 [0,3,0,0,0,0|1,0,0]=4 28291 B12R0.234 CCCCNCCCCCC(=O)N 6d0265cb32df3084824ffb8bebfc96b6 [0,3,0,0,0,0|1,0,0]=4 28292 B12R0.234 CCCCNCCCCCC(=O)O d4c182fcc67a7ce7c55b799b06a1174d [0,3,0,0,0,0|1,0,0]=4 28293 B12R0.234 CCCCNCCCCCC(C)C de49912e4efc404aa9340aeea692cfcf [0,3,0,0,0,0|1,0,0]=4 28294 B12R0.234 CCCCNCCCCCC(F)F 009d1045925b3912f8565c8a734d99d8 [0,3,0,0,0,0|1,0,0]=4 28295 B12R0.234 CCCCNCCCCCN(C)C a37604dc9e8c167ef751e9372ad9fac1 [0,3,0,0,0,0|1,0,0]=4 28296 B12R0.234 CCCCNCCCCNC(=O)C beb884073d6a6a9697fc9296171d0dfc [0,3,0,0,0,0|1,0,0]=4 28297 B12R0.234 CCCCNCCCCOC(=O)C b3358e88a24e4565228a2198d21215eb [0,3,0,0,0,0|1,0,0]=4 28298 B12R0.234 CCCCNCCCCOC(F)F 2dd86beed7718839dbd93cc54ddb226b [0,3,0,0,0,0|1,0,0]=4 28299 B12R0.234 CCCCNCCCCSC(=O)C 955b96a5f70c81ffc05ca30332fbb700 [0,3,0,0,0,0|1,0,0]=4 28300 B12R0.234 CCCCNCCCOCC(C)C eb68c5f9417e3cc8bd0bbd6bf97abdf1 [0,3,0,0,0,0|1,0,0]=4 28301 B12R0.234 CCCCNCCOCCN(C)C 4db14d9cbecc5ea96bac1d6f0e3c59a6 [0,3,0,0,0,0|1,0,0]=4 28302 B12R0.234 CCCCNCOCCOC(=O)C ce41d1a8eff334810494a97ba3520b58 [0,3,0,0,0,0|0,0,1]=4 28303 B12R0.234 CCCCOCCCCCC(=O)C 0f08ac5a655c29744fd7707a663f4121 [0,3,0,0,0,0|0,0,0]=3 28304 B12R0.234 CCCCOCCCCCC(=O)N e904d535cab28bd8a699671139a91112 [0,3,0,0,0,0|0,0,0]=3 28305 B12R0.234 CCCCOCCCCCC(=O)O 7292906efe2519124d1759b2ec8cb916 [0,3,0,0,0,0|0,0,0]=3 28306 B12R0.234 CCCCOCCCCCC(C)C 1b591539c3f9bcd8285c6aa6d6262aed [0,3,0,0,0,0|0,0,0]=3 28307 B12R0.234 CCCCOCCCCCC(F)F 1726d53d329160f48f1594ee93a963a4 [0,3,0,0,0,0|0,0,0]=3 28308 B12R0.234 CCCCOCCCCCN(C)C f334f41bfbb7dffa31c984a90bba1c10 [0,3,0,0,0,0|0,0,0]=3 28309 B12R0.234 CCCCOCCCCOC(=O)C c996cbcbd03482799e1eeeee731eb29b [0,3,0,0,0,0|0,0,0]=3 28310 B12R0.234 CCCCOCCCCSC(=O)C 2db3862f438f590da8645f87511262fd [0,3,0,0,0,0|0,0,0]=3 28311 B12R0.234 CCCCOCCCNCC(=O)N 08c642f61a25e5c9c8787d6bdcbd8911 [0,3,0,0,0,0|0,0,1]=4 28312 B12R0.234 CCCCOCCCNCC(=O)O 27cdc24b902ba5a62df998cb9a9ce636 [0,3,0,0,0,0|0,0,1]=4 28313 B12R0.234 CCCCOCCCNCC(C)C 3bd7f5f5cbacbfcfe416d3750efd99fc [0,3,0,0,0,0|0,0,0]=3 28314 B12R0.234 CCCCOCCCNCC(C)O 5363eef4d9045be13f2dd60529241278 [0,3,0,0,0,0|0,0,0]=3 28315 B12R0.234 CCCCOCCCNCC(F)F d1ed0665c8d523c56650aa1f4a619caa [0,3,0,0,0,0|0,0,0]=3 28316 B12R0.234 CCCCOCCCNCN(C)C c8eaf53579ec0dbb57226bdae38f2d7d [0,3,0,0,0,0|0,0,0]=3 28317 B12R0.234 CCCCOCCCNC[C@@H](C)O 3bf84874cdf64dde6d0b7e62d75a98e3 [0,3,0,0,0,0|0,0,0]=3 28318 B12R0.234 CCCCOCCCNC[C@H](C)O aa6c5e73b06117453354d01ebd28d012 [0,3,0,0,0,0|0,0,0]=3 28319 B12R0.234 CCCCOCCCNC[N+](=O)[O-] da9ea0dab244c7a8f9f7ee6adf365137 [0,3,0,0,0,0|1,0,0]=4 28320 B12R0.234 CCCCOCCCOCC(=O)N e7951dad8c9eed2a5915fee49c5121cd [0,3,0,0,0,0|0,0,1]=4 28321 B12R0.234 CCCCOCCCOCC(=O)O 74959e98b33214a3a9e064d0a7b7c49a [0,3,0,0,0,0|0,0,1]=4 28322 B12R0.234 CCCCOCCCOCC(=S)N 33163efbb49992a9abbba6ec95ccde08 [0,3,0,0,0,0|0,0,1]=4 28323 B12R0.234 CCCCOCCCOCC(C)C 4027b72ed6a8c576a63b6362de0bc837 [0,3,0,0,0,0|0,0,0]=3 28324 B12R0.234 CCCCOCCCOCC(F)F 27c0fc2f150aa5cbc7bb0dc92d33a4ab [0,3,0,0,0,0|0,0,0]=3 28325 B12R0.234 CCCCOCCCOCN(C)C ad864e8409b17fa0ddcd189645025936 [0,3,0,0,0,0|0,0,0]=3 28326 B12R0.234 CCCCOCCCOC[N+](=O)[O-] 4d5ae9feaf206de6b9f11e0a4aa7212b [0,3,0,0,0,0|1,0,0]=4 28327 B12R0.234 CCCCOCCCSCC(C)C 1c64a7c39daada4a390036b113f3bc22 [0,3,0,0,0,0|0,0,0]=3 28328 B12R0.234 CCCCOCCNC/C=C(/C)\I 4df3e025fbdddb1ffc1c9ddd5c0442ca [0,3,0,0,0,0|0,0,1]=4 28329 B12R0.234 CCCCOCCNC/C=C(\C)/Cl 1a6f77e5706ef15e7318ff738a729c9f [0,3,0,0,0,0|0,0,1]=4 28330 B12R0.234 CCCCOCCNCC=C(C)C d50dfd78343db3fefadf79145f35424f [0,3,0,0,0,0|0,0,1]=4 28331 B12R0.234 CCCCOCCNCC=C(C)Cl 5cceb42e279b9310c22c9e649edb22ab [0,3,0,0,0,0|0,0,1]=4 28332 B12R0.234 CCCCOCCNCC=C(C)I 017879919a7a175aa4f1e6da964b1be4 [0,3,0,0,0,0|0,0,1]=4 28333 B12R0.234 CCCCOCCNCCC(=O)C ea99523e2322198738f2f7f3fc58e440 [0,3,0,0,0,0|0,0,0]=3 28334 B12R0.234 CCCCOCCNCCC(=O)N 3e4bc395209c636475b268fb9fdafa96 [0,3,0,0,0,0|0,0,1]=4 28335 B12R0.234 CCCCOCCNCCC(=O)O e93c16e846a86354b6055df0d6025a13 [0,3,0,0,0,0|0,0,1]=4 28336 B12R0.234 CCCCOCCNCCC(=S)N 5c2554b4490526daaa39c89d1d318542 [0,3,0,0,0,0|0,0,1]=4 28337 B12R0.234 CCCCOCCNCCC(C)C 712d0e5585c1add9b402bf8e8f031b5f [0,3,0,0,0,0|0,0,0]=3 28338 B12R0.234 CCCCOCCNCCC(C)O 11baf687250f60b29f8c1be528c63707 [0,3,0,0,0,0|0,0,0]=3 28339 B12R0.234 CCCCOCCNCCC(F)F 9776b133831ee891a5ae0612b61e0fbd [0,3,0,0,0,0|0,0,0]=3 28340 B12R0.234 CCCCOCCNCCN(C)C fd20ad0f479b24c4e2d669702510291a [0,3,0,0,0,0|0,0,0]=3 28341 B12R0.234 CCCCOCCNCCS(=O)C 647ec6677119474ed5f365fc1f329bb3 [0,3,0,0,0,0|0,0,0]=3 28342 B12R0.234 CCCCOCCNCCS(=O)O 8aca5a01e9de70f7056e6bf12f63490f [0,3,0,0,0,0|1,0,0]=4 28343 B12R0.234 CCCCOCCNCC[C@@H](C)O 08606b1d55914bff068edbbac9af3a9f [0,3,0,0,0,0|0,0,0]=3 28344 B12R0.234 CCCCOCCNCC[C@H](C)O 7963b48b3f9c0a75253370e650b5ba9f [0,3,0,0,0,0|0,0,0]=3 28345 B12R0.234 CCCCOCCNCOC(=O)C 92978932460913b47d645cd12ab84fc9 [0,3,0,0,0,0|0,0,1]=4 28346 B12R0.234 CCCCOCCNCOC(C)C 303fe6d617b4d8bbb361e9e7f331292a [0,3,0,0,0,0|0,0,0]=3 28347 B12R0.234 CCCCOCCOC/C=C(/C)\Cl 6bd1f940ba67d2f123c31fcf27acce26 [0,3,0,0,0,0|0,0,1]=4 28348 B12R0.234 CCCCOCCOC/C=C(/C)\I 143949fe89520898a6bdee788b0cd1d1 [0,3,0,0,0,0|0,0,1]=4 28349 B12R0.234 CCCCOCCOC/C=C(\C)/Cl 4988795c174c410e3021f598488a6445 [0,3,0,0,0,0|0,0,1]=4 28350 B12R0.234 CCCCOCCOCC=C(C)C f99f310c8ac9e587139934b239ecf84b [0,3,0,0,0,0|0,0,1]=4 28351 B12R0.234 CCCCOCCOCC=C(C)Cl c0902d653d042d6ebc88fcd7eff54123 [0,3,0,0,0,0|0,0,1]=4 28352 B12R0.234 CCCCOCCOCC=C(C)I 71e407ed6e57597072944b66bc628cd7 [0,3,0,0,0,0|0,0,1]=4 28353 B12R0.234 CCCCOCCOCCC(=O)C 2e987d042eb30a74e34aca0f530f532e [0,3,0,0,0,0|0,0,0]=3 28354 B12R0.234 CCCCOCCOCCC(=O)N 7995b8824d2b6bca5c2553b057b056ef [0,3,0,0,0,0|0,0,1]=4 28355 B12R0.234 CCCCOCCOCCC(=O)O 06651b3d6c7d50fdd63f3da56610e8bd [0,3,0,0,0,0|0,0,1]=4 28356 B12R0.234 CCCCOCCOCCC(C)C db92dbc990a9e4b084bc45527af05f99 [0,3,0,0,0,0|0,0,0]=3 28357 B12R0.234 CCCCOCCOCCC(F)F 923e368a529d1e8eeb603cfc258858a6 [0,3,0,0,0,0|0,0,0]=3 28358 B12R0.234 CCCCOCCOCCN(C)C 2cc70b8fd23b44d36fe9f859b8dfa62a [0,3,0,0,0,0|0,0,0]=3 28359 B12R0.234 CCCCOCCOCCS(=O)C c209aa889991648ab8e9e39ab89dd203 [0,3,0,0,0,0|0,0,0]=3 28360 B12R0.234 CCCCOCCOCC[N+](=O)[O-] 955caba200f0bf9591ccf8507c347040 [0,3,0,0,0,0|1,0,0]=4 28361 B12R0.234 CCCCOCCOCNC(=O)C 4282effe747f686b616a36425aa346e9 [0,3,0,0,0,0|0,0,1]=4 28362 B12R0.234 CCCCOCCOCOC(=O)C 84be75fbc1bf8a09a8a010dccf31dede [0,3,0,0,0,0|0,0,1]=4 28363 B12R0.234 CCCCOCCOCOC(C)C 276649195da8a4649bdee18260c0651c [0,3,0,0,0,0|0,0,0]=3 28364 B12R0.234 CCCCOCNCCCC(=O)N b58cdcaf44bd682fcee939ee1f8f0d25 [0,3,0,0,0,0|0,0,1]=4 28365 B12R0.234 CCCCOCNCCCC(=O)O d966949497b948766089b02bcfbfc57c [0,3,0,0,0,0|0,0,1]=4 28366 B12R0.234 CCCCOCNCCCC(C)C cf95d31f662d5d68b0ce4f6abd1d6643 [0,3,0,0,0,0|0,0,0]=3 28367 B12R0.234 CCCCOCNCCCN(C)C e30180fc23487f50a9c8517e21165f0d [0,3,0,0,0,0|0,0,0]=3 28368 B12R0.234 CCCCOCNCCCS(=O)C c9c5e3f9893b110fbc6fb67a2a291529 [0,3,0,0,0,0|0,0,0]=3 28369 B12R0.234 CCCCOCNCCNC(=O)C 7959e8f8f1b3564a0d77f7133256c5b4 [0,3,0,0,0,0|0,0,1]=4 28370 B12R0.234 CCCCOCNCCOC(C)C 1acd3261cc93d447f318705cbb9b62fc [0,3,0,0,0,0|0,0,0]=3 28371 B12R0.234 CCCCOCNCCOC(F)F fb716d89f3692428dda80f306aa12153 [0,3,0,0,0,0|1,0,0]=4 28372 B12R0.234 CCCCOCOCCCC(=O)C 745f68690e083e17f4b8ddba1322c5d1 [0,3,0,0,0,0|0,0,0]=3 28373 B12R0.234 CCCCOCOCCCC(=O)N 0111fa1f5ba2958dfe65dc949ab01ce1 [0,3,0,0,0,0|0,0,1]=4 28374 B12R0.234 CCCCOCOCCCC(C)C 648ba386ae21c7e11375f431b081e4b7 [0,3,0,0,0,0|0,0,0]=3 28375 B12R0.234 CCCCOCOCCCN(C)C 68d3c5d07ff6a0b7526a6b42da7882ff [0,3,0,0,0,0|0,0,0]=3 28376 B12R0.234 CCCCOCOCCC[N+](=O)[O-] c744840fabf4f81b831f8a6a253233f7 [0,3,0,0,0,0|1,0,0]=4 28377 B12R0.234 CCCCOCOCCNC(=O)C 51e7e45550d35ddc6c50f9d829231c93 [0,3,0,0,0,0|0,0,1]=4 28378 B12R0.234 CCCCOCOCCOC(=O)C a205e868d792d84a74c5c953454f94c5 [0,3,0,0,0,0|0,0,1]=4 28379 B12R0.234 CCCCOCOCCOC(C)C 22ea039fb64a530ae195f368231fd8d5 [0,3,0,0,0,0|0,0,0]=3 28380 B12R0.234 CCCCOCOCCOC(F)F 4e1b39af7c21705ea2e5d4d9beea3949 [0,3,0,0,0,0|1,0,0]=4 28381 B12R0.234 CCCCOCOCCSC(C)C af8ca0a68af6538064d235028c7db91a [0,3,0,0,0,0|0,0,0]=3 28382 B12R0.234 CCCCSCCOCCC(=O)C b2a245b991751e58aecf0db65c213523 [0,3,0,0,0,0|0,0,1]=4 28383 B12R0.234 CCCCSCCOCCC(C)C 99616089174f8043002ef3d7faad3fab [0,3,0,0,0,0|0,0,0]=3 28384 B12R0.234 CCCCSCCOCCN(C)C 88422d43ba78ef4ca6568095bc60b209 [0,3,0,0,0,0|0,1,0]=4 28385 B12R0.234 CCCCSCCOCCS(=O)C 56719f3c1fa3befffbfb1d78db6fd4e6 [0,3,0,0,0,0|0,1,0]=4 28386 B12R0.234 CCCCSCCOCOC(C)C 96b0ad136836005bfb3ae2e8c69e9ba7 [0,3,0,0,0,0|0,1,0]=4 28387 B12R0.234 CCCNCCCCCCC(C)C d7915ed383ba5e074a9ffc806e43e909 [0,3,0,0,0,0|1,0,0]=4 28388 B12R0.234 CCCNCCCCCCN(C)C 0ee71153936628fbfeb891505cc8f84a [0,3,0,0,0,0|1,0,0]=4 28389 B12R0.234 CCCNCCCCSCC(C)C 3deca72802a06f01569ccf448dc551f4 [0,3,0,0,0,0|1,0,0]=4 28390 B12R0.234 CCCNCCOCCOC(=O)C 830f51e8346d053371782aae752b5b2a [0,3,0,0,0,0|0,0,1]=4 28391 B12R0.234 CCCOCCCCCCC(C)C a6616e1411b449c54de8055468b842fa [0,3,0,0,0,0|1,0,0]=4 28392 B12R0.234 CCCOCCCCCCN(C)C b73263233d01cc44c65004580738c760 [0,3,0,0,0,0|1,0,0]=4 28393 B12R0.234 CCCOCCCNCCC(C)C 12840c1c30afceb4969a9f5438838cab [0,3,0,0,0,0|1,0,0]=4 28394 B12R0.234 CCCOCCCNCCC(C)O c665d7241ba38f4e58627a40b33811e9 [0,3,0,0,0,0|1,0,0]=4 28395 B12R0.234 CCCOCCCNCC[C@@H](C)O df617d825756d948c41cadd9d8639f83 [0,3,0,0,0,0|1,0,0]=4 28396 B12R0.234 CCCOCCCNCC[C@H](C)O 645189ec88e77e91f0e27ffac4140546 [0,3,0,0,0,0|1,0,0]=4 28397 B12R0.234 CCCOCCCOCCC(=O)C a00458fb677067a25f5df9ae1c30cc80 [0,3,0,0,0,0|0,0,1]=4 28398 B12R0.234 CCCOCCCOCCC(C)C ddfe9da27ce0da19d48a7ef1326ff019 [0,3,0,0,0,0|0,0,0]=3 28399 B12R0.234 CCCOCCCOCCC(F)F 716eca66290669c732df280045bf594d [0,3,0,0,0,0|1,0,0]=4 28400 B12R0.234 CCCOCCCOCCN(C)C fd49c44d4996ddefa71e544a6389f6aa [0,3,0,0,0,0|1,0,0]=4 28401 B12R0.234 CCCOCCCOCCS(=O)C 3be6fd864310ec2030176a85518d7c82 [0,3,0,0,0,0|1,0,0]=4 28402 B12R0.234 CCCOCCNCCCC(=O)C 57de64e9c60c6d15db0801cec9cf0c77 [0,3,0,0,0,0|1,0,0]=4 28403 B12R0.234 CCCOCCNCCCC(C)C f6384add3a913366f5a3f18f36260da1 [0,3,0,0,0,0|1,0,0]=4 28404 B12R0.234 CCCOCCNCCCC(C)O 2110847c5c732bc610c37e009c7ada5c [0,3,0,0,0,0|1,0,0]=4 28405 B12R0.234 CCCOCCNCCCN(C)C 32bf3d148d7546831346b24cb9b2d273 [0,3,0,0,0,0|1,0,0]=4 28406 B12R0.234 CCCOCCNCCCS(=O)C db5e5995306e5fb349a43ee61a53bede [0,3,0,0,0,0|1,0,0]=4 28407 B12R0.234 CCCOCCNCCOC(C)C 7cec70fec6f5af446c9bfc1aab0ddeac [0,3,0,0,0,0|1,0,0]=4 28408 B12R0.234 CCCOCCNCCSC(C)C f6804f7a04c45ff8e06cb1ed19a2f231 [0,3,0,0,0,0|1,0,0]=4 28409 B12R0.234 CCCOCCOC/C=C/C(C)C 6b3dadb1242a7b779a1122c406af8878 [0,3,0,0,0,0|0,0,1]=4 28410 B12R0.234 CCCOCCOCCC=C(C)C d8088503e7e5b1de8a62adf7b5eaf1c7 [0,3,0,0,0,0|0,0,1]=4 28411 B12R0.234 CCCOCCOCCCC(=O)C 2aceabe2371d0a983823296fde45f557 [0,3,0,0,0,0|0,0,0]=3 28412 B12R0.234 CCCOCCOCCCC(=O)N 1900a68c6a73b9fcb6c426a37c075d7a [0,3,0,0,0,0|0,0,1]=4 28413 B12R0.234 CCCOCCOCCCC(=O)O b32c954526a75429343840be31066d1b [0,3,0,0,0,0|0,0,1]=4 28414 B12R0.234 CCCOCCOCCCC(C)C b511d8958f1f3d4eee961d58fcf5d079 [0,3,0,0,0,0|0,0,0]=3 28415 B12R0.234 CCCOCCOCCCN(C)C af6923e665b505c8ef8cdb3bc5729b50 [0,3,0,0,0,0|0,0,0]=3 28416 B12R0.234 CCCOCCOCCC[N+](=O)[O-] 3d38e4630b75f32f62dd15ba04330d5a [0,3,0,0,0,0|1,0,0]=4 28417 B12R0.234 CCCOCCOCCNC(=O)C a0896467f4710c730aeaac1f337e0153 [0,3,0,0,0,0|0,0,1]=4 28418 B12R0.234 CCCOCCOCCOC(=O)C 84fcb75ade6b9aba6328e4e17202ac56 [0,3,0,0,0,0|0,0,1]=4 28419 B12R0.234 CCCOCCOCCOC(C)C 61dae7eb2ca382ebd4c34a630cd6b537 [0,3,0,0,0,0|0,0,0]=3 28420 B12R0.234 CCCOCCOCCOC(F)F 687a246db53ee21be37fb1be21b26977 [0,3,0,0,0,0|1,0,0]=4 28421 B12R0.234 CCCOCCOCCSC(=O)C cbe4b584423f86e4bf3faf9e2bd29478 [0,3,0,0,0,0|0,0,1]=4 28422 B12R0.234 CCCOCCOCCSC(C)C a2bebc604c333c58b472a9470cf11e51 [0,3,0,0,0,0|0,0,0]=3 28423 B12R0.234 CCCSCCCCNCC(C)C a21d656371066be418c9340be3d32d0e [0,3,0,0,0,0|1,0,0]=4 28424 B12R0.234 CCCSCCCCNCC(C)O bd13b69612da07515c70ea07cc9ed749 [0,3,0,0,0,0|1,0,0]=4 28425 B12R0.234 CCCSCCCCNC[C@@H](C)O b6b6583078503dbc17efe78aa1e922a2 [0,3,0,0,0,0|1,0,0]=4 28426 B12R0.234 CCCSCCCCNC[C@H](C)O 4eb9e2cf78056585403cf087edab879b [0,3,0,0,0,0|1,0,0]=4 28427 B12R0.234 CCCSCCOC/C=C/C(C)C e9af8aa3cd4ae158cfea5e9cceacc587 [0,3,0,0,0,0|0,0,1]=4 28428 B12R0.234 CCCSCCOCCC=C(C)C 2d7cd1ddf024fb3a75d627735eb7b76a [0,3,0,0,0,0|0,0,1]=4 28429 B12R0.234 CCCSCCOCCCC(=O)C d85fe65ee007d3a4d2d28243a01bfe29 [0,3,0,0,0,0|0,0,0]=3 28430 B12R0.234 CCCSCCOCCCC(=O)N cca01179b976219496572863c5bcc8f5 [0,3,0,0,0,0|0,0,1]=4 28431 B12R0.234 CCCSCCOCCCC(=O)O 0b7965f5e8a8094662e4e26f784e2bf0 [0,3,0,0,0,0|0,0,1]=4 28432 B12R0.234 CCCSCCOCCCC(C)C 68ce6fd57c00ef1b38aeef17bd3e4377 [0,3,0,0,0,0|0,0,0]=3 28433 B12R0.234 CCCSCCOCCCN(C)C 12c5b12bd7930e9663b8008b866ab724 [0,3,0,0,0,0|0,0,0]=3 28434 B12R0.234 CCCSCCOCCC[N+](=O)[O-] c7e084e3b3e7f841e064b45801b1b8b2 [0,3,0,0,0,0|1,0,0]=4 28435 B12R0.234 CCCSCCOCCNC(=O)C e636fe61dc3c12f0ebd78a41eea88dfa [0,3,0,0,0,0|0,0,1]=4 28436 B12R0.234 CCCSCCOCCOC(=O)C 51e40f43a52df816918bcca3a48fe848 [0,3,0,0,0,0|0,0,1]=4 28437 B12R0.234 CCCSCCOCCOC(C)C 6af8d7ff0a5f47539497834c92aac177 [0,3,0,0,0,0|0,0,0]=3 28438 B12R0.234 CCCSCCOCCOC(F)F 5d5e44de88951f63d3811ee2392c2af4 [0,3,0,0,0,0|1,0,0]=4 28439 B12R0.234 CCCSCCOCCSC(=O)C d00d4fb3aeca0913d8e85bb81ef4e252 [0,3,0,0,0,0|0,0,1]=4 28440 B12R0.234 CCCSCCOCCSC(C)C 447daedcd7d15fe5a72ac9baf8b73ead [0,3,0,0,0,0|0,0,0]=3 28441 B12R0.234 CCNCCCCCCCN(C)C d334c529678847991a1100d581880626 [0,3,0,0,0,0|1,0,0]=4 28442 B12R0.234 CCNCCOCCCCC(=O)O a68d1a4ab9fdb85eaaee1e8610c4f41b [0,3,0,0,0,0|0,0,1]=4 28443 B12R0.234 CCOCCCCCCCC(=O)C 84451fa23ed3e3143a5a1d446125857e [0,3,0,0,0,0|1,0,0]=4 28444 B12R0.234 CCOCCCCCCCC(C)C 626ed2c7256a41d21f10aff0ef8f5df5 [0,3,0,0,0,0|1,0,0]=4 28445 B12R0.234 CCOCCCNCCCC(=O)C 4c60505495c8b0fd1baf5e9404731703 [0,3,0,0,0,0|1,0,0]=4 28446 B12R0.234 CCOCCCNCCCC(C)C 3055328889148574e8d6147f250ce8d7 [0,3,0,0,0,0|1,0,0]=4 28447 B12R0.234 CCOCCCNCCCC(C)O 1a1a61e4a4aa4028c4654ddb37d5dd27 [0,3,0,0,0,0|1,0,0]=4 28448 B12R0.234 CCOCCCNCCCN(C)C 8c09b0ba0f6e69e5ed7a7ca6b76c10f8 [0,3,0,0,0,0|1,0,0]=4 28449 B12R0.234 CCOCCCNCCCS(=O)C d6ff0429175a0ee53c083fd16c16984e [0,3,0,0,0,0|1,0,0]=4 28450 B12R0.234 CCOCCCNCCOC(C)C f67be18affcbc5aedeb67d5518a5bfcb [0,3,0,0,0,0|1,0,0]=4 28451 B12R0.234 CCOCCCNCCSC(C)C 16e0f3d140673b050e87bc34d2c68640 [0,3,0,0,0,0|1,0,0]=4 28452 B12R0.234 CCOCCCOC/C=C/C(C)C 9aa5b836fd61fd428983e65117abfdd8 [0,3,0,0,0,0|0,0,1]=4 28453 B12R0.234 CCOCCCOCCC=C(C)C 35a134dc247f9d21c6b1bee4b42a9a7b [0,3,0,0,0,0|0,0,1]=4 28454 B12R0.234 CCOCCCOCCCC(=O)C 97e5b8446d0631529afc9074cb4aa7c6 [0,3,0,0,0,0|0,0,0]=3 28455 B12R0.234 CCOCCCOCCCC(=O)N 38e5282fcadca5045575b5644fc741ab [0,3,0,0,0,0|0,0,1]=4 28456 B12R0.234 CCOCCCOCCCC(C)C ccb4b7b291bfe9699f47d882f2839bd6 [0,3,0,0,0,0|0,0,0]=3 28457 B12R0.234 CCOCCCOCCCN(C)C 283669d1f23f0588a24cf3a757333d65 [0,3,0,0,0,0|0,0,0]=3 28458 B12R0.234 CCOCCCOCCC[N+](=O)[O-] fc6023a215e43040603f527807692e1a [0,3,0,0,0,0|1,0,0]=4 28459 B12R0.234 CCOCCCOCCNC(=O)C 8fd065d78500ce52a28c19a1f4f57bee [0,3,0,0,0,0|0,0,1]=4 28460 B12R0.234 CCOCCCOCCOC(=O)C c3ff47f7c85cdf45764cb1dc6ce72925 [0,3,0,0,0,0|0,0,1]=4 28461 B12R0.234 CCOCCCOCCOC(C)C 1c1fdf4e6edce8de9263d4e6fbdba8aa [0,3,0,0,0,0|0,0,0]=3 28462 B12R0.234 CCOCCCOCCOC(F)F 851610438543034e9d5b1b52f9a19e55 [0,3,0,0,0,0|1,0,0]=4 28463 B12R0.234 CCOCCCOCCSC(=O)C 9b347472723c33cff6bd194d1f960be4 [0,3,0,0,0,0|0,0,1]=4 28464 B12R0.234 CCOCCCOCCSC(C)C fd1f6288fac47f143b100ac7b0312aa3 [0,3,0,0,0,0|0,0,0]=3 28465 B12R0.234 CCOCCNCCCCC(=O)C 9c2d7ce2a322d26c6550a45085cfbead [0,3,0,0,0,0|1,0,0]=4 28466 B12R0.234 CCOCCNCCCCC(C)C 55ed0e1b0111cc8d9e449116a8572088 [0,3,0,0,0,0|1,0,0]=4 28467 B12R0.234 CCOCCNCCCCC(C)O fc7186f724a4526974058140742b6e7e [0,3,0,0,0,0|1,0,0]=4 28468 B12R0.234 CCOCCNCCCCC(F)F 3257a88240aa64dc585cfb98ff89636b [0,3,0,0,0,0|1,0,0]=4 28469 B12R0.234 CCOCCNCCCCN(C)C 7958dbd5cb69ff8867ae0f7a02b219ae [0,3,0,0,0,0|1,0,0]=4 28470 B12R0.234 CCOCCNCCCC[C@@H](C)O 778954741c4d92f8a8c72336db5719b6 [0,3,0,0,0,0|1,0,0]=4 28471 B12R0.234 CCOCCNCCCOC(C)C 24020956cdeefc7c4c3e50e96595dcb0 [0,3,0,0,0,0|1,0,0]=4 28472 B12R0.234 CCOCCNCCCSC(C)C d1f25fc9b0d2d37383cfe03f6d13df17 [0,3,0,0,0,0|1,0,0]=4 28473 B12R0.234 CCOCCNCCOCC(C)C 43069dce1a77e5cd9ac0acbae8464f7d [0,3,0,0,0,0|1,0,0]=4 28474 B12R0.234 CCOCCOCCCCC(=O)C 814c6073a47153c07d099fb3579f1b9e [0,3,0,0,0,0|0,0,0]=3 28475 B12R0.234 CCOCCOCCCCC(=O)N ad1f25e91dec633756357dc3bc838243 [0,3,0,0,0,0|0,0,1]=4 28476 B12R0.234 CCOCCOCCCCC(=O)O 51a3a3dee25f63833a78d48ec8935c36 [0,3,0,0,0,0|0,0,1]=4 28477 B12R0.234 CCOCCOCCCCC(C)C 00e87799a0e225a3a7f3d3a5fbe96512 [0,3,0,0,0,0|0,0,0]=3 28478 B12R0.234 CCOCCOCCCCN(C)C 485cb2bd1f97d412c1a53a83a69ed30f [0,3,0,0,0,0|0,0,0]=3 28479 B12R0.234 CCOCCOCCCC[N+](=O)[O-] 5b183dac36d6dff52d6e25314af4fc54 [0,3,0,0,0,0|1,0,0]=4 28480 B12R0.234 CCOCCOCCCNC(=O)C 6181fcc56f0af36732ebd9e1b1b1a317 [0,3,0,0,0,0|0,0,1]=4 28481 B12R0.234 CCOCCOCCCOC(=O)C de7adbda2adf423cf997b01ae85f1d16 [0,3,0,0,0,0|0,0,1]=4 28482 B12R0.234 CCOCCOCCCOC(=S)C d9c3d78cb493e57703bfefb590e3771c [0,3,0,0,0,0|0,0,1]=4 28483 B12R0.234 CCOCCOCCCOC(C)C 451064c461f619fe08e19d81dab56a36 [0,3,0,0,0,0|0,0,0]=3 28484 B12R0.234 CCOCCOCCCSC(=O)C 5eede1f9ac1815334dc00acd3636a892 [0,3,0,0,0,0|0,0,1]=4 28485 B12R0.234 CCOCCOCCCSC(C)C f168066d5e88362e2f546654c79e7e26 [0,3,0,0,0,0|0,0,0]=3 28486 B12R0.234 CCOCCOCCNCC(=O)C bc38f1ef5dc9cd1b1f765ca7a1d667bf [0,3,0,0,0,0|0,0,1]=4 28487 B12R0.234 CCOCCOCCNCC(C)C 6f31db651c60e4a7de66b10925ef2457 [0,3,0,0,0,0|0,0,0]=3 28488 B12R0.234 CCOCCOCCNCC(C)O c72c9c5b372601dc83c7d5af3aa77297 [0,3,0,0,0,0|0,0,0]=3 28489 B12R0.234 CCOCCOCCNCC(F)F 57e7ac79686f6d2e2b7405ea84d84a8d [0,3,0,0,0,0|1,0,0]=4 28490 B12R0.234 CCOCCOCCNCN(C)C f3a52824d431833e6108cbbe21c0ec48 [0,3,0,0,0,0|1,0,0]=4 28491 B12R0.234 CCOCCOCCNC[C@@H](C)O 3ee0e555e4b06081b1853a7a32613c19 [0,3,0,0,0,0|0,0,0]=3 28492 B12R0.234 CCOCCOCCNC[C@H](C)O 19d07208d010157c7a4c7ae33e891c98 [0,3,0,0,0,0|0,0,0]=3 28493 B12R0.234 CCOCCOCCOCC(=O)C 4d630a11a248b98fca3e4a68413384dd [0,3,0,0,0,0|0,0,1]=4 28494 B12R0.234 CCOCCOCCOCC(C)C 7c996f6d8756de02bf624936c3a5ac20 [0,3,0,0,0,0|0,0,0]=3 28495 B12R0.234 CCOCCOCCOCC(C)F abbd7658d86166bad05ec4fc7cc56f47 [0,3,0,0,0,0|0,0,0]=3 28496 B12R0.234 CCOCCOCCOCC(C)S 2c3532055aceb8dd88947895bfa48ed7 [0,3,0,0,0,0|0,0,0]=3 28497 B12R0.234 CCOCCOCCOCC(F)F e49afa0b582e7e18f0144fea47b268ba [0,3,0,0,0,0|1,0,0]=4 28498 B12R0.234 CCOCCOCCOCN(C)C c08eaeb5ae64825b531dc23f0fa944d8 [0,3,0,0,0,0|1,0,0]=4 28499 B12R0.234 CCOCCOCCOC[C@@H](C)F cfe2d32bce2e475439eb2375b36941f4 [0,3,0,0,0,0|0,0,0]=3 28500 B12R0.234 CCOCCOCCOC[C@H](C)F f73e4d2e920e2d2ea55d090f92a4aeb8 [0,3,0,0,0,0|0,0,0]=3 28501 B12R0.234 CCOCCOCCSCC(C)C 3b66c9adeca5cfa4546d571ac904634b [0,3,0,0,0,0|0,0,0]=3 28502 B12R0.234 CCOCNCCCCCC(C)C 7ce37e8c0c2cd4051c93436eb2bf98bd [0,3,0,0,0,0|1,0,0]=4 28503 B12R0.234 CCOCNCCOCCN(C)C e437f1aaa51b1639e9c2c8fac8abe6ea [0,3,0,0,0,0|1,0,0]=4 28504 B12R0.234 CCOCOCCCCCC(=O)N 1953240cc6336bbe49e8eb81a535a807 [0,3,0,0,0,0|1,0,0]=4 28505 B12R0.234 CCOCOCCCCCC(C)C a33f977766d418f85b50cb8d2d8123e2 [0,3,0,0,0,0|1,0,0]=4 28506 B12R0.234 CCOCOCCCCCN(C)C 8c3254cd666654a4e602eb3704776c8f [0,3,0,0,0,0|1,0,0]=4 28507 B12R0.234 CCOCOCCCCOC(=O)C 282689ab9aa78171c33207d57baf2846 [0,3,0,0,0,0|1,0,0]=4 28508 B12R0.234 CCOCOCCCOCC(C)C e4e6b5e9b363d6835322db5aa245e880 [0,3,0,0,0,0|1,0,0]=4 28509 B12R0.234 CCOCOCCCSCC(C)C 2a8f25008e3a4965b0ea356c65650cff [0,3,0,0,0,0|1,0,0]=4 28510 B12R0.234 CCOCOCCOCCN(C)C dff67a1ae9b7d18f2211b4b18116d2b0 [0,3,0,0,0,0|1,0,0]=4 28511 B12R0.234 CCSCCCCNCCC(C)C 7fcbc6c123e326e1116b82b83c838b7d [0,3,0,0,0,0|1,0,0]=4 28512 B12R0.234 CCSCCCCNCCC(C)O 151b06319c8eed79ae4322500baa3cd9 [0,3,0,0,0,0|1,0,0]=4 28513 B12R0.234 CCSCCCNCCCC(C)C e935b3a8947ed4cdd8487e743860e112 [0,3,0,0,0,0|1,0,0]=4 28514 B12R0.234 CCSCCCNCCCN(C)C 3a328aa1e8f6a67ede5b92b92ee9316e [0,3,0,0,0,0|1,0,0]=4 28515 B12R0.234 CCSCCCNCCOC(C)C 0509ae77f67fabba5ff9cefccb6f81a1 [0,3,0,0,0,0|1,0,0]=4 28516 B12R0.234 CCSCCCOC/C=C/C(C)C 8f9a0a6d7c0b286b61466af9f9345661 [0,3,0,0,0,0|0,0,1]=4 28517 B12R0.234 CCSCCCOCCC=C(C)C ed17b23567253c6283ac6fa0d3c7fc40 [0,3,0,0,0,0|0,0,1]=4 28518 B12R0.234 CCSCCCOCCCC(=O)C 523dec3073a6dc56bb0753c021a3fb61 [0,3,0,0,0,0|0,0,0]=3 28519 B12R0.234 CCSCCCOCCCC(=O)N 44c85f5c58ace692ef3a063bab578f73 [0,3,0,0,0,0|0,0,1]=4 28520 B12R0.234 CCSCCCOCCCC(C)C e469def07fba3e8db93e1f893c7dd1c1 [0,3,0,0,0,0|0,0,0]=3 28521 B12R0.234 CCSCCCOCCCN(C)C 600d3211394bd2569eaed21980af0098 [0,3,0,0,0,0|0,0,0]=3 28522 B12R0.234 CCSCCCOCCC[N+](=O)[O-] cc5cd4d2cc7f90c29393953ec24d2636 [0,3,0,0,0,0|1,0,0]=4 28523 B12R0.234 CCSCCCOCCNC(=O)C e99c916bbb45d7b1edf535114871d3e5 [0,3,0,0,0,0|0,0,1]=4 28524 B12R0.234 CCSCCCOCCOC(=O)C a27084f23feda0063a8690842c345bf3 [0,3,0,0,0,0|0,0,1]=4 28525 B12R0.234 CCSCCCOCCOC(C)C 6eee6e3ca1dbd9852a78af0ac35fedd8 [0,3,0,0,0,0|0,0,0]=3 28526 B12R0.234 CCSCCCOCCOC(F)F b165585df503cbf186e57ca3a1fd7b9b [0,3,0,0,0,0|1,0,0]=4 28527 B12R0.234 CCSCCCOCCSC(=O)C 28c866e446172c5770943f9c8e9f5147 [0,3,0,0,0,0|0,0,1]=4 28528 B12R0.234 CCSCCCOCCSC(C)C 612b851e10e0347a70f3f970de904551 [0,3,0,0,0,0|0,0,0]=3 28529 B12R0.234 CCSCCNCCCCC(=O)C 4fd65665d0a24b40f25630b428894bb0 [0,3,0,0,0,0|1,0,0]=4 28530 B12R0.234 CCSCCNCCCCC(C)C 03da722665c1fbae4ee3d8ba04e0c3b3 [0,3,0,0,0,0|1,0,0]=4 28531 B12R0.234 CCSCCNCCCCC(C)O 038e96a1992be7f7b21328c3f7c62bee [0,3,0,0,0,0|1,0,0]=4 28532 B12R0.234 CCSCCNCCCCC(F)F 4c8b3fe248c3cd7bdc077fb4a250dce1 [0,3,0,0,0,0|1,0,0]=4 28533 B12R0.234 CCSCCNCCCCN(C)C 5559257f6db5cde0627a9cd37f7332f4 [0,3,0,0,0,0|1,0,0]=4 28534 B12R0.234 CCSCCNCCCC[C@@H](C)O cb6b5caae5f5c5e98ba0b852681e4aaf [0,3,0,0,0,0|1,0,0]=4 28535 B12R0.234 CCSCCNCCCOC(C)C ec346a5ea086de8bdf81e0bfc7cf4013 [0,3,0,0,0,0|1,0,0]=4 28536 B12R0.234 CCSCCNCCCSC(C)C bb290dc9276d237ec5a3adf91765385c [0,3,0,0,0,0|1,0,0]=4 28537 B12R0.234 CCSCCNCCOCC(C)C 3ef6bfabe00060fae455b05a93d7075c [0,3,0,0,0,0|1,0,0]=4 28538 B12R0.234 CCSCCOCCCCC(=O)C 1230254a8fd499acf755f6d9996e6254 [0,3,0,0,0,0|0,0,0]=3 28539 B12R0.234 CCSCCOCCCCC(=O)N 0985b4e96f0fb10103fb90593073c8c8 [0,3,0,0,0,0|0,0,1]=4 28540 B12R0.234 CCSCCOCCCCC(=O)O 3cf801f8efc32fbba70f9dba41718e24 [0,3,0,0,0,0|0,0,1]=4 28541 B12R0.234 CCSCCOCCCCC(C)C ba3f169c1f91e24cbf5f3df2f159e479 [0,3,0,0,0,0|0,0,0]=3 28542 B12R0.234 CCSCCOCCCCN(C)C aef9fbb0b5ff20b26374eee7e8ff06a2 [0,3,0,0,0,0|0,0,0]=3 28543 B12R0.234 CCSCCOCCCC[N+](=O)[O-] a22c446d159d38b3a405274339b5854d [0,3,0,0,0,0|1,0,0]=4 28544 B12R0.234 CCSCCOCCCNC(=O)C 74ddf74d30d9b7a2c566bff59caf970b [0,3,0,0,0,0|0,0,1]=4 28545 B12R0.234 CCSCCOCCCOC(=O)C 903707072b7239c666a2c871c6ca2e32 [0,3,0,0,0,0|0,0,1]=4 28546 B12R0.234 CCSCCOCCCOC(=S)C 1857dca6ba5707c5c7045cd78d027bf7 [0,3,0,0,0,0|0,0,1]=4 28547 B12R0.234 CCSCCOCCCOC(C)C 16653fa1a6f7bb9ece4ed8f9bb54bf2a [0,3,0,0,0,0|0,0,0]=3 28548 B12R0.234 CCSCCOCCCSC(=O)C 4ec75836ac9a14300569276b9b6f91a3 [0,3,0,0,0,0|0,0,1]=4 28549 B12R0.234 CCSCCOCCCSC(C)C d7cdffbdc7b7faabab92da5d486e7b58 [0,3,0,0,0,0|0,0,0]=3 28550 B12R0.234 CCSCCOCCOCC(C)C e405f61823c2fdd705bb687c0c69381f [0,3,0,0,0,0|0,0,0]=3 28551 B12R0.234 CCSCCOCCOCC(F)F d3b1dc21d00ca3f980dd25b22b07eab1 [0,3,0,0,0,0|1,0,0]=4 28552 B12R0.234 CCSCCOCCSCC(C)C df525c4572fa65f2cd840c363f1b7abe [0,3,0,0,0,0|0,0,0]=3 28553 B12R0.234 CN(C)CCCCCOCCCF a3bf8e37cc2ec1da7959197430a0ccc6 [0,3,0,0,0,0|1,0,0]=4 28554 B12R0.234 CN(C)CCCCCOCCCS 2a23905dc002eb07818d40551ec7aab2 [0,3,0,0,0,0|1,0,0]=4 28555 B12R0.234 CN(C)CCCCNCCCCCl 81e20a60235013d79b9189fa931a737f [0,3,0,0,0,0|1,0,0]=4 28556 B12R0.234 CN(C)CCCCNCCCCF 554fb4f3de5421f48ab462503fcc1672 [0,3,0,0,0,0|1,0,0]=4 28557 B12R0.234 CN(C)CCCCNCCCCO 611d1b70bb68b1c0e22998eec3adbc43 [0,3,0,0,0,0|1,0,0]=4 28558 B12R0.234 CN(C)CCCCNCCCCS 159611eae6ccc7d0b7693266674836de [0,3,0,0,0,0|1,0,0]=4 28559 B12R0.234 CN(C)CCCCOCCCC#N fc139a4f1279a3d4194129e9a1343b72 [0,3,0,0,0,0|0,0,1]=4 28560 B12R0.234 CN(C)CCCCOCCCC=O 9880c586891fcf30b6286f1a5a1ede94 [0,3,0,0,0,0|0,0,1]=4 28561 B12R0.234 CN(C)CCCCOCCCCF 5f4cbcc4ea46249c75b271913a111605 [0,3,0,0,0,0|0,0,0]=3 28562 B12R0.234 CN(C)CCCCOCCCCS b575e66b83233f4f054672f8cebf9379 [0,3,0,0,0,0|0,0,0]=3 28563 B12R0.234 CN(C)CCCNCCCCCCl e3df52a2d38889b0d9eaf8efb14c018e [0,3,0,0,0,0|1,0,0]=4 28564 B12R0.234 CN(C)CCCNCCCCCF b4609114ebc38353e6b04924a4230f6d [0,3,0,0,0,0|1,0,0]=4 28565 B12R0.234 CN(C)CCCNCCCCCO f349833d0d9aa26b8d776f27393fd1b5 [0,3,0,0,0,0|1,0,0]=4 28566 B12R0.234 CN(C)CCCOCCCCC#N 9dac667cd2f303adda71fb7f94080969 [0,3,0,0,0,0|0,0,1]=4 28567 B12R0.234 CN(C)CCCOCCCCC=O 1d261cbcf42f90532f1395f51f57ceba [0,3,0,0,0,0|0,0,1]=4 28568 B12R0.234 CN(C)CCCOCCCCCF 940ab2b35f647f8137c197094b4a2948 [0,3,0,0,0,0|0,0,0]=3 28569 B12R0.234 CN(C)CCCOCCOCCF 7f1c3d12fe21351a6653f37772693976 [0,3,0,0,0,0|1,0,0]=4 28570 B12R0.234 CN(C)CCCOCCOCCS d389f5b28e65f14d2b94036ed8fa3ec0 [0,3,0,0,0,0|1,0,0]=4 28571 B12R0.234 CN(C)CCNCCOCCCO 038e68943d936bff4d6fb947a6f03b52 [0,3,0,0,0,0|1,0,0]=4 28572 B12R0.234 CN(C)CCOCCCCCC#N 9054348f3a9777401ccbabc3739d9eb2 [0,3,0,0,0,0|1,0,0]=4 28573 B12R0.234 CN(C)CCOCCCCCC=O 172a4772c2e50700b5ebf14d7309a649 [0,3,0,0,0,0|1,0,0]=4 28574 B12R0.234 CN(C)CCOCCCCCCF cd881f0704cbe2ac3089217a04e0ea4d [0,3,0,0,0,0|1,0,0]=4 28575 B12R0.234 CN(C)CCOCCCCCCS f53c2e5e3be15aa3f98d9d11d4b3ccb8 [0,3,0,0,0,0|1,0,0]=4 28576 B12R0.234 CN(C)CCOCCNCCCF d653d5ad5dbf44f0893eb8e56b983c2c [0,3,0,0,0,0|1,0,0]=4 28577 B12R0.234 CN(C)CCOCCNCCCO 9c9be0ce95907beb038295818f44a74c [0,3,0,0,0,0|1,0,0]=4 28578 B12R0.234 CN(C)CCOCCNCCCS 3c3b3bd681cc9edf7a4201a53e7853a9 [0,3,0,0,0,0|1,0,0]=4 28579 B12R0.234 CN(C)CCOCCOCCCF 9d69ed04ce2615028d1d9421c8cf0788 [0,3,0,0,0,0|1,0,0]=4 28580 B12R0.234 CN(C)CCOCCOCCCS e3a1cafb2fe36ce905471020ac57c444 [0,3,0,0,0,0|1,0,0]=4 28581 B12R0.234 CN(C)CNCCCOCCCO 309d972ecfb589ea1e941b24aca75674 [0,3,0,0,0,0|1,0,0]=4 28582 B12R0.234 COCC#CCOCCCC(C)C 559631f496c12b3878851d56bcb87fbe [0,3,0,0,0,0|0,0,1]=4 28583 B12R0.234 COCCCCCCNCC(C)C 64da25ac9f168903432287504a051ea3 [0,3,0,0,0,0|1,0,0]=4 28584 B12R0.234 COCCCCCCNCC(C)O 0c1a80b9848aa56fc3325b6661784652 [0,3,0,0,0,0|1,0,0]=4 28585 B12R0.234 COCCCCCCNC[C@@H](C)O 6ba8f4aab3a0a78787980b2ea9adf34e [0,3,0,0,0,0|1,0,0]=4 28586 B12R0.234 COCCCCCCNC[C@H](C)O b2a5bf398db2108a245b0be16a2afe1c [0,3,0,0,0,0|1,0,0]=4 28587 B12R0.234 COCCCCCCOCC(C)C 4c14385c9f1bb40f7df13106549abaf1 [0,3,0,0,0,0|1,0,0]=4 28588 B12R0.234 COCCCCCCOCC(C)F e53d780cd8100c8bdd2a91cf8ddeec29 [0,3,0,0,0,0|1,0,0]=4 28589 B12R0.234 COCCCCCCOCC(C)S 50ee3308dffea4da33af852fbc573028 [0,3,0,0,0,0|1,0,0]=4 28590 B12R0.234 COCCCCCCOC[C@@H](C)F cddb79e1d70656a31fd5889bea2ac38f [0,3,0,0,0,0|1,0,0]=4 28591 B12R0.234 COCCCCCCOC[C@H](C)F aa579eedda0d6eb4397ce51d7bff6cf1 [0,3,0,0,0,0|1,0,0]=4 28592 B12R0.234 COCCCCCNCCC(C)C c3a2901816a302e3decce749dd14b576 [0,3,0,0,0,0|1,0,0]=4 28593 B12R0.234 COCCCCCNCCC(C)O 26fefd78dc832e19e0142a808011a235 [0,3,0,0,0,0|1,0,0]=4 28594 B12R0.234 COCCCCCNCC[C@@H](C)O a2e3c33ea81775027ac1783193e12dfe [0,3,0,0,0,0|1,0,0]=4 28595 B12R0.234 COCCCCCNCC[C@H](C)O 9f381f1c3f2ef207569f2d9fc26427a2 [0,3,0,0,0,0|1,0,0]=4 28596 B12R0.234 COCCCCCOCCC(=O)C 322fa71d59b27a2851173c7aeec6f538 [0,3,0,0,0,0|0,0,1]=4 28597 B12R0.234 COCCCCCOCCC(C)C ea93c9f60dccf978d5547f51f6443280 [0,3,0,0,0,0|0,0,0]=3 28598 B12R0.234 COCCCCCOCCC(F)F ffa7198c2cb1a2b6fca2c58a0df218a8 [0,3,0,0,0,0|1,0,0]=4 28599 B12R0.234 COCCCCCOCCN(C)C 3d20d7e3756287dcbe2ce9cb45f6e4b8 [0,3,0,0,0,0|1,0,0]=4 28600 B12R0.234 COCCCCCOCCS(=O)C bea56c47307f45deaa1c64ec89834f5e [0,3,0,0,0,0|1,0,0]=4 28601 B12R0.234 COCCCCNCCCC(=O)C 05aea91648bfee314e1171d6357f8acb [0,3,0,0,0,0|1,0,0]=4 28602 B12R0.234 COCCCCNCCCC(C)C 582cacdc71dfd9158f566a75c1364e41 [0,3,0,0,0,0|1,0,0]=4 28603 B12R0.234 COCCCCNCCCC(C)O 56cb5a5d8dfeebb49d50d69b20a7b806 [0,3,0,0,0,0|1,0,0]=4 28604 B12R0.234 COCCCCNCCCN(C)C af27c412b9dc253a59fcbe50d09b80bd [0,3,0,0,0,0|1,0,0]=4 28605 B12R0.234 COCCCCNCCCS(=O)C ec0f38dd74b614dc3cbefc58b03266d4 [0,3,0,0,0,0|1,0,0]=4 28606 B12R0.234 COCCCCNCCOC(C)C 40add21f1e33abcabbfb56dbfb2edf1d [0,3,0,0,0,0|1,0,0]=4 28607 B12R0.234 COCCCCNCCSC(C)C ec94b99aeb23407a352f7a2a9a70f4da [0,3,0,0,0,0|1,0,0]=4 28608 B12R0.234 COCCCCOC/C=C/C(C)C 9bff51eda06d73012abb7fb66df6a9df [0,3,0,0,0,0|0,0,1]=4 28609 B12R0.234 COCCCCOCCC=C(C)C 07db45807705b534de774c2e9d083601 [0,3,0,0,0,0|0,0,1]=4 28610 B12R0.234 COCCCCOCCCC(=O)C 3cc17af82bef3c03d92cabe2c75cddbc [0,3,0,0,0,0|0,0,0]=3 28611 B12R0.234 COCCCCOCCCC(=O)N 51dc500112345785b5738d450c245972 [0,3,0,0,0,0|0,0,1]=4 28612 B12R0.234 COCCCCOCCCC(=O)O c5710b39c8f427a5001f16543170e263 [0,3,0,0,0,0|0,0,1]=4 28613 B12R0.234 COCCCCOCCCC(C)C 1df46b9e9f786d2fe7e2dd72d46fe7f9 [0,3,0,0,0,0|0,0,0]=3 28614 B12R0.234 COCCCCOCCCN(C)C d2a2564c4c4efc723d3dde441282f567 [0,3,0,0,0,0|0,0,0]=3 28615 B12R0.234 COCCCCOCCC[N+](=O)[O-] 6ec4692618f0ea31ab34a28f8089ad6e [0,3,0,0,0,0|1,0,0]=4 28616 B12R0.234 COCCCCOCCNC(=O)C 2f8560437995480796207ee0d61a645a [0,3,0,0,0,0|0,0,1]=4 28617 B12R0.234 COCCCCOCCOC(=O)C 8932bdc640c3eadf83c5c0daf9394181 [0,3,0,0,0,0|0,0,1]=4 28618 B12R0.234 COCCCCOCCOC(C)C 691603afa31d210a5b445cab8f875d5a [0,3,0,0,0,0|0,0,0]=3 28619 B12R0.234 COCCCCOCCOC(F)F 83d54a6fa2de1b13489b03efd202811d [0,3,0,0,0,0|1,0,0]=4 28620 B12R0.234 COCCCCOCCSC(=O)C c9f3042031e505b58915212ea1c1db14 [0,3,0,0,0,0|0,0,1]=4 28621 B12R0.234 COCCCCOCCSC(C)C 17a80b145223331503fa76e242ead0cd [0,3,0,0,0,0|0,0,0]=3 28622 B12R0.234 COCCCNCCCCC(=O)C 9ece99806b2ec0f2b81b07a4d000cbdf [0,3,0,0,0,0|1,0,0]=4 28623 B12R0.234 COCCCNCCCCC(C)C 15fee2bbceb2e69b29fda83ff4f2489e [0,3,0,0,0,0|1,0,0]=4 28624 B12R0.234 COCCCNCCCCC(C)O 28af90339005213373aa640c6928e846 [0,3,0,0,0,0|1,0,0]=4 28625 B12R0.234 COCCCNCCCCC(F)F 71e0bab562033d64ed723e1786ea4672 [0,3,0,0,0,0|1,0,0]=4 28626 B12R0.234 COCCCNCCCCN(C)C 6edaf242cef361f1771b51a74b81424c [0,3,0,0,0,0|1,0,0]=4 28627 B12R0.234 COCCCNCCCC[C@@H](C)O 6e69f51b4cb8117e4c3b693f1cf67c80 [0,3,0,0,0,0|1,0,0]=4 28628 B12R0.234 COCCCNCCCOC(C)C 09d1a08ad849da1fefe1acd195b0354b [0,3,0,0,0,0|1,0,0]=4 28629 B12R0.234 COCCCNCCCSC(C)C 403c33ad5c3b5000f29afa270f6f6258 [0,3,0,0,0,0|1,0,0]=4 28630 B12R0.234 COCCCNCCOCC(C)C 075e0bf7e1c248b52779d191ef4051bc [0,3,0,0,0,0|1,0,0]=4 28631 B12R0.234 COCCCOCCCCC(=O)C 7ee5a36ff296efe4cbbd7037612369d4 [0,3,0,0,0,0|0,0,0]=3 28632 B12R0.234 COCCCOCCCCC(=O)N 16a4f07b4299e0399bc18b21f422a245 [0,3,0,0,0,0|0,0,1]=4 28633 B12R0.234 COCCCOCCCCC(=O)O 95cee556a34fac1cb2656b23abcf66a3 [0,3,0,0,0,0|0,0,1]=4 28634 B12R0.234 COCCCOCCCCC(C)C 25f199a63197dd462e5c7e88aee0853c [0,3,0,0,0,0|0,0,0]=3 28635 B12R0.234 COCCCOCCCCN(C)C e139ee6eb6187a46ee96cf8939189cc6 [0,3,0,0,0,0|0,0,0]=3 28636 B12R0.234 COCCCOCCCC[N+](=O)[O-] cb47a64861653077aafbd78c3ac660eb [0,3,0,0,0,0|1,0,0]=4 28637 B12R0.234 COCCCOCCCNC(=O)C a2445f7e5e6f1d97af113a8c53ce4cc2 [0,3,0,0,0,0|0,0,1]=4 28638 B12R0.234 COCCCOCCCOC(=O)C baf491909dff07b59587a325bb8da9ed [0,3,0,0,0,0|0,0,1]=4 28639 B12R0.234 COCCCOCCCOC(=S)C 7a03ec20b2b694aa43f45feb168c40fd [0,3,0,0,0,0|0,0,1]=4 28640 B12R0.234 COCCCOCCCOC(C)C e05b934e7c4dd8d73484db02139f4919 [0,3,0,0,0,0|0,0,0]=3 28641 B12R0.234 COCCCOCCCSC(=O)C d5e2b337217c26ef808e915abc099641 [0,3,0,0,0,0|0,0,1]=4 28642 B12R0.234 COCCCOCCCSC(C)C 392f66180c3b418b706848d919959f55 [0,3,0,0,0,0|0,0,0]=3 28643 B12R0.234 COCCCOCCOCC(C)C 0367b54a0919ae8d3eee03f2bf522b35 [0,3,0,0,0,0|0,0,0]=3 28644 B12R0.234 COCCCOCCOCC(F)F 7f171555cf3c395630138815e3b90677 [0,3,0,0,0,0|1,0,0]=4 28645 B12R0.234 COCCCOCCSCC(C)C 465ac8ae08743e6a0314d212c8c49902 [0,3,0,0,0,0|0,0,0]=3 28646 B12R0.234 COCCNCCCCCC(C)C e18b49c2d53ad3b2910659ee1cc551d5 [0,3,0,0,0,0|1,0,0]=4 28647 B12R0.234 COCCNCCOCCN(C)C da81aa301fad3285c14609f4d51b4f90 [0,3,0,0,0,0|1,0,0]=4 28648 B12R0.234 COCCOCCCCCC(=O)C 32749417def69712a6da5222f141f8fa [0,3,0,0,0,0|1,0,0]=4 28649 B12R0.234 COCCOCCCCCC(=O)N 2df08f37b7b7dd97ccfffc3044e8f9ac [0,3,0,0,0,0|1,0,0]=4 28650 B12R0.234 COCCOCCCCCC(=O)O 3f1f0ee6b55aa392ed0cad8e2ca529ea [0,3,0,0,0,0|1,0,0]=4 28651 B12R0.234 COCCOCCCCCC(C)C 946a6cfa6ec3235da71ff7bff24a115a [0,3,0,0,0,0|1,0,0]=4 28652 B12R0.234 COCCOCCCCCC(F)F afa7beb7d2f80c6f1af832f20cf99817 [0,3,0,0,0,0|1,0,0]=4 28653 B12R0.234 COCCOCCCCCN(C)C 03fa9cbd9cb07f066775a9c8f62dcc65 [0,3,0,0,0,0|1,0,0]=4 28654 B12R0.234 COCCOCCCCNC(=O)C 1b7109e5e64124550fce21ead36a5217 [0,3,0,0,0,0|1,0,0]=4 28655 B12R0.234 COCCOCCCCNC(C)C f3fe090e05189bac1adc9ef0631ec3ce [0,3,0,0,0,0|1,0,0]=4 28656 B12R0.234 COCCOCCCCOC(=O)C 6a3bbc0a8096998742a1eb671948a176 [0,3,0,0,0,0|1,0,0]=4 28657 B12R0.234 COCCOCCCCSC(=O)C a970fbf1b1040a52f34a025469b34674 [0,3,0,0,0,0|1,0,0]=4 28658 B12R0.234 COCCOCCCNCC(=O)C fdc1abe7f5ad63274942b10adb2404b5 [0,3,0,0,0,0|1,0,0]=4 28659 B12R0.234 COCCOCCCNCC(C)C bb803a5f2325aea3240715bbfe4e144f [0,3,0,0,0,0|1,0,0]=4 28660 B12R0.234 COCCOCCCNCC(C)O 51f3134115bcc2522cad6a7db508e4ab [0,3,0,0,0,0|1,0,0]=4 28661 B12R0.234 COCCOCCCNCC(F)F edc09f2ccbeeeb2999f5fdceb0ced8d4 [0,3,0,0,0,0|1,0,0]=4 28662 B12R0.234 COCCOCCCNCN(C)C aa70f45ff9390c90fb96c5f513287a16 [0,3,0,0,0,0|1,0,0]=4 28663 B12R0.234 COCCOCCCNC[C@@H](C)O e53b12ac698118825a1daa60352d61bb [0,3,0,0,0,0|1,0,0]=4 28664 B12R0.234 COCCOCCCNC[C@H](C)O f17f2b7cf598fccc86afb0231516cab1 [0,3,0,0,0,0|1,0,0]=4 28665 B12R0.234 COCCOCCCOCC(=O)C e1b20026aef8bfd34acae26c9eb48d43 [0,3,0,0,0,0|1,0,0]=4 28666 B12R0.234 COCCOCCCOCC(C)C 3d948d770061eb0715ee126fedd8ee6d [0,3,0,0,0,0|1,0,0]=4 28667 B12R0.234 COCCOCCCOCC(C)F e61c9230f37cef5bfe898a98776e162e [0,3,0,0,0,0|1,0,0]=4 28668 B12R0.234 COCCOCCCOCC(C)S e391a10dc7d802db35ca688143e71cce [0,3,0,0,0,0|1,0,0]=4 28669 B12R0.234 COCCOCCCOCC(F)F 6f26c8157ca3d1cdc37e1d67b298d9dc [0,3,0,0,0,0|1,0,0]=4 28670 B12R0.234 COCCOCCCOCN(C)C 3b2a53ebbdd888b081c05e69124fa0c6 [0,3,0,0,0,0|1,0,0]=4 28671 B12R0.234 COCCOCCCOC[C@@H](C)F 650f02ef715582b588eef48f03b9e718 [0,3,0,0,0,0|1,0,0]=4 28672 B12R0.234 COCCOCCCOC[C@H](C)F 5ac56c9f4cce677cdca1f1e8e0e0d97b [0,3,0,0,0,0|1,0,0]=4 28673 B12R0.234 COCCOCCCSCC(C)C c09ce985396118021f9a0d52a059ccb5 [0,3,0,0,0,0|1,0,0]=4 28674 B12R0.234 COCCOCCNCCC(=O)C 5e013b1c3cddcd77308a89029d516658 [0,3,0,0,0,0|1,0,0]=4 28675 B12R0.234 COCCOCCNCCC(C)C d3550b71053d1e806c15bbcc0a700ce3 [0,3,0,0,0,0|1,0,0]=4 28676 B12R0.234 COCCOCCNCCC(C)O 26a4658d02e96179edd78112883512ad [0,3,0,0,0,0|1,0,0]=4 28677 B12R0.234 COCCOCCNCCC(F)F b7a7020b9c21bdb7959b502ea76660be [0,3,0,0,0,0|1,0,0]=4 28678 B12R0.234 COCCOCCNCCN(C)C 573271610352ec34447b1d2134a2292e [0,3,0,0,0,0|1,0,0]=4 28679 B12R0.234 COCCOCCNCCS(=O)C 2821906e94b83801d646e4c114be94d2 [0,3,0,0,0,0|1,0,0]=4 28680 B12R0.234 COCCOCCNCC[C@@H](C)O ed9c2b78887e59bbcb2b3385df60cb68 [0,3,0,0,0,0|1,0,0]=4 28681 B12R0.234 COCCOCCNCC[C@H](C)O 9eb3718e6559119cd17ba2038cc5bf31 [0,3,0,0,0,0|1,0,0]=4 28682 B12R0.234 COCCOCCNCOC(C)C 35a779fff54ed5a1f7b887a398083661 [0,3,0,0,0,0|1,0,0]=4 28683 B12R0.234 COCCOCCOCCC(=O)C cd644b3e5cc2dc774e4c4504bb29bbbe [0,3,0,0,0,0|0,0,1]=4 28684 B12R0.234 COCCOCCOCCC(C)C c74f117ae04649da64593f6888bdbcdc [0,3,0,0,0,0|0,0,0]=3 28685 B12R0.234 COCCOCCOCCC(F)F 8a1d810d67bd6957cfaa9770c0d1706d [0,3,0,0,0,0|1,0,0]=4 28686 B12R0.234 COCCOCCOCCN(C)C 5c7f4fead467aa82d19e25401cfc1da2 [0,3,0,0,0,0|1,0,0]=4 28687 B12R0.234 COCCOCCOCCS(=O)C 1abccb7a26a4b763dd4fd6283d84f0bc [0,3,0,0,0,0|1,0,0]=4 28688 B12R0.234 COCCOCCOCOC(C)C 22028d84937f69c7836f4edc567519a2 [0,3,0,0,0,0|1,0,0]=4 28689 B12R0.234 COCCOCNCCCC(C)C 91246852659426921d127835db30dab4 [0,3,0,0,0,0|1,0,0]=4 28690 B12R0.234 COCCOCNCCCN(C)C ff6dfcc58793cd250f077563ba696dd0 [0,3,0,0,0,0|1,0,0]=4 28691 B12R0.234 COCCOCNCCCS(=O)C f23b6783409ecfc9b5248600ade7765b [0,3,0,0,0,0|1,0,0]=4 28692 B12R0.234 COCCOCNCCOC(C)C 66ef2a29d5e1b49edb3649fd44248b20 [0,3,0,0,0,0|1,0,0]=4 28693 B12R0.234 COCCOCOCCCC(=O)C eb0f5f4d3fd01c9300945f1405e7242a [0,3,0,0,0,0|0,0,1]=4 28694 B12R0.234 COCCOCOCCCC(C)C e22b64faafc84873c6bc604ed752e9aa [0,3,0,0,0,0|0,0,0]=3 28695 B12R0.234 COCCOCOCCCN(C)C 80e1f47327cbf9043555e7b6359e85e2 [0,3,0,0,0,0|1,0,0]=4 28696 B12R0.234 COCCOCOCCOC(C)C 386887663ef279e83425e5a18cd2023d [0,3,0,0,0,0|1,0,0]=4 28697 B12R0.234 COCCOCOCCSC(C)C 19ae454e4b23995711b004c85c729bbc [0,3,0,0,0,0|1,0,0]=4 28698 B12R0.234 COCNCCCCCCC(C)C 70ac888989bd6423bd290b30c7b69f12 [0,3,0,0,0,0|1,0,0]=4 28699 B12R0.234 COCOCCCCCCC(C)C 7fe565ba7b201a3793b1b706a98c750f [0,3,0,0,0,0|1,0,0]=4 28700 B12R0.234 COCOCCNCCCC(C)C 699b4f173e3165c62f63dc0e058bf8e9 [0,3,0,0,0,0|1,0,0]=4 28701 B12R0.234 COCOCCOCCCC(=O)C bbc2c34344d0bcd36e887a01fa1ea12e [0,3,0,0,0,0|0,0,1]=4 28702 B12R0.234 COCOCCOCCCC(C)C b7de57ba25b9cbefa1c54990ae7b4bf2 [0,3,0,0,0,0|0,0,0]=3 28703 B12R0.234 COCOCCOCCCN(C)C d68118b1a678b6d0f82fc72299991879 [0,3,0,0,0,0|1,0,0]=4 28704 B12R0.234 COCOCCOCCOC(C)C 37081c187317f274b8adb9404202647f [0,3,0,0,0,0|1,0,0]=4 28705 B12R0.234 COCOCCOCCSC(C)C bf7563065585fdf094cd0c05391e6d3f [0,3,0,0,0,0|1,0,0]=4 28706 B12R0.234 CS(=O)CCCNCCCCCF 62670d865225512746b2e9e34752964a [0,3,0,0,0,0|1,0,0]=4 28707 B12R0.234 CS(=O)CCCNCCCCCO 05067c14475cfa637f732e40315501e3 [0,3,0,0,0,0|1,0,0]=4 28708 B12R0.234 CS(=O)CCNCCOCCCO 6876d3bf7673fab911e253a99a30696c [0,3,0,0,0,0|1,0,0]=4 28709 B12R0.234 CS(=O)CCOCCCCCC#N 2afcc2956b6cbf971121cf484e16e683 [0,3,0,0,0,0|1,0,0]=4 28710 B12R0.234 CS(=O)CCOCCCCCC=O a469dd663412fe4a08611ca06dad5e48 [0,3,0,0,0,0|1,0,0]=4 28711 B12R0.234 CS(=O)CCOCCCCCCF b351a8166a9bbffe978c7a38282c22fd [0,3,0,0,0,0|1,0,0]=4 28712 B12R0.234 CS(=O)CCOCCCCCCS 455e2c5549a7401f8679b42d354e807f [0,3,0,0,0,0|1,0,0]=4 28713 B12R0.234 CSCCCCNCCCC(=O)C 4421f7344d273170f7c936adbb182c64 [0,3,0,0,0,0|1,0,0]=4 28714 B12R0.234 CSCCCCNCCCC(C)C 27b3013b18dabfff3d05a81f87297cf9 [0,3,0,0,0,0|1,0,0]=4 28715 B12R0.234 CSCCCCNCCCC(C)O 981e5c4cc63c709e55aa7e901247d3f8 [0,3,0,0,0,0|1,0,0]=4 28716 B12R0.234 CSCCCCNCCCN(C)C 5bca9fa1d726869fef040e7b805d5592 [0,3,0,0,0,0|1,0,0]=4 28717 B12R0.234 CSCCCCNCCOC(C)C 659e2ad9724254caed7b929747c12ec6 [0,3,0,0,0,0|1,0,0]=4 28718 B12R0.234 CSCCCCNCCSC(C)C d4b7b4410071cae3d92f743ce3f2398b [0,3,0,0,0,0|1,0,0]=4 28719 B12R0.234 CSCCCCOC/C=C/C(C)C 7ae5547c4811d8430f4ed1bff82b007b [0,3,0,0,0,0|0,0,1]=4 28720 B12R0.234 CSCCCCOCCC=C(C)C b712b57961faf1ab2fb19d15b6366c3a [0,3,0,0,0,0|0,0,1]=4 28721 B12R0.234 CSCCCCOCCCC(=O)C 99faf0434cdcdcf43f718d5e1bbd20fa [0,3,0,0,0,0|0,0,0]=3 28722 B12R0.234 CSCCCCOCCCC(=O)N 969a1f493ce4cc5e9a79a81aa5271b7f [0,3,0,0,0,0|0,0,1]=4 28723 B12R0.234 CSCCCCOCCCC(C)C 271f4b641cbb889f94eef45d24439f09 [0,3,0,0,0,0|0,0,0]=3 28724 B12R0.234 CSCCCCOCCCN(C)C 2c9b6838129e164a6416c048d4c98400 [0,3,0,0,0,0|0,0,0]=3 28725 B12R0.234 CSCCCCOCCC[N+](=O)[O-] 5b47b3a249456b35807824253e88c332 [0,3,0,0,0,0|1,0,0]=4 28726 B12R0.234 CSCCCCOCCNC(=O)C d9b9dad7ce02cbfbe8f177954889799e [0,3,0,0,0,0|0,0,1]=4 28727 B12R0.234 CSCCCCOCCOC(=O)C bd4574ee6d8a7cc4b8ed9e37ea57a012 [0,3,0,0,0,0|0,0,1]=4 28728 B12R0.234 CSCCCCOCCOC(C)C d59406471bf9381d6003f01e412bacdd [0,3,0,0,0,0|0,0,0]=3 28729 B12R0.234 CSCCCCOCCOC(F)F 1335811b4a55c2458a9c83cd3aaa4bd4 [0,3,0,0,0,0|1,0,0]=4 28730 B12R0.234 CSCCCCOCCSC(=O)C 7def041ccaf9cfeaae8f186e66d33f10 [0,3,0,0,0,0|0,0,1]=4 28731 B12R0.234 CSCCCCOCCSC(C)C 6fd5ed19e3650d82f55b798d20c92459 [0,3,0,0,0,0|0,0,0]=3 28732 B12R0.234 CSCCCNCCCCC(=O)C 76dfda0f9870f68d15e589e55852ead0 [0,3,0,0,0,0|1,0,0]=4 28733 B12R0.234 CSCCCNCCCCC(C)C 20a7a28636b92951ec02b648933891a1 [0,3,0,0,0,0|1,0,0]=4 28734 B12R0.234 CSCCCNCCCCC(C)O f5a0cfefd9c3db7070c188b938d3a99e [0,3,0,0,0,0|1,0,0]=4 28735 B12R0.234 CSCCCNCCCCC(F)F 61d946a1efdbbff99b83d556de9ff5ca [0,3,0,0,0,0|1,0,0]=4 28736 B12R0.234 CSCCCNCCCCN(C)C aec6957e4fca332c9754213d7877a512 [0,3,0,0,0,0|1,0,0]=4 28737 B12R0.234 CSCCCNCCCC[C@@H](C)O 79f88c36702e18555f964cd87e682f32 [0,3,0,0,0,0|1,0,0]=4 28738 B12R0.234 CSCCCNCCCOC(C)C 58d3e6f8570039a7dd8a30b6f9f19cf7 [0,3,0,0,0,0|1,0,0]=4 28739 B12R0.234 CSCCCNCCCSC(C)C 8fb239ec10e4761907f20af7d3c3ac4e [0,3,0,0,0,0|1,0,0]=4 28740 B12R0.234 CSCCCNCCOCC(C)C 661325c8cce2b773426586ce9eb7ad0e [0,3,0,0,0,0|1,0,0]=4 28741 B12R0.234 CSCCCOCCCCC(=O)C e7ae99ca5fe49c94eafc004fc9c72084 [0,3,0,0,0,0|0,0,0]=3 28742 B12R0.234 CSCCCOCCCCC(=O)N c8070b75b55a9618125c0d66d6cce3ee [0,3,0,0,0,0|0,0,1]=4 28743 B12R0.234 CSCCCOCCCCC(=O)O dbf4ce6c0157a9a9073249229d221019 [0,3,0,0,0,0|0,0,1]=4 28744 B12R0.234 CSCCCOCCCCC(C)C 826a64c9e3488c99f795444734c57b4c [0,3,0,0,0,0|0,0,0]=3 28745 B12R0.234 CSCCCOCCCCN(C)C 147e71ad6d627a512c3314d7bb5cf6dd [0,3,0,0,0,0|0,0,0]=3 28746 B12R0.234 CSCCCOCCCC[N+](=O)[O-] bb96f2822eae0507c8939b25a5dc67b9 [0,3,0,0,0,0|1,0,0]=4 28747 B12R0.234 CSCCCOCCCNC(=O)C 1467298f448d20873b16528f5995315a [0,3,0,0,0,0|0,0,1]=4 28748 B12R0.234 CSCCCOCCCOC(=O)C 6f3bc86a94aa2a8b0723f16a5d942f72 [0,3,0,0,0,0|0,0,1]=4 28749 B12R0.234 CSCCCOCCCOC(=S)C 76336ef5b553153a3251328be3816299 [0,3,0,0,0,0|0,0,1]=4 28750 B12R0.234 CSCCCOCCCOC(C)C 03e7c6e3ce8bce3220c9103761979048 [0,3,0,0,0,0|0,0,0]=3 28751 B12R0.234 CSCCCOCCCSC(=O)C f851e406d95794eae7461a53ee98631b [0,3,0,0,0,0|0,0,1]=4 28752 B12R0.234 CSCCCOCCCSC(C)C b27d70555176424b1c0653584c5e7ef1 [0,3,0,0,0,0|0,0,0]=3 28753 B12R0.234 CSCCCOCCOCC(C)C f4f4fadb51f8f4ca37e5d509f7d7452d [0,3,0,0,0,0|0,0,0]=3 28754 B12R0.234 CSCCCOCCOCC(F)F 8c78df5a2cbeb578d8370033bad2317b [0,3,0,0,0,0|1,0,0]=4 28755 B12R0.234 CSCCCOCCSCC(C)C 7cc987456cf1744cf7d11556c7a1fb89 [0,3,0,0,0,0|0,0,0]=3 28756 B12R0.234 CSCCNCCCCCC(C)C 612b08e3a25110974d42d9d811a857f9 [0,3,0,0,0,0|1,0,0]=4 28757 B12R0.234 CSCCNCCOCCN(C)C 66b7369f6d02a3715c9e455d489b5df4 [0,3,0,0,0,0|1,0,0]=4 28758 B12R0.234 CSCCOCCCCCC(=O)C a22b7fc34ffa94aee0a15a32700925f8 [0,3,0,0,0,0|1,0,0]=4 28759 B12R0.234 CSCCOCCCCCC(=O)N 0a71d8e154c8197cbd7ed5aea5026aae [0,3,0,0,0,0|1,0,0]=4 28760 B12R0.234 CSCCOCCCCCC(=O)O cb0796621d9ab3a0b6d44c704a69dd0c [0,3,0,0,0,0|1,0,0]=4 28761 B12R0.234 CSCCOCCCCCC(C)C ae472848186a470ec25319d4ec71aa7e [0,3,0,0,0,0|1,0,0]=4 28762 B12R0.234 CSCCOCCCCCC(F)F 71065706210074525c0878dfd7ab2e4e [0,3,0,0,0,0|1,0,0]=4 28763 B12R0.234 CSCCOCCCCCN(C)C 3d78e441da10112bf6634c294f773ea5 [0,3,0,0,0,0|1,0,0]=4 28764 B12R0.234 CSCCOCCCCOC(=O)C 050ba7aee03a308eca50a4543e72dcbb [0,3,0,0,0,0|1,0,0]=4 28765 B12R0.234 CSCCOCCCCSC(=O)C 60f4df83f54ab1bac6e6ef230031f22a [0,3,0,0,0,0|1,0,0]=4 28766 B12R0.234 CSCCOCCCNCC(C)C ae6cd358c127f565a9c3b0cc5ad9b3ff [0,3,0,0,0,0|1,0,0]=4 28767 B12R0.234 CSCCOCCCNCC(C)O 17916af03b3bd020b55c7775f83c0994 [0,3,0,0,0,0|1,0,0]=4 28768 B12R0.234 CSCCOCCCNCC(F)F 18f73d8418b950a57560606157fdee8d [0,3,0,0,0,0|1,0,0]=4 28769 B12R0.234 CSCCOCCCNCN(C)C fac3991d7b2f9b56afc06a79b25e2425 [0,3,0,0,0,0|1,0,0]=4 28770 B12R0.234 CSCCOCCCNC[C@@H](C)O 07288da5e2792c0f4ace2d3bf0a16320 [0,3,0,0,0,0|1,0,0]=4 28771 B12R0.234 CSCCOCCCNC[C@H](C)O 30e79bc7e632407e7298b12c3355544a [0,3,0,0,0,0|1,0,0]=4 28772 B12R0.234 CSCCOCCCOCC(C)C 03b14d9c0195dfd1b80448171d8b0053 [0,3,0,0,0,0|1,0,0]=4 28773 B12R0.234 CSCCOCCCSCC(C)C 005bc05b272ef52d902d5c99bcfcc59f [0,3,0,0,0,0|1,0,0]=4 28774 B12R0.234 CSCCOCCOCCN(C)C 9846e397408bb345405e948f34b3d0f2 [0,3,0,0,0,0|1,0,0]=4 28775 B12R0.234 CSCNCCCCCCC(C)C 9c655c9c16f28bbf5871c5aef6a12ccb [0,3,0,0,0,0|1,0,0]=4 28776 B12R0.234 CSCOCCCCCCC(C)C 72938bb0223f22577a71ca88215a267d [0,3,0,0,0,0|1,0,0]=4 28777 B12R0.234 C[C@@H](O)CCCCNCCCCCl e0842e2c4fa408f677d8e9aefff39610 [0,3,0,0,0,0|1,0,0]=4 28778 B12R0.234 C[C@@H](O)CCCCNCCCCO 0af8eeb1fd9cb4ed58954161a5cfcaab [0,3,0,0,0,0|1,0,0]=4 28779 B12R0.234 C[C@@H](O)CCCCNCCCCS ca53e1222040892d4b79a84b6dbdddee [0,3,0,0,0,0|1,0,0]=4 28780 B12R0.234 C[C@@H](O)CCNCCCCCC#N 43ab1d9fe74d1591cec52c977aa43e51 [0,3,0,0,0,0|1,0,0]=4 28781 B12R0.234 C[C@@H](O)CCNCCCCCC=O 80b5bcdae8ad50d9a3309d3bd7f27e41 [0,3,0,0,0,0|1,0,0]=4 28782 B12R0.234 C[C@@H](O)CCNCCCCCCF 21e699110714e61c99aad765b8666b5e [0,3,0,0,0,0|1,0,0]=4 28783 B12R0.234 C[C@@H](O)CCNCCCCCCO d463f1e255d30a705e844db06f4ce8d6 [0,3,0,0,0,0|1,0,0]=4 28784 B12R0.234 C[C@@H](O)CNCCCCCCCO 173d9076ee1e4bceb0380557ae473def [0,3,0,0,0,0|1,0,0]=4 28785 B12R0.234 C[C@@H](O)CNCCCOCCCO d2c19bdf8d3318d4726f5da9626b745d [0,3,0,0,0,0|1,0,0]=4 28786 B12R0.234 C[C@H](O)CCNCCCCCC#N bf5de550c20078f30c4aed5422fe898e [0,3,0,0,0,0|1,0,0]=4 28787 B12R0.234 C[C@H](O)CCNCCCCCC=O 4ce78f98a86ca4ab8ab2c490eb048d06 [0,3,0,0,0,0|1,0,0]=4 28788 B12R0.234 C[C@H](O)CCNCCCCCCF 7999a2f15352f730449c61045aa7f7e9 [0,3,0,0,0,0|1,0,0]=4 28789 B12R0.234 C[C@H](O)CCNCCCCCCO 9c556961907f2cb1f07cc2a8f1996d47 [0,3,0,0,0,0|1,0,0]=4 28790 B12R0.234 C[C@H](O)CNCCCCCCCO 120cc2b1893fc31a2209a0ba4d17df3b [0,3,0,0,0,0|1,0,0]=4 28791 B12R0.234 C[C@H](O)CNCCCOCCCO 0927863fc4710795896c979f1d2abb89 [0,3,0,0,0,0|1,0,0]=4 28792 B12R0.234 FC(F)CCCCCOCCCS 36c0aba66a07ee10888c6995f05801f4 [0,3,0,0,0,0|1,0,0]=4 28793 B12R0.234 FC(F)COCCOCCCCS 1d369c5e1fff6dbaca1f855132ee6c95 [0,3,0,0,0,0|1,0,0]=4 28794 B12R0.234 FCCCCCCOCCC(F)F 1ef06122142f57cec92c99b45c531bcc [0,3,0,0,0,0|1,0,0]=4 28795 B12R0.234 FCCCCCOCCOC(F)F fdfaace0d6ccaa95ecd1aba92047bc6b [0,3,0,0,0,0|1,0,0]=4 28796 B12R0.234 FCCCCNCCCCC(F)F 3aaf0e8d895875d8191c8ec432f37392 [0,3,0,0,0,0|1,0,0]=4 28797 B12R0.234 FCCCCOCCOCC(F)F 6fdc453651d788fa53224e5d71f1169d [0,3,0,0,0,0|1,0,0]=4 28798 B12R0.234 FCCCOCCCCCC(F)F 4c2fa595a53767db49c552b8448cf800 [0,3,0,0,0,0|1,0,0]=4 28799 B12R0.234 N#CCCCCCOCCC(F)F 0239cd9877a39fd5d7844d0fd9bf3df8 [0,3,0,0,0,0|1,0,0]=4 28800 B12R0.234 NC(=O)CCCCCOCCCF 0d5439db52ecf4aef5a53370eac18bb4 [0,3,0,0,0,0|1,0,0]=4 28801 B12R0.234 NC(=O)CCCCCOCCCS 35e5664f75e4d48859a0dac6c95f9b44 [0,3,0,0,0,0|1,0,0]=4 28802 B12R0.234 NC(=O)CCCCOCCCCF 640b4421a7ef77fce1561c88260e4b1e [0,3,0,0,0,0|0,0,1]=4 28803 B12R0.234 NC(=O)CCCCOCCCCS 44988ccf8ded10aea1f18d0900ef431b [0,3,0,0,0,0|0,0,1]=4 28804 B12R0.234 NC(=O)CCCOCCCCCF 0aa3051ce0a30f3a9ae5f56df148a61a [0,3,0,0,0,0|0,0,1]=4 28805 B12R0.234 O=C(O)CCCCCOCCCF dd2c291f12cbaed1beb5335f96bae866 [0,3,0,0,0,0|1,0,0]=4 28806 B12R0.234 O=C(O)CCCCCOCCCS 52318a2ee5f9f1576a38f1ea4d3aa604 [0,3,0,0,0,0|1,0,0]=4 28807 B12R0.234 O=C(O)CCCCOCCCCF 1c7b4d17a80c87a331aed20c1f230907 [0,3,0,0,0,0|0,0,1]=4 28808 B12R0.234 O=C(O)CCCCOCCCCS 609d646c0f91479749b9233bcb1c490f [0,3,0,0,0,0|0,0,1]=4 28809 B12R0.234 O=CCCCCCOCCC(F)F 90bd3573c469ff31e3b2abac09b6bf3e [0,3,0,0,0,0|1,0,0]=4 28810 B12R0.234 O=[N+]([O-])CCCCOCCCCF 680b50fb687dc6c28b383c986106955a [0,3,0,0,0,0|1,0,0]=4 28811 B12R0.234 O=[N+]([O-])CCCOCCCCCF c23ea5731f43e6d124b00cfc552c2388 [0,3,0,0,0,0|1,0,0]=4 28812 B12R0.234 OCCCCNCCCCC(F)F 0b91a842f72d3e3fcdad1d2cc5aa828b [0,3,0,0,0,0|1,0,0]=4 28813 B12R0.234 OCCCOCCCNCC(F)F 10a73238b06b89d1fd76352e2d42a4da [0,3,0,0,0,0|1,0,0]=4 28814 B12R0.268 C=C(C)CCCNCCCC(C)C 7205c3eec3ac6669aa8e936057ad058a [0,3,0,0,0,0|1,0,0]=4 28815 B12R0.268 C=C(C)CCCOCCCC(=C)C 6a281160fde29faaf0f47ad711acb83a [0,3,0,0,0,0|0,0,1]=4 28816 B12R0.268 C=C(C)CCCOCCCC(=O)C 85ea5be5ec91ca989912fb41e7956f52 [0,3,0,0,0,0|0,0,1]=4 28817 B12R0.268 C=C(C)CCCOCCCC(C)C e1f5e4ccfd5037c45bc6da56e89c26a6 [0,3,0,0,0,0|0,0,0]=3 28818 B12R0.268 C=C(C)CCCOCCCN(C)C 087720cab9766baa360fc94a8b484090 [0,3,0,0,0,0|0,0,1]=4 28819 B12R0.268 C=C(C)CCCOCCOC(C)C 06d34ff67c33492f9b556a8cbdb6d3c6 [0,3,0,0,0,0|0,0,1]=4 28820 B12R0.268 C=C(C)CCCOCCSC(C)C ba419917691b50a7711cc6c2902dad45 [0,3,0,0,0,0|0,0,1]=4 28821 B12R0.268 C=C(C)CCOCCCCC(=O)C 79eda8867f357751aa92b507ca39a5c3 [0,3,0,0,0,0|0,0,1]=4 28822 B12R0.268 C=C(C)CCOCCCCC(C)C c4303f7491f0acd639e37ea6f5102ffe [0,3,0,0,0,0|0,0,1]=4 28823 B12R0.268 C=C(C)CCOCCCCN(C)C 7735ed752ecc2a2347112832fb7535ef [0,3,0,0,0,0|0,0,1]=4 28824 B12R0.268 C=C(C)CCOCCCOC(C)C 00151f0dd040e09acbee4570effe3473 [0,3,0,0,0,0|0,0,1]=4 28825 B12R0.268 C=C(C)CCOCCCSC(C)C c3e53826f9866c36b241bfe4ba386c02 [0,3,0,0,0,0|0,0,1]=4 28826 B12R0.268 C=C(C)CCOCCOCC(C)C 7ebe42c5f4fc5b5ca51bb6bf2eb2743f [0,3,0,0,0,0|0,0,1]=4 28827 B12R0.268 C=C(C)CCOCCSCC(C)C 9880d9125ca0437dccced1e5344c3605 [0,3,0,0,0,0|0,0,1]=4 28828 B12R0.268 C=C(C)COCCOCCC(C)C dd56da01f953181fac17a7e057287b35 [0,3,0,0,0,0|0,0,1]=4 28829 B12R0.268 CC(=CCCOCCCC(C)C)C 14fee197cdf470bd6314b10efd015725 [0,3,0,0,0,0|0,0,1]=4 28830 B12R0.268 CC(=O)CCCCNCCC(C)C 79db3092d6102a59e6a4729bee230e1f [0,3,0,0,0,0|1,0,0]=4 28831 B12R0.268 CC(=O)CCCCNCCC(C)O 0a79b3008577d0999b6f6e062f397ebc [0,3,0,0,0,0|1,0,0]=4 28832 B12R0.268 CC(=O)CCCCNCC[C@@H](C)O e5f4e5452e1975ea0e77eeb5c3654c14 [0,3,0,0,0,0|1,0,0]=4 28833 B12R0.268 CC(=O)CCCCNCC[C@H](C)O cc290693299e5d865b9c9a6a3efa6aec [0,3,0,0,0,0|1,0,0]=4 28834 B12R0.268 CC(=O)CCCCOCCC(=O)C 9e37a90c6100cf1efa019280a51a34d3 [0,3,0,0,0,0|0,0,1]=4 28835 B12R0.268 CC(=O)CCCCOCCC(C)C 541dc39bd2527116e2568a911c050439 [0,3,0,0,0,0|0,0,0]=3 28836 B12R0.268 CC(=O)CCCCOCCC(F)F b9250f6a3748805f3899e92cc569fd78 [0,3,0,0,0,0|1,0,0]=4 28837 B12R0.268 CC(=O)CCCCOCCN(C)C 65134fe429ea0efcabb9acf29efd16ad [0,3,0,0,0,0|1,0,0]=4 28838 B12R0.268 CC(=O)CCCCOCCS(=O)C e20f4ff139edf17d60235ee62e950480 [0,3,0,0,0,0|1,0,0]=4 28839 B12R0.268 CC(=O)CCCCOCOC(C)C b6e4fd4f53e6aee2ece8c89fd4ea9225 [0,3,0,0,0,0|1,0,0]=4 28840 B12R0.268 CC(=O)CCCNCCCC(C)C be90f6bb1d7b250c8650cae70348773a [0,3,0,0,0,0|1,0,0]=4 28841 B12R0.268 CC(=O)CCCOCCCC(=O)C d9cc4712522fc03f3dd588a11965b773 [0,3,0,0,0,0|0,0,1]=4 28842 B12R0.268 CC(=O)CCCOCCCC(C)C c52f2cbfa9af5ce02a2b488d27d53b63 [0,3,0,0,0,0|0,0,0]=3 28843 B12R0.268 CC(=O)CCCOCCCN(C)C 3ff4533ee8d7d9b5b944ca9e22762ef0 [0,3,0,0,0,0|0,0,1]=4 28844 B12R0.268 CC(=O)CCCOCCOC(C)C d2471396a9cb3e55cebe15ba37a097dd [0,3,0,0,0,0|0,0,1]=4 28845 B12R0.268 CC(=O)CCCOCCSC(C)C 69bde9cb898afa6198fb83ba5df27228 [0,3,0,0,0,0|0,0,1]=4 28846 B12R0.268 CC(=O)CCOCCCCC(C)C c175f11c6de35fc87bc817dcccaa1a16 [0,3,0,0,0,0|0,0,1]=4 28847 B12R0.268 CC(=O)CCOCCCCN(C)C 965141bb482b56950e43864b07e58e7b [0,3,0,0,0,0|0,0,1]=4 28848 B12R0.268 CC(=O)CCOCCCOC(C)C 3de9304542842d5cd56b1fd8838effe4 [0,3,0,0,0,0|0,0,1]=4 28849 B12R0.268 CC(=O)CCOCCCSC(C)C 6aa0316ca4d168c4140ef0523b721108 [0,3,0,0,0,0|0,0,1]=4 28850 B12R0.268 CC(=O)CCOCCOCC(C)C 4a442a7319ff2e1b756148b21563fdce [0,3,0,0,0,0|0,0,1]=4 28851 B12R0.268 CC(=O)CCOCCSCC(C)C ee56ff116eabd51fca8b7664b90974ea [0,3,0,0,0,0|0,0,1]=4 28852 B12R0.268 CC(=O)NCCCOCCC(C)C 9ecb57134fe227b711bbbcfcfb6f52e7 [0,3,0,0,0,0|0,0,1]=4 28853 B12R0.268 CC(=O)NCCOCCCC(C)C c54ce6ee9dcf4a513c06d652e773834d [0,3,0,0,0,0|0,0,1]=4 28854 B12R0.268 CC(=O)OCCCOCCC(C)C 7f2525c9fb043e9cc4d684d8c78001ef [0,3,0,0,0,0|0,0,1]=4 28855 B12R0.268 CC(=O)OCCOCCCC(C)C 0d3ac3307e156c582d5569e1e8c3142f [0,3,0,0,0,0|0,0,1]=4 28856 B12R0.268 CC(=O)SCCCOCCC(C)C ae1cc2e1b049cb3676c9ce4556e89e19 [0,3,0,0,0,0|0,0,1]=4 28857 B12R0.268 CC(=O)SCCOCCCC(C)C 5dc93902ff66f564c4cd6850363b1324 [0,3,0,0,0,0|0,0,1]=4 28858 B12R0.268 CC(=S)OCCCOCCC(C)C e3e9b94371f38ca405953a00357814e7 [0,3,0,0,0,0|0,0,1]=4 28859 B12R0.268 CC(C)/C=C/COCCCC(C)C f86f36c8cef13bf82d9ca0152adfb03e [0,3,0,0,0,0|0,0,1]=4 28860 B12R0.268 CC(C)CCCCCCNC(C)C 40118e1ef272125c43de6c5fd616b9bc [0,3,0,0,0,0|1,0,0]=4 28861 B12R0.268 CC(C)CCCCCCOC(C)C 063dfa1f2b749213fc23dda9d43c7cc6 [0,3,0,0,0,0|1,0,0]=4 28862 B12R0.268 CC(C)CCCCCNCC(C)C fc6e2eb85a4ce251550fdb590f5e2344 [0,3,0,0,0,0|1,0,0]=4 28863 B12R0.268 CC(C)CCCCCNCC(C)O 8c296eeb310e4254cde3c8dbff584dad [0,3,0,0,0,0|1,0,0]=4 28864 B12R0.268 CC(C)CCCCCNC[C@@H](C)O 7b6f280296c9380a9fd6a2e191b5a127 [0,3,0,0,0,0|1,0,0]=4 28865 B12R0.268 CC(C)CCCCCNC[C@H](C)O df8cdece7f64ae92248923ce6f24ecf8 [0,3,0,0,0,0|1,0,0]=4 28866 B12R0.268 CC(C)CCCCCOCC(C)C b950c703059738ef752c6408d7457cb7 [0,3,0,0,0,0|1,0,0]=4 28867 B12R0.268 CC(C)CCCCCOCC(C)F cf9faf48c255816493fe94a01d412a4a [0,3,0,0,0,0|1,0,0]=4 28868 B12R0.268 CC(C)CCCCCOCC(C)S 7d7374cd967872d9da8386b6f779082f [0,3,0,0,0,0|1,0,0]=4 28869 B12R0.268 CC(C)CCCCCOC[C@@H](C)F 7e770bd8812278ab36500fbf8a69ade3 [0,3,0,0,0,0|1,0,0]=4 28870 B12R0.268 CC(C)CCCCCOC[C@H](C)F 5f85fb05e60f352dc1f5d3ce38752f98 [0,3,0,0,0,0|1,0,0]=4 28871 B12R0.268 CC(C)CCCCNCCC(C)C f3b5a1fc70689a4cf3f529b59a14f5da [0,3,0,0,0,0|1,0,0]=4 28872 B12R0.268 CC(C)CCCCNCCC(C)O de66ca1cca76c20acc226e3de8ab7f9f [0,3,0,0,0,0|1,0,0]=4 28873 B12R0.268 CC(C)CCCCNCC[C@@H](C)O 41f5e7f60a163149c646010ca6aaf7c5 [0,3,0,0,0,0|1,0,0]=4 28874 B12R0.268 CC(C)CCCCNCC[C@H](C)O e71ea23502c1fb79161d4d81d21f17df [0,3,0,0,0,0|1,0,0]=4 28875 B12R0.268 CC(C)CCCCOCCC(C)C 8ff1682f199de350b595fced74c96623 [0,3,0,0,0,0|0,0,0]=3 28876 B12R0.268 CC(C)CCCCOCCC(F)F b2f8cf7568c8384d69ce00088a1a7d09 [0,3,0,0,0,0|1,0,0]=4 28877 B12R0.268 CC(C)CCCCOCCN(C)C 2dbca1930cc7cee60da45698eb3334df [0,3,0,0,0,0|1,0,0]=4 28878 B12R0.268 CC(C)CCCCOCCS(=O)C e4e59eaa27d9214ae25384c8a1b93c5d [0,3,0,0,0,0|1,0,0]=4 28879 B12R0.268 CC(C)CCCCOCOC(C)C fb5f177bfa98c233c9b70f2c7e02d811 [0,3,0,0,0,0|1,0,0]=4 28880 B12R0.268 CC(C)CCCNCCCC(C)C 30e552f04bd07c9fbc8ed00654cba6e4 [0,3,0,0,0,0|1,0,0]=4 28881 B12R0.268 CC(C)CCCNCCCC(C)O b9864289dab92da14ba03113245ce737 [0,3,0,0,0,0|1,0,0]=4 28882 B12R0.268 CC(C)CCCNCCCN(C)C 660f273386962722b46b33aeb7e6ba6e [0,3,0,0,0,0|1,0,0]=4 28883 B12R0.268 CC(C)CCCNCCCS(=O)C 69ce10f65bd882802139ebd3d9e04172 [0,3,0,0,0,0|1,0,0]=4 28884 B12R0.268 CC(C)CCCNCCOC(C)C cb7a8e8b5c05b9abaa2457eecc162baf [0,3,0,0,0,0|1,0,0]=4 28885 B12R0.268 CC(C)CCCNCCSC(C)C 665b9fc765f64a3f1eb782954e8c3be0 [0,3,0,0,0,0|1,0,0]=4 28886 B12R0.268 CC(C)CCCOCCCC(=O)N 132567646765e45229d5787f5f5347a4 [0,3,0,0,0,0|0,0,1]=4 28887 B12R0.268 CC(C)CCCOCCCC(C)C 17797f044cad227bc4f06d511f11800c [0,3,0,0,0,0|0,0,0]=3 28888 B12R0.268 CC(C)CCCOCCCN(C)C 4a273e9222e22f54a580ad7a38c45cba [0,3,0,0,0,0|0,0,0]=3 28889 B12R0.268 CC(C)CCCOCCC[N+](=O)[O-] 7d4406c28ab95d591214d134c80211b7 [0,3,0,0,0,0|1,0,0]=4 28890 B12R0.268 CC(C)CCCOCCOC(C)C 246a00107cf533fd8d2e6f170faa6dd8 [0,3,0,0,0,0|0,0,0]=3 28891 B12R0.268 CC(C)CCCOCCOC(F)F dcf0e09e11acb331726651d541142285 [0,3,0,0,0,0|1,0,0]=4 28892 B12R0.268 CC(C)CCCOCCSC(C)C 80ddfe24c14a6708157a39b9c31cf370 [0,3,0,0,0,0|0,0,0]=3 28893 B12R0.268 CC(C)CCNCCCCC(C)O 3a1fbe0d96e6e3cd3eec55341036bb65 [0,3,0,0,0,0|1,0,0]=4 28894 B12R0.268 CC(C)CCNCCCCC(F)F bb30f60d3b12a41de7cadc0978eaa449 [0,3,0,0,0,0|1,0,0]=4 28895 B12R0.268 CC(C)CCNCCCCN(C)C f1f44b695770b22119255b1534dbf50c [0,3,0,0,0,0|1,0,0]=4 28896 B12R0.268 CC(C)CCNCCCC[C@@H](C)O 73a59c355a71249c2c704ea4cef776e2 [0,3,0,0,0,0|1,0,0]=4 28897 B12R0.268 CC(C)CCNCCCOC(C)C 769f28573fb263445e245b225a023d6e [0,3,0,0,0,0|1,0,0]=4 28898 B12R0.268 CC(C)CCNCCCSC(C)C 737eb21f358b82b2886f9bceddcac83a [0,3,0,0,0,0|1,0,0]=4 28899 B12R0.268 CC(C)CCNCCOCC(C)C d92d35aa193c0d8e6b34adcadf088bb1 [0,3,0,0,0,0|1,0,0]=4 28900 B12R0.268 CC(C)CCOCCCCC(=O)N b8cec939c9eea690062b4f3fd9757ff3 [0,3,0,0,0,0|0,0,1]=4 28901 B12R0.268 CC(C)CCOCCCCC(=O)O 3ae9c5d31d01bc421d73e55604a98e93 [0,3,0,0,0,0|0,0,1]=4 28902 B12R0.268 CC(C)CCOCCCCN(C)C b23acdbc51d011b1cb7ab1a0a33dabf3 [0,3,0,0,0,0|0,0,0]=3 28903 B12R0.268 CC(C)CCOCCCC[N+](=O)[O-] 83bf89c943427a270f61535cf88599f1 [0,3,0,0,0,0|1,0,0]=4 28904 B12R0.268 CC(C)CCOCCCOC(C)C 782fa64b8330af62fe01f785ecc7198f [0,3,0,0,0,0|0,0,0]=3 28905 B12R0.268 CC(C)CCOCCCSC(C)C c431a8075ab1de0122f55c977e47e7f1 [0,3,0,0,0,0|0,0,0]=3 28906 B12R0.268 CC(C)CCOCCOCC(C)C 4359e0b64c26c7325456f8b8cd61df34 [0,3,0,0,0,0|0,0,0]=3 28907 B12R0.268 CC(C)CCOCCOCC(F)F eeb4f96f2544c3ce4f71d980591e70ea [0,3,0,0,0,0|1,0,0]=4 28908 B12R0.268 CC(C)CCOCCSCC(C)C b2a290539a50873e5eb5df6a21a4cc64 [0,3,0,0,0,0|0,0,0]=3 28909 B12R0.268 CC(C)CNCCOCCN(C)C 42eaaaf8e39ccc4c69237dd6749f4b43 [0,3,0,0,0,0|1,0,0]=4 28910 B12R0.268 CC(C)COCCNCCC(C)O 939ae26808b75b7441476bb3c33e424f [0,3,0,0,0,0|1,0,0]=4 28911 B12R0.268 CC(C)COCCNCC[C@@H](C)O 4e7d22c749751adda653074fcea34121 [0,3,0,0,0,0|1,0,0]=4 28912 B12R0.268 CC(C)COCCNCC[C@H](C)O b2546b5a81e69e4bb598f672ad03436c [0,3,0,0,0,0|1,0,0]=4 28913 B12R0.268 CC(C)COCCOCCC(F)F f7d8e1be7fa33ac767e00806f9568045 [0,3,0,0,0,0|1,0,0]=4 28914 B12R0.268 CC(C)COCCOCCN(C)C a3a79495dc52b452b67717f064344698 [0,3,0,0,0,0|1,0,0]=4 28915 B12R0.268 CC(C)COCCOCCS(=O)C 6912df2907a630e44a00d4e2b4d6b368 [0,3,0,0,0,0|1,0,0]=4 28916 B12R0.268 CC(C)COCCOCOC(C)C 6f5fd17a33d043798f91581985524a90 [0,3,0,0,0,0|1,0,0]=4 28917 B12R0.268 CC(C)CSCCOCCN(C)C bdce5784cabc7c5646f2a952446b5937 [0,3,0,0,0,0|1,0,0]=4 28918 B12R0.268 CC(C)CSCCOCCS(=O)C 2e23c901a6c9c89dfa3f1a0faa9d048c [0,3,0,0,0,0|1,0,0]=4 28919 B12R0.268 CC(C)CSCCOCOC(C)C 60a47a5f25f65b6cec9c3cd209f2b3dd [0,3,0,0,0,0|1,0,0]=4 28920 B12R0.268 CC(C)OCCCOCCN(C)C fb9c961b1f3b1b20ab1e4ffe3811082f [0,3,0,0,0,0|1,0,0]=4 28921 B12R0.268 CC(C)OCCCOCCS(=O)C a829a74ab75f126d04f4579dc563d69a [0,3,0,0,0,0|1,0,0]=4 28922 B12R0.268 CC(C)OCCCOCOC(C)C 9fda0e4e869a95ea7b859ca90a88fd03 [0,3,0,0,0,0|1,0,0]=4 28923 B12R0.268 CC(C)OCCOCCCN(C)C 302d7900209bf238cf94ec7cda6ca40e [0,3,0,0,0,0|1,0,0]=4 28924 B12R0.268 CC(C)OCCOCCOC(C)C 04ce19984bd7f574fb66d8eb9bb0fc3d [0,3,0,0,0,0|1,0,0]=4 28925 B12R0.268 CC(C)OCCOCCSC(C)C 8e7709f3700dcfb69bd93433bd8dacc3 [0,3,0,0,0,0|1,0,0]=4 28926 B12R0.268 CC(C)OCOCCCCN(C)C 2b175a2bd2e17cd801e1a2853a05b29b [0,3,0,0,0,0|1,0,0]=4 28927 B12R0.268 CC(C)OCOCCCSC(C)C 36cc55bd59b5adc0e03dbd9cb88f9386 [0,3,0,0,0,0|1,0,0]=4 28928 B12R0.268 CC(C)SCCCOCCN(C)C be28d338fb1f06c039159a991683251c [0,3,0,0,0,0|1,0,0]=4 28929 B12R0.268 CC(C)SCCCOCCS(=O)C a63bee6c77a7465cc02790dc49f027df [0,3,0,0,0,0|1,0,0]=4 28930 B12R0.268 CC(C)SCCOCCCN(C)C 1ab322b6508b9d80427ef01d287120b5 [0,3,0,0,0,0|1,0,0]=4 28931 B12R0.268 CC(C)SCCOCCSC(C)C c99afd6ac4d4f6a8d9b8f8fd6a4e7612 [0,3,0,0,0,0|1,0,0]=4 28932 B12R0.268 CC(O)CCCCNCCC(C)O b9cb2d117925f56e14e2a4322aed3bee [0,3,0,0,0,0|1,0,0]=4 28933 B12R0.268 CC(O)CCCCNCC[C@@H](C)O 8e0b317e099d3ee1f5f75cca8ab864ca [0,3,0,0,0,0|1,0,0]=4 28934 B12R0.268 CC(O)CCCCNCC[C@H](C)O 9f5179d9b2a6f43698bfeb1d5b3500e6 [0,3,0,0,0,0|1,0,0]=4 28935 B12R0.268 CC(O)CCCNCCCN(C)C 85fe037d0b1602932b3d8561f80b520e [0,3,0,0,0,0|1,0,0]=4 28936 B12R0.268 CC(O)CCCNCCCS(=O)C 0d5fb88893e927a6b0e6fa8c6de7e2ef [0,3,0,0,0,0|1,0,0]=4 28937 B12R0.268 CC(O)CCCNCCOC(C)C c05104662bfd459f22e9b48c5db4ad2d [0,3,0,0,0,0|1,0,0]=4 28938 B12R0.268 CC(O)CCNCCCCC(F)F b76ea08b2fd123b4c9f2fcb392eff156 [0,3,0,0,0,0|1,0,0]=4 28939 B12R0.268 CC(O)CCNCCCCN(C)C a7a84fc5bc053613d2b26398ad04b128 [0,3,0,0,0,0|1,0,0]=4 28940 B12R0.268 CC(O)CCNCCCC[C@@H](C)O 64c50aa10e0b6519e1e37e471341bab3 [0,3,0,0,0,0|1,0,0]=4 28941 B12R0.268 CC(O)CCNCCCOC(C)C dfbadcb88bef26d6985a65dd3ddfb6e1 [0,3,0,0,0,0|1,0,0]=4 28942 B12R0.268 CC(O)CCNCCCSC(C)C 9732c8c517138e6b458044fd3ff74cf2 [0,3,0,0,0,0|1,0,0]=4 28943 B12R0.268 CC(O)CNCCOCCN(C)C 589a8e55cb4dcc1baaf9ffac168ac5cd [0,3,0,0,0,0|1,0,0]=4 28944 B12R0.268 CN(C)CCCCOCCC(F)F 88f24547b633a9b9f58e6b65b3a2d9cb [0,3,0,0,0,0|1,0,0]=4 28945 B12R0.268 CN(C)CCCCOCCN(C)C 170fff9418cff474a8ed7171089d7e45 [0,3,0,0,0,0|1,0,0]=4 28946 B12R0.268 CN(C)CCCCOCCS(=O)C 860321c03ae7d2773d4264a7413ea3e7 [0,3,0,0,0,0|1,0,0]=4 28947 B12R0.268 CN(C)CCCOCCCN(C)C 1d64586afb857bf288bbc321aaab0be6 [0,3,0,0,0,0|1,0,0]=4 28948 B12R0.268 C[C@@H](O)CCCCNCC[C@@H](C)O 5f35290ceae325998105f691c4a500b2 [0,3,0,0,0,0|1,0,0]=4 28949 B12R0.268 C[C@@H](O)CCNCCCCN(C)C d2331233156da99e72c9bf72879c0cb0 [0,3,0,0,0,0|1,0,0]=4 28950 B12R0.268 C[C@@H](O)CNCCOCCN(C)C 677f479ba9549705c249e6e9d0b9e5f6 [0,3,0,0,0,0|1,0,0]=4 28951 B12R0.268 C[C@H](O)CCNCCCCN(C)C e65bebc5307e648190da039b87e115e3 [0,3,0,0,0,0|1,0,0]=4 28952 B12R0.268 C[C@H](O)CCNCCCC[C@@H](C)O 1d676069494bdc8e1c586b37627192b4 [0,3,0,0,0,0|1,0,0]=4 28953 B12R0.268 C[C@H](O)CNCCOCCN(C)C c27e8e8aa3b6cf9d62b14d1d120719fa [0,3,0,0,0,0|1,0,0]=4 28954 B12R0.5 C#CCCCCCCCCNCC 993aeed57f4ae07ad4a2c6154e402bbf [0,3,0,0,0,0|1,0,0]=4 28955 B12R0.5 C#CCCCCCCCCOCC bef67814e888391970e4cac0d0792306 [0,3,0,0,0,0|1,0,0]=4 28956 B12R0.5 C#CCCCCCCCNCCC a5a518e2a20e48735b82999b33a06f76 [0,3,0,0,0,0|1,0,0]=4 28957 B12R0.5 C#CCCCCCCCOCCC 480f6a0e1c4b68539a6eccb8badfdc46 [0,3,0,0,0,0|1,0,0]=4 28958 B12R0.5 C#CCCCCCCNCCCC 13001fc57c2339c2833aaf3eabacd4e6 [0,3,0,0,0,0|1,0,0]=4 28959 B12R0.5 C#CCCCCCCOCCCC d154db9f1f0db3de91c703630ca07841 [0,3,0,0,0,0|0,0,0]=3 28960 B12R0.5 C#CCCCCCCOCCCF f74ce540d48f7b6291a7f553009400c8 [0,3,0,0,0,0|1,0,0]=4 28961 B12R0.5 C#CCCCCCCOCCCS ea59128893fbcdbf9bb733e5b881bab4 [0,3,0,0,0,0|1,0,0]=4 28962 B12R0.5 C#CCCCCCCOCCOC caf0b31db07e139dfa171984d9d4cc6f [0,3,0,0,0,0|1,0,0]=4 28963 B12R0.5 C#CCCCCCCOCCSC 1222feb9df89fba44e793cb86ebd82b1 [0,3,0,0,0,0|1,0,0]=4 28964 B12R0.5 C#CCCCCCCOCOCC 5ca2f301656293646f097b849cdbb29a [0,3,0,0,0,0|1,0,0]=4 28965 B12R0.5 C#CCCCCCNCCCCC 5a1314298080081d38e07858ba77c2ae [0,3,0,0,0,0|1,0,0]=4 28966 B12R0.5 C#CCCCCCNCCCCCl 79ab521f6b5b6c3772a35fa4c405f5d0 [0,3,0,0,0,0|1,0,0]=4 28967 B12R0.5 C#CCCCCCNCCCCF 37f15649cc39e14b406dc419277e0d0f [0,3,0,0,0,0|1,0,0]=4 28968 B12R0.5 C#CCCCCCNCCCCO d8c04b1d7d11c225fc367e81fdf7fcc6 [0,3,0,0,0,0|1,0,0]=4 28969 B12R0.5 C#CCCCCCNCCCCS b5d9bd4c650ebf96ce27efab3fe96c05 [0,3,0,0,0,0|1,0,0]=4 28970 B12R0.5 C#CCCCCCNCCCOC 7e922b04ee5c5ef0a26d49e0c1a8f0c4 [0,3,0,0,0,0|1,0,0]=4 28971 B12R0.5 C#CCCCCCNCCCSC 7624fc8cd6ae6eca6b219f66c11dd308 [0,3,0,0,0,0|1,0,0]=4 28972 B12R0.5 C#CCCCCCNCCOCC cf421b4228419b75e4a46e3d69ae7a6a [0,3,0,0,0,0|1,0,0]=4 28973 B12R0.5 C#CCCCCCNCCSCC e7070152e65a405ad475d5508a3602c2 [0,3,0,0,0,0|1,0,0]=4 28974 B12R0.5 C#CCCCCCOC/C=C/CC eb68f7716ace8b6df51ec62e593b40fd [0,3,0,0,0,0|0,0,1]=4 28975 B12R0.5 C#CCCCCCOC/C=C\CC b9c6ee664054706d314527bdd10b861e [0,3,0,0,0,0|0,0,1]=4 28976 B12R0.5 C#CCCCCCOCC#CCC b0f4dd04d058f154d0286a619e551097 [0,3,0,0,0,0|0,0,1]=4 28977 B12R0.5 C#CCCCCCOCC/C=C/C 68c59ab02234b60e5dfdcea000408a09 [0,3,0,0,0,0|0,0,1]=4 28978 B12R0.5 C#CCCCCCOCCC#CC 45458dd8992f5c368d1deb444bf2716c [0,3,0,0,0,0|0,0,1]=4 28979 B12R0.5 C#CCCCCCOCCCC#C 87c1ab4d98c61f24cb1292af3302a058 [0,3,0,0,0,0|0,0,1]=4 28980 B12R0.5 C#CCCCCCOCCCC#N 77eb477fa5ec82177f667b3d4b130f6f [0,3,0,0,0,0|0,0,1]=4 28981 B12R0.5 C#CCCCCCOCCCC=C f5c58f7858d0327334c729d59810523a [0,3,0,0,0,0|0,0,1]=4 28982 B12R0.5 C#CCCCCCOCCCC=O 99a2b09eb8326d571d2e2e2215333ab1 [0,3,0,0,0,0|0,0,1]=4 28983 B12R0.5 C#CCCCCCOCCCCC a93cf22ce4e749a4cae611ad7f6c6624 [0,3,0,0,0,0|0,0,0]=3 28984 B12R0.5 C#CCCCCCOCCCCF a5663f117a92df325c38a5b969892b0d [0,3,0,0,0,0|0,0,0]=3 28985 B12R0.5 C#CCCCCCOCCCCS a9cc01ba946f081b38fc5bab0e83b7a6 [0,3,0,0,0,0|0,0,0]=3 28986 B12R0.5 C#CCCCCCOCCCOC 3cd10b42f511c42153e20b5aed63da52 [0,3,0,0,0,0|0,0,0]=3 28987 B12R0.5 C#CCCCCCOCCCSC fc1b5b8466b99b2ad9b3f9d2876d14c9 [0,3,0,0,0,0|0,0,0]=3 28988 B12R0.5 C#CCCCCCOCCOCC f7e0c9ec118e367c4d2acf572a8582d8 [0,3,0,0,0,0|0,0,0]=3 28989 B12R0.5 C#CCCCCCOCCSCC 8eb994b5a93ae91f48c79515b8c628c0 [0,3,0,0,0,0|0,0,0]=3 28990 B12R0.5 C#CCCCCNCCCCCC 2a6d2f6b7f738091dd7620b53eedcef2 [0,3,0,0,0,0|1,0,0]=4 28991 B12R0.5 C#CCCCCNCCCCCCl 555c33782465139da20a1694fe3ff237 [0,3,0,0,0,0|1,0,0]=4 28992 B12R0.5 C#CCCCCNCCCCCF 502e4524ff8369ad5304b5b7f782c25e [0,3,0,0,0,0|1,0,0]=4 28993 B12R0.5 C#CCCCCNCCCCCO 2864db0db19ba9f7fd3fde0e40832738 [0,3,0,0,0,0|1,0,0]=4 28994 B12R0.5 C#CCCCCNCCCCOC 70a3a7c3c14cfdd261d1d847954a8942 [0,3,0,0,0,0|1,0,0]=4 28995 B12R0.5 C#CCCCCNCCCCSC 0e35dcf6327990d28e713c07b12d6c2d [0,3,0,0,0,0|1,0,0]=4 28996 B12R0.5 C#CCCCCNCCCOCC 5807130bf04464ceab340bc9b096dcd0 [0,3,0,0,0,0|1,0,0]=4 28997 B12R0.5 C#CCCCCNCCCSCC aca8c401b9f36c74fbcb73b34ca3d8d3 [0,3,0,0,0,0|1,0,0]=4 28998 B12R0.5 C#CCCCCNCCOCCC 687478a860aa4138014113596a4abb08 [0,3,0,0,0,0|1,0,0]=4 28999 B12R0.5 C#CCCCCNCOCCCC 8ab71cf532ef32a58d7ff821e5b90227 [0,3,0,0,0,0|0,0,0]=3 29000 B12R0.5 C#CCCCCNCOCCOC 17ae5cd5b22740b8f71898a926419293 [0,3,0,0,0,0|1,0,0]=4 29001 B12R0.5 C#CCCCCOC/C=C/CCC 2632c41a9163bd570cfe9ae06fdccfb9 [0,3,0,0,0,0|0,0,1]=4 29002 B12R0.5 C#CCCCCOC/C=C\CCC 6dd1dc097d46b720e0b121c9722f0312 [0,3,0,0,0,0|0,0,1]=4 29003 B12R0.5 C#CCCCCOCC#CCCC 69f53a38746bdf741eb3dcd195240fc9 [0,3,0,0,0,0|0,0,1]=4 29004 B12R0.5 C#CCCCCOCC/C=C/CC c383c25d19ec73e4380b5d69abb69453 [0,3,0,0,0,0|0,0,1]=4 29005 B12R0.5 C#CCCCCOCC/C=C\CC fcbdf598fb174ea504deeac24f7502de [0,3,0,0,0,0|0,0,1]=4 29006 B12R0.5 C#CCCCCOCCC#CCC 31bd4404340a5c418fe287663ee2f845 [0,3,0,0,0,0|0,0,1]=4 29007 B12R0.5 C#CCCCCOCCC/C=C/C 241cc2a2ab45d7bccd8602e3decb1231 [0,3,0,0,0,0|0,0,1]=4 29008 B12R0.5 C#CCCCCOCCC/C=C\C 7c9066337de835054a59a46fdf8798de [0,3,0,0,0,0|0,0,1]=4 29009 B12R0.5 C#CCCCCOCCCC#CC cd42c4bc6b66df0f50b07f0961e0832e [0,3,0,0,0,0|0,0,1]=4 29010 B12R0.5 C#CCCCCOCCCC=CC 7d01491e3373b42411ff45c684dd312d [0,3,0,0,0,0|0,0,1]=4 29011 B12R0.5 C#CCCCCOCCCCC#C 6e2c2757d526bb2fa8bbda789728a245 [0,3,0,0,0,0|0,0,1]=4 29012 B12R0.5 C#CCCCCOCCCCC#N 4377d6481f72d86f8de1ed3de41e1ff1 [0,3,0,0,0,0|0,0,1]=4 29013 B12R0.5 C#CCCCCOCCCCC=C 0142533c073ee2ee0415be28513734d7 [0,3,0,0,0,0|0,0,1]=4 29014 B12R0.5 C#CCCCCOCCCCC=O d4e281b12d98422d08d7aa36d0bfee0b [0,3,0,0,0,0|0,0,1]=4 29015 B12R0.5 C#CCCCCOCCCCCC b5e6ad437a8ab71f6b35f10e81c42790 [0,3,0,0,0,0|0,0,0]=3 29016 B12R0.5 C#CCCCCOCCCCCF 2b917fb08e3140bc015a44e088434d60 [0,3,0,0,0,0|0,0,0]=3 29017 B12R0.5 C#CCCCCOCCCCOC 22975de002a75e73ca08d411d0951a42 [0,3,0,0,0,0|0,0,0]=3 29018 B12R0.5 C#CCCCCOCCCCSC a245353d24ddc282054896e9e0452c04 [0,3,0,0,0,0|0,0,0]=3 29019 B12R0.5 C#CCCCCOCCCOCC 1abe84be4076c9556bf644cc1a8074e6 [0,3,0,0,0,0|0,0,0]=3 29020 B12R0.5 C#CCCCCOCCCSCC e96bdd2bb050f5908830c81af19b0692 [0,3,0,0,0,0|0,0,0]=3 29021 B12R0.5 C#CCCCCOCCOCCC d3db95d27bd50ff5c4b55ed626a1845f [0,3,0,0,0,0|0,0,0]=3 29022 B12R0.5 C#CCCCCOCCOCCF 78713b25bdca51088be9330649a8f2d7 [0,3,0,0,0,0|0,0,1]=4 29023 B12R0.5 C#CCCCCOCCOCCS c5448ac0e93591c6612cea05f25e4597 [0,3,0,0,0,0|0,0,1]=4 29024 B12R0.5 C#CCCCCOCCOCOC 75b31f3dde770e57200d77b41a465b13 [0,3,0,0,0,0|0,0,1]=4 29025 B12R0.5 C#CCCCCOCCSCCC 92cbce507317e4bdf13571d28378c216 [0,3,0,0,0,0|0,0,0]=3 29026 B12R0.5 C#CCCCCOCOCCCC d632183e0545ea27dc1e9c344a778bfc [0,3,0,0,0,0|0,0,0]=3 29027 B12R0.5 C#CCCCCOCOCCOC f486ac19372174467be7e3527418c78e [0,3,0,0,0,0|0,0,1]=4 29028 B12R0.5 C#CCCCNCCCCCCC 88dca288fb1b28d708da94ddd31de7aa [0,3,0,0,0,0|1,0,0]=4 29029 B12R0.5 C#CCCCNCCOCCCC 79f3d700aaf45750f23d06fc862849f9 [0,3,0,0,0,0|0,0,0]=3 29030 B12R0.5 C#CCCCNCCOCCCO d31a4b62de7d57804aafc7c8cbb9504f [0,3,0,0,0,0|1,0,0]=4 29031 B12R0.5 C#CCCCNCCOCCOC 6f7f0cfc22496a7c82f5b29932477517 [0,3,0,0,0,0|1,0,0]=4 29032 B12R0.5 C#CCCCOC/C=C/CCCC afb2f5f05015df441709ef208147d0a5 [0,3,0,0,0,0|0,0,1]=4 29033 B12R0.5 C#CCCCOC/C=C\CCCC 3bc42261d34ad4e3ad44443e67a2eb9c [0,3,0,0,0,0|0,0,1]=4 29034 B12R0.5 C#CCCCOCC#CCCCC ad1c8b58c0c1bccb1544c9a7964f3061 [0,3,0,0,0,0|0,0,1]=4 29035 B12R0.5 C#CCCCOCC/C=C\CCC e907e30c7e8d5da23b6d1bc60c65d62c [0,3,0,0,0,0|0,0,1]=4 29036 B12R0.5 C#CCCCOCCC#CCCC 34468cb6595de9236918c3823250695e [0,3,0,0,0,0|0,0,1]=4 29037 B12R0.5 C#CCCCOCCC/C=C\CC d8fb6a4305d3a52826dd9401c399cfb7 [0,3,0,0,0,0|0,0,1]=4 29038 B12R0.5 C#CCCCOCCCCCC#N 3c1937e15247b1b207f63bd7992126bc [0,3,0,0,0,0|0,0,1]=4 29039 B12R0.5 C#CCCCOCCCCCC=C d91e7861095a0a91e2921b5f3c14cee5 [0,3,0,0,0,0|0,0,1]=4 29040 B12R0.5 C#CCCCOCCCCCC=O f7dbc726a1fec75f9853e606c626d632 [0,3,0,0,0,0|0,0,1]=4 29041 B12R0.5 C#CCCCOCCCCCCC 5e84beb2f6bab89c8c12e3379b2ee689 [0,3,0,0,0,0|0,0,1]=4 29042 B12R0.5 C#CCCCOCCCCCCF bf5275cc4f988c80fb6ba6f5300f7297 [0,3,0,0,0,0|0,0,1]=4 29043 B12R0.5 C#CCCCOCCCCCCS 838c3cfe9694282473023f4785d29753 [0,3,0,0,0,0|0,0,1]=4 29044 B12R0.5 C#CCCCOCCCCCOC 647fa7f208118277e0363d77dee8eca3 [0,3,0,0,0,0|0,0,1]=4 29045 B12R0.5 C#CCCCOCCCOCCC 72b2ecf170fa145493d53edc30a239d4 [0,3,0,0,0,0|0,0,1]=4 29046 B12R0.5 C#CCCCOCCOCCCC 1a80f148a628c0f1786833ad406a1120 [0,3,0,0,0,0|0,0,0]=3 29047 B12R0.5 C#CCCCOCCOCCOC 7fb0de58305e7d09d77131228923bba2 [0,3,0,0,0,0|0,0,1]=4 29048 B12R0.5 C#CCCCOCCSCCCC 7b3f29674b27978dbb8134210cd4222f [0,3,0,0,0,0|0,0,1]=4 29049 B12R0.5 C#CCCNCCCCCCCC 9856af9f07b5257367b38b660c40b41c [0,3,0,0,0,0|1,0,0]=4 29050 B12R0.5 C#CCCNCCCOCCCC 9034ae91ac65dd41eafdab146f6ba3e8 [0,3,0,0,0,0|0,0,0]=3 29051 B12R0.5 C#CCCNCCCOCCCO f9a8b30be7db8f11cc4162b037cfa1c4 [0,3,0,0,0,0|1,0,0]=4 29052 B12R0.5 C#CCCNCCCOCCOC 8133acf64c7fc870232ee31a8b8c2d91 [0,3,0,0,0,0|1,0,0]=4 29053 B12R0.5 C#CCCNCCCOCCSC ba1fc3dd87944bf39303868fd16cac54 [0,3,0,0,0,0|1,0,0]=4 29054 B12R0.5 C#CCCNCCOCCOCC e1fcf3460e01f6dc24588c1b7e0267cb [0,3,0,0,0,0|0,0,1]=4 29055 B12R0.5 C#CCCOCCCCCCCC d904e2e63ec36d304f1a90f6e82eef2a [0,3,0,0,0,0|1,0,0]=4 29056 B12R0.5 C#CCCOCCCOCCCC e55283b20ce1bb2fbaec4089e6ebe87f [0,3,0,0,0,0|0,0,0]=3 29057 B12R0.5 C#CCCOCCCOCCOC cbde3e2f84f41cb5878e66b4a2b529fa [0,3,0,0,0,0|1,0,0]=4 29058 B12R0.5 C#CCCOCCOCCCCC addadcd218b30a6d416e706658f2f179 [0,3,0,0,0,0|0,0,0]=3 29059 B12R0.5 C#CCCOCCOCCNCC 76c196b862db49684c559d3536e3439e [0,3,0,0,0,0|0,0,1]=4 29060 B12R0.5 C#CCCOCCOCCOCC 23a6447167371b5d8a2e6b6267be7e3b [0,3,0,0,0,0|0,0,1]=4 29061 B12R0.5 C#CCNCCCCCCCCC 03bfa53682a046dd2c66ae474fa52a3d [0,3,0,0,0,0|1,0,0]=4 29062 B12R0.5 C#CCNCCCCOCCOC 49245e605c2c7a7e36c2a0f9edbaf135 [0,3,0,0,0,0|1,0,0]=4 29063 B12R0.5 C#CCOCCCCCCCCC cc7480582143a99926ec59e3c77a08d6 [0,3,0,0,0,0|1,0,0]=4 29064 B12R0.5 C#CCOCCCOCCCCC 355afde574cd14542441c059a6d10f9e [0,3,0,0,0,0|0,0,0]=3 29065 B12R0.5 C#CCOCCCOCCCCF cbea5d36749048b1762520435aa55da6 [0,3,0,0,0,0|0,0,1]=4 29066 B12R0.5 C#CCOCCCOCCCOC a717422045bc7bbb95f30ae54e767356 [0,3,0,0,0,0|0,0,1]=4 29067 B12R0.5 C#CCOCCCOCCCSC c2889fb0b28852d93203c646839bbf85 [0,3,0,0,0,0|0,0,1]=4 29068 B12R0.5 C#CCOCCCOCCOCC 5fa09658b03ac90cefd80b6bace08a1c [0,3,0,0,0,0|0,0,1]=4 29069 B12R0.5 C#CCOCCCOCCSCC cc2170f5530861dbca8a94e59dbd5171 [0,3,0,0,0,0|0,0,1]=4 29070 B12R0.5 C#CCOCCNCOCCCC 6056a7f232e4e9a6ec076f32c65b7065 [0,3,0,0,0,0|0,0,1]=4 29071 B12R0.5 C#CCOCCOCCCCCC 912fa758ff666d98606893cce44250a0 [0,3,0,0,0,0|0,0,1]=4 29072 B12R0.5 C#CCOCCOCCCCCF 483e6546acbe8282e4547258f525a792 [0,3,0,0,0,0|0,0,1]=4 29073 B12R0.5 C#CCOCCOCCCCOC da889f24affbfdd17fbe654e813d1d7f [0,3,0,0,0,0|0,0,1]=4 29074 B12R0.5 C#CCOCCOCCCCSC 4c3cafdecb9258df8c6aeece79004546 [0,3,0,0,0,0|0,0,1]=4 29075 B12R0.5 C#CCOCCOCCCOCC f523c75d0ba4a3f2bc68ad641d03975a [0,3,0,0,0,0|0,0,1]=4 29076 B12R0.5 C#CCOCCOCCCSCC 5280f3a01963455ecb9b35c0dca41419 [0,3,0,0,0,0|0,0,1]=4 29077 B12R0.5 C#CCOCCOCCNCCC 8ccf37e0ca129bc741fac725384156ae [0,3,0,0,0,0|0,0,1]=4 29078 B12R0.5 C#CCOCCOCCOCCC 429aab8d87f6853a826f74e4f3889bd0 [0,3,0,0,0,0|0,0,1]=4 29079 B12R0.5 C#CCOCCOCCSCCC a11656431167fcc49dd54487e8b4f804 [0,3,0,0,0,0|0,0,1]=4 29080 B12R0.5 C#CCOCCOCOCCCC 9bd9848848a5ae7344effa0e51b98a28 [0,3,0,0,0,0|0,0,1]=4 29081 B12R0.5 C/C=C/CCCOC/C=C/CCC 39acedc454911b49c4cff43421522557 [0,3,0,0,0,0|0,0,1]=4 29082 B12R0.5 C/C=C/CCCOC/C=C\CCC 48f21bb82d08917ee3fb0acf081dc0cd [0,3,0,0,0,0|0,0,1]=4 29083 B12R0.5 C/C=C/CCCOCC/C=C\CC 7522599b4b16d657cbbe2088b07fbaac [0,3,0,0,0,0|0,0,1]=4 29084 B12R0.5 C/C=C/CCCOCCCCC#N 59fb8f97617161a3cec6c532f2b27400 [0,3,0,0,0,0|0,0,1]=4 29085 B12R0.5 C/C=C/CCCOCCCCC=O 0fe3d5d81ef33dffb2e7cea237bc782d [0,3,0,0,0,0|0,0,1]=4 29086 B12R0.5 C/C=C/CCCOCCCCCC 498e1c5b2ea3884e87b93ba83c83456e [0,3,0,0,0,0|0,0,0]=3 29087 B12R0.5 C/C=C/CCCOCCCCCF 825fd6b3bb0f39c00cb10f939bce68ad [0,3,0,0,0,0|0,0,0]=3 29088 B12R0.5 C/C=C/CCCOCCCCOC 4f1cb344e8232893f176071b29c0ae31 [0,3,0,0,0,0|0,0,0]=3 29089 B12R0.5 C/C=C/CCCOCCCOCC e6dfaac59af4750fc7eb2232135f56e6 [0,3,0,0,0,0|0,0,0]=3 29090 B12R0.5 C/C=C/CCCOCCCSCC e08ebc4dd11b9578f8075f6ce0d26eff [0,3,0,0,0,0|0,0,0]=3 29091 B12R0.5 C/C=C/CCCOCCOCCC 7629783a34b74d562d420016a5f2ae8e [0,3,0,0,0,0|0,0,0]=3 29092 B12R0.5 C/C=C/CCCOCCOCOC a060d1563b666f1cfb1bf92a8bf0f07e [0,3,0,0,0,0|0,0,1]=4 29093 B12R0.5 C/C=C/CCCOCOCCCC 3af11529154290d84c392965065fd2f3 [0,3,0,0,0,0|0,0,0]=3 29094 B12R0.5 C/C=C/CCCOCOCCOC c3c83aefd8a74c2ea422da9eca885bfe [0,3,0,0,0,0|0,0,1]=4 29095 B12R0.5 C/C=C/CCOC/C=C/CCCC f19ce2241783cd61f1069086d0cb179d [0,3,0,0,0,0|0,0,1]=4 29096 B12R0.5 C/C=C/CCOC/C=C\CCCC 334e20a50f4888362010254075174176 [0,3,0,0,0,0|0,0,1]=4 29097 B12R0.5 C/C=C/CCOCCCCCC#N 29153ed1f22113c1eed274f0f0314e50 [0,3,0,0,0,0|0,0,1]=4 29098 B12R0.5 C/C=C/CCOCCCCCC=O 62d753ab06e6ba0fc438379243531f58 [0,3,0,0,0,0|0,0,1]=4 29099 B12R0.5 C/C=C/CCOCCCCCCC 10991b3ad6fb5ed75a824d4f3ca0285c [0,3,0,0,0,0|0,0,1]=4 29100 B12R0.5 C/C=C/CCOCCCCCCF e7530c4768052d86bf23702dcb201bb6 [0,3,0,0,0,0|0,0,1]=4 29101 B12R0.5 C/C=C/CCOCCCCCOC 4c915fe589c0114b9fd4eb3ab04cbb74 [0,3,0,0,0,0|0,0,1]=4 29102 B12R0.5 C/C=C/CCOCCCOCCC a25e35a14fc2f36ff8871bba8714545e [0,3,0,0,0,0|0,0,1]=4 29103 B12R0.5 C/C=C/CCOCCOCCCC 48e674e07a5474366f78d7120f59fe40 [0,3,0,0,0,0|0,0,0]=3 29104 B12R0.5 C/C=C/CCOCCOCCOC 3e1ea57059adb335f1f780409b9c9b07 [0,3,0,0,0,0|0,0,1]=4 29105 B12R0.5 C/C=C/CNCCCCCCCC 426d49f9912e6049ca6373c269231bd7 [0,3,0,0,0,0|1,0,0]=4 29106 B12R0.5 C/C=C/CNCCCOCCCC f8022c99a5d9a5082ef7b83e08bb7d55 [0,3,0,0,0,0|0,0,0]=3 29107 B12R0.5 C/C=C/CNCCCOCCCO b00fe3a43b04daaff769433d631add1f [0,3,0,0,0,0|1,0,0]=4 29108 B12R0.5 C/C=C/CNCCCOCCOC 69b538932f7825a66fe4d97e7c05e384 [0,3,0,0,0,0|1,0,0]=4 29109 B12R0.5 C/C=C/CNCCCOCCSC 4d7b0c046306edb3d15f8098d0a977d7 [0,3,0,0,0,0|1,0,0]=4 29110 B12R0.5 C/C=C/CNCCOCCOCC 84fdbde60b67b0826348960e8f4183ea [0,3,0,0,0,0|0,0,1]=4 29111 B12R0.5 C/C=C/COCCCCCCCC fabd00cb24b85d43f9b6fb0984457835 [0,3,0,0,0,0|1,0,0]=4 29112 B12R0.5 C/C=C/COCCCOCCCC d614b8a5cd1f7a6df2bbcec0808094aa [0,3,0,0,0,0|0,0,0]=3 29113 B12R0.5 C/C=C/COCCCOCCOC 5243f074b785dcc6e4ca2b6fda6bd30d [0,3,0,0,0,0|1,0,0]=4 29114 B12R0.5 C/C=C/COCCOCCCCC daf2c731a9a34d254e229761bec570da [0,3,0,0,0,0|0,0,0]=3 29115 B12R0.5 C/C=C/COCCOCCOCC 0f3211a38960182045cb059f34f5bfd3 [0,3,0,0,0,0|0,0,1]=4 29116 B12R0.5 C/C=C\CCCNCCCCCC 391b38d4cb2b6d21b2e37560ccf0ee4a [0,3,0,0,0,0|1,0,0]=4 29117 B12R0.5 C/C=C\CCCNCCCCCCl f6b9aa28e8ee240c88b32e104653c97f [0,3,0,0,0,0|1,0,0]=4 29118 B12R0.5 C/C=C\CCCNCCCCCO 4e003aedfc329aa1b972da882aacc0d1 [0,3,0,0,0,0|1,0,0]=4 29119 B12R0.5 C/C=C\CCCNCCCCOC 7b15320e8c38ed3d38f44311ac99b7eb [0,3,0,0,0,0|1,0,0]=4 29120 B12R0.5 C/C=C\CCCNCCCCSC 69a8da459ea3efba394a27c0671d659d [0,3,0,0,0,0|1,0,0]=4 29121 B12R0.5 C/C=C\CCCNCCCOCC 2f364ed246ea5fec85fb179044a72b2f [0,3,0,0,0,0|1,0,0]=4 29122 B12R0.5 C/C=C\CCCNCCOCCC ae1abcc281afecc6146ac191354c1bc6 [0,3,0,0,0,0|1,0,0]=4 29123 B12R0.5 C/C=C\CCCOC/C=C/CCC fcb1a46baa0b55b7ab637de793facbb1 [0,3,0,0,0,0|0,0,1]=4 29124 B12R0.5 C/C=C\CCCOC/C=C\CCC 59111139c1797e29e9ca0dd00b4038b8 [0,3,0,0,0,0|0,0,1]=4 29125 B12R0.5 C/C=C\CCCOCC#CCCC 8cb85ddb4e0898e51db8180a2babc9a5 [0,3,0,0,0,0|0,0,1]=4 29126 B12R0.5 C/C=C\CCCOCC/C=C/CC f21e9b5cca4c249eee520d63ce7984f7 [0,3,0,0,0,0|0,0,1]=4 29127 B12R0.5 C/C=C\CCCOCC/C=C\CC 4edba88869144acf5b9faa6cdd35d1af [0,3,0,0,0,0|0,0,1]=4 29128 B12R0.5 C/C=C\CCCOCCC#CCC a5f50a96662a7579940a6272be860f53 [0,3,0,0,0,0|0,0,1]=4 29129 B12R0.5 C/C=C\CCCOCCC/C=C/C 70a79fb3b4acb451213b25652e04a430 [0,3,0,0,0,0|0,0,1]=4 29130 B12R0.5 C/C=C\CCCOCCC/C=C\C 3e5669fdaa39573e29b4a7aef0a1d21d [0,3,0,0,0,0|0,0,1]=4 29131 B12R0.5 C/C=C\CCCOCCCCC#N 59249b9bacf15f0311cc9fd8e999c062 [0,3,0,0,0,0|0,0,1]=4 29132 B12R0.5 C/C=C\CCCOCCCCC=O 9d7d0ea9e3558cf42cc82b6550d35655 [0,3,0,0,0,0|0,0,1]=4 29133 B12R0.5 C/C=C\CCCOCCCCCC 87314a0ded391d86ad960e2059c69107 [0,3,0,0,0,0|0,0,0]=3 29134 B12R0.5 C/C=C\CCCOCCCCCF bce78f71b0e45f5eee2a488749e9ec2e [0,3,0,0,0,0|0,0,0]=3 29135 B12R0.5 C/C=C\CCCOCCCCOC 2697ae86bd57cf7914d6aa401afe9e2f [0,3,0,0,0,0|0,0,0]=3 29136 B12R0.5 C/C=C\CCCOCCCCSC 9d48da1d90e67da73d4d8244a9a14003 [0,3,0,0,0,0|0,0,0]=3 29137 B12R0.5 C/C=C\CCCOCCCOCC 2b5a9f811bf6f78a5e0606c48a75956a [0,3,0,0,0,0|0,0,0]=3 29138 B12R0.5 C/C=C\CCCOCCCSCC 898a4afb28f779f0cc8f2f5b6e2f1c2c [0,3,0,0,0,0|0,0,0]=3 29139 B12R0.5 C/C=C\CCCOCCOCCC 2d0440500d16b646490e3fa589e1508c [0,3,0,0,0,0|0,0,0]=3 29140 B12R0.5 C/C=C\CCCOCCOCCF 8407a798880093c577f31f766c0aeef2 [0,3,0,0,0,0|0,0,1]=4 29141 B12R0.5 C/C=C\CCCOCCOCCS f5b8f3435b5cd84d19cc9b0c4550c05d [0,3,0,0,0,0|0,0,1]=4 29142 B12R0.5 C/C=C\CCCOCCOCOC 32ff8688438d4134554a681e79730bc9 [0,3,0,0,0,0|0,0,1]=4 29143 B12R0.5 C/C=C\CCCOCCSCCC 857a62f425620c89fab5af619353153c [0,3,0,0,0,0|0,0,0]=3 29144 B12R0.5 C/C=C\CCCOCOCCCC 0e41543d583c1d7e6a03815853afa78a [0,3,0,0,0,0|0,0,0]=3 29145 B12R0.5 C/C=C\CCCOCOCCOC 4f5d5d96c60bb93e1f85af53b46be5c3 [0,3,0,0,0,0|0,0,1]=4 29146 B12R0.5 C/C=C\CNCCCCCCCC 9ec2f81826659871948820ce3c5cf7c9 [0,3,0,0,0,0|1,0,0]=4 29147 B12R0.5 C/C=C\CNCCCOCCCC 90fc3ffe62a03e8559ce0917d12f1dc4 [0,3,0,0,0,0|0,0,0]=3 29148 B12R0.5 C/C=C\CNCCCOCCCO ecf46ce659e58988f0e6758c7b30ab38 [0,3,0,0,0,0|1,0,0]=4 29149 B12R0.5 C/C=C\CNCCCOCCOC 39ed5973916b7e6cf9b24d0a28a2b4af [0,3,0,0,0,0|1,0,0]=4 29150 B12R0.5 C/C=C\CNCCCOCCSC 1c329895882c4a3243abb191f15d6cbe [0,3,0,0,0,0|1,0,0]=4 29151 B12R0.5 C/C=C\CNCCOCCOCC 33c4c284991dcc1861e3f45111782ee9 [0,3,0,0,0,0|0,0,1]=4 29152 B12R0.5 C/C=C\COCCCCCCCC 723a4d88de9bc676517865990fa5f3c8 [0,3,0,0,0,0|1,0,0]=4 29153 B12R0.5 C/C=C\COCCCOCCCC 509479914ea979f24ccd76f8f7f8543f [0,3,0,0,0,0|0,0,0]=3 29154 B12R0.5 C/C=C\COCCCOCCOC 531da4006018c1084a2615a6f31a9416 [0,3,0,0,0,0|1,0,0]=4 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[0,3,0,0,0,0|1,0,0]=4 29167 B12R0.5 C=CCCCCCCOCCOC e11715fe960531f11a08845851c951c2 [0,3,0,0,0,0|1,0,0]=4 29168 B12R0.5 C=CCCCCCCOCCSC f04a65d7bbdd837da539f225e22e04f0 [0,3,0,0,0,0|1,0,0]=4 29169 B12R0.5 C=CCCCCCCOCOCC 8dcd0bb168d10c761853b4eab524cc29 [0,3,0,0,0,0|1,0,0]=4 29170 B12R0.5 C=CCCCCCNCCCCC 4ef31f007f0d7a96c468f1ee4c4331b9 [0,3,0,0,0,0|1,0,0]=4 29171 B12R0.5 C=CCCCCCNCCCCCl 54fd1b92dd29668aff67a06a897229e9 [0,3,0,0,0,0|1,0,0]=4 29172 B12R0.5 C=CCCCCCNCCCCF c437da2f8346955bd4e839340b9248cb [0,3,0,0,0,0|1,0,0]=4 29173 B12R0.5 C=CCCCCCNCCCCO 443c0a922815f639f1df459a5e1a1c5a [0,3,0,0,0,0|1,0,0]=4 29174 B12R0.5 C=CCCCCCNCCCCS e720a091ed8fdaa142e428565e9d3c1d [0,3,0,0,0,0|1,0,0]=4 29175 B12R0.5 C=CCCCCCNCCCOC 95fb03e0363e2b57acd9b47c61de8041 [0,3,0,0,0,0|1,0,0]=4 29176 B12R0.5 C=CCCCCCNCCCSC 6971e59c391e00dfdbfce40f9471bc3e [0,3,0,0,0,0|1,0,0]=4 29177 B12R0.5 C=CCCCCCNCCOCC d9159b97b47b1d4c5048cbaf4f9ba607 [0,3,0,0,0,0|1,0,0]=4 29178 B12R0.5 C=CCCCCCNCCSCC c8576d69887a82dec453473b83f73f03 [0,3,0,0,0,0|1,0,0]=4 29179 B12R0.5 C=CCCCCCOC/C=C/CC 36eb2d6486c4e53093e093248346f1f2 [0,3,0,0,0,0|0,0,1]=4 29180 B12R0.5 C=CCCCCCOC/C=C\CC 2340ca7a6c1109567cc61419fd3ca641 [0,3,0,0,0,0|0,0,1]=4 29181 B12R0.5 C=CCCCCCOCC#CCC 51379e45481b446e9929641c7b8d02ec [0,3,0,0,0,0|0,0,1]=4 29182 B12R0.5 C=CCCCCCOCC/C=C/C d10b67d49f409e5722f120b37cc4d0d8 [0,3,0,0,0,0|0,0,1]=4 29183 B12R0.5 C=CCCCCCOCCC#CC efc98ba35321b601f185c1bfcebae013 [0,3,0,0,0,0|0,0,1]=4 29184 B12R0.5 C=CCCCCCOCCCC#N 5a0150cb62e9216b6f2b0c2616aeed56 [0,3,0,0,0,0|0,0,1]=4 29185 B12R0.5 C=CCCCCCOCCCC=C 0fe9d737b92301af324c557575045444 [0,3,0,0,0,0|0,0,1]=4 29186 B12R0.5 C=CCCCCCOCCCC=O 8a6f9c60999c60c44b99667b9836dd80 [0,3,0,0,0,0|0,0,1]=4 29187 B12R0.5 C=CCCCCCOCCCCC eb92fcf26277bacb3e875413b4f6942b [0,3,0,0,0,0|0,0,0]=3 29188 B12R0.5 C=CCCCCCOCCCCF aa148538896a3d34a703c21dafb3e16e [0,3,0,0,0,0|0,0,0]=3 29189 B12R0.5 C=CCCCCCOCCCCS c3a0f41937e35551137dbc7b967f2d0e [0,3,0,0,0,0|0,0,0]=3 29190 B12R0.5 C=CCCCCCOCCCOC 6924ba8846d61c3df216f71325b3041e [0,3,0,0,0,0|0,0,0]=3 29191 B12R0.5 C=CCCCCCOCCCSC 074cc0c27f368ba24da23a896377ed4d [0,3,0,0,0,0|0,0,0]=3 29192 B12R0.5 C=CCCCCCOCCOCC 29382f46b36d03ce5ecd7875cd54bfd0 [0,3,0,0,0,0|0,0,0]=3 29193 B12R0.5 C=CCCCCCOCCSCC 0842773672acfa5af4667286b1274049 [0,3,0,0,0,0|0,0,0]=3 29194 B12R0.5 C=CCCCCNCCCCCC cea9f516cbdc1d2bf2496dee9ee9fb62 [0,3,0,0,0,0|1,0,0]=4 29195 B12R0.5 C=CCCCCNCCCCCCl bcabf16366831bd319b8f5fb1190b56a [0,3,0,0,0,0|1,0,0]=4 29196 B12R0.5 C=CCCCCNCCCCCF 849bc43dbd681f5d9b8dcb07ab94cd8d [0,3,0,0,0,0|1,0,0]=4 29197 B12R0.5 C=CCCCCNCCCCCO cc9782e33a2a6b5e1cc8fb59acb1e168 [0,3,0,0,0,0|1,0,0]=4 29198 B12R0.5 C=CCCCCNCCCCOC 075e70edf355bc146ddfdc5b453d3af6 [0,3,0,0,0,0|1,0,0]=4 29199 B12R0.5 C=CCCCCNCCCCSC fb12f3c34288cee10c97e81f5dac4c12 [0,3,0,0,0,0|1,0,0]=4 29200 B12R0.5 C=CCCCCNCCCOCC 9744680996def6d0e1958b2a3458c9eb [0,3,0,0,0,0|1,0,0]=4 29201 B12R0.5 C=CCCCCNCCCSCC cffc7e9010e39e3a237081716d4f26bb [0,3,0,0,0,0|1,0,0]=4 29202 B12R0.5 C=CCCCCNCCOCCC ae684b6deb9e7873cacb8f804b42ae02 [0,3,0,0,0,0|1,0,0]=4 29203 B12R0.5 C=CCCCCNCOCCCC 2b829deb278fea089549b10d4d709fa2 [0,3,0,0,0,0|0,0,0]=3 29204 B12R0.5 C=CCCCCNCOCCOC 64d404daebfed14b9ef4ff717588b5a3 [0,3,0,0,0,0|1,0,0]=4 29205 B12R0.5 C=CCCCCOC/C=C/CCC a41d7e8ec48026ef21cd3fe196a8e474 [0,3,0,0,0,0|0,0,1]=4 29206 B12R0.5 C=CCCCCOC/C=C\CCC a5fa973c13fe345061489fc46bef6505 [0,3,0,0,0,0|0,0,1]=4 29207 B12R0.5 C=CCCCCOCC#CCCC c9afe896cfaa81baa9427814d384c93a [0,3,0,0,0,0|0,0,1]=4 29208 B12R0.5 C=CCCCCOCC/C=C/CC 551d42c532d05f6fd57a1aba63d7d4a0 [0,3,0,0,0,0|0,0,1]=4 29209 B12R0.5 C=CCCCCOCC/C=C\CC 654e1c6f4cc22e97f3f2131134874fc7 [0,3,0,0,0,0|0,0,1]=4 29210 B12R0.5 C=CCCCCOCCC#CCC 0985dbbdea5ba72c2a47c8b7b24080bf [0,3,0,0,0,0|0,0,1]=4 29211 B12R0.5 C=CCCCCOCCC/C=C/C 8157c09254842f5d35c2ae1c7f8f10d3 [0,3,0,0,0,0|0,0,1]=4 29212 B12R0.5 C=CCCCCOCCC/C=C\C 4381acf5476daba52a7857dd563509a4 [0,3,0,0,0,0|0,0,1]=4 29213 B12R0.5 C=CCCCCOCCCC#CC 0c56df4f868974e91c64787a1656730d [0,3,0,0,0,0|0,0,1]=4 29214 B12R0.5 C=CCCCCOCCCC=CC b64fb847e5250f8b7ed50832984bb20b [0,3,0,0,0,0|0,0,1]=4 29215 B12R0.5 C=CCCCCOCCCCC#N e8e8212ccdf80a8b564450152cb3f907 [0,3,0,0,0,0|0,0,1]=4 29216 B12R0.5 C=CCCCCOCCCCC=C c09c54da881f76afc0bc2ce467edc545 [0,3,0,0,0,0|0,0,1]=4 29217 B12R0.5 C=CCCCCOCCCCC=O 4c99b506046f34ee36a599142c288ef0 [0,3,0,0,0,0|0,0,1]=4 29218 B12R0.5 C=CCCCCOCCCCCC d3db9a0e64866a71f8da5817860348b8 [0,3,0,0,0,0|0,0,0]=3 29219 B12R0.5 C=CCCCCOCCCCCF 6ec57ff1fbeb6d9513d6aa7b4aedcf3f [0,3,0,0,0,0|0,0,0]=3 29220 B12R0.5 C=CCCCCOCCCCOC bae616fad41449edc980167b69a509b1 [0,3,0,0,0,0|0,0,0]=3 29221 B12R0.5 C=CCCCCOCCCCSC 2f8f7b2aa5c57010cfb50be41454c977 [0,3,0,0,0,0|0,0,0]=3 29222 B12R0.5 C=CCCCCOCCCOCC b2457d40ea6506b1b12ae913a3e32f0e [0,3,0,0,0,0|0,0,0]=3 29223 B12R0.5 C=CCCCCOCCCSCC 8ae2c9b96c711d0a269a951b3d248a76 [0,3,0,0,0,0|0,0,0]=3 29224 B12R0.5 C=CCCCCOCCOCCC 28004242b826de452ec0deca8eb1bc08 [0,3,0,0,0,0|0,0,0]=3 29225 B12R0.5 C=CCCCCOCCOCCF ad59be4a913b07bd68f5326b5d7d9e72 [0,3,0,0,0,0|0,0,1]=4 29226 B12R0.5 C=CCCCCOCCOCCS b6bdce9302ce7cc23aba19f2144918c0 [0,3,0,0,0,0|0,0,1]=4 29227 B12R0.5 C=CCCCCOCCOCOC 544c0fce9457031d0745b958deb4d093 [0,3,0,0,0,0|0,0,1]=4 29228 B12R0.5 C=CCCCCOCCSCCC 1e0045877faf5b7eaa7b0b28cea4411c [0,3,0,0,0,0|0,0,0]=3 29229 B12R0.5 C=CCCCCOCOCCCC 9977a12935f0458b3b2cec44b0ac41e9 [0,3,0,0,0,0|0,0,0]=3 29230 B12R0.5 C=CCCCCOCOCCOC c0c49c0b7ea834d1df56feb3a36d4a6e [0,3,0,0,0,0|0,0,1]=4 29231 B12R0.5 C=CCCCNCCCCCCC ba0347d8a3f68d35cb1d6252f2bcbe12 [0,3,0,0,0,0|1,0,0]=4 29232 B12R0.5 C=CCCCNCCOCCCC e3c017aed05931524f835023d9ef461b [0,3,0,0,0,0|0,0,0]=3 29233 B12R0.5 C=CCCCNCCOCCCO 586f498259980b2ce915ef5998ac3995 [0,3,0,0,0,0|1,0,0]=4 29234 B12R0.5 C=CCCCNCCOCCOC 3ddacba565923cd9a713148caa9356ba [0,3,0,0,0,0|1,0,0]=4 29235 B12R0.5 C=CCCCOC/C=C/CCCC ce59b77ba71bab05050ba7697216b397 [0,3,0,0,0,0|0,0,1]=4 29236 B12R0.5 C=CCCCOC/C=C\CCCC 047146aa97640f5caae060751328e3be [0,3,0,0,0,0|0,0,1]=4 29237 B12R0.5 C=CCCCOCC#CCCCC ec4e83347e8fd2dd9fcfa46ba4021412 [0,3,0,0,0,0|0,0,1]=4 29238 B12R0.5 C=CCCCOCC/C=C\CCC a2691afa6da968f3e4402e0ca4d1a201 [0,3,0,0,0,0|0,0,1]=4 29239 B12R0.5 C=CCCCOCCC#CCCC e31e528f91443b2c3a4aa081fb9ea4ef [0,3,0,0,0,0|0,0,1]=4 29240 B12R0.5 C=CCCCOCCC/C=C\CC a446c31a10d0eb260a88e720de6d441d [0,3,0,0,0,0|0,0,1]=4 29241 B12R0.5 C=CCCCOCCCCCC#N 74c2eda40df4faa26167e34d848e95bf [0,3,0,0,0,0|0,0,1]=4 29242 B12R0.5 C=CCCCOCCCCCC=O 190e179b85ec0d97c60b2fe459377e29 [0,3,0,0,0,0|0,0,1]=4 29243 B12R0.5 C=CCCCOCCCCCCC 5f2eb6c578a53755b720aba9a976ebe4 [0,3,0,0,0,0|0,0,1]=4 29244 B12R0.5 C=CCCCOCCCCCCF b1ae62472c848f2e9811e75f6bbabe68 [0,3,0,0,0,0|0,0,1]=4 29245 B12R0.5 C=CCCCOCCCCCCS a1521df1e867663bea9c7e23569a4ce8 [0,3,0,0,0,0|0,0,1]=4 29246 B12R0.5 C=CCCCOCCCCCOC 827707fab0a5ec719bef3e4219500960 [0,3,0,0,0,0|0,0,1]=4 29247 B12R0.5 C=CCCCOCCCOCCC 954f1268f95b0d2a0f509a1c1e922aa7 [0,3,0,0,0,0|0,0,1]=4 29248 B12R0.5 C=CCCCOCCOCCCC dbdfbd1a147fb4ac660f7f423e245e6e [0,3,0,0,0,0|0,0,0]=3 29249 B12R0.5 C=CCCCOCCOCCOC d5fa055040e0d3e23f27074c8e0c7599 [0,3,0,0,0,0|0,0,1]=4 29250 B12R0.5 C=CCCCOCCSCCCC 5ee3ace96ccca8bb007e6ebe1b26a58b [0,3,0,0,0,0|0,0,1]=4 29251 B12R0.5 C=CCCNCCCCCCCC 68b6a0b3d3053682d58a47cd116e2f94 [0,3,0,0,0,0|1,0,0]=4 29252 B12R0.5 C=CCCNCCCOCCCC 65b659675c1f94f3b16c6a29b109f8e7 [0,3,0,0,0,0|0,0,0]=3 29253 B12R0.5 C=CCCNCCCOCCCO 5a559652619a70914365ed66fedfbe5a [0,3,0,0,0,0|1,0,0]=4 29254 B12R0.5 C=CCCNCCCOCCOC ddc6e268c1e40ea57d52f8408b6d2e6e [0,3,0,0,0,0|1,0,0]=4 29255 B12R0.5 C=CCCNCCCOCCSC c2bd54c149d59a02145194cb1e5e8b61 [0,3,0,0,0,0|1,0,0]=4 29256 B12R0.5 C=CCCNCCOCCOCC 8553841a5afd7e0bd9e9b9a265fa8790 [0,3,0,0,0,0|0,0,1]=4 29257 B12R0.5 C=CCCOCCCCCCCC c5e8962e82b583fe28413e59e2a47dc8 [0,3,0,0,0,0|1,0,0]=4 29258 B12R0.5 C=CCCOCCCOCCCC e44b31ff70084c7710674f2e9b388b93 [0,3,0,0,0,0|0,0,0]=3 29259 B12R0.5 C=CCCOCCCOCCOC 01cc1ec865c8b60e1d6e12c6de70555a [0,3,0,0,0,0|1,0,0]=4 29260 B12R0.5 C=CCCOCCOCCCCC 3f12e871c1e05a8de7d1d92480c837c5 [0,3,0,0,0,0|0,0,0]=3 29261 B12R0.5 C=CCCOCCOCCOCC c376bb645fcde313de19314b8d3c493f [0,3,0,0,0,0|0,0,1]=4 29262 B12R0.5 C=CCNCCCCCCCCC bd7bda25ff02d266cc6c0e96db5ddd6d [0,3,0,0,0,0|1,0,0]=4 29263 B12R0.5 C=CCNCCCCOCCOC d6e17d3df4df8f335d82a305f50ef606 [0,3,0,0,0,0|1,0,0]=4 29264 B12R0.5 C=CCOCCCCCCCCC 9639a5917445d95bfd35c88d4e5b5bae [0,3,0,0,0,0|1,0,0]=4 29265 B12R0.5 C=CCOCCCOCCCCC ca5cd61f0bbe2527e2ed2ecc7c86561b [0,3,0,0,0,0|0,0,0]=3 29266 B12R0.5 C=CCOCCCOCCCOC fcddcd7b971822c0b3a3d19e376dee4f [0,3,0,0,0,0|0,0,1]=4 29267 B12R0.5 C=CCOCCOCCCCCC d144b17868c26e6cedb61b87698ae89f [0,3,0,0,0,0|0,0,1]=4 29268 B12R0.5 C=CCOCCOCCCCCF c92fc3e0ee20c230152516f8eadef987 [0,3,0,0,0,0|0,0,1]=4 29269 B12R0.5 C=CCOCCOCCCCOC af5915c8deb81d5399285571efce1907 [0,3,0,0,0,0|0,0,1]=4 29270 B12R0.5 C=CCOCCOCCCCSC 8c7a95cac805b5e5e5bc1cdda9bdbad8 [0,3,0,0,0,0|0,0,1]=4 29271 B12R0.5 C=CCOCCOCCCOCC 88cfeaad62d0c423ee30651e4bd869c7 [0,3,0,0,0,0|0,0,1]=4 29272 B12R0.5 C=CCOCCOCCCSCC 5aac97ca83d697d8b1f4a15a7d139be1 [0,3,0,0,0,0|0,0,1]=4 29273 B12R0.5 C=CCOCCOCCOCCC a3d67f67277111e4ba801cf20c085b6f [0,3,0,0,0,0|0,0,1]=4 29274 B12R0.5 C=CCOCCOCCSCCC ce498a5bf7cd31b93fbe4656382d675d [0,3,0,0,0,0|0,0,1]=4 29275 B12R0.5 C=CCOCCOCOCCCC 4655acb9f5118f27f3df3dc5517343c3 [0,3,0,0,0,0|0,0,1]=4 29276 B12R0.5 C=COCCCCOCCCCC 605f9ff62c3bd3d56a0086c568f5ed4c [0,3,0,0,0,0|0,0,0]=3 29277 B12R0.5 C=COCCCCOCCCCF ad1eac15ff07ee76abded4f0c25a9a88 [0,3,0,0,0,0|0,0,1]=4 29278 B12R0.5 C=COCCCCOCCCOC b37db1a211042b882a884d3125954069 [0,3,0,0,0,0|0,0,1]=4 29279 B12R0.5 C=COCCCCOCCCSC d5a5586d74ffa2680b513d7a9b4f4c72 [0,3,0,0,0,0|0,0,1]=4 29280 B12R0.5 C=COCCCCOCCOCC bb5f1d38c51d6461b3cff8dc6ed3d48b [0,3,0,0,0,0|0,0,1]=4 29281 B12R0.5 C=COCCCCOCCSCC c9b9aea190f97e13905ef631cf98bfc5 [0,3,0,0,0,0|0,0,1]=4 29282 B12R0.5 C=COCCCNCOCCCC 4b279b69a1bd60af29857813acd761ae [0,3,0,0,0,0|0,0,1]=4 29283 B12R0.5 C=COCCNCCOCCCC 0fe52e3b6807fe8ca17f651129ac7fa9 [0,3,0,0,0,0|0,0,1]=4 29284 B12R0.5 C=COCCOCCOCCCC e8e18d15c71cdb3558c78fcbbd4641bc [0,3,0,0,0,0|0,0,1]=4 29285 B12R0.5 CC#CCCCNCCCCCO aedc845fff369dd1abd8831eb216f4ba [0,3,0,0,0,0|1,0,0]=4 29286 B12R0.5 CC#CCCCNCCCOCC 4e9923c85f18f33b3027cb287bbb83a3 [0,3,0,0,0,0|1,0,0]=4 29287 B12R0.5 CC#CCCCOC/C=C/CCC 8d96143fd1c1bcc188ec20d3ac8e216d [0,3,0,0,0,0|0,0,1]=4 29288 B12R0.5 CC#CCCCOC/C=C\CCC d3ef6cc00e26e4282af4e9b1883ae2e3 [0,3,0,0,0,0|0,0,1]=4 29289 B12R0.5 CC#CCCCOCC/C=C/CC 073331a9515ffb9e4296c0c7c1e6b7cd [0,3,0,0,0,0|0,0,1]=4 29290 B12R0.5 CC#CCCCOCC/C=C\CC c79d7c7bb78776299b7a1e8e4c44a5d8 [0,3,0,0,0,0|0,0,1]=4 29291 B12R0.5 CC#CCCCOCCC/C=C/C 2ee56dc2e8d42626eaf964072fb2a11b [0,3,0,0,0,0|0,0,1]=4 29292 B12R0.5 CC#CCCCOCCC/C=C\C c96f986ed4aa6bbb95e66872055d41fe [0,3,0,0,0,0|0,0,1]=4 29293 B12R0.5 CC#CCCCOCCCC#CC 08a9e2bec6308c15c6e6f3bc8ed4dc4b [0,3,0,0,0,0|0,0,1]=4 29294 B12R0.5 CC#CCCCOCCCC=CC 1f5710bb6ded891db70f2b59c9f58354 [0,3,0,0,0,0|0,0,1]=4 29295 B12R0.5 CC#CCCCOCCCCC#N bbadb0e0ebcd15e615368770f4a7d15e [0,3,0,0,0,0|0,0,1]=4 29296 B12R0.5 CC#CCCCOCCCCC=O 6602bd3efdd955cad35cf4e0a78f8978 [0,3,0,0,0,0|0,0,1]=4 29297 B12R0.5 CC#CCCCOCCCCCC 233e14f71a2989e7f5bf569ed321db51 [0,3,0,0,0,0|0,0,0]=3 29298 B12R0.5 CC#CCCCOCCCCCF 54e3c9b2b9ea82181d1b8bde52752a7d [0,3,0,0,0,0|0,0,0]=3 29299 B12R0.5 CC#CCCCOCCCCOC 367b5f92238c65589fdf3799d94569dc [0,3,0,0,0,0|0,0,0]=3 29300 B12R0.5 CC#CCCCOCCCCSC 8914c0098a9eedc44201420a82b36340 [0,3,0,0,0,0|0,0,0]=3 29301 B12R0.5 CC#CCCCOCCCOCC dbdbdaeff5f7572675b35eb4f7d83abc [0,3,0,0,0,0|0,0,0]=3 29302 B12R0.5 CC#CCCCOCCCSCC b12ba5efe92deae08df191999b289a94 [0,3,0,0,0,0|0,0,0]=3 29303 B12R0.5 CC#CCCCOCCOCCC 211174d05d2e421db2638cd8de811ce6 [0,3,0,0,0,0|0,0,0]=3 29304 B12R0.5 CC#CCCCOCCOCCF 96c295d75d06001efe2d6c85c44fb008 [0,3,0,0,0,0|0,0,1]=4 29305 B12R0.5 CC#CCCCOCCOCCS 39099891d91c4efbcea9302c7fedc565 [0,3,0,0,0,0|0,0,1]=4 29306 B12R0.5 CC#CCCCOCCOCOC 55faad24c491bb343fd199ff44ea505d [0,3,0,0,0,0|0,0,1]=4 29307 B12R0.5 CC#CCCCOCOCCCC 1559a30bde646c1e9fadafcf1b1a311d [0,3,0,0,0,0|0,0,0]=3 29308 B12R0.5 CC#CCCCOCOCCOC 16274be1bf4be04447804c989a18cd5e [0,3,0,0,0,0|0,0,1]=4 29309 B12R0.5 CC#CCCOC/C=C/CCCC e4bf178c536aeec9f7d192887c5876e5 [0,3,0,0,0,0|0,0,1]=4 29310 B12R0.5 CC#CCCOC/C=C\CCCC 40e35787ed8c884a9853b3cbbc54a2cd [0,3,0,0,0,0|0,0,1]=4 29311 B12R0.5 CC#CCCOCCCCCC#N 8b1ead698b9604bd4de5a6110ab0e366 [0,3,0,0,0,0|0,0,1]=4 29312 B12R0.5 CC#CCCOCCCCCC=O 641550603d78385ce773a60b7c3771ae [0,3,0,0,0,0|0,0,1]=4 29313 B12R0.5 CC#CCCOCCCCCCC 6d27dc34019e2b4d05b718aca7371e4e [0,3,0,0,0,0|0,0,1]=4 29314 B12R0.5 CC#CCCOCCCCCCF c7f13c0cd413c9ed1674fdbfed740ce1 [0,3,0,0,0,0|0,0,1]=4 29315 B12R0.5 CC#CCCOCCCCCOC 5b688bac600e9724c0092d155efe4388 [0,3,0,0,0,0|0,0,1]=4 29316 B12R0.5 CC#CCCOCCCOCCC 3e9186d87c78cec4206365d733847757 [0,3,0,0,0,0|0,0,1]=4 29317 B12R0.5 CC#CCCOCCOCCCC 42ef4eed711304eab415e9d4a40d139c [0,3,0,0,0,0|0,0,0]=3 29318 B12R0.5 CC#CCCOCCOCCOC 4021dc68b0a40338d7f6f7134ee76b50 [0,3,0,0,0,0|0,0,1]=4 29319 B12R0.5 CC#CCNCCCCCCCC b98069c6e2bab5eb6f903a7e2bf3e75e [0,3,0,0,0,0|1,0,0]=4 29320 B12R0.5 CC#CCNCCCOCCCC a01c9966bde73e176d97ae236ca8dfb5 [0,3,0,0,0,0|0,0,0]=3 29321 B12R0.5 CC#CCNCCCOCCCO f37f05c864765221b156555c15c08fab [0,3,0,0,0,0|1,0,0]=4 29322 B12R0.5 CC#CCNCCCOCCOC cdae1df3696efaf3ec3c7e07bea194d0 [0,3,0,0,0,0|1,0,0]=4 29323 B12R0.5 CC#CCNCCCOCCSC e6327d7a52c29515fad6510c0b336337 [0,3,0,0,0,0|1,0,0]=4 29324 B12R0.5 CC#CCNCCOCCOCC 94bf16780cb9996290ff9fcefc9a1aba [0,3,0,0,0,0|0,0,1]=4 29325 B12R0.5 CC#CCOCCCCCCCC 5c2449373e50264a8c05dc066ca36c53 [0,3,0,0,0,0|1,0,0]=4 29326 B12R0.5 CC#CCOCCCOCCCC 68dc7f4936aa045dc5b7d24aae7be4f5 [0,3,0,0,0,0|0,0,0]=3 29327 B12R0.5 CC#CCOCCCOCCOC 3bbdc98d8bf60dd9963cdb5cada0f61f [0,3,0,0,0,0|1,0,0]=4 29328 B12R0.5 CC#CCOCCOCCCCC 7e8b0d470dc9f72b930cc540d7dc365a [0,3,0,0,0,0|0,0,0]=3 29329 B12R0.5 CC#CCOCCOCCOCC 3a96eec6ce0cd3f2689294953e542e51 [0,3,0,0,0,0|0,0,1]=4 29330 B12R0.5 CC/C=C/CCOC/C=C/CCC d67c7f3b87407fd36e977a318d389688 [0,3,0,0,0,0|0,0,1]=4 29331 B12R0.5 CC/C=C/CCOC/C=C\CCC a61c1e38d81896dacbcd317dba7630a9 [0,3,0,0,0,0|0,0,1]=4 29332 B12R0.5 CC/C=C/CCOCCCCC#N 705eafe11f5645564edf1fe0642c3c30 [0,3,0,0,0,0|0,0,1]=4 29333 B12R0.5 CC/C=C/CCOCCCCC=O 6d55b6e6a4837cfb96478f243218bd95 [0,3,0,0,0,0|0,0,1]=4 29334 B12R0.5 CC/C=C/CCOCCCCCC 767871e5a0d73feb9eb5a7defcfb49c5 [0,3,0,0,0,0|0,0,0]=3 29335 B12R0.5 CC/C=C/CCOCCCCCF 2b55f02c10e3ccdd6df31b1e0ba6a449 [0,3,0,0,0,0|0,0,0]=3 29336 B12R0.5 CC/C=C/CCOCCCCOC e2b39f528317979cb9d1de9d5265ad73 [0,3,0,0,0,0|0,0,0]=3 29337 B12R0.5 CC/C=C/CCOCCCOCC f88549108281ede7d294c020241ed805 [0,3,0,0,0,0|0,0,0]=3 29338 B12R0.5 CC/C=C/CCOCCCSCC 9f663c630638119270f23bb956669f0a [0,3,0,0,0,0|0,0,0]=3 29339 B12R0.5 CC/C=C/CCOCCOCCC a81f621c6a03f8cc18201edd475fc6b6 [0,3,0,0,0,0|0,0,0]=3 29340 B12R0.5 CC/C=C/CCOCCOCOC 50110fbba6b3b1fd4ca474b0939bcbd6 [0,3,0,0,0,0|0,0,1]=4 29341 B12R0.5 CC/C=C/CCOCOCCCC 6b5b004f900b0398d730b899d2d1e560 [0,3,0,0,0,0|0,0,0]=3 29342 B12R0.5 CC/C=C/CCOCOCCOC f0129d7da362787e2bb4414a41d74f58 [0,3,0,0,0,0|0,0,1]=4 29343 B12R0.5 CC/C=C/CNCCCCCCC be4c202248a8fd68380accb39cdc09e3 [0,3,0,0,0,0|1,0,0]=4 29344 B12R0.5 CC/C=C/CNCCOCCCC 459e30c647913e87db7342aa54566942 [0,3,0,0,0,0|0,0,0]=3 29345 B12R0.5 CC/C=C/CNCCOCCCO 6cab7b08fa75d0deaad9dfc01fa6b605 [0,3,0,0,0,0|1,0,0]=4 29346 B12R0.5 CC/C=C/CNCCOCCOC 3a09987fd803c6b6f6c7e1b1e2c04fca [0,3,0,0,0,0|1,0,0]=4 29347 B12R0.5 CC/C=C/COC/C=C/CCCC a7acfb6006ebfc3023bfbb3c89eb8a68 [0,3,0,0,0,0|0,0,1]=4 29348 B12R0.5 CC/C=C/COC/C=C\CCCC c13bca40ea80af75a486721eb6a6d465 [0,3,0,0,0,0|0,0,1]=4 29349 B12R0.5 CC/C=C/COCC#CCCCC 5dc7e17f46758bb7ad22d2b6f92bd41d [0,3,0,0,0,0|0,0,1]=4 29350 B12R0.5 CC/C=C/COCC/C=C\CCC 4961bb78ba2ec0f2dfca6156530a80a7 [0,3,0,0,0,0|0,0,1]=4 29351 B12R0.5 CC/C=C/COCCC#CCCC b12be223cc2e0b2816fa72bcbb989b46 [0,3,0,0,0,0|0,0,1]=4 29352 B12R0.5 CC/C=C/COCCCCCC#N 61224437e5e22dae9de28b53374499a3 [0,3,0,0,0,0|0,0,1]=4 29353 B12R0.5 CC/C=C/COCCCCCC=O 7fe073b8e803473df7ad7296b7dffdf5 [0,3,0,0,0,0|0,0,1]=4 29354 B12R0.5 CC/C=C/COCCCCCCC fac406ad60d77dca9871164b96925a1f [0,3,0,0,0,0|0,0,1]=4 29355 B12R0.5 CC/C=C/COCCCCCCF 7ce4ba674dec9c859e8223ebf414b908 [0,3,0,0,0,0|0,0,1]=4 29356 B12R0.5 CC/C=C/COCCCCCCS fed185229296b43027348f8379699cb5 [0,3,0,0,0,0|0,0,1]=4 29357 B12R0.5 CC/C=C/COCCCCCOC 9d8f0c980a1de9cdd8d3710b6ffd83c6 [0,3,0,0,0,0|0,0,1]=4 29358 B12R0.5 CC/C=C/COCCCOCCC 85da2ac6041f464410230236c9c59343 [0,3,0,0,0,0|0,0,1]=4 29359 B12R0.5 CC/C=C/COCCOCCCC a30c8683d731f6932c452cd44e389592 [0,3,0,0,0,0|0,0,0]=3 29360 B12R0.5 CC/C=C/COCCOCCOC 615a9a63f3c8af65c26bd0173689b520 [0,3,0,0,0,0|0,0,1]=4 29361 B12R0.5 CC/C=C/COCCSCCCC aec64f917c3429cbf1a193f1d5cc13aa [0,3,0,0,0,0|0,0,1]=4 29362 B12R0.5 CC/C=C\CCCCCNCCC 69886208ccc481e644ef483e2c35e2e7 [0,3,0,0,0,0|1,0,0]=4 29363 B12R0.5 CC/C=C\CCCCCOCCC c88ae5976e237754dce5795d50b5c6fe [0,3,0,0,0,0|1,0,0]=4 29364 B12R0.5 CC/C=C\CCCCOCCCC ae170e71a50bb653be2dba2606dad3f4 [0,3,0,0,0,0|0,0,0]=3 29365 B12R0.5 CC/C=C\CCCCOCCCF 4d330ab861b6af2483c52bf0bcaa5069 [0,3,0,0,0,0|1,0,0]=4 29366 B12R0.5 CC/C=C\CCCCOCCCS c2a1bcf54749b9359c31dd3cc6c81cb3 [0,3,0,0,0,0|1,0,0]=4 29367 B12R0.5 CC/C=C\CCCCOCCOC 176bab47df541131235f1983146c69c1 [0,3,0,0,0,0|1,0,0]=4 29368 B12R0.5 CC/C=C\CCCCOCCSC 3688e500590a0e5a2f793fd0964ddfc3 [0,3,0,0,0,0|1,0,0]=4 29369 B12R0.5 CC/C=C\CCCCOCOCC bf4cdef865c39018cbe95b62280b8462 [0,3,0,0,0,0|1,0,0]=4 29370 B12R0.5 CC/C=C\CCCOC/C=C/CC b529e2dd56f690f596478705615e3e4f [0,3,0,0,0,0|0,0,1]=4 29371 B12R0.5 CC/C=C\CCCOCCCC#N c4ac4d201af9a4ed29eb171445bc6fce [0,3,0,0,0,0|0,0,1]=4 29372 B12R0.5 CC/C=C\CCCOCCCC=O 84ea29ee5aec2d3656d76a89bcc66119 [0,3,0,0,0,0|0,0,1]=4 29373 B12R0.5 CC/C=C\CCCOCCCCC 01c9d8c10a56d308f7978a9ae4df2b5d [0,3,0,0,0,0|0,0,0]=3 29374 B12R0.5 CC/C=C\CCCOCCCCF 28106d9dd37e300748526607af9481f3 [0,3,0,0,0,0|0,0,0]=3 29375 B12R0.5 CC/C=C\CCCOCCCOC 3dfdd39afd911221cb1f661beb344af6 [0,3,0,0,0,0|0,0,0]=3 29376 B12R0.5 CC/C=C\CCCOCCCSC f3cbb40004a47fa1dba403280596ca24 [0,3,0,0,0,0|0,0,0]=3 29377 B12R0.5 CC/C=C\CCCOCCOCC 7e46d22f40d432ce293fce7dd3803f86 [0,3,0,0,0,0|0,0,0]=3 29378 B12R0.5 CC/C=C\CCCOCCSCC 1409eb88e96ebc6f36f4f586f2585649 [0,3,0,0,0,0|0,0,0]=3 29379 B12R0.5 CC/C=C\CCNCCCCCC 49ae72512f311144c2d980bdb59c6aba [0,3,0,0,0,0|1,0,0]=4 29380 B12R0.5 CC/C=C\CCNCCCCCCl 10a0887d17f4423b14b1246554deb482 [0,3,0,0,0,0|1,0,0]=4 29381 B12R0.5 CC/C=C\CCNCCCCCO 5731462f1999a95940d06a77bb9768d7 [0,3,0,0,0,0|1,0,0]=4 29382 B12R0.5 CC/C=C\CCNCCCCOC 77e7588b297370fdf6763b0e1f0b0a94 [0,3,0,0,0,0|1,0,0]=4 29383 B12R0.5 CC/C=C\CCNCCCCSC 1471075d3dd66e6e7d887af54b06ecd5 [0,3,0,0,0,0|1,0,0]=4 29384 B12R0.5 CC/C=C\CCNCCCOCC d4b3fd087d0b1976d28b3ba47caf56aa [0,3,0,0,0,0|1,0,0]=4 29385 B12R0.5 CC/C=C\CCNCCOCCC 6a862fc6d3da86fb243f88c383698c3e [0,3,0,0,0,0|1,0,0]=4 29386 B12R0.5 CC/C=C\CCOC/C=C/CCC f7a4639dad325c3eda76c3941e3ae7b8 [0,3,0,0,0,0|0,0,1]=4 29387 B12R0.5 CC/C=C\CCOC/C=C\CCC fa68dc1e81964ea2119607ae5e8fb79b [0,3,0,0,0,0|0,0,1]=4 29388 B12R0.5 CC/C=C\CCOCC#CCCC edd6ccba394c986cf815bb5b907b47b4 [0,3,0,0,0,0|0,0,1]=4 29389 B12R0.5 CC/C=C\CCOCC/C=C/CC 54389520b8c97ae61cc1fdffd37ad3ab [0,3,0,0,0,0|0,0,1]=4 29390 B12R0.5 CC/C=C\CCOCC/C=C\CC f39996f7261eda408b1814cb9b7c4754 [0,3,0,0,0,0|0,0,1]=4 29391 B12R0.5 CC/C=C\CCOCCCCC#N 3f837ec2be81ca026659778c5ae7f5f6 [0,3,0,0,0,0|0,0,1]=4 29392 B12R0.5 CC/C=C\CCOCCCCC=O 0f8dc160371f8f38e3ede5953a911f59 [0,3,0,0,0,0|0,0,1]=4 29393 B12R0.5 CC/C=C\CCOCCCCCC 117d4e26b4f19482ce885b8297aa45c2 [0,3,0,0,0,0|0,0,0]=3 29394 B12R0.5 CC/C=C\CCOCCCCCF 6fb45212300edcfa96669f4cc7373ec4 [0,3,0,0,0,0|0,0,0]=3 29395 B12R0.5 CC/C=C\CCOCCCCOC c0830f32361612f79a3ed408b3777eb6 [0,3,0,0,0,0|0,0,0]=3 29396 B12R0.5 CC/C=C\CCOCCCCSC a7f64699d7d5aa3195d03046c1e80d72 [0,3,0,0,0,0|0,0,0]=3 29397 B12R0.5 CC/C=C\CCOCCCOCC 4cb33ce7cc497b4d194188c410a4af4c [0,3,0,0,0,0|0,0,0]=3 29398 B12R0.5 CC/C=C\CCOCCCSCC d4fb26b0a1456cfe595b746c9209588c [0,3,0,0,0,0|0,0,0]=3 29399 B12R0.5 CC/C=C\CCOCCOCCC e53279d20d935c326473fc6d43f9d271 [0,3,0,0,0,0|0,0,0]=3 29400 B12R0.5 CC/C=C\CCOCCOCCF 869e78e6277ef47b06c045f872dcd00c [0,3,0,0,0,0|0,0,1]=4 29401 B12R0.5 CC/C=C\CCOCCOCCS 611be20d884f1a2a4b77b8b10628c8b1 [0,3,0,0,0,0|0,0,1]=4 29402 B12R0.5 CC/C=C\CCOCCOCOC 661959662d727d8eb0049dbc8295281d [0,3,0,0,0,0|0,0,1]=4 29403 B12R0.5 CC/C=C\CCOCCSCCC af7d2080691879c7475b87b6afa74a33 [0,3,0,0,0,0|0,0,0]=3 29404 B12R0.5 CC/C=C\CCOCOCCCC 3772ac33b56db56b03077b82a4b58248 [0,3,0,0,0,0|0,0,0]=3 29405 B12R0.5 CC/C=C\CCOCOCCOC c02b95e2ca5fdc8141ad8cef5fd34f55 [0,3,0,0,0,0|0,0,1]=4 29406 B12R0.5 CC/C=C\COC/C=C/CCCC 71dda5b683d0769383141267e6d165b0 [0,3,0,0,0,0|0,0,1]=4 29407 B12R0.5 CC/C=C\COC/C=C\CCCC e9eb74215b54f1b9d166de713ede0398 [0,3,0,0,0,0|0,0,1]=4 29408 B12R0.5 CC/C=C\COCCCCCC#N 487788383a9a6603ceef52bf34b4b139 [0,3,0,0,0,0|0,0,1]=4 29409 B12R0.5 CC/C=C\COCCCCCC=O 4c7b25cdbd5f1b25be49bd2c2f8e4ffe [0,3,0,0,0,0|0,0,1]=4 29410 B12R0.5 CC/C=C\COCCCCCCC 77fa88fde0cce04fe5442e2aa45989e5 [0,3,0,0,0,0|0,0,1]=4 29411 B12R0.5 CC/C=C\COCCCCCCF 17b221ff13a4e30ab288c45536a65f71 [0,3,0,0,0,0|0,0,1]=4 29412 B12R0.5 CC/C=C\COCCCCCOC 38e9bf0627a08f1dd4c499539ac92400 [0,3,0,0,0,0|0,0,1]=4 29413 B12R0.5 CC/C=C\COCCCOCCC 0f910c358d5675725b3665254e730de1 [0,3,0,0,0,0|0,0,1]=4 29414 B12R0.5 CC/C=C\COCCOCCCC d9e6d565fa0e364a43a769ddb105b116 [0,3,0,0,0,0|0,0,0]=3 29415 B12R0.5 CC/C=C\COCCOCCOC 6547d8be39421a1d07210cda1b00709b [0,3,0,0,0,0|0,0,1]=4 29416 B12R0.5 CC=C=CCCOCCCCCC 71c7f17a03fe38986e22e4e69f9a3d53 [0,3,0,0,0,0|0,0,1]=4 29417 B12R0.5 CC=C=CCCOCCCCCF 4980d815bad9244abc3e439d396dd754 [0,3,0,0,0,0|0,0,1]=4 29418 B12R0.5 CC=C=CCCOCCCCOC 5df11ea48ccc356c7d0b51bd09b971ac [0,3,0,0,0,0|0,0,1]=4 29419 B12R0.5 CC=C=CCCOCCCOCC 74cf6d103f38f3a8113be049c6ddf9c4 [0,3,0,0,0,0|0,0,1]=4 29420 B12R0.5 CC=C=CCCOCCCSCC b111020e641c064f70e6abac290b3df4 [0,3,0,0,0,0|0,0,1]=4 29421 B12R0.5 CC=C=CCCOCCOCCC 182aa5880648f0470b4cefb7c047b0e9 [0,3,0,0,0,0|0,0,1]=4 29422 B12R0.5 CC=C=CCCOCOCCCC 1a6f14170d1d617966b026dff3f46639 [0,3,0,0,0,0|0,0,1]=4 29423 B12R0.5 CC=CC#CCCOCCCCC b06cd0f498d1bab83e172613af8d6af7 [0,3,0,0,0,0|0,0,1]=4 29424 B12R0.5 CC=CCCCOC/C=C/CCC 0510744b3797e7cccf09549f2304f75a [0,3,0,0,0,0|0,0,1]=4 29425 B12R0.5 CC=CCCCOC/C=C\CCC 6df7c455d481c3c01cbc6d9cdc78f3c7 [0,3,0,0,0,0|0,0,1]=4 29426 B12R0.5 CC=CCCCOCC/C=C\CC 8a9ded81b3b0bb8697c200a61a20c1f5 [0,3,0,0,0,0|0,0,1]=4 29427 B12R0.5 CC=CCCCOCCC/C=C\C 5111701422fc2b0f3ab5f33a377124a0 [0,3,0,0,0,0|0,0,1]=4 29428 B12R0.5 CC=CCCCOCCCCC#N 8a9049203907c5d2bb3ad3af996a8f1b [0,3,0,0,0,0|0,0,1]=4 29429 B12R0.5 CC=CCCCOCCCCC=O 54014bbd72895389203d0e38da758183 [0,3,0,0,0,0|0,0,1]=4 29430 B12R0.5 CC=CCCCOCCCCCC d68fb7387a0c3991f6a2343f2b5dbc29 [0,3,0,0,0,0|0,0,0]=3 29431 B12R0.5 CC=CCCCOCCCCCF b61a57ae62b5b2e7634b79eb5d4dd64c [0,3,0,0,0,0|0,0,0]=3 29432 B12R0.5 CC=CCCCOCCCCOC 67dde6d31dd2f85fd62475d3c67d1d56 [0,3,0,0,0,0|0,0,0]=3 29433 B12R0.5 CC=CCCCOCCCOCC 549db05d51a46e387f8303bfe406f375 [0,3,0,0,0,0|0,0,0]=3 29434 B12R0.5 CC=CCCCOCCCSCC 97366713ebd93291df4aa4fa0fdcc8ae [0,3,0,0,0,0|0,0,0]=3 29435 B12R0.5 CC=CCCCOCCOCCC ed3e216af6d2de8468192775beecfbd7 [0,3,0,0,0,0|0,0,0]=3 29436 B12R0.5 CC=CCCCOCCOCOC 83a3f5eb8f3313f42001ba336c53c1e2 [0,3,0,0,0,0|0,0,1]=4 29437 B12R0.5 CC=CCCCOCOCCCC 8574ee640e594df4eb64c9431756cbc1 [0,3,0,0,0,0|0,0,0]=3 29438 B12R0.5 CC=CCCCOCOCCOC fee0abf0f539869aaee81f90748ca27d [0,3,0,0,0,0|0,0,1]=4 29439 B12R0.5 CC=CCNCCCCCCCC 015266ac227befe5f058816616cf0809 [0,3,0,0,0,0|1,0,0]=4 29440 B12R0.5 CC=CCNCCCOCCCO 62d0395bde58541d6370b518f9eeaf84 [0,3,0,0,0,0|1,0,0]=4 29441 B12R0.5 CC=CCNCCCOCCOC ff67cd490dfc2439381af590be16a232 [0,3,0,0,0,0|1,0,0]=4 29442 B12R0.5 CC=CCNCCOCCOCC d04adee7f25dde67d07d98f11d299961 [0,3,0,0,0,0|0,0,1]=4 29443 B12R0.5 CC=CCOCCCCCCCC 2aa23d7d5fc0a5236c3788ee62f0fa8b [0,3,0,0,0,0|1,0,0]=4 29444 B12R0.5 CC=CCOCCCOCCOC cb6dfc8debc51e184f7d95a5a8cf8e21 [0,3,0,0,0,0|1,0,0]=4 29445 B12R0.5 CC=CCOCCOCCOCC d87a1cd2c14fc80bcaa255434778f2e0 [0,3,0,0,0,0|0,0,1]=4 29446 B12R0.5 CCC#CCCOC/C=C/CCC d11958b855046d1f5395e65e74453824 [0,3,0,0,0,0|0,0,1]=4 29447 B12R0.5 CCC#CCCOC/C=C\CCC fb4d13621146fa0834783062cb4d07ea [0,3,0,0,0,0|0,0,1]=4 29448 B12R0.5 CCC#CCCOCC/C=C\CC a2ac2f513364197068cfd2df4b0060d4 [0,3,0,0,0,0|0,0,1]=4 29449 B12R0.5 CCC#CCCOCCCCC#N 0f5fe2436d50a4e181db87effe109c1c [0,3,0,0,0,0|0,0,1]=4 29450 B12R0.5 CCC#CCCOCCCCC=O a04daccd3d6442ea510a1f4a6702bb0d [0,3,0,0,0,0|0,0,1]=4 29451 B12R0.5 CCC#CCCOCCCCCC fe7a01855cbf70fb1648ad6b083a772d [0,3,0,0,0,0|0,0,0]=3 29452 B12R0.5 CCC#CCCOCCCCCF 3ec724b768c375391585c096905d635a [0,3,0,0,0,0|0,0,0]=3 29453 B12R0.5 CCC#CCCOCCCCOC 2f7cd87c04ccfc501e303f3208d7630f [0,3,0,0,0,0|0,0,0]=3 29454 B12R0.5 CCC#CCCOCCCOCC 15e5d1c7bc7f57e16e1f31db57d80c27 [0,3,0,0,0,0|0,0,0]=3 29455 B12R0.5 CCC#CCCOCCCSCC 4f2102a191591d0fdb165d4fd8d031ab [0,3,0,0,0,0|0,0,0]=3 29456 B12R0.5 CCC#CCCOCCOCCC 0fb5c247fcb17dd01eb4cab45908be8b [0,3,0,0,0,0|0,0,0]=3 29457 B12R0.5 CCC#CCCOCCOCOC eda28c612e10f5bd566aed016edbf408 [0,3,0,0,0,0|0,0,1]=4 29458 B12R0.5 CCC#CCCOCOCCCC 9618c7a208ea8ede59aaefe4e8114d44 [0,3,0,0,0,0|0,0,0]=3 29459 B12R0.5 CCC#CCCOCOCCOC 39c43aa68e98203907d7dd0a900cd6e5 [0,3,0,0,0,0|0,0,1]=4 29460 B12R0.5 CCC#CCNCCCCCCC 8bf4db45a882a23d873b0d95f08cf05c [0,3,0,0,0,0|1,0,0]=4 29461 B12R0.5 CCC#CCNCCOCCCC 0f7745e6c0b5b36259453a6728674c65 [0,3,0,0,0,0|0,0,0]=3 29462 B12R0.5 CCC#CCNCCOCCCO 7cf616f023861db219961241588db5d1 [0,3,0,0,0,0|1,0,0]=4 29463 B12R0.5 CCC#CCNCCOCCOC 3ba5055b670c71d8c6a647e64f7f4e86 [0,3,0,0,0,0|1,0,0]=4 29464 B12R0.5 CCC#CCOC/C=C/CCCC 17830fca1d9992bb41ae059d1824882b [0,3,0,0,0,0|0,0,1]=4 29465 B12R0.5 CCC#CCOC/C=C\CCCC 932e1de6e188cfea3c9ab41cbe98af00 [0,3,0,0,0,0|0,0,1]=4 29466 B12R0.5 CCC#CCOCC/C=C\CCC dcc948996c0e85b3a7dcaf9085b1fbc3 [0,3,0,0,0,0|0,0,1]=4 29467 B12R0.5 CCC#CCOCCC#CCCC d00c9f10a65ebd6a028e00a9a4aa88d4 [0,3,0,0,0,0|0,0,1]=4 29468 B12R0.5 CCC#CCOCCC/C=C\CC 7873f14ddc5170d94f8cf0c3275e72fa [0,3,0,0,0,0|0,0,1]=4 29469 B12R0.5 CCC#CCOCCCCCC#N 76e162831e59e5e0f66a681fb6b065b5 [0,3,0,0,0,0|0,0,1]=4 29470 B12R0.5 CCC#CCOCCCCCC=O f5f746690b3c06f0ce20a8c05d99bd44 [0,3,0,0,0,0|0,0,1]=4 29471 B12R0.5 CCC#CCOCCCCCCC 8837e9ebed62468194dad3de7efe8e23 [0,3,0,0,0,0|0,0,1]=4 29472 B12R0.5 CCC#CCOCCCCCCF 6d79238c43856b6490c73173bb89c4a7 [0,3,0,0,0,0|0,0,1]=4 29473 B12R0.5 CCC#CCOCCCCCCS af1008f3b2a5cb0aa5881f39f240777a [0,3,0,0,0,0|0,0,1]=4 29474 B12R0.5 CCC#CCOCCCCCOC c5c553cd1ca78b97364d718c7197a1d8 [0,3,0,0,0,0|0,0,1]=4 29475 B12R0.5 CCC#CCOCCCOCCC 8fbd663524e33d0af3fe8c48376d4ff6 [0,3,0,0,0,0|0,0,1]=4 29476 B12R0.5 CCC#CCOCCOCCCC 8597f22c0a3ab14f8542b9c6c67ad6d8 [0,3,0,0,0,0|0,0,0]=3 29477 B12R0.5 CCC#CCOCCOCCOC 168ec9ef09fb2e7365ae30fa1e62497f [0,3,0,0,0,0|0,0,1]=4 29478 B12R0.5 CCC#CCOCCSCCCC a6fe1f0d841b96f12388101a53f16284 [0,3,0,0,0,0|0,0,1]=4 29479 B12R0.5 CCC/C=C/C=C/COCCCC 383183f12d3781ad5256d19e67f35cad [0,3,0,0,0,0|0,0,1]=4 29480 B12R0.5 CCC/C=C/CCCOCCCC d05acb292bb84d287eb30879ca488d91 [0,3,0,0,0,0|0,0,0]=3 29481 B12R0.5 CCC/C=C/CCCOCCCF 6cfa86613f792fa95348f6f19a55d5b9 [0,3,0,0,0,0|1,0,0]=4 29482 B12R0.5 CCC/C=C/CCCOCCCS 6541c897f2c6f261becc48ac2011a93c [0,3,0,0,0,0|1,0,0]=4 29483 B12R0.5 CCC/C=C/CCCOCCOC f37ab6750fac2aa735876472190ba3b6 [0,3,0,0,0,0|1,0,0]=4 29484 B12R0.5 CCC/C=C/CCCOCCSC 1d33e2a3ef4517df25ae83c63b0f0f96 [0,3,0,0,0,0|1,0,0]=4 29485 B12R0.5 CCC/C=C/CCCOCOCC c5dd559967e05f68f59ae2d9af95a8a7 [0,3,0,0,0,0|1,0,0]=4 29486 B12R0.5 CCC/C=C/CNCCCCCC b6c96c21ede246b1f0c45cf7cd26d0c9 [0,3,0,0,0,0|1,0,0]=4 29487 B12R0.5 CCC/C=C/CNCCCCCCl e3dab996f6c76334915a0a8964e9f1f8 [0,3,0,0,0,0|1,0,0]=4 29488 B12R0.5 CCC/C=C/CNCCCCCO 0511321e85213027ae506d7ee8b63c1f [0,3,0,0,0,0|1,0,0]=4 29489 B12R0.5 CCC/C=C/CNCCCCOC 36788a1d178049fe5aa3285b7a42b989 [0,3,0,0,0,0|1,0,0]=4 29490 B12R0.5 CCC/C=C/CNCCCCSC ef0026a71ecdb7a63893bf0b55affc38 [0,3,0,0,0,0|1,0,0]=4 29491 B12R0.5 CCC/C=C/CNCCCOCC 6704db5c459be2f76de7849a545d54d2 [0,3,0,0,0,0|1,0,0]=4 29492 B12R0.5 CCC/C=C/CNCCOCCC 7533d47e4ce5f5dd6d5e71078d06d99b [0,3,0,0,0,0|1,0,0]=4 29493 B12R0.5 CCC/C=C/COC/C=C/CCC 3402a75617231b0531f3689e02e88893 [0,3,0,0,0,0|0,0,1]=4 29494 B12R0.5 CCC/C=C/COCCCCC#N 1f3fd62c09afcfcf9dd12bbe520eec8d [0,3,0,0,0,0|0,0,1]=4 29495 B12R0.5 CCC/C=C/COCCCCC=O 175980462845d74433ac2d4504e2a46d [0,3,0,0,0,0|0,0,1]=4 29496 B12R0.5 CCC/C=C/COCCCCCC d65714be31a95b499f2e00ccb97fe4f0 [0,3,0,0,0,0|0,0,0]=3 29497 B12R0.5 CCC/C=C/COCCCCCF 304946bedf09648165b5a3747896f9d8 [0,3,0,0,0,0|0,0,0]=3 29498 B12R0.5 CCC/C=C/COCCCCOC c9dbc8a722daa18a2aea7bdd93a29767 [0,3,0,0,0,0|0,0,0]=3 29499 B12R0.5 CCC/C=C/COCCCCSC 1c940e7f777d6c4a7227f97bb212d09d [0,3,0,0,0,0|0,0,0]=3 29500 B12R0.5 CCC/C=C/COCCCOCC a4002d798c3e4022e5d5e96cf0cd2bc6 [0,3,0,0,0,0|0,0,0]=3 29501 B12R0.5 CCC/C=C/COCCCSCC a0d5aa731cd96ba2c885aa4125c0c3c7 [0,3,0,0,0,0|0,0,0]=3 29502 B12R0.5 CCC/C=C/COCCOCCC 8bd9eb1f2bc17f63257411dab5850810 [0,3,0,0,0,0|0,0,0]=3 29503 B12R0.5 CCC/C=C/COCCOCCF ba675da0a00cdb1928a8b190c9618db7 [0,3,0,0,0,0|0,0,1]=4 29504 B12R0.5 CCC/C=C/COCCOCCS fb288b5522ff7a616c66e36b5dd5e4d4 [0,3,0,0,0,0|0,0,1]=4 29505 B12R0.5 CCC/C=C/COCCOCOC 1f06436900790e3b68bb9feca61d6c2a [0,3,0,0,0,0|0,0,1]=4 29506 B12R0.5 CCC/C=C/COCCSCCC be2341504592f183274e8a5fb3e19bab [0,3,0,0,0,0|0,0,0]=3 29507 B12R0.5 CCC/C=C/COCOCCCC 27036111cc8da4dc4fa5433ccda3f7d4 [0,3,0,0,0,0|0,0,0]=3 29508 B12R0.5 CCC/C=C/COCOCCOC 4783b874bfa9c7ef028e8e3cce9aec14 [0,3,0,0,0,0|0,0,1]=4 29509 B12R0.5 CCC/C=C\CCCOCCCC 2debf5442c9aa795cd474990e79e2484 [0,3,0,0,0,0|0,0,0]=3 29510 B12R0.5 CCC/C=C\CCCOCCCF 7184aaa28ea6ccd69e937edbd21d2c4f [0,3,0,0,0,0|1,0,0]=4 29511 B12R0.5 CCC/C=C\CCCOCCCS 2a7e1d55bda5269506c9c669fca8c6dc [0,3,0,0,0,0|1,0,0]=4 29512 B12R0.5 CCC/C=C\CCCOCCOC 41974e69e1f6a9dc3168889e41338907 [0,3,0,0,0,0|1,0,0]=4 29513 B12R0.5 CCC/C=C\CCCOCCSC 748cc1c9ae0e7da89e84e468b3d9757d [0,3,0,0,0,0|1,0,0]=4 29514 B12R0.5 CCC/C=C\CCCOCOCC 92b8f18a37cece9a0d51519cbaf547b5 [0,3,0,0,0,0|1,0,0]=4 29515 B12R0.5 CCC/C=C\CCOCCCC#N 1eee041067b6670686694f3876cab36f [0,3,0,0,0,0|0,0,1]=4 29516 B12R0.5 CCC/C=C\CCOCCCC=O dcaf05ab84b68c38f82e96f33e82d12f [0,3,0,0,0,0|0,0,1]=4 29517 B12R0.5 CCC/C=C\CCOCCCCC 933ae5e18f4e71f5abe819a6a4dec18b [0,3,0,0,0,0|0,0,0]=3 29518 B12R0.5 CCC/C=C\CCOCCCCF 43f5b7fc813ef6c81dc3cd917a86c70b [0,3,0,0,0,0|0,0,0]=3 29519 B12R0.5 CCC/C=C\CCOCCCOC d1f8c6975b41bf781665a0bdd6c385bf [0,3,0,0,0,0|0,0,0]=3 29520 B12R0.5 CCC/C=C\CCOCCCSC 48ac0a216e14e604344a96a2a1e27945 [0,3,0,0,0,0|0,0,0]=3 29521 B12R0.5 CCC/C=C\CCOCCOCC 1ee6db777536b74abb1f01c1fbf79aab [0,3,0,0,0,0|0,0,0]=3 29522 B12R0.5 CCC/C=C\CCOCCSCC a0ace1aa7f1195a554d15f0cc252808f [0,3,0,0,0,0|0,0,0]=3 29523 B12R0.5 CCC/C=C\CNCCCCCC ec2f832d65696be1ea107f995d9aae42 [0,3,0,0,0,0|1,0,0]=4 29524 B12R0.5 CCC/C=C\CNCCCCCCl fbd9ec436b8089db7379b993d55aeca4 [0,3,0,0,0,0|1,0,0]=4 29525 B12R0.5 CCC/C=C\CNCCCCCO 9fffd53497e0ce255abd8262b49320e7 [0,3,0,0,0,0|1,0,0]=4 29526 B12R0.5 CCC/C=C\CNCCCCOC 648a4f266bc9c6d64dfac2d7185fd0a9 [0,3,0,0,0,0|1,0,0]=4 29527 B12R0.5 CCC/C=C\CNCCCCSC 0c462ac70b6d0bf5cdcca0a72a84f187 [0,3,0,0,0,0|1,0,0]=4 29528 B12R0.5 CCC/C=C\CNCCCOCC f9748369f1464fee12da46ba08033155 [0,3,0,0,0,0|1,0,0]=4 29529 B12R0.5 CCC/C=C\CNCCOCCC b9e080d51929dcbbecf6042ba176f12f [0,3,0,0,0,0|1,0,0]=4 29530 B12R0.5 CCC/C=C\COC/C=C/CCC ed99f4c3f599b38d4c6da40fb0cb6ac4 [0,3,0,0,0,0|0,0,1]=4 29531 B12R0.5 CCC/C=C\COC/C=C\CCC 47aeb47f111d7ff97a4d743574badcf2 [0,3,0,0,0,0|0,0,1]=4 29532 B12R0.5 CCC/C=C\COCCCCC#N c48c51c6f366dc1eba260bcef186080c [0,3,0,0,0,0|0,0,1]=4 29533 B12R0.5 CCC/C=C\COCCCCC=O 875a9580aca15745b2a34b1d831bd716 [0,3,0,0,0,0|0,0,1]=4 29534 B12R0.5 CCC/C=C\COCCCCCC 1d5fd56b8c150c394afce0d32805d101 [0,3,0,0,0,0|0,0,0]=3 29535 B12R0.5 CCC/C=C\COCCCCCF 231de050b1703af89fb664473d34d2fd [0,3,0,0,0,0|0,0,0]=3 29536 B12R0.5 CCC/C=C\COCCCCOC 8b92fb1c48459cb384cc46a9044c13c3 [0,3,0,0,0,0|0,0,0]=3 29537 B12R0.5 CCC/C=C\COCCCCSC 653fd2b136c1fbf02c945c5f777b61ed [0,3,0,0,0,0|0,0,0]=3 29538 B12R0.5 CCC/C=C\COCCCOCC 7d94c153863d85cc07ae68defd66dfbf [0,3,0,0,0,0|0,0,0]=3 29539 B12R0.5 CCC/C=C\COCCCSCC 5db7ef2f56c05581231c0849344c1399 [0,3,0,0,0,0|0,0,0]=3 29540 B12R0.5 CCC/C=C\COCCOCCC 7dbf56eff49a1646667052cc735b5d4b [0,3,0,0,0,0|0,0,0]=3 29541 B12R0.5 CCC/C=C\COCCOCCF 0a908b51dfc70f2c76382b7576c9313a [0,3,0,0,0,0|0,0,1]=4 29542 B12R0.5 CCC/C=C\COCCOCCS 2c3889721cb5003172b81234ecc0eafb [0,3,0,0,0,0|0,0,1]=4 29543 B12R0.5 CCC/C=C\COCCOCOC 91a3af1dca56f3c3eef9d378db9b2486 [0,3,0,0,0,0|0,0,1]=4 29544 B12R0.5 CCC/C=C\COCCSCCC ddbebb26c14cdf8052e4a3db76d8b468 [0,3,0,0,0,0|0,0,0]=3 29545 B12R0.5 CCC/C=C\COCOCCCC e8258639f836b6e927fbb5d4fbdd55ad [0,3,0,0,0,0|0,0,0]=3 29546 B12R0.5 CCC/C=C\COCOCCOC 4ffe7fbac6606e17360bec1a28f80db7 [0,3,0,0,0,0|0,0,1]=4 29547 B12R0.5 CCC=CCCCCCOCCC a1e5b51b658af73fa132b283edd1b582 [0,3,0,0,0,0|1,0,0]=4 29548 B12R0.5 CCCC#CCCOCCCC#N 263a96f25ec82f0e35fd9410fe5fab1c [0,3,0,0,0,0|0,0,1]=4 29549 B12R0.5 CCCC#CCCOCCCC=O e213682fd87e2cde8f8dbdf522c776f7 [0,3,0,0,0,0|0,0,1]=4 29550 B12R0.5 CCCC#CCCOCCCCC b904cf5231401cbe54dce45157f8de36 [0,3,0,0,0,0|0,0,0]=3 29551 B12R0.5 CCCC#CCCOCCCCF 21df9b8df517063620b81187c27009f3 [0,3,0,0,0,0|0,0,0]=3 29552 B12R0.5 CCCC#CCCOCCCOC ff76109a10dbcac45266939e6ce1c963 [0,3,0,0,0,0|0,0,0]=3 29553 B12R0.5 CCCC#CCCOCCCSC b7f5841048f2ddfeae86b4c7f50ff3e3 [0,3,0,0,0,0|0,0,0]=3 29554 B12R0.5 CCCC#CCCOCCOCC 04581ea83ea25195d6387d5a4502a129 [0,3,0,0,0,0|0,0,0]=3 29555 B12R0.5 CCCC#CCCOCCSCC 65cf6b0a23670f76f296356b1824fc8e [0,3,0,0,0,0|0,0,0]=3 29556 B12R0.5 CCCC#CCOC/C=C/CCC 2143d3a7676fa8bed83921dc2583d870 [0,3,0,0,0,0|0,0,1]=4 29557 B12R0.5 CCCC#CCOC/C=C\CCC 184fb086ed821f70c6cb92c6cfc64773 [0,3,0,0,0,0|0,0,1]=4 29558 B12R0.5 CCCC#CCOCCCCC#N bb5cb076ab37bd6f4c48ff57e8dd1a21 [0,3,0,0,0,0|0,0,1]=4 29559 B12R0.5 CCCC#CCOCCCCC=O d01f461a45fd5fd3de63aaeabbaab9dc [0,3,0,0,0,0|0,0,1]=4 29560 B12R0.5 CCCC#CCOCCCCCC 1c79f5e0d877ea0ba1b7c2e2eb0c5efb [0,3,0,0,0,0|0,0,0]=3 29561 B12R0.5 CCCC#CCOCCCCCF 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B12R0.5 CCCC/C=C/CNCCCCO 3d3327b565c56b4125603a4e510d5222 [0,3,0,0,0,0|1,0,0]=4 29574 B12R0.5 CCCC/C=C/CNCCCCS 7dd9201f62144349c77d04d93470b6f0 [0,3,0,0,0,0|1,0,0]=4 29575 B12R0.5 CCCC/C=C/CNCCCOC faba35b3639c37d5698a13b5b145b009 [0,3,0,0,0,0|1,0,0]=4 29576 B12R0.5 CCCC/C=C/CNCCCSC eabdb4d8e4d9e3a9e5a4f7962fcb3811 [0,3,0,0,0,0|1,0,0]=4 29577 B12R0.5 CCCC/C=C/CNCCOCC 0308e4628ea232df50883a16f16438a1 [0,3,0,0,0,0|1,0,0]=4 29578 B12R0.5 CCCC/C=C/CNCCSCC 33374051c7fe197cd10f370ea5de0cd1 [0,3,0,0,0,0|1,0,0]=4 29579 B12R0.5 CCCC/C=C/COCCCC#N 08177bf03782adc534b238b2904a6eb2 [0,3,0,0,0,0|0,0,1]=4 29580 B12R0.5 CCCC/C=C/COCCCC=O cedb2edce904b4f260a6c1130b1df632 [0,3,0,0,0,0|0,0,1]=4 29581 B12R0.5 CCCC/C=C/COCCCCC e45688c223f23d64826a8f4dd12ecd4f [0,3,0,0,0,0|0,0,0]=3 29582 B12R0.5 CCCC/C=C/COCCCCF 28741803f18ccf5f400c2fab71fe30c4 [0,3,0,0,0,0|0,0,0]=3 29583 B12R0.5 CCCC/C=C/COCCCCS 0b867014853fc5d95dd9e4309bfbbebb [0,3,0,0,0,0|0,0,0]=3 29584 B12R0.5 CCCC/C=C/COCCCOC 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9d23f5a3217caf6225e203ba581ae37d [0,3,0,0,0,0|0,0,0]=3 29608 B12R0.5 CCCC/C=C\COCCCCS 76f21f9a04faaa76d4040d239e20f434 [0,3,0,0,0,0|0,0,0]=3 29609 B12R0.5 CCCC/C=C\COCCCOC 208a29f240ff3af872e6b8cb3c96b0f4 [0,3,0,0,0,0|0,0,0]=3 29610 B12R0.5 CCCC/C=C\COCCCSC dcb87633c8d43b2a73eb90c3fec8fdd3 [0,3,0,0,0,0|0,0,0]=3 29611 B12R0.5 CCCC/C=C\COCCOCC afda7711b3892decacdd65c420e15c18 [0,3,0,0,0,0|0,0,0]=3 29612 B12R0.5 CCCC/C=C\COCCSCC ebaa9e5a864feff52d42535c8bc71138 [0,3,0,0,0,0|0,0,0]=3 29613 B12R0.5 CCCC=C=CCCOCCCC 998766cec917470f35e8d6e9862b9335 [0,3,0,0,0,0|0,0,0]=3 29614 B12R0.5 CCCC=C=CCCOCCCF be4b64801649659026503347453edba6 [0,3,0,0,0,0|1,0,0]=4 29615 B12R0.5 CCCC=C=CCCOCCCS 172842a009e342fd924b1db3935e9f79 [0,3,0,0,0,0|1,0,0]=4 29616 B12R0.5 CCCC=C=CCCOCCOC 04c23c7cc022530b4909b137c4ada1c7 [0,3,0,0,0,0|1,0,0]=4 29617 B12R0.5 CCCC=C=CCCOCCSC aa945ad1bbd9cd4053a89eac7c08066e [0,3,0,0,0,0|1,0,0]=4 29618 B12R0.5 CCCC=C=CCCOCOCC 1357ef90f3468bd338096a78b51af54a [0,3,0,0,0,0|1,0,0]=4 29619 B12R0.5 CCCCC#CCCCCOCC da6cbf5228b44b1408a534d77cfbdc83 [0,3,0,0,0,0|1,0,0]=4 29620 B12R0.5 CCCCC#CCCCCOCF e15e465a04e61eeb10e33faf93a15166 [0,3,0,0,0,0|1,0,0]=4 29621 B12R0.5 CCCCC#CCCOCCCC 0562d68b7e944c405810f450f1cb3c65 [0,3,0,0,0,0|0,0,0]=3 29622 B12R0.5 CCCCC#CCCOCCCF 7d6bf0683ea4a44300cf051d1fb18257 [0,3,0,0,0,0|1,0,0]=4 29623 B12R0.5 CCCCC#CCCOCCCS 6fac5852ae545696707fea5cf5d974d4 [0,3,0,0,0,0|1,0,0]=4 29624 B12R0.5 CCCCC#CCCOCCOC 03674199558264696c8e42d106753815 [0,3,0,0,0,0|1,0,0]=4 29625 B12R0.5 CCCCC#CCCOCCSC 2dd0f1a9dc464e8acfd54a12da112773 [0,3,0,0,0,0|1,0,0]=4 29626 B12R0.5 CCCCC#CCCOCOCC 09b99dee808b932b766683427d46199a [0,3,0,0,0,0|1,0,0]=4 29627 B12R0.5 CCCCC#CCOCCCC#N 699640d6947f4dd8c2d1b3c9b09867ed [0,3,0,0,0,0|0,0,1]=4 29628 B12R0.5 CCCCC#CCOCCCC=O e648367456ba83f90a3a967d94e81c5b [0,3,0,0,0,0|0,0,1]=4 29629 B12R0.5 CCCCC#CCOCCCCC 2965c551bf3a952c7f6dfe6f340a4c38 [0,3,0,0,0,0|0,0,0]=3 29630 B12R0.5 CCCCC#CCOCCCCF 540d58e1ec44630c1cd64fedf15e000d [0,3,0,0,0,0|0,0,0]=3 29631 B12R0.5 CCCCC#CCOCCCOC c53bbd49dfa0f1704f6265892afd7fa2 [0,3,0,0,0,0|0,0,0]=3 29632 B12R0.5 CCCCC#CCOCCCSC b8bef5bcaed1cad2a97d4d075a03345c [0,3,0,0,0,0|0,0,0]=3 29633 B12R0.5 CCCCC#CCOCCOCC 33b9205c7ab238391ae55a2e2093686b [0,3,0,0,0,0|0,0,0]=3 29634 B12R0.5 CCCCC#CCOCCSCC a05dc7e477152aa38e5c831a5ce7a05e [0,3,0,0,0,0|0,0,0]=3 29635 B12R0.5 CCCCC/C=C/COCCCC f209b2cbc3e9eb6d8489ec5fce94e7d9 [0,3,0,0,0,0|0,0,0]=3 29636 B12R0.5 CCCCC/C=C/COCCCF 4a123058a9c2ce6799e31e302f0370ac [0,3,0,0,0,0|1,0,0]=4 29637 B12R0.5 CCCCC/C=C/COCCCS 5a3cf8d4bb9e3601d1209d5c0587b0af [0,3,0,0,0,0|1,0,0]=4 29638 B12R0.5 CCCCC/C=C/COCCOC 346dcd99a3e74b906b0f8491218c3978 [0,3,0,0,0,0|1,0,0]=4 29639 B12R0.5 CCCCC/C=C/COCCSC e0fb53e746c5807e48c702a22a703980 [0,3,0,0,0,0|1,0,0]=4 29640 B12R0.5 CCCCC/C=C/COCOCC 4a19294d86fc14fc2c4c444c9bceb78e [0,3,0,0,0,0|1,0,0]=4 29641 B12R0.5 CCCCC/C=C\CCCOCC 6437ea0e3b9db0f73ec0b1ee876f7fa0 [0,3,0,0,0,0|1,0,0]=4 29642 B12R0.5 CCCCC/C=C\CCCOCF 4d542fde4a8aef463d2e9fe9cd292c24 [0,3,0,0,0,0|1,0,0]=4 29643 B12R0.5 CCCCC/C=C\CCOCCC b03c4cafd4c34c496ce7a2999b316b2c [0,3,0,0,0,0|1,0,0]=4 29644 B12R0.5 CCCCC/C=C\CCOCCF 9084af17a0faf9672e7598ebc40f8303 [0,3,0,0,0,0|1,0,0]=4 29645 B12R0.5 CCCCC/C=C\CCOCCS 452a5722eedc9ce2a06ed6e1c30c3838 [0,3,0,0,0,0|1,0,0]=4 29646 B12R0.5 CCCCC/C=C\CCOCOC 15bca33d413ea08b42fc32ab9dfa37d5 [0,3,0,0,0,0|1,0,0]=4 29647 B12R0.5 CCCCC/C=C\CCOCSC cf805d0478fce5e04f32c673e93a7c71 [0,3,0,0,0,0|1,0,0]=4 29648 B12R0.5 CCCCC=C=CCCCOCC d8bb4c8ddb2364ba7ce6fa1a606b7b00 [0,3,0,0,0,0|1,0,0]=4 29649 B12R0.5 CCCCCC#CCCOCCC 6b4f9de4996955bf32dfe63717aa43c1 [0,3,0,0,0,0|1,0,0]=4 29650 B12R0.5 CCCCCC#CCCOCCF 190ca00e27d7efe09fa8fe4b0b6f1e47 [0,3,0,0,0,0|1,0,0]=4 29651 B12R0.5 CCCCCC#CCCOCCS 56b7ee630b5830cd4656031b8e67dc3b [0,3,0,0,0,0|1,0,0]=4 29652 B12R0.5 CCCCCC#CCCOCOC 54e0a186aaa6cdc05e1bce8eb3032f9b [0,3,0,0,0,0|1,0,0]=4 29653 B12R0.5 CCCCCC#CCCOCSC 53d41265df538b7d5c37a5c521c28d98 [0,3,0,0,0,0|1,0,0]=4 29654 B12R0.5 CCCCCC#CCOCCCC d8b3b1d9a5f6e505c8c800cea754bc98 [0,3,0,0,0,0|0,0,0]=3 29655 B12R0.5 CCCCCC#CCOCCCF 84d20786e673158ab4c8213805b5a810 [0,3,0,0,0,0|1,0,0]=4 29656 B12R0.5 CCCCCC#CCOCCCS 28cfdf4188ceac4129f039bcb4f786d1 [0,3,0,0,0,0|1,0,0]=4 29657 B12R0.5 CCCCCC#CCOCCOC 9a5d4c362308082d28493bbe4f386324 [0,3,0,0,0,0|1,0,0]=4 29658 B12R0.5 CCCCCC#CCOCCSC 9fb4b86a69c32e383faec56fcfd65903 [0,3,0,0,0,0|1,0,0]=4 29659 B12R0.5 CCCCCC#CCOCOCC 0ffb59342a2be50f1257853f9d9ea233 [0,3,0,0,0,0|1,0,0]=4 29660 B12R0.5 CCCCCC/C=C/COCCC 74d572f06a0f87d4243639a0a85c3477 [0,3,0,0,0,0|1,0,0]=4 29661 B12R0.5 CCCCCC/C=C\COCCC 54da7d0e500bddd22326f2643e626a61 [0,3,0,0,0,0|1,0,0]=4 29662 B12R0.5 CCCCCC=CCCCOCC 828b4e01428e98db6f92776d11087df4 [0,3,0,0,0,0|1,0,0]=4 29663 B12R0.5 CCCCCC=CCCCOCF 8134f416f38eac9d68575e6236940328 [0,3,0,0,0,0|1,0,0]=4 29664 B12R0.5 CCCCCCC#CCCOCC ef501ff3872e4241f29b91cca5b30109 [0,3,0,0,0,0|1,0,0]=4 29665 B12R0.5 CCCCCCC#CCOCCC b28852550b0c06387953226b4f0d5b0e [0,3,0,0,0,0|1,0,0]=4 29666 B12R0.5 CCCCCCCC#CCOCC 5642d78173bb7c8feb9c55672fdd3edd [0,3,0,0,0,0|1,0,0]=4 29667 B12R0.5 CCCCCCCCCCNC#N 81f5a27160b6217e1f99b5ea9f4b01db [0,3,0,0,0,0|1,0,0]=4 29668 B12R0.5 CCCCCCCCCCNC=O 1537f14124df364d279abcf5b660d0c5 [0,3,0,0,0,0|1,0,0]=4 29669 B12R0.5 CCCCCCCCCCNCC e80940377bc29f1fc977847aebd78b45 [0,3,0,0,0,0|1,0,0]=4 29670 B12R0.5 CCCCCCCCCCNCF 4ea9bdaa9d02510cb5337a80bf462ead [0,3,0,0,0,0|1,0,0]=4 29671 B12R0.5 CCCCCCCCCCNCO 3da742f62fc3bc4948c74f6f423603e6 [0,3,0,0,0,0|1,0,0]=4 29672 B12R0.5 CCCCCCCCCCOCC 52437bb3a91bd059f4b17de4e7dc261a [0,3,0,0,0,0|1,0,0]=4 29673 B12R0.5 CCCCCCCCCCOCF 2168a51e0f15ffc2e4fc0272ecbc895e [0,3,0,0,0,0|1,0,0]=4 29674 B12R0.5 CCCCCCCCCNCC#N a9bdca243a26dfb36927d7e8a53abdbc [0,3,0,0,0,0|1,0,0]=4 29675 B12R0.5 CCCCCCCCCNCC=O 3553ec83c2ba17cf5ee24ef3c87e1ab1 [0,3,0,0,0,0|1,0,0]=4 29676 B12R0.5 CCCCCCCCCNCCBr 7daba6e13c5c9d002c03118216ed4d6f [0,3,0,0,0,0|1,0,0]=4 29677 B12R0.5 CCCCCCCCCNCCC 496c4e269cdc1bf4c6cca72c3b7d8c1d [0,3,0,0,0,0|1,0,0]=4 29678 B12R0.5 CCCCCCCCCNCCF 7d1e4373dab261f963b4a44ce15d4212 [0,3,0,0,0,0|1,0,0]=4 29679 B12R0.5 CCCCCCCCCNCCI 746f62d1ef41c202d2eb875a1abf3209 [0,3,0,0,0,0|1,0,0]=4 29680 B12R0.5 CCCCCCCCCNCCO ef326b0fbb3455512981a3e142c33df9 [0,3,0,0,0,0|1,0,0]=4 29681 B12R0.5 CCCCCCCCCNCCS 9f5cd8a7f897a6484cb6d1b8e489dc19 [0,3,0,0,0,0|1,0,0]=4 29682 B12R0.5 CCCCCCCCCNCOC c2a4eae77c24939eb8c92df13924b1df [0,3,0,0,0,0|1,0,0]=4 29683 B12R0.5 CCCCCCCCCNCSC 796a45e33c1d09549efdf91b1c1ec6d9 [0,3,0,0,0,0|1,0,0]=4 29684 B12R0.5 CCCCCCCCCOCC#N da7eba7c8b9c0471647dc8a33a2e23e1 [0,3,0,0,0,0|1,0,0]=4 29685 B12R0.5 CCCCCCCCCOCC=O 4b28d29150f193742f2a23373046bf98 [0,3,0,0,0,0|1,0,0]=4 29686 B12R0.5 CCCCCCCCCOCCC 4322b308f08262eed0b208fc066bda53 [0,3,0,0,0,0|1,0,0]=4 29687 B12R0.5 CCCCCCCCCOCCF f57adb123c91a6925bc170eeba6ece8d [0,3,0,0,0,0|1,0,0]=4 29688 B12R0.5 CCCCCCCCCOCCS 8c9a6ab96c9f182ca498eea1ce8630b8 [0,3,0,0,0,0|1,0,0]=4 29689 B12R0.5 CCCCCCCCCOCOC b74d7601090611b85fd0d06c69418645 [0,3,0,0,0,0|1,0,0]=4 29690 B12R0.5 CCCCCCCCCOCSC 9414a61703db48a7f8f6b132ae80c9f5 [0,3,0,0,0,0|1,0,0]=4 29691 B12R0.5 CCCCCCCCNCCC#N e33e26c3ccbda1e576116769759fe471 [0,3,0,0,0,0|1,0,0]=4 29692 B12R0.5 CCCCCCCCNCCC=O c63b4d3dda11ab1f15fca12549c294f9 [0,3,0,0,0,0|1,0,0]=4 29693 B12R0.5 CCCCCCCCNCCCC 6a385a8a41c995dd3b1204809a962652 [0,3,0,0,0,0|1,0,0]=4 29694 B12R0.5 CCCCCCCCNCCCCl 0057331c3fc8ee92cb24f621bb2c7bf5 [0,3,0,0,0,0|1,0,0]=4 29695 B12R0.5 CCCCCCCCNCCCF d076560df42bf48d4421a41244b4efef [0,3,0,0,0,0|1,0,0]=4 29696 B12R0.5 CCCCCCCCNCCCO 2187d60311cc6aa2345a566a6ec9d1ad [0,3,0,0,0,0|1,0,0]=4 29697 B12R0.5 CCCCCCCCNCCCS 4cb2c5e7bf07e4f986bde323b7be68c9 [0,3,0,0,0,0|1,0,0]=4 29698 B12R0.5 CCCCCCCCNCCOC 8b44b16e8c9cf265ed7bf09fd8b20f6a [0,3,0,0,0,0|1,0,0]=4 29699 B12R0.5 CCCCCCCCNCCON ce842f428ebb7324eeaa4b7a7447f821 [0,3,0,0,0,0|1,0,0]=4 29700 B12R0.5 CCCCCCCCNCCSC ade65a1d31726c646b156dee3b97cabb [0,3,0,0,0,0|1,0,0]=4 29701 B12R0.5 CCCCCCCCNCOCC e408e59c5cb2d0cc1b0f539ab5ba5c56 [0,3,0,0,0,0|1,0,0]=4 29702 B12R0.5 CCCCCCCCOCCC#N b9e917d20627945a703714d9a8cb5c2c [0,3,0,0,0,0|1,0,0]=4 29703 B12R0.5 CCCCCCCCOCCC=O d5590d4e338368a5ce166fd30f905848 [0,3,0,0,0,0|1,0,0]=4 29704 B12R0.5 CCCCCCCCOCCCC 24d8d63233de1427a8a72f2791a578b9 [0,3,0,0,0,0|0,0,0]=3 29705 B12R0.5 CCCCCCCCOCCCF bac6e71c7ea2b9d861664b36b891ce51 [0,3,0,0,0,0|1,0,0]=4 29706 B12R0.5 CCCCCCCCOCCCS fa1aa683e2e24f867054b057441b25d8 [0,3,0,0,0,0|1,0,0]=4 29707 B12R0.5 CCCCCCCCOCCOC ce4fb41f591ff420399ddd8966552574 [0,3,0,0,0,0|1,0,0]=4 29708 B12R0.5 CCCCCCCCOCCSC bfdb6ad08eae03e74439ad12516cd025 [0,3,0,0,0,0|1,0,0]=4 29709 B12R0.5 CCCCCCCCOCOCC 7c56cdbb637bc1b95dd21e9f11ba4ddb [0,3,0,0,0,0|1,0,0]=4 29710 B12R0.5 CCCCCCCNCCCC#N f46501787a3de0f69a941d53efd85a8c [0,3,0,0,0,0|1,0,0]=4 29711 B12R0.5 CCCCCCCNCCCC=O 585c2de31b042ea27632ddc61b31272f [0,3,0,0,0,0|1,0,0]=4 29712 B12R0.5 CCCCCCCNCCCCC 72b549a405112f89aa8cd8b0dad16028 [0,3,0,0,0,0|1,0,0]=4 29713 B12R0.5 CCCCCCCNCCCCCl d7665c84dc7c2f5ec86f55710cc5f3f6 [0,3,0,0,0,0|1,0,0]=4 29714 B12R0.5 CCCCCCCNCCCCF 9ee5241d3b07835d098f7db4d7ceb58c [0,3,0,0,0,0|1,0,0]=4 29715 B12R0.5 CCCCCCCNCCCCO 4d5b80e4d0458a47b38eee6fb8b08426 [0,3,0,0,0,0|1,0,0]=4 29716 B12R0.5 CCCCCCCNCCCCS e840cc3a6165e6e3ed06d443607fabab [0,3,0,0,0,0|1,0,0]=4 29717 B12R0.5 CCCCCCCNCCCOC e050d7b41945291ef4b084d449efbe5f [0,3,0,0,0,0|1,0,0]=4 29718 B12R0.5 CCCCCCCNCCCSC 2842c441dc1885d055bd97c2aed18937 [0,3,0,0,0,0|1,0,0]=4 29719 B12R0.5 CCCCCCCNCCOCC 2440c4fde889d2b7d7d6369c99d44a5d [0,3,0,0,0,0|1,0,0]=4 29720 B12R0.5 CCCCCCCNCCSCC 7c0e2bffe25f1fa73a87ac541061a210 [0,3,0,0,0,0|1,0,0]=4 29721 B12R0.5 CCCCCCCOCCCC#N cc186daaee64f1ebb92b445c8f6062ea [0,3,0,0,0,0|0,0,1]=4 29722 B12R0.5 CCCCCCCOCCCC=O a2f9552506f2014609248faf87b21fa0 [0,3,0,0,0,0|0,0,1]=4 29723 B12R0.5 CCCCCCCOCCCCC 285b946b6e6b7c9720427b30e2082938 [0,3,0,0,0,0|0,0,0]=3 29724 B12R0.5 CCCCCCCOCCCCF 28e64fb329754eafc0490dd418b652de [0,3,0,0,0,0|0,0,0]=3 29725 B12R0.5 CCCCCCCOCCCCS 5c8fcbadc0044730188b11ea22a8a2ac [0,3,0,0,0,0|0,0,0]=3 29726 B12R0.5 CCCCCCCOCCCOC b4260847eba89607b471de8d9566de12 [0,3,0,0,0,0|0,0,0]=3 29727 B12R0.5 CCCCCCCOCCCSC 298364c340f3b4b73aaa21caf3626284 [0,3,0,0,0,0|0,0,0]=3 29728 B12R0.5 CCCCCCCOCCOCC 4b6abbd4a8dd4b4a2b51ff934d81c59f [0,3,0,0,0,0|0,0,0]=3 29729 B12R0.5 CCCCCCCOCCSCC 9a1d5bc732877d57c3cea92c3d6e7a78 [0,3,0,0,0,0|0,0,0]=3 29730 B12R0.5 CCCCCCNCCCCC#N fa14471a44adf2a26b137506cd6064f6 [0,3,0,0,0,0|1,0,0]=4 29731 B12R0.5 CCCCCCNCCCCC=O 02ed7ddbeee0c8680654413663afd4e6 [0,3,0,0,0,0|1,0,0]=4 29732 B12R0.5 CCCCCCNCCCCCC d1aa2dfeb2d94f392124eb2f0bc63bb7 [0,3,0,0,0,0|1,0,0]=4 29733 B12R0.5 CCCCCCNCCCCCCl 19d2e9c28b57b3e54166d0e0083d11f0 [0,3,0,0,0,0|1,0,0]=4 29734 B12R0.5 CCCCCCNCCCCCF 18fef7ab5c58dd0ba5c9053b6435c0c5 [0,3,0,0,0,0|1,0,0]=4 29735 B12R0.5 CCCCCCNCCCCCO de314ce107d956be3c0ada014da53028 [0,3,0,0,0,0|1,0,0]=4 29736 B12R0.5 CCCCCCNCCCCOC d81185cf7e447ab8e33c1783732daa30 [0,3,0,0,0,0|1,0,0]=4 29737 B12R0.5 CCCCCCNCCCCON 5c0e13675d559874675c857a340b103f [0,3,0,0,0,0|1,0,0]=4 29738 B12R0.5 CCCCCCNCCCCSC cf3128fef401c161c1163aaad1db109a [0,3,0,0,0,0|1,0,0]=4 29739 B12R0.5 CCCCCCNCCCOCC f6549b444bf51547932ef78317b1cba1 [0,3,0,0,0,0|1,0,0]=4 29740 B12R0.5 CCCCCCNCCCSCC 30151552f625ea531d727aafbd1c6324 [0,3,0,0,0,0|1,0,0]=4 29741 B12R0.5 CCCCCCNCCOCCC e2a8a540ad96d6ceb8b51f4a797b7bf5 [0,3,0,0,0,0|1,0,0]=4 29742 B12R0.5 CCCCCCNCCOCCO 3325928e882f7f41246ad64376daacd0 [0,3,0,0,0,0|1,0,0]=4 29743 B12R0.5 CCCCCCNCCOCCS 95d2f1cd40cc70d493c9517202f53bf9 [0,3,0,0,0,0|1,0,0]=4 29744 B12R0.5 CCCCCCNCCOCOC 139200e9d0450a2988d3d9e0606506a2 [0,3,0,0,0,0|1,0,0]=4 29745 B12R0.5 CCCCCCNCCSCCO 29b4fc4fd30bdf24cdbbca4d9c797cc6 [0,3,0,0,0,0|1,0,0]=4 29746 B12R0.5 CCCCCCNCOCCCC 25e435e1a9b99ff3570ab6cbb1667c4f [0,3,0,0,0,0|0,0,0]=3 29747 B12R0.5 CCCCCCNCOCCOC ed2d153f89b34d5469ee722eb0727465 [0,3,0,0,0,0|1,0,0]=4 29748 B12R0.5 CCCCCCOCC#CCOC e3f23a6b8e04deb0aa142dfa87e96669 [0,3,0,0,0,0|0,0,1]=4 29749 B12R0.5 CCCCCCOCCCCC#N 7f95068e521757a258b4fffe0855d9f1 [0,3,0,0,0,0|0,0,0]=3 29750 B12R0.5 CCCCCCOCCCCC=O 8d79f2e0847cc796c48cf03a84be16d9 [0,3,0,0,0,0|0,0,0]=3 29751 B12R0.5 CCCCCCOCCCCCC cd1b7d8c0a048e5235c8a00a93f9576b [0,3,0,0,0,0|0,0,0]=3 29752 B12R0.5 CCCCCCOCCCCCF 9470617aa548969720c3eff0b47a2dc9 [0,3,0,0,0,0|0,0,0]=3 29753 B12R0.5 CCCCCCOCCCCOC 06811c8c89c5491d0c77f14e6e588208 [0,3,0,0,0,0|0,0,0]=3 29754 B12R0.5 CCCCCCOCCCCSC 434b7f0fafa7ed0b10267f85432d892c [0,3,0,0,0,0|0,0,0]=3 29755 B12R0.5 CCCCCCOCCCOCC a3d8c9306f7dad21e20c6e661be67c7a [0,3,0,0,0,0|0,0,0]=3 29756 B12R0.5 CCCCCCOCCCSCC 128c98fa911d26c6b96d1acd87bdd715 [0,3,0,0,0,0|0,0,0]=3 29757 B12R0.5 CCCCCCOCCOCC#N e6e91818215d49d9cb3f780d8471161e [0,3,0,0,0,0|0,0,1]=4 29758 B12R0.5 CCCCCCOCCOCC=O 46cd38f32d60c3811e90ad64acd956ec [0,3,0,0,0,0|0,0,1]=4 29759 B12R0.5 CCCCCCOCCOCCC 0b776a6564a32a4d4baee1261a5f3b55 [0,3,0,0,0,0|0,0,0]=3 29760 B12R0.5 CCCCCCOCCOCCF bfc4dd6268d0604cec0bfd094f6efd3c [0,3,0,0,0,0|0,0,0]=3 29761 B12R0.5 CCCCCCOCCOCCS 201d823451c42ea41ad392f5b4eaaa4d [0,3,0,0,0,0|0,0,0]=3 29762 B12R0.5 CCCCCCOCCOCOC 85c693fee8d5b2467b545ac0c80d6b13 [0,3,0,0,0,0|0,0,0]=3 29763 B12R0.5 CCCCCCOCCOCSC eed1e8cc5401bec78f8441caf92701d1 [0,3,0,0,0,0|0,0,0]=3 29764 B12R0.5 CCCCCCOCCSCCC 84fac9d41bb9fe99ededf5f486d0a604 [0,3,0,0,0,0|0,0,0]=3 29765 B12R0.5 CCCCCCOCOCCCC cdfb9490a2c410c2823d721928de1f2c [0,3,0,0,0,0|0,0,0]=3 29766 B12R0.5 CCCCCCOCOCCOC ec9eb27d751919b09cc32330d08d76d6 [0,3,0,0,0,0|0,0,0]=3 29767 B12R0.5 CCCCCNCCCCCC#N a50005b9893dde5e72b513af70848f4e [0,3,0,0,0,0|1,0,0]=4 29768 B12R0.5 CCCCCNCCCCCC=O 94a027e2122ac62fbcb81bda6cf6c8a6 [0,3,0,0,0,0|1,0,0]=4 29769 B12R0.5 CCCCCNCCCCCCCl 2fae296f3057226de42abe245bbb99f1 [0,3,0,0,0,0|1,0,0]=4 29770 B12R0.5 CCCCCNCCCCCCF 49b73cb2cd1eb6868e0ea964ce13bb29 [0,3,0,0,0,0|1,0,0]=4 29771 B12R0.5 CCCCCNCCCCCCO 4ed31c1e38a3460e294f9174ed65608e [0,3,0,0,0,0|1,0,0]=4 29772 B12R0.5 CCCCCNCCCCCOC a3ce138cbd31c716d072a80b7b26533e [0,3,0,0,0,0|1,0,0]=4 29773 B12R0.5 CCCCCNCCCCSCC 3265f2c2c62d5f9c7954328456a04078 [0,3,0,0,0,0|1,0,0]=4 29774 B12R0.5 CCCCCNCCCOCCC 1cf415a99239b8493aea39dd9d978a5d [0,3,0,0,0,0|1,0,0]=4 29775 B12R0.5 CCCCCNCCCOCCO f13afb5315ecbc803833352e61414e6b [0,3,0,0,0,0|1,0,0]=4 29776 B12R0.5 CCCCCNCCOCCCC 4cc7bf125028c8fae926c8c6ae75a47d [0,3,0,0,0,0|0,0,0]=3 29777 B12R0.5 CCCCCNCCOCCCO 5c6be3d520bec6c2dc5c279c671a5015 [0,3,0,0,0,0|1,0,0]=4 29778 B12R0.5 CCCCCNCCOCCOC c24298e41b3e8451d3f65b93991a41ce [0,3,0,0,0,0|1,0,0]=4 29779 B12R0.5 CCCCCNCCOCCON 68a3313124d18ed53f64eca25c19feec [0,3,0,0,0,0|1,0,0]=4 29780 B12R0.5 CCCCCNCCSSCCO b7a5d4d507bbfdf6544c7f2b66984c25 [0,3,0,0,0,0|1,0,0]=4 29781 B12R0.5 CCCCCOCCCCCC#N 3156ce986419e7c69b4c3e060273b5d5 [0,3,0,0,0,0|0,0,0]=3 29782 B12R0.5 CCCCCOCCCCCC=O 86a9ac24a54eb8ff4ef6f9626ffa179c [0,3,0,0,0,0|0,0,0]=3 29783 B12R0.5 CCCCCOCCCCCCF 7734af3d3bf154628ebaef98ff156a39 [0,3,0,0,0,0|0,0,0]=3 29784 B12R0.5 CCCCCOCCCCCCS bb032fba919f7c550fb79b69925be26e [0,3,0,0,0,0|0,0,0]=3 29785 B12R0.5 CCCCCOCCCCCOC 0484cf637cc7af5c7ba315362b09ff93 [0,3,0,0,0,0|0,0,0]=3 29786 B12R0.5 CCCCCOCCCOCC#N a2959cc19c0840a0cd192dce03a77922 [0,3,0,0,0,0|0,0,0]=3 29787 B12R0.5 CCCCCOCCCOCC=O c79070d3753767ae8cb371a7314ea3eb [0,3,0,0,0,0|0,0,0]=3 29788 B12R0.5 CCCCCOCCCOCCC 53e637d746cc3048007b628e3f515b8a [0,3,0,0,0,0|0,0,0]=3 29789 B12R0.5 CCCCCOCCCOCCF b214e9dab34a87d987f3132188101b6f [0,3,0,0,0,0|0,0,0]=3 29790 B12R0.5 CCCCCOCCCOCCS 3dde90284256958f66b326cd165f54ef [0,3,0,0,0,0|0,0,0]=3 29791 B12R0.5 CCCCCOCCCOCOC 02ad96e08adcad9df53dc08a48c810de [0,3,0,0,0,0|0,0,0]=3 29792 B12R0.5 CCCCCOCCCOCSC 24a5e8c55368675a1f05d539690ed61b [0,3,0,0,0,0|0,0,0]=3 29793 B12R0.5 CCCCCOCCOC/C=C/Cl 30be5f02caca5e363b46d386ee27f445 [0,3,0,0,0,0|0,0,1]=4 29794 B12R0.5 CCCCCOCCOC/C=C\Cl 90ff52afcebe83f442aa45eb41a19b5c [0,3,0,0,0,0|0,0,1]=4 29795 B12R0.5 CCCCCOCCOCCC#N 29c2d06f7f564ce74daebc847ccd5e98 [0,3,0,0,0,0|0,0,0]=3 29796 B12R0.5 CCCCCOCCOCCC=O cbb61ebee48981993e262db0dfc185f0 [0,3,0,0,0,0|0,0,0]=3 29797 B12R0.5 CCCCCOCCOCCCC 95bb3bc97d22a86549010911f0478c5b [0,3,0,0,0,0|0,0,0]=3 29798 B12R0.5 CCCCCOCCOCCCF 01c09484878c135220b868ced08d71ab [0,3,0,0,0,0|0,0,0]=3 29799 B12R0.5 CCCCCOCCOCCCS db774af48be37d633c46f7f1ae1f7397 [0,3,0,0,0,0|0,0,0]=3 29800 B12R0.5 CCCCCOCCOCCOC 2c979ea1875b321d7ddd78aa1c18bf5b [0,3,0,0,0,0|0,0,0]=3 29801 B12R0.5 CCCCCOCCOCCSC 56fa6eb428410ef81c32fe99db190920 [0,3,0,0,0,0|0,0,0]=3 29802 B12R0.5 CCCCCOCCOCOCC cffc801b42d2c635a5c1faf7ae8a2909 [0,3,0,0,0,0|0,0,0]=3 29803 B12R0.5 CCCCCOCCOCSC#N 45e610e4dc4fbe3ecb569be4f7d5c116 [0,3,0,0,0,0|0,0,1]=4 29804 B12R0.5 CCCCCOCCSCCCC d97f703d785a15c3c69eaf542e211779 [0,3,0,0,0,0|0,0,0]=3 29805 B12R0.5 CCCCNCCCCCCC#N 44308909bdd8d96f44437e77aac1a5d8 [0,3,0,0,0,0|1,0,0]=4 29806 B12R0.5 CCCCNCCCCCCC=O 8acf1384b6868103b5f69e76077259af [0,3,0,0,0,0|1,0,0]=4 29807 B12R0.5 CCCCNCCCCCCCO db5d0f11e34f1825805dd03c1ce47fe9 [0,3,0,0,0,0|1,0,0]=4 29808 B12R0.5 CCCCNCCCCCCOC 866d0efd5924fadf5d370171c0cc287d [0,3,0,0,0,0|1,0,0]=4 29809 B12R0.5 CCCCNCCCCSCCC ba42d1840a02e8fa7cf3777473a761e9 [0,3,0,0,0,0|1,0,0]=4 29810 B12R0.5 CCCCNCCCCSCCO 4ca8287565f5fc3acf1c6925ad74e7d0 [0,3,0,0,0,0|1,0,0]=4 29811 B12R0.5 CCCCNCCCOCCCC 6b24bd593f7b7108cdae61000cb7a3bb [0,3,0,0,0,0|0,0,0]=3 29812 B12R0.5 CCCCNCCCOCCCO 032087e15bee43c4412c17165a4a5298 [0,3,0,0,0,0|1,0,0]=4 29813 B12R0.5 CCCCNCCCOCCOC edd35be88e97e1156073d2c08bc3a415 [0,3,0,0,0,0|1,0,0]=4 29814 B12R0.5 CCCCNCCCOCCSC e6facf73238df4bcc7a6e9a75f26e300 [0,3,0,0,0,0|1,0,0]=4 29815 B12R0.5 CCCCNCCOCCOCC dec6e7c60461bb0f776357500618db5b [0,3,0,0,0,0|0,0,0]=3 29816 B12R0.5 CCCCOCCCCCCC#N 5a3ee0e492dc415089c7f8660af3e4ac [0,3,0,0,0,0|0,0,0]=3 29817 B12R0.5 CCCCOCCCCCCC=O 28134e772868132f33bd474b6dac0ea3 [0,3,0,0,0,0|0,0,0]=3 29818 B12R0.5 CCCCOCCCCCCOC 3ee0c80b2c450c71976bb07bbc615e81 [0,3,0,0,0,0|0,0,0]=3 29819 B12R0.5 CCCCOCCCNC/C=C/Cl c22f5f8b345eab14d816979b0be9b5e3 [0,3,0,0,0,0|0,0,1]=4 29820 B12R0.5 CCCCOCCCNC/C=C\Cl 8858520a0146ce25612b5102cec837d7 [0,3,0,0,0,0|0,0,1]=4 29821 B12R0.5 CCCCOCCCNC/C=C\O 8d834a4bb407bd00d18a72d197226712 [0,3,0,0,0,0|0,0,1]=4 29822 B12R0.5 CCCCOCCCNCCC#N 3623dacbaed526f9f7aff43cccbbfffd [0,3,0,0,0,0|0,0,0]=3 29823 B12R0.5 CCCCOCCCNCCC=O fc71cafa13310c54918322c5933e21e7 [0,3,0,0,0,0|0,0,0]=3 29824 B12R0.5 CCCCOCCCNCCCF da0b15ffc5168954271f7657a40ea80a [0,3,0,0,0,0|0,0,0]=3 29825 B12R0.5 CCCCOCCCNCCCO 580d7f2e945f2682f1df503cd27078f7 [0,3,0,0,0,0|0,0,0]=3 29826 B12R0.5 CCCCOCCCNCCCS 78d42f1ed70bf9fe1412940aa861e762 [0,3,0,0,0,0|0,0,0]=3 29827 B12R0.5 CCCCOCCCNCCOC f43285ce67bcdb27bb4ac1a04e46546c [0,3,0,0,0,0|0,0,0]=3 29828 B12R0.5 CCCCOCCCNCCSC 75867475c70781617c04924c583af2dc [0,3,0,0,0,0|0,0,0]=3 29829 B12R0.5 CCCCOCCCNCOCC ed7415d76ffe9e559e67a1f76c99a763 [0,3,0,0,0,0|0,0,0]=3 29830 B12R0.5 CCCCOCCCNCSC#N b1176cfb9fc10c5067823c18d21e3812 [0,3,0,0,0,0|0,0,1]=4 29831 B12R0.5 CCCCOCCCOC/C=C/Cl 5662777e437c1b1eca24142e7746bc19 [0,3,0,0,0,0|0,0,1]=4 29832 B12R0.5 CCCCOCCCOC/C=C\Cl da24760ace29be323943640d1f264aee [0,3,0,0,0,0|0,0,1]=4 29833 B12R0.5 CCCCOCCCOCCC#N bcc78c12bc0f62ebbfec4f664f299061 [0,3,0,0,0,0|0,0,0]=3 29834 B12R0.5 CCCCOCCCOCCC=O a12555bee0839df09d86d1e022f406d4 [0,3,0,0,0,0|0,0,0]=3 29835 B12R0.5 CCCCOCCCOCCCC c99c7a997dea01129eb8b1e6749a138d [0,3,0,0,0,0|0,0,0]=3 29836 B12R0.5 CCCCOCCCOCCCF 4f4f86c17317ccd5abbdc4d331964036 [0,3,0,0,0,0|0,0,0]=3 29837 B12R0.5 CCCCOCCCOCCCS 8d551f8ebe8723031373d60cae27e0bc [0,3,0,0,0,0|0,0,0]=3 29838 B12R0.5 CCCCOCCCOCCOC da59877bd7a5f9bafd5a8746916e277a [0,3,0,0,0,0|0,0,0]=3 29839 B12R0.5 CCCCOCCCOCCSC c96fbb7826456d89d68cf1bc49cb4cbc [0,3,0,0,0,0|0,0,0]=3 29840 B12R0.5 CCCCOCCCOCOCC 513f7f025db2276f8f9975c228180281 [0,3,0,0,0,0|0,0,0]=3 29841 B12R0.5 CCCCOCCCOCSC#N 70c44d0f52ccf68a21ce578d90103a56 [0,3,0,0,0,0|0,0,1]=4 29842 B12R0.5 CCCCOCCNCC#CCO f242e021b9f64cfcaa9a932d8fc07243 [0,3,0,0,0,0|0,0,1]=4 29843 B12R0.5 CCCCOCCNCCCC#N 8727d443592ed52fd0ccef2bd812021c [0,3,0,0,0,0|0,0,0]=3 29844 B12R0.5 CCCCOCCNCCCC=O 8cfd4960e129755907f5786968356979 [0,3,0,0,0,0|0,0,0]=3 29845 B12R0.5 CCCCOCCNCCCCCl bc827a34c614ee8afd670cb8c17a36d6 [0,3,0,0,0,0|0,0,0]=3 29846 B12R0.5 CCCCOCCNCCCCF 8bf3f86fa68dc7eca06816969b03d07e [0,3,0,0,0,0|0,0,0]=3 29847 B12R0.5 CCCCOCCNCCCCO 2f1e7a605d0c14e0096f169712beb026 [0,3,0,0,0,0|0,0,0]=3 29848 B12R0.5 CCCCOCCNCCCCS addd8ad25b4e2354dbdffff87b84a073 [0,3,0,0,0,0|0,0,0]=3 29849 B12R0.5 CCCCOCCNCCCOC 835de254c00eb40bae1bc940b7362c0c [0,3,0,0,0,0|0,0,0]=3 29850 B12R0.5 CCCCOCCNCCCSC f95e4b671c28ad25fd8bfad6b2c93a52 [0,3,0,0,0,0|0,0,0]=3 29851 B12R0.5 CCCCOCCNCCOCC 9142c6e7c8efac21abdef2ad369a90db [0,3,0,0,0,0|0,0,0]=3 29852 B12R0.5 CCCCOCCNCCSCC c1b333cd61daa4476053e323a72cc59d [0,3,0,0,0,0|0,0,0]=3 29853 B12R0.5 CCCCOCCOCCCC#N 6b79dd730f9fdf85a641c79656f19e19 [0,3,0,0,0,0|0,0,0]=3 29854 B12R0.5 CCCCOCCOCCCC=O 82a03a7f4c43649a32e7def3b78d733f [0,3,0,0,0,0|0,0,0]=3 29855 B12R0.5 CCCCOCCOCCCCF a4176719192c9c28f51e2305524ec916 [0,3,0,0,0,0|0,0,0]=3 29856 B12R0.5 CCCCOCCOCCCCS c32e6eb4e3eebe8a8171ae6ea01bce2f [0,3,0,0,0,0|0,0,0]=3 29857 B12R0.5 CCCCOCCOCCCOC 44073fb67f092ce69cfa3b82b665b029 [0,3,0,0,0,0|0,0,0]=3 29858 B12R0.5 CCCCOCCOCCCSC 802f72e5f089c90da19d0e59aca29449 [0,3,0,0,0,0|0,0,0]=3 29859 B12R0.5 CCCCOCCOCCNC=O 2c06171f99e34667a0ed32fbd0555b17 [0,3,0,0,0,0|0,0,1]=4 29860 B12R0.5 CCCCOCCOCCNCC 31f5125afcb41490fa3c88f3b81cdc84 [0,3,0,0,0,0|0,0,0]=3 29861 B12R0.5 CCCCOCCOCCNCF 777e89646124cd7f101e728c0fdbdb4a [0,3,0,0,0,0|0,0,0]=3 29862 B12R0.5 CCCCOCCOCCNCO 7a220e160ded79cf7a93b2f890b28b82 [0,3,0,0,0,0|0,0,0]=3 29863 B12R0.5 CCCCOCCOCCOC=O fcd37229cc6b6da92cafac7e14a30480 [0,3,0,0,0,0|0,0,1]=4 29864 B12R0.5 CCCCOCCOCCOCC e6eb4042ddfcda990d1aa5fa92585a5b [0,3,0,0,0,0|0,0,0]=3 29865 B12R0.5 CCCCOCCOCCOCF 7a832051e311e0a10fdb0cd23f5bf758 [0,3,0,0,0,0|0,0,0]=3 29866 B12R0.5 CCCCOCCOCCSCC 81a4fb8f308e72901b867824781d0cc1 [0,3,0,0,0,0|0,0,0]=3 29867 B12R0.5 CCCCOCNCCCCC#N 8e5d88bc3c157e1529608a6a0416585a [0,3,0,0,0,0|0,0,0]=3 29868 B12R0.5 CCCCOCNCCCCCCl 7e8ff79f32d92afd07c0e0ea1182d810 [0,3,0,0,0,0|0,0,0]=3 29869 B12R0.5 CCCCOCNCCCCCO defa7e9f951a149bd7d17957e120ee8a [0,3,0,0,0,0|0,0,0]=3 29870 B12R0.5 CCCCOCNCCCCOC 8b5969a76224585592d6378ca9d34185 [0,3,0,0,0,0|0,0,0]=3 29871 B12R0.5 CCCCOCNCCCCSC b5a67bc36d011529052864c23301d9ba [0,3,0,0,0,0|0,0,0]=3 29872 B12R0.5 CCCCOCNCCCOCC 1d2ad51f9becbfd7853e118899319603 [0,3,0,0,0,0|0,0,0]=3 29873 B12R0.5 CCCCOCNCCOCCC 848c8b51b11a8003ea2ccd183e00d81e [0,3,0,0,0,0|0,0,0]=3 29874 B12R0.5 CCCCOCNCCOCCO e288266382f6b3d04656f8de42b6bc8b [0,3,0,0,0,0|0,0,0]=3 29875 B12R0.5 CCCCOCNCCOCCS 9a6582b11ef4208488efa8ad6322ba9d [0,3,0,0,0,0|0,0,0]=3 29876 B12R0.5 CCCCOCNCCSCCO 0148aafbf7486d99c0b228632ef0ad5f [0,3,0,0,0,0|0,0,0]=3 29877 B12R0.5 CCCCOCOCCCCC#N 6ad1344b2d3c43b35b19e4276a954d6e [0,3,0,0,0,0|0,0,0]=3 29878 B12R0.5 CCCCOCOCCCCC=O f9c99706ef724d2fb200847c32505e8a [0,3,0,0,0,0|0,0,0]=3 29879 B12R0.5 CCCCOCOCCCCOC dbb1563665d44c719b37f4a026a295f5 [0,3,0,0,0,0|0,0,0]=3 29880 B12R0.5 CCCCOCOCCCCSC 605c2cfb55e6487e61e792b1b14c64b9 [0,3,0,0,0,0|0,0,0]=3 29881 B12R0.5 CCCCOCOCCCOCC 6ac7315fb3f1cea27977ad7b8d02151a [0,3,0,0,0,0|0,0,0]=3 29882 B12R0.5 CCCCOCOCCCSCC 1ccf8c29a68067c8184689be7d22023b [0,3,0,0,0,0|0,0,0]=3 29883 B12R0.5 CCCCOCOCCOCC=O f22bb0d78615f2656ce81546a6f1d8b3 [0,3,0,0,0,0|0,0,1]=4 29884 B12R0.5 CCCCOCOCCOCCC 75c857a921d2efebb65d253910dd2870 [0,3,0,0,0,0|0,0,0]=3 29885 B12R0.5 CCCCOCOCCOCCF f9d59feb6b010c36576942321ecfee55 [0,3,0,0,0,0|0,0,0]=3 29886 B12R0.5 CCCCOCOCCOCCS 6d23f7eb07901d533fdae912304bbad8 [0,3,0,0,0,0|0,0,0]=3 29887 B12R0.5 CCCCOCOCCSCCC 5fdb8523cfcfe029410f1ec05bebb472 [0,3,0,0,0,0|0,0,0]=3 29888 B12R0.5 CCCCSCCOCCCC#N af1b46759246533a82f7c3c0f2d741a8 [0,3,0,0,0,0|0,0,1]=4 29889 B12R0.5 CCCCSCCOCCCC=O fc72bdc68f1965be379aeab5836e6f17 [0,3,0,0,0,0|0,0,1]=4 29890 B12R0.5 CCCCSCCOCCCCF 82dd4824a23c602c4d353a3dac2e1a88 [0,3,0,0,0,0|0,0,0]=3 29891 B12R0.5 CCCCSCCOCCCOC 4bd90f8a455041b681d4405268ce7e5d [0,3,0,0,0,0|0,0,0]=3 29892 B12R0.5 CCCCSCCOCCCSC 5c8b28079bcccac64c9ab317870ddb57 [0,3,0,0,0,0|0,0,0]=3 29893 B12R0.5 CCCCSCCOCCOCC a9e213f5639704d1b7b3ce9ee367e09b [0,3,0,0,0,0|0,0,0]=3 29894 B12R0.5 CCCCSCCOCCSCC fed87b0cf2f5cb68c8ababe69e29115c [0,3,0,0,0,0|0,0,0]=3 29895 B12R0.5 CCCNCCCCCCCCO 279ada66be00ef395989c37c06ec9911 [0,3,0,0,0,0|1,0,0]=4 29896 B12R0.5 CCCNCCCCOCCOC ade22b0c8eca50e4771799340f2c8615 [0,3,0,0,0,0|1,0,0]=4 29897 B12R0.5 CCCNCCOCCOCC=O 76ef69496c1f1a92d8a0c465c7417e79 [0,3,0,0,0,0|0,0,1]=4 29898 B12R0.5 CCCNCCOCCOCCF a0d03b925811015549cd1da6387b2e1b [0,3,0,0,0,0|0,0,0]=3 29899 B12R0.5 CCCNCCOCCOCCO da6a3ef02a798c22146f776de2d3a4a6 [0,3,0,0,0,0|0,0,0]=3 29900 B12R0.5 CCCOCCCNCCCCCl 3aa00aa8465376110386c6aa6b6d9e37 [0,3,0,0,0,0|1,0,0]=4 29901 B12R0.5 CCCOCCCNCCCCF f37a53f772b53233114f787ad99bc4ff [0,3,0,0,0,0|1,0,0]=4 29902 B12R0.5 CCCOCCCNCCCCO 4f33af16a5fe959f6bd1998e8c4b3596 [0,3,0,0,0,0|1,0,0]=4 29903 B12R0.5 CCCOCCCNCCCCS ba83fe1282e02e9efaaf7110374e8040 [0,3,0,0,0,0|1,0,0]=4 29904 B12R0.5 CCCOCCCNCCCOC b2b978e30907062cd9c9de158f81adc6 [0,3,0,0,0,0|1,0,0]=4 29905 B12R0.5 CCCOCCCNCCCSC eee37789e1a3079e308174fe4ac050e5 [0,3,0,0,0,0|1,0,0]=4 29906 B12R0.5 CCCOCCCNCCOCC bc9c9ee6ea956e5b93590e86bfb03367 [0,3,0,0,0,0|1,0,0]=4 29907 B12R0.5 CCCOCCCNCCSCC 293cb94b314eefc390343e4399ef3f61 [0,3,0,0,0,0|1,0,0]=4 29908 B12R0.5 CCCOCCCOCCCC#N 1cf982d25633eae2cbf1a4f25cac49d5 [0,3,0,0,0,0|0,0,1]=4 29909 B12R0.5 CCCOCCCOCCCC=O a3792f78e8c5e37a194b415697c086dd [0,3,0,0,0,0|0,0,1]=4 29910 B12R0.5 CCCOCCCOCCCCF a6e3286207bb6af21bb24af04e363a59 [0,3,0,0,0,0|0,0,0]=3 29911 B12R0.5 CCCOCCCOCCCCS 499fa19348ed0e43e8c7ed5281921b28 [0,3,0,0,0,0|0,0,0]=3 29912 B12R0.5 CCCOCCCOCCCOC 3058258111e53d47a2c989be0b04329d [0,3,0,0,0,0|0,0,0]=3 29913 B12R0.5 CCCOCCCOCCCSC efd14fb59fde28f608896f86e5a705a3 [0,3,0,0,0,0|0,0,0]=3 29914 B12R0.5 CCCOCCCOCCOCC cf47d408303d895c7da133943c1d60b5 [0,3,0,0,0,0|0,0,0]=3 29915 B12R0.5 CCCOCCCOCCSCC ecd10272decf0b4f2ed0cc64b32be13c [0,3,0,0,0,0|0,0,0]=3 29916 B12R0.5 CCCOCCNCCCCC#N b76db2d0bb915c4778fa72ca07ced103 [0,3,0,0,0,0|1,0,0]=4 29917 B12R0.5 CCCOCCNCCCCC=O 2da96110958816acdaaee43eba4ae428 [0,3,0,0,0,0|1,0,0]=4 29918 B12R0.5 CCCOCCNCCCCCCl c0c6b44c390a5d75f4db36a46aad45f2 [0,3,0,0,0,0|1,0,0]=4 29919 B12R0.5 CCCOCCNCCCCCF b65fbe99eeeb13b070961266c807b4ef [0,3,0,0,0,0|1,0,0]=4 29920 B12R0.5 CCCOCCNCCCCCO c879bb31653c4e57bfa1fd2c13ebee62 [0,3,0,0,0,0|1,0,0]=4 29921 B12R0.5 CCCOCCNCCCCOC bd09180401d5d4ef664373846d513acb [0,3,0,0,0,0|1,0,0]=4 29922 B12R0.5 CCCOCCNCCCCON 92a7e0ead3af08958e62cdae8cca55a8 [0,3,0,0,0,0|1,0,0]=4 29923 B12R0.5 CCCOCCNCCCCSC 28ac7264588a13e8d591aa06f16a432d [0,3,0,0,0,0|1,0,0]=4 29924 B12R0.5 CCCOCCNCCCOCC 5bc2e94ee9e4f99420e5a7a87ca1f807 [0,3,0,0,0,0|1,0,0]=4 29925 B12R0.5 CCCOCCNCCCSCC 0a798ffe6c1ee6ff8320b91fb883cfe9 [0,3,0,0,0,0|1,0,0]=4 29926 B12R0.5 CCCOCCNCCOCCC 23fac63a571de46a153318443ef20f70 [0,3,0,0,0,0|1,0,0]=4 29927 B12R0.5 CCCOCCNCCOCCO 5f0a7f256d1a3c35a74fde85f073af47 [0,3,0,0,0,0|1,0,0]=4 29928 B12R0.5 CCCOCCNCCOCCS 71d6c2b3d82a545e080d238dbb9e83af [0,3,0,0,0,0|1,0,0]=4 29929 B12R0.5 CCCOCCNCCOCOC 477288b68dc5a5f15c931680b495a95e [0,3,0,0,0,0|1,0,0]=4 29930 B12R0.5 CCCOCCNCCSCCO 7339a9e84c0ae578649f736199b1d69c [0,3,0,0,0,0|1,0,0]=4 29931 B12R0.5 CCCOCCNCOCCOC 3c32c2c38943c0a5b785f6b4b91a2d7f [0,3,0,0,0,0|1,0,0]=4 29932 B12R0.5 CCCOCCOCC#CCOC f7bda4d1319357f4b4dce94b833eccd8 [0,3,0,0,0,0|0,0,1]=4 29933 B12R0.5 CCCOCCOCCCCC#N 8e2c91647170ce4843dec2cf003a27f5 [0,3,0,0,0,0|0,0,0]=3 29934 B12R0.5 CCCOCCOCCCCC=O 99a73c6a4ef87248c57193e8d7cba99c [0,3,0,0,0,0|0,0,0]=3 29935 B12R0.5 CCCOCCOCCCCCF 8f0b4639ad709cf0b7f01b11e502baec [0,3,0,0,0,0|0,0,0]=3 29936 B12R0.5 CCCOCCOCCCCOC 73b6d07411dba34c76203e9b157eb183 [0,3,0,0,0,0|0,0,0]=3 29937 B12R0.5 CCCOCCOCCCCSC 2c05030e071ec99c0fffe0bef9e0deb2 [0,3,0,0,0,0|0,0,0]=3 29938 B12R0.5 CCCOCCOCCCOCC 3bb298a200e6a5aa3f85f156a6c05777 [0,3,0,0,0,0|0,0,0]=3 29939 B12R0.5 CCCOCCOCCCSCC 01cf0f6f5447134a3dc383dfcc0f8b8c [0,3,0,0,0,0|0,0,0]=3 29940 B12R0.5 CCCOCCOCCOCC#N 1b4f292669888205a7b9b836e06f83d9 [0,3,0,0,0,0|0,0,1]=4 29941 B12R0.5 CCCOCCOCCOCC=O 1b01d7447111e36c6a2e7877a9eeaa68 [0,3,0,0,0,0|0,0,1]=4 29942 B12R0.5 CCCOCCOCCOCCC 0f6b404ac113ed49d29c30f3a81832fe [0,3,0,0,0,0|0,0,0]=3 29943 B12R0.5 CCCOCCOCCOCCF 34502b3dcb63e9b1f56b9763fdb492e0 [0,3,0,0,0,0|0,0,0]=3 29944 B12R0.5 CCCOCCOCCOCCS 5daba2bdbaf0ad6c0f13c7e944bcc8cf [0,3,0,0,0,0|0,0,0]=3 29945 B12R0.5 CCCOCCOCCOCOC 2b2570d5cfa0cbb6d70b6e2aa86415f3 [0,3,0,0,0,0|0,0,0]=3 29946 B12R0.5 CCCOCCOCCSCCC a9b03e4de1ea228b84342b8753b0d1fb [0,3,0,0,0,0|0,0,0]=3 29947 B12R0.5 CCCOCCOCOCCOC fee4255cf53a74c4bfca959ca88a6a15 [0,3,0,0,0,0|0,0,0]=3 29948 B12R0.5 CCCSCCCCNCCCF 397b48dec4ed8b8164469db2ea904d16 [0,3,0,0,0,0|1,0,0]=4 29949 B12R0.5 CCCSCCCCNCCCO 44cd542a6e9b5cdbb0ace543d6cc079b [0,3,0,0,0,0|1,0,0]=4 29950 B12R0.5 CCCSCCCCNCCCS e49098f92523f4dd2c6264a5789fef3f [0,3,0,0,0,0|1,0,0]=4 29951 B12R0.5 CCCSCCCCNCCOC 7f01e8608b5f9d92019ad655114cb397 [0,3,0,0,0,0|1,0,0]=4 29952 B12R0.5 CCCSCCCCNCCSC 569645f443528801c3bdea7a2431d75d [0,3,0,0,0,0|1,0,0]=4 29953 B12R0.5 CCCSCCCCNCOCC 39007592b3d1ab0793f1c6b7162ad729 [0,3,0,0,0,0|1,0,0]=4 29954 B12R0.5 CCCSCCOCC#CCOC 453216c025413654d0200f2ef3951759 [0,3,0,0,0,0|0,0,1]=4 29955 B12R0.5 CCCSCCOCCCCC#N cc895b6b936c122cf2b1f141d950b7d4 [0,3,0,0,0,0|0,0,0]=3 29956 B12R0.5 CCCSCCOCCCCC=O f5d1cdcc1d12f65df6a1b2605af32db6 [0,3,0,0,0,0|0,0,0]=3 29957 B12R0.5 CCCSCCOCCCCCF f1d3b18ae5d4b532c6551fa7dcc164c4 [0,3,0,0,0,0|0,0,0]=3 29958 B12R0.5 CCCSCCOCCCCOC be9958d7710a1d2f34384ef03e6fd5b0 [0,3,0,0,0,0|0,0,0]=3 29959 B12R0.5 CCCSCCOCCCOCC f4334654197c656dd607ac71482c74e8 [0,3,0,0,0,0|0,0,0]=3 29960 B12R0.5 CCCSCCOCCCSCC eaa45b6d9a8e975fa4d9c759db3f69e4 [0,3,0,0,0,0|0,0,0]=3 29961 B12R0.5 CCCSCCOCCOCC#N d52be37eb1472e616786f147e4d6f300 [0,3,0,0,0,0|0,0,1]=4 29962 B12R0.5 CCCSCCOCCOCC=O 0f06fb27d3704a96724ee1b5da4493e8 [0,3,0,0,0,0|0,0,1]=4 29963 B12R0.5 CCCSCCOCCOCOC 13f7723a27b46314ecb00bbced761d8f [0,3,0,0,0,0|0,0,0]=3 29964 B12R0.5 CCCSCCOCOCCOC 32f35bb9e3e641240bc3904baf40e7fe [0,3,0,0,0,0|0,0,0]=3 29965 B12R0.5 CCNCCCCCCCCCO 17ffd1ad26e170da0244f3c11bf0a9ee [0,3,0,0,0,0|1,0,0]=4 29966 B12R0.5 CCNCCCOCCOCCO 7624d0344813c2913f06c6c5d0fd171f [0,3,0,0,0,0|0,0,0]=3 29967 B12R0.5 CCNCCOCCOCCOC c01bd5e7a85edde7f059e6a7f328f739 [0,3,0,0,0,0|0,0,0]=3 29968 B12R0.5 CCNCCOCCOCCON c2250c85d8a67dd2107d043363f7d142 [0,3,0,0,0,0|1,0,0]=4 29969 B12R0.5 CCOCCCCCCCCCS 2d856351af3147dacb02f41de2264a48 [0,3,0,0,0,0|1,0,0]=4 29970 B12R0.5 CCOCCCNCCCCC#N 303e57a468291c6f04d3776294c6c1f7 [0,3,0,0,0,0|1,0,0]=4 29971 B12R0.5 CCOCCCNCCCCC=O 734f0af3d21812ff67e29e5a1fa3fabb [0,3,0,0,0,0|1,0,0]=4 29972 B12R0.5 CCOCCCNCCCCCCl 579f4d5221adbf1440b6f7c4e74a2e0d [0,3,0,0,0,0|1,0,0]=4 29973 B12R0.5 CCOCCCNCCCCCF e21b356e4a4b6f18237aa946b6bf3c1b [0,3,0,0,0,0|1,0,0]=4 29974 B12R0.5 CCOCCCNCCCCCO 8d9b1113daaf57436512415ae024f1d9 [0,3,0,0,0,0|1,0,0]=4 29975 B12R0.5 CCOCCCNCCCCOC c6f791efd18a015bc039d01651856025 [0,3,0,0,0,0|1,0,0]=4 29976 B12R0.5 CCOCCCNCCCCON 31fa2359e4ec309cdab1c4d05b1d41b6 [0,3,0,0,0,0|1,0,0]=4 29977 B12R0.5 CCOCCCNCCCCSC ec94663fbcd851015168c685a42effee [0,3,0,0,0,0|1,0,0]=4 29978 B12R0.5 CCOCCCNCCCOCC 9d75b816a598757fb7fb7bc1096eaa1a [0,3,0,0,0,0|1,0,0]=4 29979 B12R0.5 CCOCCCNCCCSCC bd6b2475fec926e97f4c5f8b946cde36 [0,3,0,0,0,0|1,0,0]=4 29980 B12R0.5 CCOCCCNCCOCCO 2b86c1d582286444e3ff5e5cf2e03c57 [0,3,0,0,0,0|1,0,0]=4 29981 B12R0.5 CCOCCCNCCOCCS 0c24eb615ca03b94aa159f9c74cb3027 [0,3,0,0,0,0|1,0,0]=4 29982 B12R0.5 CCOCCCNCCOCOC 78b55d1fb315b405fad84c392e22aaa2 [0,3,0,0,0,0|1,0,0]=4 29983 B12R0.5 CCOCCCNCCSCCO ef5221fe057c7da283fc2af47cafe5b3 [0,3,0,0,0,0|1,0,0]=4 29984 B12R0.5 CCOCCCNCOCCOC 937b3bff0f208135bd90c9a6e601478f [0,3,0,0,0,0|1,0,0]=4 29985 B12R0.5 CCOCCCOCC#CCOC ac28f72a9e6d26e73c0b194a2e70aa25 [0,3,0,0,0,0|0,0,1]=4 29986 B12R0.5 CCOCCCOCCCCC#N 5dd5776f0b86a905a85696c5f6562468 [0,3,0,0,0,0|0,0,0]=3 29987 B12R0.5 CCOCCCOCCCCC=O b3d7c7da518a24858e059f51aefb4e1b [0,3,0,0,0,0|0,0,0]=3 29988 B12R0.5 CCOCCCOCCCCCF 7bc7b40d6f45aff53270181636781183 [0,3,0,0,0,0|0,0,0]=3 29989 B12R0.5 CCOCCCOCCCCOC 714f5cd7a55ebc1d609e18c0baf9ff88 [0,3,0,0,0,0|0,0,0]=3 29990 B12R0.5 CCOCCCOCCCCSC 1f91755296f87783f31e5379da4f1e08 [0,3,0,0,0,0|0,0,0]=3 29991 B12R0.5 CCOCCCOCCCOCC 4ad8e62cc353d293e0fc381728418bfd [0,3,0,0,0,0|0,0,0]=3 29992 B12R0.5 CCOCCCOCCCSCC 9de7d2575478514f8764e1c71a90a3ec [0,3,0,0,0,0|0,0,0]=3 29993 B12R0.5 CCOCCCOCCOCC#N 8f00e0180d56e5b5b374c582280f7cf4 [0,3,0,0,0,0|0,0,1]=4 29994 B12R0.5 CCOCCCOCCOCC=O ed427d39fd03b92dba679ac99f31a2fb [0,3,0,0,0,0|0,0,1]=4 29995 B12R0.5 CCOCCCOCCOCCF 5ccc48a44742bcb6a51b4c1e4a859d4f [0,3,0,0,0,0|0,0,0]=3 29996 B12R0.5 CCOCCCOCCOCCS f0196a1abcace89de3c6eca353e6f714 [0,3,0,0,0,0|0,0,0]=3 29997 B12R0.5 CCOCCCOCCOCOC 9b76bd2feb47e303c3e4963347ca1515 [0,3,0,0,0,0|0,0,0]=3 29998 B12R0.5 CCOCCCOCOCCOC a26c0cdc3885eed40e183275fbe76103 [0,3,0,0,0,0|0,0,0]=3 29999 B12R0.5 CCOCCNCCCCCC#N bebabee9999fc1cd3d4259d399199362 [0,3,0,0,0,0|1,0,0]=4 30000 B12R0.5 CCOCCNCCCCCC=O 81e918be13e1a06bbca8f2f7e60cd2b4 [0,3,0,0,0,0|1,0,0]=4 30001 B12R0.5 CCOCCNCCCCCCCl cd4bcc8a28c83eded0fd75d6e713e255 [0,3,0,0,0,0|1,0,0]=4 30002 B12R0.5 CCOCCNCCCCCCF 008aa25683fb363ae1e4af5ae7c8d03d [0,3,0,0,0,0|1,0,0]=4 30003 B12R0.5 CCOCCNCCCCCCO 1468786e24e6d09236eb2eb908dd3400 [0,3,0,0,0,0|1,0,0]=4 30004 B12R0.5 CCOCCNCCCCCOC 1499548fb6662bc37af6b10c7183fa73 [0,3,0,0,0,0|1,0,0]=4 30005 B12R0.5 CCOCCNCCCCSCC a14d6b94de840a0dc58676c96fe77b22 [0,3,0,0,0,0|1,0,0]=4 30006 B12R0.5 CCOCCNCCCOCCO 2b510493b6d0d3f25043ae2ab19aa1d7 [0,3,0,0,0,0|1,0,0]=4 30007 B12R0.5 CCOCCNCCOCCCO da15e5c82b32407dc7fbe73e2b2862b3 [0,3,0,0,0,0|1,0,0]=4 30008 B12R0.5 CCOCCNCCOCCOC 0b6408741c0486683a69ab62b15be0fb [0,3,0,0,0,0|1,0,0]=4 30009 B12R0.5 CCOCCOCCCCCC#N 6ff0a2f08773dcb001c2865d3ff30da0 [0,3,0,0,0,0|0,0,0]=3 30010 B12R0.5 CCOCCOCCCCCC=O 48a23b64265ed8af5f6bc5e6020d4653 [0,3,0,0,0,0|0,0,0]=3 30011 B12R0.5 CCOCCOCCCCCCF 0a708f4e86af3147295abd4f353cc49c [0,3,0,0,0,0|0,0,0]=3 30012 B12R0.5 CCOCCOCCCCCCS 87bc61f6d765761e230fe07ec7283371 [0,3,0,0,0,0|0,0,0]=3 30013 B12R0.5 CCOCCOCCCCCOC b2fc9f7aba9f1aa724827b54ec8f4301 [0,3,0,0,0,0|0,0,0]=3 30014 B12R0.5 CCOCCOCCCOCC#N 6ce0ac1f79e6db31239525fc5162f4f4 [0,3,0,0,0,0|0,0,1]=4 30015 B12R0.5 CCOCCOCCNCCC#N 4b6baa640d81532db62e3f7c2e57e191 [0,3,0,0,0,0|0,0,1]=4 30016 B12R0.5 CCOCCOCCNCCC=O 4fb28f20b15b2d60d749aff72ab9c423 [0,3,0,0,0,0|0,0,1]=4 30017 B12R0.5 CCOCCOCCNCCCCl eabc4f6e33d876ec0f74d5465a0805ee [0,3,0,0,0,0|0,0,0]=3 30018 B12R0.5 CCOCCOCCNCCCF 70a2184b63e3c737eab6337f10b167ad [0,3,0,0,0,0|0,0,0]=3 30019 B12R0.5 CCOCCOCCNCCCO be1346ff5e9aeab140c47cfb051b83c5 [0,3,0,0,0,0|0,0,0]=3 30020 B12R0.5 CCOCCOCCNCCCS 325909fe3912ffe097f93c5761df1be0 [0,3,0,0,0,0|0,0,0]=3 30021 B12R0.5 CCOCCOCCNCCOC 3aa614e39c6b2ac2be68291ec70a7a28 [0,3,0,0,0,0|0,0,0]=3 30022 B12R0.5 CCOCCOCCNCCON 61402eaf3cbef086238452035ea6cec0 [0,3,0,0,0,0|1,0,0]=4 30023 B12R0.5 CCOCCOCCNCCSC 6b25054ff4c2d38cd75f0da3819a8e09 [0,3,0,0,0,0|0,0,0]=3 30024 B12R0.5 CCOCCOCCNCOCC 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78d58bde84c81be01070664f69598df5 [0,3,0,0,0,0|1,0,0]=4 30037 B12R0.5 CCOCOCCCOCCC#N 78cd7d5f2dc9b5b8680d41a68f85df52 [0,3,0,0,0,0|1,0,0]=4 30038 B12R0.5 CCOCOCCCOCCOC 68ebfdfceb98b188a8296cb16efcc418 [0,3,0,0,0,0|1,0,0]=4 30039 B12R0.5 CCSCCCCNCCCCF 40349cb78b4addbd14b297d929beafbd [0,3,0,0,0,0|1,0,0]=4 30040 B12R0.5 CCSCCCCNCCCCO c362aea032ee11b431dc2d4620e2afbb [0,3,0,0,0,0|1,0,0]=4 30041 B12R0.5 CCSCCCCNCCCOC f7057f508ad0b678a18e9e8b7e087c4b [0,3,0,0,0,0|1,0,0]=4 30042 B12R0.5 CCSCCCCNCCCSC f257a3f97e34711c1021abf960d8d37e [0,3,0,0,0,0|1,0,0]=4 30043 B12R0.5 CCSCCCCNCCSCC db2f1bb2c4ebc967a9b419a461f3db1e [0,3,0,0,0,0|1,0,0]=4 30044 B12R0.5 CCSCCCNCCCCC#N 39e964c0740cff1b0c65bafaf1e8c43e [0,3,0,0,0,0|1,0,0]=4 30045 B12R0.5 CCSCCCNCCCCCCl 3e9113fb726a68955a56032455e3d387 [0,3,0,0,0,0|1,0,0]=4 30046 B12R0.5 CCSCCCNCCCCCO c35708cc058f44ed102ece55683e281e [0,3,0,0,0,0|1,0,0]=4 30047 B12R0.5 CCSCCCNCCCCOC 719ef2633839ea458c4163c74dd5b6df [0,3,0,0,0,0|1,0,0]=4 30048 B12R0.5 CCSCCCNCCCCSC 1fd084863d9bfaa4e7e3ead4dd642d52 [0,3,0,0,0,0|1,0,0]=4 30049 B12R0.5 CCSCCCNCCOCCO b6439fa94ff84d31c48cbb98cfe5c2d8 [0,3,0,0,0,0|1,0,0]=4 30050 B12R0.5 CCSCCCNCCOCCS 9e7983347915c1865752d3867cd5f0dc [0,3,0,0,0,0|1,0,0]=4 30051 B12R0.5 CCSCCCNCCSCCO 404629a95cce5aa6d08a4d654724ed04 [0,3,0,0,0,0|1,0,0]=4 30052 B12R0.5 CCSCCCOCCCCC#N 0b75fcd172ba799ef7590367ba99effe [0,3,0,0,0,0|0,0,0]=3 30053 B12R0.5 CCSCCCOCCCCC=O 1bb0c72b7686edda1d149a15030d0b25 [0,3,0,0,0,0|0,0,0]=3 30054 B12R0.5 CCSCCCOCCCCCF 8ca97fca35ebc7ad028c6f730e6b5567 [0,3,0,0,0,0|0,0,0]=3 30055 B12R0.5 CCSCCCOCCCCOC bc0155fd7fb658fb4bcf7dd9821f9f51 [0,3,0,0,0,0|0,0,0]=3 30056 B12R0.5 CCSCCCOCCCCSC f43d242d5665d7d11a3bc0983e4f357c [0,3,0,0,0,0|0,0,0]=3 30057 B12R0.5 CCSCCCOCCCSCC cb00f684627b65a0ab4f38bf9bdf5e3c [0,3,0,0,0,0|0,0,0]=3 30058 B12R0.5 CCSCCCOCCOCC#N 3f671ba005122164695a4a97f0fb1979 [0,3,0,0,0,0|0,0,1]=4 30059 B12R0.5 CCSCCCOCCOCC=O 404c16583c9a620051eb12b1186af12c [0,3,0,0,0,0|0,0,1]=4 30060 B12R0.5 CCSCCCOCCOCCF 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COCCCCCCNCCCO 3d91a7e85288f0f7ac147fa4e1d46f05 [0,3,0,0,0,0|1,0,0]=4 30085 B12R0.5 COCCCCCCNCCOC 49fb1c9e117459609f13d01be521beca [0,3,0,0,0,0|1,0,0]=4 30086 B12R0.5 COCCCCCCNCCSC c25d9482ed14c0890c20c8a475344db3 [0,3,0,0,0,0|1,0,0]=4 30087 B12R0.5 COCCCCCCOCCCF f4bb9046bee3b983784f9c67fb9a65a7 [0,3,0,0,0,0|1,0,0]=4 30088 B12R0.5 COCCCCCCOCCCS 12157719de6dbfdfeb83eb07a387e0ae [0,3,0,0,0,0|1,0,0]=4 30089 B12R0.5 COCCCCCCOCCOC 1fe492c258b33996c2579cca8e27acaa [0,3,0,0,0,0|1,0,0]=4 30090 B12R0.5 COCCCCCCOCCSC 33f371b68ad876f148c8884940f040ef [0,3,0,0,0,0|1,0,0]=4 30091 B12R0.5 COCCCCCNCCCCCl e5c67a747df2deaedc6542f69b28d897 [0,3,0,0,0,0|1,0,0]=4 30092 B12R0.5 COCCCCCNCCCCF 1a009b552f26de63629656bbefc461c8 [0,3,0,0,0,0|1,0,0]=4 30093 B12R0.5 COCCCCCNCCCCO 7f0ee4ff4b837f1a998843ba0f941235 [0,3,0,0,0,0|1,0,0]=4 30094 B12R0.5 COCCCCCNCCCCS 16059f9c8ec425ae0b02a811fc65641b [0,3,0,0,0,0|1,0,0]=4 30095 B12R0.5 COCCCCCNCCCOC 81d2d776633bc1d03397ba4cd47757d3 [0,3,0,0,0,0|1,0,0]=4 30096 B12R0.5 COCCCCCNCCCSC 3ee5b44c3b0c02344afa8e2d0edefa2d [0,3,0,0,0,0|1,0,0]=4 30097 B12R0.5 COCCCCCOCCCC#N 6f37897c2e6232b6106a47b9de5c778f [0,3,0,0,0,0|0,0,1]=4 30098 B12R0.5 COCCCCCOCCCC=O 6ef2d3010edf1e9d099a1cba879a257c [0,3,0,0,0,0|0,0,1]=4 30099 B12R0.5 COCCCCCOCCCCF 510e3e2808e4a92f898ede4152afbbba [0,3,0,0,0,0|0,0,0]=3 30100 B12R0.5 COCCCCCOCCCCS 27b3864520ced449dd5064126a9a87ea [0,3,0,0,0,0|0,0,0]=3 30101 B12R0.5 COCCCCCOCCCOC ca9ccb076a13b227722874de6cbabcea [0,3,0,0,0,0|0,0,0]=3 30102 B12R0.5 COCCCCCOCCCSC 5e1d36782f3b2ee85e120f1c0ff90547 [0,3,0,0,0,0|0,0,0]=3 30103 B12R0.5 COCCCCNCCCCC#N 0cedcb1feab49d4b985cfaea3c1815c1 [0,3,0,0,0,0|1,0,0]=4 30104 B12R0.5 COCCCCNCCCCC=O 4ba07b88d101e960bb562ca9948644a5 [0,3,0,0,0,0|1,0,0]=4 30105 B12R0.5 COCCCCNCCCCCCl 1c1a7fb79a5c2e65bc2214487796ef8d [0,3,0,0,0,0|1,0,0]=4 30106 B12R0.5 COCCCCNCCCCCF 52caaa098b029ed58aebc4d5d0a74362 [0,3,0,0,0,0|1,0,0]=4 30107 B12R0.5 COCCCCNCCCCCO ae303027e96ebe9aee99b480da36f27d [0,3,0,0,0,0|1,0,0]=4 30108 B12R0.5 COCCCCNCCCCOC e15f43955621c9c3e548d7101f348e5d [0,3,0,0,0,0|1,0,0]=4 30109 B12R0.5 COCCCCNCCCCON 26d07f9504807b96e87276117323772a [0,3,0,0,0,0|1,0,0]=4 30110 B12R0.5 COCCCCNCCCCSC 7255e8e1a3e1e4b382aa99dafe8bc7ed [0,3,0,0,0,0|1,0,0]=4 30111 B12R0.5 COCCCCNCCOCCO a5121b69925aaa2cf42a75f8183ed87e [0,3,0,0,0,0|1,0,0]=4 30112 B12R0.5 COCCCCNCCOCCS 50d7667f6cea3933f4aeb04fad0a9870 [0,3,0,0,0,0|1,0,0]=4 30113 B12R0.5 COCCCCNCCOCOC 0896bc9c6b10a1e72e9d81123d1c28fb [0,3,0,0,0,0|1,0,0]=4 30114 B12R0.5 COCCCCNCCSCCO e96ea41fdceb3eda17c3cd1baa9fa796 [0,3,0,0,0,0|1,0,0]=4 30115 B12R0.5 COCCCCNCOCCOC afab6fddb8b3c8519d4b43d5a017f0dd [0,3,0,0,0,0|1,0,0]=4 30116 B12R0.5 COCCCCOCCCCC#N 92b076554f1dd08f90da56ffbbe48686 [0,3,0,0,0,0|0,0,0]=3 30117 B12R0.5 COCCCCOCCCCC=O 5e2b92b53ef57b21a0a8dfac9ff5e550 [0,3,0,0,0,0|0,0,0]=3 30118 B12R0.5 COCCCCOCCCCCF ed1f2d1c17e0d5387244249f2c203c74 [0,3,0,0,0,0|0,0,0]=3 30119 B12R0.5 COCCCCOCCCCOC 5ce88a30a9eb5363cc8f4488a160b41b [0,3,0,0,0,0|0,0,0]=3 30120 B12R0.5 COCCCCOCCCCSC 75a76c3ce78a2dc573572f98673cce6d [0,3,0,0,0,0|0,0,0]=3 30121 B12R0.5 COCCCCOCCOCC#N 497b50a134c0d6fc029a5d27c21accc9 [0,3,0,0,0,0|0,0,1]=4 30122 B12R0.5 COCCCCOCCOCC=O c293b751f1674ffe888aec0aaf2bdbb0 [0,3,0,0,0,0|0,0,1]=4 30123 B12R0.5 COCCCCOCCOCCF 8ea02abfe11ddc9a22e5a0e8dbd7e804 [0,3,0,0,0,0|0,0,0]=3 30124 B12R0.5 COCCCCOCCOCCS abb8d3f7a3488cfaa220ea2173519e83 [0,3,0,0,0,0|0,0,0]=3 30125 B12R0.5 COCCCCOCCOCOC 6d7c37821ed317eb301802b7e7196af9 [0,3,0,0,0,0|0,0,0]=3 30126 B12R0.5 COCCCCOCOCCOC 5b6a5f9eb01ef7487524db79a47da5e7 [0,3,0,0,0,0|0,0,0]=3 30127 B12R0.5 COCCCNCCCCCC#N 649d46201777676ded80295b23f38f49 [0,3,0,0,0,0|1,0,0]=4 30128 B12R0.5 COCCCNCCCCCC=O 48eb365d075f7597a04697d25a816387 [0,3,0,0,0,0|1,0,0]=4 30129 B12R0.5 COCCCNCCCCCCCl a9d2ffd8e8dfd29aefadfb18f4b1a615 [0,3,0,0,0,0|1,0,0]=4 30130 B12R0.5 COCCCNCCCCCCF 41b4380f319c44e80a7a8dcc65cdea25 [0,3,0,0,0,0|1,0,0]=4 30131 B12R0.5 COCCCNCCCCCCO 9d2f4708b78ac09b08797eb1334bed5d [0,3,0,0,0,0|1,0,0]=4 30132 B12R0.5 COCCCNCCCOCCO d4a31c01debe114b3d9c0b34f4490e04 [0,3,0,0,0,0|1,0,0]=4 30133 B12R0.5 COCCCNCCOCCCO 4fa33bafb4906ec18154aaf6ea5b8898 [0,3,0,0,0,0|1,0,0]=4 30134 B12R0.5 COCCCNCCOCCOC 54676643f347901db111c91d3f064c3a [0,3,0,0,0,0|1,0,0]=4 30135 B12R0.5 COCCCOCCCCCC#N 624f5266b8abbf37f2bddf914ffcd7af [0,3,0,0,0,0|0,0,0]=3 30136 B12R0.5 COCCCOCCCCCC=O 4be502b8ea2b5289249b2c0ac3661e6a [0,3,0,0,0,0|0,0,0]=3 30137 B12R0.5 COCCCOCCCCCCF 6f1391a480d3be2628df961040858e66 [0,3,0,0,0,0|0,0,0]=3 30138 B12R0.5 COCCCOCCCCCCS 76305be8307e618aaff71fff4a2d8adf [0,3,0,0,0,0|0,0,0]=3 30139 B12R0.5 COCCCOCCCOCC#N 55f235e08167cfb372904752074b28e2 [0,3,0,0,0,0|0,0,1]=4 30140 B12R0.5 COCCCOCCCOCC=O b2b7ce578df6a337d60e9a943fa3e708 [0,3,0,0,0,0|0,0,1]=4 30141 B12R0.5 COCCCOCCCOCCF 58307894417402c47ffd494863602ddb [0,3,0,0,0,0|0,0,0]=3 30142 B12R0.5 COCCCOCCCOCCS c4859038435a0d3ff82595506def4182 [0,3,0,0,0,0|0,0,0]=3 30143 B12R0.5 COCCCOCCCOCOC a14b932616728b739414cdede2f0ee5c [0,3,0,0,0,0|0,0,0]=3 30144 B12R0.5 COCCCOCCCOCSC e0be2d5d17778129173e5c3a5a2c0a66 [0,3,0,0,0,0|0,0,0]=3 30145 B12R0.5 COCCCOCCOCCC#N ca842c394ffeec8fb1ab981893c3f241 [0,3,0,0,0,0|0,0,1]=4 30146 B12R0.5 COCCCOCCOCCOC e33dd57d4d908f1ad5f7d96f466c6a7d [0,3,0,0,0,0|0,0,0]=3 30147 B12R0.5 COCCNCCCCCCCO 165375447d09183dedbfa9cd5ce1810b [0,3,0,0,0,0|1,0,0]=4 30148 B12R0.5 COCCNCCCOCCCO b34790e8a4caac7d66306dc4b2feb6c9 [0,3,0,0,0,0|1,0,0]=4 30149 B12R0.5 COCCNCCCOCCOC 7872a92421eac954813c840b237eab3c [0,3,0,0,0,0|1,0,0]=4 30150 B12R0.5 COCCNCCCOCCSC 77841e876b8d72c9bcbcfee184617d8b [0,3,0,0,0,0|1,0,0]=4 30151 B12R0.5 COCCOCCCCCCC#N 740b11b08deb469f7e9a254b7b722eec [0,3,0,0,0,0|1,0,0]=4 30152 B12R0.5 COCCOCCCCCCC=O 5d4772fc866c2ede5f292e7cc1d4458f [0,3,0,0,0,0|1,0,0]=4 30153 B12R0.5 COCCOCCCCNCC#N 9a59558c2d638e9beaaec4f4fbf3a2c4 [0,3,0,0,0,0|1,0,0]=4 30154 B12R0.5 COCCOCCCCNCC=O 9eaa6580adbfd357d26aead19b8be096 [0,3,0,0,0,0|1,0,0]=4 30155 B12R0.5 COCCOCCCCNCCF 73e8bc061e26fbce166d0ac9e57cfbec [0,3,0,0,0,0|1,0,0]=4 30156 B12R0.5 COCCOCCCCNCCO a4d5cc96e06658c4d61898fa134cdf9c [0,3,0,0,0,0|1,0,0]=4 30157 B12R0.5 COCCOCCCCNCCS b0f6f5f964afcfa91ec6a88d200ceed9 [0,3,0,0,0,0|1,0,0]=4 30158 B12R0.5 COCCOCCCCNCOC abd5b28ac9844865cf2ecb13d95fd164 [0,3,0,0,0,0|1,0,0]=4 30159 B12R0.5 COCCOCCCCNCSC 9d6eed73e576f9996782809bb1efe0ca [0,3,0,0,0,0|1,0,0]=4 30160 B12R0.5 COCCOCCCNCCC#N 4d8c7c4f6827c7fb3bfb38e7d59f0a3c [0,3,0,0,0,0|1,0,0]=4 30161 B12R0.5 COCCOCCCNCCC=O c6da2d77fd2a40a30102f4aeb6c8ed33 [0,3,0,0,0,0|1,0,0]=4 30162 B12R0.5 COCCOCCCNCCCCl c9d5c6eba223a7b14ab27c7d6edabcfd [0,3,0,0,0,0|1,0,0]=4 30163 B12R0.5 COCCOCCCNCCCF 022fe772f6a9c4a89fe3e6d05c5b592a [0,3,0,0,0,0|1,0,0]=4 30164 B12R0.5 COCCOCCCNCCCO 1399af89c6c04c5d76723284db6a793b [0,3,0,0,0,0|1,0,0]=4 30165 B12R0.5 COCCOCCCNCCCS 5786c252b15cd2a80d924d860ef4d8e0 [0,3,0,0,0,0|1,0,0]=4 30166 B12R0.5 COCCOCCCNCCON a9fd3e5211249d817c61b6cd39a57d67 [0,3,0,0,0,0|1,0,0]=4 30167 B12R0.5 COCCOCCCNCCSC c487e3aa2c6990fa669830d826229bb7 [0,3,0,0,0,0|1,0,0]=4 30168 B12R0.5 COCCOCCCOCCC#N 73678d9d7c2cbabd78f27dd54247a1d7 [0,3,0,0,0,0|1,0,0]=4 30169 B12R0.5 COCCOCCCOCCC=O 24dd9f0acdd6ea7730cb1b88e5717471 [0,3,0,0,0,0|1,0,0]=4 30170 B12R0.5 COCCOCCCOCCCF 5ffd4d0ad17499ef173463adbe3c5095 [0,3,0,0,0,0|1,0,0]=4 30171 B12R0.5 COCCOCCCOCCCS 41cc8016c13874664ff88fe2a3f0878d [0,3,0,0,0,0|1,0,0]=4 30172 B12R0.5 COCCOCCCOCCOC 38540077f7a866d346938d25f8f15d50 [0,3,0,0,0,0|1,0,0]=4 30173 B12R0.5 COCCOCCCOCCSC a711048676e141cb598a7d4269303cb4 [0,3,0,0,0,0|1,0,0]=4 30174 B12R0.5 COCCOCCNCCCC#N 57fdd632353fa991a603ee8b19f7ebcc [0,3,0,0,0,0|1,0,0]=4 30175 B12R0.5 COCCOCCNCCCC=O 79e29b6dd746e8dfcfe1a4ac6dd296b5 [0,3,0,0,0,0|1,0,0]=4 30176 B12R0.5 COCCOCCNCCCCCl 221276405fe78708130aa3518f9b02f2 [0,3,0,0,0,0|1,0,0]=4 30177 B12R0.5 COCCOCCNCCCCF dd44e1fa86649f1b4551b12812a62d62 [0,3,0,0,0,0|1,0,0]=4 30178 B12R0.5 COCCOCCNCCCCO 7f04afa96bb6e4671c1eb150ce3b97ec [0,3,0,0,0,0|1,0,0]=4 30179 B12R0.5 COCCOCCNCCCCS ca3b6180710cb4e4afb9d39468d260b3 [0,3,0,0,0,0|1,0,0]=4 30180 B12R0.5 COCCOCCNCCCSC 402a17359ddb1fc78771e5f34054926b [0,3,0,0,0,0|1,0,0]=4 30181 B12R0.5 COCCOCCOCCCC#N c9b6bf3d6768e4368ad6748096a835a3 [0,3,0,0,0,0|0,0,1]=4 30182 B12R0.5 COCCOCCOCCCC=O 1314f6c99a459d3419ebed9f0212d976 [0,3,0,0,0,0|0,0,1]=4 30183 B12R0.5 COCCOCCOCCCCF 97a7cc95b6eff22537ab645fb4a9a8ac [0,3,0,0,0,0|0,0,0]=3 30184 B12R0.5 COCCOCCOCCCCS b066cccaaf14e24d5caa25a71eba7927 [0,3,0,0,0,0|0,0,0]=3 30185 B12R0.5 COCCOCCOCCCSC 929e74c80c8f3e49eca4e72ac36ebcd8 [0,3,0,0,0,0|0,0,0]=3 30186 B12R0.5 COCCOCCOCCNCF 369483bcace6dae072e03bb333873124 [0,3,0,0,0,0|1,0,0]=4 30187 B12R0.5 COCCOCCOCCNCO ae32090ccc4786a7a1148f0484151a20 [0,3,0,0,0,0|1,0,0]=4 30188 B12R0.5 COCCOCCOCCOCF fc7a41c18c1b726a4496f5a815715d41 [0,3,0,0,0,0|1,0,0]=4 30189 B12R0.5 COCCOCNCCCCC#N 414c3b97bb18a5fc41d00a5f88b30578 [0,3,0,0,0,0|1,0,0]=4 30190 B12R0.5 COCCOCNCCCCCCl 24d0f880a23b361f95ff8b9697a6d643 [0,3,0,0,0,0|1,0,0]=4 30191 B12R0.5 COCCOCNCCCCCO 13d819e81f8a385b2a6bc34ca11c2958 [0,3,0,0,0,0|1,0,0]=4 30192 B12R0.5 COCCOCNCCCCSC ca957c5027cb04e1c36fcffc34ee0cb8 [0,3,0,0,0,0|1,0,0]=4 30193 B12R0.5 COCCOCNCCOCCO db9037e9f86c60f9da2db0c21a4b395b [0,3,0,0,0,0|1,0,0]=4 30194 B12R0.5 COCCOCNCCOCCS 71268b0b869a00f9e8def8375a5e91d5 [0,3,0,0,0,0|1,0,0]=4 30195 B12R0.5 COCCOCNCCSCCO b216dc0ac0486b5d6364f0bd2582e721 [0,3,0,0,0,0|1,0,0]=4 30196 B12R0.5 COCCOCOCCCCC#N 117ba8eda9f21b7e9515612653eeddb6 [0,3,0,0,0,0|0,0,1]=4 30197 B12R0.5 COCCOCOCCCCC=O a2ba7a5185618b8a4e10e3196d478e07 [0,3,0,0,0,0|0,0,1]=4 30198 B12R0.5 COCCOCOCCCCSC 7b7041e196be3ac52a9694f2c0119736 [0,3,0,0,0,0|0,0,0]=3 30199 B12R0.5 COCCOCOCCOCCF ef97f302588211e80b386b1a4c7922da [0,3,0,0,0,0|1,0,0]=4 30200 B12R0.5 COCCOCOCCOCCS f592b893816908906825012f7ce9c090 [0,3,0,0,0,0|1,0,0]=4 30201 B12R0.5 COCNCCCCCCCCO 4291a0431b9fd57685a2cc961312d3f2 [0,3,0,0,0,0|1,0,0]=4 30202 B12R0.5 COCNCCOCCOCCF 9a4b8caa07b38e6c0a07596f3ad3bf67 [0,3,0,0,0,0|1,0,0]=4 30203 B12R0.5 COCNCCOCCOCCO ab7f0d006eb78ddafc4b689b22d29e23 [0,3,0,0,0,0|1,0,0]=4 30204 B12R0.5 COCOCCNCCCCCCl d9f13a650870dedcc6f3975517a84736 [0,3,0,0,0,0|1,0,0]=4 30205 B12R0.5 COCOCCNCCCCCO 05f5c5d15c6203caf11abf827a47ed64 [0,3,0,0,0,0|1,0,0]=4 30206 B12R0.5 COCOCCNCCCCSC 13005f56530324e5c4281c98c798ad65 [0,3,0,0,0,0|1,0,0]=4 30207 B12R0.5 COCOCCOCCCCC#N 0146816ef79cff0d1406648a5ad549b1 [0,3,0,0,0,0|0,0,1]=4 30208 B12R0.5 COCOCCOCCCCC=O 6ae3c4922c209b83869a416f85b95439 [0,3,0,0,0,0|0,0,1]=4 30209 B12R0.5 COCOCCOCCCCSC 66b426f4741006d2226f21d16a7110fe [0,3,0,0,0,0|0,0,0]=3 30210 B12R0.5 COCOCCOCCOCCF e540467d4deae8e185f1e8b120d40881 [0,3,0,0,0,0|1,0,0]=4 30211 B12R0.5 COCOCCOCCOCCS 02078cddd0861c32b5b17467637d9e04 [0,3,0,0,0,0|1,0,0]=4 30212 B12R0.5 CSCCCCNCCCCC#N 01c78b32f81567b189fba228e6939233 [0,3,0,0,0,0|1,0,0]=4 30213 B12R0.5 CSCCCCNCCCCC=O d481b6ad8d4c8b7ec57db3a712ed600b [0,3,0,0,0,0|1,0,0]=4 30214 B12R0.5 CSCCCCNCCCCCF 81d3cfca0e4b17cf1da2187e11fb3aa3 [0,3,0,0,0,0|1,0,0]=4 30215 B12R0.5 CSCCCCNCCCCCO 4e55ff6c0d739cbadc20aea230f92d51 [0,3,0,0,0,0|1,0,0]=4 30216 B12R0.5 CSCCCCNCCCCON 05829aa596d9aeb7f95845e29c01f5f2 [0,3,0,0,0,0|1,0,0]=4 30217 B12R0.5 CSCCCCNCCOCCO cbcf80238551c4902f3b5f65b7786ba4 [0,3,0,0,0,0|1,0,0]=4 30218 B12R0.5 CSCCCCOCCCCC#N 6fc848834a13297799f23956a6924210 [0,3,0,0,0,0|0,0,0]=3 30219 B12R0.5 CSCCCCOCCCCC=O e66fca22755e98bbcc441da54c188f98 [0,3,0,0,0,0|0,0,0]=3 30220 B12R0.5 CSCCCCOCCCCCF 1c9dbec8e830b54a966049a017aa8c4e [0,3,0,0,0,0|0,0,0]=3 30221 B12R0.5 CSCCCCOCCOCC#N db5cbc5fc85362157bd815db7c85d3ac [0,3,0,0,0,0|0,0,1]=4 30222 B12R0.5 CSCCCCOCCOCC=O 13bb4e4a23cb7cabcb91bd42a29e85e7 [0,3,0,0,0,0|0,0,1]=4 30223 B12R0.5 CSCCCNCCCCCC#N b02e4421ec5b4362aa81ade897a2e281 [0,3,0,0,0,0|1,0,0]=4 30224 B12R0.5 CSCCCNCCCCCC=O 02ad4be1b852a0d2c6da213853f0684b [0,3,0,0,0,0|1,0,0]=4 30225 B12R0.5 CSCCCNCCCCCCCl 850ef8dd2af92d92edaa69e627ba2596 [0,3,0,0,0,0|1,0,0]=4 30226 B12R0.5 CSCCCNCCCCCCF 209d0770d31c6dd8d5eb767d8e188b6a [0,3,0,0,0,0|1,0,0]=4 30227 B12R0.5 CSCCCNCCCCCCO 1cd45f2058b09c1b1caa7a5bf7ff2dc5 [0,3,0,0,0,0|1,0,0]=4 30228 B12R0.5 CSCCCNCCCOCCO 79b1434075a8618912b4c25f3f6cd8c6 [0,3,0,0,0,0|1,0,0]=4 30229 B12R0.5 CSCCCNCCOCCCO f9d0e3c2745648e882e5c2bcf7e775e1 [0,3,0,0,0,0|1,0,0]=4 30230 B12R0.5 CSCCCOCCCCCC#N 0845d74ca50313f686aa546b740f7ed8 [0,3,0,0,0,0|0,0,0]=3 30231 B12R0.5 CSCCCOCCCCCC=O 64a6c9d3d4a9fff23b4a58e91fc2f25f [0,3,0,0,0,0|0,0,0]=3 30232 B12R0.5 CSCCCOCCCCCCF 4bacfed725af5c1e1e37853e4a4bf30c [0,3,0,0,0,0|0,0,0]=3 30233 B12R0.5 CSCCCOCCCCCCS b1bd339e25b3a5c1620e6341fda31fcf [0,3,0,0,0,0|0,0,0]=3 30234 B12R0.5 CSCCCOCCCOCC#N c4209836cd7a1495eea1c15448c1d9af [0,3,0,0,0,0|0,0,1]=4 30235 B12R0.5 CSCCCOCCOCCC#N 077765294ec968551a1c47df4a115ec2 [0,3,0,0,0,0|0,0,1]=4 30236 B12R0.5 CSCCNCCCCCCCO 8765946b463d5d9aa62d523a23232dc8 [0,3,0,0,0,0|1,0,0]=4 30237 B12R0.5 CSCCNCCCOCCCO eaf01b31377fb11c3034ceb2e823a8a8 [0,3,0,0,0,0|1,0,0]=4 30238 B12R0.5 CSCCNCCCOCCSC 78022ad011818da6cdcaa3bd848e025e [0,3,0,0,0,0|1,0,0]=4 30239 B12R0.5 CSCCOCCCCCCC#N 852be22c0be3c268215b38bc24a5c1e4 [0,3,0,0,0,0|1,0,0]=4 30240 B12R0.5 CSCCOCCCCCCC=O e586d05d105e5608c94e081a6e3866ba [0,3,0,0,0,0|1,0,0]=4 30241 B12R0.5 CSCCOCCCNCCC#N b3a2f4d06a82233218c444c8c822d3b1 [0,3,0,0,0,0|1,0,0]=4 30242 B12R0.5 CSCCOCCCNCCC=O 61474730c55f388e21a574bf346d5498 [0,3,0,0,0,0|1,0,0]=4 30243 B12R0.5 CSCCOCCCNCCCF 0e07550aae1a5e74914ce4273bcc11a1 [0,3,0,0,0,0|1,0,0]=4 30244 B12R0.5 CSCCOCCCNCCCO b97ea4fae2362e5ae00bcbbce0230ca3 [0,3,0,0,0,0|1,0,0]=4 30245 B12R0.5 CSCCOCCCNCCCS c60e9530ceb0093d68a0489983c926da [0,3,0,0,0,0|1,0,0]=4 30246 B12R0.5 CSCCOCCCOCCC#N fd5ba959395f00f6c0e08a97b8e04053 [0,3,0,0,0,0|1,0,0]=4 30247 B12R0.5 CSCNCCCCCCCCO e8b7d3cd9dccba07c98219f4d8726a7f [0,3,0,0,0,0|1,0,0]=4 30248 B12R0.5 CSCNCCOCCOCCF b96de94777ac319221ef35bbd446f43d [0,3,0,0,0,0|1,0,0]=4 30249 B12R0.5 CSCNCCOCCOCCO 242818a1e649c5422acf86cc997c1a85 [0,3,0,0,0,0|1,0,0]=4 30250 B12R0.5 CSCOCCOCCOCCF a5a03bd4d6a19d70575d56c3593dc3cd [0,3,0,0,0,0|1,0,0]=4 30251 B12R0.5 CSCOCCOCCOCCS e02f792176e130f19fa52b85fb605d50 [0,3,0,0,0,0|1,0,0]=4 30252 B12R0.5 FCCCCCCNCCCCCl 20a862fc9b70ac87ce92f53e4495bf60 [0,3,0,0,0,0|1,0,0]=4 30253 B12R0.5 FCCCCCCNCCCCS 0b6170c8a5e7c3acfe0610570c71aa9e [0,3,0,0,0,0|1,0,0]=4 30254 B12R0.5 FCCCCCCOCCCCF 70caf655313654ba7e102f65a1f98ed0 [0,3,0,0,0,0|0,0,0]=3 30255 B12R0.5 FCCCCCCOCCCCS e7042962dfa814899d16108b6c1bca05 [0,3,0,0,0,0|0,0,0]=3 30256 B12R0.5 FCCCCCNCCCCCCl 530413dfb05ae5377e9d73ce656f5b4d [0,3,0,0,0,0|1,0,0]=4 30257 B12R0.5 FCCCCCNCCOCCS 2009ff0691d8fc387dda41caa6a5a256 [0,3,0,0,0,0|1,0,0]=4 30258 B12R0.5 FCCCCCOCCOCCF 24b1583f26dcc2a00b8ed05f520507b3 [0,3,0,0,0,0|0,0,0]=3 30259 B12R0.5 FCCCCCOCCOCCS 55e7a64a6be7eb25053fa6af9fc765a5 [0,3,0,0,0,0|0,0,0]=3 30260 B12R0.5 FCCCCNCCCCCCCl 664f946b3b9733fccd145f281a295be0 [0,3,0,0,0,0|1,0,0]=4 30261 B12R0.5 FCCCCOCCCCCCS b825b83af8a09c84100401fc2b9556ca [0,3,0,0,0,0|0,0,0]=3 30262 B12R0.5 FCCNCCOCCOCCF cb88a170e47dde1ac77199492895eaa2 [0,3,0,0,0,0|1,0,0]=4 30263 B12R0.5 FCCOCCOCCNCCS 60a5ffbed792732218bfefdb4765752c [0,3,0,0,0,0|1,0,0]=4 30264 B12R0.5 FCCOCCOCCOCCF 8e2b231e423f21848b44adb9f3477ff3 [0,3,0,0,0,0|1,0,0]=4 30265 B12R0.5 FCCOCCOCCOCCS 04d0288ba339b996e02501357f7c326e [0,3,0,0,0,0|1,0,0]=4 30266 B12R0.5 FCOCCCCCCCCCS affeeb83ac5483266cca6d736594be94 [0,3,0,0,0,0|1,0,0]=4 30267 B12R0.5 N#CCCCCCCOCCCF bd9f776a2df396f818e8785a74e68b5f [0,3,0,0,0,0|1,0,0]=4 30268 B12R0.5 N#CCCCCCCOCCCS c9196bdc3de117eea643c6e28e49d57a [0,3,0,0,0,0|1,0,0]=4 30269 B12R0.5 N#CCCCCCNCCCCCl 43620e9499d30d6705473e513b77bcec [0,3,0,0,0,0|1,0,0]=4 30270 B12R0.5 N#CCCCCCNCCCCF 772e3fae06eec6a2eb6c3f3f358142d9 [0,3,0,0,0,0|1,0,0]=4 30271 B12R0.5 N#CCCCCCNCCCCO 19a99d5a51975823d732dd28a69c6e93 [0,3,0,0,0,0|1,0,0]=4 30272 B12R0.5 N#CCCCCCNCCCCS 22348e3113c2a147d0b10c37121e1f31 [0,3,0,0,0,0|1,0,0]=4 30273 B12R0.5 N#CCCCCCOCCCC#N 94a69ef8f016fcef471bbd0a9f036e71 [0,3,0,0,0,0|0,0,1]=4 30274 B12R0.5 N#CCCCCCOCCCC=O 6390bf70e01742ce412bef052b4907ad [0,3,0,0,0,0|0,0,1]=4 30275 B12R0.5 N#CCCCCCOCCCCF e56306fb538fe149a40bef91476d71d8 [0,3,0,0,0,0|0,0,0]=3 30276 B12R0.5 N#CCCCCCOCCCCS 4eb45fb9d2002b3fbb763d32dcac8f93 [0,3,0,0,0,0|0,0,0]=3 30277 B12R0.5 N#CCCCCNCCCCCCl 502c181d447e60c5c63c744ebfc2ae1d [0,3,0,0,0,0|1,0,0]=4 30278 B12R0.5 N#CCCCCNCCCCCF 611ebf1511087a934ba105321a9b06d6 [0,3,0,0,0,0|1,0,0]=4 30279 B12R0.5 N#CCCCCNCCCCCO 0f00de36eed8a295768f8f4b836adfe6 [0,3,0,0,0,0|1,0,0]=4 30280 B12R0.5 N#CCCCCOCCCCC#N bded80aa451f8b8b7c736256f33de808 [0,3,0,0,0,0|0,0,1]=4 30281 B12R0.5 N#CCCCCOCCCCC=O 83cfdd12d47727fd9fafb4f3e31aff39 [0,3,0,0,0,0|0,0,1]=4 30282 B12R0.5 N#CCCCCOCCCCCF e46c6a9e00cf9b4c4aedd5671943afc4 [0,3,0,0,0,0|0,0,0]=3 30283 B12R0.5 N#CCCCCOCCOCCF 88d418568c17ffbdac3c54bdc625014a [0,3,0,0,0,0|0,0,1]=4 30284 B12R0.5 N#CCCCCOCCOCCS 9cac0111cafdbe2c57ea8f2e36930326 [0,3,0,0,0,0|0,0,1]=4 30285 B12R0.5 N#CCCCNCCOCCCO cec1eaf7988e9cb3a633189db2bdd5be [0,3,0,0,0,0|1,0,0]=4 30286 B12R0.5 N#CCCCOCCCCCC=O 1b2e54cd8255463eb8137e87a4794c33 [0,3,0,0,0,0|0,0,1]=4 30287 B12R0.5 N#CCCCOCCCCCCF ccfd680512a2effeff656689f88fce16 [0,3,0,0,0,0|0,0,1]=4 30288 B12R0.5 N#CCCCOCCCCCCS a560ffa946adcbc55261811c2f464da0 [0,3,0,0,0,0|0,0,1]=4 30289 B12R0.5 N#CCCNCCCOCCCO a813ca68f0c524afa06e08e5f53f3eda [0,3,0,0,0,0|1,0,0]=4 30290 B12R0.5 N#CCCOCCCOCCCF 3839d75076cdcea660b377145ec3ba62 [0,3,0,0,0,0|1,0,0]=4 30291 B12R0.5 N#CCCOCCCOCCCS 711c4cccc070fa2686edd9c1eda710eb [0,3,0,0,0,0|1,0,0]=4 30292 B12R0.5 N#CCCOCCOCCCCF f3f95465d70c335f2b8f50c0682c2167 [0,3,0,0,0,0|0,0,1]=4 30293 B12R0.5 N#CCOCCCOCCCCF a63efaddeb6745e8bc7b135a85aaa387 [0,3,0,0,0,0|0,0,1]=4 30294 B12R0.5 N#CNCCCCOCCCCO be964201b17933cae756c4664f9b2a8d [0,3,0,0,0,0|0,0,1]=4 30295 B12R0.5 NOCCCCNCCCCCCl a9d66a4f2d5e29a74b288c49d9f6af10 [0,3,0,0,0,0|1,0,0]=4 30296 B12R0.5 NOCCCCNCCCCCO 53b81f2eca5f3197e0e5405e6e88eed5 [0,3,0,0,0,0|1,0,0]=4 30297 B12R0.5 NOCCNCCCOCCCO e0014f40ddf85bc68877ec1e08cc14de [0,3,0,0,0,0|1,0,0]=4 30298 B12R0.5 O=CCCCCCCOCCCF 3c0bb3a9341015fb79f163f42cb3ef21 [0,3,0,0,0,0|1,0,0]=4 30299 B12R0.5 O=CCCCCCCOCCCS 85aefa3fca1d2923efb3caa0960eef72 [0,3,0,0,0,0|1,0,0]=4 30300 B12R0.5 O=CCCCCCNCCCCCl 669637376a9ebf4ec4ce404a46508915 [0,3,0,0,0,0|1,0,0]=4 30301 B12R0.5 O=CCCCCCNCCCCO f2f66a5cdf428384dd585c1cab27f9fe [0,3,0,0,0,0|1,0,0]=4 30302 B12R0.5 O=CCCCCCNCCCCS 850f304c385013fd8547868408b836cf [0,3,0,0,0,0|1,0,0]=4 30303 B12R0.5 O=CCCCCCOCCCC=O 705c5c0b370245bc06db5a111ef04647 [0,3,0,0,0,0|0,0,1]=4 30304 B12R0.5 O=CCCCCCOCCCCF 9023f8802736a5740d5ad27c94a58e5b [0,3,0,0,0,0|0,0,0]=3 30305 B12R0.5 O=CCCCCCOCCCCS 902e057e69b43bed83be0a0a5fefe2cf [0,3,0,0,0,0|0,0,0]=3 30306 B12R0.5 O=CCCCCNCCCCCCl 0df224c9b0af0bde400190da89132745 [0,3,0,0,0,0|1,0,0]=4 30307 B12R0.5 O=CCCCCNCCCCCO c87172c18e3a6f301fd662d5f5105b5f [0,3,0,0,0,0|1,0,0]=4 30308 B12R0.5 O=CCCCCOCCCCC=O 2655b8a391234af4e920722f745b4339 [0,3,0,0,0,0|0,0,1]=4 30309 B12R0.5 O=CCCCCOCCCCCF fbff91ad78fe09445983743267e929d4 [0,3,0,0,0,0|0,0,0]=3 30310 B12R0.5 O=CCCCCOCCOCCF 1ec5d2170b16a470613c239f751f91d8 [0,3,0,0,0,0|0,0,1]=4 30311 B12R0.5 O=CCCCCOCCOCCS 10e052bdc76cb005fcbd0c32d229fd62 [0,3,0,0,0,0|0,0,1]=4 30312 B12R0.5 O=CCCCNCCOCCCO 524587567522b3f8697fdd0edc251868 [0,3,0,0,0,0|1,0,0]=4 30313 B12R0.5 O=CCCCOCCCCCCF 0ec759f22352d885fb530fa9127c3ca7 [0,3,0,0,0,0|0,0,1]=4 30314 B12R0.5 O=CCCCOCCCCCCS fc607e5334c67784d754ba503468bcd2 [0,3,0,0,0,0|0,0,1]=4 30315 B12R0.5 O=CCCNCCCOCCCO bc42cd34b793b9679868439d1f518a75 [0,3,0,0,0,0|1,0,0]=4 30316 B12R0.5 O=CCOCCOCCCCCF 326add13dbd75e91fadf38cf320a60d2 [0,3,0,0,0,0|0,0,1]=4 30317 B12R0.5 OCCCCCCCCCNCF d242b5318b524d54127bd14f29eb91d7 [0,3,0,0,0,0|1,0,0]=4 30318 B12R0.5 OCCCCCCCCCNCO 0eb9b1537a58c42da46f3bcc3691c9a1 [0,3,0,0,0,0|1,0,0]=4 30319 B12R0.5 OCCCCCCCCNCCBr 35765e9a53ee6dc6418bc6bea5ee5ad6 [0,3,0,0,0,0|1,0,0]=4 30320 B12R0.5 OCCCCCCCCNCCF 6f66fb4c8aee923c23b3bd1d8053b193 [0,3,0,0,0,0|1,0,0]=4 30321 B12R0.5 OCCCCCCCCNCCI 6b6dbd57a56aaca0f50508646d145d97 [0,3,0,0,0,0|1,0,0]=4 30322 B12R0.5 OCCCCCCCCNCCO 3b82a17b2c136d6f5fde196424c62388 [0,3,0,0,0,0|1,0,0]=4 30323 B12R0.5 OCCCCCCCCNCCS ab11661479cc8257ca303f3e9ed5cff8 [0,3,0,0,0,0|1,0,0]=4 30324 B12R0.5 OCCCCCCCNCCCCl 299d5058535e3a4dc8b40b597e6a8d25 [0,3,0,0,0,0|1,0,0]=4 30325 B12R0.5 OCCCCCCCNCCCF a343be6f266cab3842136634deb768fa [0,3,0,0,0,0|1,0,0]=4 30326 B12R0.5 OCCCCCCCNCCCO 7bb45046461dd712ccd7bc8e6d936f04 [0,3,0,0,0,0|1,0,0]=4 30327 B12R0.5 OCCCCCCCNCCCS a1fd15f6d445aa05242b2fd055a20530 [0,3,0,0,0,0|1,0,0]=4 30328 B12R0.5 OCCCCCCNCCCCCl 929b0370a7584d99b8f750579ffb2a8e [0,3,0,0,0,0|1,0,0]=4 30329 B12R0.5 OCCCCCCNCCCCF db94a5ddf57d6bdfed58b3bf2ea1cab2 [0,3,0,0,0,0|1,0,0]=4 30330 B12R0.5 OCCCCCCNCCCCO 4ce72c9c6c20fd2ba5fa239446b5400f [0,3,0,0,0,0|1,0,0]=4 30331 B12R0.5 OCCCCCCNCCCCS 0b0bdab91836b031b6b48ecc9f01e2f0 [0,3,0,0,0,0|1,0,0]=4 30332 B12R0.5 OCCCCCNCCCCCCl 4adf9b3a8cd9cecfcd2186c383419b9d [0,3,0,0,0,0|1,0,0]=4 30333 B12R0.5 OCCCCCNCCCCCF e792c2bd5dc1a357f9773db4cd8afeb7 [0,3,0,0,0,0|1,0,0]=4 30334 B12R0.5 OCCCCCNCCCCCO 2453c6725160cc67093ca26f07956465 [0,3,0,0,0,0|1,0,0]=4 30335 B12R0.5 OCCCCCNCCOCCO e197e1f8dd8e8e4b011443a90577334f [0,3,0,0,0,0|1,0,0]=4 30336 B12R0.5 OCCCCCNCCOCCS a169ba49b9aaa5ad66f61ccbb9113db4 [0,3,0,0,0,0|1,0,0]=4 30337 B12R0.5 OCCCCCNCCSCCO af8237c12181602fe89ef12ef87ba4aa [0,3,0,0,0,0|1,0,0]=4 30338 B12R0.5 OCCCCNCCCCCCCl 6c4018201c3609488db97fc5adf514c4 [0,3,0,0,0,0|1,0,0]=4 30339 B12R0.5 OCCCCNCCCCCCF bab5f598b2f4423cf7c5a9a9709d2ebf [0,3,0,0,0,0|1,0,0]=4 30340 B12R0.5 OCCCCNCCCOCCO 8718002cfac2f45bbd51f9cced709a51 [0,3,0,0,0,0|1,0,0]=4 30341 B12R0.5 OCCCCNCCOCCCO dba38977eb27eea4ffb245fa7651baf3 [0,3,0,0,0,0|1,0,0]=4 30342 B12R0.5 OCCCNCCCOCCCO 8ac97c294e6983770b0719fa1b125be9 [0,3,0,0,0,0|1,0,0]=4 30343 B12R0.5 OCCCOCCCNCCCCl 61132d8050c4778b06d8cd886402b153 [0,3,0,0,0,0|1,0,0]=4 30344 B12R0.5 OCCCOCCCNCCCF 14ca6ba2472d431e81cd704da2a19e6d [0,3,0,0,0,0|1,0,0]=4 30345 B12R0.5 OCCCOCCCNCCCS 6a31dfd442950c2069202f99d4e6cd7f [0,3,0,0,0,0|1,0,0]=4 30346 B12R0.5 OCCCOCCNCCCCF a9043c1eeabe54157f8906a4b9de94e3 [0,3,0,0,0,0|1,0,0]=4 30347 B12R0.5 OCCNCCOCCOCCF ba44a68b66f61e677a54b53ffd45807c [0,3,0,0,0,0|1,0,0]=4 30348 B12R0.5 OCCNCCOCCOCCO 9f3ab866940deb575b3970a3019a5c00 [0,3,0,0,0,0|1,0,0]=4 30349 B12R0.5 OCCOCCCNCCCCF fbecdfd951cc669db0f1cfe2188ce139 [0,3,0,0,0,0|1,0,0]=4 30350 B12R0.5 OCCOCCNCCCCCCl e0ff5c7ce6a6440d28ad52b83ed9ece2 [0,3,0,0,0,0|1,0,0]=4 30351 B12R0.5 OCCOCCNCCCCCF 4f800ce1c34400d0bff43f3b2c45b295 [0,3,0,0,0,0|1,0,0]=4 30352 B12R0.5 OCCOCCOCCCNCF 39d2f6a7fdc4bcbae2c58ce0d299ed26 [0,3,0,0,0,0|1,0,0]=4 30353 B12R0.5 OCCOCCOCCCNCO 31c792790e1a67293446d1d41ce5d9e0 [0,3,0,0,0,0|1,0,0]=4 30354 B12R0.5 OCCOCCOCCNCCBr 794eff93a61db170dba8f911e33e8ea6 [0,3,0,0,0,0|1,0,0]=4 30355 B12R0.5 OCCOCCOCCNCCF 7801229da9865430dc9508db39eea58d [0,3,0,0,0,0|1,0,0]=4 30356 B12R0.5 OCCOCCOCCNCCI 094dfc5c63415175e52697411bc79138 [0,3,0,0,0,0|1,0,0]=4 30357 B12R0.5 OCCOCCOCCNCCS 5c88d3d9e3d32393c531d9ff80bbc3ec [0,3,0,0,0,0|1,0,0]=4 30358 B12R0.5 OCCSCCNCCCCCF e1cfd3c4d97d5db87c62551c4dd82739 [0,3,0,0,0,0|1,0,0]=4 30359 B12R0.5 SCCOCCOCCOCCS b743643e4481fe67b37ff5e703ac3113 [0,3,0,0,0,0|1,0,0]=4 30360 B12R0.117 C#CC(CCCCC)OCCCC 1fb1afc2430ab6065678096e8c143c42 [0,3,0,0,0,0|0,0,0]=3 30361 B12R0.117 C#CC(CCCCC)OCCCF 97c1ed18a70ba3d05228c2b6d30efea9 [0,3,0,0,0,0|1,0,0]=4 30362 B12R0.117 C#CC(CCCCC)OCCCS 47e2e221e3183d8d6d05f0fdfb9f0239 [0,3,0,0,0,0|1,0,0]=4 30363 B12R0.117 C#CC(CCCCC)OCCOC ac88871db1e2a1f912c47d60db48c04c [0,3,0,0,0,0|1,0,0]=4 30364 B12R0.117 C#CC(CCCCC)OCCSC 79672d1b320838620e6dc6e6212578f2 [0,3,0,0,0,0|1,0,0]=4 30365 B12R0.117 C#CC(CCCCC)OCOCC 3ca893ee84e38bde8827043bf93d27a2 [0,3,0,0,0,0|1,0,0]=4 30366 B12R0.117 C#C[C@H](CCCCC)OCCCC da6df7e85137721a9e4e5765719c063b [0,3,0,0,0,0|0,0,0]=3 30367 B12R0.117 C#C[C@H](CCCCC)OCCCF 2778be14cf60f57f85b21d5690e3f0f6 [0,3,0,0,0,0|1,0,0]=4 30368 B12R0.117 C#C[C@H](CCCCC)OCCCS 8ee02211c46905dc7d6b3179dce5d0eb [0,3,0,0,0,0|1,0,0]=4 30369 B12R0.117 C#C[C@H](CCCCC)OCCOC ad4a6ec374a7988c0af16a641fc7cc13 [0,3,0,0,0,0|1,0,0]=4 30370 B12R0.117 C#C[C@H](CCCCC)OCCSC fd6982c4a59643b92a4116c554a1bf13 [0,3,0,0,0,0|1,0,0]=4 30371 B12R0.117 C#C[C@H](CCCCC)OCOCC b91e463f95453bf6d6af8835c71f551e [0,3,0,0,0,0|1,0,0]=4 30372 B12R0.117 C=CC(CCCCC)OCCCC c5fcef726526bf49b145ae9f1704156a [0,3,0,0,0,0|0,0,0]=3 30373 B12R0.117 C=CC(CCCCC)OCCCF fb51d26718d8aae33c74f2579865f6d0 [0,3,0,0,0,0|1,0,0]=4 30374 B12R0.117 C=CC(CCCCC)OCCCS a56a55365c32d5dd18051ebdca1fcafc [0,3,0,0,0,0|1,0,0]=4 30375 B12R0.117 C=CC(CCCCC)OCCOC e7fcdfee53e8118d6bece9d6e9e2749f [0,3,0,0,0,0|1,0,0]=4 30376 B12R0.117 C=CC(CCCCC)OCCSC c18c25fd0a7ef314daa63d5fb53a5b57 [0,3,0,0,0,0|1,0,0]=4 30377 B12R0.117 C=CC(CCCCC)OCOCC 0f67c01e7dc58a1a9598b584c15f634f [0,3,0,0,0,0|1,0,0]=4 30378 B12R0.117 C=C[C@H](CCCCC)OCCCC ed33096be96ae9d3600c777894eabc6c [0,3,0,0,0,0|0,0,0]=3 30379 B12R0.117 C=C[C@H](CCCCC)OCCCF 40785c13399e7dfcc649d3e602650772 [0,3,0,0,0,0|1,0,0]=4 30380 B12R0.117 C=C[C@H](CCCCC)OCCCS 2958ed1181d822f30cc974ab96c86643 [0,3,0,0,0,0|1,0,0]=4 30381 B12R0.117 C=C[C@H](CCCCC)OCCOC b0ba20039b3e79b42445a4a9ab6c00f0 [0,3,0,0,0,0|1,0,0]=4 30382 B12R0.117 C=C[C@H](CCCCC)OCCSC e3f6f8359511d6681bb26b89f56d010a [0,3,0,0,0,0|1,0,0]=4 30383 B12R0.117 C=C[C@H](CCCCC)OCOCC 99058594ff392a0888c24000d1421680 [0,3,0,0,0,0|1,0,0]=4 30384 B12R0.117 CCCCCC(CC)COCCC a342a7c07d604e406ba4a1e84322dffa [0,3,0,0,0,0|1,0,0]=4 30385 B12R0.117 CCCCCC(CC)OCCCC d284b901ee4c1414c80b60e11b487ef6 [0,3,0,0,0,0|0,0,0]=3 30386 B12R0.117 CCCCCC(CC)OCCCF 8c6e73ceffcfc5d39e423ea17e38c308 [0,3,0,0,0,0|1,0,0]=4 30387 B12R0.117 CCCCCC(CC)OCCCS 371eecc08b0e72cd62f38e2fe2422e18 [0,3,0,0,0,0|1,0,0]=4 30388 B12R0.117 CCCCCC(CC)OCCOC 23a3d4abce6949b1826182692344e2d1 [0,3,0,0,0,0|1,0,0]=4 30389 B12R0.117 CCCCCC(CC)OCCSC f78ba51f54a02cc6952601cac99f3bff [0,3,0,0,0,0|1,0,0]=4 30390 B12R0.117 CCCCCC(CC)OCOCC decd605bdb243d427e207358b3175cd9 [0,3,0,0,0,0|1,0,0]=4 30391 B12R0.117 CCCCCN(C=O)CCCCC fd8a9985f96064d714bea09ab5ee031f [0,3,0,0,0,0|1,0,0]=4 30392 B12R0.117 CCCCCN(CC)CCCCC eb70da7e5835d37eb12432c2e3b112d4 [0,3,0,0,0,0|1,0,0]=4 30393 B12R0.117 CCCCCN(CC)CCCCO bb08810d58ec94a7bb665afee7f35016 [0,3,0,0,0,0|1,0,0]=4 30394 B12R0.117 CCCCCN(CC)CCCOC f20936a46d4d1f6cae71ee5f16132de8 [0,3,0,0,0,0|1,0,0]=4 30395 B12R0.117 CCCCCN(CC)CCOCC f724cfe5889eb1417d2b4d4f97a42685 [0,3,0,0,0,0|1,0,0]=4 30396 B12R0.117 CCCCCN(CF)CCCCC d6cf369968bdbeca50b50bc4c77bd905 [0,3,0,0,0,0|1,0,0]=4 30397 B12R0.117 CCCCCN(CO)CCCCC 2ce68705b6406f3daaeaf0d73f2c60d4 [0,3,0,0,0,0|1,0,0]=4 30398 B12R0.117 CCCCC[C@H](CC)OCCCC 0a597214935a674064d66af155dfd172 [0,3,0,0,0,0|0,0,0]=3 30399 B12R0.117 CCCCC[C@H](CC)OCCCF cf136e7c63c093377cd06aa586213cd6 [0,3,0,0,0,0|1,0,0]=4 30400 B12R0.117 CCCCC[C@H](CC)OCCCS cf14a23330d20c1953c722038c457cfc [0,3,0,0,0,0|1,0,0]=4 30401 B12R0.117 CCCCC[C@H](CC)OCCOC d10badbb66085819cc1fcdc688216408 [0,3,0,0,0,0|1,0,0]=4 30402 B12R0.117 CCCCC[C@H](CC)OCCSC 46f1bff9d5c4b5a75f667e6ad319bc01 [0,3,0,0,0,0|1,0,0]=4 30403 B12R0.117 CCCCC[C@H](CC)OCOCC c858afb0ff89c0e948ddffb19616f8c4 [0,3,0,0,0,0|1,0,0]=4 30404 B12R0.634 CCCCNC(C)(C)CCCCO ffa83507400bb202e39f610910ad2eba [0,3,0,0,0,0|1,0,0]=4 30405 B12R0.6 CCCCC(C)NCC(C)(C)CC fffec6a95bf20edfdd2f6385a74941ef [0,3,0,0,0,0|1,0,0]=4 30406 B12R0.6 CCCCC(C)NCC(C)(O)CC c42cda47d9cd7e2dba335c9704290cc8 [0,3,0,0,0,0|1,0,0]=4 30407 B12R0.6 CCCCC(C)OCC(C)(C)CF cf287c66010f9a941151ff1ab77f482b [0,3,0,0,0,0|1,0,0]=4 30408 B12R0.6 CCCCC(C)OCC(C)(C)OC 24a9567ecd600b407f3fa84ea9b09fd6 [0,3,0,0,0,0|1,0,0]=4 30409 B12R0.6 CCCCC(C)OCC(F)(F)CC dd3a1dc70e394f8b5332ef1d78cf4400 [0,3,0,0,0,0|0,0,0]=3 30410 B12R0.6 CCCCN(C)CCC(C)(C)CC 83deb5225ac0086e092fb33f150fc195 [0,3,0,0,0,0|1,0,0]=4 30411 B12R0.131 CCC(=O)COCCC(C)(C)CC 0d1ef9f1ab3b4b0453c355819898dcde [0,3,0,0,0,0|0,0,1]=4 30412 B12R0.131 CCC(C)(C)CCOCC(Br)CBr 445602755db7b2cfbf222bb207868f47 [0,3,0,0,0,0|1,0,0]=4 30413 B12R0.131 CCC(C)(C)CCOCC(C)OC 5f644e7b3fe50b68a89ab4e1776b5404 [0,3,0,0,0,0|1,0,0]=4 30414 B12R0.131 CCC(C)(C)CCOCC(Cl)CCl be7228ae59d270f5ecb6a3238c31f951 [0,3,0,0,0,0|1,0,0]=4 30415 B12R0.131 CCC(C)(C)CCOCC(S)CS baef59c4badb7b45f6fcdc2be2a2a432 [0,3,0,0,0,0|1,0,0]=4 30416 B12R0.131 CCC(C)(C)CCOC[C@@H](C)OC bf48d677253e408ced83f1b8473d58dc [0,3,0,0,0,0|1,0,0]=4 30417 B12R0.131 CCC(C)(C)CCOC[C@H](C)OC e21c23fbfb2e2c6b8cc623ec2fea6672 [0,3,0,0,0,0|1,0,0]=4 30418 B12R0.131 CCC(C)CCNCC(C)(C)CC fdb0dfaad4c302c47e8542299e099e8b [0,3,0,0,0,0|1,0,0]=4 30419 B12R0.131 CCC(C)CCNCC(C)(O)CC 780f11d6b47869bbbcc0140e26a828f6 [0,3,0,0,0,0|1,0,0]=4 30420 B12R0.131 CCC(C)CCOCC(C)(C)CF c7a821c92e7635d56e94c4eb424a5d5a [0,3,0,0,0,0|1,0,0]=4 30421 B12R0.131 CCC(C)CCOCC(C)(C)OC 8225db5a6e692ef9ee660c11d5be4f9c [0,3,0,0,0,0|1,0,0]=4 30422 B12R0.131 CCC(C)CCOCC(F)(F)CC 2b2baace2d3b16ca2113a6ee82d4e891 [0,3,0,0,0,0|0,0,0]=3 30423 B12R0.131 CCC(C)CNCCC(C)(C)CC 402c773e4b30b42ab9e8807abed7f487 [0,3,0,0,0,0|1,0,0]=4 30424 B12R0.131 CCC(C)COCCC(C)(C)CC ed609269932240f693636d77e89a58d2 [0,3,0,0,0,0|0,0,0]=3 30425 B12R0.131 CCC(C)COCCC(C)(C)OC 18fc95408b5469ef10b0ee9bc5ed1fba [0,3,0,0,0,0|1,0,0]=4 30426 B12R0.131 CCC(C)COCCS(=O)(=O)CC 3ffbd7551a6731cdf00cdcd28887d836 [0,3,0,0,0,0|1,0,0]=4 30427 B12R0.131 CCC(O)CNCCC(C)(C)CC 1526fbc71cc3f977e296fc967c0335eb [0,3,0,0,0,0|1,0,0]=4 30428 B12R0.131 CCC(S)CCOCC(C)(C)OC fc04f22ef7821296163b44355f0665d8 [0,3,0,0,0,0|1,0,0]=4 30429 B12R0.131 CCC(S)CCOCS(=O)(=O)CC 1c224094b5d30f8fa860c62ff6a9738f [0,3,0,0,0,0|1,0,0]=4 30430 B12R0.131 CCS(=O)CCOCC(F)(F)CC c5cc5568b9d76a0c62f79cd8cb113dfc [0,3,0,0,0,0|1,0,0]=4 30431 B12R0.131 CC[C@@H](C)COCCC(C)(C)CC 6954a56cc80f38f3d0d507c0fd932a8d [0,3,0,0,0,0|0,0,0]=3 30432 B12R0.131 CC[C@@H](C)COCCC(C)(C)OC aa56b4a4dd7d0f164a6900c6e1ce0dc4 [0,3,0,0,0,0|1,0,0]=4 30433 B12R0.131 CC[C@@H](C)COCCS(=O)(=O)CC 34b221ad7d88ea995da91fa5d4c0a8e7 [0,3,0,0,0,0|1,0,0]=4 30434 B12R0.131 CC[C@@H](O)CNCCC(C)(C)CC f2ccaafe679764f298171f383bb47e34 [0,3,0,0,0,0|1,0,0]=4 30435 B12R0.131 CC[C@H](C)CCOCC(C)(C)OC 09810786e978e887c9adbb9583420657 [0,3,0,0,0,0|1,0,0]=4 30436 B12R0.131 CC[C@H](C)CNCCC(C)(C)CC 484020162cd61b70070559e2647e2157 [0,3,0,0,0,0|1,0,0]=4 30437 B12R0.131 CC[C@H](C)COCCC(C)(C)CC 0965615bcb24a23338a372a186e4baff [0,3,0,0,0,0|0,0,0]=3 30438 B12R0.131 CC[C@H](C)COCCC(C)(C)OC eabdaae36600dc7aab792b237b33c64b [0,3,0,0,0,0|1,0,0]=4 30439 B12R0.131 CC[C@H](C)COCCS(=O)(=O)CC b561f61cdf8d75b7b33533dbc93e8430 [0,3,0,0,0,0|1,0,0]=4 30440 B12R0.435 C#CC(C)(CC)NCOCCCC 5539bd50e73e22f8c83b4b84404afbe5 [0,3,0,0,0,0|1,0,0]=4 30441 B12R0.435 CCCCCNCC(O)(CC)CC b64e7cf1db9e3bb122535eab20c21212 [0,3,0,0,0,0|1,0,0]=4 30442 B12R0.435 CCCCCOCC(C)(OC)OC 16740d32c668b168673a0ca1918e55bb [0,3,0,0,0,0|1,0,0]=4 30443 B12R0.435 CCCCOCNC(C)(C#N)CC f69cf6709b460bd741fb56603f72ca4e [0,3,0,0,0,0|1,0,0]=4 30444 B12R0.435 CCCCOCNC(C)(CC)CC 29c86dbc6d51197c57ba366c292d2f5c [0,3,0,0,0,0|1,0,0]=4 30445 B12R0.435 CCCCOCNC(C)(CC)CO 8efda9fbee7366ddc6cc514669df9cb1 [0,3,0,0,0,0|1,0,0]=4 30446 B12R0.133 CCC(CC)COC(C)CCOC e3cfaef6f8846a54d9a9e4c11ac4e5e6 [0,3,0,0,0,0|1,0,0]=4 30447 B12R0.133 CCC(CC)COC(C)CCSC efb52f23ede42e1a0fe1a1c5ece48543 [0,3,0,0,0,0|1,0,0]=4 30448 B12R0.133 CCCCC(C)NCC(CC)CC 2d51a0ce4717941409b2925f8e964651 [0,3,0,0,0,0|1,0,0]=4 30449 B12R0.133 CCCCC(C)NCC(CC)CO 2a6ada9aaad9a1e0333234ee2ea9d19d [0,3,0,0,0,0|1,0,0]=4 30450 B12R0.133 CCCCC(C)OCC(CBr)CBr b9fafaa970849f393dfd9cd6a056ae46 [0,3,0,0,0,0|1,0,0]=4 30451 B12R0.133 CCCCC(C)OCC(CC)CC 3e087f3ec57f336a4a024dd65a82579a [0,3,0,0,0,0|0,0,0]=3 30452 B12R0.133 CCCCC(C)OCC(CC)OC 440a813b1aab74a26ef3f8a1b8544273 [0,3,0,0,0,0|0,0,0]=3 30453 B12R0.133 CCCCC(C)OCC(OC)OC acdef5433547e615fbf55ba4ece9da0f [0,3,0,0,0,0|1,0,0]=4 30454 B12R0.133 CCCCC(C)OCN(CC)CC b684f239c39e14b6bc0fa39ad108fb4f [0,3,0,0,0,0|1,0,0]=4 30455 B12R0.133 CCCC[C@@H](C)NCC(CC)CC b386297b611cef489bc7c95ecad0df65 [0,3,0,0,0,0|1,0,0]=4 30456 B12R0.133 CCCC[C@@H](C)NCC(CC)CO 0f2f65c0909de04158e45b48e73010a8 [0,3,0,0,0,0|1,0,0]=4 30457 B12R0.133 CCCC[C@@H](C)OCC(CC)CC 29afcbe0072f5c0ea4bb67ea660479bc [0,3,0,0,0,0|0,0,0]=3 30458 B12R0.133 CCCC[C@@H](C)OCC(OC)OC 82549bd3437ae2abc4626805693cb83f [0,3,0,0,0,0|1,0,0]=4 30459 B12R0.133 CCCC[C@H](C)OCC(CC)CC c46ce12f08d8c30d87d050945311d20c [0,3,0,0,0,0|0,0,0]=3 30460 B12R0.133 CCCC[C@H](C)OCC(OC)OC c17f69ad74ed7080a39952009950e746 [0,3,0,0,0,0|1,0,0]=4 30461 B12R0.133 CCOCC(C)OCC(CC)CC 1a580b9ec1b9e4b5182c92a4596a6fa3 [0,3,0,0,0,0|1,0,0]=4 30462 B12R0.147 CCC(C)CC(C)NCC(O)CC afd847f7eef07123dd10c3f16b36c30f [0,3,0,0,0,0|1,0,0]=4 30463 B12R0.147 CCC(C)CC(C)NC[C@@H](C)CC 633525f5fa284040b9beb296ee2d4ef1 [0,3,0,0,0,0|1,0,0]=4 30464 B12R0.147 CCC(C)CC(C)NC[C@H](C)CC 441553250ae1c2ee9aeb9d023b1ffa3a [0,3,0,0,0,0|1,0,0]=4 30465 B12R0.147 CCC(C)CCN(C)CC(O)CC b81a93489f1a5bdd47b3f7e95a57f37a [0,3,0,0,0,0|1,0,0]=4 30466 B12R0.147 CCC(C)CNC(C)CC(C)CC c2aaecff96db0062ebd5b8796a7ae2c6 [0,3,0,0,0,0|1,0,0]=4 30467 B12R0.147 CCC(C)COC(C)CC(C)OC eba5a64bba19e86dee4b17853354c659 [0,3,0,0,0,0|1,0,0]=4 30468 B12R0.147 CC[C@@H](C)COC(C)CC(C)OC 27c6f309f64af65ccf6b5bff864bd6f2 [0,3,0,0,0,0|1,0,0]=4 30469 B12R0.147 CC[C@H](C)COC(C)CC(C)OC 5efe4290252aa6f0c2177b82e85c1cc3 [0,3,0,0,0,0|1,0,0]=4 30470 B12R0.216 C#CC(CCCC)OCC(=C)CC 660be2d1fc29ad5ec66a3e7fcce43b5e [0,3,0,0,0,0|0,0,1]=4 30471 B12R0.216 C#CC(CCCC)OCC(=O)CC 8effa370723b9971dbdb524200a16d91 [0,3,0,0,0,0|0,0,1]=4 30472 B12R0.216 C#CC(CCCC)OCC(C)CC f3475d89ff2f7366f68d9e1929ed165f [0,3,0,0,0,0|0,0,0]=3 30473 B12R0.216 C#CC(CCCC)OCC(C)OC 27015de94cc0305dacb921ece14aed1c [0,3,0,0,0,0|1,0,0]=4 30474 B12R0.216 C#CC(CCCC)OCC(O)CO 581c62084c101a1ae70da0dc8b179754 [0,3,0,0,0,0|1,0,0]=4 30475 B12R0.216 C#CC(CCCC)OC[C@@H](C)CC da6dd400d2c6ef7ab7cdabf3f5267657 [0,3,0,0,0,0|0,0,0]=3 30476 B12R0.216 C#CC(CCCC)OC[C@@H](C)OC aa42d01fd11a7468a7fcd4539dc4e294 [0,3,0,0,0,0|1,0,0]=4 30477 B12R0.216 C#CC(CCCC)OC[C@@H](O)CO ee7aeef81ee3ccfe1578c8d0cc11ed5d [0,3,0,0,0,0|1,0,0]=4 30478 B12R0.216 C#CC(CCCC)OC[C@H](C)CC 6ac2547f271d0ce4eaf118befe6cfde5 [0,3,0,0,0,0|0,0,0]=3 30479 B12R0.216 C#CC(CCCC)OC[C@H](C)OC fd65031a64a2b6b155c2f6bda6ba616e [0,3,0,0,0,0|1,0,0]=4 30480 B12R0.216 C#CC(CCCC)OC[C@H](O)CO 2b0d096c817ea76fcc39e11351574bb6 [0,3,0,0,0,0|1,0,0]=4 30481 B12R0.216 C=C(CC)COC(CC)CCCC 085923e1b9d38246f6319b6a8e68b873 [0,3,0,0,0,0|0,0,1]=4 30482 B12R0.216 C=CC(CCCC)OCC(=C)CC 1e30d6032be75b39b6a9a5f5d07201b4 [0,3,0,0,0,0|0,0,1]=4 30483 B12R0.216 C=CC(CCCC)OCC(=O)CC 60656a5e646e724903b827cab2b6768b [0,3,0,0,0,0|0,0,1]=4 30484 B12R0.216 C=CC(CCCC)OCC(C)CC 47d4321479ed6f40981041d293e8217f [0,3,0,0,0,0|0,0,0]=3 30485 B12R0.216 C=CC(CCCC)OCC(C)OC 1d71599a32ee29b90f2446477d8da182 [0,3,0,0,0,0|1,0,0]=4 30486 B12R0.216 C=CC(CCCC)OCC(O)CO 22d6c4e96169dc9d9cc728ffe0f11db8 [0,3,0,0,0,0|1,0,0]=4 30487 B12R0.216 C=CC(CCCC)OC[C@@H](C)CC 7fccc27b135f32fbbf6948bea1b929cd [0,3,0,0,0,0|0,0,0]=3 30488 B12R0.216 C=CC(CCCC)OC[C@@H](C)OC 71d9158dcc2062b2c0311e2e5d6de1b3 [0,3,0,0,0,0|1,0,0]=4 30489 B12R0.216 C=CC(CCCC)OC[C@@H](O)CO 2980b60e09beeb26e0a74f616ac615ab [0,3,0,0,0,0|1,0,0]=4 30490 B12R0.216 C=CC(CCCC)OC[C@H](C)CC 5cd58fb8e8c23a8d021f1430adb11a03 [0,3,0,0,0,0|0,0,0]=3 30491 B12R0.216 C=CC(CCCC)OC[C@H](C)OC 785bdaddd244159fcd0be0b706dd121f [0,3,0,0,0,0|1,0,0]=4 30492 B12R0.216 C=CC(CCCC)OC[C@H](O)CO 747fe1122cd33d9e6bc90393b8aabee8 [0,3,0,0,0,0|1,0,0]=4 30493 B12R0.216 CCCCC(CC)NCC(C)CC 92d40eee50181de981832c08fbba53b8 [0,3,0,0,0,0|1,0,0]=4 30494 B12R0.216 CCCCC(CC)NCC(O)CC 7d23f77b4500aafaa5b12fb2d921094d [0,3,0,0,0,0|1,0,0]=4 30495 B12R0.216 CCCCC(CC)NC[C@@H](C)CC 59dfe0e5f1122237d8e0c4577837cf36 [0,3,0,0,0,0|1,0,0]=4 30496 B12R0.216 CCCCC(CC)NC[C@H](O)CC 8f96ec24df87f44177f16e769ff58b20 [0,3,0,0,0,0|1,0,0]=4 30497 B12R0.216 CCCCC(CC)OCC(=O)CC 8b886c7e8d24615d417f9db6f23dd0a3 [0,3,0,0,0,0|0,0,1]=4 30498 B12R0.216 CCCCC(CC)OCC(Br)CBr 17841fc7e5973b967d91d63f75a0f0c7 [0,3,0,0,0,0|1,0,0]=4 30499 B12R0.216 CCCCC(CC)OCC(C)CC f215d48cc3880e7c430462367e630919 [0,3,0,0,0,0|0,0,0]=3 30500 B12R0.216 CCCCC(CC)OCC(C)OC d33d282debd7a90425231e4d468fa735 [0,3,0,0,0,0|1,0,0]=4 30501 B12R0.216 CCCCC(CC)OCC(Cl)CCl a6d0f1a2172326724c6169e84aedac4a [0,3,0,0,0,0|1,0,0]=4 30502 B12R0.216 CCCCC(CC)OCC(O)CO a51b5b9216f71ffcbadf47c0c3daf820 [0,3,0,0,0,0|1,0,0]=4 30503 B12R0.216 CCCCC(CC)OCC(S)CS 1f7b16eefe819c0032301978749d8357 [0,3,0,0,0,0|1,0,0]=4 30504 B12R0.216 CCCCC(CC)OC[C@@H](C)CC d39e4f84bf6d6ebf5859e84a4e34bd99 [0,3,0,0,0,0|0,0,0]=3 30505 B12R0.216 CCCCC(CC)OC[C@@H](C)OC 1b7b2ae9c29566a056be5ba1bb3e6c64 [0,3,0,0,0,0|1,0,0]=4 30506 B12R0.216 CCCCC(CC)OC[C@@H](O)CO 7ed8bfdfcb69cfd353ccf5ff891ab64b [0,3,0,0,0,0|1,0,0]=4 30507 B12R0.216 CCCCC(CC)OC[C@H](C)CC 3bcab29aad0188dd56dfa250ad1314d1 [0,3,0,0,0,0|0,0,0]=3 30508 B12R0.216 CCCCC(CC)OC[C@H](C)OC c1c00b83512f66d870a3b94fd22a35fa [0,3,0,0,0,0|1,0,0]=4 30509 B12R0.216 CCCCC(CC)OC[C@H](O)CO 04ee429bd1045a6fc1c298a18cfeb40a [0,3,0,0,0,0|1,0,0]=4 30510 B12R0.216 CCCCC(CO)NCC(C)CC 126fb8a9ec2790ca49d4de24ed791bcd [0,3,0,0,0,0|1,0,0]=4 30511 B12R0.216 CCCCC(CO)NCC(O)CC 86bce008f37544a1a14945523e015888 [0,3,0,0,0,0|1,0,0]=4 30512 B12R0.216 CCCCC(CO)NC[C@@H](C)CC be83a40a35060f2cae1c7c906e731257 [0,3,0,0,0,0|1,0,0]=4 30513 B12R0.216 CCCCC(CO)NC[C@H](C)CC 175a9eb7cb6e6657685edabda267fbde [0,3,0,0,0,0|1,0,0]=4 30514 B12R0.216 CCCCC(CO)NC[C@H](O)CC b41c7862280b04083dc89a75c5ba4b6e [0,3,0,0,0,0|1,0,0]=4 30515 B12R0.216 CCCCN(CC)CCC(C)CC 55a2f89fcb05dca10be7ac22e783f16e [0,3,0,0,0,0|1,0,0]=4 30516 B12R0.216 CCCC[C@@H](CO)NCC(C)CC 489669e820fdc3f98d55e8e37d561283 [0,3,0,0,0,0|1,0,0]=4 30517 B12R0.216 CCCC[C@@H](CO)NCC(O)CC 7782d5d6ff2cf8aac5c37334178f01da [0,3,0,0,0,0|1,0,0]=4 30518 B12R0.216 CCCC[C@@H](CO)NC[C@@H](C)CC 145bad3b6ab3855420c776187736a40a [0,3,0,0,0,0|1,0,0]=4 30519 B12R0.216 CCCC[C@@H](CO)NC[C@H](C)CC 839241a2851d8a5c2895a1a053a7e1b4 [0,3,0,0,0,0|1,0,0]=4 30520 B12R0.216 CCCC[C@H](CO)NCC(C)CC 0031601dbaffa73306118bfbdfe2fd5e [0,3,0,0,0,0|1,0,0]=4 30521 B12R0.216 CCCC[C@H](CO)NCC(O)CC 371711c8f12a7ca5247656cfa1f7b393 [0,3,0,0,0,0|1,0,0]=4 30522 B12R0.216 CCCC[C@H](CO)NC[C@@H](C)CC 497a43eb212becc6a4b4da51cc448b59 [0,3,0,0,0,0|1,0,0]=4 30523 B12R0.216 CCCC[C@H](CO)NC[C@H](C)CC ff4465f3e6c4beac4f576bb357c5b2d8 [0,3,0,0,0,0|1,0,0]=4 30524 B12R0.252 CCCCC(C)N(C)CC(O)CC 8bade14086ad138343a3a98ac583aacc [0,3,0,0,0,0|1,0,0]=4 30525 B12R0.130 CCC(C)CCNCC(CC)CC e685589fd350bc9c2e6b73728c9e09cb [0,3,0,0,0,0|1,0,0]=4 30526 B12R0.130 CCC(C)CCNCC(CC)CO e669896efeb7b4a416e1621861894b6f [0,3,0,0,0,0|1,0,0]=4 30527 B12R0.130 CCC(C)CCOCC(CBr)CBr a2914cd959dd5172da717c48bb90366a [0,3,0,0,0,0|1,0,0]=4 30528 B12R0.130 CCC(C)CCOCC(CC)CC c491da39cdd47018bc113ab90862d861 [0,3,0,0,0,0|0,0,0]=3 30529 B12R0.130 CCC(C)CCOCC(CC)OC ce73d4f749de35de2f99852fa964d65b [0,3,0,0,0,0|0,0,0]=3 30530 B12R0.130 CCC(C)CCOCC(OC)OC 91baf15c8f389950ac4e1c5583949d4c [0,3,0,0,0,0|1,0,0]=4 30531 B12R0.130 CCC(C)CCOCN(CC)CC 3bf35be79a2f754184350afcf2f50d68 [0,3,0,0,0,0|1,0,0]=4 30532 B12R0.130 CCC(C)CNCCC(CC)CC 9efd13c586612dec2bb62edeb40ef25c [0,3,0,0,0,0|1,0,0]=4 30533 B12R0.130 CCC(C)COCCC(OC)OC 40526c3d235ee33eaede874747407021 [0,3,0,0,0,0|1,0,0]=4 30534 B12R0.130 CCC(C)COCCN(CC)CC 8a4fb1569150e7132184f8fbf356f6c8 [0,3,0,0,0,0|1,0,0]=4 30535 B12R0.130 CCC(CC)CCNC[C@@H](C)CC 8535ba9fdca192f59c5cec3d86a23d4c [0,3,0,0,0,0|1,0,0]=4 30536 B12R0.130 CCC(CC)CCNC[C@H](C)CC 17c82d4e059046707a60492ce5460ab2 [0,3,0,0,0,0|1,0,0]=4 30537 B12R0.130 CCC(CC)COCCC(C)OC 3554bdf750b17743382c09dc7b78dd1a [0,3,0,0,0,0|1,0,0]=4 30538 B12R0.130 CCC(CC)COCCS(=O)CC 3850f0bb6c7abe26249907c2c4e91e28 [0,3,0,0,0,0|1,0,0]=4 30539 B12R0.130 CCC(CC)COCC[C@@H](C)CC 97ba67e46f008bdd54a048aca5e77859 [0,3,0,0,0,0|0,0,0]=3 30540 B12R0.130 CCC(O)CNCCC(CC)CC ba443ae69ff146097aef4eb315b4e4b5 [0,3,0,0,0,0|1,0,0]=4 30541 B12R0.130 CCC(S)CCOCC(CC)CC 36fc616398379aaf590f6d34d03c8e74 [0,3,0,0,0,0|0,0,0]=3 30542 B12R0.130 CCC(S)CCOCC(OC)OC 3b9ba05abd65f542770d19dd796d7007 [0,3,0,0,0,0|1,0,0]=4 30543 B12R0.130 CC[C@@H](C)COCCC(OC)OC abd98e66cc01bebcfa814856f971fd07 [0,3,0,0,0,0|1,0,0]=4 30544 B12R0.130 CC[C@@H](C)COCCN(CC)CC d5d998157e314657d441647d7388d867 [0,3,0,0,0,0|1,0,0]=4 30545 B12R0.130 CC[C@H](C)CCOCC(OC)OC 421eb4cb6b7f3e4722a04a9ec1544fc9 [0,3,0,0,0,0|1,0,0]=4 30546 B12R0.130 CC[C@H](C)COCCC(OC)OC 1ac3715095121691a301bb2e45510fc5 [0,3,0,0,0,0|1,0,0]=4 30547 B12R0.130 CC[C@H](C)COCCN(CC)CC e5464f816eebf3416c69f4ec7e340b35 [0,3,0,0,0,0|1,0,0]=4 30548 B12R0.144 CCCCCN(C)CC(CC)CC 84cbbd7cfe316768b54a1887fb646591 [0,3,0,0,0,0|1,0,0]=4 30549 B12R0.144 CCCCCN(C)CC(CC)CO 154cbf8d89160cf1ec3cdd5ecb5e0fc5 [0,3,0,0,0,0|1,0,0]=4 30550 B12R0.144 CCCCOC(C)CC(OC)OC 97b506a7284aff86bfbcd145b6da72ca [0,3,0,0,0,0|1,0,0]=4 30551 B12R0.144 CCCCOC(C)CN(CC)CC 5f0c9a8a63172558402e2bfe00f9269f [0,3,0,0,0,0|1,0,0]=4 30552 B12R0.126 CCC(C)CC(CC)OCCCF a1c10de6b371c1c9f0560e67b5fe4ffa [0,3,0,0,0,0|1,0,0]=4 30553 B12R0.126 CCC(C)CC(CC)OCCCS 6d82a65a04124cd6ea73c740df18e317 [0,3,0,0,0,0|1,0,0]=4 30554 B12R0.126 CCC(C)CC(CC)OCCOC 87d2ac7ff6046b6f7620776bb877b414 [0,3,0,0,0,0|1,0,0]=4 30555 B12R0.126 CCC(C)CC(CC)OCCSC 1376b90e99a03804735a8f3499015e8b [0,3,0,0,0,0|1,0,0]=4 30556 B12R0.126 CCCCCN(CC)CC(O)CC 9e2c0aade468bcef7fbb46fa6de05412 [0,3,0,0,0,0|1,0,0]=4 30557 B12R0.126 CCCCOC(CC)CC(C)CC 76e033302bcf86a96b986d1819412c6d [0,3,0,0,0,0|0,0,0]=3 30558 B12R0.126 CCOCOC(CC)CC(C)CC d3c91aa2c1e6c8e31fc111687550bd50 [0,3,0,0,0,0|1,0,0]=4 30559 B12R0.351 CCCCC(C)N(CC)CCCC 19fbb2603cab28d29e85169c80a0503b [0,3,0,0,0,0|1,0,0]=4 30560 B12R0.351 CCCCC(CC)N(C)CCCC 17440a999195827c25f5dc291fdd8455 [0,3,0,0,0,0|1,0,0]=4 30561 B12R0.351 CCCCC(CO)N(C)CCCC ee9326223eca62f0a9d7260084153c63 [0,3,0,0,0,0|1,0,0]=4 30562 B12R0.118 C#CCN(CCCC)CCCCC c25cb267244e08433973e7d6288bce76 [0,3,0,0,0,0|1,0,0]=4 30563 B12R0.118 C=CCC(CCCC)OCCCC 71899313ed1bf1d706db142182cc906f [0,3,0,0,0,0|0,0,0]=3 30564 B12R0.118 C=CCC(CCCC)OCCCF 239523ee8db3a4001e857e41d4bcbb2d [0,3,0,0,0,0|1,0,0]=4 30565 B12R0.118 C=CCC(CCCC)OCCCS 25d04502366e521ad08152690750a167 [0,3,0,0,0,0|1,0,0]=4 30566 B12R0.118 C=CCC(CCCC)OCCOC 4221e37d51194dd8f725c04e288fe5da [0,3,0,0,0,0|1,0,0]=4 30567 B12R0.118 C=CCC(CCCC)OCCSC 9020dd9b5b6c1e4b6f7bc658bccebf02 [0,3,0,0,0,0|1,0,0]=4 30568 B12R0.118 C=CCC(CCCC)OCOCC 0bb6cb00d2f295807d93c59134f40cda [0,3,0,0,0,0|1,0,0]=4 30569 B12R0.118 C=CCN(CCCC)CCCCC 49054d7a64a49a9ce081bb86bde44cf6 [0,3,0,0,0,0|1,0,0]=4 30570 B12R0.118 CCCCC(CCC)OCCCF 679c48a9c7d0d755ac44816d23e396d5 [0,3,0,0,0,0|1,0,0]=4 30571 B12R0.118 CCCCC(CCC)OCCCS 00b3fc39ec8de280192a86c589e85227 [0,3,0,0,0,0|1,0,0]=4 30572 B12R0.118 CCCCC(CCC)OCCOC 5466c982c95e810d29b4b73dcccf77cd [0,3,0,0,0,0|1,0,0]=4 30573 B12R0.118 CCCCC(CCC)OCCSC 0d0cbeaf00b10b2a8dc92459751d432e [0,3,0,0,0,0|1,0,0]=4 30574 B12R0.118 CCCCC(CCC)OCOCC 251573f0d9c568e3fa919867e089fc24 [0,3,0,0,0,0|1,0,0]=4 30575 B12R0.118 CCCCCC(CCCC)OCC 65d9d726b9fdca5ccf68389c15e6ef14 [0,3,0,0,0,0|1,0,0]=4 30576 B12R0.118 CCCCCC(CCCC)OCF 26530da26053fea7297ac1d47ea82a4c [0,3,0,0,0,0|1,0,0]=4 30577 B12R0.118 CCCCCN(CC#N)CCCC f45acd1249c2396b3029a492818a2ddd [0,3,0,0,0,0|1,0,0]=4 30578 B12R0.118 CCCCCN(CC=O)CCCC be7a428bdbec030488b827eb9e8d425c [0,3,0,0,0,0|1,0,0]=4 30579 B12R0.118 CCCCCN(CCC)CCCC f08316be4a0bcd0b8ac1abdbc86377a4 [0,3,0,0,0,0|1,0,0]=4 30580 B12R0.118 CCCCCN(CCCC)COC 11ad06f993c3b981024e62bf2d99faef [0,3,0,0,0,0|1,0,0]=4 30581 B12R0.118 CCCCCN(CCCC)CSC a573b2313d84f0f4cae4d51a03200a71 [0,3,0,0,0,0|1,0,0]=4 30582 B12R0.118 CCCCCN(CCF)CCCC 731c64553b665484ebfc9352e357ffc1 [0,3,0,0,0,0|1,0,0]=4 30583 B12R0.118 CCCCCN(CCO)CCCC 08663dcd327cb09705556399689edcdb [0,3,0,0,0,0|1,0,0]=4 30584 B12R0.118 CCCCCN(CCS)CCCC 096a092fbd92a57e6dde31a240eb4e9c [0,3,0,0,0,0|1,0,0]=4 30585 B12R0.118 CCCCOC(CCC)CCCC 51854838a85da06875b294bad5dc3b52 [0,3,0,0,0,0|0,0,0]=3 30586 B12R0.244 CCCCC(OCCCF)C(=O)N dbb42cc4c0e49cb7fa7af6bc473bce4f [0,3,0,0,0,0|1,0,0]=4 30587 B12R0.244 CCCCC(OCCCF)C(=O)O f849a3140209177a5685b5a32d092f6e [0,3,0,0,0,0|1,0,0]=4 30588 B12R0.244 CCCCC(OCCCS)C(=O)N 9c65797b4a3f00695d175cb4f1b5d4f2 [0,3,0,0,0,0|1,0,0]=4 30589 B12R0.244 CCCCC(OCCOC)C(=O)N 23483192c02a7a363b95bf6baa13b453 [0,3,0,0,0,0|1,0,0]=4 30590 B12R0.244 CCCCC(OCCOC)C(=O)O 0ac4268c2478c7861c84f2709dbaa55f [0,3,0,0,0,0|1,0,0]=4 30591 B12R0.244 CCCCC(OCCSC)C(=O)N 3e2a17acbf2cf1bb5e4d16522bac412f [0,3,0,0,0,0|1,0,0]=4 30592 B12R0.244 CCCCC(OCCSC)C(=O)O 7d367e157b38cbba2faf17c46ea6d8d2 [0,3,0,0,0,0|1,0,0]=4 30593 B12R0.244 CCCCCN(CCCC)C(=O)C 1da719c6f3d1f104705be43276f164cc [0,3,0,0,0,0|1,0,0]=4 30594 B12R0.244 CCCCCN(CCCC)C(C)C 473ff3ccac749ed7822052b3adc22fed [0,3,0,0,0,0|1,0,0]=4 30595 B12R0.244 CCCCNC(CCCC)C(=O)N 828ba6ddecb3d17579d11e4b9825bdf1 [0,3,0,0,0,0|1,0,0]=4 30596 B12R0.244 CCCCNC(CCCC)C(=O)O b468e8fbe7ed41fc162f45fc3648a686 [0,3,0,0,0,0|1,0,0]=4 30597 B12R0.244 CCCCN[C@@H](CCCC)C(=O)O 9bd4e4e501df062c5db7a732f964a013 [0,3,0,0,0,0|1,0,0]=4 30598 B12R0.244 CCCCN[C@H](CCCC)C(=O)O 35dd084d0151b8838f0016e40bb7f81d [0,3,0,0,0,0|1,0,0]=4 30599 B12R0.244 CCCCOC(CCCC)C(=O)N 71f9c3683f126c523aad8f7e1aac6b56 [0,3,0,0,0,0|0,0,0]=3 30600 B12R0.244 CCCCOC(CCCC)C(=O)O f24968df8c2f20e5eeaf93f94eefa79c [0,3,0,0,0,0|0,0,0]=3 30601 B12R0.244 CCCCOC(CCSC)C(=O)N 651ba09e0eebd62cc9ae8e6100b9ff75 [0,3,0,0,0,0|1,0,0]=4 30602 B12R0.244 CCCCOC(CCSC)C(=O)O bc8292838b2a8791f81eae8fc03f19be [0,3,0,0,0,0|1,0,0]=4 30603 B12R0.244 CCCCO[C@@H](CCCC)C(=O)O a77a5056f007f4403dc55d9807bff437 [0,3,0,0,0,0|0,0,0]=3 30604 B12R0.244 CCCCO[C@H](CCCC)C(=O)O eb8414d73a954832387c9bb4432e45ec [0,3,0,0,0,0|0,0,0]=3 30605 B12R0.244 CCCC[C@@H](OCCCF)C(=O)O 7bf44accc445ac99663d715462e966fd [0,3,0,0,0,0|1,0,0]=4 30606 B12R0.244 CCCC[C@@H](OCCOC)C(=O)O 20c1b69a51425ef01a4bb16bf3d666f7 [0,3,0,0,0,0|1,0,0]=4 30607 B12R0.244 CCCC[C@@H](OCCSC)C(=O)O cbe089d060818aa994246c2404797efd [0,3,0,0,0,0|1,0,0]=4 30608 B12R0.244 CCCC[C@H](OCCCF)C(=O)O 521f908979c9a01988d6ab85640963a6 [0,3,0,0,0,0|1,0,0]=4 30609 B12R0.244 CCCC[C@H](OCCOC)C(=O)O d74b07149100cf2cd1fe14c7f77977eb [0,3,0,0,0,0|1,0,0]=4 30610 B12R0.244 CCCC[C@H](OCCSC)C(=O)O 94bb55a9d4e1d37bc4f313e2730d108c [0,3,0,0,0,0|1,0,0]=4 30611 B8R1.2 CCN1CCCOC1 53af203468797a49275022682d8f1a11 [2,0,0,1,0,0|1,0,0]=4 30612 B8R1.2 CCN1CCOCC1 fb923a7109dd2702dd7751939694bf0a [2,0,0,1,0,0|1,0,0]=4 30613 B8R1.8 CCNC1CCCC1 abbec96cb7bed76391f8cd34a2b780b6 [2,0,0,1,0,0|1,0,0]=4 30614 B8R1.8 CCNC1CCOC1 737206c874ca44bb4105f186d98dceaf [2,0,0,1,0,0|1,0,0]=4 30615 B8R1.8 CCN[C@@H]1CCOC1 ea8be35858401c72a252c54227d785a4 [2,0,0,1,0,0|1,0,0]=4 30616 B8R1.8 CCN[C@H]1CCOC1 769c9e7ca3f3567a61b1df1f6a912b2d [2,0,0,1,0,0|1,0,0]=4 30617 B8R1.8 CCOC1CCCC1 ce4ece9e93729f2dc32c7121b6646f41 [2,0,0,1,0,0|0,0,0]=3 30618 B8R1.8 CCOC1CCCO1 ace7c24bdcea053e870832c56c8928c4 [2,0,0,1,0,0|1,0,0]=4 30619 B8R1.8 CCOC1CCOC1 84e689fe0b2aea2f8383349931affd9e [2,0,0,1,0,0|1,0,0]=4 30620 B8R1.8 CCOC1CCSC1 04aaf8fedcad347e8e4be0984e30209b [2,0,0,1,0,0|1,0,0]=4 30621 B8R1.8 CCO[C@@H]1CCOC1 dbd17ccad3cb41f9c7226e5aa5839784 [2,0,0,1,0,0|1,0,0]=4 30622 B8R1.8 CCO[C@@H]1CCSC1 6024b564e26ca7e04d7b02930d2316cc [2,0,0,1,0,0|1,0,0]=4 30623 B8R1.8 CCO[C@H]1CCOC1 086f16e0470dc00d3e8d35a058f10144 [2,0,0,1,0,0|1,0,0]=4 30624 B8R1.8 CCO[C@H]1CCSC1 2e0bfb0e7ce3291350197a8c174a6264 [2,0,0,1,0,0|1,0,0]=4 30625 B8R1.8 FCOC1CCCC1 3a18d808c8ea803a7e2173107aa8436c [2,0,0,1,0,0|1,0,0]=4 30626 B8R1.9 CC1CC1COCF 0efb070ccdbaf1808a5f5a5c1bb3e217 [2,0,0,1,0,0|1,0,0]=4 30627 B8R1.9 CCCNC1CC1C 0a698bf1fb13624ef2e48e54bc092aff [2,0,0,1,0,0|1,0,0]=4 30628 B8R1.9 CCOCC1CC1C a1ad259ec9fec6cbcfa8781679544c1d [2,0,0,1,0,0|0,0,0]=3 30629 B8R1.9 CCOC[C@@H]1C[C@@H]1C 4ce6bf2d2de734fe8f28315de3f63974 [2,0,0,1,0,0|0,0,0]=3 30630 B8R1.9 CCOC[C@@H]1C[C@@H]1F db758449eba7d2e7e36821e031da9137 [2,0,0,1,0,0|1,0,0]=4 30631 B8R1.9 CCOC[C@@H]1C[C@H]1C f1e8faba0bc503df2acdbd86da05c1cd [2,0,0,1,0,0|0,0,0]=3 30632 B8R1.9 CCOC[C@@H]1C[C@H]1F a4da9189be2096295421277fd4558e25 [2,0,0,1,0,0|1,0,0]=4 30633 B8R1.9 CCOC[C@H]1C[C@@H]1C d0e5d8760a155c6ca9b44bd743e35a53 [2,0,0,1,0,0|0,0,0]=3 30634 B8R1.9 CCOC[C@H]1C[C@@H]1F 5f54e7028448009590800dc65a5252c0 [2,0,0,1,0,0|1,0,0]=4 30635 B8R1.9 CCOC[C@H]1C[C@H]1F a0dc68094174f3a27ca99829c0ae9c07 [2,0,0,1,0,0|1,0,0]=4 30636 B8R1.9 C[C@@H]1C[C@H]1COCF 129ba0ab352aefcfce2349cccfe0fa1e [2,0,0,1,0,0|1,0,0]=4 30637 B8R1.9 C[C@H]1C[C@@H]1COCF 308b12cf24ad8c00d69839382d63f20d [2,0,0,1,0,0|1,0,0]=4 30638 B8R1.9 C[C@H]1C[C@H]1COCF 579e56ca8b8650dc1966dcbdfcaad8aa [2,0,0,1,0,0|1,0,0]=4 30639 B8R1.10 CCCCN1CCC1 7fbca42388bc0dd3c1b836c8bc1c15ea [2,0,0,1,0,0|1,0,0]=4 30640 B8R1.10 CCCNC1CCC1 0d5b8030ddd2a1e07521f601d888db58 [2,0,0,1,0,0|1,0,0]=4 30641 B8R1.10 CCCOC1CCC1 56704029ca064ce456cbec81788df6b2 [2,0,0,1,0,0|0,0,0]=3 30642 B8R1.10 CCCOC1COC1 cec208fe33e8a6631cedc1d889971cbc [2,0,0,1,0,0|1,0,0]=4 30643 B8R1.10 CCCOC1CSC1 10378f1ff5d1e14a6df527902f8b7380 [2,0,0,1,0,0|1,0,0]=4 30644 B8R1.10 CCNCC1CCC1 51789aa8cde681373936f52aa711708a [2,0,0,1,0,0|1,0,0]=4 30645 B8R1.10 CCNCC1CCO1 adc8bc943b2800391aa94f7416a09286 [2,0,0,1,0,0|1,0,0]=4 30646 B8R1.10 CCNC[C@@H]1CCO1 9aba48d1f47470a09a7d35987a5e8ef0 [2,0,0,1,0,0|1,0,0]=4 30647 B8R1.10 CCNC[C@H]1CCO1 31fbc41ff0d13846dbeceac9b5a26021 [2,0,0,1,0,0|1,0,0]=4 30648 B8R1.10 CCOCC1CCC1 d50b1f59edc7cd2c85ebc568d9e5d0da [2,0,0,1,0,0|0,0,0]=3 30649 B8R1.10 CCOCC1CCO1 46f20f884871fb02e5439ea768f341df [2,0,0,1,0,0|1,0,0]=4 30650 B8R1.10 CCOCC1COC1 621a8da02f0fe0ab29cada8705175bfc [2,0,0,1,0,0|1,0,0]=4 30651 B8R1.10 CCOCC1CSC1 e23c247dcc48d2cce0b10a2474f2de8e [2,0,0,1,0,0|1,0,0]=4 30652 B8R1.10 CCOCN1CCC1 7f8bcaafce643ae0c473400a947eab9d [2,0,0,1,0,0|1,0,0]=4 30653 B8R1.10 CCOC[C@@H]1CCO1 8e7e4c4711f67b56ad5c5f6f6bf92524 [2,0,0,1,0,0|1,0,0]=4 30654 B8R1.10 CCOC[C@H]1CCO1 4172e43302b2071a73023d12b6c9bf61 [2,0,0,1,0,0|1,0,0]=4 30655 B8R1.10 COCOC1CCC1 815d450af25718aa938c6c87b5efb59c [2,0,0,1,0,0|1,0,0]=4 30656 B8R1.10 CSCOC1CCC1 9e9206e1e63ba2bb085e78defc972ddf [2,0,0,1,0,0|1,0,0]=4 30657 B8R1.10 FCCOC1CCC1 75a2bd44685d508f7ff51a0a88fb2201 [2,0,0,1,0,0|1,0,0]=4 30658 B8R1.10 FCOCC1CCC1 84fe76da6760c3f505ffe7ca74fa4c75 [2,0,0,1,0,0|1,0,0]=4 30659 B8R1.10 SCCOC1CCC1 1482898a71989edc1d995899e2c14489 [2,0,0,1,0,0|1,0,0]=4 30660 B8R1.11 CCN1CCCC1C 74d058d7956efbc8ae4ef590fc86d9c6 [2,0,0,1,0,0|1,0,0]=4 30661 B8R1.11 CCN1CCC[C@@H]1C 5bf7e722ced97ef7aec7490b4d0dc25a [2,0,0,1,0,0|1,0,0]=4 30662 B8R1.11 CCN1CCC[C@H]1C e74b9532535bc2eef7ae4850e9df5331 [2,0,0,1,0,0|1,0,0]=4 30663 B8R1.12 CCC1CCN1CC 821fbbe29ed1b9d1547efa94187e7e9f [2,0,0,1,0,0|1,0,0]=4 30664 B8R1.13 CCNC1COC1C 374ee97892517da30cf5002a479f4531 [2,0,0,1,0,0|1,0,0]=4 30665 B8R1.13 CCN[C@@H]1CC[C@H]1C b2a7a1306f6d284a439c237328784f14 [2,0,0,1,0,0|1,0,0]=4 30666 B8R1.13 CCN[C@H]1CC[C@H]1C afc3ebb3c9df554bbf3e4778dd720d68 [2,0,0,1,0,0|1,0,0]=4 30667 B8R1.13 CCOC1COC1C 292e3380dc65ec96d8cfb63b3a1d4796 [2,0,0,1,0,0|1,0,0]=4 30668 B8R1.36 CCCCNC1CC1 764bf1f8d84e4797d549516a157f8bac [2,0,0,1,0,0|1,0,0]=4 30669 B8R1.36 CCCCOC1CC1 b14c6fcb6c68d146170e866704fcb560 [2,0,0,1,0,0|0,0,0]=3 30670 B8R1.36 CCCNCC1CC1 f3b3545bffc9f73f028676bee3a097f9 [2,0,0,1,0,0|1,0,0]=4 30671 B8R1.36 CCCOCC1CC1 97e988fcebd27b4b9691b615e5b007d8 [2,0,0,1,0,0|0,0,0]=3 30672 B8R1.36 CCNCCC1CC1 c403e5d19efa9bd3bd9474a55fa91f77 [2,0,0,1,0,0|1,0,0]=4 30673 B8R1.36 CCOCCC1CC1 fc916bef9b2390c47f74a3ae85c46af3 [2,0,0,1,0,0|0,0,0]=3 30674 B8R1.36 CCOCCN1CC1 420c09a8d953a3f650ca657aa96dbcd4 [2,0,0,1,0,0|1,0,0]=4 30675 B8R1.36 CCOCNC1CC1 299c45bda3118c3807c19afa9d974d2a [2,0,0,1,0,0|1,0,0]=4 30676 B8R1.36 CCOCOC1CC1 bce4418f9eac059bbaa462d4f904ef31 [2,0,0,1,0,0|1,0,0]=4 30677 B8R1.36 COCCOC1CC1 bd93b00ba0625a0a13902f72530e30b8 [2,0,0,1,0,0|1,0,0]=4 30678 B8R1.36 COCOCC1CC1 f15c6edec1bc27e0534666e04c14e6be [2,0,0,1,0,0|1,0,0]=4 30679 B8R1.36 CSCCOC1CC1 e0981e8f108a928e73043af2d2e56c46 [2,0,0,1,0,0|1,0,0]=4 30680 B8R1.36 CSCOCC1CC1 3d32bb66f1695fc62d4bc9b15027217a [2,0,0,1,0,0|1,0,0]=4 30681 B8R1.36 FCCCOC1CC1 bb339c263ecd231d95ac2857b20ce9e1 [2,0,0,1,0,0|1,0,0]=4 30682 B8R1.36 FCCOCC1CC1 49eef687c32d9587000ea915a92c8879 [2,0,0,1,0,0|1,0,0]=4 30683 B8R1.36 FCOCCC1CC1 05e4af345a0e47e30a799f36a5de9ee5 [2,0,0,1,0,0|1,0,0]=4 30684 B8R1.36 SCCCOC1CC1 1939a9925ba22e18c2a17bb309b3e238 [2,0,0,1,0,0|1,0,0]=4 30685 B8R1.36 SCCOCC1CC1 c7570effdfd289e3b528303f8e11797c [2,0,0,1,0,0|1,0,0]=4 30686 B10R1.10 CCCN1CCCC(C1)C 10722657823b505b789ed627a8c61fd8 [1,1,0,1,0,0|1,0,0]=4 30687 B10R1.10 CCCN1CCCC(C1)F 7dc4935d02b24a77da044aead3fa79bb [1,1,0,1,0,0|1,0,0]=4 30688 B10R1.10 CCCN1CCCC(C1)O 4b5e31bc75a412042a98cda95cb657d2 [1,1,0,1,0,0|1,0,0]=4 30689 B10R1.10 CCCN1CCC[C@@H](C1)C 42accd0af676748aeef95475de04bd47 [1,1,0,1,0,0|1,0,0]=4 30690 B10R1.10 CCCN1CCC[C@@H](C1)F 655b7fb681405c091683da35875fbf8f [1,1,0,1,0,0|1,0,0]=4 30691 B10R1.10 CCCN1CCC[C@@H](C1)O b4f8b28199658b903bd200d0f10150d0 [1,1,0,1,0,0|1,0,0]=4 30692 B10R1.10 CCCN1CCC[C@H](C1)C 3fdfd8108804c0fcef74b387a8d79dff [1,1,0,1,0,0|1,0,0]=4 30693 B10R1.10 CCCN1CCC[C@H](C1)F 4f7de714dd023c0ae9b3a6f4a5d7984e [1,1,0,1,0,0|1,0,0]=4 30694 B10R1.10 CCCN1CCC[C@H](C1)O dd2f52a0ca3a05a39c7e198c74003e98 [1,1,0,1,0,0|1,0,0]=4 30695 B10R1.10 CCNC1CCCC(C1)C 77f1f79b4adaf95ab4b9ef12620388b0 [1,1,0,1,0,0|1,0,0]=4 30696 B10R1.10 CCNC1CCCC(C1)O 113e722fc1e449e3e54ccf67b4ce78a7 [1,1,0,1,0,0|1,0,0]=4 30697 B10R1.10 CCNC1COCC(C1)O 340be1c934b2bc1c12010a9ab3c1fbef [1,1,0,1,0,0|1,0,0]=4 30698 B10R1.10 CCN[C@@H]1CCC[C@@H](C1)O 7f9bb0b6d56b12bb66d83f760d316ab1 [1,1,0,1,0,0|1,0,0]=4 30699 B10R1.10 CCN[C@@H]1CCC[C@H](C1)C b54432e71e2a2bf8bdf4246e5c24a915 [1,1,0,1,0,0|1,0,0]=4 30700 B10R1.10 CCN[C@@H]1CCC[C@H](C1)O 396290b6b5db7e9cb63a3fcf9b0c183b [1,1,0,1,0,0|1,0,0]=4 30701 B10R1.10 CCN[C@@H]1COC[C@@H](C1)O 7840188672ad7674ecaa04436040760e [1,1,0,1,0,0|1,0,0]=4 30702 B10R1.10 CCN[C@H]1CCC[C@@H](C1)O 79d8666b7770f893e752839182a97ad1 [1,1,0,1,0,0|1,0,0]=4 30703 B10R1.10 CCN[C@H]1CCC[C@H](C1)O 5b66beda661cb9accdacd389931ec98f [1,1,0,1,0,0|1,0,0]=4 30704 B10R1.10 CCN[C@H]1COC[C@H](C1)O cb5a7c85d2b17854abcf72b817371a4f [1,1,0,1,0,0|1,0,0]=4 30705 B10R1.10 CCOC1CCCC(C1)C 05d0af7621eacccee87006fe3e417b13 [1,1,0,1,0,0|1,0,0]=4 30706 B10R1.10 CCO[C@@H]1CCC[C@@H](C1)C ce55d21559242a12587fb793cf17f8c8 [1,1,0,1,0,0|1,0,0]=4 30707 B10R1.10 CCO[C@H]1CCC[C@@H](C1)C 39c7f1f81843ee831419d80230008049 [1,1,0,1,0,0|1,0,0]=4 30708 B10R1.10 CCO[C@H]1CCC[C@H](C1)C c3bbffbe08f75b723c5a87fe9bd00adc [1,1,0,1,0,0|1,0,0]=4 30709 B10R1.16 CC1CCC(C1)OCCF 2301a27dff0ad539f97302f25d5f8b84 [1,1,0,1,0,0|1,0,0]=4 30710 B10R1.16 CC1CCC(C1)OCCS af2309209df125250ffb5756454c2d0b [1,1,0,1,0,0|1,0,0]=4 30711 B10R1.16 CCCCN1CCC(C1)C abcd4eb07501d0ef1eabf170b98b1f20 [1,1,0,1,0,0|1,0,0]=4 30712 B10R1.16 CCCCN1CCC(C1)F 61894aee8e279c5c6de4444be52dae74 [1,1,0,1,0,0|1,0,0]=4 30713 B10R1.16 CCCCN1CCC(C1)O 584db9ab75df990a992c8592cd74cb04 [1,1,0,1,0,0|1,0,0]=4 30714 B10R1.16 CCCCN1CC[C@@H](C1)F 502b1f1b10e0569135b4ef97e45a5913 [1,1,0,1,0,0|1,0,0]=4 30715 B10R1.16 CCCCN1CC[C@@H](C1)O b5851d6be3a4e1fb5c92f6bf54ffb635 [1,1,0,1,0,0|1,0,0]=4 30716 B10R1.16 CCCCN1CC[C@H](C1)F c3fa88f32de51ef10987357b92b3033c [1,1,0,1,0,0|1,0,0]=4 30717 B10R1.16 CCCCN1CC[C@H](C1)O e5dbb9cf9ec2abf54bbd5a4dcb2f08ad [1,1,0,1,0,0|1,0,0]=4 30718 B10R1.16 CCCNC1CCC(C1)C 8e1eee1cf19b8113d412d0e1b4ce9dc5 [1,1,0,1,0,0|1,0,0]=4 30719 B10R1.16 CCCNC1CCC(C1)O f1b335e63d27b53f1a1b6a1c3d09f7f2 [1,1,0,1,0,0|1,0,0]=4 30720 B10R1.16 CCCN[C@@H]1CC[C@@H](C1)O 2205b6593b5f673891de8852dfa6826b [1,1,0,1,0,0|1,0,0]=4 30721 B10R1.16 CCCN[C@@H]1CC[C@H](C1)O d9fd8f02ee8da6c0ca51876478c2a65b [1,1,0,1,0,0|1,0,0]=4 30722 B10R1.16 CCCN[C@H]1CC[C@@H](C1)O 9e176b3a99876099d4ac464218d7b1a2 [1,1,0,1,0,0|1,0,0]=4 30723 B10R1.16 CCCN[C@H]1CC[C@H](C1)O 2723f1f883a3f877474673609328126f [1,1,0,1,0,0|1,0,0]=4 30724 B10R1.16 CCCOC1CCC(=O)C1 0118665d271ddbcc63e9ba5f111fa1f6 [1,1,0,1,0,0|0,0,1]=4 30725 B10R1.16 CCCOC1CCC(C1)C 4c3271bf295e1e813aee802c80b0bc80 [1,1,0,1,0,0|0,0,0]=3 30726 B10R1.16 CCCOC1CCC(C1)F 0a3efc126434081ed08d93688d77b1de [1,1,0,1,0,0|0,0,0]=3 30727 B10R1.16 CCCOC1CCN(C1)C 51d0e4484f68bc937fe5d3dc0e44a482 [1,1,0,1,0,0|1,0,0]=4 30728 B10R1.16 CCCOC1COC(C1)C dbfd326515433e29e7f818bdb21b579b [1,1,0,1,0,0|1,0,0]=4 30729 B10R1.16 CCCO[C@@H]1CCN(C1)C 2ed16c20b1d5bf716314686dbae40781 [1,1,0,1,0,0|1,0,0]=4 30730 B10R1.16 CCCO[C@H]1CCN(C1)C 2f5b3848f05637511d1c805e3f5976cd [1,1,0,1,0,0|1,0,0]=4 30731 B10R1.16 CCNCC1CCC(C1)O 2a62b49b03dc9bd9c9667922aa8236db [1,1,0,1,0,0|1,0,0]=4 30732 B10R1.16 CCOCC1CCC(C1)C 2eaf15edb5ef2d5f237ff410d767e3e1 [1,1,0,1,0,0|1,0,0]=4 30733 B10R1.16 CCOCC1CCC(C1)F c6d000126090c91f22ba77f653274da2 [1,1,0,1,0,0|1,0,0]=4 30734 B10R1.16 CCOCC1CCC(O1)C 8e264e7c24328ed86afa8787e8a69f5c [1,1,0,1,0,0|1,0,0]=4 30735 B10R1.16 CCOC[C@@H]1CC[C@@H](O1)C 4f0c512b610bf512c3ea8df23193a17f [1,1,0,1,0,0|1,0,0]=4 30736 B10R1.16 CCOC[C@@H]1CC[C@H](C1)F ca3e301d1297655f92089c73646f5032 [1,1,0,1,0,0|1,0,0]=4 30737 B10R1.16 CCOC[C@H]1CC[C@H](C1)F aee98374f4547f236b5896c9d8401491 [1,1,0,1,0,0|1,0,0]=4 30738 B10R1.16 COCOC1CCC(C1)C a18e70e446e6abfc3762ffb2ac50da2b [1,1,0,1,0,0|1,0,0]=4 30739 B10R1.16 COCOC1CCC(C1)F fb74ea7460445c744b13c89aadf93ce8 [1,1,0,1,0,0|1,0,0]=4 30740 B10R1.16 CSCOC1CCC(C1)C e54564103161c7d1e721bf905d3fc085 [1,1,0,1,0,0|1,0,0]=4 30741 B10R1.16 CSCOC1CCC(C1)F 7de5d74f1e6bc538cc25ece70f488aa7 [1,1,0,1,0,0|1,0,0]=4 30742 B10R1.16 FC1CCC(C1)OCCS 747069c24fed326b50e44fa02d45e2da [1,1,0,1,0,0|1,0,0]=4 30743 B10R1.16 FCCOC1CCC(C1)F 94cb4996119ebae5b3c5e6668b9ebead [1,1,0,1,0,0|1,0,0]=4 30744 B10R1.18 CC(C)CN1CCCOC1 1fbf6b85ff372886636812b2c5b5cd27 [1,1,0,1,0,0|1,0,0]=4 30745 B10R1.18 CC(C)NC1CCCOC1 a0459c7ac2489963525e7e4e6144759e [1,1,0,1,0,0|1,0,0]=4 30746 B10R1.18 CC(C)N[C@@H]1CCCOC1 99f1088d63e6f9b69880cefebe54383f [1,1,0,1,0,0|1,0,0]=4 30747 B10R1.18 CC(C)N[C@H]1CCCOC1 c9a26991aad1c27352df9c75ffeb1bc5 [1,1,0,1,0,0|1,0,0]=4 30748 B10R1.18 CC(C)OC1CCCCC1 901407d6daa772a248b53aa4b6ac8e30 [1,1,0,1,0,0|1,0,0]=4 30749 B10R1.18 CC(C)OC1CCCCO1 cd0775eac08e04c38cddc5a061e10e3a [1,1,0,1,0,0|1,0,0]=4 30750 B10R1.18 CC(C)OC1CCCOC1 5be5a80933617284aa64105ed9715aba [1,1,0,1,0,0|1,0,0]=4 30751 B10R1.18 CC(C)O[C@@H]1CCCOC1 8d8ab022df163db6b8ed39810cc25da7 [1,1,0,1,0,0|1,0,0]=4 30752 B10R1.18 CC(C)O[C@H]1CCCOC1 5749e494adb9caff7ffd9a16c12611f1 [1,1,0,1,0,0|1,0,0]=4 30753 B10R1.18 CC(O)CN1CCCOC1 c40114a9128a60afcfad2437dcef7ced [1,1,0,1,0,0|1,0,0]=4 30754 B10R1.18 C[C@@H](O)CN1CCCOC1 d8e71517ae6a005313b25ca5ec2f06bf [1,1,0,1,0,0|1,0,0]=4 30755 B10R1.18 C[C@H](O)CN1CCCOC1 7ff30db8101003fb1f26a8ecbfd22668 [1,1,0,1,0,0|1,0,0]=4 30756 B10R1.24 C=C1CC(C1)COCCC c4738b1d34fdccc68f381f8fd9489731 [1,1,0,1,0,0|0,0,1]=4 30757 B10R1.24 CC1CC(C1)COCCF 0e62794d95ef7c5ababd4618605390bc [1,1,0,1,0,0|1,0,0]=4 30758 B10R1.24 CC1CC(C1)COCCS 4b3de0b10f45f2119bf68e2cbb136e76 [1,1,0,1,0,0|1,0,0]=4 30759 B10R1.24 CC1CC(C1)OCCCF 5e18fdb497281ec0717a31faae9940d9 [1,1,0,1,0,0|1,0,0]=4 30760 B10R1.24 CC1CC(C1)OCCCS a1953735110da53ec104bac8093c328c [1,1,0,1,0,0|1,0,0]=4 30761 B10R1.24 CCCCCN1CC(C1)F b52195e00250bea24aa3defbeabd6fdc [1,1,0,1,0,0|1,0,0]=4 30762 B10R1.24 CCCCCN1CC(C1)O 03eefc394e5b33e5b229a7010d3392ea [1,1,0,1,0,0|1,0,0]=4 30763 B10R1.24 CCCCNC1CC(C1)F 95aa6bd816a6ef9d4e250976b3fcdcd9 [1,1,0,1,0,0|1,0,0]=4 30764 B10R1.24 CCCCNC1CC(C1)O 5de3a0fd4173595211531deeaa94ddf0 [1,1,0,1,0,0|1,0,0]=4 30765 B10R1.24 CCCCN[C@H]1C[C@@H](C1)F 2bb4b4cf7c3b259843ad9ae7cc6ae98d [1,1,0,1,0,0|1,0,0]=4 30766 B10R1.24 CCCCN[C@H]1C[C@@H](C1)O 702a5fcff4bb1c86029920e74f1beb43 [1,1,0,1,0,0|1,0,0]=4 30767 B10R1.24 CCCCN[C@H]1C[C@H](C1)F e67351ce059943233feb50877f419c1a [1,1,0,1,0,0|1,0,0]=4 30768 B10R1.24 CCCCN[C@H]1C[C@H](C1)O 010982ec829ea6b9165163d2f0ba5622 [1,1,0,1,0,0|1,0,0]=4 30769 B10R1.24 CCCCOC1CC(=O)C1 43b0c4e9c07f019289d4808f2589a0f4 [1,1,0,1,0,0|0,0,1]=4 30770 B10R1.24 CCCCOC1CC(C1)C 46172388f175220efff660177940dadb [1,1,0,1,0,0|0,0,0]=3 30771 B10R1.24 CCCCOC1CC(C1)F b697fc0c5e24dccec9e198376fc6ffbb [1,1,0,1,0,0|0,0,0]=3 30772 B10R1.24 CCCCOC1CN(C1)C d6917525821e9919d431ba4c112c9a14 [1,1,0,1,0,0|1,0,0]=4 30773 B10R1.24 CCCCO[C@H]1C[C@@H](C1)F 1c8d57d0e3a86703db873e341ad2a242 [1,1,0,1,0,0|0,0,0]=3 30774 B10R1.24 CCCCO[C@H]1C[C@H](C1)F f145977abb5b763d5495c8b01ed6f759 [1,1,0,1,0,0|0,0,0]=3 30775 B10R1.24 CCCNCC1CC(C1)C d3df9a21db6a0cdb8d4016b1b7a01fb4 [1,1,0,1,0,0|1,0,0]=4 30776 B10R1.24 CCCNCC1CC(C1)O daeee638446258ac3f4937fead314869 [1,1,0,1,0,0|1,0,0]=4 30777 B10R1.24 CCCNC[C@H]1C[C@@H](C1)O 4097dcbdfaaddd09739b99a729f30622 [1,1,0,1,0,0|1,0,0]=4 30778 B10R1.24 CCCNC[C@H]1C[C@H](C1)F a73936533c61ce2d80deeed90e31c663 [1,1,0,1,0,0|1,0,0]=4 30779 B10R1.24 CCCNC[C@H]1C[C@H](C1)O 35042c873eed1530d818e5ea4dc52b49 [1,1,0,1,0,0|1,0,0]=4 30780 B10R1.24 CCCOCC1CC(=O)C1 a1cbdd7bcf1e991eeb69ed53fa2d5fe5 [1,1,0,1,0,0|0,0,1]=4 30781 B10R1.24 CCCOCC1CC(C1)C bf64edb922f5bed09bc73c12f18ebfce [1,1,0,1,0,0|0,0,0]=3 30782 B10R1.24 CCCOCC1CC(C1)F a561a1b8b3753ce67bfed86a835d3056 [1,1,0,1,0,0|0,0,0]=3 30783 B10R1.24 CCCOCC1CN(C1)C 5a73f2febfeb0100b7b1d84c61ca85b4 [1,1,0,1,0,0|1,0,0]=4 30784 B10R1.24 CCCOC[C@H]1C[C@@H](C1)C 8e841ac166ade47b486466a7d174692c [1,1,0,1,0,0|0,0,0]=3 30785 B10R1.24 CCCOC[C@H]1C[C@H](C1)F 5faa62446fa5777b9ddcd106513908ba [1,1,0,1,0,0|0,0,0]=3 30786 B10R1.24 CCOCOC1CC(C1)C 9fd8f1859e518fb6ad55916d89225e37 [1,1,0,1,0,0|1,0,0]=4 30787 B10R1.24 CCOCOC1CC(C1)F aee7433cb0ba08ec9997e35f4f049f8a [1,1,0,1,0,0|1,0,0]=4 30788 B10R1.24 CCOCO[C@H]1C[C@@H](C1)F d638950e0d5f4be62b46a4965d9446a1 [1,1,0,1,0,0|1,0,0]=4 30789 B10R1.24 CCOCO[C@H]1C[C@H](C1)F a7b714ca5fffb9dcfab7e9bc9c2773eb [1,1,0,1,0,0|1,0,0]=4 30790 B10R1.24 COCCOC1CC(C1)C fa9f999f63405e6c1ed4abe366d267a6 [1,1,0,1,0,0|1,0,0]=4 30791 B10R1.24 COCCOC1CC(C1)F e65ab0a28720d4af716690fb90c46081 [1,1,0,1,0,0|1,0,0]=4 30792 B10R1.24 COCCO[C@H]1C[C@@H](C1)F c4573f703a60d7e2499191855a44b26c [1,1,0,1,0,0|1,0,0]=4 30793 B10R1.24 COCCO[C@H]1C[C@H](C1)F ce921bcbfbc5b59fc974abb697c96907 [1,1,0,1,0,0|1,0,0]=4 30794 B10R1.24 COCOCC1CC(C1)C 967ec48dc2879771fe074ee24f7d9f3e [1,1,0,1,0,0|1,0,0]=4 30795 B10R1.24 COCOCC1CC(C1)F ddeeb5c5b254ff6882ad715fdd517716 [1,1,0,1,0,0|1,0,0]=4 30796 B10R1.24 COCOC[C@H]1C[C@@H](C1)C e7a6708ccd05387d793441c3f954aef4 [1,1,0,1,0,0|1,0,0]=4 30797 B10R1.24 COCOC[C@H]1C[C@H](C1)F aabfaf6880ff234f3aa15e49b4e90fdb [1,1,0,1,0,0|1,0,0]=4 30798 B10R1.24 CSCCOC1CC(C1)C 4fdf3226f85f5f08b015a215cc89b6e3 [1,1,0,1,0,0|1,0,0]=4 30799 B10R1.24 CSCCOC1CC(C1)F 613e2bf179534ed44cc1ea9b4cdec7cf [1,1,0,1,0,0|1,0,0]=4 30800 B10R1.24 CSCCO[C@H]1C[C@@H](C1)F ea86d39056fe335b7bcc4e8b0b4f672d [1,1,0,1,0,0|1,0,0]=4 30801 B10R1.24 CSCCO[C@H]1C[C@H](C1)F c38e5b14cd0ba49a8ef4cfdef6372755 [1,1,0,1,0,0|1,0,0]=4 30802 B10R1.24 CSCOCC1CC(C1)C bc59dec851e565fd8f28fc753316f047 [1,1,0,1,0,0|1,0,0]=4 30803 B10R1.24 CSCOCC1CC(C1)F ca1615190fce462ec0b5daef19f59c48 [1,1,0,1,0,0|1,0,0]=4 30804 B10R1.24 CSCOC[C@H]1C[C@@H](C1)C d412699b1c7a4417ba367a22534ea84e [1,1,0,1,0,0|1,0,0]=4 30805 B10R1.24 C[C@H]1C[C@@H](C1)COCCF 0961bfc2c600b3e67c12ba92e664a5e6 [1,1,0,1,0,0|1,0,0]=4 30806 B10R1.24 C[C@H]1C[C@@H](C1)COCCS afd7e92a7ebe93d703cdc0d848b2fa6b [1,1,0,1,0,0|1,0,0]=4 30807 B10R1.24 FC1CC(C1)COCCS ffe2bb16c2364a488348059562e09ac9 [1,1,0,1,0,0|1,0,0]=4 30808 B10R1.24 FC1CC(C1)OCCCS 6f2b2c44298c1b954a9873e5156b6e52 [1,1,0,1,0,0|1,0,0]=4 30809 B10R1.24 FCCCOC1CC(C1)F 8530231467f3946dcb78ca9ac96536a6 [1,1,0,1,0,0|1,0,0]=4 30810 B10R1.24 FCCCO[C@H]1C[C@@H](C1)F 8d84127d0ec04d252fcb58f0a09a675e [1,1,0,1,0,0|1,0,0]=4 30811 B10R1.24 FCCCO[C@H]1C[C@H](C1)F 6072063189a716c5a07c4bffd3489b99 [1,1,0,1,0,0|1,0,0]=4 30812 B10R1.24 FCCOCC1CC(C1)F 2751c52e3eeb88c6770507aae7fd6f44 [1,1,0,1,0,0|1,0,0]=4 30813 B10R1.24 F[C@H]1C[C@@H](C1)OCCCS 3b9b353d429b57d740bcc029db55108b [1,1,0,1,0,0|1,0,0]=4 30814 B10R1.24 F[C@H]1C[C@H](C1)COCCS 9a613b4c6d035a4060210788fc9d3e23 [1,1,0,1,0,0|1,0,0]=4 30815 B10R1.24 F[C@H]1C[C@H](C1)OCCCS b84b08e5c3d29f706df219ff70357d6e [1,1,0,1,0,0|1,0,0]=4 30816 B10R1.38 CCN1CCCCC1(C)C d8e3ccc7da112707e92b3a7953270a21 [1,1,0,1,0,0|1,0,0]=4 30817 B10R1.38 CCN1CCOCC1(C)C 9a334189565337c2ee20ed079cc30dd4 [1,1,0,1,0,0|1,0,0]=4 30818 B10R1.39 CCC1CCCN1C(C)C cc62b4732a6e7f5a04b8299bc0e2343e [1,1,0,1,0,0|1,0,0]=4 30819 B10R1.39 CCN1CCCC1C(C)C 9c0f27f4ef2f46fb800dcd029b9d2e60 [1,1,0,1,0,0|1,0,0]=4 30820 B10R1.39 CCN1CCCC1C(C)O 2fe3ff32d123d261dc32a6b4f6dd875a [1,1,0,1,0,0|1,0,0]=4 30821 B10R1.39 CCN1CCC[C@@H]1C(C)O 2fcc2db5a9ea947bbbe3b9ddb7004abd [1,1,0,1,0,0|1,0,0]=4 30822 B10R1.39 CCN1CCC[C@H]1C(C)C 80b479c687f9734bae23a3f63f622ae1 [1,1,0,1,0,0|1,0,0]=4 30823 B10R1.39 CCN1CCC[C@H]1[C@H](C)O d149234dfbaffe72611b5ed16adf7902 [1,1,0,1,0,0|1,0,0]=4 30824 B10R1.39 CC[C@@H]1CCCN1C(C)C 821406c7e8150b2d7a7ad82202312d34 [1,1,0,1,0,0|1,0,0]=4 30825 B10R1.61 CC(C)N1CCCCC1C 9ac5fbc6ee674701aab9a9a1ff567ce3 [1,1,0,1,0,0|1,0,0]=4 30826 B10R1.61 CC(C)N1CCCC[C@@H]1C 7adfce6a2a42b8d435d83f3fc74fdcdb [1,1,0,1,0,0|1,0,0]=4 30827 B10R1.61 CC(C)N1CCCC[C@H]1C 617265396d9b77f5fb482ded976db838 [1,1,0,1,0,0|1,0,0]=4 30828 B10R1.61 CC(C)N1CCOCC1C cebf761011b10e8bc14365a40d3e5b37 [1,1,0,1,0,0|1,0,0]=4 30829 B10R1.61 CC(C)N1CCOC[C@@H]1C 8489160be9088b949f65f679cc1300ee [1,1,0,1,0,0|1,0,0]=4 30830 B10R1.61 CC(C)N1CCOC[C@H]1C 6d8de1b069bcb1095097bd81a8845a91 [1,1,0,1,0,0|1,0,0]=4 30831 B10R1.64 CC(C)CN1CCCC1C 60655d0bf9339128ee0c59c47faa180f [1,1,0,1,0,0|1,0,0]=4 30832 B10R1.64 CC(C)CN1CCC[C@@H]1C f9257a4b233727595f8fa72243971beb [1,1,0,1,0,0|1,0,0]=4 30833 B10R1.64 CC(C)CN1CCC[C@H]1C 72b3108669eb84aab066e2a007eb3336 [1,1,0,1,0,0|1,0,0]=4 30834 B10R1.64 CC(C)OC1CCCC1C 32ae69ab469be9b6969ba109b3fdf80b [1,1,0,1,0,0|1,0,0]=4 30835 B10R1.64 CC(C)OC1COCC1C f57382d4cb4680f922f3faca17a94e6a [1,1,0,1,0,0|1,0,0]=4 30836 B10R1.64 CC(C)O[C@@H]1CCC[C@@H]1C 5209a70ffd095670612e6463d5121660 [1,1,0,1,0,0|1,0,0]=4 30837 B10R1.64 CC(C)O[C@@H]1CCC[C@H]1C 8adcab8a49c009a427a9f4999bfddb93 [1,1,0,1,0,0|1,0,0]=4 30838 B10R1.64 CC(C)O[C@@H]1COC[C@@H]1C cdf3ecafb6f57fb9834f2a91670156a2 [1,1,0,1,0,0|1,0,0]=4 30839 B10R1.64 CC(C)O[C@H]1CCC[C@@H]1C 13d7273ea82e8bc5af90793b7d4d37c3 [1,1,0,1,0,0|1,0,0]=4 30840 B10R1.64 CC(C)O[C@H]1CCC[C@H]1C 30ac021cd32bdc111cbe68d1119e0b82 [1,1,0,1,0,0|1,0,0]=4 30841 B10R1.64 CC(C)O[C@H]1COC[C@@H]1C 55236f164bea3a24408a376d3a395fb1 [1,1,0,1,0,0|1,0,0]=4 30842 B10R1.64 CC(C)O[C@H]1COC[C@H]1C 1b5603c1b1614516ac360c25caf162c4 [1,1,0,1,0,0|1,0,0]=4 30843 B10R1.64 CC(O)CN1CCCC1C e0904d829f5ae1c1c8a37132bedc03cf [1,1,0,1,0,0|1,0,0]=4 30844 B10R1.64 CC(O)CN1CCC[C@@H]1C f3fddac415c701aba279fa805a60bb73 [1,1,0,1,0,0|1,0,0]=4 30845 B10R1.64 CC(O)CN1CCC[C@H]1C c7ac7ab3a542d2cd9a20f0dba81b14eb [1,1,0,1,0,0|1,0,0]=4 30846 B10R1.64 CC1CCCN1C[C@@H](C)O f1f17ac41a002841ac45bb23af6e0df5 [1,1,0,1,0,0|1,0,0]=4 30847 B10R1.64 CC1CCCN1C[C@H](C)O a3da1c3aea429311222a7a938a16da96 [1,1,0,1,0,0|1,0,0]=4 30848 B10R1.64 C[C@@H](O)CN1CCC[C@@H]1C 0579b9a2a5b55601012c227a7861c31c [1,1,0,1,0,0|1,0,0]=4 30849 B10R1.64 C[C@@H]1CCCN1C[C@@H](C)O a1953599126d2e73c5f90858ff3b40b1 [1,1,0,1,0,0|1,0,0]=4 30850 B10R1.64 C[C@H](O)CN1CCC[C@@H]1C 4608bd25dbd968977e4f5c880f16efeb [1,1,0,1,0,0|1,0,0]=4 30851 B10R1.64 C[C@H](O)CN1CCC[C@H]1C 899d37e3d1971f3ab5ca4ff9471ee0b8 [1,1,0,1,0,0|1,0,0]=4 30852 B10R1.66 C=C(C)COC1CCCC1 0baa029340c07e195631e67a7476458f [1,1,0,1,0,0|0,0,1]=4 30853 B10R1.66 CC(=O)COC1CCCC1 b4a4ed405f24170df2e680b9b91276af [1,1,0,1,0,0|0,0,1]=4 30854 B10R1.66 CC(C)CNC1CCCC1 6f7dfe26d0df292242ea85676fd292f7 [1,1,0,1,0,0|1,0,0]=4 30855 B10R1.66 CC(C)COC1CCCC1 05212aee2774d3b31848b8801c2cf46b [1,1,0,1,0,0|0,0,0]=3 30856 B10R1.66 CC(C)COC1CCCO1 88a7a7ad24aa345cf5f7eca5c8c77472 [1,1,0,1,0,0|1,0,0]=4 30857 B10R1.66 CC(C)COC1CCOC1 794f91fc365ac883808c19843a601822 [1,1,0,1,0,0|1,0,0]=4 30858 B10R1.66 CC(C)COC1CCSC1 9452a63e3828e3601c59f4cb65221ddf [1,1,0,1,0,0|1,0,0]=4 30859 B10R1.66 CC(C)CO[C@@H]1CCOC1 1e4498179b686a0921b5115ae292cfb5 [1,1,0,1,0,0|1,0,0]=4 30860 B10R1.66 CC(C)CO[C@@H]1CCSC1 554d1865ff46aa6ffa4559e806221716 [1,1,0,1,0,0|1,0,0]=4 30861 B10R1.66 CC(C)CO[C@H]1CCOC1 aad2b1d2628db4cf117480a60cb3fb68 [1,1,0,1,0,0|1,0,0]=4 30862 B10R1.66 CC(C)CO[C@H]1CCSC1 d6bf1ba072359d7e373554b170f6c88a [1,1,0,1,0,0|1,0,0]=4 30863 B10R1.66 CC(C)NCC1CCCC1 8294df25fbe462fe9c40a1852ce5bd44 [1,1,0,1,0,0|1,0,0]=4 30864 B10R1.66 CC(C)NCC1CCCO1 4b25bc8de68c5cccfefaf7ab6acaec7b [1,1,0,1,0,0|1,0,0]=4 30865 B10R1.66 CC(C)NC[C@@H]1CCCO1 4426469c4377958d7e3df4438da767c0 [1,1,0,1,0,0|1,0,0]=4 30866 B10R1.66 CC(C)NC[C@H]1CCCO1 f9127e03268a493ffc938c95b539931d [1,1,0,1,0,0|1,0,0]=4 30867 B10R1.66 CC(C)OCC1CCCC1 f73fb5f6ffcc78b54bf60e6e5169f56c [1,1,0,1,0,0|1,0,0]=4 30868 B10R1.66 CC(C)OCC1CCCO1 dc4f8d95f712b7cad3d79bf4638edd07 [1,1,0,1,0,0|1,0,0]=4 30869 B10R1.66 CC(C)OC[C@@H]1CCCO1 68e4bd5e239bef928187ae9198e2984e [1,1,0,1,0,0|1,0,0]=4 30870 B10R1.66 CC(C)OC[C@H]1CCCO1 9ae01c9be9a744781eaf8509d7650ba3 [1,1,0,1,0,0|1,0,0]=4 30871 B10R1.66 CC(F)COC1CCCC1 69a930d6fc4ba09dcb565a37d7fde5c9 [1,1,0,1,0,0|0,0,0]=3 30872 B10R1.66 CC(F)COC1CCOC1 d50bc740ee3491d8be2016b4c72fecc1 [1,1,0,1,0,0|1,0,0]=4 30873 B10R1.66 CC(F)CO[C@@H]1CCOC1 5968de0a2abf2f478dee0023f2e21df9 [1,1,0,1,0,0|1,0,0]=4 30874 B10R1.66 CC(F)CO[C@H]1CCOC1 e597b3bce102933346ddabca492af3ad [1,1,0,1,0,0|1,0,0]=4 30875 B10R1.66 CC(O)CNC1CCCC1 b820e3d9afe93564c0983427a73810f3 [1,1,0,1,0,0|1,0,0]=4 30876 B10R1.66 CC(S)COC1CCCC1 abf2877ac379f65724da604d871ab3c7 [1,1,0,1,0,0|0,0,0]=3 30877 B10R1.66 CC(S)COC1CCOC1 8d96466e2bc1306ac5238c2dc7564732 [1,1,0,1,0,0|1,0,0]=4 30878 B10R1.66 CC(S)CO[C@@H]1CCOC1 3da06cffc3cd55a9dcb1d749407bd52a [1,1,0,1,0,0|1,0,0]=4 30879 B10R1.66 CC(S)CO[C@H]1CCOC1 8a46fb19f471d4cd95f6e384cc2f85d3 [1,1,0,1,0,0|1,0,0]=4 30880 B10R1.66 CN(C)COC1CCCC1 0141b3e595a815eea7a1d2c6ff671161 [1,1,0,1,0,0|1,0,0]=4 30881 B10R1.66 C[C@@H](F)COC1CCCC1 da269ac38e1cb95ca572d9e7639b7433 [1,1,0,1,0,0|0,0,0]=3 30882 B10R1.66 C[C@@H](F)COC1CCOC1 99f691548ae0eb7ae2940ea7a64f560a [1,1,0,1,0,0|1,0,0]=4 30883 B10R1.66 C[C@@H](F)CO[C@@H]1CCOC1 6a0398de3b9f7248b697a70dae4da486 [1,1,0,1,0,0|1,0,0]=4 30884 B10R1.66 C[C@@H](F)CO[C@H]1CCOC1 b6f8c78bed91b3e552963feace24437c [1,1,0,1,0,0|1,0,0]=4 30885 B10R1.66 C[C@@H](O)CNC1CCCC1 8a1f8985e621a80e06a328246e1e3448 [1,1,0,1,0,0|1,0,0]=4 30886 B10R1.66 C[C@H](F)COC1CCCC1 ac5befa9e8f77fa584d013e69621ca50 [1,1,0,1,0,0|0,0,0]=3 30887 B10R1.66 C[C@H](F)COC1CCOC1 b6a5c1794083bd124163a0ad68de19be [1,1,0,1,0,0|1,0,0]=4 30888 B10R1.66 C[C@H](F)CO[C@@H]1CCOC1 76534f7a7c38940df8d5516434cad7eb [1,1,0,1,0,0|1,0,0]=4 30889 B10R1.66 C[C@H](F)CO[C@H]1CCOC1 e5bbbbbcfe909a0eb7420c809aedcdc4 [1,1,0,1,0,0|1,0,0]=4 30890 B10R1.66 C[C@H](O)CNC1CCCC1 2befe5661cba4e9f3d3cf9fc34bfd20d [1,1,0,1,0,0|1,0,0]=4 30891 B10R1.66 FC(F)COC1CCCC1 180695a6ceb18cefa1917b0e67a9712b [1,1,0,1,0,0|1,0,0]=4 30892 B10R1.73 C=C(C)COCC1CC1C 0a20ad9d41b9d861f2a5ba71d4715711 [1,1,0,1,0,0|0,0,1]=4 30893 B10R1.73 C=C(C)COC[C@@H]1C[C@@H]1C b10528463b2f921e21cea2dcd92674a3 [1,1,0,1,0,0|0,0,1]=4 30894 B10R1.73 C=C(C)COC[C@@H]1C[C@H]1C 729b8c92a46a1cb562f15e627b33d522 [1,1,0,1,0,0|0,0,1]=4 30895 B10R1.73 C=C(C)COC[C@H]1C[C@@H]1C 393c6e198814bd694d053125f3e319aa [1,1,0,1,0,0|0,0,1]=4 30896 B10R1.73 CC(C)CCNC1CC1C e5f15609aede55b6bc25c29948091630 [1,1,0,1,0,0|1,0,0]=4 30897 B10R1.73 CC(C)COCC1CC1C b75eb8d6770ebf3b6c27acc4ac51d9c0 [1,1,0,1,0,0|0,0,0]=3 30898 B10R1.73 CC(C)COC[C@@H]1C[C@@H]1C f42a2b08453fcd65570c0989c4737e82 [1,1,0,1,0,0|0,0,0]=3 30899 B10R1.73 CC(C)COC[C@@H]1C[C@@H]1F 541b7bf5d341cfa337123581793612bd [1,1,0,1,0,0|1,0,0]=4 30900 B10R1.73 CC(C)COC[C@@H]1C[C@H]1C 8d9b559cdff98ab6157d3ce7e56fc745 [1,1,0,1,0,0|0,0,0]=3 30901 B10R1.73 CC(C)COC[C@@H]1C[C@H]1F 995c6dabbdfc8fb5d684e6ea67842e9b [1,1,0,1,0,0|1,0,0]=4 30902 B10R1.73 CC(C)COC[C@H]1C[C@@H]1C 17cc5596accca669b5b55b6f40d09e9f [1,1,0,1,0,0|0,0,0]=3 30903 B10R1.73 CC(C)COC[C@H]1C[C@@H]1F eb90002b368d09ea367f9769def702b1 [1,1,0,1,0,0|1,0,0]=4 30904 B10R1.73 CC(C)COC[C@H]1C[C@H]1F 2a1ed547f373d5e224cd167360ffd218 [1,1,0,1,0,0|1,0,0]=4 30905 B10R1.73 CC(O)CCNC1CC1C 056feab47faf9acccef8e077a9fbb41a [1,1,0,1,0,0|1,0,0]=4 30906 B10R1.73 CC1CC1COCC(F)F 8de589b0febf62d569091e237f27fb51 [1,1,0,1,0,0|1,0,0]=4 30907 B10R1.73 CC1CC1COCN(C)C 98bb21e9553169c3de45c09d164d640d [1,1,0,1,0,0|1,0,0]=4 30908 B10R1.73 C[C@@H]1C[C@H]1COCC(F)F 9a2f5f4e73976af2f4401d8602527322 [1,1,0,1,0,0|1,0,0]=4 30909 B10R1.73 C[C@@H]1C[C@H]1COCN(C)C fc7c34c8698c6e1c2a2bac655a85f5e0 [1,1,0,1,0,0|1,0,0]=4 30910 B10R1.73 C[C@H]1C[C@@H]1COCC(F)F 76a634a014a9418a7392055c45930ecd [1,1,0,1,0,0|1,0,0]=4 30911 B10R1.73 C[C@H]1C[C@@H]1COCN(C)C b56c869a1579bdcf33b3f0d01b1e7946 [1,1,0,1,0,0|1,0,0]=4 30912 B10R1.73 C[C@H]1C[C@H]1COCC(F)F 5aeaebc69fe84a6a1e53ef0bbaed1c30 [1,1,0,1,0,0|1,0,0]=4 30913 B10R1.73 C[C@H]1C[C@H]1COCN(C)C 971c740284a7aeb80a7e22b7c684d018 [1,1,0,1,0,0|1,0,0]=4 30914 B10R1.86 CCNC1COC1C(C)C 17ad998a3094f71cb0e241b8cd6d0197 [1,1,0,1,0,0|1,0,0]=4 30915 B10R1.86 CCN[C@@H]1CO[C@@H]1C(C)C 19ca5164a3cbec5af44613b4aedaa6cd [1,1,0,1,0,0|1,0,0]=4 30916 B10R1.117 CC(C)CN[C@@H]1CC[C@H]1C 117537cb27f21d68f7dddfea5e6ec2a8 [1,1,0,1,0,0|1,0,0]=4 30917 B10R1.117 CC(C)CN[C@H]1CC[C@H]1C 095082b79f6880c8c31fbef95aaf9ae6 [1,1,0,1,0,0|1,0,0]=4 30918 B10R1.117 CC(C)COC1COC1C d45b819c89a300628ff8daf7996d23ce [1,1,0,1,0,0|1,0,0]=4 30919 B10R1.117 CC(O)CN[C@@H]1CC[C@H]1C 1ab39c686b99c237d47858aad7367f88 [1,1,0,1,0,0|1,0,0]=4 30920 B10R1.117 CC(O)CN[C@H]1CC[C@H]1C 5b1013d68987e5b9569e4eff2438a4d7 [1,1,0,1,0,0|1,0,0]=4 30921 B10R1.117 C[C@@H]1CC[C@@H]1NC[C@@H](C)O fbfba557988086732ec9f092968e2e30 [1,1,0,1,0,0|1,0,0]=4 30922 B10R1.117 C[C@@H]1CC[C@H]1NC[C@@H](C)O 337826c1d1084d285f5035cb1be0cc61 [1,1,0,1,0,0|1,0,0]=4 30923 B10R1.117 C[C@H](O)CN[C@@H]1CC[C@H]1C f9fb6d880e0638f6ac3f120b8fd9e139 [1,1,0,1,0,0|1,0,0]=4 30924 B10R1.117 C[C@H](O)CN[C@H]1CC[C@H]1C a0ee5801b2c05cd8e6c87493a8813fac [1,1,0,1,0,0|1,0,0]=4 30925 B10R1.126 C=C(C)CCCOC1CC1 ddcd1c3fd3cd4ce6d14a939c53bc1ab2 [1,1,0,1,0,0|0,0,1]=4 30926 B10R1.126 C=C(C)CCOCC1CC1 776a298db72183dd9542f4766754503d [1,1,0,1,0,0|0,0,1]=4 30927 B10R1.126 C=C(C)COCCC1CC1 7a726596bc15eef3a380d7cac717a065 [1,1,0,1,0,0|0,0,1]=4 30928 B10R1.126 CC(=O)CCCOC1CC1 590bef78d96b3b4478190aec6f290839 [1,1,0,1,0,0|0,0,1]=4 30929 B10R1.126 CC(=O)CCOCC1CC1 e4c85eaab9f54c5f1c30c4a6f8da893e [1,1,0,1,0,0|0,0,1]=4 30930 B10R1.126 CC(=O)COCCC1CC1 5db2b90ba11a0fb9fcfb36b968b93eba [1,1,0,1,0,0|0,0,1]=4 30931 B10R1.126 CC(C)CCCNC1CC1 9141cc53c889c33c57614d7631012715 [1,1,0,1,0,0|1,0,0]=4 30932 B10R1.126 CC(C)CCCOC1CC1 ca0c1ccde5dd6e35a83f6820bf1c6325 [1,1,0,1,0,0|0,0,0]=3 30933 B10R1.126 CC(C)CCNCC1CC1 52abe102acd5efb5ad9dd76d9bba97d8 [1,1,0,1,0,0|1,0,0]=4 30934 B10R1.126 CC(C)CCOCC1CC1 050a8292a0c30fdb570df01b67ca4d41 [1,1,0,1,0,0|0,0,0]=3 30935 B10R1.126 CC(C)CNCCC1CC1 f1671b122c73c72750b699ec14921039 [1,1,0,1,0,0|1,0,0]=4 30936 B10R1.126 CC(C)COCCC1CC1 6f2545117444da508500cbe8ecb102a1 [1,1,0,1,0,0|0,0,0]=3 30937 B10R1.126 CC(C)COCCN1CC1 db67bef1477268a46d8adbf2220bcc7f [1,1,0,1,0,0|1,0,0]=4 30938 B10R1.126 CC(C)NCCOC1CC1 0c5203e744f4e71cd0583827b935b0e2 [1,1,0,1,0,0|1,0,0]=4 30939 B10R1.126 CC(C)OCCCC1CC1 693a0acd16450c746e086b12656ba93b [1,1,0,1,0,0|1,0,0]=4 30940 B10R1.126 CC(C)OCCOC1CC1 efa5937208243b9f56f2c0d64bce7537 [1,1,0,1,0,0|1,0,0]=4 30941 B10R1.126 CC(C)OCOCC1CC1 5ad31ae78984b2c03b77362514d2c158 [1,1,0,1,0,0|1,0,0]=4 30942 B10R1.126 CC(C)SCCOC1CC1 3683c05e24b3cf6ca0f9fa2799afcd95 [1,1,0,1,0,0|1,0,0]=4 30943 B10R1.126 CC(F)COCCC1CC1 042818c301462305280a405b740b562a [1,1,0,1,0,0|0,0,0]=3 30944 B10R1.126 CC(O)CCCNC1CC1 07141c4272835cdc9288750f4d0471ad [1,1,0,1,0,0|1,0,0]=4 30945 B10R1.126 CC(O)CCNCC1CC1 1086c0b81671dca7ea8e060b54727cec [1,1,0,1,0,0|1,0,0]=4 30946 B10R1.126 CC(O)CNCCC1CC1 e937d2b04d12b9ccc409b90cd909f16d [1,1,0,1,0,0|1,0,0]=4 30947 B10R1.126 CC(S)COCCC1CC1 68167368317dbcdf12601dcf2f720ce8 [1,1,0,1,0,0|0,0,0]=3 30948 B10R1.126 CN(C)CCCOC1CC1 75bd0a7afeda664dc0c26b45bcee9d90 [1,1,0,1,0,0|1,0,0]=4 30949 B10R1.126 CN(C)CCOCC1CC1 97fae989f942c0fe256463f08619362b [1,1,0,1,0,0|1,0,0]=4 30950 B10R1.126 CN(C)COCCC1CC1 733ec291844c323ea77a92731368a53e [1,1,0,1,0,0|1,0,0]=4 30951 B10R1.126 CS(=O)CCOCC1CC1 e3bdcba80c6490b9c5851013f9e6ef96 [1,1,0,1,0,0|1,0,0]=4 30952 B10R1.126 C[C@@H](F)COCCC1CC1 4fecc8b661246adb5d8c098cb89d9296 [1,1,0,1,0,0|0,0,0]=3 30953 B10R1.126 C[C@@H](O)CCNCC1CC1 00327d6018143d8c57f5955de8e50cc8 [1,1,0,1,0,0|1,0,0]=4 30954 B10R1.126 C[C@@H](O)CNCCC1CC1 b170124a3f42c781387c7e2f80cfa627 [1,1,0,1,0,0|1,0,0]=4 30955 B10R1.126 C[C@H](F)COCCC1CC1 5076c5991468ce7cd3deb64f64c99284 [1,1,0,1,0,0|0,0,0]=3 30956 B10R1.126 C[C@H](O)CCNCC1CC1 5dc4c15749eac80af842864a3fb0c4a0 [1,1,0,1,0,0|1,0,0]=4 30957 B10R1.126 C[C@H](O)CNCCC1CC1 623d9fe657c1a19bdc6729cb883a9696 [1,1,0,1,0,0|1,0,0]=4 30958 B10R1.126 FC(F)CCOCC1CC1 0e426c86dc2ffe43232787d283b9a2a7 [1,1,0,1,0,0|1,0,0]=4 30959 B10R1.126 FC(F)COCCC1CC1 6b2bfcb1737da33efbc9929a7d298275 [1,1,0,1,0,0|1,0,0]=4 30960 B10R1.127 C=C(C)CCOC1CCC1 5ceffb4a5f3cda2f793ce689ba21878e [1,1,0,1,0,0|0,0,1]=4 30961 B10R1.127 C=C(C)COCC1CCC1 dbfba38ac2f22ae7a6a83ce9c64e9d96 [1,1,0,1,0,0|0,0,1]=4 30962 B10R1.127 CC(=O)CCOC1CCC1 203124ee8579861e62b6b3ee00e4e01e [1,1,0,1,0,0|0,0,1]=4 30963 B10R1.127 CC(=O)COCC1CCC1 8fd68570ac5a590b26f61b50e831d8eb [1,1,0,1,0,0|0,0,1]=4 30964 B10R1.127 CC(C)CCCN1CCC1 3b9971f36deea5a1c6bb23e80de97fe9 [1,1,0,1,0,0|1,0,0]=4 30965 B10R1.127 CC(C)CCNC1CCC1 84ea7daf7447c00a18a27c15cb8179b9 [1,1,0,1,0,0|1,0,0]=4 30966 B10R1.127 CC(C)CCOC1CCC1 5b9d93b74b97b0191d14a7acfde75647 [1,1,0,1,0,0|0,0,0]=3 30967 B10R1.127 CC(C)CCOC1COC1 5655ab7983124dae82d983023ae521d4 [1,1,0,1,0,0|1,0,0]=4 30968 B10R1.127 CC(C)CCOC1CSC1 49cec83b9a86a1a959291cc3da0f0b21 [1,1,0,1,0,0|1,0,0]=4 30969 B10R1.127 CC(C)CNCC1CCC1 7026db16c8e4e08afc2bf2833e275170 [1,1,0,1,0,0|1,0,0]=4 30970 B10R1.127 CC(C)COCC1CCC1 d3032632419d59b16b489b097a087913 [1,1,0,1,0,0|0,0,0]=3 30971 B10R1.127 CC(C)COCC1CCO1 7a6f9721d5cc1676119fa80cfef8d75f [1,1,0,1,0,0|1,0,0]=4 30972 B10R1.127 CC(C)COCC1COC1 55036156b4c9399803bdd6eca07610f9 [1,1,0,1,0,0|1,0,0]=4 30973 B10R1.127 CC(C)COCC1CSC1 6d7e17cf175359288e26c9bff9a4310f [1,1,0,1,0,0|1,0,0]=4 30974 B10R1.127 CC(C)COC[C@@H]1CCO1 3867df3f2f233d4fcbcc07de650dff92 [1,1,0,1,0,0|1,0,0]=4 30975 B10R1.127 CC(C)COC[C@H]1CCO1 1f9e512a25339033153d7e09091e1f2e [1,1,0,1,0,0|1,0,0]=4 30976 B10R1.127 CC(C)NCCC1CCC1 2118bd26dbd6b5b404398e018cd150b1 [1,1,0,1,0,0|1,0,0]=4 30977 B10R1.127 CC(C)OCCC1CCC1 76af69f1e2862ebcaccf3f4ba1596e31 [1,1,0,1,0,0|1,0,0]=4 30978 B10R1.127 CC(C)OCOC1CCC1 434a324d530dc401feba8a8376b92bf8 [1,1,0,1,0,0|1,0,0]=4 30979 B10R1.127 CC(F)COCC1CCC1 39c1ddb5e868e7766d28617613c67918 [1,1,0,1,0,0|0,0,0]=3 30980 B10R1.127 CC(F)COCC1CCO1 777b3c83fae280817526d9676e74c4d7 [1,1,0,1,0,0|1,0,0]=4 30981 B10R1.127 CC(F)COCC1COC1 8b9f90208bd86a8ae5dc441826e75667 [1,1,0,1,0,0|1,0,0]=4 30982 B10R1.127 CC(F)COC[C@@H]1CCO1 c5e6e725c0c06f1fe1a1c2d3b5bc94b4 [1,1,0,1,0,0|1,0,0]=4 30983 B10R1.127 CC(F)COC[C@H]1CCO1 a2bb635f8c10aa1568c6ac0ca941167c [1,1,0,1,0,0|1,0,0]=4 30984 B10R1.127 CC(O)CCCN1CCC1 b5bb30983577542891102e78d9845966 [1,1,0,1,0,0|1,0,0]=4 30985 B10R1.127 CC(O)CCNC1CCC1 0263b847e854d291762fe7dbbf858b5c [1,1,0,1,0,0|1,0,0]=4 30986 B10R1.127 CC(O)CNCC1CCC1 e906540e3fafc1f3220306932b267d1e [1,1,0,1,0,0|1,0,0]=4 30987 B10R1.127 CC(S)COCC1CCC1 7fd2c4aeb262b2c22b8057efc6dfe9cc [1,1,0,1,0,0|0,0,0]=3 30988 B10R1.127 CC(S)COCC1CCO1 35d833a5ab82eb1590faf69efba5c792 [1,1,0,1,0,0|1,0,0]=4 30989 B10R1.127 CC(S)COCC1COC1 dc5888f19708c417181ab81a715a1e3e [1,1,0,1,0,0|1,0,0]=4 30990 B10R1.127 CC(S)COC[C@@H]1CCO1 a0b841b3fd45b16274d6122676a693c2 [1,1,0,1,0,0|1,0,0]=4 30991 B10R1.127 CC(S)COC[C@H]1CCO1 a0310001b702c009456b5115c14c9ff3 [1,1,0,1,0,0|1,0,0]=4 30992 B10R1.127 CN(C)CCOC1CCC1 249a2e72f2c2f87f43f2d30eae9fe8e2 [1,1,0,1,0,0|1,0,0]=4 30993 B10R1.127 CN(C)COCC1CCC1 a80700ae835f03a0135fa26cdb93941a [1,1,0,1,0,0|1,0,0]=4 30994 B10R1.127 CS(=O)CCOC1CCC1 621cc5794aef15b19a21b705380013a2 [1,1,0,1,0,0|1,0,0]=4 30995 B10R1.127 C[C@@H](F)COCC1CCC1 dafe41df7585bfcb1036182df377a1c6 [1,1,0,1,0,0|0,0,0]=3 30996 B10R1.127 C[C@@H](F)COCC1CCO1 7e33781ea9317bad8a36ca873448ba9f [1,1,0,1,0,0|1,0,0]=4 30997 B10R1.127 C[C@@H](F)COCC1COC1 e0f6445d6d589ba17419f3bddc57c61b [1,1,0,1,0,0|1,0,0]=4 30998 B10R1.127 C[C@@H](F)COC[C@@H]1CCO1 8be7ae61cdcb673aa20063a449ade271 [1,1,0,1,0,0|1,0,0]=4 30999 B10R1.127 C[C@@H](F)COC[C@H]1CCO1 f5319598bce8467c271184ac66c8798c [1,1,0,1,0,0|1,0,0]=4 31000 B10R1.127 C[C@@H](O)CCNC1CCC1 19bb1cf6b904a3bd1d99e3dbc3cbef47 [1,1,0,1,0,0|1,0,0]=4 31001 B10R1.127 C[C@@H](O)CNCC1CCC1 6526a39af214ca2e624ce59cc3a37c91 [1,1,0,1,0,0|1,0,0]=4 31002 B10R1.127 C[C@H](F)COCC1CCC1 d0b0ffce571614ff8efef099f44715e4 [1,1,0,1,0,0|0,0,0]=3 31003 B10R1.127 C[C@H](F)COCC1CCO1 b35e46d40be2cdee45f7724c9c7b5155 [1,1,0,1,0,0|1,0,0]=4 31004 B10R1.127 C[C@H](F)COCC1COC1 97af9ebb68c85533cafe5d01783fff7c [1,1,0,1,0,0|1,0,0]=4 31005 B10R1.127 C[C@H](F)COC[C@@H]1CCO1 e63a18abd117473096b3b0e3e27155cd [1,1,0,1,0,0|1,0,0]=4 31006 B10R1.127 C[C@H](F)COC[C@H]1CCO1 b04962104f8f80fdd1f56d08ce1bca84 [1,1,0,1,0,0|1,0,0]=4 31007 B10R1.127 C[C@H](O)CCNC1CCC1 d556d74ebd738333ce01eabf6896c505 [1,1,0,1,0,0|1,0,0]=4 31008 B10R1.127 C[C@H](O)CNCC1CCC1 e8da21263fbd999b8d5a002427b052bf [1,1,0,1,0,0|1,0,0]=4 31009 B10R1.127 FC(F)CCOC1CCC1 a369f1d1cfd6e5445fc0700c8f9bf50f [1,1,0,1,0,0|1,0,0]=4 31010 B10R1.127 FC(F)COCC1CCC1 0910736fefe1ad3ac3da960f29a72c27 [1,1,0,1,0,0|1,0,0]=4 31011 B10R1.133 CCCN1CCCC1(C)C 4390ec7bafda06fa8a34b52c0f7f628f [1,1,0,1,0,0|1,0,0]=4 31012 B10R1.133 CCCN1COCC1(C)C 3bcc71f8ea1393f4c35a9e9032c20411 [1,1,0,1,0,0|1,0,0]=4 31013 B10R1.133 CCNC1CCCC1(C)C 3de63c413762484e3b90c3529f146c4f [1,1,0,1,0,0|1,0,0]=4 31014 B10R1.133 CCNC1CCCC1(C)O cef76a298faa75cf20392298d986d951 [1,1,0,1,0,0|1,0,0]=4 31015 B10R1.133 CCN[C@@H]1CCC[C@@]1(C)O bb030e6801f2bac0e3f3a29bdda6709a [1,1,0,1,0,0|1,0,0]=4 31016 B10R1.133 CCN[C@H]1CCC[C@]1(C)O aa09fdd71ee71868360caa9a438eac03 [1,1,0,1,0,0|1,0,0]=4 31017 B10R1.133 CCOC1CCCC1(C)C 2450b7a463181df255f5efe5f3266618 [1,1,0,1,0,0|1,0,0]=4 31018 B10R1.133 CCO[C@@H]1CCCC1(C)C b467c1989ace4cd90af64467f0f7f0b0 [1,1,0,1,0,0|1,0,0]=4 31019 B10R1.133 CCO[C@H]1CCCC1(C)C e2ab1bbc101f308603f791db3599b839 [1,1,0,1,0,0|1,0,0]=4 31020 B10R1.141 CC1(CCC1OCCF)C 7fe6bfaf91b93d0ad5b805e7bf32810c [1,1,0,1,0,0|1,0,0]=4 31021 B10R1.141 CC1(CCC1OCCS)C ac507a12ab70510d738fd7b6126f1545 [1,1,0,1,0,0|1,0,0]=4 31022 B10R1.141 CCCOC1CCC1(C)C ef86c9423b65b5d4b4872678bd58ab3c [1,1,0,1,0,0|0,0,0]=3 31023 B10R1.141 CCCOC1CCC1(F)F 89b8484466a0e993a3f72d46c3ef64d1 [1,1,0,1,0,0|1,0,0]=4 31024 B10R1.141 CCCOC1COC1(C)C 5c46f47a5e97ae948790d47b93395a0e [1,1,0,1,0,0|1,0,0]=4 31025 B10R1.141 CCNCC1OCC1(C)C 3afa029d1b48f18c1c1721f191380fe3 [1,1,0,1,0,0|1,0,0]=4 31026 B10R1.141 COCOC1CCC1(C)C be86ff1b8c0a146c6e35c52d6a24ed67 [1,1,0,1,0,0|1,0,0]=4 31027 B10R1.141 CSCOC1CCC1(C)C 35154f4e004daf1213ece1fe8d774b7b [1,1,0,1,0,0|1,0,0]=4 31028 B10R1.162 CCN1CCCCC(C1)O aed5146c8170f842a5a4089ca94727a5 [1,1,0,1,0,0|1,0,0]=4 31029 B10R1.162 CCN1CCCC[C@H](C1)O 14e3c1b433f6e1d1b711e6cb5c7b6de1 [1,1,0,1,0,0|1,0,0]=4 31030 B10R1.162 CCN1CCCOC(C1)C 31c53a19350d83e4432907206d9fe674 [1,1,0,1,0,0|1,0,0]=4 31031 B10R1.162 CCN1CCOCC(C1)F f8c93971e2023a70dfa444c2dddd7719 [1,1,0,1,0,0|1,0,0]=4 31032 B10R1.162 CCN1CCOCC(C1)O 29bf18b7e4282c15a2cbca11e97d614c [1,1,0,1,0,0|1,0,0]=4 31033 B10R1.162 CCN1CCOC[C@@H](C1)F 269e7e37ab45c21025a5e4c0563c28f1 [1,1,0,1,0,0|1,0,0]=4 31034 B10R1.162 CCN1CCOC[C@@H](C1)O 0926a27e72805afe4696acf6d8e43d39 [1,1,0,1,0,0|1,0,0]=4 31035 B10R1.162 CCN1CCOC[C@H](C1)F e7b3909a08c899957ea79d92c732afdd [1,1,0,1,0,0|1,0,0]=4 31036 B10R1.162 CCN1CCOC[C@H](C1)O 70f71e4ee7e752ce65a3407dd6121528 [1,1,0,1,0,0|1,0,0]=4 31037 B10R1.173 CCC1CCN1CC(C)C 88505123f014c6f8812cba7ffff33393 [1,1,0,1,0,0|1,0,0]=4 31038 B10R1.173 CCC1CCN1CC(C)O 1d8cc6cc5d1f0fd7b3f27e8c4806458a [1,1,0,1,0,0|1,0,0]=4 31039 B10R1.173 CCC1CCN1C[C@@H](C)O 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[1,1,0,1,0,0|1,0,0]=4 31118 B10R1.138 CCCC(C)OCC1CC1 83106f88842b04c9c115e2cb921248bb [1,1,0,1,0,0|0,0,0]=3 31119 B10R1.138 CCCC(O)CNC1CC1 aaccd20801864fe7a16d99bd9afa430e [1,1,0,1,0,0|1,0,0]=4 31120 B10R1.138 CCCN(C)CCC1CC1 753b945c4335c9bcb246db5dd9addf66 [1,1,0,1,0,0|1,0,0]=4 31121 B10R1.138 CCC[C@@H](C)OCC1CC1 4e6dd22b0adf2dbd96835953d1b6b62c [1,1,0,1,0,0|0,0,0]=3 31122 B10R1.138 CCC[C@H](C)NCC1CC1 9378789b3279bbd62bd968f777913545 [1,1,0,1,0,0|1,0,0]=4 31123 B10R1.138 CCC[C@H](C)OCC1CC1 44d7ec6ef7a19cc6239949812f912fe4 [1,1,0,1,0,0|0,0,0]=3 31124 B10R1.138 CCOC(C)COC1CC1 9404367de73141c1612d9d6240acdbc1 [1,1,0,1,0,0|1,0,0]=4 31125 B10R1.138 COCC(C)COC1CC1 69575d09a260c7bfebe2bc08478cf4a7 [1,1,0,1,0,0|1,0,0]=4 31126 B10R1.138 COCC(C)OCC1CC1 7fc317855e5d05c0c8b3d125ae379a97 [1,1,0,1,0,0|1,0,0]=4 31127 B10R1.138 COC[C@@H](C)OCC1CC1 b3b3a7a349a288c3eb92d0825736b05b [1,1,0,1,0,0|1,0,0]=4 31128 B10R1.138 COC[C@H](C)COC1CC1 6828dc300a8c7ea559a360baeec5e3a3 [1,1,0,1,0,0|1,0,0]=4 31129 B10R1.138 COC[C@H](C)OCC1CC1 4812e76194381eee8e8871270e5e7643 [1,1,0,1,0,0|1,0,0]=4 31130 B10R1.138 CSCC(C)OCC1CC1 662abd94ae759043e7ed13455912d085 [1,1,0,1,0,0|1,0,0]=4 31131 B10R1.138 OCC[C@H](O)COC1CC1 f6920a98e9f2c6a5ae63a7c955465ec7 [1,1,0,1,0,0|1,0,0]=4 31132 B10R1.186 CC(COCCF)C1CC1 d77c81ae418ab8d81068f16d3d5b04e5 [1,1,0,1,0,0|1,0,0]=4 31133 B10R1.186 CC(COCCS)C1CC1 7ae4c33fcb701c4ebff45bfbc8b63e02 [1,1,0,1,0,0|1,0,0]=4 31134 B10R1.186 CC(OCCCF)C1CC1 b1afc7bbbd158aa62237348a5179d240 [1,1,0,1,0,0|1,0,0]=4 31135 B10R1.186 CC(OCCCS)C1CC1 b661667302e13390bfd33c4b39e0fdb0 [1,1,0,1,0,0|1,0,0]=4 31136 B10R1.186 CCCCCN(C)C1CC1 652e3083e514a8b067154a46c321be50 [1,1,0,1,0,0|1,0,0]=4 31137 B10R1.186 CCCCNC(C)C1CC1 08bb7fcff6446802d5fc3e5613fef60b [1,1,0,1,0,0|1,0,0]=4 31138 B10R1.186 CCCCN[C@@H](C)C1CC1 fc4e0722eff80ad8b8fb19113cab7f05 [1,1,0,1,0,0|1,0,0]=4 31139 B10R1.186 CCCCN[C@H](C)C1CC1 96cf2603fa9175e15569c32a1793e53a [1,1,0,1,0,0|1,0,0]=4 31140 B10R1.186 CCCCOC(C)C1CC1 0edf255b71499ff21caa95b06bc6f048 [1,1,0,1,0,0|0,0,0]=3 31141 B10R1.186 CCCCO[C@@H](C)C1CC1 5714623b0775045bd8bb78334c8add2f [1,1,0,1,0,0|0,0,0]=3 31142 B10R1.186 CCCCO[C@H](C)C1CC1 06fef1180c01d8ce8e0dac9bd42ee881 [1,1,0,1,0,0|0,0,0]=3 31143 B10R1.186 CCCNCC(O)C1CC1 8b1ea6d635d3e1e5bcf0624b0b1a711d [1,1,0,1,0,0|1,0,0]=4 31144 B10R1.186 CCCOCC(=O)C1CC1 efdba3cbc9d794b929d4839adbce022d [1,1,0,1,0,0|0,0,1]=4 31145 B10R1.186 CCCOCC(C)C1CC1 08d25ac37e989ff3640cc58be6ced04a [1,1,0,1,0,0|0,0,0]=3 31146 B10R1.186 CCOCOC(C)C1CC1 6ae1659d8f0259d14f79063164f101d3 [1,1,0,1,0,0|1,0,0]=4 31147 B10R1.186 CCOCO[C@@H](C)C1CC1 08544acae063d8d834a865a8fc519635 [1,1,0,1,0,0|1,0,0]=4 31148 B10R1.186 CCOCO[C@H](C)C1CC1 6390a003299fd789a900931ec458eb87 [1,1,0,1,0,0|1,0,0]=4 31149 B10R1.186 COCCOC(C)C1CC1 1973ad213d3f93bff23d1f4d33298653 [1,1,0,1,0,0|1,0,0]=4 31150 B10R1.186 COCCO[C@@H](C)C1CC1 0779d45891c40af98631931474ffd2f0 [1,1,0,1,0,0|1,0,0]=4 31151 B10R1.186 COCCO[C@H](C)C1CC1 74bafec328a589b4bbbd6652af669a54 [1,1,0,1,0,0|1,0,0]=4 31152 B10R1.186 COCOCC(C)C1CC1 3ca2b65b828e436dd74494ca106e9a8b [1,1,0,1,0,0|1,0,0]=4 31153 B10R1.186 CSCCOC(C)C1CC1 0f5106ff4e56054baa6bda1a399513c4 [1,1,0,1,0,0|1,0,0]=4 31154 B10R1.186 CSCCO[C@@H](C)C1CC1 7db45643c200653fb7641e395813298b [1,1,0,1,0,0|1,0,0]=4 31155 B10R1.186 CSCCO[C@H](C)C1CC1 2bb587f45cc9cdc06b0a11864c4d5a08 [1,1,0,1,0,0|1,0,0]=4 31156 B10R1.186 CSCOCC(C)C1CC1 ed26ec4dc2f1de6acf5008ccbf09cd0a [1,1,0,1,0,0|1,0,0]=4 31157 B10R1.186 C[C@@H](OCCCF)C1CC1 0abbe038e718abf2f868f9c5123f8268 [1,1,0,1,0,0|1,0,0]=4 31158 B10R1.186 C[C@@H](OCCCS)C1CC1 cdafe49cea9b6f0bb3de737bf282c712 [1,1,0,1,0,0|1,0,0]=4 31159 B10R1.186 C[C@H](OCCCF)C1CC1 7b97364414f018998109f846cb90de6e [1,1,0,1,0,0|1,0,0]=4 31160 B10R1.186 C[C@H](OCCCS)C1CC1 21674467b13ac1b6371deeaab2800048 [1,1,0,1,0,0|1,0,0]=4 31161 B10R1.197 CCN1CCCC(CC1)C 9d7cc09ad8c203bd615d3666ca926cd9 [1,1,0,1,0,0|1,0,0]=4 31162 B10R1.197 CCN1CCCC(CC1)F bb8aa444ac8d308ed6ac80115b78451f [1,1,0,1,0,0|1,0,0]=4 31163 B10R1.197 CCN1CCCC(CC1)O 9883c78dd67fb34fecac71ccd2dd55c7 [1,1,0,1,0,0|1,0,0]=4 31164 B10R1.197 CCN1CCC[C@@H](CC1)O d1ecf01de950d08613c339b5d1ab9942 [1,1,0,1,0,0|1,0,0]=4 31165 B10R1.197 CCN1CCC[C@H](CC1)O 60a947e0c750ce72a6353859993af37b [1,1,0,1,0,0|1,0,0]=4 31166 B10R1.245 CCN1C(CCCC1C)C bc5cd359fec9310a831c6a602c3dbb32 [1,1,0,1,0,0|1,0,0]=4 31167 B10R1.245 CCN1C(COCC1C)C 8389c6a2e6704660119f7edc0b910cf6 [1,1,0,1,0,0|1,0,0]=4 31168 B10R1.245 CCN1[C@@H](CCC[C@@H]1C)C 2003c914f8b2a9b1355b6a07f5f234f4 [1,1,0,1,0,0|1,0,0]=4 31169 B10R1.245 CCN1[C@@H](CCC[C@H]1C)C a9e35ff17e7a094b6804d356ee9e5802 [1,1,0,1,0,0|1,0,0]=4 31170 B10R1.245 CCN1[C@@H](COC[C@@H]1C)C 08ca247001f848685632f561633d66c3 [1,1,0,1,0,0|1,0,0]=4 31171 B10R1.245 CCN1[C@@H](COC[C@H]1C)C 33803ec013927578a4c86d0b5cdecf05 [1,1,0,1,0,0|1,0,0]=4 31172 B10R1.245 CCN1[C@H](CCC[C@@H]1C)C b87c6b86ae47d9339c633524380b6a6e [1,1,0,1,0,0|1,0,0]=4 31173 B10R1.245 CCN1[C@H](COC[C@@H]1C)C cad1d93fb2d007c2ee479939acfc6657 [1,1,0,1,0,0|1,0,0]=4 31174 B10R1.376 CC1(CCC1)COCCF 4a07a2dffe296effc068fc9646e28369 [1,1,0,1,0,0|1,0,0]=4 31175 B10R1.376 CC1(CCC1)COCCS ae24ca1bc89ab9601f1bad87a60ddf3a [1,1,0,1,0,0|1,0,0]=4 31176 B10R1.376 CCCCNC1(CCC1)C ea382ea4cf408448c6a6e58bfcd60f09 [1,1,0,1,0,0|1,0,0]=4 31177 B10R1.376 CCCNCC1(CCC1)C ab7ce4cd8a20fed4f7e00f64ca1281e2 [1,1,0,1,0,0|1,0,0]=4 31178 B10R1.376 CCCNCC1(CCC1)O b0c741e4a995602b533155f0d43b81d9 [1,1,0,1,0,0|1,0,0]=4 31179 B10R1.376 CCCOCC1(CCC1)C d67e47fc3f6ef7ce44c2e13f33b0880c [1,1,0,1,0,0|0,0,0]=3 31180 B10R1.376 CCCOCC1(CCC1)F 608a6faf4e3541fc807592f955e0f40a [1,1,0,1,0,0|0,0,0]=3 31181 B10R1.376 CCCOCC1(CCO1)C 902133afbe1ed190c66bea68a61cea27 [1,1,0,1,0,0|1,0,0]=4 31182 B10R1.376 CCCOCC1(COC1)C d06a90cd77e45269f6d457b58f21b82c [1,1,0,1,0,0|1,0,0]=4 31183 B10R1.376 CCCOCC1(COC1)F ee88c2c2427eb39aec0caa5bb1da2ad7 [1,1,0,1,0,0|1,0,0]=4 31184 B10R1.376 CCCOCC1(CSC1)C a22b61f95db44bd1f3bfacf2a8322996 [1,1,0,1,0,0|1,0,0]=4 31185 B10R1.376 CCCOC[C@@]1(CCO1)C 6262fc8fec3051a21333e10a3e5b9bb5 [1,1,0,1,0,0|1,0,0]=4 31186 B10R1.376 CCCOC[C@]1(CCO1)C b7f2025e53141ae7b5e35415c5a0491c [1,1,0,1,0,0|1,0,0]=4 31187 B10R1.376 CCNCCC1(CCC1)O c747f49aabaffb950f4e392339d8c732 [1,1,0,1,0,0|1,0,0]=4 31188 B10R1.376 COCOCC1(CCC1)C 41cf9db0e2dbccdd95608cdffdb3e1b6 [1,1,0,1,0,0|1,0,0]=4 31189 B10R1.376 COCOCC1(CCC1)F 4f8dfe76fbf9cccaaa89ff05c9bf2818 [1,1,0,1,0,0|1,0,0]=4 31190 B10R1.376 CSCOCC1(CCC1)C bb58241267031fa815964ae02ed0a977 [1,1,0,1,0,0|1,0,0]=4 31191 B10R1.376 CSCOCC1(CCC1)F 448e6777257c2112b6bef04170413f08 [1,1,0,1,0,0|1,0,0]=4 31192 B10R1.376 FC1(CCC1)COCCS a9907e63c63ecd332993c215b752c16b [1,1,0,1,0,0|1,0,0]=4 31193 B10R1.376 FCCOCC1(CCC1)F be52ee4aa22a7b41bcb1ce634aa454a4 [1,1,0,1,0,0|1,0,0]=4 31194 B10R1.377 CCNC1(CCCCC1)C 7bc1f4879cc7d7ffbc85efc0d1503c20 [1,1,0,1,0,0|1,0,0]=4 31195 B10R1.406 CCCCN1C(CC1C)C b1ad74e481fd05f0fd019c1a49c256e6 [1,1,0,1,0,0|1,0,0]=4 31196 B10R1.406 CCCCN1[C@@H](C[C@@H]1C)C ee6edd26b759067ff0d0a0b34d9b4c78 [1,1,0,1,0,0|1,0,0]=4 31197 B10R1.406 CCCCN1[C@@H](C[C@H]1C)C 082a4e0a81bbacfcf4981c83d58b304b [1,1,0,1,0,0|1,0,0]=4 31198 B10R1.406 CCCCN1[C@H](C[C@@H]1C)C 19f6575be5917ed07eabda2fc0826750 [1,1,0,1,0,0|1,0,0]=4 31199 B10R1.457 CCCOCC1(CC1F)C 3398099816636aa1e2078bc30ae8163f [1,1,0,1,0,0|1,0,0]=4 31200 B10R1.30 CCN1CC(CCC1C)O 71294caefc9cd4aef8aaba4e3d406cc2 [1,1,0,1,0,0|1,0,0]=4 31201 B10R1.30 CCN1CC(OCC1C)C 7d1bbcc7773e03740b27195ded5d6c53 [1,1,0,1,0,0|1,0,0]=4 31202 B10R1.30 CCN1C[C@@H](CC[C@H]1C)O 1eb94129b59fc1c4a834fd87f2752884 [1,1,0,1,0,0|1,0,0]=4 31203 B10R1.30 CCN1C[C@@H](OC[C@@H]1C)C 4ae7e7aaf8e52e896fcc6fc5a1246c33 [1,1,0,1,0,0|1,0,0]=4 31204 B10R1.30 CCN1C[C@@H](OC[C@H]1C)C f3c21722b5008a1e0ed62c6eb01478b9 [1,1,0,1,0,0|1,0,0]=4 31205 B10R1.30 CCN1C[C@H](OC[C@@H]1C)C 4a85f3fe35557cec288d7091bc1dfd3a [1,1,0,1,0,0|1,0,0]=4 31206 B10R1.30 CCN1C[C@H](OC[C@H]1C)C b55c723cb60c92accd76749cd7a7f6aa [1,1,0,1,0,0|1,0,0]=4 31207 B10R1.143 CCCCN1CC(C1)CC 1c6328a91905145116c350aa14932e70 [1,1,0,1,0,0|1,0,0]=4 31208 B10R1.143 CCCOC1CC(C1)OC fe3624e0f1db7567e6879017b0a356d2 [1,1,0,1,0,0|1,0,0]=4 31209 B10R1.143 CCCOC1CN(C1)CC 6ca00aa83a5ab56d77fe156d2b5c8462 [1,1,0,1,0,0|1,0,0]=4 31210 B10R1.143 CCCO[C@H]1C[C@@H](C1)OC 2ad0db8293b840ab6205ea24a707272c [1,1,0,1,0,0|1,0,0]=4 31211 B10R1.143 CCCO[C@H]1C[C@H](C1)CF e0d3d7e70d65ec339be4f4ea2008a59f [1,1,0,1,0,0|1,0,0]=4 31212 B10R1.143 CCCO[C@H]1C[C@H](C1)OC 239ae51551639c0d67ebde75cea81098 [1,1,0,1,0,0|1,0,0]=4 31213 B10R1.178 CC(OCCF)C1CCC1 140a01bda06bc537b1c15eff75e51550 [1,1,0,1,0,0|1,0,0]=4 31214 B10R1.178 CC(OCCS)C1CCC1 ba59c768a5f2bc1756018539420cc7e1 [1,1,0,1,0,0|1,0,0]=4 31215 B10R1.178 CCCCC(C)N1CCC1 1dc9d5833c0709c93e0733cb6f62a9ad [1,1,0,1,0,0|1,0,0]=4 31216 B10R1.178 CCCCN(C)C1CCC1 36210681504edaed3b2293a414cfc26a [1,1,0,1,0,0|1,0,0]=4 31217 B10R1.178 CCCOC(C)C1CCC1 f0c972a1d44bebf428d0032f8c7f5acc [1,1,0,1,0,0|0,0,0]=3 31218 B10R1.178 CCCOC(C)C1COC1 94bd228b8926e6eddb985d54e29df312 [1,1,0,1,0,0|1,0,0]=4 31219 B10R1.178 CCCO[C@@H](C)C1CCC1 1cffd57c350c6b1ffd10bfef7eb65780 [1,1,0,1,0,0|0,0,0]=3 31220 B10R1.178 CCCO[C@@H](C)C1COC1 958e650d243409af793e716315429af6 [1,1,0,1,0,0|1,0,0]=4 31221 B10R1.178 CCCO[C@H](C)C1COC1 bdd04c6adadd95b89cb618424e4f7982 [1,1,0,1,0,0|1,0,0]=4 31222 B10R1.178 COCOC(C)C1CCC1 6e8c06e40ace69c66be608493af2a27f [1,1,0,1,0,0|1,0,0]=4 31223 B10R1.178 COCO[C@@H](C)C1CCC1 e7483af42ee6628b8880e9712c89d50b [1,1,0,1,0,0|1,0,0]=4 31224 B10R1.178 CSCOC(C)C1CCC1 6e0426d524f4cabe4c123f9fae8bd32d [1,1,0,1,0,0|1,0,0]=4 31225 B10R1.178 CSCO[C@@H](C)C1CCC1 5c940253e55b6afad8d8bb1f240d8506 [1,1,0,1,0,0|1,0,0]=4 31226 B10R1.178 C[C@H](OCCF)C1CCC1 83add22e85945531dbea98569a89132a [1,1,0,1,0,0|1,0,0]=4 31227 B10R1.178 C[C@H](OCCS)C1CCC1 9a5e46cff633027b453d8fb7b39f4723 [1,1,0,1,0,0|1,0,0]=4 31228 B10R1.180 CC(CC1CC1)OCCF 00d609d886d84dfb75970eba4a7f671c [1,1,0,1,0,0|1,0,0]=4 31229 B10R1.180 CC(CC1CC1)OCCS e4fdd45f1ec4fd813aa697d0d2c85807 [1,1,0,1,0,0|1,0,0]=4 31230 B10R1.180 CCCCC(C)NC1CC1 9090cd5cac5846ddc6c908498438e5d9 [1,1,0,1,0,0|1,0,0]=4 31231 B10R1.180 CCCCC(C)OC1CC1 ccdeebf7fe7e2cc0f399aae4a98e3084 [1,1,0,1,0,0|0,0,0]=3 31232 B10R1.180 CCCCN(C)CC1CC1 2d4e27e617f7b6385a13d950b8146e6a [1,1,0,1,0,0|1,0,0]=4 31233 B10R1.180 CCCC[C@@H](C)NC1CC1 9d6f8eada6c0c92b248444c5eebec308 [1,1,0,1,0,0|1,0,0]=4 31234 B10R1.180 CCCC[C@@H](C)OC1CC1 2d5dd57dc38bc6a1c66d3dbe69ba70a0 [1,1,0,1,0,0|0,0,0]=3 31235 B10R1.180 CCCC[C@H](C)OC1CC1 96a39daa952c06e6254427444ee11362 [1,1,0,1,0,0|0,0,0]=3 31236 B10R1.180 CCCOC(C)CC1CC1 6107c498143f3f089df15a92bc97b6f7 [1,1,0,1,0,0|0,0,0]=3 31237 B10R1.180 CCOCC(C)OC1CC1 9f25edbbcfbffa95acd8d6578694d4a3 [1,1,0,1,0,0|1,0,0]=4 31238 B10R1.180 COCCC(C)OC1CC1 563542d0af2fbae11727b53490b52ff2 [1,1,0,1,0,0|1,0,0]=4 31239 B10R1.180 COCOC(C)CC1CC1 078db63840e2f14afbdc9f82fa07a06a [1,1,0,1,0,0|1,0,0]=4 31240 B10R1.180 CSCOC(C)CC1CC1 b3bd28b584e5bb89621d190eddbca3f4 [1,1,0,1,0,0|1,0,0]=4 31241 B10R1.187 CCCN1C(CCC1C)C 5a6a76925443ff130f6402410958295b [1,1,0,1,0,0|1,0,0]=4 31242 B10R1.187 CCCN1[C@@H](CC[C@@H]1C)C 3db1daafbc6ae8905a34fa3bb258b6c3 [1,1,0,1,0,0|1,0,0]=4 31243 B10R1.187 CCCN1[C@@H](CC[C@H]1C)C a17fda22c3b7c623df867f8bc7ebd7f4 [1,1,0,1,0,0|1,0,0]=4 31244 B10R1.187 CCCN1[C@H](CC[C@@H]1C)C 83d9f5f3ed2050adbb45b9af3fb5cc5e [1,1,0,1,0,0|1,0,0]=4 31245 B10R1.216 CCCNC1(CCCC1)C af769cb42167eccd8874ce0d19022fed [1,1,0,1,0,0|1,0,0]=4 31246 B10R1.216 CCNCC1(CCCC1)C 85a951da48a9869bd81e18e4a309649d [1,1,0,1,0,0|1,0,0]=4 31247 B10R1.216 CCNCC1(CCCC1)F 6cdb3fec57914ea19eb18a2c73d8f2c8 [1,1,0,1,0,0|1,0,0]=4 31248 B10R1.216 CCNCC1(CCCC1)O 4e98e08323d1df857185bef7701d14bf [1,1,0,1,0,0|1,0,0]=4 31249 B10R1.216 CCNCC1(CCCO1)C 61f95c0a738351afdd8dd77d86174ee6 [1,1,0,1,0,0|1,0,0]=4 31250 B10R1.216 CCOCC1(CCCC1)C 16c9bb2dffb5488653c960208262ab9f [1,1,0,1,0,0|1,0,0]=4 31251 B10R1.216 CCOCC1(CCCC1)F 91e718afceecddfb872a0d310159fa60 [1,1,0,1,0,0|1,0,0]=4 31252 B10R1.216 CCOCC1(CCCO1)C 7e828391e06376f9a34c029a5aeaa26a [1,1,0,1,0,0|1,0,0]=4 31253 B10R1.1 CCCN1CCC(CC1)C 86d98128819ac83d185f65fd41c22438 [1,1,0,1,0,0|1,0,0]=4 31254 B10R1.1 CCCN1CCC(CC1)Cl a81125eb214c7f433086e071d88e8ffe [1,1,0,1,0,0|1,0,0]=4 31255 B10R1.1 CCCN1CCC(CC1)F ac8b14d2549f412e0a6535facf505cc2 [1,1,0,1,0,0|1,0,0]=4 31256 B10R1.1 CCCN1CCC(CC1)I a0a9b472cd39cc9b459b608efd7074e6 [1,1,0,1,0,0|1,0,0]=4 31257 B10R1.1 CCCN1CCC(CC1)O 7d8d5866b4254c0003d2f97494ec0257 [1,1,0,1,0,0|1,0,0]=4 31258 B10R1.1 CCNC1CCC(CC1)C de7300226dedfd33c02f3e12ca83a3d1 [1,1,0,1,0,0|1,0,0]=4 31259 B10R1.1 CCNC1CCC(CC1)Cl 86055f4cfb332b1125998384e9ab2126 [1,1,0,1,0,0|1,0,0]=4 31260 B10R1.1 CCNC1CCC(CC1)O 11bdf7230bb0541641a7906c8f035576 [1,1,0,1,0,0|1,0,0]=4 31261 B10R1.1 CCN[C@H]1CC[C@@H](CC1)C 4f1d6c52a738c3963ac4210b58ee5190 [1,1,0,1,0,0|1,0,0]=4 31262 B10R1.1 CCN[C@H]1CC[C@@H](CC1)Cl db355985b8c97f7ca2c0f7b25d4caf12 [1,1,0,1,0,0|1,0,0]=4 31263 B10R1.1 CCN[C@H]1CC[C@@H](CC1)O 6d82ef141c9f9752d1b11022331d4ce8 [1,1,0,1,0,0|1,0,0]=4 31264 B10R1.1 CCN[C@H]1CC[C@H](CC1)C 50d90f0b7ff20436b039b5be5ff13a96 [1,1,0,1,0,0|1,0,0]=4 31265 B10R1.1 CCN[C@H]1CC[C@H](CC1)Cl 4ce609e3c37a5dd2184de2559003c29d [1,1,0,1,0,0|1,0,0]=4 31266 B10R1.1 CCN[C@H]1CC[C@H](CC1)O 37daf13a5b58b4eebe6135622f53f3d6 [1,1,0,1,0,0|1,0,0]=4 31267 B10R1.1 CCOC1CCC(CC1)C 473f5a0d2c69bd7a3c2299bc62acf63e [1,1,0,1,0,0|1,0,0]=4 31268 B10R1.1 CCOC1CCC(CC1)F c2dd9c7c48f4d523cfb6c31e70a39cdd [1,1,0,1,0,0|1,0,0]=4 31269 B10R1.1 CCO[C@H]1CC[C@@H](CC1)C 4711e0a471a7d529886bdafcaa020714 [1,1,0,1,0,0|1,0,0]=4 31270 B10R1.1 CCO[C@H]1CC[C@H](CC1)C f034779810f8745f23ae348c0c9216bc [1,1,0,1,0,0|1,0,0]=4 31271 B10R1.2 CCN1CCCC(C1C)O 78a40f985f759a0e55b23a272a59cca8 [1,1,0,1,0,0|1,0,0]=4 31272 B10R1.2 CCN1CCC[C@@H]([C@H]1C)O 5be3875e48bb2a662c69b30cea4e94b4 [1,1,0,1,0,0|1,0,0]=4 31273 B10R1.2 CCN1CCC[C@H]([C@@H]1C)O 74085c55b00b372edf2ec600266376a5 [1,1,0,1,0,0|1,0,0]=4 31274 B10R1.2 CCN1CCOC(C1C)C 8a5b46dc2d5eae657a6d2043c51174bc [1,1,0,1,0,0|1,0,0]=4 31275 B10R1.15 CCC(C)N1CCCOC1 18913e7926158d6dd1837a03eaddc6c7 [1,1,0,1,0,0|1,0,0]=4 31276 B10R1.15 CCN(C)C1CCCCC1 0b02e5f627653026e48ece3dd417af37 [1,1,0,1,0,0|1,0,0]=4 31277 B10R1.15 CCN(C)C1CCCCO1 cae7603ae3b56496142dbd5885dc7e8a [1,1,0,1,0,0|1,0,0]=4 31278 B10R1.15 CCN(C)C1CCCOC1 9e59ad70cfc43e3a46d2ffaed66247e4 [1,1,0,1,0,0|1,0,0]=4 31279 B10R1.27 CC(CF)OC1CCCC1 97867a399c1e9eb340e7bbb466400833 [1,1,0,1,0,0|1,0,0]=4 31280 B10R1.27 CC(CS)OC1CCCC1 4b39db45bda28486099ec6785a2413fb [1,1,0,1,0,0|1,0,0]=4 31281 B10R1.27 CCC(C)NC1CCCC1 89d55d31135b6dd3662c233f7c4e43f7 [1,1,0,1,0,0|1,0,0]=4 31282 B10R1.27 CCC(C)OC1CCCC1 30148a90da521268d6abe312e5583276 [1,1,0,1,0,0|0,0,0]=3 31283 B10R1.27 CCC(C)OC1CCCO1 5b6363d966e8191a9efd9f01e6f672a2 [1,1,0,1,0,0|1,0,0]=4 31284 B10R1.27 CCC(C)OC1CCOC1 e33166b858b743657c09cfe7908b4d4f [1,1,0,1,0,0|1,0,0]=4 31285 B10R1.27 CCC(C)OC1CCSC1 8e336182584fda2f09ab8f8f69dc19ff [1,1,0,1,0,0|1,0,0]=4 31286 B10R1.27 CCC(C)O[C@@H]1CCOC1 58da42554e2ab129b41c8d5ce21b436e [1,1,0,1,0,0|1,0,0]=4 31287 B10R1.27 CCC(C)O[C@@H]1CCSC1 03cd32b421de2c027e962202096df88c [1,1,0,1,0,0|1,0,0]=4 31288 B10R1.27 CCC(C)O[C@H]1CCOC1 2a7261276510d15cdd732378c71bde7e [1,1,0,1,0,0|1,0,0]=4 31289 B10R1.27 CCC(C)O[C@H]1CCSC1 c203876bc5f0c6bbb79ad640ecbda333 [1,1,0,1,0,0|1,0,0]=4 31290 B10R1.27 CCN(C)CC1CCCC1 94e6f2d1b2fb00bbba95ce64cfb383b3 [1,1,0,1,0,0|1,0,0]=4 31291 B10R1.27 CCN(C)CC1CCCO1 acf14a3b06b05262d412ae574858fa7a [1,1,0,1,0,0|1,0,0]=4 31292 B10R1.27 CC[C@@H](C)NC1CCCC1 b81314e14639ad9c2cd42166679c171f [1,1,0,1,0,0|1,0,0]=4 31293 B10R1.27 CC[C@@H](C)OC1CCCC1 c171b6529460dbd027cee80392bb2c21 [1,1,0,1,0,0|0,0,0]=3 31294 B10R1.27 CC[C@@H](C)OC1CCOC1 3ee15c72a4d915d9fa4c19d470cb52de [1,1,0,1,0,0|1,0,0]=4 31295 B10R1.27 CC[C@@H](C)O[C@@H]1CCOC1 b1bb7fc2aa2594d8a01dedfea2a59602 [1,1,0,1,0,0|1,0,0]=4 31296 B10R1.27 CC[C@@H](C)O[C@H]1CCOC1 0ae24a7e529432a4b13e26003ed66a16 [1,1,0,1,0,0|1,0,0]=4 31297 B10R1.27 CC[C@H](C)NC1CCCC1 22f7ae1f83ae0afaa97e035ea084a3a1 [1,1,0,1,0,0|1,0,0]=4 31298 B10R1.27 CC[C@H](C)OC1CCCC1 a67891fdf9084075b692338a2669208f [1,1,0,1,0,0|0,0,0]=3 31299 B10R1.27 CC[C@H](C)OC1CCOC1 1b33e83ad84393db27a83704a475c63d [1,1,0,1,0,0|1,0,0]=4 31300 B10R1.27 CC[C@H](C)O[C@@H]1CCOC1 28c7d38b32c3bcfdc86e67e62d741fef [1,1,0,1,0,0|1,0,0]=4 31301 B10R1.27 CC[C@H](C)O[C@H]1CCOC1 84df48f01aa2586eda4a1c4862d85ca4 [1,1,0,1,0,0|1,0,0]=4 31302 B10R1.27 C[C@H](CS)OC1CCCC1 979d869aad158cac30fd5340f66b6a8b [1,1,0,1,0,0|1,0,0]=4 31303 B10R1.70 CC1(CC1)CCOCCF 6e16a05c718c679273c72c59dfa0ad1e [1,1,0,1,0,0|1,0,0]=4 31304 B10R1.70 CC1(CC1)CCOCCS a1b41502eb0f664f3c9de9ff14598992 [1,1,0,1,0,0|1,0,0]=4 31305 B10R1.70 CC1(CC1)COCCCF 72a578068592c532e0938073d4edd09c [1,1,0,1,0,0|1,0,0]=4 31306 B10R1.70 CC1(CC1)COCCCS 7c6f7c2ca379d08be1fb8153c0259c09 [1,1,0,1,0,0|1,0,0]=4 31307 B10R1.70 CCCCCNC1(CC1)C 92c38e209e5c381a6ed78f0f1f0d97ff [1,1,0,1,0,0|1,0,0]=4 31308 B10R1.70 CCCCNCC1(CC1)C 71455e602d445b27e1b93af851ac8528 [1,1,0,1,0,0|1,0,0]=4 31309 B10R1.70 CCCCNCC1(CC1)F e347d149454298d3e4e04e5231e68a50 [1,1,0,1,0,0|1,0,0]=4 31310 B10R1.70 CCCCNCC1(CC1)O aced9f4505b2c58c22038c3fa595f7a3 [1,1,0,1,0,0|1,0,0]=4 31311 B10R1.70 CCCCOCC1(CC1)Br 40e395a86db9f48f3061f2e3abdb8490 [1,1,0,1,0,0|0,0,0]=3 31312 B10R1.70 CCCCOCC1(CC1)C 292cb3b86af5234a85d6284cf5539382 [1,1,0,1,0,0|0,0,0]=3 31313 B10R1.70 CCCCOCC1(CC1)Cl 4577bdd152c484d024b42c5d1108018f [1,1,0,1,0,0|0,0,0]=3 31314 B10R1.70 CCCCOCC1(CC1)F 16d8e63470b9a06e5dd07a8556cc0c02 [1,1,0,1,0,0|0,0,0]=3 31315 B10R1.70 CCCNCCC1(CC1)O b49e5b78f99934078b0e9d2b40d8a67a [1,1,0,1,0,0|1,0,0]=4 31316 B10R1.70 CCCOCCC1(CC1)C 511669a4bd551670c45f932352b6a8f3 [1,1,0,1,0,0|0,0,0]=3 31317 B10R1.70 CCOCOCC1(CC1)Br 2b3065ecb99b5d3c17c82c3d8b062db3 [1,1,0,1,0,0|1,0,0]=4 31318 B10R1.70 CCOCOCC1(CC1)C d1a68cdf558d9c716b3b4fb98eca2dc8 [1,1,0,1,0,0|1,0,0]=4 31319 B10R1.70 CCOCOCC1(CC1)Cl 051ecc21e9424ea17ec8e8979de37313 [1,1,0,1,0,0|1,0,0]=4 31320 B10R1.70 CCOCOCC1(CC1)F 6c17ca4469eca13ad9a34bc19b189bde [1,1,0,1,0,0|1,0,0]=4 31321 B10R1.70 COCCOCC1(CC1)Br b4c208bf46f1955573ff880b48a82148 [1,1,0,1,0,0|1,0,0]=4 31322 B10R1.70 COCCOCC1(CC1)C 6e66288a45599c50ebfc5a505821c22b [1,1,0,1,0,0|1,0,0]=4 31323 B10R1.70 COCCOCC1(CC1)Cl 7a63d9e64eb5005f33827bfe9b28c18e [1,1,0,1,0,0|1,0,0]=4 31324 B10R1.70 COCCOCC1(CC1)F dfdd1be073c148682037cdf45373e6aa [1,1,0,1,0,0|1,0,0]=4 31325 B10R1.70 COCOCCC1(CC1)C 613bac87d1615ac600b752226b72d15e [1,1,0,1,0,0|1,0,0]=4 31326 B10R1.70 CSCCOCC1(CC1)Br 01dd373df7578b867c51a63a09597597 [1,1,0,1,0,0|1,0,0]=4 31327 B10R1.70 CSCCOCC1(CC1)C c16637c9a76490e9f1623fc383b5013e [1,1,0,1,0,0|1,0,0]=4 31328 B10R1.70 CSCCOCC1(CC1)Cl f34a340696ee2c4875327324162d0f2c [1,1,0,1,0,0|1,0,0]=4 31329 B10R1.70 CSCCOCC1(CC1)F 229418cde383079a35af296f673f713e [1,1,0,1,0,0|1,0,0]=4 31330 B10R1.70 CSCOCCC1(CC1)C 1947bc03f5b323b14441643d1b4d2657 [1,1,0,1,0,0|1,0,0]=4 31331 B10R1.70 FC1(CC1)COCCCS d1341811c7df26d609b6c753f35144da [1,1,0,1,0,0|1,0,0]=4 31332 B10R1.70 FCCCOCC1(CC1)Br 0c62f776eaf529138288231d9a9f047c [1,1,0,1,0,0|1,0,0]=4 31333 B10R1.70 FCCCOCC1(CC1)Cl 61090a6213303f5cc49b86d6fbea860b [1,1,0,1,0,0|1,0,0]=4 31334 B10R1.70 FCCCOCC1(CC1)F bdcec0aeebf626d1dde257a8ff3d148f [1,1,0,1,0,0|1,0,0]=4 31335 B10R1.70 SCCCOCC1(CC1)Br 656742c5b202622a9b0341d272c487b4 [1,1,0,1,0,0|1,0,0]=4 31336 B10R1.70 SCCCOCC1(CC1)Cl f3a8bedd52d6685fc61b617bc6d8ae06 [1,1,0,1,0,0|1,0,0]=4 31337 B10R1.94 CCCN1CCC(C1C)O 88c654034e55c489e5e3af3798d487d0 [1,1,0,1,0,0|1,0,0]=4 31338 B10R1.94 CCCN1CC[C@@H]([C@@H]1C)O dbfcfc50b4a50b631e4aada3a6b2f410 [1,1,0,1,0,0|1,0,0]=4 31339 B10R1.94 CCCN1CC[C@H]([C@H]1C)O c2929f08b651d19dc140772747889f6c [1,1,0,1,0,0|1,0,0]=4 31340 B10R1.149 CCC(C)N1CCCC1C 0ce206aa2d5c7117f15681503efe0e63 [1,1,0,1,0,0|1,0,0]=4 31341 B10R1.149 CCC(C)N1CCC[C@@H]1C ab003cf111ec04477f2441823cf10224 [1,1,0,1,0,0|1,0,0]=4 31342 B10R1.149 CCC(C)N1CCC[C@H]1C faf3f792b5d2ad3a4dc3ab042c778801 [1,1,0,1,0,0|1,0,0]=4 31343 B10R1.151 BrCC(Br)COC1CCC1 5e6eb4ddd9e6fb286af909ddea66e1b8 [1,1,0,1,0,0|1,0,0]=4 31344 B10R1.151 C=C(CC)COC1CCC1 f1fe3538e2f0e67184c2b3c3aad6703b [1,1,0,1,0,0|0,0,1]=4 31345 B10R1.151 CC(CF)OCC1CCC1 985b9f1f3c50860f77024209dcf8abe0 [1,1,0,1,0,0|1,0,0]=4 31346 B10R1.151 CC(CS)OCC1CCC1 858633a79b53e69d842f7d3d9f2722ec [1,1,0,1,0,0|1,0,0]=4 31347 B10R1.151 CCC(=O)COC1CCC1 797a1b47e733c60d896bb18b4fc6eb5c [1,1,0,1,0,0|0,0,1]=4 31348 B10R1.151 CCC(C)CCN1CCC1 d2d381475ba38903a7fe80efc16900ae [1,1,0,1,0,0|1,0,0]=4 31349 B10R1.151 CCC(C)CNC1CCC1 dbe7fc3b4f321ff70d048d83b7a4ca84 [1,1,0,1,0,0|1,0,0]=4 31350 B10R1.151 CCC(C)COC1CCC1 dd8b0f20a5da2675ab2e024f75a3ba5d [1,1,0,1,0,0|0,0,0]=3 31351 B10R1.151 CCC(C)COC1COC1 4d6c843545f58aa8e6dfb7af8f9a3f04 [1,1,0,1,0,0|1,0,0]=4 31352 B10R1.151 CCC(C)COC1CSC1 0ac8bfeaa386ad76ffcbb3ec105f56f8 [1,1,0,1,0,0|1,0,0]=4 31353 B10R1.151 CCC(C)NCC1CCC1 602bed144c9b8f5289d92a79aac713a2 [1,1,0,1,0,0|1,0,0]=4 31354 B10R1.151 CCC(C)OCC1CCC1 64478b28f17ff782fccb086026fdb3d1 [1,1,0,1,0,0|0,0,0]=3 31355 B10R1.151 CCC(C)OCC1CCO1 2f91f9ddfbeded3aff67cf4ba18e2fa4 [1,1,0,1,0,0|1,0,0]=4 31356 B10R1.151 CCC(C)OCC1COC1 07c2af8d40f052169d9985a253f5e66c [1,1,0,1,0,0|1,0,0]=4 31357 B10R1.151 CCC(C)OCC1CSC1 005d63b5f6fccd11be6fa6654d1f7a03 [1,1,0,1,0,0|1,0,0]=4 31358 B10R1.151 CCC(C)OC[C@@H]1CCO1 a1a8290f3ad3d7bf07f02dbd41fccc4a [1,1,0,1,0,0|1,0,0]=4 31359 B10R1.151 CCC(C)OC[C@H]1CCO1 c7cc600854c0df3af8d77c2a4f386065 [1,1,0,1,0,0|1,0,0]=4 31360 B10R1.151 CCC(O)CNC1CCC1 c415f65719601ffdbbda7433d90a4845 [1,1,0,1,0,0|1,0,0]=4 31361 B10R1.151 CCN(C)CCC1CCC1 695965404daa6b4e3f5227fd6e07eec8 [1,1,0,1,0,0|1,0,0]=4 31362 B10R1.151 CC[C@@H](C)CNC1CCC1 b16ea6557bb765149aa6503aa57d394b [1,1,0,1,0,0|1,0,0]=4 31363 B10R1.151 CC[C@@H](C)COC1CCC1 a844ebd387086d80b225be0e71e8854f [1,1,0,1,0,0|0,0,0]=3 31364 B10R1.151 CC[C@@H](C)COC1COC1 ca6e9d2f7b87da1f68d9cafcc00ed7ff [1,1,0,1,0,0|1,0,0]=4 31365 B10R1.151 CC[C@@H](C)COC1CSC1 31c0fdc3cdbcbc356812901c3a4e64ab [1,1,0,1,0,0|1,0,0]=4 31366 B10R1.151 CC[C@@H](C)NCC1CCC1 5eaad1c726ff7850f0b76b05114ad115 [1,1,0,1,0,0|1,0,0]=4 31367 B10R1.151 CC[C@@H](C)OCC1CCC1 38ba48ce6de88737e5573ffc67f149a5 [1,1,0,1,0,0|0,0,0]=3 31368 B10R1.151 CC[C@@H](C)OCC1CCO1 8bd2c62533eb0f52da7202ddf0a5f46d [1,1,0,1,0,0|1,0,0]=4 31369 B10R1.151 CC[C@@H](C)OCC1COC1 60049824e74973e237b4670490d417aa [1,1,0,1,0,0|1,0,0]=4 31370 B10R1.151 CC[C@@H](C)OC[C@@H]1CCO1 04d124b77af9e6272c7bd1e6aa655943 [1,1,0,1,0,0|1,0,0]=4 31371 B10R1.151 CC[C@@H](C)OC[C@H]1CCO1 1584f11687544094eb442746424e0fda [1,1,0,1,0,0|1,0,0]=4 31372 B10R1.151 CC[C@@H](O)CNC1CCC1 eb5bf74c3de8783c96debe7764693437 [1,1,0,1,0,0|1,0,0]=4 31373 B10R1.151 CC[C@H](C)CNC1CCC1 b96a75c827c4e1a46ac364e89edd111a [1,1,0,1,0,0|1,0,0]=4 31374 B10R1.151 CC[C@H](C)COC1CCC1 7b4d50303a82b088aca40c3714ce5a4f [1,1,0,1,0,0|0,0,0]=3 31375 B10R1.151 CC[C@H](C)COC1COC1 e954d74e85013d4d3fd94686fb7ce5ca [1,1,0,1,0,0|1,0,0]=4 31376 B10R1.151 CC[C@H](C)COC1CSC1 5010fe8c26c849956f5cd818507bbd35 [1,1,0,1,0,0|1,0,0]=4 31377 B10R1.151 CC[C@H](C)NCC1CCC1 1508c2b75c705769ad01603e9e799056 [1,1,0,1,0,0|1,0,0]=4 31378 B10R1.151 CC[C@H](C)OCC1CCC1 216475738fa1c5139bd52964b0605b90 [1,1,0,1,0,0|0,0,0]=3 31379 B10R1.151 CC[C@H](C)OCC1CCO1 0e128590c12794f310923814da71d607 [1,1,0,1,0,0|1,0,0]=4 31380 B10R1.151 CC[C@H](C)OCC1COC1 1d20e44982db682520b49129f0e5c726 [1,1,0,1,0,0|1,0,0]=4 31381 B10R1.151 CC[C@H](C)OC[C@@H]1CCO1 d9b4ea8055a8d7d10ada6355faeb756d [1,1,0,1,0,0|1,0,0]=4 31382 B10R1.151 CC[C@H](C)OC[C@H]1CCO1 0d98a42f7220aff9ef398a83f8197562 [1,1,0,1,0,0|1,0,0]=4 31383 B10R1.151 COC(C)COC1CCC1 0665b3ec74128f1c333cec8959cd133d [1,1,0,1,0,0|1,0,0]=4 31384 B10R1.151 CO[C@@H](C)COC1CCC1 81555f2a63916f95456698ccd15022b0 [1,1,0,1,0,0|1,0,0]=4 31385 B10R1.151 CO[C@H](C)COC1CCC1 48fb4cf3c073fae93b8012c689ae1d3e [1,1,0,1,0,0|1,0,0]=4 31386 B10R1.151 C[C@H](CS)OCC1CCC1 8305630ef10a49b78f58a31ab6a4c5a3 [1,1,0,1,0,0|1,0,0]=4 31387 B10R1.151 ClCC(Cl)COC1CCC1 aa6cbf4d100c8c638feddd2b87f05fc0 [1,1,0,1,0,0|1,0,0]=4 31388 B10R1.151 OCC(O)COC1CCC1 39556cffccb9d348823b29a7a179c847 [1,1,0,1,0,0|1,0,0]=4 31389 B10R1.151 OC[C@@H](O)COC1CCC1 ad89d56cdb0a1bca99236d645d6f4829 [1,1,0,1,0,0|1,0,0]=4 31390 B10R1.151 OC[C@H](O)COC1CCC1 71f3befd969996f2746900775c7f3fc7 [1,1,0,1,0,0|1,0,0]=4 31391 B10R1.151 SCC(S)COC1CCC1 331faa9ad924ca738baa67c688c0cf49 [1,1,0,1,0,0|1,0,0]=4 31392 B10R1.153 BrCC(Br)COCC1CC1 b2fc2d6c163334cc5ddfee55b13dabd0 [1,1,0,1,0,0|1,0,0]=4 31393 B10R1.153 C=C(CC)COCC1CC1 c1aa05ce3a83c8519b9a512a11471da7 [1,1,0,1,0,0|0,0,1]=4 31394 B10R1.153 CC(CF)OCCC1CC1 f51e58307cc7dd2a4d8b64b4a7ab3e80 [1,1,0,1,0,0|1,0,0]=4 31395 B10R1.153 CC(CS)OCCC1CC1 293e9db0804018d4d54bb76d2a9e5706 [1,1,0,1,0,0|1,0,0]=4 31396 B10R1.153 CCC(=O)COCC1CC1 f372fe9dbfb81be46e380f625d46fa2f [1,1,0,1,0,0|0,0,1]=4 31397 B10R1.153 CCC(C)CCNC1CC1 399342557abdcdc0d591444d68dccc0f [1,1,0,1,0,0|1,0,0]=4 31398 B10R1.153 CCC(C)CCOC1CC1 94652f011817de6388a39e62664cf764 [1,1,0,1,0,0|0,0,0]=3 31399 B10R1.153 CCC(C)CNCC1CC1 15d70bc2eb0c5947e619692b6dd17f13 [1,1,0,1,0,0|1,0,0]=4 31400 B10R1.153 CCC(C)COCC1CC1 1ba4dc3b6419240f5c65d12a95d7d13c [1,1,0,1,0,0|0,0,0]=3 31401 B10R1.153 CCC(C)NCCC1CC1 25370fee93c75a4b66e1fbb7ce6be26e [1,1,0,1,0,0|1,0,0]=4 31402 B10R1.153 CCC(C)OCCC1CC1 2578d42f2fb2648199a124294c040837 [1,1,0,1,0,0|0,0,0]=3 31403 B10R1.153 CCC(C)OCCN1CC1 58942fb1142ecbcdc873f724173585ab [1,1,0,1,0,0|1,0,0]=4 31404 B10R1.153 CCC(O)CNCC1CC1 ff0d8948eb7db117c44b1fb1f76def71 [1,1,0,1,0,0|1,0,0]=4 31405 B10R1.153 CCC(S)CCOC1CC1 47bbfa0c6748d9fc24a7a7c29b9468c5 [1,1,0,1,0,0|0,0,0]=3 31406 B10R1.153 CCN(C)CCOC1CC1 cf4ee2dfcfff13d77e1dbeb12e9c92cb [1,1,0,1,0,0|1,0,0]=4 31407 B10R1.153 CCS(=O)CCOC1CC1 aadad38fc6a6389fcb34ef5bc903375e [1,1,0,1,0,0|1,0,0]=4 31408 B10R1.153 CC[C@@H](C)CNCC1CC1 432d20da91c487278236eadc90fce51e [1,1,0,1,0,0|1,0,0]=4 31409 B10R1.153 CC[C@@H](C)COCC1CC1 343fbbba161c1ac882279ace4baefe22 [1,1,0,1,0,0|0,0,0]=3 31410 B10R1.153 CC[C@@H](C)NCCC1CC1 372eee49163cb975ad437cad515ffd89 [1,1,0,1,0,0|1,0,0]=4 31411 B10R1.153 CC[C@@H](C)OCCC1CC1 45d0df1b4330dbbcdb4b0cd0822b0970 [1,1,0,1,0,0|0,0,0]=3 31412 B10R1.153 CC[C@@H](O)CNCC1CC1 b63c00596012ac64e9518e30fc37456a [1,1,0,1,0,0|1,0,0]=4 31413 B10R1.153 CC[C@H](C)CCOC1CC1 010360aab4536678be3585e69695f744 [1,1,0,1,0,0|0,0,0]=3 31414 B10R1.153 CC[C@H](C)CNCC1CC1 6eaf7d679c34f87c054cfff19c0aad54 [1,1,0,1,0,0|1,0,0]=4 31415 B10R1.153 CC[C@H](C)COCC1CC1 9736c5a4d2bf6dd28d1e955e29de56ec [1,1,0,1,0,0|0,0,0]=3 31416 B10R1.153 CC[C@H](C)NCCC1CC1 51daf5223a32f4012e26e162842dbc5c [1,1,0,1,0,0|1,0,0]=4 31417 B10R1.153 CC[C@H](C)OCCC1CC1 9c153a701e07208b3e62024321dac3da [1,1,0,1,0,0|0,0,0]=3 31418 B10R1.153 COC(C)CCOC1CC1 d62ca5ffe9d5254ba051e4e6af88e887 [1,1,0,1,0,0|1,0,0]=4 31419 B10R1.153 COC(C)COCC1CC1 3d64c32839bb3c3204109d5fb44b2046 [1,1,0,1,0,0|1,0,0]=4 31420 B10R1.153 CO[C@@H](C)COCC1CC1 4f979e105401fcf132eda00ccb4c0c34 [1,1,0,1,0,0|1,0,0]=4 31421 B10R1.153 CO[C@H](C)COCC1CC1 7d84c3fb0599334c6bf81a9d41ff7c06 [1,1,0,1,0,0|1,0,0]=4 31422 B10R1.153 C[C@H](CS)OCCC1CC1 6062ccad401da91b93e00df050ff6480 [1,1,0,1,0,0|1,0,0]=4 31423 B10R1.153 ClCC(Cl)COCC1CC1 94c6643dd1c489ee07dab3de111f32ea [1,1,0,1,0,0|1,0,0]=4 31424 B10R1.153 OCC(O)COCC1CC1 70f29ec3329521748017c74145ff1d7d [1,1,0,1,0,0|1,0,0]=4 31425 B10R1.153 OC[C@@H](O)COCC1CC1 c351ff15a00c6949864c778e2badf18b [1,1,0,1,0,0|1,0,0]=4 31426 B10R1.153 OC[C@H](O)COCC1CC1 b69a1ea0c709cbdfd070d88718538113 [1,1,0,1,0,0|1,0,0]=4 31427 B10R1.153 SCC(S)COCC1CC1 e083fed8dba72d7e6ad2cbf76c99020c [1,1,0,1,0,0|1,0,0]=4 31428 B10R1.172 CCC1CCCN(C1)CC 67c05aafcfa3d3cf07698e15bf34fccd [1,1,0,1,0,0|1,0,0]=4 31429 B10R1.172 CCC1CN(CCO1)CC 7364ba04581aae2a4f97ca3aebbcd61f [1,1,0,1,0,0|1,0,0]=4 31430 B10R1.172 CC[C@@H]1CN(CCO1)CC c148e2d9cca322d3075d560bfff7ec73 [1,1,0,1,0,0|1,0,0]=4 31431 B10R1.172 CC[C@H]1CN(CCO1)CC 67912ec8738a0acf5d3712729e6ca9bd [1,1,0,1,0,0|1,0,0]=4 31432 B10R1.175 CCC(C)N1CCC1CC fe84f3554c8d7c3a02ff493358b02f51 [1,1,0,1,0,0|1,0,0]=4 31433 B10R1.206 CCC(C)CNC1CC1C 94f3f8fe6fb8e1f17b10ffbf7914e8e3 [1,1,0,1,0,0|1,0,0]=4 31434 B10R1.206 CCC(C)OCC1CC1C 5b62d8db7f7032b57d7f88f35d77858d [1,1,0,1,0,0|0,0,0]=3 31435 B10R1.206 CCC(C)OC[C@@H]1C[C@@H]1C b7da233983cb19e3f2c56d976903273d [1,1,0,1,0,0|0,0,0]=3 31436 B10R1.206 CCC(C)OC[C@@H]1C[C@@H]1F fe603b3cde990070321eed51f13ae395 [1,1,0,1,0,0|1,0,0]=4 31437 B10R1.206 CCC(C)OC[C@@H]1C[C@H]1C b7697466b1507918d43bfee94db7bd45 [1,1,0,1,0,0|0,0,0]=3 31438 B10R1.206 CCC(C)OC[C@@H]1C[C@H]1F f3f23bdc4132d98981bfd10138c02c99 [1,1,0,1,0,0|1,0,0]=4 31439 B10R1.206 CCC(C)OC[C@H]1C[C@@H]1C 46abb4ce75360a0a016055d93ab9d9f0 [1,1,0,1,0,0|0,0,0]=3 31440 B10R1.206 CCC(C)OC[C@H]1C[C@@H]1F ccb4aa87fd819f5f20730f2194d37bad [1,1,0,1,0,0|1,0,0]=4 31441 B10R1.206 CCC(C)OC[C@H]1C[C@H]1F 069dfe635ce1c9700a3f895e717514b1 [1,1,0,1,0,0|1,0,0]=4 31442 B10R1.206 CCC(O)CNC1CC1C 55946835cded6021f327e3d0795b9fae [1,1,0,1,0,0|1,0,0]=4 31443 B10R1.206 CC[C@@H](C)CNC1CC1C b1a9f90f7045c430486e1311ab325ddd [1,1,0,1,0,0|1,0,0]=4 31444 B10R1.206 CC[C@H](C)CNC1CC1C 043d794f431e4cd36c71f877aa2cd7d3 [1,1,0,1,0,0|1,0,0]=4 31445 B10R1.463 CCC(C)N[C@@H]1CC[C@H]1C 8d15fb2706502e675f310945fd7073ba [1,1,0,1,0,0|1,0,0]=4 31446 B10R1.463 CCC(C)N[C@H]1CC[C@H]1C 7652777278996e38d205e22258982563 [1,1,0,1,0,0|1,0,0]=4 31447 B10R1.463 CCC(C)OC1COC1C 77a5ef823f74a4252405573f9c922168 [1,1,0,1,0,0|1,0,0]=4 31448 B10R2.50 CCOC1CCC12CC2 a03d1838aac97f875dde62a5410b0809 [1,0,0,2,0,0|1,0,0]=4 31449 B10R2.121 CCN1CC2C1CCC2 f85f13c4ef8a0ebcb2acaca049420f3e [1,0,0,2,0,0|1,0,0]=4 31450 B10R2.121 CCN1C[C@H]2[C@@H]1CCC2 ec03649cd185c89ebe7bec3c1b012cb8 [1,0,0,2,0,0|1,0,0]=4 31451 B10R2.160 CCN1C2COCC1C2 018fe3f32acd130d8ec633447b8a732d [1,0,0,2,0,0|1,0,0]=4 31452 B10R2.6 C1COCN(C1)C2CC2 f5b8c8a2ef5802418a44fc983e715c8b [1,0,0,2,0,0|1,0,0]=4 31453 B10R2.58 CCCN1CC2CC2C1 2f4d664cd072101e266d977af7009940 [1,0,0,2,0,0|1,0,0]=4 31454 B10R2.58 CCOC1CC2CC2C1 6a8a083a393f1e58f8a2ac9d11c95da3 [1,0,0,2,0,0|1,0,0]=4 31455 B10R2.58 CCOC1C[C@@H]2C[C@@H]2C1 fa009518c41528c51bd4b0d216fd21c1 [1,0,0,2,0,0|1,0,0]=4 31456 B10R2.58 CCO[C@@H]1C[C@@H]2C[C@@H]2C1 546181f45e7372b1e7d03a25ba055345 [1,0,0,2,0,0|1,0,0]=4 31457 B10R2.58 CCO[C@H]1C[C@@H]2C[C@@H]2C1 a92ada4d08b0809e312e91d8c684c32d [1,0,0,2,0,0|1,0,0]=4 31458 B10R2.161 CCN1C2CCC1CC2 f84f7185249790b2c036181a673a7e64 [1,0,0,2,0,0|1,0,0]=4 31459 B10R2.161 CCN1[C@H]2CC[C@@H]1CC2 1bb39b377edf98fd683d63cd5c6d5284 [1,0,0,2,0,0|1,0,0]=4 31460 B10R2.172 CCCN1C2C1CCC2 40e8cf9b94803b9fdfaaf827ae0fca6b [1,0,0,2,0,0|1,0,0]=4 31461 B10R2.368 CCCN1CCC2C1C2 620d949b0cec8b440393253850732cbf [1,0,0,2,0,0|1,0,0]=4 31462 B10R2.368 CCOC1CCC2C1C2 d4e9987cb63a9ccb0eead7207c99b478 [1,0,0,2,0,0|1,0,0]=4 31463 B10R2.368 CCO[C@@H]1CC[C@@H]2[C@H]1C2 781092ba12891af7e92e6ca046e78c5d [1,0,0,2,0,0|1,0,0]=4 31464 B10R2.513 CCN1C2C1CCCC2 bd43fed2867ffc04153365e744c2e524 [1,0,0,2,0,0|1,0,0]=4 31465 B10R2.99 CCN1CC2CC1CO2 d714b48e0b599defb7e3a2a8b6b7a99f [1,0,0,2,0,0|1,0,0]=4 31466 B10R2.99 CCN1CC2CCC1C2 9a88ae77aebe768272bf08042f59b227 [1,0,0,2,0,0|1,0,0]=4 31467 B10R2.99 CCN1C[C@@H]2CC[C@H]1C2 a9d13446afba5cb3742f034b89f92e2e [1,0,0,2,0,0|1,0,0]=4 31468 B10R2.99 CCN1C[C@@H]2C[C@H]1CO2 56e7d3b67e99e74d8c3b2dc67532b67b [1,0,0,2,0,0|1,0,0]=4 31469 B10R2.99 CCN1C[C@H]2CC[C@@H]1C2 37c53875b8891b94fcb1a30a016396e3 [1,0,0,2,0,0|1,0,0]=4 31470 B10R2.99 CCN1C[C@H]2C[C@@H]1CO2 df048a8cb0cdf7ec3b0cfa96355ca4d1 [1,0,0,2,0,0|1,0,0]=4 31471 B10R2.136 C1CCC(C1)N2CCC2 55c0eba2a0da70bb3fa81564ad58678d [1,0,0,2,0,0|1,0,0]=4 31472 B10R2.142 CCOCC12CCC1C2 1f40ecb3dc3329c996f55c181baa6e00 [1,0,0,2,0,0|1,0,0]=4 31473 B10R2.193 C1CC(CO1)OC2CC2 5b96304acf64e0c45a2562cbe12004d9 [1,0,0,2,0,0|1,0,0]=4 31474 B10R2.193 C1CC(CS1)OC2CC2 2f5764415e22d1ce25b71cc45e843b4d [1,0,0,2,0,0|1,0,0]=4 31475 B10R2.193 C1CCC(C1)NC2CC2 05c735b7017fd6171ff0cecd09be7ead [1,0,0,2,0,0|1,0,0]=4 31476 B10R2.193 C1CCC(C1)OC2CC2 ffa67fe737357df258d24ded5cab83af [1,0,0,2,0,0|0,0,0]=3 31477 B10R2.193 C1COC(C1)OC2CC2 b93e9bf93f81fcd3534310382df9b5df [1,0,0,2,0,0|1,0,0]=4 31478 B10R2.193 C1C[C@@H](CO1)OC2CC2 6d3cbaaf7ba25f2d6ec02a51adcb5efa [1,0,0,2,0,0|1,0,0]=4 31479 B10R2.193 C1C[C@@H](CS1)OC2CC2 7de951a725bde0ad3fdcca8ac683bb0d [1,0,0,2,0,0|1,0,0]=4 31480 B10R2.193 C1C[C@H](CO1)OC2CC2 57b6f520c850f4a80b7b9b04a2ccc96d [1,0,0,2,0,0|1,0,0]=4 31481 B10R2.193 C1C[C@H](CS1)OC2CC2 8a2bee3d544fafcf7d035f6840c887ff [1,0,0,2,0,0|1,0,0]=4 31482 B10R2.402 CCN1CCOC2C1C2 e0904a458e288ca39bc7c114dcfef41d [1,0,0,2,0,0|1,0,0]=4 31483 B10R2.75 CC1CC1COC2CC2 53caace4e8a9bcbe2a80dc0f3fe8e923 [1,0,0,2,0,0|0,0,0]=3 31484 B10R2.75 CC1CC1NCC2CC2 a970c99aa532564e066a38fd08c4978d [1,0,0,2,0,0|1,0,0]=4 31485 B10R2.75 C[C@@H]1C[C@H]1COC2CC2 336c031aad021598e1f476e5f5d4376f [1,0,0,2,0,0|0,0,0]=3 31486 B10R2.75 C[C@H]1C[C@@H]1COC2CC2 85df20231a67d50a3efc212c6152168c [1,0,0,2,0,0|0,0,0]=3 31487 B10R2.75 C[C@H]1C[C@H]1COC2CC2 fe5f015d81bfd42fa3b6a5e6b753a741 [1,0,0,2,0,0|0,0,0]=3 31488 B10R2.75 F[C@@H]1C[C@@H]1COC2CC2 756dd0d79ae144a0af0b737fae4d43a7 [1,0,0,2,0,0|1,0,0]=4 31489 B10R2.75 F[C@@H]1C[C@H]1COC2CC2 cf0153d761f518bb75b2dedffbde44b4 [1,0,0,2,0,0|1,0,0]=4 31490 B10R2.75 F[C@H]1C[C@@H]1COC2CC2 875ee99fb6083f978bbd1932ac497010 [1,0,0,2,0,0|1,0,0]=4 31491 B10R2.75 F[C@H]1C[C@H]1COC2CC2 56a94c8d0600e5479872a4caee982245 [1,0,0,2,0,0|1,0,0]=4 31492 B10R2.109 CCN1CCC2CC2C1 f21090fa3edd3d3600249d33808a6b0c [1,0,0,2,0,0|1,0,0]=4 31493 B10R2.230 CC1CC1NC2CCC2 7998717e79d4a9b717ddcf603aed7ebd [1,0,0,2,0,0|1,0,0]=4 31494 B10R2.56 CCCN1CC2CC1C2 e9786fb6b6da15380c376e3c19d1f075 [1,0,0,2,0,0|1,0,0]=4 31495 B10R2.192 C1CC(C1)CN2CCC2 0f92ee9af0d7cbaf71b3fba9a698bac6 [1,0,0,2,0,0|1,0,0]=4 31496 B10R2.192 C1CC(C1)NC2CCC2 fb4539196bb2651cf07f644d8859e56f [1,0,0,2,0,0|1,0,0]=4 31497 B10R2.192 C1CC(C1)OC2CCC2 4523c6ba328339c8f35a2f64452a7532 [1,0,0,2,0,0|0,0,0]=3 31498 B10R2.192 C1CC(C1)OC2COC2 b2e964a603a238419d491ad820ef60b4 [1,0,0,2,0,0|1,0,0]=4 31499 B10R2.192 C1CC(C1)OC2CSC2 6034f28e2dc2fa1c02bff0defb784b1d [1,0,0,2,0,0|1,0,0]=4 31500 B10R2.411 C(OC1CC1)C2CSC2 d2dfbbcea1ecc08842afd695d9cd8370 [1,0,0,2,0,0|1,0,0]=4 31501 B10R2.411 C1CC(C1)CNC2CC2 45d24810ee213e4d6c3c99fb585120a9 [1,0,0,2,0,0|1,0,0]=4 31502 B10R2.411 C1CC(C1)COC2CC2 d7701432f421597e4430a2a53dbc8a48 [1,0,0,2,0,0|0,0,0]=3 31503 B10R2.411 C1CC(C1)NCC2CC2 401f4bc21f413191a0ff6074a1473750 [1,0,0,2,0,0|1,0,0]=4 31504 B10R2.411 C1CC(C1)OCC2CC2 b76b2ba84bfed79edb2d76d3fd92eb72 [1,0,0,2,0,0|0,0,0]=3 31505 B10R2.411 C1CC(O1)COC2CC2 7036fefdedae49ff6c84894a06031b7d [1,0,0,2,0,0|1,0,0]=4 31506 B10R2.411 C1CC1COC2COC2 55cdcae31142069482d1984219cf9d33 [1,0,0,2,0,0|1,0,0]=4 31507 B10R2.411 C1CC1COC2CSC2 3573d4c137163dd361e0c3c326d0722d [1,0,0,2,0,0|1,0,0]=4 31508 B10R2.411 C1CN(C1)CCC2CC2 54048013b377c02ff5e8de575d58f229 [1,0,0,2,0,0|1,0,0]=4 31509 B10R2.411 C1C[C@@H](O1)COC2CC2 eb94267535c1441692f0b1b98d220444 [1,0,0,2,0,0|1,0,0]=4 31510 B10R2.411 C1C[C@H](O1)COC2CC2 19055f7a9a9d6df4d72fee9778f906ed [1,0,0,2,0,0|1,0,0]=4 31511 B10R2.411 C1OCC1COC2CC2 2d9943146f806bedb323e3a43fa4e170 [1,0,0,2,0,0|1,0,0]=4 31512 B10R2.82 CCOCC1CC12CC2 a7175f3a33cff3d002133ea4be0d5380 [1,0,0,2,0,0|1,0,0]=4 31513 B10R2.27 CC1OCC1OC2CC2 8e141dcf64ce37563d3f334f11761a58 [1,0,0,2,0,0|1,0,0]=4 31514 B10R2.27 C[C@@H]1CC[C@@H]1NC2CC2 b01a029f53c15ffffb0310fad06c35a9 [1,0,0,2,0,0|1,0,0]=4 31515 B10R2.27 C[C@@H]1CC[C@H]1NC2CC2 f63657d7c0a74c2b2d938b1bbcc3ed08 [1,0,0,2,0,0|1,0,0]=4 31516 B10R2.93 CCN1CC2CCC2C1 f916cf7ecdf3305edf81f6629db45175 [1,0,0,2,0,0|1,0,0]=4 31517 B10R2.410 C(CC1CC1)NC2CC2 0063577c004ffb6721b261f9305db948 [1,0,0,2,0,0|1,0,0]=4 31518 B10R2.410 C(CC1CC1)OC2CC2 9997dbd13767e637002c84d290cb2818 [1,0,0,2,0,0|0,0,0]=3 31519 B10R2.410 C(CN1CC1)OC2CC2 6211bef95de8d9e1226305d07c2d7ada [1,0,0,2,0,0|1,0,0]=4 31520 B10R2.410 C1CC1CNCC2CC2 380ab2dff3a231783e44a32a6aa5c06b [1,0,0,2,0,0|1,0,0]=4 31521 B10R2.410 C1CC1COCC2CC2 dbf85618b8cd17517ba6df3e82400bd8 [1,0,0,2,0,0|0,0,0]=3 31522 B12R1.7 C#CCCCOC1CCC(C1)C 59d880ad4b31e2241cf1ed9ccad08ebb [0,2,0,1,0,0|0,0,1]=4 31523 B12R1.7 C#CCCCOC1CCC(C1)F abc85ee2b59822a939d9fb66ba94161f [0,2,0,1,0,0|0,0,1]=4 31524 B12R1.7 C=CCCCOC1CCC(C1)C 114388b31d690708761334aadf6f9d49 [0,2,0,1,0,0|0,0,1]=4 31525 B12R1.7 C=CCCCOC1CCC(C1)F 6f5cec83357e1f984fa91821c2c50e17 [0,2,0,1,0,0|0,0,1]=4 31526 B12R1.7 CC/C=C/COC1CCC(C1)C 8e481785b4567dc3f7dd9b60b0272bd4 [0,2,0,1,0,0|0,0,1]=4 31527 B12R1.7 CC/C=C/COC1CCC(C1)F 18a0350b0333fc18b034c469755d8db5 [0,2,0,1,0,0|0,0,1]=4 31528 B12R1.7 CC1CC(CO1)OCCCCF 38cd14e943457075051f457fc825df5a [0,2,0,1,0,0|1,0,0]=4 31529 B12R1.7 CC1CC(CO1)OCCCCS 5fc7cb5baf7de2d18159d91d464e5f86 [0,2,0,1,0,0|1,0,0]=4 31530 B12R1.7 CC1CCC(C1)COCCCF 9552c06d104776451470468c4cf56b14 [0,2,0,1,0,0|1,0,0]=4 31531 B12R1.7 CC1CCC(C1)COCCCS 4191f15557e00023a68406c4e7a7d063 [0,2,0,1,0,0|1,0,0]=4 31532 B12R1.7 CC1CCC(C1)NCCCCF 9259648c1c03a78c5b928f4d1a0298ba [0,2,0,1,0,0|1,0,0]=4 31533 B12R1.7 CC1CCC(C1)NCCCCO 380ceb6918e73b8125630082e9e171ab [0,2,0,1,0,0|1,0,0]=4 31534 B12R1.7 CC1CCC(C1)OCCCC#N 9e28af44557f5a6be9784c14a6b953e6 [0,2,0,1,0,0|0,0,1]=4 31535 B12R1.7 CC1CCC(C1)OCCCC=O 7a5bbd7727bce53223bcfbcd360c95e8 [0,2,0,1,0,0|0,0,1]=4 31536 B12R1.7 CC1CCC(C1)OCCCCF d06ca95d255780cfff4a59f06a54d06d [0,2,0,1,0,0|0,0,0]=3 31537 B12R1.7 CC1CCC(O1)COCCCF 53e51a8120e05a55528ad939a14b2ef3 [0,2,0,1,0,0|1,0,0]=4 31538 B12R1.7 CC1CCC(O1)COCCCS 8f07f8c7ff27c7cbf9b0b929da9e4454 [0,2,0,1,0,0|1,0,0]=4 31539 B12R1.7 CC1CCN(C1)CCCCCF 6cb61e0a9eefe02c56db45b3d1bba3ae [0,2,0,1,0,0|1,0,0]=4 31540 B12R1.7 CC1CCN(C1)CCCCCO 954d611c4a8b5ee66f0452058a6d8835 [0,2,0,1,0,0|1,0,0]=4 31541 B12R1.7 CCC#CCOC1CCC(C1)C ca2c7bfbb36b1fb5f7d675db66dd5d88 [0,2,0,1,0,0|0,0,1]=4 31542 B12R1.7 CCCCCCN1CCC(C1)C 156e77e77d3b702085e568f84a08f0f2 [0,2,0,1,0,0|1,0,0]=4 31543 B12R1.7 CCCCCCN1CCC(C1)F 66b2181e2f67ef35caf2a6156defc2d0 [0,2,0,1,0,0|1,0,0]=4 31544 B12R1.7 CCCCCCN1CCC(C1)O 86c753040dfc7917e893490f7d84fe7f [0,2,0,1,0,0|1,0,0]=4 31545 B12R1.7 CCCCCCN1CC[C@@H](C1)F 006bb41d107a76ff03f5e8e1352bde5f [0,2,0,1,0,0|1,0,0]=4 31546 B12R1.7 CCCCCCN1CC[C@@H](C1)O 493e40a4a7df830477e6025cdef1280f [0,2,0,1,0,0|1,0,0]=4 31547 B12R1.7 CCCCCCN1CC[C@H](C1)F edd954e4e1b41cf98c8e9e8df9e5c571 [0,2,0,1,0,0|1,0,0]=4 31548 B12R1.7 CCCCCCN1CC[C@H](C1)O 49ac07a6d4400e297d4f5cd35d17cfb5 [0,2,0,1,0,0|1,0,0]=4 31549 B12R1.7 CCCCCNC1CCC(C1)C 03368cfee882e33bb659a9619eb3bc9f [0,2,0,1,0,0|1,0,0]=4 31550 B12R1.7 CCCCCNC1CCC(C1)O c99be5e8b6181f7e8736df3a0532aa6b [0,2,0,1,0,0|1,0,0]=4 31551 B12R1.7 CCCCCNC1CCN(C1)C e53c72b7adfcbcf4092c0e830fbdf632 [0,2,0,1,0,0|1,0,0]=4 31552 B12R1.7 CCCCCNC1COC(C1)C 8cb0363a4a2ee251634e7e98482d1386 [0,2,0,1,0,0|1,0,0]=4 31553 B12R1.7 CCCCCN[C@@H]1CCN(C1)C 64cd7a6c52e084110eafa454221644f2 [0,2,0,1,0,0|1,0,0]=4 31554 B12R1.7 CCCCCN[C@@H]1CC[C@@H](C1)O 40f486cf2ce31abefefc181b583d9543 [0,2,0,1,0,0|1,0,0]=4 31555 B12R1.7 CCCCCN[C@@H]1CC[C@H](C1)O f347600a436df9a0638a2d71625e4706 [0,2,0,1,0,0|1,0,0]=4 31556 B12R1.7 CCCCCN[C@H]1CCN(C1)C f1dd0f5d5cd49e0e1cb0a8823a4702e1 [0,2,0,1,0,0|1,0,0]=4 31557 B12R1.7 CCCCCN[C@H]1CC[C@@H](C1)O f34575264ea99989dc0cbb5c114929d7 [0,2,0,1,0,0|1,0,0]=4 31558 B12R1.7 CCCCCN[C@H]1CC[C@H](C1)O 7c3b4f47eaf0df74e35f6f0d351f9ef8 [0,2,0,1,0,0|1,0,0]=4 31559 B12R1.7 CCCCCOC1CCC(=O)C1 49023c98b372362affe65588ab23acd0 [0,2,0,1,0,0|0,0,0]=3 31560 B12R1.7 CCCCCOC1CCC(C1)C 4fda610aa55777b757bf7dba67c6b42d [0,2,0,1,0,0|0,0,0]=3 31561 B12R1.7 CCCCCOC1CCC(C1)F 0a872e47e30625f90f3aadc025aaf199 [0,2,0,1,0,0|0,0,0]=3 31562 B12R1.7 CCCCCOC1CCN(C1)C 433eb97dd72dc213f76dbcc9fa271faa [0,2,0,1,0,0|0,0,0]=3 31563 B12R1.7 CCCCCOC1CNC(=O)C1 82588780dd18c03858ec5a8259d071de [0,2,0,1,0,0|0,0,1]=4 31564 B12R1.7 CCCCCOC1COC(=O)C1 418ea627e4ea48a93b6eee1811a01b00 [0,2,0,1,0,0|0,0,1]=4 31565 B12R1.7 CCCCCOC1COC(C1)C 72cf34322e8028e3a6723a10c3134a41 [0,2,0,1,0,0|0,0,0]=3 31566 B12R1.7 CCCCCO[C@@H]1CCN(C1)C a11364c00420317d79ced9dbe1596aca [0,2,0,1,0,0|0,0,0]=3 31567 B12R1.7 CCCCCO[C@@H]1CNC(=O)C1 19f8f37a17c25dd16443296f0ee0dc35 [0,2,0,1,0,0|0,0,1]=4 31568 B12R1.7 CCCCCO[C@@H]1COC(=O)C1 fdbfda67f659e709976656835e7c930b [0,2,0,1,0,0|0,0,1]=4 31569 B12R1.7 CCCCCO[C@H]1CCN(C1)C 9d5c7cde8b94636be356e410647e0107 [0,2,0,1,0,0|0,0,0]=3 31570 B12R1.7 CCCCCO[C@H]1CNC(=O)C1 9f709a100f0df63b4ffbbc28db32a27c [0,2,0,1,0,0|0,0,1]=4 31571 B12R1.7 CCCCCO[C@H]1COC(=O)C1 1cf5f8f25c3f0853024d7dd13bfc4c3c [0,2,0,1,0,0|0,0,1]=4 31572 B12R1.7 CCCCNCC1CCC(C1)O 97bbeccd7445fbff58481506656f8549 [0,2,0,1,0,0|1,0,0]=4 31573 B12R1.7 CCCCNCC1CCN(C1)C 232089213ed273affab6da8c07dcbcf9 [0,2,0,1,0,0|1,0,0]=4 31574 B12R1.7 CCCCNC[C@@H]1CCN(C1)C 211105f2e70a38cc343ba8a744804af0 [0,2,0,1,0,0|1,0,0]=4 31575 B12R1.7 CCCCNC[C@H]1CCN(C1)C 8ea11b20bfee8314d997db3d8a8d5653 [0,2,0,1,0,0|1,0,0]=4 31576 B12R1.7 CCCCOCC1CCC(=O)C1 14f52ea4de436ab0d4a47fa7be44a245 [0,2,0,1,0,0|0,0,0]=3 31577 B12R1.7 CCCCOCC1CCC(=O)N1 39e7560b99137f32a9bd61a09948d047 [0,2,0,1,0,0|0,0,1]=4 31578 B12R1.7 CCCCOCC1CCC(=O)O1 548ccdd9b3c0f85ccc42c7a67107df18 [0,2,0,1,0,0|0,0,1]=4 31579 B12R1.7 CCCCOCC1CCC(C1)C 49a6aaef21064c3f2b276ae2d1ca62e2 [0,2,0,1,0,0|0,0,0]=3 31580 B12R1.7 CCCCOCC1CCC(C1)F 5457fa0bc578de1cde75f7a3b5a42ae1 [0,2,0,1,0,0|0,0,0]=3 31581 B12R1.7 CCCCOCC1CCC(O1)C b667273d555a33a45117888e522047f6 [0,2,0,1,0,0|0,0,0]=3 31582 B12R1.7 CCCCOCC1CCN(C1)C 4feb7dc40ffc615d66fc3bf1ca351593 [0,2,0,1,0,0|0,0,0]=3 31583 B12R1.7 CCCCOCC1CNC(=O)C1 fa5e1b8ac53b695203974186ebde0f1b [0,2,0,1,0,0|0,0,1]=4 31584 B12R1.7 CCCCOCC1COC(=O)C1 e8b9fbace0fdc615e8b94cb0728c24c6 [0,2,0,1,0,0|0,0,1]=4 31585 B12R1.7 CCCCOCN1CCC(C1)C 944925c5256373a08c7bb9fe1c791ca4 [0,2,0,1,0,0|0,0,0]=3 31586 B12R1.7 CCCCOCN1CCC(C1)F 1c59ea055e95540e61cf9bf7f04cf3bd [0,2,0,1,0,0|0,0,0]=3 31587 B12R1.7 CCCCOCN1CCC(C1)O 053d996fb23d0dc55e0e31444c2692d3 [0,2,0,1,0,0|0,0,0]=3 31588 B12R1.7 CCCCOCN1CCN(C1)C d852f55ddfdfaf0ea8e2dcd7d33baeba [0,2,0,1,0,0|1,0,0]=4 31589 B12R1.7 CCCCOCN1CC[C@@H](C1)F 10f6f38a8f0ec32fec2e52317de9e7c6 [0,2,0,1,0,0|0,0,0]=3 31590 B12R1.7 CCCCOCN1CC[C@@H](C1)O c4b2ea468c10683058f35b7bafa58993 [0,2,0,1,0,0|0,0,0]=3 31591 B12R1.7 CCCCOCN1CC[C@H](C1)F 219559a928ccc655c4558e9b02a8feb9 [0,2,0,1,0,0|0,0,0]=3 31592 B12R1.7 CCCCOCN1CC[C@H](C1)O 7407da6ba84d43db4ba57c869357c1f8 [0,2,0,1,0,0|0,0,0]=3 31593 B12R1.7 CCCCOC[C@@H]1CCC(=O)C1 3c3f16d87259e6feaf8aeac7655f11e9 [0,2,0,1,0,0|0,0,0]=3 31594 B12R1.7 CCCCOC[C@@H]1CCC(=O)N1 e592b7247588731ad337c7b110016f13 [0,2,0,1,0,0|0,0,1]=4 31595 B12R1.7 CCCCOC[C@@H]1CCC(=O)O1 958d143e3b3dfa027226aeedee209e8b [0,2,0,1,0,0|0,0,1]=4 31596 B12R1.7 CCCCOC[C@@H]1CCN(C1)C 1920fbd5be8d741ea7f1d23006b9f332 [0,2,0,1,0,0|0,0,0]=3 31597 B12R1.7 CCCCOC[C@@H]1CC[C@@H](O1)C c141957d8a4a09d91655a7bd9e1ddb9e [0,2,0,1,0,0|0,0,0]=3 31598 B12R1.7 CCCCOC[C@@H]1CC[C@H](C1)F 652ff9ccf1104b7e1bef71e4cd15b55a [0,2,0,1,0,0|0,0,0]=3 31599 B12R1.7 CCCCOC[C@@H]1CNC(=O)C1 d816a5ca005e32544cea289946df6cf1 [0,2,0,1,0,0|0,0,1]=4 31600 B12R1.7 CCCCOC[C@H]1CCC(=O)N1 5924c53cf1b21d892e35e06e39e80649 [0,2,0,1,0,0|0,0,1]=4 31601 B12R1.7 CCCCOC[C@H]1CCC(=O)O1 6e8fd0561526e2bd363323f98b7a38f0 [0,2,0,1,0,0|0,0,1]=4 31602 B12R1.7 CCCCOC[C@H]1CCN(C1)C 649bc83c2088cd7e2495f6abbeae2dd9 [0,2,0,1,0,0|0,0,0]=3 31603 B12R1.7 CCCCOC[C@H]1CC[C@H](C1)F 3465e3f1c32c4fe28dec18b5a7453a17 [0,2,0,1,0,0|0,0,0]=3 31604 B12R1.7 CCCCOC[C@H]1CNC(=O)C1 07f346a9db2a2faa87e8f10de5adc130 [0,2,0,1,0,0|0,0,1]=4 31605 B12R1.7 CCCNCCN1CCC(C1)F 3db3b80da745b002dbfe2a51bb5570cf [0,2,0,1,0,0|1,0,0]=4 31606 B12R1.7 CCCNCCN1CCC(C1)O 4a75f0a06649111b471d7d63cad9c3ba [0,2,0,1,0,0|1,0,0]=4 31607 B12R1.7 CCCNCCN1CC[C@@H](C1)F d8d4ad8b77789f2b37c11a6a4b251671 [0,2,0,1,0,0|1,0,0]=4 31608 B12R1.7 CCCNCCN1CC[C@@H](C1)O 7e1ab8a8bcfe5831b3087c72b564f17d [0,2,0,1,0,0|1,0,0]=4 31609 B12R1.7 CCCNCCN1CC[C@H](C1)F 60ffa15412636e09e20c431103bde47e [0,2,0,1,0,0|1,0,0]=4 31610 B12R1.7 CCCOCCN1CCC(C1)C 3a88fd8d895ff4bb090d320739a7ec64 [0,2,0,1,0,0|1,0,0]=4 31611 B12R1.7 CCCOCCN1CCC(C1)F d6241e1c9139fe18e86c19efb593fa9b [0,2,0,1,0,0|1,0,0]=4 31612 B12R1.7 CCCOCCN1CCC(C1)O d9284c8a087066f6ae64bfe76e8ba971 [0,2,0,1,0,0|1,0,0]=4 31613 B12R1.7 CCCOCCN1CC[C@@H](C1)F 0d0e379315f93447f8aad8193c58bff5 [0,2,0,1,0,0|1,0,0]=4 31614 B12R1.7 CCCOCCN1CC[C@@H](C1)O 8b8bb5269348b64d393cb6330ca9386d [0,2,0,1,0,0|1,0,0]=4 31615 B12R1.7 CCCOCCN1CC[C@H](C1)F 6a71eb92fc92964248e295a111bd6b24 [0,2,0,1,0,0|1,0,0]=4 31616 B12R1.7 CCCOCCN1CC[C@H](C1)O 068fce9eb243e2a1f5cd82bafe76b62a [0,2,0,1,0,0|1,0,0]=4 31617 B12R1.7 CCNCCCN1CC[C@@H](C1)F 560b82d43e967a4610929e9c291ace93 [0,2,0,1,0,0|1,0,0]=4 31618 B12R1.7 CCNCCCN1CC[C@H](C1)F dddf0f1037cd50f0394bfe1417171619 [0,2,0,1,0,0|1,0,0]=4 31619 B12R1.7 CCOCCCC1CCC(C1)C f44d60a97ba3c343402be7db5a456d7f [0,2,0,1,0,0|1,0,0]=4 31620 B12R1.7 CCOCCCN1CCC(C1)C b79537489fb57207ace4f597e49ce485 [0,2,0,1,0,0|1,0,0]=4 31621 B12R1.7 CCOCCCN1CCC(C1)F 85cb7e9342c3f1fa886e4980095bcced [0,2,0,1,0,0|1,0,0]=4 31622 B12R1.7 CCOCCCN1CCC(C1)O ebf471dee721976edb99fea6a4dc4b73 [0,2,0,1,0,0|1,0,0]=4 31623 B12R1.7 CCOCCCN1CC[C@@H](C1)F 4842e3ef7acbf283277090f6912191cd [0,2,0,1,0,0|1,0,0]=4 31624 B12R1.7 CCOCCCN1CC[C@@H](C1)O 2d78894f43d76de1607caf2f8de90041 [0,2,0,1,0,0|1,0,0]=4 31625 B12R1.7 CCOCCCN1CC[C@H](C1)F 8549f4090deb2ecb7828b4b5f8fd5dde [0,2,0,1,0,0|1,0,0]=4 31626 B12R1.7 CCOCCCN1CC[C@H](C1)O 1201ffaad9fb925a3733f9dbcc9b596f [0,2,0,1,0,0|1,0,0]=4 31627 B12R1.7 CCOCCNC1CCC(C1)C 0b39dba795baaf66c0a9fefae8e9af13 [0,2,0,1,0,0|1,0,0]=4 31628 B12R1.7 CCOCCNC1CCC(C1)O e1fced51e0e3ae9313a233846ae4ab58 [0,2,0,1,0,0|1,0,0]=4 31629 B12R1.7 CCOCCN[C@@H]1CC[C@@H](C1)O d7bdffff330941e675f450971fca8dcb [0,2,0,1,0,0|1,0,0]=4 31630 B12R1.7 CCOCCN[C@@H]1CC[C@H](C1)O 1f012ad3ec78fd9c01266d02ee933159 [0,2,0,1,0,0|1,0,0]=4 31631 B12R1.7 CCOCCN[C@H]1CC[C@@H](C1)O b1d0f839e76a2917786a347950fd0b28 [0,2,0,1,0,0|1,0,0]=4 31632 B12R1.7 CCOCCN[C@H]1CC[C@H](C1)O 128f912e097b1a2d6711a1377fb381f8 [0,2,0,1,0,0|1,0,0]=4 31633 B12R1.7 CCOCCOC1CCC(=O)C1 1d00ecf291a67197715673ad2ac7f899 [0,2,0,1,0,0|0,0,1]=4 31634 B12R1.7 CCOCCOC1CCC(C1)C 7d35a8a89397aeef560ed82d90bb70e5 [0,2,0,1,0,0|0,0,0]=3 31635 B12R1.7 CCOCCOC1CCC(C1)F 178263e7f9a0b53abe5688ea34327ede [0,2,0,1,0,0|0,0,0]=3 31636 B12R1.7 CCOCCOC1CCN(C1)C cec058e637b0a2ea91937c404cc512a8 [0,2,0,1,0,0|1,0,0]=4 31637 B12R1.7 CCOCCOC1COC(C1)C ccb011500d902c4fddf02ba31bfddfa7 [0,2,0,1,0,0|1,0,0]=4 31638 B12R1.7 CCOCCO[C@@H]1CCN(C1)C bc257af4e4974c41252cbf1d07a51d65 [0,2,0,1,0,0|1,0,0]=4 31639 B12R1.7 CCOCCO[C@H]1CCN(C1)C 2e387087fed052752869e7d255ccc8bb [0,2,0,1,0,0|1,0,0]=4 31640 B12R1.7 CCOCOCC1CCC(=O)C1 78b1eede2bf1c7d6849072d62b4996cd [0,2,0,1,0,0|1,0,0]=4 31641 B12R1.7 CCOCOCC1CCC(C1)C e77ef6e764c28f0a4fb095f068c40842 [0,2,0,1,0,0|1,0,0]=4 31642 B12R1.7 CCOCOCC1CCC(C1)F 0e98da622cf93351aaac92de7b3de659 [0,2,0,1,0,0|1,0,0]=4 31643 B12R1.7 CCOCOCC1CCC(O1)C 3b689d7d18a8a16cb89fdacf84734c83 [0,2,0,1,0,0|1,0,0]=4 31644 B12R1.7 CCOCOCC1CCN(C1)C 7d3b59d3785d68a1bb8ac91ed634e9a6 [0,2,0,1,0,0|1,0,0]=4 31645 B12R1.7 CCOCOC[C@@H]1CCC(=O)C1 7281fb1cc9db8383afb48e66b7c2d7be [0,2,0,1,0,0|1,0,0]=4 31646 B12R1.7 CCOCOC[C@@H]1CCN(C1)C 5e52ccdf3c98040b72623766cb97c843 [0,2,0,1,0,0|1,0,0]=4 31647 B12R1.7 CCOCOC[C@@H]1CC[C@@H](O1)C 2f38c9bf5b0466b636c46709a02df21c [0,2,0,1,0,0|1,0,0]=4 31648 B12R1.7 CCOCOC[C@@H]1CC[C@H](C1)F de9210eb6360d90b050c645758c517dd [0,2,0,1,0,0|1,0,0]=4 31649 B12R1.7 CCOCOC[C@H]1CCN(C1)C c82e1a2a02b31d18a58c7102561bef88 [0,2,0,1,0,0|1,0,0]=4 31650 B12R1.7 CCOCOC[C@H]1CC[C@H](C1)F 59429578b6dc4cc966fb343b09cc16d7 [0,2,0,1,0,0|1,0,0]=4 31651 B12R1.7 CCSCCCN1CCC(C1)C 977ba81abc67c06e204d4fbeb418473a [0,2,0,1,0,0|1,0,0]=4 31652 B12R1.7 CCSCCCN1CCC(C1)F fa9b7bbb2e6ecbb9e76dc7cdfc87ac03 [0,2,0,1,0,0|1,0,0]=4 31653 B12R1.7 CCSCCCN1CCC(C1)O b4616a1e30386ef327840e2aa9ff1999 [0,2,0,1,0,0|1,0,0]=4 31654 B12R1.7 CCSCCCN1CC[C@@H](C1)F 584dd58cbaaf43a951b23f6852c496f4 [0,2,0,1,0,0|1,0,0]=4 31655 B12R1.7 CCSCCCN1CC[C@@H](C1)O 59cb47b5f556fa0506e1c757c09b7d88 [0,2,0,1,0,0|1,0,0]=4 31656 B12R1.7 CCSCCCN1CC[C@H](C1)F 76c4c7655d73018c7a43a381c34760ad [0,2,0,1,0,0|1,0,0]=4 31657 B12R1.7 CCSCCCN1CC[C@H](C1)O bb834e2a41c29642bdf80392b0b03fe2 [0,2,0,1,0,0|1,0,0]=4 31658 B12R1.7 CCSCCNC1CCC(C1)C 7addd59ef456809ba0e22b031319f19d [0,2,0,1,0,0|1,0,0]=4 31659 B12R1.7 CCSCCNC1CCC(C1)O ce36c9b2972ca3a0f3fef38b0933c3aa [0,2,0,1,0,0|1,0,0]=4 31660 B12R1.7 CCSCCN[C@@H]1CC[C@@H](C1)O 9d534369f6e8fe9e571cba07826a3212 [0,2,0,1,0,0|1,0,0]=4 31661 B12R1.7 CCSCCN[C@@H]1CC[C@H](C1)O 0a8288b524fb7d0ead5334b208f54cd8 [0,2,0,1,0,0|1,0,0]=4 31662 B12R1.7 CCSCCN[C@H]1CC[C@@H](C1)O 1087dc94c568e61aec3060abbbe72521 [0,2,0,1,0,0|1,0,0]=4 31663 B12R1.7 CCSCCN[C@H]1CC[C@H](C1)O d74864e1d07e8906328e46eef579f54a [0,2,0,1,0,0|1,0,0]=4 31664 B12R1.7 CCSCCOC1CCC(C1)C 9e48ba1fc312d91b6c9ea90aa33e1e30 [0,2,0,1,0,0|0,0,0]=3 31665 B12R1.7 CCSCCOC1CCC(C1)F 7262bfa71d136e7be7534a6b8d2a7bb0 [0,2,0,1,0,0|0,0,0]=3 31666 B12R1.7 CCSCCOC1CCN(C1)C b0c619311db2e2f7b1006a11babeaba9 [0,2,0,1,0,0|1,0,0]=4 31667 B12R1.7 CCSCCOC1COC(C1)C 7c8270146f93592c310b1d70f0770786 [0,2,0,1,0,0|1,0,0]=4 31668 B12R1.7 CCSCCO[C@@H]1CCN(C1)C dac98e1085a1fa53ee812ab067789054 [0,2,0,1,0,0|1,0,0]=4 31669 B12R1.7 CCSCCO[C@H]1CCN(C1)C 3b9d7ee741ada6123300edfd6b85321f [0,2,0,1,0,0|1,0,0]=4 31670 B12R1.7 CN1CCC(C1)COCCCF 32b86059e56f5d87be007f75b4f2fd8a [0,2,0,1,0,0|1,0,0]=4 31671 B12R1.7 CN1CCC(C1)COCCCS 4601f4f8671f60115a87680041ef368b [0,2,0,1,0,0|1,0,0]=4 31672 B12R1.7 CN1CCC(C1)OCCCCF 94f8211f4cb1088d58ae5e6e782d202c [0,2,0,1,0,0|1,0,0]=4 31673 B12R1.7 CN1CCC(C1)OCCCCS 9cd166dbff35fc1a032604f3444d33e3 [0,2,0,1,0,0|1,0,0]=4 31674 B12R1.7 CN1CC[C@@H](C1)COCCCF e7033db076b7ff2ff2d6a3b6bc96d44d [0,2,0,1,0,0|1,0,0]=4 31675 B12R1.7 CN1CC[C@@H](C1)COCCCS d4a94a5da7c3c07bf54fec6c7cf31039 [0,2,0,1,0,0|1,0,0]=4 31676 B12R1.7 CN1CC[C@@H](C1)OCCCCF 888e40b50352a44a576fb489e79a3b96 [0,2,0,1,0,0|1,0,0]=4 31677 B12R1.7 CN1CC[C@@H](C1)OCCCCS 39f1faeba7195c4fbdfe6d86b0f4252e [0,2,0,1,0,0|1,0,0]=4 31678 B12R1.7 CN1CC[C@H](C1)COCCCF ce924599e17b62307f48bbebe52ab895 [0,2,0,1,0,0|1,0,0]=4 31679 B12R1.7 CN1CC[C@H](C1)COCCCS 7b3e9578c713277981128cba57439a06 [0,2,0,1,0,0|1,0,0]=4 31680 B12R1.7 CN1CC[C@H](C1)OCCCCF 6447a9e710b961a75c8cafae5e2796e2 [0,2,0,1,0,0|1,0,0]=4 31681 B12R1.7 CN1CC[C@H](C1)OCCCCS 977a8f7345063f5c25aef66402139cff [0,2,0,1,0,0|1,0,0]=4 31682 B12R1.7 COCCCCN1CCC(C1)C 695898032e0fdd5fd6c0d6f998ea0b00 [0,2,0,1,0,0|1,0,0]=4 31683 B12R1.7 COCCCCN1CCC(C1)F f2e02ead5289c710bbe849db29a1db9e [0,2,0,1,0,0|1,0,0]=4 31684 B12R1.7 COCCCCN1CCC(C1)O 88dd253172bc000b01e84af5e8aaf9c6 [0,2,0,1,0,0|1,0,0]=4 31685 B12R1.7 COCCCCN1CC[C@@H](C1)F 99e9a5c2b8b406cab88b5f7b118a21cc [0,2,0,1,0,0|1,0,0]=4 31686 B12R1.7 COCCCCN1CC[C@@H](C1)O 2a551c3cb473dacac7e944026f939e33 [0,2,0,1,0,0|1,0,0]=4 31687 B12R1.7 COCCCCN1CC[C@H](C1)F 6443622423ff2afa66ed53f547398421 [0,2,0,1,0,0|1,0,0]=4 31688 B12R1.7 COCCCCN1CC[C@H](C1)O 10e0b2fe6ae37a2c61cd4698a9f75a93 [0,2,0,1,0,0|1,0,0]=4 31689 B12R1.7 COCCCNC1CCC(C1)C 343068f92a239ed6cff84e7e32bd0947 [0,2,0,1,0,0|1,0,0]=4 31690 B12R1.7 COCCCNC1CCC(C1)O 11a1339ea25698d3428ca3a68c4ebe01 [0,2,0,1,0,0|1,0,0]=4 31691 B12R1.7 COCCCN[C@@H]1CC[C@@H](C1)O c907173e76ac6b1b534954114c9695bb [0,2,0,1,0,0|1,0,0]=4 31692 B12R1.7 COCCCN[C@@H]1CC[C@H](C1)O c2f50bdc6a48ffb3cf4b0a55593185b9 [0,2,0,1,0,0|1,0,0]=4 31693 B12R1.7 COCCCN[C@H]1CC[C@@H](C1)O 4293e0e6b6164d9ab5b923a9bd1a3122 [0,2,0,1,0,0|1,0,0]=4 31694 B12R1.7 COCCCN[C@H]1CC[C@H](C1)O 64a03ec0fe72e9ae6d8956ee1d0db14e [0,2,0,1,0,0|1,0,0]=4 31695 B12R1.7 COCCCOC1CCC(=O)C1 24ca7b19cc075643e5e947608204b854 [0,2,0,1,0,0|0,0,1]=4 31696 B12R1.7 COCCCOC1CCC(C1)C 242b53125106c0c715c96c45b03b9d15 [0,2,0,1,0,0|0,0,0]=3 31697 B12R1.7 COCCCOC1CCC(C1)F 556dd750367c45e27a4cc9069fcf49eb [0,2,0,1,0,0|0,0,0]=3 31698 B12R1.7 COCCCOC1CCN(C1)C 256350946f170d0352cb0f6d35de8f19 [0,2,0,1,0,0|1,0,0]=4 31699 B12R1.7 COCCCOC1COC(C1)C d0c0743c027a5508c6e01ea54dc63284 [0,2,0,1,0,0|1,0,0]=4 31700 B12R1.7 COCCCO[C@@H]1CCN(C1)C 263fc63eeb363a61f4ee96ad623895a7 [0,2,0,1,0,0|1,0,0]=4 31701 B12R1.7 COCCCO[C@H]1CCN(C1)C 3ec723dc393636e52dcfe5f1ba58125b [0,2,0,1,0,0|1,0,0]=4 31702 B12R1.7 COCCOCC1CCC(=O)C1 f819a7aada83d0100d9b104e161be306 [0,2,0,1,0,0|1,0,0]=4 31703 B12R1.7 COCCOCC1CCC(C1)C 93d0216f3c8717c2428a166c83d6f649 [0,2,0,1,0,0|1,0,0]=4 31704 B12R1.7 COCCOCC1CCC(C1)F 1403cfca9bf9c0dbe43b99a206461367 [0,2,0,1,0,0|1,0,0]=4 31705 B12R1.7 COCCOCC1CCC(O1)C 31c27cf758e55e9b7e414d06200ab86c [0,2,0,1,0,0|1,0,0]=4 31706 B12R1.7 COCCOCC1CCN(C1)C 93f0cc2bb9cddd747b571de7bd2c8419 [0,2,0,1,0,0|1,0,0]=4 31707 B12R1.7 COCCOCN1CCC(C1)C f27955e7cc080f6cf69471f5b53cd98e [0,2,0,1,0,0|1,0,0]=4 31708 B12R1.7 COCCOCN1CCC(C1)F 41f22719c9b4168da99c5f68b4b0f0e1 [0,2,0,1,0,0|1,0,0]=4 31709 B12R1.7 COCCOCN1CCC(C1)O b84bf0214b5bee8702edfe460a46b4a7 [0,2,0,1,0,0|1,0,0]=4 31710 B12R1.7 COCCOCN1CC[C@@H](C1)F 748a753a3305951e55a2898235508d4a [0,2,0,1,0,0|1,0,0]=4 31711 B12R1.7 COCCOCN1CC[C@@H](C1)O 16a507b2963be058328f335ecca40800 [0,2,0,1,0,0|1,0,0]=4 31712 B12R1.7 COCCOCN1CC[C@H](C1)F f80382c959d7bbc0b7a71170e8873b4d [0,2,0,1,0,0|1,0,0]=4 31713 B12R1.7 COCCOCN1CC[C@H](C1)O 65c5153d706d4926fccf2d452ea97fc7 [0,2,0,1,0,0|1,0,0]=4 31714 B12R1.7 COCCOC[C@@H]1CCC(=O)C1 c1b11988dc9c22b561791874ae015a4e [0,2,0,1,0,0|1,0,0]=4 31715 B12R1.7 COCCOC[C@@H]1CCN(C1)C ac04820d1acbcd811470d6c373415dd9 [0,2,0,1,0,0|1,0,0]=4 31716 B12R1.7 COCCOC[C@@H]1CC[C@@H](O1)C d6e88914ac4672c2bf61a9b8db3a8b33 [0,2,0,1,0,0|1,0,0]=4 31717 B12R1.7 COCCOC[C@@H]1CC[C@H](C1)F 1ed26b46c5534736d4041e700a70c92a [0,2,0,1,0,0|1,0,0]=4 31718 B12R1.7 COCCOC[C@H]1CCN(C1)C d1f256e1f573338bb796b95331c7558b [0,2,0,1,0,0|1,0,0]=4 31719 B12R1.7 COCCOC[C@H]1CC[C@H](C1)F d03c96bddcd64d2a76f7aefe98463b79 [0,2,0,1,0,0|1,0,0]=4 31720 B12R1.7 CSCCCNC1CCC(C1)C 2639b226e9f73a12d6c2544bfcccba9a [0,2,0,1,0,0|1,0,0]=4 31721 B12R1.7 CSCCCNC1CCC(C1)O c639149d00b5a2b9b2254dbc22f9e1bd [0,2,0,1,0,0|1,0,0]=4 31722 B12R1.7 CSCCCN[C@@H]1CC[C@@H](C1)O 2fa3e89c3dcf20ef52ba65d71e0f5b9b [0,2,0,1,0,0|1,0,0]=4 31723 B12R1.7 CSCCCN[C@@H]1CC[C@H](C1)O d5a90d9636ed93ff6ca604d54af896fc [0,2,0,1,0,0|1,0,0]=4 31724 B12R1.7 CSCCCN[C@H]1CC[C@@H](C1)O f79f6e19e85871945f70185cf8eec67a [0,2,0,1,0,0|1,0,0]=4 31725 B12R1.7 CSCCCN[C@H]1CC[C@H](C1)O 339608a93f45e708797737f128b96b08 [0,2,0,1,0,0|1,0,0]=4 31726 B12R1.7 CSCCCOC1CCC(=O)C1 fb8b0c6e9364cd0f1be43f1abfc66c0c [0,2,0,1,0,0|0,0,1]=4 31727 B12R1.7 CSCCCOC1CCC(C1)C d790180c27da4d12ef5c737ba6838113 [0,2,0,1,0,0|0,0,0]=3 31728 B12R1.7 CSCCCOC1CCC(C1)F a4c8e71404ff0bcd744d80dc4ecbe9d8 [0,2,0,1,0,0|0,0,0]=3 31729 B12R1.7 CSCCCOC1CCN(C1)C 2f99e1e578106b86efc0f41ac2f292a3 [0,2,0,1,0,0|1,0,0]=4 31730 B12R1.7 CSCCCOC1COC(C1)C ef5c226019c642f732eae5ea34334a3c [0,2,0,1,0,0|1,0,0]=4 31731 B12R1.7 CSCCCO[C@@H]1CCN(C1)C 4db70b7ffb66c8d0a4919ead33d53a2f [0,2,0,1,0,0|1,0,0]=4 31732 B12R1.7 CSCCCO[C@H]1CCN(C1)C 6de92c5c6a08c943c7da00b552ea45c7 [0,2,0,1,0,0|1,0,0]=4 31733 B12R1.7 CSCCOCC1CCC(=O)C1 f658fb0d475e7d08676062e9c49a13b2 [0,2,0,1,0,0|1,0,0]=4 31734 B12R1.7 CSCCOCC1CCC(C1)C 1362595a3c4851b36ad5c47777a3c524 [0,2,0,1,0,0|1,0,0]=4 31735 B12R1.7 CSCCOCC1CCC(C1)F cb26feda39c8161c588e6af8c1785492 [0,2,0,1,0,0|1,0,0]=4 31736 B12R1.7 CSCCOCC1CCC(O1)C 17eace085a8f5dfb68f22c704fef368c [0,2,0,1,0,0|1,0,0]=4 31737 B12R1.7 CSCCOCC1CCN(C1)C e15e80a921142c1756dda6faca98035a [0,2,0,1,0,0|1,0,0]=4 31738 B12R1.7 CSCCOC[C@@H]1CCC(=O)C1 70f23763a4cd054c1a200722756f5fdf [0,2,0,1,0,0|1,0,0]=4 31739 B12R1.7 CSCCOC[C@@H]1CCN(C1)C 83497c1a66db6f3d021ac5037da3c357 [0,2,0,1,0,0|1,0,0]=4 31740 B12R1.7 CSCCOC[C@@H]1CC[C@@H](O1)C 744801813ba07f2a9a41c33fff4a72b5 [0,2,0,1,0,0|1,0,0]=4 31741 B12R1.7 CSCCOC[C@@H]1CC[C@H](C1)F 92550624de899bbae5793bae36d2207f [0,2,0,1,0,0|1,0,0]=4 31742 B12R1.7 CSCCOC[C@H]1CCN(C1)C dbb5c4a17ad181b63b361614ea977b39 [0,2,0,1,0,0|1,0,0]=4 31743 B12R1.7 CSCCOC[C@H]1CC[C@H](C1)F 8ae17201656069a3893636fb73472f3b [0,2,0,1,0,0|1,0,0]=4 31744 B12R1.7 C[C@H]1CC[C@H](O1)COCCCF a639f79fb5105ee336139919f0e03e7b [0,2,0,1,0,0|1,0,0]=4 31745 B12R1.7 C[C@H]1CC[C@H](O1)COCCCS f653aa3d28ce91a3e18269f12a688164 [0,2,0,1,0,0|1,0,0]=4 31746 B12R1.7 FC1CCC(C1)COCCCS 9a3ad21a152c0b4bb96a31f0f1aca8c2 [0,2,0,1,0,0|1,0,0]=4 31747 B12R1.7 FCCCCCN1CCC(C1)F ca835b29e6ef263757df2148264c983c [0,2,0,1,0,0|1,0,0]=4 31748 B12R1.7 FCCCCCN1CC[C@@H](C1)F 65c26f93a198a21e01d2cc756677ff49 [0,2,0,1,0,0|1,0,0]=4 31749 B12R1.7 FCCCCCN1CC[C@H](C1)F ec6cb999f2e78749288267c13a1a17ec [0,2,0,1,0,0|1,0,0]=4 31750 B12R1.7 FCCCCOC1CCC(C1)F c7b2a4a16cdcb6b8cd162ef880b688d4 [0,2,0,1,0,0|0,0,0]=3 31751 B12R1.7 FCCCOCC1CCC(C1)F 6f1149a6c3234ce2774d8893a951d1bd [0,2,0,1,0,0|1,0,0]=4 31752 B12R1.7 FCCCOC[C@@H]1CC[C@H](C1)F 2fd51f2766e23928760f57d9df46d328 [0,2,0,1,0,0|1,0,0]=4 31753 B12R1.7 FCCCOC[C@H]1CC[C@H](C1)F 04853017238364aa59b2f8d93a7a127d [0,2,0,1,0,0|1,0,0]=4 31754 B12R1.7 F[C@@H]1CC[C@@H](C1)COCCCS 45debf3ecd4878d2d235848228b72944 [0,2,0,1,0,0|1,0,0]=4 31755 B12R1.7 F[C@@H]1CC[C@H](C1)COCCCS 7ec496efc583cceb0ed665461946e84a [0,2,0,1,0,0|1,0,0]=4 31756 B12R1.7 N#CCCCOC1CCC(C1)F e79e19c8867246641c4e64f2c87e18b6 [0,2,0,1,0,0|0,0,1]=4 31757 B12R1.7 O=C1CCC(C1)COCCCF 16848afb2f902f2a7d515c8434696bf7 [0,2,0,1,0,0|1,0,0]=4 31758 B12R1.7 O=C1CCC(C1)COCCCS 03f90d8b0fb6ba4704dbce888832f5d8 [0,2,0,1,0,0|1,0,0]=4 31759 B12R1.7 O=C1CCC(C1)OCCCCF 036dd7fde83bee07f93e9bf455a96e3d [0,2,0,1,0,0|0,0,1]=4 31760 B12R1.7 O=C1CC[C@H](C1)COCCCF f89098608e4483fd33b5d7945bf4faac [0,2,0,1,0,0|1,0,0]=4 31761 B12R1.7 O=C1CC[C@H](C1)COCCCS 827d2258654d22fe445249c22a65ee0d [0,2,0,1,0,0|1,0,0]=4 31762 B12R1.7 O=CCCCOC1CCC(C1)F e90ae69397d5b43375f7537451e3c69d [0,2,0,1,0,0|0,0,1]=4 31763 B12R1.7 OC1CCC(C1)NCCCCF 00e790077cd5a632e5f58130186e7346 [0,2,0,1,0,0|1,0,0]=4 31764 B12R1.7 OC1CCN(C1)CCCCCF a29262244aa5a37ab9abce3030fd6ed2 [0,2,0,1,0,0|1,0,0]=4 31765 B12R1.7 OCCCCCN1CCC(C1)F a2f9e04c334174587d580b2d4d540e7e [0,2,0,1,0,0|1,0,0]=4 31766 B12R1.7 OCCCCCN1CCC(C1)O ef0917b7c70a8354489cd9773d8b7697 [0,2,0,1,0,0|1,0,0]=4 31767 B12R1.7 OCCCCCN1CC[C@@H](C1)F b8370f6cd2fadf1927a03d699de1c284 [0,2,0,1,0,0|1,0,0]=4 31768 B12R1.7 OCCCCCN1CC[C@@H](C1)O 73075ffd38b4d5c8e831db6b7a7d70ef [0,2,0,1,0,0|1,0,0]=4 31769 B12R1.7 OCCCCCN1CC[C@H](C1)F 83436ae534085df56a4eb0572203f09b [0,2,0,1,0,0|1,0,0]=4 31770 B12R1.7 OCCCCCN1CC[C@H](C1)O 7f2c188b514ebab5701e7c8251ad4df4 [0,2,0,1,0,0|1,0,0]=4 31771 B12R1.7 OCCCCNC1CCC(C1)O e9313f37668a465397ed74951c98be13 [0,2,0,1,0,0|1,0,0]=4 31772 B12R1.7 OCCCCN[C@@H]1CC[C@@H](C1)O db634823ad21ce88fecbc1f5b506611c [0,2,0,1,0,0|1,0,0]=4 31773 B12R1.7 OCCCCN[C@@H]1CC[C@H](C1)O 1198fa992a12b2fa359f889b24b94ba2 [0,2,0,1,0,0|1,0,0]=4 31774 B12R1.7 OCCCCN[C@H]1CC[C@@H](C1)O ebb0ca6811b3d41e87037a8a12c3e3b5 [0,2,0,1,0,0|1,0,0]=4 31775 B12R1.7 OCCCCN[C@H]1CC[C@H](C1)O 87b2691c99813fff96549773466926bc [0,2,0,1,0,0|1,0,0]=4 31776 B12R1.7 O[C@@H]1CCN(C1)CCCCCF 04b6e0dc469bd99ead5bfbf7d367ce93 [0,2,0,1,0,0|1,0,0]=4 31777 B12R1.7 O[C@@H]1CC[C@@H](C1)NCCCCF a8a7963129aeb96da100c625807f98d6 [0,2,0,1,0,0|1,0,0]=4 31778 B12R1.7 O[C@@H]1CC[C@H](C1)NCCCCF 7366f66890f031fd9d82b7d90b2a124b [0,2,0,1,0,0|1,0,0]=4 31779 B12R1.7 O[C@H]1CCN(C1)CCCCCF 7fcf0c7c48e2e991d0bba06680fd76a5 [0,2,0,1,0,0|1,0,0]=4 31780 B12R1.7 O[C@H]1CC[C@@H](C1)NCCCCF b9901b2d00f1207b369f5d17d891f567 [0,2,0,1,0,0|1,0,0]=4 31781 B12R1.7 O[C@H]1CC[C@H](C1)NCCCCF cac302f9453c2f08bc08f46f8b64ee41 [0,2,0,1,0,0|1,0,0]=4 31782 B12R1.100 CCCCN1CC(CC(C1)C)C f0c03fb0f49616fae3eccefef3796716 [0,2,0,1,0,0|1,0,0]=4 31783 B12R1.100 CCCCN1CC(CC(C1)O)O 6f6bce1039c08405f4946d56d0f01961 [0,2,0,1,0,0|1,0,0]=4 31784 B12R1.100 CCCCN1C[C@@H](C[C@@H](C1)C)C 79a126b773963a7868edea0494f604ab [0,2,0,1,0,0|1,0,0]=4 31785 B12R1.100 CCCCN1C[C@@H](C[C@@H](C1)O)O c40b025163784d60738cc5314e28fb10 [0,2,0,1,0,0|1,0,0]=4 31786 B12R1.100 CCCCN1C[C@@H](C[C@H](C1)O)O 1157cea4362afc060330b921251d13c7 [0,2,0,1,0,0|1,0,0]=4 31787 B12R1.100 CCCCN1C[C@H](C[C@@H](C1)O)O 01a2857d7d2c7b536dbfef1e12c1d7af [0,2,0,1,0,0|1,0,0]=4 31788 B12R1.107 CC(C)CN(C)C1CCCCO1 d9bd7adaa3e38d60796802e6726889fc [0,2,0,1,0,0|1,0,0]=4 31789 B12R1.107 CC(O)CN(C)C1CCCCO1 bc37ed4f0cd91de84890311ae5e1b6b3 [0,2,0,1,0,0|1,0,0]=4 31790 B12R1.107 C[C@H](O)CN(C)C1CCCCO1 01aebbfcfd593544267c11bccc702252 [0,2,0,1,0,0|1,0,0]=4 31791 B12R1.142 CC(C)CC(C)OCC1CC1C 75d12ada0c148f5fa0cfc832b76babbd [0,2,0,1,0,0|0,0,0]=3 31792 B12R1.142 CC(C)CC(C)OC[C@@H]1C[C@@H]1C 4083733be262f170be77a1b63a405973 [0,2,0,1,0,0|0,0,0]=3 31793 B12R1.142 CC(C)CC(C)OC[C@@H]1C[C@@H]1F 90aacaffb59cf848ea5a38f4adbb8ea3 [0,2,0,1,0,0|1,0,0]=4 31794 B12R1.142 CC(C)CC(C)OC[C@@H]1C[C@H]1C 8e76f3306b409234e806e6d740a2dc5d [0,2,0,1,0,0|0,0,0]=3 31795 B12R1.142 CC(C)CC(C)OC[C@@H]1C[C@H]1F c29d46b30981ed3ec594c7b640fb198f [0,2,0,1,0,0|1,0,0]=4 31796 B12R1.142 CC(C)CC(C)OC[C@H]1C[C@@H]1C 62fa75544c026a32a12f41645828e344 [0,2,0,1,0,0|0,0,0]=3 31797 B12R1.142 CC(C)CC(C)OC[C@H]1C[C@@H]1F a990213a65f8f8f14ca3d2170583e170 [0,2,0,1,0,0|1,0,0]=4 31798 B12R1.142 CC(C)CC(C)OC[C@H]1C[C@H]1F 822a319690b68278fe6bdfa4c7e804ec [0,2,0,1,0,0|1,0,0]=4 31799 B12R1.144 CC(C)CC(C)N1CCCC1C faf6e1e2ada8846fa9d5d7d6e29f2f43 [0,2,0,1,0,0|1,0,0]=4 31800 B12R1.144 CC(C)CC(C)N1CCC[C@@H]1C 570e95dd8dc609efa685c0d055ac6def [0,2,0,1,0,0|1,0,0]=4 31801 B12R1.144 CC(C)CC(C)N1CCC[C@H]1C 8366087912eeaf4a8a010085be99bf6e [0,2,0,1,0,0|1,0,0]=4 31802 B12R1.152 CC(C)CC(C)N[C@@H]1CC[C@H]1C 265f4dd4e492ff12bcec36a27522c2cb [0,2,0,1,0,0|1,0,0]=4 31803 B12R1.152 CC(C)CC(C)N[C@H]1CC[C@H]1C 59b8d364371acf1d61f2ae4b36dc76fd [0,2,0,1,0,0|1,0,0]=4 31804 B12R1.152 CC(C)CC(C)OC1COC1C 099a0cf94b0d4c2a8edfce8cb98115f5 [0,2,0,1,0,0|1,0,0]=4 31805 B12R1.260 CC(C)CC(C)NC1CCCC1 d6574a89194dc71c383eb8eb6d01162a [0,2,0,1,0,0|1,0,0]=4 31806 B12R1.260 CC(C)CC(C)OC1CCCC1 7a611feb39a21277fc32e0d1cce784b4 [0,2,0,1,0,0|0,0,0]=3 31807 B12R1.260 CC(C)CC(C)OC1CCCO1 a54078b749be1f4e981fb05847e966c3 [0,2,0,1,0,0|1,0,0]=4 31808 B12R1.260 CC(C)CC(C)OC1CCOC1 5ea36a9919622fd00c93a6ede2b1569f [0,2,0,1,0,0|1,0,0]=4 31809 B12R1.260 CC(C)CC(C)OC1CCSC1 9f11cd0239290123e1034f4bac981285 [0,2,0,1,0,0|1,0,0]=4 31810 B12R1.260 CC(C)CC(C)O[C@@H]1CCOC1 51bdbfd5d26c8df1aff7e90a1dd09bf4 [0,2,0,1,0,0|1,0,0]=4 31811 B12R1.260 CC(C)CC(C)O[C@@H]1CCSC1 ef95d153a66ac3cf69639b201306b40c [0,2,0,1,0,0|1,0,0]=4 31812 B12R1.260 CC(C)CC(C)O[C@H]1CCOC1 b802930197d450ef937aaf793532ca0e [0,2,0,1,0,0|1,0,0]=4 31813 B12R1.260 CC(C)CC(C)O[C@H]1CCSC1 a22fa16c984245d208666d32025438a8 [0,2,0,1,0,0|1,0,0]=4 31814 B12R1.260 CC(C)C[C@@H](C)OC1CCCC1 b751c31fef955350835d54fe3fd5280d [0,2,0,1,0,0|0,0,0]=3 31815 B12R1.260 CC(C)C[C@@H](C)OC1CCOC1 21c1a72104de2c02c261c57561d3ffe3 [0,2,0,1,0,0|1,0,0]=4 31816 B12R1.260 CC(C)C[C@@H](C)O[C@@H]1CCOC1 028739d22f4ecc747924954f82f376cb [0,2,0,1,0,0|1,0,0]=4 31817 B12R1.260 CC(C)C[C@@H](C)O[C@H]1CCOC1 9946265f7eed3af83eb7149d7930682b [0,2,0,1,0,0|1,0,0]=4 31818 B12R1.260 CC(C)C[C@H](C)OC1CCCC1 7d6a96e2baea11a56b8df482ea041ae2 [0,2,0,1,0,0|0,0,0]=3 31819 B12R1.260 CC(C)C[C@H](C)OC1CCOC1 608012877595708d7e08ec5ebbc478ac [0,2,0,1,0,0|1,0,0]=4 31820 B12R1.260 CC(C)C[C@H](C)O[C@@H]1CCOC1 55a45057f42cabde82129ca8e8663e39 [0,2,0,1,0,0|1,0,0]=4 31821 B12R1.260 CC(C)C[C@H](C)O[C@H]1CCOC1 e7b64d7c58ac4886186d4985d5a50f67 [0,2,0,1,0,0|1,0,0]=4 31822 B12R1.260 CC(CN(C)C)OC1CCCC1 004301ccdce62eec21512720c6a27036 [0,2,0,1,0,0|1,0,0]=4 31823 B12R1.260 CC(O)CC(C)NC1CCCC1 3c4ed3032907ecb2d639239c611fe084 [0,2,0,1,0,0|1,0,0]=4 31824 B12R1.260 C[C@@H](CN(C)C)OC1CCCC1 9df606171da3270442c680c6d8ae90dd [0,2,0,1,0,0|1,0,0]=4 31825 B12R1.260 C[C@H](CN(C)C)OC1CCCC1 ca561d1f530e6892b85f454ef08a1406 [0,2,0,1,0,0|1,0,0]=4 31826 B12R1.400 CCC1CCN1C(C)CC(C)C 6c1544d57be380ef33aa671629ca5868 [0,2,0,1,0,0|1,0,0]=4 31827 B12R1.438 CCN1CCOC(C1)CC(C)C 823cbb36aac8b64d6112ec8a75de5dd1 [0,2,0,1,0,0|1,0,0]=4 31828 B12R1.456 CCCCCN1C[C@@H](C[C@@H]1C)F 0e5dde490dc782103f0dadf57d85e71f [0,2,0,1,0,0|1,0,0]=4 31829 B12R1.456 CCCCCN1C[C@@H](C[C@@H]1C)O d7deb91d5ced8aef59a7e0fddc08a365 [0,2,0,1,0,0|1,0,0]=4 31830 B12R1.456 CCCCCN1C[C@@H](C[C@H]1C)F 06d2236156c5eeb3fd6a7eebd0e16569 [0,2,0,1,0,0|1,0,0]=4 31831 B12R1.456 CCCCCN1C[C@@H](C[C@H]1C)O 1c2f9810a9f8194668cd6f2242069622 [0,2,0,1,0,0|1,0,0]=4 31832 B12R1.456 CCCCCN1C[C@H](C[C@@H]1C)F c8b66413c848f2d42c796400e11eaea3 [0,2,0,1,0,0|1,0,0]=4 31833 B12R1.456 CCCCCN1C[C@H](C[C@@H]1C)O 56d2f52aa736ab1d89ef1b083cb0d9cb [0,2,0,1,0,0|1,0,0]=4 31834 B12R1.456 CCCCCN1C[C@H](C[C@H]1C)F ab760031ad0715cbcf50108d6652c5e8 [0,2,0,1,0,0|1,0,0]=4 31835 B12R1.456 CCCCCN1C[C@H](C[C@H]1C)O d1082505b118f0470a633d143e45e9e5 [0,2,0,1,0,0|1,0,0]=4 31836 B12R1.456 CCCCOC1CC(=O)NC1C 103973547a1c1627241f3106cf8efb96 [0,2,0,1,0,0|0,0,1]=4 31837 B12R1.456 CCCCOC1OC(=O)CC1C 06715f69c09a20e4a6e8248562d47e9f [0,2,0,1,0,0|0,0,1]=4 31838 B12R1.456 CCCCO[C@@H]1CN(C[C@@H]1F)C 35f249668e0c1fa755c0087cf6eac951 [0,2,0,1,0,0|1,0,0]=4 31839 B12R1.456 CCCCO[C@H]1CC(=O)N[C@H]1C 0a33a96107d2f2fa1cd6912bee4a9cd0 [0,2,0,1,0,0|0,0,1]=4 31840 B12R1.456 CCCCO[C@H]1CN(C[C@@H]1F)C 566fff4c8c7e3d601b2a191b9d736076 [0,2,0,1,0,0|1,0,0]=4 31841 B12R1.456 CCOCCN1C[C@@H](C[C@@H]1C)F 42ab0395d6a5049b52f64f9552112a0b [0,2,0,1,0,0|1,0,0]=4 31842 B12R1.456 CCOCCN1C[C@@H](C[C@@H]1C)O c4638b4ebba9e9b2bf044fb6154c3daa [0,2,0,1,0,0|1,0,0]=4 31843 B12R1.456 CCOCCN1C[C@@H](C[C@H]1C)F 6235389565b79e8450e78a8d64217de9 [0,2,0,1,0,0|1,0,0]=4 31844 B12R1.456 CCOCCN1C[C@@H](C[C@H]1C)O 9bdee8836d2065fa73c2f481d3179fb8 [0,2,0,1,0,0|1,0,0]=4 31845 B12R1.456 CCOCCN1C[C@H](C[C@@H]1C)F 1f602ac978263706e69c7370e90789a4 [0,2,0,1,0,0|1,0,0]=4 31846 B12R1.456 CCOCCN1C[C@H](C[C@@H]1C)O e76f883b86716493ce11f1d059628fbc [0,2,0,1,0,0|1,0,0]=4 31847 B12R1.456 CCOCCN1C[C@H](C[C@H]1C)F 2d8a5b80adc33df54ebcfbc124b82750 [0,2,0,1,0,0|1,0,0]=4 31848 B12R1.456 CCOCCN1C[C@H](C[C@H]1C)O 092bfbdda41fd3421cc6be0310280c18 [0,2,0,1,0,0|1,0,0]=4 31849 B12R1.456 CCSCCN1C[C@@H](C[C@@H]1C)F b06c0296022388fe52bc27de85b45f4a [0,2,0,1,0,0|1,0,0]=4 31850 B12R1.456 CCSCCN1C[C@@H](C[C@@H]1C)O 0d15dbaaf3ab23650f19d9bc332983b5 [0,2,0,1,0,0|1,0,0]=4 31851 B12R1.456 CCSCCN1C[C@@H](C[C@H]1C)F b84195a0c917879b9c8789a023c1460d [0,2,0,1,0,0|1,0,0]=4 31852 B12R1.456 CCSCCN1C[C@@H](C[C@H]1C)O 7c5c4cdf4cbb038c539c6fbf3211a3b1 [0,2,0,1,0,0|1,0,0]=4 31853 B12R1.456 CCSCCN1C[C@H](C[C@@H]1C)F 425df8dbe05c897022444c08cdd2e7e3 [0,2,0,1,0,0|1,0,0]=4 31854 B12R1.456 CCSCCN1C[C@H](C[C@@H]1C)O a77ce1c77fadaccd6f7371d187997d0b [0,2,0,1,0,0|1,0,0]=4 31855 B12R1.456 CCSCCN1C[C@H](C[C@H]1C)F aa572c829b95bac7d5a93e4c8470f925 [0,2,0,1,0,0|1,0,0]=4 31856 B12R1.456 CCSCCN1C[C@H](C[C@H]1C)O 74c0b1b6d0a8d4d0484ef1cb7d468d43 [0,2,0,1,0,0|1,0,0]=4 31857 B12R1.456 COCCCN1C[C@@H](C[C@@H]1C)F 10a48b9e70a9f42f4dc67ac7ef2fcb84 [0,2,0,1,0,0|1,0,0]=4 31858 B12R1.456 COCCCN1C[C@@H](C[C@@H]1C)O 32d626958cf19572ad02636513e473cd [0,2,0,1,0,0|1,0,0]=4 31859 B12R1.456 COCCCN1C[C@@H](C[C@H]1C)F acb0e9b1ed2ad3914e954dc7d9951b43 [0,2,0,1,0,0|1,0,0]=4 31860 B12R1.456 COCCCN1C[C@@H](C[C@H]1C)O cfb573a4af289eeed9eca6517e10fb6a [0,2,0,1,0,0|1,0,0]=4 31861 B12R1.456 COCCCN1C[C@H](C[C@@H]1C)F f7c872aa47896e62abdf4cce23026035 [0,2,0,1,0,0|1,0,0]=4 31862 B12R1.456 COCCCN1C[C@H](C[C@@H]1C)O 2b7628ba5875ff51e35e37b838307cfa [0,2,0,1,0,0|1,0,0]=4 31863 B12R1.456 COCCCN1C[C@H](C[C@H]1C)F 60fbc8c4c00a789618bb2156e2af4738 [0,2,0,1,0,0|1,0,0]=4 31864 B12R1.456 COCCCN1C[C@H](C[C@H]1C)O ef03b8726c553e6d52ba3ab2afd32351 [0,2,0,1,0,0|1,0,0]=4 31865 B12R1.456 CSCCCN1C[C@@H](C[C@@H]1C)F c67450b6702d04d1adf14032a5637d12 [0,2,0,1,0,0|1,0,0]=4 31866 B12R1.456 CSCCCN1C[C@@H](C[C@@H]1C)O 4c485e244cb0d310c9af5c6284a0d8e7 [0,2,0,1,0,0|1,0,0]=4 31867 B12R1.456 CSCCCN1C[C@@H](C[C@H]1C)F 37505feaea01370a6ab53dca732eb023 [0,2,0,1,0,0|1,0,0]=4 31868 B12R1.456 CSCCCN1C[C@@H](C[C@H]1C)O 8274783406e65a2163465473bac5a1e9 [0,2,0,1,0,0|1,0,0]=4 31869 B12R1.456 CSCCCN1C[C@H](C[C@@H]1C)F ac2fe34811c4d41049b37e07b83cbafa [0,2,0,1,0,0|1,0,0]=4 31870 B12R1.456 CSCCCN1C[C@H](C[C@@H]1C)O 955e2df7ed719302cacfd57a0ddc3a09 [0,2,0,1,0,0|1,0,0]=4 31871 B12R1.456 CSCCCN1C[C@H](C[C@H]1C)F 78d795811023126ab5afd5cf2b35cd3d [0,2,0,1,0,0|1,0,0]=4 31872 B12R1.456 CSCCCN1C[C@H](C[C@H]1C)O bfde28ee4e8dc93f5b3cb68d1e7c7e52 [0,2,0,1,0,0|1,0,0]=4 31873 B12R1.456 C[C@@H]1C[C@@H](CN1CCCCF)F bc7bd1857845a926729ac3be24fc0f83 [0,2,0,1,0,0|1,0,0]=4 31874 B12R1.456 C[C@@H]1C[C@@H](CN1CCCCF)O ad8dc76894bdbb6f40b4a795de5c96e8 [0,2,0,1,0,0|1,0,0]=4 31875 B12R1.456 C[C@@H]1C[C@@H](CN1CCCCO)F 9da4ae1d494f9c838457273c7cece0c5 [0,2,0,1,0,0|1,0,0]=4 31876 B12R1.456 C[C@@H]1C[C@@H](CN1CCCCO)O 568245af0225e416e67fa84b0f393e2e [0,2,0,1,0,0|1,0,0]=4 31877 B12R1.456 C[C@@H]1C[C@H](CN1CCCCF)F e4618dd67272f761e301d55d9d310b1b [0,2,0,1,0,0|1,0,0]=4 31878 B12R1.456 C[C@@H]1C[C@H](CN1CCCCF)O 2439e3e6642b4f1fa5a4b2c448569e80 [0,2,0,1,0,0|1,0,0]=4 31879 B12R1.456 C[C@@H]1C[C@H](CN1CCCCO)F e78bc885b545f288085f95dcec83a4ca [0,2,0,1,0,0|1,0,0]=4 31880 B12R1.456 C[C@@H]1C[C@H](CN1CCCCO)O da4d6a7033047600624a65eda66fcbf8 [0,2,0,1,0,0|1,0,0]=4 31881 B12R1.456 C[C@H]1C[C@@H](CN1CCCCF)F e5b19bdcdb9e29080391e9cec43ccbae [0,2,0,1,0,0|1,0,0]=4 31882 B12R1.456 C[C@H]1C[C@@H](CN1CCCCF)O bf70f37d32b94b4841ec6ad2c26f31b5 [0,2,0,1,0,0|1,0,0]=4 31883 B12R1.456 C[C@H]1C[C@@H](CN1CCCCO)F 7df20741201dc3bb4d27687c505cb2a2 [0,2,0,1,0,0|1,0,0]=4 31884 B12R1.456 C[C@H]1C[C@@H](CN1CCCCO)O 1aa4b8003284e7a5d44b0369e38fcd2c [0,2,0,1,0,0|1,0,0]=4 31885 B12R1.456 C[C@H]1C[C@H](CN1CCCCF)F 6153bf69b91ae611e3d8f04b60ddf9e5 [0,2,0,1,0,0|1,0,0]=4 31886 B12R1.456 C[C@H]1C[C@H](CN1CCCCF)O a6e5c5ebbf15ad93e5be602e2bbc3471 [0,2,0,1,0,0|1,0,0]=4 31887 B12R1.456 C[C@H]1C[C@H](CN1CCCCO)F 948f8593b531d4aadc316bfa3a3a53cc [0,2,0,1,0,0|1,0,0]=4 31888 B12R1.456 C[C@H]1C[C@H](CN1CCCCO)O 82ea003957dccfc45e6ef8ad82f31fb2 [0,2,0,1,0,0|1,0,0]=4 31889 B12R1.563 C#CCCCOC(C)CC1CC1 283674bc804ebb8ae6de451f548b5b6f [0,2,0,1,0,0|0,0,1]=4 31890 B12R1.563 C=CCCCOC(C)CC1CC1 02d4d90155c2ea1b46610112ccc8e132 [0,2,0,1,0,0|0,0,1]=4 31891 B12R1.563 CC(CC1CC1)OCCCC#N 8666ed7dcd68d3419b1342aea1c01103 [0,2,0,1,0,0|0,0,1]=4 31892 B12R1.563 CC(CC1CC1)OCCCC=O 8d443505b289e078d40a571aa9e4a458 [0,2,0,1,0,0|0,0,1]=4 31893 B12R1.563 CC(CC1CC1)OCCCCF 9786b1610f49e4dfc737c9a57c89c027 [0,2,0,1,0,0|0,0,0]=3 31894 B12R1.563 CC/C=C/COC(C)CC1CC1 d25e6e98fe038caf3a45271c4506c438 [0,2,0,1,0,0|0,0,1]=4 31895 B12R1.563 CCC#CCOC(C)CC1CC1 7b2e2447ad2aa4537c895c7444e939a4 [0,2,0,1,0,0|0,0,1]=4 31896 B12R1.563 CCCCCCC(C)NC1CC1 ccac73f915b06938a3c06e46f3d03342 [0,2,0,1,0,0|1,0,0]=4 31897 B12R1.563 CCCCCCC(C)OC1CC1 9e8dd4177668f962e6e88b2ac808ea4e [0,2,0,1,0,0|1,0,0]=4 31898 B12R1.563 CCCCCCN(C)CC1CC1 4c636ec3d102df49951358971cf5a659 [0,2,0,1,0,0|1,0,0]=4 31899 B12R1.563 CCCCCC[C@@H](C)NC1CC1 7753a0c1c0cc070ffe6f833a1637b013 [0,2,0,1,0,0|1,0,0]=4 31900 B12R1.563 CCCCCC[C@@H](C)OC1CC1 dd4b3574de6fa1efa20d485ed615a046 [0,2,0,1,0,0|1,0,0]=4 31901 B12R1.563 CCCCCC[C@H](C)NC1CC1 bb0007bc08d69947e541ceadac211844 [0,2,0,1,0,0|1,0,0]=4 31902 B12R1.563 CCCCCC[C@H](C)OC1CC1 8d3df25e229475ca775d04dcc6cd9848 [0,2,0,1,0,0|1,0,0]=4 31903 B12R1.563 CCCCCNC(=O)CC1CC1 f12e9579253eec36c1a8e6a252992cd3 [0,2,0,1,0,0|1,0,0]=4 31904 B12R1.563 CCCCCOC(C)CC1CC1 f788ae8c39e70944edc68abc7fd2ca3a [0,2,0,1,0,0|0,0,0]=3 31905 B12R1.563 CCCCOCC(=O)NC1CC1 59984acf48111c4becbfcfde27484d21 [0,2,0,1,0,0|0,0,1]=4 31906 B12R1.563 CCCCOCC(C)OC1CC1 c0942bf6e8284fd0cd9256721aa513b5 [0,2,0,1,0,0|0,0,0]=3 31907 B12R1.563 CCCCOCN(C)CC1CC1 09dff27ff6d87446f388894a58e19677 [0,2,0,1,0,0|0,0,0]=3 31908 B12R1.563 CCCOCCN(C)CC1CC1 fea88225da6058fbafd0ecf67f92b760 [0,2,0,1,0,0|1,0,0]=4 31909 B12R1.563 CCOCCCN(C)CC1CC1 8bc610613b99f84821d6662043898416 [0,2,0,1,0,0|1,0,0]=4 31910 B12R1.563 CCOCCOC(C)CC1CC1 b723025181c6d804d60a1fcffeef844b [0,2,0,1,0,0|0,0,0]=3 31911 B12R1.563 CCSCCCN(C)CC1CC1 9173c7b5a04827149b9d15c77828930b [0,2,0,1,0,0|1,0,0]=4 31912 B12R1.563 CCSCCOC(C)CC1CC1 9eaf047b861bb2ae2eda239a1d3953d8 [0,2,0,1,0,0|0,0,0]=3 31913 B12R1.563 CN(CCCCCF)CC1CC1 50eeb6778269f41e8eeee79f55f370ed [0,2,0,1,0,0|1,0,0]=4 31914 B12R1.563 CN(CCCCCO)CC1CC1 1087ed079b316b046d0e03d397a36ff8 [0,2,0,1,0,0|1,0,0]=4 31915 B12R1.563 COCCCCN(C)CC1CC1 e71c5c71c5381261d0d6d7f08c2fa6f1 [0,2,0,1,0,0|1,0,0]=4 31916 B12R1.563 COCCCOC(C)CC1CC1 76a4034a2bea53352ec4b92385b2f59a [0,2,0,1,0,0|0,0,0]=3 31917 B12R1.563 COCCOCN(C)CC1CC1 62e4b8eaa7d2131ecdbb9b4f61337ad3 [0,2,0,1,0,0|1,0,0]=4 31918 B12R1.563 CSCCCOC(C)CC1CC1 37c3c039e0c6d3cfb59c955bf74493f0 [0,2,0,1,0,0|0,0,0]=3 31919 B12R1.967 C=C1CC(C1)(C)COCCCC ebbf2238a23f29927c8fe48dac2848b2 [0,2,0,1,0,0|0,0,1]=4 31920 B12R1.967 CCCCCN[C@@]1(C[C@H](C1)O)C e9b4eb0ca51ef067a8d6d4612afd9902 [0,2,0,1,0,0|1,0,0]=4 31921 B12R1.967 CCCCNCC1(CC(C1)O)O 28e50724ac3bc86edb3305214beced1b [0,2,0,1,0,0|1,0,0]=4 31922 B12R1.967 CCCCOCC1(CC(=O)C1)C ca45cac041ca7c44343dcba1274afa63 [0,2,0,1,0,0|0,0,1]=4 31923 B12R1.967 CCCCOCC1(CN(C1)C)F a7aefcfe0c9af07c7b8f7641ad983a7b [0,2,0,1,0,0|1,0,0]=4 31924 B12R1.971 CCCCOCC1(CC1(F)F)C 4b3a1db2f27630140651e9d5b28e4f69 [0,2,0,1,0,0|1,0,0]=4 31925 B12R1.1376 CC(C)CC(=O)COC1CCC1 1170502479a842ee1bab2698131edb3d [0,2,0,1,0,0|0,0,1]=4 31926 B12R1.1376 CC(C)CC(C)COC1CCC1 7e9b9fa336c3e685de72235cac1be898 [0,2,0,1,0,0|0,0,0]=3 31927 B12R1.1376 CC(C)CC(C)COC1COC1 f82c6b93042ddf37c97f9f38c88482d6 [0,2,0,1,0,0|1,0,0]=4 31928 B12R1.1376 CC(C)CC(C)NCC1CCC1 d6de9eece11c02bafe9248d464ffa018 [0,2,0,1,0,0|1,0,0]=4 31929 B12R1.1376 CC(C)CC(C)OCC1CCC1 dead12f30c618603a295fd7954a83f78 [0,2,0,1,0,0|0,0,0]=3 31930 B12R1.1376 CC(C)CC(C)OCC1CCO1 5ce19bbb44bc0e511d3ae69c14316860 [0,2,0,1,0,0|1,0,0]=4 31931 B12R1.1376 CC(C)CC(C)OCC1COC1 947d9b896392e34a1319798c20f85acf [0,2,0,1,0,0|1,0,0]=4 31932 B12R1.1376 CC(C)CC(C)OCC1CSC1 515e811344d8ef240cad530bc9d56803 [0,2,0,1,0,0|1,0,0]=4 31933 B12R1.1376 CC(C)CC(C)OC[C@@H]1CCO1 27fbd7189fe48cf42bec26b761263185 [0,2,0,1,0,0|1,0,0]=4 31934 B12R1.1376 CC(C)CC(C)OC[C@H]1CCO1 de842055e2674b1c775b2ef11c21d4dc [0,2,0,1,0,0|1,0,0]=4 31935 B12R1.1376 CC(C)CC(O)CNC1CCC1 f7cd952a0359187621375ec861091336 [0,2,0,1,0,0|1,0,0]=4 31936 B12R1.1376 CC(C)C[C@@H](C)OCC1CCC1 21b4a8806b92caf78b07f20326a26fe2 [0,2,0,1,0,0|0,0,0]=3 31937 B12R1.1376 CC(C)C[C@@H](C)OCC1CCO1 af5c9976f17b0c283caf165b196c5394 [0,2,0,1,0,0|1,0,0]=4 31938 B12R1.1376 CC(C)C[C@@H](C)OCC1COC1 cb9cfd6e47de7e4d77e47b769380a989 [0,2,0,1,0,0|1,0,0]=4 31939 B12R1.1376 CC(C)C[C@@H](C)OC[C@@H]1CCO1 5c970d9c078ad1c077b8d0a214aacbb8 [0,2,0,1,0,0|1,0,0]=4 31940 B12R1.1376 CC(C)C[C@@H](C)OC[C@H]1CCO1 6fd70caca924c82dea6bc396b45f47b4 [0,2,0,1,0,0|1,0,0]=4 31941 B12R1.1376 CC(C)C[C@H](C)OCC1CCC1 b403981a30f533aee0478b45583d81f0 [0,2,0,1,0,0|0,0,0]=3 31942 B12R1.1376 CC(C)C[C@H](C)OCC1CCO1 f3afc44c1a6a0cb3171308e420a5d11c [0,2,0,1,0,0|1,0,0]=4 31943 B12R1.1376 CC(C)C[C@H](C)OCC1COC1 04f7370628ab6facf8f6573e1784b252 [0,2,0,1,0,0|1,0,0]=4 31944 B12R1.1376 CC(C)C[C@H](C)OC[C@@H]1CCO1 759adb5f3e7c447b9ee37ae3b7d4e28a [0,2,0,1,0,0|1,0,0]=4 31945 B12R1.1376 CC(C)C[C@H](C)OC[C@H]1CCO1 3f4fa4f0b2ae9ab1c1819388e184653d [0,2,0,1,0,0|1,0,0]=4 31946 B12R1.1376 CC(CN(C)C)OCC1CCC1 7fb8c3621bd1515e8c8b2b20b792ba14 [0,2,0,1,0,0|1,0,0]=4 31947 B12R1.1376 CC(COC1CCC1)CN(C)C 1ea10438cb2207bb076ea8f8fd061567 [0,2,0,1,0,0|1,0,0]=4 31948 B12R1.1376 CC(O)CC(C)NCC1CCC1 766dd40be3f0f979bb5f15de6838564c [0,2,0,1,0,0|1,0,0]=4 31949 B12R1.1376 C[C@@H](CN(C)C)OCC1CCC1 f3091ed29cece79cb7954069a85e8818 [0,2,0,1,0,0|1,0,0]=4 31950 B12R1.1376 C[C@@H](COC1CCC1)CN(C)C 802e33c68caf64b2716c8641b660cb2b [0,2,0,1,0,0|1,0,0]=4 31951 B12R1.1376 C[C@H](CN(C)C)OCC1CCC1 df18768d7eda96223d21d2bb9097e774 [0,2,0,1,0,0|1,0,0]=4 31952 B12R1.1376 C[C@H](COC1CCC1)CN(C)C c96ace4692c8bbfc0bc881f3a01c3a2e [0,2,0,1,0,0|1,0,0]=4 31953 B12R1.1377 CC(C)CC(=O)COCC1CC1 b41aa3d3c2eed73110d80d7b516f3c72 [0,2,0,1,0,0|0,0,1]=4 31954 B12R1.1377 CC(C)CC(C)COCC1CC1 b896b9ebb67efb4f63cd2a22b38a6c60 [0,2,0,1,0,0|0,0,0]=3 31955 B12R1.1377 CC(C)CC(C)NCCC1CC1 d199c48039f005001b68c27422c2b2a9 [0,2,0,1,0,0|1,0,0]=4 31956 B12R1.1377 CC(C)CC(C)OCCC1CC1 3819c33d9545ee3f1ba53b4a2b748b5f [0,2,0,1,0,0|0,0,0]=3 31957 B12R1.1377 CC(C)CC(C)OCCN1CC1 b9a1f1568886b48bbfebac1a538ce428 [0,2,0,1,0,0|1,0,0]=4 31958 B12R1.1377 CC(C)CC(O)CNCC1CC1 3a6c7227f5e8d4a7b4eb44e9e7b8e546 [0,2,0,1,0,0|1,0,0]=4 31959 B12R1.1377 CC(C)C[C@@H](C)OCCC1CC1 2f49019a33ea5dba58dec77412a48a60 [0,2,0,1,0,0|0,0,0]=3 31960 B12R1.1377 CC(C)C[C@H](C)OCCC1CC1 eceaf51557e20d2b45160652c90bc9e6 [0,2,0,1,0,0|0,0,0]=3 31961 B12R1.1377 CC(CN(C)C)OCCC1CC1 e4d73cc35abedbcf90b9444b6b386790 [0,2,0,1,0,0|1,0,0]=4 31962 B12R1.1377 CC(COCC1CC1)CN(C)C 26b492434355455b4d4deffdd08f3b05 [0,2,0,1,0,0|1,0,0]=4 31963 B12R1.1377 CC(O)CC(C)NCCC1CC1 fb6b1ab95f269c019f9007b6e5cdf447 [0,2,0,1,0,0|1,0,0]=4 31964 B12R1.1377 C[C@@H](CN(C)C)OCCC1CC1 5778b46434c50057ac9d2ddb4bf520aa [0,2,0,1,0,0|1,0,0]=4 31965 B12R1.1377 C[C@@H](COCC1CC1)CN(C)C 6cd0d596027c087b96909b6732745b24 [0,2,0,1,0,0|1,0,0]=4 31966 B12R1.1377 C[C@H](CN(C)C)OCCC1CC1 dc8dc598096e9962041ebb47c2a91392 [0,2,0,1,0,0|1,0,0]=4 31967 B12R1.1377 C[C@H](COCC1CC1)CN(C)C 4b50f0c39b7761572a7c21ec524d6f67 [0,2,0,1,0,0|1,0,0]=4 31968 B12R1.1392 CC(C)CN1CCCCCCC1 875db15dc93577c59f280f4bfcb2a079 [0,2,0,1,0,0|1,0,0]=4 31969 B12R1.1392 CC(C)NC1CCCCCCC1 4960df66dfec5c783ead5219ce2db7c5 [0,2,0,1,0,0|1,0,0]=4 31970 B12R1.1392 CC(C)OC1CCCCCCC1 2cc939b3b0003aeb698784dce3d74023 [0,2,0,1,0,0|1,0,0]=4 31971 B12R1.1392 CC(O)CN1CCCCCCC1 844ad6b1fe1423cf22ee789eaa44b646 [0,2,0,1,0,0|1,0,0]=4 31972 B12R1.1392 C[C@@H](O)CN1CCCCCCC1 ddcedaa286b87f599dcef10fe2700d4d [0,2,0,1,0,0|1,0,0]=4 31973 B12R1.1392 C[C@H](O)CN1CCCCCCC1 45b5fcd2ac9f1ea0f8389f9e0e58d63b [0,2,0,1,0,0|1,0,0]=4 31974 B12R1.1644 CCCCN1CC(CC1(C)C)C 6d858705ebecc4e72d36878a0a95ab58 [0,2,0,1,0,0|1,0,0]=4 31975 B12R1.1644 CCCCN1CC(CC1(C)C)O 7c89043d81307fcd642b31ee522238ff [0,2,0,1,0,0|1,0,0]=4 31976 B12R1.1644 CCCCN1C[C@H](CC1(C)C)O c80b9ea97dedb32113e30ea01fffd1c2 [0,2,0,1,0,0|1,0,0]=4 31977 B12R1.1755 CCCCCO[C@@H]1C[C@@H]1C(=O)O 0de3b40982f4bf69442cd8f4f5d3369c [0,2,0,1,0,0|0,0,1]=4 31978 B12R1.1755 CCCCCO[C@H]1C[C@@H]1C(=O)O a35a1e2087a6e5cd445b48ca19572c22 [0,2,0,1,0,0|0,0,1]=4 31979 B12R1.1755 CCCCCO[C@H]1C[C@H]1C(=O)O ac5e67675507d1b46d847e01c497f0b1 [0,2,0,1,0,0|0,0,1]=4 31980 B12R1.1755 CCCCOCC1CC1C(=O)O 1540be510903897b88d1579006ee0d5a [0,2,0,1,0,0|0,0,1]=4 31981 B12R1.1755 CCCCOC[C@@H]1C[C@H]1C(=O)O 636afe16e837ecf8e8261d29f171be53 [0,2,0,1,0,0|0,0,1]=4 31982 B12R1.1755 CCCCOC[C@H]1C[C@@H]1C(=O)O fff6cd54ae73d4eec9d728a0fd3fb6e7 [0,2,0,1,0,0|0,0,1]=4 31983 B12R1.1755 CCCCOC[C@H]1C[C@H]1C(=O)O 5827add97c6eb51837ecdbdf511fc88f [0,2,0,1,0,0|0,0,1]=4 31984 B12R1.1760 CC1(CC(C1)COCCCF)C c5ad7eb6fee7f284811b17ea4c7f6935 [0,2,0,1,0,0|1,0,0]=4 31985 B12R1.1760 CC1(CC(C1)COCCCS)C 0df28769992c608292b4248bc5fe405e [0,2,0,1,0,0|1,0,0]=4 31986 B12R1.1760 CC1(CC(C1)OCCCCF)C 9a2344478108d73e0920f77d4f90ff0c [0,2,0,1,0,0|1,0,0]=4 31987 B12R1.1760 CC1(CC(C1)OCCCCS)C 821b0b4f67785b98d2a7c3a067d65ed9 [0,2,0,1,0,0|1,0,0]=4 31988 B12R1.1760 CC1(CC(O1)COCCCF)C 65236c5eff96be5f13af8e18a6d165ca [0,2,0,1,0,0|1,0,0]=4 31989 B12R1.1760 CC1(CC(O1)COCCCS)C 4213bad0732bbd979e9b179c7a8481ce [0,2,0,1,0,0|1,0,0]=4 31990 B12R1.1760 CCCCCNC1CC(C1)(C)C 946a2e361ea745a76a5126fe9246a4f7 [0,2,0,1,0,0|1,0,0]=4 31991 B12R1.1760 CCCCCNC1CC(C1)(C)O 874f9c6263b951be4bf3db05301408c4 [0,2,0,1,0,0|1,0,0]=4 31992 B12R1.1760 CCCCCNC1CC(C1)(F)F 25a95d5a48e383b3b9d53a9bc00d5bea [0,2,0,1,0,0|1,0,0]=4 31993 B12R1.1760 CCCCCN[C@H]1C[C@@](C1)(C)O 1bb62ffc33e97a55a8dd437b036862d0 [0,2,0,1,0,0|1,0,0]=4 31994 B12R1.1760 CCCCCOC1CC(C1)(C)C 4779a7894c28a58d231ec4b15ffaaa1b [0,2,0,1,0,0|0,0,0]=3 31995 B12R1.1760 CCCCCOC1CC(C1)(F)F 5b8dfe0cc79d37243d178588c20f54c4 [0,2,0,1,0,0|0,0,0]=3 31996 B12R1.1760 CCCCCOC1CS(=O)(=O)C1 f2515358361a666c59a8ba8cff88178d [0,2,0,1,0,0|1,0,0]=4 31997 B12R1.1760 CCCCNCC1CC(C1)(C)C b60af6ad94d0469630db3f2b0a89acef [0,2,0,1,0,0|1,0,0]=4 31998 B12R1.1760 CCCCNCC1CC(C1)(F)F 20f49c90d276a52b13021b44ac2af58c [0,2,0,1,0,0|1,0,0]=4 31999 B12R1.1760 CCCCNCC1CC(O1)(C)C 650a5c4960e607732ad2a59c65cf1423 [0,2,0,1,0,0|1,0,0]=4 32000 B12R1.1760 CCCCNC[C@H]1C[C@@](C1)(C)O b8f8c28c98493d43b1331dcd1bce4670 [0,2,0,1,0,0|1,0,0]=4 32001 B12R1.1760 CCCCNC[C@H]1C[C@](C1)(C)O eaf7e67847b59112a72122f76a3380f9 [0,2,0,1,0,0|1,0,0]=4 32002 B12R1.1760 CCCCOCC1CC(C1)(C)C 37e7a2c88fe43f407f060be58fe95338 [0,2,0,1,0,0|0,0,0]=3 32003 B12R1.1760 CCCCOCC1CC(C1)(F)F ca57a904ecff610f3e0358f65c342a06 [0,2,0,1,0,0|0,0,0]=3 32004 B12R1.1760 CCCCOCC1CC(O1)(C)C b03a3be1c9d8cce3ae7c0fafac9c678c [0,2,0,1,0,0|0,0,0]=3 32005 B12R1.1760 CCCCOCC1CS(=O)(=O)C1 8dc737cd788b1660f33ff6160b717b8e [0,2,0,1,0,0|1,0,0]=4 32006 B12R1.1760 CCCCOCN1CC(C1)(C)C d1ba7a7ace6ded5c188e9a01e302be99 [0,2,0,1,0,0|1,0,0]=4 32007 B12R1.1760 CCCCOCN1CC(C1)(C)O 5905fea80a2e49b2416a43dcd492d69c [0,2,0,1,0,0|1,0,0]=4 32008 B12R1.1760 CCCCOCN1CC(C1)(F)F 9291a0d4d831526ec8d746180cd3e663 [0,2,0,1,0,0|1,0,0]=4 32009 B12R1.1760 CCOCCOC1CC(C1)(C)C cad20a9158998beeaff3caf205542b89 [0,2,0,1,0,0|1,0,0]=4 32010 B12R1.1760 CCOCCOC1CC(C1)(F)F a38c073ca1002aa5fec0c8dd6bf91444 [0,2,0,1,0,0|1,0,0]=4 32011 B12R1.1760 CCOCOCC1CC(C1)(C)C 045bf6b43b6611950328956bb950be90 [0,2,0,1,0,0|1,0,0]=4 32012 B12R1.1760 CCOCOCC1CC(C1)(F)F 1197da01453f0298cddababb14496a2c [0,2,0,1,0,0|1,0,0]=4 32013 B12R1.1760 CCOCOCC1CC(O1)(C)C 0a579b670173a67def462fc12ea0d799 [0,2,0,1,0,0|1,0,0]=4 32014 B12R1.1760 CCSCCOC1CC(C1)(C)C c2bef9cf43d26168b93893724a1eef94 [0,2,0,1,0,0|1,0,0]=4 32015 B12R1.1760 CCSCCOC1CC(C1)(F)F 53af68bfc8b31d8ec8b0d3068cf94e82 [0,2,0,1,0,0|1,0,0]=4 32016 B12R1.1760 COCCCOC1CC(C1)(C)C 740c4b0b18812d4f09e0573ea3d8afe8 [0,2,0,1,0,0|1,0,0]=4 32017 B12R1.1760 COCCCOC1CC(C1)(F)F cf685bfe0f485f5f65f56c98d168f2dd [0,2,0,1,0,0|1,0,0]=4 32018 B12R1.1760 COCCOCC1CC(C1)(C)C 762400e6141ffbe7f92b0b3b25c5d3bd [0,2,0,1,0,0|1,0,0]=4 32019 B12R1.1760 COCCOCC1CC(C1)(F)F d546ddc939a587e2b1dda2d850b8458c [0,2,0,1,0,0|1,0,0]=4 32020 B12R1.1760 COCCOCC1CC(O1)(C)C 5c43e890c20dafc2f8cc97a76006cf28 [0,2,0,1,0,0|1,0,0]=4 32021 B12R1.1760 CSCCCOC1CC(C1)(C)C 57af2ff7e4a2fc4a866069b163d9cbcd [0,2,0,1,0,0|1,0,0]=4 32022 B12R1.1760 CSCCCOC1CC(C1)(F)F a176f471f5cb98e1739654ff4269c787 [0,2,0,1,0,0|1,0,0]=4 32023 B12R1.1760 CSCCOCC1CC(C1)(C)C 29a1ebae779ad2766e53b36d8e47185c [0,2,0,1,0,0|1,0,0]=4 32024 B12R1.1760 CSCCOCC1CC(C1)(F)F 214180e970be48eb30db8cdd4a2561b1 [0,2,0,1,0,0|1,0,0]=4 32025 B12R1.1760 CSCCOCC1CC(O1)(C)C e38e9dad7dc02f010f8462f3d341b8d7 [0,2,0,1,0,0|1,0,0]=4 32026 B12R1.1760 FC1(CC(C1)COCCCS)F 5d1dbc5f84df32b7b7582751806a9f77 [0,2,0,1,0,0|1,0,0]=4 32027 B12R1.1760 FC1(CC(C1)OCCCCS)F 98614cdabf5fd9d9e27574f5da57a4b2 [0,2,0,1,0,0|1,0,0]=4 32028 B12R1.1760 FCCCCOC1CC(C1)(F)F c957198097b7aa9e001ffba682be1646 [0,2,0,1,0,0|1,0,0]=4 32029 B12R1.1760 FCCCOCC1CC(C1)(F)F 182d7ee50d2c8b7ed28a033a10c0a8ba [0,2,0,1,0,0|1,0,0]=4 32030 B12R1.28 CC1=CC(CCC1)OCCCF 5a7414c89a47ff9bd10ff35b5e80f2a3 [0,2,0,1,0,0|1,0,0]=4 32031 B12R1.28 CC1=CC(CCC1)OCCCS 2be66ad000c536237dbdfae455b488b1 [0,2,0,1,0,0|1,0,0]=4 32032 B12R1.28 CC1CC(CCO1)OCCCF ba75dc11daa283334e502081a1f3f4ec [0,2,0,1,0,0|1,0,0]=4 32033 B12R1.28 CC1CC(CCO1)OCCCS 657de1b9c8e511cc3330e8db1b0736fa [0,2,0,1,0,0|1,0,0]=4 32034 B12R1.28 CC1CCCC(C1)OCCCF 20e022334b9b6ccec250424539c6cd93 [0,2,0,1,0,0|1,0,0]=4 32035 B12R1.28 CC1CCCC(C1)OCCCS 7b17b7a7363647c5288cb61412321a2c [0,2,0,1,0,0|1,0,0]=4 32036 B12R1.28 CC1CCCN(C1)CCCCF 80e47f4642361cdcec44f60627cc5558 [0,2,0,1,0,0|1,0,0]=4 32037 B12R1.28 CC1CCCN(C1)CCCCO c4cf21606d352459ef7631ac4a30fd34 [0,2,0,1,0,0|1,0,0]=4 32038 B12R1.28 CCCCCN1CCCC(=O)C1 e51b80ae756b9d9a19691a7d6d1a8d18 [0,2,0,1,0,0|1,0,0]=4 32039 B12R1.28 CCCCCN1CCCC(C1)C 034f0cd52228eec702f5e1d9f623a1ef [0,2,0,1,0,0|1,0,0]=4 32040 B12R1.28 CCCCCN1CCCC(C1)F 95daa1d12b5e70e90491d35187de563c [0,2,0,1,0,0|1,0,0]=4 32041 B12R1.28 CCCCCN1CCCC(C1)O 1876bd10a5663e3bfdca99bc671b3252 [0,2,0,1,0,0|1,0,0]=4 32042 B12R1.28 CCCCCN1CCC[C@@H](C1)C 748529eff5dbd297229860a5cd284402 [0,2,0,1,0,0|1,0,0]=4 32043 B12R1.28 CCCCCN1CCC[C@@H](C1)F 52d07b950d4ca3d133dc3dfd9703a426 [0,2,0,1,0,0|1,0,0]=4 32044 B12R1.28 CCCCCN1CCC[C@@H](C1)O fb299ef9f9162060bc153e2c9986ef09 [0,2,0,1,0,0|1,0,0]=4 32045 B12R1.28 CCCCCN1CCC[C@H](C1)C e0efc0c4adf89ae05e7382cc40619fda [0,2,0,1,0,0|1,0,0]=4 32046 B12R1.28 CCCCCN1CCC[C@H](C1)F 46ed7e196d35184d9786b35c1f7aea02 [0,2,0,1,0,0|1,0,0]=4 32047 B12R1.28 CCCCCN1CCC[C@H](C1)O b1046e9617b96b0692b9b8ea5fcb0300 [0,2,0,1,0,0|1,0,0]=4 32048 B12R1.28 CCCCCN1CCOC(C1)C 4ecd69bb000c834e56ba307546834cd1 [0,2,0,1,0,0|1,0,0]=4 32049 B12R1.28 CCCCCN1CCO[C@@H](C1)C 68a74185893e69f4e06294c47d35cf9b [0,2,0,1,0,0|1,0,0]=4 32050 B12R1.28 CCCCCN1CCO[C@H](C1)C 50294a7df960ad60adb1bbd378d7a0a7 [0,2,0,1,0,0|1,0,0]=4 32051 B12R1.28 CCCCNC1CCCC(=O)C1 b3434e6ae01328abe266df8a438d00a0 [0,2,0,1,0,0|1,0,0]=4 32052 B12R1.28 CCCCNC1CCCC(C1)C c3aedfc52b7c98688fa5c97a57bbb255 [0,2,0,1,0,0|1,0,0]=4 32053 B12R1.28 CCCCNC1CCCC(C1)O bf80df5a87af324b4cf9f232830e321a [0,2,0,1,0,0|1,0,0]=4 32054 B12R1.28 CCCCNC1CCCN(C1)C 3437a5443ea8a7cae2f4950d48482ab0 [0,2,0,1,0,0|1,0,0]=4 32055 B12R1.28 CCCCNC1CCOC(C1)C 4ac1521d6c9fb9770d7e99b89c4cbe7a [0,2,0,1,0,0|1,0,0]=4 32056 B12R1.28 CCCCNC1COCC(C1)O 06341c88163648b56c43bbc0d6b474d4 [0,2,0,1,0,0|1,0,0]=4 32057 B12R1.28 CCCCN[C@@H]1CCCN(C1)C 5edb5bbb706d5704c941acacbfa1fea4 [0,2,0,1,0,0|1,0,0]=4 32058 B12R1.28 CCCCN[C@@H]1CCC[C@@H](C1)O b76fd47ab15d04e3c310dfd8cccf123f [0,2,0,1,0,0|1,0,0]=4 32059 B12R1.28 CCCCN[C@@H]1CCC[C@H](C1)C 86f9476a269709af88d77e95af271f8e [0,2,0,1,0,0|1,0,0]=4 32060 B12R1.28 CCCCN[C@@H]1CCC[C@H](C1)O 42193708dc97e2cb6c32c077d41fa169 [0,2,0,1,0,0|1,0,0]=4 32061 B12R1.28 CCCCN[C@@H]1CCO[C@@H](C1)C 731af21179a159266e18b7b7c8612747 [0,2,0,1,0,0|1,0,0]=4 32062 B12R1.28 CCCCN[C@@H]1CCO[C@H](C1)C d8aab47e4e9a02b9ac1e83ef5a3ab90e [0,2,0,1,0,0|1,0,0]=4 32063 B12R1.28 CCCCN[C@@H]1COC[C@@H](C1)O be1bf36dacdaa3ebe928156b12c3cdde [0,2,0,1,0,0|1,0,0]=4 32064 B12R1.28 CCCCN[C@H]1CCCN(C1)C 372efcf6616c04c6a165fe390bb9ce7d [0,2,0,1,0,0|1,0,0]=4 32065 B12R1.28 CCCCN[C@H]1CCC[C@@H](C1)O 0bfac2a7eb181db05c9a3be09c312e48 [0,2,0,1,0,0|1,0,0]=4 32066 B12R1.28 CCCCN[C@H]1CCC[C@H](C1)O ad83f71f977642bea0b7531a1512f1f9 [0,2,0,1,0,0|1,0,0]=4 32067 B12R1.28 CCCCN[C@H]1CCO[C@@H](C1)C ca86d29bcf09b31a52d0dab0e61ca29c [0,2,0,1,0,0|1,0,0]=4 32068 B12R1.28 CCCCN[C@H]1CCO[C@H](C1)C 59f2c7c96ac8fc81c4fa670d412a1f4f [0,2,0,1,0,0|1,0,0]=4 32069 B12R1.28 CCCCN[C@H]1COC[C@H](C1)O 60d35effddf6be5745dbf04489ff5132 [0,2,0,1,0,0|1,0,0]=4 32070 B12R1.28 CCCCOC1C=C(CCC1)C e2e43c0cd4f6374a9c4553e97e99e9d0 [0,2,0,1,0,0|0,0,0]=3 32071 B12R1.28 CCCCOC1CCCC(=O)C1 bf043af5b4aeac8f33e9dc0bf6cd4761 [0,2,0,1,0,0|0,0,0]=3 32072 B12R1.28 CCCCOC1CCCC(C1)C b9f83489f977e221372b6c6bf7587cfc [0,2,0,1,0,0|0,0,0]=3 32073 B12R1.28 CCCCOC1CCCN(C1)C 0fcb7b7a4c0662cccaadb0d08f94d190 [0,2,0,1,0,0|0,0,0]=3 32074 B12R1.28 CCCCOC1CCNC(=O)C1 9132d818902ebe3882639b508c29a80b [0,2,0,1,0,0|0,0,1]=4 32075 B12R1.28 CCCCOC1CCOC(C1)C e816b9688319e01c017114941493ed3d [0,2,0,1,0,0|0,0,0]=3 32076 B12R1.28 CCCCO[C@@H]1CCCN(C1)C a556df82bb90d685669fad80f750ee40 [0,2,0,1,0,0|0,0,0]=3 32077 B12R1.28 CCCCO[C@@H]1CCC[C@@H](C1)C d4fbe228b58fc307beff06cf6dc06498 [0,2,0,1,0,0|0,0,0]=3 32078 B12R1.28 CCCCO[C@@H]1CCNC(=O)C1 74e30496240abbe2d3725fc24db5e80f [0,2,0,1,0,0|0,0,1]=4 32079 B12R1.28 CCCCO[C@@H]1CCO[C@@H](C1)C 0e3119ce011a9a5071567c53bb3b1566 [0,2,0,1,0,0|0,0,0]=3 32080 B12R1.28 CCCCO[C@@H]1CCO[C@H](C1)C 254d6a854a0c21663d2746d574820602 [0,2,0,1,0,0|0,0,0]=3 32081 B12R1.28 CCCCO[C@H]1CCCN(C1)C 56272b134fe0158d33fe19495130ac86 [0,2,0,1,0,0|0,0,0]=3 32082 B12R1.28 CCCCO[C@H]1CCC[C@@H](C1)C 23f2cd09ac7f074cc53d0e5d8d8cbd3a [0,2,0,1,0,0|0,0,0]=3 32083 B12R1.28 CCCCO[C@H]1CCC[C@H](C1)C 19bcec12f12e2dd0bdff4b0d656516b7 [0,2,0,1,0,0|0,0,0]=3 32084 B12R1.28 CCCCO[C@H]1CCNC(=O)C1 e1142b7992ef648d1dc34aad56bcf4bb [0,2,0,1,0,0|0,0,1]=4 32085 B12R1.28 CCCCO[C@H]1CCO[C@@H](C1)C 7fa327dedc71205c4171ececcedd0373 [0,2,0,1,0,0|0,0,0]=3 32086 B12R1.28 CCCCO[C@H]1CCO[C@H](C1)C 2401abb87f3bf755e8eb7085143438e3 [0,2,0,1,0,0|0,0,0]=3 32087 B12R1.28 CCCNCC1CCCC(C1)C e8699c4b1293870ad2c7fdbe5acf7dc8 [0,2,0,1,0,0|1,0,0]=4 32088 B12R1.28 CCCNCC1CCCC(C1)O 737ffa8c72ce53f79a04fa75e589ae02 [0,2,0,1,0,0|1,0,0]=4 32089 B12R1.28 CCCNCC1CN(CCO1)C 8898100b0e880a1a7ae0f304372b0031 [0,2,0,1,0,0|1,0,0]=4 32090 B12R1.28 CCCNC[C@@H]1CN(CCO1)C f85087fddc7f76dac0caeb5f1bafd56a [0,2,0,1,0,0|1,0,0]=4 32091 B12R1.28 CCCNC[C@H]1CCC[C@H](C1)O a3a70b14ee52b3579bfb9e1f898f4604 [0,2,0,1,0,0|1,0,0]=4 32092 B12R1.28 CCCNC[C@H]1CN(CCO1)C a7fc960e23d1f87ed7d99bbe04e5f435 [0,2,0,1,0,0|1,0,0]=4 32093 B12R1.28 CCCOCC1CCCC(C1)C 4c846832801db50ad0eb719c49bf75f3 [0,2,0,1,0,0|1,0,0]=4 32094 B12R1.28 CCCOCC1CN(CCO1)C fdc90a552c307e43ae6ea0f8594239f6 [0,2,0,1,0,0|1,0,0]=4 32095 B12R1.28 CCCOC[C@@H]1CN(CCO1)C fd21a176bfb8a8476f1dca40705b4c68 [0,2,0,1,0,0|1,0,0]=4 32096 B12R1.28 CCCOC[C@H]1CN(CCO1)C 0e307d95cb3f2dadbb2aff7d7497d72a [0,2,0,1,0,0|1,0,0]=4 32097 B12R1.28 CCNCCN1CCCC(C1)C ce5aed5d82d7be2fe8a64f4171d540dd [0,2,0,1,0,0|1,0,0]=4 32098 B12R1.28 CCNCCN1CCCC(C1)O 4edbcadfac823db5d89c54f63000d4ba [0,2,0,1,0,0|1,0,0]=4 32099 B12R1.28 CCOCCC1CN(CCO1)C a7b358a3bb9825cb9b9a4a8a0fc5d373 [0,2,0,1,0,0|1,0,0]=4 32100 B12R1.28 CCOCCN1CCCC(C1)C f524dcfa9084e4b82867599796d0f1f3 [0,2,0,1,0,0|1,0,0]=4 32101 B12R1.28 CCOCCN1CCCC(C1)F 28dbf294ca1f7d6b86eeaf845de97965 [0,2,0,1,0,0|1,0,0]=4 32102 B12R1.28 CCOCCN1CCCC(C1)O b75a9cad9f58e04b5da0141a5ee09283 [0,2,0,1,0,0|1,0,0]=4 32103 B12R1.28 CCOCCN1CCC[C@@H](C1)C bb627102caac45a49b7b832a7132db6d [0,2,0,1,0,0|1,0,0]=4 32104 B12R1.28 CCOCCN1CCC[C@@H](C1)F d0580f0b6b8fc14182a8f73a2411e66c [0,2,0,1,0,0|1,0,0]=4 32105 B12R1.28 CCOCCN1CCC[C@@H](C1)O 6f38afe51b743e8185d73da32cbd6ca1 [0,2,0,1,0,0|1,0,0]=4 32106 B12R1.28 CCOCCN1CCC[C@H](C1)C 414893bcf88f8638b6531371ff43b4be [0,2,0,1,0,0|1,0,0]=4 32107 B12R1.28 CCOCCN1CCC[C@H](C1)F d53ed9b5e84d3cf90cc2404ce37a3812 [0,2,0,1,0,0|1,0,0]=4 32108 B12R1.28 CCOCCN1CCC[C@H](C1)O e0f21755ae0ee46a5cb212bf8b4efcd1 [0,2,0,1,0,0|1,0,0]=4 32109 B12R1.28 CCOCOC1CCCC(C1)C ee2cd31748268ab21c2b3a1d501dd63f [0,2,0,1,0,0|1,0,0]=4 32110 B12R1.28 CCOCOC1CCCN(C1)C cf0c5c40d6d5e9aaf0b9693d92e20780 [0,2,0,1,0,0|1,0,0]=4 32111 B12R1.28 CCOCOC1CCOC(C1)C 7595f0a412b70d537835727cfd14ab40 [0,2,0,1,0,0|1,0,0]=4 32112 B12R1.28 CCOCO[C@@H]1CCCN(C1)C a0cc4986705e3e3dd4a34d087420cee0 [0,2,0,1,0,0|1,0,0]=4 32113 B12R1.28 CCOCO[C@@H]1CCC[C@@H](C1)C 7b3f5548e9a50d705ee24fc89681382b [0,2,0,1,0,0|1,0,0]=4 32114 B12R1.28 CCOCO[C@@H]1CCO[C@@H](C1)C 1a82c9c150d36e458a9b599effede3cb [0,2,0,1,0,0|1,0,0]=4 32115 B12R1.28 CCOCO[C@@H]1CCO[C@H](C1)C cbf77c77fbba014ab4330e3c7241a1b3 [0,2,0,1,0,0|1,0,0]=4 32116 B12R1.28 CCOCO[C@H]1CCCN(C1)C 781e279afe32ca823950122a37f18e50 [0,2,0,1,0,0|1,0,0]=4 32117 B12R1.28 CCOCO[C@H]1CCC[C@@H](C1)C 96c73f92628d308d73ea0c91381853ef [0,2,0,1,0,0|1,0,0]=4 32118 B12R1.28 CCOCO[C@H]1CCC[C@H](C1)C 559746bf29dee48d944c3826a24ee6d0 [0,2,0,1,0,0|1,0,0]=4 32119 B12R1.28 CCOCO[C@H]1CCO[C@@H](C1)C 9efb29a32240ff1c2383d87ea5350a99 [0,2,0,1,0,0|1,0,0]=4 32120 B12R1.28 CCOCO[C@H]1CCO[C@H](C1)C f9291670fbc776b51f35bd89c61f38cf [0,2,0,1,0,0|1,0,0]=4 32121 B12R1.28 CCSCCN1CCCC(C1)C 4ce55036f6c056eae10c58efcdb747f6 [0,2,0,1,0,0|1,0,0]=4 32122 B12R1.28 CCSCCN1CCCC(C1)F 19f9288ffd00d2cac83381c5e66800b2 [0,2,0,1,0,0|1,0,0]=4 32123 B12R1.28 CCSCCN1CCCC(C1)O cb61fcb25848793a76595daf5c53d980 [0,2,0,1,0,0|1,0,0]=4 32124 B12R1.28 CCSCCN1CCC[C@@H](C1)C 7cabdf72ded238590c1ae4ba35627490 [0,2,0,1,0,0|1,0,0]=4 32125 B12R1.28 CCSCCN1CCC[C@@H](C1)F d3725ce7bf361467312b456f50c989df [0,2,0,1,0,0|1,0,0]=4 32126 B12R1.28 CCSCCN1CCC[C@@H](C1)O 4954235af8c35a92a6d95b227d35a804 [0,2,0,1,0,0|1,0,0]=4 32127 B12R1.28 CCSCCN1CCC[C@H](C1)C 33d405e0f558fadcf743220793a31caa [0,2,0,1,0,0|1,0,0]=4 32128 B12R1.28 CCSCCN1CCC[C@H](C1)F c6519d7d93540710a48e36038fdb66ba [0,2,0,1,0,0|1,0,0]=4 32129 B12R1.28 CCSCCN1CCC[C@H](C1)O 2a96da2dd38cc4596b88ff223fd9e960 [0,2,0,1,0,0|1,0,0]=4 32130 B12R1.28 CN1CCCC(C1)OCCCF eff497960edd332825fbebb4ced1e6f2 [0,2,0,1,0,0|1,0,0]=4 32131 B12R1.28 CN1CCCC(C1)OCCCS c193ccf40dcdc531627595aeb2e76fb5 [0,2,0,1,0,0|1,0,0]=4 32132 B12R1.28 CN1CCC[C@@H](C1)OCCCF 0a49e912ec1e4032e3bb339245b1983e [0,2,0,1,0,0|1,0,0]=4 32133 B12R1.28 CN1CCC[C@@H](C1)OCCCS 610faf936703e14f2a6e3b36325c4ef3 [0,2,0,1,0,0|1,0,0]=4 32134 B12R1.28 CN1CCC[C@H](C1)OCCCF 014b642a3fdd1acb3679d2394991f907 [0,2,0,1,0,0|1,0,0]=4 32135 B12R1.28 CN1CCC[C@H](C1)OCCCS 60c49350233045f8c7693043a1316e87 [0,2,0,1,0,0|1,0,0]=4 32136 B12R1.28 COCCCN1CCCC(C1)C ea3b04d4babd821cb80257e9b0c49f84 [0,2,0,1,0,0|1,0,0]=4 32137 B12R1.28 COCCCN1CCCC(C1)F 80404211ddb204d32bef3e5e368ff233 [0,2,0,1,0,0|1,0,0]=4 32138 B12R1.28 COCCCN1CCCC(C1)O 8b2c348927e69b72d9892d77c19ad74a [0,2,0,1,0,0|1,0,0]=4 32139 B12R1.28 COCCCN1CCC[C@@H](C1)C 07cd47040d0cc435e9ad7c07ff491483 [0,2,0,1,0,0|1,0,0]=4 32140 B12R1.28 COCCCN1CCC[C@@H](C1)F fdf695476804eb06d250f8e57bae1036 [0,2,0,1,0,0|1,0,0]=4 32141 B12R1.28 COCCCN1CCC[C@@H](C1)O fdee2f87e91699d170baa6f31bc82fb4 [0,2,0,1,0,0|1,0,0]=4 32142 B12R1.28 COCCCN1CCC[C@H](C1)C 01b97ed9d99b712b7bb28e9f1c694dcd [0,2,0,1,0,0|1,0,0]=4 32143 B12R1.28 COCCCN1CCC[C@H](C1)F 432e3fcf3dfe47a8257d26ae9e68b7a9 [0,2,0,1,0,0|1,0,0]=4 32144 B12R1.28 COCCCN1CCC[C@H](C1)O 464aa4add52621e16f8592bc3b1654b0 [0,2,0,1,0,0|1,0,0]=4 32145 B12R1.28 COCCOC1C=C(CCC1)C c58c8d5745994c073958deab77166467 [0,2,0,1,0,0|1,0,0]=4 32146 B12R1.28 COCCOC1CCCC(=O)C1 e67fe5bd4f655f4a6dbb6199428a92ee [0,2,0,1,0,0|1,0,0]=4 32147 B12R1.28 COCCOC1CCCC(C1)C c1e7b5a3ae57b08051c71a55b64e3085 [0,2,0,1,0,0|1,0,0]=4 32148 B12R1.28 COCCOC1CCCN(C1)C b8bd8014dc86e623ea1e521326293dbd [0,2,0,1,0,0|1,0,0]=4 32149 B12R1.28 COCCOC1CCOC(C1)C cec03e21fff6f8e7a6f423e92cc82963 [0,2,0,1,0,0|1,0,0]=4 32150 B12R1.28 COCCO[C@@H]1CCCN(C1)C d07c3117a46e3c110b56d3b90b194a79 [0,2,0,1,0,0|1,0,0]=4 32151 B12R1.28 COCCO[C@@H]1CCC[C@@H](C1)C e069d25dad4ff09f5dbb72d07bfb24cb [0,2,0,1,0,0|1,0,0]=4 32152 B12R1.28 COCCO[C@@H]1CCO[C@@H](C1)C 92b0ac09be285052da4a450b9c0d9699 [0,2,0,1,0,0|1,0,0]=4 32153 B12R1.28 COCCO[C@@H]1CCO[C@H](C1)C 1dd97f90c31f0f430713d6fef52982b4 [0,2,0,1,0,0|1,0,0]=4 32154 B12R1.28 COCCO[C@H]1CCCN(C1)C 6045e77c8f89d06ba6e9148e4b66729d [0,2,0,1,0,0|1,0,0]=4 32155 B12R1.28 COCCO[C@H]1CCC[C@@H](C1)C 1fbd5b7254618f5a0613b002f8f63953 [0,2,0,1,0,0|1,0,0]=4 32156 B12R1.28 COCCO[C@H]1CCC[C@H](C1)C 178990b6fdd00744430ccf8383e122d1 [0,2,0,1,0,0|1,0,0]=4 32157 B12R1.28 COCCO[C@H]1CCO[C@@H](C1)C 34545e17bfc8213015f19b9ed2a883b6 [0,2,0,1,0,0|1,0,0]=4 32158 B12R1.28 COCCO[C@H]1CCO[C@H](C1)C 510a75441ec1b7aa1d15db1262905ebe [0,2,0,1,0,0|1,0,0]=4 32159 B12R1.28 CSCCCN1CCCC(C1)C 8e77277a851cd4ad12539cb09bc70d93 [0,2,0,1,0,0|1,0,0]=4 32160 B12R1.28 CSCCCN1CCCC(C1)F eff2b97e156d6ee40c09b4a21cd525cb [0,2,0,1,0,0|1,0,0]=4 32161 B12R1.28 CSCCCN1CCCC(C1)O d0a9b56fb932afc62296e67dacfc84f5 [0,2,0,1,0,0|1,0,0]=4 32162 B12R1.28 CSCCCN1CCC[C@@H](C1)C d240f9b93d945731cb774a298e3082c9 [0,2,0,1,0,0|1,0,0]=4 32163 B12R1.28 CSCCCN1CCC[C@@H](C1)F 274a8102b8685e25c3fc532f7e0a148e [0,2,0,1,0,0|1,0,0]=4 32164 B12R1.28 CSCCCN1CCC[C@@H](C1)O d8aa7ff01c662af85e3409ce070afab1 [0,2,0,1,0,0|1,0,0]=4 32165 B12R1.28 CSCCCN1CCC[C@H](C1)C 2cea2aa70140d753e072d232cea0aae1 [0,2,0,1,0,0|1,0,0]=4 32166 B12R1.28 CSCCCN1CCC[C@H](C1)F 6f049edc877dea9ef4ae237f6e13ca61 [0,2,0,1,0,0|1,0,0]=4 32167 B12R1.28 CSCCCN1CCC[C@H](C1)O 4de7e40ef50db7c5f017e8c77a2ffbeb [0,2,0,1,0,0|1,0,0]=4 32168 B12R1.28 CSCCOC1C=C(CCC1)C 5c7a6bcf80c7e5d5428f06a075100d61 [0,2,0,1,0,0|1,0,0]=4 32169 B12R1.28 CSCCOC1CCCC(=O)C1 875ef6ea693168c97b4f53830bebc762 [0,2,0,1,0,0|1,0,0]=4 32170 B12R1.28 CSCCOC1CCCC(C1)C 3a5a998eed97ab23685fcedeb50d6a21 [0,2,0,1,0,0|1,0,0]=4 32171 B12R1.28 CSCCOC1CCCN(C1)C 64d83da353906d35d98827053d3eb83c [0,2,0,1,0,0|1,0,0]=4 32172 B12R1.28 CSCCOC1CCOC(C1)C c76ca27db50c106858e714c2c9c1c0e7 [0,2,0,1,0,0|1,0,0]=4 32173 B12R1.28 CSCCO[C@@H]1CCCN(C1)C 471dec9660fec63c317d05068540a4f0 [0,2,0,1,0,0|1,0,0]=4 32174 B12R1.28 CSCCO[C@@H]1CCC[C@@H](C1)C 053314813bf239509ea17abbdf6e7add [0,2,0,1,0,0|1,0,0]=4 32175 B12R1.28 CSCCO[C@@H]1CCO[C@@H](C1)C a57b3bdf21dc1c93bac7368a3d292027 [0,2,0,1,0,0|1,0,0]=4 32176 B12R1.28 CSCCO[C@@H]1CCO[C@H](C1)C d2e44574fabd5a8bba3249c02483ab29 [0,2,0,1,0,0|1,0,0]=4 32177 B12R1.28 CSCCO[C@H]1CCCN(C1)C 49ba08093d743ec5745453f5d4ebb89c [0,2,0,1,0,0|1,0,0]=4 32178 B12R1.28 CSCCO[C@H]1CCC[C@@H](C1)C 762b90c3f619d909aa923f77f04c1ea1 [0,2,0,1,0,0|1,0,0]=4 32179 B12R1.28 CSCCO[C@H]1CCC[C@H](C1)C d42e1daad32bbb6104e1982adf97aea8 [0,2,0,1,0,0|1,0,0]=4 32180 B12R1.28 CSCCO[C@H]1CCO[C@@H](C1)C fe0890b216d64960ad7e2396c2843407 [0,2,0,1,0,0|1,0,0]=4 32181 B12R1.28 CSCCO[C@H]1CCO[C@H](C1)C e5d1e84e2cc8a1dae3672eb57cee99ce [0,2,0,1,0,0|1,0,0]=4 32182 B12R1.28 C[C@@H]1CCCN(C1)CCCCF b8bd51f616deb4a7939fa0d08dd7b8cd [0,2,0,1,0,0|1,0,0]=4 32183 B12R1.28 C[C@@H]1CCCN(C1)CCCCO 920178349f341f96619b8f2d38164dfc [0,2,0,1,0,0|1,0,0]=4 32184 B12R1.28 C[C@@H]1CCC[C@@H](C1)OCCCF 9c53ca013fd210262ca0b94220bb997c [0,2,0,1,0,0|1,0,0]=4 32185 B12R1.28 C[C@@H]1CCC[C@@H](C1)OCCCS 138de1eab0fbea681c2b8f330784c2fc [0,2,0,1,0,0|1,0,0]=4 32186 B12R1.28 C[C@@H]1C[C@@H](CCO1)OCCCF 39e2fcd3a222694b6d709daf6caaeb6c [0,2,0,1,0,0|1,0,0]=4 32187 B12R1.28 C[C@@H]1C[C@@H](CCO1)OCCCS d1095b95752e8dd3bb540079139c212e [0,2,0,1,0,0|1,0,0]=4 32188 B12R1.28 C[C@@H]1C[C@H](CCO1)OCCCF 814b8ef4bdf352d722c1c2beb02d5090 [0,2,0,1,0,0|1,0,0]=4 32189 B12R1.28 C[C@@H]1C[C@H](CCO1)OCCCS 8368a671567d2813bc4dfa76ed40257f [0,2,0,1,0,0|1,0,0]=4 32190 B12R1.28 C[C@H]1CCCN(C1)CCCCF d9933f9075f6edf42ba7ca59de6a429a [0,2,0,1,0,0|1,0,0]=4 32191 B12R1.28 C[C@H]1CCCN(C1)CCCCO 0f5b2bddd966e84e0f4860fcc94f5459 [0,2,0,1,0,0|1,0,0]=4 32192 B12R1.28 C[C@H]1CCC[C@@H](C1)OCCCF fe174dd25d7be2d228cb280e4f42faa3 [0,2,0,1,0,0|1,0,0]=4 32193 B12R1.28 C[C@H]1CCC[C@@H](C1)OCCCS 2a345a07c92d87b28625f418fd5c2c1b [0,2,0,1,0,0|1,0,0]=4 32194 B12R1.28 C[C@H]1CCC[C@H](C1)OCCCF bed3edf03c5cde5cffb71e670d8f25a6 [0,2,0,1,0,0|1,0,0]=4 32195 B12R1.28 C[C@H]1CCC[C@H](C1)OCCCS 799159c7dac9d80c44d5fd04d90e3dc1 [0,2,0,1,0,0|1,0,0]=4 32196 B12R1.28 C[C@H]1C[C@@H](CCO1)OCCCF 7485c130a716d11bbe9d8f8c6eed2700 [0,2,0,1,0,0|1,0,0]=4 32197 B12R1.28 C[C@H]1C[C@@H](CCO1)OCCCS dc3af0b0f10f37af0f79fe7e154a0b75 [0,2,0,1,0,0|1,0,0]=4 32198 B12R1.28 C[C@H]1C[C@H](CCO1)OCCCF e671a0ebb9b13eae9a0611cca279e256 [0,2,0,1,0,0|1,0,0]=4 32199 B12R1.28 C[C@H]1C[C@H](CCO1)OCCCS 1eb01d8df4b2c854c5c8d9cc19c141ab [0,2,0,1,0,0|1,0,0]=4 32200 B12R1.28 FCCCCN1CCCC(C1)F 3d4c6024e40ecf6272a90747f83556a3 [0,2,0,1,0,0|1,0,0]=4 32201 B12R1.28 FCCCCN1CCC[C@@H](C1)F 89e5eedc98b6a95f291f106a3f5feeca [0,2,0,1,0,0|1,0,0]=4 32202 B12R1.28 FCCCCN1CCC[C@H](C1)F 1a39e5e602c3838dbd6422f3e6c284bf [0,2,0,1,0,0|1,0,0]=4 32203 B12R1.28 O=C1CCCC(C1)OCCCF 6593c92253b7cb7fb0095b40afaebc86 [0,2,0,1,0,0|1,0,0]=4 32204 B12R1.28 O=C1CCCC(C1)OCCCS 195d2ba0a4094d0dfbce91aa7894b894 [0,2,0,1,0,0|1,0,0]=4 32205 B12R1.28 OC1CCCN(C1)CCCCF a80d4020e5e5d19d0b9301ee22bd9975 [0,2,0,1,0,0|1,0,0]=4 32206 B12R1.28 OCCCCN1CCCC(C1)F b6b507842c1c94d1bc5ffadefa6ca547 [0,2,0,1,0,0|1,0,0]=4 32207 B12R1.28 OCCCCN1CCCC(C1)O 479902a2eb1944f9fab9f8bf0ace4c5e [0,2,0,1,0,0|1,0,0]=4 32208 B12R1.28 OCCCCN1CCC[C@@H](C1)F 97944fb7115f5428fe6815797cf1aa8f [0,2,0,1,0,0|1,0,0]=4 32209 B12R1.28 OCCCCN1CCC[C@@H](C1)O fa8742aac9088f600d053f7d3a26e744 [0,2,0,1,0,0|1,0,0]=4 32210 B12R1.28 OCCCCN1CCC[C@H](C1)F 26b0f61dba9782bd869a974a7a752d9e [0,2,0,1,0,0|1,0,0]=4 32211 B12R1.28 OCCCCN1CCC[C@H](C1)O 92015a34ca873b0d85bf36ad7676b4a8 [0,2,0,1,0,0|1,0,0]=4 32212 B12R1.28 O[C@@H]1CCCN(C1)CCCCF e804c6832b9c70c7c69cdba9c997d9ae [0,2,0,1,0,0|1,0,0]=4 32213 B12R1.28 O[C@H]1CCCN(C1)CCCCF 05463e166e4b0887945836698537d083 [0,2,0,1,0,0|1,0,0]=4 32214 B12R1.32 CC(CCO)NC1CCCCO1 a7ba6f5e2dd14ef07936de88b7379075 [0,2,0,1,0,0|1,0,0]=4 32215 B12R1.32 CCCC(=S)OC1CCCCC1 052dfad4b5172ffbcf806d81aaa08654 [0,2,0,1,0,0|0,0,1]=4 32216 B12R1.32 CCCC(=S)OC1CCCCO1 340a0f5428dbc093119df15d9300674d [0,2,0,1,0,0|0,0,1]=4 32217 B12R1.32 CCCC(=S)OC1CCCOC1 116116d530abcf3fbd9a017c1fa50468 [0,2,0,1,0,0|0,0,1]=4 32218 B12R1.32 CCCC(=S)OC1CCOCC1 d88820189a5e921771b39c12b75b929b [0,2,0,1,0,0|0,0,1]=4 32219 B12R1.32 CCCC(=S)OC1CCSCC1 3cb7109ba54f2189e5fe89b900282b64 [0,2,0,1,0,0|0,0,1]=4 32220 B12R1.32 CCCC(C)CN1CCCOC1 0186f42382729ef6546dde197522989b [0,2,0,1,0,0|1,0,0]=4 32221 B12R1.32 CCCC(C)CN1CCCSC1 8a0af97466a8c977b6cebb74286c2a12 [0,2,0,1,0,0|1,0,0]=4 32222 B12R1.32 CCCC(C)CN1CCOCC1 92598c51e317d93e2e41c2b84b8a8abb [0,2,0,1,0,0|1,0,0]=4 32223 B12R1.32 CCCC(C)CN1CCSCC1 4aed156fd0fb321b67270497ff96f79d [0,2,0,1,0,0|1,0,0]=4 32224 B12R1.32 CCCC(C)NC1CCCCC1 fd6b330aa94d12dd45e1ac084e5673e7 [0,2,0,1,0,0|1,0,0]=4 32225 B12R1.32 CCCC(C)NC1CCCCO1 96b3fadc0ede4c64ab0151e31ce9d459 [0,2,0,1,0,0|0,0,0]=3 32226 B12R1.32 CCCC(C)NC1CCCOC1 c26045f6aa0e6d3e8c8d925d198342de [0,2,0,1,0,0|1,0,0]=4 32227 B12R1.32 CCCC(C)NC1CCOCC1 adb0a34b5e0fc15394a3fd16417e74bd [0,2,0,1,0,0|1,0,0]=4 32228 B12R1.32 CCCC(C)NC1CCSCC1 8aca8f7cd2293a058cb409638352b29d [0,2,0,1,0,0|1,0,0]=4 32229 B12R1.32 CCCC(C)N[C@@H]1CCCOC1 e09ece321aec563dc522b0830992f572 [0,2,0,1,0,0|1,0,0]=4 32230 B12R1.32 CCCC(C)N[C@H]1CCCOC1 0a021fd76a5479a8aaceb3e3eea9a0cf [0,2,0,1,0,0|1,0,0]=4 32231 B12R1.32 CCCC(C)OC1C=CCCC1 47d7c740485c597271b39f8fa5965721 [0,2,0,1,0,0|0,0,1]=4 32232 B12R1.32 CCCC(C)OC1CC=CCC1 f15094d2530c2ec1537f491b4684b9d4 [0,2,0,1,0,0|0,0,1]=4 32233 B12R1.32 CCCC(C)OC1CCCCC1 421ec06f6239802e61e95aa5c2ba8491 [0,2,0,1,0,0|0,0,0]=3 32234 B12R1.32 CCCC(C)OC1CCCCO1 7b43abb64fce02bc6b9307b7cf4f459e [0,2,0,1,0,0|0,0,0]=3 32235 B12R1.32 CCCC(C)OC1CCCOC1 cdf31c4b692c834029e87b66c6440262 [0,2,0,1,0,0|0,0,0]=3 32236 B12R1.32 CCCC(C)OC1CCCSC1 2677329b1a3638e36c235defe3685b6c [0,2,0,1,0,0|0,0,0]=3 32237 B12R1.32 CCCC(C)OC1CCOCC1 be25720403b39ecb8a59dbcb9f1f70d7 [0,2,0,1,0,0|0,0,0]=3 32238 B12R1.32 CCCC(C)OC1CCSCC1 3fa7701469f7c29780674338ab3a7f3e [0,2,0,1,0,0|0,0,0]=3 32239 B12R1.32 CCCC(C)O[C@@H]1CCCOC1 4ba6678d835830035bd4960f48bde569 [0,2,0,1,0,0|0,0,0]=3 32240 B12R1.32 CCCC(C)O[C@H]1CCCOC1 65a78fdb58054f881e0e0d8825bd74d9 [0,2,0,1,0,0|0,0,0]=3 32241 B12R1.32 CCCN(C)CC1CCCCC1 c73114abdeacf9657d214a90a6d7b8d7 [0,2,0,1,0,0|1,0,0]=4 32242 B12R1.32 CCCN(C)CC1CCCCO1 d1388d045e20a997ccdff1b08d5d1c9f [0,2,0,1,0,0|0,0,0]=3 32243 B12R1.32 CCCN(C)CC1COCCO1 6a7f895586e3fb1a47d3f460da106772 [0,2,0,1,0,0|1,0,0]=4 32244 B12R1.32 CCCN(C)C[C@@H]1COCCO1 fe7100741eaf4b1c6ba42edb23384bbb [0,2,0,1,0,0|1,0,0]=4 32245 B12R1.32 CCC[C@@H](C)OC1C=CCCC1 8df669f19e61877f65bd7792a037e832 [0,2,0,1,0,0|0,0,1]=4 32246 B12R1.32 CCC[C@@H](C)OC1CCCCC1 0908953637e9ad99eed05a6ba5f9fd49 [0,2,0,1,0,0|0,0,0]=3 32247 B12R1.32 CCC[C@@H](C)OC1CCCCO1 00c964e0e50416f20373a258c181f5da [0,2,0,1,0,0|0,0,0]=3 32248 B12R1.32 CCC[C@@H](C)OC1CCCOC1 b5a4cb3870440a645b13c1afbf18fcf5 [0,2,0,1,0,0|0,0,0]=3 32249 B12R1.32 CCC[C@@H](C)OC1CCOCC1 7f4f54db3bbb6a70e5a83e6126dfc2cd [0,2,0,1,0,0|0,0,0]=3 32250 B12R1.32 CCC[C@H](C)NC1CCCCC1 31d714bbfcf22d75b3d339da0ed0a22c [0,2,0,1,0,0|1,0,0]=4 32251 B12R1.32 CCC[C@H](C)NC1CCCCO1 3903759fd43be71297ce7e787292b0a3 [0,2,0,1,0,0|0,0,0]=3 32252 B12R1.32 CCC[C@H](C)NC1CCCOC1 842a54992f017be7c208578df203ebd8 [0,2,0,1,0,0|1,0,0]=4 32253 B12R1.32 CCC[C@H](C)NC1CCOCC1 1ebfc0863b7810d5d6485f9ee15773d0 [0,2,0,1,0,0|1,0,0]=4 32254 B12R1.32 CCC[C@H](C)OC1C=CCCC1 cf4822d9a651fe8aff01ed7cc7a9a8c9 [0,2,0,1,0,0|0,0,1]=4 32255 B12R1.32 CCC[C@H](C)OC1CCCCC1 548925c9b78c86f3c2d2710661e0cefc [0,2,0,1,0,0|0,0,0]=3 32256 B12R1.32 CCC[C@H](C)OC1CCCCO1 a8e121ee96425e0c8b10074314ba7370 [0,2,0,1,0,0|0,0,0]=3 32257 B12R1.32 CCC[C@H](C)OC1CCCOC1 fcaba58844fb5234c7d59de39a3ba450 [0,2,0,1,0,0|0,0,0]=3 32258 B12R1.32 CCC[C@H](C)OC1CCOCC1 736cc675ace42dcd983e624e5f4cae89 [0,2,0,1,0,0|0,0,0]=3 32259 B12R1.32 CCNC(C)CC1CCCCC1 0644425dd104fbebd6567f2717eec2f5 [0,2,0,1,0,0|1,0,0]=4 32260 B12R1.32 CCNC(C)CN1CCCCC1 ad2750a1228907bd03560a1cdb9b673f [0,2,0,1,0,0|1,0,0]=4 32261 B12R1.32 CCOC(C)CN1CCCCC1 cf995969494621930c0c125372962fb0 [0,2,0,1,0,0|1,0,0]=4 32262 B12R1.32 CN(CCF)CC1CCCCO1 0fdf4a5e6ccd2601c0cbea7ce21d3801 [0,2,0,1,0,0|1,0,0]=4 32263 B12R1.32 CN(CCO)CC1CCCCO1 2b628890c92bd3eadf102726bb515ebf [0,2,0,1,0,0|1,0,0]=4 32264 B12R1.32 CN(CCS)CC1CCCCO1 d7dbfd4bcd7acdc08e6e57a44b359220 [0,2,0,1,0,0|1,0,0]=4 32265 B12R1.32 COCC(C)NC1CCCCO1 8a006df5147a21f6847aa566aca710dc [0,2,0,1,0,0|1,0,0]=4 32266 B12R1.32 COCC(C)OC1CCCCC1 ac2d5a39369fa329afcc0c1c5aa1bc23 [0,2,0,1,0,0|1,0,0]=4 32267 B12R1.32 COCC(C)OC1CCCCO1 a9f3dd81258b064cc0b2b47c28066bc6 [0,2,0,1,0,0|1,0,0]=4 32268 B12R1.32 COCC(C)OC1CCCOC1 cc24458ed24dd5996429733021e50147 [0,2,0,1,0,0|1,0,0]=4 32269 B12R1.32 COCC(C)OC1CCCSC1 259770aeb39c660e65c6f3fbda46f2ca [0,2,0,1,0,0|1,0,0]=4 32270 B12R1.32 COCC(C)OC1CCOCC1 3ea8d04becc9607c9fdcf8dbe20f98ee [0,2,0,1,0,0|1,0,0]=4 32271 B12R1.32 COCC(C)OC1CCSCC1 4dbca65adcac762cac28c64a50360e9e [0,2,0,1,0,0|1,0,0]=4 32272 B12R1.32 COCC(C)O[C@@H]1CCCOC1 bbea854d0045fe62ab1945879e955b1f [0,2,0,1,0,0|1,0,0]=4 32273 B12R1.32 COCC(C)O[C@H]1CCCOC1 d0224777906db286c2da6eb81a0b0095 [0,2,0,1,0,0|1,0,0]=4 32274 B12R1.32 COCN(C)CC1CCCCO1 40e556bb551b2540cddd9eb51db07936 [0,2,0,1,0,0|1,0,0]=4 32275 B12R1.32 COC[C@@H](C)NC1CCCCO1 0f251cf32334e2700116d68ef7ec593a [0,2,0,1,0,0|1,0,0]=4 32276 B12R1.32 COC[C@@H](C)OC1CCCCC1 b50e912cd83c5243362a9acb8f05b35b [0,2,0,1,0,0|1,0,0]=4 32277 B12R1.32 COC[C@@H](C)OC1CCCCO1 3cf07b94ae01328e2456b401f07f5e52 [0,2,0,1,0,0|1,0,0]=4 32278 B12R1.32 COC[C@@H](C)OC1CCCOC1 43dd9ac7b448e3458e481235b95bb02c [0,2,0,1,0,0|1,0,0]=4 32279 B12R1.32 COC[C@@H](C)OC1CCOCC1 5d47f8e2557a4dd03a514a6279281ab2 [0,2,0,1,0,0|1,0,0]=4 32280 B12R1.32 COC[C@@H](C)OC1CCSCC1 d88ff66f98d8d2cd836cf3ad795c28cd [0,2,0,1,0,0|1,0,0]=4 32281 B12R1.32 COC[C@H](C)NC1CCCCO1 f395ac9dba02dfa48dd95af318e6665a [0,2,0,1,0,0|1,0,0]=4 32282 B12R1.32 COC[C@H](C)OC1CCCCC1 3ae53a8924dfad98a083fe7a33909e46 [0,2,0,1,0,0|1,0,0]=4 32283 B12R1.32 COC[C@H](C)OC1CCCCO1 38f7d34dbcd5072f54d79ab00971ab6f [0,2,0,1,0,0|1,0,0]=4 32284 B12R1.32 COC[C@H](C)OC1CCCOC1 1acac3fccf489418a92e8a70feadb18c [0,2,0,1,0,0|1,0,0]=4 32285 B12R1.32 COC[C@H](C)OC1CCOCC1 f822f1c54be727861e9879f44692f48b [0,2,0,1,0,0|1,0,0]=4 32286 B12R1.32 COC[C@H](C)OC1CCSCC1 1a70e241b81aa2077fb59a6e9ff875b6 [0,2,0,1,0,0|1,0,0]=4 32287 B12R1.32 CSCC(C)OC1CCCCC1 ff2688980389e235e97e2b84462bbb7b [0,2,0,1,0,0|1,0,0]=4 32288 B12R1.32 CSCC(C)OC1CCCCO1 37c12be94a61b795ce21149b2295bf51 [0,2,0,1,0,0|1,0,0]=4 32289 B12R1.32 CSCC(C)OC1CCOCC1 1376b2fe40def80500200043ac319a3e [0,2,0,1,0,0|1,0,0]=4 32290 B12R1.32 CSCN(C)CC1CCCCO1 65509ad5bb9bfd0c28365a448ef8f3fa [0,2,0,1,0,0|1,0,0]=4 32291 B12R1.32 C[C@@H](CCO)NC1CCCCO1 6ba8559f7dbf5959d8c672482264e969 [0,2,0,1,0,0|1,0,0]=4 32292 B12R1.32 C[C@H](CCO)NC1CCCCO1 19a72ce0ea0e060ba11568f38fd92b4f [0,2,0,1,0,0|1,0,0]=4 32293 B12R1.37 BrCCNCCCC1CCCC1 387e938adb2b22a38d1a97f0e2797a0e [0,2,0,1,0,0|1,0,0]=4 32294 B12R1.37 BrCCNCCCN1CCCC1 3bc3ae56886a1bffcc5ebc12065e9f9b [0,2,0,1,0,0|1,0,0]=4 32295 B12R1.37 BrCCNCCOC1CCOC1 d02ff96bdab563bbf48843abc09ef299 [0,2,0,1,0,0|1,0,0]=4 32296 B12R1.37 C#CCCCCNC1CCCC1 284aaab6137c3c2ca502baa4ccc55b59 [0,2,0,1,0,0|1,0,0]=4 32297 B12R1.37 C#CCCCCOC1CCCC1 41818f42eaf06340596080f044f8a659 [0,2,0,1,0,0|0,0,0]=3 32298 B12R1.37 C#CCCCCOC1CCCO1 719031a2d7f7ce251a0c217048d6a32f [0,2,0,1,0,0|0,0,1]=4 32299 B12R1.37 C#CCCCCOC1CCOC1 e0964c38530e0e82a473a602dadc400c [0,2,0,1,0,0|0,0,1]=4 32300 B12R1.37 C#CCCCCOC1CCSC1 3a26f696cf9fe43ac3f34d6549d1fcf2 [0,2,0,1,0,0|0,0,1]=4 32301 B12R1.37 C#CCCCCO[C@@H]1CCOC1 f2289a609c016e542aaaeb687b12fbb6 [0,2,0,1,0,0|0,0,1]=4 32302 B12R1.37 C#CCCCCO[C@@H]1CCSC1 b3bd6207f484d17238a03a2018f9bd7e [0,2,0,1,0,0|0,0,1]=4 32303 B12R1.37 C#CCCCCO[C@H]1CCOC1 5cb077bbdc385dc69b51e04283242445 [0,2,0,1,0,0|0,0,1]=4 32304 B12R1.37 C#CCCCCO[C@H]1CCSC1 75f9fb21149827521e5d8b66de8cd807 [0,2,0,1,0,0|0,0,1]=4 32305 B12R1.37 C#CCCCOCC1CCCC1 c377279ba73c1ab16222416e8662b663 [0,2,0,1,0,0|0,0,1]=4 32306 B12R1.37 C#CCCCOCC1CCCO1 5148d086e4d1baa7aca3eea8e4d031ab [0,2,0,1,0,0|0,0,1]=4 32307 B12R1.37 C#CCCCOCC1CCCS1 88881c152c2c1eb7f0c5802f7cdc6729 [0,2,0,1,0,0|0,0,1]=4 32308 B12R1.37 C#CCCCOCC1CCOC1 4eb0bec7eef4cb6593b4785f040dc04c [0,2,0,1,0,0|0,0,1]=4 32309 B12R1.37 C#CCCCOCN1CCCC1 c610da0d45a4dd8143254d9018797d7f [0,2,0,1,0,0|0,0,1]=4 32310 B12R1.37 C#CCCCOC[C@@H]1CCCO1 5aec166a471c4ec8cf2435ceb5ad50d5 [0,2,0,1,0,0|0,0,1]=4 32311 B12R1.37 C#CCCCOC[C@@H]1CCOC1 4c8380e8d7207b699f025939071454fd [0,2,0,1,0,0|0,0,1]=4 32312 B12R1.37 C#CCCCOC[C@H]1CCCO1 0dd7dfdc29b8caa982cd8d0c848ff85c [0,2,0,1,0,0|0,0,1]=4 32313 B12R1.37 C#CCCCOC[C@H]1CCOC1 ca616729dc6a55dd935ea1044d2f3b00 [0,2,0,1,0,0|0,0,1]=4 32314 B12R1.37 C#CCNCCOC1CCCC1 76addd5d4aa7b821ac0241985d8212c8 [0,2,0,1,0,0|0,0,1]=4 32315 B12R1.37 C#CCOCCOC1CCCC1 d5652044bc4dbbed213942955e5b6081 [0,2,0,1,0,0|0,0,1]=4 32316 B12R1.37 C/C=C/CCCOC1CCCC1 123a403f1a9541e231f19ff8b6c80fc3 [0,2,0,1,0,0|0,0,0]=3 32317 B12R1.37 C/C=C/CCCOC1CCOC1 9ab97eb38e93ab23441c2212577561c2 [0,2,0,1,0,0|0,0,1]=4 32318 B12R1.37 C/C=C/CCCO[C@@H]1CCOC1 2af13a593c214cb936c88fa1344bf76f [0,2,0,1,0,0|0,0,1]=4 32319 B12R1.37 C/C=C/CCCO[C@H]1CCOC1 8f8c9f00f2d2624a784c566a8d537169 [0,2,0,1,0,0|0,0,1]=4 32320 B12R1.37 C/C=C/CCOCC1CCCC1 6eb26e3ffba19746e46d7cf8dd8f39f2 [0,2,0,1,0,0|0,0,1]=4 32321 B12R1.37 C/C=C/CCOCC1CCCO1 c11771112b5b3b5f520bf642deca2c15 [0,2,0,1,0,0|0,0,1]=4 32322 B12R1.37 C/C=C/CCOCC1CCOC1 6eb22fd5ce73e87ba91f15aa5953e02e [0,2,0,1,0,0|0,0,1]=4 32323 B12R1.37 C/C=C\CCCNC1CCCC1 635c96d7837c600fd9fc8a562a2394d7 [0,2,0,1,0,0|1,0,0]=4 32324 B12R1.37 C/C=C\CCCOC1CCCC1 e2e5ebb139e69fa7c63dfd9ca8a42941 [0,2,0,1,0,0|0,0,0]=3 32325 B12R1.37 C/C=C\CCCOC1CCCO1 734d07f2047b6d4a1fb6ba2148ccb1ad [0,2,0,1,0,0|0,0,1]=4 32326 B12R1.37 C/C=C\CCCOC1CCOC1 66b9ee114d535c5d7f093a90caaa47ab [0,2,0,1,0,0|0,0,1]=4 32327 B12R1.37 C/C=C\CCCOC1CCSC1 d86b77319b652b4bc834155621f454bc [0,2,0,1,0,0|0,0,1]=4 32328 B12R1.37 C/C=C\CCCO[C@@H]1CCOC1 20b2d126c43a0468f0c9f556e92f13b7 [0,2,0,1,0,0|0,0,1]=4 32329 B12R1.37 C/C=C\CCCO[C@@H]1CCSC1 e1845df92510538f6a888d95900beeec [0,2,0,1,0,0|0,0,1]=4 32330 B12R1.37 C/C=C\CCCO[C@H]1CCOC1 fc511247aa4c8c8d1e6284a89d1f9f26 [0,2,0,1,0,0|0,0,1]=4 32331 B12R1.37 C/C=C\CCCO[C@H]1CCSC1 a687c47ae8c37739221a692bb55cbf0b [0,2,0,1,0,0|0,0,1]=4 32332 B12R1.37 C=CCCCCNC1CCCC1 4a77901b8d51b56118473320c566647c [0,2,0,1,0,0|1,0,0]=4 32333 B12R1.37 C=CCCCCOC1CCCC1 b4cbdeeb1f9e3ae593dbe37a611afe1e [0,2,0,1,0,0|0,0,0]=3 32334 B12R1.37 C=CCCCCOC1CCCO1 a0492b461505a560a33d1c4c0bc46c7a [0,2,0,1,0,0|0,0,1]=4 32335 B12R1.37 C=CCCCCOC1CCOC1 a6d49f689108fa9987964b5559ee6cbd [0,2,0,1,0,0|0,0,1]=4 32336 B12R1.37 C=CCCCCOC1CCSC1 95fa72a0b8392f9f50b69d53ec10c91b [0,2,0,1,0,0|0,0,1]=4 32337 B12R1.37 C=CCCCCO[C@@H]1CCOC1 2c9dd67cda71cc7a0bd40c8bfcbcd2c3 [0,2,0,1,0,0|0,0,1]=4 32338 B12R1.37 C=CCCCCO[C@@H]1CCSC1 bae8ae6295bb71b523ca0b9f94fe3f7d [0,2,0,1,0,0|0,0,1]=4 32339 B12R1.37 C=CCCCCO[C@H]1CCOC1 9488142f148e46ddfb0f8609441dcacf [0,2,0,1,0,0|0,0,1]=4 32340 B12R1.37 C=CCCCCO[C@H]1CCSC1 066c4337cec5907e07c931b681d0ff19 [0,2,0,1,0,0|0,0,1]=4 32341 B12R1.37 C=CCCCOCC1CCCC1 cd7db999700db14370360a61d73441f6 [0,2,0,1,0,0|0,0,1]=4 32342 B12R1.37 C=CCCCOCC1CCCO1 4d43f8586070cb712c3b1ec03a73d7dd [0,2,0,1,0,0|0,0,1]=4 32343 B12R1.37 C=CCCCOCC1CCCS1 797d5a3f1daa3b5d879ce4cfd09914c0 [0,2,0,1,0,0|0,0,1]=4 32344 B12R1.37 C=CCCCOCC1CCOC1 2612e0469e1ece81941ce761f88cfaa4 [0,2,0,1,0,0|0,0,1]=4 32345 B12R1.37 C=CCCCOCN1CCCC1 f8eb9176b7c6ccb599942a71f31bb3a7 [0,2,0,1,0,0|0,0,1]=4 32346 B12R1.37 C=CCCCOC[C@@H]1CCCO1 41d645c7ac9c931d11810074f097cc31 [0,2,0,1,0,0|0,0,1]=4 32347 B12R1.37 C=CCCCOC[C@@H]1CCOC1 97a8f95bc20f4562a2d4a22cf1b7e7f3 [0,2,0,1,0,0|0,0,1]=4 32348 B12R1.37 C=CCCCOC[C@H]1CCCO1 275b343b03b11c73a377ed45154b5abf [0,2,0,1,0,0|0,0,1]=4 32349 B12R1.37 C=CCCCOC[C@H]1CCOC1 86139563bc7df434a2ab01f3b6511071 [0,2,0,1,0,0|0,0,1]=4 32350 B12R1.37 C=CCNCCOC1CCCC1 a9769160a1e6530ac833b9c7795a283f [0,2,0,1,0,0|0,0,1]=4 32351 B12R1.37 C=CCOCCOC1CCCC1 7ccd15a57d38ba12b8f592d55c0c8e83 [0,2,0,1,0,0|0,0,1]=4 32352 B12R1.37 CC#CCCCOC1CCCC1 f4528054675d5eefd92f98cfa64ede44 [0,2,0,1,0,0|0,0,0]=3 32353 B12R1.37 CC#CCCCOC1CCOC1 a42b34994fbfab2155df707340c92219 [0,2,0,1,0,0|0,0,1]=4 32354 B12R1.37 CC#CCCCO[C@@H]1CCOC1 24b62f8896b5e78c66a4911ed5419350 [0,2,0,1,0,0|0,0,1]=4 32355 B12R1.37 CC#CCCCO[C@H]1CCOC1 e9b584799c6d63ea3543b2c7c2403d7e [0,2,0,1,0,0|0,0,1]=4 32356 B12R1.37 CC#CCCOCC1CCCC1 0212c4bef5df62131e8d3705bfb0de77 [0,2,0,1,0,0|0,0,1]=4 32357 B12R1.37 CC#CCCOCC1CCCO1 4aa28554dda6418da535697729e625c1 [0,2,0,1,0,0|0,0,1]=4 32358 B12R1.37 CC#CCCOCC1CCOC1 40828a506fe15c6eb34c10f2c55a4cc2 [0,2,0,1,0,0|0,0,1]=4 32359 B12R1.37 CC/C=C/CCOC1CCCC1 ddcd652bd1d83f24d68ba31d077aa1e0 [0,2,0,1,0,0|0,0,0]=3 32360 B12R1.37 CC/C=C/CCOC1CCOC1 e71a62ce6e40c42916357f3beb14d861 [0,2,0,1,0,0|0,0,1]=4 32361 B12R1.37 CC/C=C/CCO[C@@H]1CCOC1 572c6c7203a5e9d8df98fa156d85dcda [0,2,0,1,0,0|0,0,1]=4 32362 B12R1.37 CC/C=C/CCO[C@H]1CCOC1 294ff299dbdaaa385d929647c0b694f0 [0,2,0,1,0,0|0,0,1]=4 32363 B12R1.37 CC/C=C/COCC1CCCC1 d12b0ac75363f47b5bbb385caa470a7b [0,2,0,1,0,0|0,0,1]=4 32364 B12R1.37 CC/C=C/COCC1CCCO1 d7d7367adf93910f5a906d129ee7d0bb [0,2,0,1,0,0|0,0,1]=4 32365 B12R1.37 CC/C=C/COCC1CCCS1 b3f7ac86b2d6353c5e83ae9db2be0b0e [0,2,0,1,0,0|0,0,1]=4 32366 B12R1.37 CC/C=C/COCC1CCOC1 235460201c1a70417300d4876ebadb19 [0,2,0,1,0,0|0,0,1]=4 32367 B12R1.37 CC/C=C/COCN1CCCC1 0af140a777a2cf491aa1034bd6621f39 [0,2,0,1,0,0|0,0,1]=4 32368 B12R1.37 CC/C=C/COC[C@@H]1CCCO1 309e4228ff61098cbb59dad693b6d850 [0,2,0,1,0,0|0,0,1]=4 32369 B12R1.37 CC/C=C/COC[C@@H]1CCOC1 009d40f1bfb7454f13c0eccff31f0bd1 [0,2,0,1,0,0|0,0,1]=4 32370 B12R1.37 CC/C=C/COC[C@H]1CCCO1 00ef88f1b0bcb7792509733af02d600e [0,2,0,1,0,0|0,0,1]=4 32371 B12R1.37 CC/C=C/COC[C@H]1CCOC1 e9136b57734ee721bc723879a7eae1a1 [0,2,0,1,0,0|0,0,1]=4 32372 B12R1.37 CC/C=C\CCNC1CCCC1 43ec2659d1850e69fc9e66343408bde1 [0,2,0,1,0,0|1,0,0]=4 32373 B12R1.37 CC/C=C\CCOC1CCCC1 6697c31ca6f1d37dedfede98e97cbc54 [0,2,0,1,0,0|0,0,0]=3 32374 B12R1.37 CC/C=C\CCOC1CCCO1 6e8584a96797af38114b7c67b2bf9a63 [0,2,0,1,0,0|0,0,1]=4 32375 B12R1.37 CC/C=C\CCOC1CCOC1 84a0e980d618b007b8ec839d82c5571e [0,2,0,1,0,0|0,0,1]=4 32376 B12R1.37 CC/C=C\CCOC1CCSC1 6941d240f20eae382b9fbfbde93c7bf1 [0,2,0,1,0,0|0,0,1]=4 32377 B12R1.37 CC/C=C\CCO[C@@H]1CCOC1 792eebefd512a71ef8cd02555a7fd0ee [0,2,0,1,0,0|0,0,1]=4 32378 B12R1.37 CC/C=C\CCO[C@@H]1CCSC1 230561fc84e8d6ea170786957ca4325b [0,2,0,1,0,0|0,0,1]=4 32379 B12R1.37 CC/C=C\CCO[C@H]1CCOC1 19c2e2a799fdc63b30cd31f35256abef [0,2,0,1,0,0|0,0,1]=4 32380 B12R1.37 CC/C=C\CCO[C@H]1CCSC1 f7d8fe5f50778d50d647ea5f48c7165c [0,2,0,1,0,0|0,0,1]=4 32381 B12R1.37 CC/C=C\COCC1CCCC1 b29f7a78a7e0b723f49700765c2cec03 [0,2,0,1,0,0|0,0,1]=4 32382 B12R1.37 CC/C=C\COCC1CCCO1 9989b156c7959f16480cee4c89e76e35 [0,2,0,1,0,0|0,0,1]=4 32383 B12R1.37 CC/C=C\COCC1CCOC1 6b60eac2527bcaf50300715bd10b4956 [0,2,0,1,0,0|0,0,1]=4 32384 B12R1.37 CC=C=CCCOC1CCCC1 9da26d917bd3cbf2305dc6d80f514040 [0,2,0,1,0,0|0,0,1]=4 32385 B12R1.37 CC=CCCCOC1CCCC1 590832ffcb1d7eb3464473d8a0668afd [0,2,0,1,0,0|0,0,0]=3 32386 B12R1.37 CC=CCCCOC1CCOC1 42ad7bae2cfb12e48e3833ee64d1af69 [0,2,0,1,0,0|0,0,1]=4 32387 B12R1.37 CC=CCCCO[C@@H]1CCOC1 b58fc7692e9d93310b1c6180441f45be [0,2,0,1,0,0|0,0,1]=4 32388 B12R1.37 CC=CCCCO[C@H]1CCOC1 c3b7ada1405c538c181f4f2178eaddcf [0,2,0,1,0,0|0,0,1]=4 32389 B12R1.37 CCC#CCCOC1CCCC1 4ba2cd55778c8fc2c7cf76e072ddbf00 [0,2,0,1,0,0|0,0,0]=3 32390 B12R1.37 CCC#CCCOC1CCOC1 7a5b05eaba0d26e0c338efb28e0f8a64 [0,2,0,1,0,0|0,0,1]=4 32391 B12R1.37 CCC#CCCO[C@@H]1CCOC1 88493a313776a3fd3b68b2f4befd8e13 [0,2,0,1,0,0|0,0,1]=4 32392 B12R1.37 CCC#CCCO[C@H]1CCOC1 3e45af89b0488949cfb74148f27997b2 [0,2,0,1,0,0|0,0,1]=4 32393 B12R1.37 CCC#CCOCC1CCCC1 6049a215cc6e7883ac615fa306f5728a [0,2,0,1,0,0|0,0,1]=4 32394 B12R1.37 CCC#CCOCC1CCCO1 3005f3dd343e98aa2df7b212f3af3600 [0,2,0,1,0,0|0,0,1]=4 32395 B12R1.37 CCC#CCOCC1CCOC1 9888ede01b6571ad9ca7552c2fe4c23f [0,2,0,1,0,0|0,0,1]=4 32396 B12R1.37 CCC#CCOC[C@@H]1CCCO1 5381a3e9d4ea15c58ff736e11802c2cd [0,2,0,1,0,0|0,0,1]=4 32397 B12R1.37 CCC#CCOC[C@@H]1CCOC1 e0fffa9957ac76917cb1ec4e493982ee [0,2,0,1,0,0|0,0,1]=4 32398 B12R1.37 CCC#CCOC[C@H]1CCCO1 44deec7afe46b4fc24b4d3109162b08d [0,2,0,1,0,0|0,0,1]=4 32399 B12R1.37 CCC#CCOC[C@H]1CCOC1 6e5bcee72e0bdde3b93d527ade043b99 [0,2,0,1,0,0|0,0,1]=4 32400 B12R1.37 CCC/C=C/CNC1CCCC1 7c36578571d67f512a4e314bca6c1811 [0,2,0,1,0,0|1,0,0]=4 32401 B12R1.37 CCC/C=C/COC1CCCC1 8c1091c2225f857a2c8e1429639ceba7 [0,2,0,1,0,0|0,0,0]=3 32402 B12R1.37 CCC/C=C/COC1CCCO1 6d97f1124ee2224f8491a08f1f39577d [0,2,0,1,0,0|0,0,1]=4 32403 B12R1.37 CCC/C=C/COC1CCOC1 c9296b9b94b2f2b5f0f5ab6be9ddca4b [0,2,0,1,0,0|0,0,1]=4 32404 B12R1.37 CCC/C=C/COC1CCSC1 830a0c5195ce66d2e046edeaf34a5aca [0,2,0,1,0,0|0,0,1]=4 32405 B12R1.37 CCC/C=C/CO[C@@H]1CCOC1 5edef4821c20795bad7a96f0f600a2dc [0,2,0,1,0,0|0,0,1]=4 32406 B12R1.37 CCC/C=C/CO[C@@H]1CCSC1 2524b9e9a89919a13b3b15885654f9ef [0,2,0,1,0,0|0,0,1]=4 32407 B12R1.37 CCC/C=C/CO[C@H]1CCOC1 b8cc510b27f784802ea66192b21290b8 [0,2,0,1,0,0|0,0,1]=4 32408 B12R1.37 CCC/C=C/CO[C@H]1CCSC1 1b819ced8e955ac753e01bef7f3f6a9f [0,2,0,1,0,0|0,0,1]=4 32409 B12R1.37 CCC/C=C\CNC1CCCC1 21a69538d502ab9772cedf5200e0a286 [0,2,0,1,0,0|1,0,0]=4 32410 B12R1.37 CCC/C=C\COC1CCCC1 b143435cc26d9b3ce055fa116c4103ee [0,2,0,1,0,0|0,0,0]=3 32411 B12R1.37 CCC/C=C\COC1CCCO1 1d552b079d711de490fecc8e36323b07 [0,2,0,1,0,0|0,0,1]=4 32412 B12R1.37 CCC/C=C\COC1CCOC1 34e89e6f0523c6782e679d387bbab959 [0,2,0,1,0,0|0,0,1]=4 32413 B12R1.37 CCC/C=C\COC1CCSC1 34d24fa6b64dd6137074778895cfd698 [0,2,0,1,0,0|0,0,1]=4 32414 B12R1.37 CCC/C=C\CO[C@@H]1CCOC1 845609b06ce0dfa85b606cc7e54518ed [0,2,0,1,0,0|0,0,1]=4 32415 B12R1.37 CCC/C=C\CO[C@@H]1CCSC1 9f7901761872c9e264faffe37f91f4c3 [0,2,0,1,0,0|0,0,1]=4 32416 B12R1.37 CCC/C=C\CO[C@H]1CCOC1 709b922019417c909e39d7e0f1e6918a [0,2,0,1,0,0|0,0,1]=4 32417 B12R1.37 CCC/C=C\CO[C@H]1CCSC1 26ad05a7bff71e74686e610515200aac [0,2,0,1,0,0|0,0,1]=4 32418 B12R1.37 CCCC#CCOC1CCCC1 93f610be6761e56ce7fb748df37a92c4 [0,2,0,1,0,0|0,0,0]=3 32419 B12R1.37 CCCC#CCOC1CCOC1 c0cfc62f144a5e0184170f1b44a971e0 [0,2,0,1,0,0|0,0,1]=4 32420 B12R1.37 CCCC#CCO[C@@H]1CCOC1 82f9ea865b9a946b8b696fb4e2ac5360 [0,2,0,1,0,0|0,0,1]=4 32421 B12R1.37 CCCC#CCO[C@H]1CCOC1 c854a2409aafd9a58a05f520e3122207 [0,2,0,1,0,0|0,0,1]=4 32422 B12R1.37 CCCCCCCN1CCSC1 d19956c8d5c4b0931805526ccc259ac5 [0,2,0,1,0,0|1,0,0]=4 32423 B12R1.37 CCCCCCNC1CCCC1 0a2afeaeb363174f39ac6fbfa4d778ce [0,2,0,1,0,0|1,0,0]=4 32424 B12R1.37 CCCCCCNC1CCOC1 de95a123db5396910539415f6d019576 [0,2,0,1,0,0|1,0,0]=4 32425 B12R1.37 CCCCCCNC1CCSC1 3388155aa1d8535c97b8a0bedd20acf6 [0,2,0,1,0,0|1,0,0]=4 32426 B12R1.37 CCCCCCN[C@@H]1CCOC1 79440df0f44fb9af6b3aca8cdc9b6985 [0,2,0,1,0,0|1,0,0]=4 32427 B12R1.37 CCCCCCN[C@H]1CCOC1 356c62cc0cc86fada0833b95e02b0313 [0,2,0,1,0,0|1,0,0]=4 32428 B12R1.37 CCCCCCOC1C=CCC1 fb6fe820ee5aec5830927b27a5042c99 [0,2,0,1,0,0|0,0,1]=4 32429 B12R1.37 CCCCCCOC1CC=CC1 3375c9eefd76fb28584eca49c8de788c [0,2,0,1,0,0|0,0,1]=4 32430 B12R1.37 CCCCCCOC1CCCC1 ad37668a338fb8b33c00afd23f72169f [0,2,0,1,0,0|0,0,0]=3 32431 B12R1.37 CCCCCCOC1CCCO1 a784d5baf1031429a7cb4335edc7e840 [0,2,0,1,0,0|0,0,0]=3 32432 B12R1.37 CCCCCCOC1CCOC1 4bc607016c1f338de2331d89094c49c4 [0,2,0,1,0,0|0,0,0]=3 32433 B12R1.37 CCCCCCOC1CCSC1 2d256de2201b4353382c12c770cd4cb5 [0,2,0,1,0,0|0,0,0]=3 32434 B12R1.37 CCCCCCO[C@@H]1CCOC1 0ac8782d994888a997e7fc3cc38bfde8 [0,2,0,1,0,0|0,0,0]=3 32435 B12R1.37 CCCCCCO[C@@H]1CCSC1 65eeb59acc6b453ca653c86a9cc48e84 [0,2,0,1,0,0|0,0,0]=3 32436 B12R1.37 CCCCCCO[C@H]1CCOC1 c4ffa9f584f60d601e426bf150595696 [0,2,0,1,0,0|0,0,0]=3 32437 B12R1.37 CCCCCCO[C@H]1CCSC1 bffbfcd05fe06213c13d89912aacc404 [0,2,0,1,0,0|0,0,0]=3 32438 B12R1.37 CCCCCNCC1CC=CC1 9fbb21bc4646147f71bb11794ac1ac60 [0,2,0,1,0,0|1,0,0]=4 32439 B12R1.37 CCCCCNCC1CCCC1 f76fc3fb06ec66dc806c7be3261784ca [0,2,0,1,0,0|1,0,0]=4 32440 B12R1.37 CCCCCNCC1CCCO1 58005a6250010bca29ca4950614fecfe [0,2,0,1,0,0|1,0,0]=4 32441 B12R1.37 CCCCCNCC1CCOC1 50471e214a91c95d4ebc43fb92b84a89 [0,2,0,1,0,0|1,0,0]=4 32442 B12R1.37 CCCCCNC[C@@H]1CCCO1 885a217390b70505aae0de281c0c18f9 [0,2,0,1,0,0|1,0,0]=4 32443 B12R1.37 CCCCCNC[C@@H]1CCOC1 729e70e033c64ad57e16f8ae11571342 [0,2,0,1,0,0|1,0,0]=4 32444 B12R1.37 CCCCCNC[C@H]1CCCO1 d782c53b7135d3b8b5a497fbd37f2322 [0,2,0,1,0,0|1,0,0]=4 32445 B12R1.37 CCCCCNC[C@H]1CCOC1 e3011936e5aa40cf315ed50e46a7bcae [0,2,0,1,0,0|1,0,0]=4 32446 B12R1.37 CCCCCOCC1C=CCC1 c9dca47e92cd405ce08214550be345a6 [0,2,0,1,0,0|0,0,0]=3 32447 B12R1.37 CCCCCOCC1CC=CC1 a860a35c70f4d14648279dcbc4fe8cb3 [0,2,0,1,0,0|0,0,0]=3 32448 B12R1.37 CCCCCOCC1CCCC1 e97d112a2e848a12e86b8c9fd801cfa4 [0,2,0,1,0,0|0,0,0]=3 32449 B12R1.37 CCCCCOCC1CCCO1 43d5eecb03049bb2b0418e1f8450fb4f [0,2,0,1,0,0|0,0,0]=3 32450 B12R1.37 CCCCCOCC1CCCS1 6d89800d6686c491f9af4553db7b2b4f [0,2,0,1,0,0|0,0,0]=3 32451 B12R1.37 CCCCCOCC1CCOC1 f272003950a14a98eaf7b4b59afa3d61 [0,2,0,1,0,0|0,0,0]=3 32452 B12R1.37 CCCCCOCN1CCCC1 51b09504992d10338654c34ecbe1eaa0 [0,2,0,1,0,0|0,0,0]=3 32453 B12R1.37 CCCCCOC[C@@H]1CCCO1 167d70c4f06b79f05d0a5663da79cc95 [0,2,0,1,0,0|0,0,0]=3 32454 B12R1.37 CCCCCOC[C@@H]1CCOC1 0e0803300a84577223f0982065b4e92e [0,2,0,1,0,0|0,0,0]=3 32455 B12R1.37 CCCCCOC[C@H]1CCCO1 51a1bede5e76b985ae823936b91eb589 [0,2,0,1,0,0|0,0,0]=3 32456 B12R1.37 CCCCCOC[C@H]1CCOC1 576e56a72320df9bbdb5248eab2b2d8c [0,2,0,1,0,0|0,0,0]=3 32457 B12R1.37 CCCCNCCC1CCCC1 c2a4de9635417ed5a0cc121c5c25ca76 [0,2,0,1,0,0|1,0,0]=4 32458 B12R1.37 CCCCNCCC1CCCO1 737e326ded73092df0d88261344e7481 [0,2,0,1,0,0|1,0,0]=4 32459 B12R1.37 CCCCNCCC1CCOC1 248a9133ef4189ba7b359f312b5dd64d [0,2,0,1,0,0|1,0,0]=4 32460 B12R1.37 CCCCNCCN1CCCC1 924264b3df16c738b3bb31d3daef6930 [0,2,0,1,0,0|1,0,0]=4 32461 B12R1.37 CCCCOCC=C1CCCC1 c286f48e9c0d0841b8001221eb2f77c9 [0,2,0,1,0,0|0,0,0]=3 32462 B12R1.37 CCCCOCCC1CCCC1 02f2321002b87c303483b3da5cc8dcbc [0,2,0,1,0,0|0,0,0]=3 32463 B12R1.37 CCCCOCCC1CCCO1 0580c703421a0efd598daec454ae9f8a [0,2,0,1,0,0|0,0,0]=3 32464 B12R1.37 CCCCOCCC1CCOC1 fad93f3e3e45d12d6260ea5a8b84299c [0,2,0,1,0,0|0,0,0]=3 32465 B12R1.37 CCCCOCCN1CC=CC1 5387d8e801a3c831183e8a462930f1cc [0,2,0,1,0,0|0,0,1]=4 32466 B12R1.37 CCCCOCCN1CCCC1 967aab4b761d4217d7a0dbb772bb2757 [0,2,0,1,0,0|0,0,0]=3 32467 B12R1.37 CCCCOCCN1CCOC1 83ef42a53beb291661340cbaa56adba6 [0,2,0,1,0,0|0,0,0]=3 32468 B12R1.37 CCCCOCCN1CCSC1 592dd522def98012fb0ebcbc54db4c7b [0,2,0,1,0,0|0,0,0]=3 32469 B12R1.37 CCCCOCNC1CC=CC1 23672874f3ec391b50812d7e4b9dd03b [0,2,0,1,0,0|0,0,1]=4 32470 B12R1.37 CCCCOCNC1CCCC1 609f6eab48329f7d8aaf380440fe0e3c [0,2,0,1,0,0|0,0,0]=3 32471 B12R1.37 CCCCOCNC1CCOC1 b5c1cdca3c2e5fe7ce113bd910325d93 [0,2,0,1,0,0|0,0,0]=3 32472 B12R1.37 CCCCOCNC1CCSC1 6c1ca61403f8408a0a671f9f254db914 [0,2,0,1,0,0|0,0,0]=3 32473 B12R1.37 CCCCOCN[C@@H]1CCOC1 e3e7576d4f901e05a504cd08f8a83c27 [0,2,0,1,0,0|0,0,0]=3 32474 B12R1.37 CCCCOCN[C@H]1CCOC1 0401305c29b79065021f9127601e5b1b [0,2,0,1,0,0|0,0,0]=3 32475 B12R1.37 CCCCOCOC1C=CCC1 ded0e4f2f3966b25119016b64d82c963 [0,2,0,1,0,0|0,0,1]=4 32476 B12R1.37 CCCCOCOC1CC=CC1 ccc459541120b8e630872eb3123a9bf9 [0,2,0,1,0,0|0,0,1]=4 32477 B12R1.37 CCCCOCOC1CCCC1 ef722b9818a52d7112d0ae8c7f4c4698 [0,2,0,1,0,0|0,0,0]=3 32478 B12R1.37 CCCCOCOC1CCCO1 fa8db85d7b968529ccfc556c9db76d88 [0,2,0,1,0,0|0,0,0]=3 32479 B12R1.37 CCCCOCOC1CCOC1 1f13f2ba85a1dcd7a8f8e147c444e5b4 [0,2,0,1,0,0|0,0,0]=3 32480 B12R1.37 CCCCOCOC1CCSC1 87d4d220c334aec958b67277fe6e2d94 [0,2,0,1,0,0|0,0,0]=3 32481 B12R1.37 CCCCOCO[C@@H]1CCOC1 ca6608c96b7395577054f0828ef1feb2 [0,2,0,1,0,0|0,0,0]=3 32482 B12R1.37 CCCCOCO[C@@H]1CCSC1 93b3ac4c17ff4fe2d3aa1dceed1d0587 [0,2,0,1,0,0|0,0,0]=3 32483 B12R1.37 CCCCOCO[C@H]1CCOC1 fedb0d546a69d1b02b664fa4d1b52036 [0,2,0,1,0,0|0,0,0]=3 32484 B12R1.37 CCCCOCO[C@H]1CCSC1 41d0aa4617eecdba79d2ebb59211d54b [0,2,0,1,0,0|0,0,0]=3 32485 B12R1.37 CCCNCCCC1CCCC1 013f5e548721feb26186b97b111b664c [0,2,0,1,0,0|1,0,0]=4 32486 B12R1.37 CCCNCCCC1CCOC1 430ebfdd6d100dfeec23466aea7ef07a [0,2,0,1,0,0|1,0,0]=4 32487 B12R1.37 CCCNCCCN1CCCC1 3be4f02d567b80e1d4fcafd001bd901c [0,2,0,1,0,0|1,0,0]=4 32488 B12R1.37 CCCNCCOC1CCCC1 274068501a8a3efbc408a58c94630122 [0,2,0,1,0,0|0,0,0]=3 32489 B12R1.37 CCCNCCOC1CCOC1 1bc0b09343e265993274c8ddf5a07c8e [0,2,0,1,0,0|0,0,0]=3 32490 B12R1.37 CCCNCCSC1CCCC1 7436dd70ae7af49c35d37753b77c99ad [0,2,0,1,0,0|0,1,0]=4 32491 B12R1.37 CCCOCCCC1CCCC1 e2ec48fb1d1af1762ee16e22e32d7e1b [0,2,0,1,0,0|1,0,0]=4 32492 B12R1.37 CCCOCCCN1CCCC1 63dcc4cc587b4a2884e1add0184b0a27 [0,2,0,1,0,0|1,0,0]=4 32493 B12R1.37 CCCOCCNC1CCCC1 c184d3557da4c2250b487fa3c6741101 [0,2,0,1,0,0|1,0,0]=4 32494 B12R1.37 CCCOCCNC1CCOC1 0eb9c25bbbdeeb727f824f614173d6ea [0,2,0,1,0,0|1,0,0]=4 32495 B12R1.37 CCCOCCNC1CCSC1 71460146ad4c92dd82b95cee0cca2284 [0,2,0,1,0,0|1,0,0]=4 32496 B12R1.37 CCCOCCN[C@@H]1CCOC1 fb6dff5a46311f755f18ebf82ae28b8e [0,2,0,1,0,0|1,0,0]=4 32497 B12R1.37 CCCOCCN[C@H]1CCOC1 353f167e6519c245053ee43b8b7d10e4 [0,2,0,1,0,0|1,0,0]=4 32498 B12R1.37 CCCOCCOC1C=CCC1 e50210f4a59d44797369ce1e250ed013 [0,2,0,1,0,0|0,0,1]=4 32499 B12R1.37 CCCOCCOC1CC=CC1 d577de633133110bfc34103b34ef7509 [0,2,0,1,0,0|0,0,1]=4 32500 B12R1.37 CCCOCCOC1CCCC1 c80e8da506d8480385814b3404fed60d [0,2,0,1,0,0|0,0,0]=3 32501 B12R1.37 CCCOCCOC1CCCO1 a8e40faedfefd54e2636ad01fc02e60e [0,2,0,1,0,0|0,0,0]=3 32502 B12R1.37 CCCOCCOC1CCOC1 dba40bc2411e24f6f0bcc79ead265a4d [0,2,0,1,0,0|0,0,0]=3 32503 B12R1.37 CCCOCCOC1CCSC1 860627d0a5fca76dde01fb4662a64cb6 [0,2,0,1,0,0|0,0,0]=3 32504 B12R1.37 CCCOCCO[C@@H]1CCOC1 dc2c9a00d6f7136d0f463bff9a8b9117 [0,2,0,1,0,0|0,0,0]=3 32505 B12R1.37 CCCOCCO[C@@H]1CCSC1 252128bb87cc91c244384c4740120f39 [0,2,0,1,0,0|0,0,0]=3 32506 B12R1.37 CCCOCCO[C@H]1CCOC1 48f26f5d35d1929de27702fc32a855ed [0,2,0,1,0,0|0,0,0]=3 32507 B12R1.37 CCCOCCO[C@H]1CCSC1 180c3d545d1645461779e74142dca427 [0,2,0,1,0,0|0,0,0]=3 32508 B12R1.37 CCCSCCOC1CCCC1 2f27a6e05207d6a58079b65eccbd2f19 [0,2,0,1,0,0|0,0,0]=3 32509 B12R1.37 CCCSCCOC1CCOC1 011d7a931da8c12c45f2c73bd0e0d77a [0,2,0,1,0,0|0,0,0]=3 32510 B12R1.37 CCCSCCO[C@@H]1CCOC1 c7aa7738aa348b166b7763874e352eb7 [0,2,0,1,0,0|0,0,0]=3 32511 B12R1.37 CCCSCCO[C@H]1CCOC1 3cf32445d4ac40d4863bfe38bf7022bf [0,2,0,1,0,0|0,0,0]=3 32512 B12R1.37 CCNCCCCC1CCCC1 5ac1edb9dc7bc925fbc12311a13245e3 [0,2,0,1,0,0|1,0,0]=4 32513 B12R1.37 CCNCCCCN1CCCC1 a7a9a444e09c2597a02b2333192d5d69 [0,2,0,1,0,0|1,0,0]=4 32514 B12R1.37 CCNCCCOC1CCCC1 abfd19ece55a006bc8748a311e8dcae7 [0,2,0,1,0,0|0,0,0]=3 32515 B12R1.37 CCNCCOCC1CCCO1 34a6455543a55a0d96c05d5a0c14e1dd [0,2,0,1,0,0|0,0,0]=3 32516 B12R1.37 CCOCCCCN1CCCC1 d4b2bcf58878bcedd196ca1cab09811a [0,2,0,1,0,0|1,0,0]=4 32517 B12R1.37 CCOCCCNC1CCCC1 095e5fbb6e417fe9c55055c63ffe61c6 [0,2,0,1,0,0|1,0,0]=4 32518 B12R1.37 CCOCCCNC1CCOC1 8a55e1538d9de41daf8ddc3361a3c32e [0,2,0,1,0,0|1,0,0]=4 32519 B12R1.37 CCOCCCNC1CCSC1 9645815039c1b24b6966d94c33307516 [0,2,0,1,0,0|1,0,0]=4 32520 B12R1.37 CCOCCCN[C@@H]1CCOC1 65c1ec732da09f41a38eaf8d179bff5d [0,2,0,1,0,0|1,0,0]=4 32521 B12R1.37 CCOCCCN[C@H]1CCOC1 d8c7ca578a4d1dc2bc59adc2d41fa7aa [0,2,0,1,0,0|1,0,0]=4 32522 B12R1.37 CCOCCCOC1C=CCC1 812b0966201ce0c26f683f1a84f6564c [0,2,0,1,0,0|0,0,1]=4 32523 B12R1.37 CCOCCCOC1CC=CC1 2c924ed3a94b2e6b92ecd213d9e18381 [0,2,0,1,0,0|0,0,1]=4 32524 B12R1.37 CCOCCCOC1CCCC1 eb58e1f7e79c7f95c39cc57d0ee88817 [0,2,0,1,0,0|0,0,0]=3 32525 B12R1.37 CCOCCCOC1CCCO1 9849c8cf484c1ab34387c61b6aaba01a [0,2,0,1,0,0|0,0,0]=3 32526 B12R1.37 CCOCCCOC1CCOC1 5ed3ec3e89cd99a5878e9e3e75934e2f [0,2,0,1,0,0|0,0,0]=3 32527 B12R1.37 CCOCCCOC1CCSC1 31811862e616c9996b50844ac69993fc [0,2,0,1,0,0|0,0,0]=3 32528 B12R1.37 CCOCCCO[C@@H]1CCOC1 cad8967e065b35d5099c25621c21bb09 [0,2,0,1,0,0|0,0,0]=3 32529 B12R1.37 CCOCCCO[C@@H]1CCSC1 30a50ce10ca5d39da0eac3e7ca53f696 [0,2,0,1,0,0|0,0,0]=3 32530 B12R1.37 CCOCCCO[C@H]1CCOC1 d50bd0673d123714a57d7ff50c5bf21b [0,2,0,1,0,0|0,0,0]=3 32531 B12R1.37 CCOCCCO[C@H]1CCSC1 f010c5ba5f6d6959d8423daa7cb793e3 [0,2,0,1,0,0|0,0,0]=3 32532 B12R1.37 CCOCCNCC1CCCC1 898f2dfde909b1385ae3bd96eec3aae1 [0,2,0,1,0,0|1,0,0]=4 32533 B12R1.37 CCOCCNCC1CCCO1 355a945c685ef178af32988cee9e3b92 [0,2,0,1,0,0|1,0,0]=4 32534 B12R1.37 CCOCCNCC1CCOC1 126c7be306872edf74ed6fba08038977 [0,2,0,1,0,0|1,0,0]=4 32535 B12R1.37 CCOCCNC[C@@H]1CCCO1 c6e090faaf905f2075a579cf8ba88e06 [0,2,0,1,0,0|1,0,0]=4 32536 B12R1.37 CCOCCNC[C@@H]1CCOC1 42c08e37d9b25bd4cf67aa53f507133e [0,2,0,1,0,0|1,0,0]=4 32537 B12R1.37 CCOCCNC[C@H]1CCCO1 ebe7c9ff56d84d3ebf42b7a8f3db0f3b [0,2,0,1,0,0|1,0,0]=4 32538 B12R1.37 CCOCCNC[C@H]1CCOC1 b49a5ab97e9c19d321953ac66fe84b6d [0,2,0,1,0,0|1,0,0]=4 32539 B12R1.37 CCOCCOCC1C=CCC1 38b3e2148a18fe0a671fd14062662064 [0,2,0,1,0,0|0,0,1]=4 32540 B12R1.37 CCOCCOCC1CC=CC1 c32326391e6a2277bc50cccfab0e3bab [0,2,0,1,0,0|0,0,1]=4 32541 B12R1.37 CCOCCOCC1CCCC1 2140b05483090c77a3160a1065233ed0 [0,2,0,1,0,0|0,0,0]=3 32542 B12R1.37 CCOCCOCC1CCCO1 8b5ff78f468c511fa9c6cc0efc779468 [0,2,0,1,0,0|0,0,0]=3 32543 B12R1.37 CCOCCOCC1CCCS1 36d03d918a44d986ae96f6d483aef641 [0,2,0,1,0,0|0,0,0]=3 32544 B12R1.37 CCOCCOCC1CCOC1 f8fbe43e307583119840534f30fa2850 [0,2,0,1,0,0|0,0,0]=3 32545 B12R1.37 CCOCCOCN1CCCC1 d35022f476671780e80b6b43d968c7e8 [0,2,0,1,0,0|0,0,0]=3 32546 B12R1.37 CCOCCOC[C@@H]1CCCO1 07b45814efadf3c032edb8e72e87bbf3 [0,2,0,1,0,0|0,0,0]=3 32547 B12R1.37 CCOCCOC[C@@H]1CCOC1 6a78f501945c8c6d91fa07b4d79220f7 [0,2,0,1,0,0|0,0,0]=3 32548 B12R1.37 CCOCCOC[C@H]1CCCO1 a3120ad1a07c2577e2e10906c331e57a [0,2,0,1,0,0|0,0,0]=3 32549 B12R1.37 CCOCCOC[C@H]1CCOC1 40401fed0ae20df7d30227992be64b20 [0,2,0,1,0,0|0,0,0]=3 32550 B12R1.37 CCOCNCCC1CCCC1 3074ce5b09524ac8c88268f27950c85c [0,2,0,1,0,0|1,0,0]=4 32551 B12R1.37 CCOCNCCN1CCCC1 4c2a48bc2ffd90d688807eface6f9b62 [0,2,0,1,0,0|1,0,0]=4 32552 B12R1.37 CCOCOCC=C1CCCC1 28ec9b2dce7b0b0e6ddf0bbcd3e161fc [0,2,0,1,0,0|1,0,0]=4 32553 B12R1.37 CCOCOCCC1CCCC1 4c8d56f5aeeb2381ac154af4cca1e6fd [0,2,0,1,0,0|1,0,0]=4 32554 B12R1.37 CCOCOCCC1CCCO1 e10b9cbeb0a7e47e179c4bdfdf3f59a6 [0,2,0,1,0,0|1,0,0]=4 32555 B12R1.37 CCOCOCCC1CCOC1 f3264d14ee23654e3e46f67342258d5d [0,2,0,1,0,0|1,0,0]=4 32556 B12R1.37 CCOCOCCN1CCCC1 2d08d46595d065e31b3dc172a20068a1 [0,2,0,1,0,0|1,0,0]=4 32557 B12R1.37 CCOCOCCN1CCOC1 39009767e3b83c59816924f3321afa00 [0,2,0,1,0,0|1,0,0]=4 32558 B12R1.37 CCSCCCNC1CCCC1 dce54196af1b374b966ff02cb40dc3cd [0,2,0,1,0,0|1,0,0]=4 32559 B12R1.37 CCSCCCNC1CCOC1 07300716c83bb8911d7e45cb8b624bf3 [0,2,0,1,0,0|1,0,0]=4 32560 B12R1.37 CCSCCCNC1CCSC1 d66e99f4bf925cb48ed8f6e89d690fd2 [0,2,0,1,0,0|1,0,0]=4 32561 B12R1.37 CCSCCCN[C@@H]1CCOC1 370fd37aefa90e2f06617fb64d355f2e [0,2,0,1,0,0|1,0,0]=4 32562 B12R1.37 CCSCCCN[C@H]1CCOC1 54fd3921c63e6517da517ad800e7c523 [0,2,0,1,0,0|1,0,0]=4 32563 B12R1.37 CCSCCCOC1C=CCC1 8ff926d8da6b688a5ef17c50bf3eeae2 [0,2,0,1,0,0|0,0,1]=4 32564 B12R1.37 CCSCCCOC1CC=CC1 c17e6bd9d4c0db42ec8cf5af7ad72d18 [0,2,0,1,0,0|0,0,1]=4 32565 B12R1.37 CCSCCCOC1CCCC1 bcbad6928ef847a1d78b7eddc76fdbdd [0,2,0,1,0,0|0,0,0]=3 32566 B12R1.37 CCSCCCOC1CCCO1 575d3668446e568977eecb6aa0ac5d9f [0,2,0,1,0,0|0,0,0]=3 32567 B12R1.37 CCSCCCOC1CCOC1 599776bd4dc858d83ce7ace65a6d5afb [0,2,0,1,0,0|0,0,0]=3 32568 B12R1.37 CCSCCCOC1CCSC1 ee53104eed580fefa6fc3259c98706ed [0,2,0,1,0,0|0,0,0]=3 32569 B12R1.37 CCSCCCO[C@@H]1CCOC1 6c8e5847b84ac1996a7592ba8895cab4 [0,2,0,1,0,0|0,0,0]=3 32570 B12R1.37 CCSCCCO[C@@H]1CCSC1 881bdf4d41efe14bbda0da09aa432509 [0,2,0,1,0,0|0,0,0]=3 32571 B12R1.37 CCSCCCO[C@H]1CCOC1 8f412c448f4bff3e7cfed069152d0b69 [0,2,0,1,0,0|0,0,0]=3 32572 B12R1.37 CCSCCCO[C@H]1CCSC1 38a18f9cb76b1a3aab5a079628960658 [0,2,0,1,0,0|0,0,0]=3 32573 B12R1.37 CCSCCNCC1CCCC1 8842179e7ce883a1934755162c82cfdd [0,2,0,1,0,0|1,0,0]=4 32574 B12R1.37 CCSCCNCC1CCCO1 27ea9283ec4c968e4a7d8e8d0be644a3 [0,2,0,1,0,0|1,0,0]=4 32575 B12R1.37 CCSCCNCC1CCOC1 cc6465e6462ab92d96aed3c1d2454657 [0,2,0,1,0,0|1,0,0]=4 32576 B12R1.37 CCSCCNC[C@@H]1CCCO1 8f6e425f813713000a94e9525ecb5854 [0,2,0,1,0,0|1,0,0]=4 32577 B12R1.37 CCSCCNC[C@@H]1CCOC1 bafed4919430fd7a90491aa89fbaf023 [0,2,0,1,0,0|1,0,0]=4 32578 B12R1.37 CCSCCNC[C@H]1CCCO1 899d1b37f8775093310b92949a07d925 [0,2,0,1,0,0|1,0,0]=4 32579 B12R1.37 CCSCCNC[C@H]1CCOC1 c2165d5e91db796110b6424c352d1c1c [0,2,0,1,0,0|1,0,0]=4 32580 B12R1.37 CCSCCOCC1C=CCC1 7f7396339fccb0a475617f86cc572fb3 [0,2,0,1,0,0|0,0,1]=4 32581 B12R1.37 CCSCCOCC1CC=CC1 261468e91282d2dab841ea6d652c7a16 [0,2,0,1,0,0|0,0,1]=4 32582 B12R1.37 CCSCCOCC1CCCC1 afe382c94f226b9132c37d8e986c2416 [0,2,0,1,0,0|0,0,0]=3 32583 B12R1.37 CCSCCOCC1CCCO1 a33ee4d079ca1cb54345e717a2324b5a [0,2,0,1,0,0|0,0,0]=3 32584 B12R1.37 CCSCCOCC1CCCS1 2018db73e3be9dafa79219c4cf1a53e5 [0,2,0,1,0,0|0,0,0]=3 32585 B12R1.37 CCSCCOCC1CCOC1 1889a61954bf7b9369ee7e634fa16d64 [0,2,0,1,0,0|0,0,0]=3 32586 B12R1.37 CCSCCOCN1CCCC1 200e1222290a05e5962a6ddbc1d0b7a0 [0,2,0,1,0,0|0,0,0]=3 32587 B12R1.37 CCSCCOC[C@@H]1CCCO1 464efa96a37328166cc5d46707e3abdb [0,2,0,1,0,0|0,0,0]=3 32588 B12R1.37 CCSCCOC[C@@H]1CCOC1 9663538c2bd5fea6804776034c0512ec [0,2,0,1,0,0|0,0,0]=3 32589 B12R1.37 CCSCCOC[C@H]1CCCO1 9c1eb61c8dac3e479e7e5c1b207f63b9 [0,2,0,1,0,0|0,0,0]=3 32590 B12R1.37 CCSCCOC[C@H]1CCOC1 39e9dbf204a826069bc28419083585a7 [0,2,0,1,0,0|0,0,0]=3 32591 B12R1.37 COCC#CCOC1CCCC1 32ca1a9a59e6cb93246f521dd8ae3597 [0,2,0,1,0,0|0,0,1]=4 32592 B12R1.37 COCCCCNC1CCCC1 42437f9bda089c899e9139b75ee84918 [0,2,0,1,0,0|1,0,0]=4 32593 B12R1.37 COCCCCNC1CCOC1 06ac882a64f86bb4ee8e075fe04572c6 [0,2,0,1,0,0|1,0,0]=4 32594 B12R1.37 COCCCCNC1CCSC1 151c5e36ecf569fdff1100227b351381 [0,2,0,1,0,0|1,0,0]=4 32595 B12R1.37 COCCCCN[C@@H]1CCOC1 12326a4e6794f60da206ab70821420ff [0,2,0,1,0,0|1,0,0]=4 32596 B12R1.37 COCCCCN[C@H]1CCOC1 56d34857e4d46e6fe98b57461fbf351d [0,2,0,1,0,0|1,0,0]=4 32597 B12R1.37 COCCCCOC1C=CCC1 65cffd9b0e21b63597b716327d444558 [0,2,0,1,0,0|0,0,1]=4 32598 B12R1.37 COCCCCOC1CC=CC1 f21b8108171e1d3fe3cfef50a1c63d52 [0,2,0,1,0,0|0,0,1]=4 32599 B12R1.37 COCCCCOC1CCCC1 0be30c7079179fb4b6a7ad834a97a031 [0,2,0,1,0,0|0,0,0]=3 32600 B12R1.37 COCCCCOC1CCCO1 5fdd7271538ebbf612e25a7900b9b8c5 [0,2,0,1,0,0|0,0,0]=3 32601 B12R1.37 COCCCCOC1CCOC1 4387be3b010a3e177272474e844e6889 [0,2,0,1,0,0|0,0,0]=3 32602 B12R1.37 COCCCCOC1CCSC1 cee15a62b443f7e71b98aa75b1ddfd57 [0,2,0,1,0,0|0,0,0]=3 32603 B12R1.37 COCCCCO[C@@H]1CCOC1 6062fce17ee0a96194ce0a71d70a799d [0,2,0,1,0,0|0,0,0]=3 32604 B12R1.37 COCCCCO[C@@H]1CCSC1 c7512871df6114f4fc0bd56bad8b3bfc [0,2,0,1,0,0|0,0,0]=3 32605 B12R1.37 COCCCCO[C@H]1CCOC1 ed5e1c18aa4adbb8209e932d2b2ccdbe [0,2,0,1,0,0|0,0,0]=3 32606 B12R1.37 COCCCCO[C@H]1CCSC1 05118e99ce8870f0603fc269f3114e76 [0,2,0,1,0,0|0,0,0]=3 32607 B12R1.37 COCCCNCC1CCCC1 760937684b336b479490a54215c4da70 [0,2,0,1,0,0|1,0,0]=4 32608 B12R1.37 COCCCNCC1CCCO1 aff27cd20bc686ac29f2636b549520b0 [0,2,0,1,0,0|1,0,0]=4 32609 B12R1.37 COCCCNCC1CCOC1 e19835a692e3fd0abda50cdeb843df1a [0,2,0,1,0,0|1,0,0]=4 32610 B12R1.37 COCCCNC[C@@H]1CCCO1 8d39ef4a576b97920570860c127f4cfa [0,2,0,1,0,0|1,0,0]=4 32611 B12R1.37 COCCCNC[C@@H]1CCOC1 0deed6e258b477b1cd38a3ce18c05f1a [0,2,0,1,0,0|1,0,0]=4 32612 B12R1.37 COCCCNC[C@H]1CCCO1 9c16bb9441b87c0f39e1822ed069d1f0 [0,2,0,1,0,0|1,0,0]=4 32613 B12R1.37 COCCCNC[C@H]1CCOC1 9a28a3a34adf829984806bc05bea4a8b [0,2,0,1,0,0|1,0,0]=4 32614 B12R1.37 COCCCOCC1C=CCC1 fe286d7c09bf30a28fef900a90f18867 [0,2,0,1,0,0|0,0,1]=4 32615 B12R1.37 COCCCOCC1CC=CC1 3a230afe519176acbc98e8b0df091506 [0,2,0,1,0,0|0,0,1]=4 32616 B12R1.37 COCCCOCC1CCCC1 5d3fb157bce3e6756d3cba4044acac81 [0,2,0,1,0,0|0,0,0]=3 32617 B12R1.37 COCCCOCC1CCCO1 9b9f7e58dcd409dce509e853a79a02ea [0,2,0,1,0,0|0,0,0]=3 32618 B12R1.37 COCCCOCC1CCCS1 d0276430121e816b5db371d5d63c3aa0 [0,2,0,1,0,0|0,0,0]=3 32619 B12R1.37 COCCCOCC1CCOC1 a9a62ef61eb578698c0495444c1ce784 [0,2,0,1,0,0|0,0,0]=3 32620 B12R1.37 COCCCOCN1CCCC1 4afab6e0b54a555f7a75be04d1381dc9 [0,2,0,1,0,0|0,0,0]=3 32621 B12R1.37 COCCCOC[C@@H]1CCCO1 fd7c93be52e5b9e9c9ed049f7b5a85d7 [0,2,0,1,0,0|0,0,0]=3 32622 B12R1.37 COCCCOC[C@@H]1CCOC1 5b279714553a2ad837cac556a7959ab7 [0,2,0,1,0,0|0,0,0]=3 32623 B12R1.37 COCCCOC[C@H]1CCCO1 d0e8b0dad5e5b0b4afa3d0a83ba27169 [0,2,0,1,0,0|0,0,0]=3 32624 B12R1.37 COCCCOC[C@H]1CCOC1 268e662ffce34d76b11fa680cea01851 [0,2,0,1,0,0|0,0,0]=3 32625 B12R1.37 COCCNCCC1CCCC1 7c3cd70111b4192c846f3b68fb379d27 [0,2,0,1,0,0|1,0,0]=4 32626 B12R1.37 COCCNCCN1CCCC1 e1ac677e92f181cdadbfb9936176d188 [0,2,0,1,0,0|1,0,0]=4 32627 B12R1.37 COCCOCC=C1CCCC1 5334fad26d3b3fa4133b4835a3c9f07c [0,2,0,1,0,0|1,0,0]=4 32628 B12R1.37 COCCOCCC1CCCC1 bc1049a3a83e887b55d774d2f2de3f55 [0,2,0,1,0,0|1,0,0]=4 32629 B12R1.37 COCCOCCC1CCCO1 8b691a4adeb48fcae71c7a89aa1d3af0 [0,2,0,1,0,0|1,0,0]=4 32630 B12R1.37 COCCOCCC1CCOC1 bdef2eef8c97284920e672dae4bdaa73 [0,2,0,1,0,0|1,0,0]=4 32631 B12R1.37 COCCOCCN1CCCC1 2b21b31892bdbe3399e7dbed73592549 [0,2,0,1,0,0|1,0,0]=4 32632 B12R1.37 COCCOCCN1CCOC1 d8451ef5f3b3ef3c8b938db85e95eb49 [0,2,0,1,0,0|1,0,0]=4 32633 B12R1.37 COCCOCCN1CCSC1 713985a5649ecab5b0cd74265b4d031b [0,2,0,1,0,0|1,0,0]=4 32634 B12R1.37 COCCOCNC1CCCC1 b1f0bd7aa42ac46f72364f9bc3195bc5 [0,2,0,1,0,0|1,0,0]=4 32635 B12R1.37 COCCOCNC1CCOC1 bb8c2c1d6f296414ef3a15fddd5e4b7f [0,2,0,1,0,0|1,0,0]=4 32636 B12R1.37 COCCOCNC1CCSC1 a06960ab76b001ba15b6ae8ecdeb8767 [0,2,0,1,0,0|1,0,0]=4 32637 B12R1.37 COCCOCN[C@@H]1CCOC1 22f7fc8b5937dc63aa49c7303fde17f6 [0,2,0,1,0,0|1,0,0]=4 32638 B12R1.37 COCCOCN[C@H]1CCOC1 fa2256b37082ba611ab356dbfaff7385 [0,2,0,1,0,0|1,0,0]=4 32639 B12R1.37 COCCOCOC1CCCC1 0ba67d4dcc5817fbfc4083ce051c5b34 [0,2,0,1,0,0|0,0,0]=3 32640 B12R1.37 COCCOCOC1CCCO1 2b67fd592e012dc1a06413de0c03cd30 [0,2,0,1,0,0|1,0,0]=4 32641 B12R1.37 COCCOCOC1CCOC1 330265d32a233c30707f378594f1ec94 [0,2,0,1,0,0|1,0,0]=4 32642 B12R1.37 COCCOCOC1CCSC1 e360ff2c736bf86680a86d03331dfd70 [0,2,0,1,0,0|1,0,0]=4 32643 B12R1.37 COCCOCO[C@@H]1CCOC1 f9a7d7636dc0968e73e133519812020e [0,2,0,1,0,0|1,0,0]=4 32644 B12R1.37 COCCOCO[C@@H]1CCSC1 4f08fa31ea9ec46870f8c94ac2e1a11f [0,2,0,1,0,0|1,0,0]=4 32645 B12R1.37 COCCOCO[C@H]1CCOC1 aefa521c51baea46d5405c601a0f37a4 [0,2,0,1,0,0|1,0,0]=4 32646 B12R1.37 COCCOCO[C@H]1CCSC1 d35f86b5d17620ca7d51a460d9c07c60 [0,2,0,1,0,0|1,0,0]=4 32647 B12R1.37 COCNCCCC1CCCC1 4369c3b616f083128a80ca67e3bdd54a [0,2,0,1,0,0|1,0,0]=4 32648 B12R1.37 COCNCCCN1CCCC1 8e7623962455a39062c27863b9702580 [0,2,0,1,0,0|1,0,0]=4 32649 B12R1.37 COCNCCOC1CCCC1 9b2b6b4d989de74b85e1bf84b437529c [0,2,0,1,0,0|0,0,0]=3 32650 B12R1.37 COCNCCSC1CCCC1 a68ae92a0b335dc49a94d38d57d16a75 [0,2,0,1,0,0|0,1,0]=4 32651 B12R1.37 COCOCCCC1CCCC1 a8f89e923674059d03846495d43c3cca [0,2,0,1,0,0|1,0,0]=4 32652 B12R1.37 COCOCCCN1CCCC1 b3b9323744a989ed3d0304daa62545df [0,2,0,1,0,0|1,0,0]=4 32653 B12R1.37 COCOCCNC1CCCC1 09ea2e5a1142bac3e6e89452b8e1931d [0,2,0,1,0,0|1,0,0]=4 32654 B12R1.37 COCOCCOC1CCCC1 dd1f65c424b8467431cc4a8d715b4751 [0,2,0,1,0,0|0,0,0]=3 32655 B12R1.37 COCOCCOC1CCCO1 c33e8eb22ab623cdd7987fd432d64452 [0,2,0,1,0,0|1,0,0]=4 32656 B12R1.37 COCOCCOC1CCOC1 abd7aaff06d82fe462ce02b5af8a0ef2 [0,2,0,1,0,0|1,0,0]=4 32657 B12R1.37 COCOCCOC1CCSC1 77f545c2feec6b3790a08d86e5ac6973 [0,2,0,1,0,0|1,0,0]=4 32658 B12R1.37 COCOCCO[C@@H]1CCOC1 5f8de33d114ab0f7d421db3a15d1d1d0 [0,2,0,1,0,0|1,0,0]=4 32659 B12R1.37 COCOCCO[C@@H]1CCSC1 9284199165a8c4df6d36ca8a6431b0f1 [0,2,0,1,0,0|1,0,0]=4 32660 B12R1.37 COCOCCO[C@H]1CCOC1 77ed82332ad5f63f80c6f83030f8bda1 [0,2,0,1,0,0|1,0,0]=4 32661 B12R1.37 COCOCCO[C@H]1CCSC1 bf82222f8a7b1ce1b74adffdbe11241b [0,2,0,1,0,0|1,0,0]=4 32662 B12R1.37 CSCCCCNC1CCCC1 bd4ef739662a3cbe7b0840de95961d94 [0,2,0,1,0,0|1,0,0]=4 32663 B12R1.37 CSCCCCNC1CCOC1 6755648f7d1161d33088c7150ec8303b [0,2,0,1,0,0|1,0,0]=4 32664 B12R1.37 CSCCCCN[C@@H]1CCOC1 8c302409f616263c25193f2fb8c03fe3 [0,2,0,1,0,0|1,0,0]=4 32665 B12R1.37 CSCCCCN[C@H]1CCOC1 3779b6afe589d67b8213eb8e182a5029 [0,2,0,1,0,0|1,0,0]=4 32666 B12R1.37 CSCCCCOC1CCCC1 f0be1bbff803e3eebf2fe4932f42e1b5 [0,2,0,1,0,0|0,0,0]=3 32667 B12R1.37 CSCCCCOC1CCOC1 192f42326a23b3d190773d8cd36a9403 [0,2,0,1,0,0|0,0,0]=3 32668 B12R1.37 CSCCCCO[C@@H]1CCOC1 0c90b95349349bd45f1c44d95993f75e [0,2,0,1,0,0|0,0,0]=3 32669 B12R1.37 CSCCCCO[C@H]1CCOC1 0e14d75d57835dff7cc76f7a06851c55 [0,2,0,1,0,0|0,0,0]=3 32670 B12R1.37 CSCCCNCC1CCCC1 60642c9063addc5e00feb8ab4ef1c3b1 [0,2,0,1,0,0|1,0,0]=4 32671 B12R1.37 CSCCCNCC1CCCO1 7e2e0b0228448ab5231eb2383f55a7c4 [0,2,0,1,0,0|1,0,0]=4 32672 B12R1.37 CSCCCNCC1CCOC1 eaadc7c2161076c736de93e5fe02b6d7 [0,2,0,1,0,0|1,0,0]=4 32673 B12R1.37 CSCCCNC[C@@H]1CCCO1 632fa43645ab785ecab454dd37f8b73b [0,2,0,1,0,0|1,0,0]=4 32674 B12R1.37 CSCCCNC[C@@H]1CCOC1 44b84d3b454067ee12c0b8ba7d77fb5a [0,2,0,1,0,0|1,0,0]=4 32675 B12R1.37 CSCCCNC[C@H]1CCCO1 3706ddacd2aae1b7e16e8eab5aefb3e6 [0,2,0,1,0,0|1,0,0]=4 32676 B12R1.37 CSCCCNC[C@H]1CCOC1 4dc055eb9789374ba92a124fd6f4f998 [0,2,0,1,0,0|1,0,0]=4 32677 B12R1.37 CSCCCOCC1C=CCC1 0c4c562dbc84e25ba063eba160e32e8b [0,2,0,1,0,0|0,0,1]=4 32678 B12R1.37 CSCCCOCC1CC=CC1 0a5a449e2aec1a531290088dc14bc1ab [0,2,0,1,0,0|0,0,1]=4 32679 B12R1.37 CSCCCOCC1CCCC1 374e65d7d82c9b8a07f46f59164a02fe [0,2,0,1,0,0|0,0,0]=3 32680 B12R1.37 CSCCCOCC1CCCO1 0586c686f46cb0c341ad4d9122fce2ce [0,2,0,1,0,0|0,0,0]=3 32681 B12R1.37 CSCCCOCC1CCCS1 156d43423bd6dd6c23cec8f80b68b79a [0,2,0,1,0,0|0,0,0]=3 32682 B12R1.37 CSCCCOCC1CCOC1 8c9aed954afab9bba7e820b70049e3de [0,2,0,1,0,0|0,0,0]=3 32683 B12R1.37 CSCCCOCN1CCCC1 8e8c27e8398f1ea0aa6abdcbe0bcf892 [0,2,0,1,0,0|0,0,0]=3 32684 B12R1.37 CSCCCOC[C@@H]1CCCO1 3318c565d2f8399aeebfbc3555327c72 [0,2,0,1,0,0|0,0,0]=3 32685 B12R1.37 CSCCCOC[C@@H]1CCOC1 e5d64bae8217a262440bb17c64854a27 [0,2,0,1,0,0|0,0,0]=3 32686 B12R1.37 CSCCCOC[C@H]1CCCO1 0578e703af0ef252e59c0da5001dd7d7 [0,2,0,1,0,0|0,0,0]=3 32687 B12R1.37 CSCCCOC[C@H]1CCOC1 0aa2f449ba284c71f657eb37c3dfab9e [0,2,0,1,0,0|0,0,0]=3 32688 B12R1.37 CSCCNCCC1CCCC1 a6edcd99b1fa56d448a7881c8aaca327 [0,2,0,1,0,0|1,0,0]=4 32689 B12R1.37 CSCCNCCN1CCCC1 dcf6062cb279e2d8b6fd5fef839dd9d6 [0,2,0,1,0,0|1,0,0]=4 32690 B12R1.37 CSCCOCC=C1CCCC1 b171d5a914f856fffd94436941dd4ba7 [0,2,0,1,0,0|1,0,0]=4 32691 B12R1.37 CSCCOCCC1CCCC1 e9be4a1fc3a32f22b0e822b3e498ab3f [0,2,0,1,0,0|1,0,0]=4 32692 B12R1.37 CSCCOCCC1CCCO1 c64cce469008c1921f94cf58999dce5d [0,2,0,1,0,0|1,0,0]=4 32693 B12R1.37 CSCCOCCC1CCOC1 5714c5fe3a937735e1c1d5bb9eb05c89 [0,2,0,1,0,0|1,0,0]=4 32694 B12R1.37 CSCCOCCN1CCCC1 47857bc397f81f9d8f0d7efd2d09b12e [0,2,0,1,0,0|1,0,0]=4 32695 B12R1.37 CSCCOCCN1CCOC1 bfc25a8d9eebd651fbba16c9c9b76a4b [0,2,0,1,0,0|1,0,0]=4 32696 B12R1.37 CSCNCCCC1CCCC1 c55b1649d399d8b81957e271cd0a0346 [0,2,0,1,0,0|1,0,0]=4 32697 B12R1.37 CSCNCCCN1CCCC1 35ea3fe15ee49079156b34f81452ccbb [0,2,0,1,0,0|1,0,0]=4 32698 B12R1.37 CSCNCCOC1CCCC1 b1fafc1de4a046fcd42337db26841a6d [0,2,0,1,0,0|0,0,0]=3 32699 B12R1.37 CSCNCCSC1CCCC1 a8de1815705c13a511163bf4a29fd5db [0,2,0,1,0,0|0,1,0]=4 32700 B12R1.37 CSCOCCCC1CCCC1 1d8e699ceb88296f618ae8bd8a19aaeb [0,2,0,1,0,0|1,0,0]=4 32701 B12R1.37 CSCOCCCN1CCCC1 be39c70c7a4cccdaed04295d27be2a08 [0,2,0,1,0,0|1,0,0]=4 32702 B12R1.37 CSCOCCOC1CCCC1 06f11c5f21f5762221f4b12e16a2ff82 [0,2,0,1,0,0|0,0,0]=3 32703 B12R1.37 ClCCCCCNC1CCCC1 bdc4a78f5727a8f328889dc3b0b71a52 [0,2,0,1,0,0|1,0,0]=4 32704 B12R1.37 ClCCCCCNC1CCOC1 4f39462c44136d4e641aca358860ad66 [0,2,0,1,0,0|1,0,0]=4 32705 B12R1.37 ClCCCCCN[C@@H]1CCOC1 6394640091568537a4d39c8fef1a7aec [0,2,0,1,0,0|1,0,0]=4 32706 B12R1.37 ClCCCCCN[C@H]1CCOC1 e2cae6412b4d618311ace5ea9eb17ea6 [0,2,0,1,0,0|1,0,0]=4 32707 B12R1.37 ClCCCCNCC1CCCC1 e8a11a64ef22aebc59612561bed852cc [0,2,0,1,0,0|1,0,0]=4 32708 B12R1.37 ClCCCCNCC1CCCO1 a6f0a3763718ee54dea129aa66f4305f [0,2,0,1,0,0|1,0,0]=4 32709 B12R1.37 ClCCCCNCC1CCOC1 d4de9c5641792063ab68c9cdb82ca5a4 [0,2,0,1,0,0|1,0,0]=4 32710 B12R1.37 ClCCCNCCC1CCCC1 28dd98947a0c9144060f9c337977c14b [0,2,0,1,0,0|1,0,0]=4 32711 B12R1.37 ClCCCNCCN1CCCC1 7e9a9e8a981011527dfb29c845114408 [0,2,0,1,0,0|1,0,0]=4 32712 B12R1.37 FCCCCCNC1CCCC1 615edd8fb0a678cc9c727ae0a83b26ad [0,2,0,1,0,0|1,0,0]=4 32713 B12R1.37 FCCCCCNC1CCOC1 11b310a8d0dc55a39a85a7990595a434 [0,2,0,1,0,0|1,0,0]=4 32714 B12R1.37 FCCCCCNC1CCSC1 f97733c48c616702570c2b04b2da1242 [0,2,0,1,0,0|1,0,0]=4 32715 B12R1.37 FCCCCCN[C@@H]1CCOC1 ea8f8e8b05c7bb7defe42db32f9177e8 [0,2,0,1,0,0|1,0,0]=4 32716 B12R1.37 FCCCCCN[C@H]1CCOC1 5227e4a1395f16a315975bb0dc1e2441 [0,2,0,1,0,0|1,0,0]=4 32717 B12R1.37 FCCCCCOC1C=CCC1 9e2039f134868bd5b27aefe08ce76806 [0,2,0,1,0,0|0,0,1]=4 32718 B12R1.37 FCCCCCOC1CC=CC1 65ea2221fd29a8adbb5630552e612f4c [0,2,0,1,0,0|0,0,1]=4 32719 B12R1.37 FCCCCCOC1CCCC1 23051dc4760d0b499ed8ccdd54d8a26b [0,2,0,1,0,0|0,0,0]=3 32720 B12R1.37 FCCCCCOC1CCCO1 f20d7ca93e907a22c265e1113c51af24 [0,2,0,1,0,0|0,0,0]=3 32721 B12R1.37 FCCCCCOC1CCOC1 823bfa62475e4c2ab49380cbe206abc4 [0,2,0,1,0,0|0,0,0]=3 32722 B12R1.37 FCCCCCOC1CCSC1 caa6493b144a8efec915d4da6dff4221 [0,2,0,1,0,0|0,0,0]=3 32723 B12R1.37 FCCCCCO[C@@H]1CCOC1 b82b448cadbc9129be58770e25bcc776 [0,2,0,1,0,0|0,0,0]=3 32724 B12R1.37 FCCCCCO[C@@H]1CCSC1 79ee2ca474eda6d7d471163b4669838d [0,2,0,1,0,0|0,0,0]=3 32725 B12R1.37 FCCCCCO[C@H]1CCOC1 f55afe2c91afe10b07bd3ca8965c12d5 [0,2,0,1,0,0|0,0,0]=3 32726 B12R1.37 FCCCCCO[C@H]1CCSC1 ffaf85d35f1221e1d14f3a28792868c6 [0,2,0,1,0,0|0,0,0]=3 32727 B12R1.37 FCCCCNCC1CCCC1 e3ebea6ffe392ad96542341c69ea5c98 [0,2,0,1,0,0|1,0,0]=4 32728 B12R1.37 FCCCCNCC1CCCO1 0380995affa796e9f9277bb48e2957b0 [0,2,0,1,0,0|1,0,0]=4 32729 B12R1.37 FCCCCNCC1CCOC1 0f654a8b5f44777d7779d63e923803ac [0,2,0,1,0,0|1,0,0]=4 32730 B12R1.37 FCCCCNC[C@@H]1CCCO1 6a5cae96aff04fed04d93b6832dca844 [0,2,0,1,0,0|1,0,0]=4 32731 B12R1.37 FCCCCNC[C@@H]1CCOC1 7e5c736216fbc550eda62a7d6e65ea1b [0,2,0,1,0,0|1,0,0]=4 32732 B12R1.37 FCCCCNC[C@H]1CCCO1 9f7404358b40344680ba5d9452f56668 [0,2,0,1,0,0|1,0,0]=4 32733 B12R1.37 FCCCCNC[C@H]1CCOC1 3634c59eae53bc05320cb39fad893c01 [0,2,0,1,0,0|1,0,0]=4 32734 B12R1.37 FCCCCOCC1C=CCC1 61a2417e5ca3fc21dd6b2ed7e2aa7f7d [0,2,0,1,0,0|0,0,1]=4 32735 B12R1.37 FCCCCOCC1CC=CC1 1680978d866370a78289d41e93053993 [0,2,0,1,0,0|0,0,1]=4 32736 B12R1.37 FCCCCOCC1CCCC1 7ec459cc6b248ce5f21ded8c9620d7ef [0,2,0,1,0,0|0,0,0]=3 32737 B12R1.37 FCCCCOCC1CCCO1 ef33343901126c05acb8d6d69f973d3a [0,2,0,1,0,0|0,0,0]=3 32738 B12R1.37 FCCCCOCC1CCCS1 9d29bc3fa0c9a9d75c654659edfcedf7 [0,2,0,1,0,0|0,0,0]=3 32739 B12R1.37 FCCCCOCC1CCOC1 ed438302a93c6baa28f5f39b5862c168 [0,2,0,1,0,0|0,0,0]=3 32740 B12R1.37 FCCCCOCN1CCCC1 20e5f8ee54efbe30979a663ed88d9ee2 [0,2,0,1,0,0|0,0,0]=3 32741 B12R1.37 FCCCCOC[C@@H]1CCCO1 3f22603e86669e441df331b1593cff87 [0,2,0,1,0,0|0,0,0]=3 32742 B12R1.37 FCCCCOC[C@@H]1CCOC1 f3067ca9d6ea209314f887d7cb35cf64 [0,2,0,1,0,0|0,0,0]=3 32743 B12R1.37 FCCCCOC[C@H]1CCCO1 3917230ee45af6151c640e14c9b9296c [0,2,0,1,0,0|0,0,0]=3 32744 B12R1.37 FCCCCOC[C@H]1CCOC1 eec336ea58d5bb297a3d66d715bd1875 [0,2,0,1,0,0|0,0,0]=3 32745 B12R1.37 FCCCNCCC1CCCC1 41ca0d318cf22de0a6f4fb23a6475082 [0,2,0,1,0,0|1,0,0]=4 32746 B12R1.37 FCCCNCCN1CCCC1 1aae601d3c00a67178c78c60ab61580a [0,2,0,1,0,0|1,0,0]=4 32747 B12R1.37 FCCCOCC=C1CCCC1 2e47b1d5ab643a1cb10f6fd8b8495912 [0,2,0,1,0,0|1,0,0]=4 32748 B12R1.37 FCCCOCCC1CCCC1 ccfab5d2eadb15d729ad4a2884bfb745 [0,2,0,1,0,0|1,0,0]=4 32749 B12R1.37 FCCCOCCC1CCCO1 61627a1662b4253c486afae9cbad384c [0,2,0,1,0,0|1,0,0]=4 32750 B12R1.37 FCCCOCCC1CCOC1 bcc3e6bcdd685077fc57b97f2bd75099 [0,2,0,1,0,0|1,0,0]=4 32751 B12R1.37 FCCCOCCN1CCCC1 683f350046b3f7fd230bae0cabbf1408 [0,2,0,1,0,0|1,0,0]=4 32752 B12R1.37 FCCCOCCN1CCOC1 5a167c04237aae8e00f98b724469acb6 [0,2,0,1,0,0|1,0,0]=4 32753 B12R1.37 FCCNCCCC1CCCC1 55e02c3f448391bfd93e241c7ce9c8e0 [0,2,0,1,0,0|1,0,0]=4 32754 B12R1.37 FCCNCCCN1CCCC1 cf5f440b2957789eacec8ebee5ab6b07 [0,2,0,1,0,0|1,0,0]=4 32755 B12R1.37 FCCNCCOC1CCCC1 608c6c8fc5c9b6d4003c4f5fc2dc53bc [0,2,0,1,0,0|0,0,0]=3 32756 B12R1.37 FCCNCCOC1CCOC1 ae12c28d7f2833415c7f9c6bd05e1168 [0,2,0,1,0,0|1,0,0]=4 32757 B12R1.37 FCCNCCSC1CCCC1 a38bb0cce0847b1cf301f4c2b5b421fa [0,2,0,1,0,0|0,1,0]=4 32758 B12R1.37 FCCOCCCC1CCCC1 2aa404e15b55266750d59fbd95b67f5a [0,2,0,1,0,0|1,0,0]=4 32759 B12R1.37 FCCOCCCN1CCCC1 343ecca853f92ec1ead1819c6fb400fa [0,2,0,1,0,0|1,0,0]=4 32760 B12R1.37 FCCOCCOC1CCCC1 7c432051ba5dbdae5b640337e4ca7a14 [0,2,0,1,0,0|0,0,0]=3 32761 B12R1.37 FCCOCCOC1CCOC1 a60c3374c152590c50be07222785be95 [0,2,0,1,0,0|1,0,0]=4 32762 B12R1.37 FCCOCCO[C@@H]1CCOC1 29a374cfb1d633dddb2c7fee00478778 [0,2,0,1,0,0|1,0,0]=4 32763 B12R1.37 FCCOCCO[C@H]1CCOC1 f1cf743e2621cb0eb0c1cd7bff8ce851 [0,2,0,1,0,0|1,0,0]=4 32764 B12R1.37 FCNCCCCC1CCCC1 0d1a9de52e035550083cd5075f0db219 [0,2,0,1,0,0|1,0,0]=4 32765 B12R1.37 FCNCCCCN1CCCC1 4ca0c4fce852b8338264b2e69b2a9ac6 [0,2,0,1,0,0|1,0,0]=4 32766 B12R1.37 FCNCCCOC1CCCC1 b02a4e4ee07b44dafe0e596e1122e921 [0,2,0,1,0,0|0,0,0]=3 32767 B12R1.37 FCNCCOCC1CCCO1 4fafd2a726a3f04242dc4a0d89ff559d [0,2,0,1,0,0|1,0,0]=4 32768 B12R1.37 FCOCCCCN1CCCC1 b3d15c9bc70a9c8e93d4368305465290 [0,2,0,1,0,0|1,0,0]=4 32769 B12R1.37 FCOCCCOC1CCCC1 20804edc5deaf4ffa648ddeea33cec5b [0,2,0,1,0,0|0,0,0]=3 32770 B12R1.37 ICCNCCCC1CCCC1 32fe34b3d83e62cf5b98867381cf1fed [0,2,0,1,0,0|1,0,0]=4 32771 B12R1.37 ICCNCCCN1CCCC1 d76631030e7514d03135546ae6bdcde2 [0,2,0,1,0,0|1,0,0]=4 32772 B12R1.37 ICCNCCOC1CCOC1 f233de76eb83159cd665fd2ffbd493b9 [0,2,0,1,0,0|1,0,0]=4 32773 B12R1.37 N#CCCCCNC1CCCC1 57b6841c782eff1547576bff1fb654f3 [0,2,0,1,0,0|1,0,0]=4 32774 B12R1.37 N#CCCCCOC1CCCC1 a83d4cd9728d16db740a04c2a848a61f [0,2,0,1,0,0|0,0,0]=3 32775 B12R1.37 N#CCCCCOC1CCCO1 b4dfee0c8d644729b752bdae756d1a3e [0,2,0,1,0,0|0,0,1]=4 32776 B12R1.37 N#CCCCCOC1CCOC1 a85908b52670e7661a2342b467cae361 [0,2,0,1,0,0|0,0,1]=4 32777 B12R1.37 N#CCCCCOC1CCSC1 8dbb276636946b2474a23fa401df4157 [0,2,0,1,0,0|0,0,1]=4 32778 B12R1.37 N#CCCCCO[C@@H]1CCOC1 74f485a68835208c8897b8ae3c7dd3a4 [0,2,0,1,0,0|0,0,1]=4 32779 B12R1.37 N#CCCCCO[C@@H]1CCSC1 828eb4b3652d6f8946cb92bca091603b [0,2,0,1,0,0|0,0,1]=4 32780 B12R1.37 N#CCCCCO[C@H]1CCOC1 7a60e25afcacd8b4eb3a696f2440806d [0,2,0,1,0,0|0,0,1]=4 32781 B12R1.37 N#CCCCCO[C@H]1CCSC1 f0846ea2d438657f71373f03bb5cee3d [0,2,0,1,0,0|0,0,1]=4 32782 B12R1.37 N#CCCCOCC1CCCC1 31889ff04eb17816dd4a8a7350f38dc9 [0,2,0,1,0,0|0,0,1]=4 32783 B12R1.37 N#CCCCOCC1CCCO1 930f9849b4792e2eed6d66402fb782b6 [0,2,0,1,0,0|0,0,1]=4 32784 B12R1.37 N#CCCCOCC1CCCS1 add94a1d30d64ffef882e3c4d649f947 [0,2,0,1,0,0|0,0,1]=4 32785 B12R1.37 N#CCCCOCC1CCOC1 1a24ce8d9731043331fd35b406e37021 [0,2,0,1,0,0|0,0,1]=4 32786 B12R1.37 N#CCCCOCN1CCCC1 b3c838d87dd7d98034f35b2b1f62b06a [0,2,0,1,0,0|0,0,1]=4 32787 B12R1.37 N#CCCCOC[C@@H]1CCCO1 daae97dbd5a7a4ebca821ce1c212ceb5 [0,2,0,1,0,0|0,0,1]=4 32788 B12R1.37 N#CCCCOC[C@@H]1CCOC1 e6813ecc73ad87b2b262f4e54255790d [0,2,0,1,0,0|0,0,1]=4 32789 B12R1.37 N#CCCCOC[C@H]1CCCO1 dbc16593fe2023ff61ec4e929035e416 [0,2,0,1,0,0|0,0,1]=4 32790 B12R1.37 N#CCCCOC[C@H]1CCOC1 6f8dc44ba59b2889416c0adb64e1437d [0,2,0,1,0,0|0,0,1]=4 32791 B12R1.37 N#CCNCCOC1CCCC1 109d069431b6e7da51a8d6595e6e9577 [0,2,0,1,0,0|0,0,1]=4 32792 B12R1.37 N#CCOCCOC1CCCC1 3cf16b6716ec64bec30f7c0713281836 [0,2,0,1,0,0|0,0,1]=4 32793 B12R1.37 NOCCCCNC1CCCC1 b0bb4e9acf8e4ab036bfe0f907b8cda1 [0,2,0,1,0,0|1,0,0]=4 32794 B12R1.37 O=CCCCCNC1CCCC1 28695a41e9088801c2c414d030a53b8c [0,2,0,1,0,0|1,0,0]=4 32795 B12R1.37 O=CCCCCOC1CCCC1 3b80c182c4507357882fe9b11c6238ec [0,2,0,1,0,0|0,0,0]=3 32796 B12R1.37 O=CCCCCOC1CCCO1 34a51a7a087a70e794a3b896c737bf33 [0,2,0,1,0,0|0,0,1]=4 32797 B12R1.37 O=CCCCCOC1CCOC1 1403d70ef0c8ed1b6ce214179b06ad4f [0,2,0,1,0,0|0,0,1]=4 32798 B12R1.37 O=CCCCCOC1CCSC1 ac1c8ad1a5316cdc20ecac2c191aabe1 [0,2,0,1,0,0|0,0,1]=4 32799 B12R1.37 O=CCCCCO[C@@H]1CCOC1 5fadc040a01c81aefc249e8228c7693f [0,2,0,1,0,0|0,0,1]=4 32800 B12R1.37 O=CCCCCO[C@@H]1CCSC1 0a6ee03f335ca9f7706e59f18b8fb3f2 [0,2,0,1,0,0|0,0,1]=4 32801 B12R1.37 O=CCCCCO[C@H]1CCOC1 6a052f4bbd0fc494885386650afe26dd [0,2,0,1,0,0|0,0,1]=4 32802 B12R1.37 O=CCCCCO[C@H]1CCSC1 8376f1ece9979a6c5efcee2fa8001e59 [0,2,0,1,0,0|0,0,1]=4 32803 B12R1.37 O=CCCCOCC1CCCC1 1c57d0fb7d1756642f244fd7f86b86a0 [0,2,0,1,0,0|0,0,1]=4 32804 B12R1.37 O=CCCCOCC1CCCO1 fe8e95eb5d93609790d8eeb6e0de5179 [0,2,0,1,0,0|0,0,1]=4 32805 B12R1.37 O=CCCCOCC1CCCS1 8cfbdca68be1170a9a9f29799b6a2bb5 [0,2,0,1,0,0|0,0,1]=4 32806 B12R1.37 O=CCCCOCC1CCOC1 09269d8d6967f483d80173ac1813afd1 [0,2,0,1,0,0|0,0,1]=4 32807 B12R1.37 O=CCCCOCN1CCCC1 933f382f090d980da7d2c3fc35cc43ed [0,2,0,1,0,0|0,0,1]=4 32808 B12R1.37 O=CCCCOC[C@@H]1CCCO1 304f73c174ed8ae480d5504a123c648d [0,2,0,1,0,0|0,0,1]=4 32809 B12R1.37 O=CCCCOC[C@@H]1CCOC1 0e88655d103ee6863c84d45078d0a28b [0,2,0,1,0,0|0,0,1]=4 32810 B12R1.37 O=CCCCOC[C@H]1CCCO1 6eec32d79435560dc871e90181b6d331 [0,2,0,1,0,0|0,0,1]=4 32811 B12R1.37 O=CCCCOC[C@H]1CCOC1 1f04f48896708093df1ee7ac0686ed9c [0,2,0,1,0,0|0,0,1]=4 32812 B12R1.37 O=CCNCCOC1CCCC1 039e5b631e66cc6e32160f116ad84046 [0,2,0,1,0,0|0,0,1]=4 32813 B12R1.37 O=CCOCCOC1CCCC1 984d0fe4b4f3b09e024d0b0ebfe3cb90 [0,2,0,1,0,0|0,0,1]=4 32814 B12R1.37 O=CNCCCOC1CCCC1 cbdf2d54b5c09289393fac30a627249e [0,2,0,1,0,0|0,0,1]=4 32815 B12R1.37 OCCCCCNC1CCCC1 2e43a5f1f18c11463c0aa4456dfc923e [0,2,0,1,0,0|1,0,0]=4 32816 B12R1.37 OCCCCCNC1CCOC1 2e7a22e2a82b43df8865c6914944fa3c [0,2,0,1,0,0|1,0,0]=4 32817 B12R1.37 OCCCCCNC1CCSC1 f6e6cbdfcc9f42cd3159e049f300cc7b [0,2,0,1,0,0|1,0,0]=4 32818 B12R1.37 OCCCCCN[C@@H]1CCOC1 08d2e267b1f0f6dc3121bfc2ff4cd809 [0,2,0,1,0,0|1,0,0]=4 32819 B12R1.37 OCCCCCN[C@H]1CCOC1 cea22b85f157b66eb7190c2a4674e575 [0,2,0,1,0,0|1,0,0]=4 32820 B12R1.37 OCCCCNCC1CCCC1 5b1214b277d131860cc3778a3691c055 [0,2,0,1,0,0|1,0,0]=4 32821 B12R1.37 OCCCCNCC1CCCO1 fac87b3c1c598e88fcaab8e432ce8786 [0,2,0,1,0,0|1,0,0]=4 32822 B12R1.37 OCCCCNCC1CCOC1 915aaadf75eb42540e0500f54fd07efd [0,2,0,1,0,0|1,0,0]=4 32823 B12R1.37 OCCCCNC[C@@H]1CCCO1 ba3dc8a6a67a7370664ee5dbd6d8bad3 [0,2,0,1,0,0|1,0,0]=4 32824 B12R1.37 OCCCCNC[C@@H]1CCOC1 f3517561f4794e30a5a7225976bc8d7f [0,2,0,1,0,0|1,0,0]=4 32825 B12R1.37 OCCCCNC[C@H]1CCCO1 b8826c4d72493bea76f6587cab551f9d [0,2,0,1,0,0|1,0,0]=4 32826 B12R1.37 OCCCCNC[C@H]1CCOC1 2b81e7024c9fbf3bd5e26771c0f6010d [0,2,0,1,0,0|1,0,0]=4 32827 B12R1.37 OCCCNCCC1CCCC1 5f92420aaf03eaa4713a44e5a539d477 [0,2,0,1,0,0|1,0,0]=4 32828 B12R1.37 OCCCNCCN1CCCC1 2822a203d712534c3e33ffb09fddf1bf [0,2,0,1,0,0|1,0,0]=4 32829 B12R1.37 OCCNCCCC1CCCC1 177ba57c849211480c1491985a78d360 [0,2,0,1,0,0|1,0,0]=4 32830 B12R1.37 OCCNCCCN1CCCC1 40456a189ef49646ab2203718a324ff9 [0,2,0,1,0,0|1,0,0]=4 32831 B12R1.37 OCCNCCOC1CCCC1 b77fa35d12607226f62f49f4341ea77e [0,2,0,1,0,0|0,0,0]=3 32832 B12R1.37 OCCNCCOC1CCOC1 b5bc9d2906333128f87aba3645cbb105 [0,2,0,1,0,0|1,0,0]=4 32833 B12R1.37 OCCNCCSC1CCCC1 32545c78b11464d0907541d5d2ddd0cf [0,2,0,1,0,0|0,1,0]=4 32834 B12R1.37 OCCOCCNC1CCCC1 3e757ada8c7a1936f94c24c13376294b [0,2,0,1,0,0|1,0,0]=4 32835 B12R1.37 OCCSCCNC1CCCC1 4dda352fed3040262381daabb825146c [0,2,0,1,0,0|1,0,0]=4 32836 B12R1.37 OCNCCCCC1CCCC1 2caa6d41bbbb8593321305492597919f [0,2,0,1,0,0|1,0,0]=4 32837 B12R1.37 OCNCCCCN1CCCC1 7f0988ed5f65cafd737e4cdb7955df70 [0,2,0,1,0,0|1,0,0]=4 32838 B12R1.37 OCNCCCOC1CCCC1 107cac7c1385e5b6e7f3a8b599fd033b [0,2,0,1,0,0|0,0,0]=3 32839 B12R1.37 OCNCCOCC1CCCO1 36cc2481b3ae19030c84d254fa16c028 [0,2,0,1,0,0|1,0,0]=4 32840 B12R1.37 SCCCCNCC1CCCC1 d3df585ef3e303effe2264087f276be3 [0,2,0,1,0,0|1,0,0]=4 32841 B12R1.37 SCCCCNCC1CCCO1 8fa0f4995911c63813e226752edc80e9 [0,2,0,1,0,0|1,0,0]=4 32842 B12R1.37 SCCCCNCC1CCOC1 4fabbdeb4e07d6cde12cb4f0c57da60b [0,2,0,1,0,0|1,0,0]=4 32843 B12R1.37 SCCCCOCC1CC=CC1 a0c04fd59e01403a588c789556cad2c7 [0,2,0,1,0,0|0,0,1]=4 32844 B12R1.37 SCCCCOCC1CCCC1 15c8242c25821441821333bdda38b5fa [0,2,0,1,0,0|0,0,0]=3 32845 B12R1.37 SCCCCOCC1CCCO1 5503964425ed050b4fcc3b711853e3dc [0,2,0,1,0,0|0,0,0]=3 32846 B12R1.37 SCCCCOCC1CCOC1 c72529effc04ae79795104078b2d17a8 [0,2,0,1,0,0|0,0,0]=3 32847 B12R1.37 SCCCNCCC1CCCC1 495c57f2e456bba96e21ee9c0b7cf39d [0,2,0,1,0,0|1,0,0]=4 32848 B12R1.37 SCCCNCCN1CCCC1 41579e761c6b24a3cec549737507324a [0,2,0,1,0,0|1,0,0]=4 32849 B12R1.37 SCCCOCC=C1CCCC1 0321e2849c393e0f87afbcd649ebbb8a [0,2,0,1,0,0|1,0,0]=4 32850 B12R1.37 SCCCOCCC1CCCC1 2e1a688c9ef416be00a4d3d6ec6135b7 [0,2,0,1,0,0|1,0,0]=4 32851 B12R1.37 SCCCOCCC1CCCO1 a545f8ad25430142b256c26ae20b3c92 [0,2,0,1,0,0|1,0,0]=4 32852 B12R1.37 SCCCOCCC1CCOC1 becd85b21bf22d09ce2f4672c7e7ddf8 [0,2,0,1,0,0|1,0,0]=4 32853 B12R1.37 SCCCOCCN1CCCC1 c3e1874a051c19c1be87b4ca022aec00 [0,2,0,1,0,0|1,0,0]=4 32854 B12R1.37 SCCCOCCN1CCOC1 cc7af0f1a614c71336b3f1fc33ff4532 [0,2,0,1,0,0|1,0,0]=4 32855 B12R1.37 SCCNCCCC1CCCC1 e7b53544b87a1833d7acf104fb7b2aa0 [0,2,0,1,0,0|1,0,0]=4 32856 B12R1.37 SCCNCCCN1CCCC1 b902ce4d4ceb2fe7765874b602c751bd [0,2,0,1,0,0|1,0,0]=4 32857 B12R1.37 SCCNCCOC1CCCC1 d30925806212b659be953ec70ab8caf8 [0,2,0,1,0,0|0,0,0]=3 32858 B12R1.37 SCCNCCOC1CCOC1 c21057f277e4e7e91695dcaa8ded6d6f [0,2,0,1,0,0|1,0,0]=4 32859 B12R1.37 SCCNCCSC1CCCC1 5b5e7a950fba454003fd65caa246a49c [0,2,0,1,0,0|0,1,0]=4 32860 B12R1.37 SCCOCCCC1CCCC1 2ba396866977958b89b9d8bc3be1c7dd [0,2,0,1,0,0|1,0,0]=4 32861 B12R1.37 SCCOCCCN1CCCC1 854c3ed7889d6cec671050d6ffb2d835 [0,2,0,1,0,0|1,0,0]=4 32862 B12R1.37 SCCOCCNC1CCCC1 8bb3b6f0ff9c2360bfa484018ad1d157 [0,2,0,1,0,0|1,0,0]=4 32863 B12R1.37 SCCOCCOC1CCCC1 4acd128d37bf649964745b79d8b7cf5f [0,2,0,1,0,0|0,0,0]=3 32864 B12R1.37 SCCOCCOC1CCOC1 ec318d7b5b63564a5055193ccca540c7 [0,2,0,1,0,0|1,0,0]=4 32865 B12R1.37 SCCOCCO[C@@H]1CCOC1 2cdfd69d32cd47af4a7ea5094f71112f [0,2,0,1,0,0|1,0,0]=4 32866 B12R1.37 SCCOCCO[C@H]1CCOC1 8dca79e37764736488589b4669011b8d [0,2,0,1,0,0|1,0,0]=4 32867 B12R1.51 C=CCC(C)COC1CCCC1 33307b5a606febc9c7ec69907f8fa1eb [0,2,0,1,0,0|0,0,1]=4 32868 B12R1.51 CC(CCO)CNC1CCCC1 cfae17aeb6c5472a02326d69fea4a1df [0,2,0,1,0,0|1,0,0]=4 32869 B12R1.51 CCCC(=O)CNC1CCCC1 9a4a4d9626f3134efce8838d40eda105 [0,2,0,1,0,0|1,0,0]=4 32870 B12R1.51 CCCC(=O)COC1CCCC1 4071714b381bd78a53d7cf9e1365d50f [0,2,0,1,0,0|0,0,0]=3 32871 B12R1.51 CCCC(=O)COC1CCCO1 57a2688735a65f75410539ea4e47637c [0,2,0,1,0,0|0,0,1]=4 32872 B12R1.51 CCCC(=O)COC1CCOC1 465a3d8f8145bed685a2535c60f725bf [0,2,0,1,0,0|0,0,1]=4 32873 B12R1.51 CCCC(=O)COC1CCSC1 acce18c85ef129b02cbf737e34806cba [0,2,0,1,0,0|0,0,1]=4 32874 B12R1.51 CCCC(=O)CO[C@@H]1CCOC1 04bea930988411b195803f903f1d18af [0,2,0,1,0,0|0,0,1]=4 32875 B12R1.51 CCCC(=O)CO[C@@H]1CCSC1 02b931fa3999a2b72644140dbab23e7e [0,2,0,1,0,0|0,0,1]=4 32876 B12R1.51 CCCC(=O)CO[C@H]1CCOC1 cec648ad9dd32184675609608d128867 [0,2,0,1,0,0|0,0,1]=4 32877 B12R1.51 CCCC(=O)CO[C@H]1CCSC1 5fc01749ae16840b02a1cee6e6f6721b [0,2,0,1,0,0|0,0,1]=4 32878 B12R1.51 CCCC(=S)OCC1CCCC1 dbb56b416236bceabe144b79562a70fc [0,2,0,1,0,0|0,0,1]=4 32879 B12R1.51 CCCC(=S)OCC1CCCO1 b0b7deffb14dc9b7b714948792f41892 [0,2,0,1,0,0|0,0,1]=4 32880 B12R1.51 CCCC(=S)OCC1CCOC1 96f491f1917c321df4bf780870050342 [0,2,0,1,0,0|0,0,1]=4 32881 B12R1.51 CCCC(C)CNC1CCCC1 322e87b081d02c0f0a90548fc5cd080b [0,2,0,1,0,0|1,0,0]=4 32882 B12R1.51 CCCC(C)CNC1CCOC1 4acf431f2b62a89f58865d1d66adc113 [0,2,0,1,0,0|1,0,0]=4 32883 B12R1.51 CCCC(C)CNC1CCSC1 b59c45d50e10ddcf2b2e61565242bd4b [0,2,0,1,0,0|1,0,0]=4 32884 B12R1.51 CCCC(C)CN[C@@H]1CCOC1 d717dcb15befb658c8230e69e13fa4ef [0,2,0,1,0,0|1,0,0]=4 32885 B12R1.51 CCCC(C)CN[C@H]1CCOC1 36c19cc925c339f36f6693a4798680f8 [0,2,0,1,0,0|1,0,0]=4 32886 B12R1.51 CCCC(C)COC1C=CCC1 45bfb5d55d27e7b86cb06d7da6460537 [0,2,0,1,0,0|0,0,1]=4 32887 B12R1.51 CCCC(C)COC1CC=CC1 4044d386a0befa4e706285b8c94f96c1 [0,2,0,1,0,0|0,0,1]=4 32888 B12R1.51 CCCC(C)COC1CCCC1 1cb99423b3f8c2cbdac8897419e11b4d [0,2,0,1,0,0|0,0,0]=3 32889 B12R1.51 CCCC(C)COC1CCCO1 b4ced65e45eb8d70ef453cfd16166fa2 [0,2,0,1,0,0|0,0,0]=3 32890 B12R1.51 CCCC(C)COC1CCOC1 d1af97dd8bc6ee40e8ffa5e8af29d7a3 [0,2,0,1,0,0|0,0,0]=3 32891 B12R1.51 CCCC(C)COC1CCSC1 209f91116da594499ac8c25985722510 [0,2,0,1,0,0|0,0,0]=3 32892 B12R1.51 CCCC(C)CO[C@@H]1CCOC1 55bebfc328f52cf97733889c361ad7e3 [0,2,0,1,0,0|0,0,0]=3 32893 B12R1.51 CCCC(C)CO[C@@H]1CCSC1 da0005f9b4b04f616cc8bb1d05f438e9 [0,2,0,1,0,0|0,0,0]=3 32894 B12R1.51 CCCC(C)CO[C@H]1CCOC1 1515fda1e1b0edf9d71d998c2270c6bd [0,2,0,1,0,0|0,0,0]=3 32895 B12R1.51 CCCC(C)CO[C@H]1CCSC1 126e7b8ee00fe193773da10ed505ab34 [0,2,0,1,0,0|0,0,0]=3 32896 B12R1.51 CCCC(C)NCC1CCCC1 e4cc212aa39a4a54152e6a7f3770b828 [0,2,0,1,0,0|1,0,0]=4 32897 B12R1.51 CCCC(C)NCC1CCCO1 1d9bfc757b8ba39bd1e204b6ca3ea08c [0,2,0,1,0,0|1,0,0]=4 32898 B12R1.51 CCCC(C)NCC1CCOC1 938d368347ab40a1041e9529593e7659 [0,2,0,1,0,0|1,0,0]=4 32899 B12R1.51 CCCC(C)NC[C@@H]1CCCO1 f01379694ceb6fb46825808caf93d60f [0,2,0,1,0,0|1,0,0]=4 32900 B12R1.51 CCCC(C)NC[C@@H]1CCOC1 10d3a453582b86ff440f2029bea8565b [0,2,0,1,0,0|1,0,0]=4 32901 B12R1.51 CCCC(C)NC[C@H]1CCCO1 d1205419d3eb2c5134207b7a8b4eb124 [0,2,0,1,0,0|1,0,0]=4 32902 B12R1.51 CCCC(C)NC[C@H]1CCOC1 6da0760817445f96075750412cca8666 [0,2,0,1,0,0|1,0,0]=4 32903 B12R1.51 CCCC(C)OCC1C=CCC1 43ab0838cf1a7854b1b87a2fb89ef3ad [0,2,0,1,0,0|0,0,1]=4 32904 B12R1.51 CCCC(C)OCC1CC=CC1 e75d38e51296eb0cfeec4dfa07119e8b [0,2,0,1,0,0|0,0,1]=4 32905 B12R1.51 CCCC(C)OCC1CCCC1 1808933eb5de90ba7eaa5373a0c14484 [0,2,0,1,0,0|0,0,0]=3 32906 B12R1.51 CCCC(C)OCC1CCCO1 f9b187f6ca284fcc83cf9580d2a6b19a [0,2,0,1,0,0|0,0,0]=3 32907 B12R1.51 CCCC(C)OCC1CCCS1 85fb708e4034a414380440c69e9c1c21 [0,2,0,1,0,0|0,0,0]=3 32908 B12R1.51 CCCC(C)OCC1CCOC1 686ad168a67809c743ee521dc11721ed [0,2,0,1,0,0|0,0,0]=3 32909 B12R1.51 CCCC(C)OCN1CCCC1 92340d4cff1408ff8ec9e0cf124063ff [0,2,0,1,0,0|0,0,0]=3 32910 B12R1.51 CCCC(C)OC[C@@H]1CCCO1 fc073b0267cd3b0a3dc9e7d6262160f9 [0,2,0,1,0,0|0,0,0]=3 32911 B12R1.51 CCCC(C)OC[C@@H]1CCOC1 f624df10708dd34f7ae3ca69ba18c80d [0,2,0,1,0,0|0,0,0]=3 32912 B12R1.51 CCCC(C)OC[C@H]1CCCO1 429e40dcdb6d69fb6e4bdd5d7b4910ed [0,2,0,1,0,0|0,0,0]=3 32913 B12R1.51 CCCC(C)OC[C@H]1CCOC1 317058b2f77f78dc6cd12a471a6fc861 [0,2,0,1,0,0|0,0,0]=3 32914 B12R1.51 CCCC(O)CNC1CCCC1 5d698211e1689120fbd84aa4cca38217 [0,2,0,1,0,0|1,0,0]=4 32915 B12R1.51 CCCC(O)CNC1CCOC1 1cab4e7b127f52869035a8841a2d407e [0,2,0,1,0,0|1,0,0]=4 32916 B12R1.51 CCCC(O)CN[C@@H]1CCOC1 45a044083f1f11ca1378d04bbe163add [0,2,0,1,0,0|1,0,0]=4 32917 B12R1.51 CCCC(O)CN[C@H]1CCOC1 dbf98fd8ed0e22859f8e9034fc86cf1c [0,2,0,1,0,0|1,0,0]=4 32918 B12R1.51 CCCN(C)CCC1CCCC1 0dca9f74e9cb5055e3c4cbe4d26b8e62 [0,2,0,1,0,0|1,0,0]=4 32919 B12R1.51 CCCN(C)CCN1CCCC1 43203d87263f87b5434d35a0744a12cb [0,2,0,1,0,0|1,0,0]=4 32920 B12R1.51 CCC[C@@H](C)OCC1CC=CC1 f7ca886d9446def89d5a23fc98278d69 [0,2,0,1,0,0|0,0,1]=4 32921 B12R1.51 CCC[C@@H](C)OCC1CCCC1 4d8e153605cd37943335cc3be94c5e7c [0,2,0,1,0,0|0,0,0]=3 32922 B12R1.51 CCC[C@@H](C)OCC1CCCO1 c92f0295cf0b410da1ba5b9eeb1c4365 [0,2,0,1,0,0|0,0,0]=3 32923 B12R1.51 CCC[C@@H](C)OCC1CCOC1 9d4730236e439fbd1c94395ea6d37c82 [0,2,0,1,0,0|0,0,0]=3 32924 B12R1.51 CCC[C@H](C)NCC1CCCC1 045434c29cee8d37f62bba53b25ca70a [0,2,0,1,0,0|1,0,0]=4 32925 B12R1.51 CCC[C@H](C)NCC1CCCO1 60d86e4991e1513ed870f71afdb3e5b5 [0,2,0,1,0,0|1,0,0]=4 32926 B12R1.51 CCC[C@H](C)NCC1CCOC1 b558ce2b5c7c55a208a795766b9830fa [0,2,0,1,0,0|1,0,0]=4 32927 B12R1.51 CCC[C@H](C)OCC1CC=CC1 1c82db281d3316773e1713831710f6f6 [0,2,0,1,0,0|0,0,1]=4 32928 B12R1.51 CCC[C@H](C)OCC1CCCC1 b9ce31dd9a49392e934bb36b943ecb9e [0,2,0,1,0,0|0,0,0]=3 32929 B12R1.51 CCC[C@H](C)OCC1CCCO1 e671b0d46e44d9456c79af588c8e3434 [0,2,0,1,0,0|0,0,0]=3 32930 B12R1.51 CCC[C@H](C)OCC1CCOC1 c72b71bb812057371cc2770ebb57e7c2 [0,2,0,1,0,0|0,0,0]=3 32931 B12R1.51 CCNC(=O)COC1CCCC1 a35c2466cf72cd04a0d31e930cbcfefc [0,2,0,1,0,0|0,0,1]=4 32932 B12R1.51 CCOC(=O)COC1CCCC1 ac71fdfb9de8db34ecb53d8b4837512e [0,2,0,1,0,0|0,0,1]=4 32933 B12R1.51 CCOC(C)CNC1CCCC1 2a3ce6e5a5d195c8a435c00c66821a33 [0,2,0,1,0,0|1,0,0]=4 32934 B12R1.51 CCOC(C)COC1CCCC1 b997b1fbb2cae46803f106a67a6d3a3f [0,2,0,1,0,0|0,0,0]=3 32935 B12R1.51 CCOC(C)COC1CCOC1 6e67efdc92c610c2fefe47d0966d203e [0,2,0,1,0,0|1,0,0]=4 32936 B12R1.51 CCOC(C)CO[C@@H]1CCOC1 5a5cf6caa5d6c9044203d179f8aec238 [0,2,0,1,0,0|1,0,0]=4 32937 B12R1.51 CCOC(C)CO[C@H]1CCOC1 3bd39c383c8cc9667a9c91ed67fcd2a5 [0,2,0,1,0,0|1,0,0]=4 32938 B12R1.51 COCC(=O)COC1CCCC1 8df1326a8ad57557cf382b6bcdf97036 [0,2,0,1,0,0|0,0,1]=4 32939 B12R1.51 COCC(C)COC1CCCC1 c1d82f8d105557fce4bc9ccdadf6abc4 [0,2,0,1,0,0|0,0,0]=3 32940 B12R1.51 COCC(C)OCC1CCCC1 1ef6957025b8a9c67ea4c4188087c645 [0,2,0,1,0,0|1,0,0]=4 32941 B12R1.51 COCC(C)OCC1CCCO1 a8048f041e92d7e5afc3040d818b39d6 [0,2,0,1,0,0|1,0,0]=4 32942 B12R1.51 COCC(C)OCC1CCCS1 e4fb6179bd2ccad2d74c9902f02c0b43 [0,2,0,1,0,0|1,0,0]=4 32943 B12R1.51 COCC(C)OCC1CCOC1 419d4aedcf7fa6a0b5c8d0d6dd778bcf [0,2,0,1,0,0|1,0,0]=4 32944 B12R1.51 COCC(C)OCN1CCCC1 e8a3f12ff7f6330bb3829933b714126a [0,2,0,1,0,0|1,0,0]=4 32945 B12R1.51 COCC(C)OC[C@@H]1CCCO1 9b8a1d5f5e30cc014353632fab54a0cd [0,2,0,1,0,0|1,0,0]=4 32946 B12R1.51 COCC(C)OC[C@@H]1CCOC1 681f2b0b36b9f389fc93a0066b5e873d [0,2,0,1,0,0|1,0,0]=4 32947 B12R1.51 COCC(C)OC[C@H]1CCCO1 d1743fc7d49d8cc2ea834ea3255e9fe5 [0,2,0,1,0,0|1,0,0]=4 32948 B12R1.51 COCC(C)OC[C@H]1CCOC1 1f45966b6027e0f461463a379dc0c644 [0,2,0,1,0,0|1,0,0]=4 32949 B12R1.51 COCC(O)CNC1CCCC1 b9e523a156afa235005909dff6c839de [0,2,0,1,0,0|1,0,0]=4 32950 B12R1.51 COC[C@@H](C)OCC1CCCC1 31528cae521b71fb55d07ec0cec0b298 [0,2,0,1,0,0|1,0,0]=4 32951 B12R1.51 COC[C@@H](C)OCC1CCCO1 c41cbfb83f9b28e98ba54a1c4071a585 [0,2,0,1,0,0|1,0,0]=4 32952 B12R1.51 COC[C@@H](C)OCC1CCOC1 4e4f1972258cc3c26bf88f55590504e9 [0,2,0,1,0,0|1,0,0]=4 32953 B12R1.51 COC[C@@H](O)CNC1CCCC1 a95b4d85da0ae9c76e4bd8eb75b0f545 [0,2,0,1,0,0|1,0,0]=4 32954 B12R1.51 COC[C@H](C)COC1CCCC1 afa883c4012a2166726c20b13c91bbe7 [0,2,0,1,0,0|0,0,0]=3 32955 B12R1.51 COC[C@H](C)OCC1CCCC1 8947c85bbb7b3825658e2a7c34f92141 [0,2,0,1,0,0|1,0,0]=4 32956 B12R1.51 COC[C@H](C)OCC1CCCO1 42de6dc437537f45c6209ae3aa75a4a3 [0,2,0,1,0,0|1,0,0]=4 32957 B12R1.51 COC[C@H](C)OCC1CCOC1 2f588d056e01cf9b26c22ba36cbec3c7 [0,2,0,1,0,0|1,0,0]=4 32958 B12R1.51 CSCC(C)OCC1CCCC1 5eb892d34e6f902be6e8e03248d6e945 [0,2,0,1,0,0|1,0,0]=4 32959 B12R1.51 CSCC(C)OCC1CCCO1 109efdfff3423b815cab459edb0a4aa0 [0,2,0,1,0,0|1,0,0]=4 32960 B12R1.51 CSCC(C)OCC1CCOC1 5a9403af070843117c997136dc87e2e8 [0,2,0,1,0,0|1,0,0]=4 32961 B12R1.51 OCC[C@H](O)CNC1CCCC1 aac1ee6529a6c3ec07da1c2198b0f2c9 [0,2,0,1,0,0|1,0,0]=4 32962 B12R1.51 OCC[C@H](O)COC1CCCC1 979dfd94a405aa34071d506f1fc63cb2 [0,2,0,1,0,0|0,0,0]=3 32963 B12R1.51 OCC[C@H](O)COC1CCCO1 c5e3e3ff553728e150be05a627222c7f [0,2,0,1,0,0|1,0,0]=4 32964 B12R1.51 OCC[C@H](O)COC1CCOC1 8213e346ca4f95017375b91ee42716d1 [0,2,0,1,0,0|1,0,0]=4 32965 B12R1.51 OCC[C@H](O)COC1CCSC1 383fc03f308283b6ef1daecbeea7ea75 [0,2,0,1,0,0|1,0,0]=4 32966 B12R1.51 OCC[C@H](O)CO[C@@H]1CCOC1 cba97113efcdb37bdd30f8234c31afbb [0,2,0,1,0,0|1,0,0]=4 32967 B12R1.51 OCC[C@H](O)CO[C@@H]1CCSC1 3ab5f058520209e883305724933bdbc9 [0,2,0,1,0,0|1,0,0]=4 32968 B12R1.51 OCC[C@H](O)CO[C@H]1CCOC1 66d593e6ba20e2ec5ac67781a828935e [0,2,0,1,0,0|1,0,0]=4 32969 B12R1.51 OCC[C@H](O)CO[C@H]1CCSC1 bc65a27d74e09de9318a4fc901a01921 [0,2,0,1,0,0|1,0,0]=4 32970 B12R1.62 C#CCCCCOC1CC(C1)C 949de0315613fe54799aec57d7ce3126 [0,2,0,1,0,0|0,0,1]=4 32971 B12R1.62 C#CCCCCOC1CC(C1)F c413622d6a5cf74dc78606e9d77c3b44 [0,2,0,1,0,0|0,0,1]=4 32972 B12R1.62 C#CCCCCO[C@H]1C[C@@H](C1)F 3fa15b95b77cbb93dec7db2df1ec77ef [0,2,0,1,0,0|0,0,1]=4 32973 B12R1.62 C#CCCCCO[C@H]1C[C@H](C1)F 88a3eb660cc6d1c49e120a581221ef09 [0,2,0,1,0,0|0,0,1]=4 32974 B12R1.62 C#CCCCOCC1CC(C1)C 5e99962e89fbafe613ba63826df8c1b2 [0,2,0,1,0,0|0,0,1]=4 32975 B12R1.62 C#CCCCOCC1CC(C1)F 6a9bca03749d891a71f507f5cba263e5 [0,2,0,1,0,0|0,0,1]=4 32976 B12R1.62 C#CCCCOC[C@H]1C[C@@H](C1)C 50044faa3682ac14941b85b08e7238d4 [0,2,0,1,0,0|0,0,1]=4 32977 B12R1.62 C#CCCCOC[C@H]1C[C@H](C1)F 3302969d8141335a0e33efb3565baf26 [0,2,0,1,0,0|0,0,1]=4 32978 B12R1.62 C/C=C/CCOCC1CC(C1)C 271b106cd7a7bbbd1dc504c421e5df4f [0,2,0,1,0,0|0,0,1]=4 32979 B12R1.62 C/C=C/CCOC[C@H]1C[C@H](C1)F 4f0948b18b09050887118ef7f11b4003 [0,2,0,1,0,0|0,0,1]=4 32980 B12R1.62 C/C=C\CCCOC1CC(C1)C 0e87a05197757856ecc313283ae5117c [0,2,0,1,0,0|0,0,1]=4 32981 B12R1.62 C/C=C\CCCOC1CC(C1)F 1dab8ca481e07cfaa2884d77ca099e9a [0,2,0,1,0,0|0,0,1]=4 32982 B12R1.62 C/C=C\CCCO[C@H]1C[C@@H](C1)F 546555870330ebbd555e0f9fbd9d60f4 [0,2,0,1,0,0|0,0,1]=4 32983 B12R1.62 C/C=C\CCCO[C@H]1C[C@H](C1)F 505ea0947f497443eae2b99a043a20d5 [0,2,0,1,0,0|0,0,1]=4 32984 B12R1.62 C=C1CC(C1)CNCCCCC 5a65f02a93ec2b599aa1c90b6e3f56b0 [0,2,0,1,0,0|1,0,0]=4 32985 B12R1.62 C=C1CC(C1)COCCCCC 21e0abcf2b2d18d2dc1bcf4287d1e63c [0,2,0,1,0,0|0,0,0]=3 32986 B12R1.62 C=C1CC(C1)COCCCCF 6b9bb68fecc99edfddda4ea3874cff31 [0,2,0,1,0,0|0,0,1]=4 32987 B12R1.62 C=C1CC(C1)COCCCCS df9e0a0756cb211694897b818ffccad7 [0,2,0,1,0,0|0,0,1]=4 32988 B12R1.62 C=C1CC(C1)COCCCOC b3ea4e2c4c6376fe17084295a7ef2dd3 [0,2,0,1,0,0|0,0,1]=4 32989 B12R1.62 C=C1CC(C1)COCCCSC d1ed42742d50b4e7135669a753894e50 [0,2,0,1,0,0|0,0,1]=4 32990 B12R1.62 C=C1CC(C1)COCCOCC 3f404c93ead472e7ed20f9c37ce8565e [0,2,0,1,0,0|0,0,1]=4 32991 B12R1.62 C=C1CC(C1)COCCSCC 2a91c8baae70f98d3957fb870e4de55d [0,2,0,1,0,0|0,0,1]=4 32992 B12R1.62 C=CCCCCOC1CC(C1)C 09205cc4056ad9e8f8bdaadb80479b2e [0,2,0,1,0,0|0,0,1]=4 32993 B12R1.62 C=CCCCCOC1CC(C1)F f154c2f13b759cf04a580ccb9f0434d4 [0,2,0,1,0,0|0,0,1]=4 32994 B12R1.62 C=CCCCCO[C@H]1C[C@@H](C1)F bec0813fe181d49f93901c1d9f76e68b [0,2,0,1,0,0|0,0,1]=4 32995 B12R1.62 C=CCCCCO[C@H]1C[C@H](C1)F 88a11477758df95c14e0ec6652658d6f [0,2,0,1,0,0|0,0,1]=4 32996 B12R1.62 C=CCCCOCC1CC(C1)C 31772428838450aa562bc58e4abcfd6d [0,2,0,1,0,0|0,0,1]=4 32997 B12R1.62 C=CCCCOCC1CC(C1)F 3886b62c6666ab965bf7013c25f61697 [0,2,0,1,0,0|0,0,1]=4 32998 B12R1.62 C=CCCCOC[C@H]1C[C@@H](C1)C 694c67973a60606f7bba8c8a2c85ec62 [0,2,0,1,0,0|0,0,1]=4 32999 B12R1.62 C=CCCCOC[C@H]1C[C@H](C1)F da62d1771c4d8ae37f2b64f4c5ead24e [0,2,0,1,0,0|0,0,1]=4 33000 B12R1.62 CC#CCCOCC1CC(C1)C 4a082515ef371fd202bd27450c8d1261 [0,2,0,1,0,0|0,0,1]=4 33001 B12R1.62 CC#CCCOC[C@H]1C[C@H](C1)F faffccac3a2a4c6495f72ce2622e5eda [0,2,0,1,0,0|0,0,1]=4 33002 B12R1.62 CC/C=C/COCC1CC(C1)C cfe71dbb0434d44fd393e2b4cee01088 [0,2,0,1,0,0|0,0,1]=4 33003 B12R1.62 CC/C=C/COCC1CC(C1)F 7c61dc0b7b7e662f61f4dab8e6e7be87 [0,2,0,1,0,0|0,0,1]=4 33004 B12R1.62 CC/C=C/COC[C@H]1C[C@@H](C1)C 3bef278088ece1870300ae67b2082e99 [0,2,0,1,0,0|0,0,1]=4 33005 B12R1.62 CC/C=C/COC[C@H]1C[C@H](C1)F be2161434a5c18a129dc25cc272d3aed [0,2,0,1,0,0|0,0,1]=4 33006 B12R1.62 CC/C=C\CCOC1CC(C1)C ad1e1cde29ff2fd6660f867e517cf8e0 [0,2,0,1,0,0|0,0,1]=4 33007 B12R1.62 CC/C=C\CCOC1CC(C1)F b0a61fa0079bd47579538af52a36ddd7 [0,2,0,1,0,0|0,0,1]=4 33008 B12R1.62 CC/C=C\CCO[C@H]1C[C@@H](C1)F 62c612aaedc8d46e923117bbcff5769a [0,2,0,1,0,0|0,0,1]=4 33009 B12R1.62 CC/C=C\CCO[C@H]1C[C@H](C1)F ca0f7f109a0d5eaa400d3e69f47fac3b [0,2,0,1,0,0|0,0,1]=4 33010 B12R1.62 CC/C=C\COCC1CC(C1)C 1b65ab7d76ebdaaedaad9a0858493f15 [0,2,0,1,0,0|0,0,1]=4 33011 B12R1.62 CC/C=C\COC[C@H]1C[C@H](C1)F 18fbc351402d73925d3375bb219d5cef [0,2,0,1,0,0|0,0,1]=4 33012 B12R1.62 CC1CC(C1)CNCCCCCl 739705ca5a09542fb8f4d18d1b908ab1 [0,2,0,1,0,0|1,0,0]=4 33013 B12R1.62 CC1CC(C1)CNCCCCO 61f3261e2142913987b520afc40271f2 [0,2,0,1,0,0|1,0,0]=4 33014 B12R1.62 CC1CC(C1)CNCCCCS 550c12fe9720ade9c08ca27170edf129 [0,2,0,1,0,0|1,0,0]=4 33015 B12R1.62 CC1CC(C1)COCCCC#N 4ec8e2c1f48c36533f1fc84a27ab60a5 [0,2,0,1,0,0|0,0,1]=4 33016 B12R1.62 CC1CC(C1)COCCCC=O b88064ce4c089aa0b06228219d322089 [0,2,0,1,0,0|0,0,1]=4 33017 B12R1.62 CC1CC(C1)COCCCCF 93e2289b0e201d53deb7065e09354532 [0,2,0,1,0,0|0,0,0]=3 33018 B12R1.62 CC1CC(C1)COCCCCS e3fffd30ebd09c386d8fd1095cedf602 [0,2,0,1,0,0|0,0,0]=3 33019 B12R1.62 CC1CC(C1)OCCCCC#N 14ea5b4c3d37558f0222f397b06314af [0,2,0,1,0,0|0,0,1]=4 33020 B12R1.62 CC1CC(C1)OCCCCC=O 02813efd77efc9cafdf29366ff3cfc73 [0,2,0,1,0,0|0,0,1]=4 33021 B12R1.62 CC1CC(C1)OCCCCCF 3959368730b2b7311c1f7de01a72bcd3 [0,2,0,1,0,0|0,0,0]=3 33022 B12R1.62 CCC#CCOCC1CC(C1)C 61004a9661d4bc10944389f70d19abc6 [0,2,0,1,0,0|0,0,1]=4 33023 B12R1.62 CCC#CCOC[C@H]1C[C@@H](C1)C 4316e33cdfa194c54e70fc2c711f1b9d [0,2,0,1,0,0|0,0,1]=4 33024 B12R1.62 CCC#CCOC[C@H]1C[C@H](C1)F c97ccc19e8445b7cf1d9d6e56edecbb1 [0,2,0,1,0,0|0,0,1]=4 33025 B12R1.62 CCC/C=C/COC1CC(C1)C f4fc5654cb18a3f625419e10978d3f46 [0,2,0,1,0,0|0,0,1]=4 33026 B12R1.62 CCC/C=C/COC1CC(C1)F 124568c7aab9a5e43bbdad90789410ff [0,2,0,1,0,0|0,0,1]=4 33027 B12R1.62 CCC/C=C/CO[C@H]1C[C@@H](C1)F 839f907acb37331c7eb898862fe69e6c [0,2,0,1,0,0|0,0,1]=4 33028 B12R1.62 CCC/C=C/CO[C@H]1C[C@H](C1)F e88d4c0f06f90a4b7988d083bc73910e [0,2,0,1,0,0|0,0,1]=4 33029 B12R1.62 CCC/C=C\COC1CC(C1)C d037d009a10fe0543f7a657fcecc815f [0,2,0,1,0,0|0,0,1]=4 33030 B12R1.62 CCC/C=C\COC1CC(C1)F 61ff637e8a001eaf76a7fc49b72454c8 [0,2,0,1,0,0|0,0,1]=4 33031 B12R1.62 CCC/C=C\CO[C@H]1C[C@@H](C1)F d383d0b5b4d17929f20c7636442acc95 [0,2,0,1,0,0|0,0,1]=4 33032 B12R1.62 CCC/C=C\CO[C@H]1C[C@H](C1)F bc1818cbd62fe12d0096d7fec0bb295d [0,2,0,1,0,0|0,0,1]=4 33033 B12R1.62 CCCCCCCN1CC(C1)F d440965ec0980a102cd980d029eda2f7 [0,2,0,1,0,0|1,0,0]=4 33034 B12R1.62 CCCCCCCN1CC(C1)O 21208d961ce63cf50b736570900e0b5e [0,2,0,1,0,0|1,0,0]=4 33035 B12R1.62 CCCCCCNC1CC(C1)F 948864e95d2d7dbd57086faa5b10eb28 [0,2,0,1,0,0|1,0,0]=4 33036 B12R1.62 CCCCCCNC1CC(C1)O cced06f111028f76c0680e5f6d3f8640 [0,2,0,1,0,0|1,0,0]=4 33037 B12R1.62 CCCCCCN[C@H]1C[C@@H](C1)F d64f60bdb2d9226ab5c97fed27d1730d [0,2,0,1,0,0|1,0,0]=4 33038 B12R1.62 CCCCCCN[C@H]1C[C@@H](C1)O 5308d9d5ef557a784a3ecee549a5cc12 [0,2,0,1,0,0|1,0,0]=4 33039 B12R1.62 CCCCCCN[C@H]1C[C@H](C1)F 4867703b0cbbf857fb92b3ffce4b0f18 [0,2,0,1,0,0|1,0,0]=4 33040 B12R1.62 CCCCCCN[C@H]1C[C@H](C1)O 61f7a9d85e87910535bc756c554af22e [0,2,0,1,0,0|1,0,0]=4 33041 B12R1.62 CCCCCCOC1CC(=O)C1 2cd7f90bbace9d85b6a2d2d1bb700c2c [0,2,0,1,0,0|0,0,1]=4 33042 B12R1.62 CCCCCCOC1CC(C1)C e966a836f2b197cf8ad713c9b339774b [0,2,0,1,0,0|0,0,0]=3 33043 B12R1.62 CCCCCCOC1CC(C1)F a21f5c403da3ff53dd3d788acb7af405 [0,2,0,1,0,0|0,0,0]=3 33044 B12R1.62 CCCCCCOC1CN(C1)C 276e4d99f6a8265dd5ea79e1ca7e4105 [0,2,0,1,0,0|1,0,0]=4 33045 B12R1.62 CCCCCCO[C@H]1C[C@@H](C1)F 16b205ba039d7e5a8ad9c6350c636437 [0,2,0,1,0,0|0,0,0]=3 33046 B12R1.62 CCCCCCO[C@H]1C[C@H](C1)F 679fe3e629c6d177ad2133ba0a328540 [0,2,0,1,0,0|0,0,0]=3 33047 B12R1.62 CCCCCNCC1CC(=O)C1 aa4bb3cf22a9bb2bcf82c4f43ac6b6c0 [0,2,0,1,0,0|1,0,0]=4 33048 B12R1.62 CCCCCNCC1CC(C1)C 6a2615bcd028474fc14f0f1db1edc828 [0,2,0,1,0,0|1,0,0]=4 33049 B12R1.62 CCCCCNCC1CC(C1)O 1ac7f908f0586508c4eaf7247b828925 [0,2,0,1,0,0|1,0,0]=4 33050 B12R1.62 CCCCCNCC1CN(C1)C 40b72a91984bc2ca9674f1ca10a97c5c [0,2,0,1,0,0|1,0,0]=4 33051 B12R1.62 CCCCCNC[C@H]1C[C@@H](C1)O c5028ccc62811fcafbd4e0026bb2203b [0,2,0,1,0,0|1,0,0]=4 33052 B12R1.62 CCCCCNC[C@H]1C[C@H](C1)F 97cd170b57570abdb81b0a71795fb76e [0,2,0,1,0,0|1,0,0]=4 33053 B12R1.62 CCCCCNC[C@H]1C[C@H](C1)O db0495d67160823d6213f78b7c977a76 [0,2,0,1,0,0|1,0,0]=4 33054 B12R1.62 CCCCCOCC1CC(=O)C1 ae46d75230b4b94a7655de6648f931e6 [0,2,0,1,0,0|0,0,0]=3 33055 B12R1.62 CCCCCOCC1CC(=O)N1 98b797dcb2a67c991fa3c462d58b51b8 [0,2,0,1,0,0|0,0,1]=4 33056 B12R1.62 CCCCCOCC1CC(=O)O1 afd83f8ec1447a38903a8d2b07eff09e [0,2,0,1,0,0|0,0,1]=4 33057 B12R1.62 CCCCCOCC1CC(C1)C 3a6cb5d1c209f45d6f8e668c6d74dd74 [0,2,0,1,0,0|0,0,0]=3 33058 B12R1.62 CCCCCOCC1CC(C1)F aa42d5b4a2e86b960a478d277d07f200 [0,2,0,1,0,0|0,0,0]=3 33059 B12R1.62 CCCCCOCC1CN(C1)C e6d1106ff6005fa2d822a7d401f534ab [0,2,0,1,0,0|0,0,0]=3 33060 B12R1.62 CCCCCOC[C@@H]1CC(=O)N1 c8ff805b632094be475cc05b1a56ba56 [0,2,0,1,0,0|0,0,1]=4 33061 B12R1.62 CCCCCOC[C@H]1CC(=O)N1 6eaf9592c612d0788e0f5f2701853d3c [0,2,0,1,0,0|0,0,1]=4 33062 B12R1.62 CCCCCOC[C@H]1C[C@@H](C1)C 951995e3402497a979761cd93473d99d [0,2,0,1,0,0|0,0,0]=3 33063 B12R1.62 CCCCCOC[C@H]1C[C@H](C1)F 87495590a9be23167c1dea9fe45bee68 [0,2,0,1,0,0|0,0,0]=3 33064 B12R1.62 CCCCNCCC1CN(C1)C 7b793d0e5a77c89229a5dbcd191af26b [0,2,0,1,0,0|1,0,0]=4 33065 B12R1.62 CCCCNCCN1CC(C1)F 57d250ec98c4688ff0e7191619fb5445 [0,2,0,1,0,0|1,0,0]=4 33066 B12R1.62 CCCCNCCN1CC(C1)O 05fb94a5948a1e9ebc4d234c58a657c7 [0,2,0,1,0,0|1,0,0]=4 33067 B12R1.62 CCCCOCCC1CN(C1)C 76f4f6276acf99370b9822b18c34ecc5 [0,2,0,1,0,0|0,0,0]=3 33068 B12R1.62 CCCCOCCN1CC(C1)F 7c7fc7195ba119d7da8e169bd33467b2 [0,2,0,1,0,0|0,0,0]=3 33069 B12R1.62 CCCCOCCN1CC(C1)O 46a1be271401f4fc161dde323af3666a [0,2,0,1,0,0|0,0,0]=3 33070 B12R1.62 CCCCOCNC1CC(C1)F a01526bd106a4a418c50be35dfc56ffc [0,2,0,1,0,0|0,0,0]=3 33071 B12R1.62 CCCCOCNC1CC(C1)O 290cd8822a6d605b659ae6ff1b4ce875 [0,2,0,1,0,0|0,0,0]=3 33072 B12R1.62 CCCCOCNC1CN(C1)C a8f4cb6de3a4d02e2d083aea04080520 [0,2,0,1,0,0|1,0,0]=4 33073 B12R1.62 CCCCOCN[C@H]1C[C@@H](C1)F 0fd705d62b7b04171af3ae47301d78de [0,2,0,1,0,0|0,0,0]=3 33074 B12R1.62 CCCCOCN[C@H]1C[C@@H](C1)O 1e3add8f675d816164dac70f67ccdff0 [0,2,0,1,0,0|0,0,0]=3 33075 B12R1.62 CCCCOCN[C@H]1C[C@H](C1)F e061478be492be119a29859a7964a347 [0,2,0,1,0,0|0,0,0]=3 33076 B12R1.62 CCCCOCN[C@H]1C[C@H](C1)O 6a7e4e0f41250199b24393ad381d6d96 [0,2,0,1,0,0|0,0,0]=3 33077 B12R1.62 CCCCOCOC1CC(C1)C 8853c092a97ef52303488fabc3048927 [0,2,0,1,0,0|0,0,0]=3 33078 B12R1.62 CCCCOCOC1CC(C1)F 0d537e9af0c4eacb41603522c14e7868 [0,2,0,1,0,0|0,0,0]=3 33079 B12R1.62 CCCCOCOC1CN(C1)C b3c68460a1d9e75e2ce85a96bf08d2ba [0,2,0,1,0,0|1,0,0]=4 33080 B12R1.62 CCCCOCO[C@H]1C[C@@H](C1)F 15611b3d763bf66733c13fade003c6ad [0,2,0,1,0,0|0,0,0]=3 33081 B12R1.62 CCCCOCO[C@H]1C[C@H](C1)F 6f39e106b19d98918320c6d35692bd7e [0,2,0,1,0,0|0,0,0]=3 33082 B12R1.62 CCCOCCNC1CC(C1)F b1bbb92bee4e10a58ddcec83d18d7f64 [0,2,0,1,0,0|1,0,0]=4 33083 B12R1.62 CCCOCCNC1CC(C1)O e0861c81189aea18ee80e07160136817 [0,2,0,1,0,0|1,0,0]=4 33084 B12R1.62 CCCOCCN[C@H]1C[C@@H](C1)F fa4ef0dd9b20fd039afd362e7fbc80cd [0,2,0,1,0,0|1,0,0]=4 33085 B12R1.62 CCCOCCN[C@H]1C[C@@H](C1)O 3c14543f3cd87a4186cb9bb4ecc6baa4 [0,2,0,1,0,0|1,0,0]=4 33086 B12R1.62 CCCOCCN[C@H]1C[C@H](C1)F 4d34104e85cae742c38f567806ecf3c1 [0,2,0,1,0,0|1,0,0]=4 33087 B12R1.62 CCCOCCN[C@H]1C[C@H](C1)O e2a9b20932519a822fdc6b34e43d2624 [0,2,0,1,0,0|1,0,0]=4 33088 B12R1.62 CCCOCCOC1CC(=O)C1 2769812730f225cf0a359ea14a547364 [0,2,0,1,0,0|0,0,1]=4 33089 B12R1.62 CCCOCCOC1CC(C1)C 68014652fdddae818f966e40cffb81ee [0,2,0,1,0,0|0,0,0]=3 33090 B12R1.62 CCCOCCOC1CC(C1)F ef11e03c7fa46604c9e6832937b560a7 [0,2,0,1,0,0|0,0,0]=3 33091 B12R1.62 CCCOCCOC1CN(C1)C 584564442d6aba30c173097429b253e5 [0,2,0,1,0,0|1,0,0]=4 33092 B12R1.62 CCCOCCO[C@H]1C[C@@H](C1)F 9067e07896b1e8b39988fc270860d7a6 [0,2,0,1,0,0|0,0,0]=3 33093 B12R1.62 CCCOCCO[C@H]1C[C@H](C1)F 34ce9bc2175b5fd97093ca0eecba69eb [0,2,0,1,0,0|0,0,0]=3 33094 B12R1.62 CCOCCCNC1CC(C1)F 3d4212276aad8efd417c244e78b06a66 [0,2,0,1,0,0|1,0,0]=4 33095 B12R1.62 CCOCCCNC1CC(C1)O 87ef646678a687b6a3546742faf9ea56 [0,2,0,1,0,0|1,0,0]=4 33096 B12R1.62 CCOCCCN[C@H]1C[C@@H](C1)F 143224378cb5049e74e30ab746a7835f [0,2,0,1,0,0|1,0,0]=4 33097 B12R1.62 CCOCCCN[C@H]1C[C@@H](C1)O 7155dad1b468f9cd24c7fd6eae1cef25 [0,2,0,1,0,0|1,0,0]=4 33098 B12R1.62 CCOCCCN[C@H]1C[C@H](C1)F 7f2d6601f519953716b4c76bb7125232 [0,2,0,1,0,0|1,0,0]=4 33099 B12R1.62 CCOCCCN[C@H]1C[C@H](C1)O 4b2f000a479146ceded352ca1fc360e1 [0,2,0,1,0,0|1,0,0]=4 33100 B12R1.62 CCOCCCOC1CC(=O)C1 a59b504eb0ada6c68c13f59094f12cdf [0,2,0,1,0,0|0,0,1]=4 33101 B12R1.62 CCOCCCOC1CC(C1)C 0afd17c6297a61f7ce2429b0592943a8 [0,2,0,1,0,0|0,0,0]=3 33102 B12R1.62 CCOCCCOC1CC(C1)F ac02edf7ee32b428eecbc1099573ce32 [0,2,0,1,0,0|0,0,0]=3 33103 B12R1.62 CCOCCCOC1CN(C1)C 1741dcf41d3b71d59cc723612229dbfc [0,2,0,1,0,0|1,0,0]=4 33104 B12R1.62 CCOCCCO[C@H]1C[C@@H](C1)F 7fabe2ddb1eeaa816b5f0c7a454c4ebf [0,2,0,1,0,0|0,0,0]=3 33105 B12R1.62 CCOCCCO[C@H]1C[C@H](C1)F f5d35e116ba6f7c4251d071fb21d3ea1 [0,2,0,1,0,0|0,0,0]=3 33106 B12R1.62 CCOCCNCC1CC(C1)C 8d32da713c755d5a7b552fc6ab4d4a58 [0,2,0,1,0,0|1,0,0]=4 33107 B12R1.62 CCOCCNCC1CC(C1)O 8b44588d1e9d878edef61e4be6c25c58 [0,2,0,1,0,0|1,0,0]=4 33108 B12R1.62 CCOCCNC[C@H]1C[C@@H](C1)O 016b3b3ccb0a662b0542a1d54dbd6a4c [0,2,0,1,0,0|1,0,0]=4 33109 B12R1.62 CCOCCNC[C@H]1C[C@H](C1)F facec3f21a77960335e2b831a8da3b81 [0,2,0,1,0,0|1,0,0]=4 33110 B12R1.62 CCOCCNC[C@H]1C[C@H](C1)O 552398ba715b849e9e7a68ab3cfb3149 [0,2,0,1,0,0|1,0,0]=4 33111 B12R1.62 CCOCCOCC1CC(=O)C1 daed74ae247adefbbc95802593eff18f [0,2,0,1,0,0|0,0,1]=4 33112 B12R1.62 CCOCCOCC1CC(C1)C 4fde8d35d0e7942e8e88dfbe9c014de3 [0,2,0,1,0,0|0,0,0]=3 33113 B12R1.62 CCOCCOCC1CC(C1)F e36f1b1d748dc864b6294eb9af418612 [0,2,0,1,0,0|0,0,0]=3 33114 B12R1.62 CCOCCOCC1CN(C1)C ad2cc653b684c203cadab6ce49b2cab1 [0,2,0,1,0,0|1,0,0]=4 33115 B12R1.62 CCOCCOC[C@H]1C[C@@H](C1)C 68293d015c33f6c53da3a6cb57a806e4 [0,2,0,1,0,0|0,0,0]=3 33116 B12R1.62 CCOCCOC[C@H]1C[C@H](C1)F 3566e5d839eb9b91844c392fc9533742 [0,2,0,1,0,0|0,0,0]=3 33117 B12R1.62 CCOCOCCC1CN(C1)C 0fe5ee9910817cf16828839a30c54405 [0,2,0,1,0,0|1,0,0]=4 33118 B12R1.62 CCOCOCCN1CC(C1)F 077494df03d36447b7d47422d8bc65d1 [0,2,0,1,0,0|1,0,0]=4 33119 B12R1.62 CCSCCCNC1CC(C1)F 887fb850529a35807b9de76476b705a4 [0,2,0,1,0,0|1,0,0]=4 33120 B12R1.62 CCSCCCNC1CC(C1)O f05d8d35c89da4851ecb4f8838043ea9 [0,2,0,1,0,0|1,0,0]=4 33121 B12R1.62 CCSCCCN[C@H]1C[C@@H](C1)F c24ef2cbf9bf65b672d95de4fad2bf0e [0,2,0,1,0,0|1,0,0]=4 33122 B12R1.62 CCSCCCN[C@H]1C[C@@H](C1)O 00a073b4f4a8d4e9b281c344d43cd14c [0,2,0,1,0,0|1,0,0]=4 33123 B12R1.62 CCSCCCN[C@H]1C[C@H](C1)F 4625993f1aef75454a98e70faef15b44 [0,2,0,1,0,0|1,0,0]=4 33124 B12R1.62 CCSCCCN[C@H]1C[C@H](C1)O bfdf533196d81784ea139c135f3b1ac6 [0,2,0,1,0,0|1,0,0]=4 33125 B12R1.62 CCSCCCOC1CC(=O)C1 f5523506fba3f2a6c867e7a78b388d1f [0,2,0,1,0,0|0,0,1]=4 33126 B12R1.62 CCSCCCOC1CC(C1)C a539028e4c250e0b12ae292edd424456 [0,2,0,1,0,0|0,0,0]=3 33127 B12R1.62 CCSCCCOC1CC(C1)F 2157c0d5482bdfec93bc50ef77508bb8 [0,2,0,1,0,0|0,0,0]=3 33128 B12R1.62 CCSCCCOC1CN(C1)C 1959b872a3e7232fdfc947f8b483a09c [0,2,0,1,0,0|1,0,0]=4 33129 B12R1.62 CCSCCCO[C@H]1C[C@@H](C1)F 1ad5ee8b4ef6d38dfaa88a3d807dcbff [0,2,0,1,0,0|0,0,0]=3 33130 B12R1.62 CCSCCCO[C@H]1C[C@H](C1)F 8317d0842a0f9f24e27d52a13771bb99 [0,2,0,1,0,0|0,0,0]=3 33131 B12R1.62 CCSCCNCC1CC(C1)C 44fd49aa5c629f21b1745d83c0dc1efd [0,2,0,1,0,0|1,0,0]=4 33132 B12R1.62 CCSCCNCC1CC(C1)O cd98d2df30fb7dd7db746ad761b029db [0,2,0,1,0,0|1,0,0]=4 33133 B12R1.62 CCSCCNC[C@H]1C[C@@H](C1)O 89e2dc7a5849c1bcd54b71623a7473ef [0,2,0,1,0,0|1,0,0]=4 33134 B12R1.62 CCSCCNC[C@H]1C[C@H](C1)F aac679efb7fa8e19d0f021d6b8a9e333 [0,2,0,1,0,0|1,0,0]=4 33135 B12R1.62 CCSCCNC[C@H]1C[C@H](C1)O 92cff8941a0ef834583e18ecaa51ba48 [0,2,0,1,0,0|1,0,0]=4 33136 B12R1.62 CCSCCOCC1CC(=O)C1 baeb043bdf7589094c030d741db4bbdf [0,2,0,1,0,0|0,0,1]=4 33137 B12R1.62 CCSCCOCC1CC(C1)C a0fc16531d23779ec6a81ff078c6d7c1 [0,2,0,1,0,0|0,0,0]=3 33138 B12R1.62 CCSCCOCC1CC(C1)F ae6d68c6287c97f26b444ef962f18e2e [0,2,0,1,0,0|0,0,0]=3 33139 B12R1.62 CCSCCOCC1CN(C1)C cd92314ee1f273e2dd1579393f3ffc4d [0,2,0,1,0,0|1,0,0]=4 33140 B12R1.62 CCSCCOC[C@H]1C[C@@H](C1)C 16c020ce7bbe95bdac006b4c1bfe8518 [0,2,0,1,0,0|0,0,0]=3 33141 B12R1.62 CCSCCOC[C@H]1C[C@H](C1)F e7cb10971caabbe7baf4f0b55636524f [0,2,0,1,0,0|0,0,0]=3 33142 B12R1.62 CN1CC(C1)CCOCCCF a2aeb88fe7758055ceee6a51f1da0662 [0,2,0,1,0,0|1,0,0]=4 33143 B12R1.62 CN1CC(C1)CCOCCCS 0765d601caa4796b43698a247dd743c2 [0,2,0,1,0,0|1,0,0]=4 33144 B12R1.62 CN1CC(C1)COCCCCF ac986b62e74e91f874c6c8cb299c9463 [0,2,0,1,0,0|1,0,0]=4 33145 B12R1.62 CN1CC(C1)OCCCCCF 85136915e0fe041af46a2cb6f4d9ff87 [0,2,0,1,0,0|1,0,0]=4 33146 B12R1.62 COCCCCNC1CC(C1)F 279c330d3a8156b2523e946bfc22eb4e [0,2,0,1,0,0|1,0,0]=4 33147 B12R1.62 COCCCCNC1CC(C1)O b725a797dfd01e8d3ff2bb852f3fac73 [0,2,0,1,0,0|1,0,0]=4 33148 B12R1.62 COCCCCN[C@H]1C[C@@H](C1)F 1a964a65e394d4b4985421770f0cf1a3 [0,2,0,1,0,0|1,0,0]=4 33149 B12R1.62 COCCCCN[C@H]1C[C@@H](C1)O 9543ccbf62d33f2a6fee352c755f1646 [0,2,0,1,0,0|1,0,0]=4 33150 B12R1.62 COCCCCN[C@H]1C[C@H](C1)F 687fb3b7c6df125ddc857a15def87780 [0,2,0,1,0,0|1,0,0]=4 33151 B12R1.62 COCCCCN[C@H]1C[C@H](C1)O 58b516333b267648c6f369472daf45ea [0,2,0,1,0,0|1,0,0]=4 33152 B12R1.62 COCCCCOC1CC(=O)C1 35c6d9d9e82286dcbf8189fdae42cd91 [0,2,0,1,0,0|0,0,1]=4 33153 B12R1.62 COCCCCOC1CC(C1)C e6d30c45d7e04c7fa24e8ee72dae3a75 [0,2,0,1,0,0|0,0,0]=3 33154 B12R1.62 COCCCCOC1CC(C1)F 57c40fcc44eb7c932a2b6605791096b4 [0,2,0,1,0,0|0,0,0]=3 33155 B12R1.62 COCCCCOC1CN(C1)C 03a33dee47cb1487e2cda95f6e60228f [0,2,0,1,0,0|1,0,0]=4 33156 B12R1.62 COCCCCO[C@H]1C[C@@H](C1)F 7325a9ae84c67347ec8d2912d7a79f2b [0,2,0,1,0,0|0,0,0]=3 33157 B12R1.62 COCCCCO[C@H]1C[C@H](C1)F 265acb89af6165f864de2cf8ae3a3c66 [0,2,0,1,0,0|0,0,0]=3 33158 B12R1.62 COCCCNCC1CC(C1)C 92565ab61d4a93a29e75b63482f82878 [0,2,0,1,0,0|1,0,0]=4 33159 B12R1.62 COCCCNCC1CC(C1)O 3363a8b797534288156675015f0f81c0 [0,2,0,1,0,0|1,0,0]=4 33160 B12R1.62 COCCCNC[C@H]1C[C@@H](C1)O 151fa4fc0e509a22ed6b69005f4ff114 [0,2,0,1,0,0|1,0,0]=4 33161 B12R1.62 COCCCNC[C@H]1C[C@H](C1)F 4ed3498e0180ae70d054c2aa7222613d [0,2,0,1,0,0|1,0,0]=4 33162 B12R1.62 COCCCNC[C@H]1C[C@H](C1)O 2c995f016424632b1ec2517d1ef868a0 [0,2,0,1,0,0|1,0,0]=4 33163 B12R1.62 COCCCOCC1CC(=O)C1 e0fe82f9753fb6868311c1eb3db1e548 [0,2,0,1,0,0|0,0,1]=4 33164 B12R1.62 COCCCOCC1CC(C1)C 7afc70a0c1afa310980a2f92a4798cf8 [0,2,0,1,0,0|0,0,0]=3 33165 B12R1.62 COCCCOCC1CC(C1)F ceda1dac6e4349aded10cc3160ccda29 [0,2,0,1,0,0|0,0,0]=3 33166 B12R1.62 COCCCOCC1CN(C1)C 1906e5b4b09cbf00d8ab783ef21a4c2d [0,2,0,1,0,0|1,0,0]=4 33167 B12R1.62 COCCCOC[C@H]1C[C@@H](C1)C 0d0dd979f19bbbdd806c4c16d1e27a34 [0,2,0,1,0,0|0,0,0]=3 33168 B12R1.62 COCCCOC[C@H]1C[C@H](C1)F 4055ee1fd62e2124bcf6f784f8e5e13a [0,2,0,1,0,0|0,0,0]=3 33169 B12R1.62 COCCOCCC1CN(C1)C 18367d2dc4125d602af88db32db08d12 [0,2,0,1,0,0|1,0,0]=4 33170 B12R1.62 COCCOCCN1CC(C1)F c4da8449802b82e3ff307bebb68c373e [0,2,0,1,0,0|1,0,0]=4 33171 B12R1.62 COCCOCCN1CC(C1)O 060b976e66d2aa1bd6f2f2e92f7840ec [0,2,0,1,0,0|1,0,0]=4 33172 B12R1.62 COCCOCNC1CC(C1)F 7de511d4aacd592a7be31e0e38839740 [0,2,0,1,0,0|1,0,0]=4 33173 B12R1.62 COCCOCNC1CC(C1)O 1167c83943feb6d56ca70ab102dd7579 [0,2,0,1,0,0|1,0,0]=4 33174 B12R1.62 COCCOCN[C@H]1C[C@@H](C1)F 1e29fa3bf760661ccb4b08a5e5450f31 [0,2,0,1,0,0|1,0,0]=4 33175 B12R1.62 COCCOCN[C@H]1C[C@@H](C1)O 6c3c93d6ede72b48958ef2409cd5f613 [0,2,0,1,0,0|1,0,0]=4 33176 B12R1.62 COCCOCN[C@H]1C[C@H](C1)F db40fb2ad459ff1593176681017b1bd8 [0,2,0,1,0,0|1,0,0]=4 33177 B12R1.62 COCCOCN[C@H]1C[C@H](C1)O 08c26748dc40a1970988f905d3845ce5 [0,2,0,1,0,0|1,0,0]=4 33178 B12R1.62 COCCOCOC1CC(C1)C 0425b28938d7bc4cf368cbe7352a21b8 [0,2,0,1,0,0|1,0,0]=4 33179 B12R1.62 COCCOCOC1CC(C1)F 42e0103cce96b54c932cbce4d1af1e02 [0,2,0,1,0,0|1,0,0]=4 33180 B12R1.62 COCCOCO[C@H]1C[C@@H](C1)F 07c7259d934e84d1744caee0d62d356c [0,2,0,1,0,0|1,0,0]=4 33181 B12R1.62 COCCOCO[C@H]1C[C@H](C1)F 89bd2e0ee55539a262fbfd4dd73ba4c2 [0,2,0,1,0,0|1,0,0]=4 33182 B12R1.62 COCOCCOC1CC(C1)C 562dbf51a138a5a4e911bc08e68cbdef [0,2,0,1,0,0|1,0,0]=4 33183 B12R1.62 COCOCCOC1CC(C1)F 323cdddacf4a78f4ef9234c48a57dda9 [0,2,0,1,0,0|1,0,0]=4 33184 B12R1.62 COCOCCO[C@H]1C[C@@H](C1)F db6077e94742aa070ecb4f5d99a7bba0 [0,2,0,1,0,0|1,0,0]=4 33185 B12R1.62 COCOCCO[C@H]1C[C@H](C1)F 90debf1d1b6bc34b9615e81cb46481f7 [0,2,0,1,0,0|1,0,0]=4 33186 B12R1.62 CSCCCCNC1CC(C1)O 6f94a04a6a2426d66976ad0748a1b360 [0,2,0,1,0,0|1,0,0]=4 33187 B12R1.62 CSCCCNCC1CC(C1)C ade9b9d02775ba401a2f2557b0aff781 [0,2,0,1,0,0|1,0,0]=4 33188 B12R1.62 CSCCCNCC1CC(C1)O 3ae9bb6d09c028db582f9b1a70216a3d [0,2,0,1,0,0|1,0,0]=4 33189 B12R1.62 CSCCCNC[C@H]1C[C@@H](C1)O f4c174b2d244e51d1f7435d330609031 [0,2,0,1,0,0|1,0,0]=4 33190 B12R1.62 CSCCCNC[C@H]1C[C@H](C1)F f6ceeab898297a35b88be9752d4ce379 [0,2,0,1,0,0|1,0,0]=4 33191 B12R1.62 CSCCCNC[C@H]1C[C@H](C1)O d547c30cab719a8a35bf16ddf61dfde1 [0,2,0,1,0,0|1,0,0]=4 33192 B12R1.62 CSCCCOCC1CC(=O)C1 65b5f76c86a95700e53ca7af609159a6 [0,2,0,1,0,0|0,0,1]=4 33193 B12R1.62 CSCCCOCC1CC(C1)C ee2f228ee2082971f27e3a76b5b5cf22 [0,2,0,1,0,0|0,0,0]=3 33194 B12R1.62 CSCCCOCC1CC(C1)F 23e8717e1a9d4b85e10cbafe71a4821d [0,2,0,1,0,0|0,0,0]=3 33195 B12R1.62 CSCCCOCC1CN(C1)C 99f322202e48e26b68a2292d03c8375c [0,2,0,1,0,0|1,0,0]=4 33196 B12R1.62 CSCCCOC[C@H]1C[C@@H](C1)C bc37f86d7002b412dff5450fd8f6712c [0,2,0,1,0,0|0,0,0]=3 33197 B12R1.62 CSCCCOC[C@H]1C[C@H](C1)F 40a5d2535ebf7e13d5da813d7f50a776 [0,2,0,1,0,0|0,0,0]=3 33198 B12R1.62 CSCCOCCC1CN(C1)C 0881969f83a1c322103a043860f5c755 [0,2,0,1,0,0|1,0,0]=4 33199 B12R1.62 CSCCOCCN1CC(C1)F 9584afbb6ffe3f10ce775f3c75e096b6 [0,2,0,1,0,0|1,0,0]=4 33200 B12R1.62 C[C@H]1C[C@@H](C1)COCCCC#N f3ed70871b3d9d5d728325fe888e3821 [0,2,0,1,0,0|0,0,1]=4 33201 B12R1.62 C[C@H]1C[C@@H](C1)COCCCC=O ebd734faf14212643f59d3faa8a576bc [0,2,0,1,0,0|0,0,1]=4 33202 B12R1.62 C[C@H]1C[C@@H](C1)COCCCCF db1696333564b1dffc4626ded17dc688 [0,2,0,1,0,0|0,0,0]=3 33203 B12R1.62 FC1CN(C1)CCOCCCS 87881554834cddea4c2f4a13d610a7b9 [0,2,0,1,0,0|1,0,0]=4 33204 B12R1.62 FCCCCCNC1CC(C1)F f746ee978a0883d17376e06e98e502bd [0,2,0,1,0,0|1,0,0]=4 33205 B12R1.62 FCCCCCN[C@H]1C[C@@H](C1)F 44a6198d827049b92b9ebe32d443de56 [0,2,0,1,0,0|1,0,0]=4 33206 B12R1.62 FCCCCCN[C@H]1C[C@H](C1)F f89b97218f062344d28b1087acf8507d [0,2,0,1,0,0|1,0,0]=4 33207 B12R1.62 FCCCCCOC1CC(C1)F d83ca1cae486e49a71e6550273d5f669 [0,2,0,1,0,0|0,0,0]=3 33208 B12R1.62 FCCCCCO[C@H]1C[C@@H](C1)F ead9c8e8041636fb16cc10bb63c5cd43 [0,2,0,1,0,0|0,0,0]=3 33209 B12R1.62 FCCCCCO[C@H]1C[C@H](C1)F 2ac404d4ee2003b6c0edfb8dbefbf59d [0,2,0,1,0,0|0,0,0]=3 33210 B12R1.62 FCCCCOCC1CC(C1)F f001d365ae867db402152aace35f6495 [0,2,0,1,0,0|0,0,0]=3 33211 B12R1.62 FCCCCOC[C@H]1C[C@H](C1)F 269b67d68899abf9b52a2e00aed00a21 [0,2,0,1,0,0|0,0,0]=3 33212 B12R1.62 FCCCOCCN1CC(C1)F 0e4237b1d78a684f77d240b5774bc075 [0,2,0,1,0,0|1,0,0]=4 33213 B12R1.62 F[C@H]1C[C@H](C1)CNCCCCCl 7435bacbc51a04feda0062938886d2af [0,2,0,1,0,0|1,0,0]=4 33214 B12R1.62 F[C@H]1C[C@H](C1)CNCCCCS 14365c01c6fdd86149fb1326e3628670 [0,2,0,1,0,0|1,0,0]=4 33215 B12R1.62 F[C@H]1C[C@H](C1)COCCCCS 376ccb38d255128ffaca9bff4e49bebf [0,2,0,1,0,0|0,0,0]=3 33216 B12R1.62 N#CCCCCOC1CC(C1)F e67afeeb7584fc186781a9cd02e6ada2 [0,2,0,1,0,0|0,0,1]=4 33217 B12R1.62 N#CCCCCO[C@H]1C[C@@H](C1)F 9770d26c3c38bceabb5d778a3eb8c7da [0,2,0,1,0,0|0,0,1]=4 33218 B12R1.62 N#CCCCCO[C@H]1C[C@H](C1)F 6a989bd7d77cc7c1eba36a7374f52c5b [0,2,0,1,0,0|0,0,1]=4 33219 B12R1.62 N#CCCCOCC1CC(C1)F 03dadf3f2ddc04b6d2d1627a0257da9d [0,2,0,1,0,0|0,0,1]=4 33220 B12R1.62 N#CCCCOC[C@H]1C[C@H](C1)F e23865f036b125cdbde64ad261c83fed [0,2,0,1,0,0|0,0,1]=4 33221 B12R1.62 O=C1CC(C1)COCCCCF c0f3f42f3d1066816f9db72cf1362587 [0,2,0,1,0,0|0,0,1]=4 33222 B12R1.62 O=C1CC(C1)COCCCCS f69877fddfab4a93b71cf4fb6bef293e [0,2,0,1,0,0|0,0,1]=4 33223 B12R1.62 O=C1CC(C1)OCCCCCF 9551987dacc243cfc7659c4154f15bb4 [0,2,0,1,0,0|0,0,1]=4 33224 B12R1.62 O=CCCCCOC1CC(C1)F 242fb8e41278e14e2d9de8884550d30c [0,2,0,1,0,0|0,0,1]=4 33225 B12R1.62 O=CCCCCO[C@H]1C[C@@H](C1)F c8b0f2ff7b4be08e2df7f16c295f6cbe [0,2,0,1,0,0|0,0,1]=4 33226 B12R1.62 O=CCCCCO[C@H]1C[C@H](C1)F 370d6299bb04fcbf4f358eb7a9cd9675 [0,2,0,1,0,0|0,0,1]=4 33227 B12R1.62 O=CCCCOCC1CC(C1)F fc277ff57e2d274d9a2744cfd785f26f [0,2,0,1,0,0|0,0,1]=4 33228 B12R1.62 O=CCCCOC[C@H]1C[C@H](C1)F 752beab9e70e60fea9d1b63800069f5c [0,2,0,1,0,0|0,0,1]=4 33229 B12R1.62 OC1CC(C1)CNCCCCCl fa228fb55ea00f1ffe1cfe8171f751f1 [0,2,0,1,0,0|1,0,0]=4 33230 B12R1.62 OC1CC(C1)CNCCCCF 808560467a594fcbace595f6ff05e89e [0,2,0,1,0,0|1,0,0]=4 33231 B12R1.62 OC1CC(C1)CNCCCCS 13649c3da535095f1258277af971967b [0,2,0,1,0,0|1,0,0]=4 33232 B12R1.62 OC1CC(C1)NCCCCCCl cb644ae09ffb6bc975a39bdb6c3cae7a [0,2,0,1,0,0|1,0,0]=4 33233 B12R1.62 OC1CC(C1)NCCCCCF ef314c868f3fb8b01c8eefef785b1d15 [0,2,0,1,0,0|1,0,0]=4 33234 B12R1.62 OCCCCCNC1CC(C1)F 73df7c243c165514e6e3753c2c2d585c [0,2,0,1,0,0|1,0,0]=4 33235 B12R1.62 OCCCCCNC1CC(C1)O 810f14c46e878f74b48fd6efbe74343a [0,2,0,1,0,0|1,0,0]=4 33236 B12R1.62 OCCCCCN[C@H]1C[C@@H](C1)F 06b3278b701aa8d316112edbbcb5d02a [0,2,0,1,0,0|1,0,0]=4 33237 B12R1.62 OCCCCCN[C@H]1C[C@@H](C1)O 2f01467d622dc74f42370301589d1b47 [0,2,0,1,0,0|1,0,0]=4 33238 B12R1.62 OCCCCCN[C@H]1C[C@H](C1)F 43417789c5dd18e0d9cbb4e36d36ad16 [0,2,0,1,0,0|1,0,0]=4 33239 B12R1.62 OCCCCCN[C@H]1C[C@H](C1)O 453cb75ab742955f2867f4f6ae9e8c7a [0,2,0,1,0,0|1,0,0]=4 33240 B12R1.62 OCCCCNCC1CC(C1)O cd5306393a886b64eaea243a0e4d4fdb [0,2,0,1,0,0|1,0,0]=4 33241 B12R1.62 OCCCCNC[C@H]1C[C@@H](C1)O 56085f2c9ea76770af1f3ae50eb7af71 [0,2,0,1,0,0|1,0,0]=4 33242 B12R1.62 OCCCCNC[C@H]1C[C@H](C1)F 55e476dacef7be4d5a7afc639edbb0fd [0,2,0,1,0,0|1,0,0]=4 33243 B12R1.62 OCCCCNC[C@H]1C[C@H](C1)O 7b4fecabea2e58a6bc66a51b8a951975 [0,2,0,1,0,0|1,0,0]=4 33244 B12R1.62 O[C@H]1C[C@@H](C1)CNCCCCF 6edd0313ff88a6263ceaf7fcd503e2e2 [0,2,0,1,0,0|1,0,0]=4 33245 B12R1.62 O[C@H]1C[C@@H](C1)NCCCCCF 2f2627feef7961983d3595e06f0d98d2 [0,2,0,1,0,0|1,0,0]=4 33246 B12R1.62 O[C@H]1C[C@H](C1)CNCCCCF 448e445bc14855cfd56437cd64a0738b [0,2,0,1,0,0|1,0,0]=4 33247 B12R1.62 O[C@H]1C[C@H](C1)NCCCCCF 43a604744e6eb1d5b68e258e3051c2e1 [0,2,0,1,0,0|1,0,0]=4 33248 B12R1.69 CCCCN1CCC(CC1C)C 1625e02a48276024ff1aac6b6b533a58 [0,2,0,1,0,0|1,0,0]=4 33249 B12R1.69 CCCCN1CCC(CC1C)O aaf84f4315ad58909790c6d64f87ee75 [0,2,0,1,0,0|1,0,0]=4 33250 B12R1.69 CCCCN1CCN(CC1C)C ec321771d60924b55e77a6a669104e83 [0,2,0,1,0,0|1,0,0]=4 33251 B12R1.69 CCCCN1CCN(C[C@@H]1C)C 407c00cc652388bc2bb21c03e16ae8fe [0,2,0,1,0,0|1,0,0]=4 33252 B12R1.69 CCCCN1CCN(C[C@H]1C)C 24c97b644df5c3f37def816df25d89dd [0,2,0,1,0,0|1,0,0]=4 33253 B12R1.69 CCCCN1CC[C@@H](C[C@@H]1C)C 1210b48b94962e23f1e2479aad95d93e [0,2,0,1,0,0|1,0,0]=4 33254 B12R1.69 CCCCN1CC[C@@H](C[C@H]1C)O 1227db402bd7dc9a0646bfe988e107b9 [0,2,0,1,0,0|1,0,0]=4 33255 B12R1.69 CCCCN1CC[C@H](C[C@H]1C)C e22dc2089a30b5b2c21aacee20630873 [0,2,0,1,0,0|1,0,0]=4 33256 B12R1.69 CCCCN1CC[C@H](C[C@H]1C)O ee3b90b18cbcc56561f366dcf129060a [0,2,0,1,0,0|1,0,0]=4 33257 B12R1.69 CCCOC1CCC(CC1C)C 572f9105cc617d9f516aec528d7dd36c [0,2,0,1,0,0|1,0,0]=4 33258 B12R1.173 CCCN1CCCCCCCC1 123ca0e6590c73ac248efa4d87cbbd3f [0,2,0,1,0,0|1,0,0]=4 33259 B12R1.173 COCN1CCCCCCCC1 5388cf3af39b00a30f911c6990bdf3a8 [0,2,0,1,0,0|1,0,0]=4 33260 B12R1.173 CSCN1CCCCCCCC1 ef269d2b00dc54a618c97b5d850df42b [0,2,0,1,0,0|1,0,0]=4 33261 B12R1.173 FCCN1CCCCCCCC1 45f19f59bf7ceb4059c89a58f5946ffa [0,2,0,1,0,0|1,0,0]=4 33262 B12R1.173 OCCN1CCCCCCCC1 68cdcc2cad8dad04040fec3894ca9693 [0,2,0,1,0,0|1,0,0]=4 33263 B12R1.173 SCCN1CCCCCCCC1 2c33e9fb98e9922c2df71982259b0d2b [0,2,0,1,0,0|1,0,0]=4 33264 B12R1.278 CCCN1CCOC(C1)CCO 493f77438d46b598bf4678eaac198acf [0,2,0,1,0,0|1,0,0]=4 33265 B12R1.278 CCCN1CCOC(C1)OCC de64f3b91d0b971c3bd8e3232581bbed [0,2,0,1,0,0|1,0,0]=4 33266 B12R1.278 CCCN1CCO[C@@H](C1)COC d18a90b53c0d7cb01e0a0ef48bc8608a [0,2,0,1,0,0|1,0,0]=4 33267 B12R1.278 CCCN1CCO[C@H](C1)COC fb2f57bceed607b11ed511e8b429bc69 [0,2,0,1,0,0|1,0,0]=4 33268 B12R1.282 CCCCCN[C@H]1C[C@@H]1COC 26d6be95bf8e6409d73044be3d6e86b2 [0,2,0,1,0,0|1,0,0]=4 33269 B12R1.282 CCCCCN[C@H]1C[C@H]1COC e7c2c7c835c14df017962903e270708f [0,2,0,1,0,0|1,0,0]=4 33270 B12R1.282 CCOCCN[C@H]1C[C@@H]1COC bb674560e119e6f70c899d15d131e6cc [0,2,0,1,0,0|1,0,0]=4 33271 B12R1.282 CCOCCN[C@H]1C[C@H]1COC 257902b168ecfbe5ff941bb9d0418967 [0,2,0,1,0,0|1,0,0]=4 33272 B12R1.282 CCSCCN[C@H]1C[C@@H]1COC 2f7c3105561d6b9bee087394de82b0cc [0,2,0,1,0,0|1,0,0]=4 33273 B12R1.282 CCSCCN[C@H]1C[C@H]1COC 6028734381016ee15c0fcda156b2a8b3 [0,2,0,1,0,0|1,0,0]=4 33274 B12R1.282 COCCCN[C@H]1C[C@@H]1COC 3638f2879876a9fba663b9f56ac52648 [0,2,0,1,0,0|1,0,0]=4 33275 B12R1.282 COCCCN[C@H]1C[C@H]1COC b175f224d7b5a8882dc1ef7e720badd9 [0,2,0,1,0,0|1,0,0]=4 33276 B12R1.282 COC[C@@H]1C[C@@H]1NCCCCF 0b73d1dda0abea744e52c0e01ee1a8fa [0,2,0,1,0,0|1,0,0]=4 33277 B12R1.282 COC[C@@H]1C[C@@H]1NCCCCO 3a389338904eb6f705b47a486e092255 [0,2,0,1,0,0|1,0,0]=4 33278 B12R1.282 COC[C@@H]1C[C@@H]1NCCCSC 714a6c1b8bab016ce789453042f8ebb5 [0,2,0,1,0,0|1,0,0]=4 33279 B12R1.282 COC[C@H]1C[C@@H]1NCCCCF d039384e370029adf53852ea2e137a2e [0,2,0,1,0,0|1,0,0]=4 33280 B12R1.282 COC[C@H]1C[C@@H]1NCCCCO f93c558ee42b5091af3c4f53cb07cafd [0,2,0,1,0,0|1,0,0]=4 33281 B12R1.282 COC[C@H]1C[C@@H]1NCCCSC d81db9da9353921f361b5b2e980880a7 [0,2,0,1,0,0|1,0,0]=4 33282 B12R1.308 CCCC(C)N1CCCCC1C 8af129b49ca01059ac962dea128185bf [0,2,0,1,0,0|1,0,0]=4 33283 B12R1.308 CCCC(C)N1CCCC[C@@H]1C 98fb1c134547ecb776a9663edaa3f976 [0,2,0,1,0,0|1,0,0]=4 33284 B12R1.308 CCCC(C)N1CCCC[C@H]1C 72effc956c9d7063ce84c871bcedf6c2 [0,2,0,1,0,0|1,0,0]=4 33285 B12R1.308 CCCC(C)N1CCOCC1C 8f1e3c5544fefe6f07fdbdf320f0f435 [0,2,0,1,0,0|1,0,0]=4 33286 B12R1.308 CCCC(C)N1CCOC[C@@H]1C 5a6ce117c036d33b0d4c368a5345fb91 [0,2,0,1,0,0|1,0,0]=4 33287 B12R1.308 CCCC(C)N1CCOC[C@H]1C 6a4bd42444869e260d541fd1f6bf3e48 [0,2,0,1,0,0|1,0,0]=4 33288 B12R1.308 CCCN(C)[C@H]1CCCC[C@H]1C c5612c1345b5359be3369a606808a2d7 [0,2,0,1,0,0|1,0,0]=4 33289 B12R1.309 C#C[C@H]1C[C@H]1COC(C)CCC 6d0ed197879b67ca54b517efd7f80534 [0,2,0,1,0,0|0,0,1]=4 33290 B12R1.309 CCCC(C)CN[C@@H]1C[C@@H]1OC 57fab99d93c8049d0b1fcec0d7f220ae [0,2,0,1,0,0|1,0,0]=4 33291 B12R1.309 CCCC(C)CN[C@@H]1C[C@H]1CO 494146b92c7bd6d70f21a200779cb09d [0,2,0,1,0,0|1,0,0]=4 33292 B12R1.309 CCCC(C)CN[C@H]1C[C@@H]1CO 73e8f6c65ae6a71dc747bd711ccbf2a4 [0,2,0,1,0,0|1,0,0]=4 33293 B12R1.309 CCCC(C)CN[C@H]1C[C@H]1CO aaa79d67cca276dc1b0acf4d4cd26404 [0,2,0,1,0,0|1,0,0]=4 33294 B12R1.309 CCCC(C)COC1CC1C=O 1ff77bca68109ed1d585b111dd69bc44 [0,2,0,1,0,0|0,0,1]=4 33295 B12R1.309 CCCC(C)NCC1CC1CO ca08d56337fbc7860c4d502f7813c6d6 [0,2,0,1,0,0|1,0,0]=4 33296 B12R1.309 CCCC(C)OCC1CC1C#N af5f5903e119f50ce865c31c638b2892 [0,2,0,1,0,0|0,0,1]=4 33297 B12R1.310 C=CCC(C)COCCC1CC1 2e2d76cc13a657447c14b8b51b491c39 [0,2,0,1,0,0|0,0,1]=4 33298 B12R1.310 CC(CCO)CNCCC1CC1 a70a5ae4eee87b8803534bf028c56131 [0,2,0,1,0,0|1,0,0]=4 33299 B12R1.310 CCCC(=O)CNCCC1CC1 b8dac4d3972853401f1f9626ab0f926b [0,2,0,1,0,0|1,0,0]=4 33300 B12R1.310 CCCC(=O)COCCC1CC1 b402d66c3a5794f8e89c82fe4622ea35 [0,2,0,1,0,0|0,0,0]=3 33301 B12R1.310 CCCC(=O)COCCN1CC1 8c6bfffa396c0206ba26b78a44405ca9 [0,2,0,1,0,0|0,0,1]=4 33302 B12R1.310 CCCC(=O)OCCOC1CC1 c6355cd2c488ee5c8251c82f789bd58c [0,2,0,1,0,0|0,0,1]=4 33303 B12R1.310 CCCC(=O)OCNCC1CC1 5054915f96cb1a18ad842b1948acbcc8 [0,2,0,1,0,0|0,0,1]=4 33304 B12R1.310 CCCC(=O)OCOCC1CC1 827ee871609f5dfa9d7df47c0a9a3eef [0,2,0,1,0,0|0,0,1]=4 33305 B12R1.310 CCCC(=S)OCCOC1CC1 ed2b16a5dde6b35df010eab9e0bf1589 [0,2,0,1,0,0|0,0,1]=4 33306 B12R1.310 CCCC(C)CCCOC1CC1 f7511337cf64dd5251a276d910caa835 [0,2,0,1,0,0|1,0,0]=4 33307 B12R1.310 CCCC(C)CCOCC1CC1 6e1bb8ffc25682a140db241014a92876 [0,2,0,1,0,0|0,0,0]=3 33308 B12R1.310 CCCC(C)CNCCC1CC1 cbc3fdd4f1a22e388701e4b5b3db2990 [0,2,0,1,0,0|1,0,0]=4 33309 B12R1.310 CCCC(C)CNCCN1CC1 57ec28e44b9fb25fa067512eb6b1f21a [0,2,0,1,0,0|1,0,0]=4 33310 B12R1.310 CCCC(C)COCCC1CC1 37278c7da780aad024b4c064a4c84757 [0,2,0,1,0,0|0,0,0]=3 33311 B12R1.310 CCCC(C)COCCN1CC1 eeff07ee8db80df4bbe6971ddee03fc0 [0,2,0,1,0,0|0,0,0]=3 33312 B12R1.310 CCCC(C)NCCOC1CC1 1508b1a24fa85c040c1e34b9061d34e1 [0,2,0,1,0,0|1,0,0]=4 33313 B12R1.310 CCCC(C)OC/C=C/C1CC1 3fdc203902749be6b22a6a0d5f178ab3 [0,2,0,1,0,0|0,0,1]=4 33314 B12R1.310 CCCC(C)OCC#CC1CC1 e68feb9aa5ec605abb71acb9cd780c33 [0,2,0,1,0,0|0,0,1]=4 33315 B12R1.310 CCCC(C)OCCCC1CC1 1ea5b09d6e8dcb94d0f8acbc09921d35 [0,2,0,1,0,0|0,0,0]=3 33316 B12R1.310 CCCC(C)OCCOC1CC1 cf04836d2bb4d35701252a0e12834c4a [0,2,0,1,0,0|0,0,0]=3 33317 B12R1.310 CCCC(O)CNCCC1CC1 8452a0a3568209693fd79c33870c2463 [0,2,0,1,0,0|1,0,0]=4 33318 B12R1.310 CCCC(S)CCOCC1CC1 39148fc091ce9eb90eb3ea1a42f7530c [0,2,0,1,0,0|0,0,0]=3 33319 B12R1.310 CCC[C@@H](C)OCCOC1CC1 f814fe667a85066061607ad4ee8a0cf8 [0,2,0,1,0,0|0,0,0]=3 33320 B12R1.310 CCC[C@H](C)NCCOC1CC1 4412c94a8ffa73d8816a803bc24fb4f8 [0,2,0,1,0,0|1,0,0]=4 33321 B12R1.310 CCC[C@H](C)OCCOC1CC1 fa07b01a3ba603b89f0f927fb74e9fcb [0,2,0,1,0,0|0,0,0]=3 33322 B12R1.310 CCNC(=O)CCOCC1CC1 61e8f3bf495d8d92ee17b6c5e62c46ba [0,2,0,1,0,0|0,0,1]=4 33323 B12R1.310 CCNC(=O)COCCC1CC1 e276248ced3940d7460cf97579f1b9ea [0,2,0,1,0,0|0,0,1]=4 33324 B12R1.310 CCOC(=O)CCOCC1CC1 ed8f7a42b3ca6d8edcf5098fa9e659bf [0,2,0,1,0,0|0,0,1]=4 33325 B12R1.310 CCOC(=O)COCCC1CC1 c9b01d3508f16c18b499953bc74106e7 [0,2,0,1,0,0|0,0,1]=4 33326 B12R1.310 CCOC(C)CNCCC1CC1 b01974d5a18c2c4221680632aa0d995f [0,2,0,1,0,0|1,0,0]=4 33327 B12R1.310 CCOC(C)COCCC1CC1 1cb1880c4e57ff5735aa2853f3ac9332 [0,2,0,1,0,0|0,0,0]=3 33328 B12R1.310 COCC(=O)COCCC1CC1 907f497e3915512c906c876d32ae387c [0,2,0,1,0,0|0,0,1]=4 33329 B12R1.310 COCC(C)COCCC1CC1 6e121aeb6c3476174420988835257e69 [0,2,0,1,0,0|0,0,0]=3 33330 B12R1.310 COCC(C)OCCCC1CC1 2a097f676115fd3a8714fe4ee516f9b5 [0,2,0,1,0,0|1,0,0]=4 33331 B12R1.310 COCC(C)OCCOC1CC1 69325bdf6dffe0aadf2bbbad193625fa [0,2,0,1,0,0|1,0,0]=4 33332 B12R1.310 COCC(O)CNCCC1CC1 66aac5467976defa1ee1ca986461df3b [0,2,0,1,0,0|1,0,0]=4 33333 B12R1.310 COC[C@@H](C)OCCOC1CC1 bba6eb98a0bbf39557dd84a699401a0f [0,2,0,1,0,0|1,0,0]=4 33334 B12R1.310 COC[C@@H](O)CNCCC1CC1 91bf224ea8a6c0df45f117dfe575b422 [0,2,0,1,0,0|1,0,0]=4 33335 B12R1.310 COC[C@H](C)COCCC1CC1 8bd0fc5a98f350a12a9241db268ff453 [0,2,0,1,0,0|0,0,0]=3 33336 B12R1.310 COC[C@H](C)OCCOC1CC1 311b612c5c42dd1f8f05e15ced864635 [0,2,0,1,0,0|1,0,0]=4 33337 B12R1.310 CSCC(C)OCCOC1CC1 f5aa15d18a82d99b81effb388f11edf0 [0,2,0,1,0,0|1,0,0]=4 33338 B12R1.310 OCC[C@H](O)CNCCC1CC1 bf799989efbcf949d8ffc184ba475be4 [0,2,0,1,0,0|1,0,0]=4 33339 B12R1.310 OCC[C@H](O)COCCC1CC1 f3b79093c1ddb7fdab6fb830912a151e [0,2,0,1,0,0|0,0,0]=3 33340 B12R1.310 OCC[C@H](O)COCCN1CC1 448fb90343f479e66053a6c3250cf1bb [0,2,0,1,0,0|1,0,0]=4 33341 B12R1.311 CC1OCC1OC[C@@H](O)CCO 775c77dd0b6785ef8858abb40379c5dc [0,2,0,1,0,0|1,0,0]=4 33342 B12R1.311 CCCC(=O)CN[C@@H]1CC[C@H]1C c2cdfe9e8750f1b09ad2a0ee2b6588ff [0,2,0,1,0,0|1,0,0]=4 33343 B12R1.311 CCCC(=O)CN[C@H]1CC[C@H]1C 7c4d1bc2825bf7f971b7446c3fc9d711 [0,2,0,1,0,0|1,0,0]=4 33344 B12R1.311 CCCC(=O)COC1COC1C 05a7e6ed66c2fb2eeceadc1db6a45c78 [0,2,0,1,0,0|0,0,1]=4 33345 B12R1.311 CCCC(C)CNC1CCC1F 1da78eb381f47d07b1274dee5ff1685c [0,2,0,1,0,0|1,0,0]=4 33346 B12R1.311 CCCC(C)CNC1CCC1O d8f95177b4b945cbf368e453aef54750 [0,2,0,1,0,0|1,0,0]=4 33347 B12R1.311 CCCC(C)CNC1COC1C bc6485389290c83faef8d7a45bb62bb9 [0,2,0,1,0,0|1,0,0]=4 33348 B12R1.311 CCCC(C)CN[C@@H]1CC[C@@H]1O ce65882e8badd5d0adf095530572ec22 [0,2,0,1,0,0|1,0,0]=4 33349 B12R1.311 CCCC(C)CN[C@@H]1CC[C@H]1C 7391b377dfcc9e06b572c6c71bc582bb [0,2,0,1,0,0|1,0,0]=4 33350 B12R1.311 CCCC(C)CN[C@@H]1CC[C@H]1O 0cba21a55564f2a917dfb7c1f5a0df0e [0,2,0,1,0,0|1,0,0]=4 33351 B12R1.311 CCCC(C)CN[C@H]1CC[C@@H]1O 4eb1365029faae9f44ad2295ba64e097 [0,2,0,1,0,0|1,0,0]=4 33352 B12R1.311 CCCC(C)CN[C@H]1CC[C@H]1C 7f96f074b23b98cab19d4c2563cc1c29 [0,2,0,1,0,0|1,0,0]=4 33353 B12R1.311 CCCC(C)CN[C@H]1CC[C@H]1O 35cd610cae4a7d8a27eecdd9048840ea [0,2,0,1,0,0|1,0,0]=4 33354 B12R1.311 CCCC(C)COC1COC1C ce6f328c6d4b7ad625f813908fdaf128 [0,2,0,1,0,0|0,0,0]=3 33355 B12R1.311 CCCC(C)NCC1CCN1C 0142e96dfa6e12a72f5e5354f8a72308 [0,2,0,1,0,0|1,0,0]=4 33356 B12R1.311 CCCC(C)OCC1CCC1=O 960e724a099e8c95def73872da897070 [0,2,0,1,0,0|0,0,1]=4 33357 B12R1.311 CCCC(C)OCC1CCC1F 9e7c1cf2174d1fb80bee87c6e33d1c0e [0,2,0,1,0,0|0,0,0]=3 33358 B12R1.311 CCCC(C)OCC1CCN1C a37e3c9b3e9c2b7c24f02d4924a65288 [0,2,0,1,0,0|0,0,0]=3 33359 B12R1.311 CCCC(C)OC[C@@H]1CCN1C 93f44479c10432d8d68c241c1837a92f [0,2,0,1,0,0|0,0,0]=3 33360 B12R1.311 CCCC(C)OC[C@H]1CCN1C e78352b4356ce4678c0599affaa5c1a8 [0,2,0,1,0,0|0,0,0]=3 33361 B12R1.311 COCC(C)OCC1CCC1F 6bb828254656cb4dee3597922bcccf48 [0,2,0,1,0,0|1,0,0]=4 33362 B12R1.311 COCC(C)OCC1CCN1C ec7bf984e08c299d34f9596529ef532a [0,2,0,1,0,0|1,0,0]=4 33363 B12R1.311 COCC(C)OC[C@@H]1CCN1C fa85a176da6d06e13242e7d1de6ff718 [0,2,0,1,0,0|1,0,0]=4 33364 B12R1.311 COCC(C)OC[C@H]1CCN1C 2fac1519d17f56ff3eaa51dd15cf5ab5 [0,2,0,1,0,0|1,0,0]=4 33365 B12R1.311 COCC(O)CN[C@@H]1CC[C@H]1C f419b1863b2cec875c6d544e62bfb5f2 [0,2,0,1,0,0|1,0,0]=4 33366 B12R1.311 COCC(O)CN[C@H]1CC[C@H]1C d4c476063526861a1bb8480d2d7dbdca [0,2,0,1,0,0|1,0,0]=4 33367 B12R1.311 C[C@@H]1CC[C@@H]1NC[C@@H](O)CCO dac87f01a7b87aa62f7d9457c1d48170 [0,2,0,1,0,0|1,0,0]=4 33368 B12R1.311 C[C@@H]1CC[C@H]1NC[C@@H](O)CCO 049a5aa0bb847df9dca232cb3a776956 [0,2,0,1,0,0|1,0,0]=4 33369 B12R1.315 C=CCC(C)COCC1CCC1 ea92913f5af4b7b852eef8c9825b580e [0,2,0,1,0,0|0,0,1]=4 33370 B12R1.315 CC(CCO)CNCC1CCC1 c0275a6a08b7a5d1273cae2a7f8c819c [0,2,0,1,0,0|1,0,0]=4 33371 B12R1.315 CCCC(=O)CNCC1CCC1 27281dff6f9946712929ef1a2d15c447 [0,2,0,1,0,0|1,0,0]=4 33372 B12R1.315 CCCC(=O)COCC1CCC1 d60493aad543ba611ec030e93a681dc5 [0,2,0,1,0,0|0,0,0]=3 33373 B12R1.315 CCCC(=O)COCC1CCO1 664eb2a85c45aa7f61cf5d56e9e43135 [0,2,0,1,0,0|0,0,1]=4 33374 B12R1.315 CCCC(=O)COCC1COC1 1edf1d052541b4033842640ccfbea7e1 [0,2,0,1,0,0|0,0,1]=4 33375 B12R1.315 CCCC(=O)COCC1CSC1 08fe8e4f6505ff76d450d6a780bb59a6 [0,2,0,1,0,0|0,0,1]=4 33376 B12R1.315 CCCC(=O)COC[C@@H]1CCO1 42dd5cef036d9f056e1330bdd3d6f16f [0,2,0,1,0,0|0,0,1]=4 33377 B12R1.315 CCCC(=O)COC[C@H]1CCO1 eda1e02dc4a44dfc95d266ab643e0c85 [0,2,0,1,0,0|0,0,1]=4 33378 B12R1.315 CCCC(=O)OCNC1CCC1 aedd0edf9c7670a18cdc341b4c3d779c [0,2,0,1,0,0|0,0,1]=4 33379 B12R1.315 CCCC(=O)OCOC1CCC1 868af7332a80d5c01a4aa342c0dc846a [0,2,0,1,0,0|0,0,1]=4 33380 B12R1.315 CCCC(=S)OCCC1CCC1 20e8338f880556764713bf6a8e75c30f [0,2,0,1,0,0|0,0,1]=4 33381 B12R1.315 CCCC(=S)OCCC1CCO1 9417a236decd275228d42ffc3e3bea56 [0,2,0,1,0,0|0,0,1]=4 33382 B12R1.315 CCCC(=S)OCCC1COC1 2e6c6609fa0cbdda276ef6ff82fdca4d [0,2,0,1,0,0|0,0,1]=4 33383 B12R1.315 CCCC(C)CCOC1CCC1 39f9d174d70a860370e14dff2b6907ff [0,2,0,1,0,0|0,0,0]=3 33384 B12R1.315 CCCC(C)CCOC1COC1 636dd177fe0ceb3e7b845abab1ab4d64 [0,2,0,1,0,0|1,0,0]=4 33385 B12R1.315 CCCC(C)CNCC1CCC1 64c9e84402f37d0a51d6466b9b7235f3 [0,2,0,1,0,0|1,0,0]=4 33386 B12R1.315 CCCC(C)CNCC1CCO1 089ee683fcfb64a30b9a58027cc0ce08 [0,2,0,1,0,0|1,0,0]=4 33387 B12R1.315 CCCC(C)CNCC1COC1 943f26c13b490835fa5040a0a3e5a73b [0,2,0,1,0,0|1,0,0]=4 33388 B12R1.315 CCCC(C)CNC[C@@H]1CCO1 ebfd99fdf17a10da4d589817ecdabc0a [0,2,0,1,0,0|1,0,0]=4 33389 B12R1.315 CCCC(C)CNC[C@H]1CCO1 88d09c1ec0715d847d3922a3d770c7f6 [0,2,0,1,0,0|1,0,0]=4 33390 B12R1.315 CCCC(C)COCC1CCC1 5a283e8eb8f76b37e9a80c5143246e8a [0,2,0,1,0,0|0,0,0]=3 33391 B12R1.315 CCCC(C)COCC1CCO1 a834d8db041fd31c55cd57da4f783ebe [0,2,0,1,0,0|0,0,0]=3 33392 B12R1.315 CCCC(C)COCC1COC1 a82691c0bb5657fc48523fed6299afa0 [0,2,0,1,0,0|0,0,0]=3 33393 B12R1.315 CCCC(C)COCC1CSC1 5b39f63f362f64c7b513fcea2b270d73 [0,2,0,1,0,0|0,0,0]=3 33394 B12R1.315 CCCC(C)COC[C@@H]1CCO1 771f09272b85e4497dd9490cf7dddec8 [0,2,0,1,0,0|0,0,0]=3 33395 B12R1.315 CCCC(C)COC[C@H]1CCO1 eb1b62ec9d98f2a3a305d63237193341 [0,2,0,1,0,0|0,0,0]=3 33396 B12R1.315 CCCC(C)NCCC1CCC1 0acc8516a2b4d2177a086154d31336d8 [0,2,0,1,0,0|1,0,0]=4 33397 B12R1.315 CCCC(C)NCCC1CCO1 dcf1e0f58e6d0226e6af8c7742c88c5a [0,2,0,1,0,0|1,0,0]=4 33398 B12R1.315 CCCC(C)NCCC1COC1 2711a1acf4e218194c29e8ac58256325 [0,2,0,1,0,0|1,0,0]=4 33399 B12R1.315 CCCC(C)NCCN1CCC1 52c984bf7b186acf4cb62c7b9d2b8d04 [0,2,0,1,0,0|1,0,0]=4 33400 B12R1.315 CCCC(C)NCC[C@@H]1CCO1 4c2fd10706e0f0fe6f615370397077e2 [0,2,0,1,0,0|1,0,0]=4 33401 B12R1.315 CCCC(C)OCCC1CCC1 d4ab96e7e34440fb49282cd210264e66 [0,2,0,1,0,0|0,0,0]=3 33402 B12R1.315 CCCC(C)OCCC1CCO1 4de64bba23336651148c3e125d8300d6 [0,2,0,1,0,0|0,0,0]=3 33403 B12R1.315 CCCC(C)OCCC1COC1 0f623a161fe937cb8a03aeb84c3b65db [0,2,0,1,0,0|0,0,0]=3 33404 B12R1.315 CCCC(C)OCCN1CCC1 5346cd2eb3098ddf0efdc1e2113cf351 [0,2,0,1,0,0|0,0,0]=3 33405 B12R1.315 CCCC(C)OCC[C@@H]1CCO1 00bc9d907e32ff4cc002f18388232dac [0,2,0,1,0,0|0,0,0]=3 33406 B12R1.315 CCCC(C)OCC[C@H]1CCO1 d49a385d7d683086048947e2877c0bd6 [0,2,0,1,0,0|0,0,0]=3 33407 B12R1.315 CCCC(O)CNCC1CCC1 e5a32e761064f3926c0c320186f6e2d5 [0,2,0,1,0,0|1,0,0]=4 33408 B12R1.315 CCCC(O)CNCC1CCO1 4cdd9a77b6e4d7677f9bdad9ff64abc8 [0,2,0,1,0,0|1,0,0]=4 33409 B12R1.315 CCCC(O)CNCC1COC1 2a6c3bc53f4a15bc70a4651ec25e1135 [0,2,0,1,0,0|1,0,0]=4 33410 B12R1.315 CCCC(O)CNC[C@@H]1CCO1 6425fadb538bbb3f68e0a3f9b0ab7cab [0,2,0,1,0,0|1,0,0]=4 33411 B12R1.315 CCCC(O)CNC[C@H]1CCO1 1917b30cfc1418150220bcae27199c5e [0,2,0,1,0,0|1,0,0]=4 33412 B12R1.315 CCCC(S)CCOC1CCC1 f90721acfe21018de546625d4adaa670 [0,2,0,1,0,0|0,0,0]=3 33413 B12R1.315 CCCC(S)CCOC1COC1 b7cb1cafb6ee6d00274c328e643a934b [0,2,0,1,0,0|1,0,0]=4 33414 B12R1.315 CCCN(C)CCOC1CCC1 25e3097b4fe250a12b2767b816bbec22 [0,2,0,1,0,0|0,0,0]=3 33415 B12R1.315 CCC[C@@H](C)OCCC1CCC1 b4af0d82ec316fc929af8aa2a751d4f8 [0,2,0,1,0,0|0,0,0]=3 33416 B12R1.315 CCC[C@@H](C)OCCC1CCO1 cbabea64f4f2fc360ded6844de7a9ccb [0,2,0,1,0,0|0,0,0]=3 33417 B12R1.315 CCC[C@@H](C)OCCC1COC1 516514d16603a08cf3f36b33e4256e41 [0,2,0,1,0,0|0,0,0]=3 33418 B12R1.315 CCC[C@H](C)NCCC1CCC1 3c3f79aa40c517eecbbd7d41a026f49c [0,2,0,1,0,0|1,0,0]=4 33419 B12R1.315 CCC[C@H](C)NCCC1CCO1 9bf0494433c3e58df1dda1f707fc0a57 [0,2,0,1,0,0|1,0,0]=4 33420 B12R1.315 CCC[C@H](C)NCCC1COC1 831b4966f666824fbb29154650618b11 [0,2,0,1,0,0|1,0,0]=4 33421 B12R1.315 CCC[C@H](C)OCCC1CCC1 489b08bfae5bb114c343be76a4e42529 [0,2,0,1,0,0|0,0,0]=3 33422 B12R1.315 CCC[C@H](C)OCCC1CCO1 7827de1b941301925322a831a2443589 [0,2,0,1,0,0|0,0,0]=3 33423 B12R1.315 CCC[C@H](C)OCCC1COC1 b6c90e89426a37adb56b69dd2b149c7e [0,2,0,1,0,0|0,0,0]=3 33424 B12R1.315 CCNC(=O)CCOC1CCC1 08308c26e2a83262ba2cea085d101d7c [0,2,0,1,0,0|0,0,1]=4 33425 B12R1.315 CCNC(=O)COCC1CCC1 1252973d6b8da129bfe5aa385c241e64 [0,2,0,1,0,0|0,0,1]=4 33426 B12R1.315 CCOC(=O)CCOC1CCC1 d9327980f76916f039b388169945b823 [0,2,0,1,0,0|0,0,1]=4 33427 B12R1.315 CCOC(=O)COCC1CCC1 c8ce7c899ad84654b5fad4d5992ac45c [0,2,0,1,0,0|0,0,1]=4 33428 B12R1.315 CCOC(C)CNCC1CCC1 51ab527a90baca4a6276af5b9cbf67c2 [0,2,0,1,0,0|1,0,0]=4 33429 B12R1.315 CCOC(C)COCC1CCC1 7e945be94d72cb9d1b5fc2393de38f73 [0,2,0,1,0,0|0,0,0]=3 33430 B12R1.315 CCOC(C)COCC1CCO1 afc5623760595f7fc67dd1a2db095f1d [0,2,0,1,0,0|1,0,0]=4 33431 B12R1.315 CCOC(C)COCC1COC1 10727077f6becb4a5226f8bb674c0ce4 [0,2,0,1,0,0|1,0,0]=4 33432 B12R1.315 CCOC(C)COC[C@@H]1CCO1 12528253ced7c7d976359cc6a14df748 [0,2,0,1,0,0|1,0,0]=4 33433 B12R1.315 CCOC(C)COC[C@H]1CCO1 8719f01e6fd139cb2b98c5affa398488 [0,2,0,1,0,0|1,0,0]=4 33434 B12R1.315 CN(CCF)CCOC1CCC1 50663a119fe64ffcdb6f1392995fdbb3 [0,2,0,1,0,0|1,0,0]=4 33435 B12R1.315 CN(CCO)CCOC1CCC1 88f69490b62270a7fa0b5b2821e84d27 [0,2,0,1,0,0|1,0,0]=4 33436 B12R1.315 COCC(=O)COCC1CCC1 30de02f52fd6f86546cf3a6673c3f110 [0,2,0,1,0,0|0,0,1]=4 33437 B12R1.315 COCC(C)COCC1CCO1 36deb12eebe359b5074ec5cae97b207b [0,2,0,1,0,0|1,0,0]=4 33438 B12R1.315 COCC(C)COCC1COC1 3095812c871078a24b2a7941476de013 [0,2,0,1,0,0|1,0,0]=4 33439 B12R1.315 COCC(C)COC[C@@H]1CCO1 c50f72ab9fa99aec51861f65e9512ac5 [0,2,0,1,0,0|1,0,0]=4 33440 B12R1.315 COCC(C)COC[C@H]1CCO1 2ebdceea5738676e5d196bcfef51e0cf [0,2,0,1,0,0|1,0,0]=4 33441 B12R1.315 COCC(C)OCCC1CCC1 00ae51db47ec8e8faa5f072eb189fcbc [0,2,0,1,0,0|1,0,0]=4 33442 B12R1.315 COCC(C)OCCC1CCO1 6c05b63ff8d93f6641b118bb9ee3462f [0,2,0,1,0,0|1,0,0]=4 33443 B12R1.315 COCC(C)OCCC1COC1 8cf2cfd22218892931222db8cde443ab [0,2,0,1,0,0|1,0,0]=4 33444 B12R1.315 COCC(C)OCCN1CCC1 0532be7352ff120d7716ead21f5479e9 [0,2,0,1,0,0|1,0,0]=4 33445 B12R1.315 COCC(C)OCC[C@@H]1CCO1 90ae2c3002053a0958bc507f7bbe4251 [0,2,0,1,0,0|1,0,0]=4 33446 B12R1.315 COCC(C)OCC[C@H]1CCO1 f9afa27e359efb8f029230348737bad7 [0,2,0,1,0,0|1,0,0]=4 33447 B12R1.315 COCC(O)CNCC1CCC1 e5218690b595367defe370c6edbdb9eb [0,2,0,1,0,0|1,0,0]=4 33448 B12R1.315 COC[C@@H](C)OCCC1CCC1 64fd862602e06087706bf404923ec4fa [0,2,0,1,0,0|1,0,0]=4 33449 B12R1.315 COC[C@@H](C)OCCC1CCO1 6d62071b820174e66dbaa9c8215a5b45 [0,2,0,1,0,0|1,0,0]=4 33450 B12R1.315 COC[C@@H](C)OCCC1COC1 a8721b354bbae3540c8cc116e792e185 [0,2,0,1,0,0|1,0,0]=4 33451 B12R1.315 COC[C@@H](O)CNCC1CCC1 778842c96c1b3135177a4d4c0bca2130 [0,2,0,1,0,0|1,0,0]=4 33452 B12R1.315 COC[C@H](C)COCC1CCO1 4a0729fe0095c9424579858cf960a586 [0,2,0,1,0,0|1,0,0]=4 33453 B12R1.315 COC[C@H](C)COCC1COC1 a53c02d7a6e4c21d83dc238de3fca6c5 [0,2,0,1,0,0|1,0,0]=4 33454 B12R1.315 COC[C@H](C)COC[C@@H]1CCO1 3ca8e9be163178329465c8ba15307a58 [0,2,0,1,0,0|1,0,0]=4 33455 B12R1.315 COC[C@H](C)COC[C@H]1CCO1 0743df3aefff72ba373b2f093b290fb2 [0,2,0,1,0,0|1,0,0]=4 33456 B12R1.315 COC[C@H](C)OCCC1CCC1 dc680ff7836d900d3fdcc279dfd9c2f9 [0,2,0,1,0,0|1,0,0]=4 33457 B12R1.315 COC[C@H](C)OCCC1CCO1 1ce6c83b5ca37a70f6a0e51dd64d2731 [0,2,0,1,0,0|1,0,0]=4 33458 B12R1.315 COC[C@H](C)OCCC1COC1 052cf47ce423e5e87af93fc653b0fab7 [0,2,0,1,0,0|1,0,0]=4 33459 B12R1.315 CSCC(C)OCCC1CCC1 e5acf7a9b9df3574d65312550dc79fd3 [0,2,0,1,0,0|1,0,0]=4 33460 B12R1.315 CSCC(C)OCCC1CCO1 c836145d0236ec3b547b95d0819c3e18 [0,2,0,1,0,0|1,0,0]=4 33461 B12R1.315 CSCC(C)OCCC1COC1 07f950aea77dd8fb2bd39fd3c10d38e4 [0,2,0,1,0,0|1,0,0]=4 33462 B12R1.315 OCC[C@H](O)CNCC1CCC1 9048f3798bb9c6c70ab691d8af0f84a8 [0,2,0,1,0,0|1,0,0]=4 33463 B12R1.315 OCC[C@H](O)COCC1CCC1 a99b825a3977cddbb255000cd1aefc4f [0,2,0,1,0,0|0,0,0]=3 33464 B12R1.315 OCC[C@H](O)COCC1CCO1 ce5b26f6f721deb9721142d4e6515de7 [0,2,0,1,0,0|1,0,0]=4 33465 B12R1.315 OCC[C@H](O)COCC1COC1 9fcd58147357ae72a63daff0c0131298 [0,2,0,1,0,0|1,0,0]=4 33466 B12R1.315 OCC[C@H](O)COCC1CSC1 bf7d20e141c0aa952233255e97db35cd [0,2,0,1,0,0|1,0,0]=4 33467 B12R1.315 OCC[C@H](O)COC[C@@H]1CCO1 8646c105ac5f2d0904d2fcf2ae69c504 [0,2,0,1,0,0|1,0,0]=4 33468 B12R1.315 OCC[C@H](O)COC[C@H]1CCO1 75c487b3174446b1b24437f43dce57a2 [0,2,0,1,0,0|1,0,0]=4 33469 B12R1.316 CCCC(C)N1CCCC1CC 99f1baef0404467dfc245e36efb1d36c [0,2,0,1,0,0|1,0,0]=4 33470 B12R1.316 CCCC(C)N1CCCC1CO c11b254bb92be00e96da9b301a963794 [0,2,0,1,0,0|1,0,0]=4 33471 B12R1.316 CCCC(C)N1CCCC1OC 70411266e99db0b291f9af14af0264e4 [0,2,0,1,0,0|1,0,0]=4 33472 B12R1.316 CCCC(C)N1CCC[C@@H]1CF ab3cccc6679a3df6000dc3b85fc40be5 [0,2,0,1,0,0|1,0,0]=4 33473 B12R1.316 CCCC(C)N1CCC[C@@H]1CO 4535de47e1d53bbbe05a6b0195860c44 [0,2,0,1,0,0|1,0,0]=4 33474 B12R1.316 CCCC(C)N1CCC[C@H]1CC 572a44e7150374642bfd314c399f1045 [0,2,0,1,0,0|1,0,0]=4 33475 B12R1.316 CCCC(C)N1CCC[C@H]1CF d0ea45f945709eec551a8738fe560623 [0,2,0,1,0,0|1,0,0]=4 33476 B12R1.316 CCCC(C)N1CCC[C@H]1CO 395cea62479e4df6247a59b15e26c7b7 [0,2,0,1,0,0|1,0,0]=4 33477 B12R1.316 CCCN(C)C1COCC1CO e7260a653e1b403b160206d4cec23438 [0,2,0,1,0,0|1,0,0]=4 33478 B12R1.318 CC1CCCN1C[C@@H](O)CCO c3a3b91e96f401dfca00f26dc6be4762 [0,2,0,1,0,0|1,0,0]=4 33479 B12R1.318 CCCC(=O)CN1CCCC1C cd57ad0f5e35fd60cbe81a61b2c24d23 [0,2,0,1,0,0|1,0,0]=4 33480 B12R1.318 CCCC(=O)CN1CCC[C@@H]1C 27da4b99ce77b8e78d684a9872cf4430 [0,2,0,1,0,0|1,0,0]=4 33481 B12R1.318 CCCC(=O)CN1CCC[C@H]1C 3107c66f4cb5e6629d645690ec18c70a [0,2,0,1,0,0|1,0,0]=4 33482 B12R1.318 CCCC(C)CN1CCCC1C 76d8a64060d8a4240103605a34bb992a [0,2,0,1,0,0|1,0,0]=4 33483 B12R1.318 CCCC(C)CN1CCCC1O 52309e96178dc45571695f7b871bc10d [0,2,0,1,0,0|1,0,0]=4 33484 B12R1.318 CCCC(C)CN1CCC[C@@H]1C efc3da21984ae390c688dd0f7612f149 [0,2,0,1,0,0|1,0,0]=4 33485 B12R1.318 CCCC(C)CN1CCC[C@H]1C 9c92f52d5ec06076bfb62930304ad5ba [0,2,0,1,0,0|1,0,0]=4 33486 B12R1.318 CCCC(C)CN1CCSC1C 7e263c1c4d7be70059b4d7a995ab98df [0,2,0,1,0,0|1,0,0]=4 33487 B12R1.318 CCCC(C)NC1CCCC1O be9215e10aa0da3b2221f99f5e7e0ed1 [0,2,0,1,0,0|1,0,0]=4 33488 B12R1.318 CCCC(C)N[C@@H]1CCC[C@@H]1O 338fcd7ecc98d9f663fae7a10afce404 [0,2,0,1,0,0|1,0,0]=4 33489 B12R1.318 CCCC(C)N[C@@H]1CCC[C@H]1O 6d3d8093e24b72655b402d2de3133ffb [0,2,0,1,0,0|1,0,0]=4 33490 B12R1.318 CCCC(C)N[C@H]1CCC[C@@H]1O 28629e2dc25dc40047f981f2b97bfe80 [0,2,0,1,0,0|1,0,0]=4 33491 B12R1.318 CCCC(C)N[C@H]1CCC[C@H]1O f2821ad5c889a6e75ac3a6e2dc392dbe [0,2,0,1,0,0|1,0,0]=4 33492 B12R1.318 CCCC(C)OC1CCCC1C 6d9852b5b86d4a5591e255a2bf1df216 [0,2,0,1,0,0|0,0,0]=3 33493 B12R1.318 CCCC(C)OC1COCC1C 289a7bbbbf17bcb13e07efe2f68951b6 [0,2,0,1,0,0|0,0,0]=3 33494 B12R1.318 CCCC(C)OC1COCC1F 79176a2d3cca70a3aa545e5282be424b [0,2,0,1,0,0|1,0,0]=4 33495 B12R1.318 CCCC(C)O[C@@H]1CCC[C@@H]1C 77a33a96ce121107da432fb7c31ffe0f [0,2,0,1,0,0|0,0,0]=3 33496 B12R1.318 CCCC(C)O[C@@H]1CCC[C@H]1C 4d4b7d9611da5e44fda4c1ecc7ec5060 [0,2,0,1,0,0|0,0,0]=3 33497 B12R1.318 CCCC(C)O[C@@H]1CCC[C@H]1F a86f925be0db86a9ec6e3648c2d1eefc [0,2,0,1,0,0|0,0,0]=3 33498 B12R1.318 CCCC(C)O[C@@H]1COC[C@@H]1C f0ad79e50e5a91d8f2636b7abb9f9168 [0,2,0,1,0,0|0,0,0]=3 33499 B12R1.318 CCCC(C)O[C@@H]1COC[C@H]1F a5d784ba5ca8673cd2857c89f1fd6813 [0,2,0,1,0,0|1,0,0]=4 33500 B12R1.318 CCCC(C)O[C@H]1CCC[C@@H]1C 98361b0670bbfb46a1ce75a1f235603c [0,2,0,1,0,0|0,0,0]=3 33501 B12R1.318 CCCC(C)O[C@H]1CCC[C@H]1C fe8b5059f493b7b099c6c2ecfcc3080b [0,2,0,1,0,0|0,0,0]=3 33502 B12R1.318 CCCC(C)O[C@H]1COC[C@@H]1C 47fb3b6d0f9206f8f6c6bec8286c3c8c [0,2,0,1,0,0|0,0,0]=3 33503 B12R1.318 CCCC(C)O[C@H]1COC[C@H]1C 6c0d8ad58f61b768b0e458be17afd4af [0,2,0,1,0,0|0,0,0]=3 33504 B12R1.318 CCCC(C)O[C@H]1COC[C@H]1F 1f645d316fa5633ae5af68357505adbb [0,2,0,1,0,0|1,0,0]=4 33505 B12R1.318 CCC[C@H](C)NC1CCCC1O c4d8d0021140d087b3ae7ac5c2e7de6f [0,2,0,1,0,0|1,0,0]=4 33506 B12R1.318 CCC[C@H](C)N[C@@H]1CCC[C@H]1O 0c3151451ed90beaf092f15a72eb7bd8 [0,2,0,1,0,0|1,0,0]=4 33507 B12R1.318 CCC[C@H](C)N[C@H]1CCC[C@@H]1O a02a8d13f75ddf5cc097acb685da8c65 [0,2,0,1,0,0|1,0,0]=4 33508 B12R1.318 COCC(C)OC1CCCC1C 7b5504e1be65da45aa8a129c1ef141c4 [0,2,0,1,0,0|1,0,0]=4 33509 B12R1.318 COCC(C)OC1COCC1C 068bc784dcaa287c4b62aaaece478db3 [0,2,0,1,0,0|1,0,0]=4 33510 B12R1.318 COCC(C)O[C@@H]1CCC[C@@H]1C 74b8077eca0247edc00a1887c945c1a5 [0,2,0,1,0,0|1,0,0]=4 33511 B12R1.318 COCC(C)O[C@@H]1CCC[C@H]1C d3f3fe6c3d9d83361bf6e0d95ea0b7aa [0,2,0,1,0,0|1,0,0]=4 33512 B12R1.318 COCC(C)O[C@@H]1CCC[C@H]1F 42086f5d40de7c3167441792e9b5353d [0,2,0,1,0,0|1,0,0]=4 33513 B12R1.318 COCC(C)O[C@@H]1COC[C@@H]1C cc01a9d430545ddb88041620757f2780 [0,2,0,1,0,0|1,0,0]=4 33514 B12R1.318 COCC(C)O[C@H]1CCC[C@@H]1C 7024e7fb8506dfe6bca0bcb6172d0156 [0,2,0,1,0,0|1,0,0]=4 33515 B12R1.318 COCC(C)O[C@H]1CCC[C@H]1C 9efc7ef9ba2026a59bb5cea06ded5482 [0,2,0,1,0,0|1,0,0]=4 33516 B12R1.318 COCC(C)O[C@H]1COC[C@@H]1C dd895b5b0a3753240d8ea2c30953b616 [0,2,0,1,0,0|1,0,0]=4 33517 B12R1.318 COCC(C)O[C@H]1COC[C@H]1C 97564941dfdbb208b1ddfceb1a932a99 [0,2,0,1,0,0|1,0,0]=4 33518 B12R1.318 COCC(O)CN1CCCC1C 88a89ec003c77a9254daa74398991189 [0,2,0,1,0,0|1,0,0]=4 33519 B12R1.318 COCC(O)CN1CCC[C@@H]1C 22f0068d8faf24c2a19b1c97fe7db131 [0,2,0,1,0,0|1,0,0]=4 33520 B12R1.318 COCC(O)CN1CCC[C@H]1C ba81df065e128a1417437a07454e2639 [0,2,0,1,0,0|1,0,0]=4 33521 B12R1.318 C[C@@H]1CCCN1C[C@@H](O)CCO 03738b64a6663f66151735276b5c1cca [0,2,0,1,0,0|1,0,0]=4 33522 B12R1.318 C[C@H]1CCCN1C[C@@H](O)CCO 870cf475f7710f31e7fccc9feb3e7866 [0,2,0,1,0,0|1,0,0]=4 33523 B12R1.319 CCC1CCN1CC(O)COC 01acfb8ca3cc913d0246cdcd933f3c24 [0,2,0,1,0,0|1,0,0]=4 33524 B12R1.319 CCC1CCN1C[C@@H](O)CCO 85bad089f5ee4319ff5e3a59df323e20 [0,2,0,1,0,0|1,0,0]=4 33525 B12R1.319 CCCC(=O)CN1CCC1CC d89e6c1ead0f68f00a3807dbe2a66491 [0,2,0,1,0,0|1,0,0]=4 33526 B12R1.319 CCCC(C)CN1CCC1CC 1e682a12f082e426d3bfa653f641a024 [0,2,0,1,0,0|1,0,0]=4 33527 B12R1.319 CCCC(C)CN1CCC1CO 54338addf9ed666728e2216351502d58 [0,2,0,1,0,0|1,0,0]=4 33528 B12R1.319 CCCC(C)CN1CC[C@@H]1CO 6c47a07bbd2dbc4321124ed0d24000a9 [0,2,0,1,0,0|1,0,0]=4 33529 B12R1.319 CCCC(C)CN1CC[C@H]1CO dd61f13f2fceb0a11ca682e26dc30c3f [0,2,0,1,0,0|1,0,0]=4 33530 B12R1.319 CCCC(C)NC1CCC1OC a2f133e3afb0f9987fe2490f4b47d5ef [0,2,0,1,0,0|1,0,0]=4 33531 B12R1.319 CCCC(C)N[C@@H]1CC[C@@H]1OC 1033468355d80166485cd5c0e2a7ccd9 [0,2,0,1,0,0|1,0,0]=4 33532 B12R1.319 CCCC(C)N[C@@H]1CC[C@H]1OC 48795837e267197ef0a88f2cd447b167 [0,2,0,1,0,0|1,0,0]=4 33533 B12R1.319 CCCC(C)N[C@H]1CC[C@@H]1OC 72e34442cf73fcf51033b223eb9d5e1f [0,2,0,1,0,0|1,0,0]=4 33534 B12R1.319 CCCC(C)N[C@H]1CC[C@H]1OC 37a103283cd051fc3d8a072fddfc11c1 [0,2,0,1,0,0|1,0,0]=4 33535 B12R1.340 CCCCN1CCC(C1)CCC 2cfdd9d9b2409798edfd770e85068f53 [0,2,0,1,0,0|1,0,0]=4 33536 B12R1.340 CCCCN1CCC(C1)CCO ccd2cc0a8b411142bdd59a2a377bc6f2 [0,2,0,1,0,0|1,0,0]=4 33537 B12R1.340 CCCCN1CCC(C1)COC 3700ae8a9c55037de9d0f70d2abf26d4 [0,2,0,1,0,0|1,0,0]=4 33538 B12R1.340 CCCCN1CC[C@@H](C1)COC 9cf6b4d7dd7f6f319ad0c50908c0adcb [0,2,0,1,0,0|1,0,0]=4 33539 B12R1.340 CCCCN1CC[C@@H](C1)OCC 6749b683ec1e0781f15f37aed4f9a69b [0,2,0,1,0,0|1,0,0]=4 33540 B12R1.340 CCCCN1CC[C@H](C1)COC bbbe45f1ea6ffef2bfac3810ed0e305d [0,2,0,1,0,0|1,0,0]=4 33541 B12R1.340 CCCCN1CC[C@H](C1)OCC aecf70d678ab42cbcb188eaae0a40260 [0,2,0,1,0,0|1,0,0]=4 33542 B12R1.348 CCCCN1CCCC(=O)CC1 362f8610db3ef8625f816140d48d2ee2 [0,2,0,1,0,0|1,0,0]=4 33543 B12R1.348 CCCCN1CCCC(CC1)C e91cc80956484aa560b54955ffe7ef39 [0,2,0,1,0,0|1,0,0]=4 33544 B12R1.348 CCCCN1CCCC(CC1)F 8a9bdc7d1bfcf57a2be3297e3d56cf64 [0,2,0,1,0,0|1,0,0]=4 33545 B12R1.348 CCCCN1CCCC(CC1)O 6fb64106b301cfbe61ccaf1bfde95d74 [0,2,0,1,0,0|1,0,0]=4 33546 B12R1.348 CCCCN1CCCN(CC1)C 750b62e9c463e1f5dcfd121f0dc65fd2 [0,2,0,1,0,0|1,0,0]=4 33547 B12R1.348 CCCCN1CCC[C@@H](CC1)O 95c7e09f1f4a18dbd0bb8207f2c9c9fa [0,2,0,1,0,0|1,0,0]=4 33548 B12R1.348 CCCCN1CCC[C@H](CC1)O b0fc5ffe02f1b42ec402125eafd34ab2 [0,2,0,1,0,0|1,0,0]=4 33549 B12R1.372 C#CCCCCN1CCCC1C 92b9b7af33b2652544fd7f82ed6ecd21 [0,2,0,1,0,0|1,0,0]=4 33550 B12R1.372 C#CCCCCN1CCC[C@@H]1C f7c8859031931901bea5fac0a0ed1400 [0,2,0,1,0,0|1,0,0]=4 33551 B12R1.372 C#CCCCCN1CCC[C@H]1C 726fb26ddece931df787a909e8fe7775 [0,2,0,1,0,0|1,0,0]=4 33552 B12R1.372 C#CCCCOC1CCCC1C 964d286159649d7c4ee0cc159501428b [0,2,0,1,0,0|0,0,1]=4 33553 B12R1.372 C#CCCCOC1COCC1C 840a8e03b608249db944875540bf4085 [0,2,0,1,0,0|0,0,1]=4 33554 B12R1.372 C#CCCCO[C@@H]1CCC[C@@H]1C f8bf37914536748424bff610db73b30f [0,2,0,1,0,0|0,0,1]=4 33555 B12R1.372 C#CCCCO[C@@H]1CCC[C@H]1C 225057c3709ae2b67421f29e7e867941 [0,2,0,1,0,0|0,0,1]=4 33556 B12R1.372 C#CCCCO[C@@H]1CCC[C@H]1F 7888689c54aa12acb57341dab753a724 [0,2,0,1,0,0|0,0,1]=4 33557 B12R1.372 C#CCCCO[C@@H]1COC[C@@H]1C ded37e3cb5acb8c486a29185e530f2d2 [0,2,0,1,0,0|0,0,1]=4 33558 B12R1.372 C#CCCCO[C@H]1CCC[C@@H]1C 3f902c3277269381b09540717db2d7a7 [0,2,0,1,0,0|0,0,1]=4 33559 B12R1.372 C#CCCCO[C@H]1CCC[C@H]1C 85937772cd3220d76200976c19c3091d [0,2,0,1,0,0|0,0,1]=4 33560 B12R1.372 C#CCCCO[C@H]1COC[C@@H]1C 0b90a89f8b1bcd105f6c4ba6136ebaf2 [0,2,0,1,0,0|0,0,1]=4 33561 B12R1.372 C#CCCCO[C@H]1COC[C@H]1C eb6a81111d033eb85284ff45a62607b2 [0,2,0,1,0,0|0,0,1]=4 33562 B12R1.372 C#CCCOCC1OCCC1C a1c57437296acc71fcd2943d408856a3 [0,2,0,1,0,0|0,0,1]=4 33563 B12R1.372 C/C=C/COCC1OCCC1C efa7dcd5319cbc7ae6db090c61259060 [0,2,0,1,0,0|0,0,1]=4 33564 B12R1.372 C/C=C\CCCN1CCCC1C ba9b1fc7997384a34a861b87f28045c9 [0,2,0,1,0,0|1,0,0]=4 33565 B12R1.372 C/C=C\CCCN1CCC[C@@H]1C f35c824533e728a79c39a5892ad6bcd8 [0,2,0,1,0,0|1,0,0]=4 33566 B12R1.372 C/C=C\CCCN1CCC[C@H]1C 34f75f52250966d41d1b502338ee6b56 [0,2,0,1,0,0|1,0,0]=4 33567 B12R1.372 C/C=C\COCC1OCCC1C 0018336f19ab815489967af201e67c71 [0,2,0,1,0,0|0,0,1]=4 33568 B12R1.372 C=CCCCCN1CCCC1C 50401e72c8111944eb4ce7effb06b5a5 [0,2,0,1,0,0|1,0,0]=4 33569 B12R1.372 C=CCCCCN1CCC[C@@H]1C 4f18b2b94d5517ec4c0040ed2b2ed2cb [0,2,0,1,0,0|1,0,0]=4 33570 B12R1.372 C=CCCCCN1CCC[C@H]1C 3e4240103f021ed6e39ebd6b64d81aa1 [0,2,0,1,0,0|1,0,0]=4 33571 B12R1.372 C=CCCCOC1CCCC1C cdd6f672ed747b503302ac8c1b1fdd43 [0,2,0,1,0,0|0,0,1]=4 33572 B12R1.372 C=CCCCOC1COCC1C 7724563b31e2ab8876b9a30142527da0 [0,2,0,1,0,0|0,0,1]=4 33573 B12R1.372 C=CCCCO[C@@H]1CCC[C@@H]1C 0293587e8c0591ccd08993d315c31321 [0,2,0,1,0,0|0,0,1]=4 33574 B12R1.372 C=CCCCO[C@@H]1CCC[C@H]1C ba28532a0ba150965633f1b5bee1ad19 [0,2,0,1,0,0|0,0,1]=4 33575 B12R1.372 C=CCCCO[C@@H]1CCC[C@H]1F b16bd63f5314427962929122095d265d [0,2,0,1,0,0|0,0,1]=4 33576 B12R1.372 C=CCCCO[C@@H]1COC[C@@H]1C e78de33831d9f2167da3508ced658152 [0,2,0,1,0,0|0,0,1]=4 33577 B12R1.372 C=CCCCO[C@H]1CCC[C@@H]1C da99a4380acd109a27703aa50bb27d4e [0,2,0,1,0,0|0,0,1]=4 33578 B12R1.372 C=CCCCO[C@H]1CCC[C@H]1C 6ef640de4e8c97150e141a45d51ac0c0 [0,2,0,1,0,0|0,0,1]=4 33579 B12R1.372 C=CCCCO[C@H]1COC[C@@H]1C affd83b13eb6a07c190fd59269368fc0 [0,2,0,1,0,0|0,0,1]=4 33580 B12R1.372 C=CCCCO[C@H]1COC[C@H]1C f73280fe6a80c171131a276347e091de [0,2,0,1,0,0|0,0,1]=4 33581 B12R1.372 C=CCCOCC1OCCC1C a59b1a180675f277b6cb99457c1fb91a [0,2,0,1,0,0|0,0,1]=4 33582 B12R1.372 CC#CCCCN1CCCC1C 3d9422e1cb79ae7fddd402ea8c07dbeb [0,2,0,1,0,0|1,0,0]=4 33583 B12R1.372 CC#CCCCN1CCC[C@@H]1C c586c88d8080162fd437203a5ced90ca [0,2,0,1,0,0|1,0,0]=4 33584 B12R1.372 CC#CCCCN1CCC[C@H]1C 17c102c4bf815a8f90ec09b8dec88e3e [0,2,0,1,0,0|1,0,0]=4 33585 B12R1.372 CC/C=C/COC1CCCC1C bd34005a0e8c297021a7c9edd3f136d1 [0,2,0,1,0,0|0,0,1]=4 33586 B12R1.372 CC/C=C/COC1COCC1C e9292743c451129cdfc96a643721796a [0,2,0,1,0,0|0,0,1]=4 33587 B12R1.372 CC/C=C/CO[C@@H]1CCC[C@@H]1C 3e3a12cec57c6a91f0946e4951154015 [0,2,0,1,0,0|0,0,1]=4 33588 B12R1.372 CC/C=C/CO[C@@H]1CCC[C@H]1C 1296c0391264335d658d8e4e3dccab6d [0,2,0,1,0,0|0,0,1]=4 33589 B12R1.372 CC/C=C/CO[C@@H]1CCC[C@H]1F 83c5a19a15407ffe27199e39b9e5cfe9 [0,2,0,1,0,0|0,0,1]=4 33590 B12R1.372 CC/C=C/CO[C@@H]1COC[C@@H]1C 5996557b52eb4f3556a1da2b66ee5e98 [0,2,0,1,0,0|0,0,1]=4 33591 B12R1.372 CC/C=C/CO[C@H]1CCC[C@@H]1C 269dad81383395d1c453e062a8a3f26a [0,2,0,1,0,0|0,0,1]=4 33592 B12R1.372 CC/C=C/CO[C@H]1CCC[C@H]1C bba8e50da79ba1b03432e58494fe7138 [0,2,0,1,0,0|0,0,1]=4 33593 B12R1.372 CC/C=C/CO[C@H]1COC[C@@H]1C d0fef84d9db1db72f74c5c50222d8898 [0,2,0,1,0,0|0,0,1]=4 33594 B12R1.372 CC/C=C/CO[C@H]1COC[C@H]1C da017fa14d9656619510f51810216f87 [0,2,0,1,0,0|0,0,1]=4 33595 B12R1.372 CC/C=C\CCN1CCCC1C c7f71f4338d6fb4c00fe43e6fecf909e [0,2,0,1,0,0|1,0,0]=4 33596 B12R1.372 CC/C=C\CCN1CCC[C@@H]1C d6f568d4a07abd58ef3be0dc16c1f24b [0,2,0,1,0,0|1,0,0]=4 33597 B12R1.372 CC/C=C\CCN1CCC[C@H]1C e453e34575c359471a87bf401da319fc [0,2,0,1,0,0|1,0,0]=4 33598 B12R1.372 CC1CCCC1COCCCF ec01a711a74bd593ac2fc580c412df6a [0,2,0,1,0,0|1,0,0]=4 33599 B12R1.372 CC1CCCC1COCCCS 8f932400678cf0c0eaa2ef40588fb028 [0,2,0,1,0,0|1,0,0]=4 33600 B12R1.372 CC1CCCC1OCCCC#N 040f57c0537a3a7894d7ae80bf850768 [0,2,0,1,0,0|0,0,1]=4 33601 B12R1.372 CC1CCCC1OCCCC=O bddceee2aeb485bd451869cede8e0178 [0,2,0,1,0,0|0,0,1]=4 33602 B12R1.372 CC1CCCC1OCCCCF fda6960a08c66fb6349141d4e230f96f [0,2,0,1,0,0|0,0,0]=3 33603 B12R1.372 CC1CCCN1CCCCC#N 15524eba6a7b561a04f625c7c382abe1 [0,2,0,1,0,0|1,0,0]=4 33604 B12R1.372 CC1CCCN1CCCCC=O 50230dbfac515a80bae805348ae760dd [0,2,0,1,0,0|1,0,0]=4 33605 B12R1.372 CC1CCCN1CCCCCF 25e144bc5c368945368335202c80e169 [0,2,0,1,0,0|1,0,0]=4 33606 B12R1.372 CC1CCCN1CCCCCO 764010e142ec5153bc00d0b03d01cee4 [0,2,0,1,0,0|1,0,0]=4 33607 B12R1.372 CC1CCCN1CCCCON 68c198ec8669397ffdb6e4a072c1d8b2 [0,2,0,1,0,0|1,0,0]=4 33608 B12R1.372 CC1CCCN1CCOCCO 86750bd35310af925c0edcd834e9c77d [0,2,0,1,0,0|1,0,0]=4 33609 B12R1.372 CC1CCOC1COCCC#N f2996328d5e8da5e914a423337b7c86f [0,2,0,1,0,0|0,0,1]=4 33610 B12R1.372 CC1CCOC1COCCC=O 3e0f6130d28822780c0b61d7c52281e4 [0,2,0,1,0,0|0,0,1]=4 33611 B12R1.372 CC1CCOC1COCCCF ff7d917356b84914e63d385e66078a8d [0,2,0,1,0,0|0,0,0]=3 33612 B12R1.372 CC1CCOC1COCCCS 71c02d7be723374b2e8120d39d44fa98 [0,2,0,1,0,0|0,0,0]=3 33613 B12R1.372 CC1COCC1COCCCF ea55f9d6cf3872b73501bfb109f4e8ed [0,2,0,1,0,0|1,0,0]=4 33614 B12R1.372 CC1COCC1COCCCS 0190344aa1d18200e4e7f392e9e8fb1c [0,2,0,1,0,0|1,0,0]=4 33615 B12R1.372 CC1COCC1OCCCC#N 3d0cba52f24ee78159ce9a10d4d19f69 [0,2,0,1,0,0|0,0,1]=4 33616 B12R1.372 CC1COCC1OCCCC=O 1fc4d7a1d54ef47546aed90d3bb05e09 [0,2,0,1,0,0|0,0,1]=4 33617 B12R1.372 CC1COCC1OCCCCF a9af24c938edad722c2004db84ba03bb [0,2,0,1,0,0|0,0,0]=3 33618 B12R1.372 CC1SCCN1CCCCCF 2bc3b26860fd8adb8c6feb062baa9810 [0,2,0,1,0,0|1,0,0]=4 33619 B12R1.372 CC1SCCN1CCCCCO f54faf0fe057826dedf783d848004298 [0,2,0,1,0,0|1,0,0]=4 33620 B12R1.372 CCC#CCOC1CCCC1C 5e2b877fb838821ae85f8b2b6a7e9be0 [0,2,0,1,0,0|0,0,1]=4 33621 B12R1.372 CCC#CCOC1COCC1C 37cf706101f962e413ec45934c0b4823 [0,2,0,1,0,0|0,0,1]=4 33622 B12R1.372 CCC#CCO[C@@H]1CCC[C@@H]1C a639c5f18abd125ec6ffb915ff6dbe8c [0,2,0,1,0,0|0,0,1]=4 33623 B12R1.372 CCC#CCO[C@@H]1CCC[C@H]1C f26b6160e9ff67dcf4b5eb648be3a37c [0,2,0,1,0,0|0,0,1]=4 33624 B12R1.372 CCC#CCO[C@@H]1CCC[C@H]1F 23514ad99fae56e97f87cf2d4ab5c218 [0,2,0,1,0,0|0,0,1]=4 33625 B12R1.372 CCC#CCO[C@@H]1COC[C@@H]1C 4b288f0eb97b6cc4863b7b309b5121a4 [0,2,0,1,0,0|0,0,1]=4 33626 B12R1.372 CCC#CCO[C@H]1CCC[C@@H]1C 61f086465a47b78426d322e6563639e5 [0,2,0,1,0,0|0,0,1]=4 33627 B12R1.372 CCC#CCO[C@H]1CCC[C@H]1C d4969e8fe90601b3b23c2e855ce2072d [0,2,0,1,0,0|0,0,1]=4 33628 B12R1.372 CCC#CCO[C@H]1COC[C@@H]1C f9bba50ff7ff5a6253775077aa912e17 [0,2,0,1,0,0|0,0,1]=4 33629 B12R1.372 CCC#CCO[C@H]1COC[C@H]1C 92c7905b347b285940537ae4a266b8ac [0,2,0,1,0,0|0,0,1]=4 33630 B12R1.372 CCC/C=C/CN1CCCC1C dbdeb8367156658d4775a182bc99c82a [0,2,0,1,0,0|1,0,0]=4 33631 B12R1.372 CCC/C=C/CN1CCC[C@@H]1C 1ce63af16676a1dcdf6b1d18ba5de3ce [0,2,0,1,0,0|1,0,0]=4 33632 B12R1.372 CCC/C=C/CN1CCC[C@H]1C 89c1632a30568dbdad68486711fa1ae9 [0,2,0,1,0,0|1,0,0]=4 33633 B12R1.372 CCC/C=C\CN1CCCC1C b56b2cb418defdc0e8a9808ffbfca88f [0,2,0,1,0,0|1,0,0]=4 33634 B12R1.372 CCC/C=C\CN1CCC[C@@H]1C 2c6ef629a77e7e961e1e1fa50d2cb673 [0,2,0,1,0,0|1,0,0]=4 33635 B12R1.372 CCC/C=C\CN1CCC[C@H]1C 0a7fac5e2ea6f579d953c8bb0eac1176 [0,2,0,1,0,0|1,0,0]=4 33636 B12R1.372 CCCCCCN1CCCC1C 7571f56f01f43c077f9cdc88ca90bb82 [0,2,0,1,0,0|1,0,0]=4 33637 B12R1.372 CCCCCCN1CCCC1O f424e460d055ec4bd825050a88b4c382 [0,2,0,1,0,0|1,0,0]=4 33638 B12R1.372 CCCCCCN1CCC[C@@H]1C ba6312d9a3971d32340905c722901bda [0,2,0,1,0,0|1,0,0]=4 33639 B12R1.372 CCCCCCN1CCC[C@H]1C db72e092c2151508d1027df58203b53c [0,2,0,1,0,0|1,0,0]=4 33640 B12R1.372 CCCCCCN1CCSC1C cedbf369551ad1b96ac1209533f0f9bf [0,2,0,1,0,0|1,0,0]=4 33641 B12R1.372 CCCCCNC1CCCC1=O ee442f970f1fa1ee4a9db9391b24d53a [0,2,0,1,0,0|1,0,0]=4 33642 B12R1.372 CCCCCNC1CCCC1O b3899856f034228c9e1a5111e25d12f6 [0,2,0,1,0,0|1,0,0]=4 33643 B12R1.372 CCCCCNC1COCC1O eb07e980e5fadea3f95b527bd1a97c12 [0,2,0,1,0,0|1,0,0]=4 33644 B12R1.372 CCCCCN[C@@H]1CCC[C@@H]1O 658049b1ef77244cdae59ff4cbbc6d5a [0,2,0,1,0,0|1,0,0]=4 33645 B12R1.372 CCCCCN[C@@H]1CCC[C@H]1O d46b6a93e9134a7edd61c9da7ccc1d07 [0,2,0,1,0,0|1,0,0]=4 33646 B12R1.372 CCCCCN[C@@H]1COC[C@@H]1O 5338d3932fe7a8ed37fa11ea3cfe8ca8 [0,2,0,1,0,0|1,0,0]=4 33647 B12R1.372 CCCCCN[C@@H]1COC[C@H]1O 0d33e16512e42641890c655c354bbf49 [0,2,0,1,0,0|1,0,0]=4 33648 B12R1.372 CCCCCN[C@H]1CCC[C@@H]1O 7d51fc268cf43fe2f72a2ab57212b518 [0,2,0,1,0,0|1,0,0]=4 33649 B12R1.372 CCCCCN[C@H]1CCC[C@H]1O 2696c02590f8eeaeade4de87dc2e38d4 [0,2,0,1,0,0|1,0,0]=4 33650 B12R1.372 CCCCCN[C@H]1COC[C@@H]1O 507c1c7689cfaeeae3ac0b910a5a2a65 [0,2,0,1,0,0|1,0,0]=4 33651 B12R1.372 CCCCCN[C@H]1COC[C@H]1F e940abe70c83e670a57cc141bc141a14 [0,2,0,1,0,0|1,0,0]=4 33652 B12R1.372 CCCCCN[C@H]1COC[C@H]1O 4f9a1c695c860410e24b8fa3d9c15466 [0,2,0,1,0,0|1,0,0]=4 33653 B12R1.372 CCCCCOC1CCC=C1Br d79c0e67be185fbd013e5558933629af [0,2,0,1,0,0|0,0,1]=4 33654 B12R1.372 CCCCCOC1CCCC1=O 8a94f72c221bfb3778ff555968a511d0 [0,2,0,1,0,0|0,0,0]=3 33655 B12R1.372 CCCCCOC1CCCC1C e9926356ffb91878faea7ef4401d80b5 [0,2,0,1,0,0|0,0,0]=3 33656 B12R1.372 CCCCCOC1CCNC1=O a88bf4ea9896d6460f8e3bc84a5fbeb5 [0,2,0,1,0,0|0,0,1]=4 33657 B12R1.372 CCCCCOC1COCC1C e3fa440cecd9beea46a0611f7ca3742f [0,2,0,1,0,0|0,0,0]=3 33658 B12R1.372 CCCCCOC1COCC1F 74617c20063b3141be2dd2e6a79e6be4 [0,2,0,1,0,0|0,0,0]=3 33659 B12R1.372 CCCCCO[C@@H]1CCC[C@@H]1C 07b058795584511e06649a576d521942 [0,2,0,1,0,0|0,0,0]=3 33660 B12R1.372 CCCCCO[C@@H]1CCC[C@H]1C 70d737aa6bc468f185475de68e02881e [0,2,0,1,0,0|0,0,0]=3 33661 B12R1.372 CCCCCO[C@@H]1CCC[C@H]1F ea9818235061c43c1693a4e75e76d891 [0,2,0,1,0,0|0,0,0]=3 33662 B12R1.372 CCCCCO[C@@H]1CCNC1=O a980c3a66196f4b1dbcfcc5c360a295d [0,2,0,1,0,0|0,0,1]=4 33663 B12R1.372 CCCCCO[C@@H]1COC[C@@H]1C 60b9ec8504b748fb648968b63ed9f413 [0,2,0,1,0,0|0,0,0]=3 33664 B12R1.372 CCCCCO[C@@H]1COC[C@H]1F b7fc3abcd4b5103f0f67a76af4e263d5 [0,2,0,1,0,0|0,0,0]=3 33665 B12R1.372 CCCCCO[C@H]1CCC[C@@H]1C 7ef388797565a3807f2ac44cbdc20e74 [0,2,0,1,0,0|0,0,0]=3 33666 B12R1.372 CCCCCO[C@H]1CCC[C@H]1C 44ca27b5de0d9ad197903ac595038d02 [0,2,0,1,0,0|0,0,0]=3 33667 B12R1.372 CCCCCO[C@H]1CCNC1=O 1ed61ea4c0c0fefb63ad3eb8a029cd25 [0,2,0,1,0,0|0,0,1]=4 33668 B12R1.372 CCCCCO[C@H]1COC[C@@H]1C 226dec25e7327c3b4d6fdc82c8bd5000 [0,2,0,1,0,0|0,0,0]=3 33669 B12R1.372 CCCCCO[C@H]1COC[C@H]1C d33ebc93563fb6ede365228c55346599 [0,2,0,1,0,0|0,0,0]=3 33670 B12R1.372 CCCCCO[C@H]1COC[C@H]1F a8cc889f3e3227c55b40a2ca35e2b332 [0,2,0,1,0,0|0,0,0]=3 33671 B12R1.372 CCCCNCC1CCCC1O e43ba67c52b7992ed879cde67d5ddb84 [0,2,0,1,0,0|1,0,0]=4 33672 B12R1.372 CCCCNCC1CCCN1C 43c1c89714a6195d7ca8fdebe149f325 [0,2,0,1,0,0|1,0,0]=4 33673 B12R1.372 CCCCNCC1COCC1C b05e53c3770917b71df640c120e2737b [0,2,0,1,0,0|1,0,0]=4 33674 B12R1.372 CCCCNC[C@@H]1CCCN1C 7e030b4ddd9879ff325644a57cb2e6e7 [0,2,0,1,0,0|1,0,0]=4 33675 B12R1.372 CCCCNC[C@@H]1COC[C@@H]1O 31cd22e30b01758c48c816233883d3c0 [0,2,0,1,0,0|1,0,0]=4 33676 B12R1.372 CCCCNC[C@H]1CCCN1C a872f6aff9f67de4b197c101fd0c92f2 [0,2,0,1,0,0|1,0,0]=4 33677 B12R1.372 CCCCOCC1CCCC1=O 56225e28d37f7f94bad2272cfa718879 [0,2,0,1,0,0|0,0,0]=3 33678 B12R1.372 CCCCOCC1CCCC1C c5713e5e667c01516a88a6e56def8b7b [0,2,0,1,0,0|0,0,0]=3 33679 B12R1.372 CCCCOCC1CCCN1C 6c4fd3aaea5d374db6dfc6cd8717738b [0,2,0,1,0,0|0,0,0]=3 33680 B12R1.372 CCCCOCC1CCNC1=O eb1643d8e0010ad52ae0ef452ba55594 [0,2,0,1,0,0|0,0,1]=4 33681 B12R1.372 CCCCOCC1COCC1C a374962d83bfa920eb013f8507805aa7 [0,2,0,1,0,0|0,0,0]=3 33682 B12R1.372 CCCCOCC1OCCC1C 514c5cfb1215e4760e80f1adf84b6167 [0,2,0,1,0,0|0,0,0]=3 33683 B12R1.372 CCCCOCN1CCCC1=O 580af75aeeffe9cecf4715ca31375fb3 [0,2,0,1,0,0|0,0,1]=4 33684 B12R1.372 CCCCOCN1CCCC1C 4ac01e3e04e2f6346f6dfc5c284d9d41 [0,2,0,1,0,0|0,0,0]=3 33685 B12R1.372 CCCCOCN1CCCC1O 8031f96cb16b06e7e8974971ec7486a9 [0,2,0,1,0,0|0,0,0]=3 33686 B12R1.372 CCCCOCN1CCC[C@@H]1C c2d56d7e3d5fe034cff3ec9f767aca16 [0,2,0,1,0,0|0,0,0]=3 33687 B12R1.372 CCCCOCN1CCC[C@H]1C d407696d1406dc87512535d6c6b5d672 [0,2,0,1,0,0|0,0,0]=3 33688 B12R1.372 CCCCOCN1CCSC1C 8a421ea8839116756e0fc5c9319077e6 [0,2,0,1,0,0|0,0,0]=3 33689 B12R1.372 CCCCOC[C@@H]1CCCN1C 3337b56978847c8b5e7991fd2fa901ad [0,2,0,1,0,0|0,0,0]=3 33690 B12R1.372 CCCCOC[C@@H]1CCC[C@H]1F 968e0801a4fd321cd1bfedfdf620c4e5 [0,2,0,1,0,0|0,0,0]=3 33691 B12R1.372 CCCCOC[C@@H]1CCO[C@@H]1C 9474d6ada857b1a855e3265ebf033412 [0,2,0,1,0,0|0,0,0]=3 33692 B12R1.372 CCCCOC[C@H]1CCCN1C 9e484cc1a20014edf0061d15b3b2f3e9 [0,2,0,1,0,0|0,0,0]=3 33693 B12R1.372 CCCNCCC1CCCN1C 65c8274bf75dc1e84711edcd124a1d85 [0,2,0,1,0,0|1,0,0]=4 33694 B12R1.372 CCCNCC[C@@H]1CCCN1C 73f209db649cf00d4f22b3dfc7c4d9a4 [0,2,0,1,0,0|1,0,0]=4 33695 B12R1.372 CCCNCC[C@H]1CCCN1C 9dffc49f4c0cebc97015647cbc02c4da [0,2,0,1,0,0|1,0,0]=4 33696 B12R1.372 CCCOCCC1CCCN1C 11c380b07ffd9735e08665ace7b045ca [0,2,0,1,0,0|1,0,0]=4 33697 B12R1.372 CCCOCCN1CCCC1C 4ae05ea892421598cf78d1c9ace6b71b [0,2,0,1,0,0|1,0,0]=4 33698 B12R1.372 CCCOCCN1CCCC1O c94a9fd623a1f883c39ed543b07533b8 [0,2,0,1,0,0|1,0,0]=4 33699 B12R1.372 CCCOCCN1CCC[C@@H]1C 304d203c6d6405b5cbd0e28643a9b914 [0,2,0,1,0,0|1,0,0]=4 33700 B12R1.372 CCCOCCN1CCC[C@H]1C cf71eacd1cbd4b0e79644db82d5ca0bd [0,2,0,1,0,0|1,0,0]=4 33701 B12R1.372 CCCOCCN1CCSC1C f71f71edaf629acae46e6417ba45e69f [0,2,0,1,0,0|1,0,0]=4 33702 B12R1.372 CCCOCC[C@@H]1CCCN1C d80404505a8d554648c639a620b72fd3 [0,2,0,1,0,0|1,0,0]=4 33703 B12R1.372 CCCOCC[C@H]1CCCN1C 9d4c2f4ce8b3ccbc77e08ccf80c9829b [0,2,0,1,0,0|1,0,0]=4 33704 B12R1.372 CCOCCCN1CCCC1C 78cdb5c63d0c8cdb087b17349e25af6e [0,2,0,1,0,0|1,0,0]=4 33705 B12R1.372 CCOCCCN1CCCC1O 35106a6367bc9328e2eb63e39ea443bf [0,2,0,1,0,0|1,0,0]=4 33706 B12R1.372 CCOCCCN1CCC[C@@H]1C b7cb9ddfd5c49f3e04c92193caf398e8 [0,2,0,1,0,0|1,0,0]=4 33707 B12R1.372 CCOCCCN1CCC[C@H]1C af442838d9c2a5aacf7c84cad7cb87ad [0,2,0,1,0,0|1,0,0]=4 33708 B12R1.372 CCOCCCN1CCSC1C 3e5b7bb48a836d536c534bb60f4e99e6 [0,2,0,1,0,0|1,0,0]=4 33709 B12R1.372 CCOCCNC1CCCC1O 2d32d349393dfa76d60ee1b0072282e5 [0,2,0,1,0,0|1,0,0]=4 33710 B12R1.372 CCOCCN[C@@H]1CCC[C@@H]1O 341ac18d0586a033ad743ebcc118133e [0,2,0,1,0,0|1,0,0]=4 33711 B12R1.372 CCOCCN[C@@H]1CCC[C@H]1O 1d6857032168b0e59c308ac71c866620 [0,2,0,1,0,0|1,0,0]=4 33712 B12R1.372 CCOCCN[C@H]1CCC[C@@H]1O 80d57001f332c4c37b1242648a3f63ce [0,2,0,1,0,0|1,0,0]=4 33713 B12R1.372 CCOCCN[C@H]1CCC[C@H]1O 5382ebb7c31d5cf852f579c0ce703e70 [0,2,0,1,0,0|1,0,0]=4 33714 B12R1.372 CCOCCOC1CCCC1=O d125479d74b837a3643280d45d7c5c82 [0,2,0,1,0,0|0,0,1]=4 33715 B12R1.372 CCOCCOC1CCCC1C 9b6529c11f1f9637866236000e54c889 [0,2,0,1,0,0|0,0,0]=3 33716 B12R1.372 CCOCCOC1COCC1C 67f37b20e49e68d7c9dee8b15c7e842c [0,2,0,1,0,0|0,0,0]=3 33717 B12R1.372 CCOCCOC1COCC1F b1a69b2e9f95354c2dcf45a2cd4033da [0,2,0,1,0,0|1,0,0]=4 33718 B12R1.372 CCOCCO[C@@H]1CCC[C@@H]1C 77c1c5af61e13da716862ed6d740d298 [0,2,0,1,0,0|0,0,0]=3 33719 B12R1.372 CCOCCO[C@@H]1CCC[C@H]1C ac1357c14e96d68217934577a1bfc8fb [0,2,0,1,0,0|0,0,0]=3 33720 B12R1.372 CCOCCO[C@@H]1CCC[C@H]1F 664fb96aff49ef164e76616a28b6cfc5 [0,2,0,1,0,0|0,0,0]=3 33721 B12R1.372 CCOCCO[C@@H]1COC[C@@H]1C 317067d537ae3f49626920d9561e476f [0,2,0,1,0,0|0,0,0]=3 33722 B12R1.372 CCOCCO[C@@H]1COC[C@H]1F 8fc6434d5e1d23a8f986dae586adbbf0 [0,2,0,1,0,0|1,0,0]=4 33723 B12R1.372 CCOCCO[C@H]1CCC[C@@H]1C 35977eb86aa2225c99faef6e123d6701 [0,2,0,1,0,0|0,0,0]=3 33724 B12R1.372 CCOCCO[C@H]1CCC[C@H]1C c5b8fcf44d0d726cd0d46873cff6c33b [0,2,0,1,0,0|0,0,0]=3 33725 B12R1.372 CCOCCO[C@H]1COC[C@@H]1C 6efb55b59512a3243a27b31bcfd8a2a6 [0,2,0,1,0,0|0,0,0]=3 33726 B12R1.372 CCOCCO[C@H]1COC[C@H]1C 22f7660c5a4eb9ecaf139326225e4b8c [0,2,0,1,0,0|0,0,0]=3 33727 B12R1.372 CCOCCO[C@H]1COC[C@H]1F 8c85fc1f217bd6ecbd53d4a83d462a74 [0,2,0,1,0,0|1,0,0]=4 33728 B12R1.372 CCOCOCC1CCCC1=O 01dde0e5f84b13c22dc68589cf880004 [0,2,0,1,0,0|1,0,0]=4 33729 B12R1.372 CCOCOCC1CCCC1C 096bd69331892640971ce499ea755b31 [0,2,0,1,0,0|1,0,0]=4 33730 B12R1.372 CCOCOCC1CCCN1C 615ab758f8e3ee041184b50539d4a929 [0,2,0,1,0,0|1,0,0]=4 33731 B12R1.372 CCOCOCC1COCC1C 80e98db1a7043f6ef6af9dc9e147e81a [0,2,0,1,0,0|1,0,0]=4 33732 B12R1.372 CCOCOCC1OCCC1C 1f280946853ed059b98c5ec859229d53 [0,2,0,1,0,0|0,0,0]=3 33733 B12R1.372 CCOCOC[C@@H]1CCCN1C f9657e9b397300dbd3c52aa1a8b988eb [0,2,0,1,0,0|1,0,0]=4 33734 B12R1.372 CCOCOC[C@@H]1CCC[C@H]1F 1847933e8e00330581f93cfca8aa8788 [0,2,0,1,0,0|1,0,0]=4 33735 B12R1.372 CCOCOC[C@@H]1CCO[C@@H]1C c11d3f40655a09dbbbd0c0fab38c15d0 [0,2,0,1,0,0|1,0,0]=4 33736 B12R1.372 CCOCOC[C@H]1CCCN1C 13a83d4033d2da10b677263b4604c4da [0,2,0,1,0,0|1,0,0]=4 33737 B12R1.372 CCSCCCN1CCCC1C 36de80995e611200c9ba8928986dc419 [0,2,0,1,0,0|1,0,0]=4 33738 B12R1.372 CCSCCCN1CCCC1O 85f212d1dc2fe708a3be346c5fd643de [0,2,0,1,0,0|1,0,0]=4 33739 B12R1.372 CCSCCCN1CCC[C@@H]1C a1b341b44162463356baa53d5d136f19 [0,2,0,1,0,0|1,0,0]=4 33740 B12R1.372 CCSCCCN1CCC[C@H]1C 5e7d11bd150293414353d8f6e959a8e5 [0,2,0,1,0,0|1,0,0]=4 33741 B12R1.372 CCSCCNC1CCCC1O 2d7637e01e4d933f259f8a5e84aa803c [0,2,0,1,0,0|1,0,0]=4 33742 B12R1.372 CCSCCN[C@@H]1CCC[C@@H]1O 3701e046cdb74ebe8186a4c4d81f338c [0,2,0,1,0,0|1,0,0]=4 33743 B12R1.372 CCSCCN[C@@H]1CCC[C@H]1O 839b3a7ad41436f1adc0a8228aa26831 [0,2,0,1,0,0|1,0,0]=4 33744 B12R1.372 CCSCCN[C@H]1CCC[C@@H]1O 0d9a990ff683abb026af1c04430bcdd7 [0,2,0,1,0,0|1,0,0]=4 33745 B12R1.372 CCSCCN[C@H]1CCC[C@H]1O 0e5da1f543a799bc53f05e41c9fdfd26 [0,2,0,1,0,0|1,0,0]=4 33746 B12R1.372 CCSCCOC1CCCC1=O 22337a27a9a12bba96ad7c59eb5b046f [0,2,0,1,0,0|0,0,1]=4 33747 B12R1.372 CCSCCOC1CCCC1C cc6520a28ae7f5b4b5dbfcabbf883180 [0,2,0,1,0,0|0,0,0]=3 33748 B12R1.372 CCSCCOC1COCC1C 95c3d3365bbf21b5a53d99f1e57809e0 [0,2,0,1,0,0|0,0,0]=3 33749 B12R1.372 CCSCCOC1COCC1F d2fd18cabfacbc41cee5655015353111 [0,2,0,1,0,0|1,0,0]=4 33750 B12R1.372 CCSCCO[C@@H]1CCC[C@@H]1C 8b5e6c9ed19559e598cfc90997413bf6 [0,2,0,1,0,0|0,0,0]=3 33751 B12R1.372 CCSCCO[C@@H]1CCC[C@H]1C d95554027df5b12bbe6786ce21bebb0a [0,2,0,1,0,0|0,0,0]=3 33752 B12R1.372 CCSCCO[C@@H]1CCC[C@H]1F ff54bbe3b01b6d490e3ed0e85220d21e [0,2,0,1,0,0|0,0,0]=3 33753 B12R1.372 CCSCCO[C@@H]1COC[C@@H]1C 0688eeb3620c5ac22af53ff4f70eb476 [0,2,0,1,0,0|0,0,0]=3 33754 B12R1.372 CCSCCO[C@@H]1COC[C@H]1F d9a4e698fed3fd61576ede3c0b88d5fa [0,2,0,1,0,0|1,0,0]=4 33755 B12R1.372 CCSCCO[C@H]1CCC[C@@H]1C 47a9d0deb6555b64536bd0f3a5cb7abd [0,2,0,1,0,0|0,0,0]=3 33756 B12R1.372 CCSCCO[C@H]1CCC[C@H]1C 41b98eabacd6593e46f489c2e8890f6d [0,2,0,1,0,0|0,0,0]=3 33757 B12R1.372 CCSCCO[C@H]1COC[C@@H]1C 2f2bfb089b3b680d92d890be64561ff6 [0,2,0,1,0,0|0,0,0]=3 33758 B12R1.372 CCSCCO[C@H]1COC[C@H]1C f86f1d6b7dfdea4bd0770a7bc3152d9a [0,2,0,1,0,0|0,0,0]=3 33759 B12R1.372 CCSCCO[C@H]1COC[C@H]1F 2ae6bafd16cb85b1027c4fcc6944c7ac [0,2,0,1,0,0|1,0,0]=4 33760 B12R1.372 CN1CCCC1COCCCF 7fa668e0f0e7f7f2ff99eafbfcd01d9e [0,2,0,1,0,0|1,0,0]=4 33761 B12R1.372 CN1CCCC1COCCCS c508a2dbfbdbb0e7d573aa432798aba4 [0,2,0,1,0,0|1,0,0]=4 33762 B12R1.372 CN1CCC[C@@H]1COCCCF 352ea6a36b374ac80dbb94a33efbb27c [0,2,0,1,0,0|1,0,0]=4 33763 B12R1.372 CN1CCC[C@@H]1COCCCS ddc746f6c8b665f08a3fe3b1c246ab74 [0,2,0,1,0,0|1,0,0]=4 33764 B12R1.372 CN1CCC[C@H]1COCCCF 683f287ef353184152b5da714554c658 [0,2,0,1,0,0|1,0,0]=4 33765 B12R1.372 CN1CCC[C@H]1COCCCS d0a9499e139da0ad6149a1b9c83c6bdd [0,2,0,1,0,0|1,0,0]=4 33766 B12R1.372 COCCCCN1CCCC1C 6d90e913b1244e6b10f5e6f78033e5fa [0,2,0,1,0,0|1,0,0]=4 33767 B12R1.372 COCCCCN1CCCC1O 8e9e1558f39189fc3aa714f82f1bb93c [0,2,0,1,0,0|1,0,0]=4 33768 B12R1.372 COCCCCN1CCC[C@@H]1C f09b09c593fb88571a63c5bee705d00b [0,2,0,1,0,0|1,0,0]=4 33769 B12R1.372 COCCCCN1CCC[C@H]1C fcd05350b50bcac12d0d427335f735cd [0,2,0,1,0,0|1,0,0]=4 33770 B12R1.372 COCCCCN1CCSC1C 2df51ce2f293e01010d4ebe85b6141ec [0,2,0,1,0,0|1,0,0]=4 33771 B12R1.372 COCCCNC1CCCC1O 46371d4fe85816e06344396b431e5022 [0,2,0,1,0,0|1,0,0]=4 33772 B12R1.372 COCCCN[C@@H]1CCC[C@@H]1O d69d984ee20dbe393e75593fd85ae3d9 [0,2,0,1,0,0|1,0,0]=4 33773 B12R1.372 COCCCN[C@@H]1CCC[C@H]1O 1847c87b4266b53e00059c160c2e8679 [0,2,0,1,0,0|1,0,0]=4 33774 B12R1.372 COCCCN[C@H]1CCC[C@@H]1O e3e50492f1f36001b98a14e6e06bb58b [0,2,0,1,0,0|1,0,0]=4 33775 B12R1.372 COCCCN[C@H]1CCC[C@H]1O feee3f231e06edcc8364fec1db7e6e28 [0,2,0,1,0,0|1,0,0]=4 33776 B12R1.372 COCCCOC1CCCC1=O 34d0e8a582a1ed1d985e8a2d5f75f0fd [0,2,0,1,0,0|0,0,1]=4 33777 B12R1.372 COCCCOC1CCCC1C 3593d807075c1cfdb4973cb787ea82a4 [0,2,0,1,0,0|0,0,0]=3 33778 B12R1.372 COCCCOC1COCC1C 0a6b877518172a6da0beabbc70c20bd7 [0,2,0,1,0,0|0,0,0]=3 33779 B12R1.372 COCCCOC1COCC1F 67a18581e371759f529d2b152cc21d41 [0,2,0,1,0,0|1,0,0]=4 33780 B12R1.372 COCCCO[C@@H]1CCC[C@@H]1C 6f611c7d89a94d6085b8f360f4f84702 [0,2,0,1,0,0|0,0,0]=3 33781 B12R1.372 COCCCO[C@@H]1CCC[C@H]1C 9db60758336350c2cc1d640db599e2a5 [0,2,0,1,0,0|0,0,0]=3 33782 B12R1.372 COCCCO[C@@H]1CCC[C@H]1F f0327fcce4252b64a30b77ee302bfca8 [0,2,0,1,0,0|0,0,0]=3 33783 B12R1.372 COCCCO[C@@H]1COC[C@@H]1C 01b61f81fdde2091b3309dcfb59eca06 [0,2,0,1,0,0|0,0,0]=3 33784 B12R1.372 COCCCO[C@@H]1COC[C@H]1F abc99e501e524a5eaceaec70fa283199 [0,2,0,1,0,0|1,0,0]=4 33785 B12R1.372 COCCCO[C@H]1CCC[C@@H]1C d42800213dc2f6a7b9944158fe8adee7 [0,2,0,1,0,0|0,0,0]=3 33786 B12R1.372 COCCCO[C@H]1CCC[C@H]1C 7c7b2075f5c7e49c05ef463e1752affd [0,2,0,1,0,0|0,0,0]=3 33787 B12R1.372 COCCCO[C@H]1COC[C@@H]1C 91ca54f82eac4ae1738726f7d510af25 [0,2,0,1,0,0|0,0,0]=3 33788 B12R1.372 COCCCO[C@H]1COC[C@H]1C 2fa3dc098fbb408904699b4f3bd6974c [0,2,0,1,0,0|0,0,0]=3 33789 B12R1.372 COCCCO[C@H]1COC[C@H]1F a6b07b4783e5b3b4a2109e3e26f29784 [0,2,0,1,0,0|1,0,0]=4 33790 B12R1.372 COCCOCC1CCCC1=O 3bf01d1567b29d97d5c85c76ead134e4 [0,2,0,1,0,0|1,0,0]=4 33791 B12R1.372 COCCOCC1CCCC1C e7fba9ed0301af14da7dd0331baca8d0 [0,2,0,1,0,0|1,0,0]=4 33792 B12R1.372 COCCOCC1CCCN1C 736ae88fb2df7592857970d9f7003683 [0,2,0,1,0,0|1,0,0]=4 33793 B12R1.372 COCCOCC1COCC1C 45c384a71e6dd4b57b17f51704e3ad84 [0,2,0,1,0,0|1,0,0]=4 33794 B12R1.372 COCCOCC1OCCC1C 1967d191320df82c7fec79e32a641724 [0,2,0,1,0,0|0,0,0]=3 33795 B12R1.372 COCCOCN1CCCC1C 46c53f4b8eb0534a0f8b13f177b2c9ee [0,2,0,1,0,0|1,0,0]=4 33796 B12R1.372 COCCOCN1CCCC1O c3563d6202178afc953f4af50d45aefe [0,2,0,1,0,0|1,0,0]=4 33797 B12R1.372 COCCOCN1CCC[C@@H]1C 543eb6fcd1e806a0dd763370f8047afa [0,2,0,1,0,0|1,0,0]=4 33798 B12R1.372 COCCOCN1CCC[C@H]1C 7d4240b332f28f429ed664eba0e4dc5a [0,2,0,1,0,0|1,0,0]=4 33799 B12R1.372 COCCOCN1CCSC1C d4902585d9c10934508b1e79d19e7b29 [0,2,0,1,0,0|1,0,0]=4 33800 B12R1.372 COCCOC[C@@H]1CCCN1C d154220ab8a7f49546c4134ce7b32da8 [0,2,0,1,0,0|1,0,0]=4 33801 B12R1.372 COCCOC[C@@H]1CCC[C@H]1F 6818d976c24973f25c2c9396e1dc816a [0,2,0,1,0,0|1,0,0]=4 33802 B12R1.372 COCCOC[C@@H]1CCO[C@@H]1C 3ae425aea1100114cc422a50e27e78bc [0,2,0,1,0,0|1,0,0]=4 33803 B12R1.372 COCCOC[C@H]1CCCN1C 02eb9554f4c207f0fb0fb6dfd7a31f43 [0,2,0,1,0,0|1,0,0]=4 33804 B12R1.372 COCOCCN1CCCC1C 6f10ee8c7161bee3ab498d5206e23e48 [0,2,0,1,0,0|1,0,0]=4 33805 B12R1.372 COCOCCN1CCC[C@@H]1C cc912e6ffff370072da8f2a18ecf6761 [0,2,0,1,0,0|1,0,0]=4 33806 B12R1.372 COCOCCN1CCC[C@H]1C 55eed7737a5161feee518cf0afa23208 [0,2,0,1,0,0|1,0,0]=4 33807 B12R1.372 CSCCCNC1CCCC1O 52c186c7ce66e2d96d6dc8a0e781543a [0,2,0,1,0,0|1,0,0]=4 33808 B12R1.372 CSCCCN[C@@H]1CCC[C@@H]1O bff9c59bc4fb8091732068b019f79390 [0,2,0,1,0,0|1,0,0]=4 33809 B12R1.372 CSCCCN[C@@H]1CCC[C@H]1O 81d38019071627e944ddefab9f6f30cc [0,2,0,1,0,0|1,0,0]=4 33810 B12R1.372 CSCCCN[C@H]1CCC[C@@H]1O 8d27d2aa3e2048f8073723b0ca7615f3 [0,2,0,1,0,0|1,0,0]=4 33811 B12R1.372 CSCCCN[C@H]1CCC[C@H]1O fe0bb16338723025293ce66f2f8ece2e [0,2,0,1,0,0|1,0,0]=4 33812 B12R1.372 CSCCCOC1CCCC1=O 1ff07198924dce1ed7eea01d7ce2b64a [0,2,0,1,0,0|0,0,1]=4 33813 B12R1.372 CSCCCOC1CCCC1C 05256b7fe3aad13e6bfe69db7ed53377 [0,2,0,1,0,0|0,0,0]=3 33814 B12R1.372 CSCCCOC1COCC1C 3f4b16a3f5fa4bc73dab71b52f40eeab [0,2,0,1,0,0|0,0,0]=3 33815 B12R1.372 CSCCCOC1COCC1F 0794d556dc68c19d1dbd3f173940a0fc [0,2,0,1,0,0|1,0,0]=4 33816 B12R1.372 CSCCCO[C@@H]1CCC[C@@H]1C 4be05c820b1604d08e99e7be660db1db [0,2,0,1,0,0|0,0,0]=3 33817 B12R1.372 CSCCCO[C@@H]1CCC[C@H]1C 65ce3bcf7149d2fc2b65e5762066d52e [0,2,0,1,0,0|0,0,0]=3 33818 B12R1.372 CSCCCO[C@@H]1CCC[C@H]1F 58cec454d3f19772288e08f042f3cd61 [0,2,0,1,0,0|0,0,0]=3 33819 B12R1.372 CSCCCO[C@@H]1COC[C@@H]1C bc9fa6f4d5d8ef51cb987cd0cfd21f5c [0,2,0,1,0,0|0,0,0]=3 33820 B12R1.372 CSCCCO[C@@H]1COC[C@H]1F 122759389efc06222d1207c51802486a [0,2,0,1,0,0|1,0,0]=4 33821 B12R1.372 CSCCCO[C@H]1CCC[C@@H]1C cdb8c03193defe51f56ead366cb3f8c8 [0,2,0,1,0,0|0,0,0]=3 33822 B12R1.372 CSCCCO[C@H]1CCC[C@H]1C 248fedc9c216c3225ddceeb2635e220f [0,2,0,1,0,0|0,0,0]=3 33823 B12R1.372 CSCCCO[C@H]1COC[C@@H]1C 7843252cc69a7d6cd3a6c2c335cd38ba [0,2,0,1,0,0|0,0,0]=3 33824 B12R1.372 CSCCCO[C@H]1COC[C@H]1C 6ec28d29d4ba1335e72be2b9ea052886 [0,2,0,1,0,0|0,0,0]=3 33825 B12R1.372 CSCCCO[C@H]1COC[C@H]1F 768e3e97fc2673959a48141d96a38dc7 [0,2,0,1,0,0|1,0,0]=4 33826 B12R1.372 CSCCOCC1CCCC1=O f09eb6c11c761ed831ee3036ba66ec54 [0,2,0,1,0,0|1,0,0]=4 33827 B12R1.372 CSCCOCC1CCCC1C 671f84b561ec243dc182d4f70231ee11 [0,2,0,1,0,0|1,0,0]=4 33828 B12R1.372 CSCCOCC1CCCN1C 801e9291faaf0157ed284395c01ffbdb [0,2,0,1,0,0|1,0,0]=4 33829 B12R1.372 CSCCOCC1COCC1C f82fe5aba8b8bd010d78706da39d79de [0,2,0,1,0,0|1,0,0]=4 33830 B12R1.372 CSCCOCC1OCCC1C cb2285e692c47dcdf23d0fbafedcc898 [0,2,0,1,0,0|0,0,0]=3 33831 B12R1.372 CSCCOC[C@@H]1CCCN1C 8b3c68510e91c0a84b9cb8ca606ef720 [0,2,0,1,0,0|1,0,0]=4 33832 B12R1.372 CSCCOC[C@@H]1CCC[C@H]1F b004ebbbddda1898bcc312f9e33e37ef [0,2,0,1,0,0|1,0,0]=4 33833 B12R1.372 CSCCOC[C@@H]1CCO[C@@H]1C 53c9319380a3ac88a5cbbc2e029b4e7d [0,2,0,1,0,0|1,0,0]=4 33834 B12R1.372 CSCCOC[C@H]1CCCN1C 2c0e9814f8cdef08838523e3abb35752 [0,2,0,1,0,0|1,0,0]=4 33835 B12R1.372 C[C@@H]1CCCN1CCCCC#N 6bd0bf7bea02800a95926dba3507eebc [0,2,0,1,0,0|1,0,0]=4 33836 B12R1.372 C[C@@H]1CCCN1CCCCC=O 1851ce6dab74e79a48720bded35612af [0,2,0,1,0,0|1,0,0]=4 33837 B12R1.372 C[C@@H]1CCCN1CCCCCF 4d6a509a3b6c47b486fbd16dd2230e8c [0,2,0,1,0,0|1,0,0]=4 33838 B12R1.372 C[C@@H]1CCCN1CCCCCO 71f82e52b620bcc5f3b9dfac7e97eba2 [0,2,0,1,0,0|1,0,0]=4 33839 B12R1.372 C[C@@H]1CCCN1CCCCON da1f3d3d0e170cd75c5060d4b499afba [0,2,0,1,0,0|1,0,0]=4 33840 B12R1.372 C[C@@H]1CCCN1CCOCCO 582efff553829bb2dcaf66e2d6c86934 [0,2,0,1,0,0|1,0,0]=4 33841 B12R1.372 C[C@@H]1CCC[C@@H]1OCCCC#N 35925cf0f0aab0717b1d5a1a45762f96 [0,2,0,1,0,0|0,0,1]=4 33842 B12R1.372 C[C@@H]1CCC[C@@H]1OCCCC=O 258e2b86aff83841af0b7983cf52ba1f [0,2,0,1,0,0|0,0,1]=4 33843 B12R1.372 C[C@@H]1CCC[C@@H]1OCCCCF e91026c876c84f79fbb0e0c2caf7278c [0,2,0,1,0,0|0,0,0]=3 33844 B12R1.372 C[C@@H]1CCC[C@H]1OCCCC#N a40306b1536eb39ffd0719e935fa9763 [0,2,0,1,0,0|0,0,1]=4 33845 B12R1.372 C[C@@H]1CCC[C@H]1OCCCC=O 3caf648bf148025878acdd8f25d73b21 [0,2,0,1,0,0|0,0,1]=4 33846 B12R1.372 C[C@@H]1CCC[C@H]1OCCCCF 7e3b53edb39450232ad601ee65264096 [0,2,0,1,0,0|0,0,0]=3 33847 B12R1.372 C[C@@H]1COC[C@@H]1OCCCC#N 5ed69da550a47fa5cc92e1eedfcff0d7 [0,2,0,1,0,0|0,0,1]=4 33848 B12R1.372 C[C@@H]1COC[C@@H]1OCCCC=O c6cf481450bb6ce68aff8f4eb8fd2602 [0,2,0,1,0,0|0,0,1]=4 33849 B12R1.372 C[C@@H]1COC[C@@H]1OCCCCF 9588871d4e156c61adcba18ddf1e02dd [0,2,0,1,0,0|0,0,0]=3 33850 B12R1.372 C[C@H]1CCCN1CCCCC#N b5714d85ce6bfe611a7b602a782a62af [0,2,0,1,0,0|1,0,0]=4 33851 B12R1.372 C[C@H]1CCCN1CCCCC=O 41c24ffd793532f9a3f92bd96ae7324d [0,2,0,1,0,0|1,0,0]=4 33852 B12R1.372 C[C@H]1CCCN1CCCCCF 8539ec78dd6f81ece48e88839002e2e9 [0,2,0,1,0,0|1,0,0]=4 33853 B12R1.372 C[C@H]1CCCN1CCCCCO feea90d77a42fa3dce5ce8acf6332b91 [0,2,0,1,0,0|1,0,0]=4 33854 B12R1.372 C[C@H]1CCCN1CCCCON 1f157ed4a483dd001e85b28ea85a4c16 [0,2,0,1,0,0|1,0,0]=4 33855 B12R1.372 C[C@H]1CCCN1CCOCCO 9f9a1034950a45fafc50ccc41a150f4a [0,2,0,1,0,0|1,0,0]=4 33856 B12R1.372 C[C@H]1CCC[C@@H]1OCCCC#N e604b9286c8659b97ada7ef2e7529300 [0,2,0,1,0,0|0,0,1]=4 33857 B12R1.372 C[C@H]1CCC[C@@H]1OCCCC=O 934874c76adb3b2366f9bc1b8066bddd [0,2,0,1,0,0|0,0,1]=4 33858 B12R1.372 C[C@H]1CCC[C@@H]1OCCCCF 32c0ec3afa4e9e8adea79ee4af6cc103 [0,2,0,1,0,0|0,0,0]=3 33859 B12R1.372 C[C@H]1CCC[C@H]1OCCCC#N e60ddadcee62f7d0304a88aba6e04d65 [0,2,0,1,0,0|0,0,1]=4 33860 B12R1.372 C[C@H]1CCC[C@H]1OCCCC=O 47ea79303dcc8a901e77f2f132334236 [0,2,0,1,0,0|0,0,1]=4 33861 B12R1.372 C[C@H]1CCC[C@H]1OCCCCF b8e0674ccac4baf064b9418d88adac91 [0,2,0,1,0,0|0,0,0]=3 33862 B12R1.372 C[C@H]1COC[C@@H]1OCCCC#N fc6e11e6524fb0f39bb45ecedf858434 [0,2,0,1,0,0|0,0,1]=4 33863 B12R1.372 C[C@H]1COC[C@@H]1OCCCC=O 417ce72b85ad1ed4575cc444cec426f2 [0,2,0,1,0,0|0,0,1]=4 33864 B12R1.372 C[C@H]1COC[C@@H]1OCCCCF 74576ad1fc9dc5ed0f122977b25fffdb [0,2,0,1,0,0|0,0,0]=3 33865 B12R1.372 C[C@H]1COC[C@H]1OCCCC#N fbb6142ef579333df9dc9f524089d3da [0,2,0,1,0,0|0,0,1]=4 33866 B12R1.372 C[C@H]1COC[C@H]1OCCCC=O db743d67285f150c52488bf2e595a8ed [0,2,0,1,0,0|0,0,1]=4 33867 B12R1.372 C[C@H]1COC[C@H]1OCCCCF 72b899e010eed337a73c125ba525053c [0,2,0,1,0,0|0,0,0]=3 33868 B12R1.372 C[C@H]1OCC[C@H]1COCCCF c644848b278616e30de6f89864f619dc [0,2,0,1,0,0|1,0,0]=4 33869 B12R1.372 C[C@H]1OCC[C@H]1COCCCS f6177330c5577a2c8f4c832843d5c129 [0,2,0,1,0,0|1,0,0]=4 33870 B12R1.372 FCCCCOC1COCC1F 55278a5716443be6cc46e30565ff3dda [0,2,0,1,0,0|1,0,0]=4 33871 B12R1.372 FCCCCO[C@@H]1CCC[C@H]1F c77511fac98ff5b1e7d5b12d9ef23866 [0,2,0,1,0,0|0,0,0]=3 33872 B12R1.372 FCCCCO[C@@H]1COC[C@H]1F 4ba30b1a86ee97d95354792a1b169a80 [0,2,0,1,0,0|1,0,0]=4 33873 B12R1.372 FCCCCO[C@H]1COC[C@H]1F 8824befe97cc72f68f6042a64cd3e78d [0,2,0,1,0,0|1,0,0]=4 33874 B12R1.372 FCCCOC[C@@H]1CCC[C@H]1F 78705acf31510abe9727e5ba06c3e45c [0,2,0,1,0,0|1,0,0]=4 33875 B12R1.372 F[C@@H]1CCC[C@H]1COCCCS 5e3eee00012fbcec056b4690f22ca5f3 [0,2,0,1,0,0|1,0,0]=4 33876 B12R1.372 N#CCCCO[C@@H]1CCC[C@H]1F b0bff55d04d0e79e7f55f87812401618 [0,2,0,1,0,0|0,0,1]=4 33877 B12R1.372 O=C1CCCC1COCCCF 4dfe15b582532d815351c110d587afec [0,2,0,1,0,0|1,0,0]=4 33878 B12R1.372 O=C1CCCC1COCCCS 68c99b9bdff22eb14860db41a4adc0b5 [0,2,0,1,0,0|1,0,0]=4 33879 B12R1.372 O=C1CCCC1OCCCCF 4f81d63044fc9c752ffcf2783f878862 [0,2,0,1,0,0|0,0,1]=4 33880 B12R1.372 O=C1CCCC1OCCCCS 0fccd70f083bcb9daf5e1bee5f1e8dc0 [0,2,0,1,0,0|0,0,1]=4 33881 B12R1.372 O=CCCCO[C@@H]1CCC[C@H]1F f51296db7cd5a0b35f88218a8743a201 [0,2,0,1,0,0|0,0,1]=4 33882 B12R1.372 OC1CCCC1NCCCCCl cc22aeb78f64cd3bb9001bc4aee6bce3 [0,2,0,1,0,0|1,0,0]=4 33883 B12R1.372 OC1CCCC1NCCCCF 539b734b30bc6c252d579361f239fa10 [0,2,0,1,0,0|1,0,0]=4 33884 B12R1.372 OC1CCCC1NCCCCS 7ea3e6cb9fa67b8f808ee86ddd6884d6 [0,2,0,1,0,0|1,0,0]=4 33885 B12R1.372 OC1CCCN1CCCCCF d80f56c24456f291e6d8b4e35713ae87 [0,2,0,1,0,0|1,0,0]=4 33886 B12R1.372 OCCCCCN1CCCC1O ad641ac27f6ae4f84ffd02869b0c7234 [0,2,0,1,0,0|1,0,0]=4 33887 B12R1.372 OCCCCNC1CCCC1O b0f8d8b2892ad639eccda68f57d360d8 [0,2,0,1,0,0|1,0,0]=4 33888 B12R1.372 OCCCCN[C@@H]1CCC[C@@H]1O 1bc4a7b518d6294b0201fb97e2540b75 [0,2,0,1,0,0|1,0,0]=4 33889 B12R1.372 OCCCCN[C@@H]1CCC[C@H]1O bd3ddc86d905f71e268724177ac4df93 [0,2,0,1,0,0|1,0,0]=4 33890 B12R1.372 OCCCCN[C@H]1CCC[C@@H]1O 4a12971390fee4848f06472274a62425 [0,2,0,1,0,0|1,0,0]=4 33891 B12R1.372 OCCCCN[C@H]1CCC[C@H]1O de46e6a7aed61afab7dd2282e2cf7bbd [0,2,0,1,0,0|1,0,0]=4 33892 B12R1.372 O[C@@H]1CCC[C@@H]1NCCCCF 7b892b1a6eb3b82afb113738912e719a [0,2,0,1,0,0|1,0,0]=4 33893 B12R1.372 O[C@@H]1CCC[C@H]1NCCCCCl 5cec6cef1d029da39f9dea6a7cb2cf85 [0,2,0,1,0,0|1,0,0]=4 33894 B12R1.372 O[C@@H]1CCC[C@H]1NCCCCF 99a44489f3e288121b60ce880fbade33 [0,2,0,1,0,0|1,0,0]=4 33895 B12R1.372 O[C@@H]1CCC[C@H]1NCCCCS c5658607166cf2fda43e4cdd24a5d4a9 [0,2,0,1,0,0|1,0,0]=4 33896 B12R1.372 O[C@H]1CCC[C@@H]1NCCCCCl 8f69d2bcf1f1e3b77ce7f8e9579f17dc [0,2,0,1,0,0|1,0,0]=4 33897 B12R1.372 O[C@H]1CCC[C@@H]1NCCCCF f2fb632ca4ab8b28dbfb06d0195fd8cd [0,2,0,1,0,0|1,0,0]=4 33898 B12R1.372 O[C@H]1CCC[C@@H]1NCCCCS dd5e75c3e44c376c8e59e752a9c01a69 [0,2,0,1,0,0|1,0,0]=4 33899 B12R1.372 O[C@H]1CCC[C@H]1NCCCCF 08bc2150dd983c3981b415bb99ebfd8b [0,2,0,1,0,0|1,0,0]=4 33900 B12R1.454 C#C[C@H]1C[C@H]1COCCCCC ff1e0e53dc5780308aca872bed620c6b [0,2,0,1,0,0|0,0,0]=3 33901 B12R1.454 C#C[C@H]1C[C@H]1COCCCCF 1e1d9225f5bba4c29d617fae1dc17b16 [0,2,0,1,0,0|0,0,1]=4 33902 B12R1.454 C#C[C@H]1C[C@H]1COCCCOC 381f6f7839a610eb83f66aca9876f510 [0,2,0,1,0,0|0,0,1]=4 33903 B12R1.454 C#C[C@H]1C[C@H]1COCCCSC d6bf8685e081a3b9f90ebfccf93f4909 [0,2,0,1,0,0|0,0,1]=4 33904 B12R1.454 C#C[C@H]1C[C@H]1COCCOCC b7beef773d3f86e779532289d3ba98fa [0,2,0,1,0,0|0,0,1]=4 33905 B12R1.454 C#C[C@H]1C[C@H]1COCCSCC 11980cefbe6ee06896e6bb0f52f22d3b [0,2,0,1,0,0|0,0,1]=4 33906 B12R1.454 CCCCCCN[C@@H]1C[C@@H]1OC d76baeeaeaf594098c785abb2a2e86f5 [0,2,0,1,0,0|1,0,0]=4 33907 B12R1.454 CCCCCCN[C@@H]1C[C@H]1CO 6c7c66d904c45343eeff081b03cd8d06 [0,2,0,1,0,0|1,0,0]=4 33908 B12R1.454 CCCCCCN[C@H]1C[C@@H]1CO 2bb38673c37f4efd9d078092f26d3e92 [0,2,0,1,0,0|1,0,0]=4 33909 B12R1.454 CCCCCCN[C@H]1C[C@H]1CO 84df3c37bd7f888d5a9b93794a1cd775 [0,2,0,1,0,0|1,0,0]=4 33910 B12R1.454 CCCCCCOC1CC1C=O 71d1296fc0bca571ec081696e530806f [0,2,0,1,0,0|0,0,1]=4 33911 B12R1.454 CCCCCNCC1CC1CO 4f772dad06365ffafbd9057d83860c24 [0,2,0,1,0,0|1,0,0]=4 33912 B12R1.454 CCCCCOCC1CC1C#N 4dc5acebb67cd8fc29e0124287a6a3e0 [0,2,0,1,0,0|0,0,0]=3 33913 B12R1.454 CCCCOCN[C@@H]1C[C@@H]1OC b36e23c6588f06c26effec14a84b3031 [0,2,0,1,0,0|0,0,0]=3 33914 B12R1.454 CCCCOCN[C@@H]1C[C@H]1CO 099a43792809d19fa27813ab8f8716ff [0,2,0,1,0,0|0,0,0]=3 33915 B12R1.454 CCCCOCN[C@H]1C[C@@H]1CO c1aa96ae03a1ba92e8f2e8edc91f5877 [0,2,0,1,0,0|0,0,0]=3 33916 B12R1.454 CCCCOCN[C@H]1C[C@H]1CO d3fdb31a000f0e79e71298564ea3cbaf [0,2,0,1,0,0|0,0,0]=3 33917 B12R1.454 CCCOCCN[C@@H]1C[C@@H]1OC 2e7e04165c63d245a6e000dcdc8d4595 [0,2,0,1,0,0|1,0,0]=4 33918 B12R1.454 CCCOCCN[C@@H]1C[C@H]1CO 94037129683f319c6862907021049c21 [0,2,0,1,0,0|1,0,0]=4 33919 B12R1.454 CCCOCCN[C@H]1C[C@@H]1CO 8cbfad334f760793b9b6bdd8ef680db2 [0,2,0,1,0,0|1,0,0]=4 33920 B12R1.454 CCCOCCN[C@H]1C[C@H]1CO b85e85b5b1c384a4bf34175695c3ee65 [0,2,0,1,0,0|1,0,0]=4 33921 B12R1.454 CCCOCCOC1CC1C=O 4b75fc0a366d5b13192a2d0656dcb6c0 [0,2,0,1,0,0|0,0,1]=4 33922 B12R1.454 CCCSCCOC1CC1C=O 0c782c5ef2910f93095b31faa262867c [0,2,0,1,0,0|0,0,1]=4 33923 B12R1.454 CCOCCCN[C@@H]1C[C@@H]1OC bd7de68fe0fd0b2c34e4e3d94b312282 [0,2,0,1,0,0|1,0,0]=4 33924 B12R1.454 CCOCCCN[C@@H]1C[C@H]1CO 10b061c9c262c0c0a2bfd836aeb2cef9 [0,2,0,1,0,0|1,0,0]=4 33925 B12R1.454 CCOCCCN[C@H]1C[C@@H]1CO 7765d1e86bca29b1e74346eb8de9cc93 [0,2,0,1,0,0|1,0,0]=4 33926 B12R1.454 CCOCCCN[C@H]1C[C@H]1CO 3ac89933236c4a11b1bcec80138d3a1c [0,2,0,1,0,0|1,0,0]=4 33927 B12R1.454 CCOCCCOC1CC1C=O 74308a2c895f242211451e4f34bce9f3 [0,2,0,1,0,0|0,0,1]=4 33928 B12R1.454 CCOCCNCC1CC1CO 728a2808e7188a3ba931b35ad9d21a51 [0,2,0,1,0,0|1,0,0]=4 33929 B12R1.454 CCOCCOCC1CC1C#N ff693d0933a3cd3c1252934a30d35c5c [0,2,0,1,0,0|0,0,1]=4 33930 B12R1.454 CCSCCCN[C@@H]1C[C@@H]1OC 83e563ab8be2237ee7de216d42a3e4d8 [0,2,0,1,0,0|1,0,0]=4 33931 B12R1.454 CCSCCCN[C@@H]1C[C@H]1CO 56ba42345ab24f9ada8593f261173edb [0,2,0,1,0,0|1,0,0]=4 33932 B12R1.454 CCSCCCN[C@H]1C[C@@H]1CO d53589e7bac9c7e309e256853a874c9b [0,2,0,1,0,0|1,0,0]=4 33933 B12R1.454 CCSCCCN[C@H]1C[C@H]1CO 3257fcad6de64c432c0f270c7aca1580 [0,2,0,1,0,0|1,0,0]=4 33934 B12R1.454 CCSCCCOC1CC1C=O 2bab2c2d39f32928a57d807717d5e734 [0,2,0,1,0,0|0,0,1]=4 33935 B12R1.454 CCSCCNCC1CC1CO fdee07a983fb6aeb100886cd97397237 [0,2,0,1,0,0|1,0,0]=4 33936 B12R1.454 CCSCCOCC1CC1C#N 7b4a8df27830078acc3ec6474bf19849 [0,2,0,1,0,0|0,0,1]=4 33937 B12R1.454 COCCCCN[C@@H]1C[C@@H]1OC 5795c44cdffd01e7afab302eff95a012 [0,2,0,1,0,0|1,0,0]=4 33938 B12R1.454 COCCCCN[C@@H]1C[C@H]1CO 385456d1dcb6201531077bbb01b878fd [0,2,0,1,0,0|1,0,0]=4 33939 B12R1.454 COCCCCN[C@H]1C[C@@H]1CO f3ffa2e9b91d894b488bcf19680ec95c [0,2,0,1,0,0|1,0,0]=4 33940 B12R1.454 COCCCCN[C@H]1C[C@H]1CO b1a0fc65499d6c873d4fa4305fc7629c [0,2,0,1,0,0|1,0,0]=4 33941 B12R1.454 COCCCCOC1CC1C=O cd54d3498a2e64eec9bac56bc8345400 [0,2,0,1,0,0|0,0,1]=4 33942 B12R1.454 COCCCNCC1CC1CO 08d21b9408c44dc8fe43fc046c3995e1 [0,2,0,1,0,0|1,0,0]=4 33943 B12R1.454 COCCCOCC1CC1C#N 308c3249ee4a4f44fc5041bbb1f14955 [0,2,0,1,0,0|0,0,1]=4 33944 B12R1.454 COCCOCN[C@@H]1C[C@@H]1OC fbbd87206266efdb6b04abd02e86b35a [0,2,0,1,0,0|1,0,0]=4 33945 B12R1.454 COCCOCN[C@@H]1C[C@H]1CO 367702da2f6819752acc8790e75d0819 [0,2,0,1,0,0|1,0,0]=4 33946 B12R1.454 COCCOCN[C@H]1C[C@@H]1CO 5712dac10c6b96e9b25c707bff37422d [0,2,0,1,0,0|1,0,0]=4 33947 B12R1.454 COCCOCN[C@H]1C[C@H]1CO ca4fd783c6fff025cd455db1ee281659 [0,2,0,1,0,0|1,0,0]=4 33948 B12R1.454 CO[C@H]1C[C@H]1NCCCCCF 3a196f984883b3ae3f71df27d799761b [0,2,0,1,0,0|1,0,0]=4 33949 B12R1.454 CO[C@H]1C[C@H]1NCCCCCO 9fa7e78c097da7e194740bfed6c5adf5 [0,2,0,1,0,0|1,0,0]=4 33950 B12R1.454 CSCCCCOC1CC1C=O 44e8900f5280a3f69c42a3047dac46c7 [0,2,0,1,0,0|0,0,1]=4 33951 B12R1.454 CSCCCNCC1CC1CO 8cf49ae8eaa05b69f36a758f9959330b [0,2,0,1,0,0|1,0,0]=4 33952 B12R1.454 CSCCCOCC1CC1C#N fec7b2eef27463e6780b22149104446b [0,2,0,1,0,0|0,0,1]=4 33953 B12R1.454 N#CC1CC1COCCCCF 662c663b905fdedc9c0daf389ee11bba [0,2,0,1,0,0|0,0,1]=4 33954 B12R1.454 OCC1CC1CNCCCCF e423d652c86f8cc4ff3d930e609e2e2d [0,2,0,1,0,0|1,0,0]=4 33955 B12R1.454 OCCCCCN[C@@H]1C[C@H]1CO 625ca2e4c6919547dc003f999f4154a5 [0,2,0,1,0,0|1,0,0]=4 33956 B12R1.454 OCCCCCN[C@H]1C[C@@H]1CO aa1d4cde1b539842f3b61bddb6f8cf0b [0,2,0,1,0,0|1,0,0]=4 33957 B12R1.454 OCCCCCN[C@H]1C[C@H]1CO 3b4f27920cea842c613a0e16bd45587a [0,2,0,1,0,0|1,0,0]=4 33958 B12R1.454 OCCCCNCC1CC1CO a91ce525783e8a1c47dfd30c91282285 [0,2,0,1,0,0|1,0,0]=4 33959 B12R1.454 OC[C@@H]1C[C@@H]1NCCCCCF bb4f30d2ee3f5fb3caa42f91f88d9638 [0,2,0,1,0,0|1,0,0]=4 33960 B12R1.454 OC[C@@H]1C[C@H]1NCCCCCF 284f8083fd2ee14eb744c5afd69ed375 [0,2,0,1,0,0|1,0,0]=4 33961 B12R1.454 OC[C@H]1C[C@@H]1NCCCCCF 3d4267d709b6bdc8b5fdd9f0a18ce40f [0,2,0,1,0,0|1,0,0]=4 33962 B12R1.535 CCCC(C)N1CCC1CCO 5edae03541e9ab59573a2f908a7d2cc3 [0,2,0,1,0,0|1,0,0]=4 33963 B12R1.535 CCCC(C)N1CCC1COC 664c3bec0a811badd5ef0e5d04a204dd [0,2,0,1,0,0|1,0,0]=4 33964 B12R1.535 CCCC(C)N1CC[C@@H]1COC 811376c7bf7cc6a32d303a7bfc5456c4 [0,2,0,1,0,0|1,0,0]=4 33965 B12R1.535 CCCC(C)N1CC[C@H]1COC 4b462980e0046c7fcfae756147bfbe02 [0,2,0,1,0,0|1,0,0]=4 33966 B12R1.542 CCCN1CCO[C@@H]([C@H]1CO)C 0b5dd39d67af229c0014aa91a7a3e854 [0,2,0,1,0,0|1,0,0]=4 33967 B12R1.822 CCCC(C)N[C@H]1C[C@@H]1COC 4954553dfe3c88316561a9ac0b6ada25 [0,2,0,1,0,0|1,0,0]=4 33968 B12R1.822 CCCC(C)N[C@H]1C[C@H]1COC 7e0e6d4320297f8a5ab9e40284f824a2 [0,2,0,1,0,0|1,0,0]=4 33969 B12R1.923 C#CCCCCOC(C)C1CC1 56bef5bd9ce66df24b1069122a5c3099 [0,2,0,1,0,0|0,0,1]=4 33970 B12R1.923 C#CCCCCO[C@@H](C)C1CC1 b9dde3dfa9a12fd384f8563904520ec7 [0,2,0,1,0,0|0,0,1]=4 33971 B12R1.923 C#CCCCCO[C@H](C)C1CC1 9deb6427af8a1612f8861837db2092c8 [0,2,0,1,0,0|0,0,1]=4 33972 B12R1.923 C#CCCCOCC(C)C1CC1 d9dc6a533f12e13f40a88f9c45e5bec9 [0,2,0,1,0,0|0,0,1]=4 33973 B12R1.923 C/C=C/CCCOC(C)C1CC1 b7245d4941fdd73e6007d69e8c916ead [0,2,0,1,0,0|0,0,1]=4 33974 B12R1.923 C/C=C\CCCOC(C)C1CC1 09a16704188b4c7268d527c76e1c17f1 [0,2,0,1,0,0|0,0,1]=4 33975 B12R1.923 C/C=C\CCCO[C@@H](C)C1CC1 c78d779fcfa0351adee874880a4c636e [0,2,0,1,0,0|0,0,1]=4 33976 B12R1.923 C/C=C\CCCO[C@H](C)C1CC1 11921e3e112a564428dece223b51d38e [0,2,0,1,0,0|0,0,1]=4 33977 B12R1.923 C=CCCCCOC(C)C1CC1 18a51ad21fed3327a92875c3c592e128 [0,2,0,1,0,0|0,0,1]=4 33978 B12R1.923 C=CCCCCO[C@@H](C)C1CC1 9f069f70e998ae50f4fb36178b0c1fbd [0,2,0,1,0,0|0,0,1]=4 33979 B12R1.923 C=CCCCCO[C@H](C)C1CC1 097d0f201734831af48199708654d1f0 [0,2,0,1,0,0|0,0,1]=4 33980 B12R1.923 C=CCCCOCC(C)C1CC1 92d27a5fc7accf14e285f1128a6625fe [0,2,0,1,0,0|0,0,1]=4 33981 B12R1.923 CC#CCCCOC(C)C1CC1 f2df15083f354b5c11587a10eea2edd3 [0,2,0,1,0,0|0,0,1]=4 33982 B12R1.923 CC#CCCCO[C@@H](C)C1CC1 af941fa851c1406cca80b72df33204ba [0,2,0,1,0,0|0,0,1]=4 33983 B12R1.923 CC#CCCCO[C@H](C)C1CC1 29bc0a57763b7e6b1056c32cfa36eb3a [0,2,0,1,0,0|0,0,1]=4 33984 B12R1.923 CC(COCCCC#N)C1CC1 18de6bf230184d3f743bd036ded1d742 [0,2,0,1,0,0|0,0,1]=4 33985 B12R1.923 CC(COCCCC=O)C1CC1 e9f31c6dc14503a0dcfeca96a5cb810a [0,2,0,1,0,0|0,0,1]=4 33986 B12R1.923 CC(COCCCCF)C1CC1 b69125689240b9424226c9a7ab528abb [0,2,0,1,0,0|0,0,0]=3 33987 B12R1.923 CC(NCCCCCCl)C1CC1 4a2b3c5c560a75b81e92dcce0897279a [0,2,0,1,0,0|1,0,0]=4 33988 B12R1.923 CC(NCCCCCO)C1CC1 a80c7fa9568eb2576679b19fb1a84c89 [0,2,0,1,0,0|1,0,0]=4 33989 B12R1.923 CC(OCCCCC#N)C1CC1 125a639a9edc90acf2745a80e7aa5ff1 [0,2,0,1,0,0|0,0,1]=4 33990 B12R1.923 CC(OCCCCC=O)C1CC1 d68b50712fff720fc7b787dd0e8c462f [0,2,0,1,0,0|0,0,1]=4 33991 B12R1.923 CC(OCCCCCF)C1CC1 dd2b4faf2f5d2182e018cffe74e25188 [0,2,0,1,0,0|0,0,0]=3 33992 B12R1.923 CC(OCCOCCF)C1CC1 9823b1b8f33f02648e3b6db1404a9868 [0,2,0,1,0,0|1,0,0]=4 33993 B12R1.923 CC(OCCOCCS)C1CC1 480ce90949196715606af3c5570da875 [0,2,0,1,0,0|1,0,0]=4 33994 B12R1.923 CC/C=C/CCOC(C)C1CC1 742a307a6f0235ed7ebca69a76feaa60 [0,2,0,1,0,0|0,0,1]=4 33995 B12R1.923 CC/C=C/COCC(C)C1CC1 c2bf679f7a2c5bb8d060860622f8618d [0,2,0,1,0,0|0,0,1]=4 33996 B12R1.923 CC/C=C\CCOC(C)C1CC1 3f2957118176c275e7af752aab7474a7 [0,2,0,1,0,0|0,0,1]=4 33997 B12R1.923 CC/C=C\CCO[C@@H](C)C1CC1 107b58c7a5130da3e531c28345e8701f [0,2,0,1,0,0|0,0,1]=4 33998 B12R1.923 CC/C=C\CCO[C@H](C)C1CC1 19f2717ceb3a082623d8b388d840d368 [0,2,0,1,0,0|0,0,1]=4 33999 B12R1.923 CC=CCCCOC(C)C1CC1 6a922d3279b95de8ed3089b8fde17b71 [0,2,0,1,0,0|0,0,1]=4 34000 B12R1.923 CCC#CCCOC(C)C1CC1 a2cc2a5530196827411d1f63084438e2 [0,2,0,1,0,0|0,0,1]=4 34001 B12R1.923 CCC/C=C/COC(C)C1CC1 f82dec998d8feb6ecb4f8c01cd031d53 [0,2,0,1,0,0|0,0,1]=4 34002 B12R1.923 CCC/C=C/CO[C@@H](C)C1CC1 2dd0758a8e98518cfd069720f01e91ea [0,2,0,1,0,0|0,0,1]=4 34003 B12R1.923 CCC/C=C/CO[C@H](C)C1CC1 5bb3c38e34a83564e7a40b5c9369d89a [0,2,0,1,0,0|0,0,1]=4 34004 B12R1.923 CCC/C=C\COC(C)C1CC1 4bd23d50d092bf2c64d52c4c29b633e1 [0,2,0,1,0,0|0,0,1]=4 34005 B12R1.923 CCC/C=C\CO[C@@H](C)C1CC1 14cbdfe054fd6823b2197b642c28d664 [0,2,0,1,0,0|0,0,1]=4 34006 B12R1.923 CCC/C=C\CO[C@H](C)C1CC1 abce874194387b44f525658bccfefb75 [0,2,0,1,0,0|0,0,1]=4 34007 B12R1.923 CCCC#CCOC(C)C1CC1 f59da8fad7591f88f0c6cadec0ea441c [0,2,0,1,0,0|0,0,1]=4 34008 B12R1.923 CCCCCCCN(C)C1CC1 f104d4156ae7429e70a609aba646c383 [0,2,0,1,0,0|1,0,0]=4 34009 B12R1.923 CCCCCCNC(C)C1CC1 154d665f07e691347742c7c1d73045fe [0,2,0,1,0,0|1,0,0]=4 34010 B12R1.923 CCCCCCN[C@@H](C)C1CC1 8486d6e3525e0d480cee14a08bc840e8 [0,2,0,1,0,0|1,0,0]=4 34011 B12R1.923 CCCCCCN[C@H](C)C1CC1 658465828c6d9072b702157de963ec27 [0,2,0,1,0,0|1,0,0]=4 34012 B12R1.923 CCCCCCOC(C)C1CC1 e251b872f2ae4fbaf9bf636463f97251 [0,2,0,1,0,0|0,0,0]=3 34013 B12R1.923 CCCCCCO[C@@H](C)C1CC1 35d21c045cdcf8e3c1d6ab4babea9548 [0,2,0,1,0,0|0,0,0]=3 34014 B12R1.923 CCCCCCO[C@H](C)C1CC1 9800d5430195dbb61a38f4d700f85e1a [0,2,0,1,0,0|0,0,0]=3 34015 B12R1.923 CCCCCNCC(=O)C1CC1 eecb79873501462c1b37ecb7ebec965f [0,2,0,1,0,0|1,0,0]=4 34016 B12R1.923 CCCCCNCC(O)C1CC1 5f21e16d86407208ab1e1afb08c02898 [0,2,0,1,0,0|1,0,0]=4 34017 B12R1.923 CCCCCOCC(=O)C1CC1 80dc3a9572e032e04ac20c3f0a63a1e9 [0,2,0,1,0,0|0,0,0]=3 34018 B12R1.923 CCCCCOCC(C)C1CC1 9c4f8e82718d6b2d5140872c77370d25 [0,2,0,1,0,0|0,0,0]=3 34019 B12R1.923 CCCCNCOC(=O)C1CC1 bbdee4030b64226942c67fcaa3341eab [0,2,0,1,0,0|0,0,1]=4 34020 B12R1.923 CCCCOCCN(C)C1CC1 e9503e943b21ea9473b3a3baea109ae4 [0,2,0,1,0,0|0,0,0]=3 34021 B12R1.923 CCCCOCN[C@@H](C)C1CC1 b0d5b7eede0a1c77cb09a2a7e116ab81 [0,2,0,1,0,0|0,0,0]=3 34022 B12R1.923 CCCCOCN[C@H](C)C1CC1 85027c3fe49db51aeda1efc6d03ec744 [0,2,0,1,0,0|0,0,0]=3 34023 B12R1.923 CCCCOCOC(=O)C1CC1 9cea42cfcae687eec32839cb5af92c57 [0,2,0,1,0,0|0,0,1]=4 34024 B12R1.923 CCCCOCOC(C)C1CC1 5c2b5e6faed88f31a5cea5fcd21b8eac [0,2,0,1,0,0|0,0,0]=3 34025 B12R1.923 CCCCOCO[C@@H](C)C1CC1 0588715e85dafd7bb39f84a7fe93d6a4 [0,2,0,1,0,0|0,0,0]=3 34026 B12R1.923 CCCCOCO[C@H](C)C1CC1 5d88b7365deefb54553fc9887512fea5 [0,2,0,1,0,0|0,0,0]=3 34027 B12R1.923 CCCOCCNC(C)C1CC1 87d5fe476b39fdd971d3db2147ce223e [0,2,0,1,0,0|1,0,0]=4 34028 B12R1.923 CCCOCCN[C@@H](C)C1CC1 494bd0e075d55bf080538003f6f17c41 [0,2,0,1,0,0|1,0,0]=4 34029 B12R1.923 CCCOCCN[C@H](C)C1CC1 33cf58a625f924807c45e7fdff9e740e [0,2,0,1,0,0|1,0,0]=4 34030 B12R1.923 CCCOCCOC(C)C1CC1 dba513008b7490940fadde7756e74c0f [0,2,0,1,0,0|0,0,0]=3 34031 B12R1.923 CCCOCCO[C@@H](C)C1CC1 5e3395eb33b8898d3998b55f38dadf14 [0,2,0,1,0,0|0,0,0]=3 34032 B12R1.923 CCCOCCO[C@H](C)C1CC1 b918397325b80a8310d196256cd5bb47 [0,2,0,1,0,0|0,0,0]=3 34033 B12R1.923 CCCSCCOC(C)C1CC1 36bb559dd316d6cf2e8dd34a72ed47e4 [0,2,0,1,0,0|0,0,0]=3 34034 B12R1.923 CCOCCCNC(C)C1CC1 c976f07327164d476338db9428223839 [0,2,0,1,0,0|1,0,0]=4 34035 B12R1.923 CCOCCCN[C@@H](C)C1CC1 aa40433bf6178758869aec39013abebb [0,2,0,1,0,0|1,0,0]=4 34036 B12R1.923 CCOCCCN[C@H](C)C1CC1 be279aef745c3c0969621bf59152490e [0,2,0,1,0,0|1,0,0]=4 34037 B12R1.923 CCOCCCOC(C)C1CC1 5637035e2bf77bd86a3dda99303a5468 [0,2,0,1,0,0|0,0,0]=3 34038 B12R1.923 CCOCCCO[C@@H](C)C1CC1 e5e2fce18272bada0bf61eb5d8b90890 [0,2,0,1,0,0|0,0,0]=3 34039 B12R1.923 CCOCCCO[C@H](C)C1CC1 e3809dca7f7907c523b90a0ebfb8ade0 [0,2,0,1,0,0|0,0,0]=3 34040 B12R1.923 CCOCCNCC(O)C1CC1 64f97e6f4899b725b63110e81d7971dd [0,2,0,1,0,0|1,0,0]=4 34041 B12R1.923 CCOCCOCC(=O)C1CC1 f33792fda3434cf19916e73508e23616 [0,2,0,1,0,0|0,0,1]=4 34042 B12R1.923 CCOCCOCC(C)C1CC1 77195d44fa2fbf8455f0c09cfac62053 [0,2,0,1,0,0|0,0,0]=3 34043 B12R1.923 CCSCCCN[C@@H](C)C1CC1 78002005ff251cf3c46b7f8806ba03f9 [0,2,0,1,0,0|1,0,0]=4 34044 B12R1.923 CCSCCCN[C@H](C)C1CC1 1096cba820c2567c9884cbf7242cbcd7 [0,2,0,1,0,0|1,0,0]=4 34045 B12R1.923 CCSCCCOC(C)C1CC1 b8196868d72c384ef1a8b509940a1a34 [0,2,0,1,0,0|0,0,0]=3 34046 B12R1.923 CCSCCCO[C@@H](C)C1CC1 5e06a87189c6f1b1e6176521af4b5aa5 [0,2,0,1,0,0|0,0,0]=3 34047 B12R1.923 CCSCCCO[C@H](C)C1CC1 243e0cb91a279682a7ed439fc64bc87e [0,2,0,1,0,0|0,0,0]=3 34048 B12R1.923 CCSCCNCC(O)C1CC1 4b28dbe6bd75dc4d4b7a5f45d31b36f7 [0,2,0,1,0,0|1,0,0]=4 34049 B12R1.923 CCSCCOCC(=O)C1CC1 88bd88fd78dd52b95ff452e05171637b [0,2,0,1,0,0|0,0,1]=4 34050 B12R1.923 CCSCCOCC(C)C1CC1 9056e5661aea3832b4fc3a7533d64589 [0,2,0,1,0,0|0,0,0]=3 34051 B12R1.923 COCCCCNC(C)C1CC1 bf9d340931b1a654736aeefbeb4466c1 [0,2,0,1,0,0|1,0,0]=4 34052 B12R1.923 COCCCCN[C@@H](C)C1CC1 4c5e639e1464d91c1f1570a1cb9580e7 [0,2,0,1,0,0|1,0,0]=4 34053 B12R1.923 COCCCCN[C@H](C)C1CC1 8cbdf3ec6af316e5fbd087c5664b660d [0,2,0,1,0,0|1,0,0]=4 34054 B12R1.923 COCCCCOC(C)C1CC1 fd5e4c2719ac6815cf76bda4090df4a1 [0,2,0,1,0,0|0,0,0]=3 34055 B12R1.923 COCCCCO[C@@H](C)C1CC1 cc1457dcbbf82ee3491707b88b2b6649 [0,2,0,1,0,0|0,0,0]=3 34056 B12R1.923 COCCCCO[C@H](C)C1CC1 8ed82d059cefe355780f26554e0ef619 [0,2,0,1,0,0|0,0,0]=3 34057 B12R1.923 COCCCNCC(O)C1CC1 523cfe1f874e766d631b090aeee4bc2b [0,2,0,1,0,0|1,0,0]=4 34058 B12R1.923 COCCCOCC(=O)C1CC1 87b2f8b1b5a29f9540c89e80d319e431 [0,2,0,1,0,0|0,0,1]=4 34059 B12R1.923 COCCCOCC(C)C1CC1 d95b0b68fd807c7e5a03cbb1a4ea263c [0,2,0,1,0,0|0,0,0]=3 34060 B12R1.923 COCCOCCN(C)C1CC1 602bc50047ec24963743cf0d0f1495b2 [0,2,0,1,0,0|1,0,0]=4 34061 B12R1.923 COCCOCN[C@@H](C)C1CC1 e393ced97f25c5fe73589eaf748867bf [0,2,0,1,0,0|1,0,0]=4 34062 B12R1.923 COCCOCN[C@H](C)C1CC1 6b47305037f0a76d7ba43e3ff18aab67 [0,2,0,1,0,0|1,0,0]=4 34063 B12R1.923 COCCOCOC(C)C1CC1 ba68f9e0888d1c20df6aac1dc78f8d94 [0,2,0,1,0,0|1,0,0]=4 34064 B12R1.923 COCCOCO[C@@H](C)C1CC1 ee037fb3183525e6c73651779f945618 [0,2,0,1,0,0|1,0,0]=4 34065 B12R1.923 COCCOCO[C@H](C)C1CC1 d946f97efc1543d45ff67ccf140634ce [0,2,0,1,0,0|1,0,0]=4 34066 B12R1.923 COCOCCOC(C)C1CC1 cc3cd67e1b4e0f91dceddcab40c5fd2e [0,2,0,1,0,0|1,0,0]=4 34067 B12R1.923 COCOCCO[C@@H](C)C1CC1 ff418cf7a4b480997ab9cbf7b6945411 [0,2,0,1,0,0|1,0,0]=4 34068 B12R1.923 COCOCCO[C@H](C)C1CC1 b5dba41bbffbfeea323ff50e8dbb542e [0,2,0,1,0,0|1,0,0]=4 34069 B12R1.923 CSCCCCNC(C)C1CC1 ac2e04b2b01bc94d26da7d1df3176401 [0,2,0,1,0,0|1,0,0]=4 34070 B12R1.923 CSCCCCOC(C)C1CC1 815eeb2f394e4f80423aaa7fdc28b13f [0,2,0,1,0,0|0,0,0]=3 34071 B12R1.923 CSCCCNCC(O)C1CC1 ad3942a1a460788cf78d98525202e9a2 [0,2,0,1,0,0|1,0,0]=4 34072 B12R1.923 CSCCCOCC(=O)C1CC1 965582ce29473f66adff7e2a590424d8 [0,2,0,1,0,0|0,0,1]=4 34073 B12R1.923 CSCCCOCC(C)C1CC1 018f45c6afd0473e981a9db7cc10a24f [0,2,0,1,0,0|0,0,0]=3 34074 B12R1.923 C[C@@H](NCCCCCF)C1CC1 2775b7f9459bf02102db4796f2847ebb [0,2,0,1,0,0|1,0,0]=4 34075 B12R1.923 C[C@@H](NCCCCCO)C1CC1 f4ff1f4beb5742eb5f007da765cf72d3 [0,2,0,1,0,0|1,0,0]=4 34076 B12R1.923 C[C@@H](OCCCCC#N)C1CC1 01a8fe40f8bd68fe7d88f0dda9abd3b3 [0,2,0,1,0,0|0,0,1]=4 34077 B12R1.923 C[C@@H](OCCCCC=O)C1CC1 dff36a08e2704ef9dd59c11d93c640f0 [0,2,0,1,0,0|0,0,1]=4 34078 B12R1.923 C[C@@H](OCCCCCF)C1CC1 34c324f7c83cde0f2c9c8ac00113032d [0,2,0,1,0,0|0,0,0]=3 34079 B12R1.923 C[C@H](NCCCCCF)C1CC1 2ae776dbd7ae7e370be41498f100f3ac [0,2,0,1,0,0|1,0,0]=4 34080 B12R1.923 C[C@H](NCCCCCO)C1CC1 822ca89054353cea450df49919072202 [0,2,0,1,0,0|1,0,0]=4 34081 B12R1.923 C[C@H](OCCCCC#N)C1CC1 628fad92d70b76c754c7b27845529518 [0,2,0,1,0,0|0,0,1]=4 34082 B12R1.923 C[C@H](OCCCCC=O)C1CC1 503ca9ffaf645f128bff20343bbd62fd [0,2,0,1,0,0|0,0,1]=4 34083 B12R1.923 C[C@H](OCCCCCF)C1CC1 bd28f639f56e8ec00311498d018d5abd [0,2,0,1,0,0|0,0,0]=3 34084 B12R1.923 O=C(COCCCCF)C1CC1 7cb3be84d6f30f96294be92b06be9d6b [0,2,0,1,0,0|0,0,1]=4 34085 B12R1.923 O=C(COCCCCS)C1CC1 f7d4322bd9de3a8c59ddb9013ed8ff89 [0,2,0,1,0,0|0,0,1]=4 34086 B12R1.923 OC(CNCCCCCl)C1CC1 b323a7e66d24ea388b6396933e85c4d0 [0,2,0,1,0,0|1,0,0]=4 34087 B12R1.923 OC(CNCCCCF)C1CC1 607a946400a63a66ec7eda56f296cdc8 [0,2,0,1,0,0|1,0,0]=4 34088 B12R1.923 OC(CNCCCCS)C1CC1 771b602c4066c03c9431be2e38eb29f0 [0,2,0,1,0,0|1,0,0]=4 34089 B12R1.923 OCCCCNCC(O)C1CC1 8405822f7d5b111f4f24ba830d7c5c29 [0,2,0,1,0,0|1,0,0]=4 34090 B12R1.1408 CC1CC(N1CCCCCF)C 0d42c73b3957a5600754b83e28ad8347 [0,2,0,1,0,0|1,0,0]=4 34091 B12R1.1408 CC1CC(N1CCCCCO)C e8e322d2435e4e46520cd90c307385bc [0,2,0,1,0,0|1,0,0]=4 34092 B12R1.1408 CCCCCCN1C(CC1C)C c451f8febe2cfea6d156f401c32dcea1 [0,2,0,1,0,0|1,0,0]=4 34093 B12R1.1408 CCCCCCN1[C@@H](C[C@@H]1C)C 79d6a908d787b8991c137cabf095f64a [0,2,0,1,0,0|1,0,0]=4 34094 B12R1.1408 CCCCCCN1[C@@H](C[C@H]1C)C dfa0194476b5ea6b171eb576b2423147 [0,2,0,1,0,0|1,0,0]=4 34095 B12R1.1408 CCCCCCN1[C@H](C[C@@H]1C)C f0dab05a771a1130d25b5d896f5e581c [0,2,0,1,0,0|1,0,0]=4 34096 B12R1.1408 CCCCOCN1C(CC1C)C 7135cb60d5d31569f441ea02a085b085 [0,2,0,1,0,0|0,0,0]=3 34097 B12R1.1408 CCCCOCN1[C@@H](C[C@@H]1C)C 226b818f4b2d086e97ed5a04918ae508 [0,2,0,1,0,0|0,0,0]=3 34098 B12R1.1408 CCCCOCN1[C@@H](C[C@H]1C)C ee72ba6fd61b40a311a3c7069e67c31e [0,2,0,1,0,0|0,0,0]=3 34099 B12R1.1408 CCCCOCN1[C@H](C[C@@H]1C)C 45ab028c52fc7141798abc81c4bd289d [0,2,0,1,0,0|0,0,0]=3 34100 B12R1.1408 CCCOCCN1C(CC1C)C b8b1074729d66109181f8e2f5a5773e0 [0,2,0,1,0,0|1,0,0]=4 34101 B12R1.1408 CCCOCCN1[C@@H](C[C@@H]1C)C 643cb192199292d7c0e423cc0d5189c4 [0,2,0,1,0,0|1,0,0]=4 34102 B12R1.1408 CCCOCCN1[C@@H](C[C@H]1C)C 4ca98c0f1d558095d444aa0751983ab7 [0,2,0,1,0,0|1,0,0]=4 34103 B12R1.1408 CCCOCCN1[C@H](C[C@@H]1C)C c5ac62fd18efbb4eb516f74d3ab68983 [0,2,0,1,0,0|1,0,0]=4 34104 B12R1.1408 CCOCCCN1C(CC1C)C c49d01e645d5f8504905d979ca27c84b [0,2,0,1,0,0|1,0,0]=4 34105 B12R1.1408 CCOCCCN1[C@@H](C[C@@H]1C)C 8453100a2b023bdbe6f25be7c4d11df6 [0,2,0,1,0,0|1,0,0]=4 34106 B12R1.1408 CCOCCCN1[C@@H](C[C@H]1C)C 855f80782b570e9f6dd3540408bdccea [0,2,0,1,0,0|1,0,0]=4 34107 B12R1.1408 CCOCCCN1[C@H](C[C@@H]1C)C 807e537c0c0ca80cc603f6a0478eb066 [0,2,0,1,0,0|1,0,0]=4 34108 B12R1.1408 CCSCCCN1C(CC1C)C e014cb7468912a4a50ae6b70c9549164 [0,2,0,1,0,0|1,0,0]=4 34109 B12R1.1408 CCSCCCN1[C@@H](C[C@@H]1C)C cb12fffd78a9284b99736668d3510308 [0,2,0,1,0,0|1,0,0]=4 34110 B12R1.1408 CCSCCCN1[C@@H](C[C@H]1C)C 57e2ff3c63806aa28158663c6dbd5db1 [0,2,0,1,0,0|1,0,0]=4 34111 B12R1.1408 CCSCCCN1[C@H](C[C@@H]1C)C 31f386ea26afa27da5f508069ace20f2 [0,2,0,1,0,0|1,0,0]=4 34112 B12R1.1408 COCCCCN1C(CC1C)C 1d0bcfef0659033bb2e443c21d5a172f [0,2,0,1,0,0|1,0,0]=4 34113 B12R1.1408 COCCCCN1[C@@H](C[C@@H]1C)C 4c91fd57d924c212d0c2f09aa24144eb [0,2,0,1,0,0|1,0,0]=4 34114 B12R1.1408 COCCCCN1[C@@H](C[C@H]1C)C 77644604b91818e0addd4b9e89dd1ed8 [0,2,0,1,0,0|1,0,0]=4 34115 B12R1.1408 COCCCCN1[C@H](C[C@@H]1C)C 7cd1410eb231981459ab4da535583c2d [0,2,0,1,0,0|1,0,0]=4 34116 B12R1.1408 COCCOCN1C(CC1C)C 02f7e5590214b7c9b706a701efe31247 [0,2,0,1,0,0|1,0,0]=4 34117 B12R1.1408 COCCOCN1[C@@H](C[C@@H]1C)C de0c34f701a3e5fbc30d429478da55a7 [0,2,0,1,0,0|1,0,0]=4 34118 B12R1.1408 COCCOCN1[C@@H](C[C@H]1C)C fc92c74c8f5605d5cf349f65a33dc7f9 [0,2,0,1,0,0|1,0,0]=4 34119 B12R1.1408 COCCOCN1[C@H](C[C@@H]1C)C ecb1d5ae804f27c892ab9148aaa0495b [0,2,0,1,0,0|1,0,0]=4 34120 B12R1.1408 C[C@@H]1C[C@@H](N1CCCCCF)C fac4b3a94531ac02ab7e30989dc6dcae [0,2,0,1,0,0|1,0,0]=4 34121 B12R1.1408 C[C@@H]1C[C@@H](N1CCCCCO)C 5b66be98c08596371625c15619a41a8c [0,2,0,1,0,0|1,0,0]=4 34122 B12R1.1408 C[C@@H]1C[C@H](N1CCCCCF)C 04e81ade3353927cbd53e76594c7033a [0,2,0,1,0,0|1,0,0]=4 34123 B12R1.1408 C[C@@H]1C[C@H](N1CCCCCO)C cb4e0a7f25c856ae6da788a1f21b87ca [0,2,0,1,0,0|1,0,0]=4 34124 B12R1.1408 C[C@H]1C[C@@H](N1CCCCCF)C c18cc6f63f400bc49d8d26f3e3730fc9 [0,2,0,1,0,0|1,0,0]=4 34125 B12R1.1408 C[C@H]1C[C@@H](N1CCCCCO)C 891b4169cdbe637c12303398defc756f [0,2,0,1,0,0|1,0,0]=4 34126 B12R1.1419 CCCC1CN(C1)CCCCF 60fdfff8e9e7cca61cca40ea920bb90c [0,2,0,1,0,0|1,0,0]=4 34127 B12R1.1419 CCCC1CN(C1)CCCCO 0949a202ad7619d3d5523baeea191470 [0,2,0,1,0,0|1,0,0]=4 34128 B12R1.1419 CCCC1CN(C1)CCCOC 44082d3c2a05a4c518ad3991191874a0 [0,2,0,1,0,0|1,0,0]=4 34129 B12R1.1419 CCCC1CN(C1)CCCSC 7dadb8b6f74745781de55d552435c31f [0,2,0,1,0,0|1,0,0]=4 34130 B12R1.1419 CCCC1CN(C1)CCOCC f3e342f61dff8bbbcd9c5ac04971c76c [0,2,0,1,0,0|1,0,0]=4 34131 B12R1.1419 CCCC1CN(C1)CCSCC 25e60247741bed491eef900099adc3ea [0,2,0,1,0,0|1,0,0]=4 34132 B12R1.1419 CCCCCN1CC(C1)CCC 40e823f42d4983f9e1e56ca32f5fcbee [0,2,0,1,0,0|1,0,0]=4 34133 B12R1.1419 CCCCCN1CC(C1)COC b04ed792547b453729024afbf4795c59 [0,2,0,1,0,0|1,0,0]=4 34134 B12R1.1419 CCCCCN1CC(C1)OCC 99e3961b419d61f657ad2fc004350377 [0,2,0,1,0,0|1,0,0]=4 34135 B12R1.1419 CCCCNC1CC(C1)COC 4ddfbba659f928059fb1bf23e689253f [0,2,0,1,0,0|1,0,0]=4 34136 B12R1.1419 CCCCOC1CN(C1)CCC abb46000bdeea6946945cfa979693353 [0,2,0,1,0,0|0,0,0]=3 34137 B12R1.1419 CCCCOC1CN(C1)CCF 96c1777b7aaee46460597b582398629c [0,2,0,1,0,0|1,0,0]=4 34138 B12R1.1419 CCCCOC1CN(C1)CCO e5a2516791d93ccdbd96e5e578e57267 [0,2,0,1,0,0|1,0,0]=4 34139 B12R1.1419 CCCCOC1CN(C1)CCS 84d229ff71b6f46735582578782dca74 [0,2,0,1,0,0|1,0,0]=4 34140 B12R1.1419 CCCCOC1CN(C1)COC 942ccb823a0cd8df1382f463c792a696 [0,2,0,1,0,0|1,0,0]=4 34141 B12R1.1419 CCCCOC1CN(C1)CSC 9bb12b94a8a65539603ba93e9ac0b857 [0,2,0,1,0,0|1,0,0]=4 34142 B12R1.1419 CCCCO[C@H]1C[C@@H](C1)CC#N 0645ddca258a180b2705149255f03ffc [0,2,0,1,0,0|0,0,1]=4 34143 B12R1.1419 CCCCO[C@H]1C[C@@H](C1)COC ce4a4d68effc5239d67234399c8efa93 [0,2,0,1,0,0|0,0,0]=3 34144 B12R1.1419 CCCCO[C@H]1C[C@@H](C1)OCC ad90bb61571f7fc21d2d00f61da7aeea [0,2,0,1,0,0|0,0,0]=3 34145 B12R1.1419 CCCCO[C@H]1C[C@H](C1)COC db67af8cc520b491c0fc00a667188279 [0,2,0,1,0,0|0,0,0]=3 34146 B12R1.1419 CCCCO[C@H]1C[C@H](C1)OCC e0534d0120622ab6a339b746ecde291e [0,2,0,1,0,0|0,0,0]=3 34147 B12R1.1419 CCCN1CC(C1)OCCCF e3ebc059a5296901e9a24dd7dfda344d [0,2,0,1,0,0|1,0,0]=4 34148 B12R1.1419 CCCN1CC(C1)OCCCS 4509169f2f2a0871364456df8d94d059 [0,2,0,1,0,0|1,0,0]=4 34149 B12R1.1419 CCCN1CC(C1)OCCOC 0ecbb408d54fcc93b5b153c487890804 [0,2,0,1,0,0|1,0,0]=4 34150 B12R1.1419 CCCN1CC(C1)OCCSC 55181093f6fa6c14743e081dccfcd7d4 [0,2,0,1,0,0|1,0,0]=4 34151 B12R1.1419 CCCN1CC(C1)OCOCC ee01483a904d52803c816af57fb760ca [0,2,0,1,0,0|1,0,0]=4 34152 B12R1.1419 CCOCO[C@H]1C[C@@H](C1)COC 656fd9eb00505c4a30222c5c4a7a4c89 [0,2,0,1,0,0|1,0,0]=4 34153 B12R1.1419 CCOCO[C@H]1C[C@@H](C1)OCC 260d178438f5e404d988f3c8e66738a0 [0,2,0,1,0,0|1,0,0]=4 34154 B12R1.1419 CCOCO[C@H]1C[C@H](C1)COC a268580f68ca5ceabbe079f16aba25aa [0,2,0,1,0,0|1,0,0]=4 34155 B12R1.1419 CCOCO[C@H]1C[C@H](C1)OCC b23aea5293a3f709ad05661e1693f88a [0,2,0,1,0,0|1,0,0]=4 34156 B12R1.1419 CCO[C@H]1C[C@@H](C1)OCCCF 3eca9ac83de579c00a89432a6be288fc [0,2,0,1,0,0|1,0,0]=4 34157 B12R1.1419 CCO[C@H]1C[C@@H](C1)OCCCS 3e76fcee14815a611d16464bb35c5dc5 [0,2,0,1,0,0|1,0,0]=4 34158 B12R1.1419 CCO[C@H]1C[C@@H](C1)OCCOC a9b0938a934b32bbd2925357609b2ab0 [0,2,0,1,0,0|1,0,0]=4 34159 B12R1.1419 CCO[C@H]1C[C@@H](C1)OCCSC 500f7db905f367907c6c7b367a8d0bf0 [0,2,0,1,0,0|1,0,0]=4 34160 B12R1.1419 CCO[C@H]1C[C@H](C1)OCCCF e6069c3ca1941f30002527389f298d10 [0,2,0,1,0,0|1,0,0]=4 34161 B12R1.1419 CCO[C@H]1C[C@H](C1)OCCCS a32a89e49e543c54f0ae3e193c6d135b [0,2,0,1,0,0|1,0,0]=4 34162 B12R1.1419 CCO[C@H]1C[C@H](C1)OCCOC 5dcd94263bf6ca1f0e5538d04c344d88 [0,2,0,1,0,0|1,0,0]=4 34163 B12R1.1419 CCO[C@H]1C[C@H](C1)OCCSC 7ee0f69ff568f6da5e58fb806d218afe [0,2,0,1,0,0|1,0,0]=4 34164 B12R1.1419 COCCO[C@H]1C[C@@H](C1)COC 826f614966e24bd38d3b650b24ca795f [0,2,0,1,0,0|1,0,0]=4 34165 B12R1.1419 COCCO[C@H]1C[C@H](C1)COC 468e0f295f1743b014fb77149dd6f5ee [0,2,0,1,0,0|1,0,0]=4 34166 B12R1.1419 COC[C@H]1C[C@@H](C1)OCCCF baf312d7770b1d7dbf2be7e567c15453 [0,2,0,1,0,0|1,0,0]=4 34167 B12R1.1419 COC[C@H]1C[C@@H](C1)OCCCS 10aad367906fecb9443a12d6f76fddbc [0,2,0,1,0,0|1,0,0]=4 34168 B12R1.1419 COC[C@H]1C[C@@H](C1)OCCSC 6fd6d27a2e46b762cd340f16310b4544 [0,2,0,1,0,0|1,0,0]=4 34169 B12R1.1419 COC[C@H]1C[C@H](C1)OCCCF b756e367c835d3305892a6fb975414f3 [0,2,0,1,0,0|1,0,0]=4 34170 B12R1.1419 COC[C@H]1C[C@H](C1)OCCCS 7e76219a6c00623182cbf3827f32205d [0,2,0,1,0,0|1,0,0]=4 34171 B12R1.1419 COC[C@H]1C[C@H](C1)OCCSC 9e369dcea0ad2b3549f6d47bf891bec7 [0,2,0,1,0,0|1,0,0]=4 34172 B12R1.1444 CCCN1CCOCC(C1)CO 4ab5ab0aeb95ae44d803605f9ad041c6 [0,2,0,1,0,0|1,0,0]=4 34173 B12R1.1444 CCCN1CCOCC(C1)OC ebb39356b819970c23a72a6c850ce7fd [0,2,0,1,0,0|1,0,0]=4 34174 B12R1.1444 CCCN1CCOC[C@@H](C1)OC a2bbef21b598efef1d6d82159fe52915 [0,2,0,1,0,0|1,0,0]=4 34175 B12R1.1444 CCCN1CCOC[C@H](C1)OC 790c4bbf85fb026e673f8d1195544eba [0,2,0,1,0,0|1,0,0]=4 34176 B12R1.1505 C=C1CC1COCC(C)CCC b481b9c42df75d8bbe5da7cb682adabb [0,2,0,1,0,0|0,0,1]=4 34177 B12R1.1505 C=CCC(C)COCC1CC1C 1297a01eb86f2c0b960b24ec70f0de9d [0,2,0,1,0,0|0,0,1]=4 34178 B12R1.1505 C=CCC(C)COC[C@@H]1C[C@@H]1C 63f966f542065505a9e666c0f2859360 [0,2,0,1,0,0|0,0,1]=4 34179 B12R1.1505 C=CCC(C)COC[C@@H]1C[C@H]1C 0d2b25d070cc21fe38ffe8cac79f945a [0,2,0,1,0,0|0,0,1]=4 34180 B12R1.1505 C=CCC(C)COC[C@H]1C[C@@H]1C e7c73327c5645e768946ac3911ad76a0 [0,2,0,1,0,0|0,0,1]=4 34181 B12R1.1505 CC1CC1COC[C@@H](O)CCO f45609029439553222cefe630f81aef6 [0,2,0,1,0,0|0,0,0]=3 34182 B12R1.1505 CCCC(=O)COCC1CC1C 87b0661d1c476daa3406f2544cbbacd0 [0,2,0,1,0,0|0,0,0]=3 34183 B12R1.1505 CCCC(=O)COC[C@@H]1C[C@@H]1C e1ffb29a07fa389093428fe7852bf468 [0,2,0,1,0,0|0,0,0]=3 34184 B12R1.1505 CCCC(=O)COC[C@@H]1C[C@@H]1F c791a8e23158cf377a06b5eb8bba55a1 [0,2,0,1,0,0|0,0,1]=4 34185 B12R1.1505 CCCC(=O)COC[C@@H]1C[C@H]1C 445c14981404e0db549a48344c3ac3db [0,2,0,1,0,0|0,0,0]=3 34186 B12R1.1505 CCCC(=O)COC[C@@H]1C[C@H]1F 4d7eb324a7a25aed0aaacfcbc43a38bc [0,2,0,1,0,0|0,0,1]=4 34187 B12R1.1505 CCCC(=O)COC[C@H]1C[C@@H]1C e900aebf247a018cb48e71aada8454ed [0,2,0,1,0,0|0,0,0]=3 34188 B12R1.1505 CCCC(=O)COC[C@H]1C[C@@H]1F fa28a4a8ead86093f31956435f63b1f6 [0,2,0,1,0,0|0,0,1]=4 34189 B12R1.1505 CCCC(=O)COC[C@H]1C[C@H]1F 2429f23fabc62d79d6ea8ec59cb99a95 [0,2,0,1,0,0|0,0,1]=4 34190 B12R1.1505 CCCC(=O)OCNC1CC1C 249756bddf6a566dc759a2421eaf6da2 [0,2,0,1,0,0|0,0,1]=4 34191 B12R1.1505 CCCC(C)COCC1CC1C 20de894f72c7bb04e20506f202698e7d [0,2,0,1,0,0|0,0,0]=3 34192 B12R1.1505 CCCC(C)COC[C@@H]1C[C@@H]1C 56802ca7c310fd949e4850d3c6bce472 [0,2,0,1,0,0|0,0,0]=3 34193 B12R1.1505 CCCC(C)COC[C@@H]1C[C@@H]1F 904212e5ec6f68b86ea90a9cc3002b76 [0,2,0,1,0,0|0,0,0]=3 34194 B12R1.1505 CCCC(C)COC[C@@H]1C[C@H]1C a7afa90c8bd70a9072f393f5ac785bb9 [0,2,0,1,0,0|0,0,0]=3 34195 B12R1.1505 CCCC(C)COC[C@@H]1C[C@H]1F 04c5c1170810a307829668914f7c0456 [0,2,0,1,0,0|0,0,0]=3 34196 B12R1.1505 CCCC(C)COC[C@H]1C[C@@H]1C 4e097d54a3f86eb8983704fa429181a3 [0,2,0,1,0,0|0,0,0]=3 34197 B12R1.1505 CCCC(C)COC[C@H]1C[C@@H]1F 1014d4f36af7f541c87a24d817a6bf4e [0,2,0,1,0,0|0,0,0]=3 34198 B12R1.1505 CCCC(C)COC[C@H]1C[C@H]1F 9e8eff79f5427be32563c6a1d4736b8b [0,2,0,1,0,0|0,0,0]=3 34199 B12R1.1505 CCNC(=O)COCC1CC1C 6004bc5e4bed422d27af7d5d2d3bb773 [0,2,0,1,0,0|0,0,1]=4 34200 B12R1.1505 CCNC(=O)COC[C@@H]1C[C@@H]1C 324d0222e50049d3b71d2eef98b3fff9 [0,2,0,1,0,0|0,0,1]=4 34201 B12R1.1505 CCNC(=O)COC[C@@H]1C[C@H]1C bd7a3b685c5361977099e9a011720efc [0,2,0,1,0,0|0,0,1]=4 34202 B12R1.1505 CCNC(=O)COC[C@H]1C[C@@H]1C 25c61b63f50ad1d6434271e2c008fde7 [0,2,0,1,0,0|0,0,1]=4 34203 B12R1.1505 CCOC(=O)COCC1CC1C 11ae855b17a737290305f3ff5d686b29 [0,2,0,1,0,0|0,0,1]=4 34204 B12R1.1505 CCOC(=O)COC[C@@H]1C[C@@H]1C a79a2d3572b589643b59f450e44f649d [0,2,0,1,0,0|0,0,1]=4 34205 B12R1.1505 CCOC(=O)COC[C@@H]1C[C@H]1C 413e12c5899235a079c35504efbc6f37 [0,2,0,1,0,0|0,0,1]=4 34206 B12R1.1505 CCOC(=O)COC[C@H]1C[C@@H]1C e0764586ec52e3eb914fd34972a948ab [0,2,0,1,0,0|0,0,1]=4 34207 B12R1.1505 COCC(=O)COCC1CC1C bfdea1262b84d5426a3338d5ad947244 [0,2,0,1,0,0|0,0,1]=4 34208 B12R1.1505 COCC(=O)COC[C@@H]1C[C@@H]1C 6d38e081dabf0909bf1374374f9e034f [0,2,0,1,0,0|0,0,1]=4 34209 B12R1.1505 COCC(=O)COC[C@@H]1C[C@H]1C 964dcc175a6c0c6b78f007ea30648c84 [0,2,0,1,0,0|0,0,1]=4 34210 B12R1.1505 COCC(=O)COC[C@H]1C[C@@H]1C cabb258a2e4493a95dde3074b38f88df [0,2,0,1,0,0|0,0,1]=4 34211 B12R1.1505 C[C@@H]1C[C@H]1COC[C@@H](O)CCO 5dae00b94c550cd8518b736d97c70739 [0,2,0,1,0,0|0,0,0]=3 34212 B12R1.1505 C[C@H]1C[C@@H]1COC[C@@H](O)CCO cb952d4c96e52ddb7606c12e54bb12bd [0,2,0,1,0,0|0,0,0]=3 34213 B12R1.1505 C[C@H]1C[C@H]1COC[C@@H](O)CCO 2a56de502f94b1e8a661dd03ce46b49a [0,2,0,1,0,0|0,0,0]=3 34214 B12R1.1505 OCC[C@H](O)COC[C@@H]1C[C@@H]1F 0ca51f853340e9cc2e171b3b49403926 [0,2,0,1,0,0|1,0,0]=4 34215 B12R1.1505 OCC[C@H](O)COC[C@@H]1C[C@H]1F 25675d58cd84da65c728ea1ed99fdc8d [0,2,0,1,0,0|1,0,0]=4 34216 B12R1.1505 OCC[C@H](O)COC[C@H]1C[C@@H]1F 11f570e2e363466425d3119997878490 [0,2,0,1,0,0|1,0,0]=4 34217 B12R1.1505 OCC[C@H](O)COC[C@H]1C[C@H]1F 06e84c4bdf716c87b0742db6e6428a66 [0,2,0,1,0,0|1,0,0]=4 34218 B12R1.1564 CCCC(C)N1CCCCCC1 7aa63a7bde9eec6187c02d0716124126 [0,2,0,1,0,0|1,0,0]=4 34219 B12R1.1564 CCCC(C)N1CCCOCC1 c838068d2bbd302d1c99fc4f9f868d3b [0,2,0,1,0,0|1,0,0]=4 34220 B12R1.1564 CCCN(C)C1CCCCCC1 9cfd8f841e2a0caeb3e9f961ad0eabfb [0,2,0,1,0,0|1,0,0]=4 34221 B12R1.1996 C#CCCCOCC1(CCC1)C cc04888dcb51f1c91c7472da49e33e35 [0,2,0,1,0,0|0,0,1]=4 34222 B12R1.1996 C#CCCCOCC1(CCC1)F 815c2003c97bbf79e7b2b9878d00c5ac [0,2,0,1,0,0|0,0,1]=4 34223 B12R1.1996 C/C=C/CCOCC1(CCC1)C 1a3f70b40ac8bc6afe3987727812bfd4 [0,2,0,1,0,0|0,0,1]=4 34224 B12R1.1996 C=CCCCOCC1(CCC1)C 5ecb6f02aee560f7185f99266ce5e8d0 [0,2,0,1,0,0|0,0,1]=4 34225 B12R1.1996 C=CCCCOCC1(CCC1)F d93f22bbbe005643ded86d8382216b9c [0,2,0,1,0,0|0,0,1]=4 34226 B12R1.1996 CC#CCCOCC1(CCC1)C dace751274728f088b425ce2ce3edb41 [0,2,0,1,0,0|0,0,1]=4 34227 B12R1.1996 CC/C=C/COCC1(CCC1)C 92a4ac5c05eb05b74ba94ddf631d577a [0,2,0,1,0,0|0,0,1]=4 34228 B12R1.1996 CC/C=C/COCC1(CCC1)F 18a0b0c7cc8db462dd65c610cd9480ab [0,2,0,1,0,0|0,0,1]=4 34229 B12R1.1996 CC/C=C\COCC1(CCC1)C 1dfc89b79d0a22f92471f6b4e727422b [0,2,0,1,0,0|0,0,1]=4 34230 B12R1.1996 CC1(CCC1)CNCCCCCl 0429353a5433e92d8068aa5d7b893f15 [0,2,0,1,0,0|1,0,0]=4 34231 B12R1.1996 CC1(CCC1)CNCCCCO 4a786a71780b1475eae8abe5b072ffbe [0,2,0,1,0,0|1,0,0]=4 34232 B12R1.1996 CC1(CCC1)CNCCCCS 6183f5eddd06961c42c4fcf595085af6 [0,2,0,1,0,0|1,0,0]=4 34233 B12R1.1996 CC1(CCC1)COCCCC#N 4968d5e59f60bf62a67f8df322b4f498 [0,2,0,1,0,0|0,0,1]=4 34234 B12R1.1996 CC1(CCC1)COCCCC=O 13b5da343016aaface917dea05165845 [0,2,0,1,0,0|0,0,1]=4 34235 B12R1.1996 CC1(CCC1)COCCCCF 3d1acca80c6d39a751be2e32c5d45183 [0,2,0,1,0,0|0,0,0]=3 34236 B12R1.1996 CC1(CCC1)COCCCCS c01041e4565a04c75322854d9ce87e34 [0,2,0,1,0,0|0,0,0]=3 34237 B12R1.1996 CC1(CCC1)NCCCCCF ae212171400a7d512598f3a1684d6edb [0,2,0,1,0,0|1,0,0]=4 34238 B12R1.1996 CC1(CCC1)NCCCCCO 904f7693cf4a80cbdb4d2af3fa76ced2 [0,2,0,1,0,0|1,0,0]=4 34239 B12R1.1996 CC1(CCO1)COCCCCF 6e4c9a88cddb4119bed30e7558e637ca [0,2,0,1,0,0|1,0,0]=4 34240 B12R1.1996 CC1(COC1)COCCCCF 16cb93f029c628539bc029c541f5ec83 [0,2,0,1,0,0|1,0,0]=4 34241 B12R1.1996 CC1(COC1)COCCCCS 9fb0614a88cb1439d112af1e123eefe2 [0,2,0,1,0,0|1,0,0]=4 34242 B12R1.1996 CC1(CSC1)COCCCCF 40f1bdbe9cd6523c8390c10df0399252 [0,2,0,1,0,0|1,0,0]=4 34243 B12R1.1996 CCC#CCOCC1(CCC1)C 0858befffdc5ac4782a6039df2c6cda1 [0,2,0,1,0,0|0,0,1]=4 34244 B12R1.1996 CCCCCCNC1(CCC1)C 697bbf18796de814933dd82080dc6578 [0,2,0,1,0,0|1,0,0]=4 34245 B12R1.1996 CCCCCNCC1(CCC1)C 56d1164ead7fd3ee8ec8dd94ccc2e514 [0,2,0,1,0,0|1,0,0]=4 34246 B12R1.1996 CCCCCNCC1(CCC1)O 31a2c6573ddb95a94a01e8b35b1fd46f [0,2,0,1,0,0|1,0,0]=4 34247 B12R1.1996 CCCCCNCC1(CCO1)C 7f6056749c379f3bf0168a37ab89b716 [0,2,0,1,0,0|1,0,0]=4 34248 B12R1.1996 CCCCCNCC1(COC1)C 8bfe5ad1a7b40b4d2fc41e7e372d7f41 [0,2,0,1,0,0|1,0,0]=4 34249 B12R1.1996 CCCCCNCC1(COC1)F 38697fd97124cd80533d94b11d921471 [0,2,0,1,0,0|1,0,0]=4 34250 B12R1.1996 CCCCCNCC1(COC1)O c4fb003d558c7fb2376e68917cdc731d [0,2,0,1,0,0|1,0,0]=4 34251 B12R1.1996 CCCCCNC[C@@]1(CCO1)C 5f0071228e477dc7719ad6bbce3b81ea [0,2,0,1,0,0|1,0,0]=4 34252 B12R1.1996 CCCCCOCC1(CCC1)C 3c66431cf585e5417bd001a561278e15 [0,2,0,1,0,0|0,0,0]=3 34253 B12R1.1996 CCCCCOCC1(CCC1)F d18e3d703858641d3f3563066ede40c7 [0,2,0,1,0,0|0,0,0]=3 34254 B12R1.1996 CCCCCOCC1(CCO1)C 64ed431684eb1dea45ef6f4b432123c8 [0,2,0,1,0,0|0,0,0]=3 34255 B12R1.1996 CCCCCOCC1(COC1)C fdd39129156a9fb6a4a4df399816df54 [0,2,0,1,0,0|0,0,0]=3 34256 B12R1.1996 CCCCCOCC1(COC1)F ea8376c16e8330f2028fed535268cdfe [0,2,0,1,0,0|0,0,0]=3 34257 B12R1.1996 CCCCCOCC1(CSC1)C 6cd47386197c9b24244f72931898fbff [0,2,0,1,0,0|0,0,0]=3 34258 B12R1.1996 CCCCCOC[C@@]1(CCO1)C f84459e8efaf4d82c98f43ee36924a2a [0,2,0,1,0,0|0,0,0]=3 34259 B12R1.1996 CCCCCOC[C@]1(CCO1)C 2de9ce60b6059d5ad97e71d50794896c [0,2,0,1,0,0|0,0,0]=3 34260 B12R1.1996 CCCCNCCC1(CCC1)O f9e0b1387a00aaac55d3d6fa01219777 [0,2,0,1,0,0|1,0,0]=4 34261 B12R1.1996 CCCCNCCC1(COC1)O 659e6908914d3f741f95628f1523b11b [0,2,0,1,0,0|1,0,0]=4 34262 B12R1.1996 CCCCOCCC1(COC1)F e42387bffe8997643dbe4b5066a976c4 [0,2,0,1,0,0|0,0,0]=3 34263 B12R1.1996 CCCCOCNC1(CCC1)C 2e8fc31652446d7133d785a63b2a0dd3 [0,2,0,1,0,0|0,0,0]=3 34264 B12R1.1996 CCCCOCNC1(COC1)C 3393d404d401572b066cbd23f2c95920 [0,2,0,1,0,0|1,0,0]=4 34265 B12R1.1996 CCCCOCNC1(CSC1)C 3755bc5dc60d9983a396648caebcc5e2 [0,2,0,1,0,0|1,0,0]=4 34266 B12R1.1996 CCCOCCNC1(CCC1)C 2a608f0fc8d0f925ce3ab4ff612789ec [0,2,0,1,0,0|1,0,0]=4 34267 B12R1.1996 CCOCCCNC1(CCC1)C f58cd55c98b79d56c5dd72d6caa717bf [0,2,0,1,0,0|1,0,0]=4 34268 B12R1.1996 CCOCCNCC1(CCC1)C dccefef4ecb4c5dd8b7c920dbf423f3d [0,2,0,1,0,0|1,0,0]=4 34269 B12R1.1996 CCOCCNCC1(CCC1)O 2a07b6fde3cf9c80cf2a16eb4ae3c083 [0,2,0,1,0,0|1,0,0]=4 34270 B12R1.1996 CCOCCOCC1(CCC1)C f03a63e70e5b7d555630981e52163d08 [0,2,0,1,0,0|0,0,0]=3 34271 B12R1.1996 CCOCCOCC1(CCC1)F dd6bdbd115d451d7f2c0deb93c81db3a [0,2,0,1,0,0|0,0,0]=3 34272 B12R1.1996 CCOCCOCC1(CCO1)C 07d9fc5063e776ce08cbffca543e86b8 [0,2,0,1,0,0|1,0,0]=4 34273 B12R1.1996 CCOCCOCC1(COC1)C 70b5938ee430ec991b69fe73395722d7 [0,2,0,1,0,0|1,0,0]=4 34274 B12R1.1996 CCOCCOCC1(COC1)F 7fad9e50840a0f95232cf6e957f407cb [0,2,0,1,0,0|1,0,0]=4 34275 B12R1.1996 CCOCCOCC1(CSC1)C 8a03ad49f6fcc37ac67c57dfc7459980 [0,2,0,1,0,0|1,0,0]=4 34276 B12R1.1996 CCOCCOC[C@@]1(CCO1)C 84a115a667f99115dc2421917c9b363d [0,2,0,1,0,0|1,0,0]=4 34277 B12R1.1996 CCOCCOC[C@]1(CCO1)C 661ee392cac441835ce4990e5444b63c [0,2,0,1,0,0|1,0,0]=4 34278 B12R1.1996 CCOCOCCC1(COC1)F 926042868f769a2aca25efd4f0f03f8d [0,2,0,1,0,0|1,0,0]=4 34279 B12R1.1996 CCSCCCNC1(CCC1)C 54601ec662db8fda1ab1882cfab2d976 [0,2,0,1,0,0|1,0,0]=4 34280 B12R1.1996 CCSCCNCC1(CCC1)C 7e955a0ad5b84b1b794a910efd5cd5a0 [0,2,0,1,0,0|1,0,0]=4 34281 B12R1.1996 CCSCCNCC1(CCC1)O 2e3e7acc6e35d3b2ec51e253aa70c47d [0,2,0,1,0,0|1,0,0]=4 34282 B12R1.1996 CCSCCOCC1(CCC1)C a3b4b44c555c07face296df42411a557 [0,2,0,1,0,0|0,0,0]=3 34283 B12R1.1996 CCSCCOCC1(CCC1)F 882e4561faebb66dfd39d319400a3ccd [0,2,0,1,0,0|0,0,0]=3 34284 B12R1.1996 CCSCCOCC1(CCO1)C e8750f6ff7903f8ea809f31338502988 [0,2,0,1,0,0|1,0,0]=4 34285 B12R1.1996 CCSCCOCC1(COC1)C 155a8a0ef1f85a539d9702fbf7e8f3c1 [0,2,0,1,0,0|1,0,0]=4 34286 B12R1.1996 CCSCCOCC1(COC1)F f0201cf8fc59beb5ece6d4069cc3159f [0,2,0,1,0,0|1,0,0]=4 34287 B12R1.1996 CCSCCOCC1(CSC1)C 6a100a4d48395ce5f30cb00bfa9d75d4 [0,2,0,1,0,0|1,0,0]=4 34288 B12R1.1996 CCSCCOC[C@@]1(CCO1)C ae4b2a6fa2d0796649201af954df368d [0,2,0,1,0,0|1,0,0]=4 34289 B12R1.1996 CCSCCOC[C@]1(CCO1)C 345126f15ab1daf099b46487c01cbfa5 [0,2,0,1,0,0|1,0,0]=4 34290 B12R1.1996 COCCCCNC1(CCC1)C 9d0e1f7bc3f809824f2b1c2049add9cd [0,2,0,1,0,0|1,0,0]=4 34291 B12R1.1996 COCCCNCC1(CCC1)C 48118f728a0891141de84d818264e601 [0,2,0,1,0,0|1,0,0]=4 34292 B12R1.1996 COCCCNCC1(CCC1)O dde47a6ff9d4c8b2729e9e0a6ebcd480 [0,2,0,1,0,0|1,0,0]=4 34293 B12R1.1996 COCCCOCC1(CCC1)C f3086a9b30d1115f918dea83ca509efa [0,2,0,1,0,0|0,0,0]=3 34294 B12R1.1996 COCCCOCC1(CCC1)F 5236c3efd3795f715fd8e2c2fb09fae5 [0,2,0,1,0,0|0,0,0]=3 34295 B12R1.1996 COCCCOCC1(CCO1)C 365c55f5de94b0348bf3cddefd581636 [0,2,0,1,0,0|1,0,0]=4 34296 B12R1.1996 COCCCOCC1(COC1)C 07701208ab0e285f0249cce9e96ce046 [0,2,0,1,0,0|1,0,0]=4 34297 B12R1.1996 COCCCOCC1(COC1)F d18012623978be190309090dd8ade69f [0,2,0,1,0,0|1,0,0]=4 34298 B12R1.1996 COCCCOCC1(CSC1)C f52869237503c9a8a3aba931a04ad07b [0,2,0,1,0,0|1,0,0]=4 34299 B12R1.1996 COCCCOC[C@@]1(CCO1)C 85540339157ba8bc4b020fdeabd11274 [0,2,0,1,0,0|1,0,0]=4 34300 B12R1.1996 COCCCOC[C@]1(CCO1)C d1790bc07e94df449dbfa84711b4075f [0,2,0,1,0,0|1,0,0]=4 34301 B12R1.1996 COCCOCCC1(COC1)F 7dd79b54ed7c9ba5abf1328a0de0ed09 [0,2,0,1,0,0|1,0,0]=4 34302 B12R1.1996 COCCOCNC1(CCC1)C bb452409a050077fa65573b64f145cfd [0,2,0,1,0,0|1,0,0]=4 34303 B12R1.1996 CSCCCNCC1(CCC1)C 77af603dd702679c338820c4980999f1 [0,2,0,1,0,0|1,0,0]=4 34304 B12R1.1996 CSCCCNCC1(CCC1)O fe1ebb69e5108bc4970055a5d39b3d36 [0,2,0,1,0,0|1,0,0]=4 34305 B12R1.1996 CSCCCOCC1(CCC1)C 69de280627ac5b20638f03ded2557bc2 [0,2,0,1,0,0|0,0,0]=3 34306 B12R1.1996 CSCCCOCC1(CCC1)F 49ff8b4fed330ff47b62b454e5eefac4 [0,2,0,1,0,0|0,0,0]=3 34307 B12R1.1996 CSCCCOCC1(CCO1)C d58ef72d80b89d500ff542f069ba994f [0,2,0,1,0,0|1,0,0]=4 34308 B12R1.1996 CSCCCOCC1(COC1)C 15b61f9caea2c4fe5f5e2579c6005922 [0,2,0,1,0,0|1,0,0]=4 34309 B12R1.1996 CSCCCOCC1(COC1)F 2d1d386d461067c09b46d35238c204e3 [0,2,0,1,0,0|1,0,0]=4 34310 B12R1.1996 CSCCCOCC1(CSC1)C 2a7f91c69f5107339fded98a1a215266 [0,2,0,1,0,0|1,0,0]=4 34311 B12R1.1996 CSCCCOC[C@@]1(CCO1)C 051f208987567b12b0c618cd9721f6f7 [0,2,0,1,0,0|1,0,0]=4 34312 B12R1.1996 CSCCCOC[C@]1(CCO1)C 85b46a5e112537942df551a3e46ee1bc [0,2,0,1,0,0|1,0,0]=4 34313 B12R1.1996 CSCCOCCC1(COC1)F b7b728c91346add268f22cbf9d39bc95 [0,2,0,1,0,0|1,0,0]=4 34314 B12R1.1996 C[C@@]1(CCO1)COCCCCF 7471e79c4ed2dc7e9d0deb07be020947 [0,2,0,1,0,0|1,0,0]=4 34315 B12R1.1996 C[C@]1(CCO1)COCCCCF ffd53b8a1baa437fc07f9a33ac73a7b8 [0,2,0,1,0,0|1,0,0]=4 34316 B12R1.1996 FC1(COC1)CCOCCCS 578f1cc446f3210ab626711cf071dd47 [0,2,0,1,0,0|1,0,0]=4 34317 B12R1.1996 FC1(COC1)COCCCCS 9478e3e83b6727491bdd73891f0a206e [0,2,0,1,0,0|1,0,0]=4 34318 B12R1.1996 FCCCCOCC1(CCC1)F 43a22033cedb97ac11adf5a7153b2266 [0,2,0,1,0,0|0,0,0]=3 34319 B12R1.1996 FCCCCOCC1(COC1)F e966394a6e8b655c8747773e06a79b74 [0,2,0,1,0,0|1,0,0]=4 34320 B12R1.1996 FCCCOCCC1(COC1)F f9d720b8a55e6349fc1b4434545d0545 [0,2,0,1,0,0|1,0,0]=4 34321 B12R1.1996 N#CCCCOCC1(CCC1)F 979a3d0406e2e86ec0b0099b9fcb2171 [0,2,0,1,0,0|0,0,1]=4 34322 B12R1.1996 O=CCCCOCC1(CCC1)F a677d4989967c890253d64e1be0e50e7 [0,2,0,1,0,0|0,0,1]=4 34323 B12R1.1996 OC1(CCC1)CNCCCCF 0fa8dfd6dd7da96253e5a8655c43c5a6 [0,2,0,1,0,0|1,0,0]=4 34324 B12R1.1996 OCCCCNCC1(CCC1)O 02a7371e0187d5b98b407d4e49635ec6 [0,2,0,1,0,0|1,0,0]=4 34325 B12R1.3668 CC1(CC1F)COCCCCF 533aabf98eb5f605aeaafbae27fde284 [0,2,0,1,0,0|1,0,0]=4 34326 B12R1.3668 CCCCCOCC1(CC1F)C 5580e03bc570447db4e90415e6e14874 [0,2,0,1,0,0|0,0,0]=3 34327 B12R1.3668 CCOCCOCC1(CC1F)C 09f39a7624783d30e25c1bca1834f19d [0,2,0,1,0,0|1,0,0]=4 34328 B12R1.3668 CCSCCOCC1(CC1F)C 6bf0815e83c66d2fe28abfe03b5323b2 [0,2,0,1,0,0|1,0,0]=4 34329 B12R1.3668 COCCCOCC1(CC1F)C 7879818379558e225239b48fd06dac1f [0,2,0,1,0,0|1,0,0]=4 34330 B12R1.3668 CSCCCOCC1(CC1F)C b94209421da1bd06ea8aada2ac489666 [0,2,0,1,0,0|1,0,0]=4 34331 B12R1.31 CCCC(C)CN1CCC(C1)C bc8f07526c28d60b890ab1e01f69f237 [0,2,0,1,0,0|1,0,0]=4 34332 B12R1.31 CCCC(C)CN1CCC(C1)F fbe6c0798cddef60228c8dddab93de1a [0,2,0,1,0,0|1,0,0]=4 34333 B12R1.31 CCCC(C)CN1CCC(C1)O dc770337129db6cb160299aecd5b5f3a [0,2,0,1,0,0|1,0,0]=4 34334 B12R1.31 CCCC(C)CN1CC[C@@H](C1)F 5ae9fb5b69d2286448a1a59b70d14ed2 [0,2,0,1,0,0|1,0,0]=4 34335 B12R1.31 CCCC(C)CN1CC[C@@H](C1)O d1bc131f857cf1e759fcf306a455c984 [0,2,0,1,0,0|1,0,0]=4 34336 B12R1.31 CCCC(C)CN1CC[C@H](C1)F 4c48ffbb887d37df7bc3b2abf5d24e31 [0,2,0,1,0,0|1,0,0]=4 34337 B12R1.31 CCCC(C)CN1CC[C@H](C1)O 952a7ae223346d00694dc1cd0094146e [0,2,0,1,0,0|1,0,0]=4 34338 B12R1.31 CCCC(C)NC1CCC(C1)C f76e0cdd649803ae5a85fcecbf8a266b [0,2,0,1,0,0|1,0,0]=4 34339 B12R1.31 CCCC(C)NC1CCC(C1)O b8aa0810d4c31fbfec2a932fb681bfe7 [0,2,0,1,0,0|1,0,0]=4 34340 B12R1.31 CCCC(C)N[C@@H]1CC[C@@H](C1)O 21079ba21ee7fa9420d6ec3bf5fbc467 [0,2,0,1,0,0|1,0,0]=4 34341 B12R1.31 CCCC(C)N[C@@H]1CC[C@H](C1)O 178c992b59a9c319832770610348b9c1 [0,2,0,1,0,0|1,0,0]=4 34342 B12R1.31 CCCC(C)N[C@H]1CC[C@@H](C1)O 007e551024762091f7f30696165e5ba3 [0,2,0,1,0,0|1,0,0]=4 34343 B12R1.31 CCCC(C)N[C@H]1CC[C@H](C1)O 627f0d4fe349d5c3f62beaa4e867dbda [0,2,0,1,0,0|1,0,0]=4 34344 B12R1.31 CCCC(C)OC1CCC(C1)C e43ab73ec363812030398ff72215e589 [0,2,0,1,0,0|0,0,0]=3 34345 B12R1.31 CCCC(C)OC1CCC(C1)F d2428dba5b878dfec06282ed8703599f [0,2,0,1,0,0|0,0,0]=3 34346 B12R1.31 CCCC(C)OC1CCN(C1)C 8873be4b9ce15429a40254aca3a89d8d [0,2,0,1,0,0|1,0,0]=4 34347 B12R1.31 CCCC(C)OC1COC(C1)C c093c195207ed2492ddb877ee09b17ff [0,2,0,1,0,0|1,0,0]=4 34348 B12R1.31 CCCC(C)O[C@@H]1CCN(C1)C 4b78394e6eb84d949c6c313330708c95 [0,2,0,1,0,0|1,0,0]=4 34349 B12R1.31 CCCC(C)O[C@H]1CCN(C1)C 6d008c52ff78b7e934f7e499ab8f8bb4 [0,2,0,1,0,0|1,0,0]=4 34350 B12R1.31 CCC[C@@H](C)OC1CCN(C1)C 014bd3f8d5cd32252a32364c6c7b81d7 [0,2,0,1,0,0|1,0,0]=4 34351 B12R1.31 CCC[C@@H](C)OC1COC(C1)C d884917c2bda09bf0da22c1a6087611b [0,2,0,1,0,0|1,0,0]=4 34352 B12R1.31 CCC[C@@H](C)O[C@@H]1CCN(C1)C b3b87cd0eafbd9635b34332340889e02 [0,2,0,1,0,0|1,0,0]=4 34353 B12R1.31 CCC[C@@H](C)O[C@H]1CCN(C1)C fc0693ddce776c00a239a65afb5a66fe [0,2,0,1,0,0|1,0,0]=4 34354 B12R1.31 CCC[C@H](C)OC1CCN(C1)C eb984a00034070d9b6274e352199504c [0,2,0,1,0,0|1,0,0]=4 34355 B12R1.31 CCC[C@H](C)OC1COC(C1)C ed9ee3fca2a226007ce4581d8ca707d2 [0,2,0,1,0,0|1,0,0]=4 34356 B12R1.31 CCC[C@H](C)O[C@@H]1CCN(C1)C d6c0593b48477ffcac510a6999102a0f [0,2,0,1,0,0|1,0,0]=4 34357 B12R1.31 CCC[C@H](C)O[C@H]1CCN(C1)C 5534e4a782e2e685631b70edb53e8676 [0,2,0,1,0,0|1,0,0]=4 34358 B12R1.31 COCC(C)OC1CCC(C1)C c097d3bca929ceb512f9abca39acad7e [0,2,0,1,0,0|1,0,0]=4 34359 B12R1.31 COCC(C)OC1CCC(C1)F 5d64c9f777e5d22aef9d839b289da934 [0,2,0,1,0,0|1,0,0]=4 34360 B12R1.53 C=CCCC(C)OC1CCCC1 e5f2fca38a791ca5283b6891e383886f [0,2,0,1,0,0|0,0,1]=4 34361 B12R1.53 C=CCC[C@@H](C)OC1CCCC1 dd2c32683ab51dc2c81e9efd79aba33a [0,2,0,1,0,0|0,0,1]=4 34362 B12R1.53 CC(CCC#N)OC1CCCC1 155d56dc39b877fd5750e7a0170b9193 [0,2,0,1,0,0|0,0,1]=4 34363 B12R1.53 CC(CCCO)NC1CCCC1 dbc368fc18c4153f4bbfed09f8e500a4 [0,2,0,1,0,0|1,0,0]=4 34364 B12R1.53 CCC#CC(C)OC1CCCC1 232d211e2d43a1f189c7593b3b2c6468 [0,2,0,1,0,0|0,0,1]=4 34365 B12R1.53 CCCCC(=O)NC1CCCC1 ffe0944aa7dffceb8b72efd3831dfd91 [0,2,0,1,0,0|1,0,0]=4 34366 B12R1.53 CCCCC(C)NC1CCCC1 27c48a8a02d0cf16b9616dd6016f697b [0,2,0,1,0,0|1,0,0]=4 34367 B12R1.53 CCCCC(C)NC1CCOC1 038626c1fdfab5c48497142001471cd2 [0,2,0,1,0,0|1,0,0]=4 34368 B12R1.53 CCCCC(C)NC1CCSC1 ed2e02e6979f6f02a61822efbbdeb97b [0,2,0,1,0,0|1,0,0]=4 34369 B12R1.53 CCCCC(C)N[C@@H]1CCOC1 bce232bf0fb8d5fc63af763f6ae60826 [0,2,0,1,0,0|1,0,0]=4 34370 B12R1.53 CCCCC(C)N[C@H]1CCOC1 7cc9d9449a8cd3d0f41c5f0c65d1661e [0,2,0,1,0,0|1,0,0]=4 34371 B12R1.53 CCCCC(C)OC1C=CCC1 b16162fecfdc2fa2f33bbc2f938db5aa [0,2,0,1,0,0|0,0,1]=4 34372 B12R1.53 CCCCC(C)OC1CC=CC1 153449c44cabccf1800547d9b71cdf9b [0,2,0,1,0,0|0,0,1]=4 34373 B12R1.53 CCCCC(C)OC1CCCC1 b7b2b5893f027f6519bdbab30305014d [0,2,0,1,0,0|0,0,0]=3 34374 B12R1.53 CCCCC(C)OC1CCCO1 9a25514ae7c4457c65ea127ac3e9c16d [0,2,0,1,0,0|0,0,0]=3 34375 B12R1.53 CCCCC(C)OC1CCOC1 51458fcf40b2665d9e8f445e2939e691 [0,2,0,1,0,0|0,0,0]=3 34376 B12R1.53 CCCCC(C)OC1CCSC1 dc55a38e31b649ca40e00b8d2e85be6a [0,2,0,1,0,0|0,0,0]=3 34377 B12R1.53 CCCCC(C)O[C@@H]1CCOC1 7d4bb09a3693c43e0269d877dce88caa [0,2,0,1,0,0|0,0,0]=3 34378 B12R1.53 CCCCC(C)O[C@@H]1CCSC1 7f6478dc6ea30ab4d301441e3b6bc0e2 [0,2,0,1,0,0|0,0,0]=3 34379 B12R1.53 CCCCC(C)O[C@H]1CCOC1 0074a1ff1db88e1fe3f6f58c871dd7c1 [0,2,0,1,0,0|0,0,0]=3 34380 B12R1.53 CCCCC(C)O[C@H]1CCSC1 237b0d6b92144c5d28c2e902db8f3565 [0,2,0,1,0,0|0,0,0]=3 34381 B12R1.53 CCCCN(C)CC1CCCC1 57967b04ac46a1c91967372b3b24303e [0,2,0,1,0,0|1,0,0]=4 34382 B12R1.53 CCCCN(C)CC1CCCO1 7359feee174f5a3d99affc1086000470 [0,2,0,1,0,0|1,0,0]=4 34383 B12R1.53 CCCCN(C)CC1CCOC1 3125489cf6cf0f577f1e1a98f8fbd819 [0,2,0,1,0,0|1,0,0]=4 34384 B12R1.53 CCCC[C@@H](C)NC1CCCC1 c1348e490500cb9543d5c414c8d84b47 [0,2,0,1,0,0|1,0,0]=4 34385 B12R1.53 CCCC[C@@H](C)NC1CCOC1 e76dbe7c2730459d1256397f3ab6a4cf [0,2,0,1,0,0|1,0,0]=4 34386 B12R1.53 CCCC[C@@H](C)N[C@@H]1CCOC1 b745cce8a5d03c9ceb8ac99bc32a7da7 [0,2,0,1,0,0|1,0,0]=4 34387 B12R1.53 CCCC[C@@H](C)N[C@H]1CCOC1 eab9c753c3498ab23c916a6496f39153 [0,2,0,1,0,0|1,0,0]=4 34388 B12R1.53 CCCC[C@@H](C)OC1CCCC1 35a8b240bb2585feb952a31ef4f087d5 [0,2,0,1,0,0|0,0,0]=3 34389 B12R1.53 CCCC[C@@H](C)OC1CCOC1 55802371466dc50a7bf01fbf16bd39fd [0,2,0,1,0,0|0,0,0]=3 34390 B12R1.53 CCCC[C@@H](C)O[C@@H]1CCOC1 2e244f26014a42be9e1ed9421d33c84f [0,2,0,1,0,0|0,0,0]=3 34391 B12R1.53 CCCC[C@@H](C)O[C@H]1CCOC1 dd3ebf54096b2c87d27f3dd6400f0469 [0,2,0,1,0,0|0,0,0]=3 34392 B12R1.53 CCCC[C@H](C)OC1CCCC1 750dea1bcd34e3cd41b1897004584d63 [0,2,0,1,0,0|0,0,0]=3 34393 B12R1.53 CCCC[C@H](C)OC1CCOC1 242bc95deadc60855b4a06714b55e973 [0,2,0,1,0,0|0,0,0]=3 34394 B12R1.53 CCCC[C@H](C)O[C@@H]1CCOC1 7061681e146cc509b4f50db4a938c378 [0,2,0,1,0,0|0,0,0]=3 34395 B12R1.53 CCCC[C@H](C)O[C@H]1CCOC1 21c19e34230fe8ebd2e8791dfafee961 [0,2,0,1,0,0|0,0,0]=3 34396 B12R1.53 CCCNC(C)CC1CCCC1 9cc7a7ee29e4543c3d6c0d9cf9bc0156 [0,2,0,1,0,0|1,0,0]=4 34397 B12R1.53 CCCNC(C)CN1CCCC1 7b9fba64719e890f43d1e464a5328e6c [0,2,0,1,0,0|1,0,0]=4 34398 B12R1.53 CCCOC(C)CN1CCCC1 581a95cf7b2f8dd5672554c22301470d [0,2,0,1,0,0|1,0,0]=4 34399 B12R1.53 CCCO[C@@H](C)CN1CCCC1 79bff72285ff99591ec857bbe329a857 [0,2,0,1,0,0|1,0,0]=4 34400 B12R1.53 CCCO[C@H](C)CN1CCCC1 be285e96cc0c9d1b550fba467258b0a5 [0,2,0,1,0,0|1,0,0]=4 34401 B12R1.53 CCNCC(=O)OC1CCCC1 51ab5c2281a6d5777297a8ad97e1e293 [0,2,0,1,0,0|0,0,1]=4 34402 B12R1.53 CCNCC(C)CN1CCCC1 5ff605fc11814b4c5ae0cdea118ee221 [0,2,0,1,0,0|1,0,0]=4 34403 B12R1.53 CCNCC(O)CN1CCCC1 14fb83ab45e4bd9131f8368265cea119 [0,2,0,1,0,0|1,0,0]=4 34404 B12R1.53 CCOCC(C)CC1CCCC1 ca2cbc78b50207d3af0dc0b36b4d9b1a [0,2,0,1,0,0|1,0,0]=4 34405 B12R1.53 CCOCC(C)CN1CCCC1 ecc48a7e557ff006ebc55eb79a76d2f6 [0,2,0,1,0,0|1,0,0]=4 34406 B12R1.53 CCOCC(C)OC1CCCC1 f909e4d36391321039e8c58f79232cdb [0,2,0,1,0,0|0,0,0]=3 34407 B12R1.53 CCOCC(C)OC1CCOC1 df3672cd599c150e6be78f5c298304fa [0,2,0,1,0,0|1,0,0]=4 34408 B12R1.53 CCOCC(C)O[C@@H]1CCOC1 98f53bfdb12bd45dc5a1687065b0fffa [0,2,0,1,0,0|1,0,0]=4 34409 B12R1.53 CCOCC(C)O[C@H]1CCOC1 f977bea3db7c5b6f1feae1c0233f7ab4 [0,2,0,1,0,0|1,0,0]=4 34410 B12R1.53 COCCC(C)OC1CCCC1 7bb3166f99093fecdc08c5b657dd2cb2 [0,2,0,1,0,0|0,0,0]=3 34411 B12R1.53 COCCC(C)OC1CCOC1 e26db184e69e5c25e23c336fa680f240 [0,2,0,1,0,0|1,0,0]=4 34412 B12R1.53 COCCC(C)O[C@@H]1CCOC1 9d7dfb68b452a873f4557d42dde8554b [0,2,0,1,0,0|1,0,0]=4 34413 B12R1.53 COCCC(C)O[C@H]1CCOC1 fd9f3e3fcbf8216c7f778ae0f73ca5c6 [0,2,0,1,0,0|1,0,0]=4 34414 B12R1.53 C[C@H](CCCO)NC1CCCC1 477b801d4aca7cfa74ef9d8d6aacf176 [0,2,0,1,0,0|1,0,0]=4 34415 B12R1.321 CCCCN1CCCCC(C1)O 1e14194b6903d7a146bf2c590eba9a6b [0,2,0,1,0,0|1,0,0]=4 34416 B12R1.321 CCCCN1CCCC[C@H](C1)O 4f9b1d12ad51123f80bcedce1998373b [0,2,0,1,0,0|1,0,0]=4 34417 B12R1.321 CCCCN1CCCOC(C1)C 4f806c4589a7ac3e025c7e9002f47bec [0,2,0,1,0,0|1,0,0]=4 34418 B12R1.321 CCCCN1CCOCC(C1)F ff9a192147c0f9d2ef26ad5762906d6f [0,2,0,1,0,0|1,0,0]=4 34419 B12R1.321 CCCCN1CCOCC(C1)O 94634376bda6c9f62e83aee3575e8d71 [0,2,0,1,0,0|1,0,0]=4 34420 B12R1.321 CCCCN1CCOC[C@@H](C1)F 5421cf1105b8d5492c5c5e8af1c03b84 [0,2,0,1,0,0|1,0,0]=4 34421 B12R1.321 CCCCN1CCOC[C@@H](C1)O 43e5af838b7ec4cce661a32bccbead68 [0,2,0,1,0,0|1,0,0]=4 34422 B12R1.321 CCCCN1CCOC[C@H](C1)F 64d917970c44d3f0d751c47477b33f5d [0,2,0,1,0,0|1,0,0]=4 34423 B12R1.321 CCCCN1CCOC[C@H](C1)O 2812faa21eb55a60e17b3ec296e7032e [0,2,0,1,0,0|1,0,0]=4 34424 B12R1.321 CCCNC1CCCCN(C1)C b7e60b4555b17113a8a8ef8b792d7b6d [0,2,0,1,0,0|1,0,0]=4 34425 B12R1.321 CCCNC1COCCN(C1)C e1e02862a3580bb696fb8a110c77faaf [0,2,0,1,0,0|1,0,0]=4 34426 B12R1.321 CCCN[C@@H]1CCCCN(C1)C b2aec5a2d6712c82f94b6871a9255d74 [0,2,0,1,0,0|1,0,0]=4 34427 B12R1.321 CCCN[C@@H]1COCCN(C1)C b3100ff72dfd60754cda1fc3af865ecd [0,2,0,1,0,0|1,0,0]=4 34428 B12R1.321 CCCN[C@H]1CCCCN(C1)C 303559fe28f8bdcbd2f94c05cc874617 [0,2,0,1,0,0|1,0,0]=4 34429 B12R1.321 CCCN[C@H]1COCCN(C1)C e7dcf4725d59cd49f5cc3b13a5ea4f82 [0,2,0,1,0,0|1,0,0]=4 34430 B12R1.321 CCCOC1COCCN(C1)C 5dacecdca57addcab7f517cff2afdb35 [0,2,0,1,0,0|1,0,0]=4 34431 B12R1.321 CCCO[C@@H]1COCCN(C1)C 1d427de1273a83770dba9528d027713a [0,2,0,1,0,0|1,0,0]=4 34432 B12R1.321 CCCO[C@H]1COCCN(C1)C cd093139e5f6edadee195e6e9732c208 [0,2,0,1,0,0|1,0,0]=4 34433 B12R1.460 CC(CCCO)N1CCCC1C 2dfa9bb3f82b67415735ba98373f5e5c [0,2,0,1,0,0|1,0,0]=4 34434 B12R1.460 CC(CCCO)N1CCC[C@@H]1C f2a2b4a7b2c96096050a509ec22e086f [0,2,0,1,0,0|1,0,0]=4 34435 B12R1.460 CC(CCCO)N1CCC[C@H]1C e3cef92840d8fca9406932e5ac025550 [0,2,0,1,0,0|1,0,0]=4 34436 B12R1.460 CCCCC(=O)N1CCCC1C 0e685beda1e3f942c1d396019f13eace [0,2,0,1,0,0|1,0,0]=4 34437 B12R1.460 CCCCC(=O)N1CCC[C@@H]1C ff6830781dd2398e65d557bbf6a92b09 [0,2,0,1,0,0|1,0,0]=4 34438 B12R1.460 CCCCC(=O)N1CCC[C@H]1C 7cd825f92b5fd2c2a80cf77f89d0bab0 [0,2,0,1,0,0|1,0,0]=4 34439 B12R1.460 CCCCC(C)N1CCCC1C 5f7f6933af6f97fd2204975733cc4875 [0,2,0,1,0,0|1,0,0]=4 34440 B12R1.460 CCCCC(C)N1CCCC1O 677d42eb7b9e4ac8e3d025ff204bcb30 [0,2,0,1,0,0|1,0,0]=4 34441 B12R1.460 CCCCC(C)N1CCC[C@@H]1C 959ae444c182d8b82bda994eebbd2c9b [0,2,0,1,0,0|1,0,0]=4 34442 B12R1.460 CCCCC(C)N1CCC[C@H]1C 7fc8d04307c9286c1ac4457432412664 [0,2,0,1,0,0|1,0,0]=4 34443 B12R1.460 CCCCC(C)N1CCSC1C 41f74d5b3aded78b21cbafe78ac9ae31 [0,2,0,1,0,0|1,0,0]=4 34444 B12R1.460 CCCCN(C)C1CCCC1O 37ddba3ec6c2662468f355e7346cdab2 [0,2,0,1,0,0|1,0,0]=4 34445 B12R1.460 CCCCN(C)[C@@H]1CCC[C@@H]1O 4652e6d1d16c811b1850e49a3265772a [0,2,0,1,0,0|1,0,0]=4 34446 B12R1.460 CCCCN(C)[C@@H]1CCC[C@H]1O b16599fbd63f80f09d00714e0daaf312 [0,2,0,1,0,0|1,0,0]=4 34447 B12R1.460 CCCCN(C)[C@H]1CCC[C@@H]1O c216b67d952add99f70276db011f1874 [0,2,0,1,0,0|1,0,0]=4 34448 B12R1.460 CCCCN(C)[C@H]1CCC[C@H]1O acf2db26d503e8aeac5a5ef0c6a24cbc [0,2,0,1,0,0|1,0,0]=4 34449 B12R1.462 CCCCC(C)NC1CC(C1)F 1af9f23ca354532ff9ef9484c2ff4867 [0,2,0,1,0,0|1,0,0]=4 34450 B12R1.462 CCCCC(C)NC1CC(C1)O e930856c2b8be721379315eb893d0fd4 [0,2,0,1,0,0|1,0,0]=4 34451 B12R1.462 CCCCC(C)N[C@H]1C[C@@H](C1)F 5a27d24b519e04d60511cd0efb892b06 [0,2,0,1,0,0|1,0,0]=4 34452 B12R1.462 CCCCC(C)N[C@H]1C[C@@H](C1)O 6a5a0f0341cfdb96e4718776af28de6f [0,2,0,1,0,0|1,0,0]=4 34453 B12R1.462 CCCCC(C)N[C@H]1C[C@H](C1)F 7d6ca5068da831fd7d9ccf20a5129bf5 [0,2,0,1,0,0|1,0,0]=4 34454 B12R1.462 CCCCC(C)N[C@H]1C[C@H](C1)O 5730159fb768ffa21325105ec405fa0f [0,2,0,1,0,0|1,0,0]=4 34455 B12R1.462 CCCCC(C)OC1CC(C1)C 1fe30c77d9bb407993d7eb0de1c29031 [0,2,0,1,0,0|0,0,0]=3 34456 B12R1.462 CCCCC(C)OC1CC(C1)F 04634cec25dda4a48493f7959c7d7671 [0,2,0,1,0,0|0,0,0]=3 34457 B12R1.462 CCCCC(C)OC1CN(C1)C b97544947898da7ade0b6ec74d8851a8 [0,2,0,1,0,0|1,0,0]=4 34458 B12R1.462 CCCCC(C)O[C@H]1C[C@@H](C1)F 563d02154ec7627a059b7e4ed4402e7c [0,2,0,1,0,0|0,0,0]=3 34459 B12R1.462 CCCCC(C)O[C@H]1C[C@H](C1)F 075a878b225171866d9fc366da422b1c [0,2,0,1,0,0|0,0,0]=3 34460 B12R1.462 CCCCN(C)CC1CC(C1)C 81d849328081564e13fd63522e7ece3d [0,2,0,1,0,0|1,0,0]=4 34461 B12R1.462 CCCCN(C)CC1CC(C1)O ad9d285d1790d9339adcaabdc4344c86 [0,2,0,1,0,0|1,0,0]=4 34462 B12R1.462 CCCCN(C)C[C@H]1C[C@H](C1)F cd6731ac0e4a9ce9ff0e415a26a7f5f5 [0,2,0,1,0,0|1,0,0]=4 34463 B12R1.462 CCCC[C@@H](C)NC1CC(C1)O e08de54e133010af0245490cf0d774a4 [0,2,0,1,0,0|1,0,0]=4 34464 B12R1.466 CCCCC(C)N[C@@H]1C[C@@H]1OC 99d7c64879b839f196fbac7b9387900e [0,2,0,1,0,0|1,0,0]=4 34465 B12R1.466 CCCCC(C)N[C@@H]1C[C@H]1CO 4b9b915d6fb2a1c9c56ec98cf5191962 [0,2,0,1,0,0|1,0,0]=4 34466 B12R1.466 CCCCC(C)N[C@H]1C[C@@H]1CO e1accae8d5e44808bd010a347864bcbd [0,2,0,1,0,0|1,0,0]=4 34467 B12R1.466 CCCCC(C)N[C@H]1C[C@H]1CO 736be0d0c9f5739e73eb2c993fa55485 [0,2,0,1,0,0|1,0,0]=4 34468 B12R1.466 CCCCC(C)OC1CC1C=O 2e45d97604af376de0e1d18412c366af [0,2,0,1,0,0|0,0,1]=4 34469 B12R1.466 CCCC[C@@H](C)OC1CC1C=O ff24a0595eef639f1aa1003e36b2e090 [0,2,0,1,0,0|0,0,1]=4 34470 B12R1.466 CCCC[C@H](C)OC1CC1C=O 666a56dc76a29e63984ce8e09d3ade57 [0,2,0,1,0,0|0,0,1]=4 34471 B12R1.519 CCCC(C)CN(C)C1CCC1 01e0259ca4e604ada2e3049a608fa0d1 [0,2,0,1,0,0|1,0,0]=4 34472 B12R1.519 CCCC(C)OC(C)C1CCC1 0d7e4adda8355ba322895d18afaf24b4 [0,2,0,1,0,0|0,0,0]=3 34473 B12R1.519 CCCC(C)OC(C)C1COC1 dc931cd103ab3063d3dfe283367acb11 [0,2,0,1,0,0|1,0,0]=4 34474 B12R1.519 CCCC(C)O[C@@H](C)C1CCC1 38b817b33763d60788c34c9890aee55f [0,2,0,1,0,0|0,0,0]=3 34475 B12R1.519 CCCC(C)O[C@@H](C)C1COC1 9552e144d862aaaa8ebb62fac614947d [0,2,0,1,0,0|1,0,0]=4 34476 B12R1.519 CCCC(C)O[C@H](C)C1COC1 90f4f0b304603172415076d31bf3fbf8 [0,2,0,1,0,0|1,0,0]=4 34477 B12R1.519 COCC(C)OC(C)C1CCC1 94e7948d030a1c7fb29e3cab8696f6fb [0,2,0,1,0,0|1,0,0]=4 34478 B12R1.519 COCC(C)O[C@@H](C)C1CCC1 51cff2a31c8287e9b3273e0d798036bf [0,2,0,1,0,0|1,0,0]=4 34479 B12R1.521 CCCC(C)CN(C)CC1CC1 4f73247128fdfbf303b935276817dcba [0,2,0,1,0,0|1,0,0]=4 34480 B12R1.521 CCCC(C)OC(C)CC1CC1 88b2a47de368d2a1c8a89f88dfac6d8a [0,2,0,1,0,0|0,0,0]=3 34481 B12R1.521 COCC(C)OC(C)CC1CC1 df137bc77719e23321976b8d132fc305 [0,2,0,1,0,0|1,0,0]=4 34482 B12R1.841 CCCCC(C)NC(C)C1CC1 b0239b9e0a6c192dd2265fb0e5e0d526 [0,2,0,1,0,0|1,0,0]=4 34483 B12R1.841 CCCCC(C)N[C@@H](C)C1CC1 baab1a78a3dba4e81cb45a4b0e8d6ef6 [0,2,0,1,0,0|1,0,0]=4 34484 B12R1.841 CCCCC(C)N[C@H](C)C1CC1 f084dc47a94ce3ada11d5f3986fe0d92 [0,2,0,1,0,0|1,0,0]=4 34485 B12R1.841 CCCCC(C)OC(C)C1CC1 c6ade76444d098ca0882eaab263eed8d [0,2,0,1,0,0|0,0,0]=3 34486 B12R1.841 CCCCC(C)O[C@@H](C)C1CC1 2e3b4b47e0eedd2587cd97836b502eb4 [0,2,0,1,0,0|0,0,0]=3 34487 B12R1.841 CCCCC(C)O[C@H](C)C1CC1 4ad21f526e9ea0ebb1418a9ff92c9d91 [0,2,0,1,0,0|0,0,0]=3 34488 B12R1.841 CCCCN(C)CC(O)C1CC1 d425944c3cd5f1727f7de8af8729cce9 [0,2,0,1,0,0|1,0,0]=4 34489 B12R1.841 CCCC[C@@H](C)NC(C)C1CC1 2e63fa7afc448fee7a5a02475c628739 [0,2,0,1,0,0|1,0,0]=4 34490 B12R1.841 CCCC[C@@H](C)OC(C)C1CC1 abfda54728bda626182a247515cc71ad [0,2,0,1,0,0|0,0,0]=3 34491 B12R1.841 CCCC[C@H](C)OC(C)C1CC1 be6eeca85c64ee2b29ea430bace0169d [0,2,0,1,0,0|0,0,0]=3 34492 B12R1.841 CCOCC(C)OC(C)C1CC1 7baaa6c972bc6f8b2f90e37dd69107b3 [0,2,0,1,0,0|1,0,0]=4 34493 B12R1.841 COCCC(C)OC(C)C1CC1 07c5781b9c8714bfb18c0db357d5cc50 [0,2,0,1,0,0|1,0,0]=4 34494 B12R1.1589 CCCC(C)N1C(CCC1C)C 9568adf45ecc5446cf5f579fa0b4102a [0,2,0,1,0,0|1,0,0]=4 34495 B12R1.1589 CCCC(C)N1[C@@H](CC[C@@H]1C)C 0b4f496761d607feb8ae3403f57a0be7 [0,2,0,1,0,0|1,0,0]=4 34496 B12R1.1589 CCCC(C)N1[C@@H](CC[C@H]1C)C f2a68ac15a651fc5ad3937b95dde08eb [0,2,0,1,0,0|1,0,0]=4 34497 B12R1.1589 CCCC(C)N1[C@H](CC[C@@H]1C)C 5cb1aad505134ffb02bd49ae52a25aa7 [0,2,0,1,0,0|1,0,0]=4 34498 B12R1.1618 CCCC(C)NC1(CCCC1)C f70ee54a13b614433afb26c62d2b477d [0,2,0,1,0,0|1,0,0]=4 34499 B12R1.1621 CCCC(C)CN1CC(C1)CC c4a5bc87a088a49a2e5386d050fa871f [0,2,0,1,0,0|1,0,0]=4 34500 B12R1.1621 CCCC(C)OC1CC(C1)OC 3b869c5bce5428cf35dc412a4bc33432 [0,2,0,1,0,0|1,0,0]=4 34501 B12R1.1621 CCCC(C)OC1CN(C1)CC 6dd44db75cfcdda3e1455b0fd0359d95 [0,2,0,1,0,0|1,0,0]=4 34502 B12R1.1621 CCCC(C)O[C@H]1C[C@@H](C1)OC 43ec6a4eb57f91d41f1303b1bf647641 [0,2,0,1,0,0|1,0,0]=4 34503 B12R1.1621 CCCC(C)O[C@H]1C[C@H](C1)CF 0fd4f8d8237a623e319b8daad9218841 [0,2,0,1,0,0|1,0,0]=4 34504 B12R1.1621 CCCC(C)O[C@H]1C[C@H](C1)OC f42d06e6f02b6762dbefacaf3642d691 [0,2,0,1,0,0|1,0,0]=4 34505 B12R1.1621 CCC[C@@H](C)OC1CC(C1)OC cf3055d1442c1b2ccd3826e15bcf9621 [0,2,0,1,0,0|1,0,0]=4 34506 B12R1.1621 CCC[C@@H](C)O[C@H]1C[C@@H](C1)OC d9a73505c71d8d7d656fe9d111a55303 [0,2,0,1,0,0|1,0,0]=4 34507 B12R1.1621 CCC[C@H](C)OC1CC(C1)OC d9f70dc4da6215b47e460e7162392167 [0,2,0,1,0,0|1,0,0]=4 34508 B12R1.1621 CCC[C@H](C)O[C@H]1C[C@@H](C1)OC 9e48392055400002a682317a0a34d57b [0,2,0,1,0,0|1,0,0]=4 34509 B12R1.2031 CCCCC(C)N1C(CC1C)C e1f9c2a1ec43ca5c5b1ce7b67a5ee88d [0,2,0,1,0,0|1,0,0]=4 34510 B12R1.2031 CCCCC(C)N1[C@@H](C[C@@H]1C)C d73fc33764dbfb48183dc8ce898479f6 [0,2,0,1,0,0|1,0,0]=4 34511 B12R1.2031 CCCCC(C)N1[C@@H](C[C@H]1C)C 3cdea8459164a7908d6fe2c511e0c91d [0,2,0,1,0,0|1,0,0]=4 34512 B12R1.2031 CCCCC(C)N1[C@H](C[C@@H]1C)C 99cf84603b73b9515b26746f7da55360 [0,2,0,1,0,0|1,0,0]=4 34513 B12R1.2044 CCCCC(C)NC1(CCC1)C 397a3e4cba5b5a44d9a25c99fd0635ee [0,2,0,1,0,0|1,0,0]=4 34514 B12R1.2044 CCCCN(C)CC1(CCC1)C 3b865b94672597631623a83da549e461 [0,2,0,1,0,0|1,0,0]=4 34515 B12R1.2044 CCCCN(C)CC1(CCC1)O e9d2faf9e124991de0d90ad33f1a7139 [0,2,0,1,0,0|1,0,0]=4 34516 B12R1.17 CCCC(C)N1CCCC(C1)C 16448cb22fe1c84e445171e40de951eb [0,2,0,1,0,0|1,0,0]=4 34517 B12R1.17 CCCC(C)N1CCCC(C1)F 2123beb61a2d5a51f427d490d4c46cde [0,2,0,1,0,0|1,0,0]=4 34518 B12R1.17 CCCC(C)N1CCCC(C1)O d2e6d46a5d2125c2943bd2780f9c3fe1 [0,2,0,1,0,0|1,0,0]=4 34519 B12R1.17 CCCC(C)N1CCC[C@@H](C1)C 9ffcf3564366d8c4e9f6737257806585 [0,2,0,1,0,0|1,0,0]=4 34520 B12R1.17 CCCC(C)N1CCC[C@@H](C1)F d9e16659d0a7a9fe26bb1cf4fdbacb61 [0,2,0,1,0,0|1,0,0]=4 34521 B12R1.17 CCCC(C)N1CCC[C@@H](C1)O 6cc3060cbadeabfe1e44ed13157dac2f [0,2,0,1,0,0|1,0,0]=4 34522 B12R1.17 CCCC(C)N1CCC[C@H](C1)C c0a1823fe1637645d68c719b31a7da5a [0,2,0,1,0,0|1,0,0]=4 34523 B12R1.17 CCCC(C)N1CCC[C@H](C1)F f96394dad7eb49a799e7a5a385d95afd [0,2,0,1,0,0|1,0,0]=4 34524 B12R1.17 CCCC(C)N1CCC[C@H](C1)O 947c0932f5bbc049622a7c02d24acc90 [0,2,0,1,0,0|1,0,0]=4 34525 B12R1.178 CCCC1CN(C1)C(C)CCC de373e79ece61bef652a3facb45655ed [0,2,0,1,0,0|1,0,0]=4 34526 B12R1.313 CCCC(C)N1C[C@@H](C[C@@H]1C)F 625b45e7146329fdbf95e343f0ec9b48 [0,2,0,1,0,0|1,0,0]=4 34527 B12R1.313 CCCC(C)N1C[C@@H](C[C@@H]1C)O 29f429670568543fcf152fe28ebabe5f [0,2,0,1,0,0|1,0,0]=4 34528 B12R1.313 CCCC(C)N1C[C@@H](C[C@H]1C)F 3c3838ae453c6bfc2825fe690fb53050 [0,2,0,1,0,0|1,0,0]=4 34529 B12R1.313 CCCC(C)N1C[C@@H](C[C@H]1C)O c4e98fc24eb2797acde4666175f30ce6 [0,2,0,1,0,0|1,0,0]=4 34530 B12R1.313 CCCC(C)N1C[C@H](C[C@@H]1C)F d9dbfc5da3b09c2ef60f1601201e770e [0,2,0,1,0,0|1,0,0]=4 34531 B12R1.313 CCCC(C)N1C[C@H](C[C@@H]1C)O 3a92b7ce696102cc662c66ee129830cb [0,2,0,1,0,0|1,0,0]=4 34532 B12R1.313 CCCC(C)N1C[C@H](C[C@H]1C)F bb8440a84a508c4e934c6aad9e59461e [0,2,0,1,0,0|1,0,0]=4 34533 B12R1.313 CCCC(C)N1C[C@H](C[C@H]1C)O 85b42a6007c4ac6ec73b3112c02de3a2 [0,2,0,1,0,0|1,0,0]=4 34534 B12R1.467 C=C1CC(C1)COC(C)CCC c94950d0d5deea0f47c20efc6815d3bc [0,2,0,1,0,0|0,0,1]=4 34535 B12R1.467 C=C1CC(C1)CO[C@@H](C)CCC 345ee7ccef78334c47711978bba58a34 [0,2,0,1,0,0|0,0,1]=4 34536 B12R1.467 C=C1CC(C1)CO[C@H](C)CCC 45a7f640d56712a14d3b7220d5e97b40 [0,2,0,1,0,0|0,0,1]=4 34537 B12R1.467 CC1CC(C1)OC[C@@H](O)CCO a1c7d3975f3bc285b28cb0492fd2c787 [0,2,0,1,0,0|1,0,0]=4 34538 B12R1.467 CCCC(=O)COC1CC(C1)C af35c1916ac31bdd3b7c4039812dc80d [0,2,0,1,0,0|0,0,1]=4 34539 B12R1.467 CCCC(=O)COC1CC(C1)F 0f062c1a5e7c2e017ebaf9b13a28ab4f [0,2,0,1,0,0|0,0,1]=4 34540 B12R1.467 CCCC(=O)CO[C@H]1C[C@@H](C1)F 9b1dbc55361e1e801849cadfe7099c65 [0,2,0,1,0,0|0,0,1]=4 34541 B12R1.467 CCCC(=O)CO[C@H]1C[C@H](C1)F 21d07924c79e761ebb86fdb2fab04f67 [0,2,0,1,0,0|0,0,1]=4 34542 B12R1.467 CCCC(=S)OCC1CC(C1)C 5301c7922cf33270ed5f9f78b04c849d [0,2,0,1,0,0|0,0,1]=4 34543 B12R1.467 CCCC(=S)OC[C@H]1C[C@H](C1)F 06d5b26c7b6ccecd5f4891765ebfd3e4 [0,2,0,1,0,0|0,0,1]=4 34544 B12R1.467 CCCC(C)CNC1CC(C1)F 1ad3ca48ecfdb082c9c51e7c7468fe0a [0,2,0,1,0,0|1,0,0]=4 34545 B12R1.467 CCCC(C)CNC1CC(C1)O 0031adf508ae10317a80c322cb187fe9 [0,2,0,1,0,0|1,0,0]=4 34546 B12R1.467 CCCC(C)CN[C@H]1C[C@@H](C1)F 0718bb1edc80a3bcbe9fdaa826bbabe9 [0,2,0,1,0,0|1,0,0]=4 34547 B12R1.467 CCCC(C)CN[C@H]1C[C@@H](C1)O c24117f3f05a04594c1f94bc787c127f [0,2,0,1,0,0|1,0,0]=4 34548 B12R1.467 CCCC(C)CN[C@H]1C[C@H](C1)F f42f05308cb766b7de1e231566640d38 [0,2,0,1,0,0|1,0,0]=4 34549 B12R1.467 CCCC(C)CN[C@H]1C[C@H](C1)O ad33ff155f9c2a5117879fa1d72cd484 [0,2,0,1,0,0|1,0,0]=4 34550 B12R1.467 CCCC(C)COC1CC(=O)C1 0cef0fffb3a93f1735a5ed507ecf2102 [0,2,0,1,0,0|0,0,1]=4 34551 B12R1.467 CCCC(C)COC1CC(C1)C 0453c065ed511a330f6061e9df628daa [0,2,0,1,0,0|0,0,0]=3 34552 B12R1.467 CCCC(C)COC1CC(C1)F 74405f1765e885108b3fa67f505cfa67 [0,2,0,1,0,0|0,0,0]=3 34553 B12R1.467 CCCC(C)COC1CN(C1)C f7be946d99bc37277d9a61453b3a02a9 [0,2,0,1,0,0|1,0,0]=4 34554 B12R1.467 CCCC(C)CO[C@H]1C[C@@H](C1)F 5b5be4e2e53158c70e5e6e0c76fe9427 [0,2,0,1,0,0|0,0,0]=3 34555 B12R1.467 CCCC(C)CO[C@H]1C[C@H](C1)F 17f1b921dfd186e9a6678ef6b87e6dad [0,2,0,1,0,0|0,0,0]=3 34556 B12R1.467 CCCC(C)NCC1CC(C1)C fcf9795e9d64ec790562d0cb286c7c41 [0,2,0,1,0,0|1,0,0]=4 34557 B12R1.467 CCCC(C)NCC1CC(C1)O a2e95ef2fddd4fed286f7faaeac4b33c [0,2,0,1,0,0|1,0,0]=4 34558 B12R1.467 CCCC(C)NC[C@H]1C[C@@H](C1)O 161685b2a39031c8498c148fbc684d92 [0,2,0,1,0,0|1,0,0]=4 34559 B12R1.467 CCCC(C)NC[C@H]1C[C@H](C1)F 17f660e93ebb105b03285b1b118c1fb2 [0,2,0,1,0,0|1,0,0]=4 34560 B12R1.467 CCCC(C)NC[C@H]1C[C@H](C1)O 2704177e816cad894ce6c137a3904ac0 [0,2,0,1,0,0|1,0,0]=4 34561 B12R1.467 CCCC(C)OCC1CC(=O)C1 9c517d9c2b747d6da97632f0090be6ad [0,2,0,1,0,0|0,0,1]=4 34562 B12R1.467 CCCC(C)OCC1CC(C1)C 295c9d85f70e46c4a94b9ba010abb866 [0,2,0,1,0,0|0,0,0]=3 34563 B12R1.467 CCCC(C)OCC1CC(C1)F 162a6ffa0aab089611ef1e0d63075bf2 [0,2,0,1,0,0|0,0,0]=3 34564 B12R1.467 CCCC(C)OCC1CN(C1)C 51d6f64ac850c2f847695069c30d6af6 [0,2,0,1,0,0|1,0,0]=4 34565 B12R1.467 CCCC(C)OC[C@H]1C[C@@H](C1)C bbb058f6d5a2a1ac3ac209ef81bd3201 [0,2,0,1,0,0|0,0,0]=3 34566 B12R1.467 CCCC(C)OC[C@H]1C[C@H](C1)F 2094be04c01fa6ed00cb14214b67d209 [0,2,0,1,0,0|0,0,0]=3 34567 B12R1.467 CCCC(O)CNC1CC(C1)O 46b8139970638b96b00d388e429e3310 [0,2,0,1,0,0|1,0,0]=4 34568 B12R1.467 CCC[C@@H](C)OCC1CC(=O)C1 1413db9fe302391ad937bfde91bfad2b [0,2,0,1,0,0|0,0,1]=4 34569 B12R1.467 CCC[C@@H](C)OCC1CC(C1)C 0369e9c294f051fb327da37e8ba93772 [0,2,0,1,0,0|0,0,0]=3 34570 B12R1.467 CCC[C@@H](C)OC[C@H]1C[C@H](C1)F 5a63ac880890344e0389d4c61fca3c2a [0,2,0,1,0,0|0,0,0]=3 34571 B12R1.467 CCC[C@H](C)NCC1CC(C1)C ef9205c429aaf4803dbffd25ba5142c6 [0,2,0,1,0,0|1,0,0]=4 34572 B12R1.467 CCC[C@H](C)NCC1CC(C1)O dc171a80fa1e6d555a6f397a63e0c17a [0,2,0,1,0,0|1,0,0]=4 34573 B12R1.467 CCC[C@H](C)NC[C@H]1C[C@H](C1)F 7812975de539a24381dbad9497314fea [0,2,0,1,0,0|1,0,0]=4 34574 B12R1.467 CCC[C@H](C)OCC1CC(=O)C1 44752c3462d0a4b47f03c0677ed2857f [0,2,0,1,0,0|0,0,1]=4 34575 B12R1.467 CCC[C@H](C)OCC1CC(C1)C dad4c410cec204a7e852a800e69b2282 [0,2,0,1,0,0|0,0,0]=3 34576 B12R1.467 CCC[C@H](C)OC[C@H]1C[C@H](C1)F 16af533cdce8c379e33478ebc20175e9 [0,2,0,1,0,0|0,0,0]=3 34577 B12R1.467 COCC(C)OCC1CC(C1)C 3cea40e95a266ab2ad16ea3df04a470c [0,2,0,1,0,0|1,0,0]=4 34578 B12R1.467 COCC(C)OCC1CC(C1)F 01795f6aa2810cb901a4698be350c3b5 [0,2,0,1,0,0|1,0,0]=4 34579 B12R1.467 COCC(C)OC[C@H]1C[C@@H](C1)C 5671692dc2b39c25b95e70ba752277fc [0,2,0,1,0,0|1,0,0]=4 34580 B12R1.467 COCC(C)OC[C@H]1C[C@H](C1)F c79f9fa273f7f231d3f691dde745d3f2 [0,2,0,1,0,0|1,0,0]=4 34581 B12R1.467 COC[C@@H](C)OCC1CC(C1)C 8e019167ed56b631ec4b1459ac329d3a [0,2,0,1,0,0|1,0,0]=4 34582 B12R1.467 COC[C@@H](C)OC[C@H]1C[C@H](C1)F 1660229a39c6434620a38057aa7445b3 [0,2,0,1,0,0|1,0,0]=4 34583 B12R1.467 COC[C@H](C)OCC1CC(C1)C 604cde045139aba4844d5e9b6618c6f8 [0,2,0,1,0,0|1,0,0]=4 34584 B12R1.467 COC[C@H](C)OC[C@H]1C[C@H](C1)F f45bff80a5153c8fa6737e893a4eebed [0,2,0,1,0,0|1,0,0]=4 34585 B12R1.467 CSCC(C)OCC1CC(C1)C 898010e9cb4966f2f78348a6686f5e3b [0,2,0,1,0,0|1,0,0]=4 34586 B12R1.467 CSCC(C)OC[C@H]1C[C@H](C1)F a2f8e21d891fcefbd72f849029d2c54e [0,2,0,1,0,0|1,0,0]=4 34587 B12R1.467 OCC[C@H](O)COC1CC(C1)F 2e6c625dc44fbd9d02d41958c8bf673e [0,2,0,1,0,0|1,0,0]=4 34588 B12R1.467 OCC[C@H](O)CO[C@H]1C[C@@H](C1)F 3fc78ccc923ef81ff2fe27bee88c0bcf [0,2,0,1,0,0|1,0,0]=4 34589 B12R1.467 OCC[C@H](O)CO[C@H]1C[C@H](C1)F 1baedc4663157e147cb8a73b92080ea3 [0,2,0,1,0,0|1,0,0]=4 34590 B12R1.686 CC(OC[C@@H](O)CCO)C1CC1 24a328880089950c1618b7101612d475 [0,2,0,1,0,0|1,0,0]=4 34591 B12R1.686 CCCC(=O)COC(C)C1CC1 216a24f75afe022f3345ba439537603f [0,2,0,1,0,0|0,0,1]=4 34592 B12R1.686 CCCC(=O)CO[C@@H](C)C1CC1 8fbf481b1de23e32851d020f6fca5cf5 [0,2,0,1,0,0|0,0,1]=4 34593 B12R1.686 CCCC(=O)CO[C@H](C)C1CC1 6153e992cf59dfba79eda58ffda344ad [0,2,0,1,0,0|0,0,1]=4 34594 B12R1.686 CCCC(C)CN[C@@H](C)C1CC1 5ca04fc349f0ff50b401aed6a2784573 [0,2,0,1,0,0|1,0,0]=4 34595 B12R1.686 CCCC(C)CN[C@H](C)C1CC1 834e28b49e7a976566418be81e71fbe7 [0,2,0,1,0,0|1,0,0]=4 34596 B12R1.686 CCCC(C)COC(C)C1CC1 69be2d51b26148dbb8152cd34abf4759 [0,2,0,1,0,0|0,0,0]=3 34597 B12R1.686 CCCC(C)CO[C@@H](C)C1CC1 615f503b8a015421671e10d9a89b6638 [0,2,0,1,0,0|0,0,0]=3 34598 B12R1.686 CCCC(C)CO[C@H](C)C1CC1 9c61bef940a3a0dc4a4e5a1d9db08b09 [0,2,0,1,0,0|0,0,0]=3 34599 B12R1.686 CCCC(C)NCC(O)C1CC1 ea92e6940722de715ecb038bc7b3161a [0,2,0,1,0,0|1,0,0]=4 34600 B12R1.686 CCCC(C)OCC(=O)C1CC1 50d4a5c49a4b6d4475b3c30236fd1b53 [0,2,0,1,0,0|0,0,1]=4 34601 B12R1.686 CCCC(C)OCC(C)C1CC1 1a8de0e06fb33cf5ddfb9581f6640eac [0,2,0,1,0,0|0,0,0]=3 34602 B12R1.686 CCCC(O)CNC(C)C1CC1 d4997128a6691e3758ec8403122fe8ac [0,2,0,1,0,0|1,0,0]=4 34603 B12R1.686 CCC[C@@H](C)OCC(=O)C1CC1 ce0b5712acea04bf0cacd7a12940ad1d [0,2,0,1,0,0|0,0,1]=4 34604 B12R1.686 CCC[C@H](C)NCC(O)C1CC1 3aa19ebe8b14e5686329f682b68fbe3f [0,2,0,1,0,0|1,0,0]=4 34605 B12R1.686 CCC[C@H](C)OCC(=O)C1CC1 44e90b2f8a0db35c55014a8580166bc5 [0,2,0,1,0,0|0,0,1]=4 34606 B12R1.686 CCOC(C)COC(C)C1CC1 a785cb29b7b6905a960b6a25a4e396f0 [0,2,0,1,0,0|1,0,0]=4 34607 B12R1.686 COCC(C)COC(C)C1CC1 6d11c106832692f4d39d6768758c05eb [0,2,0,1,0,0|1,0,0]=4 34608 B12R1.686 COCC(C)OCC(C)C1CC1 416f8894ca13dc20c79934584626a0cc [0,2,0,1,0,0|1,0,0]=4 34609 B12R1.686 COC[C@H](C)COC(C)C1CC1 7b90a424123793e5455673ef4a8a8f79 [0,2,0,1,0,0|1,0,0]=4 34610 B12R1.686 C[C@@H](OC[C@@H](O)CCO)C1CC1 4ae1a67d1ec93a8eba237b8a6f044d60 [0,2,0,1,0,0|1,0,0]=4 34611 B12R1.686 C[C@H](OC[C@@H](O)CCO)C1CC1 36331f11ffa560de34b681a26f5908a7 [0,2,0,1,0,0|1,0,0]=4 34612 B12R1.1573 CCCC(=S)OCC1(CCC1)C 75c55561f6aed022744b838d8bf2bfdc [0,2,0,1,0,0|0,0,1]=4 34613 B12R1.1573 CCCC(C)CNC1(CCC1)C fcf795726e984c345d445b214d18bc95 [0,2,0,1,0,0|1,0,0]=4 34614 B12R1.1573 CCCC(C)NCC1(CCC1)C c9bc752237b47316fc1d4fbc618fbec8 [0,2,0,1,0,0|1,0,0]=4 34615 B12R1.1573 CCCC(C)NCC1(CCC1)O 07084a5df3a6bc91a353b77a50fdd48f [0,2,0,1,0,0|1,0,0]=4 34616 B12R1.1573 CCCC(C)OCC1(CCC1)C 04d9690d9d1cd2375b08ac2e7d53681e [0,2,0,1,0,0|0,0,0]=3 34617 B12R1.1573 CCCC(C)OCC1(CCC1)F 691c19b53176531d7260d18fc2ce6f05 [0,2,0,1,0,0|0,0,0]=3 34618 B12R1.1573 CCCC(C)OCC1(CCO1)C 2bb4a361c10f69171651ad5fa8fa608e [0,2,0,1,0,0|1,0,0]=4 34619 B12R1.1573 CCCC(C)OCC1(COC1)C 6b7d5bb37c5068e62e6b36b647c613f2 [0,2,0,1,0,0|1,0,0]=4 34620 B12R1.1573 CCCC(C)OCC1(COC1)F 24cac09f4a64aed78179f47d72ca38eb [0,2,0,1,0,0|1,0,0]=4 34621 B12R1.1573 CCCC(C)OCC1(CSC1)C bcc20a8c3d716aad523105d6250877f2 [0,2,0,1,0,0|1,0,0]=4 34622 B12R1.1573 CCCC(C)OC[C@@]1(CCO1)C dcadf82ce4d37da423d46f71dedde5b2 [0,2,0,1,0,0|1,0,0]=4 34623 B12R1.1573 CCCC(C)OC[C@]1(CCO1)C f94d81c63b7d89745fad7e2c0c0246cd [0,2,0,1,0,0|1,0,0]=4 34624 B12R1.1573 CCC[C@@H](C)OCC1(CCC1)C 25f938a0c969236de6df344ae4b785d9 [0,2,0,1,0,0|0,0,0]=3 34625 B12R1.1573 CCC[C@@H](C)OCC1(COC1)C c1bc7e85fe483e37c8986f39678ebaf9 [0,2,0,1,0,0|1,0,0]=4 34626 B12R1.1573 CCC[C@@H](C)OCC1(COC1)F 6c0699a389ba04d63295a9d78e00b501 [0,2,0,1,0,0|1,0,0]=4 34627 B12R1.1573 CCC[C@H](C)NCC1(CCC1)C be56dc3fc12e489e08c17e28e0c4bb42 [0,2,0,1,0,0|1,0,0]=4 34628 B12R1.1573 CCC[C@H](C)OCC1(CCC1)C 3095d293650f25b415bda456bd568026 [0,2,0,1,0,0|0,0,0]=3 34629 B12R1.1573 CCC[C@H](C)OCC1(COC1)C d61fac4a83006473f6b14c6b929e5a61 [0,2,0,1,0,0|1,0,0]=4 34630 B12R1.1573 CCC[C@H](C)OCC1(COC1)F e991cea2844b81c23b4e37039b4be54a [0,2,0,1,0,0|1,0,0]=4 34631 B12R1.1573 COCC(C)OCC1(CCC1)C 367af59ff9ae57ee47792d143c7f1395 [0,2,0,1,0,0|1,0,0]=4 34632 B12R1.1573 COCC(C)OCC1(CCC1)F 6811523c1cf0a0f638d47b771080bf2d [0,2,0,1,0,0|1,0,0]=4 34633 B12R1.1573 COC[C@@H](C)OCC1(CCC1)C 221fd9d3f6c01fd61b470314552c840e [0,2,0,1,0,0|1,0,0]=4 34634 B12R1.1573 COC[C@H](C)OCC1(CCC1)C bb77cce942a13c33c2754dd551194948 [0,2,0,1,0,0|1,0,0]=4 34635 B12R1.1573 CSCC(C)OCC1(CCC1)C 79432958a8b5e5f4bf4038c987f8b776 [0,2,0,1,0,0|1,0,0]=4 34636 B12R1.2049 CCCC(C)CN1C(CC1C)C 87c5bc30f963e31aeb8892520e3b2364 [0,2,0,1,0,0|1,0,0]=4 34637 B12R1.2049 CCCC(C)CN1[C@@H](C[C@@H]1C)C 9350610dd4c0a1ec593ba7ede5a26315 [0,2,0,1,0,0|1,0,0]=4 34638 B12R1.2049 CCCC(C)CN1[C@@H](C[C@H]1C)C 395f47779c0c850cf47fc3d564a35f07 [0,2,0,1,0,0|1,0,0]=4 34639 B12R1.2049 CCCC(C)CN1[C@H](C[C@@H]1C)C f8cf19a3eecb12e1cba8709e004e4fad [0,2,0,1,0,0|1,0,0]=4 34640 B12R1.3400 CCCC(C)OCC1(CC1F)C 8e26ca9bd3e8eef6a9485ed030069546 [0,2,0,1,0,0|1,0,0]=4 34641 B12R1.8 BrCCNCCC1CCCCC1 efce1f28c4358e5350a94c67692d20b0 [0,2,0,1,0,0|1,0,0]=4 34642 B12R1.8 BrCCNCCC1COCCO1 2f3d26833d7c48b491a5ba4f96a84a0b [0,2,0,1,0,0|1,0,0]=4 34643 B12R1.8 BrCCNCCN1CCCCC1 9d4447d84bf64d1e11117761ede1f0b5 [0,2,0,1,0,0|1,0,0]=4 34644 B12R1.8 BrCCNCCN1CCCCO1 f39a0077b594b893058605a323f63e10 [0,2,0,1,0,0|1,0,0]=4 34645 B12R1.8 BrCCNCOC1CCCCC1 ff7faa9fb0b79bb3e860b08f00fcfdc0 [0,2,0,1,0,0|1,0,0]=4 34646 B12R1.8 C#CCCCNC1CCCCO1 7a273c4ab6fe3af844a3b900b2fcd080 [0,2,0,1,0,0|0,0,1]=4 34647 B12R1.8 C#CCCCOC1CCCCC1 2175d6fa7b13dcdb11118efce2396814 [0,2,0,1,0,0|0,0,1]=4 34648 B12R1.8 C#CCCCOC1CCCCO1 e42554bca498eb86c1165cf201963ddd [0,2,0,1,0,0|0,0,1]=4 34649 B12R1.8 C#CCCCOC1CCCOC1 6734392e202ee0dcac758248e875a2a8 [0,2,0,1,0,0|0,0,1]=4 34650 B12R1.8 C#CCCCOC1CCCSC1 f7f5881a4c5d58f4f16d876ea4b21067 [0,2,0,1,0,0|0,0,1]=4 34651 B12R1.8 C#CCCCOC1CCOCC1 fa5b8397f1d8fa23f058348d6ec51aca [0,2,0,1,0,0|0,0,1]=4 34652 B12R1.8 C#CCCCOC1CCSCC1 8ed31c235e2a5401400c736dad8c2b2e [0,2,0,1,0,0|0,0,1]=4 34653 B12R1.8 C#CCCCO[C@@H]1CCCOC1 3c9b02c5573163307da9417c1f32dcbe [0,2,0,1,0,0|0,0,1]=4 34654 B12R1.8 C#CCCCO[C@H]1CCCOC1 9f445db70d338a8af075bf99ae78f6a7 [0,2,0,1,0,0|0,0,1]=4 34655 B12R1.8 C#CCCNCC1CCCCO1 74b41e46f7210989a403c869a12231b4 [0,2,0,1,0,0|0,0,1]=4 34656 B12R1.8 C#CCCOCC1CCCCO1 3a3d46b73ebfe20655cdc4900835f596 [0,2,0,1,0,0|0,0,1]=4 34657 B12R1.8 C#CCCOC[C@@H]1CCCCO1 178c5e93c371d8131cc1c75a0eee277f [0,2,0,1,0,0|0,0,1]=4 34658 B12R1.8 C#CCCOC[C@H]1CCCCO1 c2ac7f12ff3a19fcc4778c427b981545 [0,2,0,1,0,0|0,0,1]=4 34659 B12R1.8 C#CCNCCC1CCCCO1 a6b3c9fde6f1abd9f1694396751c81bf [0,2,0,1,0,0|0,0,1]=4 34660 B12R1.8 C#CCOCCC1CCCCO1 d10d746336a50a96352a0f789fe3ffe5 [0,2,0,1,0,0|0,0,1]=4 34661 B12R1.8 C/C=C/CCOC1CCCCC1 75371750dcb3469baabcd24d30394bdd [0,2,0,1,0,0|0,0,1]=4 34662 B12R1.8 C/C=C/CCOC1CCCCO1 93a4b28bac888f8a2ef3e12289e91b9c [0,2,0,1,0,0|0,0,1]=4 34663 B12R1.8 C/C=C/CCOC1CCCOC1 e2989dcdc6fa3a6a7c0a7b4bf407d290 [0,2,0,1,0,0|0,0,1]=4 34664 B12R1.8 C/C=C/CCOC1CCOCC1 1fb669cbca60c14460abc957aea7b6ff [0,2,0,1,0,0|0,0,1]=4 34665 B12R1.8 C/C=C/CCOC1CCSCC1 5229208d4c45687b12229042d3f2a979 [0,2,0,1,0,0|0,0,1]=4 34666 B12R1.8 C/C=C/CNCC1CCCCO1 dfd93e6ec1e915ded96b3ffa45c78115 [0,2,0,1,0,0|0,0,1]=4 34667 B12R1.8 C/C=C/COCC1CCCCO1 713d9b7084efb5ce985c26f99f102691 [0,2,0,1,0,0|0,0,1]=4 34668 B12R1.8 C/C=C/COC[C@@H]1CCCCO1 044f4122619e5cf5d6dc09c6764ff29e [0,2,0,1,0,0|0,0,1]=4 34669 B12R1.8 C/C=C/COC[C@H]1CCCCO1 c5a723ec1d44c79a7fa6f2b8a6129eb9 [0,2,0,1,0,0|0,0,1]=4 34670 B12R1.8 C/C=C\CNCC1CCCCO1 dd93f751b580718c81649e2f5162eb48 [0,2,0,1,0,0|0,0,1]=4 34671 B12R1.8 C/C=C\COCC1CCCCO1 71a313cce9418ae49a9000f89085ff75 [0,2,0,1,0,0|0,0,1]=4 34672 B12R1.8 C/C=C\COC[C@@H]1CCCCO1 d5a9edac85a51b20f37b3206dc26285c [0,2,0,1,0,0|0,0,1]=4 34673 B12R1.8 C/C=C\COC[C@H]1CCCCO1 fa3d57fb522aab7af18d5791bc4a09bb [0,2,0,1,0,0|0,0,1]=4 34674 B12R1.8 C=CCCCNC1CCCCO1 b787b0d9c3d7c1511974cdeb63cd631a [0,2,0,1,0,0|0,0,1]=4 34675 B12R1.8 C=CCCCOC1CCCCC1 55e89b4a07319ff2f0a2c70d4ab55ba7 [0,2,0,1,0,0|0,0,1]=4 34676 B12R1.8 C=CCCCOC1CCCCO1 1133a8c9a6eee366416aac278d54ed32 [0,2,0,1,0,0|0,0,1]=4 34677 B12R1.8 C=CCCCOC1CCCOC1 ff02999771e225f00a74a464ed40b78e [0,2,0,1,0,0|0,0,1]=4 34678 B12R1.8 C=CCCCOC1CCCSC1 230fc471fa41c2233a8d90f330328238 [0,2,0,1,0,0|0,0,1]=4 34679 B12R1.8 C=CCCCOC1CCOCC1 8521154cbf467bf899edf421d10a7d21 [0,2,0,1,0,0|0,0,1]=4 34680 B12R1.8 C=CCCCOC1CCSCC1 8f006d402d17e02561df01bc1cbeaa58 [0,2,0,1,0,0|0,0,1]=4 34681 B12R1.8 C=CCCCO[C@@H]1CCCOC1 940bbc7468e7ccf6b182fef9f3aa51e6 [0,2,0,1,0,0|0,0,1]=4 34682 B12R1.8 C=CCCCO[C@H]1CCCOC1 ef59272d80170879d010d1342dea0537 [0,2,0,1,0,0|0,0,1]=4 34683 B12R1.8 C=CCCNCC1CCCCO1 c3c54906310d8de4a444abedc10c2ef7 [0,2,0,1,0,0|0,0,1]=4 34684 B12R1.8 C=CCCOCC1CCCCO1 306fb5dda77dfe20a636ef22e43d634e [0,2,0,1,0,0|0,0,1]=4 34685 B12R1.8 C=CCCOC[C@@H]1CCCCO1 225465c148a2edccdf4a2f14910c563d [0,2,0,1,0,0|0,0,1]=4 34686 B12R1.8 C=CCCOC[C@H]1CCCCO1 80c9ec40478eb6ad31c8cffe5cd87d73 [0,2,0,1,0,0|0,0,1]=4 34687 B12R1.8 C=CCNCCC1CCCCO1 66efcaeb00df39b7d81d1872659e9a7a [0,2,0,1,0,0|0,0,1]=4 34688 B12R1.8 C=CCOCCC1CCCCO1 dbd87642ee5c16451f963b00fbf15d39 [0,2,0,1,0,0|0,0,1]=4 34689 B12R1.8 CC#CCCOC1CCCCC1 e5295ea7da00745538885bcefb053851 [0,2,0,1,0,0|0,0,1]=4 34690 B12R1.8 CC#CCCOC1CCCCO1 45d96b77bb3f6c99c7d47389422e3ea1 [0,2,0,1,0,0|0,0,1]=4 34691 B12R1.8 CC#CCCOC1CCCOC1 84c943add2040606dd83da9422369f01 [0,2,0,1,0,0|0,0,1]=4 34692 B12R1.8 CC#CCCOC1CCOCC1 936b5512741a88c00b48fe8b75b1a610 [0,2,0,1,0,0|0,0,1]=4 34693 B12R1.8 CC#CCCOC1CCSCC1 8fd2e9c859317880b6147de2b4039de7 [0,2,0,1,0,0|0,0,1]=4 34694 B12R1.8 CC#CCNCC1CCCCO1 69b0f05ca237003950f1140e8a7af174 [0,2,0,1,0,0|0,0,1]=4 34695 B12R1.8 CC#CCOCC1CCCCO1 a40d8ffcf1e5d6ee7826cba065e079a2 [0,2,0,1,0,0|0,0,1]=4 34696 B12R1.8 CC/C=C/COC1CCCCC1 8e313273aad4eecdfbb37edf0be715a1 [0,2,0,1,0,0|0,0,1]=4 34697 B12R1.8 CC/C=C/COC1CCCCO1 b14500a0bef2f2c51043e871059d9d9d [0,2,0,1,0,0|0,0,1]=4 34698 B12R1.8 CC/C=C/COC1CCCOC1 18ffb61852ec59cb88c946806e7282bc [0,2,0,1,0,0|0,0,1]=4 34699 B12R1.8 CC/C=C/COC1CCCSC1 234a104674ba0386c311dcc337adc7e3 [0,2,0,1,0,0|0,0,1]=4 34700 B12R1.8 CC/C=C/COC1CCOCC1 3ead2278b3b6d44a3eabf78fbc9cd03a [0,2,0,1,0,0|0,0,1]=4 34701 B12R1.8 CC/C=C/COC1CCSCC1 655047c563393097324489d4ff1807ac [0,2,0,1,0,0|0,0,1]=4 34702 B12R1.8 CC/C=C/CO[C@@H]1CCCOC1 58da66ce50873fa6fe88cc96beae049a [0,2,0,1,0,0|0,0,1]=4 34703 B12R1.8 CC/C=C/CO[C@H]1CCCOC1 10f8124046242886715fa0c4a8a4dd55 [0,2,0,1,0,0|0,0,1]=4 34704 B12R1.8 CC/C=C\COC1CCCCC1 4fafa70289569d9ad1e6ee26bc284516 [0,2,0,1,0,0|0,0,1]=4 34705 B12R1.8 CC/C=C\COC1CCCCO1 a0b0565b39d1b69f1806aa16fafde710 [0,2,0,1,0,0|0,0,1]=4 34706 B12R1.8 CC/C=C\COC1CCCOC1 99b87341d7e1f1e7949f3705f5a1e79b [0,2,0,1,0,0|0,0,1]=4 34707 B12R1.8 CC/C=C\COC1CCOCC1 b14e61eb25193dde6a1edf4a8fb2df75 [0,2,0,1,0,0|0,0,1]=4 34708 B12R1.8 CC/C=C\COC1CCSCC1 c5e97a7720b94014f4f73cec88897b5d [0,2,0,1,0,0|0,0,1]=4 34709 B12R1.8 CC=CCNCC1CCCCO1 9f250efbcf82bb0f417421685a79d2e5 [0,2,0,1,0,0|0,0,1]=4 34710 B12R1.8 CC=CCOCC1CCCCO1 f24caf3509639b9c381619e6a746678b [0,2,0,1,0,0|0,0,1]=4 34711 B12R1.8 CCC#CCOC1CCCCC1 441fa2432c0b29c0b5433530d5c010ce [0,2,0,1,0,0|0,0,1]=4 34712 B12R1.8 CCC#CCOC1CCCCO1 5cad48ca07abd183c72f6c26d6e92add [0,2,0,1,0,0|0,0,1]=4 34713 B12R1.8 CCC#CCOC1CCCOC1 f91dd5a7badec7f348c9f88eaf9fbd16 [0,2,0,1,0,0|0,0,1]=4 34714 B12R1.8 CCC#CCOC1CCCSC1 1c3233ba7a6fa8adc16e2ab7fa0781ba [0,2,0,1,0,0|0,0,1]=4 34715 B12R1.8 CCC#CCOC1CCOCC1 0d072506e23d41334fb6af8ec49acc84 [0,2,0,1,0,0|0,0,1]=4 34716 B12R1.8 CCC#CCOC1CCSCC1 f7ab164fb7c3af9ced3f0a9852a057f2 [0,2,0,1,0,0|0,0,1]=4 34717 B12R1.8 CCCCCCN1CCCOC1 5aeb8110e096c626e70fb434e1f16271 [0,2,0,1,0,0|1,0,0]=4 34718 B12R1.8 CCCCCCN1CCCSC1 0efd9a6c276d9d5c68c9f48493b2e17a [0,2,0,1,0,0|1,0,0]=4 34719 B12R1.8 CCCCCCN1CCOCC1 95e57e93741f4ce5e991076b60f17468 [0,2,0,1,0,0|1,0,0]=4 34720 B12R1.8 CCCCCCN1CCSCC1 bd349c1a195c445c245b7907b0d78b9e [0,2,0,1,0,0|1,0,0]=4 34721 B12R1.8 CCCCCNC1C=CCCC1 fcc34c3a0cebb0783a16644e493d39ff [0,2,0,1,0,0|1,0,0]=4 34722 B12R1.8 CCCCCNC1CCCCC1 7120e06f1765de6cd03561efd1b11bf8 [0,2,0,1,0,0|1,0,0]=4 34723 B12R1.8 CCCCCNC1CCCCO1 a04a407ce82ef8b9e2f612b604deb88b [0,2,0,1,0,0|0,0,0]=3 34724 B12R1.8 CCCCCNC1CCCOC1 2d6bf09ec1650df36618c89ca4bb5586 [0,2,0,1,0,0|1,0,0]=4 34725 B12R1.8 CCCCCNC1CCOCC1 0fdf0dd13466c3dab011adc99f6db71a [0,2,0,1,0,0|1,0,0]=4 34726 B12R1.8 CCCCCNC1CCSCC1 95e4df26730a1b6eda83935179dc4f8a [0,2,0,1,0,0|1,0,0]=4 34727 B12R1.8 CCCCCNC1CSCSC1 704913d15a2f9eba2841f460f8caf72e [0,2,0,1,0,0|1,0,0]=4 34728 B12R1.8 CCCCCN[C@@H]1CCCOC1 cbcc0b2cb244d1b81a6c3a7ea54a5497 [0,2,0,1,0,0|1,0,0]=4 34729 B12R1.8 CCCCCN[C@H]1CCCOC1 9ee981d6be4272f440f7f33413f6dcbe [0,2,0,1,0,0|1,0,0]=4 34730 B12R1.8 CCCCCOC1C=CCCC1 bbcc88e64d56d8567c7e835ed2bef081 [0,2,0,1,0,0|0,0,0]=3 34731 B12R1.8 CCCCCOC1CC=CCC1 98926859eebd82806784f0435b91a1e2 [0,2,0,1,0,0|0,0,0]=3 34732 B12R1.8 CCCCCOC1CCCCC1 b07651d65e9755ba815a86821130d808 [0,2,0,1,0,0|0,0,0]=3 34733 B12R1.8 CCCCCOC1CCCCO1 18b43ff403d614c1654f078f891c172f [0,2,0,1,0,0|0,0,0]=3 34734 B12R1.8 CCCCCOC1CCCOC1 ac9b414905ceb08b6e856716c5e4e383 [0,2,0,1,0,0|0,0,0]=3 34735 B12R1.8 CCCCCOC1CCCSC1 d5414778982b73d28087f0bc6cf221aa [0,2,0,1,0,0|0,0,0]=3 34736 B12R1.8 CCCCCOC1CCOCC1 4a946891f0e1b834d032e83f70b6fd21 [0,2,0,1,0,0|0,0,0]=3 34737 B12R1.8 CCCCCOC1CCSCC1 07cb33396df5640e9ece8cd3bea88bb4 [0,2,0,1,0,0|0,0,0]=3 34738 B12R1.8 CCCCCO[C@@H]1CCCOC1 c70fe042d36c9b6649bf16edd56979b5 [0,2,0,1,0,0|0,0,0]=3 34739 B12R1.8 CCCCCO[C@H]1CCCOC1 fd9fbe42eb4f55c7a21d114ea6249cb8 [0,2,0,1,0,0|0,0,0]=3 34740 B12R1.8 CCCCNCC1=CCCCC1 b4d155af4975f2e9fcaabfdf00dab43f [0,2,0,1,0,0|1,0,0]=4 34741 B12R1.8 CCCCNCC1CC=CCC1 1378cb96c226671017080cc72fbe3fe5 [0,2,0,1,0,0|1,0,0]=4 34742 B12R1.8 CCCCNCC1CCCCC1 9ea8c42bdd1042d79a8cb53f93e77e45 [0,2,0,1,0,0|1,0,0]=4 34743 B12R1.8 CCCCNCC1CCCCO1 7cbced637fe63dc7e5e80033b72c2362 [0,2,0,1,0,0|0,0,0]=3 34744 B12R1.8 CCCCNCC1CCCOC1 0e61c6d78e7b30f39dc531b24ab4f80d [0,2,0,1,0,0|1,0,0]=4 34745 B12R1.8 CCCCNCC1CCOCC1 40ed548b775748fbf8fa3b9516d19534 [0,2,0,1,0,0|1,0,0]=4 34746 B12R1.8 CCCCNCC1CCSCC1 b408b54a849e6cebf908066e14c2621f [0,2,0,1,0,0|1,0,0]=4 34747 B12R1.8 CCCCNCC1COCCO1 f0af88977cba21756d54a15a18669289 [0,2,0,1,0,0|1,0,0]=4 34748 B12R1.8 CCCCNC[C@@H]1CCCOC1 96a809a073107e5e5e5812ad97b84209 [0,2,0,1,0,0|1,0,0]=4 34749 B12R1.8 CCCCNC[C@H]1CCCOC1 988b662abd71cc715b747343536738c2 [0,2,0,1,0,0|1,0,0]=4 34750 B12R1.8 CCCCNC[C@H]1COCCO1 71c2932ccbb87ecab1e21ba816904c5b [0,2,0,1,0,0|1,0,0]=4 34751 B12R1.8 CCCCOCC1=CCCCC1 f2466a9e33bf8ba8f839c8a97177a46a [0,2,0,1,0,0|0,0,0]=3 34752 B12R1.8 CCCCOCC1=CCCCO1 02d51c2daa2c86596aea8a48e1133c57 [0,2,0,1,0,0|0,0,1]=4 34753 B12R1.8 CCCCOCC1CC=CCC1 8b42516e7a8d45b86de09b1ea298113b [0,2,0,1,0,0|0,0,0]=3 34754 B12R1.8 CCCCOCC1CCC=CO1 bda98194d2fe83e795c60dff33861c92 [0,2,0,1,0,0|0,0,1]=4 34755 B12R1.8 CCCCOCC1CCCCC1 cd4e3d3ea6e095bf95c10a7ec474615a [0,2,0,1,0,0|0,0,0]=3 34756 B12R1.8 CCCCOCC1CCCCO1 72dbea7faa92e3748970c338c0dcc673 [0,2,0,1,0,0|0,0,0]=3 34757 B12R1.8 CCCCOCC1CCCOC1 46b801737a0ce1f3b0ebac16a1517a89 [0,2,0,1,0,0|0,0,0]=3 34758 B12R1.8 CCCCOCC1CCOCC1 b0966c924c95520693d7268d3feebb49 [0,2,0,1,0,0|0,0,0]=3 34759 B12R1.8 CCCCOCC1CCSCC1 76332364b09ad8742680ac67eb04c37c [0,2,0,1,0,0|0,0,0]=3 34760 B12R1.8 CCCCOCC1COCCO1 41082e772ed4b01c2f5ea2a9ab35b176 [0,2,0,1,0,0|0,0,0]=3 34761 B12R1.8 CCCCOCN1CC=CCC1 bb76fb6d22a9e0222f513863af74e470 [0,2,0,1,0,0|0,0,1]=4 34762 B12R1.8 CCCCOCN1CCCOC1 0a877d1e4d00269afa90bd401f653185 [0,2,0,1,0,0|0,0,0]=3 34763 B12R1.8 CCCCOCN1CCCSC1 b41a529b47f9243553fbb5f772549956 [0,2,0,1,0,0|0,0,0]=3 34764 B12R1.8 CCCCOCN1CCOCC1 55ddaed294474a9d07d210700389feae [0,2,0,1,0,0|0,0,0]=3 34765 B12R1.8 CCCCOCN1CCSCC1 99ccc45362c39148dfd25fed9f57eb66 [0,2,0,1,0,0|0,0,0]=3 34766 B12R1.8 CCCCOC[C@@H]1CC=CCC1 bd9bd0c77657d1c69dd6a8d247fa4f59 [0,2,0,1,0,0|0,0,0]=3 34767 B12R1.8 CCCCOC[C@@H]1CCCCO1 2c2dc3fd5a9ad35708b0d1b6f4ca8c98 [0,2,0,1,0,0|0,0,0]=3 34768 B12R1.8 CCCCOC[C@@H]1CCCOC1 2bb1485ed4ff10f5cbe8e38cd70642cf [0,2,0,1,0,0|0,0,0]=3 34769 B12R1.8 CCCCOC[C@@H]1COCCO1 737b84316f197b56f6fd8e47dc8f8b31 [0,2,0,1,0,0|0,0,0]=3 34770 B12R1.8 CCCCOC[C@H]1CC=CCC1 902459b8d198eb52aa8be77fa2fd34d6 [0,2,0,1,0,0|0,0,0]=3 34771 B12R1.8 CCCCOC[C@H]1CCCCO1 b64af6b0b1b1d2a79193204a0cbd2ae0 [0,2,0,1,0,0|0,0,0]=3 34772 B12R1.8 CCCCOC[C@H]1CCCOC1 c4bf88da4e197a77e8b51035bbd8be87 [0,2,0,1,0,0|0,0,0]=3 34773 B12R1.8 CCCCOC[C@H]1COCCO1 bdd50a7f2d1d7438e2b30dabc9acb143 [0,2,0,1,0,0|0,0,0]=3 34774 B12R1.8 CCCNCCC1=CCCCC1 042827e5ab130d6c8376131fdb5b1629 [0,2,0,1,0,0|1,0,0]=4 34775 B12R1.8 CCCNCCC1CCCCC1 d1d17e58e289b57ff871b741fe39870a [0,2,0,1,0,0|1,0,0]=4 34776 B12R1.8 CCCNCCC1CCCCO1 54f25f2836d544bd4202b59511fb5069 [0,2,0,1,0,0|0,0,0]=3 34777 B12R1.8 CCCNCCC1CCCOC1 726de4f83fe87c31a0a6f8b05b2fa0dd [0,2,0,1,0,0|1,0,0]=4 34778 B12R1.8 CCCNCCC1CCOCC1 f6dce14b8c6c91a78727756516950032 [0,2,0,1,0,0|1,0,0]=4 34779 B12R1.8 CCCNCCC1CCSCC1 d0aa912026afa6273866c3b12ec0e7b5 [0,2,0,1,0,0|1,0,0]=4 34780 B12R1.8 CCCNCCC1COCCO1 dd44fccf6072ffbfc0b303923683d6bf [0,2,0,1,0,0|1,0,0]=4 34781 B12R1.8 CCCNCCN1CCCCC1 601bbc064f872b1cea8c31fdfca9c554 [0,2,0,1,0,0|1,0,0]=4 34782 B12R1.8 CCCNCCN1CCCCO1 61e7cc63e384d55158a00ab844ec6170 [0,2,0,1,0,0|0,0,0]=3 34783 B12R1.8 CCCNCCN1CCOCC1 640815a96fe3d288c77deaf1258ab266 [0,2,0,1,0,0|1,0,0]=4 34784 B12R1.8 CCCNCCN1CCSCC1 4e68c11299c69ca4a56c0e20451d9e44 [0,2,0,1,0,0|1,0,0]=4 34785 B12R1.8 CCCNCOC1CCCCC1 70433c65f7125ff1a38f27c247f66134 [0,2,0,1,0,0|0,0,0]=3 34786 B12R1.8 CCCOCC=C1CCCCC1 5ba1bda4ad939c65711f7ba7b448b62f [0,2,0,1,0,0|1,0,0]=4 34787 B12R1.8 CCCOCCC1CCCCC1 6972365ee7d44893f33793fd36ecacb4 [0,2,0,1,0,0|1,0,0]=4 34788 B12R1.8 CCCOCCC1CCCCO1 8760945c045ffc1b2a4d32669c550bf0 [0,2,0,1,0,0|0,0,0]=3 34789 B12R1.8 CCCOCCC1CCCOC1 3b72da5feeb1e9abc8a6605d087ad999 [0,2,0,1,0,0|1,0,0]=4 34790 B12R1.8 CCCOCCC1CCOCC1 016672dc94ecb4e5df34613e6022d732 [0,2,0,1,0,0|1,0,0]=4 34791 B12R1.8 CCCOCCC1CCSCC1 8ddde2040817f50b7e779b284a2b1d80 [0,2,0,1,0,0|1,0,0]=4 34792 B12R1.8 CCCOCCC1COCCO1 78b7f1e8d79bac70152e995f0f5fa054 [0,2,0,1,0,0|1,0,0]=4 34793 B12R1.8 CCCOCCN1CCCCC1 726cb27859dbbc6ea71b67837dc0792e [0,2,0,1,0,0|1,0,0]=4 34794 B12R1.8 CCCOCCN1CCCOC1 7e1c38743e34108115d7bfa2951733df [0,2,0,1,0,0|1,0,0]=4 34795 B12R1.8 CCCOCCN1CCCSC1 7be8fbe23172dc7085df2b8181a81645 [0,2,0,1,0,0|1,0,0]=4 34796 B12R1.8 CCCOCCN1CCOCC1 ca0cbe10373a8c032ceafeeb679288c3 [0,2,0,1,0,0|1,0,0]=4 34797 B12R1.8 CCCOCCN1CCSCC1 5e76ee66ce841f22150c60e44d68dbf6 [0,2,0,1,0,0|1,0,0]=4 34798 B12R1.8 CCCOCC[C@@H]1COCCO1 d9df17e7b63135674969432d7b663d18 [0,2,0,1,0,0|1,0,0]=4 34799 B12R1.8 CCCOCC[C@H]1COCCO1 13b2db8004fc4da805cb3baf6b3d616a [0,2,0,1,0,0|1,0,0]=4 34800 B12R1.8 CCCOCOC1CCCCC1 a1ffd2dc8abff86a90e27c21f12da071 [0,2,0,1,0,0|0,0,0]=3 34801 B12R1.8 CCNCCCC1CCCCC1 e676e5144e3fe772836e07585debd013 [0,2,0,1,0,0|1,0,0]=4 34802 B12R1.8 CCNCCCC1CCOCC1 0f2784db879de6034ce1af8bd56e06ac [0,2,0,1,0,0|1,0,0]=4 34803 B12R1.8 CCNCCCN1CCCCC1 bf09a0d1c4f3f5f30bf3ef78bd9dcaed [0,2,0,1,0,0|1,0,0]=4 34804 B12R1.8 CCNCCCN1CCOCC1 af0a1d88c3594c0081f69fc9c1364cd7 [0,2,0,1,0,0|1,0,0]=4 34805 B12R1.8 CCNCCOC1CCCCO1 42207f3a041fc052c588e75f77c32fcb [0,2,0,1,0,0|0,0,0]=3 34806 B12R1.8 CCNCCSC1CCCCC1 fa3093a866d02426f8c5a6c3d183504f [0,2,0,1,0,0|0,1,0]=4 34807 B12R1.8 CCOCCCC1CCCCC1 c17058507f85f0186044437f541ad4c5 [0,2,0,1,0,0|1,0,0]=4 34808 B12R1.8 CCOCCCC1CCOCC1 9239cbcc399e1832f53043fd4a21fc43 [0,2,0,1,0,0|1,0,0]=4 34809 B12R1.8 CCOCCCN1CCCCC1 1ea6e3a0aa29baa971c47d65097e5c0c [0,2,0,1,0,0|1,0,0]=4 34810 B12R1.8 CCOCCCN1CCCOC1 730a3bf34009032c6bc8b647ec3b95c2 [0,2,0,1,0,0|1,0,0]=4 34811 B12R1.8 CCOCCCN1CCCSC1 67ad663627198a7cd70b33f1067b595a [0,2,0,1,0,0|1,0,0]=4 34812 B12R1.8 CCOCCCN1CCOCC1 75b0415718ec88a198906bc1fdb4a550 [0,2,0,1,0,0|1,0,0]=4 34813 B12R1.8 CCOCCCN1CCSCC1 7f7863206822403296007b9ada38f09a [0,2,0,1,0,0|1,0,0]=4 34814 B12R1.8 CCOCCNC1CCCCC1 ba11f40f7c0e267c8386f8a6faf8d08c [0,2,0,1,0,0|1,0,0]=4 34815 B12R1.8 CCOCCNC1CCCCO1 3163f885da1b91093870bedcb40fd0e9 [0,2,0,1,0,0|0,0,0]=3 34816 B12R1.8 CCOCCNC1CCCOC1 f91807ce8aed07a8d26fc3ca4d60d706 [0,2,0,1,0,0|1,0,0]=4 34817 B12R1.8 CCOCCNC1CCOCC1 6a31fc22cdbea8a1120b414e6096acbb [0,2,0,1,0,0|1,0,0]=4 34818 B12R1.8 CCOCCNC1CCSCC1 0f567889b1dac54f86d34e1960701448 [0,2,0,1,0,0|1,0,0]=4 34819 B12R1.8 CCOCCN[C@@H]1CCCOC1 55043fd07135b89782079a60f04ce4c8 [0,2,0,1,0,0|1,0,0]=4 34820 B12R1.8 CCOCCN[C@H]1CCCOC1 34c4b169c596b380eb03e98ca99e2a7d [0,2,0,1,0,0|1,0,0]=4 34821 B12R1.8 CCOCCOC1C=CCCC1 9573cdd681237f7128737abe21317684 [0,2,0,1,0,0|0,0,1]=4 34822 B12R1.8 CCOCCOC1CC=CCC1 68e6970175f1427517178e2928b4bb66 [0,2,0,1,0,0|0,0,1]=4 34823 B12R1.8 CCOCCOC1CCCCC1 7ff9755bda6fada6ce8d6b429d2467d2 [0,2,0,1,0,0|0,0,0]=3 34824 B12R1.8 CCOCCOC1CCCCO1 dbcd29d214addf254ea41a57523c83c3 [0,2,0,1,0,0|0,0,0]=3 34825 B12R1.8 CCOCCOC1CCCOC1 9c74b891970884cde8f0516fbe90a9fc [0,2,0,1,0,0|0,0,0]=3 34826 B12R1.8 CCOCCOC1CCCSC1 6642076587b00afc3a5429fc467d94f6 [0,2,0,1,0,0|0,0,0]=3 34827 B12R1.8 CCOCCOC1CCOCC1 00518a9027653c37ee93ce120a9a7dde [0,2,0,1,0,0|0,0,0]=3 34828 B12R1.8 CCOCCOC1CCSCC1 26422676229020955406785b878fb91d [0,2,0,1,0,0|0,0,0]=3 34829 B12R1.8 CCOCCO[C@@H]1CCCOC1 1594086be46339181ab9ac048de1aa4e [0,2,0,1,0,0|0,0,0]=3 34830 B12R1.8 CCOCCO[C@H]1CCCOC1 f2695b79d2deb78354a63dc5f9eada7c [0,2,0,1,0,0|0,0,0]=3 34831 B12R1.8 CCOCNCC1CCCCC1 8a07e46c6a673ef07ec53bdd8a75d561 [0,2,0,1,0,0|1,0,0]=4 34832 B12R1.8 CCOCNCC1CCCCO1 4bfffe77432f358240bca3d98520977a [0,2,0,1,0,0|0,0,0]=3 34833 B12R1.8 CCOCNCC1COCCO1 35431a4ad40d3e85d51c133d3f419795 [0,2,0,1,0,0|1,0,0]=4 34834 B12R1.8 CCOCNC[C@H]1COCCO1 a842f20cea51ec3fdc81eef3b2193346 [0,2,0,1,0,0|1,0,0]=4 34835 B12R1.8 CCOCOCC1CC=CCC1 a770a430f8e348e549802f13a2cb6f09 [0,2,0,1,0,0|1,0,0]=4 34836 B12R1.8 CCOCOCC1CCCCC1 d1720397609dda393aefc2831587e187 [0,2,0,1,0,0|1,0,0]=4 34837 B12R1.8 CCOCOCC1CCCCO1 9f716b3cb86b96a8d0793a76df07acb7 [0,2,0,1,0,0|0,0,0]=3 34838 B12R1.8 CCOCOCC1CCCOC1 3d86d879f46ad992fe09ca6ebb77c938 [0,2,0,1,0,0|1,0,0]=4 34839 B12R1.8 CCOCOCC1CCOCC1 65d38c67fe23010edc593416214613c8 [0,2,0,1,0,0|1,0,0]=4 34840 B12R1.8 CCOCOCC1CCSCC1 c5d77b24c99daf22907f79d5300d15ce [0,2,0,1,0,0|1,0,0]=4 34841 B12R1.8 CCOCOCC1COCCO1 8e16a44f9c3655ad202914ee7b446794 [0,2,0,1,0,0|1,0,0]=4 34842 B12R1.8 CCOCOC[C@@H]1CC=CCC1 feef666a9c4daf1d308d886909536f2e [0,2,0,1,0,0|1,0,0]=4 34843 B12R1.8 CCOCOC[C@@H]1CCCCO1 4900951a5beadce01f0b5f0863c278be [0,2,0,1,0,0|0,0,0]=3 34844 B12R1.8 CCOCOC[C@@H]1CCCOC1 27920f0707840ad789a9802f73e8d000 [0,2,0,1,0,0|1,0,0]=4 34845 B12R1.8 CCOCOC[C@@H]1COCCO1 2e528269742f9f8cedf60c5d247f36a8 [0,2,0,1,0,0|1,0,0]=4 34846 B12R1.8 CCOCOC[C@H]1CC=CCC1 73416892b549be7ce1992e3454d2ed46 [0,2,0,1,0,0|1,0,0]=4 34847 B12R1.8 CCOCOC[C@H]1CCCCO1 56b6610d5fcfc3916e3d7844082d1588 [0,2,0,1,0,0|0,0,0]=3 34848 B12R1.8 CCOCOC[C@H]1CCCOC1 f4b1103f12c8ed5cc5953f07c45cd544 [0,2,0,1,0,0|1,0,0]=4 34849 B12R1.8 CCOCOC[C@H]1COCCO1 1bcdbbcc3cf68506e4813fc79889d980 [0,2,0,1,0,0|1,0,0]=4 34850 B12R1.8 CCSCCCN1CCCOC1 6210a577851f3ef45ed510e4f1e9b92d [0,2,0,1,0,0|1,0,0]=4 34851 B12R1.8 CCSCCCN1CCCSC1 3f26c3c74aa81bca31af98a7e9262e76 [0,2,0,1,0,0|1,0,0]=4 34852 B12R1.8 CCSCCCN1CCOCC1 f171efde5f738a783443bca8eb3f9b9e [0,2,0,1,0,0|1,0,0]=4 34853 B12R1.8 CCSCCCN1CCSCC1 99a104021cc8946e123ed98f63c5e5a0 [0,2,0,1,0,0|1,0,0]=4 34854 B12R1.8 CCSCCNC1CCCCC1 0a8caf0151fa749d3bedec60520469db [0,2,0,1,0,0|1,0,0]=4 34855 B12R1.8 CCSCCNC1CCCCO1 e36f184a0c7960065ad13120c9887bdc [0,2,0,1,0,0|0,0,0]=3 34856 B12R1.8 CCSCCNC1CCCOC1 90d91c962c67a6a1616f3e337066ffe3 [0,2,0,1,0,0|1,0,0]=4 34857 B12R1.8 CCSCCNC1CCOCC1 d01e306523a406bd7fcd9e86ed1dd14b [0,2,0,1,0,0|1,0,0]=4 34858 B12R1.8 CCSCCNC1CCSCC1 77d2206e5d43688c5a09964c63952a87 [0,2,0,1,0,0|1,0,0]=4 34859 B12R1.8 CCSCCN[C@@H]1CCCOC1 649efb760f3e59b3e45d67154d323507 [0,2,0,1,0,0|1,0,0]=4 34860 B12R1.8 CCSCCN[C@H]1CCCOC1 2d3b8e1c3ed8dbb15844869efcdfaaee [0,2,0,1,0,0|1,0,0]=4 34861 B12R1.8 CCSCCOC1C=CCCC1 544ec8e6b7b10f6a10f35848b0fb527c [0,2,0,1,0,0|0,0,1]=4 34862 B12R1.8 CCSCCOC1CC=CCC1 7b023b783e94abda52b959e52acaa164 [0,2,0,1,0,0|0,0,1]=4 34863 B12R1.8 CCSCCOC1CCCCC1 b715f7f42b43325b273526e230d61f7a [0,2,0,1,0,0|0,0,0]=3 34864 B12R1.8 CCSCCOC1CCCCO1 eb8ac36ecf28b217a36c7f95a53fac44 [0,2,0,1,0,0|0,0,0]=3 34865 B12R1.8 CCSCCOC1CCCOC1 75e57b807d6effb9c382cbd768a2d7c7 [0,2,0,1,0,0|0,0,0]=3 34866 B12R1.8 CCSCCOC1CCCSC1 1a062b611c36a4d03db16a4478a58503 [0,2,0,1,0,0|0,0,0]=3 34867 B12R1.8 CCSCCOC1CCOCC1 2a305fcb7fd180d66bc3ea3660385f23 [0,2,0,1,0,0|0,0,0]=3 34868 B12R1.8 CCSCCOC1CCSCC1 77680dc1c53bb668730825b47238a2bf [0,2,0,1,0,0|0,0,0]=3 34869 B12R1.8 CCSCCO[C@@H]1CCCOC1 9e8722e03adf6ed13a2d335f1074714e [0,2,0,1,0,0|0,0,0]=3 34870 B12R1.8 CCSCCO[C@H]1CCCOC1 11263815728f7b1b6dfc5eab7b2b1a37 [0,2,0,1,0,0|0,0,0]=3 34871 B12R1.8 COCCCCN1CCCOC1 b05c30521e4cf3d2c7079176264d4a8f [0,2,0,1,0,0|1,0,0]=4 34872 B12R1.8 COCCCCN1CCCSC1 6ebc26b96b27f78d48dc5fdea608d277 [0,2,0,1,0,0|1,0,0]=4 34873 B12R1.8 COCCCCN1CCOCC1 98f01c59ed1aa2a2154944b4d7a42d31 [0,2,0,1,0,0|1,0,0]=4 34874 B12R1.8 COCCCCN1CCSCC1 fac93b7dd399ced2c11bd174f7cd80af [0,2,0,1,0,0|1,0,0]=4 34875 B12R1.8 COCCCNC1CCCCC1 cd9a5ae0049010562b40ad107482314c [0,2,0,1,0,0|1,0,0]=4 34876 B12R1.8 COCCCNC1CCCCO1 bc3b5625935161b25e4d97171eb8ac58 [0,2,0,1,0,0|0,0,0]=3 34877 B12R1.8 COCCCNC1CCCOC1 cd3abee7e2959f88a3ebe67ef2291008 [0,2,0,1,0,0|1,0,0]=4 34878 B12R1.8 COCCCNC1CCOCC1 99274f8ed5a030b2d40f9cb31b525e13 [0,2,0,1,0,0|1,0,0]=4 34879 B12R1.8 COCCCNC1CCSCC1 c789288bbe790451955e3e9200b6389b [0,2,0,1,0,0|1,0,0]=4 34880 B12R1.8 COCCCN[C@@H]1CCCOC1 18b810f141bfd29bdf845c23db293a23 [0,2,0,1,0,0|1,0,0]=4 34881 B12R1.8 COCCCN[C@H]1CCCOC1 076cffdff67bb22467ff603a643a270e [0,2,0,1,0,0|1,0,0]=4 34882 B12R1.8 COCCCOC1C=CCCC1 e4ba548f2c420f694c7be20375864f4b [0,2,0,1,0,0|0,0,1]=4 34883 B12R1.8 COCCCOC1CC=CCC1 348a69afb0dc71606c21fd2f5bc01459 [0,2,0,1,0,0|0,0,1]=4 34884 B12R1.8 COCCCOC1CCCCC1 39f4b0c831b70712cfc7671ef142edc4 [0,2,0,1,0,0|0,0,0]=3 34885 B12R1.8 COCCCOC1CCCCO1 0460d32555c632c9d507fd48f5016de9 [0,2,0,1,0,0|0,0,0]=3 34886 B12R1.8 COCCCOC1CCCOC1 5141e0bc93aaad414e97bd3b18ec50f1 [0,2,0,1,0,0|0,0,0]=3 34887 B12R1.8 COCCCOC1CCCSC1 a3f57c3215ed33bd2c03b021da8b35c4 [0,2,0,1,0,0|0,0,0]=3 34888 B12R1.8 COCCCOC1CCOCC1 08e38fb9ab235969c7ffdf40ea9136c4 [0,2,0,1,0,0|0,0,0]=3 34889 B12R1.8 COCCCOC1CCSCC1 219cfa141472cd58339c7d7f44631c9b [0,2,0,1,0,0|0,0,0]=3 34890 B12R1.8 COCCCO[C@@H]1CCCOC1 c7e2e47e28ddd0e7c21367cd652c65dd [0,2,0,1,0,0|0,0,0]=3 34891 B12R1.8 COCCCO[C@H]1CCCOC1 a8b8fc2cecaa5c14dbdd3313a751c141 [0,2,0,1,0,0|0,0,0]=3 34892 B12R1.8 COCCNCC1CCCCC1 9bc03447e6be3b4a3225003f31619cf7 [0,2,0,1,0,0|1,0,0]=4 34893 B12R1.8 COCCNCC1CCCCO1 da6896a27b037e991b8f4a7dd9ac086d [0,2,0,1,0,0|0,0,0]=3 34894 B12R1.8 COCCNCC1COCCO1 7746e72a60d063db1bd85e987b9544ba [0,2,0,1,0,0|1,0,0]=4 34895 B12R1.8 COCCNC[C@H]1COCCO1 7f34f1a2783febd9da21dde473cd0043 [0,2,0,1,0,0|1,0,0]=4 34896 B12R1.8 COCCOCC1=CCCCC1 4280faf2e298d130e61d7355e7f5c7d1 [0,2,0,1,0,0|1,0,0]=4 34897 B12R1.8 COCCOCC1CC=CCC1 41cefd318c37bc987591e2d65a903b12 [0,2,0,1,0,0|1,0,0]=4 34898 B12R1.8 COCCOCC1CCCCC1 c6ec473bb357207cb63ab489ee0e422f [0,2,0,1,0,0|1,0,0]=4 34899 B12R1.8 COCCOCC1CCCCO1 cde7a0b30a014732b5bf9a313d4cc4cb [0,2,0,1,0,0|0,0,0]=3 34900 B12R1.8 COCCOCC1CCCOC1 b88f8070a550cae134d906a17e0dc8ef [0,2,0,1,0,0|1,0,0]=4 34901 B12R1.8 COCCOCC1CCOCC1 7f60183904e5193dac6f41c9e3928c2c [0,2,0,1,0,0|1,0,0]=4 34902 B12R1.8 COCCOCC1CCSCC1 e265956ed29c8993e42575b399c78837 [0,2,0,1,0,0|1,0,0]=4 34903 B12R1.8 COCCOCC1COCCO1 cec09a0b5c7ba911016466924fe9066f [0,2,0,1,0,0|1,0,0]=4 34904 B12R1.8 COCCOCN1CCCOC1 bb97687db5d53183db58b4f0c3c5b39c [0,2,0,1,0,0|1,0,0]=4 34905 B12R1.8 COCCOCN1CCCSC1 cd2a6ef390399a7b306ca5b2dfc2af60 [0,2,0,1,0,0|1,0,0]=4 34906 B12R1.8 COCCOCN1CCOCC1 f33a38c7f3d472fa27d00f9e0fb9858c [0,2,0,1,0,0|1,0,0]=4 34907 B12R1.8 COCCOCN1CCSCC1 b7386723fc65c7c7312cdbaedde97484 [0,2,0,1,0,0|1,0,0]=4 34908 B12R1.8 COCCOC[C@@H]1CC=CCC1 ef1dcc67a337b1253bb9bff1c768f933 [0,2,0,1,0,0|1,0,0]=4 34909 B12R1.8 COCCOC[C@@H]1CCCCO1 000597a5467adde03581e612e6ea15ac [0,2,0,1,0,0|0,0,0]=3 34910 B12R1.8 COCCOC[C@@H]1CCCOC1 a696b7f30140a7a22ea443ab366fa3bf [0,2,0,1,0,0|1,0,0]=4 34911 B12R1.8 COCCOC[C@@H]1COCCO1 c6933379ba4b6f9bfcb13fe63d7a06e3 [0,2,0,1,0,0|1,0,0]=4 34912 B12R1.8 COCCOC[C@H]1CC=CCC1 fc13455836b59f067f7db42c5c80bb34 [0,2,0,1,0,0|1,0,0]=4 34913 B12R1.8 COCCOC[C@H]1CCCCO1 d23bc347454de3426aad5fecc196da6d [0,2,0,1,0,0|0,0,0]=3 34914 B12R1.8 COCCOC[C@H]1CCCOC1 f104cd62620e9f6561ba3ecda5f84a51 [0,2,0,1,0,0|1,0,0]=4 34915 B12R1.8 COCCOC[C@H]1COCCO1 50464dc3e4e2ffd7bb3574a8f854674e [0,2,0,1,0,0|1,0,0]=4 34916 B12R1.8 COCNCCC1CCCCC1 aa289bb98967234b252cbe2ab2a748d2 [0,2,0,1,0,0|1,0,0]=4 34917 B12R1.8 COCNCCC1CCCCO1 29d4d69da9564d4e34500f938f7ea1e0 [0,2,0,1,0,0|0,0,0]=3 34918 B12R1.8 COCNCCC1COCCO1 dece97cd273a6c3ca6861b112c486f7b [0,2,0,1,0,0|1,0,0]=4 34919 B12R1.8 COCNCCN1CCCCC1 453b849f232a653bb80d0044be734bcf [0,2,0,1,0,0|1,0,0]=4 34920 B12R1.8 COCOCCC1CCCCC1 1ce799a15d399385041d7a55bf8c0959 [0,2,0,1,0,0|1,0,0]=4 34921 B12R1.8 COCOCCC1CCCCO1 34477eecb3c6b8074a12f14cc4727071 [0,2,0,1,0,0|0,0,0]=3 34922 B12R1.8 COCOCCC1COCCO1 0170ed342375468ff7af588fc94b7cbd [0,2,0,1,0,0|1,0,0]=4 34923 B12R1.8 COCOCCN1CCCCC1 57f73b36d46179e4e42777ff5b9f1d23 [0,2,0,1,0,0|1,0,0]=4 34924 B12R1.8 COCOCC[C@@H]1COCCO1 7bc39d106134ed19dfa2ffb9b3f532b6 [0,2,0,1,0,0|1,0,0]=4 34925 B12R1.8 COCOCC[C@H]1COCCO1 960f90c909448cb2c9cc2da96d641067 [0,2,0,1,0,0|1,0,0]=4 34926 B12R1.8 COCOCOC1CCCCC1 c673bd836ebb65140bd243e63c8d40ec [0,2,0,1,0,0|1,0,0]=4 34927 B12R1.8 CSCCCNC1CCCCC1 8648759bce8d9ad31b3867acf80108d1 [0,2,0,1,0,0|1,0,0]=4 34928 B12R1.8 CSCCCNC1CCCCO1 431a0ff9f5a8a4ea24911c34043325d4 [0,2,0,1,0,0|0,0,0]=3 34929 B12R1.8 CSCCCNC1CCCOC1 42cb8b85a859f732b7bfeed669cb533f [0,2,0,1,0,0|1,0,0]=4 34930 B12R1.8 CSCCCNC1CCOCC1 a850d6ac6643909a9426aa441609671e [0,2,0,1,0,0|1,0,0]=4 34931 B12R1.8 CSCCCNC1CCSCC1 0efaf63d5f750eecc2796dbc27e6da5f [0,2,0,1,0,0|1,0,0]=4 34932 B12R1.8 CSCCCN[C@@H]1CCCOC1 84147a1ba8eae857876b9655d692dfcb [0,2,0,1,0,0|1,0,0]=4 34933 B12R1.8 CSCCCN[C@H]1CCCOC1 5d156e7d14af2ccc31d6aa1e6f267a8e [0,2,0,1,0,0|1,0,0]=4 34934 B12R1.8 CSCCCOC1C=CCCC1 6f47d02b3358994ebf795039201c1934 [0,2,0,1,0,0|0,0,1]=4 34935 B12R1.8 CSCCCOC1CC=CCC1 735411b3c62c671e9e3f5f8621a284d0 [0,2,0,1,0,0|0,0,1]=4 34936 B12R1.8 CSCCCOC1CCCCC1 9be524dfa0b889b49310856d52f0c209 [0,2,0,1,0,0|0,0,0]=3 34937 B12R1.8 CSCCCOC1CCCCO1 f36c5844d065170babc3035cdbdb4b67 [0,2,0,1,0,0|0,0,0]=3 34938 B12R1.8 CSCCCOC1CCCOC1 c080ed72957fe663cfed566004ae4ec1 [0,2,0,1,0,0|0,0,0]=3 34939 B12R1.8 CSCCCOC1CCCSC1 6da04d38997146cb1dea4cde1378c188 [0,2,0,1,0,0|0,0,0]=3 34940 B12R1.8 CSCCCOC1CCOCC1 3b593d1d9ee10e74df007381eb43ed80 [0,2,0,1,0,0|0,0,0]=3 34941 B12R1.8 CSCCCOC1CCSCC1 edd9afda4f08d3e0834ff0993c1b8697 [0,2,0,1,0,0|0,0,0]=3 34942 B12R1.8 CSCCCO[C@@H]1CCCOC1 c80a97c44c6651f303a2aec4791c34b5 [0,2,0,1,0,0|0,0,0]=3 34943 B12R1.8 CSCCCO[C@H]1CCCOC1 6518029f8b5f619c18d33e92813fe467 [0,2,0,1,0,0|0,0,0]=3 34944 B12R1.8 CSCCNCC1CCCCC1 718d2f26d88ffa06dd56ecf97a048938 [0,2,0,1,0,0|1,0,0]=4 34945 B12R1.8 CSCCNCC1CCCCO1 f5e1663a508415785d3107f376b090c4 [0,2,0,1,0,0|0,0,0]=3 34946 B12R1.8 CSCCNCC1COCCO1 81dc565915e315e0c0d0a04fe464546d [0,2,0,1,0,0|1,0,0]=4 34947 B12R1.8 CSCCNC[C@H]1COCCO1 7b2351d8d6e1516c56c9b7639dfd6aab [0,2,0,1,0,0|1,0,0]=4 34948 B12R1.8 CSCCOCC1=CCCCC1 57d56afeceb46269a19060d80a8b29cb [0,2,0,1,0,0|1,0,0]=4 34949 B12R1.8 CSCCOCC1CC=CCC1 71097edcd68c904c44d28597536e50c2 [0,2,0,1,0,0|1,0,0]=4 34950 B12R1.8 CSCCOCC1CCCCC1 6d959572ef7fe57140ab94790536c812 [0,2,0,1,0,0|1,0,0]=4 34951 B12R1.8 CSCCOCC1CCCCO1 808d24a548b28c5adcacc08a0941e179 [0,2,0,1,0,0|0,0,0]=3 34952 B12R1.8 CSCCOCC1CCCOC1 21317a656813a5e53391a3858b40ef12 [0,2,0,1,0,0|1,0,0]=4 34953 B12R1.8 CSCCOCC1CCOCC1 3a3084d29f3ba9b038e606c19a1c5e6b [0,2,0,1,0,0|1,0,0]=4 34954 B12R1.8 CSCCOCC1CCSCC1 5ee57157491e46bd2083163e6335057f [0,2,0,1,0,0|1,0,0]=4 34955 B12R1.8 CSCCOCC1COCCO1 c5a79491319be7b5002ba745602baf1e [0,2,0,1,0,0|1,0,0]=4 34956 B12R1.8 CSCCOC[C@@H]1CC=CCC1 eab316269e2a0238eb4c33319d9e533b [0,2,0,1,0,0|1,0,0]=4 34957 B12R1.8 CSCCOC[C@@H]1CCCCO1 b0a7eb7ef0ae7832c4221d6336862761 [0,2,0,1,0,0|0,0,0]=3 34958 B12R1.8 CSCCOC[C@@H]1CCCOC1 d182264ab21dbbac60541c821e688c8a [0,2,0,1,0,0|1,0,0]=4 34959 B12R1.8 CSCCOC[C@@H]1COCCO1 5c97c3eec9da5ad743b8f6330d3713d4 [0,2,0,1,0,0|1,0,0]=4 34960 B12R1.8 CSCCOC[C@H]1CC=CCC1 ddcafdff347a7c366c0d2b00f8a50b97 [0,2,0,1,0,0|1,0,0]=4 34961 B12R1.8 CSCCOC[C@H]1CCCCO1 c911cb03523b44ac6738bdfb0ec792dd [0,2,0,1,0,0|0,0,0]=3 34962 B12R1.8 CSCCOC[C@H]1CCCOC1 51d24793d62117d10f4a3de1c5a579c9 [0,2,0,1,0,0|1,0,0]=4 34963 B12R1.8 CSCCOC[C@H]1COCCO1 8f8b468ef38e693bd750dff196651c35 [0,2,0,1,0,0|1,0,0]=4 34964 B12R1.8 CSCNCCC1CCCCC1 c923cc6889dfc925c4ada55317b98e09 [0,2,0,1,0,0|1,0,0]=4 34965 B12R1.8 CSCNCCC1CCCCO1 10fc7f578df18ffef0e656dfb62c2187 [0,2,0,1,0,0|0,0,0]=3 34966 B12R1.8 CSCNCCC1COCCO1 e405095ae7e059da55a36a276484a766 [0,2,0,1,0,0|1,0,0]=4 34967 B12R1.8 CSCNCCN1CCCCC1 7f50df0dca5a5d72eb004286f52b38c6 [0,2,0,1,0,0|1,0,0]=4 34968 B12R1.8 CSCOCCC1CCCCC1 2d45311ab86608afcae15a044cb16233 [0,2,0,1,0,0|1,0,0]=4 34969 B12R1.8 CSCOCCC1CCCCO1 045694cf88c6ad6cbf5354e79d68bfd4 [0,2,0,1,0,0|0,0,0]=3 34970 B12R1.8 CSCOCCC1COCCO1 08f8389f7ef1a3bd0538696a53c4668b [0,2,0,1,0,0|1,0,0]=4 34971 B12R1.8 CSCOCCN1CCCCC1 244c4b0d8ebaeb03304d9e6175e7ec05 [0,2,0,1,0,0|1,0,0]=4 34972 B12R1.8 CSCOCC[C@@H]1COCCO1 c7447920e27bd685f2bb764a91ce7a66 [0,2,0,1,0,0|1,0,0]=4 34973 B12R1.8 CSCOCC[C@H]1COCCO1 83b557ba942f96fd9d4e8498c46e5840 [0,2,0,1,0,0|1,0,0]=4 34974 B12R1.8 ClCCCCNC1CCCCC1 10d55b7b5a206340028d85f4699bf09d [0,2,0,1,0,0|1,0,0]=4 34975 B12R1.8 ClCCCCNC1CCCCO1 91f88b449cfcf83cc11095f92ba2a372 [0,2,0,1,0,0|0,0,0]=3 34976 B12R1.8 ClCCCCNC1CCCOC1 61f921c1a4118b93abccc53c263e93be [0,2,0,1,0,0|1,0,0]=4 34977 B12R1.8 ClCCCCNC1CCOCC1 e1fe268b2341f2ee1d0c8509416dd884 [0,2,0,1,0,0|1,0,0]=4 34978 B12R1.8 ClCCCCNC1CCSCC1 655594bfa97ba7127ec00075fd37ca3b [0,2,0,1,0,0|1,0,0]=4 34979 B12R1.8 ClCCCNCC1CCCCC1 d6367e62363b5753af8d5ceac5662cc8 [0,2,0,1,0,0|1,0,0]=4 34980 B12R1.8 ClCCCNCC1CCCCO1 28d106029ea2de1ec5e95aa2b6a44149 [0,2,0,1,0,0|0,0,0]=3 34981 B12R1.8 ClCCCNCC1COCCO1 a0a9b77f854767dcf7ddd0ef29f731ed [0,2,0,1,0,0|1,0,0]=4 34982 B12R1.8 FCCCCCN1CCCOC1 5482502141c9803cdc9a37ddb035eaa6 [0,2,0,1,0,0|1,0,0]=4 34983 B12R1.8 FCCCCCN1CCCSC1 62b4488f736f4010028ce6732365bbd2 [0,2,0,1,0,0|1,0,0]=4 34984 B12R1.8 FCCCCCN1CCOCC1 b5fb91c4e52a723426601f099462bc00 [0,2,0,1,0,0|1,0,0]=4 34985 B12R1.8 FCCCCCN1CCSCC1 ab5fc0d28768252757f9d2e8ee0dc3f6 [0,2,0,1,0,0|1,0,0]=4 34986 B12R1.8 FCCCCNC1CCCOC1 d72d5819493b84f454a41e9d17f66b81 [0,2,0,1,0,0|1,0,0]=4 34987 B12R1.8 FCCCCNC1CCOCC1 5dcfec7130079cd60e3b0bceb1458da1 [0,2,0,1,0,0|1,0,0]=4 34988 B12R1.8 FCCCCNC1CCSCC1 2ab63272da436a276f7fff40cac1f55a [0,2,0,1,0,0|1,0,0]=4 34989 B12R1.8 FCCCCN[C@@H]1CCCOC1 a842003a925ce27e58d5e3c4a880366b [0,2,0,1,0,0|1,0,0]=4 34990 B12R1.8 FCCCCN[C@H]1CCCOC1 209f5ae17f8b4ca3f03a3682841a883d [0,2,0,1,0,0|1,0,0]=4 34991 B12R1.8 FCCCCOC1C=CCCC1 5c71d5a10a56a1830cc1fede8538a462 [0,2,0,1,0,0|0,0,1]=4 34992 B12R1.8 FCCCCOC1CC=CCC1 2b62fbcb75fb6b628f70edba98f81373 [0,2,0,1,0,0|0,0,1]=4 34993 B12R1.8 FCCCCOC1CCCCC1 c5189c072094498999a1a42b37ead4e9 [0,2,0,1,0,0|0,0,0]=3 34994 B12R1.8 FCCCCOC1CCCCO1 db236c26245e6c245270ffdd7364f8f1 [0,2,0,1,0,0|0,0,0]=3 34995 B12R1.8 FCCCCOC1CCCOC1 5f37d19592533f5fd7d00a7728d7867e [0,2,0,1,0,0|0,0,0]=3 34996 B12R1.8 FCCCCOC1CCCSC1 b61e06e3824cb1c88584e432ca0c0ffb [0,2,0,1,0,0|0,0,0]=3 34997 B12R1.8 FCCCCOC1CCOCC1 75c3b79afaaf8f4945472ff3473ef226 [0,2,0,1,0,0|0,0,0]=3 34998 B12R1.8 FCCCCOC1CCSCC1 57a7d3317a2ee2de0afe53a44eba501e [0,2,0,1,0,0|0,0,0]=3 34999 B12R1.8 FCCCCO[C@@H]1CCCOC1 43603fb688f42cf6b171c2b00e1b0346 [0,2,0,1,0,0|0,0,0]=3 35000 B12R1.8 FCCCCO[C@H]1CCCOC1 fa2a9f225105a674bbd08d46175ff425 [0,2,0,1,0,0|0,0,0]=3 35001 B12R1.8 FCCCNCC1CCCCC1 356f97876a45b16caf66b1b3cde0f5d5 [0,2,0,1,0,0|1,0,0]=4 35002 B12R1.8 FCCCNCC1CCCCO1 dfa3f901cfc33e264c91ce9624b83354 [0,2,0,1,0,0|0,0,0]=3 35003 B12R1.8 FCCCNCC1COCCO1 119992f1dba4fc2cccd02f49ccd52748 [0,2,0,1,0,0|1,0,0]=4 35004 B12R1.8 FCCCNC[C@H]1COCCO1 e6d8683dc55f0113543e59b2e571d168 [0,2,0,1,0,0|1,0,0]=4 35005 B12R1.8 FCCCOCC1=CCCCC1 d84b92cfe8a9ae88fe711360c49d86be [0,2,0,1,0,0|1,0,0]=4 35006 B12R1.8 FCCCOCC1CC=CCC1 f5358856d1f15bb31320800f5e25b21a [0,2,0,1,0,0|1,0,0]=4 35007 B12R1.8 FCCCOCC1CCCCC1 894914d9158d4cbd0d810074232387ad [0,2,0,1,0,0|1,0,0]=4 35008 B12R1.8 FCCCOCC1CCCCO1 db6c19c227c9c9c0bb51e93bf2eda806 [0,2,0,1,0,0|0,0,0]=3 35009 B12R1.8 FCCCOCC1CCCOC1 b3cd4b562d923d17ea617295df7e44c9 [0,2,0,1,0,0|1,0,0]=4 35010 B12R1.8 FCCCOCC1CCOCC1 28abcdae3a7df3ba7b684d182639b2ea [0,2,0,1,0,0|1,0,0]=4 35011 B12R1.8 FCCCOCC1CCSCC1 8225bfa4bf766652303106d7b37b9e3f [0,2,0,1,0,0|1,0,0]=4 35012 B12R1.8 FCCCOCC1COCCO1 57bc2920837311878ad94caf342d40ae [0,2,0,1,0,0|1,0,0]=4 35013 B12R1.8 FCCCOC[C@@H]1CC=CCC1 358a31af3c55caa37def28f8f8c6ed8f [0,2,0,1,0,0|1,0,0]=4 35014 B12R1.8 FCCCOC[C@@H]1CCCCO1 1b4625870c5df49a6cc01f89c8e3696e [0,2,0,1,0,0|0,0,0]=3 35015 B12R1.8 FCCCOC[C@@H]1CCCOC1 f376c4da525d8af32767d69888fe7240 [0,2,0,1,0,0|1,0,0]=4 35016 B12R1.8 FCCCOC[C@@H]1COCCO1 0ff0a1935dcc7e0aae2c3506e39ea49b [0,2,0,1,0,0|1,0,0]=4 35017 B12R1.8 FCCCOC[C@H]1CC=CCC1 e815ac36dfa734f4b345eddda395a2aa [0,2,0,1,0,0|1,0,0]=4 35018 B12R1.8 FCCCOC[C@H]1CCCCO1 954aa4ad8c7834fc564e02ea7b8f6fb4 [0,2,0,1,0,0|0,0,0]=3 35019 B12R1.8 FCCCOC[C@H]1CCCOC1 19d3886c0b9466f52887a9d4b1162985 [0,2,0,1,0,0|1,0,0]=4 35020 B12R1.8 FCCCOC[C@H]1COCCO1 36706063536ca22657cadc4b6a98ecd7 [0,2,0,1,0,0|1,0,0]=4 35021 B12R1.8 FCCNCCC1CCCCC1 5db03d051901eac1a2a78d15c89688c4 [0,2,0,1,0,0|1,0,0]=4 35022 B12R1.8 FCCNCCC1CCCCO1 21afce3ee8dd90288094045ce7864233 [0,2,0,1,0,0|0,0,0]=3 35023 B12R1.8 FCCNCCC1COCCO1 fe2b66daab0d61ecec2fd89016f05df2 [0,2,0,1,0,0|1,0,0]=4 35024 B12R1.8 FCCNCCN1CCCCC1 e7ce4522f5fd86ccb062c3e80b3b902d [0,2,0,1,0,0|1,0,0]=4 35025 B12R1.8 FCCNCCN1CCCCO1 cea6f4d9b849157ad855dfd9e4ddbe82 [0,2,0,1,0,0|1,0,0]=4 35026 B12R1.8 FCCNCOC1CCCCC1 1a5a94a5f089e2f9e0993e168361a622 [0,2,0,1,0,0|1,0,0]=4 35027 B12R1.8 FCCOCCC1CCCCC1 c09384213110b05b7f274a40105e2fb7 [0,2,0,1,0,0|1,0,0]=4 35028 B12R1.8 FCCOCCC1CCCCO1 74e42f61fd345edf568d3a1e2b256ab5 [0,2,0,1,0,0|0,0,0]=3 35029 B12R1.8 FCCOCCC1COCCO1 1a42c8c791cadb4c62e64cadacef6e25 [0,2,0,1,0,0|1,0,0]=4 35030 B12R1.8 FCCOCCN1CCCCC1 1cce11279ed8f127c2da13eb60f7f746 [0,2,0,1,0,0|1,0,0]=4 35031 B12R1.8 FCCOCC[C@@H]1COCCO1 f239134c8f0dceacfe3fabe8125a2723 [0,2,0,1,0,0|1,0,0]=4 35032 B12R1.8 FCCOCC[C@H]1COCCO1 63031bb1edbae2ff82373c3fbcc40d3f [0,2,0,1,0,0|1,0,0]=4 35033 B12R1.8 FCCOCOC1CCCCC1 7d7ac7c6a19ae48b1f0792da209c860e [0,2,0,1,0,0|1,0,0]=4 35034 B12R1.8 FCNCCCC1CCCCC1 53fcf17cae753940898f55ad87c36893 [0,2,0,1,0,0|1,0,0]=4 35035 B12R1.8 FCNCCCN1CCCCC1 7b7c94503897ba6f667910040cb09651 [0,2,0,1,0,0|1,0,0]=4 35036 B12R1.8 FCNCCOC1CCCCO1 1bd13014cec8272e7a35b8c843e5d791 [0,2,0,1,0,0|1,0,0]=4 35037 B12R1.8 FCOCCCC1CCCCC1 d0726fb42a01d855b966c2d241176627 [0,2,0,1,0,0|1,0,0]=4 35038 B12R1.8 FCOCCCN1CCCCC1 9d552859edc1e10297d33d1aa2aa5116 [0,2,0,1,0,0|1,0,0]=4 35039 B12R1.8 FCOCCOC1CCCCC1 794aa9325bcbbdd20da7cf50c31863cf [0,2,0,1,0,0|1,0,0]=4 35040 B12R1.8 FCOCCOC1CCCCO1 718121a5349449eddffef0fc453ad484 [0,2,0,1,0,0|1,0,0]=4 35041 B12R1.8 FCOCCOC1CCOCC1 ddca4ea9f2b0366c4ce8680139926781 [0,2,0,1,0,0|1,0,0]=4 35042 B12R1.8 ICCNCCC1CCCCC1 3989c38a49e3d040b84673ce34bbdc54 [0,2,0,1,0,0|1,0,0]=4 35043 B12R1.8 ICCNCCC1COCCO1 5823ca837efabbff57b3a9cefb4d7e70 [0,2,0,1,0,0|1,0,0]=4 35044 B12R1.8 ICCNCCN1CCCCC1 5a8877d4ae8825fed991172be15b6255 [0,2,0,1,0,0|1,0,0]=4 35045 B12R1.8 ICCNCCN1CCCCO1 4b32c86903871f74001ef710b9607884 [0,2,0,1,0,0|1,0,0]=4 35046 B12R1.8 ICCNCOC1CCCCC1 ac6c15539b6ce0cd269e8db79771cf98 [0,2,0,1,0,0|1,0,0]=4 35047 B12R1.8 N#CCCCNC1CCCCO1 167d17c630e73ee82841e0ff7431bf87 [0,2,0,1,0,0|0,0,1]=4 35048 B12R1.8 N#CCCCOC1CCCCC1 d0a2e8965ea6ccbdcef10099e2a1ff6f [0,2,0,1,0,0|0,0,1]=4 35049 B12R1.8 N#CCCCOC1CCCCO1 3f537fff4ef49054a92e773853d5c7ac [0,2,0,1,0,0|0,0,1]=4 35050 B12R1.8 N#CCCCOC1CCCOC1 d67f52fc781e70b020831fa9442a4e6d [0,2,0,1,0,0|0,0,1]=4 35051 B12R1.8 N#CCCCOC1CCCSC1 87dccf0f6a09a1906454807263f0f794 [0,2,0,1,0,0|0,0,1]=4 35052 B12R1.8 N#CCCCOC1CCOCC1 5c8891f96ecb7fef90e84ca9edf00a1b [0,2,0,1,0,0|0,0,1]=4 35053 B12R1.8 N#CCCCOC1CCSCC1 bed904e69d65f9ccb12ca364b13b005d [0,2,0,1,0,0|0,0,1]=4 35054 B12R1.8 N#CCCCO[C@@H]1CCCOC1 2aef493ab5ea841970591018e84417ae [0,2,0,1,0,0|0,0,1]=4 35055 B12R1.8 N#CCCCO[C@H]1CCCOC1 628c2ce8f1ffe88ba6f97385f5706b89 [0,2,0,1,0,0|0,0,1]=4 35056 B12R1.8 N#CCCNCC1CCCCO1 388af2d479dc4bb44d4c8d43b7e0dc29 [0,2,0,1,0,0|0,0,1]=4 35057 B12R1.8 N#CCCOCC1CCCCO1 495fe8348536dfd49f36b2475cf81a4a [0,2,0,1,0,0|0,0,1]=4 35058 B12R1.8 N#CCCOC[C@@H]1CCCCO1 fa0dfb22d28ffacd908c0e4f4bdb371d [0,2,0,1,0,0|0,0,1]=4 35059 B12R1.8 N#CCCOC[C@H]1CCCCO1 63c2d1b2a7e905416a98c582eae3c430 [0,2,0,1,0,0|0,0,1]=4 35060 B12R1.8 N#CCNCCC1CCCCO1 5ea160d5a772d17e834766e1fe082f9e [0,2,0,1,0,0|0,0,1]=4 35061 B12R1.8 N#CCOCCC1CCCCO1 d5411f7bb2c11fe0870c6a936641a9d0 [0,2,0,1,0,0|0,0,1]=4 35062 B12R1.8 NOCCNCC1CCCCO1 3366ef594bd77de1ee59bdb46750d28c [0,2,0,1,0,0|1,0,0]=4 35063 B12R1.8 O=CCCCOC1CCCCC1 1ce0ae8a9dc190679f35d0f040ac09b5 [0,2,0,1,0,0|0,0,1]=4 35064 B12R1.8 O=CCCCOC1CCCCO1 581039bb71c8c4ac53c50c6e4bc790d8 [0,2,0,1,0,0|0,0,1]=4 35065 B12R1.8 O=CCCCOC1CCCOC1 93bd391348ade1c3ced1e5853aa034ce [0,2,0,1,0,0|0,0,1]=4 35066 B12R1.8 O=CCCCOC1CCCSC1 07a3286b8b639fba973d4d8bfd5ab311 [0,2,0,1,0,0|0,0,1]=4 35067 B12R1.8 O=CCCCOC1CCOCC1 f7f32a664166b0e0d78870e5fef8f817 [0,2,0,1,0,0|0,0,1]=4 35068 B12R1.8 O=CCCCOC1CCSCC1 b83b1c6c10053b153370c883a1e8f20c [0,2,0,1,0,0|0,0,1]=4 35069 B12R1.8 O=CCCCO[C@@H]1CCCOC1 c64948e9d9636dd20c583c08b77a941b [0,2,0,1,0,0|0,0,1]=4 35070 B12R1.8 O=CCCCO[C@H]1CCCOC1 cf28cb6f21d9db5b5e96c7bf367c656a [0,2,0,1,0,0|0,0,1]=4 35071 B12R1.8 O=CCCNCC1CCCCO1 a43a18f9749270249603bb9b2d49f509 [0,2,0,1,0,0|0,0,1]=4 35072 B12R1.8 O=CCCOCC1CCCCO1 abedf0810c41da553bfb49c84ffa922c [0,2,0,1,0,0|0,0,1]=4 35073 B12R1.8 O=CCCOC[C@@H]1CCCCO1 73f960e9bff2babdd5fc3904e5bf5fea [0,2,0,1,0,0|0,0,1]=4 35074 B12R1.8 O=CCCOC[C@H]1CCCCO1 94d89a79f2d4ef64f813080d4a595ed5 [0,2,0,1,0,0|0,0,1]=4 35075 B12R1.8 O=CCNCCC1CCCCO1 fc314c261515cb36ca10a598fcc08d88 [0,2,0,1,0,0|0,0,1]=4 35076 B12R1.8 O=CCOCCC1CCCCO1 505dc5136f21ab35e095a56f42573bd2 [0,2,0,1,0,0|0,0,1]=4 35077 B12R1.8 OCCCCCN1CCCOC1 5246a00ea990c089ec04072483de490c [0,2,0,1,0,0|1,0,0]=4 35078 B12R1.8 OCCCCCN1CCCSC1 09b46a863a98bbee1ce547dc3512424e [0,2,0,1,0,0|1,0,0]=4 35079 B12R1.8 OCCCCCN1CCOCC1 256a0b821904c3b149111f9046811069 [0,2,0,1,0,0|1,0,0]=4 35080 B12R1.8 OCCCCCN1CCSCC1 134beaa2c64953b3e6e11ce470f279f3 [0,2,0,1,0,0|1,0,0]=4 35081 B12R1.8 OCCCCNC1CCCCC1 74eb085903e8c8017afdb60ddbe20518 [0,2,0,1,0,0|1,0,0]=4 35082 B12R1.8 OCCCCNC1CCCCO1 823c153c0307383c9054f147b740327e [0,2,0,1,0,0|0,0,0]=3 35083 B12R1.8 OCCCCNC1CCCOC1 448fe89cde5ee89990458ea666320e19 [0,2,0,1,0,0|1,0,0]=4 35084 B12R1.8 OCCCCNC1CCOCC1 1ea92dca816acde8668721722af10be8 [0,2,0,1,0,0|1,0,0]=4 35085 B12R1.8 OCCCCNC1CCSCC1 5306290e5a358c0d5f2194dde7d77c41 [0,2,0,1,0,0|1,0,0]=4 35086 B12R1.8 OCCCCN[C@@H]1CCCOC1 e3d5a5ce42b826db54dbc1aa2f7d9fcf [0,2,0,1,0,0|1,0,0]=4 35087 B12R1.8 OCCCCN[C@H]1CCCOC1 f5a5e8f4d460e8f936c56d5629b8e242 [0,2,0,1,0,0|1,0,0]=4 35088 B12R1.8 OCCCNCC1CCCCC1 fac072aa4ab9eb3451a69f9fc78c7f63 [0,2,0,1,0,0|1,0,0]=4 35089 B12R1.8 OCCCNCC1CCCCO1 b9c9c17722da6b43a8c3e2cf6cd1318d [0,2,0,1,0,0|0,0,0]=3 35090 B12R1.8 OCCCNCC1COCCO1 3f21a51a04efe2e431c3b1532555b6cc [0,2,0,1,0,0|1,0,0]=4 35091 B12R1.8 OCCCNC[C@H]1COCCO1 44aa34564675522f2a8165118de49bd0 [0,2,0,1,0,0|1,0,0]=4 35092 B12R1.8 OCCNCCC1CCCCC1 b41ba2fcd1f826d0f683e2a8a7adb357 [0,2,0,1,0,0|1,0,0]=4 35093 B12R1.8 OCCNCCC1CCCCO1 672a9bd83a7e3dc0edce0628e0080e9a [0,2,0,1,0,0|0,0,0]=3 35094 B12R1.8 OCCNCCC1COCCO1 58cdae22ad0cb02bbfb1fb2f42cf3698 [0,2,0,1,0,0|1,0,0]=4 35095 B12R1.8 OCCNCCN1CCCCC1 29a624ef0dfcb39249940ac8be5f48ae [0,2,0,1,0,0|1,0,0]=4 35096 B12R1.8 OCCNCCN1CCCCO1 a80c93c2589a3beaee62b0e8f042a201 [0,2,0,1,0,0|1,0,0]=4 35097 B12R1.8 OCCNCOC1CCCCC1 c3dbbf8b99ab7f91e2b4579faafd7ac3 [0,2,0,1,0,0|1,0,0]=4 35098 B12R1.8 OCNCCCC1CCCCC1 6ecf9b1a3818e1bb2ecedadeae09f41d [0,2,0,1,0,0|1,0,0]=4 35099 B12R1.8 OCNCCCN1CCCCC1 e54f4a33814d57a0687493e8cef25ee7 [0,2,0,1,0,0|1,0,0]=4 35100 B12R1.8 OCNCCOC1CCCCO1 18977d1e1cd15f1f2dd618fd70eab082 [0,2,0,1,0,0|1,0,0]=4 35101 B12R1.8 SCCCCNC1CCCCC1 6d3cf63551d9fec6d194638790f83549 [0,2,0,1,0,0|1,0,0]=4 35102 B12R1.8 SCCCCNC1CCCCO1 a50d2b065cea9086fd9e506bcad081a4 [0,2,0,1,0,0|0,0,0]=3 35103 B12R1.8 SCCCCNC1CCCOC1 7afd33347bcab53f1855712a0767977a [0,2,0,1,0,0|1,0,0]=4 35104 B12R1.8 SCCCCNC1CCOCC1 f00eb45b725a7a41d48fc4af34432631 [0,2,0,1,0,0|1,0,0]=4 35105 B12R1.8 SCCCCNC1CCSCC1 671581ddef6528dfd1ab627e5ea5927b [0,2,0,1,0,0|1,0,0]=4 35106 B12R1.8 SCCCCOC1C=CCCC1 2e84d7311aa0f3df129d9173ac3af853 [0,2,0,1,0,0|0,0,1]=4 35107 B12R1.8 SCCCCOC1CCCCC1 cff6e659fe6a8d4500aa9d84e957d769 [0,2,0,1,0,0|0,0,0]=3 35108 B12R1.8 SCCCCOC1CCCCO1 75205f83a207ab5e173b5294988e68c8 [0,2,0,1,0,0|0,0,0]=3 35109 B12R1.8 SCCCCOC1CCCOC1 c689446b521f84f40f17402ab2026707 [0,2,0,1,0,0|0,0,0]=3 35110 B12R1.8 SCCCCOC1CCOCC1 61a22cb6db1904a036d1442b068599ba [0,2,0,1,0,0|0,0,0]=3 35111 B12R1.8 SCCCCOC1CCSCC1 c49c1eec553ff42076a0cf74c29c4ed3 [0,2,0,1,0,0|0,0,0]=3 35112 B12R1.8 SCCCNCC1CCCCC1 74412e3e247a5b359707b01426d61e79 [0,2,0,1,0,0|1,0,0]=4 35113 B12R1.8 SCCCNCC1CCCCO1 aa2f2fd7308f1adcc3290479db4b34b0 [0,2,0,1,0,0|0,0,0]=3 35114 B12R1.8 SCCCNCC1COCCO1 3bc19c41e7a332565237e33b31f73a4a [0,2,0,1,0,0|1,0,0]=4 35115 B12R1.8 SCCCNC[C@H]1COCCO1 57ddc9284c26de78313b9cfb117202f7 [0,2,0,1,0,0|1,0,0]=4 35116 B12R1.8 SCCCOCC1CC=CCC1 434478fe2fb25d7f6c4ad69cda7c0a91 [0,2,0,1,0,0|1,0,0]=4 35117 B12R1.8 SCCCOCC1CCCCC1 cea78c170c1a32d7baa3bb53981c5fa6 [0,2,0,1,0,0|1,0,0]=4 35118 B12R1.8 SCCCOCC1CCCCO1 8ed933d62e07fa45dba3f9b962aa9ce1 [0,2,0,1,0,0|0,0,0]=3 35119 B12R1.8 SCCCOCC1CCCOC1 703176ab65400f2c7eb3cf1396e06960 [0,2,0,1,0,0|1,0,0]=4 35120 B12R1.8 SCCCOCC1CCOCC1 866ff6711a5307cb0a3b44a9e0974ba0 [0,2,0,1,0,0|1,0,0]=4 35121 B12R1.8 SCCCOCC1CCSCC1 96ce7b00be9601701e1ad18ff7d9e59a [0,2,0,1,0,0|1,0,0]=4 35122 B12R1.8 SCCCOCC1COCCO1 1eb9460796dc58f68e6ba5106bfacf45 [0,2,0,1,0,0|1,0,0]=4 35123 B12R1.8 SCCCOC[C@@H]1CC=CCC1 1d8e43966b668455e9c40505fa868e32 [0,2,0,1,0,0|1,0,0]=4 35124 B12R1.8 SCCCOC[C@@H]1CCCCO1 57015a9f84190602a771984402c8d9d1 [0,2,0,1,0,0|0,0,0]=3 35125 B12R1.8 SCCCOC[C@@H]1CCCOC1 b1672e314b83c6bcd7d5207158897836 [0,2,0,1,0,0|1,0,0]=4 35126 B12R1.8 SCCCOC[C@@H]1COCCO1 2d8e079044e530e2ffe9e1ac23c1d1d9 [0,2,0,1,0,0|1,0,0]=4 35127 B12R1.8 SCCCOC[C@H]1CC=CCC1 50cd48c92c5ca1d12b996da1988816aa [0,2,0,1,0,0|1,0,0]=4 35128 B12R1.8 SCCCOC[C@H]1CCCCO1 36e25195d90c2680d50acce09145bb00 [0,2,0,1,0,0|0,0,0]=3 35129 B12R1.8 SCCCOC[C@H]1CCCOC1 91aaebd0db3d54309adbd440fe9da9ce [0,2,0,1,0,0|1,0,0]=4 35130 B12R1.8 SCCCOC[C@H]1COCCO1 22c21edad8d8846529236fbd645ae134 [0,2,0,1,0,0|1,0,0]=4 35131 B12R1.8 SCCNCCC1CCCCC1 67e253173f3298ccd0a63e04ceb38f66 [0,2,0,1,0,0|1,0,0]=4 35132 B12R1.8 SCCNCCC1CCCCO1 f68ee78ec515f563144cd1e1d6d8e6b6 [0,2,0,1,0,0|0,0,0]=3 35133 B12R1.8 SCCNCCC1COCCO1 798e6ac43224bf0a100e7fa06bce677f [0,2,0,1,0,0|1,0,0]=4 35134 B12R1.8 SCCNCCN1CCCCC1 0f8ebb28e86e97600a4ddd8965ef0c14 [0,2,0,1,0,0|1,0,0]=4 35135 B12R1.8 SCCNCCN1CCCCO1 0ddd032954c358802962da63a8629807 [0,2,0,1,0,0|1,0,0]=4 35136 B12R1.8 SCCNCOC1CCCCC1 e0bf31b3f193438c79499fa2b925a443 [0,2,0,1,0,0|1,0,0]=4 35137 B12R1.8 SCCOCCC1CCCCC1 a0935865ae6d775120ca9b050e96229f [0,2,0,1,0,0|1,0,0]=4 35138 B12R1.8 SCCOCCC1CCCCO1 40f9cfe1fb82f15451033ebf9d4e293b [0,2,0,1,0,0|0,0,0]=3 35139 B12R1.8 SCCOCCC1COCCO1 1e23773f6a70a6022e6f5ee972879976 [0,2,0,1,0,0|1,0,0]=4 35140 B12R1.8 SCCOCCN1CCCCC1 451ef56bcf779a03097b417198385319 [0,2,0,1,0,0|1,0,0]=4 35141 B12R1.8 SCCOCC[C@@H]1COCCO1 15fd5b84d9ff16af4e9a7de695ab45ca [0,2,0,1,0,0|1,0,0]=4 35142 B12R1.8 SCCOCC[C@H]1COCCO1 f8def05f30948abfc1932efefd9cba03 [0,2,0,1,0,0|1,0,0]=4 35143 B12R1.8 SCCOCOC1CCCCC1 eca4f4d53b3423bab44a88f6885fd430 [0,2,0,1,0,0|1,0,0]=4 35144 B12R1.30 CCCCC(C)N1CCCOC1 789f6cc4fbec33b0d29d9a308a692811 [0,2,0,1,0,0|1,0,0]=4 35145 B12R1.30 CCCCC(C)N1CCCSC1 ebe2a6eb813ed2fd6c5c857a0b42f0ac [0,2,0,1,0,0|1,0,0]=4 35146 B12R1.30 CCCCC(C)N1CCOCC1 77498a94af92a6bd75881fb1fcffa3b6 [0,2,0,1,0,0|1,0,0]=4 35147 B12R1.30 CCCCC(C)N1CCSCC1 92b119051bdd13d532c1b8335dd0eec2 [0,2,0,1,0,0|1,0,0]=4 35148 B12R1.30 CCCCN(C)C1CCCCC1 6e3171a10260dcae65029b078f4ca8fb [0,2,0,1,0,0|1,0,0]=4 35149 B12R1.30 CCCCN(C)C1CCCCO1 adc2683d4ca352a152808bed795353d7 [0,2,0,1,0,0|0,0,0]=3 35150 B12R1.30 CCCCN(C)C1CCCOC1 f53b084b616e3e6f01db603aeef85a7a [0,2,0,1,0,0|1,0,0]=4 35151 B12R1.30 CCCCN(C)C1CCOCC1 5dc99c1d88e0e030ef83b12b49e1cdcb [0,2,0,1,0,0|1,0,0]=4 35152 B12R1.30 CCCCN(C)C1CCSCC1 24d66c4d2149e17f0d8542eeb470bcb5 [0,2,0,1,0,0|1,0,0]=4 35153 B12R1.30 CCCNC(=O)C1CCCCO1 0c161c07d478c4e32dc5c8861268d51b [0,2,0,1,0,0|0,0,1]=4 35154 B12R1.30 CCCNC(=O)[C@@H]1CCCCO1 2e71d3dee9a822bae4ffcf9caff29cd9 [0,2,0,1,0,0|0,0,1]=4 35155 B12R1.30 CCCNC(=O)[C@H]1CCCCO1 27cbda1972c229c77114ea6ed41a1a07 [0,2,0,1,0,0|0,0,1]=4 35156 B12R1.30 CCCNC(C)C1CCCCC1 9e6d448ddb436d354dd9eadb01aa0b97 [0,2,0,1,0,0|1,0,0]=4 35157 B12R1.30 CCCN[C@@H](C)C1CCCCC1 652731463232e8667589386cf4dec8b3 [0,2,0,1,0,0|1,0,0]=4 35158 B12R1.30 CCCN[C@H](C)C1CCCCC1 f6c5d63a13caf792e98d50a3ba46597c [0,2,0,1,0,0|1,0,0]=4 35159 B12R1.30 CCCOC(C)C1CCCCC1 3b83792a9b182be1769028e8da363795 [0,2,0,1,0,0|1,0,0]=4 35160 B12R1.30 CCCO[C@@H](C)C1CCCCC1 9aa507c9cec4ec077a51b5298f76d146 [0,2,0,1,0,0|1,0,0]=4 35161 B12R1.30 CCCO[C@H](C)C1CCCCC1 f4790aff7958929565772ba8f9cf2e67 [0,2,0,1,0,0|1,0,0]=4 35162 B12R1.30 CCNCC(C)N1CCCCC1 1ffa720850deb9dad9ce642d2534a2e9 [0,2,0,1,0,0|1,0,0]=4 35163 B12R1.30 CCNCC(O)C1CCCCC1 abe381200e6a29ff6eafe7e3a7f404b1 [0,2,0,1,0,0|1,0,0]=4 35164 B12R1.30 CCOCC(C)C1CCCCC1 b3d174cef38070f37702a5f0498742ab [0,2,0,1,0,0|1,0,0]=4 35165 B12R1.30 CCOCC(C)N1CCCCC1 de5a7a7a40073a4d5f67bad375b2732c [0,2,0,1,0,0|1,0,0]=4 35166 B12R1.30 CN(CCCO)C1CCCCO1 393cfc30f70906cd6a71ef35eca8e7f8 [0,2,0,1,0,0|1,0,0]=4 35167 B12R1.30 COCCN(C)C1CCCCO1 639096bcbef3eaaee7a3aba0c8916daf [0,2,0,1,0,0|1,0,0]=4 35168 B12R1.52 CCN[C@H]1CCCCCC[C@@H]1O c2a15b6f23f81f09f6169612a5318c2f [0,2,0,1,0,0|1,0,0]=4 35169 B12R1.112 CCN[C@@H]1CCN(C[C@H]1CC)C 29721a7f208e62593c0a964a711139df [0,2,0,1,0,0|1,0,0]=4 35170 B12R1.267 CC1CCCCC1CNCCF b839983148f5a8c132d811e60bbc3b8a [0,2,0,1,0,0|1,0,0]=4 35171 B12R1.267 CC1CCCCC1CNCCO cd6934d080269d9d84bea2c4f835ae58 [0,2,0,1,0,0|1,0,0]=4 35172 B12R1.267 CC1CCCCC1CNCCS 5779546cde12ea8af02d25ae05794c47 [0,2,0,1,0,0|1,0,0]=4 35173 B12R1.267 CC1CCCCC1NCCCF 806fe4ed9e4416a49fa52ff12de99b86 [0,2,0,1,0,0|1,0,0]=4 35174 B12R1.267 CC1CCCCC1NCCCO 8080d1696c25dbd39d13e81f494f7893 [0,2,0,1,0,0|1,0,0]=4 35175 B12R1.267 CC1CCCCC1NCCCS 11904ba20cd824c91f02fe1fa290df4d [0,2,0,1,0,0|1,0,0]=4 35176 B12R1.267 CC1CCCCC1OCCCF f6a31ef82c5a3742f9c6d4b01602ae1b [0,2,0,1,0,0|1,0,0]=4 35177 B12R1.267 CC1CCCCC1OCCCS 05fb5f21e2f5f2aee4b62709159d2627 [0,2,0,1,0,0|1,0,0]=4 35178 B12R1.267 CC1CCCCN1CCCCF de7f7bd9c54d784999e636e6628f0d94 [0,2,0,1,0,0|1,0,0]=4 35179 B12R1.267 CC1CCCCN1CCCCO fda0a2e39c540a0fcafa720973424910 [0,2,0,1,0,0|1,0,0]=4 35180 B12R1.267 CC1COCCC1OCCCF 9c49702ddcc1c5210a71b8049bf0ea31 [0,2,0,1,0,0|1,0,0]=4 35181 B12R1.267 CC1COCCC1OCCCS d6ee43f878fe84ec4fe8b817ed2cebcb [0,2,0,1,0,0|1,0,0]=4 35182 B12R1.267 CC1COCCN1CCCCF 6bc681ce690b235f37e0c95fbd0af9f7 [0,2,0,1,0,0|1,0,0]=4 35183 B12R1.267 CC1COCCN1CCCCO 7bd7bf2e076e982b9710bd6f4a0b3213 [0,2,0,1,0,0|1,0,0]=4 35184 B12R1.267 CCCCCN1CCCCC1C bc4ce935f616432a4c02f795c816f775 [0,2,0,1,0,0|1,0,0]=4 35185 B12R1.267 CCCCCN1CCCC[C@@H]1C 894f1ba475321f0fa0f6bbca175f26e1 [0,2,0,1,0,0|1,0,0]=4 35186 B12R1.267 CCCCCN1CCCC[C@H]1C 974fe329bf36d669723d9bd43fd83dd8 [0,2,0,1,0,0|1,0,0]=4 35187 B12R1.267 CCCCCN1CCOCC1C d16db5f0947260cb03b61e74b22b9936 [0,2,0,1,0,0|1,0,0]=4 35188 B12R1.267 CCCCCN1CCOC[C@@H]1C 084666ce9d012145130c7bf9c8792c46 [0,2,0,1,0,0|1,0,0]=4 35189 B12R1.267 CCCCCN1CCOC[C@H]1C 3847f62585a29b96ec251e752b092a4d [0,2,0,1,0,0|1,0,0]=4 35190 B12R1.267 CCCCNC1CCCCC1=O 1f579042bd80b775702b1968f3de84f9 [0,2,0,1,0,0|1,0,0]=4 35191 B12R1.267 CCCCNC1CCCCC1C 9ff2ecfdbc83741c5e560faccedc01fb [0,2,0,1,0,0|1,0,0]=4 35192 B12R1.267 CCCCNC1CCCCC1F f5bc6eaf360ee45a3cf7a7201f074296 [0,2,0,1,0,0|1,0,0]=4 35193 B12R1.267 CCCCNC1CCCCC1O 07d3bfbd33594c1f67c71be3f5de8cb6 [0,2,0,1,0,0|1,0,0]=4 35194 B12R1.267 CCCCNC1CCOCC1C ceb6d061fa06e775be1b2bdc9f769c87 [0,2,0,1,0,0|1,0,0]=4 35195 B12R1.267 CCCCNC1CCOCC1O 4b0eb0eaed69dc5c963ae5484f443ad8 [0,2,0,1,0,0|1,0,0]=4 35196 B12R1.267 CCCCN[C@@H]1CCCC[C@@H]1C d6fc2682d99178600609314b9a90bcbd [0,2,0,1,0,0|1,0,0]=4 35197 B12R1.267 CCCCN[C@@H]1CCCC[C@H]1C 90891e169d0b8a2356c96be1f140520a [0,2,0,1,0,0|1,0,0]=4 35198 B12R1.267 CCCCN[C@@H]1CCCC[C@H]1O f06ec26b0a0d5ddd148df6917f226f92 [0,2,0,1,0,0|1,0,0]=4 35199 B12R1.267 CCCCN[C@@H]1CCOC[C@@H]1C 1f6754b606b8eb044f9f161df23867e1 [0,2,0,1,0,0|1,0,0]=4 35200 B12R1.267 CCCCN[C@@H]1CCOC[C@@H]1O 509cb406790d15ac46e14dfc8c8efdbe [0,2,0,1,0,0|1,0,0]=4 35201 B12R1.267 CCCCN[C@@H]1CCOC[C@H]1F ccbe620869ea53f2a9517f57f090713a [0,2,0,1,0,0|1,0,0]=4 35202 B12R1.267 CCCCN[C@@H]1CCOC[C@H]1O 0cb349ccb952c6f8f603d36acd1ef152 [0,2,0,1,0,0|1,0,0]=4 35203 B12R1.267 CCCCN[C@@H]1COCC[C@@H]1O fc1327eda4d2e8e428fe56cbd7c141fc [0,2,0,1,0,0|1,0,0]=4 35204 B12R1.267 CCCCN[C@@H]1COCC[C@H]1O 179071fe51e6cd48b27084f1823d49d4 [0,2,0,1,0,0|1,0,0]=4 35205 B12R1.267 CCCCN[C@H]1CCCC[C@@H]1C 4b7e35d54b2d60d2566b345d3850f9bb [0,2,0,1,0,0|1,0,0]=4 35206 B12R1.267 CCCCN[C@H]1CCCC[C@@H]1O a1d102a85e7609b1773aac16e0fc0699 [0,2,0,1,0,0|1,0,0]=4 35207 B12R1.267 CCCCN[C@H]1CCCC[C@H]1C 36548fab8d6a29ee163e302667e23dab [0,2,0,1,0,0|1,0,0]=4 35208 B12R1.267 CCCCN[C@H]1CCCC[C@H]1O db40fa0717ea50f143718821fb84b0e0 [0,2,0,1,0,0|1,0,0]=4 35209 B12R1.267 CCCCN[C@H]1CCOC[C@@H]1F aa86940050ad68ab75e317a9fece71d5 [0,2,0,1,0,0|1,0,0]=4 35210 B12R1.267 CCCCN[C@H]1CCOC[C@@H]1O 6d7e816b83427cba87d23fba5bad94ec [0,2,0,1,0,0|1,0,0]=4 35211 B12R1.267 CCCCN[C@H]1CCOC[C@H]1C 6ad5a45ba2635545a68730d1ce64563d [0,2,0,1,0,0|1,0,0]=4 35212 B12R1.267 CCCCN[C@H]1CCOC[C@H]1O cc827f6b374963551b1ac7969a27bf47 [0,2,0,1,0,0|1,0,0]=4 35213 B12R1.267 CCCCN[C@H]1COCC[C@@H]1O 3c80447fa16809f12e0b37343a5a8d85 [0,2,0,1,0,0|1,0,0]=4 35214 B12R1.267 CCCCN[C@H]1COCC[C@H]1O 0bf720786969bf49626579c74d95561f [0,2,0,1,0,0|1,0,0]=4 35215 B12R1.267 CCCCOC1CCCC=C1Br e656af5c8ae147c301934c07dab43e2d [0,2,0,1,0,0|0,0,1]=4 35216 B12R1.267 CCCCOC1CCCCC1=O 9b929e3937802070516da9a8db8ff919 [0,2,0,1,0,0|0,0,0]=3 35217 B12R1.267 CCCCOC1CCCCC1C 0b4252dfab3190edc1372beb0e4d8e5e [0,2,0,1,0,0|0,0,0]=3 35218 B12R1.267 CCCCOC1CCCCC1F 784792db64a7f5d4c1a64885b303502a [0,2,0,1,0,0|0,0,0]=3 35219 B12R1.267 CCCCOC1CCCNC1=O f1de504acf4b5c03ae5b5c371f6cca84 [0,2,0,1,0,0|0,0,1]=4 35220 B12R1.267 CCCCOC1CCCOC1=O 3402da1871c1610f2f40f0fcae99a420 [0,2,0,1,0,0|0,0,1]=4 35221 B12R1.267 CCCCOC1CCOCC1C 59a454417a270c1c00ffe239b14e5e39 [0,2,0,1,0,0|0,0,0]=3 35222 B12R1.267 CCCCOC1CCOCC1F 6e308d50bf2b820546da8b4c443e9c9a [0,2,0,1,0,0|0,0,0]=3 35223 B12R1.267 CCCCOC1COCCC1=O 8ad9a2573a53d0662dfc914e3c4c08da [0,2,0,1,0,0|0,0,1]=4 35224 B12R1.267 CCCCOC1SCCCC1=O f62d3ad31bb3a8b634282fa795524049 [0,2,0,1,0,0|0,0,1]=4 35225 B12R1.267 CCCCO[C@@H]1CCCC[C@@H]1C 880e831d8ed1ac6f7ae1d5196dab8ace [0,2,0,1,0,0|0,0,0]=3 35226 B12R1.267 CCCCO[C@@H]1CCCC[C@H]1F 0a54b5d8abec3bd510c992898b700f1d [0,2,0,1,0,0|0,0,0]=3 35227 B12R1.267 CCCCO[C@@H]1CCCNC1=O 9e6bb672ef64e85cc9c62c1704a64664 [0,2,0,1,0,0|0,0,1]=4 35228 B12R1.267 CCCCO[C@@H]1CCOC[C@@H]1F 50dc5b346c439b09032c203b81d96a55 [0,2,0,1,0,0|0,0,0]=3 35229 B12R1.267 CCCCO[C@H]1CCCC[C@@H]1C 4b13b293f7fe880109e261cad154359a [0,2,0,1,0,0|0,0,0]=3 35230 B12R1.267 CCCCO[C@H]1CCCC[C@H]1C f85fb74ffaec2ba80c48ea89e21ad343 [0,2,0,1,0,0|0,0,0]=3 35231 B12R1.267 CCCCO[C@H]1CCCNC1=O 329bc2a5413b0c8b071170b6c0bca00d [0,2,0,1,0,0|0,0,1]=4 35232 B12R1.267 CCCCO[C@H]1CCOC[C@@H]1F a100974f7576909b54828b38cdacd73c [0,2,0,1,0,0|0,0,0]=3 35233 B12R1.267 CCCCO[C@H]1CCOC[C@H]1F 3d653fbd5e40f8b9d805b98e76dabd8e [0,2,0,1,0,0|0,0,0]=3 35234 B12R1.267 CCCNCC1CCCCC1C f47112bfffbea6d6130abee7aca6e9c5 [0,2,0,1,0,0|1,0,0]=4 35235 B12R1.267 CCCNCC1CCCCC1O 4c1e2bf92072f12ce5daa2c95eec0e23 [0,2,0,1,0,0|1,0,0]=4 35236 B12R1.267 CCCNCC1CCCCN1C f32c1e09466c248465d900b49eb61e95 [0,2,0,1,0,0|1,0,0]=4 35237 B12R1.267 CCCNCC1COCCN1C 49bb7184b317729360a2a33f26172b77 [0,2,0,1,0,0|1,0,0]=4 35238 B12R1.267 CCCNC[C@@H]1COCCN1C e13052d294edfa271ee68aa2a0d64b8d [0,2,0,1,0,0|1,0,0]=4 35239 B12R1.267 CCCOCC1CCCCC1=O 9b81379f43d6f65d7dc1849190a709dd [0,2,0,1,0,0|1,0,0]=4 35240 B12R1.267 CCCOCC1CCCCN1C bf13af86b5f7ffc9853fbaa4db3994fd [0,2,0,1,0,0|1,0,0]=4 35241 B12R1.267 CCCOCC1COCCN1C 953eaebab558df78e3b0bc7807307ae4 [0,2,0,1,0,0|1,0,0]=4 35242 B12R1.267 CCCOC[C@@H]1CCCCN1C f883cc5be3b1dc596174cfe8305a8260 [0,2,0,1,0,0|1,0,0]=4 35243 B12R1.267 CCCOC[C@@H]1COCCN1C c34f9e1832f18d7bb2df3c7215baba20 [0,2,0,1,0,0|1,0,0]=4 35244 B12R1.267 CCCOC[C@H]1CCCCN1C 9e364d93592a5207daf18b09184b19b3 [0,2,0,1,0,0|1,0,0]=4 35245 B12R1.267 CCCOC[C@H]1COCCN1C ecb1ccccedba9ffadda40465d1fc2eb7 [0,2,0,1,0,0|1,0,0]=4 35246 B12R1.267 CCNCCC1CCCCN1C 0f47befcec49c12b43f854fcf2785574 [0,2,0,1,0,0|1,0,0]=4 35247 B12R1.267 CCNCCN1CCCCC1C df5bd519e8d85056ddac0e55cee6974f [0,2,0,1,0,0|1,0,0]=4 35248 B12R1.267 CCNCCN1CCOCC1C b05b82b8be4e7f0f09006f6fede1bd2d [0,2,0,1,0,0|1,0,0]=4 35249 B12R1.267 CCOCCC1CCCCN1C b6afa708c0f179e074bb1311ea754792 [0,2,0,1,0,0|1,0,0]=4 35250 B12R1.267 CCOCCN1CCCCC1C 098078709d498adc5a860a4e5074fdae [0,2,0,1,0,0|1,0,0]=4 35251 B12R1.267 CCOCCN1CCCC[C@@H]1C cca809135cc67e94270184f79901373f [0,2,0,1,0,0|1,0,0]=4 35252 B12R1.267 CCOCCN1CCCC[C@H]1C 8a7e1c0c17ce5ab2e8add42e8660ccca [0,2,0,1,0,0|1,0,0]=4 35253 B12R1.267 CCOCCN1CCOCC1C 6169c67d87fc2d3c4b632c9cbe009aef [0,2,0,1,0,0|1,0,0]=4 35254 B12R1.267 CCOCCN1CCOC[C@@H]1C c50b971d124a828c64f66a979775e591 [0,2,0,1,0,0|1,0,0]=4 35255 B12R1.267 CCOCCN1CCOC[C@H]1C 0f4da1753dc88c76755a1f5679164fee [0,2,0,1,0,0|1,0,0]=4 35256 B12R1.267 CCOCNC1CCCCC1C 16e9262d7ee8d6d543cc4ff0a4efe263 [0,2,0,1,0,0|1,0,0]=4 35257 B12R1.267 CCOCN[C@@H]1CCCC[C@@H]1C 2c94842d02807be359419fbb65cd0492 [0,2,0,1,0,0|1,0,0]=4 35258 B12R1.267 CCOCN[C@@H]1CCCC[C@H]1C b2db245f6d3038fe367d0eecb86d03a0 [0,2,0,1,0,0|1,0,0]=4 35259 B12R1.267 CCOCN[C@@H]1COCC[C@@H]1O 96e8a123ee7d555ec9535d4894c2ddda [0,2,0,1,0,0|1,0,0]=4 35260 B12R1.267 CCOCN[C@@H]1COCC[C@H]1O b0956a76df69da87d9ea15515f251f98 [0,2,0,1,0,0|1,0,0]=4 35261 B12R1.267 CCOCN[C@H]1CCCC[C@@H]1C bc1778920770450a0529cc62d8b8d303 [0,2,0,1,0,0|1,0,0]=4 35262 B12R1.267 CCOCN[C@H]1CCCC[C@H]1C 80d5c42518643a642ae6becc3bb646cd [0,2,0,1,0,0|1,0,0]=4 35263 B12R1.267 CCOCN[C@H]1COCC[C@@H]1O 1c1dcfa35035e7a4f3815cc16e8c1c0d [0,2,0,1,0,0|1,0,0]=4 35264 B12R1.267 CCOCN[C@H]1COCC[C@H]1O 8410db53cef717126baa446bf783519b [0,2,0,1,0,0|1,0,0]=4 35265 B12R1.267 CCOCOC1CCCCC1C 1b69cb068c7e729c4b2d167744c59328 [0,2,0,1,0,0|1,0,0]=4 35266 B12R1.267 CCOCOC1CCCCC1F 92f01fc222ac4ef44c72e44cf4e86f0d [0,2,0,1,0,0|1,0,0]=4 35267 B12R1.267 CCOCOC1CCOCC1C 8cb82ffb7b0dbcdbaaa8a199c14cc491 [0,2,0,1,0,0|1,0,0]=4 35268 B12R1.267 CCOCOC1CCOCC1F 48c59aa4a72c680ea36808defe247b96 [0,2,0,1,0,0|1,0,0]=4 35269 B12R1.267 CCOCO[C@@H]1CCCC[C@@H]1C c5787d0818344342adf6e72d929553e4 [0,2,0,1,0,0|1,0,0]=4 35270 B12R1.267 CCOCO[C@@H]1CCCC[C@H]1F c842c61bfb230c03903b2729d1391247 [0,2,0,1,0,0|1,0,0]=4 35271 B12R1.267 CCOCO[C@@H]1CCOC[C@@H]1F 9ebd838d9cb6bf986794bfa5a46bf38a [0,2,0,1,0,0|1,0,0]=4 35272 B12R1.267 CCOCO[C@H]1CCCC[C@@H]1C 0b309426b1b1be3ff09de3457de0f184 [0,2,0,1,0,0|1,0,0]=4 35273 B12R1.267 CCOCO[C@H]1CCCC[C@H]1C 9ca0840352ed392b30c1ceaa9279469b [0,2,0,1,0,0|1,0,0]=4 35274 B12R1.267 CCOCO[C@H]1CCOC[C@@H]1F 38da565d9e71dad89290fba047d1efc5 [0,2,0,1,0,0|1,0,0]=4 35275 B12R1.267 CCOCO[C@H]1CCOC[C@H]1F 6213bb4f421a79dfa3e2eeb783b9969c [0,2,0,1,0,0|1,0,0]=4 35276 B12R1.267 CCSCCN1CCCCC1C 3abb3df52faba082153b3ba21322b865 [0,2,0,1,0,0|1,0,0]=4 35277 B12R1.267 CCSCCN1CCCC[C@@H]1C 662217054c4f7ec2c06d6bbb58e8d5b8 [0,2,0,1,0,0|1,0,0]=4 35278 B12R1.267 CCSCCN1CCCC[C@H]1C af3926712e879df9159f5a5fa36b304f [0,2,0,1,0,0|1,0,0]=4 35279 B12R1.267 CCSCCN1CCOCC1C bfedfbbfd9c59e7466dc930b5c0c785a [0,2,0,1,0,0|1,0,0]=4 35280 B12R1.267 CCSCCN1CCOC[C@@H]1C 95cfe66415b714581eceb33957b2e1f8 [0,2,0,1,0,0|1,0,0]=4 35281 B12R1.267 CCSCCN1CCOC[C@H]1C a4226183aa5714d790b84fc13b994f2c [0,2,0,1,0,0|1,0,0]=4 35282 B12R1.267 CN1CCOCC1CNCCF 14196df3b7de2fd41f444b8a7c593dd8 [0,2,0,1,0,0|1,0,0]=4 35283 B12R1.267 CN1CCOCC1CNCCO 2f7db5bd9f40d40d408dfa7eb4133f61 [0,2,0,1,0,0|1,0,0]=4 35284 B12R1.267 CN1CCOCC1CNCCS ea2f05ccae92ee068b11da8a5891ee64 [0,2,0,1,0,0|1,0,0]=4 35285 B12R1.267 CN1CCOCC1COCCF a4e1dfcee690dd0b53bcddd58147e9b7 [0,2,0,1,0,0|1,0,0]=4 35286 B12R1.267 CN1CCOCC1COCCS ee5de5ac3ec1d6c0f5b491bd4c44d585 [0,2,0,1,0,0|1,0,0]=4 35287 B12R1.267 CN1CCOC[C@@H]1COCCF bda84c9b1370ab420c8d00aa2959e60b [0,2,0,1,0,0|1,0,0]=4 35288 B12R1.267 CN1CCOC[C@@H]1COCCS 3c292f8d626c441a3f35da9643aabbb9 [0,2,0,1,0,0|1,0,0]=4 35289 B12R1.267 CN1CCOC[C@H]1CNCCF 7267d6a31dcf8e272a9b3834428c70f3 [0,2,0,1,0,0|1,0,0]=4 35290 B12R1.267 CN1CCOC[C@H]1CNCCO d1347495c028c36b5ef147562f64e9cd [0,2,0,1,0,0|1,0,0]=4 35291 B12R1.267 CN1CCOC[C@H]1CNCCS 931ce35e53628c820b8b0fcb6fda9d21 [0,2,0,1,0,0|1,0,0]=4 35292 B12R1.267 CN1CCOC[C@H]1COCCF 8c77c22f4cb788accfb026ee227f70a2 [0,2,0,1,0,0|1,0,0]=4 35293 B12R1.267 CN1CCOC[C@H]1COCCS 69001ac86ff28a2f6746d77cdb2048f8 [0,2,0,1,0,0|1,0,0]=4 35294 B12R1.267 COCCCN1CCCCC1C d6d816ccd19e402b818f02532b017c29 [0,2,0,1,0,0|1,0,0]=4 35295 B12R1.267 COCCCN1CCCC[C@@H]1C be1abddd73cb05d0f6115617f103fd61 [0,2,0,1,0,0|1,0,0]=4 35296 B12R1.267 COCCCN1CCCC[C@H]1C 5032c231297f525099b42a56d5773d30 [0,2,0,1,0,0|1,0,0]=4 35297 B12R1.267 COCCCN1CCOCC1C 84d29cb9e07c9bde0662b607562e580d [0,2,0,1,0,0|1,0,0]=4 35298 B12R1.267 COCCCN1CCOC[C@@H]1C c6081f3ad70e41f55d815bc2f1d04fa8 [0,2,0,1,0,0|1,0,0]=4 35299 B12R1.267 COCCCN1CCOC[C@H]1C 1d60f405bc26a1a623da49f3907bc781 [0,2,0,1,0,0|1,0,0]=4 35300 B12R1.267 COCCNC1CCCCC1C 9084fe99b54051b057c11b6195910703 [0,2,0,1,0,0|1,0,0]=4 35301 B12R1.267 COCCN[C@@H]1CCCC[C@@H]1C b53ed531eca95fe4b6e8813a3e75674e [0,2,0,1,0,0|1,0,0]=4 35302 B12R1.267 COCCN[C@@H]1CCCC[C@H]1C b996a486a4c3f67e820867adf65883bc [0,2,0,1,0,0|1,0,0]=4 35303 B12R1.267 COCCN[C@@H]1COCC[C@@H]1O edc2899037d6ead84673fe594a6343a9 [0,2,0,1,0,0|1,0,0]=4 35304 B12R1.267 COCCN[C@@H]1COCC[C@H]1O b94172e82cf7917ee8259167d3454242 [0,2,0,1,0,0|1,0,0]=4 35305 B12R1.267 COCCN[C@H]1CCCC[C@@H]1C 6e297cc39a5bdd9c9968bac1e776a938 [0,2,0,1,0,0|1,0,0]=4 35306 B12R1.267 COCCN[C@H]1CCCC[C@H]1C dbe52a23a9ca9134db784543d2b2724b [0,2,0,1,0,0|1,0,0]=4 35307 B12R1.267 COCCN[C@H]1COCC[C@@H]1O 5543398bf12fcf47caaee6f83318eb16 [0,2,0,1,0,0|1,0,0]=4 35308 B12R1.267 COCCN[C@H]1COCC[C@H]1O ba92776a1208db83ed67e7e564120d80 [0,2,0,1,0,0|1,0,0]=4 35309 B12R1.267 COCCOC1CCCCC1=O 525f79de9164cb5684d8087376d1b615 [0,2,0,1,0,0|1,0,0]=4 35310 B12R1.267 COCCOC1CCCCC1C dc24da1ad41a1f69884d4a0feffcbbed [0,2,0,1,0,0|1,0,0]=4 35311 B12R1.267 COCCOC1CCCCC1F 80bb476f733b1ab1eeccf8750c33b121 [0,2,0,1,0,0|1,0,0]=4 35312 B12R1.267 COCCOC1CCOCC1C b9a2ff9332a52797a4f14116e49f1f16 [0,2,0,1,0,0|1,0,0]=4 35313 B12R1.267 COCCOC1CCOCC1F 28d38f2b0af1b4cdfb2f91245ec8e354 [0,2,0,1,0,0|1,0,0]=4 35314 B12R1.267 COCCO[C@@H]1CCCC[C@@H]1C a521867d741afe6a6c1b5dcc74aca3db [0,2,0,1,0,0|1,0,0]=4 35315 B12R1.267 COCCO[C@@H]1CCCC[C@H]1F 180364ec9e03b9683e037b71b070b677 [0,2,0,1,0,0|1,0,0]=4 35316 B12R1.267 COCCO[C@@H]1CCOC[C@@H]1F 2193bab3f43e4924da67819c05e35152 [0,2,0,1,0,0|1,0,0]=4 35317 B12R1.267 COCCO[C@H]1CCCC[C@@H]1C fb762545bbeb0cf4a751ec7a0ccaf8ae [0,2,0,1,0,0|1,0,0]=4 35318 B12R1.267 COCCO[C@H]1CCCC[C@H]1C b81f574d06dd8fd5c9f3ac891f555e83 [0,2,0,1,0,0|1,0,0]=4 35319 B12R1.267 COCCO[C@H]1CCOC[C@@H]1F 7d86f919e626a688e4fd2661e56441c4 [0,2,0,1,0,0|1,0,0]=4 35320 B12R1.267 COCCO[C@H]1CCOC[C@H]1F b8a8848a5203ba949d79790fff1ff973 [0,2,0,1,0,0|1,0,0]=4 35321 B12R1.267 COCNCC1CCCCC1C 2d39afed5bcc48f8333a4529e83ea515 [0,2,0,1,0,0|1,0,0]=4 35322 B12R1.267 COCNCC1COCCN1C c818eb30cc288fef58a715078e833b4b [0,2,0,1,0,0|1,0,0]=4 35323 B12R1.267 COCNC[C@@H]1COCCN1C 8166ef24937655ce34a95bee6bbbaaec [0,2,0,1,0,0|1,0,0]=4 35324 B12R1.267 COCOCC1COCCN1C 8be6df78eb55d5ec645f432b0e92952e [0,2,0,1,0,0|1,0,0]=4 35325 B12R1.267 COCOC[C@@H]1COCCN1C b8a0e3d8b6960280339965b9dc03fbbb [0,2,0,1,0,0|1,0,0]=4 35326 B12R1.267 COCOC[C@H]1COCCN1C b859cee0ab101845c818c231c9e8f455 [0,2,0,1,0,0|1,0,0]=4 35327 B12R1.267 CSCCCN1CCCCC1C f093f961dae5ae126c0709d06f5cf175 [0,2,0,1,0,0|1,0,0]=4 35328 B12R1.267 CSCCCN1CCCC[C@@H]1C 4fb882c25a3ffe3b719141fb890d6a3f [0,2,0,1,0,0|1,0,0]=4 35329 B12R1.267 CSCCCN1CCCC[C@H]1C 1b2286e525d298feed4c32e28de546ee [0,2,0,1,0,0|1,0,0]=4 35330 B12R1.267 CSCCCN1CCOCC1C 81f10c7be7b9a729266df383af13181b [0,2,0,1,0,0|1,0,0]=4 35331 B12R1.267 CSCCCN1CCOC[C@@H]1C a0e3e1b7fd58c7bb575068bca716741f [0,2,0,1,0,0|1,0,0]=4 35332 B12R1.267 CSCCCN1CCOC[C@H]1C 921f21c25c0a3439ed0c785351283a6f [0,2,0,1,0,0|1,0,0]=4 35333 B12R1.267 CSCCNC1CCCCC1C 0141d1946660cdbb44f9545d5e3e24d4 [0,2,0,1,0,0|1,0,0]=4 35334 B12R1.267 CSCCN[C@@H]1CCCC[C@@H]1C e39895a9ea09c15f9184e873650ec0e1 [0,2,0,1,0,0|1,0,0]=4 35335 B12R1.267 CSCCN[C@@H]1CCCC[C@H]1C 7c0a68f53d9f7dc4a69bb80031fd7b4a [0,2,0,1,0,0|1,0,0]=4 35336 B12R1.267 CSCCN[C@@H]1COCC[C@@H]1O 163c0fc3321ee7ade063932a3c745705 [0,2,0,1,0,0|1,0,0]=4 35337 B12R1.267 CSCCN[C@@H]1COCC[C@H]1O c7f6e9fcc143097fd99bacbcbfc382cc [0,2,0,1,0,0|1,0,0]=4 35338 B12R1.267 CSCCN[C@H]1CCCC[C@@H]1C f734262a9ff40b506d0f9a8283573a50 [0,2,0,1,0,0|1,0,0]=4 35339 B12R1.267 CSCCN[C@H]1CCCC[C@H]1C df3b3df573b871c9874e0756f2ccb22f [0,2,0,1,0,0|1,0,0]=4 35340 B12R1.267 CSCCN[C@H]1COCC[C@@H]1O 7afda70953fa94d8bc58ce2e108c1d35 [0,2,0,1,0,0|1,0,0]=4 35341 B12R1.267 CSCCN[C@H]1COCC[C@H]1O c1e1fb196a9570dba73de2f6824d3798 [0,2,0,1,0,0|1,0,0]=4 35342 B12R1.267 CSCCOC1CCCCC1=O 2d4ed50d45119dc03baadb1f40162720 [0,2,0,1,0,0|1,0,0]=4 35343 B12R1.267 CSCCOC1CCCCC1C 44215407f2dbc3642b4b0385b6322081 [0,2,0,1,0,0|1,0,0]=4 35344 B12R1.267 CSCCOC1CCCCC1F d82d7b98de00f241eeaa82fb5b635752 [0,2,0,1,0,0|1,0,0]=4 35345 B12R1.267 CSCCOC1CCOCC1C 7660d8a54fdf103a276226bcf8d4d400 [0,2,0,1,0,0|1,0,0]=4 35346 B12R1.267 CSCCOC1CCOCC1F c33482dd2c55ce48abde5e87ab876200 [0,2,0,1,0,0|1,0,0]=4 35347 B12R1.267 CSCCO[C@@H]1CCCC[C@@H]1C 76110c25737b08a4ee6f1e7e6981efef [0,2,0,1,0,0|1,0,0]=4 35348 B12R1.267 CSCCO[C@@H]1CCCC[C@H]1F c6bc45b02ef94b372320f358af387fe4 [0,2,0,1,0,0|1,0,0]=4 35349 B12R1.267 CSCCO[C@@H]1CCOC[C@@H]1F 1bcca0eb06ffcf39e7ce773c5b0e8f31 [0,2,0,1,0,0|1,0,0]=4 35350 B12R1.267 CSCCO[C@H]1CCCC[C@@H]1C 6fa3961f26ecdfbe06a9854a25e77bb0 [0,2,0,1,0,0|1,0,0]=4 35351 B12R1.267 CSCCO[C@H]1CCCC[C@H]1C 95ce77227552447c6c0bc46ead3c858e [0,2,0,1,0,0|1,0,0]=4 35352 B12R1.267 CSCCO[C@H]1CCOC[C@@H]1F f8e0a32849419d0669c46142005c0c3c [0,2,0,1,0,0|1,0,0]=4 35353 B12R1.267 CSCCO[C@H]1CCOC[C@H]1F 6c392b81ce9914b1514a67a219db2025 [0,2,0,1,0,0|1,0,0]=4 35354 B12R1.267 CSCNCC1CCCCC1C f5304ae58e868acfa4b5df8bc68352a1 [0,2,0,1,0,0|1,0,0]=4 35355 B12R1.267 CSCNCC1COCCN1C 76894aa86c956dfa15c35b0247330d02 [0,2,0,1,0,0|1,0,0]=4 35356 B12R1.267 CSCNC[C@@H]1COCCN1C 4d498ee6dc0ab1cfaee3f865cdb328f5 [0,2,0,1,0,0|1,0,0]=4 35357 B12R1.267 CSCOCC1COCCN1C 2d9f4caad676501919eaa461da6ff1cb [0,2,0,1,0,0|1,0,0]=4 35358 B12R1.267 CSCOC[C@@H]1COCCN1C 3562591234c52b34720a01622ab8e32c [0,2,0,1,0,0|1,0,0]=4 35359 B12R1.267 CSCOC[C@H]1COCCN1C 351a4fe48b3158c8e317e66ce7a097ce [0,2,0,1,0,0|1,0,0]=4 35360 B12R1.267 C[C@@H]1CCCCN1CCCCF 869e15e8b411c217eecbc9a87e33449b [0,2,0,1,0,0|1,0,0]=4 35361 B12R1.267 C[C@@H]1CCCCN1CCCCO ad5ed12fc2f30c9da18292609353c491 [0,2,0,1,0,0|1,0,0]=4 35362 B12R1.267 C[C@@H]1CCCC[C@@H]1NCCCCl a40fc9f7bc55cbe72e6bacd9b565363f [0,2,0,1,0,0|1,0,0]=4 35363 B12R1.267 C[C@@H]1CCCC[C@@H]1NCCCF c0fc37825393fc97c6b81a2b38556d8f [0,2,0,1,0,0|1,0,0]=4 35364 B12R1.267 C[C@@H]1CCCC[C@@H]1NCCCO b99a7a990735ef53a3098996bcc77117 [0,2,0,1,0,0|1,0,0]=4 35365 B12R1.267 C[C@@H]1CCCC[C@@H]1NCCCS 6496d9999d4a0615292bc30a5c3303bc [0,2,0,1,0,0|1,0,0]=4 35366 B12R1.267 C[C@@H]1CCCC[C@@H]1OCCCF 9c135f73fb159b978ac84863f8663a12 [0,2,0,1,0,0|1,0,0]=4 35367 B12R1.267 C[C@@H]1CCCC[C@@H]1OCCCS 4105f692a61be19fa1dda90b74539b23 [0,2,0,1,0,0|1,0,0]=4 35368 B12R1.267 C[C@@H]1CCCC[C@H]1NCCCF 795570ca99d9d6aabbe1969a486a53d5 [0,2,0,1,0,0|1,0,0]=4 35369 B12R1.267 C[C@@H]1CCCC[C@H]1NCCCO 053eb3ae1b91a83d1fd1cc70f0c949a9 [0,2,0,1,0,0|1,0,0]=4 35370 B12R1.267 C[C@@H]1CCCC[C@H]1NCCCS 888f79745fd3f0ff52393d8ccc952f15 [0,2,0,1,0,0|1,0,0]=4 35371 B12R1.267 C[C@@H]1COCCN1CCCCF 402853e5c26dcfaa371989ff7c0f7899 [0,2,0,1,0,0|1,0,0]=4 35372 B12R1.267 C[C@@H]1COCCN1CCCCO 2e69e198cacbc5a11c7cfa80cb59c2d5 [0,2,0,1,0,0|1,0,0]=4 35373 B12R1.267 C[C@H]1CCCCN1CCCCF 9cb113aff6302426f83b2cb8fc85e60b [0,2,0,1,0,0|1,0,0]=4 35374 B12R1.267 C[C@H]1CCCCN1CCCCO df0e8c24add0fba09b06b565de72faae [0,2,0,1,0,0|1,0,0]=4 35375 B12R1.267 C[C@H]1CCCC[C@@H]1NCCCF 829a20b0fcaa7edffc0dc8b52eedc1d9 [0,2,0,1,0,0|1,0,0]=4 35376 B12R1.267 C[C@H]1CCCC[C@@H]1NCCCO 0be3d75894971ac80b104462997f7970 [0,2,0,1,0,0|1,0,0]=4 35377 B12R1.267 C[C@H]1CCCC[C@@H]1NCCCS 0a586bd8bba2d02b158146dcb1970bb6 [0,2,0,1,0,0|1,0,0]=4 35378 B12R1.267 C[C@H]1CCCC[C@@H]1OCCCF 79e0e57b29362ed3347ea2e1b1101280 [0,2,0,1,0,0|1,0,0]=4 35379 B12R1.267 C[C@H]1CCCC[C@@H]1OCCCS 168927a58d66876f2b2651b398487a32 [0,2,0,1,0,0|1,0,0]=4 35380 B12R1.267 C[C@H]1CCCC[C@H]1NCCCF 7ceaef1cf87c050efa7fc707efc39b39 [0,2,0,1,0,0|1,0,0]=4 35381 B12R1.267 C[C@H]1CCCC[C@H]1NCCCO 4454c0ed397f96d3bd3ad0ede4bb6ef1 [0,2,0,1,0,0|1,0,0]=4 35382 B12R1.267 C[C@H]1CCCC[C@H]1NCCCS 17df8f87b36b1638dda777615c6e0950 [0,2,0,1,0,0|1,0,0]=4 35383 B12R1.267 C[C@H]1CCCC[C@H]1OCCCF 9c08cdf1e7adb4a498cfa47e967237a6 [0,2,0,1,0,0|1,0,0]=4 35384 B12R1.267 C[C@H]1CCCC[C@H]1OCCCS 1bd14dc2cebc05babbee03bfa8eb8c09 [0,2,0,1,0,0|1,0,0]=4 35385 B12R1.267 C[C@H]1COCCN1CCCCF 105b821b708c943f3a7ffb9637c6da09 [0,2,0,1,0,0|1,0,0]=4 35386 B12R1.267 C[C@H]1COCCN1CCCCO 8e9f244bd33e8d53cbe36b9acfcda296 [0,2,0,1,0,0|1,0,0]=4 35387 B12R1.267 FC1CCCCC1OCCCS ee65d2cb57cc51d5710d42cc6ab9891a [0,2,0,1,0,0|1,0,0]=4 35388 B12R1.267 FC1COCCC1OCCCS f0d3f73955da2d3aa8f1e26c1a050ab1 [0,2,0,1,0,0|1,0,0]=4 35389 B12R1.267 FCCCOC1CCCCC1F b2681ae7067533936a76b2d229ea63fa [0,2,0,1,0,0|1,0,0]=4 35390 B12R1.267 FCCCOC1CCOCC1F 566a228703ceda656fe851c13ddf2472 [0,2,0,1,0,0|1,0,0]=4 35391 B12R1.267 FCCCO[C@@H]1CCCC[C@H]1F 0a91cc8c5a3d918c6e39edf74e7b1639 [0,2,0,1,0,0|1,0,0]=4 35392 B12R1.267 FCCCO[C@@H]1CCOC[C@@H]1F 78c6a81ff8ad1efad59a7386cd7db157 [0,2,0,1,0,0|1,0,0]=4 35393 B12R1.267 FCCCO[C@H]1CCOC[C@@H]1F 6b6323cfabd9ca967c404bac11084424 [0,2,0,1,0,0|1,0,0]=4 35394 B12R1.267 FCCCO[C@H]1CCOC[C@H]1F f968936d8b80584ef961872ae57c2c8f [0,2,0,1,0,0|1,0,0]=4 35395 B12R1.267 F[C@@H]1CCCC[C@H]1OCCCS d27118dc0a928e45e80800ee984eb31b [0,2,0,1,0,0|1,0,0]=4 35396 B12R1.267 F[C@@H]1COCC[C@@H]1OCCCS 86060530576f82419837dabfda25e489 [0,2,0,1,0,0|1,0,0]=4 35397 B12R1.267 F[C@H]1COCC[C@@H]1OCCCS 57d238646f24937c270e1360f198fa8b [0,2,0,1,0,0|1,0,0]=4 35398 B12R1.267 F[C@H]1COCC[C@H]1OCCCS af5c75d223b7eb0e4ed40db66312f3c6 [0,2,0,1,0,0|1,0,0]=4 35399 B12R1.267 O=C1CCCCC1OCCCF 5685b156b3d52fa940b753668721f4ab [0,2,0,1,0,0|1,0,0]=4 35400 B12R1.267 O=C1CCCCC1OCCCS d9ec412c3ff779af27190d49fd8f64ba [0,2,0,1,0,0|1,0,0]=4 35401 B12R1.267 OCCCN[C@@H]1COCC[C@@H]1O 01761d2c054e43505f313b8732d61d3b [0,2,0,1,0,0|1,0,0]=4 35402 B12R1.267 OCCCN[C@@H]1COCC[C@H]1O 388e5bb4de5ed2c3685f674ea2c18168 [0,2,0,1,0,0|1,0,0]=4 35403 B12R1.267 OCCCN[C@H]1COCC[C@@H]1O 4ffd8f0d9e56a358e5119cb8668f0edb [0,2,0,1,0,0|1,0,0]=4 35404 B12R1.267 OCCCN[C@H]1COCC[C@H]1O 54be18bc4b6e12fb1592334f9da4c7bb [0,2,0,1,0,0|1,0,0]=4 35405 B12R1.267 O[C@@H]1CCOC[C@@H]1NCCCF b4a3f2ea5dc6b2abbf670d8371dbe82f [0,2,0,1,0,0|1,0,0]=4 35406 B12R1.267 O[C@@H]1CCOC[C@@H]1NCCCS dc6574f2512e954fe4442c07776c418e [0,2,0,1,0,0|1,0,0]=4 35407 B12R1.267 O[C@@H]1CCOC[C@H]1NCCCF 17e3105cad14625965957d339d0e3122 [0,2,0,1,0,0|1,0,0]=4 35408 B12R1.267 O[C@@H]1CCOC[C@H]1NCCCS e61e26c2b244eab7f0af9e27979708b7 [0,2,0,1,0,0|1,0,0]=4 35409 B12R1.267 O[C@H]1CCOC[C@@H]1NCCCF 3212c639a700553b372f36958d3e050e [0,2,0,1,0,0|1,0,0]=4 35410 B12R1.267 O[C@H]1CCOC[C@@H]1NCCCS 4b69d75465de0edc8dbb0fb0c3a9c9fd [0,2,0,1,0,0|1,0,0]=4 35411 B12R1.267 O[C@H]1CCOC[C@H]1NCCCF ebacbed32e4d8f9b309f19bedfa322ad [0,2,0,1,0,0|1,0,0]=4 35412 B12R1.267 O[C@H]1CCOC[C@H]1NCCCS 9174caa119158ab468ad1d2d076963da [0,2,0,1,0,0|1,0,0]=4 35413 B12R1.329 CCCCN1CCCCCCC1 c99bb13f3e8ae53a84ba3bc8df4c63fe [0,2,0,1,0,0|1,0,0]=4 35414 B12R1.329 CCCNC1/C=C\CCCCC1 839c3ca6c611c61d5b150adfba6c4d45 [0,2,0,1,0,0|1,0,0]=4 35415 B12R1.329 CCCNC1CCCCCCC1 7f9125ee31f5a03093a77d52d7357740 [0,2,0,1,0,0|1,0,0]=4 35416 B12R1.329 CCCOC1/C=C/CCCCC1 5a184e09a41e6cca14e64c2bbf13ef66 [0,2,0,1,0,0|1,0,0]=4 35417 B12R1.329 CCCOC1/C=C\CCCCC1 db9e9cf2a223625d884d7b358a0cded4 [0,2,0,1,0,0|1,0,0]=4 35418 B12R1.329 CCCOC1C=CCCCCC1 01492e28a3496f03bb3d3627ba51e6a4 [0,2,0,1,0,0|1,0,0]=4 35419 B12R1.329 CCCOC1CCCCCCC1 4a765fc44e8d60716ce20532dd38b6d4 [0,2,0,1,0,0|1,0,0]=4 35420 B12R1.329 CCCO[C@H]1/C=C/CCCCC1 f38de21c07b9ceeb7f2196b43d00aa23 [0,2,0,1,0,0|1,0,0]=4 35421 B12R1.329 CCCO[C@H]1/C=C\CCCCC1 45c44869e7071bc4813dcc90d2865d6b [0,2,0,1,0,0|1,0,0]=4 35422 B12R1.329 CCOCC1CCCCCCC1 175d02310bf38ba881acd37e6e5716ed [0,2,0,1,0,0|1,0,0]=4 35423 B12R1.329 CCOCN1CCCCCCC1 8926ee2215a1c29f98f0494313c53089 [0,2,0,1,0,0|1,0,0]=4 35424 B12R1.329 COCCN1CCCCCCC1 795ef70340d9c7456f695f2870db7a61 [0,2,0,1,0,0|1,0,0]=4 35425 B12R1.329 COCNC1CCCCCCC1 550873d0271ecb0a2b834422dfa42087 [0,2,0,1,0,0|1,0,0]=4 35426 B12R1.329 COCOC1CCCCCCC1 7a839632841e4c82f60a78c0ee42cddd [0,2,0,1,0,0|1,0,0]=4 35427 B12R1.329 CSCCN1CCCCCCC1 fd7bc49eb68592074d420ce8946f8477 [0,2,0,1,0,0|1,0,0]=4 35428 B12R1.329 CSCNC1CCCCCCC1 8b16c71cd57be5bb12471f928f5c4942 [0,2,0,1,0,0|1,0,0]=4 35429 B12R1.329 CSCOC1CCCCCCC1 2bab5647ce6faecbf1f323b0fc6c76ce [0,2,0,1,0,0|1,0,0]=4 35430 B12R1.329 FCCCN1CCCCCCC1 e43e9c45cdb556782a4aadf45994d3cf [0,2,0,1,0,0|1,0,0]=4 35431 B12R1.329 FCCNC1CCCCCCC1 7c77f48fe696ad36c9c336b27a48e546 [0,2,0,1,0,0|1,0,0]=4 35432 B12R1.329 FCCOC1CCCCCCC1 36405899d3b175be721990a9029f7ba8 [0,2,0,1,0,0|1,0,0]=4 35433 B12R1.329 FCOCC1CCCCCCC1 7bd7e2d7aa4f49e6343715f5f8962f9e [0,2,0,1,0,0|1,0,0]=4 35434 B12R1.329 OCCCN1CCCCCCC1 0fed1b9c1316811eb60120ceff02d24a [0,2,0,1,0,0|1,0,0]=4 35435 B12R1.329 OCCNC1CCCCCCC1 bde6ee13264ac55fce9dd8c74e28c91a [0,2,0,1,0,0|1,0,0]=4 35436 B12R1.329 SCCCN1CCCCCCC1 98e5476742eabf16b2e4c8ce29961462 [0,2,0,1,0,0|1,0,0]=4 35437 B12R1.329 SCCNC1CCCCCCC1 6a4fab8503344544099fbc13f74c9ab4 [0,2,0,1,0,0|1,0,0]=4 35438 B12R1.329 SCCOC1CCCCCCC1 58fe7c24b38e5fb3f0e8aa59520bf79b [0,2,0,1,0,0|1,0,0]=4 35439 B12R1.333 CCCCN1CC(C1)CCOC 9e2df0ab746a6b2b8eecfc58c78cb311 [0,2,0,1,0,0|1,0,0]=4 35440 B12R1.333 CCCCN1CC(C1)OCCC 50c3bf96d364f73423efd4b78be8b84c [0,2,0,1,0,0|1,0,0]=4 35441 B12R1.374 CCCCN1CC(CCC1C)O dda0e314d7efc252eb02b1be73ee4bcf [0,2,0,1,0,0|1,0,0]=4 35442 B12R1.374 CCCCN1CC(OCC1C)C af4f0787d2402c4d5377d09e729a106d [0,2,0,1,0,0|1,0,0]=4 35443 B12R1.374 CCCCN1C[C@@H](CC[C@H]1C)O bf64eb1146a64ce181a6e38167dc5111 [0,2,0,1,0,0|1,0,0]=4 35444 B12R1.374 CCCCN1C[C@@H](OC[C@@H]1C)C 0c414d1e2530f5ca2eecb6372e12368a [0,2,0,1,0,0|1,0,0]=4 35445 B12R1.374 CCCCN1C[C@@H](OC[C@H]1C)C de3993033f78d0e16f03b760ed4279d8 [0,2,0,1,0,0|1,0,0]=4 35446 B12R1.374 CCCCN1C[C@H](OC[C@@H]1C)C 0906bb99c7ff74395f9719c44c2e70b8 [0,2,0,1,0,0|1,0,0]=4 35447 B12R1.374 CCCCN1C[C@H](OC[C@H]1C)C 16f663ef4e0b4fa6a4eaada1abb8dab0 [0,2,0,1,0,0|1,0,0]=4 35448 B12R1.374 CCCOC1CC(CCC1C)C 0d606390509f95f77ec44b312b5c77c2 [0,2,0,1,0,0|1,0,0]=4 35449 B12R1.376 CCCCN1CC(CC1CO)O 9dfa6eddcdab0b3f8e91715662241c91 [0,2,0,1,0,0|1,0,0]=4 35450 B12R1.382 C#CC1CCCN(C1)CCCC 35ee07428c19b462a2c35caa779d4374 [0,2,0,1,0,0|1,0,0]=4 35451 B12R1.382 CCCCN1CCCC(C1)C#N 3afe8a254f1a4305a864d05b258c1c8f [0,2,0,1,0,0|1,0,0]=4 35452 B12R1.382 CCCCN1CCCC(C1)CC 51dc34ed04e380eb680b9183e6c4232c [0,2,0,1,0,0|1,0,0]=4 35453 B12R1.382 CCCCN1CCCC(C1)CO 87d66b8e61be08448caa6c86c11d540f [0,2,0,1,0,0|1,0,0]=4 35454 B12R1.382 CCCCN1CCCC(C1)OC b9d697b018eb36822da9c6450dcde6af [0,2,0,1,0,0|1,0,0]=4 35455 B12R1.382 CCCCN1CCC[C@@H](C1)CO ba0f238b56f21d5add29329f7dbdd712 [0,2,0,1,0,0|1,0,0]=4 35456 B12R1.382 CCCCN1CCC[C@@H](C1)OC f384f26875f75a91b1b0052ef4781056 [0,2,0,1,0,0|1,0,0]=4 35457 B12R1.382 CCCCN1CCC[C@H](C1)C#N e2627c70b8c50d538172206c4da28816 [0,2,0,1,0,0|1,0,0]=4 35458 B12R1.382 CCCCN1CCC[C@H](C1)CO 464aafdd4ff85385e0cea4e3d76d27e0 [0,2,0,1,0,0|1,0,0]=4 35459 B12R1.382 CCCCN1CCC[C@H](C1)OC 19be4df2eae9b7d0b8752b097f7812ea [0,2,0,1,0,0|1,0,0]=4 35460 B12R1.382 CCCCN1CCOC(C1)CC ac05275a24235b4800b112b0af8127f6 [0,2,0,1,0,0|1,0,0]=4 35461 B12R1.382 CCCCN1CCO[C@@H](C1)CC 7c092c5f6bfeacce79aa005032596d5d [0,2,0,1,0,0|1,0,0]=4 35462 B12R1.382 CCCCN1CCO[C@H](C1)CC d3e86928ffd21e4b7b4a06b35433b942 [0,2,0,1,0,0|1,0,0]=4 35463 B12R1.382 CCCN[C@@H]1COC[C@@H](C1)OC 4b5f90779d812f5c1b0b2f235de65c29 [0,2,0,1,0,0|1,0,0]=4 35464 B12R1.382 CCCN[C@H]1COC[C@H](C1)OC 6f7ec1df8eecf3ddac6bc6bfd08cc69f [0,2,0,1,0,0|1,0,0]=4 35465 B12R1.382 CCCOC1CCCC(C1)CC ff199cbd2cd5ef08928493137e7635d7 [0,2,0,1,0,0|1,0,0]=4 35466 B12R1.382 CCN1CCOC(C1)CCOC 3b2b30524fed0fe1b9b814e1a0555b1e [0,2,0,1,0,0|1,0,0]=4 35467 B12R1.382 CCOCC1CN(CCO1)CC 94c9e846f5249b2e071094cb601044e3 [0,2,0,1,0,0|1,0,0]=4 35468 B12R1.382 CCOC[C@@H]1CN(CCO1)CC b9a8eeef9289e2e019566d60e0001cb1 [0,2,0,1,0,0|1,0,0]=4 35469 B12R1.382 CCOC[C@H]1CN(CCO1)CC 57bb575a7b58a906c781aae3be0a9f7c [0,2,0,1,0,0|1,0,0]=4 35470 B12R1.461 CCC1CCN1C(C)CCCO 40df8e868ab0aa3db6f1e1d05b703c05 [0,2,0,1,0,0|1,0,0]=4 35471 B12R1.461 CCCCC(=O)N1CCC1CC e4dad2be972f5b43fc5990bed70296fa [0,2,0,1,0,0|1,0,0]=4 35472 B12R1.461 CCCCC(C)N1CCC1CC 95f07a6d69d97548f6387c5e6437357e [0,2,0,1,0,0|1,0,0]=4 35473 B12R1.461 CCCCC(C)N1CCC1CO 6ece0b3cf07422d9cb44dd2a80c6f02d [0,2,0,1,0,0|1,0,0]=4 35474 B12R1.461 CCCCC(C)N1CC[C@@H]1CO dee5873ba9936b45c1e98bbb526645d1 [0,2,0,1,0,0|1,0,0]=4 35475 B12R1.461 CCCCC(C)N1CC[C@H]1CO 1348cc489929d4666c2726545421a3b8 [0,2,0,1,0,0|1,0,0]=4 35476 B12R1.463 C=CCCC(C)OCC1CCC1 7ee235599c6bf33807110b284bdf8fa9 [0,2,0,1,0,0|0,0,1]=4 35477 B12R1.463 C=CCC[C@@H](C)OCC1CCC1 544d625ba28714e7ee6dfcb9143cab9e [0,2,0,1,0,0|0,0,1]=4 35478 B12R1.463 CC(CCC#N)OCC1CCC1 2ba1e444b095539170b9889d7e1b9f10 [0,2,0,1,0,0|0,0,1]=4 35479 B12R1.463 CC(CCCO)NCC1CCC1 b769ddbc456a53a85cbf2f0c2cb844f6 [0,2,0,1,0,0|1,0,0]=4 35480 B12R1.463 CCC#CC(C)OCC1CCC1 8c74e6924a646ebe872bd5030b4ea4a4 [0,2,0,1,0,0|0,0,1]=4 35481 B12R1.463 CCCCC(=O)NCC1CCC1 837d5edf6ff5895d223cac23d3f6a0b1 [0,2,0,1,0,0|1,0,0]=4 35482 B12R1.463 CCCCC(=O)OCN1CCC1 7cd2f5991bec06bfe0baf55a37c781bb [0,2,0,1,0,0|0,0,1]=4 35483 B12R1.463 CCCCC(C)COC1CCC1 6d23f0727bdf3d31647397b80b300313 [0,2,0,1,0,0|0,0,0]=3 35484 B12R1.463 CCCCC(C)COC1COC1 881938a4a05bd2292364682fc9441d39 [0,2,0,1,0,0|1,0,0]=4 35485 B12R1.463 CCCCC(C)NCC1CCC1 7256e05a72c33ef0add057710a86e7f7 [0,2,0,1,0,0|1,0,0]=4 35486 B12R1.463 CCCCC(C)NCC1CCO1 a7ebfe2084f280c90a8bb25adca77c78 [0,2,0,1,0,0|1,0,0]=4 35487 B12R1.463 CCCCC(C)NCC1COC1 bc2912913ab9390b3218de311443065d [0,2,0,1,0,0|1,0,0]=4 35488 B12R1.463 CCCCC(C)NC[C@@H]1CCO1 c98b64fd12f19be47e0e5c020359d134 [0,2,0,1,0,0|1,0,0]=4 35489 B12R1.463 CCCCC(C)NC[C@H]1CCO1 e59085deb7c35aa03e22d8c77155ba56 [0,2,0,1,0,0|1,0,0]=4 35490 B12R1.463 CCCCC(C)OCC1CCC1 4550064ff9be72e1bd37596eb8629d82 [0,2,0,1,0,0|0,0,0]=3 35491 B12R1.463 CCCCC(C)OCC1CCO1 8a84d2b36f579e7d30c07c1e17918acf [0,2,0,1,0,0|0,0,0]=3 35492 B12R1.463 CCCCC(C)OCC1COC1 076ea0f1ae1fc4967fc8a5f54cfea226 [0,2,0,1,0,0|0,0,0]=3 35493 B12R1.463 CCCCC(C)OCC1CSC1 5b0fe8b37f6a1162091cf0226a65a7cf [0,2,0,1,0,0|0,0,0]=3 35494 B12R1.463 CCCCC(C)OC[C@@H]1CCO1 d8c349b423de623ab684fbf0d33aae79 [0,2,0,1,0,0|0,0,0]=3 35495 B12R1.463 CCCCC(C)OC[C@H]1CCO1 6f1a2b14fb43093e946c58faef1704bd [0,2,0,1,0,0|0,0,0]=3 35496 B12R1.463 CCCCC(O)CNC1CCC1 ef03b9b9cc44acd892bbb55777458382 [0,2,0,1,0,0|1,0,0]=4 35497 B12R1.463 CCCCN(C)CCC1CCC1 c378251a50feb92ccbe55a628b5757d6 [0,2,0,1,0,0|1,0,0]=4 35498 B12R1.463 CCCCN(C)CCC1CCO1 372ad12c6266d5ab4dded2351e66321f [0,2,0,1,0,0|1,0,0]=4 35499 B12R1.463 CCCCN(C)CCC1COC1 933ee329487d4d99edf1a409b90e4bc8 [0,2,0,1,0,0|1,0,0]=4 35500 B12R1.463 CCCC[C@@H](C)NCC1CCC1 652251730bad614bd525a2d75a52dfe1 [0,2,0,1,0,0|1,0,0]=4 35501 B12R1.463 CCCC[C@@H](C)NCC1CCO1 967966f7d3d2dff1963f3fa8ede2d264 [0,2,0,1,0,0|1,0,0]=4 35502 B12R1.463 CCCC[C@@H](C)NCC1COC1 4e2ab8f5437b4124886a018eb851c8ee [0,2,0,1,0,0|1,0,0]=4 35503 B12R1.463 CCCC[C@@H](C)NC[C@@H]1CCO1 119cc4961079248b0ec601e3109a0cd1 [0,2,0,1,0,0|1,0,0]=4 35504 B12R1.463 CCCC[C@@H](C)NC[C@H]1CCO1 4ccb428dbccf4d2cb41cd491e237ed2a [0,2,0,1,0,0|1,0,0]=4 35505 B12R1.463 CCCC[C@@H](C)OCC1CCC1 6e76aa8b0a91d9b11c40680ec3f05357 [0,2,0,1,0,0|0,0,0]=3 35506 B12R1.463 CCCC[C@@H](C)OCC1CCO1 c7e64a2ef5776edf826ddf8a114ddb70 [0,2,0,1,0,0|0,0,0]=3 35507 B12R1.463 CCCC[C@@H](C)OCC1COC1 403caf03dabec82f486849deb9962d55 [0,2,0,1,0,0|0,0,0]=3 35508 B12R1.463 CCCC[C@@H](C)OC[C@@H]1CCO1 1dc647bd1ac82db93e524ca27105ae9c [0,2,0,1,0,0|0,0,0]=3 35509 B12R1.463 CCCC[C@@H](C)OC[C@H]1CCO1 1ac8aa95cbaf2a79ef4bd747c7826c9e [0,2,0,1,0,0|0,0,0]=3 35510 B12R1.463 CCCC[C@H](C)OCC1CCC1 2ae1d9977f67478f125a380deffd2096 [0,2,0,1,0,0|0,0,0]=3 35511 B12R1.463 CCCC[C@H](C)OCC1CCO1 561f449a31e7d39d629e6d381929e0c5 [0,2,0,1,0,0|0,0,0]=3 35512 B12R1.463 CCCC[C@H](C)OCC1COC1 81e55202407b1f58c398c2fa2a04a1fb [0,2,0,1,0,0|0,0,0]=3 35513 B12R1.463 CCCC[C@H](C)OC[C@@H]1CCO1 e22289a243a469fd89cb87e731b50e79 [0,2,0,1,0,0|0,0,0]=3 35514 B12R1.463 CCCC[C@H](C)OC[C@H]1CCO1 1d78bba4b3e359acc21310f1c7540aa5 [0,2,0,1,0,0|0,0,0]=3 35515 B12R1.463 CCCNC(=O)COC1CCC1 7484a12ddf79c1a84d267f114383f169 [0,2,0,1,0,0|0,0,1]=4 35516 B12R1.463 CCCOC(=O)COC1CCC1 9f45e0d46d80b29f8c56a8aa427424a0 [0,2,0,1,0,0|0,0,1]=4 35517 B12R1.463 CCOCC(C)COC1CCC1 15a46a2ec4813659d1f0088c1b355c6b [0,2,0,1,0,0|0,0,0]=3 35518 B12R1.463 CCOCC(C)OCC1CCC1 63971bf8ae4a1762e0a74d05a1edec88 [0,2,0,1,0,0|0,0,0]=3 35519 B12R1.463 CCOCC(C)OCC1CCO1 0ac9a154e0aeb3ae34537a553a62d76b [0,2,0,1,0,0|1,0,0]=4 35520 B12R1.463 CCOCC(C)OCC1COC1 2b8c6f1b33a0bbeeb3a675d008d173ab [0,2,0,1,0,0|1,0,0]=4 35521 B12R1.463 CCOCC(C)OC[C@@H]1CCO1 51fd4c6f1c11515dd27cb80c673e9bed [0,2,0,1,0,0|1,0,0]=4 35522 B12R1.463 CCOCC(C)OC[C@H]1CCO1 c96dd019f33d071e35b37099069ca1a4 [0,2,0,1,0,0|1,0,0]=4 35523 B12R1.463 CCOCC(O)CNC1CCC1 dda5f15bb18a4fb941df61bba90c5c7a [0,2,0,1,0,0|1,0,0]=4 35524 B12R1.463 COCCC(C)OCC1CCC1 d509c30b56097ad682ae81eac757f8ba [0,2,0,1,0,0|0,0,0]=3 35525 B12R1.463 COCCC(C)OCC1CCO1 8aea075ee7a40761ab67a0da7386c00b [0,2,0,1,0,0|1,0,0]=4 35526 B12R1.463 COCCC(C)OCC1COC1 a171c35ee619590b4e2e54102d3b6e42 [0,2,0,1,0,0|1,0,0]=4 35527 B12R1.463 COCCC(C)OC[C@@H]1CCO1 6a590b02fe4e333d508f47bb0e74f5d3 [0,2,0,1,0,0|1,0,0]=4 35528 B12R1.463 COCCC(C)OC[C@H]1CCO1 149144e41f5f02823cc0206f2bc189f3 [0,2,0,1,0,0|1,0,0]=4 35529 B12R1.463 COCO[C@H](C)COC1CCC1 9fa7b6507c9260829fc827d9f5c06fcc [0,2,0,1,0,0|1,0,0]=4 35530 B12R1.463 CSCCC(=O)COC1CCC1 910cdcdaf422702fb6552f2dae2449ce [0,2,0,1,0,0|0,0,1]=4 35531 B12R1.463 CSCCC(C)OCC1CCC1 b22abddb3ebf2cb9bfe5f27ae22062c0 [0,2,0,1,0,0|0,0,0]=3 35532 B12R1.463 CSCCC(C)OCC1CCO1 451d303a17f0ee1a1cff7e39852bd1e9 [0,2,0,1,0,0|1,0,0]=4 35533 B12R1.463 CSCCC(C)OCC1COC1 f879f751550889470e989f036430b468 [0,2,0,1,0,0|1,0,0]=4 35534 B12R1.463 CSCCC(C)OC[C@@H]1CCO1 519b331f705d3fc00360d1c47043ebad [0,2,0,1,0,0|1,0,0]=4 35535 B12R1.463 CSCCC(C)OC[C@H]1CCO1 eb0ecf1dbf24e31f4c5d9faebf74b450 [0,2,0,1,0,0|1,0,0]=4 35536 B12R1.463 C[C@H](CCCO)CNC1CCC1 e076f033fefa2bf761f8d30ea765ae3a [0,2,0,1,0,0|1,0,0]=4 35537 B12R1.463 C[C@H](CCCO)NCC1CCC1 eb4f9d969505f72e413f89f0dd854b32 [0,2,0,1,0,0|1,0,0]=4 35538 B12R1.464 C=CCCC(C)OCCC1CC1 1b1c511854ff733bcb0af9a0c16f3564 [0,2,0,1,0,0|0,0,1]=4 35539 B12R1.464 C=CCC[C@@H](C)OCCC1CC1 b1adc53588a21f45aabef2622cff5462 [0,2,0,1,0,0|0,0,1]=4 35540 B12R1.464 CC(CCC#N)OCCC1CC1 292e72ca7091bcd949512f334336462b [0,2,0,1,0,0|0,0,1]=4 35541 B12R1.464 CC(CCCO)NCCC1CC1 c76d700249a00d489e9e40b8859fce6f [0,2,0,1,0,0|1,0,0]=4 35542 B12R1.464 CCC#CC(C)OCCC1CC1 a6a0f8dc84f57005ba5fcfb002c9a33a [0,2,0,1,0,0|0,0,1]=4 35543 B12R1.464 CCCCC(=O)NCCC1CC1 ad968fdec4d052e5613d4ba300f20332 [0,2,0,1,0,0|1,0,0]=4 35544 B12R1.464 CCCCC(=O)OCNC1CC1 32936cde5d52dbf687757e2724987d2d [0,2,0,1,0,0|0,0,1]=4 35545 B12R1.464 CCCCC(=O)OCOC1CC1 62f57097065184062c6371adddfab550 [0,2,0,1,0,0|0,0,1]=4 35546 B12R1.464 CCCCC(C)CCOC1CC1 7284e5204961d6448ab2d929ee277cf5 [0,2,0,1,0,0|1,0,0]=4 35547 B12R1.464 CCCCC(C)COCC1CC1 412187977297adcabddef80d2601451a [0,2,0,1,0,0|0,0,0]=3 35548 B12R1.464 CCCCC(C)NCCC1CC1 9331fce6e2db4262a3984b63a4c73915 [0,2,0,1,0,0|1,0,0]=4 35549 B12R1.464 CCCCC(C)NCCN1CC1 955c3bd1afdb865e0b52dbe80bab4a52 [0,2,0,1,0,0|1,0,0]=4 35550 B12R1.464 CCCCC(C)OCCC1CC1 8390dbee1e747e1390a6336d7ce7d58c [0,2,0,1,0,0|0,0,0]=3 35551 B12R1.464 CCCCC(C)OCCN1CC1 0e0e2749a263f1ae8121117f67a8c640 [0,2,0,1,0,0|0,0,0]=3 35552 B12R1.464 CCCCC(O)CNCC1CC1 58f5a734a82b1cb19330c8459a466018 [0,2,0,1,0,0|1,0,0]=4 35553 B12R1.464 CCCCN(C)CCNC1CC1 6f8c274488c9e916d8866292135770d3 [0,2,0,1,0,0|1,0,0]=4 35554 B12R1.464 CCCCN(C)CCOC1CC1 604a7ef3783659cc8fd50415290986f6 [0,2,0,1,0,0|1,0,0]=4 35555 B12R1.464 CCCC[C@@H](C)NCCC1CC1 58cb41b31af69244e8d740871e90a732 [0,2,0,1,0,0|1,0,0]=4 35556 B12R1.464 CCCC[C@@H](C)OCCC1CC1 167b40672e09b0cca7ffa217f13f3522 [0,2,0,1,0,0|0,0,0]=3 35557 B12R1.464 CCCC[C@H](C)OCCC1CC1 5031e862154f1d61e3ea1dfe3087a0e6 [0,2,0,1,0,0|0,0,0]=3 35558 B12R1.464 CCCNC(=O)COCC1CC1 84047463bb0568e00124dd25005eb738 [0,2,0,1,0,0|0,0,1]=4 35559 B12R1.464 CCCOC(=O)COCC1CC1 79caba3dd96d33bd35e1d71408bcbc2b [0,2,0,1,0,0|0,0,1]=4 35560 B12R1.464 CCOCC(C)COCC1CC1 05b25645cdba743b3fd71e79d927d6e5 [0,2,0,1,0,0|0,0,0]=3 35561 B12R1.464 CCOCC(C)OCCC1CC1 b7a47359f76e5255430fedb2e6203911 [0,2,0,1,0,0|0,0,0]=3 35562 B12R1.464 CCOCC(O)CNCC1CC1 3ea12bacdcc66588a5e9de20e0b337d9 [0,2,0,1,0,0|1,0,0]=4 35563 B12R1.464 COCCC(C)OCCC1CC1 80eba9ddd4a29161df601a1c8b222302 [0,2,0,1,0,0|0,0,0]=3 35564 B12R1.464 COCO[C@H](C)COCC1CC1 502b619e7908699f1815c61eb42f08a4 [0,2,0,1,0,0|1,0,0]=4 35565 B12R1.464 CSCCC(=O)COCC1CC1 b74faea54a6dbaa35706b79b62fc35b0 [0,2,0,1,0,0|0,0,1]=4 35566 B12R1.464 CSCCC(C)OCCC1CC1 674c1ca2774aec62817c1a8e4d9638df [0,2,0,1,0,0|0,0,0]=3 35567 B12R1.464 C[C@H](CCCO)CNCC1CC1 cc3a45db69fe866d21660781d331cca3 [0,2,0,1,0,0|1,0,0]=4 35568 B12R1.464 C[C@H](CCCO)NCCC1CC1 eca077aa6a450bc4933221f90a75a2b0 [0,2,0,1,0,0|1,0,0]=4 35569 B12R1.549 C=C1CC1COC(C)CCCC f55d7f4ded587106104067fc42ebba52 [0,2,0,1,0,0|0,0,1]=4 35570 B12R1.549 C=CCCC(C)OCC1CC1C 687a90b972ecd0105110a88d06c0b87f [0,2,0,1,0,0|0,0,1]=4 35571 B12R1.549 C=CCCC(C)OC[C@@H]1C[C@@H]1C baebca9d1229d38110f78330868e4555 [0,2,0,1,0,0|0,0,1]=4 35572 B12R1.549 C=CCCC(C)OC[C@@H]1C[C@H]1C e013b2dbce5510281e41a42d62a817ec [0,2,0,1,0,0|0,0,1]=4 35573 B12R1.549 C=CCCC(C)OC[C@H]1C[C@@H]1C d5b75f2ec508ee50fc4120963d56fb22 [0,2,0,1,0,0|0,0,1]=4 35574 B12R1.549 CC(CCC#N)OCC1CC1C 182fc6a57e95d97ba0f71684441b8140 [0,2,0,1,0,0|0,0,1]=4 35575 B12R1.549 CC(CCC#N)OC[C@@H]1C[C@@H]1C 98955ad347befe1a567b2633ac84b13e [0,2,0,1,0,0|0,0,1]=4 35576 B12R1.549 CC(CCC#N)OC[C@@H]1C[C@H]1C 8ce0338ee7d170e4bfb389a32f73cbe7 [0,2,0,1,0,0|0,0,1]=4 35577 B12R1.549 CC(CCC#N)OC[C@H]1C[C@@H]1C 4ddad179a402573ade99cdc60211d42b [0,2,0,1,0,0|0,0,1]=4 35578 B12R1.549 CCCCC(C)OCC1CC1C a0e1b538f556ba8c611a2524c5b18adf [0,2,0,1,0,0|0,0,0]=3 35579 B12R1.549 CCCCC(C)OC[C@@H]1C[C@@H]1C 792df62751f8c9891f9e6aad6d7b5658 [0,2,0,1,0,0|0,0,0]=3 35580 B12R1.549 CCCCC(C)OC[C@@H]1C[C@@H]1F 4c7fb4b00ea00166d439e619b0c0b1d6 [0,2,0,1,0,0|0,0,0]=3 35581 B12R1.549 CCCCC(C)OC[C@@H]1C[C@H]1C 76680b461502eedc7e46294aed1865fc [0,2,0,1,0,0|0,0,0]=3 35582 B12R1.549 CCCCC(C)OC[C@@H]1C[C@H]1F 7eb45933a3db62b711295fc1e86198d0 [0,2,0,1,0,0|0,0,0]=3 35583 B12R1.549 CCCCC(C)OC[C@H]1C[C@@H]1C d0ea1cd804c8932f1c0d2193bb70be25 [0,2,0,1,0,0|0,0,0]=3 35584 B12R1.549 CCCCC(C)OC[C@H]1C[C@@H]1F 001479295b22b8060ce1943a311937af [0,2,0,1,0,0|0,0,0]=3 35585 B12R1.549 CCCCC(C)OC[C@H]1C[C@H]1F 873c53db3d10c15a652c63c46b2a9714 [0,2,0,1,0,0|0,0,0]=3 35586 B12R1.561 C#CCCCOC(C)C1CCC1 d3ab2f5054cb77883929948c2125b062 [0,2,0,1,0,0|0,0,1]=4 35587 B12R1.561 C#CCCCO[C@@H](C)C1CCC1 5ddd4b360dbb3438310635a9abbe4d7c [0,2,0,1,0,0|0,0,1]=4 35588 B12R1.561 C=CCCCOC(C)C1CCC1 f5c81154e90868d1d41503be4c5ea854 [0,2,0,1,0,0|0,0,1]=4 35589 B12R1.561 C=CCCCO[C@@H](C)C1CCC1 2b2a5c13939302ec5b74cf614b76e54b [0,2,0,1,0,0|0,0,1]=4 35590 B12R1.561 CC(COCCCF)C1CCO1 fb3d6c4ec3f19cbe1384f2eb82030e7d [0,2,0,1,0,0|1,0,0]=4 35591 B12R1.561 CC(COCCCF)C1COC1 72b0bb8c65a735c067131f40cc8dbe87 [0,2,0,1,0,0|1,0,0]=4 35592 B12R1.561 CC(COCCCF)N1CCC1 db4991803550d7d10f617a4fdf545745 [0,2,0,1,0,0|1,0,0]=4 35593 B12R1.561 CC(COCCCS)C1CCO1 e3ed2365e1b606e234e1b55fb7fb08aa [0,2,0,1,0,0|1,0,0]=4 35594 B12R1.561 CC(COCCCS)C1COC1 35af57d03790c0c2cac37f4361ea3528 [0,2,0,1,0,0|1,0,0]=4 35595 B12R1.561 CC(COCCCS)N1CCC1 f91e6906a3a97c6a9e44728a9f67c9b5 [0,2,0,1,0,0|1,0,0]=4 35596 B12R1.561 CC(OCCCC#N)C1CCC1 2e03a91d1975debc732bc87db0d85b0c [0,2,0,1,0,0|0,0,1]=4 35597 B12R1.561 CC(OCCCC=O)C1CCC1 e5dd094461d3b78e99d4b65c5becf64b [0,2,0,1,0,0|0,0,1]=4 35598 B12R1.561 CC(OCCCCF)C1CCC1 fe9b4e0e2db3cf8122cb46b366ce1627 [0,2,0,1,0,0|0,0,0]=3 35599 B12R1.561 CC(OCCCCF)C1COC1 1d738d3d2962c7df4b9da7029a52447b [0,2,0,1,0,0|1,0,0]=4 35600 B12R1.561 CC/C=C/COC(C)C1CCC1 55d038e16b8945323fd99b7abe95aa16 [0,2,0,1,0,0|0,0,1]=4 35601 B12R1.561 CC/C=C/CO[C@@H](C)C1CCC1 cdc5f0b189975516df1c17a0ebfe9d4e [0,2,0,1,0,0|0,0,1]=4 35602 B12R1.561 CCC#CCOC(C)C1CCC1 b96a7da2aa950740f93fe2e2af26ac75 [0,2,0,1,0,0|0,0,1]=4 35603 B12R1.561 CCC#CCO[C@@H](C)C1CCC1 6f84e4e1b0a83d44fe63b0d07813cd1e [0,2,0,1,0,0|0,0,1]=4 35604 B12R1.561 CCCCCCC(C)N1CCC1 1d184a98d17104194176a55585bfaef5 [0,2,0,1,0,0|1,0,0]=4 35605 B12R1.561 CCCCCCN(C)C1CCC1 9f68f65bbfcaae03c2db8fd3c62c34ba [0,2,0,1,0,0|1,0,0]=4 35606 B12R1.561 CCCCCNC(C)C1COC1 a96c1f9b761d1a532b591fbe9e12b482 [0,2,0,1,0,0|1,0,0]=4 35607 B12R1.561 CCCCCN[C@@H](C)C1COC1 f066b203c55c9fe1d88cd32a1714380a [0,2,0,1,0,0|1,0,0]=4 35608 B12R1.561 CCCCCN[C@H](C)C1COC1 58f2860402253d6ab50b7cfa752caba0 [0,2,0,1,0,0|1,0,0]=4 35609 B12R1.561 CCCCCOC(C)C1CCC1 1e984641539b9b6b372e7a73c1675857 [0,2,0,1,0,0|0,0,0]=3 35610 B12R1.561 CCCCCOC(C)C1COC1 0c897a703139569ff2142221b52f6bcf [0,2,0,1,0,0|0,0,0]=3 35611 B12R1.561 CCCCCO[C@@H](C)C1CCC1 118c540181514ef268d07e355253c93c [0,2,0,1,0,0|0,0,0]=3 35612 B12R1.561 CCCCCO[C@@H](C)C1COC1 da43f2bf3b548f9b72d9f2667db2667a [0,2,0,1,0,0|0,0,0]=3 35613 B12R1.561 CCCCCO[C@H](C)C1COC1 10a9ad60af45e7160f225c9008037f12 [0,2,0,1,0,0|0,0,0]=3 35614 B12R1.561 CCCCNCC(=O)C1CCC1 8986fd857f415a2d4341ff94ab394153 [0,2,0,1,0,0|1,0,0]=4 35615 B12R1.561 CCCCOCC(=O)C1CCC1 483d1c3f1e1ce125691fede0e66ef43e [0,2,0,1,0,0|0,0,0]=3 35616 B12R1.561 CCCCOCC(=O)N1CCC1 8f1e01f50039219590e37963e10c495d [0,2,0,1,0,0|0,0,1]=4 35617 B12R1.561 CCCCOCC(C)C1CCO1 dbf225d5c8b73062a1a4440cec6d7312 [0,2,0,1,0,0|0,0,0]=3 35618 B12R1.561 CCCCOCC(C)C1COC1 395a91cae20ee396a97bc9bc83f637d8 [0,2,0,1,0,0|0,0,0]=3 35619 B12R1.561 CCCCOCC(C)N1CCC1 7cae2edb3f6fd8790728c79ebc575d24 [0,2,0,1,0,0|0,0,0]=3 35620 B12R1.561 CCCCOCN(C)C1CCC1 a16f3a7c7b018e5cea6589e9d6f24f22 [0,2,0,1,0,0|0,0,0]=3 35621 B12R1.561 CCCCOCN(C)C1COC1 7c8cb0db485e1d8b84ba46d78ed43d64 [0,2,0,1,0,0|1,0,0]=4 35622 B12R1.561 CCCCOC[C@H](C)N1CCC1 45698e96fe72a22b4740f441ea23b0b9 [0,2,0,1,0,0|0,0,0]=3 35623 B12R1.561 CCCOCCN(C)C1CCC1 cf8b8332f4fc879686cc08a4206363e0 [0,2,0,1,0,0|1,0,0]=4 35624 B12R1.561 CCOCCCN(C)C1CCC1 c12ce4139bd5b249ea274e187da92df8 [0,2,0,1,0,0|1,0,0]=4 35625 B12R1.561 CCOCCOC(C)C1CCC1 fbb6df99387f0604ebdfaf3c26df965e [0,2,0,1,0,0|0,0,0]=3 35626 B12R1.561 CCOCCOC(C)C1COC1 b119c7f10603ae2c9268fe2770434695 [0,2,0,1,0,0|1,0,0]=4 35627 B12R1.561 CCOCCO[C@@H](C)C1CCC1 8a0bb66a113272b18824d050c9d1e4b8 [0,2,0,1,0,0|0,0,0]=3 35628 B12R1.561 CCOCCO[C@@H](C)C1COC1 acce2476dae7985a515d57033c5b1b72 [0,2,0,1,0,0|1,0,0]=4 35629 B12R1.561 CCOCCO[C@H](C)C1COC1 2ed8a708ca18751e006cab4daaff6566 [0,2,0,1,0,0|1,0,0]=4 35630 B12R1.561 CCOCOCC(C)C1CCO1 bfab0dd107676103ac01f180dc013ce9 [0,2,0,1,0,0|1,0,0]=4 35631 B12R1.561 CCOCOCC(C)N1CCC1 db7b8ce80cc84cb8a989e07f762c3479 [0,2,0,1,0,0|1,0,0]=4 35632 B12R1.561 CCOCOC[C@H](C)N1CCC1 d559723cad54e36e1cd03a41cb312ab1 [0,2,0,1,0,0|1,0,0]=4 35633 B12R1.561 CCSCCCN(C)C1CCC1 92acafe2b5411f954b1b2541f0e133f4 [0,2,0,1,0,0|1,0,0]=4 35634 B12R1.561 CCSCCOC(C)C1CCC1 034a4255fb617934c19e01b17012e9d8 [0,2,0,1,0,0|0,0,0]=3 35635 B12R1.561 CCSCCOC(C)C1COC1 3485b97d3cb4d86ae489bbd62517cddc [0,2,0,1,0,0|1,0,0]=4 35636 B12R1.561 CCSCCO[C@@H](C)C1CCC1 7106524cb28ac24730f5a34944183a82 [0,2,0,1,0,0|0,0,0]=3 35637 B12R1.561 CCSCCO[C@@H](C)C1COC1 f0cc23b5257223d63c29ccdd01f0a8a6 [0,2,0,1,0,0|1,0,0]=4 35638 B12R1.561 CCSCCO[C@H](C)C1COC1 0c6ed9537e0538535cb2739c0763eb4e [0,2,0,1,0,0|1,0,0]=4 35639 B12R1.561 CN(CCCCCF)C1CCC1 815ce54238de67fed0638be7c67639a8 [0,2,0,1,0,0|1,0,0]=4 35640 B12R1.561 CN(CCCCCO)C1CCC1 3153f58de6b5f0bc4a717b1bba06e17b [0,2,0,1,0,0|1,0,0]=4 35641 B12R1.561 COCCCCN(C)C1CCC1 268da7f6ccd7e4a1ed20fe1981c19eeb [0,2,0,1,0,0|1,0,0]=4 35642 B12R1.561 COCCCOC(C)C1CCC1 0a16c3907bac39b6d7d7fa97cc50b2dc [0,2,0,1,0,0|0,0,0]=3 35643 B12R1.561 COCCCOC(C)C1COC1 333d50acc7f72d69ea7d406729d0e6db [0,2,0,1,0,0|1,0,0]=4 35644 B12R1.561 COCCCO[C@@H](C)C1CCC1 34bf31098e29ee9b5f16ba099b3eedab [0,2,0,1,0,0|0,0,0]=3 35645 B12R1.561 COCCCO[C@@H](C)C1COC1 0b520252708ed5a9cba1382e971185c9 [0,2,0,1,0,0|1,0,0]=4 35646 B12R1.561 COCCCO[C@H](C)C1COC1 ac460e3e218b0c1139e7bcb60ae20756 [0,2,0,1,0,0|1,0,0]=4 35647 B12R1.561 COCCOCC(=O)C1CCC1 11abc02eb1ec8e43d90a89560e3aa948 [0,2,0,1,0,0|1,0,0]=4 35648 B12R1.561 COCCOCC(C)C1CCO1 ec6cc56a1221db44bd19cf1be7718652 [0,2,0,1,0,0|1,0,0]=4 35649 B12R1.561 COCCOCC(C)C1COC1 61d1e3658fafc11f7eec3d306507b4b2 [0,2,0,1,0,0|1,0,0]=4 35650 B12R1.561 COCCOCC(C)N1CCC1 c41760dedffb20d98318460437b6bdd8 [0,2,0,1,0,0|1,0,0]=4 35651 B12R1.561 COCCOCN(C)C1CCC1 0fb77ea87aa194e71db9556003d95d91 [0,2,0,1,0,0|1,0,0]=4 35652 B12R1.561 COCCOC[C@H](C)N1CCC1 a8823aa5de718236dfaf7c772e885838 [0,2,0,1,0,0|1,0,0]=4 35653 B12R1.561 CSCCCOC(C)C1CCC1 6a7cf7de8f7682591c2f9f1d55bf028e [0,2,0,1,0,0|0,0,0]=3 35654 B12R1.561 CSCCCOC(C)C1COC1 edfd0ba028c74279a17a388f3734609b [0,2,0,1,0,0|1,0,0]=4 35655 B12R1.561 CSCCCO[C@@H](C)C1CCC1 bb1ad8127433b8c8eeca8780504fbcd7 [0,2,0,1,0,0|0,0,0]=3 35656 B12R1.561 CSCCCO[C@@H](C)C1COC1 a3f5db839d765a524305482b9eeb0435 [0,2,0,1,0,0|1,0,0]=4 35657 B12R1.561 CSCCCO[C@H](C)C1COC1 73d1cfa983405e56cd97e6c479bc1b2b [0,2,0,1,0,0|1,0,0]=4 35658 B12R1.561 CSCCOCC(=O)C1CCC1 b629c550d03f41a389ee5aa41dd6d727 [0,2,0,1,0,0|1,0,0]=4 35659 B12R1.561 CSCCOCC(C)C1CCO1 81751006935f7f8ebc255295f83c1c31 [0,2,0,1,0,0|1,0,0]=4 35660 B12R1.561 CSCCOCC(C)C1COC1 691645717c05cf9d3819f2036176e7bb [0,2,0,1,0,0|1,0,0]=4 35661 B12R1.561 CSCCOCC(C)N1CCC1 6b3cbcbe858fc532bdae266ecdbe21bc [0,2,0,1,0,0|1,0,0]=4 35662 B12R1.561 CSCCOC[C@H](C)N1CCC1 c05ee9561c51207bd09d859b09ed0586 [0,2,0,1,0,0|1,0,0]=4 35663 B12R1.561 C[C@@H](COCCCF)N1CCC1 bcf9c24fbd69dd751c1a9bd12b5b62d3 [0,2,0,1,0,0|1,0,0]=4 35664 B12R1.561 C[C@@H](COCCCS)N1CCC1 a1f25ad452f7ad36c37bb30f50ae29cb [0,2,0,1,0,0|1,0,0]=4 35665 B12R1.561 C[C@@H](OCCCCF)C1COC1 94fff7c27754cd74f18c6899e26a94f4 [0,2,0,1,0,0|1,0,0]=4 35666 B12R1.561 C[C@H](OCCCC#N)C1CCC1 b545372e6eb3e931a11b0155df863dd1 [0,2,0,1,0,0|0,0,1]=4 35667 B12R1.561 C[C@H](OCCCC=O)C1CCC1 52c748ead6634dd1b5eba5f25cf25170 [0,2,0,1,0,0|0,0,1]=4 35668 B12R1.561 C[C@H](OCCCCF)C1CCC1 bc3d319d01e809e66420e4defcea3d48 [0,2,0,1,0,0|0,0,0]=3 35669 B12R1.561 C[C@H](OCCCCF)C1COC1 e0f18690524d1fa6ad2caccc5743eecb [0,2,0,1,0,0|1,0,0]=4 35670 B12R1.561 O=C(COCCCF)C1CCC1 77d998d2f817b7a34fbefe203c69cc94 [0,2,0,1,0,0|1,0,0]=4 35671 B12R1.561 O=C(COCCCS)C1CCC1 2a88a211a612e043c034769b815cd133 [0,2,0,1,0,0|1,0,0]=4 35672 B12R1.567 CC1CCC(N1CCCCF)C b6cff3081ffbd673e3437e6b6143b223 [0,2,0,1,0,0|1,0,0]=4 35673 B12R1.567 CC1CCC(N1CCCCO)C 65faf19d75c7448629e4fc424c7eb21b [0,2,0,1,0,0|1,0,0]=4 35674 B12R1.567 CCCCCN1C(CCC1C)C be315301e55181f43c402b6138665a48 [0,2,0,1,0,0|1,0,0]=4 35675 B12R1.567 CCCCCN1[C@@H](CC[C@@H]1C)C 73a3edfea34e67b77f8e687686d8a454 [0,2,0,1,0,0|1,0,0]=4 35676 B12R1.567 CCCCCN1[C@@H](CC[C@H]1C)C 21fed27083e4c5a46afce8af9741241e [0,2,0,1,0,0|1,0,0]=4 35677 B12R1.567 CCCCCN1[C@H](CC[C@@H]1C)C 9340304283ab61090c985c0af5a74560 [0,2,0,1,0,0|1,0,0]=4 35678 B12R1.567 CCOCCN1C(CCC1C)C c3e3af69151290b3b042eae85f41c29d [0,2,0,1,0,0|1,0,0]=4 35679 B12R1.567 CCOCCN1[C@@H](CC[C@@H]1C)C 505b305b5d408e0676584537cfa994cc [0,2,0,1,0,0|1,0,0]=4 35680 B12R1.567 CCOCCN1[C@@H](CC[C@H]1C)C ed5727acc8651a429ffca3bb336f091a [0,2,0,1,0,0|1,0,0]=4 35681 B12R1.567 CCOCCN1[C@H](CC[C@@H]1C)C 34a934e12ffdd3d9e1bece556004fe84 [0,2,0,1,0,0|1,0,0]=4 35682 B12R1.567 CCSCCN1C(CCC1C)C 786be0077edccbc338d90b7ba3a1a799 [0,2,0,1,0,0|1,0,0]=4 35683 B12R1.567 CCSCCN1[C@@H](CC[C@@H]1C)C 2158d27b461aa4fa86beeba06cac99f2 [0,2,0,1,0,0|1,0,0]=4 35684 B12R1.567 CCSCCN1[C@@H](CC[C@H]1C)C 63fad1b9032b5e7abf946a21936bbf9e [0,2,0,1,0,0|1,0,0]=4 35685 B12R1.567 CCSCCN1[C@H](CC[C@@H]1C)C 4d84a2e782a79ad4f57afe2332185a2a [0,2,0,1,0,0|1,0,0]=4 35686 B12R1.567 COCCCN1C(CCC1C)C e677bf8e4eca4c02927aa09e57cc53d2 [0,2,0,1,0,0|1,0,0]=4 35687 B12R1.567 COCCCN1[C@@H](CC[C@@H]1C)C 39388722aeecacac8298f1b34fefc9f3 [0,2,0,1,0,0|1,0,0]=4 35688 B12R1.567 COCCCN1[C@@H](CC[C@H]1C)C 28f1a98a4febdccb38a75de0d139807f [0,2,0,1,0,0|1,0,0]=4 35689 B12R1.567 COCCCN1[C@H](CC[C@@H]1C)C 0c7f0fb1c6bcf857189d8f5276a76d21 [0,2,0,1,0,0|1,0,0]=4 35690 B12R1.567 CSCCCN1C(CCC1C)C a747e5fb100148b0deebcea68fd644cd [0,2,0,1,0,0|1,0,0]=4 35691 B12R1.567 CSCCCN1[C@@H](CC[C@@H]1C)C fafed3591e38cd65a3544f60cc43d74a [0,2,0,1,0,0|1,0,0]=4 35692 B12R1.567 CSCCCN1[C@@H](CC[C@H]1C)C 482eb8f551286565eebeb1896eabe37d [0,2,0,1,0,0|1,0,0]=4 35693 B12R1.567 CSCCCN1[C@H](CC[C@@H]1C)C 7ea6554260ec41d6348874bf9a3589df [0,2,0,1,0,0|1,0,0]=4 35694 B12R1.567 C[C@@H]1CC[C@@H](N1CCCCF)C 665cd91ba2e496680b00ba5dc6906c16 [0,2,0,1,0,0|1,0,0]=4 35695 B12R1.567 C[C@@H]1CC[C@@H](N1CCCCO)C 90ba7d343faed7143af67b0597824f8c [0,2,0,1,0,0|1,0,0]=4 35696 B12R1.567 C[C@@H]1CC[C@H](N1CCCCF)C 3c9c8c34c72d41583c42c369f14a176a [0,2,0,1,0,0|1,0,0]=4 35697 B12R1.567 C[C@@H]1CC[C@H](N1CCCCO)C 5d7a1e4a9e113cfb5cc4e088eed51c5f [0,2,0,1,0,0|1,0,0]=4 35698 B12R1.567 C[C@H]1CC[C@@H](N1CCCCF)C 344b4e93d7cff70d8e790d7b75232c7a [0,2,0,1,0,0|1,0,0]=4 35699 B12R1.567 C[C@H]1CC[C@@H](N1CCCCO)C 40188c37a9a502947ca0855a24a819b9 [0,2,0,1,0,0|1,0,0]=4 35700 B12R1.925 CC(CCCO)N[C@@H]1CC[C@H]1C ab292f26e80edb4586991ccc5ebb6290 [0,2,0,1,0,0|1,0,0]=4 35701 B12R1.925 CC(CCCO)N[C@H]1CC[C@H]1C 63aa5244d20a0bce8913a36ffa583b8d [0,2,0,1,0,0|1,0,0]=4 35702 B12R1.925 CCCCC(=O)N[C@@H]1CC[C@H]1C 9265218896b27d4a1d2eb6a938d8aef1 [0,2,0,1,0,0|1,0,0]=4 35703 B12R1.925 CCCCC(=O)N[C@H]1CC[C@H]1C 02dfba1d0b3b135d627a156f11593eb2 [0,2,0,1,0,0|1,0,0]=4 35704 B12R1.925 CCCCC(C)NC1CCC1F 9da21b5bb1d45e3fc8328dc3c3157727 [0,2,0,1,0,0|1,0,0]=4 35705 B12R1.925 CCCCC(C)NC1CCC1O f25c6cf431067179d671340f355a09b8 [0,2,0,1,0,0|1,0,0]=4 35706 B12R1.925 CCCCC(C)NC1COC1C 7679a8e6f06b6c5298897c67084091f0 [0,2,0,1,0,0|1,0,0]=4 35707 B12R1.925 CCCCC(C)N[C@@H]1CC[C@@H]1O 3d3182ad8c4186e52e5d3eb5a2412bcc [0,2,0,1,0,0|1,0,0]=4 35708 B12R1.925 CCCCC(C)N[C@@H]1CC[C@H]1C 241e2049e24f30acf024116ada1a0b9d [0,2,0,1,0,0|1,0,0]=4 35709 B12R1.925 CCCCC(C)N[C@@H]1CC[C@H]1O 94f62f0a7795d427702245166d25a894 [0,2,0,1,0,0|1,0,0]=4 35710 B12R1.925 CCCCC(C)N[C@H]1CC[C@@H]1O bcf118d58022c79e6e48f64c2b2d3e14 [0,2,0,1,0,0|1,0,0]=4 35711 B12R1.925 CCCCC(C)N[C@H]1CC[C@H]1C 3fb3c30a55554ddaacc3d50d32fdb1ef [0,2,0,1,0,0|1,0,0]=4 35712 B12R1.925 CCCCC(C)N[C@H]1CC[C@H]1O 9945946f0c1b71efc9ce080a80309bbc [0,2,0,1,0,0|1,0,0]=4 35713 B12R1.925 CCCCC(C)OC1COC1C 6b6608dc2f4bf0ac125b43ae1f14a147 [0,2,0,1,0,0|0,0,0]=3 35714 B12R1.1758 CC1(CCCC1)COCCCF e31731e1e9f25118669f0417f70031ae [0,2,0,1,0,0|1,0,0]=4 35715 B12R1.1758 CC1(CCCC1)COCCCS 89d0c5764dd2b13daa8442af044115bd [0,2,0,1,0,0|1,0,0]=4 35716 B12R1.1758 CC1(CCCC1)NCCCCF 5a195659c674cb9f9c76ae114b1313e0 [0,2,0,1,0,0|1,0,0]=4 35717 B12R1.1758 CC1(CCCC1)NCCCCO f1857d6f452910a1779afb230ff2d2e0 [0,2,0,1,0,0|1,0,0]=4 35718 B12R1.1758 CC1(CCCO1)COCCCF 68f022946d5700ea0bdaeca0a1ab4ec3 [0,2,0,1,0,0|1,0,0]=4 35719 B12R1.1758 CC1(CCCO1)COCCCS 1553990df949344162ba961d1f32164f [0,2,0,1,0,0|1,0,0]=4 35720 B12R1.1758 CC1(CCOC1)COCCCF d2b65f225b68d480235879dda81c1e4b [0,2,0,1,0,0|1,0,0]=4 35721 B12R1.1758 CC1(CCOC1)COCCCS 0ac8195ba62d17b1bf09c6a45db4ee39 [0,2,0,1,0,0|1,0,0]=4 35722 B12R1.1758 CCCCCNC1(CCCC1)C 609ee3c5046373b699edc17215216620 [0,2,0,1,0,0|1,0,0]=4 35723 B12R1.1758 CCCCCNC1(CCOC1)C aeeff030a5022d1f42368d66d0436a87 [0,2,0,1,0,0|1,0,0]=4 35724 B12R1.1758 CCCCNCC1(CCCC1)C e6503be8577325b4654e2a15576a4ff1 [0,2,0,1,0,0|1,0,0]=4 35725 B12R1.1758 CCCCNCC1(CCCC1)F badd2005aba152f082f4af84fcb25ceb [0,2,0,1,0,0|1,0,0]=4 35726 B12R1.1758 CCCCNCC1(CCCC1)O 215cabe096ff06fcc585411a0ed964a5 [0,2,0,1,0,0|1,0,0]=4 35727 B12R1.1758 CCCCNCC1(CCCO1)C da8654ac598d6340d172c90620bdcc2d [0,2,0,1,0,0|1,0,0]=4 35728 B12R1.1758 CCCCNCC1(CCOC1)C d0db8f3d092f1104bf14ca4dcf62d67d [0,2,0,1,0,0|1,0,0]=4 35729 B12R1.1758 CCCCNCC1(CCOC1)O f8aa7e623aa6b062b9926c183b49442a [0,2,0,1,0,0|1,0,0]=4 35730 B12R1.1758 CCCCOCC1(CCCC1)C 54860abc48aa0040ced9e544d5cabad7 [0,2,0,1,0,0|0,0,0]=3 35731 B12R1.1758 CCCCOCC1(CCCC1)F 1331046b603167b4557411c3313efcd3 [0,2,0,1,0,0|0,0,0]=3 35732 B12R1.1758 CCCCOCC1(CCCO1)C 825c30acca247003b1e70c3479083041 [0,2,0,1,0,0|0,0,0]=3 35733 B12R1.1758 CCCCOCC1(CCOC1)C 4c16124f8497d59f5c17a2ebccb24761 [0,2,0,1,0,0|0,0,0]=3 35734 B12R1.1758 CCCCOCC1(CCOC1)F cd07fea2b4e422786f5e45fb959aeec4 [0,2,0,1,0,0|0,0,0]=3 35735 B12R1.1758 CCCCOC[C@@]1(CCOC1)C 2883b1f284aa6166f165101945d3a8a6 [0,2,0,1,0,0|0,0,0]=3 35736 B12R1.1758 CCCCOC[C@@]1(CCOC1)F a68d2d1690442005c77d7cfe4ee0c0e8 [0,2,0,1,0,0|0,0,0]=3 35737 B12R1.1758 CCCCOC[C@]1(CCOC1)C c50a58ad77b74b72c1351db01b45ffda [0,2,0,1,0,0|0,0,0]=3 35738 B12R1.1758 CCCNCCC1(CCCC1)O 293c5e4a7163303d2dd0bbb4642cbdf4 [0,2,0,1,0,0|1,0,0]=4 35739 B12R1.1758 CCOCCNC1(CCCC1)C 976ae5e72000fbdc26b59a0e8c063add [0,2,0,1,0,0|1,0,0]=4 35740 B12R1.1758 CCOCOCC1(CCCC1)C e4b8a9b51e1189f3d2836e953ab33c41 [0,2,0,1,0,0|1,0,0]=4 35741 B12R1.1758 CCOCOCC1(CCCC1)F 19fe6f198669c6beef070ce5e7e1379a [0,2,0,1,0,0|1,0,0]=4 35742 B12R1.1758 CCOCOCC1(CCCO1)C 0e7ee835a8eba810aadef8b2a83e633d [0,2,0,1,0,0|1,0,0]=4 35743 B12R1.1758 CCOCOCC1(CCOC1)C 36f3f28bef8ea75172cef52442d9fa09 [0,2,0,1,0,0|1,0,0]=4 35744 B12R1.1758 CCOCOCC1(CCOC1)F 49f1136a54c93834edf63cac8ac72c26 [0,2,0,1,0,0|1,0,0]=4 35745 B12R1.1758 CCOCOC[C@@]1(CCOC1)C ac43c9a7e0dcc734fca1bd7e2de121cd [0,2,0,1,0,0|1,0,0]=4 35746 B12R1.1758 CCOCOC[C@@]1(CCOC1)F 6f0cf7d60a9abe149f989d49d0811061 [0,2,0,1,0,0|1,0,0]=4 35747 B12R1.1758 CCOCOC[C@]1(CCOC1)C 6f4234efcae66e7229a0e33c3524dee5 [0,2,0,1,0,0|1,0,0]=4 35748 B12R1.1758 CCSCCNC1(CCCC1)C 331c3f1cff64fcd1d318e7d9e82b7cf9 [0,2,0,1,0,0|1,0,0]=4 35749 B12R1.1758 COCCCNC1(CCCC1)C c0bd69b73ae2ae1aaee8125fd698cea1 [0,2,0,1,0,0|1,0,0]=4 35750 B12R1.1758 COCCOCC1(CCCC1)C 92fe5ece3f18e2d55fe0777dd9e856a2 [0,2,0,1,0,0|1,0,0]=4 35751 B12R1.1758 COCCOCC1(CCCC1)F eeb31a3448a6271b0409ce2c9bb8332a [0,2,0,1,0,0|1,0,0]=4 35752 B12R1.1758 COCCOCC1(CCCO1)C fcbdc809d1b3578e68dfaf3ab147cb6c [0,2,0,1,0,0|1,0,0]=4 35753 B12R1.1758 COCCOCC1(CCOC1)C b37676894393be3980724189be449744 [0,2,0,1,0,0|1,0,0]=4 35754 B12R1.1758 COCCOCC1(CCOC1)F 94a6b71217e7400259a1725ee20c81d3 [0,2,0,1,0,0|1,0,0]=4 35755 B12R1.1758 COCCOC[C@@]1(CCOC1)C d22505dcb9de8367061bd8cb1742dfb2 [0,2,0,1,0,0|1,0,0]=4 35756 B12R1.1758 COCCOC[C@@]1(CCOC1)F 2fdccb09545bfbceaec41f82046edd36 [0,2,0,1,0,0|1,0,0]=4 35757 B12R1.1758 COCCOC[C@]1(CCOC1)C 57af792255157ed2e470425a93a4887a [0,2,0,1,0,0|1,0,0]=4 35758 B12R1.1758 CSCCCNC1(CCCC1)C 8141c8a5d1d49691b98238da15ced2ad [0,2,0,1,0,0|1,0,0]=4 35759 B12R1.1758 CSCCOCC1(CCCC1)C e434791a0dcd7a186de4d17e7b084820 [0,2,0,1,0,0|1,0,0]=4 35760 B12R1.1758 CSCCOCC1(CCCC1)F abb4aea78cc2ed29fd99fc4ecfb13e32 [0,2,0,1,0,0|1,0,0]=4 35761 B12R1.1758 CSCCOCC1(CCCO1)C 76652ad1a15c4a95ceef0d42e0457f31 [0,2,0,1,0,0|1,0,0]=4 35762 B12R1.1758 CSCCOCC1(CCOC1)C 1775337783569f8ca97e54351cc97ba8 [0,2,0,1,0,0|1,0,0]=4 35763 B12R1.1758 CSCCOCC1(CCOC1)F 9bf79e734222c70dd2ad9d71807ea60a [0,2,0,1,0,0|1,0,0]=4 35764 B12R1.1758 CSCCOC[C@@]1(CCOC1)C d90a787efca982a8823df4931f209b5c [0,2,0,1,0,0|1,0,0]=4 35765 B12R1.1758 CSCCOC[C@@]1(CCOC1)F de11ff00430dbcdbf4dba7d8cbb0e19a [0,2,0,1,0,0|1,0,0]=4 35766 B12R1.1758 CSCCOC[C@]1(CCOC1)C 00a9af48253f787c55f117a65e26b86c [0,2,0,1,0,0|1,0,0]=4 35767 B12R1.1758 C[C@@]1(CCOC1)COCCCF a82bcb180fec577aeba81134a29c1ce0 [0,2,0,1,0,0|1,0,0]=4 35768 B12R1.1758 C[C@@]1(CCOC1)COCCCS 860729fdc536aaacfb1c58b6e2986258 [0,2,0,1,0,0|1,0,0]=4 35769 B12R1.1758 C[C@]1(CCOC1)COCCCF 46f25a5024ea0b956242d507f8c856ec [0,2,0,1,0,0|1,0,0]=4 35770 B12R1.1758 C[C@]1(CCOC1)COCCCS 6d9715b025e4c3699d2b6ef096806f78 [0,2,0,1,0,0|1,0,0]=4 35771 B12R1.1758 FC1(CCCC1)COCCCS 2818c09ece33504b3f135bc090cb25a2 [0,2,0,1,0,0|1,0,0]=4 35772 B12R1.1758 FC1(CCOC1)COCCCS 70a6cd2232f6381ea75df318c2305971 [0,2,0,1,0,0|1,0,0]=4 35773 B12R1.1758 FCCCOCC1(CCCC1)F 081cc4e9090f620a3545b3c0eee9e9a4 [0,2,0,1,0,0|1,0,0]=4 35774 B12R1.1758 FCCCOCC1(CCOC1)F ecd5b19cb5f7e4b66798ea51e53a9067 [0,2,0,1,0,0|1,0,0]=4 35775 B12R1.1758 FCCCOC[C@@]1(CCOC1)F 595317075a929deb1ced26f7918c885b [0,2,0,1,0,0|1,0,0]=4 35776 B12R1.1758 F[C@]1(CCOC1)COCCCS 6a1f844f03bfb676ed13b0c6e04e89b2 [0,2,0,1,0,0|1,0,0]=4 35777 B12R1.1761 C#CC1CC(C1)COCCCC caa9fe35a249b475a62a751a945dea6e [0,2,0,1,0,0|0,0,0]=3 35778 B12R1.1761 C#CC1CC(C1)COCCCF b25faea779b624e709098a71841279c5 [0,2,0,1,0,0|1,0,0]=4 35779 B12R1.1761 C#CC1CC(C1)COCCCS ac7bd08593b395749d87d88ff1be55b9 [0,2,0,1,0,0|1,0,0]=4 35780 B12R1.1761 C#CC1CC(C1)COCCOC afea71ea1ea71c4a5a53c985c118ca4c [0,2,0,1,0,0|1,0,0]=4 35781 B12R1.1761 C#CC1CC(C1)COCCSC 9bb7924442299fa0a8d041c1066a8922 [0,2,0,1,0,0|1,0,0]=4 35782 B12R1.1761 C#CC1CC(C1)COCOCC 17de9ca7e73eb0a3459b471b2f52f187 [0,2,0,1,0,0|1,0,0]=4 35783 B12R1.1761 C#C[C@H]1C[C@@H](C1)COCCCC b6cf59ddf6f87d8e59ca093a21db148c [0,2,0,1,0,0|0,0,0]=3 35784 B12R1.1761 C#C[C@H]1C[C@@H](C1)COCCCF 13a86a5e9b548aa7a265f6f8eccb76bf [0,2,0,1,0,0|1,0,0]=4 35785 B12R1.1761 C#C[C@H]1C[C@@H](C1)COCCCS c7f8b7563a194a23e4e960e684ca2a6c [0,2,0,1,0,0|1,0,0]=4 35786 B12R1.1761 C#C[C@H]1C[C@@H](C1)COCCOC ab1212fa8a7fbc78cf379f9f5b1004ee [0,2,0,1,0,0|1,0,0]=4 35787 B12R1.1761 C#C[C@H]1C[C@@H](C1)COCCSC 4de48bd25ee1e125acb68ac9cf187f1f [0,2,0,1,0,0|1,0,0]=4 35788 B12R1.1761 C#C[C@H]1C[C@@H](C1)COCOCC 60d441870582c82af52fa3e84ebb5b1d [0,2,0,1,0,0|1,0,0]=4 35789 B12R1.1761 CCC1CN(C1)CCCCCF f0f9367855a15900d5337bf8fb7c23e4 [0,2,0,1,0,0|1,0,0]=4 35790 B12R1.1761 CCC1CN(C1)CCCCCO 065ed0bbd3ebfd66790116f69433ca3c [0,2,0,1,0,0|1,0,0]=4 35791 B12R1.1761 CCC1CN(C1)CCCCOC 251a1b684afd197d733769dbb9873129 [0,2,0,1,0,0|1,0,0]=4 35792 B12R1.1761 CCC1CN(C1)COCCOC bb69e2eecd3d22bece09a55960c40dd9 [0,2,0,1,0,0|1,0,0]=4 35793 B12R1.1761 CCCCCCN1CC(C1)CC 7a4bf7d8599605fbeccd897f14ba126a [0,2,0,1,0,0|1,0,0]=4 35794 B12R1.1761 CCCCCNC1CC(C1)C#N 74bd7242ac0587d4382c0002299c7321 [0,2,0,1,0,0|1,0,0]=4 35795 B12R1.1761 CCCCCNC1CC(C1)CO 3310a9af448870f7b7e1b6436615d5e4 [0,2,0,1,0,0|1,0,0]=4 35796 B12R1.1761 CCCCCNC1CC(C1)OC 27012c5d863891f4bc813a951372c75e [0,2,0,1,0,0|1,0,0]=4 35797 B12R1.1761 CCCCCNC1CN(C1)CC 858e3ba9fdf264f90d055ae2ff23c89c [0,2,0,1,0,0|1,0,0]=4 35798 B12R1.1761 CCCCCN[C@H]1C[C@@H](C1)CO 995f3a9cbb58ce4123a9280ddf8ca32b [0,2,0,1,0,0|1,0,0]=4 35799 B12R1.1761 CCCCCN[C@H]1C[C@@H](C1)OC d65347ae3e13bc84d71ac1a9eebe86e9 [0,2,0,1,0,0|1,0,0]=4 35800 B12R1.1761 CCCCCN[C@H]1C[C@H](C1)CO 76c8d9e6f7ae97675fe8713fa5d1579f [0,2,0,1,0,0|1,0,0]=4 35801 B12R1.1761 CCCCCN[C@H]1C[C@H](C1)OC 5a4ee343dc3e14cc33dc9ac1c1bb3e88 [0,2,0,1,0,0|1,0,0]=4 35802 B12R1.1761 CCCCCOC1CC(C1)C#N f94610c93eec7c77c23358f979a95845 [0,2,0,1,0,0|0,0,0]=3 35803 B12R1.1761 CCCCCOC1CC(C1)OC 87020baad4cf1f7eb4b095c9504a3ca3 [0,2,0,1,0,0|0,0,0]=3 35804 B12R1.1761 CCCCCOC1CN(C1)CC c93a8ffd5181c300de9862014224dceb [0,2,0,1,0,0|0,0,0]=3 35805 B12R1.1761 CCCCCO[C@H]1C[C@@H](C1)C#N ce7f4faff9dbd11888046aef99a7a9f7 [0,2,0,1,0,0|0,0,0]=3 35806 B12R1.1761 CCCCCO[C@H]1C[C@@H](C1)OC ec7d9b5713fbf29d91a74aa579b63296 [0,2,0,1,0,0|0,0,0]=3 35807 B12R1.1761 CCCCCO[C@H]1C[C@H](C1)C#N a7af1a76ab537c81643acf722abb2fc5 [0,2,0,1,0,0|0,0,0]=3 35808 B12R1.1761 CCCCCO[C@H]1C[C@H](C1)CF b3107bc73e538a9c7f094e555c542298 [0,2,0,1,0,0|0,0,0]=3 35809 B12R1.1761 CCCCCO[C@H]1C[C@H](C1)OC 8bf4b923510914af6567e0a33fdcce55 [0,2,0,1,0,0|0,0,0]=3 35810 B12R1.1761 CCCCNCC1CC(C1)C=O 1da3fb6ee1c5f495365b72ee85a190c2 [0,2,0,1,0,0|1,0,0]=4 35811 B12R1.1761 CCCCNCC1CC(C1)CO e22ac91788f5c47308f5295baaed481a [0,2,0,1,0,0|1,0,0]=4 35812 B12R1.1761 CCCCNCC1CC(C1)OC 4f71075dbf172ef4d9ab675c8da56c36 [0,2,0,1,0,0|1,0,0]=4 35813 B12R1.1761 CCCCNCC1CN(C1)CC 72c7f932cb93f6b270b530d8d4d6168f [0,2,0,1,0,0|1,0,0]=4 35814 B12R1.1761 CCCCOCC1CC(C1)C#N ea3da93ea337343fbfa38bbca354850e [0,2,0,1,0,0|0,0,0]=3 35815 B12R1.1761 CCCCOCC1CC(C1)C=O 9ba6ef59eed8ae0c09492810fc7a9e81 [0,2,0,1,0,0|0,0,0]=3 35816 B12R1.1761 CCCCOCC1CC(C1)OC f9e344c8e8d959cc1172511720319428 [0,2,0,1,0,0|0,0,0]=3 35817 B12R1.1761 CCCCOCC1CN(C1)CC eea9cfcd0e71713e2a0c42af235be8dd [0,2,0,1,0,0|0,0,0]=3 35818 B12R1.1761 CCCCOCN1CC(C1)C#N 2517b578b542b7b09605903c1b233fab [0,2,0,1,0,0|1,0,0]=4 35819 B12R1.1761 CCCCOCN1CC(C1)CC ad84bba6b2e853b57749e6443ff602c8 [0,2,0,1,0,0|0,0,0]=3 35820 B12R1.1761 CCCCOCN1CC(C1)CF 41bcea9adaa7058c78966a08d861c6bd [0,2,0,1,0,0|1,0,0]=4 35821 B12R1.1761 CCCCOCN1CC(C1)CO 54c2faa7dd679de65c3f1fa587175ee8 [0,2,0,1,0,0|1,0,0]=4 35822 B12R1.1761 CCCCOCN1CC(C1)OC e2845de4bbd6a7872784c78882a74e3a [0,2,0,1,0,0|1,0,0]=4 35823 B12R1.1761 CCCCOCN1CC(C1)SC a17fbf21385e27220213c97f90152e56 [0,2,0,1,0,0|1,0,0]=4 35824 B12R1.1761 CCCCOC[C@H]1C[C@@H](C1)OC 53dd2e0a936a218c9e3f4ddaadcd875c [0,2,0,1,0,0|0,0,0]=3 35825 B12R1.1761 CCCCOC[C@H]1C[C@H](C1)OC c231a1c7f20c501627858f4be929fdc8 [0,2,0,1,0,0|0,0,0]=3 35826 B12R1.1761 CCCOCCN1CC(C1)CC bdd5b3a86f90c5c53fa5d63b57a1a91f [0,2,0,1,0,0|1,0,0]=4 35827 B12R1.1761 CCN1CC(C1)COCCCF f483a169b4ebccb2ba958130f918c1cb [0,2,0,1,0,0|1,0,0]=4 35828 B12R1.1761 CCN1CC(C1)COCCCS 13f300d0ed6a882da10beb2a54ba5d9c [0,2,0,1,0,0|1,0,0]=4 35829 B12R1.1761 CCN1CC(C1)COCCOC f9b518ec32fe9042d047b40727c5009b [0,2,0,1,0,0|1,0,0]=4 35830 B12R1.1761 CCN1CC(C1)COCCSC cb8ce2bd94573d711e75891a2b497ad5 [0,2,0,1,0,0|1,0,0]=4 35831 B12R1.1761 CCN1CC(C1)OCCCCF 2732d5265edc8de5858c7288bf8c0bd0 [0,2,0,1,0,0|1,0,0]=4 35832 B12R1.1761 CCN1CC(C1)OCCCOC 1cb909774a72115865e4b2bfa465eaa1 [0,2,0,1,0,0|1,0,0]=4 35833 B12R1.1761 CCN1CC(C1)OCCCSC 1e639c0381b8d848d1e560fba7439e20 [0,2,0,1,0,0|1,0,0]=4 35834 B12R1.1761 CCOCCCN1CC(C1)CC 7cdbb9ca0ea085c3318a09593b9445e3 [0,2,0,1,0,0|1,0,0]=4 35835 B12R1.1761 CCOCCOC1CC(C1)C#N 658cd51829c2e8ad7b926dcf880ca8ee [0,2,0,1,0,0|1,0,0]=4 35836 B12R1.1761 CCOCCOC1CC(C1)OC d07f9b9d780efa534761784df51b69e4 [0,2,0,1,0,0|1,0,0]=4 35837 B12R1.1761 CCOCCOC1CN(C1)CC cc52fc8099c4f8ea1da8ba4db6466fdb [0,2,0,1,0,0|1,0,0]=4 35838 B12R1.1761 CCOCCO[C@H]1C[C@@H](C1)C#N 56f3c201e9db88c1f85f9d38090a5aae [0,2,0,1,0,0|1,0,0]=4 35839 B12R1.1761 CCOCCO[C@H]1C[C@@H](C1)OC 45368453bcf7a4000b49860afc528a1f [0,2,0,1,0,0|1,0,0]=4 35840 B12R1.1761 CCOCCO[C@H]1C[C@H](C1)C#N 207afbcf79b08dd51e6fe60a2defe44b [0,2,0,1,0,0|1,0,0]=4 35841 B12R1.1761 CCOCCO[C@H]1C[C@H](C1)CF eb63554de11e7f33024056f6af16f537 [0,2,0,1,0,0|1,0,0]=4 35842 B12R1.1761 CCOCCO[C@H]1C[C@H](C1)OC 14634e78345e502353027d4e13b663fd [0,2,0,1,0,0|1,0,0]=4 35843 B12R1.1761 CCOCOCC1CC(C1)C#N 17f43d5934f5a99b6767cceebad56a08 [0,2,0,1,0,0|1,0,0]=4 35844 B12R1.1761 CCOCOCC1CC(C1)OC bb66b86736922c21ca39fbdf973b7bf7 [0,2,0,1,0,0|1,0,0]=4 35845 B12R1.1761 CCOCOCC1CN(C1)CC b5997a4204599ad95153688f739e5c9e [0,2,0,1,0,0|1,0,0]=4 35846 B12R1.1761 CCOCOC[C@H]1C[C@@H](C1)OC ed17ca4531c46d30dcb03d0118fe31b3 [0,2,0,1,0,0|1,0,0]=4 35847 B12R1.1761 CCOCOC[C@H]1C[C@H](C1)OC 340842b819fe9f68d9b85b1affe467b5 [0,2,0,1,0,0|1,0,0]=4 35848 B12R1.1761 CCSCCCN1CC(C1)CC 0db32940bd850462a0ab4c097f7c8c97 [0,2,0,1,0,0|1,0,0]=4 35849 B12R1.1761 CCSCCOC1CC(C1)C#N 575faa725f95c3302268d3ef4b3abbee [0,2,0,1,0,0|1,0,0]=4 35850 B12R1.1761 CCSCCOC1CC(C1)OC 7aeb6059145185fbb3d1e4c5a5850fe1 [0,2,0,1,0,0|1,0,0]=4 35851 B12R1.1761 CCSCCOC1CN(C1)CC 1b6dc304bc4753a4b16de5977fc5894b [0,2,0,1,0,0|1,0,0]=4 35852 B12R1.1761 CCSCCO[C@H]1C[C@@H](C1)C#N 0b56b6a9fafa9482f5f44c319ac116d4 [0,2,0,1,0,0|1,0,0]=4 35853 B12R1.1761 CCSCCO[C@H]1C[C@@H](C1)OC 782fe55c920e1c1ca475a3aeeb1b537f [0,2,0,1,0,0|1,0,0]=4 35854 B12R1.1761 CCSCCO[C@H]1C[C@H](C1)C#N 03fbf02b6a8e568e6a8f50e3ea3723ea [0,2,0,1,0,0|1,0,0]=4 35855 B12R1.1761 CCSCCO[C@H]1C[C@H](C1)CF 637ab6f360f526576747299310c7ec01 [0,2,0,1,0,0|1,0,0]=4 35856 B12R1.1761 CCSCCO[C@H]1C[C@H](C1)OC 293713f13b4c8842b7534a2f54c7b3c5 [0,2,0,1,0,0|1,0,0]=4 35857 B12R1.1761 COC1CC(C1)COCCCF 7bc4781886e87e928adda0614cbb2900 [0,2,0,1,0,0|1,0,0]=4 35858 B12R1.1761 COC1CC(C1)COCCCS 4d3e622e3a3c6623306ac36f6113feed [0,2,0,1,0,0|1,0,0]=4 35859 B12R1.1761 COC1CC(C1)COCCSC d64b7e7243c1341b5467f92e5a608dbc [0,2,0,1,0,0|1,0,0]=4 35860 B12R1.1761 COC1CC(C1)OCCCCF f6ad487dcec67c588469d4f9cb69a926 [0,2,0,1,0,0|1,0,0]=4 35861 B12R1.1761 COC1CC(C1)OCCCCS 7e8fae05ff53039a1137f5a15cd25a44 [0,2,0,1,0,0|1,0,0]=4 35862 B12R1.1761 COC1CC(C1)OCCCSC d712c1abe285351330c163eeb8a23960 [0,2,0,1,0,0|1,0,0]=4 35863 B12R1.1761 COCCCOC1CC(C1)C#N 77ecb591431b8f899a062d85d2c4fc24 [0,2,0,1,0,0|1,0,0]=4 35864 B12R1.1761 COCCCOC1CC(C1)OC bbc5918d5ce09c658ca0e6e2104808f4 [0,2,0,1,0,0|1,0,0]=4 35865 B12R1.1761 COCCCO[C@H]1C[C@@H](C1)C#N ac7a19b79660e127c0ba3189e22eee8d [0,2,0,1,0,0|1,0,0]=4 35866 B12R1.1761 COCCCO[C@H]1C[C@@H](C1)OC e51456029a16c5fb7431de8c794645f0 [0,2,0,1,0,0|1,0,0]=4 35867 B12R1.1761 COCCCO[C@H]1C[C@H](C1)C#N 11261c3722e2ce2ce9b48338de00bf1a [0,2,0,1,0,0|1,0,0]=4 35868 B12R1.1761 COCCCO[C@H]1C[C@H](C1)CF e22ea597b7a64b912ea2cd8b3a980f77 [0,2,0,1,0,0|1,0,0]=4 35869 B12R1.1761 COCCCO[C@H]1C[C@H](C1)OC 54fab2b5ce8b050e07efb7ff80ad6c63 [0,2,0,1,0,0|1,0,0]=4 35870 B12R1.1761 COCCOCC1CC(C1)C#N 7125a4cd0340ebc792376bafdb641a1f [0,2,0,1,0,0|1,0,0]=4 35871 B12R1.1761 COCCOCC1CC(C1)C=O e5a3427ace0c91e726a1b191b6f36d9f [0,2,0,1,0,0|1,0,0]=4 35872 B12R1.1761 COCCOCC1CC(C1)OC d79a628acb64c58aa4f32c5f44993632 [0,2,0,1,0,0|1,0,0]=4 35873 B12R1.1761 COCCOC[C@H]1C[C@@H](C1)OC 59da8333e52718c5fdf570093c784dc1 [0,2,0,1,0,0|1,0,0]=4 35874 B12R1.1761 COCCOC[C@H]1C[C@H](C1)OC 39c1d51d09db9e9d6ebc3f3ddc03c115 [0,2,0,1,0,0|1,0,0]=4 35875 B12R1.1761 CO[C@H]1C[C@@H](C1)COCCCF f922d56004f5b150dacc844ed2cc5fce [0,2,0,1,0,0|1,0,0]=4 35876 B12R1.1761 CO[C@H]1C[C@@H](C1)COCCCS d1d206a01e82e4486a87c8bd56dd9b82 [0,2,0,1,0,0|1,0,0]=4 35877 B12R1.1761 CO[C@H]1C[C@@H](C1)COCCSC 3c007baa1d1138d831be951aba10b8fb [0,2,0,1,0,0|1,0,0]=4 35878 B12R1.1761 CO[C@H]1C[C@@H](C1)OCCCCF c4fd5e15cea44857bd5893f6e0287c08 [0,2,0,1,0,0|1,0,0]=4 35879 B12R1.1761 CO[C@H]1C[C@@H](C1)OCCCCS d073839949daca9b76f299be751a26bb [0,2,0,1,0,0|1,0,0]=4 35880 B12R1.1761 CO[C@H]1C[C@@H](C1)OCCCSC 6c9df449f6e26ffa0d4de8a997bdbdd9 [0,2,0,1,0,0|1,0,0]=4 35881 B12R1.1761 CO[C@H]1C[C@H](C1)COCCCF 150619864dc014ea916540ffd9edc350 [0,2,0,1,0,0|1,0,0]=4 35882 B12R1.1761 CO[C@H]1C[C@H](C1)COCCCS 898fca2c86dfe527136b3eb144fdc384 [0,2,0,1,0,0|1,0,0]=4 35883 B12R1.1761 CO[C@H]1C[C@H](C1)COCCSC 1268678c5f3003373a818d78c82a98fa [0,2,0,1,0,0|1,0,0]=4 35884 B12R1.1761 CO[C@H]1C[C@H](C1)OCCCCF 0c826451df40d962e23917ddb93c0d0e [0,2,0,1,0,0|1,0,0]=4 35885 B12R1.1761 CO[C@H]1C[C@H](C1)OCCCSC 881fd9d2551fc15aa31a12ec4fd65f32 [0,2,0,1,0,0|1,0,0]=4 35886 B12R1.1761 CSCCCOC1CC(C1)C#N 358341337a1447684608cd3366e7eab9 [0,2,0,1,0,0|1,0,0]=4 35887 B12R1.1761 CSCCCO[C@H]1C[C@@H](C1)C#N 3c8d211c76799d16c7624f0f4a0098f2 [0,2,0,1,0,0|1,0,0]=4 35888 B12R1.1761 CSCCCO[C@H]1C[C@H](C1)C#N 02b50712b227a4e7c25f6c3c2baf0aea [0,2,0,1,0,0|1,0,0]=4 35889 B12R1.1761 CSCCCO[C@H]1C[C@H](C1)CF 308e9d11e094769508463f0155f88e92 [0,2,0,1,0,0|1,0,0]=4 35890 B12R1.1761 CSCCOCC1CC(C1)C#N ad0e209252569fe263e22b130fc80943 [0,2,0,1,0,0|1,0,0]=4 35891 B12R1.1761 CSCCOCC1CC(C1)C=O 4dddd1d496577c2fb76621251526c1ff [0,2,0,1,0,0|1,0,0]=4 35892 B12R1.1761 FCCCCO[C@H]1C[C@H](C1)CF ad83613e35c3910724589a9adc7ef51e [0,2,0,1,0,0|1,0,0]=4 35893 B12R1.1761 N#CC1CC(C1)COCCCF 93d53b0cc456f885ae40540a931526ba [0,2,0,1,0,0|1,0,0]=4 35894 B12R1.1761 N#CC1CC(C1)COCCCS 84b73ed44d8683bbf7411f173b1d2f14 [0,2,0,1,0,0|1,0,0]=4 35895 B12R1.1761 N#CC1CC(C1)OCCCCF 1abaa6d88981c26dc814eb3d18a4a7f9 [0,2,0,1,0,0|1,0,0]=4 35896 B12R1.1761 N#CC1CC(C1)OCCCCS 7a31e05a14d3105c64b44109c6caa9e5 [0,2,0,1,0,0|1,0,0]=4 35897 B12R1.1761 N#C[C@H]1C[C@@H](C1)OCCCCF 4b3404a1a655cf780c8c5002cb7618e1 [0,2,0,1,0,0|1,0,0]=4 35898 B12R1.1761 N#C[C@H]1C[C@H](C1)OCCCCF e64b007a3d0aa202dabe0a8ce7822984 [0,2,0,1,0,0|1,0,0]=4 35899 B12R1.1761 O=CC1CC(C1)COCCCF 9c1825c43f6598df6069dbbaded4950f [0,2,0,1,0,0|1,0,0]=4 35900 B12R1.1761 O=CC1CC(C1)COCCCS 7ea390bd91d662d5ff2bdcc111a03ed3 [0,2,0,1,0,0|1,0,0]=4 35901 B12R1.1785 CCCNC1(CCCCCC1)C 5a2b31f4a505dea3ad2dd1ea0b07eb12 [0,2,0,1,0,0|1,0,0]=4 35902 B12R1.1785 CCNCC1(CCCCCC1)O cf7f0824fdc6e5602dd4d139a28f0f1f [0,2,0,1,0,0|1,0,0]=4 35903 B12R1.34 CCC(C)N(C)C1CCCCO1 2441a06751196af7bf67d196b68128c0 [0,2,0,1,0,0|1,0,0]=4 35904 B12R1.108 CCC(=O)C(C)OC1CCCC1 e98ae7826c6fa44cc6ef7158a0f45d87 [0,2,0,1,0,0|0,0,1]=4 35905 B12R1.108 CCC(C)C(C)NC1CCCC1 9bd1ecde46aba2579e35f9f9162bea11 [0,2,0,1,0,0|1,0,0]=4 35906 B12R1.108 CCC(C)C(C)OC1CCCC1 8e883275d5aee52f079c636074ed070b [0,2,0,1,0,0|0,0,0]=3 35907 B12R1.108 CCC(C)C(C)OC1CCOC1 861df5438f3d58d365491001053621e0 [0,2,0,1,0,0|1,0,0]=4 35908 B12R1.108 CCC(C)C(C)O[C@@H]1CCOC1 13c166fb75630357f7d0bd668ba685e2 [0,2,0,1,0,0|1,0,0]=4 35909 B12R1.108 CCC(C)C(C)O[C@H]1CCOC1 23a70ef177b3c80994711ad11c0fd356 [0,2,0,1,0,0|1,0,0]=4 35910 B12R1.108 COC(C)C(C)OC1CCCC1 04c7c537e4b53dd2cb62c99bbde61935 [0,2,0,1,0,0|1,0,0]=4 35911 B12R1.373 C#CCCCCN1CCC1CC e09dbf78afe3f01e7d986b00010a314e [0,2,0,1,0,0|1,0,0]=4 35912 B12R1.373 C/C=C\CCCN1CCC1CC 22b45cc11d821d424783972e18115f7e [0,2,0,1,0,0|1,0,0]=4 35913 B12R1.373 C=CCCCCN1CCC1CC 3400cf8888c68dab0429b9606a919c82 [0,2,0,1,0,0|1,0,0]=4 35914 B12R1.373 CC#CCCCN1CCC1CC 60e33d7eedcce914d72e659f36d575fa [0,2,0,1,0,0|1,0,0]=4 35915 B12R1.373 CC/C=C\CCN1CCC1CC 75a63674204adb9294faacc2cf9b86f0 [0,2,0,1,0,0|1,0,0]=4 35916 B12R1.373 CCC/C=C/CN1CCC1CC 94bc72139f440792fce90afd515b0bc9 [0,2,0,1,0,0|1,0,0]=4 35917 B12R1.373 CCC/C=C\CN1CCC1CC 35f67c9b7ce45c9a7d03fb3ce1b5f0ba [0,2,0,1,0,0|1,0,0]=4 35918 B12R1.373 CCC1CCN1CCCCC#N faf16471659c048ebdf65b13ac7b4175 [0,2,0,1,0,0|1,0,0]=4 35919 B12R1.373 CCC1CCN1CCCCC=O 70090cb43dc431c6cd3e12a78614e791 [0,2,0,1,0,0|1,0,0]=4 35920 B12R1.373 CCC1CCN1CCCCCF 5602ba24e55cabdffbefd69b94060f4a [0,2,0,1,0,0|1,0,0]=4 35921 B12R1.373 CCC1CCN1CCCCCO 05224bd80f2edec4cf2f335ae38bd3f2 [0,2,0,1,0,0|1,0,0]=4 35922 B12R1.373 CCC1CCN1CCCCOC 96acc27b8fa8bebb2af6cc62db4c3950 [0,2,0,1,0,0|1,0,0]=4 35923 B12R1.373 CCC1CCN1CCCCON 7074b2d822eb56841fd2b669c1084ccf [0,2,0,1,0,0|1,0,0]=4 35924 B12R1.373 CCC1CCN1CCOCCO 68ecb78f2fcbad17c68bd58d0767fd44 [0,2,0,1,0,0|1,0,0]=4 35925 B12R1.373 CCC1CCN1CCOCOC ce78883a39f8c610400331cda5d8cb70 [0,2,0,1,0,0|1,0,0]=4 35926 B12R1.373 CCC1CCN1COCCOC 45b9ce5a134cf280a5fbd983b7628754 [0,2,0,1,0,0|1,0,0]=4 35927 B12R1.373 CCCCCCN1CCC1CC f98bd7aa2a6ea916d98925a07bd5a625 [0,2,0,1,0,0|1,0,0]=4 35928 B12R1.373 CCCCCCN1CCC1CO 53d32af24821cfba06cf814f16218435 [0,2,0,1,0,0|1,0,0]=4 35929 B12R1.373 CCCCCCN1CC[C@@H]1CO 211f1208c7cc904e216cee9053f173b9 [0,2,0,1,0,0|1,0,0]=4 35930 B12R1.373 CCCCCCN1CC[C@H]1CO 2c7b30c7c9d03de73e1e02aa3b16779b [0,2,0,1,0,0|1,0,0]=4 35931 B12R1.373 CCCCCNC1CCC1OC ef5b7361cc8e2a1b4737634cb26b9887 [0,2,0,1,0,0|1,0,0]=4 35932 B12R1.373 CCCCCN[C@@H]1CC[C@@H]1OC b2ea24e91bafb56a2a02b8e230150788 [0,2,0,1,0,0|1,0,0]=4 35933 B12R1.373 CCCCCN[C@@H]1CC[C@H]1OC 7a632e4f919ff896a1a67d116a96faa0 [0,2,0,1,0,0|1,0,0]=4 35934 B12R1.373 CCCCCN[C@H]1CC[C@@H]1OC 0c6bef934b845ec134fa821d6155e7a6 [0,2,0,1,0,0|1,0,0]=4 35935 B12R1.373 CCCCCN[C@H]1CC[C@H]1OC 0bed39dc826d8de697614810c25e1c37 [0,2,0,1,0,0|1,0,0]=4 35936 B12R1.373 CCCCOCC1CCC1OC 191c40d15c11071ade000b6b108d7a3e [0,2,0,1,0,0|0,0,0]=3 35937 B12R1.373 CCCCOCN1CCC1CC 0cfaffe2e53541491d452f71e961fbb8 [0,2,0,1,0,0|0,0,0]=3 35938 B12R1.373 CCCCOCN1CCC1CO 54fa37c0d2ad9e80ea75964ad82b2199 [0,2,0,1,0,0|0,0,0]=3 35939 B12R1.373 CCCCOCN1CC[C@@H]1CO a4fd46ce8ec6a866e3f91970152a9ae7 [0,2,0,1,0,0|0,0,0]=3 35940 B12R1.373 CCCCOCN1CC[C@H]1CO 48df15787eefdea320042e0a42e52a94 [0,2,0,1,0,0|0,0,0]=3 35941 B12R1.373 CCCCOC[C@@H]1CC[C@H]1OC cac55b26975b324a95430b4e041b0a3b [0,2,0,1,0,0|0,0,0]=3 35942 B12R1.373 CCCCOC[C@H]1CC[C@H]1OC 714544a0156c0feae507cd2cdff7592f [0,2,0,1,0,0|0,0,0]=3 35943 B12R1.373 CCCOCCN1CCC1CC 5055b5fe823406998b693638c6c15715 [0,2,0,1,0,0|1,0,0]=4 35944 B12R1.373 CCCOCCN1CCC1CO 06cb3c2f149fb34faeeda5868d256c37 [0,2,0,1,0,0|1,0,0]=4 35945 B12R1.373 CCCOCCN1CC[C@@H]1CO f5664ceadf85d6f6358e03d73e8f673c [0,2,0,1,0,0|1,0,0]=4 35946 B12R1.373 CCCOCCN1CC[C@H]1CO 92a372f508470f604ff4f8bc0dc01f31 [0,2,0,1,0,0|1,0,0]=4 35947 B12R1.373 CCOCCCN1CCC1CC 8a8c056efab55d055828b25a2b044eca [0,2,0,1,0,0|1,0,0]=4 35948 B12R1.373 CCOCCCN1CCC1CO 9fec6a4b084a26fa4f3c3f5303cf126c [0,2,0,1,0,0|1,0,0]=4 35949 B12R1.373 CCOCCCN1CC[C@@H]1CO 6b18bf73810c8d3970434bb18af09d21 [0,2,0,1,0,0|1,0,0]=4 35950 B12R1.373 CCOCCCN1CC[C@H]1CO 8fadac29c4949b3d637b57d2c50d37fe [0,2,0,1,0,0|1,0,0]=4 35951 B12R1.373 CCOCCNC1CCC1OC 7e7f18ac7d2d4be9e9e66a7a4117b741 [0,2,0,1,0,0|1,0,0]=4 35952 B12R1.373 CCOCCN[C@@H]1CC[C@@H]1OC df481bd8b239d441b385f534fb8b9dfa [0,2,0,1,0,0|1,0,0]=4 35953 B12R1.373 CCOCCN[C@@H]1CC[C@H]1OC 7556387745d7e88ced5855d05c0b03ef [0,2,0,1,0,0|1,0,0]=4 35954 B12R1.373 CCOCCN[C@H]1CC[C@@H]1OC fdbb03c98c95d061cbb9706440bcac3a [0,2,0,1,0,0|1,0,0]=4 35955 B12R1.373 CCOCCN[C@H]1CC[C@H]1OC b189ae4990cdd7714c3305cf73cacf44 [0,2,0,1,0,0|1,0,0]=4 35956 B12R1.373 CCOCOCC1CCC1OC f53ccd3eaa817554d6581fc5fc2a7554 [0,2,0,1,0,0|1,0,0]=4 35957 B12R1.373 CCOCOC[C@@H]1CC[C@H]1OC 898480c709f52b38d8bafe03dcd8199b [0,2,0,1,0,0|1,0,0]=4 35958 B12R1.373 CCOCOC[C@H]1CC[C@H]1OC cb7ac70a3a2a7d2c2b5a0ec24abd027c [0,2,0,1,0,0|1,0,0]=4 35959 B12R1.373 CCSCCCN1CCC1CC 0c44cdbe5a32bf18c9543730c7399b3c [0,2,0,1,0,0|1,0,0]=4 35960 B12R1.373 CCSCCCN1CCC1CO b3008c97b6d648bd513bca0c7dde46ce [0,2,0,1,0,0|1,0,0]=4 35961 B12R1.373 CCSCCCN1CC[C@@H]1CO b4c15b8c622875a2e1b1795251364b3b [0,2,0,1,0,0|1,0,0]=4 35962 B12R1.373 CCSCCCN1CC[C@H]1CO 9f0f937751bbf904a29653ba707b03fe [0,2,0,1,0,0|1,0,0]=4 35963 B12R1.373 CCSCCNC1CCC1OC 6cf634d40ec3824b94d10a0a3d94cc0c [0,2,0,1,0,0|1,0,0]=4 35964 B12R1.373 CCSCCN[C@@H]1CC[C@@H]1OC f836d8efd6d04cc01d59e81d7458a099 [0,2,0,1,0,0|1,0,0]=4 35965 B12R1.373 CCSCCN[C@@H]1CC[C@H]1OC 5819565dbccffb2a1f43c67a3d3d86c7 [0,2,0,1,0,0|1,0,0]=4 35966 B12R1.373 CCSCCN[C@H]1CC[C@@H]1OC 9a475f2f73456ea03cbfb6a1068a3731 [0,2,0,1,0,0|1,0,0]=4 35967 B12R1.373 CCSCCN[C@H]1CC[C@H]1OC 4aeed19464457956c77600fa455840f6 [0,2,0,1,0,0|1,0,0]=4 35968 B12R1.373 COC1CCC1COCCCF 5da0d0db708c061b878c0d36ce2d789e [0,2,0,1,0,0|1,0,0]=4 35969 B12R1.373 COC1CCC1COCCCS cf3c7a928f1684e6fd8ce42b4174af48 [0,2,0,1,0,0|1,0,0]=4 35970 B12R1.373 COC1CCC1COCCSC 71a7e43eb2624f7c29eb89a6ef56142e [0,2,0,1,0,0|1,0,0]=4 35971 B12R1.373 COC1CCC1NCCCCF 78aad9f29b324f308e6878ff317a720c [0,2,0,1,0,0|1,0,0]=4 35972 B12R1.373 COC1CCC1NCCCCO 819417d7f597bcab67c270c272f60d7c [0,2,0,1,0,0|1,0,0]=4 35973 B12R1.373 COC1CCC1NCCCSC a8fe97c49851f551e8f8973b94e83982 [0,2,0,1,0,0|1,0,0]=4 35974 B12R1.373 COCCCCN1CCC1CO 5bc9f0d8f1f8f1b97298c104beb04ff6 [0,2,0,1,0,0|1,0,0]=4 35975 B12R1.373 COCCCCN1CC[C@@H]1CO 5b27ad760d1ad0a075bb5c46087fabb3 [0,2,0,1,0,0|1,0,0]=4 35976 B12R1.373 COCCCCN1CC[C@H]1CO 0c13816f2f714e4d5bf7cbd7cde837a6 [0,2,0,1,0,0|1,0,0]=4 35977 B12R1.373 COCCCNC1CCC1OC 0b4564591084db480aae07528b863694 [0,2,0,1,0,0|1,0,0]=4 35978 B12R1.373 COCCCN[C@@H]1CC[C@@H]1OC bfde1ec583ad731cf056df412eee63c4 [0,2,0,1,0,0|1,0,0]=4 35979 B12R1.373 COCCCN[C@@H]1CC[C@H]1OC fecf54a18c8f5c0084227794cf051950 [0,2,0,1,0,0|1,0,0]=4 35980 B12R1.373 COCCCN[C@H]1CC[C@@H]1OC 5cf950bfe121664b04067f07a850bd8c [0,2,0,1,0,0|1,0,0]=4 35981 B12R1.373 COCCCN[C@H]1CC[C@H]1OC 126be9dfdfc7a9b332ae9eaca2a88805 [0,2,0,1,0,0|1,0,0]=4 35982 B12R1.373 COCCOCC1CCC1OC 2b494802cb623c675389f9cca2518a84 [0,2,0,1,0,0|1,0,0]=4 35983 B12R1.373 COCCOCN1CCC1CO c853136542e6b92d118126380edb0dc6 [0,2,0,1,0,0|1,0,0]=4 35984 B12R1.373 COCCOCN1CC[C@@H]1CO 4f7b6a82904f552b7e69d338dee313a9 [0,2,0,1,0,0|1,0,0]=4 35985 B12R1.373 COCCOCN1CC[C@H]1CO 4a5327cd8cce02ce17f29bb77f21d02e [0,2,0,1,0,0|1,0,0]=4 35986 B12R1.373 COCCOC[C@@H]1CC[C@H]1OC 624999727fdd97790ddc66898b61d81a [0,2,0,1,0,0|1,0,0]=4 35987 B12R1.373 COCCOC[C@H]1CC[C@H]1OC 416697e808e2e75e5077856f463e01d9 [0,2,0,1,0,0|1,0,0]=4 35988 B12R1.373 CO[C@@H]1CC[C@@H]1COCCCF 9fa841eb8c9f6e2294c73ecf10398be6 [0,2,0,1,0,0|1,0,0]=4 35989 B12R1.373 CO[C@@H]1CC[C@@H]1COCCCS 92ff02b411a057391b9f010a753e359c [0,2,0,1,0,0|1,0,0]=4 35990 B12R1.373 CO[C@@H]1CC[C@@H]1COCCSC bb6d2952f448b846cf6e1e0aa11dfc00 [0,2,0,1,0,0|1,0,0]=4 35991 B12R1.373 CO[C@@H]1CC[C@@H]1NCCCCF 65c9ef1aac8076fdcea47fb5049e052c [0,2,0,1,0,0|1,0,0]=4 35992 B12R1.373 CO[C@@H]1CC[C@@H]1NCCCCO 3ea110451f1792fbb140b7658009c47c [0,2,0,1,0,0|1,0,0]=4 35993 B12R1.373 CO[C@@H]1CC[C@@H]1NCCCSC efd442790e8acc1827d2f4cd7218254d [0,2,0,1,0,0|1,0,0]=4 35994 B12R1.373 CO[C@@H]1CC[C@H]1COCCCF 73950cf3b4034802af46f97b21d8bbc2 [0,2,0,1,0,0|1,0,0]=4 35995 B12R1.373 CO[C@@H]1CC[C@H]1COCCCS 22a81f2bd61c54ed77be6c72f973dce5 [0,2,0,1,0,0|1,0,0]=4 35996 B12R1.373 CO[C@@H]1CC[C@H]1COCCSC 38c583637f1f3e26a463d1ae6018aaa5 [0,2,0,1,0,0|1,0,0]=4 35997 B12R1.373 CO[C@@H]1CC[C@H]1NCCCCF d191c74488fd0c50cd12fe366cbe41d8 [0,2,0,1,0,0|1,0,0]=4 35998 B12R1.373 CO[C@@H]1CC[C@H]1NCCCCO 2c41ffa011c13c2797b61a7774daf598 [0,2,0,1,0,0|1,0,0]=4 35999 B12R1.373 CO[C@@H]1CC[C@H]1NCCCSC 38ab4fff297e0f2479535332ed336957 [0,2,0,1,0,0|1,0,0]=4 36000 B12R1.373 CO[C@H]1CC[C@@H]1NCCCCF 894ac481ff987dc1f05e255b2b3222a6 [0,2,0,1,0,0|1,0,0]=4 36001 B12R1.373 CO[C@H]1CC[C@@H]1NCCCCO 118328701d9b09d72dbbf6aaf30823b8 [0,2,0,1,0,0|1,0,0]=4 36002 B12R1.373 CO[C@H]1CC[C@@H]1NCCCSC fafb5f8cdf8e294d2a6f4b380775c2b0 [0,2,0,1,0,0|1,0,0]=4 36003 B12R1.373 CO[C@H]1CC[C@H]1NCCCCF c4e409e25fea4a1c098723318e6710c8 [0,2,0,1,0,0|1,0,0]=4 36004 B12R1.373 CO[C@H]1CC[C@H]1NCCCCO 553397d423a232fd3c40970486e59a07 [0,2,0,1,0,0|1,0,0]=4 36005 B12R1.373 CO[C@H]1CC[C@H]1NCCCSC 0f2746ea1556a36266dfa32cdacf54ea [0,2,0,1,0,0|1,0,0]=4 36006 B12R1.373 OCC1CCN1CCCCCF 30bad7661efd327fd32658974a0e7239 [0,2,0,1,0,0|1,0,0]=4 36007 B12R1.373 OCCCCCN1CCC1CO 4949b8ddd61147fc00e42e8fe9f1c69c [0,2,0,1,0,0|1,0,0]=4 36008 B12R1.373 OCCCCCN1CC[C@@H]1CO a1a20ca7f76d0f6cd9ec765cfad11074 [0,2,0,1,0,0|1,0,0]=4 36009 B12R1.373 OCCCCCN1CC[C@H]1CO 90a489293dcbdf72691a6522ea936717 [0,2,0,1,0,0|1,0,0]=4 36010 B12R1.373 OC[C@@H]1CCN1CCCCCF c56dca2e418921591ba1bd15a49d0fe8 [0,2,0,1,0,0|1,0,0]=4 36011 B12R1.373 OC[C@H]1CCN1CCCCCF b9fd9d845c7ef01b4d2595939cef4829 [0,2,0,1,0,0|1,0,0]=4 36012 B12R1.385 CCCCN1CCC(C(C1)C)O b458ed744dc007507d66e0b6145e8b83 [0,2,0,1,0,0|1,0,0]=4 36013 B12R1.385 CCCCN1CCC(C(C1)O)C cae7b65fba486a7e7bae0dbf9fc198d5 [0,2,0,1,0,0|1,0,0]=4 36014 B12R1.385 CCCCN1CC[C@@H]([C@@H](C1)O)C e09613ad886ea025e901b99bfd3b04aa [0,2,0,1,0,0|1,0,0]=4 36015 B12R1.385 CCCCN1CC[C@@H]([C@H](C1)O)C aa56efaf8284f1188da4c58441655bad [0,2,0,1,0,0|1,0,0]=4 36016 B12R1.385 CCCCN1CC[C@@H]([C@H](C1)O)O 7b7c9a23769385d67851525b6fb5c354 [0,2,0,1,0,0|1,0,0]=4 36017 B12R1.385 CCCCN1CC[C@H]([C@@H](C1)C)O d087c0846247677878ecb6c6088bbb08 [0,2,0,1,0,0|1,0,0]=4 36018 B12R1.385 CCCCN1CC[C@H]([C@@H](C1)F)O 23412339022c01c8855ca26db0cfd8bb [0,2,0,1,0,0|1,0,0]=4 36019 B12R1.385 CCCCN1CC[C@H]([C@@H](C1)O)C 14761f7768e3d557e46ad624b3474f28 [0,2,0,1,0,0|1,0,0]=4 36020 B12R1.385 CCCCN1CC[C@H]([C@@H](C1)O)F be27ec30b8378b9316e715e141227d31 [0,2,0,1,0,0|1,0,0]=4 36021 B12R1.385 CCCCN1CC[C@H]([C@H](C1)C)O eae0e6ad1002bfa9fa241fa4d96826f6 [0,2,0,1,0,0|1,0,0]=4 36022 B12R1.385 CCCCN1CC[C@H]([C@H](C1)F)O b6d9f7e94b8cd75dabe2e20514bc6597 [0,2,0,1,0,0|1,0,0]=4 36023 B12R1.385 CCCCN1CC[C@H]([C@H](C1)O)C 3157d39844d61288163be303e2115af9 [0,2,0,1,0,0|1,0,0]=4 36024 B12R1.385 CCCCN1CC[C@H]([C@H](C1)O)F 5e66f694c832f55a29d324307805a0b7 [0,2,0,1,0,0|1,0,0]=4 36025 B12R1.470 CCC(=O)C(C)OCC1CCC1 456b22949288bd3c95b02456efd026c1 [0,2,0,1,0,0|0,0,1]=4 36026 B12R1.470 CCC(C)C(=O)COC1CCC1 5df2ca2e37167b8e1b7ac47300acd258 [0,2,0,1,0,0|0,0,1]=4 36027 B12R1.470 CCC(C)C(C)NCC1CCC1 90811f874cb093173f36e4803328f3c9 [0,2,0,1,0,0|1,0,0]=4 36028 B12R1.470 CCC(C)C(C)OCC1CCC1 2b9c5181420db95ed6edc7cbc4338b38 [0,2,0,1,0,0|0,0,0]=3 36029 B12R1.470 CCC(C)C(C)OCC1CCO1 d173f29b5eb7553d096bf9a250016b02 [0,2,0,1,0,0|1,0,0]=4 36030 B12R1.470 CCC(C)C(C)OCC1COC1 e8980c1617f9d7514135d8f485b82989 [0,2,0,1,0,0|1,0,0]=4 36031 B12R1.470 CCC(C)C(C)OC[C@@H]1CCO1 05aeccd99bb975b953c712923477c39e [0,2,0,1,0,0|1,0,0]=4 36032 B12R1.470 CCC(C)C(C)OC[C@H]1CCO1 10fc1499c88999750d4885909b5d2530 [0,2,0,1,0,0|1,0,0]=4 36033 B12R1.470 CCC(S)C(C)COC1CCC1 cb902107ba41e85938662bfc9cbde079 [0,2,0,1,0,0|0,0,0]=3 36034 B12R1.470 CCC(S)C(C)COC1COC1 28ddc9f8da7ce42b45304076d53601ca [0,2,0,1,0,0|1,0,0]=4 36035 B12R1.470 CCN(C)C(C)COC1CCC1 a446c4bd02f3c6b3c4e39883f253b31f [0,2,0,1,0,0|1,0,0]=4 36036 B12R1.470 CCN(C)[C@@H](C)COC1CCC1 39bd8a0db6bfa733a62707f18292b143 [0,2,0,1,0,0|1,0,0]=4 36037 B12R1.470 CCN(C)[C@H](C)COC1CCC1 c213e05aa80ca50c03aaae76781d0b5d [0,2,0,1,0,0|1,0,0]=4 36038 B12R1.470 COC(C)C(C)OCC1CCC1 e3c10b72c7c538f7881fbebe5de5ae55 [0,2,0,1,0,0|1,0,0]=4 36039 B12R1.471 CCC(=O)C(C)OCCC1CC1 0224ec3e396e0cf79de8ddefe2f61813 [0,2,0,1,0,0|0,0,1]=4 36040 B12R1.471 CCC(C)C(=O)COCC1CC1 3458bf19ddee088350a82bbc72bd4079 [0,2,0,1,0,0|0,0,1]=4 36041 B12R1.471 CCC(C)C(C)NCCC1CC1 805062e915a66046b7508316e93b181e [0,2,0,1,0,0|1,0,0]=4 36042 B12R1.471 CCC(C)C(C)OCCC1CC1 83e8287b456e2c406eb509c5345935b1 [0,2,0,1,0,0|0,0,0]=3 36043 B12R1.471 CCC(S)C(C)COCC1CC1 a00e897696aa13b97ad3d9622b3c467e [0,2,0,1,0,0|0,0,0]=3 36044 B12R1.471 CCN(C)C(C)COCC1CC1 51a5cfd773f7034d6613fc61498994bf [0,2,0,1,0,0|1,0,0]=4 36045 B12R1.471 CCN(C)[C@@H](C)COCC1CC1 b8fd6a2b2ad34ed1039ac821ae7a4f1e [0,2,0,1,0,0|1,0,0]=4 36046 B12R1.471 CCN(C)[C@H](C)COCC1CC1 34689a4e947365ca8af21db2fbce540b [0,2,0,1,0,0|1,0,0]=4 36047 B12R1.471 COC(C)C(C)OCCC1CC1 111fa438356dce6e32315ad554aa923f [0,2,0,1,0,0|1,0,0]=4 36048 B12R1.527 CC1C(CCN1CCCCF)O 406dd03147f0bc5016fa8289af2b97b6 [0,2,0,1,0,0|1,0,0]=4 36049 B12R1.527 CC1C(CCN1CCCCO)O 7bf40ab491e4b511ac29f4eda0b6bb9e [0,2,0,1,0,0|1,0,0]=4 36050 B12R1.527 CCCCCN1CCC(C1C)O 6081346aa2a6b074d61e5d5f9d95a6e2 [0,2,0,1,0,0|1,0,0]=4 36051 B12R1.527 CCCCCN1CC[C@@H]([C@@H]1C)O e07ff100f351c66bfeb5e7fd82a12cc4 [0,2,0,1,0,0|1,0,0]=4 36052 B12R1.527 CCCCCN1CC[C@H]([C@H]1C)O 672b0412c0f3c028841c7bbd9b191129 [0,2,0,1,0,0|1,0,0]=4 36053 B12R1.527 CCCCOC1CCC(=O)N1C 3756c9d97e0a1069fb8a1900b23876ed [0,2,0,1,0,0|0,0,1]=4 36054 B12R1.527 CCCCO[C@@H]1CCN(C1=O)C db2cb49045b227ac2b6254a2ec07bf05 [0,2,0,1,0,0|1,0,0]=4 36055 B12R1.527 CCOCCN1CCC(C1C)O 0b7681cbf03bf057c8c6d32cc65c7e4f [0,2,0,1,0,0|1,0,0]=4 36056 B12R1.527 CCOCCN1CC[C@@H]([C@@H]1C)O 076f04566a580e14de8e078048a7f8b6 [0,2,0,1,0,0|1,0,0]=4 36057 B12R1.527 CCOCCN1CC[C@H]([C@H]1C)O 9a22e3f406f5de80dcf73806c03b08dc [0,2,0,1,0,0|1,0,0]=4 36058 B12R1.527 CCSCCN1CCC(C1C)O b6aa132b08aaeee510fdaa959bf47171 [0,2,0,1,0,0|1,0,0]=4 36059 B12R1.527 CCSCCN1CC[C@@H]([C@@H]1C)O e49e6f320962b64a0e53c48aa9835e87 [0,2,0,1,0,0|1,0,0]=4 36060 B12R1.527 CCSCCN1CC[C@H]([C@H]1C)O 6a994740d2bce4eb007e50777ebaab6f [0,2,0,1,0,0|1,0,0]=4 36061 B12R1.527 COCCCN1CCC(C1C)O ce5795a1a11a59065e466cfd4d4cbeea [0,2,0,1,0,0|1,0,0]=4 36062 B12R1.527 COCCCN1CC[C@@H]([C@@H]1C)O df9cb8a4cbef9a95b11efe16787fe6ce [0,2,0,1,0,0|1,0,0]=4 36063 B12R1.527 COCCCN1CC[C@H]([C@H]1C)O 9fa1fb57f08540f1e4219a35122d951c [0,2,0,1,0,0|1,0,0]=4 36064 B12R1.527 CSCCCN1CCC(C1C)O 8228fd629b6d6766d2b1db06f2c26e05 [0,2,0,1,0,0|1,0,0]=4 36065 B12R1.527 CSCCCN1CC[C@@H]([C@@H]1C)O 0cdf2e5788e1e311085a2d86dfe51ae9 [0,2,0,1,0,0|1,0,0]=4 36066 B12R1.527 CSCCCN1CC[C@H]([C@H]1C)O dd412c4255b12b20fb64e54113e1c662 [0,2,0,1,0,0|1,0,0]=4 36067 B12R1.527 C[C@@H]1[C@@H](CCN1CCCCF)O 2b9b422705089db73cb5120e77671b9e [0,2,0,1,0,0|1,0,0]=4 36068 B12R1.527 C[C@@H]1[C@@H](CCN1CCCCO)O c0a087dd78839951cdbbf2fb1a0f2ba0 [0,2,0,1,0,0|1,0,0]=4 36069 B12R1.527 C[C@H]1[C@H](CCN1CCCCF)O a22051426b2570edc85c794b5468ee69 [0,2,0,1,0,0|1,0,0]=4 36070 B12R1.527 C[C@H]1[C@H](CCN1CCCCO)O 6f953a549e68e3bb7750c5be0b4242cb [0,2,0,1,0,0|1,0,0]=4 36071 B12R1.562 CC(OCCCCF)C1(CC1)C 645a20199b7ac91b0bbabe0b375d7bb0 [0,2,0,1,0,0|1,0,0]=4 36072 B12R1.562 CCCCCNC(C)C1(CC1)O 1d4ccc98fd1090f30c1fba605f98e859 [0,2,0,1,0,0|1,0,0]=4 36073 B12R1.562 CCCCCN[C@@H](C)C1(CC1)O e1e48984c1ba663e18da13d76556f255 [0,2,0,1,0,0|1,0,0]=4 36074 B12R1.562 CCCCCOC(C)C1(CC1)C 90f11abf10840bdf8998104340fd0533 [0,2,0,1,0,0|0,0,0]=3 36075 B12R1.562 CCCCOCC(=O)C1(CC1)C 58d6dc92fef7cf5dea9434b8160d0316 [0,2,0,1,0,0|0,0,1]=4 36076 B12R1.562 CCCCOCC(=O)C1(CC1)F 532c211d06c7b121e3e24dbe03c9e292 [0,2,0,1,0,0|0,0,1]=4 36077 B12R1.562 CCOCCOC(C)C1(CC1)C b897782082941e2b9d5f81b6f0d36e4c [0,2,0,1,0,0|1,0,0]=4 36078 B12R1.562 CCSCCOC(C)C1(CC1)C fd414875dc82c9aea9da0d5585633296 [0,2,0,1,0,0|1,0,0]=4 36079 B12R1.562 COCCCOC(C)C1(CC1)C ef85247cb99cdbf2adcee5960ed3e044 [0,2,0,1,0,0|1,0,0]=4 36080 B12R1.562 CSCCCOC(C)C1(CC1)C f025fcafe10c2464dd0894105fc3ead8 [0,2,0,1,0,0|1,0,0]=4 36081 B12R1.839 CCC(=O)C(C)OCC1CC1C 0ba0d6cbc0f6e790ab2266d662c131b8 [0,2,0,1,0,0|0,0,1]=4 36082 B12R1.839 CCC(=O)C(C)OC[C@@H]1C[C@@H]1C 213e83604b1e55a90d069fe1902efd05 [0,2,0,1,0,0|0,0,1]=4 36083 B12R1.839 CCC(=O)C(C)OC[C@@H]1C[C@H]1C 9e0cdd8d70ea867446abbd6056b0c537 [0,2,0,1,0,0|0,0,1]=4 36084 B12R1.839 CCC(=O)C(C)OC[C@H]1C[C@@H]1C 3efeb085643bcdb1c320110bcddb5256 [0,2,0,1,0,0|0,0,1]=4 36085 B12R1.1412 CCCCOC1CC1C(=O)OC 086da0da463463e3a5e87182dfe756f7 [0,2,0,1,0,0|0,0,1]=4 36086 B12R1.1659 CCC(C)N1CCCCCCC1 28cc0fd995715d2daff5715f5bf3fe1e [0,2,0,1,0,0|1,0,0]=4 36087 B12R1.1659 CCN(C)C1CCCCCCC1 b93cccb352108066a6ec3db460c808e9 [0,2,0,1,0,0|1,0,0]=4 36088 B12R1.25 CCCCN1CCCC(C1C)O 745386a16175eafea8630ab8c0bf9841 [0,2,0,1,0,0|1,0,0]=4 36089 B12R1.25 CCCCN1CCC[C@@H]([C@H]1C)O 1cbc960ef1fe98af4c91bd3ecda392ad [0,2,0,1,0,0|1,0,0]=4 36090 B12R1.25 CCCCN1CCC[C@H]([C@@H]1C)O bf2c018868b2b98a86fd9128e9b1bdf0 [0,2,0,1,0,0|1,0,0]=4 36091 B12R1.25 CCCCN1CCOC(C1C)C c476648e47938e0cec2cd988894246ea [0,2,0,1,0,0|1,0,0]=4 36092 B12R1.25 CCCNC1CCCC(C1C)C b22db59ffc451cfbf1685ff7b452b46d [0,2,0,1,0,0|1,0,0]=4 36093 B12R1.25 CCCOC1CCCC(C1C)C 537e03d0b3e251d02c53174cf0793a1e [0,2,0,1,0,0|1,0,0]=4 36094 B12R1.35 CC(OCCCF)C1CCCC1 64ae9d35c847c68ef87024c994c85449 [0,2,0,1,0,0|1,0,0]=4 36095 B12R1.35 CC(OCCCF)C1CCOC1 6db05a4c30e92593144ed52084e1f2bf [0,2,0,1,0,0|1,0,0]=4 36096 B12R1.35 CC(OCCCS)C1CCCC1 a0b0241d5b72161c5cfaf68bec1de619 [0,2,0,1,0,0|1,0,0]=4 36097 B12R1.35 CC(OCCCS)C1CCOC1 79594a71ecb07c0abe30ae6e269466a0 [0,2,0,1,0,0|1,0,0]=4 36098 B12R1.35 CCCCCN(C)C1CCCC1 7216d5d2c87a872e76ec8c7de706f992 [0,2,0,1,0,0|1,0,0]=4 36099 B12R1.35 CCCCCN(C)C1CCOC1 c04991dd40ed9debc399c521939b9858 [0,2,0,1,0,0|1,0,0]=4 36100 B12R1.35 CCCCCN(C)[C@@H]1CCOC1 4f13998481b35d73cb9900d46b62febe [0,2,0,1,0,0|1,0,0]=4 36101 B12R1.35 CCCCCN(C)[C@H]1CCOC1 655d4162d45f2cf878077132609c03e5 [0,2,0,1,0,0|1,0,0]=4 36102 B12R1.35 CCCCNC(C)C1CCCC1 20232d083254c2b24bd251ac48eb2f70 [0,2,0,1,0,0|1,0,0]=4 36103 B12R1.35 CCCCNC(C)C1CCCO1 0a8aa7a30e8cab9341cafb0bd2d6c7a8 [0,2,0,1,0,0|1,0,0]=4 36104 B12R1.35 CCCCN[C@@H](C)[C@@H]1CCCO1 8f381902d6b5f8ac1bf4a9434226c818 [0,2,0,1,0,0|1,0,0]=4 36105 B12R1.35 CCCCN[C@H](C)C1CCOC1 04a816767f43f31e3e7799f4ce4a654a [0,2,0,1,0,0|1,0,0]=4 36106 B12R1.35 CCCCOC(C)C1CCCC1 acdebc8a53480c2fb4b305b963b6248c [0,2,0,1,0,0|0,0,0]=3 36107 B12R1.35 CCCCOC(C)C1CCOC1 81512d50f94a8b64d8ea6ff265da9a7f [0,2,0,1,0,0|0,0,0]=3 36108 B12R1.35 CCCCO[C@H](C)[C@H]1CCCO1 7fa203b009e82896e0470eedd46e9d56 [0,2,0,1,0,0|0,0,0]=3 36109 B12R1.35 CCCNCC(=O)C1CCCC1 99df94bc2581b59a9713053c564f6a57 [0,2,0,1,0,0|1,0,0]=4 36110 B12R1.35 CCCNCC(C)N1CCCC1 b1993cdbc7f4bf3b7aa4c46ff3f2af8d [0,2,0,1,0,0|1,0,0]=4 36111 B12R1.35 CCCOCC(=O)C1CCCC1 a2671c1b929ad6f40598dbac56dac40b [0,2,0,1,0,0|1,0,0]=4 36112 B12R1.35 CCCOCC(C)N1CCCC1 303f848951218fecd58b7a02a00dca83 [0,2,0,1,0,0|1,0,0]=4 36113 B12R1.35 CCCOC[C@H](C)N1CCCC1 cb4f83e19e3d46bec7cf345bb68e22da [0,2,0,1,0,0|1,0,0]=4 36114 B12R1.35 CCNCCC(C)N1CCCC1 38562d7b27e4b4d4e463cf1806955380 [0,2,0,1,0,0|1,0,0]=4 36115 B12R1.35 CCOCCC(C)N1CCCC1 2851f927cd3399b0e86600546799e20f [0,2,0,1,0,0|1,0,0]=4 36116 B12R1.35 CCOCCN(C)C1CCCC1 562680b782f215984922d907a1005138 [0,2,0,1,0,0|1,0,0]=4 36117 B12R1.35 CCOCOC(C)C1CCCC1 523ea6eb95e11864f938f26526066451 [0,2,0,1,0,0|1,0,0]=4 36118 B12R1.35 CCOCOC(C)C1CCOC1 be7201ebdf711a4a61cf8c09b1107276 [0,2,0,1,0,0|1,0,0]=4 36119 B12R1.35 CCOCO[C@H](C)[C@H]1CCCO1 eb707a2b62a2bc4db61c6edb48b2c49c [0,2,0,1,0,0|1,0,0]=4 36120 B12R1.35 CCSCCN(C)C1CCCC1 be678ca7c816f64d33b6295d5f89d246 [0,2,0,1,0,0|1,0,0]=4 36121 B12R1.35 CN(CCCCF)C1CCCC1 6a0b3fbe6ea2a1a84138386402a10ba9 [0,2,0,1,0,0|1,0,0]=4 36122 B12R1.35 CN(CCCCO)C1CCCC1 644c248333195667d4029d91a7a291e2 [0,2,0,1,0,0|1,0,0]=4 36123 B12R1.35 COCCCN(C)C1CCCC1 0cea886e99d029d9c6c64782129ae709 [0,2,0,1,0,0|1,0,0]=4 36124 B12R1.35 COCCOC(C)C1CCCC1 c4434ce873ae5a6ddf90d67f325fa78c [0,2,0,1,0,0|1,0,0]=4 36125 B12R1.35 COCCOC(C)C1CCOC1 39a188799517adad19f35b5d1229184e [0,2,0,1,0,0|1,0,0]=4 36126 B12R1.35 COCCO[C@H](C)[C@H]1CCCO1 0025e061e89e529e96c55db54a9b1d3a [0,2,0,1,0,0|1,0,0]=4 36127 B12R1.35 CSCCCN(C)C1CCCC1 79cbc038485d6b0952ab87d797c9cdd2 [0,2,0,1,0,0|1,0,0]=4 36128 B12R1.35 CSCCOC(C)C1CCCC1 dcc3b8a63e048df440d9a37ca1632529 [0,2,0,1,0,0|1,0,0]=4 36129 B12R1.35 CSCCOC(C)C1CCOC1 af47c1cf31ce65c823bec08d9c10aca2 [0,2,0,1,0,0|1,0,0]=4 36130 B12R1.35 CSCCO[C@H](C)[C@H]1CCCO1 0e87300b0ce18058837a455cb1a99b1c [0,2,0,1,0,0|1,0,0]=4 36131 B12R1.35 C[C@@H](OCCCF)[C@H]1CCCO1 c34901276170497f2d8b360bc95adc8b [0,2,0,1,0,0|1,0,0]=4 36132 B12R1.35 C[C@@H](OCCCS)[C@H]1CCCO1 54e6f6e404df8f9f45be591d2b426235 [0,2,0,1,0,0|1,0,0]=4 36133 B12R1.55 CCCC(C)N(C)C1CCCC1 6a72d7ab39ccda08987e120e19f9d877 [0,2,0,1,0,0|1,0,0]=4 36134 B12R1.312 CCCC(C)N1CCC(C1)CC e4ab7372ed8d6ea4d674d37fb151a92e [0,2,0,1,0,0|1,0,0]=4 36135 B12R1.458 CCCCCN1CCC1CCO 5aa97f3766d75b7fead292eaaa117b2d [0,2,0,1,0,0|1,0,0]=4 36136 B12R1.458 CCCCCN1CCC1COC efe7a9bd8084459e27cf02e7e63582b4 [0,2,0,1,0,0|1,0,0]=4 36137 B12R1.458 CCCCCN1CC[C@@H]1COC 6ff1584f0e5e0d87d8e4a5f76c4cca52 [0,2,0,1,0,0|1,0,0]=4 36138 B12R1.458 CCCCCN1CC[C@H]1COC 54f3e8699df2163cb85e49fbfcf97944 [0,2,0,1,0,0|1,0,0]=4 36139 B12R1.458 CCOCCN1CCC1CCO 1f725e9ebdb768a453f2bc391ddf1923 [0,2,0,1,0,0|1,0,0]=4 36140 B12R1.458 CCOCCN1CCC1COC 71e6f81e2539f19f9a61f5a76a6075af [0,2,0,1,0,0|1,0,0]=4 36141 B12R1.458 CCOCCN1CC[C@@H]1COC e2f42bd7cc6a509bf98df406e74d859e [0,2,0,1,0,0|1,0,0]=4 36142 B12R1.458 CCOCCN1CC[C@H]1COC c9d789a57d4ea06d5defc35151231bfe [0,2,0,1,0,0|1,0,0]=4 36143 B12R1.458 CCSCCN1CCC1CCO 859cc6b4a9d1794774b51bab3b08d331 [0,2,0,1,0,0|1,0,0]=4 36144 B12R1.458 CCSCCN1CCC1COC e868681cb3721529b8f884bb3ed1bb6c [0,2,0,1,0,0|1,0,0]=4 36145 B12R1.458 CCSCCN1CC[C@@H]1COC 31d767b644a1c62e15e1f3bd5339193f [0,2,0,1,0,0|1,0,0]=4 36146 B12R1.458 CCSCCN1CC[C@H]1COC 00c9dc5fa446ee1786e4a8bb7fcd0107 [0,2,0,1,0,0|1,0,0]=4 36147 B12R1.458 COCC1CCN1CCCCF 3f9373d2bfa67edc18fde1b84b94193c [0,2,0,1,0,0|1,0,0]=4 36148 B12R1.458 COCC1CCN1CCCCO af762818814652bb93327d14b985f326 [0,2,0,1,0,0|1,0,0]=4 36149 B12R1.458 COCC1CCN1CCCSC c6ba6f4adf4899b71bcc1be7257bdc14 [0,2,0,1,0,0|1,0,0]=4 36150 B12R1.458 COCCCN1CCC1CCO de14dc157bdfec7915c2401d3d3cbde9 [0,2,0,1,0,0|1,0,0]=4 36151 B12R1.458 COCCCN1CCC1COC 406183fdf048208ed8ce2438dbe33e7d [0,2,0,1,0,0|1,0,0]=4 36152 B12R1.458 COCCCN1CC[C@@H]1COC 716cfc6791c93c0981b412650d7eafb1 [0,2,0,1,0,0|1,0,0]=4 36153 B12R1.458 COCCCN1CC[C@H]1COC 2ebeda3943a52622299c23f9b94baa52 [0,2,0,1,0,0|1,0,0]=4 36154 B12R1.458 COC[C@@H]1CCN1CCCCF 9217c3ed132671a7a9c0a1ed67b22ac0 [0,2,0,1,0,0|1,0,0]=4 36155 B12R1.458 COC[C@@H]1CCN1CCCCO c9abf133b54256347af0680d58516561 [0,2,0,1,0,0|1,0,0]=4 36156 B12R1.458 COC[C@@H]1CCN1CCCSC 9aba72ffac0eab766f4c7b068059b880 [0,2,0,1,0,0|1,0,0]=4 36157 B12R1.458 COC[C@H]1CCN1CCCCF 7f2373533d9da50d68598380ce3c392c [0,2,0,1,0,0|1,0,0]=4 36158 B12R1.458 COC[C@H]1CCN1CCCCO 84e0c4137d443e729dae35d49700981b [0,2,0,1,0,0|1,0,0]=4 36159 B12R1.458 COC[C@H]1CCN1CCCSC 2094ff77ee1f7da9e4d845e58a73121f [0,2,0,1,0,0|1,0,0]=4 36160 B12R1.458 CSCCCN1CCC1CCO 19a43cf015555ea50cfe8d0c722610dc [0,2,0,1,0,0|1,0,0]=4 36161 B12R1.458 OCCC1CCN1CCCCF e9cfec2915255c135f8ec9dd9033acd2 [0,2,0,1,0,0|1,0,0]=4 36162 B12R1.458 OCCCCN1CCC1CCO 9022dd42e9d449d975286ff7399199f2 [0,2,0,1,0,0|1,0,0]=4 36163 B12R1.486 C=C1CC(C1)C(C)OCCCC 2b1df997738e8140041f52a3c631b50b [0,2,0,1,0,0|0,0,1]=4 36164 B12R1.486 CCCCCN(C)C1CC(C1)F 8895fd302449ae33733b8e8df0c9cdb0 [0,2,0,1,0,0|1,0,0]=4 36165 B12R1.486 CCCCCN(C)C1CC(C1)O eb19d52b2625b8e6f58f7668c3ad7d85 [0,2,0,1,0,0|1,0,0]=4 36166 B12R1.486 CCCCCN(C)[C@H]1C[C@@H](C1)F a832e898a6b55c219dfb92ca4c1b7367 [0,2,0,1,0,0|1,0,0]=4 36167 B12R1.486 CCCCCN(C)[C@H]1C[C@@H](C1)O 4c2d3baf59559b00e43c4d78b096a5f5 [0,2,0,1,0,0|1,0,0]=4 36168 B12R1.486 CCCCCN(C)[C@H]1C[C@H](C1)F 246c23ebb58b96e825f8a4a990e93b4c [0,2,0,1,0,0|1,0,0]=4 36169 B12R1.486 CCCCNC(C)[C@H]1C[C@H](C1)O 5b32ce81fab1961e1aa213a03b824194 [0,2,0,1,0,0|1,0,0]=4 36170 B12R1.486 CCCCOC(C)C1CC(=O)C1 f1c647c1dfb2686dce6b86127bdae185 [0,2,0,1,0,0|0,0,1]=4 36171 B12R1.555 CCCC(C)N(C)CC1CCC1 e67340eb13aa8222c8192c2481c3f5a7 [0,2,0,1,0,0|1,0,0]=4 36172 B12R1.689 CCCCCN(C)C(C)C1CC1 8138b63c529488805dd1b0a6341f0ddd [0,2,0,1,0,0|1,0,0]=4 36173 B12R1.689 CCCCOC(C)C(=O)C1CC1 c8e8a1a911f9bc71a6ab2c3a41068dc1 [0,2,0,1,0,0|0,0,1]=4 36174 B12R1.2133 CCCCOC(C)C1(COC1)C 5c066fb285a0629cb164abead9f7f1b3 [0,2,0,1,0,0|1,0,0]=4 36175 B12R1.3 CCCN(CC)C1CCCCO1 c64abb76b36119a25c80c08bde0f6f5f [0,2,0,1,0,0|1,0,0]=4 36176 B12R1.45 C#CC1CCCC1OCCCC 06bd2483caacc09ec8b24f3edda8d577 [0,2,0,1,0,0|0,0,0]=3 36177 B12R1.45 C#CC1CCCC1OCCCF 4d2800476643c9e2305dd2f2808ba9ce [0,2,0,1,0,0|1,0,0]=4 36178 B12R1.45 C#CC1CCCC1OCCCS 01f34ad1c29ffd8f0cec020931929bc9 [0,2,0,1,0,0|1,0,0]=4 36179 B12R1.45 C#CC1CCCC1OCCOC 8f25a746a94be781cc2e95dbcf39f1b4 [0,2,0,1,0,0|1,0,0]=4 36180 B12R1.45 C#CC1CCCC1OCCSC 4efefe56a9cc2fa6f67a0ef3b136a2a9 [0,2,0,1,0,0|1,0,0]=4 36181 B12R1.45 C#CC1CCCC1OCOCC b1c84722d3248bd30ac5f4c7838305ad [0,2,0,1,0,0|1,0,0]=4 36182 B12R1.45 C#CC1CCCN1CCCCC 68b82122a6b83cc06a4f6ca6eb02d8bf [0,2,0,1,0,0|1,0,0]=4 36183 B12R1.45 CCC1CCCN1CCCCF 89629513fd0e9571809a34ac7178bd4c [0,2,0,1,0,0|1,0,0]=4 36184 B12R1.45 CCC1CCCN1CCCCO 70ffdf28f23049794fba93b3f5dd6a61 [0,2,0,1,0,0|1,0,0]=4 36185 B12R1.45 CCC1CCCN1CCCOC 3dec26e53e61674f53c07c9fe511183d [0,2,0,1,0,0|1,0,0]=4 36186 B12R1.45 CCC1CCCN1CCCSC d397ebc8a357a6d2925ff54b15cc9f89 [0,2,0,1,0,0|1,0,0]=4 36187 B12R1.45 CCCCCN1CCCC1C#N 8ab3f80aa75fb2c01ec426e71b237e82 [0,2,0,1,0,0|1,0,0]=4 36188 B12R1.45 CCCCCN1CCCC1CC 30b7a82d377570ee98e24484adcb28b0 [0,2,0,1,0,0|1,0,0]=4 36189 B12R1.45 CCCCCN1CCCC1CO f15fc04f127c8a53c228e2fe66e9655d [0,2,0,1,0,0|1,0,0]=4 36190 B12R1.45 CCCCCN1CCCC1OC 1d278a200f1d9699cec2ff81d21215c6 [0,2,0,1,0,0|1,0,0]=4 36191 B12R1.45 CCCCCN1CCC[C@@H]1CF 0bb634f3dd41e92418b22d3de4b5bd7e [0,2,0,1,0,0|1,0,0]=4 36192 B12R1.45 CCCCCN1CCC[C@@H]1CO ca06160c64d0449532ebd6bdb83ff506 [0,2,0,1,0,0|1,0,0]=4 36193 B12R1.45 CCCCCN1CCC[C@H]1C#N c0877ab1b0ed2509ee4c37688691da47 [0,2,0,1,0,0|1,0,0]=4 36194 B12R1.45 CCCCCN1CCC[C@H]1CC be985f600f2991cf484eb649ba86f23f [0,2,0,1,0,0|1,0,0]=4 36195 B12R1.45 CCCCCN1CCC[C@H]1CF 9515493ccc095d05907fcb15ad30df92 [0,2,0,1,0,0|1,0,0]=4 36196 B12R1.45 CCCCCN1CCC[C@H]1CO 9a322e09bf59b4c78cfbd03d9a99dec9 [0,2,0,1,0,0|1,0,0]=4 36197 B12R1.45 CCCCNC1CCCC1OC 87fbb66f8a7b51bc63546883ea6c524e [0,2,0,1,0,0|1,0,0]=4 36198 B12R1.45 CCCCNC1COCC1CO 9a28761d1bc5d21b351c1b53c68ac767 [0,2,0,1,0,0|1,0,0]=4 36199 B12R1.45 CCCCNC1COCC1OC 558485c8d2463719a1cf5047fae0f955 [0,2,0,1,0,0|1,0,0]=4 36200 B12R1.45 CCCCN[C@@H]1CCC[C@H]1CC fa309736032b5462fe636bf32e4b1589 [0,2,0,1,0,0|1,0,0]=4 36201 B12R1.45 CCCCN[C@@H]1CCC[C@H]1OC 125b6ac5f8adf13996ae58937603b650 [0,2,0,1,0,0|1,0,0]=4 36202 B12R1.45 CCCCN[C@@H]1COC[C@@H]1OC bbc787762f3eea56f24e98f959e3cd21 [0,2,0,1,0,0|1,0,0]=4 36203 B12R1.45 CCCCN[C@@H]1COC[C@H]1CO 7b1fa2f805dc87cde9ce83999a8f1f73 [0,2,0,1,0,0|1,0,0]=4 36204 B12R1.45 CCCCN[C@@H]1COC[C@H]1OC f9f132fdffed468f19c97af684547f1e [0,2,0,1,0,0|1,0,0]=4 36205 B12R1.45 CCCCN[C@H]1CCC[C@@H]1OC 2d7904a7fb0340d0218918a523e88d26 [0,2,0,1,0,0|1,0,0]=4 36206 B12R1.45 CCCCN[C@H]1CCC[C@H]1C#N e8ce96067a1e3dff25840569801af0b0 [0,2,0,1,0,0|1,0,0]=4 36207 B12R1.45 CCCCN[C@H]1CCC[C@H]1CO e647fc5c356082886e15ed6555250267 [0,2,0,1,0,0|1,0,0]=4 36208 B12R1.45 CCCCN[C@H]1CCC[C@H]1OC ac74391d859770163e002d69baa1fd4c [0,2,0,1,0,0|1,0,0]=4 36209 B12R1.45 CCCCN[C@H]1COC[C@@H]1OC 6cdbbb311ffc2e8442abde5b075e2e54 [0,2,0,1,0,0|1,0,0]=4 36210 B12R1.45 CCCCN[C@H]1COC[C@H]1OC 86824a90472b8c34958bd79f8183fb1a [0,2,0,1,0,0|1,0,0]=4 36211 B12R1.45 CCCCN[C@H]1CSC[C@@H]1CO 1fae799ef8b2abff9aaf368c52cc1965 [0,2,0,1,0,0|1,0,0]=4 36212 B12R1.45 CCCCOC1CCCC1C#N 355d5069f9f9fd4ee9a1515a64856280 [0,2,0,1,0,0|0,0,0]=3 36213 B12R1.45 CCCCO[C@@H]1CCC[C@H]1C#N c29c2f1ff4b681da83b17b0433ddf810 [0,2,0,1,0,0|0,0,0]=3 36214 B12R1.45 CCCNCC1CCCN1CC f5bc2b48a28577dde72bb80e00d2fa21 [0,2,0,1,0,0|1,0,0]=4 36215 B12R1.45 CCCNC[C@@H]1CCCN1CC 3d329421b41a00a8d1f632743724dbbc [0,2,0,1,0,0|1,0,0]=4 36216 B12R1.45 CCCNC[C@H]1CCCN1CC b1d3bcb9908428f646497f12a35be48f [0,2,0,1,0,0|1,0,0]=4 36217 B12R1.45 CCCOCC1CCCN1CC 6ea71b1b8c1b5c87fc7b2cd3ce3cd537 [0,2,0,1,0,0|1,0,0]=4 36218 B12R1.45 CCCOC[C@@H]1CCCN1CC a64c5c97260ed1e443860e433d06afe3 [0,2,0,1,0,0|1,0,0]=4 36219 B12R1.45 CCCOC[C@H]1CCCN1CC 5263cbf2d2cc841bfaedb89ab9660e24 [0,2,0,1,0,0|1,0,0]=4 36220 B12R1.45 CCOCCN1CCCC1CC a462efe8759621720ff6b15cb796805a [0,2,0,1,0,0|1,0,0]=4 36221 B12R1.45 CCOCCN1CCCC1CO 9d0c896564d1907992056e75119a0517 [0,2,0,1,0,0|1,0,0]=4 36222 B12R1.45 CCOCCN1CCCC1OC 3460d90fc2262eadc5103ed923c32180 [0,2,0,1,0,0|1,0,0]=4 36223 B12R1.45 CCOCCN1CCC[C@@H]1CF 847796586930640b551cc11a03890887 [0,2,0,1,0,0|1,0,0]=4 36224 B12R1.45 CCOCCN1CCC[C@@H]1CO 1eaead8198728711088c7463c006303f [0,2,0,1,0,0|1,0,0]=4 36225 B12R1.45 CCOCCN1CCC[C@H]1CC 68071dec785af66fd8448031d9eac3bf [0,2,0,1,0,0|1,0,0]=4 36226 B12R1.45 CCOCCN1CCC[C@H]1CF 6dd1a597af269c38265bbcfcd641888f [0,2,0,1,0,0|1,0,0]=4 36227 B12R1.45 CCOCCN1CCC[C@H]1CO 4be3ce6a9381d63a08bcac3d9d0ba53e [0,2,0,1,0,0|1,0,0]=4 36228 B12R1.45 CCOCNC1COCC1CO 88dad45682a0b9487900b1a206a93e59 [0,2,0,1,0,0|1,0,0]=4 36229 B12R1.45 CCOCNC1COCC1OC 84b3b108938b89e7cbe2f4d590d34d18 [0,2,0,1,0,0|1,0,0]=4 36230 B12R1.45 CCOCN[C@@H]1CCC[C@H]1CC ddb23eb341581177a17ae747b8bb075f [0,2,0,1,0,0|1,0,0]=4 36231 B12R1.45 CCOCN[C@@H]1COC[C@@H]1OC 6c7311907e87375777d588cb87c4efda [0,2,0,1,0,0|1,0,0]=4 36232 B12R1.45 CCOCN[C@@H]1COC[C@H]1CO e4e9ba59c089140e6c5e2548dd2479eb [0,2,0,1,0,0|1,0,0]=4 36233 B12R1.45 CCOCN[C@@H]1COC[C@H]1OC 5933cc5faa05ec36c554735bd2da6867 [0,2,0,1,0,0|1,0,0]=4 36234 B12R1.45 CCOCN[C@H]1COC[C@@H]1OC c3bfba2990b0239c4a47c7754e4e7501 [0,2,0,1,0,0|1,0,0]=4 36235 B12R1.45 CCOCN[C@H]1COC[C@H]1OC c870df9c3e59de5a879dd827be289dc3 [0,2,0,1,0,0|1,0,0]=4 36236 B12R1.45 CCOCOC1CCCC1C#N 2de0538416b6fbaa616d72b0c34ed1ad [0,2,0,1,0,0|1,0,0]=4 36237 B12R1.45 CCOCO[C@@H]1CCC[C@H]1C#N a1afd2ba20e678f80bb6108267cad2d6 [0,2,0,1,0,0|1,0,0]=4 36238 B12R1.45 CCSCCN1CCCC1CC d3bcaecdda688fcd6e82b7e81b5e5e91 [0,2,0,1,0,0|1,0,0]=4 36239 B12R1.45 CCSCCN1CCCC1CO d281c13d1d485ef157ec2e2bcbff14a7 [0,2,0,1,0,0|1,0,0]=4 36240 B12R1.45 CCSCCN1CCCC1OC 3ffcb932270bc89d81e24d0ef17d8048 [0,2,0,1,0,0|1,0,0]=4 36241 B12R1.45 CCSCCN1CCC[C@@H]1CF af002f411e26874cdde691fb24ad6e09 [0,2,0,1,0,0|1,0,0]=4 36242 B12R1.45 CCSCCN1CCC[C@@H]1CO e4e97e24d515871dbf3a84aa51191ca8 [0,2,0,1,0,0|1,0,0]=4 36243 B12R1.45 CCSCCN1CCC[C@H]1CC f501953c3b95f7ddc89ce0a4c58731c3 [0,2,0,1,0,0|1,0,0]=4 36244 B12R1.45 CCSCCN1CCC[C@H]1CF feca3de513a1dae0b90f3b8a7d316a27 [0,2,0,1,0,0|1,0,0]=4 36245 B12R1.45 CCSCCN1CCC[C@H]1CO 6d01e4f8051df00d7041c87a18f18a81 [0,2,0,1,0,0|1,0,0]=4 36246 B12R1.45 CC[C@@H]1CCCN1CCCCF 69c5cde0f560e5d0ed79b45d512c5c6a [0,2,0,1,0,0|1,0,0]=4 36247 B12R1.45 CC[C@@H]1CCCN1CCCCO 20b9d7005a95573f5945925de58af1d6 [0,2,0,1,0,0|1,0,0]=4 36248 B12R1.45 CC[C@@H]1CCCN1CCCOC b50aaa674ad8c16ac8077a174562c956 [0,2,0,1,0,0|1,0,0]=4 36249 B12R1.45 CC[C@@H]1CCCN1CCCSC e626f62ce5d10306df806f6d2e5e7296 [0,2,0,1,0,0|1,0,0]=4 36250 B12R1.45 CC[C@@H]1CCC[C@H]1NCCCF 04b9abeb777bfa2fdd99fbca441829ce [0,2,0,1,0,0|1,0,0]=4 36251 B12R1.45 CC[C@@H]1CCC[C@H]1NCCCO 49564aea2c75ce1e7b517d54484b82da [0,2,0,1,0,0|1,0,0]=4 36252 B12R1.45 CC[C@@H]1CCC[C@H]1NCCCS 62a213f2269cad6e7914df03e62a0478 [0,2,0,1,0,0|1,0,0]=4 36253 B12R1.45 CC[C@@H]1CCC[C@H]1NCCOC 1f19a8d07356fa9b0e067ddbe9976478 [0,2,0,1,0,0|1,0,0]=4 36254 B12R1.45 CC[C@@H]1CCC[C@H]1NCCSC da8e8ed15e8b5ca710fdafc6366148f6 [0,2,0,1,0,0|1,0,0]=4 36255 B12R1.45 COC1CCCN1CCCCF 805597ce884b8f8995827579cd2bd6e1 [0,2,0,1,0,0|1,0,0]=4 36256 B12R1.45 COC1CCCN1CCCCO 554fe1fae057faf277c2e3da09da21f7 [0,2,0,1,0,0|1,0,0]=4 36257 B12R1.45 COC1CCCN1CCCSC 5e5a42937d8f756b1feab87228175454 [0,2,0,1,0,0|1,0,0]=4 36258 B12R1.45 COC1COCC1NCCCF 2468f655edb5495e8503bd695baf9897 [0,2,0,1,0,0|1,0,0]=4 36259 B12R1.45 COC1COCC1NCCCO 31c8e38572f9a3a1f37b73512d14a3ff [0,2,0,1,0,0|1,0,0]=4 36260 B12R1.45 COC1COCC1NCCCS 82e1349a1fe2d1cc44581a7fc3898711 [0,2,0,1,0,0|1,0,0]=4 36261 B12R1.45 COC1COCC1NCCSC 17970a51630325c68bc365aeab0a5dc2 [0,2,0,1,0,0|1,0,0]=4 36262 B12R1.45 COCCCN1CCCC1CO ab60ac6f73bc27bc899828c4836ae145 [0,2,0,1,0,0|1,0,0]=4 36263 B12R1.45 COCCCN1CCCC1OC 008304e4a98421314734d5459b4775c1 [0,2,0,1,0,0|1,0,0]=4 36264 B12R1.45 COCCCN1CCC[C@@H]1CF 66a5c056e86c14cd2a5a546822d6152e [0,2,0,1,0,0|1,0,0]=4 36265 B12R1.45 COCCCN1CCC[C@@H]1CO ce79ee693a9d8fead370c7897c6e9be4 [0,2,0,1,0,0|1,0,0]=4 36266 B12R1.45 COCCCN1CCC[C@H]1CF cfeb11c1fdf2e5e338e7b1e2201667cd [0,2,0,1,0,0|1,0,0]=4 36267 B12R1.45 COCCCN1CCC[C@H]1CO 319915b6e8f2f66aa966a98b315e20e7 [0,2,0,1,0,0|1,0,0]=4 36268 B12R1.45 COCCNC1COCC1CO abaeb28a37f36d11c864a111c68f9151 [0,2,0,1,0,0|1,0,0]=4 36269 B12R1.45 COCCNC1COCC1OC 561f40b6fb7715124bae9fa7832d2f83 [0,2,0,1,0,0|1,0,0]=4 36270 B12R1.45 COCCN[C@@H]1COC[C@@H]1OC 6b9b7a90ae99cdffcc80dfcb7f0b5dec [0,2,0,1,0,0|1,0,0]=4 36271 B12R1.45 COCCN[C@@H]1COC[C@H]1CO 4ba1ab372beae76a6c7610be82df6b89 [0,2,0,1,0,0|1,0,0]=4 36272 B12R1.45 COCCN[C@@H]1COC[C@H]1OC 81ebe816f5342d43cb6c578402c632aa [0,2,0,1,0,0|1,0,0]=4 36273 B12R1.45 COCCN[C@H]1COC[C@@H]1OC 25502cacace21dc0c0f1e29dfd9589b6 [0,2,0,1,0,0|1,0,0]=4 36274 B12R1.45 COCCN[C@H]1COC[C@H]1OC 2babfc29a330c4cbdcb2f7c6631bb982 [0,2,0,1,0,0|1,0,0]=4 36275 B12R1.45 COCCOC1CCCC1C#N d2f1e1a93bb1c0e6a891be1a9fdd7ac2 [0,2,0,1,0,0|1,0,0]=4 36276 B12R1.45 COCCO[C@@H]1CCC[C@H]1C#N a38707a1385c493e7990bdbc7df23e42 [0,2,0,1,0,0|1,0,0]=4 36277 B12R1.45 CO[C@@H]1COC[C@@H]1NCCCF 926179df9ce0a2679a21e99312e00515 [0,2,0,1,0,0|1,0,0]=4 36278 B12R1.45 CO[C@@H]1COC[C@@H]1NCCCO bee6eec906a23016da0528d07dac2eed [0,2,0,1,0,0|1,0,0]=4 36279 B12R1.45 CO[C@@H]1COC[C@@H]1NCCCS 5244aa8d2a0484591b5741f3d853854b [0,2,0,1,0,0|1,0,0]=4 36280 B12R1.45 CO[C@@H]1COC[C@@H]1NCCSC d5dbd874f7ddca514a773672f9d146f5 [0,2,0,1,0,0|1,0,0]=4 36281 B12R1.45 CO[C@@H]1COC[C@H]1NCCCF 8a18cd6439b19ccc370093c8affb5a15 [0,2,0,1,0,0|1,0,0]=4 36282 B12R1.45 CO[C@@H]1COC[C@H]1NCCCO c45f35e5568d7e83c01241658ac1fb5d [0,2,0,1,0,0|1,0,0]=4 36283 B12R1.45 CO[C@@H]1COC[C@H]1NCCCS 77bcf947729cd1d5a7b70e56e35eaf64 [0,2,0,1,0,0|1,0,0]=4 36284 B12R1.45 CO[C@@H]1COC[C@H]1NCCSC 67fdfa8189ee78ec902fb8ec0beb8755 [0,2,0,1,0,0|1,0,0]=4 36285 B12R1.45 CO[C@H]1COC[C@@H]1NCCCF e5fdd77f652f18835002f06b70621fe7 [0,2,0,1,0,0|1,0,0]=4 36286 B12R1.45 CO[C@H]1COC[C@@H]1NCCCO 487cc4204f2f6dba908bdd82346f8fe0 [0,2,0,1,0,0|1,0,0]=4 36287 B12R1.45 CO[C@H]1COC[C@@H]1NCCCS c4f96860902810da9ae4bcb954b44c1c [0,2,0,1,0,0|1,0,0]=4 36288 B12R1.45 CO[C@H]1COC[C@@H]1NCCSC e47cf811ef1afc3b9789b09eea79e381 [0,2,0,1,0,0|1,0,0]=4 36289 B12R1.45 CO[C@H]1COC[C@H]1NCCCF 5c669903c0eff185e11382d56632ba80 [0,2,0,1,0,0|1,0,0]=4 36290 B12R1.45 CO[C@H]1COC[C@H]1NCCCO a7ac61a8adf636f831c7f994a658810e [0,2,0,1,0,0|1,0,0]=4 36291 B12R1.45 CO[C@H]1COC[C@H]1NCCCS 7a313304974ee8b37d35461da51807e0 [0,2,0,1,0,0|1,0,0]=4 36292 B12R1.45 CO[C@H]1COC[C@H]1NCCSC e470fa585de97aacaadfb184542fd28c [0,2,0,1,0,0|1,0,0]=4 36293 B12R1.45 CSCCCN1CCCC1CO 974a50c23ff4a2df054790344f2cd3ef [0,2,0,1,0,0|1,0,0]=4 36294 B12R1.45 CSCCCN1CCC[C@@H]1CF 2dbdd06cb4d43ad096bd3a5d4571130e [0,2,0,1,0,0|1,0,0]=4 36295 B12R1.45 CSCCCN1CCC[C@@H]1CO be50200a6cf4063127f011f9d5e63715 [0,2,0,1,0,0|1,0,0]=4 36296 B12R1.45 CSCCCN1CCC[C@H]1CF d01e753dee424f636ea5a3d6b46bae23 [0,2,0,1,0,0|1,0,0]=4 36297 B12R1.45 CSCCCN1CCC[C@H]1CO 8a99fdf0d2e70297762b986f6675b5ac [0,2,0,1,0,0|1,0,0]=4 36298 B12R1.45 CSCCNC1COCC1CO 0dbcd01f512447bcdb7dab7e16fa2347 [0,2,0,1,0,0|1,0,0]=4 36299 B12R1.45 CSCCN[C@@H]1COC[C@H]1CO bb72c71d640e7b33ab664a2c6999003b [0,2,0,1,0,0|1,0,0]=4 36300 B12R1.45 CSCCOC1CCCC1C#N 6276812ebe97c0a1ba47c32deaabb619 [0,2,0,1,0,0|1,0,0]=4 36301 B12R1.45 CSCCO[C@@H]1CCC[C@H]1C#N 50c01a973b8625b9986f0e9059c9ece9 [0,2,0,1,0,0|1,0,0]=4 36302 B12R1.45 FCCCCN1CCC[C@@H]1CF c351acc31a1d80e3dd351228c6a5fbee [0,2,0,1,0,0|1,0,0]=4 36303 B12R1.45 FCCCCN1CCC[C@H]1CF 40fc5377d493f8897dfd0935d7b55233 [0,2,0,1,0,0|1,0,0]=4 36304 B12R1.45 N#CC1CCCC1OCCCF cf2550f344a283a772511a9a0d3cd9a1 [0,2,0,1,0,0|1,0,0]=4 36305 B12R1.45 N#CC1CCCC1OCCCS 6b1d14d8098807539fb276d362da9731 [0,2,0,1,0,0|1,0,0]=4 36306 B12R1.45 N#C[C@@H]1CCC[C@H]1OCCCF 42117d5911e4c9fd78f049d227cadd3d [0,2,0,1,0,0|1,0,0]=4 36307 B12R1.45 N#C[C@@H]1CCC[C@H]1OCCCS 456101f638ec8f4b831054f4ec78499f [0,2,0,1,0,0|1,0,0]=4 36308 B12R1.45 OCC1CCCN1CCCCF 9fb254c400ef88bd0fdb3cf208349da2 [0,2,0,1,0,0|1,0,0]=4 36309 B12R1.45 OCC1COCC1NCCCF cb024e89b3e21bbc151acc7fbe2e27b1 [0,2,0,1,0,0|1,0,0]=4 36310 B12R1.45 OCC1COCC1NCCCS 60be2089d498aa0a9c20175086e74c94 [0,2,0,1,0,0|1,0,0]=4 36311 B12R1.45 OCCCCN1CCCC1CO d4df563de7550c64c24bffaef1d9311f [0,2,0,1,0,0|1,0,0]=4 36312 B12R1.45 OCCCCN1CCC[C@@H]1CF d40777d6f3cb76d51181f691ae3cc4b4 [0,2,0,1,0,0|1,0,0]=4 36313 B12R1.45 OCCCCN1CCC[C@@H]1CO a6f0fa01f30c51f7f2f43b1fe9f83799 [0,2,0,1,0,0|1,0,0]=4 36314 B12R1.45 OCCCCN1CCC[C@H]1CF ca13f2e53a75af5a6fc0040c997fc207 [0,2,0,1,0,0|1,0,0]=4 36315 B12R1.45 OCCCCN1CCC[C@H]1CO 3518049c172f9aee9723ccd33d1bec8a [0,2,0,1,0,0|1,0,0]=4 36316 B12R1.45 OCCCNC1COCC1CO 0dca2d92c145bcd08dd77cab4e8b347f [0,2,0,1,0,0|1,0,0]=4 36317 B12R1.45 OCCCN[C@@H]1COC[C@H]1CO 42a0af79ad79a97029f4a160fccf3596 [0,2,0,1,0,0|1,0,0]=4 36318 B12R1.45 OC[C@@H]1CCCN1CCCCF f1cab6a8db4e44869f46024914a55276 [0,2,0,1,0,0|1,0,0]=4 36319 B12R1.45 OC[C@@H]1COC[C@H]1NCCCF 1dadadc4f061080663714cfb9859bb4f [0,2,0,1,0,0|1,0,0]=4 36320 B12R1.45 OC[C@@H]1COC[C@H]1NCCCS 7f3e336678acf02c11bb46144d5f92a3 [0,2,0,1,0,0|1,0,0]=4 36321 B12R1.45 OC[C@H]1CCCN1CCCCF 9a54fe98e1b75875a0105464e0e7a786 [0,2,0,1,0,0|1,0,0]=4 36322 B12R1.72 C#CC(CCC)OC1CCCC1 f20289cfc070996b11a065fd8be8bef6 [0,2,0,1,0,0|0,0,0]=3 36323 B12R1.72 C#CC(CCC)OC1CCOC1 3597aea1826c331e1276c813407d8dc2 [0,2,0,1,0,0|1,0,0]=4 36324 B12R1.72 C#CC(CCC)O[C@@H]1CCOC1 404684c288a3a52216c9cc446326743c [0,2,0,1,0,0|1,0,0]=4 36325 B12R1.72 C#CC(CCC)O[C@H]1CCOC1 7ea21160d02f99945f867e2a24dc5134 [0,2,0,1,0,0|1,0,0]=4 36326 B12R1.72 C=CC(CCC)OC1CCCC1 aca979dfb9e2eaf9b3aca9667ca2db87 [0,2,0,1,0,0|0,0,0]=3 36327 B12R1.72 C=CC(CCC)OC1CCOC1 ef98f08aaedd63bad1c865d2d20daf6e [0,2,0,1,0,0|1,0,0]=4 36328 B12R1.72 C=CC(CCC)O[C@@H]1CCOC1 006fd268b97cac38d8986020625cf97f [0,2,0,1,0,0|1,0,0]=4 36329 B12R1.72 C=CC(CCC)O[C@H]1CCOC1 18b8979f8ee4280aa7197155fe35b360 [0,2,0,1,0,0|1,0,0]=4 36330 B12R1.72 CCC(COC)OC1CCCC1 31903f4270d9a4d283ee6d5a35bb8064 [0,2,0,1,0,0|1,0,0]=4 36331 B12R1.72 CCC(CSC)OC1CCCC1 904b67e507af2ed6261d4d2d57cde55c [0,2,0,1,0,0|1,0,0]=4 36332 B12R1.72 CCCC(C#N)OC1CCCC1 0bac07d76ad757639a2c8b02060e2449 [0,2,0,1,0,0|0,0,0]=3 36333 B12R1.72 CCCC(C#N)OC1CCOC1 b176f10b5258ba08a05f4f6b8e6cf76d [0,2,0,1,0,0|1,0,0]=4 36334 B12R1.72 CCCC(C#N)O[C@@H]1CCOC1 2e0346f414eae248859c12e949785c44 [0,2,0,1,0,0|1,0,0]=4 36335 B12R1.72 CCCC(C#N)O[C@H]1CCOC1 cb07d852f10f70ce479679a69a737213 [0,2,0,1,0,0|1,0,0]=4 36336 B12R1.72 CCCC(CC)NC1CCCC1 e8ba2ec144727c284b4d4a76af124d54 [0,2,0,1,0,0|1,0,0]=4 36337 B12R1.72 CCCC(CC)OC1CCCC1 164aacf9ee88b0f861e42359ddb13f0d [0,2,0,1,0,0|0,0,0]=3 36338 B12R1.72 CCCC(CC)OC1CCCO1 dfb175761e5d2a518c640a30e8bddee9 [0,2,0,1,0,0|1,0,0]=4 36339 B12R1.72 CCCC(CC)OC1CCOC1 fca4543df4b4411aa08a89bb631647d9 [0,2,0,1,0,0|1,0,0]=4 36340 B12R1.72 CCCC(CC)OC1CCSC1 92cec27127fb4db4d7bee71b1751363f [0,2,0,1,0,0|1,0,0]=4 36341 B12R1.72 CCCC(CC)O[C@@H]1CCOC1 45bbfc862bd9208300ca12f67efd294d [0,2,0,1,0,0|1,0,0]=4 36342 B12R1.72 CCCC(CC)O[C@@H]1CCSC1 936b6743a70bb9bbb79f7f84be2ceb74 [0,2,0,1,0,0|1,0,0]=4 36343 B12R1.72 CCCC(CC)O[C@H]1CCOC1 ec8c07d9fe6bd3ebab6ce974eaf8f383 [0,2,0,1,0,0|1,0,0]=4 36344 B12R1.72 CCCC(CC)O[C@H]1CCSC1 7e4ae58de3554d9de30e2228a429310d [0,2,0,1,0,0|1,0,0]=4 36345 B12R1.72 CCCC(CO)NC1CCCC1 81401c01064d2632bb107a00cdd4c754 [0,2,0,1,0,0|1,0,0]=4 36346 B12R1.72 CCC[C@@H](CC)OC1CCCC1 9e780a2bb42c134703ef4beb160abdc4 [0,2,0,1,0,0|0,0,0]=3 36347 B12R1.72 CCC[C@@H](CC)OC1CCOC1 4d4d1571d304a37cb9c5cc4d02521a86 [0,2,0,1,0,0|1,0,0]=4 36348 B12R1.72 CCC[C@@H](CC)O[C@@H]1CCOC1 f2e72ac8737a0fbbdb5af6debf3e2141 [0,2,0,1,0,0|1,0,0]=4 36349 B12R1.72 CCC[C@@H](CC)O[C@H]1CCOC1 e4d9c650f6d41ffcd031163b6d2b505c [0,2,0,1,0,0|1,0,0]=4 36350 B12R1.72 CCC[C@@H](CO)NC1CCCC1 cd78d245776687288613f335006062cb [0,2,0,1,0,0|1,0,0]=4 36351 B12R1.72 CCC[C@H](CO)NC1CCCC1 5104f8a97742085ea9aa484d53f5a061 [0,2,0,1,0,0|1,0,0]=4 36352 B12R1.72 ClCCC(CCl)OC1CCCC1 6ca1d69f4b39d647ca2ac2da04cec891 [0,2,0,1,0,0|1,0,0]=4 36353 B12R1.72 OCC[C@H](CO)OC1CCCC1 040557501ee5ba69d183f530a512d843 [0,2,0,1,0,0|1,0,0]=4 36354 B12R1.134 CCCC(CC)N1CCCC1C 81b21135a014ec1066b86754737b2aaf [0,2,0,1,0,0|1,0,0]=4 36355 B12R1.134 CCCC(CC)N1CCC[C@@H]1C 24a62b7e13f23385eb5ae259820f01fc [0,2,0,1,0,0|1,0,0]=4 36356 B12R1.134 CCCC(CC)N1CCC[C@H]1C 6eebc9944858a7d50b58f2c2547b5b8d [0,2,0,1,0,0|1,0,0]=4 36357 B12R1.135 CCCC(CC)N1CCC1CC f2063b87214508ed51c4d179b4bcc020 [0,2,0,1,0,0|1,0,0]=4 36358 B12R1.137 BrCCC(CBr)OCC1CCC1 85fc2bfeadfae1b3f8316c8d1d21025c [0,2,0,1,0,0|1,0,0]=4 36359 B12R1.137 C#CC(CCC)OCC1CCC1 0077afc3a49b2e99080151ffa347ca95 [0,2,0,1,0,0|0,0,0]=3 36360 B12R1.137 C#CC(CCC)OCC1CCO1 00f9a6a5d0b5ed3d9b48808452bb082b [0,2,0,1,0,0|1,0,0]=4 36361 B12R1.137 C#CC(CCC)OCC1COC1 9267545e6a274f55d38668ad4311f7e3 [0,2,0,1,0,0|1,0,0]=4 36362 B12R1.137 C#CC(CCC)OC[C@@H]1CCO1 1a681f5c7d353db067a75ccd7ac43503 [0,2,0,1,0,0|1,0,0]=4 36363 B12R1.137 C#CC(CCC)OC[C@H]1CCO1 01efa3680136e0af843b512f163f9555 [0,2,0,1,0,0|1,0,0]=4 36364 B12R1.137 C=CC(CCC)OCC1CCC1 63c9eb12b2baac244d434e4e62afb389 [0,2,0,1,0,0|0,0,0]=3 36365 B12R1.137 C=CC(CCC)OCC1CCO1 53dcdc4163ffbf3dc9ad19b146ff3b30 [0,2,0,1,0,0|1,0,0]=4 36366 B12R1.137 C=CC(CCC)OCC1COC1 da35d3fbf583ce9dc6c8cf11b2f28cb8 [0,2,0,1,0,0|1,0,0]=4 36367 B12R1.137 C=CC(CCC)OC[C@@H]1CCO1 65a212af3a1a7bd5ddf57e78694f419b [0,2,0,1,0,0|1,0,0]=4 36368 B12R1.137 C=CC(CCC)OC[C@H]1CCO1 516df3b37e09388c3587f13011815775 [0,2,0,1,0,0|1,0,0]=4 36369 B12R1.137 CCC(COC)OCC1CCC1 5ad02944e514d7a1ccbc1f9a72951cf5 [0,2,0,1,0,0|1,0,0]=4 36370 B12R1.137 CCC(CSC)OCC1CCC1 ca22727d8ed906c9964a809b8c5ee1b3 [0,2,0,1,0,0|1,0,0]=4 36371 B12R1.137 CCCC(C#N)OCC1CCC1 61baa29133868fd5dfb02b84383e7dbd [0,2,0,1,0,0|0,0,0]=3 36372 B12R1.137 CCCC(C#N)OCC1CCO1 8709d9c28d77a6d529c6e279b88d86a8 [0,2,0,1,0,0|1,0,0]=4 36373 B12R1.137 CCCC(C#N)OCC1COC1 b93cfb8973e4c071b6cd4bdf9aaf1323 [0,2,0,1,0,0|1,0,0]=4 36374 B12R1.137 CCCC(C#N)OC[C@@H]1CCO1 30e9e1b1f5264ebd6f0fd3cdec18a98b [0,2,0,1,0,0|1,0,0]=4 36375 B12R1.137 CCCC(C#N)OC[C@H]1CCO1 0c6dcb41f8dc5a2d64fbdba6b39945f4 [0,2,0,1,0,0|1,0,0]=4 36376 B12R1.137 CCCC(CC)COC1CCC1 565797aa63cb68761aa42eba984ff681 [0,2,0,1,0,0|0,0,0]=3 36377 B12R1.137 CCCC(CC)COC1COC1 c5cead4eea65628223b059474c54e665 [0,2,0,1,0,0|1,0,0]=4 36378 B12R1.137 CCCC(CC)NCC1CCC1 dc20440f8b47cdb9bd2e837ec0d446fe [0,2,0,1,0,0|1,0,0]=4 36379 B12R1.137 CCCC(CC)OCC1CCC1 72cea0bbe5751abab6a02d6c204ccc7f [0,2,0,1,0,0|0,0,0]=3 36380 B12R1.137 CCCC(CC)OCC1CCO1 982e88c669930d788ec8304c0596df46 [0,2,0,1,0,0|1,0,0]=4 36381 B12R1.137 CCCC(CC)OCC1COC1 08f693ad10a677643d99c9d43ece7691 [0,2,0,1,0,0|1,0,0]=4 36382 B12R1.137 CCCC(CC)OCC1CSC1 01bdadc1e131c59e3245507bb225cf43 [0,2,0,1,0,0|1,0,0]=4 36383 B12R1.137 CCCC(CC)OC[C@@H]1CCO1 649ae8f67923c631d1e9e1cc44b20b85 [0,2,0,1,0,0|1,0,0]=4 36384 B12R1.137 CCCC(CC)OC[C@H]1CCO1 92dd163158ee7a9a18b00156ceab39ee [0,2,0,1,0,0|1,0,0]=4 36385 B12R1.137 CCCC(CO)NCC1CCC1 a951ac8d93768706fae522007534fa55 [0,2,0,1,0,0|1,0,0]=4 36386 B12R1.137 CCC[C@@H](CC)OCC1CCC1 d9aad78da67af787438f9a4cfb3c9569 [0,2,0,1,0,0|0,0,0]=3 36387 B12R1.137 CCC[C@@H](CC)OCC1CCO1 34732b7dc9688d05544f839712108ccd [0,2,0,1,0,0|1,0,0]=4 36388 B12R1.137 CCC[C@@H](CC)OCC1COC1 3092b6ed6a192bb697d25aa44341e205 [0,2,0,1,0,0|1,0,0]=4 36389 B12R1.137 CCC[C@@H](CC)OC[C@@H]1CCO1 dab4c782eef7e49bab2b6046497c6dc6 [0,2,0,1,0,0|1,0,0]=4 36390 B12R1.137 CCC[C@@H](CC)OC[C@H]1CCO1 d3caf38f8ffc384cc603d750136f122d [0,2,0,1,0,0|1,0,0]=4 36391 B12R1.137 CCC[C@@H](CO)NCC1CCC1 4f1c2bf2d957471d79480b40c9c24050 [0,2,0,1,0,0|1,0,0]=4 36392 B12R1.137 CCC[C@H](CO)NCC1CCC1 8de00fdcaf3aec8544833011cc715625 [0,2,0,1,0,0|1,0,0]=4 36393 B12R1.137 CCOC(CC)COC1CCC1 ca51e66291a46364eaec65c343e31318 [0,2,0,1,0,0|1,0,0]=4 36394 B12R1.137 ClCCC(CCl)OCC1CCC1 a20d8636956abd57871317fb86af18db [0,2,0,1,0,0|1,0,0]=4 36395 B12R1.137 OCC[C@H](CO)OCC1CCC1 18b020051c46adb3a21fe78dc71296eb [0,2,0,1,0,0|1,0,0]=4 36396 B12R1.138 BrCCC(CBr)OCCC1CC1 84753a3b17f7e075873cc4a870dd78fd [0,2,0,1,0,0|1,0,0]=4 36397 B12R1.138 C#CC(CCC)OCCC1CC1 f6b29fc63e51c3b1fba078cf11a71688 [0,2,0,1,0,0|0,0,0]=3 36398 B12R1.138 C=CC(CCC)OCCC1CC1 955da773115527ff4f76dffba6137baa [0,2,0,1,0,0|0,0,0]=3 36399 B12R1.138 CCC(COC)OCCC1CC1 dad63cce375222e2a5fcb675c39dae90 [0,2,0,1,0,0|1,0,0]=4 36400 B12R1.138 CCC(CSC)OCCC1CC1 5ca217d4e6e34fcec1040159b110d0cf [0,2,0,1,0,0|1,0,0]=4 36401 B12R1.138 CCCC(C#N)OCCC1CC1 7400b036398f8c9bcb742a0cf3956d5c [0,2,0,1,0,0|0,0,0]=3 36402 B12R1.138 CCCC(CC)COCC1CC1 4ad232b90a3a4c9bb5f4098ffda7da26 [0,2,0,1,0,0|0,0,0]=3 36403 B12R1.138 CCCC(CC)NCCC1CC1 b4bb94562e31ad06a01fa74fe2f247dd [0,2,0,1,0,0|1,0,0]=4 36404 B12R1.138 CCCC(CC)OCCC1CC1 8bff325bf8f80eff11ae59fc2022f940 [0,2,0,1,0,0|0,0,0]=3 36405 B12R1.138 CCCC(CC)OCCN1CC1 56b6f3eab0f8e68904531c0bc7167736 [0,2,0,1,0,0|1,0,0]=4 36406 B12R1.138 CCCC(CO)NCCC1CC1 be62956ec0ee71c1ad32a13c6ba0e144 [0,2,0,1,0,0|1,0,0]=4 36407 B12R1.138 CCC[C@@H](CC)OCCC1CC1 7149b4abb32963075281921e7f60de44 [0,2,0,1,0,0|0,0,0]=3 36408 B12R1.138 CCC[C@@H](CO)NCCC1CC1 ffb11d7dcb25b3eb36f1e9ded0fe88a7 [0,2,0,1,0,0|1,0,0]=4 36409 B12R1.138 CCC[C@H](CO)NCCC1CC1 1805ddb0254888c8df591602bd9b343f [0,2,0,1,0,0|1,0,0]=4 36410 B12R1.138 CCOC(CC)COCC1CC1 197e27f3c4f9a1aa368a254ee4d1c56b [0,2,0,1,0,0|1,0,0]=4 36411 B12R1.138 ClCCC(CCl)OCCC1CC1 cf7ecdc15b24afcb96cb557bd111a7d5 [0,2,0,1,0,0|1,0,0]=4 36412 B12R1.138 OCC[C@H](CO)OCCC1CC1 bb7e58f687cc6ca6ec0676305f8e3a45 [0,2,0,1,0,0|1,0,0]=4 36413 B12R1.378 CCCCN1C[C@@H](C[C@@H]1C)OC fdeea1872a88d80caa3c931d6373177f [0,2,0,1,0,0|1,0,0]=4 36414 B12R1.378 CCCCN1C[C@@H](C[C@H]1C)OC e294fa6c5a5cb0145925c8ea878633bc [0,2,0,1,0,0|1,0,0]=4 36415 B12R1.378 CCCCN1C[C@H](C[C@@H]1C)OC fc8ca215167804c632cb7a6242ce1349 [0,2,0,1,0,0|1,0,0]=4 36416 B12R1.378 CCCCN1C[C@H](C[C@H]1C)OC cc641bd4c6f59f02d4ef23598bc09375 [0,2,0,1,0,0|1,0,0]=4 36417 B12R1.572 C#CC(NCCCCC)C1CC1 6eba93894da14a6905fc0ed06feb78a4 [0,2,0,1,0,0|1,0,0]=4 36418 B12R1.572 CCC(OCCCCF)C1CC1 c366e11d4a3d7746bc94ded88a9cf80d [0,2,0,1,0,0|1,0,0]=4 36419 B12R1.572 CCC(OCCCOC)C1CC1 b9c6f701ae8c22bacb933f9b583e61fa [0,2,0,1,0,0|1,0,0]=4 36420 B12R1.572 CCC(OCCCSC)C1CC1 bce2859b3f2e17290f5c6a8c2a13e8e4 [0,2,0,1,0,0|1,0,0]=4 36421 B12R1.572 CCCCCNC(C#N)C1CC1 a3fe9beb3c4bdd7cf31a78b1ebea1e1b [0,2,0,1,0,0|1,0,0]=4 36422 B12R1.572 CCCCCNC(CC)C1CC1 95330cb6bec4095c33c377b2e849feb0 [0,2,0,1,0,0|1,0,0]=4 36423 B12R1.572 CCCCCNC(CO)C1CC1 2f0543c2c6c3e4aa3a58356d41b81e8a [0,2,0,1,0,0|1,0,0]=4 36424 B12R1.572 CCCCCN[C@@H](CO)C1CC1 c1842be12d6c1d25ec734fc633fd2d56 [0,2,0,1,0,0|1,0,0]=4 36425 B12R1.572 CCCCCN[C@H](CO)C1CC1 2025728e7c03db65190ba89cbbf2e196 [0,2,0,1,0,0|1,0,0]=4 36426 B12R1.572 CCCCCOC(C#N)C1CC1 e3db4756cdf4cafa361002d19cee2348 [0,2,0,1,0,0|0,0,0]=3 36427 B12R1.572 CCCCCOC(CC)C1CC1 9e95999adf249fd9913cc833aaf9b89a [0,2,0,1,0,0|0,0,0]=3 36428 B12R1.572 CCCCOCN(CC)C1CC1 fb791f1759a490233b137206e67fd3c5 [0,2,0,1,0,0|1,0,0]=4 36429 B12R1.572 CCOCCOC(C#N)C1CC1 5cb0e18f26a193a1aeaecddf457998ee [0,2,0,1,0,0|1,0,0]=4 36430 B12R1.572 CCOCCOC(CC)C1CC1 425df918f4de8be7e16b72932e2ab0bd [0,2,0,1,0,0|1,0,0]=4 36431 B12R1.572 CCSCCOC(C#N)C1CC1 7fd9fb2ed3338dece3e38ca3affccaf5 [0,2,0,1,0,0|1,0,0]=4 36432 B12R1.572 CCSCCOC(CC)C1CC1 8bf3c13b9e778b788c808d847ffe8fdd [0,2,0,1,0,0|1,0,0]=4 36433 B12R1.572 COCCCOC(C#N)C1CC1 76e6d680df8720c3fa279738bff77194 [0,2,0,1,0,0|1,0,0]=4 36434 B12R1.572 CSCCCOC(C#N)C1CC1 fe2fe3d696895cab2acf5c0f7b237fc6 [0,2,0,1,0,0|1,0,0]=4 36435 B12R1.572 N#CC(OCCCCF)C1CC1 43458f04af892e2fee1019b016b25e39 [0,2,0,1,0,0|1,0,0]=4 36436 B12R1.572 N#CC(OCCCCS)C1CC1 901fae30777b312149b48c22498162c5 [0,2,0,1,0,0|1,0,0]=4 36437 B12R1.610 CC1CC1CO[C@@H](CO)CCO 8108654bfd108f927c793cbb4c081fd0 [0,2,0,1,0,0|1,0,0]=4 36438 B12R1.610 CCCC(CC)OCC1CC1C 2d47dfeee8e092898fe6ef254f1fb353 [0,2,0,1,0,0|0,0,0]=3 36439 B12R1.610 CCCC(CC)OC[C@@H]1C[C@@H]1C 225212f081ef9d65eff330d75ffdb8b8 [0,2,0,1,0,0|0,0,0]=3 36440 B12R1.610 CCCC(CC)OC[C@@H]1C[C@@H]1F b05ad59a23463178a072ebd71a1abb76 [0,2,0,1,0,0|1,0,0]=4 36441 B12R1.610 CCCC(CC)OC[C@@H]1C[C@H]1C 2ab200e06545cd95a72e10c7e579366a [0,2,0,1,0,0|0,0,0]=3 36442 B12R1.610 CCCC(CC)OC[C@@H]1C[C@H]1F d9a5a0134da5e60103507dab405b51f0 [0,2,0,1,0,0|1,0,0]=4 36443 B12R1.610 CCCC(CC)OC[C@H]1C[C@@H]1C 3378770c50743fa034d1fe5997bcce6f [0,2,0,1,0,0|0,0,0]=3 36444 B12R1.610 CCCC(CC)OC[C@H]1C[C@@H]1F 0e75c605a0773d0d3fef5554d84ea5aa [0,2,0,1,0,0|1,0,0]=4 36445 B12R1.610 CCCC(CC)OC[C@H]1C[C@H]1F a627e4d0acfdc056e839963bcd61e723 [0,2,0,1,0,0|1,0,0]=4 36446 B12R1.610 C[C@@H]1C[C@H]1CO[C@@H](CO)CCO 92be32f8f368ad210b9671a36063b8fe [0,2,0,1,0,0|1,0,0]=4 36447 B12R1.610 C[C@H]1C[C@@H]1CO[C@@H](CO)CCO 7d5f90ac9cad17fbab2f0ca38376a561 [0,2,0,1,0,0|1,0,0]=4 36448 B12R1.610 C[C@H]1C[C@H]1CO[C@@H](CO)CCO 458607b67b2964fb8624f05739a65c30 [0,2,0,1,0,0|1,0,0]=4 36449 B12R1.965 C#CC1(CCC1)NCCCCC f6ae757afe090ed6a21cce1c89504565 [0,2,0,1,0,0|1,0,0]=4 36450 B12R1.965 CCCCCNC1(CCC1)C#N dabe8f81d7bd6e7637a527f015aa5659 [0,2,0,1,0,0|1,0,0]=4 36451 B12R1.965 CCCCCNC1(CCC1)CC e2da54bf60cb6c8394af558f8956bf18 [0,2,0,1,0,0|1,0,0]=4 36452 B12R1.965 CCCCCNC1(CCC1)CO 921d7f8f258143cc330de950798c25da [0,2,0,1,0,0|1,0,0]=4 36453 B12R1.965 CCCCNCC1(CCC1)C#N 7e708dd2697db36e183158147ec6d342 [0,2,0,1,0,0|1,0,0]=4 36454 B12R1.965 CCCCNCC1(CCC1)CC 575cae03fb258b0ee6c32eca8dced681 [0,2,0,1,0,0|1,0,0]=4 36455 B12R1.965 CCCCNCC1(CCC1)CO a5b033d2f42fd4af3259c6a616d78bd4 [0,2,0,1,0,0|1,0,0]=4 36456 B12R1.965 CCCCNCC1(CCC1)OC 6ca8fad764c7f96f97887bcea83cc4c1 [0,2,0,1,0,0|1,0,0]=4 36457 B12R1.965 CCCCOCC1(CCC1)C#N cf48f840ff72296e056c4acb7070f9ca [0,2,0,1,0,0|0,0,0]=3 36458 B12R1.965 CCCCOCC1(CCC1)OC 9c1d274894deb9be79e463a3bb6f39fe [0,2,0,1,0,0|0,0,0]=3 36459 B12R1.965 CCCCOCC1(CCO1)CC ad9954872e063eb21a50cd8cde967921 [0,2,0,1,0,0|1,0,0]=4 36460 B12R1.965 CCCCOCC1(COC1)C#N 3423d04264a25780ba2873c58db4a11c [0,2,0,1,0,0|1,0,0]=4 36461 B12R1.965 CCCCOCC1(COC1)C=O 6164e4c9add063b6bf0ffc6bec69df1d [0,2,0,1,0,0|1,0,0]=4 36462 B12R1.965 CCCCOCC1(COC1)CC acc55d0ab731b2020029f9c3fc3fde93 [0,2,0,1,0,0|1,0,0]=4 36463 B12R1.965 CCCCOCC1(COC1)CF 6a225845eff69f620805befbf78bcff6 [0,2,0,1,0,0|1,0,0]=4 36464 B12R1.965 CCCCOCC1(COC1)OC 7f074c0ba60bd68a9c77ce30ae046e9a [0,2,0,1,0,0|1,0,0]=4 36465 B12R1.965 CCOCOCC1(CCC1)C#N 3529f6b72b242905eb0990c66c667bc4 [0,2,0,1,0,0|1,0,0]=4 36466 B12R1.965 CCOCOCC1(CCC1)OC b7f8c4a21126506ea4cf6a996d5ed3f3 [0,2,0,1,0,0|1,0,0]=4 36467 B12R1.965 COC1(CCC1)COCCCF fcd9352f71f1fbee72bac6f9de037350 [0,2,0,1,0,0|1,0,0]=4 36468 B12R1.965 COC1(CCC1)COCCCS cfac426896069cc03d22a10101ce1cbb [0,2,0,1,0,0|1,0,0]=4 36469 B12R1.965 COC1(CCC1)COCCSC 65d897a680c51e54b983a403700c3533 [0,2,0,1,0,0|1,0,0]=4 36470 B12R1.965 COCCOCC1(CCC1)C#N fd13afed0234bde3b863e740d1aac51a [0,2,0,1,0,0|1,0,0]=4 36471 B12R1.965 COCCOCC1(CCC1)OC 5e97107761991c72058fde30456ca4ba [0,2,0,1,0,0|1,0,0]=4 36472 B12R1.965 CSCCOCC1(CCC1)C#N fcd3f7a248154cf07d9b4982b1940ac2 [0,2,0,1,0,0|1,0,0]=4 36473 B12R1.965 N#CC1(CCC1)COCCCF be654c0e5e674190efaf37aa087a504a [0,2,0,1,0,0|1,0,0]=4 36474 B12R1.965 N#CC1(CCC1)COCCCS aced51759c5bc73b2976e13def3ce4a9 [0,2,0,1,0,0|1,0,0]=4 36475 B12R1.972 CCCCCNC1(CC1)CCC 4718584641bf883117fe88c29743eb1d [0,2,0,1,0,0|1,0,0]=4 36476 B12R1.972 CCCCCOC1(CC1)OCC 6234a34b2c8a68dad6c250241399f82c [0,2,0,1,0,0|1,0,0]=4 36477 B12R1.972 CCCCOCC1(CC1)COC 387c7a348c920ef66a353542d55cc284 [0,2,0,1,0,0|1,0,0]=4 36478 B12R1.2061 CCCC(CC)N[C@@H]1CC[C@H]1C f4871b9acf007f17785413c27f14dd4e [0,2,0,1,0,0|1,0,0]=4 36479 B12R1.2061 CCCC(CC)N[C@H]1CC[C@H]1C 9bcdfc1be0fb4420dd141ec9d12d819b [0,2,0,1,0,0|1,0,0]=4 36480 B12R1.2061 CCCC(CC)OC1COC1C 59e232b26d7be36cee8c0edd8502dca9 [0,2,0,1,0,0|1,0,0]=4 36481 B12R1.16 CCCC(C)N1CCC(CC1)C 18e9a5e4b5a45b6f51f06444029fed73 [0,2,0,1,0,0|1,0,0]=4 36482 B12R1.16 CCCC(C)N1CCC(CC1)Cl c78979b467f312e794f873f49a31f7dd [0,2,0,1,0,0|1,0,0]=4 36483 B12R1.16 CCCC(C)N1CCC(CC1)I efe1ac5925e86ddd4c53349241e88245 [0,2,0,1,0,0|1,0,0]=4 36484 B12R1.16 CCCC(C)N1CCC(CC1)O c170f5eb623a344fe7108f08e148c17e [0,2,0,1,0,0|1,0,0]=4 36485 B12R1.50 CCC(C)CN1CCCC(C1)C 9b7895b84716dd2a59a808e9bd09255f [0,2,0,1,0,0|1,0,0]=4 36486 B12R1.50 CCC(C)CN1CCCC(C1)F 85da4d89a936898146f681a0fdf3921c [0,2,0,1,0,0|1,0,0]=4 36487 B12R1.50 CCC(C)CN1CCCC(C1)O 18444487e4aa218a56e96cfc370a0085 [0,2,0,1,0,0|1,0,0]=4 36488 B12R1.50 CCC(C)CN1CCC[C@@H](C1)C 6eebb8052bd88f222c5eb1dcbc6774c6 [0,2,0,1,0,0|1,0,0]=4 36489 B12R1.50 CCC(C)CN1CCC[C@@H](C1)F 51b3f33fbd09cfb525af4aa6e9398120 [0,2,0,1,0,0|1,0,0]=4 36490 B12R1.50 CCC(C)CN1CCC[C@@H](C1)O 14fcc560330e645c7cb15a274084b4dd [0,2,0,1,0,0|1,0,0]=4 36491 B12R1.50 CCC(C)CN1CCC[C@H](C1)C 20fa6a749bb17a0e09cac4aabcbcc42f [0,2,0,1,0,0|1,0,0]=4 36492 B12R1.50 CCC(C)CN1CCC[C@H](C1)F 9892de6db32eefc65048a2225c06e6af [0,2,0,1,0,0|1,0,0]=4 36493 B12R1.50 CCC(C)CN1CCC[C@H](C1)O 1dbb276f7cc14f1844377effc1963fe3 [0,2,0,1,0,0|1,0,0]=4 36494 B12R1.50 CCC(O)CN1CCCC(C1)C c667599ecb88fd5ae7347b96b8491312 [0,2,0,1,0,0|1,0,0]=4 36495 B12R1.50 CCC(O)CN1CCCC(C1)F a398d75314f53b2f0ff365e77fa6b0ea [0,2,0,1,0,0|1,0,0]=4 36496 B12R1.50 CCC(O)CN1CCCC(C1)O bad3ff5f60de81c243dafc870cdfc3f2 [0,2,0,1,0,0|1,0,0]=4 36497 B12R1.50 CCC(O)CN1CCC[C@@H](C1)C 2614c89ed6e67939c94dd6d8322d03ac [0,2,0,1,0,0|1,0,0]=4 36498 B12R1.50 CCC(O)CN1CCC[C@@H](C1)F 98abe8234d3c55206bb20fedc7cbeba9 [0,2,0,1,0,0|1,0,0]=4 36499 B12R1.50 CCC(O)CN1CCC[C@@H](C1)O 712c4f4d8b9d0d034077945b066a81e4 [0,2,0,1,0,0|1,0,0]=4 36500 B12R1.50 CCC(O)CN1CCC[C@H](C1)C 0fe22c36b1597f3569033050ed3cc05b [0,2,0,1,0,0|1,0,0]=4 36501 B12R1.50 CCC(O)CN1CCC[C@H](C1)F a61c82fc47e4cfc95ea2799746b533e6 [0,2,0,1,0,0|1,0,0]=4 36502 B12R1.50 CCC(O)CN1CCC[C@H](C1)O a4f97ae407cfb5b99ff62301ddaefca5 [0,2,0,1,0,0|1,0,0]=4 36503 B12R1.50 CC[C@@H](C)CN1CCCC(C1)C 465f96e149565e887eb71da47b288a98 [0,2,0,1,0,0|1,0,0]=4 36504 B12R1.50 CC[C@@H](C)CN1CCCC(C1)F bd67edc01f8fefaa358b702f9fcedd8a [0,2,0,1,0,0|1,0,0]=4 36505 B12R1.50 CC[C@@H](C)CN1CCCC(C1)O d3930eb00d9df717aea2dddccca1b7bb [0,2,0,1,0,0|1,0,0]=4 36506 B12R1.50 CC[C@@H](C)CN1CCC[C@@H](C1)C 27d4790ce4db91ca20fea5be890a2ccf [0,2,0,1,0,0|1,0,0]=4 36507 B12R1.50 CC[C@@H](C)CN1CCC[C@@H](C1)F d78ba7a73127350496897719d63da480 [0,2,0,1,0,0|1,0,0]=4 36508 B12R1.50 CC[C@@H](C)CN1CCC[C@@H](C1)O a90506d8f44a63232d22932d990caa1e [0,2,0,1,0,0|1,0,0]=4 36509 B12R1.50 CC[C@@H](C)CN1CCC[C@H](C1)C 35672bd96e02c250f5531c42d639dcf6 [0,2,0,1,0,0|1,0,0]=4 36510 B12R1.50 CC[C@@H](C)CN1CCC[C@H](C1)F e7721811f254057ab97e7ef33798be97 [0,2,0,1,0,0|1,0,0]=4 36511 B12R1.50 CC[C@@H](C)CN1CCC[C@H](C1)O 8ef819011fb4f2b14111df3443d75ee1 [0,2,0,1,0,0|1,0,0]=4 36512 B12R1.50 CC[C@H](C)CN1CCCC(C1)C e3ce0ef7f8c37a06a6f98ff84c2f7aa9 [0,2,0,1,0,0|1,0,0]=4 36513 B12R1.50 CC[C@H](C)CN1CCCC(C1)F 742f9b37642e61528c0caa591dee4050 [0,2,0,1,0,0|1,0,0]=4 36514 B12R1.50 CC[C@H](C)CN1CCCC(C1)O 9f0e8f4cabccbcf48b2dbb9c4e5503a3 [0,2,0,1,0,0|1,0,0]=4 36515 B12R1.50 CC[C@H](C)CN1CCC[C@@H](C1)C ae991c885041811275d88f5e8f95cd3d [0,2,0,1,0,0|1,0,0]=4 36516 B12R1.50 CC[C@H](C)CN1CCC[C@@H](C1)F 71c502e9375f472ce1a7d920a0d86db1 [0,2,0,1,0,0|1,0,0]=4 36517 B12R1.50 CC[C@H](C)CN1CCC[C@@H](C1)O 29318b6683337d72b44f2bb69dc4fc86 [0,2,0,1,0,0|1,0,0]=4 36518 B12R1.50 CC[C@H](C)CN1CCC[C@H](C1)C f9d625692d9cddc962d973ae3cf05c5e [0,2,0,1,0,0|1,0,0]=4 36519 B12R1.50 CC[C@H](C)CN1CCC[C@H](C1)F 6e3a06f4983d44475d894b2613f6cba4 [0,2,0,1,0,0|1,0,0]=4 36520 B12R1.50 CC[C@H](C)CN1CCC[C@H](C1)O 2e1282c7342710295fb3aedd4cbded08 [0,2,0,1,0,0|1,0,0]=4 36521 B12R1.157 CCC(C)CN[C@H]1C[C@@H]1COC 2f516451fab277020ed19e4992117d16 [0,2,0,1,0,0|1,0,0]=4 36522 B12R1.157 CCC(C)CN[C@H]1C[C@H]1COC 2cffa790a3eec7b8acf05e31dda776cc [0,2,0,1,0,0|1,0,0]=4 36523 B12R1.157 CCC(O)CN[C@H]1C[C@@H]1COC 10f443532861f935e107158858fb1935 [0,2,0,1,0,0|1,0,0]=4 36524 B12R1.157 CCC(O)CN[C@H]1C[C@H]1COC b7f2470b3841f3a85e7db955c22a3a40 [0,2,0,1,0,0|1,0,0]=4 36525 B12R1.157 CC[C@@H](C)CN[C@H]1C[C@@H]1COC eea1802227b5e9b4b61775ebbbb6c5f8 [0,2,0,1,0,0|1,0,0]=4 36526 B12R1.157 CC[C@@H](C)CN[C@H]1C[C@H]1COC bf22429a148a4ff9b226f8ad07e55827 [0,2,0,1,0,0|1,0,0]=4 36527 B12R1.157 CC[C@H](C)CN[C@H]1C[C@@H]1COC f3c65eab0c254f086a3a06c8b66a0586 [0,2,0,1,0,0|1,0,0]=4 36528 B12R1.157 CC[C@H](C)CN[C@H]1C[C@H]1COC 9cac5e0b5c5da119446d23c7b9d0d51f [0,2,0,1,0,0|1,0,0]=4 36529 B12R1.177 CCCC1CN(C1)CC(C)CC 668ea5f767f7b9ee4d7c1038785707d7 [0,2,0,1,0,0|1,0,0]=4 36530 B12R1.177 CCCC1CN(C1)CC(O)CC 6975c6170815b4905f4d5f7c8197bc69 [0,2,0,1,0,0|1,0,0]=4 36531 B12R1.177 CCCC1CN(C1)C[C@@H](C)CC e73211a01e5b5f6297007dfb476a1c6b [0,2,0,1,0,0|1,0,0]=4 36532 B12R1.177 CCCC1CN(C1)C[C@H](C)CC 28385a48faa732d969371e8f1eddfcc8 [0,2,0,1,0,0|1,0,0]=4 36533 B12R1.353 C#CC(C)OCC1OCCC1C b6c87623f0d2b452f5115ca8d22a5e48 [0,2,0,1,0,0|1,0,0]=4 36534 B12R1.353 C=C(CC)COC1CCCC1C 9e91c33b38bde7fb9607216c761888ac [0,2,0,1,0,0|0,0,1]=4 36535 B12R1.353 C=C(CC)COC1COCC1C d0e4e83dad3b4a0ee8eaaf93c7bc7575 [0,2,0,1,0,0|0,0,1]=4 36536 B12R1.353 C=C(CC)CO[C@@H]1CCC[C@@H]1C c89197184db25a182a489742acaa81b2 [0,2,0,1,0,0|0,0,1]=4 36537 B12R1.353 C=C(CC)CO[C@@H]1CCC[C@H]1C 970cfaf03aa78073a7965af5f545023a [0,2,0,1,0,0|0,0,1]=4 36538 B12R1.353 C=C(CC)CO[C@@H]1CCC[C@H]1F 9ca148babeb91b86dfc174b945e42807 [0,2,0,1,0,0|0,0,1]=4 36539 B12R1.353 C=C(CC)CO[C@@H]1COC[C@@H]1C 67ab9bf1af92fc5033065b321998fa2d [0,2,0,1,0,0|0,0,1]=4 36540 B12R1.353 C=C(CC)CO[C@H]1CCC[C@@H]1C 48588536bd2f010550891ed32d1b96a3 [0,2,0,1,0,0|0,0,1]=4 36541 B12R1.353 C=C(CC)CO[C@H]1CCC[C@H]1C dab2104a59590e9722fd30bf5d9a85ad [0,2,0,1,0,0|0,0,1]=4 36542 B12R1.353 C=C(CC)CO[C@H]1COC[C@@H]1C 9f871c9a06ce22372019df625983eaad [0,2,0,1,0,0|0,0,1]=4 36543 B12R1.353 C=C(CC)CO[C@H]1COC[C@H]1C b33dad214a92aef2a8fbe76063b0b983 [0,2,0,1,0,0|0,0,1]=4 36544 B12R1.353 C=CC(C)OCC1OCCC1C 0928ab990b5edc23c6fa7f76e2cce2bd [0,2,0,1,0,0|1,0,0]=4 36545 B12R1.353 CC(C#N)OCC1OCCC1C abbb972fa2792084c111c5babb569331 [0,2,0,1,0,0|1,0,0]=4 36546 B12R1.353 CC(C=O)OCC1OCCC1C ddc353711fef559b7d349d7ac15cc5a2 [0,2,0,1,0,0|1,0,0]=4 36547 B12R1.353 CC(CO)CCN1CCCC1C 7a3c20a8c190457a68919b8109375357 [0,2,0,1,0,0|1,0,0]=4 36548 B12R1.353 CC(CO)CCN1CCC[C@@H]1C 2582c697a3ae6a34277617778e1c015d [0,2,0,1,0,0|1,0,0]=4 36549 B12R1.353 CC(CO)CCN1CCC[C@H]1C 5b14922b1debc384726f3d0ccb8c149c [0,2,0,1,0,0|1,0,0]=4 36550 B12R1.353 CC1CCCC1OCC(O)CO e3d2d593f0bf0aeb889f8509da578130 [0,2,0,1,0,0|1,0,0]=4 36551 B12R1.353 CC1CCCC1OC[C@@H](O)CO 8e8185490b64d497f6e3914223b4d5c9 [0,2,0,1,0,0|1,0,0]=4 36552 B12R1.353 CC1CCCC1OC[C@H](O)CO 16b9023713257d90aa64928e0cb72f52 [0,2,0,1,0,0|1,0,0]=4 36553 B12R1.353 CC1CCOC1CO[C@H](C)C=O d014e000f015e77be4ffe4884957882d [0,2,0,1,0,0|1,0,0]=4 36554 B12R1.353 CC1COCC1OCC(O)CO 88a6b2a28d355666952e932d9369eed8 [0,2,0,1,0,0|1,0,0]=4 36555 B12R1.353 CC1COCC1OC[C@@H](O)CO c51970bd457baa6a334e07ac11f14ae8 [0,2,0,1,0,0|1,0,0]=4 36556 B12R1.353 CC1COCC1OC[C@H](O)CO a0101fa791f500e6f74a1867fa73547b [0,2,0,1,0,0|1,0,0]=4 36557 B12R1.353 CCC(=O)COC1CCCC1C 86ab1d0a96237a58d9951a7df77f1d96 [0,2,0,1,0,0|0,0,1]=4 36558 B12R1.353 CCC(=O)COC1COCC1C 0cb5fe02b34c253464db76ebc93dca7a [0,2,0,1,0,0|0,0,1]=4 36559 B12R1.353 CCC(=O)CO[C@@H]1CCC[C@@H]1C 0b478ff0a3e5f4f2333350271987a78f [0,2,0,1,0,0|0,0,1]=4 36560 B12R1.353 CCC(=O)CO[C@@H]1CCC[C@H]1C 900a89e389d5dc2474c4c9a1e816c40c [0,2,0,1,0,0|0,0,1]=4 36561 B12R1.353 CCC(=O)CO[C@@H]1CCC[C@H]1F a7b1db8846a1096698dc26e66040d49f [0,2,0,1,0,0|0,0,1]=4 36562 B12R1.353 CCC(=O)CO[C@@H]1COC[C@@H]1C ab4f972f887024d4e2ab5887d7a6db1d [0,2,0,1,0,0|0,0,1]=4 36563 B12R1.353 CCC(=O)CO[C@H]1CCC[C@@H]1C ed4203b528da59cb5c5af891f6a2d6e7 [0,2,0,1,0,0|0,0,1]=4 36564 B12R1.353 CCC(=O)CO[C@H]1CCC[C@H]1C 10ee2c8d249454ec529953b400846820 [0,2,0,1,0,0|0,0,1]=4 36565 B12R1.353 CCC(=O)CO[C@H]1COC[C@@H]1C 60aa4489259a14a27299789279d00eff [0,2,0,1,0,0|0,0,1]=4 36566 B12R1.353 CCC(=O)CO[C@H]1COC[C@H]1C 402e8e5a8e698539091f801c4b891df5 [0,2,0,1,0,0|0,0,1]=4 36567 B12R1.353 CCC(C)CCN1CCCC1C cfdecddf9df97e042152984032af98ef [0,2,0,1,0,0|1,0,0]=4 36568 B12R1.353 CCC(C)CCN1CCCC1O 7f6608d737aae2302005d945909f5025 [0,2,0,1,0,0|1,0,0]=4 36569 B12R1.353 CCC(C)CCN1CCC[C@@H]1C b6287b0c9f3578e46c5958a33d2237c6 [0,2,0,1,0,0|1,0,0]=4 36570 B12R1.353 CCC(C)CCN1CCC[C@H]1C da51ebea0e4c9bf03e51745302951e6a [0,2,0,1,0,0|1,0,0]=4 36571 B12R1.353 CCC(C)CCN1CCSC1C b1a394afbad23f32faa5c15ab74dc039 [0,2,0,1,0,0|1,0,0]=4 36572 B12R1.353 CCC(C)CNC1CCCC1O ead39822e4b20377853bab8a3b087d84 [0,2,0,1,0,0|1,0,0]=4 36573 B12R1.353 CCC(C)CN[C@@H]1CCC[C@@H]1O 7026de3bca9b23d9e60e0d7e901fd055 [0,2,0,1,0,0|1,0,0]=4 36574 B12R1.353 CCC(C)CN[C@@H]1CCC[C@H]1O e6dbfc07b86795716638f3c35fb3f0f9 [0,2,0,1,0,0|1,0,0]=4 36575 B12R1.353 CCC(C)CN[C@H]1CCC[C@@H]1O 34884f98e97ce112f4614ffd3f441832 [0,2,0,1,0,0|1,0,0]=4 36576 B12R1.353 CCC(C)CN[C@H]1CCC[C@H]1O 58e750cf8ff0be35c50cec8733dd1222 [0,2,0,1,0,0|1,0,0]=4 36577 B12R1.353 CCC(C)COC1CCCC1=O 0a0d0b2981db4721fb14b3b8892c5d8e [0,2,0,1,0,0|0,0,1]=4 36578 B12R1.353 CCC(C)COC1CCCC1C 368f56934de00eac409422e79f57931a [0,2,0,1,0,0|0,0,0]=3 36579 B12R1.353 CCC(C)COC1COCC1C 22ff8b6e184e5b8290f7b3dc6e3d070f [0,2,0,1,0,0|0,0,0]=3 36580 B12R1.353 CCC(C)COC1COCC1F 562f6f4260aeb843b7f77edd570a9d44 [0,2,0,1,0,0|1,0,0]=4 36581 B12R1.353 CCC(C)CO[C@@H]1CCC[C@@H]1C d70792097a1cce3cac76265180c7ac30 [0,2,0,1,0,0|0,0,0]=3 36582 B12R1.353 CCC(C)CO[C@@H]1CCC[C@H]1C f9dc86407fde37c7479054bdc661a55f [0,2,0,1,0,0|0,0,0]=3 36583 B12R1.353 CCC(C)CO[C@@H]1CCC[C@H]1F a82d5bea602e3eef2832d3319dfefc57 [0,2,0,1,0,0|0,0,0]=3 36584 B12R1.353 CCC(C)CO[C@@H]1COC[C@@H]1C 3eefa70d340a5a35ad172aa778aae27a [0,2,0,1,0,0|0,0,0]=3 36585 B12R1.353 CCC(C)CO[C@@H]1COC[C@H]1F 9214855ef4c07031ee7aa2a0cab1232d [0,2,0,1,0,0|1,0,0]=4 36586 B12R1.353 CCC(C)CO[C@H]1CCC[C@@H]1C 98296ac0e5108e0ef1da01613ab91124 [0,2,0,1,0,0|0,0,0]=3 36587 B12R1.353 CCC(C)CO[C@H]1CCC[C@H]1C 7f57322da876b2bdad20757ff6dd2ca2 [0,2,0,1,0,0|0,0,0]=3 36588 B12R1.353 CCC(C)CO[C@H]1COC[C@@H]1C 48eaab19dfa1a8fa28aadc0b33a4dc92 [0,2,0,1,0,0|0,0,0]=3 36589 B12R1.353 CCC(C)CO[C@H]1COC[C@H]1C 84328ed62fbd9294ebfb7463c949358a [0,2,0,1,0,0|0,0,0]=3 36590 B12R1.353 CCC(C)CO[C@H]1COC[C@H]1F 61dd2a409afd3ffe5f3d227f293254b0 [0,2,0,1,0,0|1,0,0]=4 36591 B12R1.353 CCC(C)OCC1CCCC1C 420bb18f4ba0731d821cc7078ed3f53d [0,2,0,1,0,0|1,0,0]=4 36592 B12R1.353 CCC(C)OCC1OCCC1C d0ef56d94e3ff4922c657795ab20cff6 [0,2,0,1,0,0|0,0,0]=3 36593 B12R1.353 CCC(O)CNC1CCCC1O 7036403f860b6bfa3dc901c5b533703c [0,2,0,1,0,0|1,0,0]=4 36594 B12R1.353 CCC(O)CN[C@@H]1CCC[C@@H]1O 2deefeb77e868995faa7b2368f427e5b [0,2,0,1,0,0|1,0,0]=4 36595 B12R1.353 CCC(O)CN[C@@H]1CCC[C@H]1O 30a9a8d7cf3c6c070b6ae38b0008a47e [0,2,0,1,0,0|1,0,0]=4 36596 B12R1.353 CCC(O)CN[C@H]1CCC[C@@H]1O 40a56b05762703b3038eb861b2a61598 [0,2,0,1,0,0|1,0,0]=4 36597 B12R1.353 CCC(O)CN[C@H]1CCC[C@H]1O 312177c8b93099b624efe9ea87d97f4f [0,2,0,1,0,0|1,0,0]=4 36598 B12R1.353 CCS(=O)CCN1CCCC1C 13d90002667d9c9b377c8e74c215722a [0,2,0,1,0,0|1,0,0]=4 36599 B12R1.353 CCS(=O)CCN1CCC[C@@H]1C 819759cf0f1af8c510977d5baaf163b3 [0,2,0,1,0,0|1,0,0]=4 36600 B12R1.353 CCS(=O)CCN1CCC[C@H]1C 080c05aba9db22b1953b9365181ad2b2 [0,2,0,1,0,0|1,0,0]=4 36601 B12R1.353 CC[C@@H](C)CNC1CCCC1O 6810580844d427b63a3212c3816ffb30 [0,2,0,1,0,0|1,0,0]=4 36602 B12R1.353 CC[C@@H](C)CN[C@@H]1CCC[C@@H]1O bb35465816937bc9399c5489fc336ad3 [0,2,0,1,0,0|1,0,0]=4 36603 B12R1.353 CC[C@@H](C)CN[C@@H]1CCC[C@H]1O 982ae0ecba8908509b5294f5639f4acc [0,2,0,1,0,0|1,0,0]=4 36604 B12R1.353 CC[C@@H](C)CN[C@H]1CCC[C@@H]1O 306958ce1d312412eef9df91ffa62375 [0,2,0,1,0,0|1,0,0]=4 36605 B12R1.353 CC[C@@H](C)CN[C@H]1CCC[C@H]1O 8c749062fef6fbb5a098799b36e6c2ad [0,2,0,1,0,0|1,0,0]=4 36606 B12R1.353 CC[C@@H](C)COC1CCCC1=O 371e7aab76d875c526fba0ee4936de0f [0,2,0,1,0,0|0,0,1]=4 36607 B12R1.353 CC[C@@H](C)COC1CCCC1C 70ffcad7535bcfbe984b234c0a1a942a [0,2,0,1,0,0|0,0,0]=3 36608 B12R1.353 CC[C@@H](C)COC1COCC1C 12397320b8acecf145aeeeffc1e763cd [0,2,0,1,0,0|0,0,0]=3 36609 B12R1.353 CC[C@@H](C)COC1COCC1F 334bbef350c22d18138ce446fae581d2 [0,2,0,1,0,0|1,0,0]=4 36610 B12R1.353 CC[C@@H](C)CO[C@@H]1CCC[C@@H]1C c194b1764a3c9ff280d7ab80b02111a8 [0,2,0,1,0,0|0,0,0]=3 36611 B12R1.353 CC[C@@H](C)CO[C@@H]1CCC[C@H]1C 3fd3030ff1d609c392734f053a8cf938 [0,2,0,1,0,0|0,0,0]=3 36612 B12R1.353 CC[C@@H](C)CO[C@@H]1CCC[C@H]1F 878789e653c1bb9326e9bf9531bf65fc [0,2,0,1,0,0|0,0,0]=3 36613 B12R1.353 CC[C@@H](C)CO[C@@H]1COC[C@@H]1C 154f7d2d1f6e08a5a58275cf93565b0a [0,2,0,1,0,0|0,0,0]=3 36614 B12R1.353 CC[C@@H](C)CO[C@@H]1COC[C@H]1F 8f674e717c11d137292e4b08f7c85877 [0,2,0,1,0,0|1,0,0]=4 36615 B12R1.353 CC[C@@H](C)CO[C@H]1CCC[C@@H]1C ebd6e7ac067d478de31dec011dbcebaa [0,2,0,1,0,0|0,0,0]=3 36616 B12R1.353 CC[C@@H](C)CO[C@H]1CCC[C@H]1C d909ebaf57939f17e3528df59fae3913 [0,2,0,1,0,0|0,0,0]=3 36617 B12R1.353 CC[C@@H](C)CO[C@H]1COC[C@@H]1C 1eda975431e291d2eb5f3a9005e5c3ec [0,2,0,1,0,0|0,0,0]=3 36618 B12R1.353 CC[C@@H](C)CO[C@H]1COC[C@H]1C 8e9aaf2fb078f6b5493c92bb0cc9702c [0,2,0,1,0,0|0,0,0]=3 36619 B12R1.353 CC[C@@H](C)CO[C@H]1COC[C@H]1F f5fc9e74e63b94671f04ea99fb854dc1 [0,2,0,1,0,0|1,0,0]=4 36620 B12R1.353 CC[C@@H](O)CNC1CCCC1O c4813e1d652948b1b8acd1d33d8fea4f [0,2,0,1,0,0|1,0,0]=4 36621 B12R1.353 CC[C@@H](O)CN[C@@H]1CCC[C@H]1O 7c6a0c493ef6d6b14869e5c441622026 [0,2,0,1,0,0|1,0,0]=4 36622 B12R1.353 CC[C@@H](O)CN[C@H]1CCC[C@@H]1O 276400deb050822bb5e083e9ea26e92f [0,2,0,1,0,0|1,0,0]=4 36623 B12R1.353 CC[C@H](C)CNC1CCCC1O 566c41bba42c4ea44ebf5c29e0f14dc6 [0,2,0,1,0,0|1,0,0]=4 36624 B12R1.353 CC[C@H](C)CN[C@@H]1CCC[C@@H]1O ca5e509a12f7dced097704b50eed3dcb [0,2,0,1,0,0|1,0,0]=4 36625 B12R1.353 CC[C@H](C)CN[C@@H]1CCC[C@H]1O a147d28cd6fa4ad87dbd16835b77ae36 [0,2,0,1,0,0|1,0,0]=4 36626 B12R1.353 CC[C@H](C)CN[C@H]1CCC[C@@H]1O 1c9aed73b02121eb603a62fa4238ea10 [0,2,0,1,0,0|1,0,0]=4 36627 B12R1.353 CC[C@H](C)CN[C@H]1CCC[C@H]1O fe7d3a1f0cc9427eee47fabcefa449dc [0,2,0,1,0,0|1,0,0]=4 36628 B12R1.353 CC[C@H](C)COC1CCCC1=O 80aa56aa5f0675be923955aeb6d67edb [0,2,0,1,0,0|0,0,1]=4 36629 B12R1.353 CC[C@H](C)COC1CCCC1C ff2f6a6e78aaaffb0e08627cc76fbb05 [0,2,0,1,0,0|0,0,0]=3 36630 B12R1.353 CC[C@H](C)COC1COCC1C cccda6bfa2083ccdf6d56e7b66c0ee90 [0,2,0,1,0,0|0,0,0]=3 36631 B12R1.353 CC[C@H](C)COC1COCC1F 7ffcc3f8d33b224c1efa08bd24265b6e [0,2,0,1,0,0|1,0,0]=4 36632 B12R1.353 CC[C@H](C)CO[C@@H]1CCC[C@@H]1C 4a5360b0b4bb235dfddf086f77923603 [0,2,0,1,0,0|0,0,0]=3 36633 B12R1.353 CC[C@H](C)CO[C@@H]1CCC[C@H]1C bfda052f1583650ee7f765ec8ab804a4 [0,2,0,1,0,0|0,0,0]=3 36634 B12R1.353 CC[C@H](C)CO[C@@H]1CCC[C@H]1F 28a111dd4240998a580fcdafc668bbca [0,2,0,1,0,0|0,0,0]=3 36635 B12R1.353 CC[C@H](C)CO[C@@H]1COC[C@@H]1C 61ef82a13935d60de88ef940b07e2494 [0,2,0,1,0,0|0,0,0]=3 36636 B12R1.353 CC[C@H](C)CO[C@@H]1COC[C@H]1F b9f9877d477fffdc5b25a05452d0a068 [0,2,0,1,0,0|1,0,0]=4 36637 B12R1.353 CC[C@H](C)CO[C@H]1CCC[C@@H]1C cab3385f91f96e5ffc02726087796ff1 [0,2,0,1,0,0|0,0,0]=3 36638 B12R1.353 CC[C@H](C)CO[C@H]1CCC[C@H]1C bfa14e2c397689d91d6dc92219eb754d [0,2,0,1,0,0|0,0,0]=3 36639 B12R1.353 CC[C@H](C)CO[C@H]1COC[C@@H]1C 98fdcbe38d8efc13af33e7386ec72f84 [0,2,0,1,0,0|0,0,0]=3 36640 B12R1.353 CC[C@H](C)CO[C@H]1COC[C@H]1C 17887a6122d509485839ee4261d1fec6 [0,2,0,1,0,0|0,0,0]=3 36641 B12R1.353 CC[C@H](C)CO[C@H]1COC[C@H]1F b8779b69233487cae8c504afa44a2c68 [0,2,0,1,0,0|1,0,0]=4 36642 B12R1.353 COC(C)COC1CCCC1C 492af3728dd649545d31a6ad02381e6f [0,2,0,1,0,0|1,0,0]=4 36643 B12R1.353 COC(C)COC1COCC1C df753a6e5ea205915ce938f16d0ca2c9 [0,2,0,1,0,0|1,0,0]=4 36644 B12R1.353 COC(C)CO[C@@H]1CCC[C@@H]1C 79ceef3f2fdf35ce00bf73d6764548eb [0,2,0,1,0,0|1,0,0]=4 36645 B12R1.353 COC(C)CO[C@@H]1CCC[C@H]1C c1043a148947fac52b0af994c97e9e07 [0,2,0,1,0,0|1,0,0]=4 36646 B12R1.353 COC(C)CO[C@@H]1CCC[C@H]1F 2ca957b9a95a169d566d652192bf8f92 [0,2,0,1,0,0|1,0,0]=4 36647 B12R1.353 COC(C)CO[C@@H]1COC[C@@H]1C a45d2337181f08c88d9576327d8c22a0 [0,2,0,1,0,0|1,0,0]=4 36648 B12R1.353 COC(C)CO[C@H]1CCC[C@@H]1C 783a4503353c6ebedf98c1b63f420760 [0,2,0,1,0,0|1,0,0]=4 36649 B12R1.353 COC(C)CO[C@H]1CCC[C@H]1C bb367278d17e33fc2bf9fd9fbc1e9447 [0,2,0,1,0,0|1,0,0]=4 36650 B12R1.353 COC(C)CO[C@H]1COC[C@@H]1C 0cbcef228314673ef3831b2f69225f85 [0,2,0,1,0,0|1,0,0]=4 36651 B12R1.353 COC(C)CO[C@H]1COC[C@H]1C 04129e5ff45c9d5048e2f7183fe9c007 [0,2,0,1,0,0|1,0,0]=4 36652 B12R1.353 CO[C@@H](C)COC1CCCC1C ebbd436561f657cd3f768b275cce4e25 [0,2,0,1,0,0|1,0,0]=4 36653 B12R1.353 CO[C@@H](C)COC1COCC1C 6d43476eb8ebbe66f62e381a5675b420 [0,2,0,1,0,0|1,0,0]=4 36654 B12R1.353 CO[C@@H](C)CO[C@@H]1CCC[C@@H]1C 1094fb3d4db58dd991c83505adf65d31 [0,2,0,1,0,0|1,0,0]=4 36655 B12R1.353 CO[C@@H](C)CO[C@@H]1CCC[C@H]1C 2dae9f645c59ae103269a94c15e621c1 [0,2,0,1,0,0|1,0,0]=4 36656 B12R1.353 CO[C@@H](C)CO[C@@H]1CCC[C@H]1F bd83f462ac4f9518bbb1c62235b63da4 [0,2,0,1,0,0|1,0,0]=4 36657 B12R1.353 CO[C@@H](C)CO[C@@H]1COC[C@@H]1C 7e325b66132a8f6faa6c9949c28486fe [0,2,0,1,0,0|1,0,0]=4 36658 B12R1.353 CO[C@@H](C)CO[C@H]1CCC[C@@H]1C 2dd49cfbb80b42ff38231d3965a360d0 [0,2,0,1,0,0|1,0,0]=4 36659 B12R1.353 CO[C@@H](C)CO[C@H]1CCC[C@H]1C bdf486f3c1480d79f78409d56f15ccb3 [0,2,0,1,0,0|1,0,0]=4 36660 B12R1.353 CO[C@@H](C)CO[C@H]1COC[C@@H]1C ac040c553b1953e1bdf9027b27bbe479 [0,2,0,1,0,0|1,0,0]=4 36661 B12R1.353 CO[C@@H](C)CO[C@H]1COC[C@H]1C 9b94630ada126e03638512ca13156485 [0,2,0,1,0,0|1,0,0]=4 36662 B12R1.353 CO[C@H](C)COC1CCCC1C b132536a7832cb8237cd3577a0ed360d [0,2,0,1,0,0|1,0,0]=4 36663 B12R1.353 CO[C@H](C)COC1COCC1C 9cd4346bfebeae72a09dfa66a15153e4 [0,2,0,1,0,0|1,0,0]=4 36664 B12R1.353 CO[C@H](C)CO[C@@H]1CCC[C@@H]1C a53b2c46dee4db681b1d5b41e20d269b [0,2,0,1,0,0|1,0,0]=4 36665 B12R1.353 CO[C@H](C)CO[C@@H]1CCC[C@H]1C 4b6104419001fcf837df88b4aba2e9a6 [0,2,0,1,0,0|1,0,0]=4 36666 B12R1.353 CO[C@H](C)CO[C@@H]1CCC[C@H]1F ab5d50d21804e7e4042d4d2766241af5 [0,2,0,1,0,0|1,0,0]=4 36667 B12R1.353 CO[C@H](C)CO[C@@H]1COC[C@@H]1C ac1a2de708092463b5169b0445e4d4b8 [0,2,0,1,0,0|1,0,0]=4 36668 B12R1.353 CO[C@H](C)CO[C@H]1CCC[C@@H]1C 93fc717258c102f2ce8dde52fd31fdd4 [0,2,0,1,0,0|1,0,0]=4 36669 B12R1.353 CO[C@H](C)CO[C@H]1CCC[C@H]1C ad52b4cfba2c2b933b1e9d64f2f79e3b [0,2,0,1,0,0|1,0,0]=4 36670 B12R1.353 CO[C@H](C)CO[C@H]1COC[C@@H]1C 51dd2c85167a5e23fd9c5e2cc1e4f487 [0,2,0,1,0,0|1,0,0]=4 36671 B12R1.353 CO[C@H](C)CO[C@H]1COC[C@H]1C e0ac0d5812ac68cdfd6097f9d5da43a0 [0,2,0,1,0,0|1,0,0]=4 36672 B12R1.353 C[C@@H]1CCC[C@@H]1OCC(O)CO be5fec4a99957756f6b83075a4f22a0b [0,2,0,1,0,0|1,0,0]=4 36673 B12R1.353 C[C@@H]1CCC[C@@H]1OC[C@@H](O)CO e0f4a2f5c4660db467bb71cb2425f937 [0,2,0,1,0,0|1,0,0]=4 36674 B12R1.353 C[C@@H]1CCC[C@@H]1OC[C@H](O)CO 069c781e6b00ff9ad524f4cc5bcc602a [0,2,0,1,0,0|1,0,0]=4 36675 B12R1.353 C[C@@H]1CCC[C@H]1OCC(O)CO 902f7b025c1c7515d5c4a15a99305281 [0,2,0,1,0,0|1,0,0]=4 36676 B12R1.353 C[C@@H]1CCC[C@H]1OC[C@@H](O)CO c9eedc6b6b3ffc74e8060a13876f28dc [0,2,0,1,0,0|1,0,0]=4 36677 B12R1.353 C[C@@H]1CCC[C@H]1OC[C@H](O)CO 08df3cadec4b6797820352e2ba67fbfd [0,2,0,1,0,0|1,0,0]=4 36678 B12R1.353 C[C@@H]1COC[C@@H]1OCC(O)CO 63ce6c72713e138a4d0f9248e23045fa [0,2,0,1,0,0|1,0,0]=4 36679 B12R1.353 C[C@@H]1COC[C@@H]1OC[C@@H](O)CO e05b05244e9522453dfeae6056ed3fb0 [0,2,0,1,0,0|1,0,0]=4 36680 B12R1.353 C[C@@H]1COC[C@@H]1OC[C@H](O)CO 425011eb879b55483578343311905e0a [0,2,0,1,0,0|1,0,0]=4 36681 B12R1.353 C[C@H]1CCC[C@@H]1OCC(O)CO 122a0b4f5c542dcc172d2eb483f382bb [0,2,0,1,0,0|1,0,0]=4 36682 B12R1.353 C[C@H]1CCC[C@@H]1OC[C@@H](O)CO 6d2e8cc3cad259fb43dbfce77324e7f1 [0,2,0,1,0,0|1,0,0]=4 36683 B12R1.353 C[C@H]1CCC[C@@H]1OC[C@H](O)CO d447412590fcc33726b16f71302b2846 [0,2,0,1,0,0|1,0,0]=4 36684 B12R1.353 C[C@H]1CCC[C@H]1OCC(O)CO ceea85563ce9db29ffe6e4dfef8db9c4 [0,2,0,1,0,0|1,0,0]=4 36685 B12R1.353 C[C@H]1CCC[C@H]1OC[C@@H](O)CO 3ac8d795c037e395c60f98d913e36cfa [0,2,0,1,0,0|1,0,0]=4 36686 B12R1.353 C[C@H]1CCC[C@H]1OC[C@H](O)CO 6aabb6ad359a0b004d26d7f65a6c8c3b [0,2,0,1,0,0|1,0,0]=4 36687 B12R1.353 C[C@H]1COC[C@@H]1OCC(O)CO 58cc825bdb4131c346739632f5da0559 [0,2,0,1,0,0|1,0,0]=4 36688 B12R1.353 C[C@H]1COC[C@@H]1OC[C@@H](O)CO b0bd880793ee79698f28014136dc548e [0,2,0,1,0,0|1,0,0]=4 36689 B12R1.353 C[C@H]1COC[C@@H]1OC[C@H](O)CO 7b46cf03434a9486cbfbfd8d63f1bf8c [0,2,0,1,0,0|1,0,0]=4 36690 B12R1.353 C[C@H]1COC[C@H]1OCC(O)CO c8bdaaa39af3545f747be18ee0f51ddc [0,2,0,1,0,0|1,0,0]=4 36691 B12R1.353 C[C@H]1COC[C@H]1OC[C@@H](O)CO 3d72e49d7a156b734432dc947fa1a83d [0,2,0,1,0,0|1,0,0]=4 36692 B12R1.353 C[C@H]1COC[C@H]1OC[C@H](O)CO 6bf6756a3021640e1880ec650b174619 [0,2,0,1,0,0|1,0,0]=4 36693 B12R1.353 OCC(O)CO[C@@H]1CCC[C@H]1F ccd72c6a4a62bc79655a66bd8c2b9d3c [0,2,0,1,0,0|1,0,0]=4 36694 B12R1.353 OC[C@@H](O)CO[C@@H]1CCC[C@H]1F 787647db6c4dfe37a348a828d35efa18 [0,2,0,1,0,0|1,0,0]=4 36695 B12R1.353 OC[C@H](O)CO[C@@H]1CCC[C@H]1F 4d4fa257d906750e17766787e932514c [0,2,0,1,0,0|1,0,0]=4 36696 B12R1.394 C=C(CC)COCC1CC(C1)C adb4630757be7d5238a744374507a117 [0,2,0,1,0,0|0,0,1]=4 36697 B12R1.394 C=C(CC)COCC1CC(C1)F d68334b0b4e792b107804ae885dd0af3 [0,2,0,1,0,0|0,0,1]=4 36698 B12R1.394 C=C(CC)COC[C@H]1C[C@@H](C1)C ff23da993013a873a22d6e5c8d08d3b5 [0,2,0,1,0,0|0,0,1]=4 36699 B12R1.394 C=C1CC(C1)COCC(C)CC 1f4914abfaaa85f5b584df63cc05ac7a [0,2,0,1,0,0|0,0,1]=4 36700 B12R1.394 C=C1CC(C1)COC[C@@H](C)CC 37a335d3cc5fbab285c1869966b68a04 [0,2,0,1,0,0|0,0,1]=4 36701 B12R1.394 C=C1CC(C1)COC[C@H](C)CC cedede01b8c7651e1bb0bfdc0b2ad580 [0,2,0,1,0,0|0,0,1]=4 36702 B12R1.394 CC1CC(C1)COCC(Br)CBr 9312f0b271f71da9fe72bae851d45cfa [0,2,0,1,0,0|1,0,0]=4 36703 B12R1.394 CC1CC(C1)COCC(Cl)CCl a56b346b62484eae9000848d62124a2c [0,2,0,1,0,0|1,0,0]=4 36704 B12R1.394 CC1CC(C1)COCC(O)CO bb009d67f41261187c8f7fd76714f3b7 [0,2,0,1,0,0|1,0,0]=4 36705 B12R1.394 CC1CC(C1)COCC(S)CS 3f286377cbd1de2191c1e801af256727 [0,2,0,1,0,0|1,0,0]=4 36706 B12R1.394 CC1CC(C1)COC[C@@H](O)CO 375078e2cb23cd6a502ca00476a06207 [0,2,0,1,0,0|1,0,0]=4 36707 B12R1.394 CC1CC(C1)COC[C@H](O)CO 5ebcf633e07166dbd2aa47d69f2a7a53 [0,2,0,1,0,0|1,0,0]=4 36708 B12R1.394 CCC(=O)COCC1CC(C1)C 4d41f1106e2e1f3f093a9513fbba68f8 [0,2,0,1,0,0|0,0,1]=4 36709 B12R1.394 CCC(=O)COCC1CC(C1)F 049a230e5021ae952c744bdf34c7eb19 [0,2,0,1,0,0|0,0,1]=4 36710 B12R1.394 CCC(=O)COC[C@H]1C[C@@H](C1)C fa28577654de8660842f68b2743dc981 [0,2,0,1,0,0|0,0,1]=4 36711 B12R1.394 CCC(=O)COC[C@H]1C[C@H](C1)F 292bb9e5f5833ce35f43870fad7d290e [0,2,0,1,0,0|0,0,1]=4 36712 B12R1.394 CCC(C)CCNC1CC(C1)F 24e8773f7d345e0171e800af0e3c8373 [0,2,0,1,0,0|1,0,0]=4 36713 B12R1.394 CCC(C)CCNC1CC(C1)O d94a751ac4b24a68f748453d355c9710 [0,2,0,1,0,0|1,0,0]=4 36714 B12R1.394 CCC(C)CCN[C@H]1C[C@@H](C1)F 4847a350a7cd4b0bc902ac1837c26e35 [0,2,0,1,0,0|1,0,0]=4 36715 B12R1.394 CCC(C)CCN[C@H]1C[C@@H](C1)O b9c1241ca06591f04d41a48a5196af57 [0,2,0,1,0,0|1,0,0]=4 36716 B12R1.394 CCC(C)CCN[C@H]1C[C@H](C1)F 2e0f0ceccf21b4fc1abd5c93d251e10b [0,2,0,1,0,0|1,0,0]=4 36717 B12R1.394 CCC(C)CCN[C@H]1C[C@H](C1)O 1b1bf221d11dc2a806feba9d8cc5214b [0,2,0,1,0,0|1,0,0]=4 36718 B12R1.394 CCC(C)CCOC1CC(=O)C1 bbb7838b118db5d98cdbbc50ee8c1fec [0,2,0,1,0,0|0,0,1]=4 36719 B12R1.394 CCC(C)CCOC1CC(C1)C ef3122f8368f0451f38c4b39fe3cda0c [0,2,0,1,0,0|0,0,0]=3 36720 B12R1.394 CCC(C)CCOC1CC(C1)F 98cf4ba8d27e0265b1a527b6a6478fa6 [0,2,0,1,0,0|0,0,0]=3 36721 B12R1.394 CCC(C)CCOC1CN(C1)C 9ea13edb47950cd41530a1f4027366f3 [0,2,0,1,0,0|1,0,0]=4 36722 B12R1.394 CCC(C)CCO[C@H]1C[C@@H](C1)F b08ac9dd23e19e9c042bacdabc083612 [0,2,0,1,0,0|0,0,0]=3 36723 B12R1.394 CCC(C)CCO[C@H]1C[C@H](C1)F 17e5a6d9f0c9c931dd75ca8580a24dd9 [0,2,0,1,0,0|0,0,0]=3 36724 B12R1.394 CCC(C)CNCC1CC(C1)C 7ffe3aa8798cc9ede884f46137ae010a [0,2,0,1,0,0|1,0,0]=4 36725 B12R1.394 CCC(C)CNCC1CC(C1)O b5ef84468a7b45fe96be4bcbb4a29a81 [0,2,0,1,0,0|1,0,0]=4 36726 B12R1.394 CCC(C)CNC[C@H]1C[C@@H](C1)O 91d75ac1a49d1aa0642a4c9ab0327f47 [0,2,0,1,0,0|1,0,0]=4 36727 B12R1.394 CCC(C)CNC[C@H]1C[C@H](C1)F a823762503e5cacaf5e63f72366e0ddd [0,2,0,1,0,0|1,0,0]=4 36728 B12R1.394 CCC(C)CNC[C@H]1C[C@H](C1)O b03a4533b04e7e8695fb94b7a354f7aa [0,2,0,1,0,0|1,0,0]=4 36729 B12R1.394 CCC(C)COCC1CC(=O)C1 7e51ff2a7c5b1b8531bf1944978f48fe [0,2,0,1,0,0|0,0,1]=4 36730 B12R1.394 CCC(C)COCC1CC(C1)C 071cc71adbee8cf3967252cc51290d42 [0,2,0,1,0,0|0,0,0]=3 36731 B12R1.394 CCC(C)COCC1CC(C1)F e73df89357c1dca4aeb8bb582151a2db [0,2,0,1,0,0|0,0,0]=3 36732 B12R1.394 CCC(C)COCC1CN(C1)C 02541c99d2195f11b034175dd6c014cb [0,2,0,1,0,0|1,0,0]=4 36733 B12R1.394 CCC(C)COC[C@H]1C[C@@H](C1)C 831faeec60fd30976b913ec4aa195567 [0,2,0,1,0,0|0,0,0]=3 36734 B12R1.394 CCC(C)COC[C@H]1C[C@H](C1)F 9b4e812daeea2cc5bd66813eac8c30cf [0,2,0,1,0,0|0,0,0]=3 36735 B12R1.394 CCC(O)CNCC1CC(C1)C 91652ab01fcca39dff5fe36bbeaee1ee [0,2,0,1,0,0|1,0,0]=4 36736 B12R1.394 CCC(O)CNCC1CC(C1)O e23e04f8aa78e0239aa366a232f65988 [0,2,0,1,0,0|1,0,0]=4 36737 B12R1.394 CCC(O)CNC[C@H]1C[C@@H](C1)O dd0edaba583fd3bab729a5acfa3f7200 [0,2,0,1,0,0|1,0,0]=4 36738 B12R1.394 CCC(O)CNC[C@H]1C[C@H](C1)F 03888be3a189dbc51e15f70544558273 [0,2,0,1,0,0|1,0,0]=4 36739 B12R1.394 CCC(O)CNC[C@H]1C[C@H](C1)O 6f3522460b89857f40f405d1091cc7c1 [0,2,0,1,0,0|1,0,0]=4 36740 B12R1.394 CCC(S)CCOC1CC(=O)C1 01ba1fb5fa16decc8b5a121c61f808de [0,2,0,1,0,0|0,0,1]=4 36741 B12R1.394 CCS(=O)CCOC1CC(C1)C bd033383f685be0b9b70ec62f6fb5127 [0,2,0,1,0,0|1,0,0]=4 36742 B12R1.394 CCS(=O)CCOC1CC(C1)F 27ffe267beefc6535c07153667f60783 [0,2,0,1,0,0|1,0,0]=4 36743 B12R1.394 CCS(=O)CCO[C@H]1C[C@@H](C1)F 78cda2e2525c92061fd2335d490ba9e9 [0,2,0,1,0,0|1,0,0]=4 36744 B12R1.394 CCS(=O)CCO[C@H]1C[C@H](C1)F 1c6e43c92d78b2faa936b65f56f27095 [0,2,0,1,0,0|1,0,0]=4 36745 B12R1.394 CC[C@@H](C)CNCC1CC(C1)O ea74f47e7f7f845a17744a5c0a084a51 [0,2,0,1,0,0|1,0,0]=4 36746 B12R1.394 CC[C@@H](C)CNC[C@H]1C[C@@H](C1)O 8dc8ec20e7e579aa0edb8b9d2ed97c61 [0,2,0,1,0,0|1,0,0]=4 36747 B12R1.394 CC[C@@H](C)CNC[C@H]1C[C@H](C1)O f519c7012f094ad05eb764abc008f401 [0,2,0,1,0,0|1,0,0]=4 36748 B12R1.394 CC[C@@H](C)COCC1CC(=O)C1 d4235257c8367065b1d740b0c959b6b2 [0,2,0,1,0,0|0,0,1]=4 36749 B12R1.394 CC[C@@H](C)COCC1CC(C1)C 960bc3955e6fcef400f6087f95739686 [0,2,0,1,0,0|0,0,0]=3 36750 B12R1.394 CC[C@@H](C)COCC1CC(C1)F 06726384abe5adc2eb1cf367349bebe5 [0,2,0,1,0,0|0,0,0]=3 36751 B12R1.394 CC[C@@H](C)COCC1CN(C1)C 74795d85b5a087144096d3bf95d4e400 [0,2,0,1,0,0|1,0,0]=4 36752 B12R1.394 CC[C@@H](C)COC[C@H]1C[C@@H](C1)C 8e58303cc3f67174cc42b6dcc5e5c1a5 [0,2,0,1,0,0|0,0,0]=3 36753 B12R1.394 CC[C@@H](C)COC[C@H]1C[C@H](C1)F 396683263d8b2ccb780989ff3c6353a9 [0,2,0,1,0,0|0,0,0]=3 36754 B12R1.394 CC[C@@H](O)CNCC1CC(C1)C b0709f467a354152993b5d6529fee2ea [0,2,0,1,0,0|1,0,0]=4 36755 B12R1.394 CC[C@@H](O)CNCC1CC(C1)O d504b4c5e0ccf960241bdfdd82d1b51b [0,2,0,1,0,0|1,0,0]=4 36756 B12R1.394 CC[C@@H](O)CNC[C@H]1C[C@H](C1)F 0ebc55cb297a97d4b2a14f3651f9409a [0,2,0,1,0,0|1,0,0]=4 36757 B12R1.394 CC[C@H](C)CNCC1CC(C1)C 2aab6e71456d0b52ac44538a239e7a26 [0,2,0,1,0,0|1,0,0]=4 36758 B12R1.394 CC[C@H](C)CNCC1CC(C1)O b9ff46b11964f242f1a66f2751ffcd99 [0,2,0,1,0,0|1,0,0]=4 36759 B12R1.394 CC[C@H](C)CNC[C@H]1C[C@@H](C1)O 69c1001f33ca01583bb62374e99580cd [0,2,0,1,0,0|1,0,0]=4 36760 B12R1.394 CC[C@H](C)CNC[C@H]1C[C@H](C1)F 33b340a97b038be99aaf36d8005c560e [0,2,0,1,0,0|1,0,0]=4 36761 B12R1.394 CC[C@H](C)CNC[C@H]1C[C@H](C1)O 1be533b3492aecb426c0ed09af7b78c3 [0,2,0,1,0,0|1,0,0]=4 36762 B12R1.394 CC[C@H](C)COCC1CC(=O)C1 1d4a36b646561b8358abe2608c8ffa28 [0,2,0,1,0,0|0,0,1]=4 36763 B12R1.394 CC[C@H](C)COCC1CC(C1)C 98bb31eda3901ab9c57b9421af72fc4d [0,2,0,1,0,0|0,0,0]=3 36764 B12R1.394 CC[C@H](C)COCC1CC(C1)F 950479bb59f01b8356009ddc3b9afc1e [0,2,0,1,0,0|0,0,0]=3 36765 B12R1.394 CC[C@H](C)COCC1CN(C1)C 58f8c157c4d9573c32eada6f6c7c9c84 [0,2,0,1,0,0|1,0,0]=4 36766 B12R1.394 CC[C@H](C)COC[C@H]1C[C@@H](C1)C 9166c5c1d2f8c6c649739f8bd489e488 [0,2,0,1,0,0|0,0,0]=3 36767 B12R1.394 CC[C@H](C)COC[C@H]1C[C@H](C1)F 32bad4715c04b526d87a3c34c02bcde1 [0,2,0,1,0,0|0,0,0]=3 36768 B12R1.394 COC(C)COCC1CC(C1)C 75fa11bb4b7871d336b1c227cd39fc35 [0,2,0,1,0,0|1,0,0]=4 36769 B12R1.394 COC(C)COCC1CC(C1)F 0252ea8e973b0b51c1ca1d9727e3d484 [0,2,0,1,0,0|1,0,0]=4 36770 B12R1.394 COC(C)COC[C@H]1C[C@@H](C1)C b4536f0cc50514077bbbc01229b5b820 [0,2,0,1,0,0|1,0,0]=4 36771 B12R1.394 COC(C)COC[C@H]1C[C@H](C1)F 1af9068e43534c42a6788bbffba50e09 [0,2,0,1,0,0|1,0,0]=4 36772 B12R1.394 CO[C@@H](C)COCC1CC(C1)C e5ba336f8968ff3b8d284fd2a9f2294f [0,2,0,1,0,0|1,0,0]=4 36773 B12R1.394 CO[C@@H](C)COCC1CC(C1)F de5c6a1148a82bb301c3ccb2030d9de8 [0,2,0,1,0,0|1,0,0]=4 36774 B12R1.394 CO[C@@H](C)COC[C@H]1C[C@@H](C1)C 59cff429977e91a00f4b116a3184d0a4 [0,2,0,1,0,0|1,0,0]=4 36775 B12R1.394 CO[C@@H](C)COC[C@H]1C[C@H](C1)F 09849f9adfd6b662724e453d4f5f15b0 [0,2,0,1,0,0|1,0,0]=4 36776 B12R1.394 CO[C@H](C)COCC1CC(C1)C f022736c55f86272dd7d674a8a747af5 [0,2,0,1,0,0|1,0,0]=4 36777 B12R1.394 CO[C@H](C)COCC1CC(C1)F 8fc424d243cb4275e9cb38d3947606b0 [0,2,0,1,0,0|1,0,0]=4 36778 B12R1.394 CO[C@H](C)COC[C@H]1C[C@@H](C1)C c22d3e21626b29027f893c3093ab15ca [0,2,0,1,0,0|1,0,0]=4 36779 B12R1.394 CO[C@H](C)COC[C@H]1C[C@H](C1)F d4452d4dc0c994b12facc9974293756c [0,2,0,1,0,0|1,0,0]=4 36780 B12R1.394 C[C@H]1C[C@@H](C1)COCC(O)CO 341f90afd9de3e40455e94adbf2b1ab2 [0,2,0,1,0,0|1,0,0]=4 36781 B12R1.394 C[C@H]1C[C@@H](C1)COC[C@@H](O)CO 02aaef0dcf2dfa42ac3986d65ded2253 [0,2,0,1,0,0|1,0,0]=4 36782 B12R1.394 C[C@H]1C[C@@H](C1)COC[C@H](O)CO b164572f1a5f2c73e3f8046a97b07e03 [0,2,0,1,0,0|1,0,0]=4 36783 B12R1.394 F[C@H]1C[C@H](C1)COCC(Br)CBr 596b63877ea3e343b37e3f88d62e383a [0,2,0,1,0,0|1,0,0]=4 36784 B12R1.394 F[C@H]1C[C@H](C1)COCC(Cl)CCl ec59323b7e3af5a0c97896babbf3bca8 [0,2,0,1,0,0|1,0,0]=4 36785 B12R1.394 F[C@H]1C[C@H](C1)COCC(S)CS b8dd5445e4d21e52eee6ea0eb86c5663 [0,2,0,1,0,0|1,0,0]=4 36786 B12R1.394 OCC(O)COCC1CC(C1)F 42d6d9e23126e24dbf8e6f128a6f0ee1 [0,2,0,1,0,0|1,0,0]=4 36787 B12R1.394 OC[C@@H](O)COCC1CC(C1)F aa4c2360a9ae0e7b48981f2e3530a387 [0,2,0,1,0,0|1,0,0]=4 36788 B12R1.394 OC[C@H](O)COCC1CC(C1)F fbcdf26a076dd5029ebd4f9b36b1784b [0,2,0,1,0,0|1,0,0]=4 36789 B12R1.396 C#C[C@H]1C[C@H]1COCC(C)CC 1e7e1f3e0ed1b6a0545fc21c24cbb63a [0,2,0,1,0,0|0,0,1]=4 36790 B12R1.396 C#C[C@H]1C[C@H]1COC[C@@H](C)CC 8f0f7db378873a58789354fe37bfc581 [0,2,0,1,0,0|0,0,1]=4 36791 B12R1.396 C#C[C@H]1C[C@H]1COC[C@H](C)CC 87d9b16d40080c8b51677d913f575503 [0,2,0,1,0,0|0,0,1]=4 36792 B12R1.396 CCC(C)CCN[C@@H]1C[C@@H]1OC 8b557720ae4a1eb8c5eeaa858a7f1879 [0,2,0,1,0,0|1,0,0]=4 36793 B12R1.396 CCC(C)CCN[C@@H]1C[C@H]1CO 8b48775d82e66de51d1e80d9777284aa [0,2,0,1,0,0|1,0,0]=4 36794 B12R1.396 CCC(C)CCN[C@H]1C[C@@H]1CO f9b338b749a30d5641534d09f20f8cc3 [0,2,0,1,0,0|1,0,0]=4 36795 B12R1.396 CCC(C)CCN[C@H]1C[C@H]1CO 6b5fc2ca996388cc09817bd3ab2172df [0,2,0,1,0,0|1,0,0]=4 36796 B12R1.396 CCC(C)CCOC1CC1C=O e05db7cb72c1d6d06f33ae486a9f6f56 [0,2,0,1,0,0|0,0,1]=4 36797 B12R1.396 CCC(C)CNCC1CC1CO 911a0de480fa3c89c60207f2d851aec8 [0,2,0,1,0,0|1,0,0]=4 36798 B12R1.396 CCC(C)COCC1CC1C#N cb03ad72678a06ba64a728d9ce1e95c4 [0,2,0,1,0,0|0,0,1]=4 36799 B12R1.396 CCC(O)CNCC1CC1CO 7bc8b7adaf1c7087387c3ab2adcc32f3 [0,2,0,1,0,0|1,0,0]=4 36800 B12R1.396 CCC(S)CCOC1CC1C=O badaeadb262d82c8fc9791e96b79667b [0,2,0,1,0,0|0,0,1]=4 36801 B12R1.396 CC[C@@H](C)CNCC1CC1CO 16157b05176be69bedc7cee927190517 [0,2,0,1,0,0|1,0,0]=4 36802 B12R1.396 CC[C@@H](C)COCC1CC1C#N 2ce15e736bf84c83934ec25129320146 [0,2,0,1,0,0|0,0,1]=4 36803 B12R1.396 CC[C@H](C)CCOC1CC1C=O 78ed15a9c23cbf01b887c0e07966849f [0,2,0,1,0,0|0,0,1]=4 36804 B12R1.396 CC[C@H](C)CNCC1CC1CO d45216eed953b498291aa062e23c82a1 [0,2,0,1,0,0|1,0,0]=4 36805 B12R1.396 CC[C@H](C)COCC1CC1C#N a521eb7b227d92c8dd316a43fb0f0064 [0,2,0,1,0,0|0,0,1]=4 36806 B12R1.477 BrCC(Br)COCC1CCCC1 37bb2e2472ef01efdbc8d161386d1c63 [0,2,0,1,0,0|1,0,0]=4 36807 B12R1.477 BrCC(Br)COCC1CCCO1 b308128aec02eb11416487e27d7e51da [0,2,0,1,0,0|1,0,0]=4 36808 B12R1.477 BrCC(Br)COCC1CCOC1 85c125cc552a2e851de8ef0b0231fce4 [0,2,0,1,0,0|1,0,0]=4 36809 B12R1.477 C=C(CC)COCC1CCCC1 f3758d30ada2bfa89603d9927498480d [0,2,0,1,0,0|0,0,1]=4 36810 B12R1.477 C=C(CC)COCC1CCCO1 34626decf47e9e31911df2f1ee35f462 [0,2,0,1,0,0|0,0,1]=4 36811 B12R1.477 C=C(CC)COCC1CCCS1 40a26e81a19541708f981c7dd8f918e2 [0,2,0,1,0,0|0,0,1]=4 36812 B12R1.477 C=C(CC)COCC1CCOC1 36df501e02cb31006a998e04bd82d9cd [0,2,0,1,0,0|0,0,1]=4 36813 B12R1.477 C=C(CC)COCN1CCCC1 b5d4ca57def60300ecaf601f4605b1cf [0,2,0,1,0,0|0,0,1]=4 36814 B12R1.477 C=C(CC)COC[C@@H]1CCCO1 b9305558b0fae67a9f2b75d735e43172 [0,2,0,1,0,0|0,0,1]=4 36815 B12R1.477 C=C(CC)COC[C@@H]1CCOC1 3a0bbea1c2aa87fd8d1cb9d7ce8bb99f [0,2,0,1,0,0|0,0,1]=4 36816 B12R1.477 C=C(CC)COC[C@H]1CCCO1 c7da95d0ebcf5491911040afeaa7385b [0,2,0,1,0,0|0,0,1]=4 36817 B12R1.477 C=C(CC)COC[C@H]1CCOC1 e3b9e98edc8670f49d49d570dc873c8a [0,2,0,1,0,0|0,0,1]=4 36818 B12R1.477 CC(CO)CCNC1CCCC1 f4ff9970894c4cfa904b584937405b9b [0,2,0,1,0,0|1,0,0]=4 36819 B12R1.477 CCC(=O)COCC1CCCC1 c8562fd75fad6a35e585f68a8bed3581 [0,2,0,1,0,0|0,0,1]=4 36820 B12R1.477 CCC(=O)COCC1CCCO1 c4f7fb75281193ef4162e6013af67a21 [0,2,0,1,0,0|0,0,1]=4 36821 B12R1.477 CCC(=O)COCC1CCCS1 ad827b19ff6e9a6e9646d1abee1cc6ec [0,2,0,1,0,0|0,0,1]=4 36822 B12R1.477 CCC(=O)COCC1CCOC1 e7c823a086234449dc3ac0d20978d1ea [0,2,0,1,0,0|0,0,1]=4 36823 B12R1.477 CCC(=O)COCN1CCCC1 9bda17e69f6f3c10b346a86d489b9337 [0,2,0,1,0,0|0,0,1]=4 36824 B12R1.477 CCC(=O)COC[C@@H]1CCCO1 c87973751310d4878355b83cd8a8204b [0,2,0,1,0,0|0,0,1]=4 36825 B12R1.477 CCC(=O)COC[C@@H]1CCOC1 eac3d7daa14e6844f5bbea43261f4207 [0,2,0,1,0,0|0,0,1]=4 36826 B12R1.477 CCC(=O)COC[C@H]1CCCO1 f9e0691c371b6d34aad65da482932916 [0,2,0,1,0,0|0,0,1]=4 36827 B12R1.477 CCC(=O)COC[C@H]1CCOC1 d14d54065361f9dc2e321b868bb99193 [0,2,0,1,0,0|0,0,1]=4 36828 B12R1.477 CCC(=O)OCOC1CCCC1 14d3c1eadadedb2bc6b3b9d836da0898 [0,2,0,1,0,0|0,0,1]=4 36829 B12R1.477 CCC(C)CCNC1CCCC1 78c0e0e5a20b1aa4c73c63f87671c27e [0,2,0,1,0,0|1,0,0]=4 36830 B12R1.477 CCC(C)CCNC1CCOC1 eb0024e6d47aa1ae5f564619fb4a7fd8 [0,2,0,1,0,0|1,0,0]=4 36831 B12R1.477 CCC(C)CCNC1CCSC1 19c4479587b5d8be6a29ce29797fe04e [0,2,0,1,0,0|1,0,0]=4 36832 B12R1.477 CCC(C)CCN[C@@H]1CCOC1 dc5b8917846b74d879709c2dd1b6cddb [0,2,0,1,0,0|1,0,0]=4 36833 B12R1.477 CCC(C)CCN[C@H]1CCOC1 c596310ffd6caa620cbcd0bbe8daa044 [0,2,0,1,0,0|1,0,0]=4 36834 B12R1.477 CCC(C)CCOC1C=CCC1 8054f54f89c8fcb97ee93b18ff971990 [0,2,0,1,0,0|0,0,1]=4 36835 B12R1.477 CCC(C)CCOC1CC=CC1 65687e00bffce84b585c4c14c8fb8700 [0,2,0,1,0,0|0,0,1]=4 36836 B12R1.477 CCC(C)CCOC1CCCC1 b18e04e977403b76a199b7912a4082c3 [0,2,0,1,0,0|0,0,0]=3 36837 B12R1.477 CCC(C)CCOC1CCCO1 b05c375f9443d4f928bb805d6b55c59b [0,2,0,1,0,0|0,0,0]=3 36838 B12R1.477 CCC(C)CCOC1CCOC1 5670649d45edbb87d7a9c79b3dd96d7f [0,2,0,1,0,0|0,0,0]=3 36839 B12R1.477 CCC(C)CCOC1CCSC1 4d0ea09494d8416d1cdb2410178b3035 [0,2,0,1,0,0|0,0,0]=3 36840 B12R1.477 CCC(C)CCO[C@@H]1CCOC1 9f1c3c27ff83eac57f00649152c22129 [0,2,0,1,0,0|0,0,0]=3 36841 B12R1.477 CCC(C)CCO[C@@H]1CCSC1 d07b390dd5b600a79382035c0a3060d4 [0,2,0,1,0,0|0,0,0]=3 36842 B12R1.477 CCC(C)CCO[C@H]1CCOC1 0fb3b537f376d0e25f5ecf5e51d274c1 [0,2,0,1,0,0|0,0,0]=3 36843 B12R1.477 CCC(C)CCO[C@H]1CCSC1 469f5410ea2d942edf451ea128ca0ec6 [0,2,0,1,0,0|0,0,0]=3 36844 B12R1.477 CCC(C)CNCC1CCCC1 19987a1faa3a96f148fa02e23fe6676b [0,2,0,1,0,0|1,0,0]=4 36845 B12R1.477 CCC(C)CNCC1CCCO1 01e7b047f0cc41bbb76aa769607ae2fb [0,2,0,1,0,0|1,0,0]=4 36846 B12R1.477 CCC(C)CNCC1CCOC1 7462cc15f5a1374362c74d3c9cfd36ac [0,2,0,1,0,0|1,0,0]=4 36847 B12R1.477 CCC(C)CNC[C@@H]1CCCO1 53f4d26508f438ac64a45a8298242883 [0,2,0,1,0,0|1,0,0]=4 36848 B12R1.477 CCC(C)CNC[C@@H]1CCOC1 2b06d895b4da85f8a90b025dea8e0496 [0,2,0,1,0,0|1,0,0]=4 36849 B12R1.477 CCC(C)CNC[C@H]1CCCO1 a82d530780c8c2f7bd183c4ea9b7f88d [0,2,0,1,0,0|1,0,0]=4 36850 B12R1.477 CCC(C)CNC[C@H]1CCOC1 88a624b0e430671a80cd9e109bf5dfa3 [0,2,0,1,0,0|1,0,0]=4 36851 B12R1.477 CCC(C)COCC1C=CCC1 afce368758cde7d523059a47661c001c [0,2,0,1,0,0|0,0,1]=4 36852 B12R1.477 CCC(C)COCC1CC=CC1 889d982121622c4e436177f1d0b64e32 [0,2,0,1,0,0|0,0,1]=4 36853 B12R1.477 CCC(C)COCC1CCCC1 6fbba9c366e215f32af87d6389fea04e [0,2,0,1,0,0|0,0,0]=3 36854 B12R1.477 CCC(C)COCC1CCCO1 74acb498e6c8ee55b88a9b5b908cc090 [0,2,0,1,0,0|0,0,0]=3 36855 B12R1.477 CCC(C)COCC1CCCS1 02ebbffaa05c53ddd6ef2b88d96d70fa [0,2,0,1,0,0|0,0,0]=3 36856 B12R1.477 CCC(C)COCC1CCOC1 4b98d6e729ff093468b97132a8b71415 [0,2,0,1,0,0|0,0,0]=3 36857 B12R1.477 CCC(C)COCN1CCCC1 9695d2e30a4778f096ed03e8ba73cfb5 [0,2,0,1,0,0|0,0,0]=3 36858 B12R1.477 CCC(C)COC[C@@H]1CCCO1 2cbadfe2144f8502863884ffa3de3929 [0,2,0,1,0,0|0,0,0]=3 36859 B12R1.477 CCC(C)COC[C@@H]1CCOC1 3e8cdb010067622e40b347376d83807f [0,2,0,1,0,0|0,0,0]=3 36860 B12R1.477 CCC(C)COC[C@H]1CCCO1 018399b0fcf1b4a0dd3d6be5a2240e89 [0,2,0,1,0,0|0,0,0]=3 36861 B12R1.477 CCC(C)COC[C@H]1CCOC1 366f8d2e2e0f7f0efc7fbe298ab2c097 [0,2,0,1,0,0|0,0,0]=3 36862 B12R1.477 CCC(C)NCCC1CCCC1 95ca8569b00433dfb4c752df07a17253 [0,2,0,1,0,0|1,0,0]=4 36863 B12R1.477 CCC(C)NCCN1CCCC1 f2c351084f5c75432671ddb5857e7ee3 [0,2,0,1,0,0|1,0,0]=4 36864 B12R1.477 CCC(C)OCCC1CCCC1 a53a742a870bbfd4613a10c4e9f0a0b4 [0,2,0,1,0,0|1,0,0]=4 36865 B12R1.477 CCC(C)OCCN1CCCC1 f98f22c2938e4a6a45efae1ac93cfb7b [0,2,0,1,0,0|1,0,0]=4 36866 B12R1.477 CCC(O)CNCC1CCCC1 3ea47cc4867b197360b0edef2530681a [0,2,0,1,0,0|1,0,0]=4 36867 B12R1.477 CCC(O)CNCC1CCCO1 9877bd1937122fe04d3244db35c784fc [0,2,0,1,0,0|1,0,0]=4 36868 B12R1.477 CCC(O)CNCC1CCOC1 e49bfdbc93c5cac2cf300c0a038f273e [0,2,0,1,0,0|1,0,0]=4 36869 B12R1.477 CCC(O)CNC[C@@H]1CCCO1 67e6b7eedf929ad68cda756bdc9c11fb [0,2,0,1,0,0|1,0,0]=4 36870 B12R1.477 CCC(O)CNC[C@@H]1CCOC1 d0b36ff20a40dbfa4123e70b4e662256 [0,2,0,1,0,0|1,0,0]=4 36871 B12R1.477 CCC(O)CNC[C@H]1CCCO1 ddaf38c30eae31aab211bdbe0c7b2a56 [0,2,0,1,0,0|1,0,0]=4 36872 B12R1.477 CCC(O)CNC[C@H]1CCOC1 6e4af02d5184f147f74e9815e3ce1c21 [0,2,0,1,0,0|1,0,0]=4 36873 B12R1.477 CCC(S)CCOC1CCCC1 f8f456de467d2a7a86f5898da5916e51 [0,2,0,1,0,0|0,0,0]=3 36874 B12R1.477 CCC(S)CCOC1CCOC1 2f2462345fe6f39716cca18cea1cc64c [0,2,0,1,0,0|0,0,0]=3 36875 B12R1.477 CCC(S)CCO[C@@H]1CCOC1 ce6c056ac7bd45b8f994935ff15b4f41 [0,2,0,1,0,0|0,0,0]=3 36876 B12R1.477 CCC(S)CCO[C@H]1CCOC1 8763342a5e8e37090c04932b10f93a18 [0,2,0,1,0,0|0,0,0]=3 36877 B12R1.477 CCN(C)CCCC1CCCC1 78e40a4cddfb5b4b12f3b48e9c03a052 [0,2,0,1,0,0|1,0,0]=4 36878 B12R1.477 CCN(C)CCCN1CCCC1 b063da1b85f23feb670677240239d759 [0,2,0,1,0,0|1,0,0]=4 36879 B12R1.477 CCN(C)CCOC1CCOC1 34f3352c525077b1d7d729e9d69ef4df [0,2,0,1,0,0|1,0,0]=4 36880 B12R1.477 CCS(=O)CCNC1CCCC1 7e9908cf795c85083229184cc0138c9c [0,2,0,1,0,0|1,0,0]=4 36881 B12R1.477 CCS(=O)CCOC1CCCC1 f7a44b26700fc0814a08737bfff23316 [0,2,0,1,0,0|0,0,0]=3 36882 B12R1.477 CCS(=O)CCOC1CCCO1 3a3c4a935d6b44f477784611d59e6a41 [0,2,0,1,0,0|1,0,0]=4 36883 B12R1.477 CCS(=O)CCOC1CCOC1 8726c1c7d50b3be9a0ba3401aa3c305e [0,2,0,1,0,0|1,0,0]=4 36884 B12R1.477 CCS(=O)CCOC1CCSC1 9123c0ec9b4b1113860c5feee1d7d3ac [0,2,0,1,0,0|1,0,0]=4 36885 B12R1.477 CCS(=O)CCO[C@@H]1CCOC1 34106a6e0692b4c74568b058c2a5621c [0,2,0,1,0,0|1,0,0]=4 36886 B12R1.477 CCS(=O)CCO[C@@H]1CCSC1 a466a2208b7e17bbbed8fc2c3e7f3568 [0,2,0,1,0,0|1,0,0]=4 36887 B12R1.477 CCS(=O)CCO[C@H]1CCOC1 64c119d7e0f69129a5426dd3a4d87306 [0,2,0,1,0,0|1,0,0]=4 36888 B12R1.477 CCS(=O)CCO[C@H]1CCSC1 eaae38f12ee3cc99c0c05dce3f050e26 [0,2,0,1,0,0|1,0,0]=4 36889 B12R1.477 CC[C@@H](C)CNCC1CCCC1 45d95b94202a7282b9e0f743bd55a9cd [0,2,0,1,0,0|1,0,0]=4 36890 B12R1.477 CC[C@@H](C)CNCC1CCCO1 fd3f0b0b167ce609c5f6a618e9e6ab01 [0,2,0,1,0,0|1,0,0]=4 36891 B12R1.477 CC[C@@H](C)CNCC1CCOC1 6ae0cae17b10e03e02897a221b91a80a [0,2,0,1,0,0|1,0,0]=4 36892 B12R1.477 CC[C@@H](C)CNC[C@@H]1CCCO1 edf0ff9060dc97ba2e080e9cf952f967 [0,2,0,1,0,0|1,0,0]=4 36893 B12R1.477 CC[C@@H](C)CNC[C@@H]1CCOC1 a938bb8cd4c6df61023dd38a42f3da19 [0,2,0,1,0,0|1,0,0]=4 36894 B12R1.477 CC[C@@H](C)CNC[C@H]1CCCO1 c2b566a30bbf2ef2a8f22161bff01504 [0,2,0,1,0,0|1,0,0]=4 36895 B12R1.477 CC[C@@H](C)CNC[C@H]1CCOC1 76d08ef5357babd65b97c710fa153163 [0,2,0,1,0,0|1,0,0]=4 36896 B12R1.477 CC[C@@H](C)COCC1C=CCC1 df2618b6e0ff516bbcb06f14c6c1bdf7 [0,2,0,1,0,0|0,0,1]=4 36897 B12R1.477 CC[C@@H](C)COCC1CC=CC1 ed31ef4490b00dad79507fe82654bdf3 [0,2,0,1,0,0|0,0,1]=4 36898 B12R1.477 CC[C@@H](C)COCC1CCCC1 a1e431a0a6b5c7880e90c8555c1d75b8 [0,2,0,1,0,0|0,0,0]=3 36899 B12R1.477 CC[C@@H](C)COCC1CCCO1 c19ca4a4d1227c5518be1f6dc78627e4 [0,2,0,1,0,0|0,0,0]=3 36900 B12R1.477 CC[C@@H](C)COCC1CCCS1 5e9653c2fe4f5538bb7471cc52d81a5b [0,2,0,1,0,0|0,0,0]=3 36901 B12R1.477 CC[C@@H](C)COCC1CCOC1 97d261b99e756b16cc874c3ede575ea0 [0,2,0,1,0,0|0,0,0]=3 36902 B12R1.477 CC[C@@H](C)COCN1CCCC1 223bc39d3bfd163885e9aab04182a08d [0,2,0,1,0,0|0,0,0]=3 36903 B12R1.477 CC[C@@H](C)COC[C@@H]1CCCO1 1eb72fce18bd7fd0c63fe29df1a87235 [0,2,0,1,0,0|0,0,0]=3 36904 B12R1.477 CC[C@@H](C)COC[C@@H]1CCOC1 c55e58e8a0b5caf36cc41cf7c5ba7684 [0,2,0,1,0,0|0,0,0]=3 36905 B12R1.477 CC[C@@H](C)COC[C@H]1CCCO1 2ffc2dd1c832accb6302e8cf8964a92d [0,2,0,1,0,0|0,0,0]=3 36906 B12R1.477 CC[C@@H](C)COC[C@H]1CCOC1 1a86232ee65d90bd9129185d5cde27c8 [0,2,0,1,0,0|0,0,0]=3 36907 B12R1.477 CC[C@@H](C)NCCC1CCCC1 3bf99adc1e6efc010f2086ae5a6f3489 [0,2,0,1,0,0|1,0,0]=4 36908 B12R1.477 CC[C@@H](C)NCCN1CCCC1 a7f6c8d0a9766aeed7c762c041d99aff [0,2,0,1,0,0|1,0,0]=4 36909 B12R1.477 CC[C@@H](C)OCCC1CCCC1 8baa8aed2fd5838c7c7588edd75960e4 [0,2,0,1,0,0|1,0,0]=4 36910 B12R1.477 CC[C@@H](C)OCCN1CCCC1 6be20d4b914c3e9c4a4acdff59f3cc1b [0,2,0,1,0,0|1,0,0]=4 36911 B12R1.477 CC[C@@H](O)CNCC1CCCC1 35d167fc0c853f3fff2ddd4cb5345180 [0,2,0,1,0,0|1,0,0]=4 36912 B12R1.477 CC[C@@H](O)CNCC1CCCO1 55fab9d5bee9d99d5e29217a0da5d0f1 [0,2,0,1,0,0|1,0,0]=4 36913 B12R1.477 CC[C@@H](O)CNCC1CCOC1 77c307689e60b38f95ccd51d23d53578 [0,2,0,1,0,0|1,0,0]=4 36914 B12R1.477 CC[C@H](C)CCOC1CCCC1 9d9271cca5f239fe2504ac11df1970ca [0,2,0,1,0,0|0,0,0]=3 36915 B12R1.477 CC[C@H](C)CCOC1CCOC1 2fcd467868d5d7efd8621974e2e96407 [0,2,0,1,0,0|0,0,0]=3 36916 B12R1.477 CC[C@H](C)CCO[C@@H]1CCOC1 873c738441b86927252a5a4a3f4ffba2 [0,2,0,1,0,0|0,0,0]=3 36917 B12R1.477 CC[C@H](C)CCO[C@H]1CCOC1 fb9ad82d222452547a67148b1b273618 [0,2,0,1,0,0|0,0,0]=3 36918 B12R1.477 CC[C@H](C)CNCC1CCCC1 5c05654e5ca69350a7987d82ca033702 [0,2,0,1,0,0|1,0,0]=4 36919 B12R1.477 CC[C@H](C)CNCC1CCCO1 e9372d60ff7657909f6bc9df6f0fafdc [0,2,0,1,0,0|1,0,0]=4 36920 B12R1.477 CC[C@H](C)CNCC1CCOC1 57184c8fd0dd10b2b0dd30807d64ecef [0,2,0,1,0,0|1,0,0]=4 36921 B12R1.477 CC[C@H](C)CNC[C@@H]1CCCO1 09b3f834b0919544b73df450bae0bdd4 [0,2,0,1,0,0|1,0,0]=4 36922 B12R1.477 CC[C@H](C)CNC[C@@H]1CCOC1 7ba414b91609fe871678d184c1dfd0ad [0,2,0,1,0,0|1,0,0]=4 36923 B12R1.477 CC[C@H](C)CNC[C@H]1CCCO1 a014892d73157a96793215cdfff23ae9 [0,2,0,1,0,0|1,0,0]=4 36924 B12R1.477 CC[C@H](C)CNC[C@H]1CCOC1 7f269a462db31b15b00e40485de372ec [0,2,0,1,0,0|1,0,0]=4 36925 B12R1.477 CC[C@H](C)COCC1C=CCC1 78588b8441330ac85a35033e4cf46c79 [0,2,0,1,0,0|0,0,1]=4 36926 B12R1.477 CC[C@H](C)COCC1CC=CC1 dbe8c33f6540a06a99fca2e41b6f0e10 [0,2,0,1,0,0|0,0,1]=4 36927 B12R1.477 CC[C@H](C)COCC1CCCC1 9867bcdf79813862a80a0e2d7de02857 [0,2,0,1,0,0|0,0,0]=3 36928 B12R1.477 CC[C@H](C)COCC1CCCO1 e7aa0e4118a7fd72c4f4ade0f92c5041 [0,2,0,1,0,0|0,0,0]=3 36929 B12R1.477 CC[C@H](C)COCC1CCCS1 306d9572d26992dd1d1a60d224f18255 [0,2,0,1,0,0|0,0,0]=3 36930 B12R1.477 CC[C@H](C)COCC1CCOC1 4e0a3538d828e6e2da13c6386364fe86 [0,2,0,1,0,0|0,0,0]=3 36931 B12R1.477 CC[C@H](C)COCN1CCCC1 52f7bf57bf16532074c2089f7f0b6c38 [0,2,0,1,0,0|0,0,0]=3 36932 B12R1.477 CC[C@H](C)COC[C@@H]1CCCO1 6f39b3190d286e9c7c47ee0408ae30cd [0,2,0,1,0,0|0,0,0]=3 36933 B12R1.477 CC[C@H](C)COC[C@@H]1CCOC1 516fd2f6894338b3a3956122d463edd2 [0,2,0,1,0,0|0,0,0]=3 36934 B12R1.477 CC[C@H](C)COC[C@H]1CCCO1 a855573fc24cfd4959b2c7b93a43e4f9 [0,2,0,1,0,0|0,0,0]=3 36935 B12R1.477 CC[C@H](C)COC[C@H]1CCOC1 fc84f9b284f4943beef622844c1d9712 [0,2,0,1,0,0|0,0,0]=3 36936 B12R1.477 CC[C@H](C)NCCC1CCCC1 7e7fb96fb019460d4e52a0eeaabd5f1c [0,2,0,1,0,0|1,0,0]=4 36937 B12R1.477 CC[C@H](C)NCCN1CCCC1 77b37fbf4d7ba058a83c5419f6d825a5 [0,2,0,1,0,0|1,0,0]=4 36938 B12R1.477 CC[C@H](C)OCCC1CCCC1 adf0797a7a46de98ffb1d8a40bcdd1cf [0,2,0,1,0,0|1,0,0]=4 36939 B12R1.477 CC[C@H](C)OCCN1CCCC1 8c88eda0cdcacfe8e455c9940def0f71 [0,2,0,1,0,0|1,0,0]=4 36940 B12R1.477 CN(C#N)CCOC1CCCC1 7a0b984418170156a96d9d953c6a89a5 [0,2,0,1,0,0|1,0,0]=4 36941 B12R1.477 CN(C=O)CCOC1CCCC1 9655420a7311f1170951952850933115 [0,2,0,1,0,0|1,0,0]=4 36942 B12R1.477 CNC(=O)CCOC1CCCC1 8b7da3673c3e4357e2f34cc70ea81c24 [0,2,0,1,0,0|0,0,1]=4 36943 B12R1.477 COC(=O)CCOC1CCCC1 41d99f7c621e9109f1f013725365133e [0,2,0,1,0,0|0,0,1]=4 36944 B12R1.477 COC(C)CCOC1CCCC1 5e9d773e775bbcbd4b2dff29bc96ddc7 [0,2,0,1,0,0|0,0,0]=3 36945 B12R1.477 COC(C)CCOC1CCOC1 342631a5461292bbcef26984307a83b6 [0,2,0,1,0,0|1,0,0]=4 36946 B12R1.477 COC(C)CCO[C@@H]1CCOC1 24c259b46243dcb01d107be331977c72 [0,2,0,1,0,0|1,0,0]=4 36947 B12R1.477 COC(C)CCO[C@H]1CCOC1 bfbe094d06a5e10e761db02600d1a32b [0,2,0,1,0,0|1,0,0]=4 36948 B12R1.477 COC(C)COCC1CCCC1 6d424d11694748fd611e4215b5e6592c [0,2,0,1,0,0|1,0,0]=4 36949 B12R1.477 COC(C)COCC1CCCO1 cedbbbea1aec730d418413c6951fcfac [0,2,0,1,0,0|1,0,0]=4 36950 B12R1.477 COC(C)COCC1CCCS1 7989c771ea7619900303283933f60cd4 [0,2,0,1,0,0|1,0,0]=4 36951 B12R1.477 COC(C)COCC1CCOC1 11b9a313bba64aea06a0d1c6a8bc06cd [0,2,0,1,0,0|1,0,0]=4 36952 B12R1.477 COC(C)COCN1CCCC1 68b5ed47ad6c9edd9baa16a3379b911e [0,2,0,1,0,0|1,0,0]=4 36953 B12R1.477 COC(C)COC[C@@H]1CCCO1 8a8ec1e80bdd09ebc9c8ac2db318ac14 [0,2,0,1,0,0|1,0,0]=4 36954 B12R1.477 COC(C)COC[C@@H]1CCOC1 cb72e0c5ae8ea6a97d8260254dc9198f [0,2,0,1,0,0|1,0,0]=4 36955 B12R1.477 COC(C)COC[C@H]1CCCO1 3d7e1e15226de7b3c69be50aaf0d37c5 [0,2,0,1,0,0|1,0,0]=4 36956 B12R1.477 COC(C)COC[C@H]1CCOC1 be5f682a94e78243c51f3fda46129595 [0,2,0,1,0,0|1,0,0]=4 36957 B12R1.477 CO[C@@H](C)COCC1CCCC1 a6e9a6d30aac832028843c20a991ffe0 [0,2,0,1,0,0|1,0,0]=4 36958 B12R1.477 CO[C@@H](C)COCC1CCCO1 d1c9eccb630f2494ff2805947064c496 [0,2,0,1,0,0|1,0,0]=4 36959 B12R1.477 CO[C@@H](C)COCC1CCCS1 e5c55252f4c0e6db1fb09559e6af1df0 [0,2,0,1,0,0|1,0,0]=4 36960 B12R1.477 CO[C@@H](C)COCC1CCOC1 5509813b8dbf79e4645674837ba7dbc4 [0,2,0,1,0,0|1,0,0]=4 36961 B12R1.477 CO[C@@H](C)COCN1CCCC1 49aa680e2c5e067552d3ec14a820c6f3 [0,2,0,1,0,0|1,0,0]=4 36962 B12R1.477 CO[C@@H](C)COC[C@@H]1CCCO1 140576b3c833a5e2f9762b2b35679c56 [0,2,0,1,0,0|1,0,0]=4 36963 B12R1.477 CO[C@@H](C)COC[C@@H]1CCOC1 31ccbbe7b502d6a1d38ad5fb02e5cf19 [0,2,0,1,0,0|1,0,0]=4 36964 B12R1.477 CO[C@@H](C)COC[C@H]1CCCO1 855d251ea40c091e00cc910eb23fe4c8 [0,2,0,1,0,0|1,0,0]=4 36965 B12R1.477 CO[C@@H](C)COC[C@H]1CCOC1 0161d5a7d7ac258b987772345bf1e73f [0,2,0,1,0,0|1,0,0]=4 36966 B12R1.477 CO[C@H](C)COCC1CCCC1 f31fa8c719ccf0937c92535aebf2ff27 [0,2,0,1,0,0|1,0,0]=4 36967 B12R1.477 CO[C@H](C)COCC1CCCO1 d44314b37b0d921ca18b18437ad2cb32 [0,2,0,1,0,0|1,0,0]=4 36968 B12R1.477 CO[C@H](C)COCC1CCCS1 6cf31339e35d0ccbfe8ff8397e86dc1b [0,2,0,1,0,0|1,0,0]=4 36969 B12R1.477 CO[C@H](C)COCC1CCOC1 108f0cc23fa573fecde22f6214bdcc6e [0,2,0,1,0,0|1,0,0]=4 36970 B12R1.477 CO[C@H](C)COCN1CCCC1 5458893b3f6d3b0e3014e61b8f0a5477 [0,2,0,1,0,0|1,0,0]=4 36971 B12R1.477 CO[C@H](C)COC[C@@H]1CCCO1 c5b028adf3396fbd2b1296c1898597a3 [0,2,0,1,0,0|1,0,0]=4 36972 B12R1.477 CO[C@H](C)COC[C@@H]1CCOC1 15ca34eab136527ab95e4fc688375e0e [0,2,0,1,0,0|1,0,0]=4 36973 B12R1.477 CO[C@H](C)COC[C@H]1CCCO1 3f863668270ae9dacfb3b5ad75a3b552 [0,2,0,1,0,0|1,0,0]=4 36974 B12R1.477 CO[C@H](C)COC[C@H]1CCOC1 e533753eaeb2b799265c61c384054112 [0,2,0,1,0,0|1,0,0]=4 36975 B12R1.477 C[C@@H](CO)CCNC1CCCC1 2da308e96284449f13f45bfd1f775590 [0,2,0,1,0,0|1,0,0]=4 36976 B12R1.477 ClCC(Cl)COCC1CCCC1 12fe9ed8fe240e0122403d5dce9b038e [0,2,0,1,0,0|1,0,0]=4 36977 B12R1.477 ClCC(Cl)COCC1CCCO1 fbf891153dec509579a8ae68ab60e74e [0,2,0,1,0,0|1,0,0]=4 36978 B12R1.477 ClCC(Cl)COCC1CCOC1 faaf9ce28a6e15e472cc68bbf7ed90cd [0,2,0,1,0,0|1,0,0]=4 36979 B12R1.477 OCC(O)CCNC1CCCC1 f1ff74ffe4ea323e1095027c3dcaa75a [0,2,0,1,0,0|1,0,0]=4 36980 B12R1.477 OCC(O)COCC1CCCC1 080bbe8a14f3e6d17a1813439c231a98 [0,2,0,1,0,0|1,0,0]=4 36981 B12R1.477 OCC(O)COCC1CCCO1 f84b9b14031d78397eb4e2fa232fe500 [0,2,0,1,0,0|1,0,0]=4 36982 B12R1.477 OCC(O)COCC1CCCS1 420f451613024180d48acfd71cecd439 [0,2,0,1,0,0|1,0,0]=4 36983 B12R1.477 OCC(O)COCC1CCOC1 440aab7c676edc7c3f051955c444e21e [0,2,0,1,0,0|1,0,0]=4 36984 B12R1.477 OCC(O)COCN1CCCC1 b99e2a2d869e3416478d216e90972fc2 [0,2,0,1,0,0|1,0,0]=4 36985 B12R1.477 OCC(O)COC[C@@H]1CCCO1 2dcfb70e4d8cb651aa054a678f9cde12 [0,2,0,1,0,0|1,0,0]=4 36986 B12R1.477 OCC(O)COC[C@@H]1CCOC1 c3d7384e2d11b47ba0009639c51b8f55 [0,2,0,1,0,0|1,0,0]=4 36987 B12R1.477 OCC(O)COC[C@H]1CCCO1 fc088f484369d2136feca27d9ea6b86a [0,2,0,1,0,0|1,0,0]=4 36988 B12R1.477 OCC(O)COC[C@H]1CCOC1 b228676966b0dbe703bf3c114c4df5ab [0,2,0,1,0,0|1,0,0]=4 36989 B12R1.477 OC[C@@H](O)COCC1CCCC1 4570c5ce5fe126b8ffec39381223e3ea [0,2,0,1,0,0|1,0,0]=4 36990 B12R1.477 OC[C@@H](O)COCC1CCCO1 9afe995c3d029a57f15f6fc8f4539b08 [0,2,0,1,0,0|1,0,0]=4 36991 B12R1.477 OC[C@@H](O)COCC1CCCS1 912b6edab95e4a4a0f1e63f56d775e61 [0,2,0,1,0,0|1,0,0]=4 36992 B12R1.477 OC[C@@H](O)COCC1CCOC1 594984614bbb70862ae0c1de8559b813 [0,2,0,1,0,0|1,0,0]=4 36993 B12R1.477 OC[C@@H](O)COCN1CCCC1 feaa1b2e00d06dfa40650ed4fd88fdb1 [0,2,0,1,0,0|1,0,0]=4 36994 B12R1.477 OC[C@@H](O)COC[C@@H]1CCCO1 127f8e24718d412e8e8759025aa76936 [0,2,0,1,0,0|1,0,0]=4 36995 B12R1.477 OC[C@@H](O)COC[C@@H]1CCOC1 ddc57eff951ac785db0487964a1f8d94 [0,2,0,1,0,0|1,0,0]=4 36996 B12R1.477 OC[C@@H](O)COC[C@H]1CCCO1 618e419a282b385b4a54b53148fd99e7 [0,2,0,1,0,0|1,0,0]=4 36997 B12R1.477 OC[C@@H](O)COC[C@H]1CCOC1 52c77f8311272a5d520aca893cba148b [0,2,0,1,0,0|1,0,0]=4 36998 B12R1.477 OC[C@H](O)COCC1CCCC1 dfc24742c401a4271a8e2cdb63b0e09e [0,2,0,1,0,0|1,0,0]=4 36999 B12R1.477 OC[C@H](O)COCC1CCCO1 c5d6791a8ee90e787a6348c6d6d4f5ec [0,2,0,1,0,0|1,0,0]=4 37000 B12R1.477 OC[C@H](O)COCC1CCCS1 31f1ff6256a16020f43859a1a64bd8fe [0,2,0,1,0,0|1,0,0]=4 37001 B12R1.477 OC[C@H](O)COCC1CCOC1 a279e583c72cfbdf20d0fec138e9bddc [0,2,0,1,0,0|1,0,0]=4 37002 B12R1.477 OC[C@H](O)COCN1CCCC1 7cc9e6ceca4ba51544a8d954b98330f7 [0,2,0,1,0,0|1,0,0]=4 37003 B12R1.477 OC[C@H](O)COC[C@@H]1CCCO1 b1a8540f5b54d3f17c1654d5506c729a [0,2,0,1,0,0|1,0,0]=4 37004 B12R1.477 OC[C@H](O)COC[C@@H]1CCOC1 7c7a2747a1d43f82646d8376eee7ca66 [0,2,0,1,0,0|1,0,0]=4 37005 B12R1.477 OC[C@H](O)COC[C@H]1CCCO1 ecd8ed0ee3248d8e7060150055c5fdec [0,2,0,1,0,0|1,0,0]=4 37006 B12R1.477 OC[C@H](O)COC[C@H]1CCOC1 6550fd1459e0ca4437fff8af7be15045 [0,2,0,1,0,0|1,0,0]=4 37007 B12R1.477 SCC(S)COCC1CCCC1 15275a5b4b3b3c52fb2194b2bb6dde1c [0,2,0,1,0,0|1,0,0]=4 37008 B12R1.477 SCC(S)COCC1CCCO1 f127f37675e0fb49b1898f2928acff46 [0,2,0,1,0,0|1,0,0]=4 37009 B12R1.477 SCC(S)COCC1CCOC1 f5692c742432cfa933f2cf7d8e550932 [0,2,0,1,0,0|1,0,0]=4 37010 B12R1.532 CCC(C)CN1C[C@@H](C[C@@H]1C)F 3de01b8187787c60bc510a543d3adbea [0,2,0,1,0,0|1,0,0]=4 37011 B12R1.532 CCC(C)CN1C[C@@H](C[C@@H]1C)O b6b1cf7621a1434219153878f888cd98 [0,2,0,1,0,0|1,0,0]=4 37012 B12R1.532 CCC(C)CN1C[C@@H](C[C@H]1C)F cf8718c3a2214b7515492c1c7eae503e [0,2,0,1,0,0|1,0,0]=4 37013 B12R1.532 CCC(C)CN1C[C@@H](C[C@H]1C)O 51aa7771660d64f123977ba609aadca0 [0,2,0,1,0,0|1,0,0]=4 37014 B12R1.532 CCC(C)CN1C[C@H](C[C@@H]1C)F 6cd34ab621dc5a357827466062cb64f9 [0,2,0,1,0,0|1,0,0]=4 37015 B12R1.532 CCC(C)CN1C[C@H](C[C@@H]1C)O 530c7e850107c2315e4588babcc685d9 [0,2,0,1,0,0|1,0,0]=4 37016 B12R1.532 CCC(C)CN1C[C@H](C[C@H]1C)F 96065f42f2ce5c18d7c13932e53c4e52 [0,2,0,1,0,0|1,0,0]=4 37017 B12R1.532 CCC(C)CN1C[C@H](C[C@H]1C)O e2a72f0c63e34a316f8cdd51c9b96dff [0,2,0,1,0,0|1,0,0]=4 37018 B12R1.532 CCC(O)CN1C[C@@H](C[C@@H]1C)F 06acf44dc22c8adb7c3de1fc2885c3dd [0,2,0,1,0,0|1,0,0]=4 37019 B12R1.532 CCC(O)CN1C[C@@H](C[C@@H]1C)O 1b17bdc558f62edcc4f3856dccfa033a [0,2,0,1,0,0|1,0,0]=4 37020 B12R1.532 CCC(O)CN1C[C@@H](C[C@H]1C)F 37a281fc57854b1a514a37d2c26607de [0,2,0,1,0,0|1,0,0]=4 37021 B12R1.532 CCC(O)CN1C[C@@H](C[C@H]1C)O 8772a27f9b0088fcba964b4e37df39f1 [0,2,0,1,0,0|1,0,0]=4 37022 B12R1.532 CCC(O)CN1C[C@H](C[C@@H]1C)F 16f75a0564d050fa9f81776bdb019102 [0,2,0,1,0,0|1,0,0]=4 37023 B12R1.532 CCC(O)CN1C[C@H](C[C@@H]1C)O e9dbb1f70515504c9a2233a87b36e900 [0,2,0,1,0,0|1,0,0]=4 37024 B12R1.532 CCC(O)CN1C[C@H](C[C@H]1C)F 2d55d83051dfe308d91a6922bd906269 [0,2,0,1,0,0|1,0,0]=4 37025 B12R1.532 CCC(O)CN1C[C@H](C[C@H]1C)O c8a275360727c8163b71c39d8bc7bdfb [0,2,0,1,0,0|1,0,0]=4 37026 B12R1.532 CC[C@@H](C)CN1C[C@@H](C[C@@H]1C)F 375e0b811aab180597a40eaa5ad9a919 [0,2,0,1,0,0|1,0,0]=4 37027 B12R1.532 CC[C@@H](C)CN1C[C@@H](C[C@@H]1C)O 5c1f9a26e23fd397af02f44411c7ea0a [0,2,0,1,0,0|1,0,0]=4 37028 B12R1.532 CC[C@@H](C)CN1C[C@@H](C[C@H]1C)F 2b4fcd7d43b99d33b6a8900683b19cc5 [0,2,0,1,0,0|1,0,0]=4 37029 B12R1.532 CC[C@@H](C)CN1C[C@@H](C[C@H]1C)O 64047accb61f169d6baec863fd5446f5 [0,2,0,1,0,0|1,0,0]=4 37030 B12R1.532 CC[C@@H](C)CN1C[C@H](C[C@@H]1C)F 49611e5888ee852bd421659eb3aee4b2 [0,2,0,1,0,0|1,0,0]=4 37031 B12R1.532 CC[C@@H](C)CN1C[C@H](C[C@@H]1C)O aa1c757f50af2d57255a6e004c52aeee [0,2,0,1,0,0|1,0,0]=4 37032 B12R1.532 CC[C@@H](C)CN1C[C@H](C[C@H]1C)F e78be5eae2168902efd67ce4988bc46a [0,2,0,1,0,0|1,0,0]=4 37033 B12R1.532 CC[C@@H](C)CN1C[C@H](C[C@H]1C)O 96886604e7a0d7a2262007f3f0bd1c4c [0,2,0,1,0,0|1,0,0]=4 37034 B12R1.532 CC[C@H](C)CN1C[C@@H](C[C@@H]1C)F 0b26e52e38f4df4abe05efeacbd34313 [0,2,0,1,0,0|1,0,0]=4 37035 B12R1.532 CC[C@H](C)CN1C[C@@H](C[C@@H]1C)O 4f943357b37afb164e4a17f5c37a9103 [0,2,0,1,0,0|1,0,0]=4 37036 B12R1.532 CC[C@H](C)CN1C[C@@H](C[C@H]1C)F b79c3dae3154278c768a573b02b8aa24 [0,2,0,1,0,0|1,0,0]=4 37037 B12R1.532 CC[C@H](C)CN1C[C@@H](C[C@H]1C)O 695f1ef9a72f9e017b07370ac6bf873f [0,2,0,1,0,0|1,0,0]=4 37038 B12R1.532 CC[C@H](C)CN1C[C@H](C[C@@H]1C)F 77234b442875a2fe3751dc9630538449 [0,2,0,1,0,0|1,0,0]=4 37039 B12R1.532 CC[C@H](C)CN1C[C@H](C[C@@H]1C)O 0bbfac8a3fac9b018b56c8261db6de5e [0,2,0,1,0,0|1,0,0]=4 37040 B12R1.532 CC[C@H](C)CN1C[C@H](C[C@H]1C)F b39ac5c67793803cdd18c5fe18d2ca5a [0,2,0,1,0,0|1,0,0]=4 37041 B12R1.532 CC[C@H](C)CN1C[C@H](C[C@H]1C)O 4a212a566ba6396a117bda411de7579f [0,2,0,1,0,0|1,0,0]=4 37042 B12R1.1527 CC1(CC1)COC[C@@H](O)CCO a6f0213f93dc9d79c1924c6f28788a3d [0,2,0,1,0,0|1,0,0]=4 37043 B12R1.1527 CCCC(=O)COCC1(CC1)Br 595bccdd3187eb557d167db50db8a49e [0,2,0,1,0,0|0,0,1]=4 37044 B12R1.1527 CCCC(=O)COCC1(CC1)C 00b1c18049b7e4814fde4355cfe00db2 [0,2,0,1,0,0|0,0,1]=4 37045 B12R1.1527 CCCC(=O)COCC1(CC1)Cl c46b0dc37a76ba8569e5aca8d1539eba [0,2,0,1,0,0|0,0,1]=4 37046 B12R1.1527 CCCC(=O)COCC1(CC1)F 8003a5a8fd82b132ac913eec425b1b14 [0,2,0,1,0,0|0,0,1]=4 37047 B12R1.1527 CCCC(C)CNCC1(CC1)F 0b38940c831a89cafc8da0ed84f8f07c [0,2,0,1,0,0|1,0,0]=4 37048 B12R1.1527 CCCC(C)CNCC1(CC1)O 98d0c389d93b03474bc04506c650c331 [0,2,0,1,0,0|1,0,0]=4 37049 B12R1.1527 CCCC(C)COCC1(CC1)Br 1c9c562be853dc50bee68dcba699a59f [0,2,0,1,0,0|0,0,0]=3 37050 B12R1.1527 CCCC(C)COCC1(CC1)C 475572d4a5109e0b609bee9a574a1ac3 [0,2,0,1,0,0|0,0,0]=3 37051 B12R1.1527 CCCC(C)COCC1(CC1)Cl 88328a090d33b2f81f1280332f86de37 [0,2,0,1,0,0|0,0,0]=3 37052 B12R1.1527 CCCC(C)COCC1(CC1)F d8775dc36416f0f4251ec56671a5992d [0,2,0,1,0,0|0,0,0]=3 37053 B12R1.1527 CCCC(C)NCCC1(CC1)O b60958bc10cf5d58c15fe8cd02456bec [0,2,0,1,0,0|1,0,0]=4 37054 B12R1.1527 CCCC(O)CNCC1(CC1)C a99cf8fccf21c887259f9b42ae757190 [0,2,0,1,0,0|1,0,0]=4 37055 B12R1.1527 CCCC(O)CNCC1(CC1)F ff440fcd7c27469bed3b969fe5251810 [0,2,0,1,0,0|1,0,0]=4 37056 B12R1.1527 CCOC(C)COCC1(CC1)C 7128989e593fd69a2e8122bf2fbf4716 [0,2,0,1,0,0|1,0,0]=4 37057 B12R1.1527 CCOC(C)COCC1(CC1)F c22f4b2d505226e835dce900f268534f [0,2,0,1,0,0|1,0,0]=4 37058 B12R1.1527 COCC(C)COCC1(CC1)C 2b63ecc31716b60b38529772d35a5017 [0,2,0,1,0,0|1,0,0]=4 37059 B12R1.1527 COCC(C)OCCC1(CC1)C c87ddde880cc5113a8321ae45966e721 [0,2,0,1,0,0|1,0,0]=4 37060 B12R1.1527 COC[C@H](C)COCC1(CC1)C 98517cbd1f570ce42aaa5d3d2c0677d4 [0,2,0,1,0,0|1,0,0]=4 37061 B12R1.1527 OCC[C@H](O)COCC1(CC1)Br ace2d5a4477fe5a8c2da93c87ecf1e95 [0,2,0,1,0,0|1,0,0]=4 37062 B12R1.1527 OCC[C@H](O)COCC1(CC1)Cl dbe71f3d7dd81b7e80ede605583b47b0 [0,2,0,1,0,0|1,0,0]=4 37063 B12R1.1527 OCC[C@H](O)COCC1(CC1)F 93f8cbffc75fab846e209753b60ffbfa [0,2,0,1,0,0|1,0,0]=4 37064 B12R1.1579 CCCC(C)N1CCC(C1C)O 55227b28e78ce3b10545a9e7dad59747 [0,2,0,1,0,0|1,0,0]=4 37065 B12R1.1579 CCCC(C)N1CC[C@@H]([C@@H]1C)O 81ce9effa6abf855b6c2b7755464c568 [0,2,0,1,0,0|1,0,0]=4 37066 B12R1.1579 CCCC(C)N1CC[C@H]([C@H]1C)O 212f5cbb0555654210a7679c2e9de2ce [0,2,0,1,0,0|1,0,0]=4 37067 B12R1.1689 C=C(CC)COCC(C)C1CC1 4fe9c964d5add068aedfa2b70b3b77d9 [0,2,0,1,0,0|0,0,1]=4 37068 B12R1.1689 CC(COCC(O)CO)C1CC1 b551fe77cffc36f256aa7cf1ef9c9854 [0,2,0,1,0,0|1,0,0]=4 37069 B12R1.1689 CC(COC[C@@H](O)CO)C1CC1 dd1f1676f45c9f40d4bc0517c2699f3a [0,2,0,1,0,0|1,0,0]=4 37070 B12R1.1689 CC(COC[C@H](O)CO)C1CC1 8aee21843221097386698df4a6454ba5 [0,2,0,1,0,0|1,0,0]=4 37071 B12R1.1689 CCC(=O)COCC(C)C1CC1 7d96e4986bb9e328efd2790eca97a2cd [0,2,0,1,0,0|0,0,1]=4 37072 B12R1.1689 CCC(C)CCNC(C)C1CC1 1b7d51bc9da67078fc069fea0adf64c0 [0,2,0,1,0,0|1,0,0]=4 37073 B12R1.1689 CCC(C)CCN[C@@H](C)C1CC1 ba7961b176858fb26ea179d976199de6 [0,2,0,1,0,0|1,0,0]=4 37074 B12R1.1689 CCC(C)CCN[C@H](C)C1CC1 71b1116513958baef18380f3e0e7c4e5 [0,2,0,1,0,0|1,0,0]=4 37075 B12R1.1689 CCC(C)CCOC(C)C1CC1 593fa48717a3735f2a073996199d9ef4 [0,2,0,1,0,0|0,0,0]=3 37076 B12R1.1689 CCC(C)CCO[C@@H](C)C1CC1 db1fd2b975b42eec17f45274b3c020c4 [0,2,0,1,0,0|0,0,0]=3 37077 B12R1.1689 CCC(C)CCO[C@H](C)C1CC1 e5e050495e69f7f99b935dd458ca9115 [0,2,0,1,0,0|0,0,0]=3 37078 B12R1.1689 CCC(C)CNCC(O)C1CC1 ddc9076471c62d8bd44d8ccd3ee5942b [0,2,0,1,0,0|1,0,0]=4 37079 B12R1.1689 CCC(C)COCC(=O)C1CC1 1ca2286e84e8ceb09a635c856b50ad90 [0,2,0,1,0,0|0,0,1]=4 37080 B12R1.1689 CCC(C)COCC(C)C1CC1 7c33631fa90e1bf94c94035fb1ce8509 [0,2,0,1,0,0|0,0,0]=3 37081 B12R1.1689 CCC(O)CNCC(O)C1CC1 a2344c76b864dbf2c7b2aaec4f35457a [0,2,0,1,0,0|1,0,0]=4 37082 B12R1.1689 CCC(S)CCOC(C)C1CC1 bc4502dd699fb1bea534f4f02d406758 [0,2,0,1,0,0|0,0,0]=3 37083 B12R1.1689 CCS(=O)CCOC(C)C1CC1 1f001e245c7ca0445d57f78d0b0280d9 [0,2,0,1,0,0|1,0,0]=4 37084 B12R1.1689 CCS(=O)CCO[C@@H](C)C1CC1 a26e90a9e2c76c4c2c0db17b005bf233 [0,2,0,1,0,0|1,0,0]=4 37085 B12R1.1689 CCS(=O)CCO[C@H](C)C1CC1 fcc4d9fc1d3d43bf034b708e2128c05b [0,2,0,1,0,0|1,0,0]=4 37086 B12R1.1689 CC[C@@H](C)CNCC(O)C1CC1 211a107bd40cdddc84ca0685ecfabf0d [0,2,0,1,0,0|1,0,0]=4 37087 B12R1.1689 CC[C@@H](C)COCC(=O)C1CC1 644922c5261e2502ea1ccddb4c03f274 [0,2,0,1,0,0|0,0,1]=4 37088 B12R1.1689 CC[C@@H](C)COCC(C)C1CC1 0663d37a0954bef9e135947b26914715 [0,2,0,1,0,0|0,0,0]=3 37089 B12R1.1689 CC[C@@H](O)CNCC(O)C1CC1 9bfdef5dff9c78cd99122ae0709417fb [0,2,0,1,0,0|1,0,0]=4 37090 B12R1.1689 CC[C@H](C)CCOC(C)C1CC1 c12e88013d1daa535c1b85078393276d [0,2,0,1,0,0|0,0,0]=3 37091 B12R1.1689 CC[C@H](C)CNCC(O)C1CC1 40baefc03f3bff181024bb730e0ae0ca [0,2,0,1,0,0|1,0,0]=4 37092 B12R1.1689 CC[C@H](C)COCC(=O)C1CC1 9adfc63d8ff92d9dbf65805952cfe3ef [0,2,0,1,0,0|0,0,1]=4 37093 B12R1.1689 CC[C@H](C)COCC(C)C1CC1 677dbf4f3516e66a21390068142db3ba [0,2,0,1,0,0|0,0,0]=3 37094 B12R1.1689 COC(C)CCOC(C)C1CC1 5ff8caa3c6d9a97b0c0c018c4600983e [0,2,0,1,0,0|1,0,0]=4 37095 B12R1.1689 COC(C)COCC(C)C1CC1 2cd019ff8542aad650a410b634d0ceb8 [0,2,0,1,0,0|1,0,0]=4 37096 B12R1.1689 CO[C@@H](C)COCC(C)C1CC1 5c86677f76b6020d2826d8058780db8c [0,2,0,1,0,0|1,0,0]=4 37097 B12R1.1689 CO[C@H](C)COCC(C)C1CC1 ca28c3d4d6a22ff9e4605282c92450c0 [0,2,0,1,0,0|1,0,0]=4 37098 B12R1.1838 CCC(C)CCN1C(CC1C)C 852017c539123ae12d6750d59a6bb2ef [0,2,0,1,0,0|1,0,0]=4 37099 B12R1.1838 CCC(C)CCN1[C@@H](C[C@@H]1C)C 9fca5188d2f886908dc4ed85d7ea6680 [0,2,0,1,0,0|1,0,0]=4 37100 B12R1.1838 CCC(C)CCN1[C@@H](C[C@H]1C)C 640a60e77177ce5c041a76155bcbed41 [0,2,0,1,0,0|1,0,0]=4 37101 B12R1.1838 CCC(C)CCN1[C@H](C[C@@H]1C)C caee8a7c1cf6e2c7f1970b070a2d59ac [0,2,0,1,0,0|1,0,0]=4 37102 B12R1.1849 C=C(CC)COCC1(CCC1)C 94132ac13b0c7d44d0e5193b6f3af9aa [0,2,0,1,0,0|0,0,1]=4 37103 B12R1.1849 C=C(CC)COCC1(CCC1)F 4b1094ab793d86fc49024e0d6f48b1e4 [0,2,0,1,0,0|0,0,1]=4 37104 B12R1.1849 CC1(CCC1)COCC(Br)CBr 9239559ba71831a60ed1dd08d96ba691 [0,2,0,1,0,0|1,0,0]=4 37105 B12R1.1849 CC1(CCC1)COCC(Cl)CCl fe00eca80a03bc578e15c1cd9b497637 [0,2,0,1,0,0|1,0,0]=4 37106 B12R1.1849 CC1(CCC1)COCC(O)CO 032be4f81e53fe0542ee6048f4661625 [0,2,0,1,0,0|1,0,0]=4 37107 B12R1.1849 CC1(CCC1)COCC(S)CS 0b903095b1d7130a208c4a3e7128962e [0,2,0,1,0,0|1,0,0]=4 37108 B12R1.1849 CC1(CCC1)COC[C@@H](O)CO 66e28eba5488f8468a13e19e5fa5b2cb [0,2,0,1,0,0|1,0,0]=4 37109 B12R1.1849 CC1(CCC1)COC[C@H](O)CO 0b4373aa13021b42db4a9f2f303dd507 [0,2,0,1,0,0|1,0,0]=4 37110 B12R1.1849 CCC(=O)COCC1(CCC1)C 583e5c140c4b6c27a407129b36202e72 [0,2,0,1,0,0|0,0,1]=4 37111 B12R1.1849 CCC(=O)COCC1(CCC1)F 09e7b145be403113473cfc52ee6fcc83 [0,2,0,1,0,0|0,0,1]=4 37112 B12R1.1849 CCC(C)CCNC1(CCC1)C 30813f3ce64c055d5a79bb569dc93a3e [0,2,0,1,0,0|1,0,0]=4 37113 B12R1.1849 CCC(C)CNCC1(CCC1)C 0ba73a11b8edfebf9eed26044988605d [0,2,0,1,0,0|1,0,0]=4 37114 B12R1.1849 CCC(C)CNCC1(CCC1)O 2523c3dacb46919e719dc22926888735 [0,2,0,1,0,0|1,0,0]=4 37115 B12R1.1849 CCC(C)COCC1(CCC1)C b7efde95e4a60444b4e7335f4b8e9664 [0,2,0,1,0,0|0,0,0]=3 37116 B12R1.1849 CCC(C)COCC1(CCC1)F f38d5108c2681603a0dd4a876074e6a5 [0,2,0,1,0,0|0,0,0]=3 37117 B12R1.1849 CCC(C)COCC1(CCO1)C 602fd7f16b1c9065c072b4bc368fc516 [0,2,0,1,0,0|1,0,0]=4 37118 B12R1.1849 CCC(C)COCC1(COC1)C 99c50294b08a5d549371c7b5d15d412c [0,2,0,1,0,0|1,0,0]=4 37119 B12R1.1849 CCC(C)COCC1(COC1)F 2433240d7c82dd4cb96a0882e066e75c [0,2,0,1,0,0|1,0,0]=4 37120 B12R1.1849 CCC(C)COCC1(CSC1)C 5ecd3c25b91e3df369ce97e1510cfcd8 [0,2,0,1,0,0|1,0,0]=4 37121 B12R1.1849 CCC(C)COC[C@@]1(CCO1)C 20d8441833b5838f09d813ced53d8875 [0,2,0,1,0,0|1,0,0]=4 37122 B12R1.1849 CCC(C)COC[C@]1(CCO1)C f5403a07d7495314fd04a98e938a4748 [0,2,0,1,0,0|1,0,0]=4 37123 B12R1.1849 CCC(O)CNCC1(CCC1)C 653fce34ab7c9c995aa5493c357415c2 [0,2,0,1,0,0|1,0,0]=4 37124 B12R1.1849 CCC(O)CNCC1(CCC1)O 46c245f4e22bc02c185e4b0d2333011d [0,2,0,1,0,0|1,0,0]=4 37125 B12R1.1849 CC[C@@H](C)CNCC1(CCC1)O 356a62e8c2dd9ffa0f17377e4c3dee13 [0,2,0,1,0,0|1,0,0]=4 37126 B12R1.1849 CC[C@@H](C)COCC1(CCC1)C 7d2b29a6ad58317ca11fbf4ee189092f [0,2,0,1,0,0|0,0,0]=3 37127 B12R1.1849 CC[C@@H](C)COCC1(CCC1)F 8c5f1e8e00a58498588e06218900211e [0,2,0,1,0,0|0,0,0]=3 37128 B12R1.1849 CC[C@@H](C)COCC1(CCO1)C 6084554399a69f20f4bea87dceaf1ab5 [0,2,0,1,0,0|1,0,0]=4 37129 B12R1.1849 CC[C@@H](C)COCC1(COC1)C cee14833034ffa7fdce0799e7ba74bc7 [0,2,0,1,0,0|1,0,0]=4 37130 B12R1.1849 CC[C@@H](C)COCC1(COC1)F 5d33e90f36ed99239dff65da1c7ba972 [0,2,0,1,0,0|1,0,0]=4 37131 B12R1.1849 CC[C@@H](C)COCC1(CSC1)C 2dfc0533ea191b35585759b7fa8748b3 [0,2,0,1,0,0|1,0,0]=4 37132 B12R1.1849 CC[C@@H](C)COC[C@@]1(CCO1)C 9febfe7f3376b538e805ab32932359e8 [0,2,0,1,0,0|1,0,0]=4 37133 B12R1.1849 CC[C@@H](C)COC[C@]1(CCO1)C 2acfd32bda9216d08b95cc4c27d71cbc [0,2,0,1,0,0|1,0,0]=4 37134 B12R1.1849 CC[C@@H](O)CNCC1(CCC1)C e2bf9e40b087f86a054d7aa3ee20c75b [0,2,0,1,0,0|1,0,0]=4 37135 B12R1.1849 CC[C@H](C)CNCC1(CCC1)C 8d865e83444a83c7c6852e8fce0cbec0 [0,2,0,1,0,0|1,0,0]=4 37136 B12R1.1849 CC[C@H](C)CNCC1(CCC1)O 5414bf417c3b1cc1e7f5eea9e724329e [0,2,0,1,0,0|1,0,0]=4 37137 B12R1.1849 CC[C@H](C)COCC1(CCC1)C 056555931bb92cd81f3f50b30fda7983 [0,2,0,1,0,0|0,0,0]=3 37138 B12R1.1849 CC[C@H](C)COCC1(CCC1)F ee0134aa0fe3a7502ec47085ba31d80c [0,2,0,1,0,0|0,0,0]=3 37139 B12R1.1849 CC[C@H](C)COCC1(CCO1)C 97a2da42cff000576e2dbf8ab214048e [0,2,0,1,0,0|1,0,0]=4 37140 B12R1.1849 CC[C@H](C)COCC1(COC1)C 5d74d77067e32c90bd88a81ff1329ad1 [0,2,0,1,0,0|1,0,0]=4 37141 B12R1.1849 CC[C@H](C)COCC1(COC1)F e8c440f4ac8baf864c3b00296aa5c2b1 [0,2,0,1,0,0|1,0,0]=4 37142 B12R1.1849 CC[C@H](C)COCC1(CSC1)C 59e40373665a57d6b6284d05686d017c [0,2,0,1,0,0|1,0,0]=4 37143 B12R1.1849 CC[C@H](C)COC[C@@]1(CCO1)C 2187eedcb3634ca132e6d6c15400a3a2 [0,2,0,1,0,0|1,0,0]=4 37144 B12R1.1849 CC[C@H](C)COC[C@]1(CCO1)C 97c246c39d47208c2d816c012fc2cd3f [0,2,0,1,0,0|1,0,0]=4 37145 B12R1.1849 COC(C)COCC1(CCC1)C d6025d3c0d0106435e29b258f4529793 [0,2,0,1,0,0|1,0,0]=4 37146 B12R1.1849 COC(C)COCC1(CCC1)F bb819f62ba826953000b36bc4a92bb4c [0,2,0,1,0,0|1,0,0]=4 37147 B12R1.1849 CO[C@@H](C)COCC1(CCC1)C 4829e36c60b195e2273cdb6891df7654 [0,2,0,1,0,0|1,0,0]=4 37148 B12R1.1849 CO[C@@H](C)COCC1(CCC1)F d476ce57a53d665291b5d721da67bfd5 [0,2,0,1,0,0|1,0,0]=4 37149 B12R1.1849 CO[C@H](C)COCC1(CCC1)C ba9c24aa551b56ca6f9b67ba03fed60f [0,2,0,1,0,0|1,0,0]=4 37150 B12R1.1849 CO[C@H](C)COCC1(CCC1)F f419de91d92e7eb2b5c58a47957b06ba [0,2,0,1,0,0|1,0,0]=4 37151 B12R1.1849 OCC(O)COCC1(CCC1)F c130163e18bdd3a98063713a92a1ab49 [0,2,0,1,0,0|1,0,0]=4 37152 B12R1.1849 OC[C@@H](O)COCC1(CCC1)F 4bf306efd17dd798231e09f166faaf87 [0,2,0,1,0,0|1,0,0]=4 37153 B12R1.1849 OC[C@H](O)COCC1(CCC1)F 6e15708e99eeb609d98e934d0c1658f6 [0,2,0,1,0,0|1,0,0]=4 37154 B12R1.3605 CCC(C)COCC1(CC1F)C 22bf3fb35e08d638ad0f17e344810a58 [0,2,0,1,0,0|1,0,0]=4 37155 B12R1.3605 CC[C@@H](C)COCC1(CC1F)C 824a35c701290342d90b849ad3238511 [0,2,0,1,0,0|1,0,0]=4 37156 B12R1.3605 CC[C@H](C)COCC1(CC1F)C 1f409445a8755e9badee79cfcb2a4195 [0,2,0,1,0,0|1,0,0]=4 37157 B12R1.130 C=C(C)CCCN1CCCC1C 0bf0179a4cc952c8c1c04d7181eae5ef [0,2,0,1,0,0|1,0,0]=4 37158 B12R1.130 C=C(C)CCCN1CCC[C@@H]1C fbfa3e5ac6f2424f2855b4728971f0c5 [0,2,0,1,0,0|1,0,0]=4 37159 B12R1.130 C=C(C)CCCN1CCC[C@H]1C 6d4215e5f4e150bfd8e2e6240e1fb60c [0,2,0,1,0,0|1,0,0]=4 37160 B12R1.130 C=C(C)CCOC1CCCC1C 5c69adb2c551559124561be80e218fd5 [0,2,0,1,0,0|0,0,1]=4 37161 B12R1.130 C=C(C)CCOC1COCC1C c94fd62b4e450917e98c94303183ac3c [0,2,0,1,0,0|0,0,1]=4 37162 B12R1.130 C=C(C)CCO[C@@H]1CCC[C@@H]1C 4494d533f5ad24043dfcbfc29efd5cf4 [0,2,0,1,0,0|0,0,1]=4 37163 B12R1.130 C=C(C)CCO[C@@H]1CCC[C@H]1C a89a7f569f60e7024f3070162610b0d5 [0,2,0,1,0,0|0,0,1]=4 37164 B12R1.130 C=C(C)CCO[C@@H]1CCC[C@H]1F f034127af3ab5405c73a085356c408b5 [0,2,0,1,0,0|0,0,1]=4 37165 B12R1.130 C=C(C)CCO[C@@H]1COC[C@@H]1C 7f4416eeb030780ff30acee6069f8189 [0,2,0,1,0,0|0,0,1]=4 37166 B12R1.130 C=C(C)CCO[C@H]1CCC[C@@H]1C e98ae2a6b0804cd22801f0a06031ec1e [0,2,0,1,0,0|0,0,1]=4 37167 B12R1.130 C=C(C)CCO[C@H]1CCC[C@H]1C 9bee8219b16e5ac5c835639c1fafb463 [0,2,0,1,0,0|0,0,1]=4 37168 B12R1.130 C=C(C)CCO[C@H]1COC[C@@H]1C b15c6d6a31660ce45b495d9a1cc068b8 [0,2,0,1,0,0|0,0,1]=4 37169 B12R1.130 C=C(C)CCO[C@H]1COC[C@H]1C 02797664d6ab1ed0839c02d59df60be3 [0,2,0,1,0,0|0,0,1]=4 37170 B12R1.130 C=C(C)COCC1OCCC1C 38dd0f62c19639c6d57360012f4db5a5 [0,2,0,1,0,0|0,0,1]=4 37171 B12R1.130 CC(=O)CCCN1CCCC1C dde1b9e8bf9567e285903739a6c286ae [0,2,0,1,0,0|1,0,0]=4 37172 B12R1.130 CC(=O)CCCN1CCC[C@@H]1C 841c2ca72e401772975f412cbbeaf059 [0,2,0,1,0,0|1,0,0]=4 37173 B12R1.130 CC(=O)CCCN1CCC[C@H]1C ece84e5b96312ca830d8301458815d8e [0,2,0,1,0,0|1,0,0]=4 37174 B12R1.130 CC(=O)CCOC1CCCC1C 6505f58b02c1b7d1fccd4e6f2ac4e698 [0,2,0,1,0,0|0,0,1]=4 37175 B12R1.130 CC(=O)CCOC1COCC1C 2a51f8de2053e188a8bec4a43e2aae3b [0,2,0,1,0,0|0,0,1]=4 37176 B12R1.130 CC(=O)CCO[C@@H]1CCC[C@@H]1C 10170fa43a42ea03c9690273b1ba218b [0,2,0,1,0,0|0,0,1]=4 37177 B12R1.130 CC(=O)CCO[C@@H]1CCC[C@H]1C bc11a5203dce1a29031dfaae7e29317f [0,2,0,1,0,0|0,0,1]=4 37178 B12R1.130 CC(=O)CCO[C@@H]1CCC[C@H]1F 43405bde2fd486f0b3991e6717eaf5a2 [0,2,0,1,0,0|0,0,1]=4 37179 B12R1.130 CC(=O)CCO[C@@H]1COC[C@@H]1C 4aeace805e50dfa60df9afb679be1468 [0,2,0,1,0,0|0,0,1]=4 37180 B12R1.130 CC(=O)CCO[C@H]1CCC[C@@H]1C d000d93c64f2d120135215c4a01f5222 [0,2,0,1,0,0|0,0,1]=4 37181 B12R1.130 CC(=O)CCO[C@H]1CCC[C@H]1C 9d947f9876e261829479ad15dbb43e98 [0,2,0,1,0,0|0,0,1]=4 37182 B12R1.130 CC(=O)CCO[C@H]1COC[C@@H]1C 283806a0760382e21cf0057ccb83f379 [0,2,0,1,0,0|0,0,1]=4 37183 B12R1.130 CC(=O)CCO[C@H]1COC[C@H]1C cc1e0aaaacb8529130b6a0548f88bfff [0,2,0,1,0,0|0,0,1]=4 37184 B12R1.130 CC(C)CCCN1CCCC1C 86c6457b56f5b43104eb36ca56f1664d [0,2,0,1,0,0|1,0,0]=4 37185 B12R1.130 CC(C)CCCN1CCCC1O 7bd1e4a81b15d696e7ff17608757eb59 [0,2,0,1,0,0|1,0,0]=4 37186 B12R1.130 CC(C)CCCN1CCC[C@@H]1C 2a6480cb4a97f3b4a88d0aa57275c736 [0,2,0,1,0,0|1,0,0]=4 37187 B12R1.130 CC(C)CCCN1CCC[C@H]1C 91043a8cc4b5b430988c6886458c3da6 [0,2,0,1,0,0|1,0,0]=4 37188 B12R1.130 CC(C)CCCN1CCSC1C be09b8202b7b7002146e04d0a4cfc92c [0,2,0,1,0,0|1,0,0]=4 37189 B12R1.130 CC(C)CCNC1CCCC1O 9284c9257fd3048d771b0505ca494a8d [0,2,0,1,0,0|1,0,0]=4 37190 B12R1.130 CC(C)CCN[C@@H]1CCC[C@@H]1O 42e063ab015b88097fbcf6fb8bb43b83 [0,2,0,1,0,0|1,0,0]=4 37191 B12R1.130 CC(C)CCN[C@@H]1CCC[C@H]1O 1e0f6993404673a25f8a736675efcaac [0,2,0,1,0,0|1,0,0]=4 37192 B12R1.130 CC(C)CCN[C@H]1CCC[C@@H]1O 88ea5396e680b47c7a3bce810b533a7f [0,2,0,1,0,0|1,0,0]=4 37193 B12R1.130 CC(C)CCN[C@H]1CCC[C@H]1O d08690b357191e2fd0b0e8a705f0ea4d [0,2,0,1,0,0|1,0,0]=4 37194 B12R1.130 CC(C)CCOC1CCCC1=O d88d313049e0fc1e3ac7c43d24fe8987 [0,2,0,1,0,0|0,0,1]=4 37195 B12R1.130 CC(C)CCOC1CCCC1C 55ddd67b205cc87f9d8a4ecc513d91dd [0,2,0,1,0,0|0,0,0]=3 37196 B12R1.130 CC(C)CCOC1COCC1C 5383498a3f2fc072422193f4f30e592a [0,2,0,1,0,0|0,0,0]=3 37197 B12R1.130 CC(C)CCOC1COCC1F 2e15372a7815d5bf9fa063a737a5ec09 [0,2,0,1,0,0|1,0,0]=4 37198 B12R1.130 CC(C)CCO[C@@H]1CCC[C@@H]1C e59c1323e858c9c3d2bf317c0fd61c74 [0,2,0,1,0,0|0,0,0]=3 37199 B12R1.130 CC(C)CCO[C@@H]1CCC[C@H]1C 74ebbbf15f3e4aaeaaad525df6ba374f [0,2,0,1,0,0|0,0,0]=3 37200 B12R1.130 CC(C)CCO[C@@H]1CCC[C@H]1F 2c063e2512bbdb35ff7912c9bbbcf3a8 [0,2,0,1,0,0|0,0,0]=3 37201 B12R1.130 CC(C)CCO[C@@H]1COC[C@@H]1C c898f35037b6ef175c8912066caf6115 [0,2,0,1,0,0|0,0,0]=3 37202 B12R1.130 CC(C)CCO[C@@H]1COC[C@H]1F 6300b9ca893e3a15dbf4008ae44ae5d9 [0,2,0,1,0,0|1,0,0]=4 37203 B12R1.130 CC(C)CCO[C@H]1CCC[C@@H]1C 3ee8196bc72337edf7e94b77c0a3b3da [0,2,0,1,0,0|0,0,0]=3 37204 B12R1.130 CC(C)CCO[C@H]1CCC[C@H]1C c90c234a52c37dcb8b6930ea70082dd0 [0,2,0,1,0,0|0,0,0]=3 37205 B12R1.130 CC(C)CCO[C@H]1COC[C@@H]1C 8ce3e12148cc8388ed292f53cb388af8 [0,2,0,1,0,0|0,0,0]=3 37206 B12R1.130 CC(C)CCO[C@H]1COC[C@H]1C cb1fd625c78d46680976c8a798fbb091 [0,2,0,1,0,0|0,0,0]=3 37207 B12R1.130 CC(C)CCO[C@H]1COC[C@H]1F 415317d383aaac0b4c304ecaf3ef6489 [0,2,0,1,0,0|1,0,0]=4 37208 B12R1.130 CC(C)COCC1CCCC1C 25a379906e701179b1f1262eba327967 [0,2,0,1,0,0|1,0,0]=4 37209 B12R1.130 CC(C)COCC1OCCC1C 07e7621cca6e9d38993f0d2a48583845 [0,2,0,1,0,0|0,0,0]=3 37210 B12R1.130 CC(C)OCCN1CCCC1C f8df31cff2ddbd1c0ac9a8293ce011a4 [0,2,0,1,0,0|1,0,0]=4 37211 B12R1.130 CC(C)OCCN1CCC[C@@H]1C 62dc67f3f78da554fc31fde466d85896 [0,2,0,1,0,0|1,0,0]=4 37212 B12R1.130 CC(C)OCCN1CCC[C@H]1C e2d20ae7c0f1d34ab09e13860712c723 [0,2,0,1,0,0|1,0,0]=4 37213 B12R1.130 CC(C)OCOC1CCCC1C e4c9d7819ba65ac3e01113c70248bb04 [0,2,0,1,0,0|1,0,0]=4 37214 B12R1.130 CC(C)OCOC1COCC1C d51e0c5e5e51d4dbe8e637ac1371306c [0,2,0,1,0,0|1,0,0]=4 37215 B12R1.130 CC(C)OCO[C@@H]1CCC[C@@H]1C a3cf271d04faf5e4332d95abb6e3de10 [0,2,0,1,0,0|1,0,0]=4 37216 B12R1.130 CC(C)OCO[C@@H]1CCC[C@H]1C 188bd73cde6b0c3eb9ee7b4f04b3442f [0,2,0,1,0,0|1,0,0]=4 37217 B12R1.130 CC(C)OCO[C@@H]1CCC[C@H]1F 00b344aeb12ae8ec90a659187f2c447e [0,2,0,1,0,0|1,0,0]=4 37218 B12R1.130 CC(C)OCO[C@@H]1COC[C@@H]1C 5789d2102daef14ab7f72e86f1f7ae05 [0,2,0,1,0,0|1,0,0]=4 37219 B12R1.130 CC(C)OCO[C@H]1CCC[C@@H]1C eed40b8bd275ed94081208f395693df4 [0,2,0,1,0,0|1,0,0]=4 37220 B12R1.130 CC(C)OCO[C@H]1CCC[C@H]1C 130328a8dabcb5224dc1e361b707c089 [0,2,0,1,0,0|1,0,0]=4 37221 B12R1.130 CC(C)OCO[C@H]1COC[C@@H]1C 1ac49d52489ee7447c15e66e16a2dae9 [0,2,0,1,0,0|1,0,0]=4 37222 B12R1.130 CC(C)OCO[C@H]1COC[C@H]1C 0f9d16761457c78871830e9f596b91f9 [0,2,0,1,0,0|1,0,0]=4 37223 B12R1.130 CC(C)SCCN1CCCC1C 25610307aff45bfd0e6621755b8b44c0 [0,2,0,1,0,0|1,0,0]=4 37224 B12R1.130 CC(C)SCCN1CCC[C@@H]1C 51910affb98f74d598c3e30e885c18e5 [0,2,0,1,0,0|1,0,0]=4 37225 B12R1.130 CC(C)SCCN1CCC[C@H]1C b5d00616bb2c6dc59caa7a6387baccc0 [0,2,0,1,0,0|1,0,0]=4 37226 B12R1.130 CC(O)CCCN1CCCC1C 07bbfca7dbe2a9df3407be5bed30fc8f [0,2,0,1,0,0|1,0,0]=4 37227 B12R1.130 CC(O)CCCN1CCCC1O 954f474897226519601f90699ec378b2 [0,2,0,1,0,0|1,0,0]=4 37228 B12R1.130 CC(O)CCCN1CCC[C@@H]1C 3c81e812dd208d68c66e263556e377d5 [0,2,0,1,0,0|1,0,0]=4 37229 B12R1.130 CC(O)CCCN1CCC[C@H]1C 79c35954d2b06dbfbe9004387ccab7dd [0,2,0,1,0,0|1,0,0]=4 37230 B12R1.130 CC(O)CCCN1CCSC1C 500eed896d0bf71646f3451dffd7c777 [0,2,0,1,0,0|1,0,0]=4 37231 B12R1.130 CC(O)CCNC1CCCC1O f5d1b0f7ecfb0856bd2664891c9340df [0,2,0,1,0,0|1,0,0]=4 37232 B12R1.130 CC(O)CCN[C@@H]1CCC[C@@H]1O 51371093b255e2771cf70d9d40c884ce [0,2,0,1,0,0|1,0,0]=4 37233 B12R1.130 CC(O)CCN[C@@H]1CCC[C@H]1O 779192d309da7b474182bf2c7e8f267d [0,2,0,1,0,0|1,0,0]=4 37234 B12R1.130 CC(O)CCN[C@H]1CCC[C@@H]1O 8d618448ee96366f9ac1d4059b03a4ca [0,2,0,1,0,0|1,0,0]=4 37235 B12R1.130 CC(O)CCN[C@H]1CCC[C@H]1O dc32ea7bb42d3196fd6b8da427b03879 [0,2,0,1,0,0|1,0,0]=4 37236 B12R1.130 CC1CCCC1OCCN(C)C 6a0a3c6ff7c283028b0b2703a095c469 [0,2,0,1,0,0|1,0,0]=4 37237 B12R1.130 CC1CCCC1OCCS(=O)C 3f1ff7dbebcb89a252da68a4131f2bf4 [0,2,0,1,0,0|1,0,0]=4 37238 B12R1.130 CC1CCCN1CCCN(C)C 15368d320a92badcbce28f26651f5caa [0,2,0,1,0,0|1,0,0]=4 37239 B12R1.130 CC1CCOC1COCC(F)F 0147239016479f1cfd4f9cdaa3a791ea [0,2,0,1,0,0|1,0,0]=4 37240 B12R1.130 CC1CCOC1COCN(C)C ee9b16bf9516a32260c33ce01919bb3a [0,2,0,1,0,0|1,0,0]=4 37241 B12R1.130 CC1COCC1OCCN(C)C 41c4a3feca57be34ee4453d04eba379a [0,2,0,1,0,0|1,0,0]=4 37242 B12R1.130 CC1COCC1OCCS(=O)C 2650079b5ca098020bebd2f69d622d53 [0,2,0,1,0,0|1,0,0]=4 37243 B12R1.130 CN(C)CCO[C@@H]1CCC[C@H]1F 23246235fa057dd3a252a55cfee27bc9 [0,2,0,1,0,0|1,0,0]=4 37244 B12R1.130 CS(=O)CCO[C@@H]1CCC[C@H]1F 42038393db281ed4227eeb7cf1f2a14a [0,2,0,1,0,0|1,0,0]=4 37245 B12R1.130 C[C@@H](O)CCNC1CCCC1O b5d204413262c59430bbdfadd2a2b916 [0,2,0,1,0,0|1,0,0]=4 37246 B12R1.130 C[C@@H](O)CCN[C@@H]1CCC[C@H]1O 87c715507834a609269210877a8e3b66 [0,2,0,1,0,0|1,0,0]=4 37247 B12R1.130 C[C@@H](O)CCN[C@H]1CCC[C@@H]1O 9d4eb8817c33b5100968323895f19d3e [0,2,0,1,0,0|1,0,0]=4 37248 B12R1.130 C[C@@H]1CCCN1CCCN(C)C 7e6e2d04c90a8aada6d238a470808025 [0,2,0,1,0,0|1,0,0]=4 37249 B12R1.130 C[C@@H]1CCC[C@@H]1OCCN(C)C 64a9d80f288d08f8ce5d3900d70ab71d [0,2,0,1,0,0|1,0,0]=4 37250 B12R1.130 C[C@@H]1CCC[C@@H]1OCCS(=O)C ad9e559bd31d149078387f6619a2c645 [0,2,0,1,0,0|1,0,0]=4 37251 B12R1.130 C[C@@H]1CCC[C@H]1OCCN(C)C c4b2225fad837870364ed7d86e9c7e33 [0,2,0,1,0,0|1,0,0]=4 37252 B12R1.130 C[C@@H]1CCC[C@H]1OCCS(=O)C 21e9f9f61ac8cce50a24480cc06c8650 [0,2,0,1,0,0|1,0,0]=4 37253 B12R1.130 C[C@@H]1COC[C@@H]1OCCN(C)C 756a2f135bd4c855504c3523f4e2c680 [0,2,0,1,0,0|1,0,0]=4 37254 B12R1.130 C[C@@H]1COC[C@@H]1OCCS(=O)C 123228e5f791c89961d46460ebe8c9fc [0,2,0,1,0,0|1,0,0]=4 37255 B12R1.130 C[C@H](O)CCNC1CCCC1O 8d97f776b7be4beded535b9cf99ae1b9 [0,2,0,1,0,0|1,0,0]=4 37256 B12R1.130 C[C@H](O)CCN[C@@H]1CCC[C@H]1O 68f4b62ddeedb5747ad518f35090961c [0,2,0,1,0,0|1,0,0]=4 37257 B12R1.130 C[C@H](O)CCN[C@H]1CCC[C@@H]1O 2298f5ee00024db3a7095e3a5cd38323 [0,2,0,1,0,0|1,0,0]=4 37258 B12R1.130 C[C@H]1CCCN1CCCN(C)C a347a6b95ff876b8e568be3a5e238e37 [0,2,0,1,0,0|1,0,0]=4 37259 B12R1.130 C[C@H]1CCC[C@@H]1OCCN(C)C fc9b3dfed7b9836848db5acf533e8f82 [0,2,0,1,0,0|1,0,0]=4 37260 B12R1.130 C[C@H]1CCC[C@@H]1OCCS(=O)C af32a78aa8c4347432d952c8125b6fb2 [0,2,0,1,0,0|1,0,0]=4 37261 B12R1.130 C[C@H]1CCC[C@H]1OCCN(C)C 25fcc0085a2f95bb1b9fb2588be9c294 [0,2,0,1,0,0|1,0,0]=4 37262 B12R1.130 C[C@H]1CCC[C@H]1OCCS(=O)C 8fd067e2762b9d4640b3bb535dceaec0 [0,2,0,1,0,0|1,0,0]=4 37263 B12R1.130 C[C@H]1COC[C@@H]1OCCN(C)C de4d4db116ec0c5536732c40ef294145 [0,2,0,1,0,0|1,0,0]=4 37264 B12R1.130 C[C@H]1COC[C@@H]1OCCS(=O)C 98c44f40707a5e1e3984ec03a863f293 [0,2,0,1,0,0|1,0,0]=4 37265 B12R1.130 C[C@H]1COC[C@H]1OCCN(C)C 7f9cf999a7ea56387896bd824a922889 [0,2,0,1,0,0|1,0,0]=4 37266 B12R1.130 C[C@H]1COC[C@H]1OCCS(=O)C 9255f00c4b39f27e37291d58365fefc1 [0,2,0,1,0,0|1,0,0]=4 37267 B12R1.175 CCCC1CN(C1)CCC(C)C 1135d8af2ec23258c6f02e2382423d7e [0,2,0,1,0,0|1,0,0]=4 37268 B12R1.175 CCCC1CN(C1)CCC(C)O d36b978b6a8021ff64d807030425d7db [0,2,0,1,0,0|1,0,0]=4 37269 B12R1.188 COC[C@@H]1C[C@@H]1NCCC(C)C 83e6666d94fbe376c737c987519d6b84 [0,2,0,1,0,0|1,0,0]=4 37270 B12R1.188 COC[C@@H]1C[C@@H]1NCCC(C)O 3aa709b5ffbe056660506b7aaed04132 [0,2,0,1,0,0|1,0,0]=4 37271 B12R1.188 COC[C@H]1C[C@@H]1NCCC(C)C 639558ee53d9e9aa47b1c3c887dd29b9 [0,2,0,1,0,0|1,0,0]=4 37272 B12R1.188 COC[C@H]1C[C@@H]1NCCC(C)O 99cd53498e3c852e18e56d16f7ec98de [0,2,0,1,0,0|1,0,0]=4 37273 B12R1.220 C=C(C)CCCOC1CC(C1)C c5a7d61f3f6fb9cad496d12467d0ae82 [0,2,0,1,0,0|0,0,1]=4 37274 B12R1.220 C=C(C)CCCOC1CC(C1)F a0f90e1017fab3ffa4d07fc4df99b63b [0,2,0,1,0,0|0,0,1]=4 37275 B12R1.220 C=C(C)CCCO[C@H]1C[C@@H](C1)F 76786f54d485328f09cae5c4942f2b0f [0,2,0,1,0,0|0,0,1]=4 37276 B12R1.220 C=C(C)CCCO[C@H]1C[C@H](C1)F 69854eee3c59415a63e239114584eb19 [0,2,0,1,0,0|0,0,1]=4 37277 B12R1.220 C=C(C)CCOCC1CC(C1)C b9cc26b66c68e9f7702fb072dcb9eae7 [0,2,0,1,0,0|0,0,1]=4 37278 B12R1.220 C=C(C)CCOCC1CC(C1)F ed209cf2b2bffeb178e7b8a0308c0eea [0,2,0,1,0,0|0,0,1]=4 37279 B12R1.220 C=C(C)CCOC[C@H]1C[C@@H](C1)C 322516f8740d4a33f82400e64bf01549 [0,2,0,1,0,0|0,0,1]=4 37280 B12R1.220 C=C(C)CCOC[C@H]1C[C@H](C1)F 48b849b1191984bdf489284adbae3eec [0,2,0,1,0,0|0,0,1]=4 37281 B12R1.220 C=C1CC(C1)COCCC(C)C 1d37dc85118ff803dff06d3714be2047 [0,2,0,1,0,0|0,0,1]=4 37282 B12R1.220 CC(=O)CCCOC1CC(C1)C c61d73700e7f455f93cff33415854beb [0,2,0,1,0,0|0,0,1]=4 37283 B12R1.220 CC(=O)CCCOC1CC(C1)F feeaef39c69c1de749e9890f74737466 [0,2,0,1,0,0|0,0,1]=4 37284 B12R1.220 CC(=O)CCCO[C@H]1C[C@@H](C1)F c47bee6211622e566b266686f49c5b5e [0,2,0,1,0,0|0,0,1]=4 37285 B12R1.220 CC(=O)CCCO[C@H]1C[C@H](C1)F baed093b8bcbe8154b1d844c5431a65f [0,2,0,1,0,0|0,0,1]=4 37286 B12R1.220 CC(=O)CCOCC1CC(C1)C 7ee17874f5dbc00a06930f8305426809 [0,2,0,1,0,0|0,0,1]=4 37287 B12R1.220 CC(=O)CCOCC1CC(C1)F 3018d58634a49aad2bc51e99c1b90bc1 [0,2,0,1,0,0|0,0,1]=4 37288 B12R1.220 CC(=O)CCOC[C@H]1C[C@@H](C1)C 9b0253d68e24a768def09000e66017b0 [0,2,0,1,0,0|0,0,1]=4 37289 B12R1.220 CC(=O)CCOC[C@H]1C[C@H](C1)F 6dcb766f47c24d001d746bf1d738c165 [0,2,0,1,0,0|0,0,1]=4 37290 B12R1.220 CC(C)CCCNC1CC(C1)F 43b74112abd6589ad822b5e8c053631a [0,2,0,1,0,0|1,0,0]=4 37291 B12R1.220 CC(C)CCCNC1CC(C1)O d6a5d80366cdc97366cd9df2cd23de1b [0,2,0,1,0,0|1,0,0]=4 37292 B12R1.220 CC(C)CCCN[C@H]1C[C@@H](C1)F 682ced0c200df88ed6be2993f11c4278 [0,2,0,1,0,0|1,0,0]=4 37293 B12R1.220 CC(C)CCCN[C@H]1C[C@@H](C1)O 2429daf5b36b04c74c9224edf8de1670 [0,2,0,1,0,0|1,0,0]=4 37294 B12R1.220 CC(C)CCCN[C@H]1C[C@H](C1)F 402babea3070b6979d00c04834b20189 [0,2,0,1,0,0|1,0,0]=4 37295 B12R1.220 CC(C)CCCN[C@H]1C[C@H](C1)O 941d6c615828c6a8217d8c20ef3ac913 [0,2,0,1,0,0|1,0,0]=4 37296 B12R1.220 CC(C)CCCOC1CC(=O)C1 3f325e19dfb48d51773ad65e5bb3b98a [0,2,0,1,0,0|0,0,1]=4 37297 B12R1.220 CC(C)CCCOC1CC(C1)C bc11c588125a7b9bc3b69db00075e2af [0,2,0,1,0,0|0,0,0]=3 37298 B12R1.220 CC(C)CCCOC1CC(C1)F efb8bf0de172224136adc3236527e7b2 [0,2,0,1,0,0|0,0,0]=3 37299 B12R1.220 CC(C)CCCOC1CN(C1)C 11b1e5e63b0ba4624c1bd43b001df14c [0,2,0,1,0,0|1,0,0]=4 37300 B12R1.220 CC(C)CCCO[C@H]1C[C@@H](C1)F 740ccdb8937e073b7dc4cef9501f43ac [0,2,0,1,0,0|0,0,0]=3 37301 B12R1.220 CC(C)CCCO[C@H]1C[C@H](C1)F 12f287cea10693c9ee36a2e90b848327 [0,2,0,1,0,0|0,0,0]=3 37302 B12R1.220 CC(C)CCNCC1CC(C1)C 4a3097d8a05345581c28480c645d1c4c [0,2,0,1,0,0|1,0,0]=4 37303 B12R1.220 CC(C)CCNCC1CC(C1)O 0d19c1fcd18a30a7752322ff3248139b [0,2,0,1,0,0|1,0,0]=4 37304 B12R1.220 CC(C)CCNC[C@H]1C[C@@H](C1)O 925cd5bac6bb5d161815cd5920349964 [0,2,0,1,0,0|1,0,0]=4 37305 B12R1.220 CC(C)CCNC[C@H]1C[C@H](C1)F 14ea13da3186ae53474c66197b6b8895 [0,2,0,1,0,0|1,0,0]=4 37306 B12R1.220 CC(C)CCNC[C@H]1C[C@H](C1)O dd51633452e907fcdf66fcacaad1e155 [0,2,0,1,0,0|1,0,0]=4 37307 B12R1.220 CC(C)CCOCC1CC(=O)C1 e2c69327000e5f2db7a2bc4ec204d436 [0,2,0,1,0,0|0,0,1]=4 37308 B12R1.220 CC(C)CCOCC1CC(C1)C 37539a932e905cf5da4758b43d294cd1 [0,2,0,1,0,0|0,0,0]=3 37309 B12R1.220 CC(C)CCOCC1CC(C1)F 8cf7f455ebda3732746b102516e9988b [0,2,0,1,0,0|0,0,0]=3 37310 B12R1.220 CC(C)CCOCC1CN(C1)C e830d41fb94089671635ead2b81c7c5e [0,2,0,1,0,0|1,0,0]=4 37311 B12R1.220 CC(C)CCOC[C@H]1C[C@@H](C1)C 263c1d63854f21bf7ea1b95525e5b7ff [0,2,0,1,0,0|0,0,0]=3 37312 B12R1.220 CC(C)CCOC[C@H]1C[C@H](C1)F 3db1ccf341068dacf75158e4f8d5fe3a [0,2,0,1,0,0|0,0,0]=3 37313 B12R1.220 CC(C)OCCOC1CC(C1)F d292178c62fb3ba9f3eb07dc46992a26 [0,2,0,1,0,0|1,0,0]=4 37314 B12R1.220 CC(C)OCCO[C@H]1C[C@@H](C1)F e057dfe12ab19a7f80834ea4d3adcca4 [0,2,0,1,0,0|1,0,0]=4 37315 B12R1.220 CC(C)OCCO[C@H]1C[C@H](C1)F f9af592b36b86b6f8586466ee72cabda [0,2,0,1,0,0|1,0,0]=4 37316 B12R1.220 CC(C)OCOCC1CC(C1)F f19a88bb303d29948d8a1a0421402305 [0,2,0,1,0,0|1,0,0]=4 37317 B12R1.220 CC(C)OCOC[C@H]1C[C@@H](C1)C 65f97c7883a2072a7e2867b723f18aae [0,2,0,1,0,0|1,0,0]=4 37318 B12R1.220 CC(C)SCCOC1CC(C1)F b591500c19bcd176099ef15d96e183b3 [0,2,0,1,0,0|1,0,0]=4 37319 B12R1.220 CC(C)SCCO[C@H]1C[C@@H](C1)F 45c937a030b7e6fc2c47ee3eb11200d9 [0,2,0,1,0,0|1,0,0]=4 37320 B12R1.220 CC(C)SCCO[C@H]1C[C@H](C1)F d88b7882f1a011a8ec552397e2eedc53 [0,2,0,1,0,0|1,0,0]=4 37321 B12R1.220 CC(O)CCCNC1CC(C1)F 3fdda41284d63f1f09db6908eefe3dc2 [0,2,0,1,0,0|1,0,0]=4 37322 B12R1.220 CC(O)CCCNC1CC(C1)O 49d732bcbfe457a8fb2df4d3e8b5e871 [0,2,0,1,0,0|1,0,0]=4 37323 B12R1.220 CC(O)CCCN[C@H]1C[C@@H](C1)F 90a7a4f4ec6535e0a25a436640a2e8b8 [0,2,0,1,0,0|1,0,0]=4 37324 B12R1.220 CC(O)CCCN[C@H]1C[C@@H](C1)O 1f0dfa940f340dcd06245911259e9aa5 [0,2,0,1,0,0|1,0,0]=4 37325 B12R1.220 CC(O)CCCN[C@H]1C[C@H](C1)F 055cfc473410b6e1c77cfad30ad2ecaa [0,2,0,1,0,0|1,0,0]=4 37326 B12R1.220 CC(O)CCCN[C@H]1C[C@H](C1)O aff041785674573e4a053570b43bbc84 [0,2,0,1,0,0|1,0,0]=4 37327 B12R1.220 CC(O)CCNCC1CC(C1)C 808117bd99ad0a2e970c70a2bd91ffbb [0,2,0,1,0,0|1,0,0]=4 37328 B12R1.220 CC(O)CCNCC1CC(C1)O 348e123650330b3f4a87af7a2193983c [0,2,0,1,0,0|1,0,0]=4 37329 B12R1.220 CC(O)CCNC[C@H]1C[C@@H](C1)O 0d9320622b9f586ffa770077a5d4484f [0,2,0,1,0,0|1,0,0]=4 37330 B12R1.220 CC(O)CCNC[C@H]1C[C@H](C1)F 59b4b44ce6571473e436dbc0cd015a4b [0,2,0,1,0,0|1,0,0]=4 37331 B12R1.220 CC(O)CCNC[C@H]1C[C@H](C1)O cf0ce7db9cd6fa7b6ed6eb55bdd2da3a [0,2,0,1,0,0|1,0,0]=4 37332 B12R1.220 CC1CC(C1)CNCC[C@@H](C)O 8ac7c8e255c8bdb816f565b0a2af3f75 [0,2,0,1,0,0|1,0,0]=4 37333 B12R1.220 CC1CC(C1)CNCC[C@H](C)O 62eac03a352dc295f1f4b8c98fa23c09 [0,2,0,1,0,0|1,0,0]=4 37334 B12R1.220 CC1CC(C1)COCCC(F)F e3dad345473abdaf98bad8b5ac0dd027 [0,2,0,1,0,0|1,0,0]=4 37335 B12R1.220 CC1CC(C1)COCCN(C)C d2dcb13205d53b7e9a589882dd9e41d3 [0,2,0,1,0,0|1,0,0]=4 37336 B12R1.220 CC1CC(C1)COCCS(=O)C c4889b5124dbba86624fd77d7e56dd0d [0,2,0,1,0,0|1,0,0]=4 37337 B12R1.220 CC1CC(C1)COCOC(C)C 550b6c7fd6e8fa1c5dfb603c37cbfcd9 [0,2,0,1,0,0|1,0,0]=4 37338 B12R1.220 CC1CC(C1)OCCCN(C)C fe706c62ea94475be9e7545d7b0e7569 [0,2,0,1,0,0|1,0,0]=4 37339 B12R1.220 CC1CC(C1)OCCOC(C)C e13f5f9690ce5f0ed302895ed45cb600 [0,2,0,1,0,0|1,0,0]=4 37340 B12R1.220 CC1CC(C1)OCCSC(C)C 871d045f2412ec331e6a90aed7233a43 [0,2,0,1,0,0|1,0,0]=4 37341 B12R1.220 CN(C)CCCOC1CC(C1)F 22aeb14136ada9aeaad47cec16cb5f75 [0,2,0,1,0,0|1,0,0]=4 37342 B12R1.220 CN(C)CCCO[C@H]1C[C@@H](C1)F 0ad6405f784a08f08279c1cb99cd64c7 [0,2,0,1,0,0|1,0,0]=4 37343 B12R1.220 CN(C)CCCO[C@H]1C[C@H](C1)F b88b8866025354a6e5105ee151f7dbbe [0,2,0,1,0,0|1,0,0]=4 37344 B12R1.220 CN(C)CCOCC1CC(C1)F 29574331a882ba36074b4d19f7f29160 [0,2,0,1,0,0|1,0,0]=4 37345 B12R1.220 CN(C)CCOC[C@H]1C[C@@H](C1)C 7edc302a17f69c7f55f8c9c5bd074e4f [0,2,0,1,0,0|1,0,0]=4 37346 B12R1.220 CN(C)CCOC[C@H]1C[C@H](C1)F 0479a9631f02bcc86d44c669cd236bed [0,2,0,1,0,0|1,0,0]=4 37347 B12R1.220 CS(=O)CCOCC1CC(C1)F da92950e9a4a3b5b53a4a27e87910156 [0,2,0,1,0,0|1,0,0]=4 37348 B12R1.220 CS(=O)CCOC[C@H]1C[C@@H](C1)C 9184fa7d5284cfa0594d911e214ba0b1 [0,2,0,1,0,0|1,0,0]=4 37349 B12R1.220 CS(=O)CCOC[C@H]1C[C@H](C1)F ad2688e240b5253d521e6369be62341b [0,2,0,1,0,0|1,0,0]=4 37350 B12R1.220 C[C@@H](O)CCNCC1CC(C1)O 4024f3835feada8c96babcba5f3ed4ae [0,2,0,1,0,0|1,0,0]=4 37351 B12R1.220 C[C@@H](O)CCNC[C@H]1C[C@H](C1)F b15c3309d57ee83eac6ec6f18928bc5e [0,2,0,1,0,0|1,0,0]=4 37352 B12R1.220 C[C@H](O)CCNCC1CC(C1)O 5c2da68a70b0ab40ea3d44b246f74930 [0,2,0,1,0,0|1,0,0]=4 37353 B12R1.220 C[C@H](O)CCNC[C@H]1C[C@H](C1)F 535375d5ed4b37f7c86d08d93323df77 [0,2,0,1,0,0|1,0,0]=4 37354 B12R1.220 FC(F)CCOC[C@H]1C[C@H](C1)F 5e05379b517d9af00cf763baec711be3 [0,2,0,1,0,0|1,0,0]=4 37355 B12R1.226 CC(C)CCN1CCCC(C1)C 40a184eca14ed542242755bb2dee66ab [0,2,0,1,0,0|1,0,0]=4 37356 B12R1.226 CC(C)CCN1CCCC(C1)F 801201f5483aba89e80d31026b7e4f85 [0,2,0,1,0,0|1,0,0]=4 37357 B12R1.226 CC(C)CCN1CCCC(C1)O 7522bb0cf6b897c9ba514cca2ceb8361 [0,2,0,1,0,0|1,0,0]=4 37358 B12R1.226 CC(C)CCN1CCC[C@@H](C1)C e202fb63cb0daab4a110e67287c964c4 [0,2,0,1,0,0|1,0,0]=4 37359 B12R1.226 CC(C)CCN1CCC[C@@H](C1)F 8ca72970dfedfe8e81208782e2d1495b [0,2,0,1,0,0|1,0,0]=4 37360 B12R1.226 CC(C)CCN1CCC[C@@H](C1)O 911392299b6743f3a8e5932fb9c1c643 [0,2,0,1,0,0|1,0,0]=4 37361 B12R1.226 CC(C)CCN1CCC[C@H](C1)C 649a1fa2d743a1269608a3ca5e372db6 [0,2,0,1,0,0|1,0,0]=4 37362 B12R1.226 CC(C)CCN1CCC[C@H](C1)F 5fceb6eb122729cbd136de97948cd474 [0,2,0,1,0,0|1,0,0]=4 37363 B12R1.226 CC(C)CCN1CCC[C@H](C1)O 9fc205f9ecb4bf96e64a56a6dc1dcda2 [0,2,0,1,0,0|1,0,0]=4 37364 B12R1.226 CC(O)CCN1CCCC(C1)C d3675a7f1d533335e782322f0040b3ae [0,2,0,1,0,0|1,0,0]=4 37365 B12R1.226 CC(O)CCN1CCCC(C1)F 778716476a6b79cdc6d74c9c63e13a7c [0,2,0,1,0,0|1,0,0]=4 37366 B12R1.226 CC(O)CCN1CCCC(C1)O 3cec1e178eae38c53ac0f46bef13d132 [0,2,0,1,0,0|1,0,0]=4 37367 B12R1.226 CC(O)CCN1CCC[C@@H](C1)C 485ab50c9afc62410887d354eee5ec24 [0,2,0,1,0,0|1,0,0]=4 37368 B12R1.226 CC(O)CCN1CCC[C@@H](C1)F 367e389e02e903bed1978867c0f2200f [0,2,0,1,0,0|1,0,0]=4 37369 B12R1.226 CC(O)CCN1CCC[C@@H](C1)O 3b7fa1c2073d181a19319087c5c47317 [0,2,0,1,0,0|1,0,0]=4 37370 B12R1.226 CC(O)CCN1CCC[C@H](C1)C ee290fb9689fdc77da7258c112dc9b3b [0,2,0,1,0,0|1,0,0]=4 37371 B12R1.226 CC(O)CCN1CCC[C@H](C1)F 7c14f318023adb37da58ee585731cbb9 [0,2,0,1,0,0|1,0,0]=4 37372 B12R1.226 CC(O)CCN1CCC[C@H](C1)O 0c1296edb872d2dde3c81386ad07f8d3 [0,2,0,1,0,0|1,0,0]=4 37373 B12R1.255 C=C(C)CCCNC1CCCC1 9a3c6c7831edbcfaf70618d9d9c8a08d [0,2,0,1,0,0|1,0,0]=4 37374 B12R1.255 C=C(C)CCCOC1CCCC1 11082a40e798c6d9e6cb289fc21a75b5 [0,2,0,1,0,0|0,0,0]=3 37375 B12R1.255 C=C(C)CCCOC1CCCO1 8460ce83c1c670432b7beaf8b0658b82 [0,2,0,1,0,0|0,0,1]=4 37376 B12R1.255 C=C(C)CCCOC1CCOC1 5a29a7b75a2eac69ccd959f7dbb6385a [0,2,0,1,0,0|0,0,1]=4 37377 B12R1.255 C=C(C)CCCOC1CCSC1 774ef700ea989d87749894bb5883648a [0,2,0,1,0,0|0,0,1]=4 37378 B12R1.255 C=C(C)CCCO[C@@H]1CCOC1 0403b526465533a16d723f2ae54f8be4 [0,2,0,1,0,0|0,0,1]=4 37379 B12R1.255 C=C(C)CCCO[C@@H]1CCSC1 d5adc58b2d89fac047e4367d0c7e37ef [0,2,0,1,0,0|0,0,1]=4 37380 B12R1.255 C=C(C)CCCO[C@H]1CCOC1 c62c354bd87987edc8329320c1b7d5f8 [0,2,0,1,0,0|0,0,1]=4 37381 B12R1.255 C=C(C)CCCO[C@H]1CCSC1 adf36bfa8a293900d9d33843c5861201 [0,2,0,1,0,0|0,0,1]=4 37382 B12R1.255 C=C(C)CCOCC1CCCC1 101d7c542e236513cb3fd9b00277d6d5 [0,2,0,1,0,0|0,0,1]=4 37383 B12R1.255 C=C(C)CCOCC1CCCO1 9e7bc1bbb26fc29b991d4521a0e05c16 [0,2,0,1,0,0|0,0,1]=4 37384 B12R1.255 C=C(C)CCOCC1CCCS1 b49df5752a8c2c9adb6388b357d499b7 [0,2,0,1,0,0|0,0,1]=4 37385 B12R1.255 C=C(C)CCOCC1CCOC1 3d2726de1101ef2f685a4cd7672900c7 [0,2,0,1,0,0|0,0,1]=4 37386 B12R1.255 C=C(C)CCOCN1CCCC1 3cf091781f3557830820612606d77fe9 [0,2,0,1,0,0|0,0,1]=4 37387 B12R1.255 C=C(C)CCOC[C@@H]1CCCO1 9ca53a0e4939434282a3177ff217c080 [0,2,0,1,0,0|0,0,1]=4 37388 B12R1.255 C=C(C)CCOC[C@@H]1CCOC1 1346cc394e0b6232670ffdfbbebf9d21 [0,2,0,1,0,0|0,0,1]=4 37389 B12R1.255 C=C(C)CCOC[C@H]1CCCO1 5ed0372830c16fb67c236fc78eff4361 [0,2,0,1,0,0|0,0,1]=4 37390 B12R1.255 C=C(C)CCOC[C@H]1CCOC1 99b700165bc6468d9b58233d22bdea8f [0,2,0,1,0,0|0,0,1]=4 37391 B12R1.255 CC(=CCCOC1CCCC1)C 0279374f7e18e2573528437794c49372 [0,2,0,1,0,0|0,0,1]=4 37392 B12R1.255 CC(=O)CCCNC1CCCC1 9e1109b7a3870b23cd3bce982426e3e5 [0,2,0,1,0,0|1,0,0]=4 37393 B12R1.255 CC(=O)CCCOC1CCCC1 5a7d0f5e8f7a4c82692c85ceb0de4502 [0,2,0,1,0,0|0,0,0]=3 37394 B12R1.255 CC(=O)CCCOC1CCCO1 e62ecc3bd27f86c1dd1a1e02039e7409 [0,2,0,1,0,0|0,0,1]=4 37395 B12R1.255 CC(=O)CCCOC1CCOC1 2e0d6acf6a9d42bfcc9638af99d0c943 [0,2,0,1,0,0|0,0,1]=4 37396 B12R1.255 CC(=O)CCCOC1CCSC1 ca6283948fde3cf033026258bf310e58 [0,2,0,1,0,0|0,0,1]=4 37397 B12R1.255 CC(=O)CCCO[C@@H]1CCOC1 fbaacafcce884e7598e5ff707ece86e7 [0,2,0,1,0,0|0,0,1]=4 37398 B12R1.255 CC(=O)CCCO[C@@H]1CCSC1 569e5f7071d41afe1887ddfb14ddf64c [0,2,0,1,0,0|0,0,1]=4 37399 B12R1.255 CC(=O)CCCO[C@H]1CCOC1 bc8cf9f299f34f554ebdfe4406a9d39d [0,2,0,1,0,0|0,0,1]=4 37400 B12R1.255 CC(=O)CCCO[C@H]1CCSC1 435102839b73281e8014b6829efd77a0 [0,2,0,1,0,0|0,0,1]=4 37401 B12R1.255 CC(=O)CCOCC1CCCC1 efb5c67ae81af3413188f00bf5f3a603 [0,2,0,1,0,0|0,0,1]=4 37402 B12R1.255 CC(=O)CCOCC1CCCO1 0916a48a13ec185401a7a23dcd5c29c8 [0,2,0,1,0,0|0,0,1]=4 37403 B12R1.255 CC(=O)CCOCC1CCCS1 34566ee69ae58ea809e989100eb9c480 [0,2,0,1,0,0|0,0,1]=4 37404 B12R1.255 CC(=O)CCOCC1CCOC1 73a31730074b76c3a1fa4d7d91b981d0 [0,2,0,1,0,0|0,0,1]=4 37405 B12R1.255 CC(=O)CCOCN1CCCC1 7905270e0f0a6535aedc9a94720509d7 [0,2,0,1,0,0|0,0,1]=4 37406 B12R1.255 CC(=O)CCOC[C@@H]1CCCO1 9845b56e5286d28af189b464c4ac053c [0,2,0,1,0,0|0,0,1]=4 37407 B12R1.255 CC(=O)CCOC[C@@H]1CCOC1 06ec5110087b46e8d55d6ba6fc2dcfaa [0,2,0,1,0,0|0,0,1]=4 37408 B12R1.255 CC(=O)CCOC[C@H]1CCCO1 f06e50473ac665d6d3078287a9acacab [0,2,0,1,0,0|0,0,1]=4 37409 B12R1.255 CC(=O)CCOC[C@H]1CCOC1 d144b11451d80398f6b796c8c12d89a1 [0,2,0,1,0,0|0,0,1]=4 37410 B12R1.255 CC(=O)NCCOC1CCCC1 97f03122c5f495c642531a4ccedeb576 [0,2,0,1,0,0|0,0,1]=4 37411 B12R1.255 CC(=O)OCCOC1CCCC1 d20b03595ddbaf6544f0852c828eaffb [0,2,0,1,0,0|0,0,1]=4 37412 B12R1.255 CC(=O)SCCOC1CCCC1 9d817037d630193f8b026c6bc429e3f9 [0,2,0,1,0,0|0,0,1]=4 37413 B12R1.255 CC(C)/C=C/COC1CCCC1 17daa47c331bb579face2b1763e7180e [0,2,0,1,0,0|0,0,1]=4 37414 B12R1.255 CC(C)CCCNC1CCCC1 2da235df02e62913f7daf4771000e4ac [0,2,0,1,0,0|1,0,0]=4 37415 B12R1.255 CC(C)CCCNC1CCOC1 7102a443d3669cb874ddfcb434738bb3 [0,2,0,1,0,0|1,0,0]=4 37416 B12R1.255 CC(C)CCCNC1CCSC1 9b9dfbe99f93ed9fa1dbf026bea67baa [0,2,0,1,0,0|1,0,0]=4 37417 B12R1.255 CC(C)CCCN[C@@H]1CCOC1 07da8b68111dd73efe99455c2064e74b [0,2,0,1,0,0|1,0,0]=4 37418 B12R1.255 CC(C)CCCN[C@H]1CCOC1 43af7dc9bf4e8ea0d547b4f6894ad828 [0,2,0,1,0,0|1,0,0]=4 37419 B12R1.255 CC(C)CCCOC1C=CCC1 8c4efb868017a65188296ff8f3b24518 [0,2,0,1,0,0|0,0,1]=4 37420 B12R1.255 CC(C)CCCOC1CC=CC1 ee237627da15777a79297719739832b3 [0,2,0,1,0,0|0,0,1]=4 37421 B12R1.255 CC(C)CCCOC1CCCC1 4b8f1f37b87b0335211d3231961aadc9 [0,2,0,1,0,0|0,0,0]=3 37422 B12R1.255 CC(C)CCCOC1CCCO1 6580db3bf17a8833c31b1cbd4a4b8177 [0,2,0,1,0,0|0,0,0]=3 37423 B12R1.255 CC(C)CCCOC1CCOC1 5679203f104e0d82089d7f4e84228b0d [0,2,0,1,0,0|0,0,0]=3 37424 B12R1.255 CC(C)CCCOC1CCSC1 95e81e45cc4203a9bc50514af1f643e3 [0,2,0,1,0,0|0,0,0]=3 37425 B12R1.255 CC(C)CCCO[C@@H]1CCOC1 078ea1a78d96bf0031d082ae6dbf7d12 [0,2,0,1,0,0|0,0,0]=3 37426 B12R1.255 CC(C)CCCO[C@@H]1CCSC1 477f8f0c91d9c94ab575737c81211b0d [0,2,0,1,0,0|0,0,0]=3 37427 B12R1.255 CC(C)CCCO[C@H]1CCOC1 0dff211d197227c61d6406830c0c8d69 [0,2,0,1,0,0|0,0,0]=3 37428 B12R1.255 CC(C)CCCO[C@H]1CCSC1 3102826d149033df223c95a13f06121a [0,2,0,1,0,0|0,0,0]=3 37429 B12R1.255 CC(C)CCNCC1CCCC1 335b548f185980a5fe13745827672351 [0,2,0,1,0,0|1,0,0]=4 37430 B12R1.255 CC(C)CCNCC1CCCO1 de4f7dc93401fa19eb63f982dc70e718 [0,2,0,1,0,0|1,0,0]=4 37431 B12R1.255 CC(C)CCNCC1CCOC1 c33a627cff8c7c759404a3c96b43273f [0,2,0,1,0,0|1,0,0]=4 37432 B12R1.255 CC(C)CCNC[C@@H]1CCCO1 5de20e2a14767b6d62d2de9449aef72a [0,2,0,1,0,0|1,0,0]=4 37433 B12R1.255 CC(C)CCNC[C@@H]1CCOC1 3ac7b685b7e5711754ea74f8d23de4b3 [0,2,0,1,0,0|1,0,0]=4 37434 B12R1.255 CC(C)CCNC[C@H]1CCCO1 87081da679e132cef8bb8692fa3a4bb1 [0,2,0,1,0,0|1,0,0]=4 37435 B12R1.255 CC(C)CCNC[C@H]1CCOC1 765c28836dced250da04298d9c8f2372 [0,2,0,1,0,0|1,0,0]=4 37436 B12R1.255 CC(C)CCOCC1C=CCC1 af7e6a41821a3f11ee52f5874e09aaaf [0,2,0,1,0,0|0,0,1]=4 37437 B12R1.255 CC(C)CCOCC1CC=CC1 27e178ed3280f8cff74137ecc63b051e [0,2,0,1,0,0|0,0,1]=4 37438 B12R1.255 CC(C)CCOCC1CCCC1 fee412ea9039bb5cf6ec5ae77fbc33a8 [0,2,0,1,0,0|0,0,0]=3 37439 B12R1.255 CC(C)CCOCC1CCCO1 8446406c7f31c46b14132d0b1721ab73 [0,2,0,1,0,0|0,0,0]=3 37440 B12R1.255 CC(C)CCOCC1CCCS1 d6799e93876dd177caa42887b3d0bf20 [0,2,0,1,0,0|0,0,0]=3 37441 B12R1.255 CC(C)CCOCC1CCOC1 0256d887a65364040644cd4f60e02ee1 [0,2,0,1,0,0|0,0,0]=3 37442 B12R1.255 CC(C)CCOCN1CCCC1 0fde17e337870cf53dac83b6c57aa5a4 [0,2,0,1,0,0|0,0,0]=3 37443 B12R1.255 CC(C)CCOC[C@@H]1CCCO1 8818d8561826537de09e9f2abaeb32af [0,2,0,1,0,0|0,0,0]=3 37444 B12R1.255 CC(C)CCOC[C@@H]1CCOC1 6856ab9ac715c6012ec6e3b4b14ac853 [0,2,0,1,0,0|0,0,0]=3 37445 B12R1.255 CC(C)CCOC[C@H]1CCCO1 ab8f5513359190ba90c88b99e92ee725 [0,2,0,1,0,0|0,0,0]=3 37446 B12R1.255 CC(C)CCOC[C@H]1CCOC1 e492df09baee91a9fd855d1046c182de [0,2,0,1,0,0|0,0,0]=3 37447 B12R1.255 CC(C)CNCCC1CCCC1 fbb36a6521a590b3d59ff42976a9edde [0,2,0,1,0,0|1,0,0]=4 37448 B12R1.255 CC(C)CNCCN1CCCC1 67349f12dd5afa8a4b663db0c4a61baf [0,2,0,1,0,0|1,0,0]=4 37449 B12R1.255 CC(C)COCCC1CCCC1 9442ee5b97e381ea9b1194d87f16312c [0,2,0,1,0,0|1,0,0]=4 37450 B12R1.255 CC(C)COCCN1CCCC1 ba74a5efa7a7db82a35e513a5f37a164 [0,2,0,1,0,0|1,0,0]=4 37451 B12R1.255 CC(C)NCCCC1CCCC1 8ac98c4225633d5501291538540a1d58 [0,2,0,1,0,0|1,0,0]=4 37452 B12R1.255 CC(C)NCCCN1CCCC1 aa511d938df8369e166a784667f89621 [0,2,0,1,0,0|1,0,0]=4 37453 B12R1.255 CC(C)NCCOC1CCCC1 bfa104d441ddd37999eba81e2f2d6317 [0,2,0,1,0,0|0,0,0]=3 37454 B12R1.255 CC(C)NCCSC1CCCC1 b89ab8ca09b522f7447aed119b9e00e4 [0,2,0,1,0,0|0,1,0]=4 37455 B12R1.255 CC(C)OCCCC1CCCC1 a128ff853717bc0254eefad4e474e3e5 [0,2,0,1,0,0|1,0,0]=4 37456 B12R1.255 CC(C)OCCCN1CCCC1 07aac5083a6da660b2cae848e7d9b5b4 [0,2,0,1,0,0|1,0,0]=4 37457 B12R1.255 CC(C)OCCNC1CCCC1 99b34aeb8147ba78487bcc70c54dc318 [0,2,0,1,0,0|1,0,0]=4 37458 B12R1.255 CC(C)OCCOC1CCCC1 dbd68ecd0262f3e4af5099d45e5cd9d0 [0,2,0,1,0,0|0,0,0]=3 37459 B12R1.255 CC(C)OCCOC1CCCO1 22c2f53171999d2a1b094af3f1668126 [0,2,0,1,0,0|1,0,0]=4 37460 B12R1.255 CC(C)OCCOC1CCOC1 8679101532290d30b80554cbd04317b1 [0,2,0,1,0,0|1,0,0]=4 37461 B12R1.255 CC(C)OCCOC1CCSC1 f0439947ea07dc875bb8edd802076cce [0,2,0,1,0,0|1,0,0]=4 37462 B12R1.255 CC(C)OCCO[C@@H]1CCOC1 02e5beba44a0a12ff741ee699ea2e103 [0,2,0,1,0,0|1,0,0]=4 37463 B12R1.255 CC(C)OCCO[C@@H]1CCSC1 83d9cd0d86c0476fc00008c4f524ba2e [0,2,0,1,0,0|1,0,0]=4 37464 B12R1.255 CC(C)OCCO[C@H]1CCOC1 34ed05b7b1ece50a88f689b56f149412 [0,2,0,1,0,0|1,0,0]=4 37465 B12R1.255 CC(C)OCCO[C@H]1CCSC1 15f9a8f68145915b3e388685bd2ef911 [0,2,0,1,0,0|1,0,0]=4 37466 B12R1.255 CC(C)OCOCC1CCCC1 1237053430818f490dd16bcadfb8a45c [0,2,0,1,0,0|1,0,0]=4 37467 B12R1.255 CC(C)OCOCC1CCCO1 e8f02590537308eb02a60222ce1aa993 [0,2,0,1,0,0|1,0,0]=4 37468 B12R1.255 CC(C)OCOCC1CCCS1 be6c5780da9ce19863eedbd6b4ded0ea [0,2,0,1,0,0|1,0,0]=4 37469 B12R1.255 CC(C)OCOCC1CCOC1 082498bc99d9963872128248c187cd61 [0,2,0,1,0,0|1,0,0]=4 37470 B12R1.255 CC(C)OCOCN1CCCC1 a8d5b2a99820e6b8f71bb3b41f6cff7f [0,2,0,1,0,0|1,0,0]=4 37471 B12R1.255 CC(C)OCOC[C@@H]1CCCO1 670ae7b6bad8e0f56524b547b304e6c7 [0,2,0,1,0,0|1,0,0]=4 37472 B12R1.255 CC(C)OCOC[C@@H]1CCOC1 fcd698cf0583c08e5f5e81e83bd46036 [0,2,0,1,0,0|1,0,0]=4 37473 B12R1.255 CC(C)OCOC[C@H]1CCCO1 6a582f17b7559b29a71ed65478a86a7f [0,2,0,1,0,0|1,0,0]=4 37474 B12R1.255 CC(C)OCOC[C@H]1CCOC1 072a8070a4e0f9ca6592734a8d02432e [0,2,0,1,0,0|1,0,0]=4 37475 B12R1.255 CC(C)SCCNC1CCCC1 0da853cb8b82dcb62afafdcce56a91d0 [0,2,0,1,0,0|1,0,0]=4 37476 B12R1.255 CC(C)SCCOC1CCCC1 0e169c6cca3bdd29066e76366b9a98ec [0,2,0,1,0,0|0,0,0]=3 37477 B12R1.255 CC(C)SCCOC1CCCO1 e9f928a620a56f58ba23893f03e07c46 [0,2,0,1,0,0|1,0,0]=4 37478 B12R1.255 CC(C)SCCOC1CCOC1 130394457542b2077b2ebfb2ef3cefb3 [0,2,0,1,0,0|1,0,0]=4 37479 B12R1.255 CC(C)SCCOC1CCSC1 4a3cb38e44cc4650ca3413a748e54c7a [0,2,0,1,0,0|1,0,0]=4 37480 B12R1.255 CC(C)SCCO[C@@H]1CCOC1 570e5fedfcc3ebc57b15d652b00851da [0,2,0,1,0,0|1,0,0]=4 37481 B12R1.255 CC(C)SCCO[C@@H]1CCSC1 dc6e948db8f29bc477e92d914e8b8805 [0,2,0,1,0,0|1,0,0]=4 37482 B12R1.255 CC(C)SCCO[C@H]1CCOC1 b5daea523d63b79f49d5fc7b3b064214 [0,2,0,1,0,0|1,0,0]=4 37483 B12R1.255 CC(C)SCCO[C@H]1CCSC1 9e421bacc47048742ef5dc3f86a3684f [0,2,0,1,0,0|1,0,0]=4 37484 B12R1.255 CC(F)COCCC1CCCC1 956689178710f2927c3b91431d40a38f [0,2,0,1,0,0|1,0,0]=4 37485 B12R1.255 CC(F)COCCN1CCCC1 efc2fa7c8a21425d44da34c8da48e5a3 [0,2,0,1,0,0|1,0,0]=4 37486 B12R1.255 CC(O)CCCNC1CCCC1 dc7a4cbd146af81d6e30d92d70ad2158 [0,2,0,1,0,0|1,0,0]=4 37487 B12R1.255 CC(O)CCCNC1CCOC1 3385fee2eeb59278b1ccefbd655ea337 [0,2,0,1,0,0|1,0,0]=4 37488 B12R1.255 CC(O)CCCNC1CCSC1 2e4d5981f83641b736c19458de58a443 [0,2,0,1,0,0|1,0,0]=4 37489 B12R1.255 CC(O)CCCN[C@@H]1CCOC1 fbfaa351b709764e80e7d548d13f6d83 [0,2,0,1,0,0|1,0,0]=4 37490 B12R1.255 CC(O)CCCN[C@H]1CCOC1 62eca09ef477ee8168a7667d727bdd42 [0,2,0,1,0,0|1,0,0]=4 37491 B12R1.255 CC(O)CCNCC1CCCC1 6ecf2015920bdcaf7e0c320e0162e3ba [0,2,0,1,0,0|1,0,0]=4 37492 B12R1.255 CC(O)CCNCC1CCCO1 5aa0a56621812bd8220b1c5615cf664d [0,2,0,1,0,0|1,0,0]=4 37493 B12R1.255 CC(O)CCNCC1CCOC1 7f5bf5f1a2d71d4921468f7775a983a4 [0,2,0,1,0,0|1,0,0]=4 37494 B12R1.255 CC(O)CCNC[C@@H]1CCCO1 cca0a9a173f9619607978e70ba883c2d [0,2,0,1,0,0|1,0,0]=4 37495 B12R1.255 CC(O)CCNC[C@@H]1CCOC1 13f22f698276344eda2d68bba47c7ad1 [0,2,0,1,0,0|1,0,0]=4 37496 B12R1.255 CC(O)CCNC[C@H]1CCCO1 e82b45aa8c655834bdd4b34f4e3ebda5 [0,2,0,1,0,0|1,0,0]=4 37497 B12R1.255 CC(O)CCNC[C@H]1CCOC1 d258c30fe7cf996ab202cd07a7483d3f [0,2,0,1,0,0|1,0,0]=4 37498 B12R1.255 CC(O)CNCCC1CCCC1 150d6abf626837471dea729715c2fe10 [0,2,0,1,0,0|1,0,0]=4 37499 B12R1.255 CC(O)CNCCN1CCCC1 251ff4db31bdab11d20a925dca6f060e [0,2,0,1,0,0|1,0,0]=4 37500 B12R1.255 CC(S)COCCC1CCCC1 5bbdbc14cdf9e11dda099344e8a367b4 [0,2,0,1,0,0|1,0,0]=4 37501 B12R1.255 CC(S)COCCN1CCCC1 6fd3c414ae63fcbdfc79db331d2a7aaa [0,2,0,1,0,0|1,0,0]=4 37502 B12R1.255 CN(C)CCCNC1CCCC1 1a99862f65888694f97355870b83a39a [0,2,0,1,0,0|1,0,0]=4 37503 B12R1.255 CN(C)CCCOC1CCCC1 bcea6a00440cc21ff1c011372fe2ba88 [0,2,0,1,0,0|0,0,0]=3 37504 B12R1.255 CN(C)CCCOC1CCCO1 ad51af42aab9e8e8b732dad65914aa9c [0,2,0,1,0,0|1,0,0]=4 37505 B12R1.255 CN(C)CCCOC1CCOC1 c8d1bcc96b1f84ae80064db690954492 [0,2,0,1,0,0|1,0,0]=4 37506 B12R1.255 CN(C)CCCOC1CCSC1 5162ced968e2937db3f65f20b6944b6f [0,2,0,1,0,0|1,0,0]=4 37507 B12R1.255 CN(C)CCCO[C@@H]1CCOC1 9eac834e76b416b8739fd4df387f2ff4 [0,2,0,1,0,0|1,0,0]=4 37508 B12R1.255 CN(C)CCCO[C@@H]1CCSC1 6f6b1c831951094e24f339462a929275 [0,2,0,1,0,0|1,0,0]=4 37509 B12R1.255 CN(C)CCCO[C@H]1CCOC1 0aa611b42e38339ef039ed33300b33fd [0,2,0,1,0,0|1,0,0]=4 37510 B12R1.255 CN(C)CCCO[C@H]1CCSC1 e5f6f64f1161b15ff3f719dc07699152 [0,2,0,1,0,0|1,0,0]=4 37511 B12R1.255 CN(C)CCOCC1CCCC1 577bd140248fc62c9fca796c609d1461 [0,2,0,1,0,0|1,0,0]=4 37512 B12R1.255 CN(C)CCOCC1CCCO1 9130561061622786809a3547f619464a [0,2,0,1,0,0|1,0,0]=4 37513 B12R1.255 CN(C)CCOCC1CCCS1 a7cfa197fabcdded156318e41635536b [0,2,0,1,0,0|1,0,0]=4 37514 B12R1.255 CN(C)CCOCC1CCOC1 b0bba7e196c915ad52cae0e109ae0922 [0,2,0,1,0,0|1,0,0]=4 37515 B12R1.255 CN(C)CCOCN1CCCC1 f73ad841e8f8c0b83c204a8c150a7e41 [0,2,0,1,0,0|1,0,0]=4 37516 B12R1.255 CN(C)CCOC[C@@H]1CCCO1 78460da7f502f2780bb178afec574775 [0,2,0,1,0,0|1,0,0]=4 37517 B12R1.255 CN(C)CCOC[C@@H]1CCOC1 24013b3e69a99783336f51396d347eeb [0,2,0,1,0,0|1,0,0]=4 37518 B12R1.255 CN(C)CCOC[C@H]1CCCO1 df4497207f0f39db033388b98020e5c4 [0,2,0,1,0,0|1,0,0]=4 37519 B12R1.255 CN(C)CCOC[C@H]1CCOC1 f717e376b9cb9d900f40e06c93ca178b [0,2,0,1,0,0|1,0,0]=4 37520 B12R1.255 CS(=O)CCCNC1CCCC1 2ea69945fd665094e0b89856e069f737 [0,2,0,1,0,0|1,0,0]=4 37521 B12R1.255 CS(=O)CCOCC1CCCC1 27fde2bd95d6fe14c93820c85a12eb2e [0,2,0,1,0,0|1,0,0]=4 37522 B12R1.255 CS(=O)CCOCC1CCCO1 1b52011e57dd4708c9c63a58e1868f53 [0,2,0,1,0,0|1,0,0]=4 37523 B12R1.255 CS(=O)CCOCC1CCCS1 489a2ed40b4e4bb2ae3e9c66d55709e8 [0,2,0,1,0,0|1,0,0]=4 37524 B12R1.255 CS(=O)CCOCC1CCOC1 10ea52f5e818a2de1f7df81a25095f55 [0,2,0,1,0,0|1,0,0]=4 37525 B12R1.255 CS(=O)CCOCN1CCCC1 7be9e791b98178e23309928e4a75f331 [0,2,0,1,0,0|1,0,0]=4 37526 B12R1.255 CS(=O)CCOC[C@@H]1CCCO1 5b7aae3394dbf4173993a1d91abc4fe7 [0,2,0,1,0,0|1,0,0]=4 37527 B12R1.255 CS(=O)CCOC[C@@H]1CCOC1 62a3e7b0315b91a17088a412415b83c9 [0,2,0,1,0,0|1,0,0]=4 37528 B12R1.255 CS(=O)CCOC[C@H]1CCCO1 de2d12b28c2e8760f2ffe01246f2e34a [0,2,0,1,0,0|1,0,0]=4 37529 B12R1.255 CS(=O)CCOC[C@H]1CCOC1 3a9beb9ff695a4da17a3867c100ebd00 [0,2,0,1,0,0|1,0,0]=4 37530 B12R1.255 C[C@@H](F)COCCC1CCCC1 3116a21f9aa2ac5e6ad6d28aade96e8c [0,2,0,1,0,0|1,0,0]=4 37531 B12R1.255 C[C@@H](F)COCCN1CCCC1 44901ca36e12f357b101434eb2082e0a [0,2,0,1,0,0|1,0,0]=4 37532 B12R1.255 C[C@@H](O)CCNCC1CCCC1 f5803b8e21f20a4fa493a507103eaba0 [0,2,0,1,0,0|1,0,0]=4 37533 B12R1.255 C[C@@H](O)CCNCC1CCCO1 9ccb6acbcc349558730af0e39fe71c41 [0,2,0,1,0,0|1,0,0]=4 37534 B12R1.255 C[C@@H](O)CCNCC1CCOC1 0414d37c28778efdd1411739501f0624 [0,2,0,1,0,0|1,0,0]=4 37535 B12R1.255 C[C@@H](O)CNCCC1CCCC1 f9213f6d8d7769970256eb2444e0cf9b [0,2,0,1,0,0|1,0,0]=4 37536 B12R1.255 C[C@@H](O)CNCCN1CCCC1 8b6349776261b9c34b65890324d3c06a [0,2,0,1,0,0|1,0,0]=4 37537 B12R1.255 C[C@H](F)COCCC1CCCC1 efb34e98fd37f4b222db2c78a7c5ac74 [0,2,0,1,0,0|1,0,0]=4 37538 B12R1.255 C[C@H](F)COCCN1CCCC1 f5f2d7b7ae43e3de325b64425ad57e0e [0,2,0,1,0,0|1,0,0]=4 37539 B12R1.255 C[C@H](O)CCNCC1CCCC1 76e599538f93e05363eaa9c57e8fa850 [0,2,0,1,0,0|1,0,0]=4 37540 B12R1.255 C[C@H](O)CCNCC1CCCO1 a6bf2d27f5b3d91869b12ade16c0c0ce [0,2,0,1,0,0|1,0,0]=4 37541 B12R1.255 C[C@H](O)CCNCC1CCOC1 2248c2988ad64996935279506576333a [0,2,0,1,0,0|1,0,0]=4 37542 B12R1.255 C[C@H](O)CNCCC1CCCC1 ccbe607e7e39e99d9d2644e927b75900 [0,2,0,1,0,0|1,0,0]=4 37543 B12R1.255 C[C@H](O)CNCCN1CCCC1 930ed835de85d5d1eed5c28fabbc8ba5 [0,2,0,1,0,0|1,0,0]=4 37544 B12R1.255 FC(F)CCOCC1CCCC1 8857ba27e02eae7239a9d1bee686a336 [0,2,0,1,0,0|1,0,0]=4 37545 B12R1.255 FC(F)CCOCC1CCCO1 8e660a39c37283114c38e897d5150822 [0,2,0,1,0,0|1,0,0]=4 37546 B12R1.255 FC(F)CCOCC1CCOC1 3bb9776c3f037eedb833a057a32d8f63 [0,2,0,1,0,0|1,0,0]=4 37547 B12R1.255 FC(F)OCCOC1CCCC1 d5084935d58b8eebff14be87dadbce3e [0,2,0,1,0,0|1,0,0]=4 37548 B12R1.255 NC(=O)CCCOC1CCCC1 6fa54c507faa2f2f25113c66a9350225 [0,2,0,1,0,0|0,0,1]=4 37549 B12R1.255 O=C(O)CCCOC1CCCC1 99bc43476fc63e5fbe03c71111b0689d [0,2,0,1,0,0|0,0,1]=4 37550 B12R1.255 O=[N+]([O-])CCCOC1CCCC1 c5a4ba6e43c66d3f1c14f55bdcf4ce72 [0,2,0,1,0,0|1,0,0]=4 37551 B12R1.317 CCCC(C)N1CCCC1(C)C 4139066674b37541802915caa479ba3a [0,2,0,1,0,0|1,0,0]=4 37552 B12R1.395 C#C[C@H]1C[C@H]1COCCC(C)C 0f9f596281fdcc39afdc9383bb838940 [0,2,0,1,0,0|0,0,1]=4 37553 B12R1.395 CC(C)CCCN[C@@H]1C[C@H]1CO 3a61315fe5571cb6d71a92cfaf6f6e97 [0,2,0,1,0,0|1,0,0]=4 37554 B12R1.395 CC(C)CCCN[C@H]1C[C@@H]1CO f941d550bbe19da543da45e5528946f8 [0,2,0,1,0,0|1,0,0]=4 37555 B12R1.395 CC(C)CCCN[C@H]1C[C@H]1CO 7951cce53a202b9302c65296a50f2c17 [0,2,0,1,0,0|1,0,0]=4 37556 B12R1.395 CC(C)CCCOC1CC1C=O b39e61b03dc9c4e0c79bce13cfa39d36 [0,2,0,1,0,0|0,0,1]=4 37557 B12R1.395 CC(C)CCNCC1CC1CO 9841a7cfff066a3d546a1f7935c74b47 [0,2,0,1,0,0|1,0,0]=4 37558 B12R1.395 CC(C)CCOCC1CC1C#N a8ff40ac8b9b036c35452c6ed373b846 [0,2,0,1,0,0|0,0,1]=4 37559 B12R1.395 CC(O)CCCN[C@@H]1C[C@H]1CO 71dad51e4f20883b6e1e7693922ce6ac [0,2,0,1,0,0|1,0,0]=4 37560 B12R1.395 CC(O)CCCN[C@H]1C[C@@H]1CO 3a9119ff6279fe65e1b746735e0d120c [0,2,0,1,0,0|1,0,0]=4 37561 B12R1.395 CC(O)CCCN[C@H]1C[C@H]1CO f2e4104fdd50f43dd4c4fe1165ab35c1 [0,2,0,1,0,0|1,0,0]=4 37562 B12R1.395 CC(O)CCNCC1CC1CO 5f6da3c11166e74b30159524bd0fb653 [0,2,0,1,0,0|1,0,0]=4 37563 B12R1.395 CO[C@H]1C[C@H]1NCCCC(C)C 0e866409d47cd3e67bbcbb5f243a8559 [0,2,0,1,0,0|1,0,0]=4 37564 B12R1.395 CO[C@H]1C[C@H]1NCCCC(C)O 631ae47fd1bd5142fe070b97b2d3f3b4 [0,2,0,1,0,0|1,0,0]=4 37565 B12R1.861 CC(C)CCN1C[C@@H](C[C@@H]1C)F 36a9655b23575f5f63320ffa38a085fd [0,2,0,1,0,0|1,0,0]=4 37566 B12R1.861 CC(C)CCN1C[C@@H](C[C@@H]1C)O 7c6bc23f77c338cc335d15ac952cc60c [0,2,0,1,0,0|1,0,0]=4 37567 B12R1.861 CC(C)CCN1C[C@@H](C[C@H]1C)F 512761f8114077947a379ea0568b28fe [0,2,0,1,0,0|1,0,0]=4 37568 B12R1.861 CC(C)CCN1C[C@@H](C[C@H]1C)O 2a6c60bde80822f586180a9c38f11449 [0,2,0,1,0,0|1,0,0]=4 37569 B12R1.861 CC(C)CCN1C[C@H](C[C@@H]1C)F 6f1d91990782aa747339c11cfc094045 [0,2,0,1,0,0|1,0,0]=4 37570 B12R1.861 CC(C)CCN1C[C@H](C[C@@H]1C)O 90872a6888359d97adce250eeec6f7e2 [0,2,0,1,0,0|1,0,0]=4 37571 B12R1.861 CC(C)CCN1C[C@H](C[C@H]1C)F f2afc8d9f1e6ad69f910dd4a92d737e8 [0,2,0,1,0,0|1,0,0]=4 37572 B12R1.861 CC(C)CCN1C[C@H](C[C@H]1C)O 7d015d2b2917ee8321f77a3ba6bda7ab [0,2,0,1,0,0|1,0,0]=4 37573 B12R1.861 CC(O)CCN1C[C@@H](C[C@@H]1C)F 40d1f46fd3becab413622dfe632d708b [0,2,0,1,0,0|1,0,0]=4 37574 B12R1.861 CC(O)CCN1C[C@@H](C[C@@H]1C)O 8fffc5823c4e29b4cf18587c70713e8b [0,2,0,1,0,0|1,0,0]=4 37575 B12R1.861 CC(O)CCN1C[C@@H](C[C@H]1C)F 0db0307183a36705045d21deaa028747 [0,2,0,1,0,0|1,0,0]=4 37576 B12R1.861 CC(O)CCN1C[C@@H](C[C@H]1C)O eb1bc5e77161e5b984d1d99c079262d8 [0,2,0,1,0,0|1,0,0]=4 37577 B12R1.861 CC(O)CCN1C[C@H](C[C@@H]1C)F 8114c05256a7f1c22b2c05d4cdcf4dd0 [0,2,0,1,0,0|1,0,0]=4 37578 B12R1.861 CC(O)CCN1C[C@H](C[C@@H]1C)O 64eb699e220614053eeb6d64c06d99e4 [0,2,0,1,0,0|1,0,0]=4 37579 B12R1.861 CC(O)CCN1C[C@H](C[C@H]1C)F 55112826e98d6770f40dc972e3175c2a [0,2,0,1,0,0|1,0,0]=4 37580 B12R1.861 CC(O)CCN1C[C@H](C[C@H]1C)O be6d60239ce1258d81efacc78f5b681a [0,2,0,1,0,0|1,0,0]=4 37581 B12R1.1246 CC(C)CCOCC1(CC1F)C ac8d27ca3056ee64f1542212f8c1a905 [0,2,0,1,0,0|1,0,0]=4 37582 B12R1.1277 CC(C)CCCN1C(CC1C)C aee32ce9c38a9a25f67e9a5f4a7a88ca [0,2,0,1,0,0|1,0,0]=4 37583 B12R1.1277 CC(C)CCCN1[C@@H](C[C@@H]1C)C a7b20dc1bd788da33cb73f52f570e84a [0,2,0,1,0,0|1,0,0]=4 37584 B12R1.1277 CC(C)CCCN1[C@@H](C[C@H]1C)C 85e0c7526919a2f343d6f8cc1f3f68ee [0,2,0,1,0,0|1,0,0]=4 37585 B12R1.1277 CC(C)CCCN1[C@H](C[C@@H]1C)C 64b6a499c7015cf22e12fb79c15ad8ab [0,2,0,1,0,0|1,0,0]=4 37586 B12R1.1277 CC(O)CCCN1C(CC1C)C 0dc799b03eced645b57bfde880cf8273 [0,2,0,1,0,0|1,0,0]=4 37587 B12R1.1277 CC(O)CCCN1[C@@H](C[C@@H]1C)C e4fb1f2dc16aa47ab18c15f8c26b50ce [0,2,0,1,0,0|1,0,0]=4 37588 B12R1.1277 CC(O)CCCN1[C@@H](C[C@H]1C)C d7fa2beece059b81a3de49016a0b1105 [0,2,0,1,0,0|1,0,0]=4 37589 B12R1.1277 CC(O)CCCN1[C@H](C[C@@H]1C)C 4187432b310e76e26e4611cbc5b0ef2e [0,2,0,1,0,0|1,0,0]=4 37590 B12R1.1356 C=C(C)CCCOC(C)C1CC1 c5434330bdb6f9344b3264aa7a3f9e2d [0,2,0,1,0,0|0,0,1]=4 37591 B12R1.1356 C=C(C)CCCO[C@@H](C)C1CC1 f804fc7b1c54fe7b664b4d61a420ccba [0,2,0,1,0,0|0,0,1]=4 37592 B12R1.1356 C=C(C)CCCO[C@H](C)C1CC1 6e5b34a453e9a20da4a6aa02614bf392 [0,2,0,1,0,0|0,0,1]=4 37593 B12R1.1356 C=C(C)CCOCC(C)C1CC1 8544e79150b557ff8fd89ae38cb18e1a [0,2,0,1,0,0|0,0,1]=4 37594 B12R1.1356 CC(=O)CCCOC(C)C1CC1 e0eb2d7275d4b72294c68941f24743ff [0,2,0,1,0,0|0,0,1]=4 37595 B12R1.1356 CC(=O)CCCO[C@@H](C)C1CC1 3848a0bedbcd988a0f1926d61d3a2546 [0,2,0,1,0,0|0,0,1]=4 37596 B12R1.1356 CC(=O)CCCO[C@H](C)C1CC1 0fae351e4cba73e76c6f72fcee45a4df [0,2,0,1,0,0|0,0,1]=4 37597 B12R1.1356 CC(=O)CCOCC(C)C1CC1 e7806f862972c117600642fe198a3b1b [0,2,0,1,0,0|0,0,1]=4 37598 B12R1.1356 CC(C)CCCNC(C)C1CC1 ac55ff4c4b1b14411d21b77000164097 [0,2,0,1,0,0|1,0,0]=4 37599 B12R1.1356 CC(C)CCCN[C@@H](C)C1CC1 5772e9e61c98e74cf5f7fe6aff24fa0c [0,2,0,1,0,0|1,0,0]=4 37600 B12R1.1356 CC(C)CCCN[C@H](C)C1CC1 8bc22bcdc2ae6dbe99cb3b62a4e82237 [0,2,0,1,0,0|1,0,0]=4 37601 B12R1.1356 CC(C)CCCOC(C)C1CC1 4dd04c70e06bff0ad31678de2a2a549c [0,2,0,1,0,0|0,0,0]=3 37602 B12R1.1356 CC(C)CCCO[C@@H](C)C1CC1 54a6f3daf9ab57dec3a767bc76ad0b97 [0,2,0,1,0,0|0,0,0]=3 37603 B12R1.1356 CC(C)CCCO[C@H](C)C1CC1 72f7851fa578d6aceb458334d22ed2dd [0,2,0,1,0,0|0,0,0]=3 37604 B12R1.1356 CC(C)CCNCC(O)C1CC1 2ee08265c8007a32d598c2d6bf098d0a [0,2,0,1,0,0|1,0,0]=4 37605 B12R1.1356 CC(C)CCOCC(=O)C1CC1 9af0b581ae5efc9f4b14c744f7808d96 [0,2,0,1,0,0|0,0,1]=4 37606 B12R1.1356 CC(C)CCOCC(C)C1CC1 44124477fdfd7a1a9e450dbc0d1c0ac9 [0,2,0,1,0,0|0,0,0]=3 37607 B12R1.1356 CC(C)OCCOC(C)C1CC1 d9bb08b6222f7192be4a3d132703938c [0,2,0,1,0,0|1,0,0]=4 37608 B12R1.1356 CC(C)OCCO[C@@H](C)C1CC1 2bf7501a2b54213d9b69bd127d3e5eed [0,2,0,1,0,0|1,0,0]=4 37609 B12R1.1356 CC(C)OCCO[C@H](C)C1CC1 7683e94a1274da7d4806ec881aef9534 [0,2,0,1,0,0|1,0,0]=4 37610 B12R1.1356 CC(C)OCOCC(C)C1CC1 214ba03d2353df103c4f7b1497b846fe [0,2,0,1,0,0|1,0,0]=4 37611 B12R1.1356 CC(C)SCCOC(C)C1CC1 5215ec5cebf73443cb80332cd16c0339 [0,2,0,1,0,0|1,0,0]=4 37612 B12R1.1356 CC(C)SCCO[C@@H](C)C1CC1 ecec42bdc84a52802b8560f956de2140 [0,2,0,1,0,0|1,0,0]=4 37613 B12R1.1356 CC(C)SCCO[C@H](C)C1CC1 89287c7fdfd0963eab59b58ec078e9f0 [0,2,0,1,0,0|1,0,0]=4 37614 B12R1.1356 CC(COCCN(C)C)C1CC1 e8a6556d5a63c145cbce12cb194654e6 [0,2,0,1,0,0|1,0,0]=4 37615 B12R1.1356 CC(COCCS(=O)C)C1CC1 9585d6e9eb8c87426fd57d717b18c715 [0,2,0,1,0,0|1,0,0]=4 37616 B12R1.1356 CC(O)CCCN[C@@H](C)C1CC1 8e88483b18533c41629d8dcca386bca3 [0,2,0,1,0,0|1,0,0]=4 37617 B12R1.1356 CC(O)CCCN[C@H](C)C1CC1 afb79a42f6b32df1c1b81251741e8ff4 [0,2,0,1,0,0|1,0,0]=4 37618 B12R1.1356 CC(O)CCNCC(O)C1CC1 dfa2bc192ac2e1a297dc991ccfcf1f20 [0,2,0,1,0,0|1,0,0]=4 37619 B12R1.1356 CC(OCCCN(C)C)C1CC1 8b6d6af500f01962446a1d801f30e1b4 [0,2,0,1,0,0|1,0,0]=4 37620 B12R1.1356 C[C@@H](O)CCNCC(O)C1CC1 324ecef7758506b8ce1125cefe5b9090 [0,2,0,1,0,0|1,0,0]=4 37621 B12R1.1356 C[C@@H](OCCCN(C)C)C1CC1 7af083e20ac82fc61828bfc19b21fdd7 [0,2,0,1,0,0|1,0,0]=4 37622 B12R1.1356 C[C@H](O)CCNCC(O)C1CC1 e4198b3d573a99e716acf3a0225a050e [0,2,0,1,0,0|1,0,0]=4 37623 B12R1.1356 C[C@H](OCCCN(C)C)C1CC1 44777d2c156b55d7fde5dfa231cfeb2e [0,2,0,1,0,0|1,0,0]=4 37624 B12R1.1571 CCCC(C)OC1CCC1(F)F 6176b990b0a143364049329298dbc31d [0,2,0,1,0,0|1,0,0]=4 37625 B12R1.1571 CCCC(C)OC1COC1(C)C d20371c5e2f1339e302ec053a67d403c [0,2,0,1,0,0|1,0,0]=4 37626 B12R1.1571 CCC[C@@H](C)OC1CCC1(F)F 88e8bf1b296d1a71aff78e361dbed8c0 [0,2,0,1,0,0|1,0,0]=4 37627 B12R1.1571 CCC[C@H](C)OC1CCC1(F)F c8994ec8d7a505059f85bbf23ef57948 [0,2,0,1,0,0|1,0,0]=4 37628 B12R1.1571 COCC(C)OC1CCC1(C)C fb0c1b7d7b021c3910b681dbd59053c5 [0,2,0,1,0,0|1,0,0]=4 37629 B12R1.1572 CCCC(C)CNC1CC1(C)C 8e3f6ed06e2c8704034d6a778998e3c9 [0,2,0,1,0,0|1,0,0]=4 37630 B12R1.1572 CCCC(C)CN[C@@H]1CC1(C)C fc2f28478d718678ca97f501a1157767 [0,2,0,1,0,0|1,0,0]=4 37631 B12R1.1572 CCCC(C)CN[C@H]1CC1(C)C 69bdf35604529cc27a62b8207c69b27a [0,2,0,1,0,0|1,0,0]=4 37632 B12R1.1572 CCCC(C)COC1CC1(C)C 5257d5a4fa451dde7061b1a2765b7550 [0,2,0,1,0,0|0,0,0]=3 37633 B12R1.1572 CCCC(C)COC1CC1(F)F 975930e9a8bb14e00929cec571e86a75 [0,2,0,1,0,0|1,0,0]=4 37634 B12R1.1572 CCCC(C)NC[C@@H]1CC1(C)C 4e2dc12ac4796c9fd0f68e49689342db [0,2,0,1,0,0|1,0,0]=4 37635 B12R1.1572 CCCC(C)NC[C@H]1CC1(C)C 8c6f7a4b2403f354e017f99b1f6cb0ff [0,2,0,1,0,0|1,0,0]=4 37636 B12R1.1572 CCCC(C)OCC1CC1(C)C 9c408a808807f897e09bd8f190587bb3 [0,2,0,1,0,0|0,0,0]=3 37637 B12R1.1572 CCCC(C)OCC1CC1(F)F f8f91913590402775d6cec1dd41c882f [0,2,0,1,0,0|1,0,0]=4 37638 B12R1.1572 CCCC(C)OC[C@@H]1CC1(C)C c1f8ec3243698e92ef8958d14aac48a9 [0,2,0,1,0,0|0,0,0]=3 37639 B12R1.1572 CCCC(C)OC[C@@H]1CC1(F)F 9045354dc4d9a0cf4762048fab10d377 [0,2,0,1,0,0|1,0,0]=4 37640 B12R1.1572 CCCC(C)OC[C@H]1CC1(C)C af53a7256426080227e91b416ce5c5fc [0,2,0,1,0,0|0,0,0]=3 37641 B12R1.1572 CCCC(C)OC[C@H]1CC1(F)F 8164b8e35d1e8e843223ed3630e4c516 [0,2,0,1,0,0|1,0,0]=4 37642 B12R1.1572 CCCC(O)CNC1CC1(C)C 1f61cbed6af7e93b6064a85e95da07a5 [0,2,0,1,0,0|1,0,0]=4 37643 B12R1.1572 CCC[C@@H](C)OCC1CC1(F)F e36ce858e9aa9b0d895a1ec3535ee4a1 [0,2,0,1,0,0|1,0,0]=4 37644 B12R1.1572 CCC[C@@H](C)OC[C@H]1CC1(F)F 680b3b874738920214d0972b64c0fbb0 [0,2,0,1,0,0|1,0,0]=4 37645 B12R1.1572 CCC[C@H](C)OCC1CC1(F)F 65de1b3ae1563089b17221408d0c038d [0,2,0,1,0,0|1,0,0]=4 37646 B12R1.1572 CCC[C@H](C)OC[C@H]1CC1(F)F 7092aa78cbc5ad1076c16b82d9bef518 [0,2,0,1,0,0|1,0,0]=4 37647 B12R1.1572 CCOC(C)COC1CC1(C)C 030364fa6f7d016864b3c0eb8dbeec13 [0,2,0,1,0,0|1,0,0]=4 37648 B12R1.1572 COCC(C)COC1CC1(C)C 8c48c5b1b9f5b29339204f8ca33519c9 [0,2,0,1,0,0|1,0,0]=4 37649 B12R1.1572 COCC(C)OCC1CC1(C)C 50f32288a13d506da90ddfb63d9d69dd [0,2,0,1,0,0|1,0,0]=4 37650 B12R1.1572 COCC(C)OC[C@@H]1CC1(C)C fcebfadd3cdace4da930da1da9c970bf [0,2,0,1,0,0|1,0,0]=4 37651 B12R1.1572 COCC(C)OC[C@H]1CC1(C)C 10b5dbc3ad45db2b8db378776f82d3b2 [0,2,0,1,0,0|1,0,0]=4 37652 B12R1.1572 COC[C@H](C)COC1CC1(C)C 4fd45b5360ccdb63942425a8ad46eba2 [0,2,0,1,0,0|1,0,0]=4 37653 B12R1.2795 C=C(C)CCOCC1(CCC1)C 257e58dc07ed1116647fa5ea4dfd74de [0,2,0,1,0,0|0,0,1]=4 37654 B12R1.2795 C=C(C)CCOCC1(CCC1)F d70d43c8e5f643bc07c28e6ac8fc6666 [0,2,0,1,0,0|0,0,1]=4 37655 B12R1.2795 CC(=O)CCOCC1(CCC1)C f1534f4eacbc4e9458e6211ba0d6f78a [0,2,0,1,0,0|0,0,1]=4 37656 B12R1.2795 CC(=O)CCOCC1(CCC1)F b782262cd782bd5f8bba65f12074e245 [0,2,0,1,0,0|0,0,1]=4 37657 B12R1.2795 CC(C)CCCNC1(CCC1)C 451489b9a2f209c0d5192eedbc315187 [0,2,0,1,0,0|1,0,0]=4 37658 B12R1.2795 CC(C)CCNCC1(CCC1)C 3da6c88dea143dad43061597b80039b8 [0,2,0,1,0,0|1,0,0]=4 37659 B12R1.2795 CC(C)CCNCC1(CCC1)O 2207e64ba9b96d4f6aa634a519d4a376 [0,2,0,1,0,0|1,0,0]=4 37660 B12R1.2795 CC(C)CCOCC1(CCC1)C 3194001394c376d68441c42eac7115af [0,2,0,1,0,0|0,0,0]=3 37661 B12R1.2795 CC(C)CCOCC1(CCC1)F 0c5110d7fb0fca6b9ed36afe2d922078 [0,2,0,1,0,0|0,0,0]=3 37662 B12R1.2795 CC(C)CCOCC1(CCO1)C c3ae12250999ec1253573d432249bb4c [0,2,0,1,0,0|1,0,0]=4 37663 B12R1.2795 CC(C)CCOCC1(COC1)C dd92c1722bcff70d135672ac7e2115b5 [0,2,0,1,0,0|1,0,0]=4 37664 B12R1.2795 CC(C)CCOCC1(COC1)F 65ca8a03e4e16775ccc717434d829a92 [0,2,0,1,0,0|1,0,0]=4 37665 B12R1.2795 CC(C)CCOCC1(CSC1)C db6c7e19d8c24ac0169bfe9a154c0c8e [0,2,0,1,0,0|1,0,0]=4 37666 B12R1.2795 CC(C)CCOC[C@@]1(CCO1)C dd702b518411798d8c0b358515127acb [0,2,0,1,0,0|1,0,0]=4 37667 B12R1.2795 CC(C)CCOC[C@]1(CCO1)C 4f30a4c46833f2681b873edfe85e3eec [0,2,0,1,0,0|1,0,0]=4 37668 B12R1.2795 CC(C)OCOCC1(CCC1)C ba9158a84ec740f400866fb50b9c7f10 [0,2,0,1,0,0|1,0,0]=4 37669 B12R1.2795 CC(C)OCOCC1(CCC1)F 1327d2610127ee2fd0b85dc661766458 [0,2,0,1,0,0|1,0,0]=4 37670 B12R1.2795 CC(O)CCCNC1(CCC1)C db3e49b919c77b39976e6b115c4e29b0 [0,2,0,1,0,0|1,0,0]=4 37671 B12R1.2795 CC(O)CCNCC1(CCC1)C e600e402b38296f2ac63069b062039d3 [0,2,0,1,0,0|1,0,0]=4 37672 B12R1.2795 CC(O)CCNCC1(CCC1)O 6f37be98cc2dfd7526b32175ed2774b6 [0,2,0,1,0,0|1,0,0]=4 37673 B12R1.2795 CC1(CCC1)COCCC(F)F ee1b8fe7a6c5ed42b3710328314898dd [0,2,0,1,0,0|1,0,0]=4 37674 B12R1.2795 CN(C)CCOCC1(CCC1)C 73d9475c0c4d886e283fb6571cefb49a [0,2,0,1,0,0|1,0,0]=4 37675 B12R1.2795 CN(C)CCOCC1(CCC1)F 1729f0946fbb8ec042c05d3c0b1700b6 [0,2,0,1,0,0|1,0,0]=4 37676 B12R1.2795 CS(=O)CCOCC1(CCC1)C 61e21f79261fc888390022ee2e706393 [0,2,0,1,0,0|1,0,0]=4 37677 B12R1.2795 CS(=O)CCOCC1(CCC1)F 3b0242e9d85c018d06d50ad04fd9bfcb [0,2,0,1,0,0|1,0,0]=4 37678 B12R1.2795 C[C@@H](O)CCNCC1(CCC1)C 6689e3be986f43d71972691b15443dcc [0,2,0,1,0,0|1,0,0]=4 37679 B12R1.2795 C[C@H](O)CCNCC1(CCC1)C 7dbebe09cb5c7f315c6a930e204424df [0,2,0,1,0,0|1,0,0]=4 37680 B12R1.377 CCCCN1CC(C[C@@H]1C)(F)F 5a4ce02c1d391daa22a387e7a3bff759 [0,2,0,1,0,0|1,0,0]=4 37681 B12R1.459 CC1(CCCC1OCCCF)C 880037ddb282fd3457d5a1d8e875fce0 [0,2,0,1,0,0|1,0,0]=4 37682 B12R1.459 CC1(CCCC1OCCCS)C 220d0e7ad20b63a4d34afba0836088b0 [0,2,0,1,0,0|1,0,0]=4 37683 B12R1.459 CC1(CCCN1CCCCF)C 4881521142a2975de303f0c2cc311575 [0,2,0,1,0,0|1,0,0]=4 37684 B12R1.459 CC1(CCCN1CCCCO)C e14ebd9f81af9b38290b86d63ea4dafc [0,2,0,1,0,0|1,0,0]=4 37685 B12R1.459 CC1(CCC[C@@H]1OCCCF)C 97c9d559150dbebfe1f17ac251748a92 [0,2,0,1,0,0|1,0,0]=4 37686 B12R1.459 CC1(CCC[C@@H]1OCCCS)C f63e6fc65161fc1a0b8e188f16b6d85a [0,2,0,1,0,0|1,0,0]=4 37687 B12R1.459 CC1(CCC[C@H]1OCCCF)C e58be465cbb2fffaa72e1d6de0f0a839 [0,2,0,1,0,0|1,0,0]=4 37688 B12R1.459 CC1(CCC[C@H]1OCCCS)C f4409a520de26f91006a8450d4397de2 [0,2,0,1,0,0|1,0,0]=4 37689 B12R1.459 CCCCCN1CCCC1(C)C b3ba3c574032aa14718fc5901788ae82 [0,2,0,1,0,0|1,0,0]=4 37690 B12R1.459 CCCCCN1CCOC1(C)C e6e7ff1ce7d185f0cbca06fc453222ba [0,2,0,1,0,0|1,0,0]=4 37691 B12R1.459 CCCCCN1CCSC1(C)C 69361a822fbfdabc71f7dba0f8aedfcd [0,2,0,1,0,0|1,0,0]=4 37692 B12R1.459 CCCCCN1COCC1(C)C 255e0b57abeeae41d44004985634ad61 [0,2,0,1,0,0|1,0,0]=4 37693 B12R1.459 CCCCNC1CCCC1(C)C 3083850443a7dd71ea530cc3d542b6bd [0,2,0,1,0,0|1,0,0]=4 37694 B12R1.459 CCCCNC1CCCC1(C)O cd0d5792c45cc05bd48edae2ac432fff [0,2,0,1,0,0|1,0,0]=4 37695 B12R1.459 CCCCNC1CCCC1(F)F 4f34c0ec1bdf607a9a40f0e243fafbd6 [0,2,0,1,0,0|1,0,0]=4 37696 B12R1.459 CCCCNC1CCOC1(C)C 71e6cdf7cdedac06aed5334703a9b636 [0,2,0,1,0,0|1,0,0]=4 37697 B12R1.459 CCCCN[C@@H]1CCC[C@@]1(C)O e464c92e88374105aef2a8134cf63636 [0,2,0,1,0,0|1,0,0]=4 37698 B12R1.459 CCCCN[C@H]1CCC[C@]1(C)O 195dd8692808db67e786e708f559fc8c [0,2,0,1,0,0|1,0,0]=4 37699 B12R1.459 CCCCOC1CCCC1(C)C 18a58fa7d4186ff95878cdeb67abbe6b [0,2,0,1,0,0|0,0,0]=3 37700 B12R1.459 CCCCOC1CCCC1(F)F be430357b7397031affa914b1d3480b3 [0,2,0,1,0,0|0,0,0]=3 37701 B12R1.459 CCCCOC1COCC1(F)F 1b664726e370622089c1b4866fc27509 [0,2,0,1,0,0|1,0,0]=4 37702 B12R1.459 CCCCO[C@@H]1CCCC1(C)C 6f5b8ed48c28be79a95c771c358adbfb [0,2,0,1,0,0|0,0,0]=3 37703 B12R1.459 CCCCO[C@H]1CCCC1(C)C d7143126c19e31c76e5df951a092b0a9 [0,2,0,1,0,0|0,0,0]=3 37704 B12R1.459 CCNCCN1CCCC1(C)C 130a142c7311645de484552b02f2e5bc [0,2,0,1,0,0|1,0,0]=4 37705 B12R1.459 CCOCCN1CCCC1(C)C 47eada66ca9a5e83a6301533a274c13d [0,2,0,1,0,0|1,0,0]=4 37706 B12R1.459 CCOCOC1CCCC1(C)C f2e301f6b7ccd2f913b5236d5f0d39c6 [0,2,0,1,0,0|1,0,0]=4 37707 B12R1.459 CCOCOC1CCCC1(F)F bc0522cc0c8bf5aa8f4e1043358dbba9 [0,2,0,1,0,0|1,0,0]=4 37708 B12R1.459 CCOCO[C@@H]1CCCC1(C)C a55bf6c01e70695de01d388d1e95003b [0,2,0,1,0,0|1,0,0]=4 37709 B12R1.459 CCOCO[C@H]1CCCC1(C)C 546afbf401691cfa99bebc2a64ddea8f [0,2,0,1,0,0|1,0,0]=4 37710 B12R1.459 CCSCCN1CCCC1(C)C b915bdfd7251520747ec773fbc95dedd [0,2,0,1,0,0|1,0,0]=4 37711 B12R1.459 COCCCN1CCCC1(C)C 726599e640f602c694a62e77c67f3d70 [0,2,0,1,0,0|1,0,0]=4 37712 B12R1.459 COCCOC1CCCC1(C)C 0d928ee59d9a00076a00511ec4943181 [0,2,0,1,0,0|1,0,0]=4 37713 B12R1.459 COCCOC1CCCC1(F)F eae739266455f2656bc5fae07fa8ba4a [0,2,0,1,0,0|1,0,0]=4 37714 B12R1.459 COCCO[C@@H]1CCCC1(C)C 32a7b81a2c9d75ef0c19edeace9656dd [0,2,0,1,0,0|1,0,0]=4 37715 B12R1.459 COCCO[C@H]1CCCC1(C)C 84d9df3aa5c29841a6bcba5de3750b8d [0,2,0,1,0,0|1,0,0]=4 37716 B12R1.459 CSCCCN1CCCC1(C)C fe75f8633f184bee941fec6552fa14e1 [0,2,0,1,0,0|1,0,0]=4 37717 B12R1.459 CSCCOC1CCCC1(C)C 92f4c6920afada9819ab9a00bbdcb7d8 [0,2,0,1,0,0|1,0,0]=4 37718 B12R1.459 CSCCOC1CCCC1(F)F 312b6159e2bdb9f424fff8774ca0b70b [0,2,0,1,0,0|1,0,0]=4 37719 B12R1.459 CSCCO[C@@H]1CCCC1(C)C 322537a117d24aab75c33a3161515658 [0,2,0,1,0,0|1,0,0]=4 37720 B12R1.459 CSCCO[C@H]1CCCC1(C)C 6e40d42d66fbaa40dfa9729595671ab6 [0,2,0,1,0,0|1,0,0]=4 37721 B12R1.459 FC1(CCCC1OCCCS)F 5256f5a57cf4c80a3fb87e9d80f28a84 [0,2,0,1,0,0|1,0,0]=4 37722 B12R1.459 FCCCOC1CCCC1(F)F 8d61b799ebce840abae45aefeaa82af9 [0,2,0,1,0,0|1,0,0]=4 37723 B12R1.515 CCCC(C)(O)CNC1CCC1 dd9953e9f6e7932aa922cb7f34080085 [0,2,0,1,0,0|1,0,0]=4 37724 B12R1.515 CCOC(C)(C)COC1CCC1 142c6f4bb0e1ede9312d8e94f071bffc [0,2,0,1,0,0|1,0,0]=4 37725 B12R1.515 COCC(C)(C)COC1CCC1 17bac8d6e4ea3b199b314ef6f1b5212e [0,2,0,1,0,0|1,0,0]=4 37726 B12R1.516 CCCC(C)(O)CNCC1CC1 bd36df2195a18b55c1b2f0cecb7964b6 [0,2,0,1,0,0|1,0,0]=4 37727 B12R1.516 CCOC(C)(C)COCC1CC1 4caa8abf6245e6f86beb96212e0f5e60 [0,2,0,1,0,0|1,0,0]=4 37728 B12R1.516 COCC(C)(C)COCC1CC1 e0a1bacaab5bd15d43c21f391323d244 [0,2,0,1,0,0|1,0,0]=4 37729 B12R1.887 CCCCN1CCCC(C1)(C)C 0a6a7188603b70ef66a4528e8b1c7d4f [0,2,0,1,0,0|1,0,0]=4 37730 B12R1.887 CCCCN1CCCC(C1)(C)O e26d7952491df7fb3edfbcbf37d82f60 [0,2,0,1,0,0|1,0,0]=4 37731 B12R1.887 CCCCN1CCCC(C1)(F)F 2dde826a011e2924f1f10617f5d1a8ff [0,2,0,1,0,0|1,0,0]=4 37732 B12R1.887 CCCCN1CCC[C@@](C1)(C)O b057a1989562294024c01a384ba4895b [0,2,0,1,0,0|1,0,0]=4 37733 B12R1.887 CCCCN1CCC[C@](C1)(C)O 4fd5b55b53b53bcad0566f0ee4053c5f [0,2,0,1,0,0|1,0,0]=4 37734 B12R1.887 CCOCC1CCCC(O1)(C)C 7079587f31063e58c61fd69dbd7615e9 [0,2,0,1,0,0|1,0,0]=4 37735 B12R1.1422 CCCCNCC(C)(O)C1CC1 59dda42b0e5d7949337b417555dff406 [0,2,0,1,0,0|1,0,0]=4 37736 B12R1.105 C=C(C)CCOC1CCC(C1)C 799516892f9feeca917f5f86aeaec54f [0,2,0,1,0,0|0,0,1]=4 37737 B12R1.105 C=C(C)CCOC1CCC(C1)F 61e34842097703ca128b6bd1dbef7bab [0,2,0,1,0,0|0,0,1]=4 37738 B12R1.105 CC(=O)CCOC1CCC(C1)C dc1f97021c064dafed92deefab0538e7 [0,2,0,1,0,0|0,0,1]=4 37739 B12R1.105 CC(=O)CCOC1CCC(C1)F 6a00ccee5c0e948c523cac4da1b1287b [0,2,0,1,0,0|0,0,1]=4 37740 B12R1.105 CC(C)CCCN1CCC(C1)C 57e8bc1f143b8e5afb5eb2b4f9bb9550 [0,2,0,1,0,0|1,0,0]=4 37741 B12R1.105 CC(C)CCCN1CCC(C1)F 54bd10b7aa1fbb08aee8bcb26f10fe53 [0,2,0,1,0,0|1,0,0]=4 37742 B12R1.105 CC(C)CCCN1CCC(C1)O b68a30a2b474160841ebf23bc9c95477 [0,2,0,1,0,0|1,0,0]=4 37743 B12R1.105 CC(C)CCCN1CC[C@@H](C1)F aedab972824711cd539855880c708079 [0,2,0,1,0,0|1,0,0]=4 37744 B12R1.105 CC(C)CCCN1CC[C@@H](C1)O f96c04360fab5de6cd60b2768002cc26 [0,2,0,1,0,0|1,0,0]=4 37745 B12R1.105 CC(C)CCCN1CC[C@H](C1)F c9c7d20c953ce1645a116de182a98cb2 [0,2,0,1,0,0|1,0,0]=4 37746 B12R1.105 CC(C)CCCN1CC[C@H](C1)O 62c6e0f71cedc556afbb1f89cce97df6 [0,2,0,1,0,0|1,0,0]=4 37747 B12R1.105 CC(C)CCNC1CCC(C1)C ace66b1b3a4fff8b00bc23f7293fa443 [0,2,0,1,0,0|1,0,0]=4 37748 B12R1.105 CC(C)CCNC1CCC(C1)O bae78377e62a76240ae645f1656d068e [0,2,0,1,0,0|1,0,0]=4 37749 B12R1.105 CC(C)CCN[C@@H]1CC[C@@H](C1)O 0721d2d5237860693f768d21e3456a28 [0,2,0,1,0,0|1,0,0]=4 37750 B12R1.105 CC(C)CCN[C@@H]1CC[C@H](C1)O dedfc968a5a15804718ef3dea31897c5 [0,2,0,1,0,0|1,0,0]=4 37751 B12R1.105 CC(C)CCN[C@H]1CC[C@@H](C1)O cc7ecd52848e06d0a983b3a797cf47ce [0,2,0,1,0,0|1,0,0]=4 37752 B12R1.105 CC(C)CCN[C@H]1CC[C@H](C1)O 4c11dddb821c2b40a6c5e48fc3dc423f [0,2,0,1,0,0|1,0,0]=4 37753 B12R1.105 CC(C)CCOC1CCC(=O)C1 e2833ddd272d9c9d1a129d06b5df217f [0,2,0,1,0,0|0,0,1]=4 37754 B12R1.105 CC(C)CCOC1CCC(C1)C fbd44d6c1ad802f1ef3831860544083d [0,2,0,1,0,0|0,0,0]=3 37755 B12R1.105 CC(C)CCOC1CCC(C1)F ceb645636399fccad4ce8ef41714810a [0,2,0,1,0,0|0,0,0]=3 37756 B12R1.105 CC(C)CCOC1CCN(C1)C bbb15240e6dabe8268ebc38a7af250ef [0,2,0,1,0,0|1,0,0]=4 37757 B12R1.105 CC(C)CCOC1COC(C1)C 4bdf128f752159210660b11f7336cc57 [0,2,0,1,0,0|1,0,0]=4 37758 B12R1.105 CC(C)CCO[C@@H]1CCN(C1)C 68b06bd6e5d5d2f3195593baf9378a8b [0,2,0,1,0,0|1,0,0]=4 37759 B12R1.105 CC(C)CCO[C@H]1CCN(C1)C a750bf15f19cbd337b0dbeb98f3045ff [0,2,0,1,0,0|1,0,0]=4 37760 B12R1.105 CC(C)OCOC1CCC(C1)F 25e2fd82278efc918b78a52c29e09161 [0,2,0,1,0,0|1,0,0]=4 37761 B12R1.105 CC(O)CCCN1CCC(C1)C cf236460729cdb9d7b85f5e43aea5546 [0,2,0,1,0,0|1,0,0]=4 37762 B12R1.105 CC(O)CCCN1CCC(C1)F c9fb239e93ea63a726e5fecb56d42d68 [0,2,0,1,0,0|1,0,0]=4 37763 B12R1.105 CC(O)CCCN1CCC(C1)O a0395e9eb7fff35c1cc3e102fe561a01 [0,2,0,1,0,0|1,0,0]=4 37764 B12R1.105 CC(O)CCCN1CC[C@@H](C1)F 765f6678af0aa115ae83228920e8759f [0,2,0,1,0,0|1,0,0]=4 37765 B12R1.105 CC(O)CCCN1CC[C@@H](C1)O 134a4bca6c878a35939dcf09bc9ab8cf [0,2,0,1,0,0|1,0,0]=4 37766 B12R1.105 CC(O)CCCN1CC[C@H](C1)F d93cd88a3fcde5a583b09a8e282623f6 [0,2,0,1,0,0|1,0,0]=4 37767 B12R1.105 CC(O)CCCN1CC[C@H](C1)O fc77e570c76d18f0a27f2466ef086249 [0,2,0,1,0,0|1,0,0]=4 37768 B12R1.105 CC(O)CCNC1CCC(C1)C 5538731d3ea88d374fa20bfa213ce1fa [0,2,0,1,0,0|1,0,0]=4 37769 B12R1.105 CC(O)CCNC1CCC(C1)O 1b5f51174773fc7cb53c9efbb0739037 [0,2,0,1,0,0|1,0,0]=4 37770 B12R1.105 CC(O)CCN[C@@H]1CC[C@@H](C1)O 30234759b5d3171598dfb39aeb2fad38 [0,2,0,1,0,0|1,0,0]=4 37771 B12R1.105 CC(O)CCN[C@@H]1CC[C@H](C1)O 9a40f36adafc412d6eebe110aab988f6 [0,2,0,1,0,0|1,0,0]=4 37772 B12R1.105 CC(O)CCN[C@H]1CC[C@@H](C1)O 556a5bf5e3dae587c69bb360ac032292 [0,2,0,1,0,0|1,0,0]=4 37773 B12R1.105 CC(O)CCN[C@H]1CC[C@H](C1)O c8225fd96a17fa5b8f0d1ea0f4d83bc5 [0,2,0,1,0,0|1,0,0]=4 37774 B12R1.105 CC1CCC(C1)OCCN(C)C f47c6a6a7a8c6dbe88c2b4c11f9b4beb [0,2,0,1,0,0|1,0,0]=4 37775 B12R1.105 CC1CCC(C1)OCCS(=O)C 0890f7cf3ee152b64a1c8420fa67bd73 [0,2,0,1,0,0|1,0,0]=4 37776 B12R1.105 CC1CCC(C1)OCOC(C)C c361e473d2906ce35face1bd060cde59 [0,2,0,1,0,0|1,0,0]=4 37777 B12R1.105 CN(C)CCOC1CCC(C1)F 43310d330c13cd57ef59106f1e26a726 [0,2,0,1,0,0|1,0,0]=4 37778 B12R1.105 CS(=O)CCOC1CCC(C1)F ad0fde7f56f282d89baa85d115b9d3c6 [0,2,0,1,0,0|1,0,0]=4 37779 B12R1.143 C=C(C)CCCOCC1CC1C 4a157e18e3b824c8e50ab5753dd8a3bf [0,2,0,1,0,0|0,0,0]=3 37780 B12R1.143 C=C(C)CCCOC[C@@H]1C[C@@H]1C 948b9673faf0ea3e4f19aaff828cc04d [0,2,0,1,0,0|0,0,0]=3 37781 B12R1.143 C=C(C)CCCOC[C@@H]1C[C@@H]1F e8404f8b61d8744e926657abec78be03 [0,2,0,1,0,0|0,0,1]=4 37782 B12R1.143 C=C(C)CCCOC[C@@H]1C[C@H]1C 863d1b9a4e0450c71bf1170ab9c077c2 [0,2,0,1,0,0|0,0,0]=3 37783 B12R1.143 C=C(C)CCCOC[C@@H]1C[C@H]1F ed5cfc9076ed359a71defea03ec1f249 [0,2,0,1,0,0|0,0,1]=4 37784 B12R1.143 C=C(C)CCCOC[C@H]1C[C@@H]1C 16da1cd242ac69578c59f9cf0f8f36eb [0,2,0,1,0,0|0,0,0]=3 37785 B12R1.143 C=C(C)CCCOC[C@H]1C[C@@H]1F af96310f6cf35febd8b6761ccbf9ec52 [0,2,0,1,0,0|0,0,1]=4 37786 B12R1.143 C=C(C)CCCOC[C@H]1C[C@H]1F 1d3e3329dfcda80c090c1e771721b9fa [0,2,0,1,0,0|0,0,1]=4 37787 B12R1.143 C=C1CC1COCCCC(C)C 0509ecdeff9bd9b343c7085e75b2e91a [0,2,0,1,0,0|0,0,1]=4 37788 B12R1.143 CC(=CCCOCC1CC1C)C af3b7836c0f1ef2a200071440025d627 [0,2,0,1,0,0|0,0,1]=4 37789 B12R1.143 CC(=CCCOC[C@@H]1C[C@@H]1C)C 4989a4768128dffd2d0a678739a03926 [0,2,0,1,0,0|0,0,1]=4 37790 B12R1.143 CC(=CCCOC[C@@H]1C[C@H]1C)C 7431a326e776e9ed38b72f273aa9a2ec [0,2,0,1,0,0|0,0,1]=4 37791 B12R1.143 CC(=CCCOC[C@H]1C[C@@H]1C)C 68a4bc84ebb02d6b3dfcdaf35d8bb722 [0,2,0,1,0,0|0,0,1]=4 37792 B12R1.143 CC(=O)CCCCNC1CC1C 55bbf993b7c8f2bbf1ac7a79455b05b3 [0,2,0,1,0,0|1,0,0]=4 37793 B12R1.143 CC(=O)CCCOCC1CC1C aa22d4f4262dfa088fd4f2328334e4ab [0,2,0,1,0,0|0,0,0]=3 37794 B12R1.143 CC(=O)CCCOC[C@@H]1C[C@@H]1C 7c7fcdf9159e672ec3f9c82e191b90b0 [0,2,0,1,0,0|0,0,0]=3 37795 B12R1.143 CC(=O)CCCOC[C@@H]1C[C@@H]1F e6ea1df9acbdbcbffc9ce3ec9b4fa4ec [0,2,0,1,0,0|0,0,1]=4 37796 B12R1.143 CC(=O)CCCOC[C@@H]1C[C@H]1C 4068970b116183d71203a662da6b161d [0,2,0,1,0,0|0,0,0]=3 37797 B12R1.143 CC(=O)CCCOC[C@@H]1C[C@H]1F 57c7a7d4f8bc62d698f26c383300d591 [0,2,0,1,0,0|0,0,1]=4 37798 B12R1.143 CC(=O)CCCOC[C@H]1C[C@@H]1C 69388d143590813b85339ade60aa3c70 [0,2,0,1,0,0|0,0,0]=3 37799 B12R1.143 CC(=O)CCCOC[C@H]1C[C@@H]1F d04d86a62664017f1c4167d9d546f1a1 [0,2,0,1,0,0|0,0,1]=4 37800 B12R1.143 CC(=O)CCCOC[C@H]1C[C@H]1F 0aefcdf96cb7217ebc7d85a3eedbe706 [0,2,0,1,0,0|0,0,1]=4 37801 B12R1.143 CC(=O)NCCOCC1CC1C bbc6549178e2e820a9759fe16bacc4e4 [0,2,0,1,0,0|0,0,1]=4 37802 B12R1.143 CC(=O)NCCOC[C@@H]1C[C@@H]1C 4392cbbf308d89cf0f9ca7d93d8d9fbb [0,2,0,1,0,0|0,0,1]=4 37803 B12R1.143 CC(=O)NCCOC[C@@H]1C[C@H]1C 542ebcad3ee25a5e2bd0bb1078636589 [0,2,0,1,0,0|0,0,1]=4 37804 B12R1.143 CC(=O)NCCOC[C@H]1C[C@@H]1C b4e7023d422f85327bb4b3a8ff681aa1 [0,2,0,1,0,0|0,0,1]=4 37805 B12R1.143 CC(=O)OCCOCC1CC1C 6eb652e79e2e6b62ec6b571fca5c4be8 [0,2,0,1,0,0|0,0,1]=4 37806 B12R1.143 CC(=O)OCCOC[C@@H]1C[C@@H]1C 21f49a1e7b9163ffe297c653cebb2edb [0,2,0,1,0,0|0,0,1]=4 37807 B12R1.143 CC(=O)OCCOC[C@@H]1C[C@H]1C 026e9784d7f355174ceb4c9bc8e72cd4 [0,2,0,1,0,0|0,0,1]=4 37808 B12R1.143 CC(=O)OCCOC[C@H]1C[C@@H]1C 40a66b1e2269d0ae0627d19f681e1dd6 [0,2,0,1,0,0|0,0,1]=4 37809 B12R1.143 CC(=O)SCCOCC1CC1C 95c0a70dc17a12a9197ee0ae861dae9e [0,2,0,1,0,0|0,0,1]=4 37810 B12R1.143 CC(=O)SCCOC[C@@H]1C[C@@H]1C 048fe3c3ab1111e8b8b80d244f62105f [0,2,0,1,0,0|0,0,1]=4 37811 B12R1.143 CC(=O)SCCOC[C@@H]1C[C@H]1C f3719ce4e820757f1e3c96cae842b842 [0,2,0,1,0,0|0,0,1]=4 37812 B12R1.143 CC(=O)SCCOC[C@H]1C[C@@H]1C 15a81dc573ae176d6f36778ab1447692 [0,2,0,1,0,0|0,0,1]=4 37813 B12R1.143 CC(C)/C=C/COCC1CC1C 052da110ffeb1436bb979a6999478fad [0,2,0,1,0,0|0,0,1]=4 37814 B12R1.143 CC(C)/C=C/COC[C@@H]1C[C@@H]1C fd63f3be84970854bd15ebd18fba9727 [0,2,0,1,0,0|0,0,1]=4 37815 B12R1.143 CC(C)/C=C/COC[C@@H]1C[C@H]1C 60969bd231b9e5d59432da1a18fefe7d [0,2,0,1,0,0|0,0,1]=4 37816 B12R1.143 CC(C)/C=C/COC[C@H]1C[C@@H]1C 54b4deffce4e8539c4445780ac7cc1e6 [0,2,0,1,0,0|0,0,1]=4 37817 B12R1.143 CC(C)CCCCNC1CC1C 7dd40b309285d27f47992d72724c7a95 [0,2,0,1,0,0|1,0,0]=4 37818 B12R1.143 CC(C)CCCOCC1CC1C 46606da454d203c70411fe571b24f097 [0,2,0,1,0,0|0,0,0]=3 37819 B12R1.143 CC(C)CCCOC[C@@H]1C[C@@H]1C c1db9ef3db44480d32efbe6686a9fdd2 [0,2,0,1,0,0|0,0,0]=3 37820 B12R1.143 CC(C)CCCOC[C@@H]1C[C@@H]1F 8ffae98c46f983db3ad25780112d4c45 [0,2,0,1,0,0|0,0,0]=3 37821 B12R1.143 CC(C)CCCOC[C@@H]1C[C@H]1C 209cba845e05b0c46f0812c9cada77b0 [0,2,0,1,0,0|0,0,0]=3 37822 B12R1.143 CC(C)CCCOC[C@@H]1C[C@H]1F 3418b3e71834e8ecc1fa8534812fae67 [0,2,0,1,0,0|0,0,0]=3 37823 B12R1.143 CC(C)CCCOC[C@H]1C[C@@H]1C 8f2431ec6beba1f602e047c0e14a2baf [0,2,0,1,0,0|0,0,0]=3 37824 B12R1.143 CC(C)CCCOC[C@H]1C[C@@H]1F 5f8d433250e4cccc145755727b97b99b [0,2,0,1,0,0|0,0,0]=3 37825 B12R1.143 CC(C)CCCOC[C@H]1C[C@H]1F 5a839e5658efe776bc0ecf3ce3e7e212 [0,2,0,1,0,0|0,0,0]=3 37826 B12R1.143 CC(C)COCCNC1CC1C fd0e22657df242c7b95905b8261725a0 [0,2,0,1,0,0|1,0,0]=4 37827 B12R1.143 CC(C)OCCOCC1CC1C 9caf3765fab80e75f30bc5636a044587 [0,2,0,1,0,0|0,0,0]=3 37828 B12R1.143 CC(C)OCCOC[C@@H]1C[C@@H]1C 7e918b452f52b884d0857d721ad76242 [0,2,0,1,0,0|0,0,0]=3 37829 B12R1.143 CC(C)OCCOC[C@@H]1C[C@@H]1F 3610a6087e1f32da82c6527d46eecdcd [0,2,0,1,0,0|1,0,0]=4 37830 B12R1.143 CC(C)OCCOC[C@@H]1C[C@H]1C ec2bf896ff5d7547b879a77daa0abb73 [0,2,0,1,0,0|0,0,0]=3 37831 B12R1.143 CC(C)OCCOC[C@@H]1C[C@H]1F b8aac8b2bb1468f63b62e3bf3d931bfd [0,2,0,1,0,0|1,0,0]=4 37832 B12R1.143 CC(C)OCCOC[C@H]1C[C@@H]1C 544eb5c50ee298127a645087b2e9d4dc [0,2,0,1,0,0|0,0,0]=3 37833 B12R1.143 CC(C)OCCOC[C@H]1C[C@@H]1F a99437c2db01f903edeea1fc445d34f9 [0,2,0,1,0,0|1,0,0]=4 37834 B12R1.143 CC(C)OCCOC[C@H]1C[C@H]1F ee19600d6298c062bcaa3e7f45713da7 [0,2,0,1,0,0|1,0,0]=4 37835 B12R1.143 CC(C)SCCOCC1CC1C 90520eac86048d22c44e59e43a309691 [0,2,0,1,0,0|0,0,0]=3 37836 B12R1.143 CC(C)SCCOC[C@@H]1C[C@@H]1C 5c9b55ac5e20e22ed37e46f86c234af7 [0,2,0,1,0,0|0,0,0]=3 37837 B12R1.143 CC(C)SCCOC[C@@H]1C[C@@H]1F 37d0fc378801e8429de75ef0175e380a [0,2,0,1,0,0|1,0,0]=4 37838 B12R1.143 CC(C)SCCOC[C@@H]1C[C@H]1C 45b251e4b4add50f5a84ee2c223def54 [0,2,0,1,0,0|0,0,0]=3 37839 B12R1.143 CC(C)SCCOC[C@@H]1C[C@H]1F 1a36e5a8c9434c4096aee2d1e54c1600 [0,2,0,1,0,0|1,0,0]=4 37840 B12R1.143 CC(C)SCCOC[C@H]1C[C@@H]1C a24ceee19fa45227437fb7624563bea6 [0,2,0,1,0,0|0,0,0]=3 37841 B12R1.143 CC(C)SCCOC[C@H]1C[C@@H]1F 8416a0c8c8cefc02715a7358b30ba271 [0,2,0,1,0,0|1,0,0]=4 37842 B12R1.143 CC(C)SCCOC[C@H]1C[C@H]1F e68a2e0719e4b51353684c85a3d1adcc [0,2,0,1,0,0|1,0,0]=4 37843 B12R1.143 CC(O)CCCCNC1CC1C 29655dba1e6b00da237064026134f39e [0,2,0,1,0,0|1,0,0]=4 37844 B12R1.143 CC1CC1COCCCC(=O)N 5db9209c1b4c4f64bc0f37f8cd93138e [0,2,0,1,0,0|0,0,1]=4 37845 B12R1.143 CC1CC1COCCCC(=O)O 6035d8c58cc1ce90a6456790cbff342f [0,2,0,1,0,0|0,0,1]=4 37846 B12R1.143 CC1CC1COCCCN(C)C a191ff3b345860c7adc17a8a5234a8d5 [0,2,0,1,0,0|0,0,0]=3 37847 B12R1.143 CC1CC1COCCC[N+](=O)[O-] 1159aa11c7a16bf063a13016baa2e140 [0,2,0,1,0,0|1,0,0]=4 37848 B12R1.143 CC1CC1COCCOC(F)F 6ed23d3d192145e26c5f71699fdb01ea [0,2,0,1,0,0|1,0,0]=4 37849 B12R1.143 CC1CC1NCCCCN(C)C 294e30d20cd77e20774da6ba81a0913b [0,2,0,1,0,0|1,0,0]=4 37850 B12R1.143 CC1CC1NCCCC[C@@H](C)O c65f045495772fd4ca5e3ca74e33fb9b [0,2,0,1,0,0|1,0,0]=4 37851 B12R1.143 CN(C)CCCOC[C@@H]1C[C@@H]1F df68011565859e6bc5d213775d952d36 [0,2,0,1,0,0|1,0,0]=4 37852 B12R1.143 CN(C)CCCOC[C@@H]1C[C@H]1F 010f32c5853a574899e7c9fd5bdd97d2 [0,2,0,1,0,0|1,0,0]=4 37853 B12R1.143 CN(C)CCCOC[C@H]1C[C@@H]1F 4237c28e4c4dbdc7cb66d223aff5e0c7 [0,2,0,1,0,0|1,0,0]=4 37854 B12R1.143 CN(C)CCCOC[C@H]1C[C@H]1F 21fc05ea556c09d78af02c25707cb742 [0,2,0,1,0,0|1,0,0]=4 37855 B12R1.143 C[C@@H]1C[C@H]1COCCCC(=O)N de58002041218b450352e52e4f8cefc1 [0,2,0,1,0,0|0,0,1]=4 37856 B12R1.143 C[C@@H]1C[C@H]1COCCCC(=O)O e1b316f49ab33a5e2379ed02e211735e [0,2,0,1,0,0|0,0,1]=4 37857 B12R1.143 C[C@@H]1C[C@H]1COCCCN(C)C fe93aee3fb9aa9fa8c1530b545177bbd [0,2,0,1,0,0|0,0,0]=3 37858 B12R1.143 C[C@@H]1C[C@H]1COCCC[N+](=O)[O-] b18c6d2ca06e216d93b2254dd146225c [0,2,0,1,0,0|1,0,0]=4 37859 B12R1.143 C[C@@H]1C[C@H]1COCCOC(F)F 854bce20f23d57db5c79d3abded57021 [0,2,0,1,0,0|1,0,0]=4 37860 B12R1.143 C[C@H]1C[C@@H]1COCCCC(=O)N 74c7a0883ebcdecd1329eb72bd7816cb [0,2,0,1,0,0|0,0,1]=4 37861 B12R1.143 C[C@H]1C[C@@H]1COCCCC(=O)O 60b4ea2f2c06aed11bbad4fc3189baaa [0,2,0,1,0,0|0,0,1]=4 37862 B12R1.143 C[C@H]1C[C@@H]1COCCCN(C)C 167945bb3a2a376c32f9d6ffc662b185 [0,2,0,1,0,0|0,0,0]=3 37863 B12R1.143 C[C@H]1C[C@@H]1COCCC[N+](=O)[O-] 9e20515c226216ef78a3727bd8b4c79a [0,2,0,1,0,0|1,0,0]=4 37864 B12R1.143 C[C@H]1C[C@@H]1COCCOC(F)F 358fea46938fbe358d862227a9011c83 [0,2,0,1,0,0|1,0,0]=4 37865 B12R1.143 C[C@H]1C[C@H]1COCCCC(=O)N b89a0ff923492be233ecd49af192d54b [0,2,0,1,0,0|0,0,1]=4 37866 B12R1.143 C[C@H]1C[C@H]1COCCCC(=O)O abff6659801b457839b67e942e9f2a2c [0,2,0,1,0,0|0,0,1]=4 37867 B12R1.143 C[C@H]1C[C@H]1COCCCN(C)C b5bdeb71e3c8e87f11b70cd7de4d1063 [0,2,0,1,0,0|0,0,0]=3 37868 B12R1.143 C[C@H]1C[C@H]1COCCC[N+](=O)[O-] 4c48f2b0d7fae07ccb322f3add737b03 [0,2,0,1,0,0|1,0,0]=4 37869 B12R1.143 C[C@H]1C[C@H]1COCCOC(F)F d255ea54d5a2135289796b17ce09786f [0,2,0,1,0,0|1,0,0]=4 37870 B12R1.261 CC(C)C1COCCN1C(C)C 51b44433e50e98d3165d68e7f8cd8f92 [0,2,0,1,0,0|1,0,0]=4 37871 B12R1.261 CC(C)[C@@H]1COCCN1C(C)C e336b3bab2a2f5bdfab637669b49840e [0,2,0,1,0,0|1,0,0]=4 37872 B12R1.261 CC(C)[C@H]1COCCN1C(C)C 5ba09a78b784df7a1a94e3acc1b309cf [0,2,0,1,0,0|1,0,0]=4 37873 B12R1.390 C=C(C)CCCNCCC1CC1 f5c2f7f4e46428fd4ab915c7063a1f8a [0,2,0,1,0,0|1,0,0]=4 37874 B12R1.390 C=C(C)CCCOCCC1CC1 2f7ec4ec7d45e11302bb79093561fff6 [0,2,0,1,0,0|0,0,0]=3 37875 B12R1.390 C=C(C)CCCOCCN1CC1 2b74512ae4398b415e4c94692b5e81ba [0,2,0,1,0,0|0,0,1]=4 37876 B12R1.390 C=C(C)CCOCCCC1CC1 aa0e0ebb415d536474b1e330e612f50f [0,2,0,1,0,0|0,0,1]=4 37877 B12R1.390 C=C(C)CCOCCOC1CC1 c0533ec8e59ffea203ce0e817c7a29c8 [0,2,0,1,0,0|0,0,1]=4 37878 B12R1.390 C=C(C)COCCOCC1CC1 8f6ccd91644c50d7ff9af3f734f4adbe [0,2,0,1,0,0|0,0,1]=4 37879 B12R1.390 CC(=CCCOCCC1CC1)C c3527186699a63b0449cce5ba90124b1 [0,2,0,1,0,0|0,0,1]=4 37880 B12R1.390 CC(=O)CCCCNCC1CC1 309fbdb962c6e9cd7704fb3ae91b248d [0,2,0,1,0,0|1,0,0]=4 37881 B12R1.390 CC(=O)CCCCOCC1CC1 f84a1ed9d9a93077acb82bc1a331e2c2 [0,2,0,1,0,0|0,0,0]=3 37882 B12R1.390 CC(=O)CCCNCCC1CC1 bb663138f7dda6cbf97733575bac5f40 [0,2,0,1,0,0|1,0,0]=4 37883 B12R1.390 CC(=O)CCCOCCC1CC1 16fc571b39f6cfb35414377a119053b4 [0,2,0,1,0,0|0,0,0]=3 37884 B12R1.390 CC(=O)CCCOCCN1CC1 12bbd638be54005827874806eae84a56 [0,2,0,1,0,0|0,0,1]=4 37885 B12R1.390 CC(=O)CCOCCCC1CC1 4638f665f5c69b6be447981598236020 [0,2,0,1,0,0|0,0,1]=4 37886 B12R1.390 CC(=O)CCOCCOC1CC1 af7358a20f1d86251960eb5191666c22 [0,2,0,1,0,0|0,0,1]=4 37887 B12R1.390 CC(=O)NCCCOCC1CC1 538a8045af712e48cc6d11d98cc348a1 [0,2,0,1,0,0|0,0,1]=4 37888 B12R1.390 CC(=O)NCCOCCC1CC1 72809a0f783b685f9f20013c36599e34 [0,2,0,1,0,0|0,0,1]=4 37889 B12R1.390 CC(=O)OCCCOCC1CC1 c49f6e1220d160f608ee7a67e592db78 [0,2,0,1,0,0|0,0,1]=4 37890 B12R1.390 CC(=O)OCCOCCC1CC1 b2fef2cee62c9a18a7022a84992da320 [0,2,0,1,0,0|0,0,1]=4 37891 B12R1.390 CC(=O)SCCCOCC1CC1 0fa4678fecd9041a9553937c5a5109cf [0,2,0,1,0,0|0,0,1]=4 37892 B12R1.390 CC(=O)SCCOCCC1CC1 38a4f7a83be089a3f7a12c2effd08af9 [0,2,0,1,0,0|0,0,1]=4 37893 B12R1.390 CC(=S)OCCCOCC1CC1 a67fbbf85cc1d0f66ed0898c7217d9b6 [0,2,0,1,0,0|0,0,1]=4 37894 B12R1.390 CC(C)/C=C/COCCC1CC1 d9da78c01cb72424b98ad3f2769404f8 [0,2,0,1,0,0|0,0,1]=4 37895 B12R1.390 CC(C)CCCCCNC1CC1 692859c549b83d7d28f2c8fdbbd4ff74 [0,2,0,1,0,0|1,0,0]=4 37896 B12R1.390 CC(C)CCCCCOC1CC1 be4708fd411f87d0ef8e3b40cfff6709 [0,2,0,1,0,0|1,0,0]=4 37897 B12R1.390 CC(C)CCCCNCC1CC1 eeed175d768f86df902a25194c70b964 [0,2,0,1,0,0|1,0,0]=4 37898 B12R1.390 CC(C)CCCCOCC1CC1 a027ae618bd0c28d50a741c69c2c4db2 [0,2,0,1,0,0|0,0,0]=3 37899 B12R1.390 CC(C)CCCNCCC1CC1 e3597d5566540fb80bc4b71a04887d39 [0,2,0,1,0,0|1,0,0]=4 37900 B12R1.390 CC(C)CCCNCCN1CC1 81a06e35b2c4ef3ff7c39d20cc05a632 [0,2,0,1,0,0|1,0,0]=4 37901 B12R1.390 CC(C)CCCOCCC1CC1 c56a2495d046536299f020c800b584c3 [0,2,0,1,0,0|0,0,0]=3 37902 B12R1.390 CC(C)CCCOCCN1CC1 a85dedd10e6b752e327bea9d17e71dff [0,2,0,1,0,0|0,0,0]=3 37903 B12R1.390 CC(C)CCNCCOC1CC1 8f0e31098fbce82e0039067706872df9 [0,2,0,1,0,0|1,0,0]=4 37904 B12R1.390 CC(C)CCOC/C=C/C1CC1 60399d98fcfd6fed53d63833b11c7f45 [0,2,0,1,0,0|0,0,1]=4 37905 B12R1.390 CC(C)CCOCC#CC1CC1 374d6fcf69d920855fd2c5684e415564 [0,2,0,1,0,0|0,0,1]=4 37906 B12R1.390 CC(C)CCOCCCC1CC1 925dcb7ac9fa4556d11a422d14f1bd3c [0,2,0,1,0,0|0,0,0]=3 37907 B12R1.390 CC(C)CCOCCOC1CC1 585b48b3dabedfbdf301e38c912f014b [0,2,0,1,0,0|0,0,0]=3 37908 B12R1.390 CC(C)CNCCSCC1CC1 a52ae366390ffa489eec0b3c42c60486 [0,2,0,1,0,0|0,1,0]=4 37909 B12R1.390 CC(C)COCCNCC1CC1 b82cd18f8baf8f2dab9f48cc230fd844 [0,2,0,1,0,0|1,0,0]=4 37910 B12R1.390 CC(C)COCCOCC1CC1 73e706f5badbad8d36cfe129a021b5bd [0,2,0,1,0,0|0,0,0]=3 37911 B12R1.390 CC(C)CSCCOCC1CC1 734f89d585558b87673af50cd5645640 [0,2,0,1,0,0|0,0,0]=3 37912 B12R1.390 CC(C)NCCCOCC1CC1 b638c63ec2780ce67b6641c48f08ad3e [0,2,0,1,0,0|0,0,0]=3 37913 B12R1.390 CC(C)OCCCNCC1CC1 3edb58a433b80800d9cc92a881c401d1 [0,2,0,1,0,0|1,0,0]=4 37914 B12R1.390 CC(C)OCCCOCC1CC1 20a681645d9f481cef714e4e8b977694 [0,2,0,1,0,0|0,0,0]=3 37915 B12R1.390 CC(C)OCCNCCC1CC1 03193bf1125ad5485c2ccef084df7c60 [0,2,0,1,0,0|1,0,0]=4 37916 B12R1.390 CC(C)OCCOCCC1CC1 cf365324f78a68862e763f0c2437a5ac [0,2,0,1,0,0|0,0,0]=3 37917 B12R1.390 CC(C)OCCOCCN1CC1 7e3e17689d3a6a99fa158fb4b6def5a0 [0,2,0,1,0,0|1,0,0]=4 37918 B12R1.390 CC(C)OCOCCCC1CC1 1c46a9f2e9037540536b8a3ac374e1fd [0,2,0,1,0,0|1,0,0]=4 37919 B12R1.390 CC(C)OCOCCOC1CC1 05624eadadd969fd5737904c02c823d3 [0,2,0,1,0,0|1,0,0]=4 37920 B12R1.390 CC(C)SCCCNCC1CC1 5bdd99ebf3fcd77bac98594e8a1ee245 [0,2,0,1,0,0|1,0,0]=4 37921 B12R1.390 CC(C)SCCCOCC1CC1 b799230eca4f892e425abbb8ba139699 [0,2,0,1,0,0|0,0,0]=3 37922 B12R1.390 CC(C)SCCNCCC1CC1 3b48968cac761f0b602499b41dcb7471 [0,2,0,1,0,0|1,0,0]=4 37923 B12R1.390 CC(C)SCCOCCC1CC1 796a3c6e04082a590a42f261c292d569 [0,2,0,1,0,0|0,0,0]=3 37924 B12R1.390 CC(C)SCCOCCN1CC1 e5511b1d85f9f71799bd68e24470811d [0,2,0,1,0,0|1,0,0]=4 37925 B12R1.390 CC(O)CCCCNCC1CC1 f49b6d04d4f3023d58cc9b08b3d41976 [0,2,0,1,0,0|1,0,0]=4 37926 B12R1.390 CC(O)CCCNCCC1CC1 e2eea692ac8ff8395ba7388dde558d73 [0,2,0,1,0,0|1,0,0]=4 37927 B12R1.390 CC(O)CCCNCCN1CC1 0f3481b1dd055219e57b5d93a045af32 [0,2,0,1,0,0|1,0,0]=4 37928 B12R1.390 CC(O)CCNCCOC1CC1 1f95be95272841640a8e33050907eeba [0,2,0,1,0,0|1,0,0]=4 37929 B12R1.390 CC(O)CNCCSCC1CC1 2929ace955e1d888d3132053fd59c7c1 [0,2,0,1,0,0|0,1,0]=4 37930 B12R1.390 CN(C)CCCCNCC1CC1 38cdbb446d2747b844812228e370b626 [0,2,0,1,0,0|1,0,0]=4 37931 B12R1.390 CN(C)CCCCOCC1CC1 1640bf8a94831d16796623827bca5977 [0,2,0,1,0,0|0,0,0]=3 37932 B12R1.390 CN(C)CCCNCCC1CC1 39c5acc73ccf0024e8e47b4929168895 [0,2,0,1,0,0|1,0,0]=4 37933 B12R1.390 CN(C)CCCOCCC1CC1 d35349f2b330a0967986c55bedbe8170 [0,2,0,1,0,0|0,0,0]=3 37934 B12R1.390 CN(C)CCCOCCN1CC1 849cb01972c6d705734f895904485243 [0,2,0,1,0,0|1,0,0]=4 37935 B12R1.390 CN(C)CCOCCCC1CC1 5843a3f2024a82b8c6d617c5d1a2cf04 [0,2,0,1,0,0|1,0,0]=4 37936 B12R1.390 CN(C)CCOCCNC1CC1 8e7242eaa7cd5775561756bc64d018be [0,2,0,1,0,0|1,0,0]=4 37937 B12R1.390 CN(C)CCOCCOC1CC1 482ea5316f6ca8fca627b9cbd8c78ae0 [0,2,0,1,0,0|1,0,0]=4 37938 B12R1.390 CN(C)COCCOCC1CC1 5dbd80d6c3e8653cdbc003a02fbb1b71 [0,2,0,1,0,0|1,0,0]=4 37939 B12R1.390 CS(=O)CCCNCCC1CC1 60b4d4ccc7c2d1bc812fb7f1dbf7999d [0,2,0,1,0,0|1,0,0]=4 37940 B12R1.390 CS(=O)CCOCCCC1CC1 af948e400f1453336e215d0e4c945c6b [0,2,0,1,0,0|1,0,0]=4 37941 B12R1.390 CS(=O)CCOCCOC1CC1 376fd90fd9551c6b84b4eb946a66af4f [0,2,0,1,0,0|1,0,0]=4 37942 B12R1.390 C[C@@H](O)CCCCNCC1CC1 68fbb5bb61d687571ad36d559f530b34 [0,2,0,1,0,0|1,0,0]=4 37943 B12R1.390 C[C@@H](O)CCNCCOC1CC1 54b20c43b23e7087809c349d4be3c466 [0,2,0,1,0,0|1,0,0]=4 37944 B12R1.390 C[C@@H](O)CNCCSCC1CC1 b6f6d485816cc87fdb7636e1e85109cc [0,2,0,1,0,0|0,1,0]=4 37945 B12R1.390 C[C@H](O)CCNCCOC1CC1 f3cc3d74cb9de65fef2d6179c4825abb [0,2,0,1,0,0|1,0,0]=4 37946 B12R1.390 C[C@H](O)CNCCSCC1CC1 4a123442aace7484af490992b7482b0d [0,2,0,1,0,0|0,1,0]=4 37947 B12R1.390 FC(F)CCCCNCC1CC1 f9eb6965f4109635cc7a15770ecd9b36 [0,2,0,1,0,0|1,0,0]=4 37948 B12R1.390 FC(F)CCOCCOC1CC1 5d1ea0b251df6db804a3df06591f0ef7 [0,2,0,1,0,0|1,0,0]=4 37949 B12R1.390 FC(F)COCCOCC1CC1 83fcd50abc83f190db2c464ba60c1e6b [0,2,0,1,0,0|1,0,0]=4 37950 B12R1.390 FC(F)OCCOCCC1CC1 07f4eba8eca27c81ae36f56822e73493 [0,2,0,1,0,0|1,0,0]=4 37951 B12R1.390 NC(=O)CCCCOCC1CC1 51aa0947f9fcea90c8f042f686fae500 [0,2,0,1,0,0|0,0,1]=4 37952 B12R1.390 NC(=O)CCCOCCC1CC1 0eaa80eb6ddf98fd019826c9f0d259e3 [0,2,0,1,0,0|0,0,1]=4 37953 B12R1.390 O=C(O)CCCCOCC1CC1 b7c6452faf2ef5cc08b9da872439324a [0,2,0,1,0,0|0,0,1]=4 37954 B12R1.390 O=C(O)CCCOCCC1CC1 32c69780f07b26ee36a3826018eab396 [0,2,0,1,0,0|0,0,1]=4 37955 B12R1.390 O=[N+]([O-])CCCCOCC1CC1 566fbfec674e7ce82cf12a8dc799462c [0,2,0,1,0,0|1,0,0]=4 37956 B12R1.390 O=[N+]([O-])CCCOCCC1CC1 79aa27c5ec27517226c47328b25df22b [0,2,0,1,0,0|1,0,0]=4 37957 B12R1.924 CC(C)CCN1CCCC1(C)C 3dfc2b5702809d802231c93ee4147234 [0,2,0,1,0,0|1,0,0]=4 37958 B12R1.924 CC(O)CCN1CCCC1(C)C fff45d6fce7ff63e6925f4bf38ed54b3 [0,2,0,1,0,0|1,0,0]=4 37959 B12R1.1347 C=C(C)CCCOC1CC1(C)C 6d3ba76671b40c4a4756847040d37642 [0,2,0,1,0,0|0,0,1]=4 37960 B12R1.1347 C=C(C)CCOCC1CC1(C)C dd05241bc201c4ae7a7be2d4e4a987f4 [0,2,0,1,0,0|0,0,1]=4 37961 B12R1.1347 C=C(C)CCOC[C@@H]1CC1(C)C 7d50ccfe04b4154943675d32a83e67e7 [0,2,0,1,0,0|0,0,1]=4 37962 B12R1.1347 C=C(C)CCOC[C@H]1CC1(C)C e1bc3e1c73cc080e29bac86f005e876f [0,2,0,1,0,0|0,0,1]=4 37963 B12R1.1347 CC(=O)CCCOC1CC1(C)C 1429fdc1c021ed651bcecc2e4f770f92 [0,2,0,1,0,0|0,0,1]=4 37964 B12R1.1347 CC(=O)CCOCC1CC1(C)C 8a1101fdbd08d7181c0639fa5df70612 [0,2,0,1,0,0|0,0,1]=4 37965 B12R1.1347 CC(=O)CCOC[C@@H]1CC1(C)C 5e031c952024eb0400b1f452b508e736 [0,2,0,1,0,0|0,0,1]=4 37966 B12R1.1347 CC(=O)CCOC[C@H]1CC1(C)C 69c11b55eaa0727dee7da38a891b02da [0,2,0,1,0,0|0,0,1]=4 37967 B12R1.1347 CC(C)CCCNC1CC1(C)C dfad51d88f9eb9c900e0c27d026e40fb [0,2,0,1,0,0|1,0,0]=4 37968 B12R1.1347 CC(C)CCCN[C@@H]1CC1(C)C 06d2946d3bf9d3534d0246fdeb11feba [0,2,0,1,0,0|1,0,0]=4 37969 B12R1.1347 CC(C)CCCN[C@H]1CC1(C)C c0dd6a6278d87a3dcdc277eb564ad51c [0,2,0,1,0,0|1,0,0]=4 37970 B12R1.1347 CC(C)CCCOC1CC1(C)C bf4d1c0613481321893d2d72c26223f4 [0,2,0,1,0,0|0,0,0]=3 37971 B12R1.1347 CC(C)CCCOC1CC1(F)F 61d6ddfc7dac26cad68ce6a44713dafc [0,2,0,1,0,0|1,0,0]=4 37972 B12R1.1347 CC(C)CCNC[C@@H]1CC1(C)C 45723eed93786213fe69f18c6735ad15 [0,2,0,1,0,0|1,0,0]=4 37973 B12R1.1347 CC(C)CCNC[C@H]1CC1(C)C 0bbcfea1fc4518a47b7061418f42f1ee [0,2,0,1,0,0|1,0,0]=4 37974 B12R1.1347 CC(C)CCOCC1CC1(C)C adc2a65d8638bb77af542d651e495056 [0,2,0,1,0,0|0,0,0]=3 37975 B12R1.1347 CC(C)CCOCC1CC1(F)F 1d2139c683917fe4a01996bccb79fdea [0,2,0,1,0,0|1,0,0]=4 37976 B12R1.1347 CC(C)CCOC[C@@H]1CC1(C)C 0d6f5761c30fb33e1d3e260a875f1dd0 [0,2,0,1,0,0|0,0,0]=3 37977 B12R1.1347 CC(C)CCOC[C@@H]1CC1(F)F eb2d0e97c1abf1cf9bd1295d81c4fb38 [0,2,0,1,0,0|1,0,0]=4 37978 B12R1.1347 CC(C)CCOC[C@H]1CC1(C)C 5e0617047878c52c1b4f8b9c09bd1428 [0,2,0,1,0,0|0,0,0]=3 37979 B12R1.1347 CC(C)CCOC[C@H]1CC1(F)F f5180bc353876d440de4ab184cb82fed [0,2,0,1,0,0|1,0,0]=4 37980 B12R1.1347 CC(C)OCCOC1CC1(C)C 205c51b8c867dbaf9a04fbd46466b553 [0,2,0,1,0,0|1,0,0]=4 37981 B12R1.1347 CC(C)OCOCC1CC1(C)C 2747bcc6743992a06b3fa09cab65dae6 [0,2,0,1,0,0|1,0,0]=4 37982 B12R1.1347 CC(C)OCOC[C@@H]1CC1(C)C 4eb236d5f80b7db3ef2095c01b758c98 [0,2,0,1,0,0|1,0,0]=4 37983 B12R1.1347 CC(C)OCOC[C@H]1CC1(C)C 60b5a2d9b8960d2215559aed4bf020de [0,2,0,1,0,0|1,0,0]=4 37984 B12R1.1347 CC(C)SCCOC1CC1(C)C 4574e3ba351850a997abd1b67c7ce87e [0,2,0,1,0,0|1,0,0]=4 37985 B12R1.1347 CC(O)CCCNC1CC1(C)C 0727972d1c825013a8e03382944f08a5 [0,2,0,1,0,0|1,0,0]=4 37986 B12R1.1347 CC(O)CCCN[C@@H]1CC1(C)C e5349af1e173f28cd5dd7780d6461399 [0,2,0,1,0,0|1,0,0]=4 37987 B12R1.1347 CC(O)CCCN[C@H]1CC1(C)C db7ba64e5eae2a9315bbf5fb301f6545 [0,2,0,1,0,0|1,0,0]=4 37988 B12R1.1347 CC(O)CCNC[C@@H]1CC1(C)C d70cf0560df5cb5e5c6a5c72f1315ab6 [0,2,0,1,0,0|1,0,0]=4 37989 B12R1.1347 CC(O)CCNC[C@H]1CC1(C)C d97d873aafced55ad1d61bdce2d78ead [0,2,0,1,0,0|1,0,0]=4 37990 B12R1.1347 CN(C)CCCOC1CC1(C)C 82599cfcb0ed005d32fe4f5b2eb8c45b [0,2,0,1,0,0|1,0,0]=4 37991 B12R1.1347 CN(C)CCOCC1CC1(C)C 723194e67d7d0fd0ae1075c8ddc0fd06 [0,2,0,1,0,0|1,0,0]=4 37992 B12R1.1347 CN(C)CCOC[C@@H]1CC1(C)C 16aace93e0c232409feb5ffea0e84b1e [0,2,0,1,0,0|1,0,0]=4 37993 B12R1.1347 CN(C)CCOC[C@H]1CC1(C)C 4032992ac8754fb62324ef3a6d2b2317 [0,2,0,1,0,0|1,0,0]=4 37994 B12R1.1347 CS(=O)CCOCC1CC1(C)C 46b725ffd2b9bd1bd168de3878876b35 [0,2,0,1,0,0|1,0,0]=4 37995 B12R1.1347 CS(=O)CCOC[C@@H]1CC1(C)C 92947bfdceea0a6546ddb141e3babca6 [0,2,0,1,0,0|1,0,0]=4 37996 B12R1.1347 CS(=O)CCOC[C@H]1CC1(C)C 18952f75850c4d34448d5d9c09e75dc8 [0,2,0,1,0,0|1,0,0]=4 37997 B12R1.1370 C=C(C)CCOC1CCC1(C)C fdb88cb3a17143cb4f0fdc32cb108f9d [0,2,0,1,0,0|0,0,1]=4 37998 B12R1.1370 CC(=O)CCOC1CCC1(C)C 9187f4ce4671194197e68657d372cb51 [0,2,0,1,0,0|0,0,1]=4 37999 B12R1.1370 CC(C)CCOC1CCC1(C)C ebc0eabef612040ede4aa62755bb25fa [0,2,0,1,0,0|0,0,0]=3 38000 B12R1.1370 CC(C)CCOC1CCC1(F)F 59ce2418bca638ec0451f7bd51e9a08f [0,2,0,1,0,0|1,0,0]=4 38001 B12R1.1370 CC(C)CCOC1COC1(C)C 9773d44301dd9ad75a09c506b901b19b [0,2,0,1,0,0|1,0,0]=4 38002 B12R1.1370 CC(C)OCOC1CCC1(C)C f6b25192e41c7b2eb5986c16ec5d6a31 [0,2,0,1,0,0|1,0,0]=4 38003 B12R1.1370 CN(C)CCOC1CCC1(C)C c7ea2c5a4f1c415a717d7619f31e61b3 [0,2,0,1,0,0|1,0,0]=4 38004 B12R1.1370 CS(=O)CCOC1CCC1(C)C d52f40770a77eb7521bda118c7567470 [0,2,0,1,0,0|1,0,0]=4 38005 B12R1.1 CC1CCC(CC1)OCCCF 19e5f25c7fa89ef04ac4551946ff2b04 [0,2,0,1,0,0|1,0,0]=4 38006 B12R1.1 CC1CCC(CC1)OCCCS f0f4d3f6a95962dcd18860b78198eaf5 [0,2,0,1,0,0|1,0,0]=4 38007 B12R1.1 CC1CCN(CC1)CCCCF 668cfb91d0386248407849849c80c8e2 [0,2,0,1,0,0|1,0,0]=4 38008 B12R1.1 CC1CCN(CC1)CCCCO f071a684c6dc7d9c48c47935716d51bc [0,2,0,1,0,0|1,0,0]=4 38009 B12R1.1 CCCCCN1CCC(CC1)C 62530d84875d328ecc994627a956180d [0,2,0,1,0,0|1,0,0]=4 38010 B12R1.1 CCCCCN1CCC(CC1)Cl bac699c0ad4bf04f4e29c6717103e8b2 [0,2,0,1,0,0|1,0,0]=4 38011 B12R1.1 CCCCCN1CCC(CC1)F 6c159f57b84a35c2022ca37b7e05dd72 [0,2,0,1,0,0|1,0,0]=4 38012 B12R1.1 CCCCCN1CCC(CC1)I 8bdc385b4597265a9d4f4e8506625e5b [0,2,0,1,0,0|1,0,0]=4 38013 B12R1.1 CCCCCN1CCC(CC1)O 6607aa79c8fab7ae87e935b5c764a0cb [0,2,0,1,0,0|1,0,0]=4 38014 B12R1.1 CCCCCN1CCN(CC1)C a0a2818642f4593d45c8b4006427394d [0,2,0,1,0,0|1,0,0]=4 38015 B12R1.1 CCCCNC1CCC(CC1)C 796d9198c0ce1a41c76aaedfb1075e1e [0,2,0,1,0,0|1,0,0]=4 38016 B12R1.1 CCCCNC1CCC(CC1)Cl a7119c448e92f1704de1307a31d6004f [0,2,0,1,0,0|1,0,0]=4 38017 B12R1.1 CCCCNC1CCC(CC1)O faf0ec12c46b5fcb962e448f42004e5d [0,2,0,1,0,0|1,0,0]=4 38018 B12R1.1 CCCCNC1CCN(CC1)C 65f8e1450d30aac4aa52c9553c24c96c [0,2,0,1,0,0|1,0,0]=4 38019 B12R1.1 CCCCN[C@H]1CC[C@@H](CC1)C 6f193dab97953c7cb18ad42ddbea8dd3 [0,2,0,1,0,0|1,0,0]=4 38020 B12R1.1 CCCCN[C@H]1CC[C@@H](CC1)Cl 489b247aec705a60520b1812d72e62f3 [0,2,0,1,0,0|1,0,0]=4 38021 B12R1.1 CCCCN[C@H]1CC[C@@H](CC1)O 2db9966e3f93331a4b77ffe6cdfd5ea5 [0,2,0,1,0,0|1,0,0]=4 38022 B12R1.1 CCCCN[C@H]1CC[C@H](CC1)C 976a6b8ed85f18c3c7bf49ada2c5a676 [0,2,0,1,0,0|1,0,0]=4 38023 B12R1.1 CCCCN[C@H]1CC[C@H](CC1)Cl 84570f94924c8ef9eba70afc9fb83abc [0,2,0,1,0,0|1,0,0]=4 38024 B12R1.1 CCCCN[C@H]1CC[C@H](CC1)O 277b97cb5b0904a50bbeb64770882466 [0,2,0,1,0,0|1,0,0]=4 38025 B12R1.1 CCCCOC1CC=C(CC1)Br 68be3500e3269300ab69728852399ffa [0,2,0,1,0,0|0,0,1]=4 38026 B12R1.1 CCCCOC1CCC(=O)CC1 7425ffbab8e8e3dcea794f124e0347e2 [0,2,0,1,0,0|0,0,0]=3 38027 B12R1.1 CCCCOC1CCC(=O)NC1 7282501adfdc492b08d391f5242f3692 [0,2,0,1,0,0|0,0,1]=4 38028 B12R1.1 CCCCOC1CCC(=O)OC1 2bcc9a659200bfad2ada20ece3c82254 [0,2,0,1,0,0|0,0,1]=4 38029 B12R1.1 CCCCOC1CCC(CC1)C 0b0ad09e51ebcab84a25884ba7583ccd [0,2,0,1,0,0|0,0,0]=3 38030 B12R1.1 CCCCOC1CCC(CC1)F cf9d2525e136f31dca56627f91e5d87b [0,2,0,1,0,0|0,0,0]=3 38031 B12R1.1 CCCCOC1CCN(CC1)C 89691bf45fbf675180b3f68b5ce62e50 [0,2,0,1,0,0|0,0,0]=3 38032 B12R1.1 CCCCO[C@@H]1CCC(=O)NC1 e8e699244bfbb46e558e69c15f1b762e [0,2,0,1,0,0|0,0,1]=4 38033 B12R1.1 CCCCO[C@H]1CCC(=O)NC1 099c82825aa6214df3d994ead1b1d6b2 [0,2,0,1,0,0|0,0,1]=4 38034 B12R1.1 CCCCO[C@H]1CC[C@@H](CC1)C 276c8312dfedb73ea704aef0d5db30db [0,2,0,1,0,0|0,0,0]=3 38035 B12R1.1 CCCCO[C@H]1CC[C@H](CC1)C b7722837d3c063240540f55142e3ea6b [0,2,0,1,0,0|0,0,0]=3 38036 B12R1.1 CCCNCC1CCC(CC1)C db9b8678b79fb3cad308a8820c780d13 [0,2,0,1,0,0|1,0,0]=4 38037 B12R1.1 CCCNCC1CCC(CC1)Cl f58ae292b480458e7112ddddc79f534e [0,2,0,1,0,0|1,0,0]=4 38038 B12R1.1 CCCNCC1CCC(CC1)O c3853d0f67d2c891161f169be5c38edd [0,2,0,1,0,0|1,0,0]=4 38039 B12R1.1 CCCNC[C@H]1CC[C@@H](CC1)F 899a5399e9409d243cab3de11aa161a6 [0,2,0,1,0,0|1,0,0]=4 38040 B12R1.1 CCCNC[C@H]1CC[C@@H](CC1)O ee5cc0a548795b25497dcd4f23b5ac22 [0,2,0,1,0,0|1,0,0]=4 38041 B12R1.1 CCCNC[C@H]1CC[C@H](CC1)F d919e28aaaa83810398217b734b48c69 [0,2,0,1,0,0|1,0,0]=4 38042 B12R1.1 CCCOCC1CCC(CC1)C b0fb26b30667abe0ec6c890f0a558bf2 [0,2,0,1,0,0|1,0,0]=4 38043 B12R1.1 CCCOC[C@H]1CC[C@@H](CC1)C f1e29c8c0c57c4286566ef41d9f3dffc [0,2,0,1,0,0|1,0,0]=4 38044 B12R1.1 CCCOC[C@H]1CC[C@H](CC1)C c1d24a9df404dc7f4f4bca7aaad4d6f5 [0,2,0,1,0,0|1,0,0]=4 38045 B12R1.1 CCNCCC1CCC(CC1)O ca9950a48be7d7f8e6e03e943561e2d6 [0,2,0,1,0,0|1,0,0]=4 38046 B12R1.1 CCNCCN1CCC(CC1)C 22d8ce71fb87e540520d827a091d313e [0,2,0,1,0,0|1,0,0]=4 38047 B12R1.1 CCNCCN1CCC(CC1)O 702bc7832629fa19e97582134e1b88b3 [0,2,0,1,0,0|1,0,0]=4 38048 B12R1.1 CCOCCN1CCC(CC1)C a34f08c5acbe39005646a705c09961d1 [0,2,0,1,0,0|1,0,0]=4 38049 B12R1.1 CCOCCN1CCC(CC1)Cl d3bb43d412d90db077f7d75cb5e21f27 [0,2,0,1,0,0|1,0,0]=4 38050 B12R1.1 CCOCCN1CCC(CC1)F bb27b17094de5d4dafc7726843273a6d [0,2,0,1,0,0|1,0,0]=4 38051 B12R1.1 CCOCCN1CCC(CC1)I 8ccd1512d57025a2a63eb8444ed00b10 [0,2,0,1,0,0|1,0,0]=4 38052 B12R1.1 CCOCCN1CCC(CC1)O 4718738ced3f3daa7acef0d5dd5725f8 [0,2,0,1,0,0|1,0,0]=4 38053 B12R1.1 CCOCC[C@H]1CC[C@@H](CC1)C 15960e9a6caeea30cd0117cfd7ca4bae [0,2,0,1,0,0|1,0,0]=4 38054 B12R1.1 CCOCOC1CCC(=O)CC1 9fde2986b735884cb0eaa80d8b46e3fe [0,2,0,1,0,0|1,0,0]=4 38055 B12R1.1 CCOCOC1CCC(CC1)C 722da39c96d5e876b1358958a195b4ed [0,2,0,1,0,0|1,0,0]=4 38056 B12R1.1 CCOCOC1CCC(CC1)F 0fea9303c0e1e5f83af371650aec7eb3 [0,2,0,1,0,0|1,0,0]=4 38057 B12R1.1 CCOCOC1CCN(CC1)C a9a7c7e7627268f7a7f35435905fcc48 [0,2,0,1,0,0|1,0,0]=4 38058 B12R1.1 CCOCO[C@H]1CC[C@@H](CC1)C df60973b65590bcb082fe79d2312a04e [0,2,0,1,0,0|1,0,0]=4 38059 B12R1.1 CCOCO[C@H]1CC[C@H](CC1)C 76cc263fbc244d1a9f52987b799c0eb3 [0,2,0,1,0,0|1,0,0]=4 38060 B12R1.1 CCSCCN1CCC(CC1)C c47000ab7ea7548e37d2cec9f0219610 [0,2,0,1,0,0|1,0,0]=4 38061 B12R1.1 CCSCCN1CCC(CC1)Cl 4f540fd11a21c284ec5f900db75ac763 [0,2,0,1,0,0|1,0,0]=4 38062 B12R1.1 CCSCCN1CCC(CC1)F 9a7c9984cd6951085e6b9cccce280e93 [0,2,0,1,0,0|1,0,0]=4 38063 B12R1.1 CCSCCN1CCC(CC1)I fe90e6c81aa2c3e0c8071506fbbcc70a [0,2,0,1,0,0|1,0,0]=4 38064 B12R1.1 CCSCCN1CCC(CC1)O 8dc2b178f7f3f99f1c677b46c31135f9 [0,2,0,1,0,0|1,0,0]=4 38065 B12R1.1 CN1CCC(CC1)OCCCF 8b6152216b634e0dd0c90d3a16afb477 [0,2,0,1,0,0|1,0,0]=4 38066 B12R1.1 CN1CCC(CC1)OCCCS 1739ccb1fb7adf4af8102fcde09839b3 [0,2,0,1,0,0|1,0,0]=4 38067 B12R1.1 COCCCN1CCC(CC1)C 2165b5333edc1fdd0cc74923af5bb49f [0,2,0,1,0,0|1,0,0]=4 38068 B12R1.1 COCCCN1CCC(CC1)Cl 43abcca6d33ccad4f46980cc9eef34f5 [0,2,0,1,0,0|1,0,0]=4 38069 B12R1.1 COCCCN1CCC(CC1)F 58a477091b786ac33ce0777d4f6bc9c9 [0,2,0,1,0,0|1,0,0]=4 38070 B12R1.1 COCCCN1CCC(CC1)I 04c4b8a23b879bda45ea73f2d6b214f9 [0,2,0,1,0,0|1,0,0]=4 38071 B12R1.1 COCCCN1CCC(CC1)O a5fb54091900b4474c5086e9d85ea91a [0,2,0,1,0,0|1,0,0]=4 38072 B12R1.1 COCCOC1CCC(=O)CC1 498e9b2654e93ec9669e5a350f931335 [0,2,0,1,0,0|1,0,0]=4 38073 B12R1.1 COCCOC1CCC(CC1)C 28c85d6676b50beedd96094533e79f4c [0,2,0,1,0,0|1,0,0]=4 38074 B12R1.1 COCCOC1CCC(CC1)F c72ef5b4d3f355f474a6b1af64b04165 [0,2,0,1,0,0|1,0,0]=4 38075 B12R1.1 COCCOC1CCN(CC1)C 9a5a9fddf6911844cf8ffc448d510b9d [0,2,0,1,0,0|1,0,0]=4 38076 B12R1.1 COCCO[C@H]1CC[C@@H](CC1)C 85f3c33f8eaaf655a38dbb2d3ab66504 [0,2,0,1,0,0|1,0,0]=4 38077 B12R1.1 COCCO[C@H]1CC[C@H](CC1)C d177438c020d5bff94f01ca933abc67c [0,2,0,1,0,0|1,0,0]=4 38078 B12R1.1 CSCCCN1CCC(CC1)C 62c5ac2bb9674d6fdf49ca39def2be63 [0,2,0,1,0,0|1,0,0]=4 38079 B12R1.1 CSCCCN1CCC(CC1)Cl 207a121becc606f2c4867917a6adea51 [0,2,0,1,0,0|1,0,0]=4 38080 B12R1.1 CSCCCN1CCC(CC1)F 2fd0c5725930b8c94ea36f037c200a4a [0,2,0,1,0,0|1,0,0]=4 38081 B12R1.1 CSCCCN1CCC(CC1)I a4b4f840d7e190e03d02b504904b43c2 [0,2,0,1,0,0|1,0,0]=4 38082 B12R1.1 CSCCCN1CCC(CC1)O 10a1f6305ebb61fd0063e1a354522bce [0,2,0,1,0,0|1,0,0]=4 38083 B12R1.1 CSCCOC1CCC(=O)CC1 16f32130c9d30cf245fdeed758997fd0 [0,2,0,1,0,0|1,0,0]=4 38084 B12R1.1 CSCCOC1CCC(CC1)C 2af45bab88116577cba2e26f1592c945 [0,2,0,1,0,0|1,0,0]=4 38085 B12R1.1 CSCCOC1CCC(CC1)F 0a04026ca1cd620c6e4df3fc90359e7b [0,2,0,1,0,0|1,0,0]=4 38086 B12R1.1 CSCCOC1CCN(CC1)C de7f0b60194bcc2256bd7c7e721295db [0,2,0,1,0,0|1,0,0]=4 38087 B12R1.1 CSCCO[C@H]1CC[C@@H](CC1)C 111284d849122119820653d039130e36 [0,2,0,1,0,0|1,0,0]=4 38088 B12R1.1 CSCCO[C@H]1CC[C@H](CC1)C 27f051ac8b2dbd13126b888300502921 [0,2,0,1,0,0|1,0,0]=4 38089 B12R1.1 C[C@H]1CC[C@@H](CC1)OCCCF 6c40126da56886361752b9b7d4538d72 [0,2,0,1,0,0|1,0,0]=4 38090 B12R1.1 C[C@H]1CC[C@@H](CC1)OCCCS 9c684c79d26aa712dfcb6a52ff8473c4 [0,2,0,1,0,0|1,0,0]=4 38091 B12R1.1 C[C@H]1CC[C@H](CC1)OCCCF 2fcd1eb2159349b0f8e49adc266ede0d [0,2,0,1,0,0|1,0,0]=4 38092 B12R1.1 C[C@H]1CC[C@H](CC1)OCCCS 6f9424c5dc4b98366c06a64083b21b45 [0,2,0,1,0,0|1,0,0]=4 38093 B12R1.1 FC1CCC(CC1)OCCCS bd0bcc095b713b4cb610d7f7bb6db72c [0,2,0,1,0,0|1,0,0]=4 38094 B12R1.1 FCCCCN1CCC(CC1)Cl e70f7060d050598c554fb02c777004c0 [0,2,0,1,0,0|1,0,0]=4 38095 B12R1.1 FCCCCN1CCC(CC1)F 119bda20edca04490a92d0d19519bb63 [0,2,0,1,0,0|1,0,0]=4 38096 B12R1.1 FCCCCN1CCC(CC1)I 83cc139abd7f92aa4faaabc2fe4f0b83 [0,2,0,1,0,0|1,0,0]=4 38097 B12R1.1 FCCCOC1CCC(CC1)F a89aa637e503f15005bda7b210fc558b [0,2,0,1,0,0|1,0,0]=4 38098 B12R1.1 O=C1CCC(CC1)OCCCF 9fdb946c5071fcf51c371ef5db7cc0dd [0,2,0,1,0,0|1,0,0]=4 38099 B12R1.1 O=C1CCC(CC1)OCCCS 3fe64479316184db0823ef6f60db6f41 [0,2,0,1,0,0|1,0,0]=4 38100 B12R1.1 OC1CCN(CC1)CCCCF 4971cc02495bde7593c5e26437c03690 [0,2,0,1,0,0|1,0,0]=4 38101 B12R1.1 OCCCCN1CCC(CC1)Cl 86fb6453c76184941131df3ef5141731 [0,2,0,1,0,0|1,0,0]=4 38102 B12R1.1 OCCCCN1CCC(CC1)F af3e7fc67d11ecbf1d5896961ede40fb [0,2,0,1,0,0|1,0,0]=4 38103 B12R1.1 OCCCCN1CCC(CC1)I 9c7f368060d3a450248a36edcca1c8de [0,2,0,1,0,0|1,0,0]=4 38104 B12R1.1 OCCCCN1CCC(CC1)O bc8d350758684fb776e3f8d0c90c0df5 [0,2,0,1,0,0|1,0,0]=4 38105 B12R1.27 BrCC(Br)COC1CCCCC1 e9a6bfbfe0562718418cfa2dd7e9bfbb [0,2,0,1,0,0|1,0,0]=4 38106 B12R1.27 BrCC(Br)COC1CCOCC1 a6b9976222bec780ee630382eca367d6 [0,2,0,1,0,0|1,0,0]=4 38107 B12R1.27 BrCC(Br)COC1CCSCC1 544fb61f5a0245b73ff43052860c0b5d [0,2,0,1,0,0|1,0,0]=4 38108 B12R1.27 C#CC(C)NCC1CCCCO1 b1af8e7f93147501548233e1db342563 [0,2,0,1,0,0|1,0,0]=4 38109 B12R1.27 C#CC(C)OCC1CCCCO1 c2f181b821f854cddf775553a85699e7 [0,2,0,1,0,0|1,0,0]=4 38110 B12R1.27 C#CC(C)OC[C@@H]1CCCCO1 3a324405a1e352f49fd8a60c5a856f32 [0,2,0,1,0,0|1,0,0]=4 38111 B12R1.27 C#CC(C)OC[C@H]1CCCCO1 363678450add3fa42b8efc0ac003bfab [0,2,0,1,0,0|1,0,0]=4 38112 B12R1.27 C#C[C@@H](C)NCC1CCCCO1 fff8cae39a2ffc42b877f4ac1eff77ec [0,2,0,1,0,0|1,0,0]=4 38113 B12R1.27 C#C[C@@H](C)OCC1CCCCO1 6cfba497a42769980a70502dab11de5c [0,2,0,1,0,0|1,0,0]=4 38114 B12R1.27 C#C[C@H](C)NCC1CCCCO1 84647689dd2a548f37d104220538048b [0,2,0,1,0,0|1,0,0]=4 38115 B12R1.27 C#C[C@H](C)OCC1CCCCO1 f767d8b509656b76d62d41c53e7fff5c [0,2,0,1,0,0|1,0,0]=4 38116 B12R1.27 C=C(CC)COC1CCCCC1 74192518bd32b062af0d0d2796441ac7 [0,2,0,1,0,0|0,0,1]=4 38117 B12R1.27 C=C(CC)COC1CCCCO1 46cfc133ede466c626f8de5cdd404ede [0,2,0,1,0,0|0,0,1]=4 38118 B12R1.27 C=C(CC)COC1CCCOC1 9a6273cf790676a2f4bd2d7dde2ef781 [0,2,0,1,0,0|0,0,1]=4 38119 B12R1.27 C=C(CC)COC1CCCSC1 81d23e58775d0daa9db9eff1dc01ec63 [0,2,0,1,0,0|0,0,1]=4 38120 B12R1.27 C=C(CC)COC1CCOCC1 c6b530978160e227ef0b63ce58045be8 [0,2,0,1,0,0|0,0,1]=4 38121 B12R1.27 C=C(CC)COC1CCSCC1 6918963b388c717c7671119c4959afd4 [0,2,0,1,0,0|0,0,1]=4 38122 B12R1.27 C=C(CC)CO[C@@H]1CCCOC1 eab333f0172c23acab1f022f212df09a [0,2,0,1,0,0|0,0,1]=4 38123 B12R1.27 C=C(CC)CO[C@H]1CCCOC1 db7c7baa7aeb5a45eb8c0f86c33dc26f [0,2,0,1,0,0|0,0,1]=4 38124 B12R1.27 C=CC(C)COC1CCCCO1 d195d89977e644a125f094c2808c7e5c [0,2,0,1,0,0|1,0,0]=4 38125 B12R1.27 C=CC(C)NCC1CCCCO1 2294f29e12e3b31ba8fa720152c78aac [0,2,0,1,0,0|1,0,0]=4 38126 B12R1.27 C=CC(C)OCC1CCCCO1 4b27d7e280408c2a252fa367e6c8cb1f [0,2,0,1,0,0|1,0,0]=4 38127 B12R1.27 C=CC(C)OC[C@@H]1CCCCO1 e67ce66d49f8650a892d372801ce8c05 [0,2,0,1,0,0|1,0,0]=4 38128 B12R1.27 C=CC(C)OC[C@H]1CCCCO1 b2df27bb6ffaffb463050fe77a09d775 [0,2,0,1,0,0|1,0,0]=4 38129 B12R1.27 C=C[C@H](C)OCC1CCCCO1 c433af71529b7d352716bce1a2498833 [0,2,0,1,0,0|1,0,0]=4 38130 B12R1.27 CC(C#N)CNC1CCCCO1 e8910e33c74629851c1e21c2cf53cf35 [0,2,0,1,0,0|1,0,0]=4 38131 B12R1.27 CC(C#N)COC1CCCCO1 933981b3d5b71d7f89ff8e889fba250b [0,2,0,1,0,0|1,0,0]=4 38132 B12R1.27 CC(C#N)NCC1CCCCO1 22c998b3609fe7dcc23b6264635c4bb7 [0,2,0,1,0,0|1,0,0]=4 38133 B12R1.27 CC(C#N)OCC1CCCCO1 afc63428d73d776d1108ee98f596ddf4 [0,2,0,1,0,0|1,0,0]=4 38134 B12R1.27 CC(C#N)OC[C@@H]1CCCCO1 b75c8d7a17658888e0fce1825526cf3e [0,2,0,1,0,0|1,0,0]=4 38135 B12R1.27 CC(C#N)OC[C@H]1CCCCO1 f12c3fac4a0d285068a468377561dbd8 [0,2,0,1,0,0|1,0,0]=4 38136 B12R1.27 CC(C=O)NCC1CCCCO1 678fc771d4f75664da6533252bead5d1 [0,2,0,1,0,0|1,0,0]=4 38137 B12R1.27 CC(C=O)OCC1CCCCO1 81db39b495106c6ed672b2c34908067b [0,2,0,1,0,0|1,0,0]=4 38138 B12R1.27 CC(C=O)OC[C@@H]1CCCCO1 1955d9c3cfe13aa4225f812bef113feb [0,2,0,1,0,0|1,0,0]=4 38139 B12R1.27 CC(C=O)OC[C@H]1CCCCO1 3cf008cad83c3a460207cf9d3110de06 [0,2,0,1,0,0|1,0,0]=4 38140 B12R1.27 CC(CF)OCC1CCCCO1 320021efcb88be1628c2dd390fa005f5 [0,2,0,1,0,0|1,0,0]=4 38141 B12R1.27 CC(CO)CNC1CCCCO1 fa4a58c30ae96a7372750eb51f320006 [0,2,0,1,0,0|1,0,0]=4 38142 B12R1.27 CC(CO)NCC1CCCCO1 6bab152dde25b6fbffb13b9d2eadf11e [0,2,0,1,0,0|1,0,0]=4 38143 B12R1.27 CC(CS)OCC1CCCCO1 16ffa55dcb17fb7c769bf1f193c210ba [0,2,0,1,0,0|1,0,0]=4 38144 B12R1.27 CCC(=O)COC1CCCCC1 b08dae3654feebf4586bf4d8e9316d63 [0,2,0,1,0,0|0,0,1]=4 38145 B12R1.27 CCC(=O)COC1CCCCO1 43af0a78cc790bc8b6618df7b331d913 [0,2,0,1,0,0|0,0,1]=4 38146 B12R1.27 CCC(=O)COC1CCCOC1 ad6accf2966aa9bcd71c11ed6a56edc8 [0,2,0,1,0,0|0,0,1]=4 38147 B12R1.27 CCC(=O)COC1CCCSC1 30967f085b1a21a371d29e65f8c886a9 [0,2,0,1,0,0|0,0,1]=4 38148 B12R1.27 CCC(=O)COC1CCOCC1 88a26483f038389d341a5d673cff253f [0,2,0,1,0,0|0,0,1]=4 38149 B12R1.27 CCC(=O)COC1CCSCC1 fcc40f19b2a06893729c425378009d3f [0,2,0,1,0,0|0,0,1]=4 38150 B12R1.27 CCC(=O)CO[C@@H]1CCCOC1 6d8681d55358211fa277593d96ccbb9e [0,2,0,1,0,0|0,0,1]=4 38151 B12R1.27 CCC(=O)CO[C@H]1CCCOC1 d02939f825716eccf7c48a69b8e7b521 [0,2,0,1,0,0|0,0,1]=4 38152 B12R1.27 CCC(=O)NCC1CCCCO1 c169646266aca4879b8dbdec62646656 [0,2,0,1,0,0|0,0,1]=4 38153 B12R1.27 CCC(C)CCN1CCCOC1 0b9c583ab6fd1052fb82a3366d319c34 [0,2,0,1,0,0|1,0,0]=4 38154 B12R1.27 CCC(C)CCN1CCCSC1 d245e7c210c3e674b622a4f8aca08c8d [0,2,0,1,0,0|1,0,0]=4 38155 B12R1.27 CCC(C)CCN1CCOCC1 2ebb12eeebe046ad5f1f959676a28694 [0,2,0,1,0,0|1,0,0]=4 38156 B12R1.27 CCC(C)CCN1CCSCC1 5652c8c4de33736e5c0307e1016ab926 [0,2,0,1,0,0|1,0,0]=4 38157 B12R1.27 CCC(C)CNC1CCCCC1 9844991d1620ee60d09b09e2e90081ff [0,2,0,1,0,0|1,0,0]=4 38158 B12R1.27 CCC(C)CNC1CCCCO1 89bde61b34de242ccd7265256c3a9d61 [0,2,0,1,0,0|0,0,0]=3 38159 B12R1.27 CCC(C)CNC1CCCOC1 1549d22978d4054f1833333f18c5549f [0,2,0,1,0,0|1,0,0]=4 38160 B12R1.27 CCC(C)CNC1CCOCC1 9b593519031975a7a9fb21cfa99140b0 [0,2,0,1,0,0|1,0,0]=4 38161 B12R1.27 CCC(C)CNC1CCSCC1 e3d125c4ca951c0234294d21504a7b67 [0,2,0,1,0,0|1,0,0]=4 38162 B12R1.27 CCC(C)CN[C@@H]1CCCOC1 83262ad35636445ef1ef2c24b4bd97e3 [0,2,0,1,0,0|1,0,0]=4 38163 B12R1.27 CCC(C)CN[C@H]1CCCOC1 39d22970f0fcb522b934517d39f19f7f [0,2,0,1,0,0|1,0,0]=4 38164 B12R1.27 CCC(C)COC1C=CCCC1 c07ce91016c30d62e5ea8a49942b8bf7 [0,2,0,1,0,0|0,0,1]=4 38165 B12R1.27 CCC(C)COC1CC=CCC1 5211673ded2fd628fc7d4c44ed84507c [0,2,0,1,0,0|0,0,1]=4 38166 B12R1.27 CCC(C)COC1CCCCC1 70ed5391ead4945df4145ccb2ecb3aa3 [0,2,0,1,0,0|0,0,0]=3 38167 B12R1.27 CCC(C)COC1CCCCO1 2585088028d2ba90e6ef95c2ed0de243 [0,2,0,1,0,0|0,0,0]=3 38168 B12R1.27 CCC(C)COC1CCCOC1 b3d682fd4808570029b0b278c3b29b4a [0,2,0,1,0,0|0,0,0]=3 38169 B12R1.27 CCC(C)COC1CCCSC1 0e2feb82a162567bef79e506059394a9 [0,2,0,1,0,0|0,0,0]=3 38170 B12R1.27 CCC(C)COC1CCOCC1 d9d067f0041a8e69c1ad7a635a663282 [0,2,0,1,0,0|0,0,0]=3 38171 B12R1.27 CCC(C)COC1CCSCC1 adc8f39a1ceaf4e7bba164107d379116 [0,2,0,1,0,0|0,0,0]=3 38172 B12R1.27 CCC(C)CO[C@@H]1CCCOC1 656b38f884dda805455a68ace5c316ce [0,2,0,1,0,0|0,0,0]=3 38173 B12R1.27 CCC(C)CO[C@H]1CCCOC1 c046ba3ba5fd4b7cf54b2f872f2a780c [0,2,0,1,0,0|0,0,0]=3 38174 B12R1.27 CCC(C)NCC1CCCCC1 f2867eaf6d72c686e6bf44458c44f287 [0,2,0,1,0,0|1,0,0]=4 38175 B12R1.27 CCC(C)NCC1CCCCO1 52c3fad6cd533ad76cd61ecdc659e0d6 [0,2,0,1,0,0|0,0,0]=3 38176 B12R1.27 CCC(C)NCC1COCCO1 2a6d1ac625f3abea714b508a1dd1ad97 [0,2,0,1,0,0|1,0,0]=4 38177 B12R1.27 CCC(C)NC[C@H]1COCCO1 248d9fb1d2518c988f9bf931b930de65 [0,2,0,1,0,0|1,0,0]=4 38178 B12R1.27 CCC(C)OCC1CCCCC1 eaedbcb2ff20ccbfda1ca0c3eaf5ad99 [0,2,0,1,0,0|1,0,0]=4 38179 B12R1.27 CCC(C)OCC1CCCCO1 3527b5d8308b45b94b4637bf268df7a0 [0,2,0,1,0,0|0,0,0]=3 38180 B12R1.27 CCC(C)OCC1COCCO1 ae1b570ba0153a3b16e9c21653ad6d00 [0,2,0,1,0,0|1,0,0]=4 38181 B12R1.27 CCC(C)OC[C@@H]1CCCCO1 f35bee9fd46d0369a3f5578f5b14c9dd [0,2,0,1,0,0|0,0,0]=3 38182 B12R1.27 CCC(C)OC[C@@H]1COCCO1 e0ba0288333f10dcb9fcc994a74cd7c0 [0,2,0,1,0,0|1,0,0]=4 38183 B12R1.27 CCC(C)OC[C@H]1CCCCO1 1ef75aeffa3c88b08b15a9f31dcff5e2 [0,2,0,1,0,0|0,0,0]=3 38184 B12R1.27 CCC(C)OC[C@H]1COCCO1 c9a42861b81ff5fec0f80776dda6a7ce [0,2,0,1,0,0|1,0,0]=4 38185 B12R1.27 CCC(O)CNC1CCCCC1 e94386905dc16c62fa637df9b5e642af [0,2,0,1,0,0|1,0,0]=4 38186 B12R1.27 CCC(O)CNC1CCCCO1 8d647ad8187f27fa2cd7be17f8baabfa [0,2,0,1,0,0|0,0,0]=3 38187 B12R1.27 CCC(O)CNC1CCCOC1 1ba3bb277a72e98292d2da0754fd84ed [0,2,0,1,0,0|1,0,0]=4 38188 B12R1.27 CCC(O)CNC1CCOCC1 f029eb0f5001ab822cf14db38421185e [0,2,0,1,0,0|1,0,0]=4 38189 B12R1.27 CCC(O)CNC1CCSCC1 0b627a8a2038c632f3dd2b8eac47d4b7 [0,2,0,1,0,0|1,0,0]=4 38190 B12R1.27 CCC(O)CN[C@@H]1CCCOC1 9c4a0187f2bdf297af709f1de94eab0d [0,2,0,1,0,0|1,0,0]=4 38191 B12R1.27 CCC(O)CN[C@H]1CCCOC1 239e52554936db6181fcea7d89e199e1 [0,2,0,1,0,0|1,0,0]=4 38192 B12R1.27 CCN(C)CCC1CCCCC1 6d946dfc6454ee5ca6772d205e72b1e2 [0,2,0,1,0,0|1,0,0]=4 38193 B12R1.27 CCN(C)CCC1COCCO1 4a9919112782c91ce15728c04f7e1968 [0,2,0,1,0,0|1,0,0]=4 38194 B12R1.27 CCN(C)CCN1CCCCC1 1482bae693cf51108553919785c85cb6 [0,2,0,1,0,0|1,0,0]=4 38195 B12R1.27 CCN(C)CCN1CCCCO1 f04cd496017624b6205f5f5ce78a02e1 [0,2,0,1,0,0|1,0,0]=4 38196 B12R1.27 CCN(C)COC1CCCCC1 e2851ec123c48b040009b3af57e4cdc3 [0,2,0,1,0,0|1,0,0]=4 38197 B12R1.27 CC[C@@H](C)CNC1CCCOC1 2dfe4f907b5db4b8735cb6fd37f01007 [0,2,0,1,0,0|1,0,0]=4 38198 B12R1.27 CC[C@@H](C)CNC1CCOCC1 8de4bc452ae2041b3a384617f0f5c8e0 [0,2,0,1,0,0|1,0,0]=4 38199 B12R1.27 CC[C@@H](C)CNC1CCSCC1 febf7140b9439ee57fca7509842703f7 [0,2,0,1,0,0|1,0,0]=4 38200 B12R1.27 CC[C@@H](C)CN[C@@H]1CCCOC1 a3e163401b20846e51bcc5999571e410 [0,2,0,1,0,0|1,0,0]=4 38201 B12R1.27 CC[C@@H](C)CN[C@H]1CCCOC1 889b40502e4ac12685a2ba304add0809 [0,2,0,1,0,0|1,0,0]=4 38202 B12R1.27 CC[C@@H](C)COC1C=CCCC1 b9da4c9ac9b674acd1be63281b6a08fa [0,2,0,1,0,0|0,0,1]=4 38203 B12R1.27 CC[C@@H](C)COC1CC=CCC1 a260c2a931818bf5b0909cfe44b2d8a5 [0,2,0,1,0,0|0,0,1]=4 38204 B12R1.27 CC[C@@H](C)COC1CCCCC1 3e6d4ba4b8111ffea2e0d344f0a34e1e [0,2,0,1,0,0|0,0,0]=3 38205 B12R1.27 CC[C@@H](C)COC1CCCCO1 59dea294d4a23fdc6aa6afab8f062ade [0,2,0,1,0,0|0,0,0]=3 38206 B12R1.27 CC[C@@H](C)COC1CCCOC1 62185065f0c5557e6ca1575074b4c25f [0,2,0,1,0,0|0,0,0]=3 38207 B12R1.27 CC[C@@H](C)COC1CCCSC1 100a1cbcddd4e06deceec14b125bb211 [0,2,0,1,0,0|0,0,0]=3 38208 B12R1.27 CC[C@@H](C)COC1CCOCC1 3a113784548671e38690c2b3fe802d8f [0,2,0,1,0,0|0,0,0]=3 38209 B12R1.27 CC[C@@H](C)COC1CCSCC1 13ee39c58fc904a71942623177f17f2b [0,2,0,1,0,0|0,0,0]=3 38210 B12R1.27 CC[C@@H](C)CO[C@@H]1CCCOC1 fc2775d86cd5c18463827d87e5707ea2 [0,2,0,1,0,0|0,0,0]=3 38211 B12R1.27 CC[C@@H](C)CO[C@H]1CCCOC1 96a0fce5479220d1095be7dc7400aca9 [0,2,0,1,0,0|0,0,0]=3 38212 B12R1.27 CC[C@@H](C)NCC1CCCCC1 3e34d7cc1802238c97939b070cbda861 [0,2,0,1,0,0|1,0,0]=4 38213 B12R1.27 CC[C@@H](C)NCC1CCCCO1 3a5fd63770303e383da6d2c2058a4a22 [0,2,0,1,0,0|0,0,0]=3 38214 B12R1.27 CC[C@@H](C)NCC1COCCO1 c9a0c76e94daea02d4ef41a782a98c21 [0,2,0,1,0,0|1,0,0]=4 38215 B12R1.27 CC[C@@H](C)OCC1CCCCC1 1ab8bc83389abc029cb1ea482f6d623e [0,2,0,1,0,0|1,0,0]=4 38216 B12R1.27 CC[C@@H](C)OCC1CCCCO1 714b749a570cfbdfc41d9cce16ed6b49 [0,2,0,1,0,0|0,0,0]=3 38217 B12R1.27 CC[C@@H](C)OCC1COCCO1 38a2d799e13c1e8a6cfb569d86ed79e2 [0,2,0,1,0,0|1,0,0]=4 38218 B12R1.27 CC[C@@H](O)CNC1CCCCC1 ba1409687d95f76cd71b5eb38116c485 [0,2,0,1,0,0|1,0,0]=4 38219 B12R1.27 CC[C@@H](O)CNC1CCCCO1 33952a5b22afe306dcc1f1626350c245 [0,2,0,1,0,0|0,0,0]=3 38220 B12R1.27 CC[C@@H](O)CNC1CCCOC1 a75fe4b6d79b7f3f788a74dcc48a773d [0,2,0,1,0,0|1,0,0]=4 38221 B12R1.27 CC[C@@H](O)CNC1CCOCC1 65ae75276b5adb454b6c385a1a31ee7f [0,2,0,1,0,0|1,0,0]=4 38222 B12R1.27 CC[C@@H](O)CNC1CCSCC1 610b0daf98466d5f626273bd2275ae28 [0,2,0,1,0,0|1,0,0]=4 38223 B12R1.27 CC[C@H](C)CNC1CCCCC1 4759c8a1c8bace17d89dfa437f24b525 [0,2,0,1,0,0|1,0,0]=4 38224 B12R1.27 CC[C@H](C)CNC1CCCCO1 fa2046b268ff1f3799bd7b7f56dab75a [0,2,0,1,0,0|0,0,0]=3 38225 B12R1.27 CC[C@H](C)CNC1CCCOC1 1bef94bb638ca53ff4f8e578d5000f77 [0,2,0,1,0,0|1,0,0]=4 38226 B12R1.27 CC[C@H](C)CNC1CCOCC1 608ffacb0ee55fc4189fb84efd51ca81 [0,2,0,1,0,0|1,0,0]=4 38227 B12R1.27 CC[C@H](C)CNC1CCSCC1 2598468623299ca6fa7564952f4d75cc [0,2,0,1,0,0|1,0,0]=4 38228 B12R1.27 CC[C@H](C)CN[C@@H]1CCCOC1 d6ca82519ab49821965049e5bd6c63e9 [0,2,0,1,0,0|1,0,0]=4 38229 B12R1.27 CC[C@H](C)CN[C@H]1CCCOC1 062e79b5ed64918c937c62beec32f148 [0,2,0,1,0,0|1,0,0]=4 38230 B12R1.27 CC[C@H](C)COC1C=CCCC1 611fdf459d8c66dcbe5ec71b6e9bc134 [0,2,0,1,0,0|0,0,1]=4 38231 B12R1.27 CC[C@H](C)COC1CC=CCC1 3184104a4d2886a1416155d62e8ed93a [0,2,0,1,0,0|0,0,1]=4 38232 B12R1.27 CC[C@H](C)COC1CCCCC1 55035e88d3fe84fe1824884ebfe87eeb [0,2,0,1,0,0|0,0,0]=3 38233 B12R1.27 CC[C@H](C)COC1CCCCO1 c0c5a3b67a74cd0c42377ade8228abc0 [0,2,0,1,0,0|0,0,0]=3 38234 B12R1.27 CC[C@H](C)COC1CCCOC1 bd560c91ef02435d8abb7be29f0de957 [0,2,0,1,0,0|0,0,0]=3 38235 B12R1.27 CC[C@H](C)COC1CCCSC1 bc7fdbc84c3ea10bd024662689411d4c [0,2,0,1,0,0|0,0,0]=3 38236 B12R1.27 CC[C@H](C)COC1CCOCC1 e45d3e278dbcc3f0c4a073a0b1644ee1 [0,2,0,1,0,0|0,0,0]=3 38237 B12R1.27 CC[C@H](C)COC1CCSCC1 78c55afd8b80f3129333897db609c27d [0,2,0,1,0,0|0,0,0]=3 38238 B12R1.27 CC[C@H](C)CO[C@@H]1CCCOC1 45b517a6f4f43bfc6579be53f1674bb2 [0,2,0,1,0,0|0,0,0]=3 38239 B12R1.27 CC[C@H](C)CO[C@H]1CCCOC1 feaf363110ffd5e7cbd858eed5504b60 [0,2,0,1,0,0|0,0,0]=3 38240 B12R1.27 CC[C@H](C)NCC1CCCCC1 5943e3183c92d75daf54f5f34d1c1c6e [0,2,0,1,0,0|1,0,0]=4 38241 B12R1.27 CC[C@H](C)NCC1CCCCO1 6a7e6faedf0e5c3cdbd1e76f4ef6e470 [0,2,0,1,0,0|0,0,0]=3 38242 B12R1.27 CC[C@H](C)NCC1COCCO1 7d381fb4e727ae611f1e235c9848e8df [0,2,0,1,0,0|1,0,0]=4 38243 B12R1.27 CC[C@H](C)OCC1CCCCC1 74e485591ba06fd98d555b7fb83aac1b [0,2,0,1,0,0|1,0,0]=4 38244 B12R1.27 CC[C@H](C)OCC1CCCCO1 041810624368794685ed9b64e26895f1 [0,2,0,1,0,0|0,0,0]=3 38245 B12R1.27 CC[C@H](C)OCC1COCCO1 41ae5f5771e934276192865336d3bd4d [0,2,0,1,0,0|1,0,0]=4 38246 B12R1.27 COC(C)COC1CCCCC1 1a81a583a7360ff0fcf65010e462f02f [0,2,0,1,0,0|1,0,0]=4 38247 B12R1.27 COC(C)COC1CCCCO1 c346666f1390f5d032baaf3a2052689c [0,2,0,1,0,0|1,0,0]=4 38248 B12R1.27 COC(C)COC1CCCOC1 02bb16168c83a85d8830e44567cb116d [0,2,0,1,0,0|1,0,0]=4 38249 B12R1.27 COC(C)COC1CCCSC1 680bf49a44c2d09d35baa01f3f27976b [0,2,0,1,0,0|1,0,0]=4 38250 B12R1.27 COC(C)COC1CCOCC1 aa01555839d9c7db847db722fd494375 [0,2,0,1,0,0|1,0,0]=4 38251 B12R1.27 COC(C)COC1CCSCC1 7d0a5112b3b9b4746be881082e20bf80 [0,2,0,1,0,0|1,0,0]=4 38252 B12R1.27 COC(C)CO[C@@H]1CCCOC1 28b6bd5072fd811d768f0a3d997a7aa3 [0,2,0,1,0,0|1,0,0]=4 38253 B12R1.27 COC(C)CO[C@H]1CCCOC1 e90b6c542f5721cb2f94de86c871a5b6 [0,2,0,1,0,0|1,0,0]=4 38254 B12R1.27 CO[C@@H](C)CNC1CCCCO1 7531a91448c0bb2f5b841ab18b4dd0da [0,2,0,1,0,0|1,0,0]=4 38255 B12R1.27 CO[C@@H](C)COC1CCCCC1 23d0266ebbcfd5b262e6acef0343218e [0,2,0,1,0,0|1,0,0]=4 38256 B12R1.27 CO[C@@H](C)COC1CCCCO1 e5833f99c8309bfbe2b88c05c7a13be4 [0,2,0,1,0,0|1,0,0]=4 38257 B12R1.27 CO[C@@H](C)COC1CCCOC1 35cdcee93be9a13f6131649054601679 [0,2,0,1,0,0|1,0,0]=4 38258 B12R1.27 CO[C@@H](C)COC1CCCSC1 f4ae5dfba482f1c353164c2ed932a0a2 [0,2,0,1,0,0|1,0,0]=4 38259 B12R1.27 CO[C@@H](C)COC1CCOCC1 35654de238606c00302a45378c3d42ab [0,2,0,1,0,0|1,0,0]=4 38260 B12R1.27 CO[C@@H](C)COC1CCSCC1 88f135ee412592dd4a0fae0e5b3314de [0,2,0,1,0,0|1,0,0]=4 38261 B12R1.27 CO[C@@H](C)CO[C@@H]1CCCOC1 ae77c18ab70ad9b62a53d589f02ce34b [0,2,0,1,0,0|1,0,0]=4 38262 B12R1.27 CO[C@@H](C)CO[C@H]1CCCOC1 5db199acfe7250cb9188fa8209c019d8 [0,2,0,1,0,0|1,0,0]=4 38263 B12R1.27 CO[C@H](C)CNC1CCCCO1 576c626b227ccb91f60f99088ce2debb [0,2,0,1,0,0|1,0,0]=4 38264 B12R1.27 CO[C@H](C)COC1CCCCC1 4c657faef2a1880bd23d23feb2f306ac [0,2,0,1,0,0|1,0,0]=4 38265 B12R1.27 CO[C@H](C)COC1CCCCO1 a7480a6fd17869d052c2c7b4e48bc2f6 [0,2,0,1,0,0|1,0,0]=4 38266 B12R1.27 CO[C@H](C)COC1CCCOC1 993d46bff92174e3a9e8a9231252372f [0,2,0,1,0,0|1,0,0]=4 38267 B12R1.27 CO[C@H](C)COC1CCCSC1 baa6f5f8a0257ac47e7a0ef8b4fd62b3 [0,2,0,1,0,0|1,0,0]=4 38268 B12R1.27 CO[C@H](C)COC1CCOCC1 13d4e2d7f8c81e717f889602cbee775d [0,2,0,1,0,0|1,0,0]=4 38269 B12R1.27 CO[C@H](C)COC1CCSCC1 6bc0d3cb1e2485f4bd1ed0f2351875f2 [0,2,0,1,0,0|1,0,0]=4 38270 B12R1.27 CO[C@H](C)CO[C@@H]1CCCOC1 183130873220c05458ff2ffbee658210 [0,2,0,1,0,0|1,0,0]=4 38271 B12R1.27 CO[C@H](C)CO[C@H]1CCCOC1 bd0e4d5931ffe01d5e40d6fe0e477274 [0,2,0,1,0,0|1,0,0]=4 38272 B12R1.27 C[C@@H](CO)NCC1CCCCO1 15121739228b3f73f8e0dabd54538953 [0,2,0,1,0,0|1,0,0]=4 38273 B12R1.27 C[C@H](C=O)NCC1CCCCO1 febc347fd39ed46fcd1a1567e51a0375 [0,2,0,1,0,0|1,0,0]=4 38274 B12R1.27 C[C@H](C=O)OCC1CCCCO1 dbc9a3571d89573d42015c688fef9636 [0,2,0,1,0,0|1,0,0]=4 38275 B12R1.27 C[C@H](C=O)OC[C@@H]1CCCCO1 ea815188a061f23ce3e645a797607b93 [0,2,0,1,0,0|1,0,0]=4 38276 B12R1.27 C[C@H](C=O)OC[C@H]1CCCCO1 7ee3651b1d17c71eeab74c19da2ac008 [0,2,0,1,0,0|1,0,0]=4 38277 B12R1.27 C[C@H](CO)CNC1CCCCO1 c2661120b3e9d11760a0934a2e412a7d [0,2,0,1,0,0|1,0,0]=4 38278 B12R1.27 C[C@H](CO)NCC1CCCCO1 c2e937e440873aeb1ed990dc5757792a [0,2,0,1,0,0|1,0,0]=4 38279 B12R1.27 C[C@H](CS)OCC1CCCCO1 bd447d70a9ed3f2cc4ec4e7001f1f504 [0,2,0,1,0,0|1,0,0]=4 38280 B12R1.27 ClCC(Cl)COC1CCCCC1 ab7a7d718b68ca8c6ea3eafcc60ba507 [0,2,0,1,0,0|1,0,0]=4 38281 B12R1.27 ClCC(Cl)COC1CCCCO1 f8ad9aae49469d0c9260ae7262a41751 [0,2,0,1,0,0|1,0,0]=4 38282 B12R1.27 ClCC(Cl)COC1CCOCC1 4044ecda53c54ad3d157bd91b829e102 [0,2,0,1,0,0|1,0,0]=4 38283 B12R1.27 ClCC(Cl)COC1CCSCC1 944093e5dbedac7ce20c410ee9ab3821 [0,2,0,1,0,0|1,0,0]=4 38284 B12R1.27 OCC(F)CNC1CCCCO1 1506a2c547c43f9371adf8328098be3f [0,2,0,1,0,0|1,0,0]=4 38285 B12R1.27 OCC(O)CNC1CCCCO1 c336a7b7281c7a6c618b03f30650a16c [0,2,0,1,0,0|1,0,0]=4 38286 B12R1.27 OCC(O)COC1CCCCC1 639c33df534847e1fb2ca6997dbb9f85 [0,2,0,1,0,0|1,0,0]=4 38287 B12R1.27 OCC(O)COC1CCCCO1 e4f61e7f61590aee3ca04621cc217de5 [0,2,0,1,0,0|1,0,0]=4 38288 B12R1.27 OCC(O)COC1CCCOC1 f7584aadc66885cb94b56cb3772fc750 [0,2,0,1,0,0|1,0,0]=4 38289 B12R1.27 OCC(O)COC1CCCSC1 d5a7815317f083f49ffd1777ab91b2e8 [0,2,0,1,0,0|1,0,0]=4 38290 B12R1.27 OCC(O)COC1CCOCC1 632b082ad714c2cdb324260eb5215e66 [0,2,0,1,0,0|1,0,0]=4 38291 B12R1.27 OCC(O)COC1CCSCC1 c51c31efb76324675ce71e75938d714a [0,2,0,1,0,0|1,0,0]=4 38292 B12R1.27 OCC(O)CO[C@@H]1CCCOC1 992736dab9b5a9b6135432b030c2888d [0,2,0,1,0,0|1,0,0]=4 38293 B12R1.27 OCC(O)CO[C@H]1CCCOC1 477578f5e241971cb0a2e9bcf8af2b61 [0,2,0,1,0,0|1,0,0]=4 38294 B12R1.27 OC[C@@H](F)CNC1CCCCO1 a700c420367ca561cdeb8075e29f676b [0,2,0,1,0,0|1,0,0]=4 38295 B12R1.27 OC[C@@H](O)CNC1CCCCO1 95b0c3a0f5813c74e0ce2f9b8763893b [0,2,0,1,0,0|1,0,0]=4 38296 B12R1.27 OC[C@@H](O)COC1CCCCC1 54b8083fe9a731cf7ffff974978187eb [0,2,0,1,0,0|1,0,0]=4 38297 B12R1.27 OC[C@@H](O)COC1CCCCO1 3fc58922390d34492ce306fb8a26d0e4 [0,2,0,1,0,0|1,0,0]=4 38298 B12R1.27 OC[C@@H](O)COC1CCCOC1 39fd96fb456d2de2f258a8e72ae0fa7f [0,2,0,1,0,0|1,0,0]=4 38299 B12R1.27 OC[C@@H](O)COC1CCCSC1 895683b09b3c63c7662dc6c2fda83136 [0,2,0,1,0,0|1,0,0]=4 38300 B12R1.27 OC[C@@H](O)COC1CCOCC1 5d3c45764f6b0d15b8de1d3f6892940d [0,2,0,1,0,0|1,0,0]=4 38301 B12R1.27 OC[C@@H](O)COC1CCSCC1 5fd894bf435e7cdba332126419791803 [0,2,0,1,0,0|1,0,0]=4 38302 B12R1.27 OC[C@@H](O)CO[C@@H]1CCCOC1 1f0245fc7ee5154eed3645f9a935e050 [0,2,0,1,0,0|1,0,0]=4 38303 B12R1.27 OC[C@@H](O)CO[C@H]1CCCOC1 03de29a446fcb8b6a707ff93d693baba [0,2,0,1,0,0|1,0,0]=4 38304 B12R1.27 OC[C@H](F)CNC1CCCCO1 067d3b3ebb06c01ea9bcd4ba41f1523f [0,2,0,1,0,0|1,0,0]=4 38305 B12R1.27 OC[C@H](O)CNC1CCCCO1 17079500d34e4e09b7b7841d60b24bc6 [0,2,0,1,0,0|1,0,0]=4 38306 B12R1.27 OC[C@H](O)COC1CCCCC1 741ae7bc646a14022b6f6f9193b0fc69 [0,2,0,1,0,0|1,0,0]=4 38307 B12R1.27 OC[C@H](O)COC1CCCCO1 7e0ac5bc4b265f415299e0d8d2c8468f [0,2,0,1,0,0|1,0,0]=4 38308 B12R1.27 OC[C@H](O)COC1CCCOC1 d19a9fc02b1c1fd0f804229a92fce967 [0,2,0,1,0,0|1,0,0]=4 38309 B12R1.27 OC[C@H](O)COC1CCCSC1 f3831dc59145e8e48b3e154cd5c7c732 [0,2,0,1,0,0|1,0,0]=4 38310 B12R1.27 OC[C@H](O)COC1CCOCC1 d371269be704437a719c7a695bdbfb6c [0,2,0,1,0,0|1,0,0]=4 38311 B12R1.27 OC[C@H](O)COC1CCSCC1 e18f76e68267ae806b5674866ab33af3 [0,2,0,1,0,0|1,0,0]=4 38312 B12R1.27 OC[C@H](O)CO[C@@H]1CCCOC1 c422d4dfba20fde9547335ffde1d2d38 [0,2,0,1,0,0|1,0,0]=4 38313 B12R1.27 OC[C@H](O)CO[C@H]1CCCOC1 a28076c881e13379002ed8ed791cbae8 [0,2,0,1,0,0|1,0,0]=4 38314 B12R1.27 SCC(S)COC1CCCCC1 ae6ce20313f77d0e3d0317a64b83d14a [0,2,0,1,0,0|1,0,0]=4 38315 B12R1.27 SCC(S)COC1CCCCO1 e9c99cf32298e10207b73951facc5a1c [0,2,0,1,0,0|1,0,0]=4 38316 B12R1.27 SCC(S)COC1CCOCC1 cef12c85f46979da57836052f1f23732 [0,2,0,1,0,0|1,0,0]=4 38317 B12R1.27 SCC(S)COC1CCSCC1 9cecfac712501e894949e221dcff32a2 [0,2,0,1,0,0|1,0,0]=4 38318 B12R1.77 C#CC(C)N1CCOCC1CC c924c89b1cb86dbe31fc25d658419397 [0,2,0,1,0,0|1,0,0]=4 38319 B12R1.77 C#CC(C)N1CCOC[C@@H]1CC b798aeb6a936c2c375066093fc295ee8 [0,2,0,1,0,0|1,0,0]=4 38320 B12R1.77 C#CC(C)N1CCOC[C@H]1CC 8c7c191c3a47606a4a8e194ab804c96a [0,2,0,1,0,0|1,0,0]=4 38321 B12R1.77 C=CC(C)N1CCOCC1CC 6b43fe5a76a34ec4a4e8286376402fa5 [0,2,0,1,0,0|1,0,0]=4 38322 B12R1.77 C=CC(C)N1CCOC[C@@H]1CC c5b0fdceb0322c42eb9efaed4e1f6619 [0,2,0,1,0,0|1,0,0]=4 38323 B12R1.77 C=CC(C)N1CCOC[C@H]1CC 6a38044b5d4a130f06029b8e8f964125 [0,2,0,1,0,0|1,0,0]=4 38324 B12R1.77 CCC(=O)N1CCOCC1CC 4345b2b570b912eadc89d95193011f54 [0,2,0,1,0,0|0,0,1]=4 38325 B12R1.77 CCC(=O)N1CCOC[C@@H]1CC f2af6c03eafa9dd3c13bd9821a0bc817 [0,2,0,1,0,0|0,0,1]=4 38326 B12R1.77 CCC(=O)N1CCOC[C@H]1CC a5c039a3078cece28247c954cf63e57e [0,2,0,1,0,0|0,0,1]=4 38327 B12R1.77 CCC(C)N1CCCCC1CC 4df628384c55e5649ae3f27cf145235f [0,2,0,1,0,0|1,0,0]=4 38328 B12R1.77 CCC(C)N1CCCC[C@@H]1CC db47e0b126334522e128b9358729ef38 [0,2,0,1,0,0|1,0,0]=4 38329 B12R1.77 CCC(C)N1CCCC[C@H]1CC 52c64ee006bbad688f7f3149cbab2460 [0,2,0,1,0,0|1,0,0]=4 38330 B12R1.77 CCC(C)N1CCOCC1CC d6ea98aa4fddbdc053e33ae12b8281fa [0,2,0,1,0,0|0,0,0]=3 38331 B12R1.77 CCC(C)N1CCOCC1CO 4da8896e8ec2bbb1315a3209c962dd44 [0,2,0,1,0,0|1,0,0]=4 38332 B12R1.77 CCC(C)N1CCOC[C@@H]1CC a0965be53cc777bf704a90abeaa03162 [0,2,0,1,0,0|0,0,0]=3 38333 B12R1.77 CCC(C)N1CCOC[C@@H]1CO 7ad146f9e6429a501b9545404c883645 [0,2,0,1,0,0|1,0,0]=4 38334 B12R1.77 CCC(C)N1CCOC[C@H]1CC 2883301bf89e86f918e9a1ed9a5e5650 [0,2,0,1,0,0|0,0,0]=3 38335 B12R1.77 CCC(C)N1CCOC[C@H]1CO e9e24e3325376a61f872115c75e765cf [0,2,0,1,0,0|1,0,0]=4 38336 B12R1.77 CCC1COCCN1C(C)C#N ff7058bda2c405f65adea6cd24e2f1c0 [0,2,0,1,0,0|1,0,0]=4 38337 B12R1.77 CCC1COCCN1C(C)C=O 8341a68d7189f22443949194b16b3555 [0,2,0,1,0,0|1,0,0]=4 38338 B12R1.77 CCC1COCCN1C(C)CO 4e26b4f81e7a409cd4b14d1c9f7e764a [0,2,0,1,0,0|1,0,0]=4 38339 B12R1.77 CCC1COCCN1[C@@H](C)CO a7c579f1e435a60fb03c89690ea656ef [0,2,0,1,0,0|1,0,0]=4 38340 B12R1.77 CCC1COCCN1[C@H](C)C=O 0cef6dd2d458f357d1b27b35ed0c4d30 [0,2,0,1,0,0|1,0,0]=4 38341 B12R1.77 CCC1COCCN1[C@H](C)CO 4f840c58baa487cf1a3151ab55fbb417 [0,2,0,1,0,0|1,0,0]=4 38342 B12R1.77 CC[C@@H]1COCCN1C(C)C#N 322b7f52eb8057bb74b5be5ccdd5f0e2 [0,2,0,1,0,0|1,0,0]=4 38343 B12R1.77 CC[C@@H]1COCCN1C(C)C=O 46e1e3b941ca223dede4f5f8b4aa5120 [0,2,0,1,0,0|1,0,0]=4 38344 B12R1.77 CC[C@@H]1COCCN1C(C)CO e4efa62691852a712354f58a1e22161b [0,2,0,1,0,0|1,0,0]=4 38345 B12R1.77 CC[C@@H]1COCCN1[C@@H](C)CO 2ceb621e3bd7f6ae2a9b039505cef7cf [0,2,0,1,0,0|1,0,0]=4 38346 B12R1.77 CC[C@@H]1COCCN1[C@H](C)C=O e5356e1cd78c437c437a34fad2f6ed4b [0,2,0,1,0,0|1,0,0]=4 38347 B12R1.77 CC[C@@H]1COCCN1[C@H](C)CO f4748e61505bb219da8eba42565ad93c [0,2,0,1,0,0|1,0,0]=4 38348 B12R1.77 CC[C@H]1COCCN1C(C)C#N de660899d43d7bd3922c96e20120644a [0,2,0,1,0,0|1,0,0]=4 38349 B12R1.77 CC[C@H]1COCCN1C(C)C=O b26b6c4122275e5f4ad859779ed21dcc [0,2,0,1,0,0|1,0,0]=4 38350 B12R1.77 CC[C@H]1COCCN1C(C)CO b280d2a32012bb5f6f79e8fa16fc82b9 [0,2,0,1,0,0|1,0,0]=4 38351 B12R1.77 CC[C@H]1COCCN1[C@@H](C)CO 82a09ee68eb1643dbd9e01dcba534bf1 [0,2,0,1,0,0|1,0,0]=4 38352 B12R1.77 CC[C@H]1COCCN1[C@H](C)C=O 552ffb8e06a0cf23f3054655ecae9dd6 [0,2,0,1,0,0|1,0,0]=4 38353 B12R1.77 CC[C@H]1COCCN1[C@H](C)CO 8efcbaa807afbd70ac7be78957cf870a [0,2,0,1,0,0|1,0,0]=4 38354 B12R1.82 CCC(C)CN1CCCC1CC 818f6a9e2fb26418ae9db935f03442bc [0,2,0,1,0,0|1,0,0]=4 38355 B12R1.82 CCC(C)CN1CCCC1CO aec476188856eaeeb31a9110978919c7 [0,2,0,1,0,0|1,0,0]=4 38356 B12R1.82 CCC(C)CN1CCCC1OC b86808fe52df535652108c855fe54710 [0,2,0,1,0,0|1,0,0]=4 38357 B12R1.82 CCC(C)CN1CCC[C@@H]1CF 4e14ab0e7696767ea68ee98050af96bc [0,2,0,1,0,0|1,0,0]=4 38358 B12R1.82 CCC(C)CN1CCC[C@@H]1CO 7f19f4aaffd872c492c0caf2b1e74246 [0,2,0,1,0,0|1,0,0]=4 38359 B12R1.82 CCC(C)CN1CCC[C@H]1CC 1778b5e3b9603e45f14ca00d1cc5d9de [0,2,0,1,0,0|1,0,0]=4 38360 B12R1.82 CCC(C)CN1CCC[C@H]1CF f7f23c69e2d2320b18da9408e97001bb [0,2,0,1,0,0|1,0,0]=4 38361 B12R1.82 CCC(C)CN1CCC[C@H]1CO 976e14a576f196937e669a8489a26a77 [0,2,0,1,0,0|1,0,0]=4 38362 B12R1.82 CCC(C)NC1COCC1CO 2065dc0a2720863060d27ae1066282c0 [0,2,0,1,0,0|1,0,0]=4 38363 B12R1.82 CCC(C)NC1COCC1OC 29be08650757f84460c379d217013bfc [0,2,0,1,0,0|1,0,0]=4 38364 B12R1.82 CCC(C)N[C@@H]1CCC[C@H]1CC e334e332ab1bf1e49f2d2e36ba95028d [0,2,0,1,0,0|1,0,0]=4 38365 B12R1.82 CCC(C)N[C@@H]1COC[C@@H]1OC 1f8afbd9dc579292dcacdb6fdbc5a7f0 [0,2,0,1,0,0|1,0,0]=4 38366 B12R1.82 CCC(C)N[C@@H]1COC[C@H]1CO 95bfec523a59c8d07b0f5f4ced84034b [0,2,0,1,0,0|1,0,0]=4 38367 B12R1.82 CCC(C)N[C@@H]1COC[C@H]1OC ff6c4b94177e37506cd98e5c30e28458 [0,2,0,1,0,0|1,0,0]=4 38368 B12R1.82 CCC(C)N[C@H]1COC[C@@H]1OC c6fdadc60bae48abc74f0e5e65d08c33 [0,2,0,1,0,0|1,0,0]=4 38369 B12R1.82 CCC(C)N[C@H]1COC[C@H]1OC d3c187d5ec573c74a6060b7a0aa2807e [0,2,0,1,0,0|1,0,0]=4 38370 B12R1.82 CCC(O)CN1CCCC1CC d1a35c882f4ccb93b826edad312dc56f [0,2,0,1,0,0|1,0,0]=4 38371 B12R1.82 CCC(O)CN1CCCC1CO 611f63ef6af8bb55cfb436d5a5b37cf2 [0,2,0,1,0,0|1,0,0]=4 38372 B12R1.82 CCC(O)CN1CCCC1OC 610519e8c511077a2f37ffbb1b678129 [0,2,0,1,0,0|1,0,0]=4 38373 B12R1.82 CCC(O)CN1CCC[C@@H]1CF b2028a7bbd086c1b6461f07bc3f7e48f [0,2,0,1,0,0|1,0,0]=4 38374 B12R1.82 CCC(O)CN1CCC[C@@H]1CO d19ac4dbc497b00b98811202ab6a8243 [0,2,0,1,0,0|1,0,0]=4 38375 B12R1.82 CCC(O)CN1CCC[C@H]1CC a0b20a87d3b079a8f5e656e862c1dfc7 [0,2,0,1,0,0|1,0,0]=4 38376 B12R1.82 CCC(O)CN1CCC[C@H]1CF a23b1e4fb25df295fe498c5e25629b54 [0,2,0,1,0,0|1,0,0]=4 38377 B12R1.82 CCC(O)CN1CCC[C@H]1CO 536608d033d2afc03c3fa307a1b27f9a [0,2,0,1,0,0|1,0,0]=4 38378 B12R1.82 CCC1CCCN1C[C@@H](C)CC 0bee44ad8040770e5d39e1f451c1b2b2 [0,2,0,1,0,0|1,0,0]=4 38379 B12R1.82 CCC1CCCN1C[C@H](C)CC 91f2a85c3a1d3a42e8b2a45f7b17f91b [0,2,0,1,0,0|1,0,0]=4 38380 B12R1.82 CC[C@@H](C)CN1CCCC1CO 6c201e07e3bf1cbe42c00279730cd1a6 [0,2,0,1,0,0|1,0,0]=4 38381 B12R1.82 CC[C@@H](C)CN1CCCC1OC 6fa2a0eaed4202948b6f01061571d442 [0,2,0,1,0,0|1,0,0]=4 38382 B12R1.82 CC[C@@H](C)CN1CCC[C@@H]1CF 55164fa06f93b09bc9ff6c396472f372 [0,2,0,1,0,0|1,0,0]=4 38383 B12R1.82 CC[C@@H](C)CN1CCC[C@@H]1CO 40bb1f17e75a12669740a5281561f6c1 [0,2,0,1,0,0|1,0,0]=4 38384 B12R1.82 CC[C@@H](C)CN1CCC[C@H]1CC ef224c37ae6695ce188ffe8527867ff2 [0,2,0,1,0,0|1,0,0]=4 38385 B12R1.82 CC[C@@H](C)CN1CCC[C@H]1CF ea3e83304daac9c9bda2a45f74a49aee [0,2,0,1,0,0|1,0,0]=4 38386 B12R1.82 CC[C@@H](C)CN1CCC[C@H]1CO 429dcac3ced14779fe8e510528241f0f [0,2,0,1,0,0|1,0,0]=4 38387 B12R1.82 CC[C@H](C)CN1CCCC1CO ae2bceba0d0ef2d721522c091bc7696e [0,2,0,1,0,0|1,0,0]=4 38388 B12R1.82 CC[C@H](C)CN1CCCC1OC c91b180b0068bf6dd782918fd7829d14 [0,2,0,1,0,0|1,0,0]=4 38389 B12R1.82 CC[C@H](C)CN1CCC[C@@H]1CF c05ded751bc109d0269f64bc558fbaa3 [0,2,0,1,0,0|1,0,0]=4 38390 B12R1.82 CC[C@H](C)CN1CCC[C@@H]1CO 46e814812b7c04309e190f1098af4e66 [0,2,0,1,0,0|1,0,0]=4 38391 B12R1.82 CC[C@H](C)CN1CCC[C@H]1CC 9f77cf4111d31d8ff0775a201e079c3e [0,2,0,1,0,0|1,0,0]=4 38392 B12R1.82 CC[C@H](C)CN1CCC[C@H]1CF ba0bbaae052bcae5113c070d71b6b591 [0,2,0,1,0,0|1,0,0]=4 38393 B12R1.82 CC[C@H](C)CN1CCC[C@H]1CO 54bdccd3312f575d82d13ae62e043bde [0,2,0,1,0,0|1,0,0]=4 38394 B12R1.163 CCC(C)CN1CCC1CCO 8354ed8cb978d945a269c8ee6a38af45 [0,2,0,1,0,0|1,0,0]=4 38395 B12R1.163 CCC(C)CN1CCC1COC c4d9c38958ca3b9ff4a1b34e7460e700 [0,2,0,1,0,0|1,0,0]=4 38396 B12R1.163 CCC(C)CN1CC[C@@H]1COC 3e325e0f78f6ceb4eeda14b22d693f6d [0,2,0,1,0,0|1,0,0]=4 38397 B12R1.163 CCC(C)CN1CC[C@H]1COC 938f13903282e42f1e38f264a275aabf [0,2,0,1,0,0|1,0,0]=4 38398 B12R1.163 CCC(O)CN1CCC1CCO 8e7885fc3f6c7755545b586733e4321d [0,2,0,1,0,0|1,0,0]=4 38399 B12R1.163 CCC(O)CN1CCC1COC 85cd811e18141362049a2f418e4be2a8 [0,2,0,1,0,0|1,0,0]=4 38400 B12R1.163 CCC(O)CN1CC[C@@H]1COC 974205876ea69e63f4dacc0820697c28 [0,2,0,1,0,0|1,0,0]=4 38401 B12R1.163 CCC(O)CN1CC[C@H]1COC 1c538b8f54b7ddf3d635d83bceb94a7a [0,2,0,1,0,0|1,0,0]=4 38402 B12R1.163 CC[C@@H](C)CN1CCC1CCO 7b14d6e9e978f411290ef97c52e8c675 [0,2,0,1,0,0|1,0,0]=4 38403 B12R1.163 CC[C@@H](C)CN1CCC1COC c0e9d14f1f97c4c245e885c8555fba86 [0,2,0,1,0,0|1,0,0]=4 38404 B12R1.163 CC[C@@H](C)CN1CC[C@@H]1COC 3b0688c2df8b37d48e337ddfe0c8860d [0,2,0,1,0,0|1,0,0]=4 38405 B12R1.163 CC[C@@H](C)CN1CC[C@H]1COC d3a0f7e4825254c10524353d74d2109d [0,2,0,1,0,0|1,0,0]=4 38406 B12R1.163 CC[C@H](C)CN1CCC1CCO e6b34cc76a7b3d0abf9a0dac8c511905 [0,2,0,1,0,0|1,0,0]=4 38407 B12R1.163 CC[C@H](C)CN1CCC1COC e56497252e2663538251b776edfd569c [0,2,0,1,0,0|1,0,0]=4 38408 B12R1.163 CC[C@H](C)CN1CC[C@@H]1COC 93ff193f2dc6d0a545d2558076f7c0a4 [0,2,0,1,0,0|1,0,0]=4 38409 B12R1.163 CC[C@H](C)CN1CC[C@H]1COC 8b19f5f220b8c9ed5a4d926d58b4984e [0,2,0,1,0,0|1,0,0]=4 38410 B12R1.271 C#CCCCCCNC1CC1C 59187b173b3516626904bd34df618298 [0,2,0,1,0,0|1,0,0]=4 38411 B12R1.271 C#CCCCCOCC1CC1C 91a026045dedcd6fb63cf218bbded9da [0,2,0,1,0,0|0,0,0]=3 38412 B12R1.271 C#CCCCCOC[C@@H]1C[C@@H]1C da5346a28ef7178d7dac65e0a67aa180 [0,2,0,1,0,0|0,0,0]=3 38413 B12R1.271 C#CCCCCOC[C@@H]1C[C@@H]1F 9c67bf4561f87f3ef91c07b58d4ced9e [0,2,0,1,0,0|0,0,1]=4 38414 B12R1.271 C#CCCCCOC[C@@H]1C[C@H]1C d2455a10195ca1750b81ef001c5c4cb9 [0,2,0,1,0,0|0,0,0]=3 38415 B12R1.271 C#CCCCCOC[C@@H]1C[C@H]1F 7b59fd1884df012afff410c58e4bc676 [0,2,0,1,0,0|0,0,1]=4 38416 B12R1.271 C#CCCCCOC[C@H]1C[C@@H]1C bf0a8ec6ebd13bd841ba3655c626b7bf [0,2,0,1,0,0|0,0,0]=3 38417 B12R1.271 C#CCCCCOC[C@H]1C[C@@H]1F f427da9ebfa8f21cdb915aec2a44edea [0,2,0,1,0,0|0,0,1]=4 38418 B12R1.271 C#CCCCCOC[C@H]1C[C@H]1F 94dcac5ffd3d20489e077b55bcb8dabd [0,2,0,1,0,0|0,0,1]=4 38419 B12R1.271 C#CCOCCOCC1CC1C e71b310c0d49a2b556ec3091b85b792f [0,2,0,1,0,0|0,0,1]=4 38420 B12R1.271 C#CCOCCOC[C@@H]1C[C@@H]1C dc92b3c45cfd3b54f3832105c58a0756 [0,2,0,1,0,0|0,0,1]=4 38421 B12R1.271 C#CCOCCOC[C@@H]1C[C@H]1C 0304d213f64f28a6516790e2c973c057 [0,2,0,1,0,0|0,0,1]=4 38422 B12R1.271 C#CCOCCOC[C@H]1C[C@@H]1C 9740b2bc61c7fbff9c89c5ce7eafbe95 [0,2,0,1,0,0|0,0,1]=4 38423 B12R1.271 C/C=C\CCCOCC1CC1C 6badaf34f0ffa782a61fb2fe3c925d45 [0,2,0,1,0,0|0,0,0]=3 38424 B12R1.271 C/C=C\CCCOC[C@@H]1C[C@@H]1C cd97bfe03d2dbb387db5768223e80b47 [0,2,0,1,0,0|0,0,0]=3 38425 B12R1.271 C/C=C\CCCOC[C@@H]1C[C@@H]1F d2e8948b68c47a060c84fe821a8c3005 [0,2,0,1,0,0|0,0,1]=4 38426 B12R1.271 C/C=C\CCCOC[C@@H]1C[C@H]1C 97967c5db18397d2be100927d3b4963b [0,2,0,1,0,0|0,0,0]=3 38427 B12R1.271 C/C=C\CCCOC[C@@H]1C[C@H]1F 3998a799d54659ac0570156fab54c545 [0,2,0,1,0,0|0,0,1]=4 38428 B12R1.271 C/C=C\CCCOC[C@H]1C[C@@H]1C 34f94fe46af7cad8c58d615d52507944 [0,2,0,1,0,0|0,0,0]=3 38429 B12R1.271 C/C=C\CCCOC[C@H]1C[C@@H]1F d58d623aaa4e5411169fdfdc4545d530 [0,2,0,1,0,0|0,0,1]=4 38430 B12R1.271 C/C=C\CCCOC[C@H]1C[C@H]1F 13839ccccb7ac96fdbcb6a05c22be390 [0,2,0,1,0,0|0,0,1]=4 38431 B12R1.271 C=C1CC1COCCCCCC 869a2c97573a88780e2747c36be1cccc [0,2,0,1,0,0|0,0,1]=4 38432 B12R1.271 C=C1CC1COCCCCCF dc1b1e6e40ec4be560e2f5970e30829f [0,2,0,1,0,0|0,0,1]=4 38433 B12R1.271 C=C1CC1COCCCCOC 40c5b9e9fca7776ed91197700145ad21 [0,2,0,1,0,0|0,0,1]=4 38434 B12R1.271 C=C1CC1COCCCOCC 67f21297c170367111ec1a384ece8cf0 [0,2,0,1,0,0|0,0,1]=4 38435 B12R1.271 C=C1CC1COCCCSCC c0692bb4d47b7852cbdcd648fe191248 [0,2,0,1,0,0|0,0,1]=4 38436 B12R1.271 C=C1CC1COCCOCCC 538681646a8928b1268761e2304299b2 [0,2,0,1,0,0|0,0,1]=4 38437 B12R1.271 C=C1CC1COCOCCCC 5695ff53af43f3dbbe21ce5e3b90a3dd [0,2,0,1,0,0|0,0,1]=4 38438 B12R1.271 C=CCCCCCNC1CC1C aaffe87164b570acc36fc1e4af7952b2 [0,2,0,1,0,0|1,0,0]=4 38439 B12R1.271 C=CCCCCOCC1CC1C 1b73f64eb50d6fbe69785a4abdef2663 [0,2,0,1,0,0|0,0,0]=3 38440 B12R1.271 C=CCCCCOC[C@@H]1C[C@@H]1C 3d0b6e6f808128f7c9f2676176402fae [0,2,0,1,0,0|0,0,0]=3 38441 B12R1.271 C=CCCCCOC[C@@H]1C[C@@H]1F aa9a97b8cdf4313feed41eda0d92c2c6 [0,2,0,1,0,0|0,0,1]=4 38442 B12R1.271 C=CCCCCOC[C@@H]1C[C@H]1C 3da630de6b88866e76543b071efec0fa [0,2,0,1,0,0|0,0,0]=3 38443 B12R1.271 C=CCCCCOC[C@@H]1C[C@H]1F a0acf653d2e198d4544f32af5c028085 [0,2,0,1,0,0|0,0,1]=4 38444 B12R1.271 C=CCCCCOC[C@H]1C[C@@H]1C 1d6d57578a50f64244b42fd4d9dc3a5a [0,2,0,1,0,0|0,0,0]=3 38445 B12R1.271 C=CCCCCOC[C@H]1C[C@@H]1F cdcfc528d18dba26b780d296ba066d51 [0,2,0,1,0,0|0,0,1]=4 38446 B12R1.271 C=CCCCCOC[C@H]1C[C@H]1F 510cb166e30ddbcbfda447a4703c3d12 [0,2,0,1,0,0|0,0,1]=4 38447 B12R1.271 C=CCOCCOCC1CC1C d6432097f69eb7e1e060c80b86b312b8 [0,2,0,1,0,0|0,0,1]=4 38448 B12R1.271 C=CCOCCOC[C@@H]1C[C@@H]1C 68542683db9d91531ad670be0d62b4d3 [0,2,0,1,0,0|0,0,1]=4 38449 B12R1.271 C=CCOCCOC[C@@H]1C[C@H]1C 86321fb581151549181b33461c9ded92 [0,2,0,1,0,0|0,0,1]=4 38450 B12R1.271 C=CCOCCOC[C@H]1C[C@@H]1C 78d886e6f1bab802129085be0e4fa35a [0,2,0,1,0,0|0,0,1]=4 38451 B12R1.271 CC/C=C\CCOCC1CC1C e335a6508b1ad1959ae41e0d6b295cf8 [0,2,0,1,0,0|0,0,0]=3 38452 B12R1.271 CC/C=C\CCOC[C@@H]1C[C@@H]1C 6d4f9c0de2c74dba23e1533f9c62da65 [0,2,0,1,0,0|0,0,0]=3 38453 B12R1.271 CC/C=C\CCOC[C@@H]1C[C@@H]1F 7b7a5099298cec9878a911d8336335ba [0,2,0,1,0,0|0,0,1]=4 38454 B12R1.271 CC/C=C\CCOC[C@@H]1C[C@H]1C c7d9685b17f3ef06a5708bb0a56fe53c [0,2,0,1,0,0|0,0,0]=3 38455 B12R1.271 CC/C=C\CCOC[C@@H]1C[C@H]1F 8ccb808d8c3c70445f67f5d497eaffdc [0,2,0,1,0,0|0,0,1]=4 38456 B12R1.271 CC/C=C\CCOC[C@H]1C[C@@H]1C d7e359e0d32d40cdce54fb37dce53d07 [0,2,0,1,0,0|0,0,0]=3 38457 B12R1.271 CC/C=C\CCOC[C@H]1C[C@@H]1F 10c89492221bbf617d4dc5714d3d2f9c [0,2,0,1,0,0|0,0,1]=4 38458 B12R1.271 CC/C=C\CCOC[C@H]1C[C@H]1F 089b737c4a4a4e4872a2de3df282ce25 [0,2,0,1,0,0|0,0,1]=4 38459 B12R1.271 CC1CC1COCCCCC#N 7adc3f60f5f8ea5885198d803df5a32f [0,2,0,1,0,0|0,0,0]=3 38460 B12R1.271 CC1CC1COCCCCC=O 7b49ac09b5040ee7d1d53bafd81a5a6d [0,2,0,1,0,0|0,0,0]=3 38461 B12R1.271 CC1CC1COCCCCCF e576f86af2d9ae0f8114758df36e492e [0,2,0,1,0,0|0,0,0]=3 38462 B12R1.271 CC1CC1COCCOCC#N a2c4803d5a5183ad63d79d7303f366de [0,2,0,1,0,0|0,0,1]=4 38463 B12R1.271 CC1CC1COCCOCC=O 028111a6bbbfff3654c757c895349f9c [0,2,0,1,0,0|0,0,1]=4 38464 B12R1.271 CC1CC1NCCCCCC#N 7a3a045ecf8b2204023bac66ab718d89 [0,2,0,1,0,0|1,0,0]=4 38465 B12R1.271 CC1CC1NCCCCCC=O 235553ec2b76080130e5ee883c7dc62f [0,2,0,1,0,0|1,0,0]=4 38466 B12R1.271 CC1CC1NCCCCCCF 5d4ec6bd4e949dcea26c30636ea6fd00 [0,2,0,1,0,0|1,0,0]=4 38467 B12R1.271 CC1CC1NCCCCCCO 9ca55ff423135930d30db5a4a59b327a [0,2,0,1,0,0|1,0,0]=4 38468 B12R1.271 CCC/C=C/COCC1CC1C 722c5108342b35453be440dc5e23246e [0,2,0,1,0,0|0,0,0]=3 38469 B12R1.271 CCC/C=C/COC[C@@H]1C[C@@H]1C b94b09c5edd498042cc6e63b56a067ba [0,2,0,1,0,0|0,0,0]=3 38470 B12R1.271 CCC/C=C/COC[C@@H]1C[C@@H]1F 42a6c646c547ac3a385c35ed9fbdf677 [0,2,0,1,0,0|0,0,1]=4 38471 B12R1.271 CCC/C=C/COC[C@@H]1C[C@H]1C 821de6239733279fca1985161f4a5219 [0,2,0,1,0,0|0,0,0]=3 38472 B12R1.271 CCC/C=C/COC[C@@H]1C[C@H]1F 0a6cf9b451b95d9067d32684ab684cc0 [0,2,0,1,0,0|0,0,1]=4 38473 B12R1.271 CCC/C=C/COC[C@H]1C[C@@H]1C 96800e931cdce61e69363e52f669b9b2 [0,2,0,1,0,0|0,0,0]=3 38474 B12R1.271 CCC/C=C/COC[C@H]1C[C@@H]1F cd7febc3eff20f0ba86b52ac87cc491b [0,2,0,1,0,0|0,0,1]=4 38475 B12R1.271 CCC/C=C/COC[C@H]1C[C@H]1F f2a8d9290d8ac83f812b34425285c577 [0,2,0,1,0,0|0,0,1]=4 38476 B12R1.271 CCC/C=C\COCC1CC1C 594ec41a7861f1a356acee17086e72c7 [0,2,0,1,0,0|0,0,0]=3 38477 B12R1.271 CCC/C=C\COC[C@@H]1C[C@@H]1C d46207914bf6dcbd0e8e460fb1586655 [0,2,0,1,0,0|0,0,0]=3 38478 B12R1.271 CCC/C=C\COC[C@@H]1C[C@@H]1F a0347ee7628ada710104cc61cd9c4e65 [0,2,0,1,0,0|0,0,1]=4 38479 B12R1.271 CCC/C=C\COC[C@@H]1C[C@H]1C d7d18ce9c972a6f612a9d88e86c855ed [0,2,0,1,0,0|0,0,0]=3 38480 B12R1.271 CCC/C=C\COC[C@@H]1C[C@H]1F 24ad0058bb864df59482e2aafa4d4569 [0,2,0,1,0,0|0,0,1]=4 38481 B12R1.271 CCC/C=C\COC[C@H]1C[C@@H]1C 4e7c9e769b1ca71d5eb560ba6dfebc34 [0,2,0,1,0,0|0,0,0]=3 38482 B12R1.271 CCC/C=C\COC[C@H]1C[C@@H]1F 3da15ac90c11c146b210d296e47028d6 [0,2,0,1,0,0|0,0,1]=4 38483 B12R1.271 CCC/C=C\COC[C@H]1C[C@H]1F 08b7492c7754b792dee8f7445cd2c7f1 [0,2,0,1,0,0|0,0,1]=4 38484 B12R1.271 CCCC/C=C/CNC1CC1C 4aa97bbbbad5a871101cd72505444351 [0,2,0,1,0,0|1,0,0]=4 38485 B12R1.271 CCCC/C=C\CNC1CC1C f8489f7ea26511831025dfff0410164f [0,2,0,1,0,0|1,0,0]=4 38486 B12R1.271 CCCCCCCNC1CC1C 83ba7726aaf65dccb1e638608e6cbbde [0,2,0,1,0,0|1,0,0]=4 38487 B12R1.271 CCCCCCCN[C@@H]1C[C@H]1F c6a1d2eb38d634003910546c6c9d0e96 [0,2,0,1,0,0|1,0,0]=4 38488 B12R1.271 CCCCCCCN[C@H]1C[C@@H]1F 7a1e141de7ce1560b544691a92869d5b [0,2,0,1,0,0|1,0,0]=4 38489 B12R1.271 CCCCCCCN[C@H]1C[C@H]1F fc05609951259c0557cf128cc695a9ee [0,2,0,1,0,0|1,0,0]=4 38490 B12R1.271 CCCCCCOCC1CC1C 1dd05a60b90fbc05082ec82f76c55286 [0,2,0,1,0,0|0,0,0]=3 38491 B12R1.271 CCCCCCOC[C@@H]1C[C@@H]1C 0961a3fa6327d1ed3cafbe11e4ef32fd [0,2,0,1,0,0|0,0,0]=3 38492 B12R1.271 CCCCCCOC[C@@H]1C[C@@H]1F 360e132742acc63972118c8adbaa30c6 [0,2,0,1,0,0|0,0,0]=3 38493 B12R1.271 CCCCCCOC[C@@H]1C[C@H]1C d7a8d4023ea20eb6f1b756d09813caa9 [0,2,0,1,0,0|0,0,0]=3 38494 B12R1.271 CCCCCCOC[C@@H]1C[C@H]1F 2dd0dd89d1ff11751ce8b8c33f61957a [0,2,0,1,0,0|0,0,0]=3 38495 B12R1.271 CCCCCCOC[C@H]1C[C@@H]1C 9c057e15d2d44d96f5cc72efdb1817d8 [0,2,0,1,0,0|0,0,0]=3 38496 B12R1.271 CCCCCCOC[C@H]1C[C@@H]1F 8fa73622f13e4322aec4bd0f85118cf4 [0,2,0,1,0,0|0,0,0]=3 38497 B12R1.271 CCCCCCOC[C@H]1C[C@H]1F 2d989aa5da9935fa9757f0b3ef39e506 [0,2,0,1,0,0|0,0,0]=3 38498 B12R1.271 CCCCOCCNC1CC1C b1565a85cba006fd6590792b12f9be83 [0,2,0,1,0,0|0,0,0]=3 38499 B12R1.271 CCCCOCCN[C@@H]1C[C@H]1F 50c29c17f8b6051436a253f43bee1962 [0,2,0,1,0,0|0,0,0]=3 38500 B12R1.271 CCCCOCCN[C@H]1C[C@@H]1F 711c2847bb4a6722d1511970751b9e81 [0,2,0,1,0,0|0,0,0]=3 38501 B12R1.271 CCCCOCCN[C@H]1C[C@H]1F 1e5ca5173a487db4dbd1049a588d7419 [0,2,0,1,0,0|0,0,0]=3 38502 B12R1.271 CCCCOCOCC1CC1C e72c04524a3190d03bbaa6be79e6c9a2 [0,2,0,1,0,0|0,0,0]=3 38503 B12R1.271 CCCCOCOC[C@@H]1C[C@@H]1C 73dd02611d7c1580eb8357f11ede4442 [0,2,0,1,0,0|0,0,0]=3 38504 B12R1.271 CCCCOCOC[C@@H]1C[C@@H]1F 1011cf019216df01b7c4800215a1bdf6 [0,2,0,1,0,0|0,0,0]=3 38505 B12R1.271 CCCCOCOC[C@@H]1C[C@H]1C 789c65a2d646e57b73f35cae295fce2a [0,2,0,1,0,0|0,0,0]=3 38506 B12R1.271 CCCCOCOC[C@@H]1C[C@H]1F 01c265cf27f9d5ebdeaea7e4a108c3b0 [0,2,0,1,0,0|0,0,0]=3 38507 B12R1.271 CCCCOCOC[C@H]1C[C@@H]1C e361b85e2a681c1ff1c7bd5bb4c1c699 [0,2,0,1,0,0|0,0,0]=3 38508 B12R1.271 CCCCOCOC[C@H]1C[C@@H]1F 19a442a16f995f793ef47958546afaf1 [0,2,0,1,0,0|0,0,0]=3 38509 B12R1.271 CCCCOCOC[C@H]1C[C@H]1F 8b8918576b28967f41b076d9b4354f8f [0,2,0,1,0,0|0,0,0]=3 38510 B12R1.271 CCCOCCCNC1CC1C 2488fdb76d46c61648996d31113e6e6b [0,2,0,1,0,0|1,0,0]=4 38511 B12R1.271 CCCOCCOCC1CC1C 4e440fbe4d02112cd52852e68d7a641f [0,2,0,1,0,0|0,0,0]=3 38512 B12R1.271 CCCOCCOC[C@@H]1C[C@@H]1C b350fa6419e7077635418d390487a6c5 [0,2,0,1,0,0|0,0,0]=3 38513 B12R1.271 CCCOCCOC[C@@H]1C[C@@H]1F eed82053ff988fb4a9ea1bfd8f2ade44 [0,2,0,1,0,0|0,0,0]=3 38514 B12R1.271 CCCOCCOC[C@@H]1C[C@H]1C 3297c764423e2f3eefc3cc614e3002f9 [0,2,0,1,0,0|0,0,0]=3 38515 B12R1.271 CCCOCCOC[C@@H]1C[C@H]1F ebe8498fd1d22dbf44d94e582f6fa080 [0,2,0,1,0,0|0,0,0]=3 38516 B12R1.271 CCCOCCOC[C@H]1C[C@@H]1C 591534b7ea41fcd979fdaf55add70beb [0,2,0,1,0,0|0,0,0]=3 38517 B12R1.271 CCCOCCOC[C@H]1C[C@@H]1F 8fa0b66c86a9146e89e1ffcb62124797 [0,2,0,1,0,0|0,0,0]=3 38518 B12R1.271 CCCOCCOC[C@H]1C[C@H]1F 2277f601dc9c4e5e324001d03d131070 [0,2,0,1,0,0|0,0,0]=3 38519 B12R1.271 CCOCCCOCC1CC1C 76fb692ead8ddd890b31c2a4656da93e [0,2,0,1,0,0|0,0,0]=3 38520 B12R1.271 CCOCCCOC[C@@H]1C[C@@H]1C ad33c8cad1b28ad4328325bc1539fd94 [0,2,0,1,0,0|0,0,0]=3 38521 B12R1.271 CCOCCCOC[C@@H]1C[C@@H]1F 2748f414d206456eb53686f9528a4ee0 [0,2,0,1,0,0|0,0,0]=3 38522 B12R1.271 CCOCCCOC[C@@H]1C[C@H]1C 65c8cf78bbb761744dd8572d2a75632a [0,2,0,1,0,0|0,0,0]=3 38523 B12R1.271 CCOCCCOC[C@@H]1C[C@H]1F b5987df32f96e44d0378e7c590d792c1 [0,2,0,1,0,0|0,0,0]=3 38524 B12R1.271 CCOCCCOC[C@H]1C[C@@H]1C bde691ae2438a4f70673eef86a4a7893 [0,2,0,1,0,0|0,0,0]=3 38525 B12R1.271 CCOCCCOC[C@H]1C[C@@H]1F 99fbde9e16ee4e7c7a89cbd9d6aff1af [0,2,0,1,0,0|0,0,0]=3 38526 B12R1.271 CCOCCCOC[C@H]1C[C@H]1F b1cdaed6746dd5eb3a3869885c46c478 [0,2,0,1,0,0|0,0,0]=3 38527 B12R1.271 CCSCCCOCC1CC1C 1406dbbef0785d75d44b2b6a7d9eff31 [0,2,0,1,0,0|0,0,0]=3 38528 B12R1.271 CCSCCCOC[C@@H]1C[C@@H]1C 009077e6ce84b73ff8c19ea0b8a8a635 [0,2,0,1,0,0|0,0,0]=3 38529 B12R1.271 CCSCCCOC[C@@H]1C[C@@H]1F 8aaf79101a93cb4527cab4fb9d9ec32c [0,2,0,1,0,0|0,0,0]=3 38530 B12R1.271 CCSCCCOC[C@@H]1C[C@H]1C fb8ed1c24eb394176e17b9aa67b3464d [0,2,0,1,0,0|0,0,0]=3 38531 B12R1.271 CCSCCCOC[C@@H]1C[C@H]1F fabe84cf0718491b458145d262fd8cab [0,2,0,1,0,0|0,0,0]=3 38532 B12R1.271 CCSCCCOC[C@H]1C[C@@H]1C d45de04c73ef6e92a88ed753155faa35 [0,2,0,1,0,0|0,0,0]=3 38533 B12R1.271 CCSCCCOC[C@H]1C[C@@H]1F 5ae557c0c16bf305bf1286393d91de75 [0,2,0,1,0,0|0,0,0]=3 38534 B12R1.271 CCSCCCOC[C@H]1C[C@H]1F bf25ee4daacf60e177402e8c34508518 [0,2,0,1,0,0|0,0,0]=3 38535 B12R1.271 COCC#CCOCC1CC1C d90468398483a18f14a17a957ffbcc66 [0,2,0,1,0,0|0,0,1]=4 38536 B12R1.271 COCC#CCOC[C@@H]1C[C@@H]1C 00d7b7500f5783ad54262ee50c646195 [0,2,0,1,0,0|0,0,1]=4 38537 B12R1.271 COCC#CCOC[C@@H]1C[C@H]1C 5fe31cd21207f5557e7f736f3aa0b692 [0,2,0,1,0,0|0,0,1]=4 38538 B12R1.271 COCC#CCOC[C@H]1C[C@@H]1C 25b84096e5ab98d77f78e9bd1799a2cf [0,2,0,1,0,0|0,0,1]=4 38539 B12R1.271 COCCCCCNC1CC1C af9e434f2a8d11d0e4d7f1fb18e5c48d [0,2,0,1,0,0|1,0,0]=4 38540 B12R1.271 COCCCCOCC1CC1C fc440a4cdb39375bc72be01d27ae7b04 [0,2,0,1,0,0|0,0,0]=3 38541 B12R1.271 COCCCCOC[C@@H]1C[C@@H]1C 5741453cbaa5f02e9317bb2d35a48423 [0,2,0,1,0,0|0,0,0]=3 38542 B12R1.271 COCCCCOC[C@@H]1C[C@@H]1F eb2471899c76f7808ef3f995944aa5b0 [0,2,0,1,0,0|0,0,0]=3 38543 B12R1.271 COCCCCOC[C@@H]1C[C@H]1C 130463d7fca5b78170d5ceee6b567b84 [0,2,0,1,0,0|0,0,0]=3 38544 B12R1.271 COCCCCOC[C@@H]1C[C@H]1F 50314795499f99d02ed444093171dbbe [0,2,0,1,0,0|0,0,0]=3 38545 B12R1.271 COCCCCOC[C@H]1C[C@@H]1C 7380ccf8299ebb7dfaff9c4329bf3a62 [0,2,0,1,0,0|0,0,0]=3 38546 B12R1.271 COCCCCOC[C@H]1C[C@@H]1F a2d458182e06342a19cc60107e491c4c [0,2,0,1,0,0|0,0,0]=3 38547 B12R1.271 COCCCCOC[C@H]1C[C@H]1F ad63d62bd400b78cab3eaa769134c465 [0,2,0,1,0,0|0,0,0]=3 38548 B12R1.271 COCCOCCNC1CC1C 749cdd526b59bc961c11c506b77d6b05 [0,2,0,1,0,0|1,0,0]=4 38549 B12R1.271 COCCOCCN[C@@H]1C[C@H]1F 969ec750786d98d03435d795c464cbd5 [0,2,0,1,0,0|1,0,0]=4 38550 B12R1.271 COCCOCCN[C@H]1C[C@@H]1F 9d303a7cd992e0506c80b0ed15a76fec [0,2,0,1,0,0|1,0,0]=4 38551 B12R1.271 COCCOCCN[C@H]1C[C@H]1F 40cc02310ae508056777f68c5dcc99fa [0,2,0,1,0,0|1,0,0]=4 38552 B12R1.271 COCCOCOCC1CC1C 0607a46c4a5388839f55fb113b897eff [0,2,0,1,0,0|0,0,0]=3 38553 B12R1.271 COCCOCOC[C@@H]1C[C@@H]1C 468f799e0100d70b6d4d14d8e53e597b [0,2,0,1,0,0|0,0,0]=3 38554 B12R1.271 COCCOCOC[C@@H]1C[C@@H]1F a14577915b500ddae53116d16a804f7a [0,2,0,1,0,0|1,0,0]=4 38555 B12R1.271 COCCOCOC[C@@H]1C[C@H]1C 2cb263624aabbad3e6ce094ac21b8a5d [0,2,0,1,0,0|0,0,0]=3 38556 B12R1.271 COCCOCOC[C@@H]1C[C@H]1F 517e4ab34e62d6b40fe2ef98afb50354 [0,2,0,1,0,0|1,0,0]=4 38557 B12R1.271 COCCOCOC[C@H]1C[C@@H]1C 0bc60c45c8a77384a04e6ce280e90fdc [0,2,0,1,0,0|0,0,0]=3 38558 B12R1.271 COCCOCOC[C@H]1C[C@@H]1F 5199a15e113280e735de86c83d49f9cb [0,2,0,1,0,0|1,0,0]=4 38559 B12R1.271 COCCOCOC[C@H]1C[C@H]1F 8502bc7c1022ec4ff4b05832c5bc4dda [0,2,0,1,0,0|1,0,0]=4 38560 B12R1.271 COCOCCOCC1CC1C 524e3a4dac802a85e4edfbd37307c8c3 [0,2,0,1,0,0|0,0,0]=3 38561 B12R1.271 COCOCCOC[C@@H]1C[C@@H]1C 79fa0cf97fb1099007e4ab69d14c18d2 [0,2,0,1,0,0|0,0,0]=3 38562 B12R1.271 COCOCCOC[C@@H]1C[C@@H]1F 027cad84ae49923f0d0d089003e4c56a [0,2,0,1,0,0|1,0,0]=4 38563 B12R1.271 COCOCCOC[C@@H]1C[C@H]1C a6aba26459fb69ac8305599967cc1f2d [0,2,0,1,0,0|0,0,0]=3 38564 B12R1.271 COCOCCOC[C@@H]1C[C@H]1F 748551ef5f7766328bfa81f98e630b99 [0,2,0,1,0,0|1,0,0]=4 38565 B12R1.271 COCOCCOC[C@H]1C[C@@H]1C 9bad8dcf15e64385cc03b2651d68ce03 [0,2,0,1,0,0|0,0,0]=3 38566 B12R1.271 COCOCCOC[C@H]1C[C@@H]1F 98f379844bdcf4452421e6ff370cebca [0,2,0,1,0,0|1,0,0]=4 38567 B12R1.271 COCOCCOC[C@H]1C[C@H]1F dde713414aed9264c0ab9bb923a7bccd [0,2,0,1,0,0|1,0,0]=4 38568 B12R1.271 C[C@@H]1C[C@H]1COCCCCC#N 0a6cc6bed386014f7e54cf79010ceec2 [0,2,0,1,0,0|0,0,0]=3 38569 B12R1.271 C[C@@H]1C[C@H]1COCCCCC=O 1c7d3d070d00b3013c868531352e5f3e [0,2,0,1,0,0|0,0,0]=3 38570 B12R1.271 C[C@@H]1C[C@H]1COCCCCCF 9a225f3e01910551247d14a160e52609 [0,2,0,1,0,0|0,0,0]=3 38571 B12R1.271 C[C@@H]1C[C@H]1COCCOCC#N 3653fb8e74386672326cf14f2f6e4b8b [0,2,0,1,0,0|0,0,1]=4 38572 B12R1.271 C[C@@H]1C[C@H]1COCCOCC=O 7b8be54b370dd6a953fb347eeeb393ff [0,2,0,1,0,0|0,0,1]=4 38573 B12R1.271 C[C@H]1C[C@@H]1COCCCCC#N f9aadd33afe74ca150231a3c9eefe504 [0,2,0,1,0,0|0,0,0]=3 38574 B12R1.271 C[C@H]1C[C@@H]1COCCCCC=O c58abf7c833f43fbb15b8d9e2643d941 [0,2,0,1,0,0|0,0,0]=3 38575 B12R1.271 C[C@H]1C[C@@H]1COCCCCCF b2a9cc09b24927867680a6cd5758c59b [0,2,0,1,0,0|0,0,0]=3 38576 B12R1.271 C[C@H]1C[C@@H]1COCCOCC#N 4ee250f39a2a55c05e8d0c07776a34fd [0,2,0,1,0,0|0,0,1]=4 38577 B12R1.271 C[C@H]1C[C@@H]1COCCOCC=O 1c30b4a52404e4b6a6a77c6afba55d25 [0,2,0,1,0,0|0,0,1]=4 38578 B12R1.271 C[C@H]1C[C@H]1COCCCCC#N d9bf06117b93050bcfb834eb4d1bbedc [0,2,0,1,0,0|0,0,0]=3 38579 B12R1.271 C[C@H]1C[C@H]1COCCCCC=O 36ed8b33aa9e4b7f315190291a049987 [0,2,0,1,0,0|0,0,0]=3 38580 B12R1.271 C[C@H]1C[C@H]1COCCCCCF 68c4684b3bda17ebc9ee304ece3dd389 [0,2,0,1,0,0|0,0,0]=3 38581 B12R1.271 C[C@H]1C[C@H]1COCCOCC#N 944865d9975b31dca74e967308cba277 [0,2,0,1,0,0|0,0,1]=4 38582 B12R1.271 C[C@H]1C[C@H]1COCCOCC=O 65c7f589d1f4974fb50bb491dd0500ba [0,2,0,1,0,0|0,0,1]=4 38583 B12R1.271 FCCCCCOC[C@@H]1C[C@@H]1F a1a7fb76edaaa507218efd2a788bdfa2 [0,2,0,1,0,0|0,0,0]=3 38584 B12R1.271 FCCCCCOC[C@@H]1C[C@H]1F 24247ce836c2c85a2c63542b5d37b1a2 [0,2,0,1,0,0|0,0,0]=3 38585 B12R1.271 FCCCCCOC[C@H]1C[C@@H]1F 068e40725b6530e52a3db8a8146b5e14 [0,2,0,1,0,0|0,0,0]=3 38586 B12R1.271 FCCCCCOC[C@H]1C[C@H]1F b911445a4a2653c686379efb32ee4449 [0,2,0,1,0,0|0,0,0]=3 38587 B12R1.271 N#CCCCCOC[C@@H]1C[C@@H]1F 449df57abb74cbcd7d5d7745dd53ad37 [0,2,0,1,0,0|0,0,1]=4 38588 B12R1.271 N#CCCCCOC[C@@H]1C[C@H]1F abc43e3d3602470a6f4eed3b1eb36f3b [0,2,0,1,0,0|0,0,1]=4 38589 B12R1.271 N#CCCCCOC[C@H]1C[C@@H]1F b61442d4a718ef7ba0d11cdb17cf7342 [0,2,0,1,0,0|0,0,1]=4 38590 B12R1.271 N#CCCCCOC[C@H]1C[C@H]1F d31ecb484633175af96214564e5f6a2a [0,2,0,1,0,0|0,0,1]=4 38591 B12R1.271 O=CCCCCOC[C@@H]1C[C@@H]1F b2b2446d32a52753e169727365306099 [0,2,0,1,0,0|0,0,1]=4 38592 B12R1.271 O=CCCCCOC[C@@H]1C[C@H]1F e4584779107ca7f9fbf0f15379ea53f3 [0,2,0,1,0,0|0,0,1]=4 38593 B12R1.271 O=CCCCCOC[C@H]1C[C@@H]1F 62de95e1e21ee73115280835c0d89ca9 [0,2,0,1,0,0|0,0,1]=4 38594 B12R1.271 O=CCCCCOC[C@H]1C[C@H]1F 7facde9a30aa0ea4171dbca62491f113 [0,2,0,1,0,0|0,0,1]=4 38595 B12R1.272 C#CCCCCCNC1CCC1 eefd9aa865e90036e13508f255101556 [0,2,0,1,0,0|1,0,0]=4 38596 B12R1.272 C#CCCCCCOC1CCC1 3a42bb97da35ab20222c772b06de75c7 [0,2,0,1,0,0|0,0,0]=3 38597 B12R1.272 C#CCCCCCOC1COC1 8802320f9e9e05c7a2e39dd8ae9bcbb6 [0,2,0,1,0,0|1,0,0]=4 38598 B12R1.272 C#CCCCCCOC1CSC1 5ee1b9096676ae828b3a0865c09f76bd [0,2,0,1,0,0|1,0,0]=4 38599 B12R1.272 C#CCCCCNCC1CCC1 caff82fc16eb6a4150fa666f7aea9b7f [0,2,0,1,0,0|1,0,0]=4 38600 B12R1.272 C#CCCCCOCC1CCC1 caf81ecebf5b23a5d2a4361cd3db6ef1 [0,2,0,1,0,0|0,0,0]=3 38601 B12R1.272 C#CCCCCOCC1CCO1 18ae7a3a5a8981eb6a09551a81e3d8d2 [0,2,0,1,0,0|0,0,1]=4 38602 B12R1.272 C#CCCCCOCC1COC1 adf15e3c11959a574bd5640fe31e5b8c [0,2,0,1,0,0|0,0,1]=4 38603 B12R1.272 C#CCCCCOCC1CSC1 90ccea17e0eaee273610b608571dcc31 [0,2,0,1,0,0|0,0,1]=4 38604 B12R1.272 C#CCCCCOC[C@@H]1CCO1 3b8b20f6bfd98a8ae009c8c8eec1b982 [0,2,0,1,0,0|0,0,1]=4 38605 B12R1.272 C#CCCCCOC[C@H]1CCO1 8f6e4e6504ec095112dcfce2be78b9f4 [0,2,0,1,0,0|0,0,1]=4 38606 B12R1.272 C#CCCCOCCC1CCC1 1408cb024fa1c599b182c2a8428ff423 [0,2,0,1,0,0|0,0,1]=4 38607 B12R1.272 C#CCCCOCCC1CCO1 a2570bec9c996ddcae400076cf8e28d1 [0,2,0,1,0,0|0,0,1]=4 38608 B12R1.272 C#CCCCOCCC1COC1 8597b7ee9bb5d895b02ce3775473e973 [0,2,0,1,0,0|0,0,1]=4 38609 B12R1.272 C#CCCCOCCN1CCC1 cb9a6016f29f5a988a90ece7bf3bc770 [0,2,0,1,0,0|0,0,1]=4 38610 B12R1.272 C#CCCCOCC[C@@H]1CCO1 d0611c0bb8c8dca13a803ca4976a493c [0,2,0,1,0,0|0,0,1]=4 38611 B12R1.272 C#CCCCOCC[C@H]1CCO1 759dd5812022684000e1e5565ab747e8 [0,2,0,1,0,0|0,0,1]=4 38612 B12R1.272 C#CCCNCCOC1CCC1 3c6634d99b47390858c939bd5d6a4774 [0,2,0,1,0,0|0,0,1]=4 38613 B12R1.272 C#CCCOCCOC1CCC1 92168b98f6680457cec12ec1499f55e4 [0,2,0,1,0,0|0,0,1]=4 38614 B12R1.272 C#CCOCCCOC1CCC1 238d6adf23f1cb02331461fcbafd34da [0,2,0,1,0,0|0,0,1]=4 38615 B12R1.272 C#CCOCCOCC1CCC1 9a64efa89977c57a54b2ead1112b91f1 [0,2,0,1,0,0|0,0,1]=4 38616 B12R1.272 C/C=C/CCCOCC1CCC1 416a3b91a664a358a25ac321decab83f [0,2,0,1,0,0|0,0,0]=3 38617 B12R1.272 C/C=C/CCCOCC1CCO1 42fe0c4349a88f80fe87260449d2d650 [0,2,0,1,0,0|0,0,1]=4 38618 B12R1.272 C/C=C/CCCOCC1COC1 13aa15d62b3fb997c8b130b9f7c9834a [0,2,0,1,0,0|0,0,1]=4 38619 B12R1.272 C/C=C/CCCOC[C@@H]1CCO1 c49d905145070277eaa450d879aa0fae [0,2,0,1,0,0|0,0,1]=4 38620 B12R1.272 C/C=C/CCCOC[C@H]1CCO1 2d88d9d10571ee2c3d7b105f09fe75e6 [0,2,0,1,0,0|0,0,1]=4 38621 B12R1.272 C/C=C/CCOCCC1CCC1 2afe4ea853e2c3f16919a0f4089fa1c4 [0,2,0,1,0,0|0,0,1]=4 38622 B12R1.272 C/C=C/CCOCCC1CCO1 d6c1615caefac0eca7f288decef034ab [0,2,0,1,0,0|0,0,1]=4 38623 B12R1.272 C/C=C/CCOCCC1COC1 fd6a28cd066742dab200ec80f4fa8c9d [0,2,0,1,0,0|0,0,1]=4 38624 B12R1.272 C/C=C/COCCOC1CCC1 1590668b9ebfb0b0ee3a449f69db3636 [0,2,0,1,0,0|0,0,1]=4 38625 B12R1.272 C/C=C\CCCNCC1CCC1 a5fae9559bda8dbb7e890234a9da01ee [0,2,0,1,0,0|1,0,0]=4 38626 B12R1.272 C/C=C\CCCOCC1CCC1 ab9268554e7c4020b0463ac8069c4621 [0,2,0,1,0,0|0,0,0]=3 38627 B12R1.272 C/C=C\CCCOCC1CCO1 17caa0e623ef44b2e7dd3f51b348d2a9 [0,2,0,1,0,0|0,0,1]=4 38628 B12R1.272 C/C=C\CCCOCC1COC1 01d12aa6fa6cfc028add3b9e47cc56e5 [0,2,0,1,0,0|0,0,1]=4 38629 B12R1.272 C/C=C\CCCOCC1CSC1 b16876a2f0079036a962f7286be2b7bc [0,2,0,1,0,0|0,0,1]=4 38630 B12R1.272 C/C=C\CCCOC[C@@H]1CCO1 f2d07d8a292306dff3c19f08e792bcd6 [0,2,0,1,0,0|0,0,1]=4 38631 B12R1.272 C/C=C\CCCOC[C@H]1CCO1 3b570be18413fa452b47e83657a45762 [0,2,0,1,0,0|0,0,1]=4 38632 B12R1.272 C/C=C\COCCOC1CCC1 b6087ade80714d7d6e4aa7f6719efc2a [0,2,0,1,0,0|0,0,1]=4 38633 B12R1.272 C=CCCCCCNC1CCC1 e9d1378d1659f628ea509cf77c66e0ec [0,2,0,1,0,0|1,0,0]=4 38634 B12R1.272 C=CCCCCCOC1CCC1 72fac868e7cac74b1406f802030b8942 [0,2,0,1,0,0|0,0,0]=3 38635 B12R1.272 C=CCCCCCOC1COC1 032c0a28d1319629782a000254355b8e [0,2,0,1,0,0|1,0,0]=4 38636 B12R1.272 C=CCCCCCOC1CSC1 76ec5a443e94ba6a5214ddbfd2967775 [0,2,0,1,0,0|1,0,0]=4 38637 B12R1.272 C=CCCCCNCC1CCC1 a08957e93c703afa5009a623817b8faa [0,2,0,1,0,0|1,0,0]=4 38638 B12R1.272 C=CCCCCOCC1CCC1 69c54dbe44cd01aef76b1f3bb7bb6cf8 [0,2,0,1,0,0|0,0,0]=3 38639 B12R1.272 C=CCCCCOCC1CCO1 dd0f9fa8592c983c1481fe3f2e96733e [0,2,0,1,0,0|0,0,1]=4 38640 B12R1.272 C=CCCCCOCC1COC1 d56daf443dc9c2807fdb9a74e5087701 [0,2,0,1,0,0|0,0,1]=4 38641 B12R1.272 C=CCCCCOCC1CSC1 8c07e92cf381631777ed230976dc257a [0,2,0,1,0,0|0,0,1]=4 38642 B12R1.272 C=CCCCCOC[C@@H]1CCO1 c183602faf5c3b9d2aa6fd8756181e8a [0,2,0,1,0,0|0,0,1]=4 38643 B12R1.272 C=CCCCCOC[C@H]1CCO1 097ce0cffb49feb447aa4f1632cffaf0 [0,2,0,1,0,0|0,0,1]=4 38644 B12R1.272 C=CCCCOCCC1CCC1 6903aa76560c4efbdaafceff510b17ee [0,2,0,1,0,0|0,0,1]=4 38645 B12R1.272 C=CCCCOCCC1CCO1 4c3b260b22f6d0f5c7aaf664258b9cf0 [0,2,0,1,0,0|0,0,1]=4 38646 B12R1.272 C=CCCCOCCC1COC1 0ace4ec9e3ddcd513b3b5a4ad8efa2ce [0,2,0,1,0,0|0,0,1]=4 38647 B12R1.272 C=CCCCOCCN1CCC1 9593e58d384260e7b12ef2099aae93c0 [0,2,0,1,0,0|0,0,1]=4 38648 B12R1.272 C=CCCCOCC[C@@H]1CCO1 0d0aabb299915cdaa855a3b09db91625 [0,2,0,1,0,0|0,0,1]=4 38649 B12R1.272 C=CCCCOCC[C@H]1CCO1 6e3e63bb0d99ab45acb958324e25bc4c [0,2,0,1,0,0|0,0,1]=4 38650 B12R1.272 C=CCCNCCOC1CCC1 b72e41c84f7f8051729b00e5f97b8fec [0,2,0,1,0,0|0,0,1]=4 38651 B12R1.272 C=CCCOCCOC1CCC1 2a15b075d6bf673dbe5a28791278eda6 [0,2,0,1,0,0|0,0,1]=4 38652 B12R1.272 C=CCOCCOCC1CCC1 c3f729f22a74ede3eb2b491dd7518991 [0,2,0,1,0,0|0,0,1]=4 38653 B12R1.272 C=COCCCCOC1CCC1 feb0a79b3b727a2e85ef1dc9686bec70 [0,2,0,1,0,0|0,0,1]=4 38654 B12R1.272 CC#CCCCNCC1CCC1 d4ec40fab229fb4ec9dfae4c0b618efd [0,2,0,1,0,0|1,0,0]=4 38655 B12R1.272 CC#CCCCOCC1CCC1 dba0bc7a2d32f67464407ab7dfea4521 [0,2,0,1,0,0|0,0,0]=3 38656 B12R1.272 CC#CCCCOCC1CCO1 11fdb001c58b8e44fd7d290705ef000b [0,2,0,1,0,0|0,0,1]=4 38657 B12R1.272 CC#CCCCOCC1COC1 7b77b5ad627b34bc128bb966e7048b5a [0,2,0,1,0,0|0,0,1]=4 38658 B12R1.272 CC#CCCCOC[C@@H]1CCO1 eb6bc8c306c92823f27eb59ac6e263e9 [0,2,0,1,0,0|0,0,1]=4 38659 B12R1.272 CC#CCCCOC[C@H]1CCO1 acccf618548028699d8b5077a70f0d94 [0,2,0,1,0,0|0,0,1]=4 38660 B12R1.272 CC#CCCOCCC1CCC1 b07773eb4eca65569cefad757aee5fa4 [0,2,0,1,0,0|0,0,1]=4 38661 B12R1.272 CC#CCCOCCC1CCO1 d33b115f5b9ae3f26c9d2dc643f378b6 [0,2,0,1,0,0|0,0,1]=4 38662 B12R1.272 CC#CCCOCCC1COC1 3e775890f68b84efabe4f4bb16b26c42 [0,2,0,1,0,0|0,0,1]=4 38663 B12R1.272 CC#CCNCCOC1CCC1 ca39bcbee49edd5db64ea4b23d286945 [0,2,0,1,0,0|0,0,1]=4 38664 B12R1.272 CC#CCOCCOC1CCC1 2629926808c691d1f9ade20d5ea1b2f1 [0,2,0,1,0,0|0,0,1]=4 38665 B12R1.272 CC/C=C/CCOCC1CCC1 fdf8a4aa27d1e6c6521de234bbe3075f [0,2,0,1,0,0|0,0,0]=3 38666 B12R1.272 CC/C=C/CCOCC1CCO1 06f9c5c8f3b9b25de7cd8ecc6143241e [0,2,0,1,0,0|0,0,1]=4 38667 B12R1.272 CC/C=C/CCOCC1COC1 a920ae90e759ddb3cd53d45b21d27f97 [0,2,0,1,0,0|0,0,1]=4 38668 B12R1.272 CC/C=C/CCOC[C@@H]1CCO1 24f357144ee542e215f06be61418035e [0,2,0,1,0,0|0,0,1]=4 38669 B12R1.272 CC/C=C/CCOC[C@H]1CCO1 e82cf79bedcd052732107fc5dbd3e1ca [0,2,0,1,0,0|0,0,1]=4 38670 B12R1.272 CC/C=C/COCCC1CCC1 3eb8c1e8bc47d5e62edfed9d949e2170 [0,2,0,1,0,0|0,0,1]=4 38671 B12R1.272 CC/C=C/COCCC1CCO1 7d7afcfb3127c26277e4229499bd53a6 [0,2,0,1,0,0|0,0,1]=4 38672 B12R1.272 CC/C=C/COCCC1COC1 a1912c15463611744378115474ee741c [0,2,0,1,0,0|0,0,1]=4 38673 B12R1.272 CC/C=C/COCCN1CCC1 70f82ec8ef48d2601d176a36c909f14f [0,2,0,1,0,0|0,0,1]=4 38674 B12R1.272 CC/C=C/COCC[C@@H]1CCO1 aeb459010dda007ad1e107b808fdfa3d [0,2,0,1,0,0|0,0,1]=4 38675 B12R1.272 CC/C=C/COCC[C@H]1CCO1 30d9683dc52926497e96cdea14953d27 [0,2,0,1,0,0|0,0,1]=4 38676 B12R1.272 CC/C=C\CCCOC1CCC1 04818645248df48aea14de639580243d [0,2,0,1,0,0|0,0,0]=3 38677 B12R1.272 CC/C=C\CCCOC1COC1 b20a6d55f57e08bc8b61fcdb0498fcfc [0,2,0,1,0,0|1,0,0]=4 38678 B12R1.272 CC/C=C\CCNCC1CCC1 d1f3e6237d4a55221d06075a1449b5da [0,2,0,1,0,0|1,0,0]=4 38679 B12R1.272 CC/C=C\CCOCC1CCC1 a255c129dfe819aec185d6bf0dadf4b2 [0,2,0,1,0,0|0,0,0]=3 38680 B12R1.272 CC/C=C\CCOCC1CCO1 d72edb3c02467c01b6c84f08945bc4fe [0,2,0,1,0,0|0,0,1]=4 38681 B12R1.272 CC/C=C\CCOCC1COC1 035065423d1d45a345b2e46db79f38b2 [0,2,0,1,0,0|0,0,1]=4 38682 B12R1.272 CC/C=C\CCOCC1CSC1 c1696b424801c57f2ec611c8dbe0ed8d [0,2,0,1,0,0|0,0,1]=4 38683 B12R1.272 CC/C=C\CCOC[C@@H]1CCO1 816b0b353805cac2b24465f6d6c80ffa [0,2,0,1,0,0|0,0,1]=4 38684 B12R1.272 CC/C=C\CCOC[C@H]1CCO1 a74b1357ea077f9723931124392672fb [0,2,0,1,0,0|0,0,1]=4 38685 B12R1.272 CC/C=C\COCCC1CCC1 ad322434b98dec84bf4d30bb6c00ffd2 [0,2,0,1,0,0|0,0,1]=4 38686 B12R1.272 CC/C=C\COCCC1CCO1 1d546c9f713a88255145c39a64ef6c05 [0,2,0,1,0,0|0,0,1]=4 38687 B12R1.272 CC/C=C\COCCC1COC1 6dd00d6a4a2ed7b6b6db1c2a8ce60af5 [0,2,0,1,0,0|0,0,1]=4 38688 B12R1.272 CC=C=CCCOCC1CCC1 a44b47d5fe10368cc6bdafc99c5b9409 [0,2,0,1,0,0|0,0,1]=4 38689 B12R1.272 CC=CCCCOCC1CCC1 71ea7f1dc837c022a84205345a1214e1 [0,2,0,1,0,0|0,0,0]=3 38690 B12R1.272 CC=CCCCOCC1CCO1 00f45d8097cb9ff065f59c0c91474aeb [0,2,0,1,0,0|0,0,1]=4 38691 B12R1.272 CC=CCCCOCC1COC1 a1c0a4357801a4bad805b883086e2b0a [0,2,0,1,0,0|0,0,1]=4 38692 B12R1.272 CC=CCCCOC[C@@H]1CCO1 d55e62aad8d6f547e6bc62e3bbc778e7 [0,2,0,1,0,0|0,0,1]=4 38693 B12R1.272 CC=CCCCOC[C@H]1CCO1 f5b07581fa2342abee2a70568fd8668c [0,2,0,1,0,0|0,0,1]=4 38694 B12R1.272 CC=CCNCCOC1CCC1 8aafeb32117a8fcaf671eba307205046 [0,2,0,1,0,0|0,0,1]=4 38695 B12R1.272 CC=CCOCCOC1CCC1 551cdbc34658c514241cef0dd4fb3ba3 [0,2,0,1,0,0|0,0,1]=4 38696 B12R1.272 CCC#CCCOCC1CCC1 d8c7cc76e7bf986fed0cfcd32b866759 [0,2,0,1,0,0|0,0,0]=3 38697 B12R1.272 CCC#CCCOCC1CCO1 dabaff7618117d32266f0d8796e204e2 [0,2,0,1,0,0|0,0,1]=4 38698 B12R1.272 CCC#CCCOCC1COC1 0e36e06efd3146c51381e8e723d21133 [0,2,0,1,0,0|0,0,1]=4 38699 B12R1.272 CCC#CCCOC[C@@H]1CCO1 c7cd56d5f362598677183e790d75686b [0,2,0,1,0,0|0,0,1]=4 38700 B12R1.272 CCC#CCCOC[C@H]1CCO1 add6f9a0e6a24e0cf9e611ed88cd35df [0,2,0,1,0,0|0,0,1]=4 38701 B12R1.272 CCC#CCOCCC1CCC1 b15840036ab9b2b39aafebcc8ac06cb2 [0,2,0,1,0,0|0,0,1]=4 38702 B12R1.272 CCC#CCOCCC1CCO1 5a316bd2103973bc41b590b07a36246b [0,2,0,1,0,0|0,0,1]=4 38703 B12R1.272 CCC#CCOCCC1COC1 20eb464a080aafe08853328b39c386f7 [0,2,0,1,0,0|0,0,1]=4 38704 B12R1.272 CCC#CCOCCN1CCC1 167905883c980e60cabd786d5f4596f6 [0,2,0,1,0,0|0,0,1]=4 38705 B12R1.272 CCC#CCOCC[C@@H]1CCO1 409059ee100d3545bed501723ed19c3b [0,2,0,1,0,0|0,0,1]=4 38706 B12R1.272 CCC#CCOCC[C@H]1CCO1 c43a9df601740ad2d66cf64054e4f6a8 [0,2,0,1,0,0|0,0,1]=4 38707 B12R1.272 CCC/C=C/CNCC1CCC1 928a39a64f852a188525903456961d51 [0,2,0,1,0,0|1,0,0]=4 38708 B12R1.272 CCC/C=C/COCC1CCC1 db5910299aba7663c77e97926c96be30 [0,2,0,1,0,0|0,0,0]=3 38709 B12R1.272 CCC/C=C/COCC1CCO1 0d050391190da9feaf6db9556fcd78df [0,2,0,1,0,0|0,0,1]=4 38710 B12R1.272 CCC/C=C/COCC1COC1 b5bc87e17dbee2a2a8866fa2a6b6e873 [0,2,0,1,0,0|0,0,1]=4 38711 B12R1.272 CCC/C=C/COCC1CSC1 adad4ed9fa932d7a6cb99a4d1c52d095 [0,2,0,1,0,0|0,0,1]=4 38712 B12R1.272 CCC/C=C/COC[C@@H]1CCO1 249a5cc633a965a040395fe7dd78fe5d [0,2,0,1,0,0|0,0,1]=4 38713 B12R1.272 CCC/C=C/COC[C@H]1CCO1 a3c69453b2d2206900a5bfef7a22bd5e [0,2,0,1,0,0|0,0,1]=4 38714 B12R1.272 CCC/C=C\CCOC1CCC1 bd962185cf1220cc73e22008f63b1caf [0,2,0,1,0,0|0,0,0]=3 38715 B12R1.272 CCC/C=C\CCOC1COC1 46492c7723003433cf41a28a8eeabb8f [0,2,0,1,0,0|1,0,0]=4 38716 B12R1.272 CCC/C=C\CNCC1CCC1 8bc2963b5cadc8ba9b81f45c97aca677 [0,2,0,1,0,0|1,0,0]=4 38717 B12R1.272 CCC/C=C\COCC1CCC1 4f325a538788457ce69c520ed17c75cd [0,2,0,1,0,0|0,0,0]=3 38718 B12R1.272 CCC/C=C\COCC1CCO1 ecc56edc229bca9e5f7bd958867a3fed [0,2,0,1,0,0|0,0,1]=4 38719 B12R1.272 CCC/C=C\COCC1COC1 dc04064db8694f0a13f01a8f6fc0ffed [0,2,0,1,0,0|0,0,1]=4 38720 B12R1.272 CCC/C=C\COCC1CSC1 62b4f4ea42fea60fd6965ca50978a1b8 [0,2,0,1,0,0|0,0,1]=4 38721 B12R1.272 CCC/C=C\COC[C@@H]1CCO1 6310d3269160d9144820d4dd5b53c39e [0,2,0,1,0,0|0,0,1]=4 38722 B12R1.272 CCC/C=C\COC[C@H]1CCO1 303418878749cb825cd9af10e6862fbb [0,2,0,1,0,0|0,0,1]=4 38723 B12R1.272 CCCC#CCCOC1CCC1 e0ffd05c44ffacd9bbd4b5754c00c80a [0,2,0,1,0,0|0,0,0]=3 38724 B12R1.272 CCCC#CCCOC1COC1 aadd277014eeb804021ab71c76bbf8a0 [0,2,0,1,0,0|1,0,0]=4 38725 B12R1.272 CCCC#CCOCC1CCC1 850719b392a49ff4a25e70d15ecd4ac8 [0,2,0,1,0,0|0,0,0]=3 38726 B12R1.272 CCCC#CCOCC1CCO1 6c078c11ff8cfa7d43e8918b38058637 [0,2,0,1,0,0|0,0,1]=4 38727 B12R1.272 CCCC#CCOCC1COC1 e00454869c4022a5d23bcd78aaf03047 [0,2,0,1,0,0|0,0,1]=4 38728 B12R1.272 CCCC#CCOC[C@@H]1CCO1 a9800c4dc6d7d1e4c7a9ed81d9ae77ae [0,2,0,1,0,0|0,0,1]=4 38729 B12R1.272 CCCC#CCOC[C@H]1CCO1 268ceafa8def23e6d031ac38b26ede16 [0,2,0,1,0,0|0,0,1]=4 38730 B12R1.272 CCCC/C=C/CNC1CCC1 7555b9a62476736e37c9f51ac3f60338 [0,2,0,1,0,0|1,0,0]=4 38731 B12R1.272 CCCC/C=C/COC1CCC1 2a19f130d0f0be7d17349803949e8e15 [0,2,0,1,0,0|0,0,0]=3 38732 B12R1.272 CCCC/C=C/COC1COC1 a2da3ef4cbdde3954aeb57a5cbaf5567 [0,2,0,1,0,0|1,0,0]=4 38733 B12R1.272 CCCC/C=C/COC1CSC1 f2e4c2896d3edc0953d438cf482d9ac1 [0,2,0,1,0,0|1,0,0]=4 38734 B12R1.272 CCCC/C=C\CNC1CCC1 8ce918d324208db937bcd893ddc495a9 [0,2,0,1,0,0|1,0,0]=4 38735 B12R1.272 CCCC/C=C\COC1CCC1 5843be7a4f4270b34f86b670ae822430 [0,2,0,1,0,0|0,0,0]=3 38736 B12R1.272 CCCC/C=C\COC1COC1 97b8fe0fe077c4a9eb51c1853756b364 [0,2,0,1,0,0|1,0,0]=4 38737 B12R1.272 CCCC/C=C\COC1CSC1 534e6f95077298974d1f85a7def477a2 [0,2,0,1,0,0|1,0,0]=4 38738 B12R1.272 CCCCC#CCOC1CCC1 0bc909d5f35d15a58285f5ea59204d95 [0,2,0,1,0,0|0,0,0]=3 38739 B12R1.272 CCCCC#CCOC1COC1 7eed0e8329ed92df05e55cf09bf2d1fd [0,2,0,1,0,0|1,0,0]=4 38740 B12R1.272 CCCCCCCCN1CCC1 5a69648be43a851becafcd53a2d6e293 [0,2,0,1,0,0|1,0,0]=4 38741 B12R1.272 CCCCCCCNC1CCC1 07daab71698f1c292001bfb7298713e5 [0,2,0,1,0,0|1,0,0]=4 38742 B12R1.272 CCCCCCCNC1COC1 985eeca272c38da7feaee6186dfcc8d3 [0,2,0,1,0,0|1,0,0]=4 38743 B12R1.272 CCCCCCCOC1CCC1 b47c8b27174570fa25733357b3581ddd [0,2,0,1,0,0|0,0,0]=3 38744 B12R1.272 CCCCCCCOC1COC1 f7f3553d43a67fe1ae70ee5bf6393a0b [0,2,0,1,0,0|1,0,0]=4 38745 B12R1.272 CCCCCCCOC1CSC1 f5f5ec18be7a2bf706846e608ed17e1b [0,2,0,1,0,0|1,0,0]=4 38746 B12R1.272 CCCCCCNCC1CCC1 dfe39a76d601bbfac289613304e72309 [0,2,0,1,0,0|1,0,0]=4 38747 B12R1.272 CCCCCCNCC1CCO1 8ccc148ab536509f3ed0c8ddaee59991 [0,2,0,1,0,0|1,0,0]=4 38748 B12R1.272 CCCCCCNCC1COC1 d14fe49d86b49a9e1fb04b0abc6d4893 [0,2,0,1,0,0|1,0,0]=4 38749 B12R1.272 CCCCCCNC[C@@H]1CCO1 002823e4c213ac7269cde41099cd41a9 [0,2,0,1,0,0|1,0,0]=4 38750 B12R1.272 CCCCCCNC[C@H]1CCO1 090e5c98c44d92cbf44ce77e017be260 [0,2,0,1,0,0|1,0,0]=4 38751 B12R1.272 CCCCCCOCC1CCC1 e37fdcb706d13e1088c6d8bef14f9778 [0,2,0,1,0,0|0,0,0]=3 38752 B12R1.272 CCCCCCOCC1CCO1 9cd9a9ac418cee6f2c949b093ee548b9 [0,2,0,1,0,0|0,0,0]=3 38753 B12R1.272 CCCCCCOCC1COC1 cd2eeb3da580759d6e9862cd2a4d6280 [0,2,0,1,0,0|0,0,0]=3 38754 B12R1.272 CCCCCCOCC1CSC1 3cc1d7a8d2845e521f124d936e42e48a [0,2,0,1,0,0|0,0,0]=3 38755 B12R1.272 CCCCCCOC[C@@H]1CCO1 718906fcb7c61b1957b26d53344d429b [0,2,0,1,0,0|0,0,0]=3 38756 B12R1.272 CCCCCCOC[C@H]1CCO1 a6ccd1ddca9aaeac6a0c61c57c396cc0 [0,2,0,1,0,0|0,0,0]=3 38757 B12R1.272 CCCCCNCCC1CCC1 4e45d4a60520d2224dee0a416e56b607 [0,2,0,1,0,0|1,0,0]=4 38758 B12R1.272 CCCCCNCCC1CCO1 fa21c818b5d697b9fe3328f5311e9098 [0,2,0,1,0,0|1,0,0]=4 38759 B12R1.272 CCCCCNCCC1COC1 d97764c32b0d2e56fcfff6172c72317c [0,2,0,1,0,0|1,0,0]=4 38760 B12R1.272 CCCCCNCCN1CCC1 b5cd1953791a1885a242ca7ffc829ee4 [0,2,0,1,0,0|1,0,0]=4 38761 B12R1.272 CCCCCNCC[C@@H]1CCO1 9b801df27179d546a1d9e7db64c11f95 [0,2,0,1,0,0|1,0,0]=4 38762 B12R1.272 CCCCCOCCC1CCC1 555cdb61a3e4a7d1aa5262d58cf36f1f [0,2,0,1,0,0|0,0,0]=3 38763 B12R1.272 CCCCCOCCC1CCO1 3df76e1ba561e08d7ee22e315d82c69e [0,2,0,1,0,0|0,0,0]=3 38764 B12R1.272 CCCCCOCCC1COC1 c5e587b63422de0a013836aa1d12cec7 [0,2,0,1,0,0|0,0,0]=3 38765 B12R1.272 CCCCCOCCN1CCC1 759070e0274d8a005aaeece7003aa3a1 [0,2,0,1,0,0|0,0,0]=3 38766 B12R1.272 CCCCCOCC[C@@H]1CCO1 5744ebad6ec95209f19fd294db187231 [0,2,0,1,0,0|0,0,0]=3 38767 B12R1.272 CCCCCOCC[C@H]1CCO1 1867b972c107ad80a81f3f7012dfaae1 [0,2,0,1,0,0|0,0,0]=3 38768 B12R1.272 CCCCNCCCN1CCC1 e4ff4dabaee64b339667d35f80ba2bfd [0,2,0,1,0,0|1,0,0]=4 38769 B12R1.272 CCCCNCCOC1CCC1 1852d1473c485b2d4396c0067f48d06d [0,2,0,1,0,0|0,0,0]=3 38770 B12R1.272 CCCCOCCCC1CCC1 92ff11f4251f4eb6b9793f0cb67e5b39 [0,2,0,1,0,0|0,0,0]=3 38771 B12R1.272 CCCCOCCCC1COC1 1011520eb1c0b349d706c8eed9518c43 [0,2,0,1,0,0|0,0,0]=3 38772 B12R1.272 CCCCOCCCN1CCC1 cb13134bce8d3a902d9a1c5719ce727d [0,2,0,1,0,0|0,0,0]=3 38773 B12R1.272 CCCCOCCNC1CCC1 926e63a078bb6b3fdb3a75e575b769d7 [0,2,0,1,0,0|0,0,0]=3 38774 B12R1.272 CCCCOCCNC1COC1 d374e8bdbc3f1dbe0500f0a992631223 [0,2,0,1,0,0|0,0,0]=3 38775 B12R1.272 CCCCOCCOC1CCC1 2f674514a7b6e63d8a806b6d42765a3e [0,2,0,1,0,0|0,0,0]=3 38776 B12R1.272 CCCCOCCOC1COC1 e21f3a7a63d1c479280125478fb7790d [0,2,0,1,0,0|0,0,0]=3 38777 B12R1.272 CCCCOCCOC1CSC1 e0ee6581b87df6aa33c9c0cf870d6fb7 [0,2,0,1,0,0|0,0,0]=3 38778 B12R1.272 CCCCOCNCC1CCC1 87ef272c144cb05ef1d4479b74e591d7 [0,2,0,1,0,0|0,0,0]=3 38779 B12R1.272 CCCCOCNCC1CCO1 91a456368926ef9cd36ba79b05ca5f4b [0,2,0,1,0,0|0,0,0]=3 38780 B12R1.272 CCCCOCNCC1COC1 0d69b35e95087564a7e768fcab5bf79b [0,2,0,1,0,0|0,0,0]=3 38781 B12R1.272 CCCCOCNC[C@@H]1CCO1 5ea3877d4eebd9d62b93e09d0507c7b9 [0,2,0,1,0,0|0,0,0]=3 38782 B12R1.272 CCCCOCNC[C@H]1CCO1 487ecd79fb9614a0497d10125d688515 [0,2,0,1,0,0|0,0,0]=3 38783 B12R1.272 CCCCOCOCC1CCC1 5880e1f0a16bd26361fe4c0b802158c8 [0,2,0,1,0,0|0,0,0]=3 38784 B12R1.272 CCCCOCOCC1CCO1 087872ea37529831d42491c0cf580833 [0,2,0,1,0,0|0,0,0]=3 38785 B12R1.272 CCCCOCOCC1COC1 1789f119bfa5a2922c3bf2b610dcb39a [0,2,0,1,0,0|0,0,0]=3 38786 B12R1.272 CCCCOCOCC1CSC1 7cec6f6f34774933853abc8ad3a8066d [0,2,0,1,0,0|0,0,0]=3 38787 B12R1.272 CCCCOCOC[C@@H]1CCO1 c28183a96fa46f3ae3d5924164b2d094 [0,2,0,1,0,0|0,0,0]=3 38788 B12R1.272 CCCCOCOC[C@H]1CCO1 2b51d8b2d9fdf1733c6d3d455cce083d [0,2,0,1,0,0|0,0,0]=3 38789 B12R1.272 CCCCSCCOC1CCC1 d616f821465ddf51670530f039be3fe4 [0,2,0,1,0,0|0,0,0]=3 38790 B12R1.272 CCCCSCCOC1COC1 56c24d80ebe4f071d817427532dabce3 [0,2,0,1,0,0|0,1,0]=4 38791 B12R1.272 CCCOCCCNC1CCC1 7e5fdbadbf3a77186ecf1cfe6cfedc35 [0,2,0,1,0,0|1,0,0]=4 38792 B12R1.272 CCCOCCCOC1CCC1 ff933917f5890c0b494b05987cea9b8a [0,2,0,1,0,0|0,0,0]=3 38793 B12R1.272 CCCOCCCOC1COC1 c55b3fa510413e552d65dd98ff749dc1 [0,2,0,1,0,0|1,0,0]=4 38794 B12R1.272 CCCOCCCOC1CSC1 3c343c3d6b4ba9f67cfb00b96df6434b [0,2,0,1,0,0|1,0,0]=4 38795 B12R1.272 CCCOCCNCC1CCC1 08283aa407ed5f543026d17d4eb84282 [0,2,0,1,0,0|1,0,0]=4 38796 B12R1.272 CCCOCCNCC1CCO1 51e9008913d45b4b924427f8a6fb3633 [0,2,0,1,0,0|1,0,0]=4 38797 B12R1.272 CCCOCCNCC1COC1 d53c927a29a54a80082d4ee8bfd7ed8a [0,2,0,1,0,0|1,0,0]=4 38798 B12R1.272 CCCOCCNC[C@@H]1CCO1 c61fa5beaf44640f80725274b93619de [0,2,0,1,0,0|1,0,0]=4 38799 B12R1.272 CCCOCCNC[C@H]1CCO1 3e42999a62ecb737cda409478fb0297f [0,2,0,1,0,0|1,0,0]=4 38800 B12R1.272 CCCOCCOCC1CCC1 f071c3ab8ff9b05fa062dc2f1175e491 [0,2,0,1,0,0|0,0,0]=3 38801 B12R1.272 CCCOCCOCC1CCO1 096ba7b0380fa0c9aefb39baa2db6cab [0,2,0,1,0,0|0,0,0]=3 38802 B12R1.272 CCCOCCOCC1COC1 c018e964746b7897e575f7a37aaf0051 [0,2,0,1,0,0|0,0,0]=3 38803 B12R1.272 CCCOCCOCC1CSC1 b7723d710c861198366c236bd7183a9b [0,2,0,1,0,0|0,0,0]=3 38804 B12R1.272 CCCOCCOC[C@@H]1CCO1 1a3b60123cb3bcad1eb8677c368a21ef [0,2,0,1,0,0|0,0,0]=3 38805 B12R1.272 CCCOCCOC[C@H]1CCO1 dfb5d13531454b44bfc1d293235c6f49 [0,2,0,1,0,0|0,0,0]=3 38806 B12R1.272 CCCSCCOCC1CCC1 d51f687655a0cea12af726f26d834479 [0,2,0,1,0,0|0,0,0]=3 38807 B12R1.272 CCCSCCOCC1CCO1 f293cec62fe07fa82e30084107ee8ccc [0,2,0,1,0,0|0,0,0]=3 38808 B12R1.272 CCCSCCOCC1COC1 9eb38f8b6e4e89f206d7949e609d7d12 [0,2,0,1,0,0|0,0,0]=3 38809 B12R1.272 CCCSCCOC[C@@H]1CCO1 0528d152e9d70271f4f45b1662b589b9 [0,2,0,1,0,0|0,0,0]=3 38810 B12R1.272 CCCSCCOC[C@H]1CCO1 93e59be05f2883a514ff03a6859bd502 [0,2,0,1,0,0|0,0,0]=3 38811 B12R1.272 CCOCCCNCC1CCC1 c8c65901204af7f88c5dfd052dd1a633 [0,2,0,1,0,0|1,0,0]=4 38812 B12R1.272 CCOCCCNCC1CCO1 924fc1230ce9a68aef1ef5e831060ec3 [0,2,0,1,0,0|1,0,0]=4 38813 B12R1.272 CCOCCCNCC1COC1 1009d5176c9d6a3c51dcb7441e6b2e99 [0,2,0,1,0,0|1,0,0]=4 38814 B12R1.272 CCOCCCNC[C@@H]1CCO1 469c3427db3ae11bcc434ee8503f73e9 [0,2,0,1,0,0|1,0,0]=4 38815 B12R1.272 CCOCCCNC[C@H]1CCO1 66a6214b10cefacb4f6a076c833c66ee [0,2,0,1,0,0|1,0,0]=4 38816 B12R1.272 CCOCCCOCC1CCC1 88e3155a6f2b5288225bb2798a37658b [0,2,0,1,0,0|0,0,0]=3 38817 B12R1.272 CCOCCCOCC1CCO1 3c6cb600c5b6970ff994baef0aabeaad [0,2,0,1,0,0|0,0,0]=3 38818 B12R1.272 CCOCCCOCC1COC1 e83eb7aafc25d8abc82b3fb05d31b1a9 [0,2,0,1,0,0|0,0,0]=3 38819 B12R1.272 CCOCCCOCC1CSC1 50420f1d2f43f8a64bd6a02e68cd3cc5 [0,2,0,1,0,0|0,0,0]=3 38820 B12R1.272 CCOCCCOC[C@@H]1CCO1 f4e68d8c247edea6c774c9771482c2c2 [0,2,0,1,0,0|0,0,0]=3 38821 B12R1.272 CCOCCCOC[C@H]1CCO1 03663d2ce129f06ca4ac5e4029d5d5b0 [0,2,0,1,0,0|0,0,0]=3 38822 B12R1.272 CCOCCNCCC1CCC1 6e16351522a5e0856a43d7b3907d93dd [0,2,0,1,0,0|1,0,0]=4 38823 B12R1.272 CCOCCNCCC1CCO1 5c4da9a1a351789e79c0c9273b44b667 [0,2,0,1,0,0|1,0,0]=4 38824 B12R1.272 CCOCCNCCC1COC1 c05c4bda95cd5b33cc264825e96e53eb [0,2,0,1,0,0|1,0,0]=4 38825 B12R1.272 CCOCCNCCN1CCC1 a9c82d7a529389fc2139ab4ce205365c [0,2,0,1,0,0|1,0,0]=4 38826 B12R1.272 CCOCCNCC[C@@H]1CCO1 c994c8ddf4cf611e86174617d83cc939 [0,2,0,1,0,0|1,0,0]=4 38827 B12R1.272 CCOCCOCCC1CCC1 9ce2e82f2089e41d8534f0d03a60241a [0,2,0,1,0,0|0,0,0]=3 38828 B12R1.272 CCOCCOCCC1CCO1 8c3cbc86b58bb31f5659845a8e50beff [0,2,0,1,0,0|0,0,0]=3 38829 B12R1.272 CCOCCOCCC1COC1 f37f8c5d42b7f520ea223c78224be4e6 [0,2,0,1,0,0|0,0,0]=3 38830 B12R1.272 CCOCCOCCN1CCC1 50885e783f3dda9a29cf44bf4403ed54 [0,2,0,1,0,0|0,0,0]=3 38831 B12R1.272 CCOCCOCC[C@@H]1CCO1 30c26f580d3b3e479e3323b4c185048c [0,2,0,1,0,0|0,0,0]=3 38832 B12R1.272 CCOCCOCC[C@H]1CCO1 065e572b7e6bd5c8f1c94b964a2efa9f [0,2,0,1,0,0|0,0,0]=3 38833 B12R1.272 CCOCOCCCC1CCC1 7e8d55f9a863272e1139704e69b0efc5 [0,2,0,1,0,0|1,0,0]=4 38834 B12R1.272 CCOCOCCCC1COC1 fb24ec6be470da73463e2b1f3bce2afb [0,2,0,1,0,0|1,0,0]=4 38835 B12R1.272 CCOCOCCCN1CCC1 b2749956933287211f43431d844309fc [0,2,0,1,0,0|1,0,0]=4 38836 B12R1.272 CCOCOCCOC1CCC1 46192b8dcbba1cbdedcfa7a04791c305 [0,2,0,1,0,0|0,0,0]=3 38837 B12R1.272 CCSCCCCNC1CCC1 dba71e336f6f90bd851a1b0ddfafc54b [0,2,0,1,0,0|1,0,0]=4 38838 B12R1.272 CCSCCCNCC1CCC1 0ffab6c231dc8ac9b2b6fd3112d311bc [0,2,0,1,0,0|1,0,0]=4 38839 B12R1.272 CCSCCCNCC1CCO1 1d7d35c920598a7edee296887b39e523 [0,2,0,1,0,0|1,0,0]=4 38840 B12R1.272 CCSCCCNCC1COC1 f8e5715c3d234aa5c025041c6ca99692 [0,2,0,1,0,0|1,0,0]=4 38841 B12R1.272 CCSCCCNC[C@@H]1CCO1 d40db36a497e3d6443d4b86fff1f9898 [0,2,0,1,0,0|1,0,0]=4 38842 B12R1.272 CCSCCCNC[C@H]1CCO1 42944db7e7fc7c13f0c692b9d3c0fac0 [0,2,0,1,0,0|1,0,0]=4 38843 B12R1.272 CCSCCCOCC1CCC1 9f7b2db2cba96b9d575a8d503f824b94 [0,2,0,1,0,0|0,0,0]=3 38844 B12R1.272 CCSCCCOCC1CCO1 90525cd56a44fd542582d7bf163124c5 [0,2,0,1,0,0|0,0,0]=3 38845 B12R1.272 CCSCCCOCC1COC1 e9e96b02f472075f71feda8dc278fbf0 [0,2,0,1,0,0|0,0,0]=3 38846 B12R1.272 CCSCCCOCC1CSC1 a6b03f0947ac553406414c6e30397d7f [0,2,0,1,0,0|0,0,0]=3 38847 B12R1.272 CCSCCCOC[C@@H]1CCO1 67401f3dd1fb8979cf76cbb4a6806557 [0,2,0,1,0,0|0,0,0]=3 38848 B12R1.272 CCSCCCOC[C@H]1CCO1 e78809f7052b92df2dfc74e77eaad071 [0,2,0,1,0,0|0,0,0]=3 38849 B12R1.272 CCSCCNCCC1CCC1 1345fa3a63e5c3b6777d7ecacc45deec [0,2,0,1,0,0|1,0,0]=4 38850 B12R1.272 CCSCCNCCC1CCO1 67af324459c1de343524ac1ad7416688 [0,2,0,1,0,0|1,0,0]=4 38851 B12R1.272 CCSCCNCCC1COC1 1bb9ee3732327b8c7d74983556619b33 [0,2,0,1,0,0|1,0,0]=4 38852 B12R1.272 CCSCCNCCN1CCC1 cac0a58aadeb58b2149a05ea906a5dfc [0,2,0,1,0,0|1,0,0]=4 38853 B12R1.272 CCSCCNCC[C@@H]1CCO1 6b5a151f9847f588d88618b041bd9b49 [0,2,0,1,0,0|1,0,0]=4 38854 B12R1.272 CCSCCOCCC1CCC1 2eae0619db290a88304d1be256602b6a [0,2,0,1,0,0|0,0,0]=3 38855 B12R1.272 CCSCCOCCC1CCO1 0bc82396299e92d88386207038115c84 [0,2,0,1,0,0|0,0,0]=3 38856 B12R1.272 CCSCCOCCC1COC1 7e40dcf48eada4d2407a29eec8db20cf [0,2,0,1,0,0|0,0,0]=3 38857 B12R1.272 CCSCCOCCN1CCC1 ed47b7c0eb5766ba0ddf40b111fae3bd [0,2,0,1,0,0|0,0,0]=3 38858 B12R1.272 CCSCCOCC[C@@H]1CCO1 d9f4cbab5dc495d28ce5b17732437810 [0,2,0,1,0,0|0,0,0]=3 38859 B12R1.272 CCSCCOCC[C@H]1CCO1 ea86a45850a8eb97c09312739d49c599 [0,2,0,1,0,0|0,0,0]=3 38860 B12R1.272 COCC#CCOCC1CCC1 46e9d79d2b16a9778a311ea2301a1cfe [0,2,0,1,0,0|0,0,1]=4 38861 B12R1.272 COCCCCCCN1CCC1 0d790d1c96e75e708def5a5c0a67aa45 [0,2,0,1,0,0|1,0,0]=4 38862 B12R1.272 COCCCCCNC1CCC1 d6264ca3347c4a1cbc4c871b3f021968 [0,2,0,1,0,0|1,0,0]=4 38863 B12R1.272 COCCCCCOC1CCC1 40ae7ac31188ee5e59cd9addec180d45 [0,2,0,1,0,0|0,0,0]=3 38864 B12R1.272 COCCCCCOC1COC1 8509f39ff48e206994e51fab91162a5c [0,2,0,1,0,0|1,0,0]=4 38865 B12R1.272 COCCCCCOC1CSC1 d84db0567fc759d56e9f483d44dcf9a3 [0,2,0,1,0,0|1,0,0]=4 38866 B12R1.272 COCCCCNCC1CCC1 78ae9471fa4e59cf7b7cbd5a50f51e90 [0,2,0,1,0,0|1,0,0]=4 38867 B12R1.272 COCCCCNCC1CCO1 6cb9e2314fb62edf441757aaa04c756e [0,2,0,1,0,0|1,0,0]=4 38868 B12R1.272 COCCCCNCC1COC1 4acd4a70182a4c2171a922732d7915a0 [0,2,0,1,0,0|1,0,0]=4 38869 B12R1.272 COCCCCNC[C@@H]1CCO1 bfd16d76de513c38469751ebbdfe830f [0,2,0,1,0,0|1,0,0]=4 38870 B12R1.272 COCCCCNC[C@H]1CCO1 6665a9f5cddb8ecbdc45d9c216885ad2 [0,2,0,1,0,0|1,0,0]=4 38871 B12R1.272 COCCCCOCC1CCC1 5d641d2d43daad32b3fcfecbe3768a55 [0,2,0,1,0,0|0,0,0]=3 38872 B12R1.272 COCCCCOCC1CCO1 e13285b49f48134b60acc6fa74813063 [0,2,0,1,0,0|0,0,0]=3 38873 B12R1.272 COCCCCOCC1COC1 f1122a3792c9113f4008586a4ac12eb2 [0,2,0,1,0,0|0,0,0]=3 38874 B12R1.272 COCCCCOCC1CSC1 e22e1540facb17f6fe5ab64909632f6d [0,2,0,1,0,0|0,0,0]=3 38875 B12R1.272 COCCCCOC[C@@H]1CCO1 ff48153a51ae041046eecc19c322696f [0,2,0,1,0,0|0,0,0]=3 38876 B12R1.272 COCCCCOC[C@H]1CCO1 0cd0687d018cbc78b0f222ae3e340dda [0,2,0,1,0,0|0,0,0]=3 38877 B12R1.272 COCCCNCCC1CCC1 6fcaa7646173f312a44489daa51410a7 [0,2,0,1,0,0|1,0,0]=4 38878 B12R1.272 COCCCNCCC1CCO1 218bde65d6ed2d5750052a2476a6f3a8 [0,2,0,1,0,0|1,0,0]=4 38879 B12R1.272 COCCCNCCC1COC1 5eb4f8a9a6681f3f0725fefd1b7f0078 [0,2,0,1,0,0|1,0,0]=4 38880 B12R1.272 COCCCNCCN1CCC1 914fb2d867ff0d7c7fe3be639ba480bf [0,2,0,1,0,0|1,0,0]=4 38881 B12R1.272 COCCCNCC[C@@H]1CCO1 f7d6c741ff890cacd951e283c0c8cbc4 [0,2,0,1,0,0|1,0,0]=4 38882 B12R1.272 COCCCOCCC1CCC1 6c204f40299e86041284156ace25374e [0,2,0,1,0,0|0,0,0]=3 38883 B12R1.272 COCCCOCCC1CCO1 bdc2c7644cd83ab7f01518e5431842f1 [0,2,0,1,0,0|0,0,0]=3 38884 B12R1.272 COCCCOCCC1COC1 f0bbd74cb5e76696d1a3aca0613a5ac1 [0,2,0,1,0,0|0,0,0]=3 38885 B12R1.272 COCCCOCCN1CCC1 a0e479943e0c3dcd3024e65a8e14a67f [0,2,0,1,0,0|0,0,0]=3 38886 B12R1.272 COCCCOCC[C@@H]1CCO1 674d97683ba586ebe9a668aa00557589 [0,2,0,1,0,0|0,0,0]=3 38887 B12R1.272 COCCCOCC[C@H]1CCO1 667601bc2dca30f3c49e65fb70aaccb2 [0,2,0,1,0,0|0,0,0]=3 38888 B12R1.272 COCCNCCOC1CCC1 fb67b14ccd79cc319437283a39a42749 [0,2,0,1,0,0|0,0,0]=3 38889 B12R1.272 COCCOCCCC1CCC1 2fb2721988f39ae68d3bff3b6c14955b [0,2,0,1,0,0|1,0,0]=4 38890 B12R1.272 COCCOCCCC1COC1 0637c7b0f92e5dcedffeff44eba8688c [0,2,0,1,0,0|1,0,0]=4 38891 B12R1.272 COCCOCCCN1CCC1 d4b87a9a4ee5c5bbcde3387e4aaba70a [0,2,0,1,0,0|1,0,0]=4 38892 B12R1.272 COCCOCCNC1CCC1 20e0b94d13033508f51cc55d49331541 [0,2,0,1,0,0|1,0,0]=4 38893 B12R1.272 COCCOCCNC1COC1 a1ea4a8a4f1f452eb67362dd6a695311 [0,2,0,1,0,0|1,0,0]=4 38894 B12R1.272 COCCOCCOC1CCC1 f6922668444a052cb2df0272e51fcb6c [0,2,0,1,0,0|0,0,0]=3 38895 B12R1.272 COCCOCCOC1COC1 e1620769ee9078ef5c154a2a8df389e2 [0,2,0,1,0,0|1,0,0]=4 38896 B12R1.272 COCCOCCOC1CSC1 44435985d221f9aac80d3599bb316af9 [0,2,0,1,0,0|1,0,0]=4 38897 B12R1.272 COCCOCNCC1CCC1 37f1616ac9659110817651ff01bc83ac [0,2,0,1,0,0|1,0,0]=4 38898 B12R1.272 COCCOCNCC1CCO1 5fe923887ab59ec3adbff0404aff3748 [0,2,0,1,0,0|1,0,0]=4 38899 B12R1.272 COCCOCNCC1COC1 50eb04ab5077ea952693704133db3daf [0,2,0,1,0,0|1,0,0]=4 38900 B12R1.272 COCCOCNC[C@@H]1CCO1 a8b89540d8089aadd71ea99cf89320b7 [0,2,0,1,0,0|1,0,0]=4 38901 B12R1.272 COCCOCNC[C@H]1CCO1 517b0528078f5231bf2c51ff4882a9ab [0,2,0,1,0,0|1,0,0]=4 38902 B12R1.272 COCCOCOCC1CCC1 f17aae16190d5b166c6e5713aefc3151 [0,2,0,1,0,0|0,0,0]=3 38903 B12R1.272 COCCOCOCC1CCO1 a31f5632c9fb2c0a437a5185468ac0a7 [0,2,0,1,0,0|1,0,0]=4 38904 B12R1.272 COCCOCOCC1COC1 9d54ac988e6bd178d9f4987ddf46a4f2 [0,2,0,1,0,0|1,0,0]=4 38905 B12R1.272 COCCOCOCC1CSC1 8e4ec65b7fab3150927bfbd43e22eb20 [0,2,0,1,0,0|1,0,0]=4 38906 B12R1.272 COCCOCOC[C@@H]1CCO1 f434993549c3b57f4dce5ae4da37896f [0,2,0,1,0,0|1,0,0]=4 38907 B12R1.272 COCCOCOC[C@H]1CCO1 c28c74181b0f5fa19e02b099ebaa5763 [0,2,0,1,0,0|1,0,0]=4 38908 B12R1.272 COCOCCNCC1CCC1 32ed7cb68f4b5729ce24204a9a1289c7 [0,2,0,1,0,0|1,0,0]=4 38909 B12R1.272 COCOCCOCC1CCC1 7f13b2966be823c1f439d7ea07e116dc [0,2,0,1,0,0|0,0,0]=3 38910 B12R1.272 COCOCCOCC1CCO1 6afd10f27e00bfa3ed93d8d217f0c2a1 [0,2,0,1,0,0|1,0,0]=4 38911 B12R1.272 COCOCCOCC1COC1 bc25d38f80d484a2fa3855d24a53f4ed [0,2,0,1,0,0|1,0,0]=4 38912 B12R1.272 COCOCCOCC1CSC1 559dcc17655b92d09a6b8acd5f93cd99 [0,2,0,1,0,0|1,0,0]=4 38913 B12R1.272 COCOCCOC[C@@H]1CCO1 8e7ce9467b21c3e6778b09a09818a314 [0,2,0,1,0,0|1,0,0]=4 38914 B12R1.272 COCOCCOC[C@H]1CCO1 564ca45fe9d1c0bbb1257a79e0b12e7a [0,2,0,1,0,0|1,0,0]=4 38915 B12R1.272 CSCCCCNCC1CCC1 47cfda02f6ad245e3cdc3096503849b4 [0,2,0,1,0,0|1,0,0]=4 38916 B12R1.272 CSCCCCNCC1CCO1 b91c05bf8edfa2157606626bdbc7503e [0,2,0,1,0,0|1,0,0]=4 38917 B12R1.272 CSCCCCNCC1COC1 a4a393be72cd98cecd1188693d848d70 [0,2,0,1,0,0|1,0,0]=4 38918 B12R1.272 CSCCCCNC[C@@H]1CCO1 1729a72ae24d23d3ebf3ded0e57bed96 [0,2,0,1,0,0|1,0,0]=4 38919 B12R1.272 CSCCCCNC[C@H]1CCO1 31cd417c28eb8b6a58d549de79f576ba [0,2,0,1,0,0|1,0,0]=4 38920 B12R1.272 CSCCCCOCC1CCC1 214eb6242e5424bdcfcb6149ae84d821 [0,2,0,1,0,0|0,0,0]=3 38921 B12R1.272 CSCCCCOCC1CCO1 10f7fa1a3e2271d1cd57c81359d1b0d5 [0,2,0,1,0,0|0,0,0]=3 38922 B12R1.272 CSCCCCOCC1COC1 73a25da071574437f2a88f456ce8aa5d [0,2,0,1,0,0|0,0,0]=3 38923 B12R1.272 CSCCCCOC[C@@H]1CCO1 41ae56f2f4773b2de0a4e4fa227b5d86 [0,2,0,1,0,0|0,0,0]=3 38924 B12R1.272 CSCCCCOC[C@H]1CCO1 e202d9a8aa4643232cc28c6d67deaedb [0,2,0,1,0,0|0,0,0]=3 38925 B12R1.272 CSCCCNCCC1CCC1 42abbf4baa11548d1c9552e53152aff8 [0,2,0,1,0,0|1,0,0]=4 38926 B12R1.272 CSCCCNCCC1CCO1 9e5805be1a0e6c52586fe11988bd4162 [0,2,0,1,0,0|1,0,0]=4 38927 B12R1.272 CSCCCNCCC1COC1 71048297a02601983f847846c4b49fe5 [0,2,0,1,0,0|1,0,0]=4 38928 B12R1.272 CSCCCNCCN1CCC1 304159c2d091c2fb03034f08312bd59a [0,2,0,1,0,0|1,0,0]=4 38929 B12R1.272 CSCCCNCC[C@@H]1CCO1 f7a939d3834f5ada520d23d7fa979130 [0,2,0,1,0,0|1,0,0]=4 38930 B12R1.272 CSCCCOCCC1CCC1 117f2f51201b3c2185700bab898f9677 [0,2,0,1,0,0|0,0,0]=3 38931 B12R1.272 CSCCCOCCC1CCO1 5423bb82a8f756eb52602d827d432be3 [0,2,0,1,0,0|0,0,0]=3 38932 B12R1.272 CSCCCOCCC1COC1 945ff7e224f362065b591b1badb985a5 [0,2,0,1,0,0|0,0,0]=3 38933 B12R1.272 CSCCCOCCN1CCC1 3d507d440a0d5da415aa79717d40638e [0,2,0,1,0,0|0,0,0]=3 38934 B12R1.272 CSCCCOCC[C@@H]1CCO1 b8c488a472a8023e0a455f3c445a75c3 [0,2,0,1,0,0|0,0,0]=3 38935 B12R1.272 CSCCCOCC[C@H]1CCO1 ed1ff0c435aa66dec08f0a255388d0d6 [0,2,0,1,0,0|0,0,0]=3 38936 B12R1.272 CSCCNCCOC1CCC1 968f9d597b91c95f9e24e8cae577fffc [0,2,0,1,0,0|0,0,0]=3 38937 B12R1.272 CSCCOCCCC1CCC1 baeed79a020384f65ff6d28d9cbb76bc [0,2,0,1,0,0|1,0,0]=4 38938 B12R1.272 CSCCOCCCC1COC1 4728fa0dc75e2485f7cc0f98bead6c6a [0,2,0,1,0,0|1,0,0]=4 38939 B12R1.272 CSCCOCCCN1CCC1 5c72e658cbba7dfbeef996173d9e5e16 [0,2,0,1,0,0|1,0,0]=4 38940 B12R1.272 CSCCOCCOC1CCC1 c21eb2152cb35d1d860fd4fbe7d38ecf [0,2,0,1,0,0|0,0,0]=3 38941 B12R1.272 ClCCCCCCNC1CCC1 13d5f9130cf9b139bbf93ee93e0e9129 [0,2,0,1,0,0|1,0,0]=4 38942 B12R1.272 ClCCCCCNCC1CCC1 7a9408c57eb4065211f320d731bb23b8 [0,2,0,1,0,0|1,0,0]=4 38943 B12R1.272 ClCCCCCNCC1CCO1 89108b7262f53974e31615f141a0d372 [0,2,0,1,0,0|1,0,0]=4 38944 B12R1.272 ClCCCCCNCC1COC1 43b5296a4c702e3877331c3edd53af26 [0,2,0,1,0,0|1,0,0]=4 38945 B12R1.272 ClCCCCCNC[C@@H]1CCO1 df9acf417713c131a3ceb864965188ca [0,2,0,1,0,0|1,0,0]=4 38946 B12R1.272 ClCCCCCNC[C@H]1CCO1 3f5a970edc6dbc413c00cf5b15ef4d04 [0,2,0,1,0,0|1,0,0]=4 38947 B12R1.272 ClCCCCNCCC1CCC1 1e69ff53dc5127df3a1c1d6309394640 [0,2,0,1,0,0|1,0,0]=4 38948 B12R1.272 ClCCCCNCCC1CCO1 7a6acc3b8a265d8ef0957b73c8ab643d [0,2,0,1,0,0|1,0,0]=4 38949 B12R1.272 ClCCCCNCCC1COC1 73b0633d6777ef2352655ef4a34c66e4 [0,2,0,1,0,0|1,0,0]=4 38950 B12R1.272 ClCCCNCCOC1CCC1 99c9e6220e705a67a2c370e89ae76d5f [0,2,0,1,0,0|0,0,0]=3 38951 B12R1.272 FCCCCCCNC1CCC1 46d03adf30b5b78b2315504f37a43e72 [0,2,0,1,0,0|1,0,0]=4 38952 B12R1.272 FCCCCCCOC1CCC1 f18f1f4acc77e6ea8836e5c0305b6a87 [0,2,0,1,0,0|0,0,0]=3 38953 B12R1.272 FCCCCCCOC1COC1 6719d8d93dafd03acc996633d37cb304 [0,2,0,1,0,0|1,0,0]=4 38954 B12R1.272 FCCCCCCOC1CSC1 1b40dc4aa8d62bad9c07af7297bf7b06 [0,2,0,1,0,0|1,0,0]=4 38955 B12R1.272 FCCCCCNCC1CCC1 03dcd575cbc9e674d29ff2348aaeb375 [0,2,0,1,0,0|1,0,0]=4 38956 B12R1.272 FCCCCCNCC1CCO1 5a024d6f7f1317f85f0f1f4ed001f75f [0,2,0,1,0,0|1,0,0]=4 38957 B12R1.272 FCCCCCNCC1COC1 a6b2aa2e8b2510280dcdcef6b2554a0e [0,2,0,1,0,0|1,0,0]=4 38958 B12R1.272 FCCCCCNC[C@@H]1CCO1 6868e76078d6c0e4bf517781cb487541 [0,2,0,1,0,0|1,0,0]=4 38959 B12R1.272 FCCCCCNC[C@H]1CCO1 26a02e24660ebe28df3ae4a84a2b87d4 [0,2,0,1,0,0|1,0,0]=4 38960 B12R1.272 FCCCCCOCC1CCC1 dedc803d1ed92d03924aa999a6c67796 [0,2,0,1,0,0|0,0,0]=3 38961 B12R1.272 FCCCCCOCC1CCO1 f120aac47f71be138b8a9e5366b4b24c [0,2,0,1,0,0|0,0,0]=3 38962 B12R1.272 FCCCCCOCC1COC1 61a73355b8d9a6016c1160745c6ba297 [0,2,0,1,0,0|0,0,0]=3 38963 B12R1.272 FCCCCCOCC1CSC1 e3f183da2aefe9067186691529db1093 [0,2,0,1,0,0|0,0,0]=3 38964 B12R1.272 FCCCCCOC[C@@H]1CCO1 cbeba1d1db875cc36997fa486d08691d [0,2,0,1,0,0|0,0,0]=3 38965 B12R1.272 FCCCCCOC[C@H]1CCO1 8343ac47d289111f6d6c8d6e7019baa3 [0,2,0,1,0,0|0,0,0]=3 38966 B12R1.272 FCCCCNCCC1CCC1 3c6e31209f09bc0b12ff0137bdb2b888 [0,2,0,1,0,0|1,0,0]=4 38967 B12R1.272 FCCCCNCCC1CCO1 88f945920a2dffceefd3848f8542417c [0,2,0,1,0,0|1,0,0]=4 38968 B12R1.272 FCCCCNCCC1COC1 59624aceee04e7320f899773671def23 [0,2,0,1,0,0|1,0,0]=4 38969 B12R1.272 FCCCCNCCN1CCC1 5cf61521d89f45e485d0b5a95740972e [0,2,0,1,0,0|1,0,0]=4 38970 B12R1.272 FCCCCNCC[C@@H]1CCO1 3f92f2decfe32147127f9877be173026 [0,2,0,1,0,0|1,0,0]=4 38971 B12R1.272 FCCCCOCCC1CCC1 6cb765e4e72ec4e44516d8f038943a1d [0,2,0,1,0,0|0,0,0]=3 38972 B12R1.272 FCCCCOCCC1CCO1 ec0ba7d1d95fa80b27e3d4b1aef06fef [0,2,0,1,0,0|0,0,0]=3 38973 B12R1.272 FCCCCOCCC1COC1 fecb993eae889f13fca9990813f02537 [0,2,0,1,0,0|0,0,0]=3 38974 B12R1.272 FCCCCOCCN1CCC1 00e8602e7ad70bc4c9ab92a3a8c3bbe3 [0,2,0,1,0,0|0,0,0]=3 38975 B12R1.272 FCCCCOCC[C@@H]1CCO1 5254b176af53bcde90c6db6c91c081c1 [0,2,0,1,0,0|0,0,0]=3 38976 B12R1.272 FCCCCOCC[C@H]1CCO1 b8c06bbc4682111cdd929a110f39c45d [0,2,0,1,0,0|0,0,0]=3 38977 B12R1.272 FCCCOCCCC1CCC1 372b601a2f23a2f826129c9abc27e1d3 [0,2,0,1,0,0|1,0,0]=4 38978 B12R1.272 FCCCOCCCC1COC1 bbcb0512e1fd15e82cfa004c7a0c8f93 [0,2,0,1,0,0|1,0,0]=4 38979 B12R1.272 FCCCOCCCN1CCC1 751d767b755154d4195938305568bf57 [0,2,0,1,0,0|1,0,0]=4 38980 B12R1.272 FCCCOCCOC1CCC1 b3ee429839dde2b8c584051a8fbd86ef [0,2,0,1,0,0|0,0,0]=3 38981 B12R1.272 FCCOCCOCC1CCC1 6b060bf64230b57c6c84bf2bf1da4ba5 [0,2,0,1,0,0|0,0,0]=3 38982 B12R1.272 FCCOCCOCC1CCO1 ab694b7eb649c1c36926e9ee6a48dc27 [0,2,0,1,0,0|1,0,0]=4 38983 B12R1.272 FCCOCCOCC1COC1 282f8b7c0461baa9675bc2a8fe95c333 [0,2,0,1,0,0|1,0,0]=4 38984 B12R1.272 FCCOCCOC[C@@H]1CCO1 c3a4bd7ec610000e21ce1445cb033d45 [0,2,0,1,0,0|1,0,0]=4 38985 B12R1.272 FCCOCCOC[C@H]1CCO1 5af86de3d31f75aa15325451c7db0ca6 [0,2,0,1,0,0|1,0,0]=4 38986 B12R1.272 N#CCCCCCNC1CCC1 94dada34e476bcc320641af919592712 [0,2,0,1,0,0|1,0,0]=4 38987 B12R1.272 N#CCCCCCOC1CCC1 11d5ed2ff85e6021d320bd19bb5e52f4 [0,2,0,1,0,0|0,0,0]=3 38988 B12R1.272 N#CCCCCCOC1COC1 398b026c2ba4ee5100b681f137dbf5e4 [0,2,0,1,0,0|1,0,0]=4 38989 B12R1.272 N#CCCCCCOC1CSC1 b30fbfed84aa595de175249ec2585353 [0,2,0,1,0,0|1,0,0]=4 38990 B12R1.272 N#CCCCCNCC1CCC1 8ecdb03abeab62120e09a1137e482e6b [0,2,0,1,0,0|1,0,0]=4 38991 B12R1.272 N#CCCCCOCC1CCC1 baf6b713f2bcdc930573756249eb7cfe [0,2,0,1,0,0|0,0,0]=3 38992 B12R1.272 N#CCCCCOCC1CCO1 49261942e33fabba5d765b813dc1b6f9 [0,2,0,1,0,0|0,0,1]=4 38993 B12R1.272 N#CCCCCOCC1COC1 168592a414c3e66483573b5991ea8de5 [0,2,0,1,0,0|0,0,1]=4 38994 B12R1.272 N#CCCCCOCC1CSC1 9feef971acb20916d3c66dddccc880ab [0,2,0,1,0,0|0,0,1]=4 38995 B12R1.272 N#CCCCCOC[C@@H]1CCO1 2a8a09ede68f67b97815a48fe79fcc00 [0,2,0,1,0,0|0,0,1]=4 38996 B12R1.272 N#CCCCCOC[C@H]1CCO1 b1414c08dc70f53e36dcadc0d5417772 [0,2,0,1,0,0|0,0,1]=4 38997 B12R1.272 N#CCCCOCCC1CCC1 3632cbf9a871039a4919a04278f2ca41 [0,2,0,1,0,0|0,0,1]=4 38998 B12R1.272 N#CCCCOCCC1CCO1 a2f8ea7efe9b74af33e6c55e4334a9cf [0,2,0,1,0,0|0,0,1]=4 38999 B12R1.272 N#CCCCOCCC1COC1 90ce9751807b84af2822da0cc6a4147c [0,2,0,1,0,0|0,0,1]=4 39000 B12R1.272 N#CCCCOCCN1CCC1 7b6951a391be382cbb07c3f6185d1629 [0,2,0,1,0,0|0,0,1]=4 39001 B12R1.272 N#CCCCOCC[C@@H]1CCO1 50c0492ec5fb0501c7fe9dce8336b50d [0,2,0,1,0,0|0,0,1]=4 39002 B12R1.272 N#CCCCOCC[C@H]1CCO1 60879e030a39a53bd59b6c09a41418b5 [0,2,0,1,0,0|0,0,1]=4 39003 B12R1.272 N#CCCNCCOC1CCC1 e6b50e9df5b2ef483199490bca4d8fa3 [0,2,0,1,0,0|0,0,1]=4 39004 B12R1.272 N#CCCOCCOC1CCC1 ac98473089b0c166b1fe482835b99ce4 [0,2,0,1,0,0|0,0,1]=4 39005 B12R1.272 N#CCOCCCOC1CCC1 090ca93b880b5faa759d0f92466a87ed [0,2,0,1,0,0|0,0,1]=4 39006 B12R1.272 N#CCOCCOCC1CCC1 b395c4a2ce493cf8ef3ed9b17ff02353 [0,2,0,1,0,0|0,0,1]=4 39007 B12R1.272 NOCCCCNCC1CCC1 4b33208b6385e7c38e72f71acdc7e90c [0,2,0,1,0,0|1,0,0]=4 39008 B12R1.272 NOCCNCCOC1CCC1 3f19c2834b45a698ff997e08a0fafe3a [0,2,0,1,0,0|1,0,0]=4 39009 B12R1.272 O=CCCCCCNC1CCC1 a3a39d744152eeedfc08b5953eb180f9 [0,2,0,1,0,0|1,0,0]=4 39010 B12R1.272 O=CCCCCCOC1CCC1 cc30efed8c0c4f6d5173a4e20289833a [0,2,0,1,0,0|0,0,0]=3 39011 B12R1.272 O=CCCCCCOC1COC1 ae4d533c7c996880c76f796e794bfa18 [0,2,0,1,0,0|1,0,0]=4 39012 B12R1.272 O=CCCCCCOC1CSC1 7a1ca4313a03009d388518362ec4fee9 [0,2,0,1,0,0|1,0,0]=4 39013 B12R1.272 O=CCCCCNCC1CCC1 0d6cc1e5ef755a0770194532b110ff6c [0,2,0,1,0,0|1,0,0]=4 39014 B12R1.272 O=CCCCCOCC1CCC1 aea2ae1353d43c61c45f3fb3853788b8 [0,2,0,1,0,0|0,0,0]=3 39015 B12R1.272 O=CCCCCOCC1CCO1 52ff61116affe13efe562a1efc4dfc9a [0,2,0,1,0,0|0,0,1]=4 39016 B12R1.272 O=CCCCCOCC1COC1 6cf456b38341cec1e8aa94ace2672793 [0,2,0,1,0,0|0,0,1]=4 39017 B12R1.272 O=CCCCCOCC1CSC1 58cb30df6f4b47d37effc76926e3d403 [0,2,0,1,0,0|0,0,1]=4 39018 B12R1.272 O=CCCCCOC[C@@H]1CCO1 753f2676350bc37b690af1eeb3bfef57 [0,2,0,1,0,0|0,0,1]=4 39019 B12R1.272 O=CCCCCOC[C@H]1CCO1 3d857474d8059d4ab84e1467e01b83d9 [0,2,0,1,0,0|0,0,1]=4 39020 B12R1.272 O=CCCCOCCC1CCC1 51a6c1fd36525aa9d535792470b28d1f [0,2,0,1,0,0|0,0,1]=4 39021 B12R1.272 O=CCCCOCCC1CCO1 9ab1bd236a4a5376ceb5238d091c850e [0,2,0,1,0,0|0,0,1]=4 39022 B12R1.272 O=CCCCOCCC1COC1 3a20b503c07144b2091d47b0d53e6c4f [0,2,0,1,0,0|0,0,1]=4 39023 B12R1.272 O=CCCCOCCN1CCC1 7d3e2ed27754ef53f09ddd0145b9a1dd [0,2,0,1,0,0|0,0,1]=4 39024 B12R1.272 O=CCCCOCC[C@@H]1CCO1 538935af2ed74d3452ac7c1057b9bd93 [0,2,0,1,0,0|0,0,1]=4 39025 B12R1.272 O=CCCCOCC[C@H]1CCO1 2ab12134fa0ca34b7ba0c404af337544 [0,2,0,1,0,0|0,0,1]=4 39026 B12R1.272 O=CCCOCCOC1CCC1 f3bcc85d0fea1fa6d9ccf7305020d256 [0,2,0,1,0,0|0,0,1]=4 39027 B12R1.272 O=CCOCCOCC1CCC1 ecbaebd1580b93cc3363ac31d5d084bd [0,2,0,1,0,0|0,0,1]=4 39028 B12R1.272 OCCCCCCCN1CCC1 2e3fc716c67292ae9fd48f0d579579c0 [0,2,0,1,0,0|1,0,0]=4 39029 B12R1.272 OCCCCCCNC1CCC1 c42dcab62c0d8b6411d41e66c0093eb6 [0,2,0,1,0,0|1,0,0]=4 39030 B12R1.272 OCCCCCNCC1CCC1 1c834986f209fab7d660994cc94667ab [0,2,0,1,0,0|1,0,0]=4 39031 B12R1.272 OCCCCCNCC1CCO1 49d53e6ba7682810aaa88c12d4cc702b [0,2,0,1,0,0|1,0,0]=4 39032 B12R1.272 OCCCCCNCC1COC1 a288a06808f4c4e0260f0a9e5f32abe6 [0,2,0,1,0,0|1,0,0]=4 39033 B12R1.272 OCCCCCNC[C@@H]1CCO1 ef4d241a0a7965c2fc6e5719cd3855c7 [0,2,0,1,0,0|1,0,0]=4 39034 B12R1.272 OCCCCCNC[C@H]1CCO1 314dbe989e1db8034cb9eb9765212470 [0,2,0,1,0,0|1,0,0]=4 39035 B12R1.272 OCCCCNCCC1CCC1 011b2d604ca784c8d15705d1135df626 [0,2,0,1,0,0|1,0,0]=4 39036 B12R1.272 OCCCCNCCC1CCO1 2eccd1a748a032a0ad9b784a4a20e395 [0,2,0,1,0,0|1,0,0]=4 39037 B12R1.272 OCCCCNCCC1COC1 8bae13bd56f338272b3dfcff99fd4a44 [0,2,0,1,0,0|1,0,0]=4 39038 B12R1.272 OCCCCNCCN1CCC1 516f6f1fe5d811b8b7856152ac1c1bf4 [0,2,0,1,0,0|1,0,0]=4 39039 B12R1.272 OCCCCNCC[C@@H]1CCO1 92f1ef5cae9ca1513dcd9463d115cd20 [0,2,0,1,0,0|1,0,0]=4 39040 B12R1.272 OCCCNCCOC1CCC1 553efe1c53d9327f9977e40c40d3071e [0,2,0,1,0,0|0,0,0]=3 39041 B12R1.272 OCCCOCCCN1CCC1 7ff43c5cafef091b543ec70dfceb6a7d [0,2,0,1,0,0|1,0,0]=4 39042 B12R1.272 OCCCOCCNC1CCC1 765a78a6d00a789d12221c1f71b2f7bb [0,2,0,1,0,0|1,0,0]=4 39043 B12R1.272 OCCCOCCNC1COC1 9faff06b2fe6594771abccac1b2dfa99 [0,2,0,1,0,0|1,0,0]=4 39044 B12R1.272 OCCOCCCNC1CCC1 2e832a88baedc188a4ebd5d2596af4c9 [0,2,0,1,0,0|1,0,0]=4 39045 B12R1.272 OCCOCCNCC1CCC1 d9d1b9a0d6ed8ea69bcf5f3c47c6433d [0,2,0,1,0,0|1,0,0]=4 39046 B12R1.272 OCCSCCNCC1CCC1 a4a7b7843838de5628ce27e494dd2e1c [0,2,0,1,0,0|1,0,0]=4 39047 B12R1.272 SCCCCCCOC1CCC1 df6a53993d1d12561bd278614064f4c8 [0,2,0,1,0,0|0,0,0]=3 39048 B12R1.272 SCCCCCCOC1COC1 9b7a446e1032ec50ffa31cb65b904b96 [0,2,0,1,0,0|1,0,0]=4 39049 B12R1.272 SCCCCNCCC1CCC1 5994f09653530999c087953c5aa62f32 [0,2,0,1,0,0|1,0,0]=4 39050 B12R1.272 SCCCCNCCC1CCO1 c6727a08a41fdf71dae2b1e1ae944b2c [0,2,0,1,0,0|1,0,0]=4 39051 B12R1.272 SCCCCNCCC1COC1 386f82d83474f87af6903642f5ab364d [0,2,0,1,0,0|1,0,0]=4 39052 B12R1.272 SCCCCOCCC1CCC1 821dbf2b655cd9c5f7fcfd009072c5c5 [0,2,0,1,0,0|0,0,0]=3 39053 B12R1.272 SCCCCOCCC1CCO1 f04980410e54cac4b39f815e735f2f2d [0,2,0,1,0,0|0,0,0]=3 39054 B12R1.272 SCCCCOCCC1COC1 63ce1aa17677634a570237c36a6cdffe [0,2,0,1,0,0|0,0,0]=3 39055 B12R1.272 SCCCOCCCC1CCC1 c454aeb9fd91ead1eb5b3a6bb6f30860 [0,2,0,1,0,0|1,0,0]=4 39056 B12R1.272 SCCCOCCCC1COC1 07b3cbcd57b053e23222e0c056d5b997 [0,2,0,1,0,0|1,0,0]=4 39057 B12R1.272 SCCCOCCCN1CCC1 f24036df6cc090b339093d823031aa48 [0,2,0,1,0,0|1,0,0]=4 39058 B12R1.272 SCCCOCCOC1CCC1 21897e4bccc41798eaed3b27b07d87b7 [0,2,0,1,0,0|0,0,0]=3 39059 B12R1.272 SCCOCCNCC1CCC1 a87e58de3abc8818995e4928122ae870 [0,2,0,1,0,0|1,0,0]=4 39060 B12R1.272 SCCOCCOCC1CCC1 0826ab7ea7804ab33b0eeec9ccf606dd [0,2,0,1,0,0|0,0,0]=3 39061 B12R1.272 SCCOCCOCC1CCO1 504916297c19da5742ef790f328b48a4 [0,2,0,1,0,0|1,0,0]=4 39062 B12R1.272 SCCOCCOCC1COC1 3b65b7042cc95621ca9650213d1432b7 [0,2,0,1,0,0|1,0,0]=4 39063 B12R1.272 SCCOCCOC[C@@H]1CCO1 4e83cc94094f4c636764b8f97f187ccd [0,2,0,1,0,0|1,0,0]=4 39064 B12R1.272 SCCOCCOC[C@H]1CCO1 f948dd9ee7e6f1f3ed0061d69b21ddb1 [0,2,0,1,0,0|1,0,0]=4 39065 B12R1.284 CCCN1CCOCC1(C)CO bdb7cef83aae9aebbbdd14e96761abf0 [0,2,0,1,0,0|1,0,0]=4 39066 B12R1.291 CCCC1SCCN1C(C)CC 4fe63efbaeab6ad2d8355e154f630780 [0,2,0,1,0,0|0,1,0]=4 39067 B12R1.355 C=C1CC1COCCC(C)CC ca4df04e5f0fe50cd5701dce6752ee97 [0,2,0,1,0,0|0,0,1]=4 39068 B12R1.355 CCC(=O)OCOCC1CC1C 42bc8b80fa131f3561a4454ad1c4d282 [0,2,0,1,0,0|0,0,1]=4 39069 B12R1.355 CCC(=O)OCOC[C@@H]1C[C@@H]1C eb8cf1deb9f03e79886dbac262bf0f11 [0,2,0,1,0,0|0,0,1]=4 39070 B12R1.355 CCC(=O)OCOC[C@@H]1C[C@H]1C c0d3ce55862875089fc38aaadbb4bd53 [0,2,0,1,0,0|0,0,1]=4 39071 B12R1.355 CCC(=O)OCOC[C@H]1C[C@@H]1C 6773af5312b508fa7de115670606a045 [0,2,0,1,0,0|0,0,1]=4 39072 B12R1.355 CCC(C)CCOCC1CC1C bd2ebf6988921f8db514d52bbfd4d3c9 [0,2,0,1,0,0|0,0,0]=3 39073 B12R1.355 CCC(C)CCOC[C@@H]1C[C@@H]1C 6dd8012e9f5621ec090ad41e6647d0b6 [0,2,0,1,0,0|0,0,0]=3 39074 B12R1.355 CCC(C)CCOC[C@@H]1C[C@@H]1F 916830f698e3e6c126dcbc669ed4ee69 [0,2,0,1,0,0|0,0,0]=3 39075 B12R1.355 CCC(C)CCOC[C@@H]1C[C@H]1C e101aff17e77724b055f439d67da32d2 [0,2,0,1,0,0|0,0,0]=3 39076 B12R1.355 CCC(C)CCOC[C@@H]1C[C@H]1F 43d772f1a46941576e9aa65ebf51ec07 [0,2,0,1,0,0|0,0,0]=3 39077 B12R1.355 CCC(C)CCOC[C@H]1C[C@@H]1C e5e3fd3d6e1ed629f3c33116eb07660b [0,2,0,1,0,0|0,0,0]=3 39078 B12R1.355 CCC(C)CCOC[C@H]1C[C@@H]1F ab38aced0a17b48f2ed51c1516265647 [0,2,0,1,0,0|0,0,0]=3 39079 B12R1.355 CCC(C)CCOC[C@H]1C[C@H]1F 7da11d885fe8a2f0b669a8965e257a25 [0,2,0,1,0,0|0,0,0]=3 39080 B12R1.355 CCS(=O)CCOCC1CC1C 4de58f28cd9a4f96c906dd4f0c0818ad [0,2,0,1,0,0|0,0,0]=3 39081 B12R1.355 CCS(=O)CCOC[C@@H]1C[C@@H]1C af2f75c70df97f4684e67f791de005cc [0,2,0,1,0,0|0,0,0]=3 39082 B12R1.355 CCS(=O)CCOC[C@@H]1C[C@@H]1F e72229a9d402d350a841274cb8e9e627 [0,2,0,1,0,0|1,0,0]=4 39083 B12R1.355 CCS(=O)CCOC[C@@H]1C[C@H]1C e476b63c1650b44b39509c512a897bef [0,2,0,1,0,0|0,0,0]=3 39084 B12R1.355 CCS(=O)CCOC[C@@H]1C[C@H]1F be2afcb5e1bc634fa8acb3eaa7a24bdf [0,2,0,1,0,0|1,0,0]=4 39085 B12R1.355 CCS(=O)CCOC[C@H]1C[C@@H]1C 6b4759ea9de7e6e4eb2294715416c68d [0,2,0,1,0,0|0,0,0]=3 39086 B12R1.355 CCS(=O)CCOC[C@H]1C[C@@H]1F e77a323efcfb39412fa479529e8a5ced [0,2,0,1,0,0|1,0,0]=4 39087 B12R1.355 CCS(=O)CCOC[C@H]1C[C@H]1F 651d42f1e0813c8e256a28c1e9002abd [0,2,0,1,0,0|1,0,0]=4 39088 B12R1.355 CNC(=O)CCOCC1CC1C 13e2396a359056e6fe33ee1f6d0beab8 [0,2,0,1,0,0|0,0,1]=4 39089 B12R1.355 CNC(=O)CCOC[C@@H]1C[C@@H]1C 2e382d579e89bf34904f62b9b5c6ebf0 [0,2,0,1,0,0|0,0,1]=4 39090 B12R1.355 CNC(=O)CCOC[C@@H]1C[C@H]1C 4a3ce0b1bf16faf630dc2f43c4d96f90 [0,2,0,1,0,0|0,0,1]=4 39091 B12R1.355 CNC(=O)CCOC[C@H]1C[C@@H]1C 6b81dae8bee77db35e29edee62db59bf [0,2,0,1,0,0|0,0,1]=4 39092 B12R1.355 COC(=O)CCOCC1CC1C 2777ef149de82bae4105c17fac968151 [0,2,0,1,0,0|0,0,1]=4 39093 B12R1.355 COC(=O)CCOC[C@@H]1C[C@@H]1C 27037e7d06c1c065d7bece3f270f8422 [0,2,0,1,0,0|0,0,1]=4 39094 B12R1.355 COC(=O)CCOC[C@@H]1C[C@H]1C f26ecd01ea61c9822c507f85dff095a3 [0,2,0,1,0,0|0,0,1]=4 39095 B12R1.355 COC(=O)CCOC[C@H]1C[C@@H]1C 00640da3169be67da03304cc80b3fbb0 [0,2,0,1,0,0|0,0,1]=4 39096 B12R1.356 BrCC(Br)COCCC1CCC1 2c7212eb1a157471ffc8cdc8801f256a [0,2,0,1,0,0|1,0,0]=4 39097 B12R1.356 BrCC(Br)COCCC1CCO1 4471151ac9b574cf54a9df3490394271 [0,2,0,1,0,0|1,0,0]=4 39098 B12R1.356 BrCC(Br)COCCC1COC1 2c68998f22c5fd53be98f330707473db [0,2,0,1,0,0|1,0,0]=4 39099 B12R1.356 C#CC(C)NCCOC1CCC1 5110a9b0848969f3ddb4b7faea96acc1 [0,2,0,1,0,0|1,0,0]=4 39100 B12R1.356 C#CC(C)OCCOC1CCC1 5c45a10773370da7a3d04814a35595b6 [0,2,0,1,0,0|1,0,0]=4 39101 B12R1.356 C#C[C@@H](C)NCCOC1CCC1 061d79ab624e49ca89ea445301afaed6 [0,2,0,1,0,0|1,0,0]=4 39102 B12R1.356 C#C[C@@H](C)OCCOC1CCC1 fc6e9f229d29e2e5513a9273241212a8 [0,2,0,1,0,0|1,0,0]=4 39103 B12R1.356 C#C[C@H](C)NCCOC1CCC1 9083834fc8d83e1ef3bf1a6f4042196a [0,2,0,1,0,0|1,0,0]=4 39104 B12R1.356 C#C[C@H](C)OCCOC1CCC1 b39ef36095e35eb60a58654e733ac0b0 [0,2,0,1,0,0|1,0,0]=4 39105 B12R1.356 C=C(CC)COCCC1CCC1 4f14ae1102e35bec9ad383aa518b09d4 [0,2,0,1,0,0|0,0,1]=4 39106 B12R1.356 C=C(CC)COCCC1CCO1 dd96bc364a5ab5388ce2cf6bbf479ccc [0,2,0,1,0,0|0,0,1]=4 39107 B12R1.356 C=C(CC)COCCC1COC1 8c80adbeb56398caa98407b5113182e1 [0,2,0,1,0,0|0,0,1]=4 39108 B12R1.356 C=C(CC)COCCN1CCC1 6bcd92c7d5180f68444a781ba7382011 [0,2,0,1,0,0|0,0,1]=4 39109 B12R1.356 C=C(CC)COCC[C@@H]1CCO1 a65b8cda662673eb5278c4e7c425e6fa [0,2,0,1,0,0|0,0,1]=4 39110 B12R1.356 C=C(CC)COCC[C@H]1CCO1 53dcd7d378220efb11add1b2c9c3de80 [0,2,0,1,0,0|0,0,1]=4 39111 B12R1.356 C=CC(C)NCCOC1CCC1 f0559be06c3f9b3edfeb40e1e90ba361 [0,2,0,1,0,0|1,0,0]=4 39112 B12R1.356 C=CC(C)OCCOC1CCC1 073f44455dbe039fb170014d2523879d [0,2,0,1,0,0|1,0,0]=4 39113 B12R1.356 C=C[C@H](C)OCCOC1CCC1 2466959f360c94e467840aec1d89fdd2 [0,2,0,1,0,0|1,0,0]=4 39114 B12R1.356 CC(C#N)NCCOC1CCC1 e3d9da65d58382b3480f24c2c8e3f588 [0,2,0,1,0,0|1,0,0]=4 39115 B12R1.356 CC(C#N)OCCOC1CCC1 05a84d849ebea6d6f6e8ebc87e5bbb7b [0,2,0,1,0,0|1,0,0]=4 39116 B12R1.356 CC(C=O)OCCOC1CCC1 46128de382c03f4c4a9e15676ff8ea27 [0,2,0,1,0,0|1,0,0]=4 39117 B12R1.356 CC(CF)OCCOC1CCC1 bb0bc435b892462ad1f553348b3581d9 [0,2,0,1,0,0|1,0,0]=4 39118 B12R1.356 CC(CO)CCCNC1CCC1 1e304518f191698922faf605dd907c5a [0,2,0,1,0,0|1,0,0]=4 39119 B12R1.356 CC(CO)CCNCC1CCC1 27e087ba7fcf69b5064eedc52af6ea14 [0,2,0,1,0,0|1,0,0]=4 39120 B12R1.356 CC(CO)NCCOC1CCC1 0d3fcadf93c028e36e14ff532df5f83c [0,2,0,1,0,0|1,0,0]=4 39121 B12R1.356 CC(CS)OCCOC1CCC1 1a1f759e9c35958021c5a1c337ce67de [0,2,0,1,0,0|1,0,0]=4 39122 B12R1.356 CCC(=O)COCCC1CCC1 e22b04848207f2d7813288ba5071668b [0,2,0,1,0,0|0,0,1]=4 39123 B12R1.356 CCC(=O)COCCC1CCO1 0baa9053bec7ef97f59c527315dda045 [0,2,0,1,0,0|0,0,1]=4 39124 B12R1.356 CCC(=O)COCCC1COC1 e65f1d5a0f152177f18035f2bee6afd2 [0,2,0,1,0,0|0,0,1]=4 39125 B12R1.356 CCC(=O)COCCN1CCC1 d55b0d6003dd0af336d4e139c3598d74 [0,2,0,1,0,0|0,0,1]=4 39126 B12R1.356 CCC(=O)COCC[C@@H]1CCO1 3a6dc496f29b636d0a0e9df49337260f [0,2,0,1,0,0|0,0,1]=4 39127 B12R1.356 CCC(=O)COCC[C@H]1CCO1 fc1cc7252f6267ae3365eeead4996f68 [0,2,0,1,0,0|0,0,1]=4 39128 B12R1.356 CCC(=O)NCCOC1CCC1 cad781eb597e2ef737e2965e56425866 [0,2,0,1,0,0|0,0,1]=4 39129 B12R1.356 CCC(=O)OCCOC1CCC1 318a678381851abbbb4a1c39b14cc3d1 [0,2,0,1,0,0|0,0,1]=4 39130 B12R1.356 CCC(=O)OCOCC1CCC1 a9b4d8603f3ec42b1ac26988d3238934 [0,2,0,1,0,0|0,0,1]=4 39131 B12R1.356 CCC(C)CCCOC1CCC1 b689f875cd6b7785e753f574bdb211af [0,2,0,1,0,0|0,0,0]=3 39132 B12R1.356 CCC(C)CCCOC1COC1 025ff05369d85fb009617b3769d18083 [0,2,0,1,0,0|1,0,0]=4 39133 B12R1.356 CCC(C)CCNCC1CCC1 d67fe34126029b8e6214bee8486d9428 [0,2,0,1,0,0|1,0,0]=4 39134 B12R1.356 CCC(C)CCNCC1CCO1 9fd7b2cf0233f9144b9482da18a0ce43 [0,2,0,1,0,0|1,0,0]=4 39135 B12R1.356 CCC(C)CCNCC1COC1 496adbdedb4d6231925a3c43b63690e8 [0,2,0,1,0,0|1,0,0]=4 39136 B12R1.356 CCC(C)CCNC[C@@H]1CCO1 ed9fe37c6640cb0052b39a2cf9fb8acf [0,2,0,1,0,0|1,0,0]=4 39137 B12R1.356 CCC(C)CCNC[C@H]1CCO1 79fcd0fef37cc31f4487a20f44a8036c [0,2,0,1,0,0|1,0,0]=4 39138 B12R1.356 CCC(C)CCOCC1CCC1 90bcd35df7c2662cc11d0e12664e6d27 [0,2,0,1,0,0|0,0,0]=3 39139 B12R1.356 CCC(C)CCOCC1CCO1 c5c4c06e257ad296bee3f8f50c04b455 [0,2,0,1,0,0|0,0,0]=3 39140 B12R1.356 CCC(C)CCOCC1COC1 19846f5f1b048aa952bdfcce505560b2 [0,2,0,1,0,0|0,0,0]=3 39141 B12R1.356 CCC(C)CCOCC1CSC1 d36a7a8cd9e63c9dcd06ddea97ad024b [0,2,0,1,0,0|0,0,0]=3 39142 B12R1.356 CCC(C)CCOC[C@@H]1CCO1 63dd7c17dd317f836f5d6fc2cad0c3df [0,2,0,1,0,0|0,0,0]=3 39143 B12R1.356 CCC(C)CCOC[C@H]1CCO1 7d121a700cca221b3cc84d1b440b72f6 [0,2,0,1,0,0|0,0,0]=3 39144 B12R1.356 CCC(C)CNCCC1CCC1 6a02d3ecaf81bfa0c66c2d616a35169f [0,2,0,1,0,0|1,0,0]=4 39145 B12R1.356 CCC(C)CNCCC1CCO1 c74b84fcbbd51da104b2b390001df117 [0,2,0,1,0,0|1,0,0]=4 39146 B12R1.356 CCC(C)CNCCC1COC1 78b8d555c7f9a30ed4426593a9d98b4b [0,2,0,1,0,0|1,0,0]=4 39147 B12R1.356 CCC(C)CNCCN1CCC1 02558fe702d52e85bd407463759644b6 [0,2,0,1,0,0|1,0,0]=4 39148 B12R1.356 CCC(C)CNCC[C@@H]1CCO1 1832958a4c0a19a96507c3a109c49f2a [0,2,0,1,0,0|1,0,0]=4 39149 B12R1.356 CCC(C)COCCC1CCC1 5c674de15812018bc732de9a6916a560 [0,2,0,1,0,0|0,0,0]=3 39150 B12R1.356 CCC(C)COCCC1CCO1 92f072d78d800803540710955f19fe2c [0,2,0,1,0,0|0,0,0]=3 39151 B12R1.356 CCC(C)COCCC1COC1 196b4945655ad94ffe17812c918a8a6f [0,2,0,1,0,0|0,0,0]=3 39152 B12R1.356 CCC(C)COCCN1CCC1 5f77c84092e4440b2641e0f2e7ae904a [0,2,0,1,0,0|0,0,0]=3 39153 B12R1.356 CCC(C)COCC[C@@H]1CCO1 20288c82137590cbda2b2fed6e8bfdfc [0,2,0,1,0,0|0,0,0]=3 39154 B12R1.356 CCC(C)COCC[C@H]1CCO1 44fbf1710f1dad243233d91dcbe05fd7 [0,2,0,1,0,0|0,0,0]=3 39155 B12R1.356 CCC(C)NCCOC1CCC1 1c0e323cd4c2b87e7d03ac14ca6eee50 [0,2,0,1,0,0|0,0,0]=3 39156 B12R1.356 CCC(C)OCCCC1CCC1 c1a10edb3cffa7625888ed9a449bdd2c [0,2,0,1,0,0|1,0,0]=4 39157 B12R1.356 CCC(C)OCCOC1CCC1 fa78f9d178b8de6990836ca169a9e2a3 [0,2,0,1,0,0|0,0,0]=3 39158 B12R1.356 CCC(O)CNCCC1CCC1 ce833eb72d8734fcd9a05ec5be1cd9ae [0,2,0,1,0,0|1,0,0]=4 39159 B12R1.356 CCC(O)CNCCC1CCO1 87708426ec75c6e47ec6d01cf7abcb0e [0,2,0,1,0,0|1,0,0]=4 39160 B12R1.356 CCC(O)CNCCC1COC1 ed07eda49943d32260e57461a8eb00a3 [0,2,0,1,0,0|1,0,0]=4 39161 B12R1.356 CCC(O)CNCCN1CCC1 e009ddff6bc4f6454be7903c5a4098ee [0,2,0,1,0,0|1,0,0]=4 39162 B12R1.356 CCC(O)CNCC[C@@H]1CCO1 f8dbf72f66a1ed5bd28a0678ee5bdf52 [0,2,0,1,0,0|1,0,0]=4 39163 B12R1.356 CCC(S)CCOCC1CCC1 7ea7682b47168d3cb6df243faf403037 [0,2,0,1,0,0|0,0,0]=3 39164 B12R1.356 CCC(S)CCOCC1CCO1 059f21d210a07bb2dd0597131add476f [0,2,0,1,0,0|0,0,0]=3 39165 B12R1.356 CCC(S)CCOCC1COC1 f4aaa22ab8033dfc2a921d6fe4b1f397 [0,2,0,1,0,0|0,0,0]=3 39166 B12R1.356 CCC(S)CCOC[C@@H]1CCO1 7e5a4c8d727513a700fbf909fc09c147 [0,2,0,1,0,0|0,0,0]=3 39167 B12R1.356 CCC(S)CCOC[C@H]1CCO1 ddce61d64b93ea2a05baa04589a43ded [0,2,0,1,0,0|0,0,0]=3 39168 B12R1.356 CCN(C)CCCNC1CCC1 75c4c689f95e738f47b2ff0d6f6c9f79 [0,2,0,1,0,0|1,0,0]=4 39169 B12R1.356 CCN(C)CCCOC1CCC1 a6111062475de4105c20ae49470f58e6 [0,2,0,1,0,0|0,0,0]=3 39170 B12R1.356 CCN(C)CCCOC1COC1 f0db624337d8b3f3f699996afea94d9f [0,2,0,1,0,0|1,0,0]=4 39171 B12R1.356 CCS(=O)CCNCC1CCC1 796030e183686d4e9837c7b570669f4e [0,2,0,1,0,0|1,0,0]=4 39172 B12R1.356 CCS(=O)CCOCC1CCC1 4fffd3a4e8526b27df1a1a78e99e2db1 [0,2,0,1,0,0|0,0,0]=3 39173 B12R1.356 CCS(=O)CCOCC1CCO1 52cb242991461eb252f90d62680f36cc [0,2,0,1,0,0|1,0,0]=4 39174 B12R1.356 CCS(=O)CCOCC1COC1 e96f7594dcdaf943b2bf67b7102ed281 [0,2,0,1,0,0|1,0,0]=4 39175 B12R1.356 CCS(=O)CCOCC1CSC1 fbd1ff109ef2f01af818fefa36a97f3b [0,2,0,1,0,0|1,0,0]=4 39176 B12R1.356 CCS(=O)CCOC[C@@H]1CCO1 8677f40165d87b3039a4cd7e6df76f1a [0,2,0,1,0,0|1,0,0]=4 39177 B12R1.356 CCS(=O)CCOC[C@H]1CCO1 6f278038ec093363d57e29b448545f9d [0,2,0,1,0,0|1,0,0]=4 39178 B12R1.356 CC[C@@H](C)CNCCC1CCC1 7af855fe31ba2234dc3de01fc1d1fe6d [0,2,0,1,0,0|1,0,0]=4 39179 B12R1.356 CC[C@@H](C)CNCCC1CCO1 3ca8adad6e30fe3f15daf3ccf625a441 [0,2,0,1,0,0|1,0,0]=4 39180 B12R1.356 CC[C@@H](C)CNCCC1COC1 903c1820ebbd02be70e65107f7b1d799 [0,2,0,1,0,0|1,0,0]=4 39181 B12R1.356 CC[C@@H](C)CNCCN1CCC1 f8979a5513f4270d90389c20f0d34a4f [0,2,0,1,0,0|1,0,0]=4 39182 B12R1.356 CC[C@@H](C)CNCC[C@@H]1CCO1 ff13afd729b3e4d9e7a8f2ebf6695dbb [0,2,0,1,0,0|1,0,0]=4 39183 B12R1.356 CC[C@@H](C)COCCC1CCC1 a80d1fa0eac738e4ae6a4a8fbde7d4d4 [0,2,0,1,0,0|0,0,0]=3 39184 B12R1.356 CC[C@@H](C)COCCC1CCO1 98b110889adb8a9c56503cfc68750c92 [0,2,0,1,0,0|0,0,0]=3 39185 B12R1.356 CC[C@@H](C)COCCC1COC1 b7ecb086c172fa42ab7ab472fca31e4a [0,2,0,1,0,0|0,0,0]=3 39186 B12R1.356 CC[C@@H](C)COCCN1CCC1 5f70e142ec4fe7b0ac4cee260f1f12fc [0,2,0,1,0,0|0,0,0]=3 39187 B12R1.356 CC[C@@H](C)COCC[C@@H]1CCO1 2f1a7d6f1234e809bbc8d72a78f37208 [0,2,0,1,0,0|0,0,0]=3 39188 B12R1.356 CC[C@@H](C)COCC[C@H]1CCO1 5e9b8a11de920c69e435de3ffa5c5f82 [0,2,0,1,0,0|0,0,0]=3 39189 B12R1.356 CC[C@@H](C)NCCOC1CCC1 6a15b78660136ed3692620faca7581a3 [0,2,0,1,0,0|0,0,0]=3 39190 B12R1.356 CC[C@@H](C)OCCOC1CCC1 71534a52bf28f1c3a5dc4f30199d5b78 [0,2,0,1,0,0|0,0,0]=3 39191 B12R1.356 CC[C@@H](O)CNCCC1CCC1 72ab02fc15b0aa73486de9978582c466 [0,2,0,1,0,0|1,0,0]=4 39192 B12R1.356 CC[C@@H](O)CNCCC1CCO1 71efc05031f5da08c1c058d0bcd170b6 [0,2,0,1,0,0|1,0,0]=4 39193 B12R1.356 CC[C@@H](O)CNCCC1COC1 339af18557f8b964caf37ff30efd7734 [0,2,0,1,0,0|1,0,0]=4 39194 B12R1.356 CC[C@H](C)CCCOC1CCC1 e7cea535eda5c7df2d598b29b7ad9c87 [0,2,0,1,0,0|0,0,0]=3 39195 B12R1.356 CC[C@H](C)CCCOC1COC1 a05b1bd92c9ad2f0561ce722ec4a5944 [0,2,0,1,0,0|1,0,0]=4 39196 B12R1.356 CC[C@H](C)CCOCC1CCC1 b91e0ea5f4f5413f68d9e1683c4775f2 [0,2,0,1,0,0|0,0,0]=3 39197 B12R1.356 CC[C@H](C)CCOCC1CCO1 65e108d49cc74d2f6d10c43dddf553fd [0,2,0,1,0,0|0,0,0]=3 39198 B12R1.356 CC[C@H](C)CCOCC1COC1 d1cc327c865709fed50f2eeb74243fd4 [0,2,0,1,0,0|0,0,0]=3 39199 B12R1.356 CC[C@H](C)CCOC[C@@H]1CCO1 d324fbb8c7efc2edd6b92e962456928f [0,2,0,1,0,0|0,0,0]=3 39200 B12R1.356 CC[C@H](C)CCOC[C@H]1CCO1 73793d7f6b66fdd2295fb3a3dbcc75df [0,2,0,1,0,0|0,0,0]=3 39201 B12R1.356 CC[C@H](C)CNCCC1CCC1 50dfd37604efad6d33b7bd791accee55 [0,2,0,1,0,0|1,0,0]=4 39202 B12R1.356 CC[C@H](C)CNCCC1CCO1 bcd38c94ba553ae55647656d9de368f0 [0,2,0,1,0,0|1,0,0]=4 39203 B12R1.356 CC[C@H](C)CNCCC1COC1 c8f579872c5cbb21f4bcc417343f091a [0,2,0,1,0,0|1,0,0]=4 39204 B12R1.356 CC[C@H](C)CNCCN1CCC1 63c24d2cb8979de9ad1704b3be34a5fb [0,2,0,1,0,0|1,0,0]=4 39205 B12R1.356 CC[C@H](C)CNCC[C@@H]1CCO1 636881d9a462f3bf73fae16f09b22723 [0,2,0,1,0,0|1,0,0]=4 39206 B12R1.356 CC[C@H](C)COCCC1CCC1 072951085009ef824914cce00ab21218 [0,2,0,1,0,0|0,0,0]=3 39207 B12R1.356 CC[C@H](C)COCCC1CCO1 1ed894f347af28f56eea7258f08e385d [0,2,0,1,0,0|0,0,0]=3 39208 B12R1.356 CC[C@H](C)COCCC1COC1 81ab832248855c21ffb9346835de2cdf [0,2,0,1,0,0|0,0,0]=3 39209 B12R1.356 CC[C@H](C)COCCN1CCC1 048f38d8893f231e3d463df3e1c8662b [0,2,0,1,0,0|0,0,0]=3 39210 B12R1.356 CC[C@H](C)COCC[C@@H]1CCO1 93e1045da0b1ca9c90794f8acb2bd704 [0,2,0,1,0,0|0,0,0]=3 39211 B12R1.356 CC[C@H](C)COCC[C@H]1CCO1 adfe6f7bd0435e8463f5ca944c73e0f9 [0,2,0,1,0,0|0,0,0]=3 39212 B12R1.356 CC[C@H](C)NCCOC1CCC1 b4d7f2edffe716b09a4bbcca1da72416 [0,2,0,1,0,0|0,0,0]=3 39213 B12R1.356 CC[C@H](C)OCCOC1CCC1 ed6174c02d45666f7c83e6ecb1ba52af [0,2,0,1,0,0|0,0,0]=3 39214 B12R1.356 CN(C#N)CCOCC1CCC1 7fbf89c8e521244200185f7669c7b74e [0,2,0,1,0,0|1,0,0]=4 39215 B12R1.356 CN(C=O)CCOCC1CCC1 d383dadf8b3a899c3302971fb8007aba [0,2,0,1,0,0|1,0,0]=4 39216 B12R1.356 CNC(=O)CCCOC1CCC1 11379e5431fa419f86d44325aa4b2201 [0,2,0,1,0,0|0,0,1]=4 39217 B12R1.356 CNC(=O)CCOCC1CCC1 d082e5db787e4a70131e92194255f559 [0,2,0,1,0,0|0,0,1]=4 39218 B12R1.356 COC(=O)CCCOC1CCC1 5bcf90ca7ea91094425674b3afed8e27 [0,2,0,1,0,0|0,0,1]=4 39219 B12R1.356 COC(=O)CCOCC1CCC1 9d9f9712ba1de4816cd902cdf63334de [0,2,0,1,0,0|0,0,1]=4 39220 B12R1.356 COC(C)CCOCC1CCC1 e3ee5b5048c9e6c6706988147e8c0dae [0,2,0,1,0,0|0,0,0]=3 39221 B12R1.356 COC(C)CCOCC1CCO1 b3d9f8e96ed21cdf096b581f076bb82b [0,2,0,1,0,0|1,0,0]=4 39222 B12R1.356 COC(C)CCOCC1COC1 c78f94ce647709bf1ea3c96fecd7e78b [0,2,0,1,0,0|1,0,0]=4 39223 B12R1.356 COC(C)CCOC[C@@H]1CCO1 4a57e01a1c0d113c5fd79bf34f34bc90 [0,2,0,1,0,0|1,0,0]=4 39224 B12R1.356 COC(C)CCOC[C@H]1CCO1 8c6fb4468bd0a74d3e933f0e0ea96b2e [0,2,0,1,0,0|1,0,0]=4 39225 B12R1.356 COC(C)COCCC1CCC1 a7b2cacf4705389df4ab6aa358b80be5 [0,2,0,1,0,0|1,0,0]=4 39226 B12R1.356 COC(C)COCCC1CCO1 9a3c06f5f6b8d209dd40ef93e325da0f [0,2,0,1,0,0|1,0,0]=4 39227 B12R1.356 COC(C)COCCC1COC1 384788a8c02c92bdd8e6cdf8de6fa636 [0,2,0,1,0,0|1,0,0]=4 39228 B12R1.356 COC(C)COCCN1CCC1 62392615ab55196570c6aa1965e2a806 [0,2,0,1,0,0|1,0,0]=4 39229 B12R1.356 COC(C)COCC[C@@H]1CCO1 db115f0279807b6f9afa7b7b7f9e0018 [0,2,0,1,0,0|1,0,0]=4 39230 B12R1.356 COC(C)COCC[C@H]1CCO1 fe2a8c3eea63e75d2086494565c3d7cc [0,2,0,1,0,0|1,0,0]=4 39231 B12R1.356 CO[C@@H](C)COCCC1CCC1 2e0a01b117954649ac777e4bf4c792fc [0,2,0,1,0,0|1,0,0]=4 39232 B12R1.356 CO[C@@H](C)COCCC1CCO1 ac9f818e98c7bf9d6cc2e36ede268bdc [0,2,0,1,0,0|1,0,0]=4 39233 B12R1.356 CO[C@@H](C)COCCC1COC1 1f9fc6e4af8b4e59511cfe2a96bc5e51 [0,2,0,1,0,0|1,0,0]=4 39234 B12R1.356 CO[C@@H](C)COCCN1CCC1 5898190e8f4e7a996146ee55db58bdbf [0,2,0,1,0,0|1,0,0]=4 39235 B12R1.356 CO[C@@H](C)COCC[C@@H]1CCO1 6d5b180ebe9597d98a62d5b7ad1290ea [0,2,0,1,0,0|1,0,0]=4 39236 B12R1.356 CO[C@@H](C)COCC[C@H]1CCO1 0736f10684135f2f4a21ea20df54c90f [0,2,0,1,0,0|1,0,0]=4 39237 B12R1.356 CO[C@H](C)COCCC1CCC1 df31eb912b87b7847719dfb3cb8da9d1 [0,2,0,1,0,0|1,0,0]=4 39238 B12R1.356 CO[C@H](C)COCCC1CCO1 f91d5f50d78f56370831c65c7276669b [0,2,0,1,0,0|1,0,0]=4 39239 B12R1.356 CO[C@H](C)COCCC1COC1 a17f948122fd239d0c8bb35941bd4b0a [0,2,0,1,0,0|1,0,0]=4 39240 B12R1.356 CO[C@H](C)COCCN1CCC1 b95218c6ec64fc8d4a37b8e3d5053d6f [0,2,0,1,0,0|1,0,0]=4 39241 B12R1.356 CO[C@H](C)COCC[C@@H]1CCO1 8fd73783ddc65c240a4dac53a4795319 [0,2,0,1,0,0|1,0,0]=4 39242 B12R1.356 CO[C@H](C)COCC[C@H]1CCO1 3a2fa92b15d4395b309dfb7d88641b32 [0,2,0,1,0,0|1,0,0]=4 39243 B12R1.356 C[C@@H](CO)CCNCC1CCC1 b182a5921ce9e72c39e2709d69c4fb3d [0,2,0,1,0,0|1,0,0]=4 39244 B12R1.356 C[C@@H](CO)NCCOC1CCC1 bbacb5fdb3b3b04c804b1347c54f9faf [0,2,0,1,0,0|1,0,0]=4 39245 B12R1.356 C[C@H](C=O)OCCOC1CCC1 75352736843400cb7cb6800f6ee97889 [0,2,0,1,0,0|1,0,0]=4 39246 B12R1.356 C[C@H](CO)NCCOC1CCC1 bc3501ec01c16c1ceef696d72c8a4797 [0,2,0,1,0,0|1,0,0]=4 39247 B12R1.356 C[C@H](CS)OCCOC1CCC1 7b57d668983e66ee49062969a14b129b [0,2,0,1,0,0|1,0,0]=4 39248 B12R1.356 ClCC(Cl)COCCC1CCC1 3aa7a95435becba66f32295f613dc229 [0,2,0,1,0,0|1,0,0]=4 39249 B12R1.356 ClCC(Cl)COCCC1CCO1 c2570932281904a2aa3c43d0a85d1648 [0,2,0,1,0,0|1,0,0]=4 39250 B12R1.356 ClCC(Cl)COCCC1COC1 8b82d31db93f5d0a8a88a14d1f9f9fb6 [0,2,0,1,0,0|1,0,0]=4 39251 B12R1.356 OCC(O)CCNCC1CCC1 1724e47977467b6abcbb5315b8a0cfec [0,2,0,1,0,0|1,0,0]=4 39252 B12R1.356 OCC(O)COCCC1CCC1 fce7456876246cf6045b761dd4045bbd [0,2,0,1,0,0|1,0,0]=4 39253 B12R1.356 OCC(O)COCCC1CCO1 97171d54c46c1b3e8039f7ff73dcb428 [0,2,0,1,0,0|1,0,0]=4 39254 B12R1.356 OCC(O)COCCC1COC1 3114f854ed184d2ee8f998563090847c [0,2,0,1,0,0|1,0,0]=4 39255 B12R1.356 OCC(O)COCCN1CCC1 194fd9d67cea0a56813d801a7eb2c380 [0,2,0,1,0,0|1,0,0]=4 39256 B12R1.356 OCC(O)COCC[C@@H]1CCO1 48a7cfc77873063a160cab97dc4ec5b7 [0,2,0,1,0,0|1,0,0]=4 39257 B12R1.356 OCC(O)COCC[C@H]1CCO1 5d52a8d8acca79ebb911ee8132d4a43a [0,2,0,1,0,0|1,0,0]=4 39258 B12R1.356 OC[C@@H](O)COCCC1CCC1 80cccd07e3e1c19c8397d9fb087e86be [0,2,0,1,0,0|1,0,0]=4 39259 B12R1.356 OC[C@@H](O)COCCC1CCO1 f6369f96291c66d7f3872542ced7d978 [0,2,0,1,0,0|1,0,0]=4 39260 B12R1.356 OC[C@@H](O)COCCC1COC1 de80a04973a19bd6d86b1f7ce02ca498 [0,2,0,1,0,0|1,0,0]=4 39261 B12R1.356 OC[C@@H](O)COCCN1CCC1 3fd45b3c8119dfd299bc08c32741f374 [0,2,0,1,0,0|1,0,0]=4 39262 B12R1.356 OC[C@@H](O)COCC[C@@H]1CCO1 2cdf98132f7a3ceea2d5ea116995201e [0,2,0,1,0,0|1,0,0]=4 39263 B12R1.356 OC[C@@H](O)COCC[C@H]1CCO1 df11c529e1f8247b4386259a7a5b6c0f [0,2,0,1,0,0|1,0,0]=4 39264 B12R1.356 OC[C@H](O)COCCC1CCC1 b1143c0e6549bdb0d97108f50b3354cb [0,2,0,1,0,0|1,0,0]=4 39265 B12R1.356 OC[C@H](O)COCCC1CCO1 22644fd97c03f83bc02d319f8d2505c0 [0,2,0,1,0,0|1,0,0]=4 39266 B12R1.356 OC[C@H](O)COCCC1COC1 3027b67cebcf912aedd40fea310bf5c2 [0,2,0,1,0,0|1,0,0]=4 39267 B12R1.356 OC[C@H](O)COCCN1CCC1 c2651e88dacd80e349e8207cd1d03365 [0,2,0,1,0,0|1,0,0]=4 39268 B12R1.356 OC[C@H](O)COCC[C@@H]1CCO1 ca372aaf071588a1930b330bef2bc709 [0,2,0,1,0,0|1,0,0]=4 39269 B12R1.356 OC[C@H](O)COCC[C@H]1CCO1 b8dc2dce8415b04961847504f5f02818 [0,2,0,1,0,0|1,0,0]=4 39270 B12R1.356 SCC(S)COCCC1CCC1 41f42238df158b81230b1cd19e687074 [0,2,0,1,0,0|1,0,0]=4 39271 B12R1.356 SCC(S)COCCC1CCO1 fff8644e41da5c56144e48996d4fd31b [0,2,0,1,0,0|1,0,0]=4 39272 B12R1.356 SCC(S)COCCC1COC1 bc416399489b11393c6a2621b4d53461 [0,2,0,1,0,0|1,0,0]=4 39273 B12R1.360 BrCC(Br)COCCOC1CC1 73044cd17554f7d3e896da32077a5c6c [0,2,0,1,0,0|1,0,0]=4 39274 B12R1.360 C#CC(C)OCCOCC1CC1 12a6b9009f334dd92db7a6840c7028f4 [0,2,0,1,0,0|1,0,0]=4 39275 B12R1.360 C=C(CC)COCCCC1CC1 b2fd71f662eaca110b4b68dfcdb79f78 [0,2,0,1,0,0|0,0,1]=4 39276 B12R1.360 C=C(CC)COCCOC1CC1 bb02c0b6b947ecc84bd91c9765df22b8 [0,2,0,1,0,0|0,0,1]=4 39277 B12R1.360 C=CC(C)OCCOCC1CC1 ee87e16a304993ad704325dc52739a05 [0,2,0,1,0,0|1,0,0]=4 39278 B12R1.360 CC(C#N)OCCOCC1CC1 be4c4e6e575c812a9fecfddfa501f694 [0,2,0,1,0,0|1,0,0]=4 39279 B12R1.360 CC(C=O)OCCOCC1CC1 37bb2722cb4710b0bbbd7811fbedf056 [0,2,0,1,0,0|1,0,0]=4 39280 B12R1.360 CC(CO)CCCNCC1CC1 aa39fe87bc9f256e50a76be6b99a965b [0,2,0,1,0,0|1,0,0]=4 39281 B12R1.360 CC(CO)CCNCCC1CC1 f209b530f4b47e47bb4eeb756b3acb10 [0,2,0,1,0,0|1,0,0]=4 39282 B12R1.360 CCC(=O)COCCCC1CC1 17c75975156ca61963ca01472bcc0eec [0,2,0,1,0,0|0,0,1]=4 39283 B12R1.360 CCC(=O)COCCOC1CC1 4b1e295fd818c071a975d19dea7cf28e [0,2,0,1,0,0|0,0,1]=4 39284 B12R1.360 CCC(=O)NCCOCC1CC1 cff9e7f03ff93ba0b1908b1e3520b7a7 [0,2,0,1,0,0|0,0,1]=4 39285 B12R1.360 CCC(=O)OCCOCC1CC1 c05457c6c5d1a7b7b980e5abc7289f5b [0,2,0,1,0,0|0,0,1]=4 39286 B12R1.360 CCC(=O)OCOCCC1CC1 5637349df202e9bb1ca44924d359e355 [0,2,0,1,0,0|0,0,1]=4 39287 B12R1.360 CCC(C)CCCCOC1CC1 f0ceeed58d738b8b648ae9a49b16d184 [0,2,0,1,0,0|1,0,0]=4 39288 B12R1.360 CCC(C)CCCOCC1CC1 a657c8fd25569362f2f5d79acf42aa15 [0,2,0,1,0,0|0,0,0]=3 39289 B12R1.360 CCC(C)CCNCCC1CC1 52c3a08b98dee760f96d3bcf52f1bbfe [0,2,0,1,0,0|1,0,0]=4 39290 B12R1.360 CCC(C)CCNCCN1CC1 07255c7f498d67763fe4a70137244d0d [0,2,0,1,0,0|1,0,0]=4 39291 B12R1.360 CCC(C)CCOCCC1CC1 18831763a9b6cf0c68b9a5d6f6d7744d [0,2,0,1,0,0|0,0,0]=3 39292 B12R1.360 CCC(C)CCOCCN1CC1 fd0b92702d09d334a13cf75921411728 [0,2,0,1,0,0|0,0,0]=3 39293 B12R1.360 CCC(C)CNCCOC1CC1 5378cb3c06b850aad7105d80da8534e8 [0,2,0,1,0,0|1,0,0]=4 39294 B12R1.360 CCC(C)COC/C=C/C1CC1 48757d459852f9d594d8a9708eba6e1b [0,2,0,1,0,0|0,0,1]=4 39295 B12R1.360 CCC(C)COCC#CC1CC1 123c3223dc028319fc04ce1a5cff15ab [0,2,0,1,0,0|0,0,1]=4 39296 B12R1.360 CCC(C)COCCCC1CC1 c87ff8e86b2b89acd32a6089f0c9628f [0,2,0,1,0,0|0,0,0]=3 39297 B12R1.360 CCC(C)COCCOC1CC1 7aa3a03096abecb6744e313bd51b92bd [0,2,0,1,0,0|0,0,0]=3 39298 B12R1.360 CCC(C)NCCSCC1CC1 f8a31d16e19990a47f55ca1b600d541c [0,2,0,1,0,0|0,1,0]=4 39299 B12R1.360 CCC(C)OCCOCC1CC1 b04ca67883495ca8e1d3921e47cae1c2 [0,2,0,1,0,0|0,0,0]=3 39300 B12R1.360 CCC(O)CNCCOC1CC1 eac0285482b41781c64cc023b19aa132 [0,2,0,1,0,0|1,0,0]=4 39301 B12R1.360 CCC(S)CCOCCC1CC1 a6a85f7a6c8747eb4cef88b4e5250d67 [0,2,0,1,0,0|0,0,0]=3 39302 B12R1.360 CCN(C)CCCNCC1CC1 80568f3df108ffde4a7baac965447e27 [0,2,0,1,0,0|1,0,0]=4 39303 B12R1.360 CCN(C)CCCOCC1CC1 4b3d6aaab7c4c3bfbcfa73426728dd2e [0,2,0,1,0,0|0,0,0]=3 39304 B12R1.360 CCS(=O)CCNCCC1CC1 54fd042a94a0357ffddfe6de3e7f1a8a [0,2,0,1,0,0|1,0,0]=4 39305 B12R1.360 CCS(=O)CCOCCC1CC1 e7fc9305a7feb327e190b9e0290fd0fc [0,2,0,1,0,0|0,0,0]=3 39306 B12R1.360 CCS(=O)CCOCCN1CC1 f79ee4d62b633f64b3d2d7b458f9dcc8 [0,2,0,1,0,0|1,0,0]=4 39307 B12R1.360 CC[C@@H](C)CNCCOC1CC1 1467cf1653bedb315c7ca3bd8778c3d1 [0,2,0,1,0,0|1,0,0]=4 39308 B12R1.360 CC[C@@H](C)COC/C=C/C1CC1 a89930352c02e5efb1f18b6da9d4ed4b [0,2,0,1,0,0|0,0,1]=4 39309 B12R1.360 CC[C@@H](C)COCC#CC1CC1 344f8ddcacc2c1f36315db5924b8f354 [0,2,0,1,0,0|0,0,1]=4 39310 B12R1.360 CC[C@@H](C)COCCCC1CC1 e8abeaf774a3529dc4e335305294a9f8 [0,2,0,1,0,0|0,0,0]=3 39311 B12R1.360 CC[C@@H](C)COCCOC1CC1 0839d24ad15deb619fb2dfb8965e0935 [0,2,0,1,0,0|0,0,0]=3 39312 B12R1.360 CC[C@@H](O)CNCCOC1CC1 874a4a9781b27af741c63fb6716a9f5d [0,2,0,1,0,0|1,0,0]=4 39313 B12R1.360 CC[C@H](C)CCCCOC1CC1 7564c40ba171aa11cbda7729f4efa7b8 [0,2,0,1,0,0|1,0,0]=4 39314 B12R1.360 CC[C@H](C)CCCOCC1CC1 cf0bbae94e6b31bb15d86b02baec1a11 [0,2,0,1,0,0|0,0,0]=3 39315 B12R1.360 CC[C@H](C)CCOCCC1CC1 cfcf8fc4c2c3a30b6f72ab9a0fbc94f1 [0,2,0,1,0,0|0,0,0]=3 39316 B12R1.360 CC[C@H](C)CNCCOC1CC1 2bb14ebb3a85fabc39e624aeeb08a468 [0,2,0,1,0,0|1,0,0]=4 39317 B12R1.360 CC[C@H](C)COC/C=C/C1CC1 79609e469cf3d25bc6e73a10056701f5 [0,2,0,1,0,0|0,0,1]=4 39318 B12R1.360 CC[C@H](C)COCC#CC1CC1 c58903c655d32f007374826556b4c5aa [0,2,0,1,0,0|0,0,1]=4 39319 B12R1.360 CC[C@H](C)COCCCC1CC1 7a2f390ea20529638ed4da7663356766 [0,2,0,1,0,0|0,0,0]=3 39320 B12R1.360 CC[C@H](C)COCCOC1CC1 747c223a9f4d1657239660f9e65a5ae3 [0,2,0,1,0,0|0,0,0]=3 39321 B12R1.360 CN(C#N)CCOCCC1CC1 76b7d55dc6d44b402b72cb9c3644fd7a [0,2,0,1,0,0|1,0,0]=4 39322 B12R1.360 CN(C=O)CCOCCC1CC1 20aa69046141347a6f45785faada2527 [0,2,0,1,0,0|1,0,0]=4 39323 B12R1.360 CNC(=O)CCCOCC1CC1 6792040048701f2b903d83bafb6c09ec [0,2,0,1,0,0|0,0,1]=4 39324 B12R1.360 CNC(=O)CCOCCC1CC1 f38fff5fda5a203a6ee25ddeeb7a58eb [0,2,0,1,0,0|0,0,1]=4 39325 B12R1.360 COC(=O)CCCOCC1CC1 593a163b4d42fcbf3595fd711a0b6a1c [0,2,0,1,0,0|0,0,1]=4 39326 B12R1.360 COC(=O)CCOCCC1CC1 811be3747c41913b2af0509f2f583a5f [0,2,0,1,0,0|0,0,1]=4 39327 B12R1.360 COC(C)CCOCCC1CC1 98aa96175e30d665069414f74a50d19f [0,2,0,1,0,0|0,0,0]=3 39328 B12R1.360 COC(C)COCCCC1CC1 89ba95b031a4a5505a66dbc014009900 [0,2,0,1,0,0|1,0,0]=4 39329 B12R1.360 COC(C)COCCOC1CC1 d6333614c58655310e0ceb27d608c109 [0,2,0,1,0,0|1,0,0]=4 39330 B12R1.360 CO[C@@H](C)COCCCC1CC1 908a0865b59e895e844137ce5dff36f3 [0,2,0,1,0,0|1,0,0]=4 39331 B12R1.360 CO[C@@H](C)COCCOC1CC1 58b64306a60d812c0b666b35ac048b45 [0,2,0,1,0,0|1,0,0]=4 39332 B12R1.360 CO[C@H](C)COCCCC1CC1 0d11ec3c8c474865160b4bd1ca21c092 [0,2,0,1,0,0|1,0,0]=4 39333 B12R1.360 CO[C@H](C)COCCOC1CC1 9c30ec5b009dad0af3ae416c345f3089 [0,2,0,1,0,0|1,0,0]=4 39334 B12R1.360 C[C@@H](CO)CCNCCC1CC1 8d5afb0bde2809ee45659e8bbd7e9938 [0,2,0,1,0,0|1,0,0]=4 39335 B12R1.360 C[C@H](C=O)OCCOCC1CC1 c68c58bd393f620785d70953e3df8f90 [0,2,0,1,0,0|1,0,0]=4 39336 B12R1.360 ClCC(Cl)COCCOC1CC1 634ea720ceff8921007f6888138a43ff [0,2,0,1,0,0|1,0,0]=4 39337 B12R1.360 OCC(O)CCNCCC1CC1 76ab2602aa7ccec45ead847b208e9b04 [0,2,0,1,0,0|1,0,0]=4 39338 B12R1.360 OCC(O)COCCCC1CC1 3e39acc8482ac77e2c53f654d1efee68 [0,2,0,1,0,0|1,0,0]=4 39339 B12R1.360 OCC(O)COCCOC1CC1 45b7c311ae033907f4bf885dd7e4db8d [0,2,0,1,0,0|1,0,0]=4 39340 B12R1.360 OC[C@@H](O)COCCCC1CC1 5b66ca7edc9fa1a0b0cf6dde9d210a46 [0,2,0,1,0,0|1,0,0]=4 39341 B12R1.360 OC[C@@H](O)COCCOC1CC1 445758d7420409a09bc4280c7f47a69a [0,2,0,1,0,0|1,0,0]=4 39342 B12R1.360 OC[C@H](O)COCCCC1CC1 03277a1a87568ffa9d85e17b2f6d307c [0,2,0,1,0,0|1,0,0]=4 39343 B12R1.360 OC[C@H](O)COCCOC1CC1 58f2af3d0f71b68d01639c6dfadec110 [0,2,0,1,0,0|1,0,0]=4 39344 B12R1.360 SCC(S)COCCOC1CC1 46f2e6391b0c8cace6de793319608cb2 [0,2,0,1,0,0|1,0,0]=4 39345 B12R1.364 C=C(CC)COCC1CCC1F e3f1db0609edd960c283d2e7c8f59eac [0,2,0,1,0,0|0,0,1]=4 39346 B12R1.364 C=C(CC)COCC1CCN1C 6473812ce4bee50590832a7039a9cfff [0,2,0,1,0,0|0,0,1]=4 39347 B12R1.364 C=C(CC)COC[C@@H]1CCN1C 77dd8dfa381a559cf283e1af2d9db626 [0,2,0,1,0,0|0,0,1]=4 39348 B12R1.364 C=C(CC)COC[C@H]1CCN1C e962117dece9ff010a2c8eb968a128bf [0,2,0,1,0,0|0,0,1]=4 39349 B12R1.364 CC(CO)CCN[C@@H]1CC[C@H]1C c8392e30e13b82458de1f37afaa20a1e [0,2,0,1,0,0|1,0,0]=4 39350 B12R1.364 CC(CO)CCN[C@H]1CC[C@H]1C 64cd226ec1edbea29483f74df90f65e3 [0,2,0,1,0,0|1,0,0]=4 39351 B12R1.364 CCC(=O)COCC1CCC1F e573ea8e2d83105d913c22b91e52eb16 [0,2,0,1,0,0|0,0,1]=4 39352 B12R1.364 CCC(=O)COCC1CCN1C eff144cb11219ebb622e08d29f4bf9c2 [0,2,0,1,0,0|0,0,1]=4 39353 B12R1.364 CCC(=O)COC[C@@H]1CCN1C 2a44d45a186ad812e74574614ce9485e [0,2,0,1,0,0|0,0,1]=4 39354 B12R1.364 CCC(=O)COC[C@H]1CCN1C ad6531072836bd19aa3e61dbb9afe4b5 [0,2,0,1,0,0|0,0,1]=4 39355 B12R1.364 CCC(C)CCNC1CCC1F 52ff8692dd0c375e21ca0f5e921ac771 [0,2,0,1,0,0|1,0,0]=4 39356 B12R1.364 CCC(C)CCNC1CCC1O bdfd061b1bab75384171afe9ca35d298 [0,2,0,1,0,0|1,0,0]=4 39357 B12R1.364 CCC(C)CCNC1COC1C 9bc7c849e1f2b1be2840a033f671a89c [0,2,0,1,0,0|1,0,0]=4 39358 B12R1.364 CCC(C)CCN[C@@H]1CC[C@@H]1O 630941aeda19e9fb40b2bc376cd4f314 [0,2,0,1,0,0|1,0,0]=4 39359 B12R1.364 CCC(C)CCN[C@@H]1CC[C@H]1C fd5e8304711f7b18ea716acc0f5585de [0,2,0,1,0,0|1,0,0]=4 39360 B12R1.364 CCC(C)CCN[C@@H]1CC[C@H]1O c69d4861dfe6d786a14bef72a2671a9e [0,2,0,1,0,0|1,0,0]=4 39361 B12R1.364 CCC(C)CCN[C@H]1CC[C@@H]1O 0105b81864f83fa4808e84b7f2f34f33 [0,2,0,1,0,0|1,0,0]=4 39362 B12R1.364 CCC(C)CCN[C@H]1CC[C@H]1C f23025d3c57c9b5032e469174c286f93 [0,2,0,1,0,0|1,0,0]=4 39363 B12R1.364 CCC(C)CCN[C@H]1CC[C@H]1O 7a29c38d2f0097ecb6548a72eeee03f0 [0,2,0,1,0,0|1,0,0]=4 39364 B12R1.364 CCC(C)CCOC1CCC1=O 211e6f102b3fca4a362888387e7e9bd9 [0,2,0,1,0,0|0,0,1]=4 39365 B12R1.364 CCC(C)CCOC1COC1C 701d5ec1594555c4311a5953adad2cb5 [0,2,0,1,0,0|0,0,0]=3 39366 B12R1.364 CCC(C)CNCC1CCN1C 3cf14ce556adcf8d7ab811b95f4e755c [0,2,0,1,0,0|1,0,0]=4 39367 B12R1.364 CCC(C)COCC1CCC1=O 5de9ff1aaeee941ceeeb298fd8ea0330 [0,2,0,1,0,0|0,0,1]=4 39368 B12R1.364 CCC(C)COCC1CCC1F cf7a900ba0f18aae29e7523bd9e7e6c8 [0,2,0,1,0,0|0,0,0]=3 39369 B12R1.364 CCC(C)COCC1CCN1C bfd0f3d1da9af481fa791bd0bf27df33 [0,2,0,1,0,0|0,0,0]=3 39370 B12R1.364 CCC(C)COC[C@@H]1CCN1C 753e039909357821dc55726cbece677b [0,2,0,1,0,0|0,0,0]=3 39371 B12R1.364 CCC(C)COC[C@H]1CCN1C 05101b199c5b8fd2c156dc67e3bedcae [0,2,0,1,0,0|0,0,0]=3 39372 B12R1.364 CCC(O)CNCC1CCN1C c088962fb2bec6e86930ce670b39a576 [0,2,0,1,0,0|1,0,0]=4 39373 B12R1.364 CCS(=O)CCN[C@@H]1CC[C@H]1C fcaba6bd2c3b46aeddc13d56c83ae1e6 [0,2,0,1,0,0|1,0,0]=4 39374 B12R1.364 CCS(=O)CCN[C@H]1CC[C@H]1C 2c76cdef7d94a805c54eafb524d60d41 [0,2,0,1,0,0|1,0,0]=4 39375 B12R1.364 CCS(=O)CCOC1COC1C 53f5ee701b02518e6ad76e855b76a5bf [0,2,0,1,0,0|1,0,0]=4 39376 B12R1.364 CC[C@@H](C)CNCC1CCN1C 27b21c08c155ec330c3b198b3560a3b0 [0,2,0,1,0,0|1,0,0]=4 39377 B12R1.364 CC[C@@H](C)COCC1CCC1=O 2e4848e901c60f00d1516367d01568e5 [0,2,0,1,0,0|0,0,1]=4 39378 B12R1.364 CC[C@@H](C)COCC1CCC1F 2baf149850ed3d3b8486b9d666c46326 [0,2,0,1,0,0|0,0,0]=3 39379 B12R1.364 CC[C@@H](C)COCC1CCN1C 23cc9f2dadb5df1ab02c764cc1673d55 [0,2,0,1,0,0|0,0,0]=3 39380 B12R1.364 CC[C@@H](C)COC[C@@H]1CCN1C 51022745d67512882b4bb55ebed92a74 [0,2,0,1,0,0|0,0,0]=3 39381 B12R1.364 CC[C@@H](C)COC[C@H]1CCN1C 40f4617da9d49b286a08b58c10078661 [0,2,0,1,0,0|0,0,0]=3 39382 B12R1.364 CC[C@H](C)CNCC1CCN1C 6862b45d07e775cd79befb562616b101 [0,2,0,1,0,0|1,0,0]=4 39383 B12R1.364 CC[C@H](C)COCC1CCC1=O 422d027c89b65793549abffb626d864b [0,2,0,1,0,0|0,0,1]=4 39384 B12R1.364 CC[C@H](C)COCC1CCC1F 7f64de08aafb2a06727ea62506293ef7 [0,2,0,1,0,0|0,0,0]=3 39385 B12R1.364 CC[C@H](C)COCC1CCN1C 5444d7d0ae42747647ebfcd82d734ea8 [0,2,0,1,0,0|0,0,0]=3 39386 B12R1.364 CC[C@H](C)COC[C@@H]1CCN1C 1cd5c27be28f14177a620442fe289a9b [0,2,0,1,0,0|0,0,0]=3 39387 B12R1.364 CC[C@H](C)COC[C@H]1CCN1C 6cd2a052f081edae9f8cdf419e06e7db [0,2,0,1,0,0|0,0,0]=3 39388 B12R1.364 CN1CCC1COCC(O)CO b7962b2ddf2fcdc997452db0f4ce7b67 [0,2,0,1,0,0|1,0,0]=4 39389 B12R1.364 CN1CCC1COC[C@@H](O)CO 0f104dc6f11978650b939d174ce47c48 [0,2,0,1,0,0|1,0,0]=4 39390 B12R1.364 CN1CCC1COC[C@H](O)CO 8b6d22ef41679a745ca7424238f149f0 [0,2,0,1,0,0|1,0,0]=4 39391 B12R1.364 CN1CC[C@@H]1COCC(O)CO 254ea84d846065d591d781c17cd0875d [0,2,0,1,0,0|1,0,0]=4 39392 B12R1.364 CN1CC[C@@H]1COC[C@@H](O)CO 4d84f819e851a5d540babfd67a5d4844 [0,2,0,1,0,0|1,0,0]=4 39393 B12R1.364 CN1CC[C@@H]1COC[C@H](O)CO e39e47f715c5ab1d043ad0f248c75806 [0,2,0,1,0,0|1,0,0]=4 39394 B12R1.364 CN1CC[C@H]1COCC(O)CO edca2d48c9930c125e172dd7a7a984a7 [0,2,0,1,0,0|1,0,0]=4 39395 B12R1.364 CN1CC[C@H]1COC[C@@H](O)CO b9149dd5f2fc8dd43ef79fd5c3628e77 [0,2,0,1,0,0|1,0,0]=4 39396 B12R1.364 CN1CC[C@H]1COC[C@H](O)CO 7eba6b62c6253440899c2a39dec98c8f [0,2,0,1,0,0|1,0,0]=4 39397 B12R1.364 COC(C)COCC1CCC1F 7bd262797f5ae9bd04792419db8c64ea [0,2,0,1,0,0|1,0,0]=4 39398 B12R1.364 COC(C)COCC1CCN1C 3613fa3bd94faf6989c684a1b9431610 [0,2,0,1,0,0|1,0,0]=4 39399 B12R1.364 COC(C)COC[C@@H]1CCN1C d73191a47b3b6208d918486f17544f53 [0,2,0,1,0,0|1,0,0]=4 39400 B12R1.364 COC(C)COC[C@H]1CCN1C cc7edd10fe0633f7765237bebf5a189c [0,2,0,1,0,0|1,0,0]=4 39401 B12R1.364 CO[C@@H](C)COCC1CCC1F 16468b7caae96507fe6b1d8500b2d4a8 [0,2,0,1,0,0|1,0,0]=4 39402 B12R1.364 CO[C@@H](C)COCC1CCN1C 9cc81ffa86c0f15c21e0553ddb1be8bf [0,2,0,1,0,0|1,0,0]=4 39403 B12R1.364 CO[C@@H](C)COC[C@@H]1CCN1C a6a5da8609921efadc079c16f79263bb [0,2,0,1,0,0|1,0,0]=4 39404 B12R1.364 CO[C@@H](C)COC[C@H]1CCN1C 6381537a4b903decb59eb339d6f6a61d [0,2,0,1,0,0|1,0,0]=4 39405 B12R1.364 CO[C@H](C)COCC1CCC1F c145cefd8c1969f2578d9d19fb98c472 [0,2,0,1,0,0|1,0,0]=4 39406 B12R1.364 CO[C@H](C)COCC1CCN1C 6e8a99d635d3145d4467d30c3daf72eb [0,2,0,1,0,0|1,0,0]=4 39407 B12R1.364 CO[C@H](C)COC[C@@H]1CCN1C eb3eba76cea689f5258ca0f532862eda [0,2,0,1,0,0|1,0,0]=4 39408 B12R1.364 CO[C@H](C)COC[C@H]1CCN1C 2ad675fa7a44d5a3f51943d9ca7445f5 [0,2,0,1,0,0|1,0,0]=4 39409 B12R1.364 OCC(O)COCC1CCC1F 27baa7c37639938aa1e49bdd0a986256 [0,2,0,1,0,0|1,0,0]=4 39410 B12R1.364 OC[C@@H](O)COCC1CCC1F 7e1d14968a83e757504c683d2da2c0a2 [0,2,0,1,0,0|1,0,0]=4 39411 B12R1.364 OC[C@H](O)COCC1CCC1F 6f92510c0796c197656a86129bb0b9a6 [0,2,0,1,0,0|1,0,0]=4 39412 B12R1.365 C#CC(C)N1CCOCCC1C 3667d6cf920fb7e063d7bf9ac87733b9 [0,2,0,1,0,0|1,0,0]=4 39413 B12R1.365 C=CC(C)N1CCOCCC1C a80e88055c4d21149b1b34bea9300981 [0,2,0,1,0,0|1,0,0]=4 39414 B12R1.365 CC(C#N)N1CCOCCC1C 9a823f1cfcea6ad66a5de9f17917caab [0,2,0,1,0,0|1,0,0]=4 39415 B12R1.365 CC(C=O)N1CCOCCC1C 8711007ab82f91c9cb96bbbbddea9ed9 [0,2,0,1,0,0|1,0,0]=4 39416 B12R1.365 CC(CO)N1CCOCCC1C 70caf1654b387d8e061da33b547f29b6 [0,2,0,1,0,0|1,0,0]=4 39417 B12R1.365 CC1CCOCCN1[C@@H](C)CO bc43db9d8111d59fcc00c4e1aa34106b [0,2,0,1,0,0|1,0,0]=4 39418 B12R1.365 CC1CCOCCN1[C@H](C)C=O 0f1f1383a787d7cf7700736c3d31f160 [0,2,0,1,0,0|1,0,0]=4 39419 B12R1.365 CC1CCOCCN1[C@H](C)CO 8c948f52d1fd282811674c1760a0684b [0,2,0,1,0,0|1,0,0]=4 39420 B12R1.365 CCC(=O)N1CCOCCC1C 66be674a76e44b581d1b08c8e6ab7c2c [0,2,0,1,0,0|0,0,1]=4 39421 B12R1.365 CCC(C)N1CCCCCC1C 0cd4374f891630cab200d41f0632a307 [0,2,0,1,0,0|1,0,0]=4 39422 B12R1.365 CCC(C)N1CCOCCC1C d69d06527378a3d05d30f3f612e7c016 [0,2,0,1,0,0|0,0,0]=3 39423 B12R1.365 CCC(C)N1CCSCCC1C d040c42997ac0f3883b4b023b7b83287 [0,2,0,1,0,0|0,1,0]=4 39424 B12R1.371 CCC(C)CN1CCCCC1C 670b4b234d79de42e2a313010fde8620 [0,2,0,1,0,0|1,0,0]=4 39425 B12R1.371 CCC(C)CN1CCCC[C@@H]1C 6193c8be39f1878464f6e86df65416d8 [0,2,0,1,0,0|1,0,0]=4 39426 B12R1.371 CCC(C)CN1CCCC[C@H]1C 84e552c63a4598f7dadb172a8bf5b1b8 [0,2,0,1,0,0|1,0,0]=4 39427 B12R1.371 CCC(C)CN1CCOCC1C 30f8b2e9590ae1d64bd1dc083a2092ef [0,2,0,1,0,0|1,0,0]=4 39428 B12R1.371 CCC(C)CN1CCOC[C@@H]1C 48e08051b92ea6f5b9a1f738edbab246 [0,2,0,1,0,0|1,0,0]=4 39429 B12R1.371 CCC(C)CN1CCOC[C@H]1C f0935a05140d071a02fbc7a3d73b6e54 [0,2,0,1,0,0|1,0,0]=4 39430 B12R1.371 CCC(C)NC1CCCCC1C f1aacde24ff7b07ba3543a8858ddd86b [0,2,0,1,0,0|1,0,0]=4 39431 B12R1.371 CCC(C)N[C@@H]1CCCC[C@@H]1C bbe9e26846867a414deeba1950cf956c [0,2,0,1,0,0|1,0,0]=4 39432 B12R1.371 CCC(C)N[C@@H]1CCCC[C@H]1C bb5e9a322dae9d5bb34b3c106ee63092 [0,2,0,1,0,0|1,0,0]=4 39433 B12R1.371 CCC(C)N[C@@H]1COCC[C@@H]1O c474a0beae8c5f1a77895eab9d5d2934 [0,2,0,1,0,0|1,0,0]=4 39434 B12R1.371 CCC(C)N[C@@H]1COCC[C@H]1O b8dea4a5686f66d337df61db00b0cd4a [0,2,0,1,0,0|1,0,0]=4 39435 B12R1.371 CCC(C)N[C@H]1CCCC[C@@H]1C 765c46b599bf6b7dbf0109092b5007a9 [0,2,0,1,0,0|1,0,0]=4 39436 B12R1.371 CCC(C)N[C@H]1CCCC[C@H]1C f7790fef62136664d8536e9cba4c5d5c [0,2,0,1,0,0|1,0,0]=4 39437 B12R1.371 CCC(C)N[C@H]1COCC[C@@H]1O 373e71f4825e2cfb73cd0f0a58566b35 [0,2,0,1,0,0|1,0,0]=4 39438 B12R1.371 CCC(C)N[C@H]1COCC[C@H]1O cfce0dd284a1f5088c6bf518d4131e23 [0,2,0,1,0,0|1,0,0]=4 39439 B12R1.371 CCC(C)OC1CCCCC1C 7024d370a0677e2ebf9c136f299e913e [0,2,0,1,0,0|1,0,0]=4 39440 B12R1.371 CCC(C)O[C@@H]1CCCC[C@@H]1C 6e67ca854fc5b2654e4c2642697fb1bc [0,2,0,1,0,0|1,0,0]=4 39441 B12R1.371 CCC(C)O[C@H]1CCCC[C@@H]1C 7ce72214e0fb9074f655ba9016f81538 [0,2,0,1,0,0|1,0,0]=4 39442 B12R1.371 CCC(C)O[C@H]1CCCC[C@H]1C a45fa5bb973a5fecebb417237ec822ad [0,2,0,1,0,0|1,0,0]=4 39443 B12R1.371 CCC(O)CN1CCCCC1C 0f4be746803bd614d3ab715f29af63a6 [0,2,0,1,0,0|1,0,0]=4 39444 B12R1.371 CCC(O)CN1CCCC[C@@H]1C 7f97ae3a85ff67ebbce5dddb346d7a29 [0,2,0,1,0,0|1,0,0]=4 39445 B12R1.371 CCC(O)CN1CCCC[C@H]1C 08246a3830baf3eb3d81ca94772fcf27 [0,2,0,1,0,0|1,0,0]=4 39446 B12R1.371 CCC(O)CN1CCOCC1C bc6c6832d0155f8d04f43b88c402badc [0,2,0,1,0,0|1,0,0]=4 39447 B12R1.371 CCC(O)CN1CCOC[C@@H]1C c818e971d9e40717b55ae7185bbc8cbd [0,2,0,1,0,0|1,0,0]=4 39448 B12R1.371 CCC(O)CN1CCOC[C@H]1C 3063a85971d76a8f7cc703988b283917 [0,2,0,1,0,0|1,0,0]=4 39449 B12R1.371 CC[C@@H](C)CN1CCCCC1C c5518f6947c59429a336f7f48c47c357 [0,2,0,1,0,0|1,0,0]=4 39450 B12R1.371 CC[C@@H](C)CN1CCCC[C@@H]1C 798cd66b940a464f68895bbaf2fcc58f [0,2,0,1,0,0|1,0,0]=4 39451 B12R1.371 CC[C@@H](C)CN1CCCC[C@H]1C 3c302c2b2aa9c77c5a13d2be2759c7ef [0,2,0,1,0,0|1,0,0]=4 39452 B12R1.371 CC[C@@H](C)CN1CCOCC1C 8ef284ff6d281223feba91b474414e66 [0,2,0,1,0,0|1,0,0]=4 39453 B12R1.371 CC[C@@H](C)CN1CCOC[C@@H]1C 9db58466b760a6387549f3107f01b52c [0,2,0,1,0,0|1,0,0]=4 39454 B12R1.371 CC[C@@H](C)CN1CCOC[C@H]1C 1ad884c705113e37eed3b234467a6353 [0,2,0,1,0,0|1,0,0]=4 39455 B12R1.371 CC[C@@H](C)N[C@H]1CCCC[C@H]1C 36b069800ad5339e7f492ddf4eab1219 [0,2,0,1,0,0|1,0,0]=4 39456 B12R1.371 CC[C@@H](C)O[C@H]1CCCC[C@H]1C e28cdeb76d94fd58844c8fba00f059d1 [0,2,0,1,0,0|1,0,0]=4 39457 B12R1.371 CC[C@H](C)CN1CCCCC1C 84c2b4bfc8f61a9cde1d8e18d334fd25 [0,2,0,1,0,0|1,0,0]=4 39458 B12R1.371 CC[C@H](C)CN1CCCC[C@@H]1C 14a7e55f3237cf240fdf2ceff45195b6 [0,2,0,1,0,0|1,0,0]=4 39459 B12R1.371 CC[C@H](C)CN1CCCC[C@H]1C aae9c37cf454744e78878c49b4840b56 [0,2,0,1,0,0|1,0,0]=4 39460 B12R1.371 CC[C@H](C)CN1CCOCC1C 623c85def9d1addac4e06801df88096f [0,2,0,1,0,0|1,0,0]=4 39461 B12R1.371 CC[C@H](C)CN1CCOC[C@@H]1C 0487ede643e3e4a60e8b1b2a2f2070fb [0,2,0,1,0,0|1,0,0]=4 39462 B12R1.371 CC[C@H](C)CN1CCOC[C@H]1C adc78b724f860348ec8da2e5d082e570 [0,2,0,1,0,0|1,0,0]=4 39463 B12R1.371 CC[C@H](C)N[C@H]1CCCC[C@H]1C 62bbf161548dfffeb919e289b780b1f9 [0,2,0,1,0,0|1,0,0]=4 39464 B12R1.371 CC[C@H](C)O[C@H]1CCCC[C@H]1C d17686247a0ee01a0a26120b748a9e36 [0,2,0,1,0,0|1,0,0]=4 39465 B12R1.383 C#CCCCCN[C@@H]1CC[C@H]1C c810bc56e6a9e97ade480ffd92b36e97 [0,2,0,1,0,0|1,0,0]=4 39466 B12R1.383 C#CCCCCN[C@H]1CC[C@H]1C 6af301e626bad6e9480b998a6ddece20 [0,2,0,1,0,0|1,0,0]=4 39467 B12R1.383 C#CCCCCOC1COC1C 9e476cbed369f351ef4d6a12a141cd50 [0,2,0,1,0,0|0,0,1]=4 39468 B12R1.383 C#CCCCOCC1CCC1F da9c873430529a05a53b05715d1d153a [0,2,0,1,0,0|0,0,1]=4 39469 B12R1.383 C#CCCCOCC1CCN1C 5acce6e0606f44740f0fe5c36050926c [0,2,0,1,0,0|0,0,1]=4 39470 B12R1.383 C#CCCCOC[C@@H]1CCN1C b34f127dcd00cf252d6e057d246a3ee0 [0,2,0,1,0,0|0,0,1]=4 39471 B12R1.383 C#CCCCOC[C@H]1CCN1C 4d2200ecbe7fa23a7e189c48588b495e [0,2,0,1,0,0|0,0,1]=4 39472 B12R1.383 C/C=C\CCCN[C@@H]1CC[C@H]1C 788f7dddeae729fcf68273601b56da9d [0,2,0,1,0,0|1,0,0]=4 39473 B12R1.383 C/C=C\CCCN[C@H]1CC[C@H]1C 825a50429f895f1655af49474847ca5b [0,2,0,1,0,0|1,0,0]=4 39474 B12R1.383 C/C=C\CCCOC1COC1C a2f34181881ca84f49b49ea8747bd1e6 [0,2,0,1,0,0|0,0,1]=4 39475 B12R1.383 C=CCCCCN[C@@H]1CC[C@H]1C 453b4b3cd32b7dcd92235999ee22cdba [0,2,0,1,0,0|1,0,0]=4 39476 B12R1.383 C=CCCCCN[C@H]1CC[C@H]1C cbcd36f796175d2dfc8445229d868105 [0,2,0,1,0,0|1,0,0]=4 39477 B12R1.383 C=CCCCCOC1COC1C ac0cffd2ac96c77a2ca4b0faa6712616 [0,2,0,1,0,0|0,0,1]=4 39478 B12R1.383 C=CCCCOCC1CCC1F 973139d7e2fa8edc05190807c548d3e2 [0,2,0,1,0,0|0,0,1]=4 39479 B12R1.383 C=CCCCOCC1CCN1C 395b8a81275e74db02b55db5150069ad [0,2,0,1,0,0|0,0,1]=4 39480 B12R1.383 C=CCCCOC[C@@H]1CCN1C d5075513cd5b115b0a85bc27fe02f9f6 [0,2,0,1,0,0|0,0,1]=4 39481 B12R1.383 C=CCCCOC[C@H]1CCN1C d8b3c1aedfa1a9a7f941b335862ed593 [0,2,0,1,0,0|0,0,1]=4 39482 B12R1.383 CC#CCCCOC1COC1C 06c335fce59c70c28e2c5f0dc6946060 [0,2,0,1,0,0|0,0,1]=4 39483 B12R1.383 CC/C=C/COCC1CCC1F 6ba8adab2ed3b9ea9e9fe76d5083c73d [0,2,0,1,0,0|0,0,1]=4 39484 B12R1.383 CC/C=C/COCC1CCN1C 364318e888959fe220bb9194c4937e80 [0,2,0,1,0,0|0,0,1]=4 39485 B12R1.383 CC/C=C/COC[C@@H]1CCN1C a5853d6e2c98d7b60d4405fe8aec11ca [0,2,0,1,0,0|0,0,1]=4 39486 B12R1.383 CC/C=C/COC[C@H]1CCN1C d9a60efe89ba5a50a63a9383d9a367fb [0,2,0,1,0,0|0,0,1]=4 39487 B12R1.383 CC/C=C\CCN[C@@H]1CC[C@H]1C 57d51e9c047e41dbc3daf13a69a8887f [0,2,0,1,0,0|1,0,0]=4 39488 B12R1.383 CC/C=C\CCN[C@H]1CC[C@H]1C 8dd2dcbf62be9c74e8bd04d8fa3b715d [0,2,0,1,0,0|1,0,0]=4 39489 B12R1.383 CC/C=C\CCOC1COC1C 1db8293ad36bf186175702c77daa82ea [0,2,0,1,0,0|0,0,1]=4 39490 B12R1.383 CC1OCC1NCCCCCF 68c3d559e27c1b84e62f2ef8a85ccbbd [0,2,0,1,0,0|1,0,0]=4 39491 B12R1.383 CC1OCC1NCCCCCO b2880c0f101381d55430f4a06e92d9ad [0,2,0,1,0,0|1,0,0]=4 39492 B12R1.383 CC1OCC1OCCCCC#N 2c01818d3352761e12318dea900e4891 [0,2,0,1,0,0|0,0,1]=4 39493 B12R1.383 CC1OCC1OCCCCC=O 2b79b9f30badf182cf2f811eb92b8d54 [0,2,0,1,0,0|0,0,1]=4 39494 B12R1.383 CC1OCC1OCCCCCF 4538d03103c2bb6a5b23df30221fb974 [0,2,0,1,0,0|0,0,0]=3 39495 B12R1.383 CCC#CCOCC1CCC1F d59fcf2848a248d9d9e52fdee3b5fa9c [0,2,0,1,0,0|0,0,1]=4 39496 B12R1.383 CCC/C=C/CN[C@@H]1CC[C@H]1C 2d741cfaaca62b0c9123eac548b716ac [0,2,0,1,0,0|1,0,0]=4 39497 B12R1.383 CCC/C=C/CN[C@H]1CC[C@H]1C 615734e90d0bc7c40499259f3e008741 [0,2,0,1,0,0|1,0,0]=4 39498 B12R1.383 CCC/C=C/COC1COC1C 32fc261d8ef37e507474fcbc0fc7ec99 [0,2,0,1,0,0|0,0,1]=4 39499 B12R1.383 CCC/C=C\CN[C@@H]1CC[C@H]1C 1c39956dc701dd4c9a30af7da4ea8707 [0,2,0,1,0,0|1,0,0]=4 39500 B12R1.383 CCC/C=C\CN[C@H]1CC[C@H]1C a8f6a6eaaf4bd9afd3320daa6dad977f [0,2,0,1,0,0|1,0,0]=4 39501 B12R1.383 CCC/C=C\COC1COC1C cbb4211a2eff058d131dd0b73d841dab [0,2,0,1,0,0|0,0,1]=4 39502 B12R1.383 CCCCCCNC1CCC1F 96b9475d23ae6419b6d5ec680797b7ae [0,2,0,1,0,0|1,0,0]=4 39503 B12R1.383 CCCCCCNC1CCC1O 9f419664d97c9456b1b1551804288fd7 [0,2,0,1,0,0|1,0,0]=4 39504 B12R1.383 CCCCCCNC1COC1C fbf76c04f372da30b592f46c752cebd7 [0,2,0,1,0,0|1,0,0]=4 39505 B12R1.383 CCCCCCN[C@@H]1CC[C@@H]1O 22717d8d30309d7e01434ddaae0e2337 [0,2,0,1,0,0|1,0,0]=4 39506 B12R1.383 CCCCCCN[C@@H]1CC[C@H]1C 6402596d4f3fd3a862a93cd639aee570 [0,2,0,1,0,0|1,0,0]=4 39507 B12R1.383 CCCCCCN[C@@H]1CC[C@H]1O ed46839ebf7501d9bea44c6317dbdf67 [0,2,0,1,0,0|1,0,0]=4 39508 B12R1.383 CCCCCCN[C@H]1CC[C@@H]1O 64763215c34c6ffc8814c8e515af9d68 [0,2,0,1,0,0|1,0,0]=4 39509 B12R1.383 CCCCCCN[C@H]1CC[C@H]1C 3f6dcab187eb01b429b438fcfebdaa3c [0,2,0,1,0,0|1,0,0]=4 39510 B12R1.383 CCCCCCN[C@H]1CC[C@H]1O 5c72c02c91ee480d04f785198a7890b6 [0,2,0,1,0,0|1,0,0]=4 39511 B12R1.383 CCCCCCOC1CCC1=O fb3755ef5063eb81004edbf86e8d619b [0,2,0,1,0,0|0,0,1]=4 39512 B12R1.383 CCCCCCOC1COC1C 0820cecfef692703a0347f69392a027e [0,2,0,1,0,0|0,0,0]=3 39513 B12R1.383 CCCCCNCC1CCN1C d9019929fb3cb32021b9b7848449b5c7 [0,2,0,1,0,0|1,0,0]=4 39514 B12R1.383 CCCCCOCC1CCC1=O 824001eada13aa6b0137a01f47c0f088 [0,2,0,1,0,0|0,0,0]=3 39515 B12R1.383 CCCCCOCC1CCC1F 8b8055d24aa3874cfa2071e82674ae30 [0,2,0,1,0,0|0,0,0]=3 39516 B12R1.383 CCCCCOCC1CCN1C a80e6c12f1b7fc52f9a983de521c0298 [0,2,0,1,0,0|0,0,0]=3 39517 B12R1.383 CCCCCOCC1COC1=O 480a64f12b395abba4fb013ae6438163 [0,2,0,1,0,0|0,0,1]=4 39518 B12R1.383 CCCCCOC[C@@H]1CCN1C eeeb98c1815b8df83faadfc442192295 [0,2,0,1,0,0|0,0,0]=3 39519 B12R1.383 CCCCCOC[C@H]1CCN1C 58e57c28fe28d17154eb27e90c48a7c7 [0,2,0,1,0,0|0,0,0]=3 39520 B12R1.383 CCCCNCCC1CCC1=O 1ba5f39faed4c4930fad4ab1e9742767 [0,2,0,1,0,0|1,0,0]=4 39521 B12R1.383 CCCCOCCC1CCC1=O bd043f47fcf89c2fc89c93924776f988 [0,2,0,1,0,0|0,0,0]=3 39522 B12R1.383 CCCCOCNC1CCC1F 9b2f5dfafc71a3fd3c909a3cfa3ac64c [0,2,0,1,0,0|0,0,0]=3 39523 B12R1.383 CCCCOCNC1CCC1O 48162cdf992290aaf8f4e55bb1d5bc82 [0,2,0,1,0,0|0,0,0]=3 39524 B12R1.383 CCCCOCNC1COC1C a69d6100df73bf601cf3e464dc6e285a [0,2,0,1,0,0|0,0,0]=3 39525 B12R1.383 CCCCOCN[C@@H]1CC[C@@H]1O 9ae7088fa3e9f67176ca6762980f6703 [0,2,0,1,0,0|0,0,0]=3 39526 B12R1.383 CCCCOCN[C@@H]1CC[C@H]1C 90969abf0b6c7f78b36dae71d6c35cf8 [0,2,0,1,0,0|0,0,0]=3 39527 B12R1.383 CCCCOCN[C@@H]1CC[C@H]1O 25303536e2c16318f7607b65cf5f1d6a [0,2,0,1,0,0|0,0,0]=3 39528 B12R1.383 CCCCOCN[C@H]1CC[C@@H]1O 674cdf18513d0dbad7456a328d34ca94 [0,2,0,1,0,0|0,0,0]=3 39529 B12R1.383 CCCCOCN[C@H]1CC[C@H]1C 3db4aa3b7c6192be097ce777efe40082 [0,2,0,1,0,0|0,0,0]=3 39530 B12R1.383 CCCCOCN[C@H]1CC[C@H]1O fb20199d6ef520110a449e7360f100c7 [0,2,0,1,0,0|0,0,0]=3 39531 B12R1.383 CCCCOCOC1CCC1=O 32115c5cfac5cc503dd9337f24425b98 [0,2,0,1,0,0|0,0,1]=4 39532 B12R1.383 CCCCOCOC1COC1C 667220bbdfdb792ac2f05f4afe3cf007 [0,2,0,1,0,0|0,0,0]=3 39533 B12R1.383 CCCOCCNC1CCC1F 2d80a4d294980bbb71a7b910a598254d [0,2,0,1,0,0|1,0,0]=4 39534 B12R1.383 CCCOCCNC1CCC1O 347323928342adaae3fc5026a427cb7f [0,2,0,1,0,0|1,0,0]=4 39535 B12R1.383 CCCOCCNC1COC1C 2b82d302fd1b325fc97383e146d8b183 [0,2,0,1,0,0|1,0,0]=4 39536 B12R1.383 CCCOCCN[C@@H]1CC[C@@H]1O 2c2c950e98bde6736d58e37e5e05ad5d [0,2,0,1,0,0|1,0,0]=4 39537 B12R1.383 CCCOCCN[C@@H]1CC[C@H]1C 0112b3366168d279abb6ad7286305817 [0,2,0,1,0,0|1,0,0]=4 39538 B12R1.383 CCCOCCN[C@@H]1CC[C@H]1O 00b4c64e016a329c1b263a21523348fe [0,2,0,1,0,0|1,0,0]=4 39539 B12R1.383 CCCOCCN[C@H]1CC[C@@H]1O d71ab090fec63d9da924710bf4485087 [0,2,0,1,0,0|1,0,0]=4 39540 B12R1.383 CCCOCCN[C@H]1CC[C@H]1C a3ba70664e0f546ec12be9e5f68282c5 [0,2,0,1,0,0|1,0,0]=4 39541 B12R1.383 CCCOCCN[C@H]1CC[C@H]1O c397f464d6ca42686ddfe3e70878a6d6 [0,2,0,1,0,0|1,0,0]=4 39542 B12R1.383 CCCOCCOC1CCC1=O 3c86b99999296a12e709ff3544a2958b [0,2,0,1,0,0|0,0,1]=4 39543 B12R1.383 CCCOCCOC1COC1C 6c59b5cbe29346743298e439d39f89b8 [0,2,0,1,0,0|0,0,0]=3 39544 B12R1.383 CCOCCCNC1CCC1F e318274f1dcd3d9ff28187e677b5ce6b [0,2,0,1,0,0|1,0,0]=4 39545 B12R1.383 CCOCCCNC1CCC1O 65c59448386bb8412cc5ca53ef311fd9 [0,2,0,1,0,0|1,0,0]=4 39546 B12R1.383 CCOCCCNC1COC1C 66904732d5674c2ff611e7aa1d07e993 [0,2,0,1,0,0|1,0,0]=4 39547 B12R1.383 CCOCCCN[C@@H]1CC[C@@H]1O a9378bfad7959dbc24f0e1d17290139f [0,2,0,1,0,0|1,0,0]=4 39548 B12R1.383 CCOCCCN[C@@H]1CC[C@H]1C 49e8ceba1686f4fa526966a0fc0a0068 [0,2,0,1,0,0|1,0,0]=4 39549 B12R1.383 CCOCCCN[C@@H]1CC[C@H]1O 69cd03d8647ab008b4808433239e634a [0,2,0,1,0,0|1,0,0]=4 39550 B12R1.383 CCOCCCN[C@H]1CC[C@@H]1O f78f743c8c11c0f8aa988c7f4892a14e [0,2,0,1,0,0|1,0,0]=4 39551 B12R1.383 CCOCCCN[C@H]1CC[C@H]1C 493ab324cba7985ad7eaf63607fa0d02 [0,2,0,1,0,0|1,0,0]=4 39552 B12R1.383 CCOCCCN[C@H]1CC[C@H]1O ed32c87ba09b492653607455782b22f3 [0,2,0,1,0,0|1,0,0]=4 39553 B12R1.383 CCOCCCOC1CCC1=O 1a9d2acacc999958e56544d9171a8499 [0,2,0,1,0,0|0,0,1]=4 39554 B12R1.383 CCOCCCOC1COC1C 053f33b0459d522d2363908f044e810a [0,2,0,1,0,0|0,0,0]=3 39555 B12R1.383 CCOCCNCC1CCN1C 7b915d9c8e406a926ecd81c3fafc07ea [0,2,0,1,0,0|1,0,0]=4 39556 B12R1.383 CCOCCOCC1CCC1=O 1a8566d7478fccf346ac1cc1723d622b [0,2,0,1,0,0|0,0,1]=4 39557 B12R1.383 CCOCCOCC1CCC1F 9e744385e3e0734ed43fa4ddafa0ad9a [0,2,0,1,0,0|0,0,0]=3 39558 B12R1.383 CCOCCOCC1CCN1C d083bf386d4076f090bb57509202c7d4 [0,2,0,1,0,0|0,0,0]=3 39559 B12R1.383 CCOCCOC[C@@H]1CCN1C 9d8f8f04bb59d224b1a47880bd8319ee [0,2,0,1,0,0|0,0,0]=3 39560 B12R1.383 CCOCCOC[C@H]1CCN1C e820a097c9fdf94ecf66b84663162f45 [0,2,0,1,0,0|0,0,0]=3 39561 B12R1.383 CCSCCCNC1CCC1F 8fcab6412dddfecba375d07a2993c1f3 [0,2,0,1,0,0|1,0,0]=4 39562 B12R1.383 CCSCCCNC1CCC1O 9c908cfff375af216bf30e96d08c7ba1 [0,2,0,1,0,0|1,0,0]=4 39563 B12R1.383 CCSCCCNC1COC1C 6066f9b14a92da7e9600e590146b6844 [0,2,0,1,0,0|1,0,0]=4 39564 B12R1.383 CCSCCCN[C@@H]1CC[C@@H]1O a0d88ddfe4e9e64d7ccfee525f56cd50 [0,2,0,1,0,0|1,0,0]=4 39565 B12R1.383 CCSCCCN[C@@H]1CC[C@H]1C 1dfbed4d01908736a257ee7d9bff1e5b [0,2,0,1,0,0|1,0,0]=4 39566 B12R1.383 CCSCCCN[C@@H]1CC[C@H]1O 2e8360dec088316e85259a8b9e327672 [0,2,0,1,0,0|1,0,0]=4 39567 B12R1.383 CCSCCCN[C@H]1CC[C@@H]1O 9e1fb33bad8adf0f8481eb3a49874ae5 [0,2,0,1,0,0|1,0,0]=4 39568 B12R1.383 CCSCCCN[C@H]1CC[C@H]1C b6d6e916e09febe480d00626b68cda49 [0,2,0,1,0,0|1,0,0]=4 39569 B12R1.383 CCSCCCN[C@H]1CC[C@H]1O 196df1abf945559a89f7abe2c21595ac [0,2,0,1,0,0|1,0,0]=4 39570 B12R1.383 CCSCCCOC1COC1C bd1e24365c38d13b25a786f4d3f39bf8 [0,2,0,1,0,0|0,0,0]=3 39571 B12R1.383 CCSCCNCC1CCN1C 58090c1e4c2d63b1744016bf114fe08f [0,2,0,1,0,0|1,0,0]=4 39572 B12R1.383 CCSCCOCC1CCC1=O b2c88cbb0ac9dcdc24fc5330f2a0e658 [0,2,0,1,0,0|0,0,1]=4 39573 B12R1.383 CCSCCOCC1CCC1F 246d916990f064746845d1547f8c0bff [0,2,0,1,0,0|0,0,0]=3 39574 B12R1.383 CCSCCOCC1CCN1C 66ffd5bd42be1e9b6577f9f3cef10c03 [0,2,0,1,0,0|0,0,0]=3 39575 B12R1.383 CCSCCOC[C@@H]1CCN1C 74527d20c5d8582549aae2532ebeccd4 [0,2,0,1,0,0|0,0,0]=3 39576 B12R1.383 CCSCCOC[C@H]1CCN1C ad58234947516fc075ba06a0ec6fd333 [0,2,0,1,0,0|0,0,0]=3 39577 B12R1.383 CN1CCC1CNCCCCF 7d92b06f9a0486202de408043cdf71a2 [0,2,0,1,0,0|1,0,0]=4 39578 B12R1.383 CN1CCC1CNCCCCO 381d3a5c870fa52a9ffa7e84a2f7ffc1 [0,2,0,1,0,0|1,0,0]=4 39579 B12R1.383 CN1CCC1COCCCC#N df496204abe371ca67015db9d03eb1c6 [0,2,0,1,0,0|0,0,1]=4 39580 B12R1.383 CN1CCC1COCCCC=O 0d94f927b20b4133981a3708efedc098 [0,2,0,1,0,0|0,0,1]=4 39581 B12R1.383 CN1CCC1COCCCCF 01b7af00dfd7cf86c1ae6660a0d0890d [0,2,0,1,0,0|0,0,0]=3 39582 B12R1.383 CN1CC[C@@H]1COCCCC#N f8890bd0540ddccd40c3a634515b1619 [0,2,0,1,0,0|0,0,1]=4 39583 B12R1.383 CN1CC[C@@H]1COCCCC=O 651a112239256f1e2af9e1aa0d5536b0 [0,2,0,1,0,0|0,0,1]=4 39584 B12R1.383 CN1CC[C@@H]1COCCCCF 475a75e8bd1f3f0dcba6d5adfcbc2ee7 [0,2,0,1,0,0|0,0,0]=3 39585 B12R1.383 CN1CC[C@H]1COCCCC#N 479ef2ef3180d1d79ffe39450ef821e0 [0,2,0,1,0,0|0,0,1]=4 39586 B12R1.383 CN1CC[C@H]1COCCCC=O 122954095930b98272bbe6d400d6d451 [0,2,0,1,0,0|0,0,1]=4 39587 B12R1.383 CN1CC[C@H]1COCCCCF 52227ad7865daa081cc0bce449f80360 [0,2,0,1,0,0|0,0,0]=3 39588 B12R1.383 COCCCCNC1CCC1F 2ca20da1b8f78af95759c6d1a66ea610 [0,2,0,1,0,0|1,0,0]=4 39589 B12R1.383 COCCCCNC1CCC1O 1c3401e3064394e77548ce482ad7a0fc [0,2,0,1,0,0|1,0,0]=4 39590 B12R1.383 COCCCCNC1COC1C a8f4b8ee208eb0b9a83f94bdc24fa250 [0,2,0,1,0,0|1,0,0]=4 39591 B12R1.383 COCCCCN[C@@H]1CC[C@@H]1O c854dd3f8b428235ce647b6b89d9af32 [0,2,0,1,0,0|1,0,0]=4 39592 B12R1.383 COCCCCN[C@@H]1CC[C@H]1C fb1bb0d497a38b8c3bb5259661458c2c [0,2,0,1,0,0|1,0,0]=4 39593 B12R1.383 COCCCCN[C@@H]1CC[C@H]1O b029853b6f651cfebd78ad7b3025d099 [0,2,0,1,0,0|1,0,0]=4 39594 B12R1.383 COCCCCN[C@H]1CC[C@@H]1O eea0228049bd77d5ba7ce121a3dcbe65 [0,2,0,1,0,0|1,0,0]=4 39595 B12R1.383 COCCCCN[C@H]1CC[C@H]1C b205bc79890a95fb396ae67386ec2497 [0,2,0,1,0,0|1,0,0]=4 39596 B12R1.383 COCCCCN[C@H]1CC[C@H]1O 8c6c52fd1799c56bd390b3d555b74e56 [0,2,0,1,0,0|1,0,0]=4 39597 B12R1.383 COCCCCOC1CCC1=O 6702602c8179564d4dfd99db6e5007f4 [0,2,0,1,0,0|0,0,1]=4 39598 B12R1.383 COCCCCOC1COC1C 9576b8d615115a0849cef78f8a63b44a [0,2,0,1,0,0|0,0,0]=3 39599 B12R1.383 COCCCNCC1CCN1C 9b64003064f3cccc820a787eecf467dc [0,2,0,1,0,0|1,0,0]=4 39600 B12R1.383 COCCCOCC1CCC1=O 09202189c56ce81e22fbce84d3b6726b [0,2,0,1,0,0|0,0,1]=4 39601 B12R1.383 COCCCOCC1CCC1F 261e084de8920e5982e4aac06f16f955 [0,2,0,1,0,0|0,0,0]=3 39602 B12R1.383 COCCCOCC1CCN1C cda10dc55f1be4e74c20d51d2250a03a [0,2,0,1,0,0|0,0,0]=3 39603 B12R1.383 COCCCOC[C@@H]1CCN1C 90faf3f30e228bcdb371b56ef07c4787 [0,2,0,1,0,0|0,0,0]=3 39604 B12R1.383 COCCCOC[C@H]1CCN1C 2a7d7eacb39f88371dcdbfc782e0b1d3 [0,2,0,1,0,0|0,0,0]=3 39605 B12R1.383 COCCOCCC1CCC1=O c0e3866b9d40cf0f69bcc6cfac9c2d72 [0,2,0,1,0,0|1,0,0]=4 39606 B12R1.383 COCCOCNC1CCC1F 629d0b15966a36c31ad6f4118a283b7c [0,2,0,1,0,0|1,0,0]=4 39607 B12R1.383 COCCOCNC1CCC1O 600478b8a869212887d2dacde7325ae4 [0,2,0,1,0,0|1,0,0]=4 39608 B12R1.383 COCCOCNC1COC1C fa31ba7138e01527e2992d340b84f36e [0,2,0,1,0,0|1,0,0]=4 39609 B12R1.383 COCCOCN[C@@H]1CC[C@@H]1O c1080fb1bcdd921a823a7aafebc78714 [0,2,0,1,0,0|1,0,0]=4 39610 B12R1.383 COCCOCN[C@@H]1CC[C@H]1C 012503e3ed85d2674706d71038575d59 [0,2,0,1,0,0|1,0,0]=4 39611 B12R1.383 COCCOCN[C@@H]1CC[C@H]1O b9de41121d3c5ed42d5108b0ef7fe2dc [0,2,0,1,0,0|1,0,0]=4 39612 B12R1.383 COCCOCN[C@H]1CC[C@@H]1O b846663a860fc2a8659e0e860d36906f [0,2,0,1,0,0|1,0,0]=4 39613 B12R1.383 COCCOCN[C@H]1CC[C@H]1C 24b74cba259139a33b05d9bdf00cc1bd [0,2,0,1,0,0|1,0,0]=4 39614 B12R1.383 COCCOCN[C@H]1CC[C@H]1O 332328d7a2dfbce1a8a61e583c84b8cd [0,2,0,1,0,0|1,0,0]=4 39615 B12R1.383 COCCOCOC1COC1C 4e914119ca959b4d7f609db6f77f9edc [0,2,0,1,0,0|1,0,0]=4 39616 B12R1.383 COCOCCN[C@@H]1CC[C@H]1C 29a550c3f90632ba086e93686fd36020 [0,2,0,1,0,0|1,0,0]=4 39617 B12R1.383 COCOCCN[C@H]1CC[C@H]1C 1734923ef06d69118a22cbed6f6cf133 [0,2,0,1,0,0|1,0,0]=4 39618 B12R1.383 COCOCCOC1COC1C 36b6c4a58c8c2f5b70186218db526ef7 [0,2,0,1,0,0|1,0,0]=4 39619 B12R1.383 CSCCCNCC1CCN1C 966230ed25d790662b9365304b47fb3a [0,2,0,1,0,0|1,0,0]=4 39620 B12R1.383 CSCCCOCC1CCC1=O 3239d283feb819dbfc66f3e95495f036 [0,2,0,1,0,0|0,0,1]=4 39621 B12R1.383 CSCCCOCC1CCC1F 9272dbab66a8ff06220017c685d75689 [0,2,0,1,0,0|0,0,0]=3 39622 B12R1.383 CSCCCOCC1CCN1C 375731d6df7e095c4b342fd10abc88a2 [0,2,0,1,0,0|0,0,0]=3 39623 B12R1.383 CSCCCOC[C@@H]1CCN1C aa1ed3c0cc6148488ddbffe901a4ddf4 [0,2,0,1,0,0|0,0,0]=3 39624 B12R1.383 CSCCCOC[C@H]1CCN1C bc90502d6258cd1be729ffb868e14aa0 [0,2,0,1,0,0|0,0,0]=3 39625 B12R1.383 CSCCOCCC1CCC1=O 984ae453427895de610cb57a20dbdc55 [0,2,0,1,0,0|1,0,0]=4 39626 B12R1.383 C[C@@H]1CC[C@@H]1NCCCCC#N 947c5407544d1ae376d3902137e53072 [0,2,0,1,0,0|1,0,0]=4 39627 B12R1.383 C[C@@H]1CC[C@@H]1NCCCCC=O 2d39afda549d36ed4f429b3b109f80d7 [0,2,0,1,0,0|1,0,0]=4 39628 B12R1.383 C[C@@H]1CC[C@@H]1NCCCCCF ec0008715c4e527c458496ea7a0cff33 [0,2,0,1,0,0|1,0,0]=4 39629 B12R1.383 C[C@@H]1CC[C@@H]1NCCCCCO e3087d58719320da792a403688466b91 [0,2,0,1,0,0|1,0,0]=4 39630 B12R1.383 C[C@@H]1CC[C@@H]1NCCCCON 3c9e238886e913de85f7bd249104b1fe [0,2,0,1,0,0|1,0,0]=4 39631 B12R1.383 C[C@@H]1CC[C@@H]1NCCOCCO 34e4a6c2a4783c66e733113e2c227dc7 [0,2,0,1,0,0|1,0,0]=4 39632 B12R1.383 C[C@@H]1CC[C@H]1NCCCCC#N b329399170b2f42ee6357b3ded28ba52 [0,2,0,1,0,0|1,0,0]=4 39633 B12R1.383 C[C@@H]1CC[C@H]1NCCCCC=O 207b06f4b03514f2d4c26f7d2e4c91f2 [0,2,0,1,0,0|1,0,0]=4 39634 B12R1.383 C[C@@H]1CC[C@H]1NCCCCCF c27f2192475d8278d421cc4141f142cb [0,2,0,1,0,0|1,0,0]=4 39635 B12R1.383 C[C@@H]1CC[C@H]1NCCCCCO 1c48ea76118b530367cd4c2fa444d5fb [0,2,0,1,0,0|1,0,0]=4 39636 B12R1.383 C[C@@H]1CC[C@H]1NCCCCON e895ffb8b3ea4e5fe8c7db58e5deeac0 [0,2,0,1,0,0|1,0,0]=4 39637 B12R1.383 C[C@@H]1CC[C@H]1NCCOCCO 0910c6570c9be4cf619da4433274e431 [0,2,0,1,0,0|1,0,0]=4 39638 B12R1.383 FCCCCCNC1CCC1F a46996f551dd41830db6feaff4b6e53d [0,2,0,1,0,0|1,0,0]=4 39639 B12R1.383 FCCCCOCC1CCC1F 72addfa7fdeff578efe91eddf48afdd4 [0,2,0,1,0,0|0,0,0]=3 39640 B12R1.383 N#CCCCOCC1CCC1F 2b79417781a21172dc9c6303de84b04f [0,2,0,1,0,0|0,0,1]=4 39641 B12R1.383 O=C1CCC1CCOCCCF 28f6736cd2cef7a4b849c0be3e2794c0 [0,2,0,1,0,0|1,0,0]=4 39642 B12R1.383 O=C1CCC1CCOCCCS 51c081557c83783bd3f0f2850eb88192 [0,2,0,1,0,0|1,0,0]=4 39643 B12R1.383 O=C1CCC1COCCCCF 8247c64836899f1959f9df6351406e4e [0,2,0,1,0,0|0,0,1]=4 39644 B12R1.383 O=C1CCC1OCCCCCF 7f7f9c254e0736599bf2b02f6af6fa68 [0,2,0,1,0,0|0,0,1]=4 39645 B12R1.383 O=CCCCOCC1CCC1F f3d55e1fdfc5bae7533563751be07350 [0,2,0,1,0,0|0,0,1]=4 39646 B12R1.383 OC1CCC1NCCCCCF 29a4b167cc8213d0acb54e17cf1e3ed7 [0,2,0,1,0,0|1,0,0]=4 39647 B12R1.383 OCCCCCNC1CCC1F c190a84970aae9b5cb32127f0496ba94 [0,2,0,1,0,0|1,0,0]=4 39648 B12R1.383 OCCCCCNC1CCC1O 9215df22e9d84cfefa76660e901ec1e7 [0,2,0,1,0,0|1,0,0]=4 39649 B12R1.383 OCCCCCN[C@@H]1CC[C@@H]1O 563b328110e6c2e65ff533f1e98717b3 [0,2,0,1,0,0|1,0,0]=4 39650 B12R1.383 OCCCCCN[C@@H]1CC[C@H]1O fba8d511759ac9c7e6e7d719b314c92b [0,2,0,1,0,0|1,0,0]=4 39651 B12R1.383 OCCCCCN[C@H]1CC[C@@H]1O e373e2d51f1f680ec7af4fe18fcd86c9 [0,2,0,1,0,0|1,0,0]=4 39652 B12R1.383 OCCCCCN[C@H]1CC[C@H]1O 1d2c2e3d720faa11ccf68a0d4ece29e7 [0,2,0,1,0,0|1,0,0]=4 39653 B12R1.383 O[C@@H]1CC[C@@H]1NCCCCCF 21f20b60fe6ae87963061193a35095a1 [0,2,0,1,0,0|1,0,0]=4 39654 B12R1.383 O[C@@H]1CC[C@H]1NCCCCCF 81a452b4c9d78c9ea8893bad25ea6639 [0,2,0,1,0,0|1,0,0]=4 39655 B12R1.383 O[C@H]1CC[C@@H]1NCCCCCF 2f54252923fa815729db41413ca8a4c3 [0,2,0,1,0,0|1,0,0]=4 39656 B12R1.383 O[C@H]1CC[C@H]1NCCCCCF 0a8e5dd740c258591278d6bd8bd8b65f [0,2,0,1,0,0|1,0,0]=4 39657 B12R1.387 CCCCN1CCCC1(C)C#N 2dd177bc6b3211a1721325ff13db4851 [0,2,0,1,0,0|1,0,0]=4 39658 B12R1.387 CCCCN1CCCC1(C)CO b4b69ede68ceedfea7f3a9bb19939806 [0,2,0,1,0,0|1,0,0]=4 39659 B12R1.402 CCC(C)CCN1CCC1CC dc75a63edfa9f404906b05196559cf93 [0,2,0,1,0,0|1,0,0]=4 39660 B12R1.402 CCC(C)CCN1CCC1CO 41d9feb98868f69301d4835e6e552b74 [0,2,0,1,0,0|1,0,0]=4 39661 B12R1.402 CCC(C)CCN1CC[C@@H]1CO f2047698bfcf64b772d8c3d1de71349b [0,2,0,1,0,0|1,0,0]=4 39662 B12R1.402 CCC(C)CCN1CC[C@H]1CO ec6d4a2675aa8f43f907244a084ce05b [0,2,0,1,0,0|1,0,0]=4 39663 B12R1.402 CCC(C)CNC1CCC1OC 0d0b3082859ec86951347160121da19c [0,2,0,1,0,0|1,0,0]=4 39664 B12R1.402 CCC(C)CN[C@@H]1CC[C@@H]1OC 1b91ae81178fc7b39e1828086830661c [0,2,0,1,0,0|1,0,0]=4 39665 B12R1.402 CCC(C)CN[C@@H]1CC[C@H]1OC 636b2a53a423b0f03598a0d4a71a7739 [0,2,0,1,0,0|1,0,0]=4 39666 B12R1.402 CCC(C)CN[C@H]1CC[C@@H]1OC 377a2c3ade1c29108976f7e0c96fac6d [0,2,0,1,0,0|1,0,0]=4 39667 B12R1.402 CCC(C)CN[C@H]1CC[C@H]1OC 296e91f5dd7a6e1e1c13e0e17bfba81a [0,2,0,1,0,0|1,0,0]=4 39668 B12R1.402 CCC(O)CNC1CCC1OC a58ce1d3531a61ce7ebf1432db5debaa [0,2,0,1,0,0|1,0,0]=4 39669 B12R1.402 CCC(O)CN[C@@H]1CC[C@@H]1OC cc92820b5be519f19039105a2ff74b44 [0,2,0,1,0,0|1,0,0]=4 39670 B12R1.402 CCC(O)CN[C@@H]1CC[C@H]1OC a41f4b9c5f1b7dfb3fd5ece898424b25 [0,2,0,1,0,0|1,0,0]=4 39671 B12R1.402 CCC(O)CN[C@H]1CC[C@@H]1OC 32ba5dbc9586637f11a6f8acc406e050 [0,2,0,1,0,0|1,0,0]=4 39672 B12R1.402 CCC(O)CN[C@H]1CC[C@H]1OC a0e78156774ec31fbc9fcd882b667f8e [0,2,0,1,0,0|1,0,0]=4 39673 B12R1.402 CCC1CCN1CCC(C)CO 9b2de6d54c6e2537b3e0a6ca4434bc8a [0,2,0,1,0,0|1,0,0]=4 39674 B12R1.402 CCC1CCN1CCS(=O)CC f137cc1e009d02987c6c6e58cae90c16 [0,2,0,1,0,0|1,0,0]=4 39675 B12R1.402 CC[C@@H](C)CNC1CCC1OC 00623ceaedac266b66cc88d4769dae13 [0,2,0,1,0,0|1,0,0]=4 39676 B12R1.402 CC[C@@H](C)CN[C@@H]1CC[C@@H]1OC 623859696780a361f5774b3ccdc65558 [0,2,0,1,0,0|1,0,0]=4 39677 B12R1.402 CC[C@@H](C)CN[C@@H]1CC[C@H]1OC 54a6b0dc0020855093165d9b4efa3fd1 [0,2,0,1,0,0|1,0,0]=4 39678 B12R1.402 CC[C@@H](C)CN[C@H]1CC[C@@H]1OC 8fb99e3fc1578b220947c8058e38b180 [0,2,0,1,0,0|1,0,0]=4 39679 B12R1.402 CC[C@@H](C)CN[C@H]1CC[C@H]1OC 7fc6723f9d9baef864a57e0390ddeb07 [0,2,0,1,0,0|1,0,0]=4 39680 B12R1.402 CC[C@H](C)CNC1CCC1OC 6eceea54f0d1d44b98c33374b39a4432 [0,2,0,1,0,0|1,0,0]=4 39681 B12R1.402 CC[C@H](C)CN[C@@H]1CC[C@@H]1OC caa3ea0247314a14ba8d8d292265cd0f [0,2,0,1,0,0|1,0,0]=4 39682 B12R1.402 CC[C@H](C)CN[C@@H]1CC[C@H]1OC 518cc53f8eec909ce18e556e25156a1f [0,2,0,1,0,0|1,0,0]=4 39683 B12R1.402 CC[C@H](C)CN[C@H]1CC[C@@H]1OC 572d738586b4b82355c04d21ea4e32fb [0,2,0,1,0,0|1,0,0]=4 39684 B12R1.402 CC[C@H](C)CN[C@H]1CC[C@H]1OC 21788911a03105977f2af1c746b0edf3 [0,2,0,1,0,0|1,0,0]=4 39685 B12R1.455 C#CC1CCN(C1)CCCCC 12296b3933871c82cb0a2eeb02cc9242 [0,2,0,1,0,0|1,0,0]=4 39686 B12R1.455 C=CC1CCN(C1)CCCCC 77e9b13c538112237c2eee719e28f72a [0,2,0,1,0,0|1,0,0]=4 39687 B12R1.455 CCC1CCN(C1)CCCCF 49f4af1f18b32d4a36917f514d7a7b79 [0,2,0,1,0,0|1,0,0]=4 39688 B12R1.455 CCC1CCN(C1)CCCCO a4ccd2cb705560f203ea3e4c1887e7bd [0,2,0,1,0,0|1,0,0]=4 39689 B12R1.455 CCC1CCN(C1)CCCOC daa805d7027192b78dcc788e37890e2e [0,2,0,1,0,0|1,0,0]=4 39690 B12R1.455 CCC1CCN(C1)CCCSC 6de9d38a20d159f0d4c6cb8ad294b636 [0,2,0,1,0,0|1,0,0]=4 39691 B12R1.455 CCCCCN1CCC(C1)C#N 74a958ee1b9d60842e2ff79a3b89291c [0,2,0,1,0,0|1,0,0]=4 39692 B12R1.455 CCCCCN1CCC(C1)CC e105b05abfa0c40140385eeab6208b48 [0,2,0,1,0,0|1,0,0]=4 39693 B12R1.455 CCCCCN1CCC(C1)CO 3bd3dea2d392b2bc05baa734ae373459 [0,2,0,1,0,0|1,0,0]=4 39694 B12R1.455 CCCCCN1CCC(C1)OC 87191dfea9f56d3bc24cdaea7514365d [0,2,0,1,0,0|1,0,0]=4 39695 B12R1.455 CCCCCN1CC[C@@H](C1)C#N 8e3dcb562552fa522e1683e18ccb233d [0,2,0,1,0,0|1,0,0]=4 39696 B12R1.455 CCCCCN1CC[C@@H](C1)CO 247d888f557ec04c10cd3955ad6e9bce [0,2,0,1,0,0|1,0,0]=4 39697 B12R1.455 CCCCCN1CC[C@@H](C1)OC 42557b83e24271df37c403e8550c352c [0,2,0,1,0,0|1,0,0]=4 39698 B12R1.455 CCCCCN1CC[C@H](C1)C#N 6ff0e9f46d27e071799c035e0ef42543 [0,2,0,1,0,0|1,0,0]=4 39699 B12R1.455 CCCCCN1CC[C@H](C1)CO 52c276429f2121fd6c7e16fb9f186fdb [0,2,0,1,0,0|1,0,0]=4 39700 B12R1.455 CCCCCN1CC[C@H](C1)OC 33e4d3bdbb68f5a4cb2889ca94ab85f1 [0,2,0,1,0,0|1,0,0]=4 39701 B12R1.455 CCCCNC1CCC(C1)C#N bc9d7c0c5abb10b48c48643fee5acefb [0,2,0,1,0,0|1,0,0]=4 39702 B12R1.455 CCCCNC1CCC(C1)CO 847aee300edaddfff2cb1af7a0f37a29 [0,2,0,1,0,0|1,0,0]=4 39703 B12R1.455 CCCCNC1CCC(C1)OC b1e9886bf0fec24d7a978994747a80af [0,2,0,1,0,0|1,0,0]=4 39704 B12R1.455 CCCCNC1CCN(C1)CC e08898306403d5241568c33fb045e463 [0,2,0,1,0,0|1,0,0]=4 39705 B12R1.455 CCCCN[C@@H]1CCN(C1)CC 212544d44e8f149d4eb24cfc9ecdb4a9 [0,2,0,1,0,0|1,0,0]=4 39706 B12R1.455 CCCCN[C@@H]1CC[C@@H](C1)CO 93babd49cb6c4b232fe3d02deb9b3285 [0,2,0,1,0,0|1,0,0]=4 39707 B12R1.455 CCCCN[C@@H]1CC[C@@H](C1)OC e43d0ff459383fb30af4295c703d1c63 [0,2,0,1,0,0|1,0,0]=4 39708 B12R1.455 CCCCN[C@@H]1CC[C@H](C1)CO dcb1f92afc9ceec5d7e29057edbd1df9 [0,2,0,1,0,0|1,0,0]=4 39709 B12R1.455 CCCCN[C@H]1CCN(C1)CC a393fdce255e069b916f86ad8ab3580f [0,2,0,1,0,0|1,0,0]=4 39710 B12R1.455 CCCCN[C@H]1CC[C@@H](C1)CO 983b4048f6b7422b8dd555fadd23aaef [0,2,0,1,0,0|1,0,0]=4 39711 B12R1.455 CCCCN[C@H]1CC[C@H](C1)CO e05c1f4c6bbdd1be99e15c8abe9d306c [0,2,0,1,0,0|1,0,0]=4 39712 B12R1.455 CCCCOC1CCC(C1)C#N 1687cd5d913d52d401d3af2252ac82a8 [0,2,0,1,0,0|0,0,0]=3 39713 B12R1.455 CCCCOC1CCC(C1)OC 1b50385c73a1289163b228482f518093 [0,2,0,1,0,0|0,0,0]=3 39714 B12R1.455 CCCCOC1CCN(C1)CC 140dd552b04ef283dbcfe0b50a7dda96 [0,2,0,1,0,0|0,0,0]=3 39715 B12R1.455 CCCCO[C@@H]1CC[C@H](C1)C#N 0a8a29c9f25dff6fe5c2831497abfa8b [0,2,0,1,0,0|0,0,0]=3 39716 B12R1.455 CCCCO[C@@H]1CC[C@H](C1)OC e44c3613f75286e7b5c42882d7411343 [0,2,0,1,0,0|0,0,0]=3 39717 B12R1.455 CCCCO[C@H]1CC[C@H](C1)OC 0309798e4b261aa515d2f5bea764cac1 [0,2,0,1,0,0|0,0,0]=3 39718 B12R1.455 CCN1CCC(C1)OCCCF 3deeab130d1eb9d5a684e456c146fc1a [0,2,0,1,0,0|1,0,0]=4 39719 B12R1.455 CCN1CCC(C1)OCCCS 0d47d7fae9b63d0687e4bd7fd067f070 [0,2,0,1,0,0|1,0,0]=4 39720 B12R1.455 CCN1CCC(C1)OCCOC 2d344429f691d1bed12648a725492a31 [0,2,0,1,0,0|1,0,0]=4 39721 B12R1.455 CCN1CCC(C1)OCCSC a81301f7b5ff55488542af23072131a3 [0,2,0,1,0,0|1,0,0]=4 39722 B12R1.455 CCN1CC[C@@H](C1)OCCOC 26545a315ca2c8559cc5918fa94a6dd6 [0,2,0,1,0,0|1,0,0]=4 39723 B12R1.455 CCN1CC[C@H](C1)OCCOC cad6ffab3395c96ca8f8cb7abfafccd8 [0,2,0,1,0,0|1,0,0]=4 39724 B12R1.455 CCOCCN1CCC(C1)CC b831366412c0f5bb319bc1cf397e278f [0,2,0,1,0,0|1,0,0]=4 39725 B12R1.455 CCOCOC1CCC(C1)C#N d5760e810487a91ac1e62bd3aa97b163 [0,2,0,1,0,0|1,0,0]=4 39726 B12R1.455 CCOCOC1CCC(C1)OC e02769d9e2303787e51a82dd02ba648e [0,2,0,1,0,0|1,0,0]=4 39727 B12R1.455 CCOCOC1CCN(C1)CC 1d291cd42b15e22ad9a5fc59d7a2974a [0,2,0,1,0,0|1,0,0]=4 39728 B12R1.455 CCOCO[C@@H]1CC[C@H](C1)C#N 9bf9a6105faef2dc721550518b355e83 [0,2,0,1,0,0|1,0,0]=4 39729 B12R1.455 CCOCO[C@@H]1CC[C@H](C1)OC 866993c6f0e09fd4e4d62095e936db8d [0,2,0,1,0,0|1,0,0]=4 39730 B12R1.455 CCOCO[C@H]1CC[C@H](C1)OC c82ff70e62a22d0b6576af42ce5bc633 [0,2,0,1,0,0|1,0,0]=4 39731 B12R1.455 CCSCCN1CCC(C1)CC deefe6a19af26359785905aec220da68 [0,2,0,1,0,0|1,0,0]=4 39732 B12R1.455 COC1CCC(C1)OCCCF 93ad0227c578783f0eb6b16438922751 [0,2,0,1,0,0|1,0,0]=4 39733 B12R1.455 COC1CCC(C1)OCCCS 40444173db5c2f60ff150d6a899d37b7 [0,2,0,1,0,0|1,0,0]=4 39734 B12R1.455 COC1CCC(C1)OCCSC 027ef4c9dbe7b08f808b8b2f47bf3891 [0,2,0,1,0,0|1,0,0]=4 39735 B12R1.455 COCCOC1CCC(C1)C#N 7a5d00a72459129c8bd906c268a5dca4 [0,2,0,1,0,0|1,0,0]=4 39736 B12R1.455 COCCOC1CCC(C1)OC cd992393ca04879dc680b43fa9b029b2 [0,2,0,1,0,0|1,0,0]=4 39737 B12R1.455 COCCO[C@@H]1CC[C@H](C1)C#N f2c0b5a8cd7b9911f1b8861baf304a1d [0,2,0,1,0,0|1,0,0]=4 39738 B12R1.455 COCCO[C@@H]1CC[C@H](C1)OC c2e0745d8177cd49bd5637818bf297df [0,2,0,1,0,0|1,0,0]=4 39739 B12R1.455 COCCO[C@H]1CC[C@H](C1)OC ffe3e865540db191c3b69f5789ca78b0 [0,2,0,1,0,0|1,0,0]=4 39740 B12R1.455 CO[C@@H]1CC[C@@H](C1)OCCCF a9b96b52c3a8a383422d005e045867ad [0,2,0,1,0,0|1,0,0]=4 39741 B12R1.455 CO[C@@H]1CC[C@@H](C1)OCCCS f6e399231f4565f061aedb9ad7692b24 [0,2,0,1,0,0|1,0,0]=4 39742 B12R1.455 CO[C@@H]1CC[C@@H](C1)OCCSC 0247bf038f2f821b54e224529c58fc06 [0,2,0,1,0,0|1,0,0]=4 39743 B12R1.455 CO[C@@H]1CC[C@H](C1)OCCCF 6c08a7ab4d1763aad603f19f57733fb1 [0,2,0,1,0,0|1,0,0]=4 39744 B12R1.455 CO[C@@H]1CC[C@H](C1)OCCCS 58773fb4cc6db3483b2928386ff3c653 [0,2,0,1,0,0|1,0,0]=4 39745 B12R1.455 CO[C@@H]1CC[C@H](C1)OCCSC 2a242fbe83dff292a0bd41a0ceaaa1d9 [0,2,0,1,0,0|1,0,0]=4 39746 B12R1.455 CSCCOC1CCC(C1)C#N af9cbd17a88fffd11a61f9477fad38b6 [0,2,0,1,0,0|1,0,0]=4 39747 B12R1.455 CSCCO[C@@H]1CC[C@H](C1)C#N d882909f85c6b0bf409fc1d68da2ae6a [0,2,0,1,0,0|1,0,0]=4 39748 B12R1.455 N#CC1CCC(C1)OCCCF 026d8c873b9411d4f250185a6f68d71d [0,2,0,1,0,0|1,0,0]=4 39749 B12R1.455 N#CC1CCC(C1)OCCCS 354f0d9d194fc5e43ab405810db1a234 [0,2,0,1,0,0|1,0,0]=4 39750 B12R1.455 N#C[C@@H]1CC[C@H](C1)OCCCF 8477ad100a4c6b6980ba141a4f04e0d4 [0,2,0,1,0,0|1,0,0]=4 39751 B12R1.455 N#C[C@@H]1CC[C@H](C1)OCCCS 256077449f15cefe1816d1b21acab56c [0,2,0,1,0,0|1,0,0]=4 39752 B12R1.821 C#CCCCCOCC1(CC1)Br a4111c56c419417a3ea1a1587777dd15 [0,2,0,1,0,0|0,0,1]=4 39753 B12R1.821 C#CCCCCOCC1(CC1)C 8b366fd642ea366c3eb34828fec8d861 [0,2,0,1,0,0|0,0,1]=4 39754 B12R1.821 C#CCCCCOCC1(CC1)Cl 40ae7684a217087da77d744a223bdbba [0,2,0,1,0,0|0,0,1]=4 39755 B12R1.821 C#CCCCCOCC1(CC1)F 12f742f7e71109e806a2d026852c5c80 [0,2,0,1,0,0|0,0,1]=4 39756 B12R1.821 C#CCCCOCCC1(CC1)C 448e102aa9c97a6d9ec19f589ee573e3 [0,2,0,1,0,0|0,0,1]=4 39757 B12R1.821 C/C=C/CCCOCC1(CC1)C 1b2658af97f13dba97cb7304eed381cc [0,2,0,1,0,0|0,0,1]=4 39758 B12R1.821 C/C=C/CCCOCC1(CC1)F f7f74b159652fe4e44b3525781e9582d [0,2,0,1,0,0|0,0,1]=4 39759 B12R1.821 C/C=C\CCCOCC1(CC1)Br 28c58e47703c108ee7db9ef8875dff69 [0,2,0,1,0,0|0,0,1]=4 39760 B12R1.821 C/C=C\CCCOCC1(CC1)C 596014a1a753707fa9433ef324d9377b [0,2,0,1,0,0|0,0,1]=4 39761 B12R1.821 C/C=C\CCCOCC1(CC1)Cl c3b2bf7c30542f28ad496ac356886684 [0,2,0,1,0,0|0,0,1]=4 39762 B12R1.821 C/C=C\CCCOCC1(CC1)F 06f4cf222e1c38240b3458370bd0cd1f [0,2,0,1,0,0|0,0,1]=4 39763 B12R1.821 C=CCCCCOCC1(CC1)Br 7c6d95e30707bede201c44564edbdbb4 [0,2,0,1,0,0|0,0,1]=4 39764 B12R1.821 C=CCCCCOCC1(CC1)C 5a6a1180fc083ca45a5b10be2058fc3a [0,2,0,1,0,0|0,0,1]=4 39765 B12R1.821 C=CCCCCOCC1(CC1)Cl 3ea9cce6f262edd4468aa5278301bd59 [0,2,0,1,0,0|0,0,1]=4 39766 B12R1.821 C=CCCCCOCC1(CC1)F 74d7b840af741942d3f81ae2821cfb3c [0,2,0,1,0,0|0,0,1]=4 39767 B12R1.821 C=CCCCOCCC1(CC1)C c39e67a745bb7e90c9eeeada8bb63f31 [0,2,0,1,0,0|0,0,1]=4 39768 B12R1.821 CC#CCCCOCC1(CC1)C 0c19d18e6ba0cba0fe800ef23296ab94 [0,2,0,1,0,0|0,0,1]=4 39769 B12R1.821 CC#CCCCOCC1(CC1)F 7da68c71d3ed63f1458f0b49a71c5037 [0,2,0,1,0,0|0,0,1]=4 39770 B12R1.821 CC/C=C/CCOCC1(CC1)C 196b2076c16db2d9abc6bf3f000d6c7a [0,2,0,1,0,0|0,0,1]=4 39771 B12R1.821 CC/C=C/CCOCC1(CC1)F 9715b9864353b489e0ad18a0e9e1fb8f [0,2,0,1,0,0|0,0,1]=4 39772 B12R1.821 CC/C=C/COCCC1(CC1)C 5e7720701c109b47fa8501b61111b4f2 [0,2,0,1,0,0|0,0,1]=4 39773 B12R1.821 CC/C=C\CCOCC1(CC1)Br 0634c4eb55082e2702f75240c1c4fb0d [0,2,0,1,0,0|0,0,1]=4 39774 B12R1.821 CC/C=C\CCOCC1(CC1)C 31415f017bc741464c92b2c1419cd4db [0,2,0,1,0,0|0,0,1]=4 39775 B12R1.821 CC/C=C\CCOCC1(CC1)Cl 6ee40e2dd910042ec2408cb3c765bc59 [0,2,0,1,0,0|0,0,1]=4 39776 B12R1.821 CC/C=C\CCOCC1(CC1)F 244dfd89b5b1fbaec79a876d614faf15 [0,2,0,1,0,0|0,0,1]=4 39777 B12R1.821 CC1(CC1)CCOCCCC#N c92db1e5195269de3c152b06a01e3a51 [0,2,0,1,0,0|0,0,1]=4 39778 B12R1.821 CC1(CC1)CCOCCCC=O 351a2d539a3780351e71260afa8f6955 [0,2,0,1,0,0|0,0,1]=4 39779 B12R1.821 CC1(CC1)CCOCCCCF 2369ca580435ee0b7e95b87cbf8f83cd [0,2,0,1,0,0|0,0,0]=3 39780 B12R1.821 CC1(CC1)CNCCCCCCl d67f45fd3603a75ecead60364a2b700c [0,2,0,1,0,0|1,0,0]=4 39781 B12R1.821 CC1(CC1)CNCCCCCO 0aee47a52a4437ea48210b65367a610b [0,2,0,1,0,0|1,0,0]=4 39782 B12R1.821 CC1(CC1)COCCCCC#N 7402fa69929e5d7f7e48df4b4c0f0338 [0,2,0,1,0,0|0,0,1]=4 39783 B12R1.821 CC1(CC1)COCCCCC=O d8f9f2109060b20ae34468482bcb76e0 [0,2,0,1,0,0|0,0,1]=4 39784 B12R1.821 CC1(CC1)COCCCCCF 55424d4c9052315385fff17b03d9d974 [0,2,0,1,0,0|0,0,0]=3 39785 B12R1.821 CC1(CC1)COCCOCCF 447bf5558e893df798a35cd79435fdb9 [0,2,0,1,0,0|1,0,0]=4 39786 B12R1.821 CC1(CC1)COCCOCCS 16a275901bb81750522ffd0c626f9213 [0,2,0,1,0,0|1,0,0]=4 39787 B12R1.821 CC=CCCCOCC1(CC1)C 9c366ab62e1387df215271cf7f28072f [0,2,0,1,0,0|0,0,1]=4 39788 B12R1.821 CC=CCCCOCC1(CC1)F 1ac8bc6d136f287ab1a0aa3384a2f4a2 [0,2,0,1,0,0|0,0,1]=4 39789 B12R1.821 CCC#CCCOCC1(CC1)C 449808dfde9511767db72278567f57d5 [0,2,0,1,0,0|0,0,1]=4 39790 B12R1.821 CCC#CCCOCC1(CC1)F 41d86f64c1457df9367d24496084892a [0,2,0,1,0,0|0,0,1]=4 39791 B12R1.821 CCC/C=C/COCC1(CC1)Br 1c4e1aa992600df59907519273cc0417 [0,2,0,1,0,0|0,0,1]=4 39792 B12R1.821 CCC/C=C/COCC1(CC1)C 54db8a793293527421b1658f14bc3b85 [0,2,0,1,0,0|0,0,1]=4 39793 B12R1.821 CCC/C=C/COCC1(CC1)Cl 40f9b9c875a1813608adac886ff16688 [0,2,0,1,0,0|0,0,1]=4 39794 B12R1.821 CCC/C=C/COCC1(CC1)F 42da780e0d5b66cd44b7b8d7425feeb7 [0,2,0,1,0,0|0,0,1]=4 39795 B12R1.821 CCC/C=C\COCC1(CC1)Br b5368b88c47fbb59816bf47a4d056be6 [0,2,0,1,0,0|0,0,1]=4 39796 B12R1.821 CCC/C=C\COCC1(CC1)C b536716ced9ff0036bd4d05ee1c3703d [0,2,0,1,0,0|0,0,1]=4 39797 B12R1.821 CCC/C=C\COCC1(CC1)Cl c322e950ff565a785dc9229b98d18c1e [0,2,0,1,0,0|0,0,1]=4 39798 B12R1.821 CCC/C=C\COCC1(CC1)F a0c423d6a0dbf42d37f04c3cb4ae2e00 [0,2,0,1,0,0|0,0,1]=4 39799 B12R1.821 CCCC#CCOCC1(CC1)C 4f150caefd783455797f31dc7f3d400b [0,2,0,1,0,0|0,0,1]=4 39800 B12R1.821 CCCC#CCOCC1(CC1)F 3d9a7d1a4003f4587e3ac5f04e6efd9e [0,2,0,1,0,0|0,0,1]=4 39801 B12R1.821 CCCCCCCNC1(CC1)C 28c72cc828d7a65930b1292d252ed3b7 [0,2,0,1,0,0|1,0,0]=4 39802 B12R1.821 CCCCCCNCC1(CC1)C d8eab4ce7a05b193b6160d437f2deccd [0,2,0,1,0,0|1,0,0]=4 39803 B12R1.821 CCCCCCNCC1(CC1)F 166bea9f00e2ddd67565768c65ca2480 [0,2,0,1,0,0|1,0,0]=4 39804 B12R1.821 CCCCCCNCC1(CC1)O a5fd5b2136440aca8c41eb6c1ba5c5e9 [0,2,0,1,0,0|1,0,0]=4 39805 B12R1.821 CCCCCCOCC1(CC1)Br d3e9f8bf621a2f87049b014f5841f314 [0,2,0,1,0,0|0,0,0]=3 39806 B12R1.821 CCCCCCOCC1(CC1)C 49195836fcce47c77d94b92ff46ef3a2 [0,2,0,1,0,0|0,0,0]=3 39807 B12R1.821 CCCCCCOCC1(CC1)Cl 512dd98ba020c1db311601d787ce1f5f [0,2,0,1,0,0|0,0,0]=3 39808 B12R1.821 CCCCCCOCC1(CC1)F 660a85053872f51d2c64ba967f804f65 [0,2,0,1,0,0|0,0,0]=3 39809 B12R1.821 CCCCCNCCC1(CC1)O 322779db2f2689cbe9b46e935ec11e0c [0,2,0,1,0,0|1,0,0]=4 39810 B12R1.821 CCCCCOCCC1(CC1)C 7e644059b9ea65ddeb6ecce6dc9ad0e6 [0,2,0,1,0,0|0,0,0]=3 39811 B12R1.821 CCCCOCCNC1(CC1)C 11ba082fe75366a5e560ab2bcbf2efd4 [0,2,0,1,0,0|0,0,0]=3 39812 B12R1.821 CCCCOCNCC1(CC1)F 181d7fedc917f5e0ea3e49bbd6ca0d07 [0,2,0,1,0,0|0,0,0]=3 39813 B12R1.821 CCCCOCNCC1(CC1)O 25ee836725b3c65b5cb563c8e12208d6 [0,2,0,1,0,0|0,0,0]=3 39814 B12R1.821 CCCCOCOCC1(CC1)Br 7ab82df72bab45f31f2ae58f18d1176b [0,2,0,1,0,0|0,0,0]=3 39815 B12R1.821 CCCCOCOCC1(CC1)C f3ddb39251cc6777e8d36f4eeef97128 [0,2,0,1,0,0|0,0,0]=3 39816 B12R1.821 CCCCOCOCC1(CC1)Cl d324d2f1596f38ef1da297b7c734c0d2 [0,2,0,1,0,0|0,0,0]=3 39817 B12R1.821 CCCCOCOCC1(CC1)F d68679cdcac440ab70ecddddb882f026 [0,2,0,1,0,0|0,0,0]=3 39818 B12R1.821 CCCOCCNCC1(CC1)C 915862b159b90c31a8d74cc81344a992 [0,2,0,1,0,0|1,0,0]=4 39819 B12R1.821 CCCOCCNCC1(CC1)F 48a0488c539d5b1a72cb4a32dd95ccb8 [0,2,0,1,0,0|1,0,0]=4 39820 B12R1.821 CCCOCCNCC1(CC1)O 6253119b24dc9f9ec53b680d6018becb [0,2,0,1,0,0|1,0,0]=4 39821 B12R1.821 CCCOCCOCC1(CC1)Br 20d7be17638fc94dbe5a9ec0d52e2930 [0,2,0,1,0,0|0,0,0]=3 39822 B12R1.821 CCCOCCOCC1(CC1)C 8a54b18bec6e7dfaaf9d2ee1e88f7241 [0,2,0,1,0,0|0,0,0]=3 39823 B12R1.821 CCCOCCOCC1(CC1)Cl 3ccd09ac8be2d7dcbe8604cc4389696a [0,2,0,1,0,0|0,0,0]=3 39824 B12R1.821 CCCOCCOCC1(CC1)F 08f9168078e541bc8d9d5af5ee5ab8a9 [0,2,0,1,0,0|0,0,0]=3 39825 B12R1.821 CCCSCCOCC1(CC1)C 72dec266a3f855d69211890d9cde8688 [0,2,0,1,0,0|0,0,0]=3 39826 B12R1.821 CCCSCCOCC1(CC1)F 7183aa17db779f0a1e8c161d144e73cd [0,2,0,1,0,0|0,0,0]=3 39827 B12R1.821 CCOCCCNCC1(CC1)C 73ed137c1d4fee7bd50537990925521a [0,2,0,1,0,0|1,0,0]=4 39828 B12R1.821 CCOCCCNCC1(CC1)F 08eca21cd458197c71f52a62009432bc [0,2,0,1,0,0|1,0,0]=4 39829 B12R1.821 CCOCCCNCC1(CC1)O b4f26a053aa030219b8d5ea943a00183 [0,2,0,1,0,0|1,0,0]=4 39830 B12R1.821 CCOCCCOCC1(CC1)Br a5fd9532a259dacc10ebee336bc6f01b [0,2,0,1,0,0|0,0,0]=3 39831 B12R1.821 CCOCCCOCC1(CC1)C 7dfd1f30cc433b7d6d83860476a4ffb9 [0,2,0,1,0,0|0,0,0]=3 39832 B12R1.821 CCOCCCOCC1(CC1)Cl 16ff89fd7a2b16cd8dcd97600a87d488 [0,2,0,1,0,0|0,0,0]=3 39833 B12R1.821 CCOCCCOCC1(CC1)F ad2e0fdfcb1dd0b4389128e76b394366 [0,2,0,1,0,0|0,0,0]=3 39834 B12R1.821 CCOCCNCCC1(CC1)O c7d6d4a50c343ede6b8fb492c4722bad [0,2,0,1,0,0|1,0,0]=4 39835 B12R1.821 CCOCCOCCC1(CC1)C 117bd226b7f0f879bb004d6f01de062b [0,2,0,1,0,0|0,0,0]=3 39836 B12R1.821 CCSCCCNCC1(CC1)F b81d826d2e1671e3f32fd0dca5470804 [0,2,0,1,0,0|1,0,0]=4 39837 B12R1.821 CCSCCCNCC1(CC1)O 1a4eb449ae256cc9fb0b07beffdd8d94 [0,2,0,1,0,0|1,0,0]=4 39838 B12R1.821 CCSCCCOCC1(CC1)Br 588d052a0855a718dfc8f7d360cbdfe8 [0,2,0,1,0,0|0,0,0]=3 39839 B12R1.821 CCSCCCOCC1(CC1)C 35c0a5188c43f045cddc4d43ec8d5943 [0,2,0,1,0,0|0,0,0]=3 39840 B12R1.821 CCSCCCOCC1(CC1)Cl 73e1506dbcdce7355dfa5baa2971d027 [0,2,0,1,0,0|0,0,0]=3 39841 B12R1.821 CCSCCCOCC1(CC1)F af3d6e4a1e955d08fb7a9e057b39fb21 [0,2,0,1,0,0|0,0,0]=3 39842 B12R1.821 CCSCCNCCC1(CC1)O 62d6bda897fdeb9ea0aa6c800eb40a3a [0,2,0,1,0,0|1,0,0]=4 39843 B12R1.821 CCSCCOCCC1(CC1)C 30a81a04d63594eb554dc5b9ce4e804a [0,2,0,1,0,0|0,0,0]=3 39844 B12R1.821 COCCCCNCC1(CC1)C b922760b6705a0000cf74397b08525ef [0,2,0,1,0,0|1,0,0]=4 39845 B12R1.821 COCCCCNCC1(CC1)F 55e35cbf74b0b9db666538f45d6a19f7 [0,2,0,1,0,0|1,0,0]=4 39846 B12R1.821 COCCCCNCC1(CC1)O f5cf0e317aee085d6ba411640d6e7f27 [0,2,0,1,0,0|1,0,0]=4 39847 B12R1.821 COCCCCOCC1(CC1)Br bc4c57829ae151fd7eb2f7bea6d8e178 [0,2,0,1,0,0|0,0,0]=3 39848 B12R1.821 COCCCCOCC1(CC1)C bd811d2f4b98b2d6b574caa33303c09f [0,2,0,1,0,0|0,0,0]=3 39849 B12R1.821 COCCCCOCC1(CC1)Cl f77a5c5faec8a0f4a6e889285cb6a8d8 [0,2,0,1,0,0|0,0,0]=3 39850 B12R1.821 COCCCCOCC1(CC1)F 180f02c7d434cc62b58f2f330fc07a2d [0,2,0,1,0,0|0,0,0]=3 39851 B12R1.821 COCCCNCCC1(CC1)O ffb6b01872158d7ec3a7ee4521b70ac1 [0,2,0,1,0,0|1,0,0]=4 39852 B12R1.821 COCCCOCCC1(CC1)C dc22fa55220de6ce246195fa9f7de7e9 [0,2,0,1,0,0|0,0,0]=3 39853 B12R1.821 COCCOCCNC1(CC1)C 9f56435f9e97388b195b92fa0c7e74eb [0,2,0,1,0,0|1,0,0]=4 39854 B12R1.821 COCCOCNCC1(CC1)F 15b396c52522728bbdc952431f7d69ad [0,2,0,1,0,0|1,0,0]=4 39855 B12R1.821 COCCOCNCC1(CC1)O efc4505194ce790e5db836d788755ba8 [0,2,0,1,0,0|1,0,0]=4 39856 B12R1.821 COCCOCOCC1(CC1)Br 57cfe14010f95b27a6a0429c1a3a6cb3 [0,2,0,1,0,0|1,0,0]=4 39857 B12R1.821 COCCOCOCC1(CC1)C 7999685a8f44e2ffb692dee08026b35b [0,2,0,1,0,0|1,0,0]=4 39858 B12R1.821 COCCOCOCC1(CC1)Cl 94e74bb9f2050a05e8b0f9e816bdd4a7 [0,2,0,1,0,0|1,0,0]=4 39859 B12R1.821 COCCOCOCC1(CC1)F c29e85ff74e4d1b37b2b0ccb042fdc8d [0,2,0,1,0,0|1,0,0]=4 39860 B12R1.821 COCOCCOCC1(CC1)Br 24c8ccc961f4fc4a91f75e72058a3509 [0,2,0,1,0,0|1,0,0]=4 39861 B12R1.821 COCOCCOCC1(CC1)C 5b3b32c8cbaa1756acb6fe106cf7a535 [0,2,0,1,0,0|1,0,0]=4 39862 B12R1.821 COCOCCOCC1(CC1)Cl 651e53f657332c06a2dc91864d97403a [0,2,0,1,0,0|1,0,0]=4 39863 B12R1.821 COCOCCOCC1(CC1)F a12b43805a92bcdb7ecd61e32ce1fa0a [0,2,0,1,0,0|1,0,0]=4 39864 B12R1.821 CSCCCCNCC1(CC1)C 69280086caba82b76fcfbbccc5d0d6c7 [0,2,0,1,0,0|1,0,0]=4 39865 B12R1.821 CSCCCCNCC1(CC1)F a2e7a120fcd9277e881ea413f35e01d3 [0,2,0,1,0,0|1,0,0]=4 39866 B12R1.821 CSCCCCOCC1(CC1)C 387a41a8ebc9a1040cc4d18ff1011cd1 [0,2,0,1,0,0|0,0,0]=3 39867 B12R1.821 CSCCCCOCC1(CC1)F 750b03eefe030b0cfea66a2340324103 [0,2,0,1,0,0|0,0,0]=3 39868 B12R1.821 CSCCCNCCC1(CC1)O 42332a8ae30e9e7f49948c7d89efa53f [0,2,0,1,0,0|1,0,0]=4 39869 B12R1.821 CSCCCOCCC1(CC1)C d2c4383d7458148d2bfe374f6ce7efc0 [0,2,0,1,0,0|0,0,0]=3 39870 B12R1.821 FC1(CC1)CNCCCCCCl 2e5729c2e61c8f2d0b3ddd9edff2cf7e [0,2,0,1,0,0|1,0,0]=4 39871 B12R1.821 FC1(CC1)COCCOCCS eec9797f917966524cbac4b5d5a09c70 [0,2,0,1,0,0|1,0,0]=4 39872 B12R1.821 FCCCCCNCC1(CC1)F df1985a4b5b8123c9e09d41dad8d64d6 [0,2,0,1,0,0|1,0,0]=4 39873 B12R1.821 FCCCCCOCC1(CC1)Br 13de7631f11dba79a6461bacc473502f [0,2,0,1,0,0|0,0,0]=3 39874 B12R1.821 FCCCCCOCC1(CC1)Cl aa9c95d77bcaa87f50fd7ccb2efa16c8 [0,2,0,1,0,0|0,0,0]=3 39875 B12R1.821 FCCCCCOCC1(CC1)F 9a1972f78048b6bd718d8eb4f4186a8e [0,2,0,1,0,0|0,0,0]=3 39876 B12R1.821 FCCOCCOCC1(CC1)F ca10e70e0f556b40bba563d29bda974c [0,2,0,1,0,0|1,0,0]=4 39877 B12R1.821 N#CCCCCOCC1(CC1)Br bf06c466c4c99ad81d3e2793d1b46c81 [0,2,0,1,0,0|0,0,1]=4 39878 B12R1.821 N#CCCCCOCC1(CC1)Cl baa5a3efb68d71251cc799eee4e7facb [0,2,0,1,0,0|0,0,1]=4 39879 B12R1.821 N#CCCCCOCC1(CC1)F 4234a3641e0c0903b17ecfaef322a7fe [0,2,0,1,0,0|0,0,1]=4 39880 B12R1.821 O=CCCCCOCC1(CC1)Br b8508666198b5929a364e2890946f516 [0,2,0,1,0,0|0,0,1]=4 39881 B12R1.821 O=CCCCCOCC1(CC1)Cl 44648584269f7faf49eb0b8cc17983f3 [0,2,0,1,0,0|0,0,1]=4 39882 B12R1.821 O=CCCCCOCC1(CC1)F 960fe3acec6170cc0789ba3a28cd2df1 [0,2,0,1,0,0|0,0,1]=4 39883 B12R1.821 OC1(CC1)CCNCCCCF 62b6702fd3f29962213e31bfb52a1140 [0,2,0,1,0,0|1,0,0]=4 39884 B12R1.821 OC1(CC1)CNCCCCCF 3823d481ed167ceeeac7153f56e266ed [0,2,0,1,0,0|1,0,0]=4 39885 B12R1.821 OCCCCCNCC1(CC1)F f7022ae3d4373188eca9c2cb69a0fbed [0,2,0,1,0,0|1,0,0]=4 39886 B12R1.821 OCCCCCNCC1(CC1)O 4c6a4bf44cbc30c20423fa99ce319698 [0,2,0,1,0,0|1,0,0]=4 39887 B12R1.821 OCCCCNCCC1(CC1)O f93f1202cae2138659151ec3a9c322e9 [0,2,0,1,0,0|1,0,0]=4 39888 B12R1.1748 CCC(C)CN1CCCCCC1 8bad94c9f346933ee12e6285fd5959bc [0,2,0,1,0,0|1,0,0]=4 39889 B12R1.1748 CCC(C)CN1CCCOCC1 789e6374f9f22197369dd38e2f0e5245 [0,2,0,1,0,0|1,0,0]=4 39890 B12R1.1748 CCC(C)NC1CCCCCC1 4624749b818b7ecad3c8aefb67394ee8 [0,2,0,1,0,0|1,0,0]=4 39891 B12R1.1748 CCC(C)OC1CCCCCC1 42c2d15d93d3d7d8d05005cace926125 [0,2,0,1,0,0|1,0,0]=4 39892 B12R1.1748 CCC(C)OC1COCCOC1 a2bd76e5627b603dcb238447f9043803 [0,2,0,1,0,0|1,0,0]=4 39893 B12R1.1748 CCC(O)CN1CCCCCC1 be3efdb7dbc64e7b0b254b6611a52de8 [0,2,0,1,0,0|1,0,0]=4 39894 B12R1.1748 CCC(O)CN1CCCOCC1 125563f37428a541f6e852bd95bff952 [0,2,0,1,0,0|1,0,0]=4 39895 B12R1.1748 CCN(C)CC1CCCCCC1 9b19d1935401edec4e4cb3f77514a45d [0,2,0,1,0,0|1,0,0]=4 39896 B12R1.1748 CCN(C)CC1COCCOC1 e5ae5dd752f5cdfab96e2bcc376509d1 [0,2,0,1,0,0|1,0,0]=4 39897 B12R1.1748 CC[C@@H](C)CN1CCCCCC1 0b63513875a3c01ac71fd50eb7fd0aa2 [0,2,0,1,0,0|1,0,0]=4 39898 B12R1.1748 CC[C@@H](C)CN1CCCOCC1 687baa46008c84c0107a8ddd8874f52e [0,2,0,1,0,0|1,0,0]=4 39899 B12R1.1748 CC[C@@H](C)NC1CCCCCC1 1e074c55d14775bd1faeb9b2b7b3d088 [0,2,0,1,0,0|1,0,0]=4 39900 B12R1.1748 CC[C@@H](C)OC1CCCCCC1 da14d32e7fbf65384a691fd3c6166ab3 [0,2,0,1,0,0|1,0,0]=4 39901 B12R1.1748 CC[C@H](C)CN1CCCCCC1 75452f129157492f10463f8cbbec5360 [0,2,0,1,0,0|1,0,0]=4 39902 B12R1.1748 CC[C@H](C)CN1CCCOCC1 a6f240c0f5b8336282cea80dbbf9834e [0,2,0,1,0,0|1,0,0]=4 39903 B12R1.1748 CC[C@H](C)NC1CCCCCC1 ce5b241660b4e6914ab77814281623d5 [0,2,0,1,0,0|1,0,0]=4 39904 B12R1.1748 CC[C@H](C)OC1CCCCCC1 e983925b66db7b50ac1fce0a2fd4232b [0,2,0,1,0,0|1,0,0]=4 39905 B12R1.43 CC(C)C(C)NC1CCCCO1 031095c045b8b0fb8ac23181f8653abc [0,2,0,1,0,0|1,0,0]=4 39906 B12R1.43 CC(C)C(C)OC1CCCCO1 82b0b149a02e351612a11d718df5f93a [0,2,0,1,0,0|1,0,0]=4 39907 B12R1.43 CC(C)N(C)CC1CCCCO1 57136e6499a39f5e6423a7edac625b74 [0,2,0,1,0,0|1,0,0]=4 39908 B12R1.43 CC(C)[C@@H](C)NC1CCCCO1 7c928fcd20e762ec0b96ae754e12f431 [0,2,0,1,0,0|1,0,0]=4 39909 B12R1.43 CC(C)[C@@H](C)OC1CCCCO1 9728e9153275bc9960c36b95b110220a [0,2,0,1,0,0|1,0,0]=4 39910 B12R1.43 CC(C)[C@H](C)NC1CCCCO1 f1e776cf54a9e018c7b53e47c2d586d5 [0,2,0,1,0,0|1,0,0]=4 39911 B12R1.43 CC(C)[C@H](C)OC1CCCCO1 3425ea4ca2ea0ae186ad882497af609b [0,2,0,1,0,0|1,0,0]=4 39912 B12R1.43 CC(O)C(C)NC1CCCCO1 49f8092b4ee5839eab27e1a1a1a4c7f1 [0,2,0,1,0,0|1,0,0]=4 39913 B12R1.43 CC(S)C(C)OC1CCCCO1 783fdd77b2e76276205b53ed4d0e6c47 [0,2,0,1,0,0|1,0,0]=4 39914 B12R1.145 CC(C)C(C)CN1CCCC1C ef4832dadcce6862184cc13ace786bb2 [0,2,0,1,0,0|1,0,0]=4 39915 B12R1.145 CC(C)C(C)CN1CCC[C@@H]1C 9388fc47ed130a6a32f380a56db5aa44 [0,2,0,1,0,0|1,0,0]=4 39916 B12R1.145 CC(C)C(C)CN1CCC[C@H]1C 69875dfae19e825fc8bfec14dfde8821 [0,2,0,1,0,0|1,0,0]=4 39917 B12R1.214 CC(C)C(=O)COCC1CC1C d7f1d3e65855fa68513da921d70518d2 [0,2,0,1,0,0|0,0,1]=4 39918 B12R1.214 CC(C)C(=O)COC[C@@H]1C[C@@H]1C 0dd357dacb758bb3fb18871705fdfced [0,2,0,1,0,0|0,0,1]=4 39919 B12R1.214 CC(C)C(=O)COC[C@@H]1C[C@H]1C 74e19fe2656b5abd8b7ba35a28ed6049 [0,2,0,1,0,0|0,0,1]=4 39920 B12R1.214 CC(C)C(=O)COC[C@H]1C[C@@H]1C 483cd9d7879998eb2924c23b1ef0b125 [0,2,0,1,0,0|0,0,1]=4 39921 B12R1.214 CC(C)C(C)COCC1CC1C 024c2b1f7251568a0d4826bd101b7248 [0,2,0,1,0,0|0,0,0]=3 39922 B12R1.214 CC(C)C(C)COC[C@@H]1C[C@@H]1C adf3e64188a4f389a89e133df6e18357 [0,2,0,1,0,0|0,0,0]=3 39923 B12R1.214 CC(C)C(C)COC[C@@H]1C[C@@H]1F 586d96f9394526345ccaf5d983ce8ed3 [0,2,0,1,0,0|1,0,0]=4 39924 B12R1.214 CC(C)C(C)COC[C@@H]1C[C@H]1C 5dc9ffae2ae4abb22c6fdfa1c765215a [0,2,0,1,0,0|0,0,0]=3 39925 B12R1.214 CC(C)C(C)COC[C@@H]1C[C@H]1F 5c7ad31e222c05b61b051bdfd0b3ee91 [0,2,0,1,0,0|1,0,0]=4 39926 B12R1.214 CC(C)C(C)COC[C@H]1C[C@@H]1C 2bc382ac6f2aecb099969edd6f418d0c [0,2,0,1,0,0|0,0,0]=3 39927 B12R1.214 CC(C)C(C)COC[C@H]1C[C@@H]1F 1bb1f0c793582bceb43a48356e8ec2cd [0,2,0,1,0,0|1,0,0]=4 39928 B12R1.214 CC(C)C(C)COC[C@H]1C[C@H]1F 12a2bdef2dfa7aff75ddc943f7f66ca4 [0,2,0,1,0,0|1,0,0]=4 39929 B12R1.231 CC(C)C(C)CN[C@@H]1CC[C@H]1C 97fe5624ccb4f100e17d0944662ceaa2 [0,2,0,1,0,0|1,0,0]=4 39930 B12R1.231 CC(C)C(C)CN[C@H]1CC[C@H]1C dbd74697405ce81b2a6d8ce960bd5daf [0,2,0,1,0,0|1,0,0]=4 39931 B12R1.231 CC(C)C(C)COC1COC1C 744d9fdb66068c915d22363edc1b1788 [0,2,0,1,0,0|1,0,0]=4 39932 B12R1.264 CC(=O)C(C)COC1CCCC1 c368320e084956182bcdf4378b4b71b9 [0,2,0,1,0,0|0,0,1]=4 39933 B12R1.264 CC(C)C(=O)COC1CCCC1 033e27ec6ba46038ed0175f62acf5236 [0,2,0,1,0,0|0,0,1]=4 39934 B12R1.264 CC(C)C(C)CNC1CCCC1 6765255d3996d5bfc482f8d968c1a668 [0,2,0,1,0,0|1,0,0]=4 39935 B12R1.264 CC(C)C(C)COC1CCCC1 80208e2487a9916ba45c783a34ff8905 [0,2,0,1,0,0|0,0,0]=3 39936 B12R1.264 CC(C)C(C)COC1CCCO1 cb5a9b0c8ff9f27e5ba4a21b83fe5344 [0,2,0,1,0,0|1,0,0]=4 39937 B12R1.264 CC(C)C(C)COC1CCOC1 35354d17f9925277bb4cd3634aa67110 [0,2,0,1,0,0|1,0,0]=4 39938 B12R1.264 CC(C)C(C)COC1CCSC1 a35e60687d5df678299d125f99611479 [0,2,0,1,0,0|1,0,0]=4 39939 B12R1.264 CC(C)C(C)CO[C@@H]1CCOC1 8f2f6f13e568c9c16505a2a7004f3d94 [0,2,0,1,0,0|1,0,0]=4 39940 B12R1.264 CC(C)C(C)CO[C@@H]1CCSC1 ae7209f7a6b2161eacc230a2c0e58e70 [0,2,0,1,0,0|1,0,0]=4 39941 B12R1.264 CC(C)C(C)CO[C@H]1CCOC1 c7e5e901ef79d6b5346c6bef3f281f47 [0,2,0,1,0,0|1,0,0]=4 39942 B12R1.264 CC(C)C(C)CO[C@H]1CCSC1 f4c85e258648bb88ec45a3ecda2ee988 [0,2,0,1,0,0|1,0,0]=4 39943 B12R1.264 CC(C)C(O)CNC1CCCC1 173d0f7bbe0cf969336b7dbbb4601f42 [0,2,0,1,0,0|1,0,0]=4 39944 B12R1.264 CC(COC1CCCC1)N(C)C 3a3bf310d80ea8242bc5992eec1bd942 [0,2,0,1,0,0|1,0,0]=4 39945 B12R1.264 C[C@@H](COC1CCCC1)N(C)C 67975134f16a9374da9c13120cebdafe [0,2,0,1,0,0|1,0,0]=4 39946 B12R1.264 C[C@H](COC1CCCC1)N(C)C 59dc70b9d72506888c3533d359d38648 [0,2,0,1,0,0|1,0,0]=4 39947 B12R1.339 CCCCN1CCC(C1(C)C)C a09619e0c17a95fb09243eec3f432455 [0,2,0,1,0,0|1,0,0]=4 39948 B12R1.339 CCCCN1CCC(C1(C)C)O 3e153cddcf5ab31521c8580982f58103 [0,2,0,1,0,0|1,0,0]=4 39949 B12R1.401 CCC1CCN1CC(C)C(C)C 6405ad3bf85f715a91e62ede5b8d8a8e [0,2,0,1,0,0|1,0,0]=4 39950 B12R1.457 CCCCCN1CC(C(C1)Br)O 0d745eb659f450062d06a0d9e34025b0 [0,2,0,1,0,0|1,0,0]=4 39951 B12R1.457 CCCCCN1CC(C(C1)O)C 85fb576eca2a48a68217a531d272096b [0,2,0,1,0,0|1,0,0]=4 39952 B12R1.457 CCCCCN1C[C@@H]([C@H](C1)O)O 42b97dd8aed8e4ea2859cfb52e6e05fc [0,2,0,1,0,0|1,0,0]=4 39953 B12R1.457 CCCCCN1C[C@H]([C@@H](C1)F)O 44bf039d33f4a14618846a88c7b41987 [0,2,0,1,0,0|1,0,0]=4 39954 B12R1.457 CCCCCN1C[C@H]([C@@H](C1)O)O 87b93d691a6b06cafdc19967426f5b6e [0,2,0,1,0,0|1,0,0]=4 39955 B12R1.457 CCCCCN1C[C@H]([C@H](C1)O)C 797c3c7e1499b9ad7c70217ad4ee10c1 [0,2,0,1,0,0|1,0,0]=4 39956 B12R1.457 CCCCCN1C[C@H]([C@H](C1)O)O 65acaa9968b79fe064ce662fbdb77bea [0,2,0,1,0,0|1,0,0]=4 39957 B12R1.457 CCCCO[C@@H]1C[C@@H](N(C1)C)C 90d4c91b28956f52c290b0c6b06f84a6 [0,2,0,1,0,0|1,0,0]=4 39958 B12R1.457 CCCCO[C@@H]1C[C@H](N(C1)C)C ddcab381b5dd2bdc8a7bf6e46713d53c [0,2,0,1,0,0|1,0,0]=4 39959 B12R1.457 CCCCO[C@H]1C[C@@H](N(C1)C)C b66d6748710a7f10e2d4fa0793864739 [0,2,0,1,0,0|1,0,0]=4 39960 B12R1.457 CCCCO[C@H]1C[C@H](N(C1)C)C c88d1411996a13eeaa8a582079ff70fe [0,2,0,1,0,0|1,0,0]=4 39961 B12R1.1335 CC(C)N1CCCCCCCC1 8137bfa2396ba4675a03b4358695e277 [0,2,0,1,0,0|1,0,0]=4 39962 B12R1.1396 CC(=O)C(C)CCOC1CCC1 c5400ba34717886ee6bfb8d878a0c38b [0,2,0,1,0,0|0,0,1]=4 39963 B12R1.1396 CC(=O)C(C)COCC1CCC1 9027581f84db16997b2e505a2b1065a1 [0,2,0,1,0,0|0,0,1]=4 39964 B12R1.1396 CC(C)C(=O)COCC1CCC1 b7ddcfda4b427732a7aa558193932c13 [0,2,0,1,0,0|0,0,1]=4 39965 B12R1.1396 CC(C)C(C)CCOC1CCC1 66a3bb45b72292946be41cae812b41bc [0,2,0,1,0,0|0,0,0]=3 39966 B12R1.1396 CC(C)C(C)CCOC1COC1 22f5e000d3a7e61a12da30bfcd10c79e [0,2,0,1,0,0|1,0,0]=4 39967 B12R1.1396 CC(C)C(C)CNCC1CCC1 90885af22d36e2205dd552eb153bea93 [0,2,0,1,0,0|1,0,0]=4 39968 B12R1.1396 CC(C)C(C)COCC1CCC1 079ff3a603212cd25d40d63d8cf255b1 [0,2,0,1,0,0|0,0,0]=3 39969 B12R1.1396 CC(C)C(C)COCC1CCO1 02d79a2d5a0fe0ce1708fbd01df93227 [0,2,0,1,0,0|1,0,0]=4 39970 B12R1.1396 CC(C)C(C)COCC1COC1 71c22a4846c1fd7b05c7e19d9ec17f84 [0,2,0,1,0,0|1,0,0]=4 39971 B12R1.1396 CC(C)C(C)COCC1CSC1 e8e8bdc4ac3519a25c2856b383732af3 [0,2,0,1,0,0|1,0,0]=4 39972 B12R1.1396 CC(C)C(C)COC[C@@H]1CCO1 6960aad94572323312cdf27535bcef4e [0,2,0,1,0,0|1,0,0]=4 39973 B12R1.1396 CC(C)C(C)COC[C@H]1CCO1 1b0fdb5c0273f524ff99b144423553d0 [0,2,0,1,0,0|1,0,0]=4 39974 B12R1.1396 CC(C)C(O)CNCC1CCC1 4ebe82b11b15dce6e882549f0328a3c7 [0,2,0,1,0,0|1,0,0]=4 39975 B12R1.1396 CC(C)N(C)CCOC1CCC1 b784d2136cdec9851d853ba92607c3b3 [0,2,0,1,0,0|1,0,0]=4 39976 B12R1.1396 CC(CCOC1CCC1)N(C)C 7c5ef2f91e65787679b04f2fcc1c917b [0,2,0,1,0,0|1,0,0]=4 39977 B12R1.1396 CC(COCC1CCC1)N(C)C 23ed5b9a9a3948acd09564ba5a890a2b [0,2,0,1,0,0|1,0,0]=4 39978 B12R1.1396 C[C@@H](COCC1CCC1)N(C)C da49b4e3a78e808d573c72524e78a826 [0,2,0,1,0,0|1,0,0]=4 39979 B12R1.1396 C[C@H](COCC1CCC1)N(C)C f4cccf9ce2bcd6890f4548c84fcd7a23 [0,2,0,1,0,0|1,0,0]=4 39980 B12R1.1397 CC(=O)C(C)CCOCC1CC1 235adbe4e9ce95a54e30007fadcdeada [0,2,0,1,0,0|0,0,1]=4 39981 B12R1.1397 CC(=O)C(C)COCCC1CC1 bcde3b0db97fa5200cc78952909d07ae [0,2,0,1,0,0|0,0,1]=4 39982 B12R1.1397 CC(C)C(=O)COCCC1CC1 da35a1f640d29f756357ddde03f7f2c6 [0,2,0,1,0,0|0,0,1]=4 39983 B12R1.1397 CC(C)C(C)CCOCC1CC1 ed3d64004c86d8ace7c62d4fde7f58f0 [0,2,0,1,0,0|0,0,0]=3 39984 B12R1.1397 CC(C)C(C)CNCCC1CC1 7b3446c44a7c580b0fb6b56c91f5611f [0,2,0,1,0,0|1,0,0]=4 39985 B12R1.1397 CC(C)C(C)COCCC1CC1 c421bfb3ace2b3de59f2956f9982e8b9 [0,2,0,1,0,0|0,0,0]=3 39986 B12R1.1397 CC(C)C(C)COCCN1CC1 8df927d6e6d10d4a6fff92447faa07ad [0,2,0,1,0,0|1,0,0]=4 39987 B12R1.1397 CC(C)C(O)CNCCC1CC1 cf53ddea6d0031d2d1b522ef3b4b79d8 [0,2,0,1,0,0|1,0,0]=4 39988 B12R1.1397 CC(CCOCC1CC1)N(C)C 3585e234ddfd49bdca1e8c8eb2c6eeb8 [0,2,0,1,0,0|1,0,0]=4 39989 B12R1.1397 CC(COCCC1CC1)N(C)C 65c1250ff5e7abeb1ad5e79dd9b1d219 [0,2,0,1,0,0|1,0,0]=4 39990 B12R1.1397 C[C@@H](COCCC1CC1)N(C)C 3f4e812b51e2eef93f340a85af30b902 [0,2,0,1,0,0|1,0,0]=4 39991 B12R1.1397 C[C@H](COCCC1CC1)N(C)C 98a843fc1f6974bba8b809404064fc81 [0,2,0,1,0,0|1,0,0]=4 39992 B12R1.1416 CCCCCN1CC(C1)C(C)O 86910d4474a69eccd7aab8b537eda879 [0,2,0,1,0,0|1,0,0]=4 39993 B12R1.1416 CCCCOC1CC(C1)C(=O)C 4a770d92ed433f268576a3afd52ff2ec [0,2,0,1,0,0|0,0,1]=4 39994 B12R1.1416 CCCCOC1CC(C1)C(F)F ff4dfc96f206a30771ffefe8f5029d94 [0,2,0,1,0,0|1,0,0]=4 39995 B12R1.1416 CCCCOC1CC(C1)N(C)C ffc0ff5eada854819489136e168330c3 [0,2,0,1,0,0|1,0,0]=4 39996 B12R1.1416 CCCCOC1CN(C1)C(C)C 9e45cc38c48fa156d9aab64f7bcf33c7 [0,2,0,1,0,0|1,0,0]=4 39997 B12R1.1416 CCCCO[C@H]1C[C@@H](C1)N(C)C 6ff452f5bcaf4b3ac08d7814baf1de09 [0,2,0,1,0,0|1,0,0]=4 39998 B12R1.1416 CCCCO[C@H]1C[C@H](C1)N(C)C e6bb5b14721ce3c512cc0d42e3d870f7 [0,2,0,1,0,0|1,0,0]=4 39999 B12R1.1995 C#CCCCCOC1CC1(C)C f14e2bb020b06040345476d4bf02dbc9 [0,2,0,1,0,0|0,0,1]=4 40000 B12R1.1995 C#CCCCOCC1CC1(C)C 5401548a90019d5530deebf29e141bc3 [0,2,0,1,0,0|0,0,1]=4 40001 B12R1.1995 C#CCCCOC[C@@H]1CC1(C)C 806b177f42d3d4e23a51a6ca4e9a4ac5 [0,2,0,1,0,0|0,0,1]=4 40002 B12R1.1995 C#CCCCOC[C@H]1CC1(C)C 7611df0a846ef3ca589ec896bd867e77 [0,2,0,1,0,0|0,0,1]=4 40003 B12R1.1995 C/C=C/CCCOC1CC1(C)C 363fcb5102027a1b7ef84d3760fb9de0 [0,2,0,1,0,0|0,0,1]=4 40004 B12R1.1995 C/C=C\CCCOC1CC1(C)C e1db0c4ca368095fe55b62b6e32afdfa [0,2,0,1,0,0|0,0,1]=4 40005 B12R1.1995 C=CCCCCOC1CC1(C)C 873087492cb27fea7b62e066cc654aee [0,2,0,1,0,0|0,0,1]=4 40006 B12R1.1995 C=CCCCOCC1CC1(C)C b76f86482e3ebc2d320b59b9002d3833 [0,2,0,1,0,0|0,0,1]=4 40007 B12R1.1995 C=CCCCOC[C@@H]1CC1(C)C 17103a57bd36c109582d16834934110c [0,2,0,1,0,0|0,0,1]=4 40008 B12R1.1995 C=CCCCOC[C@H]1CC1(C)C 2dc1344612190a2a7c8e64725d2b66a8 [0,2,0,1,0,0|0,0,1]=4 40009 B12R1.1995 CC#CCCCOC1CC1(C)C 1491de3840401892409caa43c7f176dc [0,2,0,1,0,0|0,0,1]=4 40010 B12R1.1995 CC/C=C/CCOC1CC1(C)C f9c9d35db1c20f8ba6143ebd088476d4 [0,2,0,1,0,0|0,0,1]=4 40011 B12R1.1995 CC/C=C/COCC1CC1(C)C d60a0b45d0291b538340e5140f179be7 [0,2,0,1,0,0|0,0,1]=4 40012 B12R1.1995 CC/C=C/COC[C@@H]1CC1(C)C 59057ee991e77924335dfad1c83e5728 [0,2,0,1,0,0|0,0,1]=4 40013 B12R1.1995 CC/C=C/COC[C@H]1CC1(C)C 54ab007792140717716f46d8cb7c63e4 [0,2,0,1,0,0|0,0,1]=4 40014 B12R1.1995 CC/C=C\CCOC1CC1(C)C 19c0a1a5007cfd569c81fb4ed0fcc290 [0,2,0,1,0,0|0,0,1]=4 40015 B12R1.1995 CC1(CC1COCCCC#N)C 22a82c78c88b05211aa018108a4738d0 [0,2,0,1,0,0|0,0,1]=4 40016 B12R1.1995 CC1(CC1COCCCC=O)C f8726b451c7c7798dc6ab1f0f6d8e240 [0,2,0,1,0,0|0,0,1]=4 40017 B12R1.1995 CC1(CC1COCCCCF)C fc7c79051a7b4d783daea935f863ff5d [0,2,0,1,0,0|0,0,0]=3 40018 B12R1.1995 CC1(CC1NCCCCCCl)C 06920bd8cc078ff31d2d55d23f0fbdae [0,2,0,1,0,0|1,0,0]=4 40019 B12R1.1995 CC1(CC1NCCCCCF)C 08e868cd386702e6b878d41d7bc95d4e [0,2,0,1,0,0|1,0,0]=4 40020 B12R1.1995 CC1(CC1NCCCCCO)C 81bf46f279e9de13ba985fa02ccd4eb5 [0,2,0,1,0,0|1,0,0]=4 40021 B12R1.1995 CC1(CC1OCCCCC#N)C 8a592e83896451d218d9fd9e87c6bacb [0,2,0,1,0,0|0,0,1]=4 40022 B12R1.1995 CC1(CC1OCCCCC=O)C f8377c6547cddda615eee2638ba6abd6 [0,2,0,1,0,0|0,0,1]=4 40023 B12R1.1995 CC1(CC1OCCOCCF)C a6c6281113f31f5824bd6768d3a27aec [0,2,0,1,0,0|1,0,0]=4 40024 B12R1.1995 CC1(CC1OCCOCCS)C c08b8982a001589d813d950719ae6e5f [0,2,0,1,0,0|1,0,0]=4 40025 B12R1.1995 CC1(C[C@@H]1CNCCCCF)C 6e7bf174ba012371df321d1b667a9498 [0,2,0,1,0,0|1,0,0]=4 40026 B12R1.1995 CC1(C[C@@H]1CNCCCCO)C c99cab7165a76b5a7f5d484f4a1e239f [0,2,0,1,0,0|1,0,0]=4 40027 B12R1.1995 CC1(C[C@@H]1COCCCC#N)C 20ed60e10097e708c1cbcdb71efd89cf [0,2,0,1,0,0|0,0,1]=4 40028 B12R1.1995 CC1(C[C@@H]1COCCCC=O)C 85ef3d8d1784a88ebb220ff9c05042a4 [0,2,0,1,0,0|0,0,1]=4 40029 B12R1.1995 CC1(C[C@@H]1COCCCCF)C e559cda0acbb909b1ae3b17f139d0d24 [0,2,0,1,0,0|0,0,0]=3 40030 B12R1.1995 CC1(C[C@@H]1NCCCCCF)C 9caa49e5a20776698fdddee089e1cdba [0,2,0,1,0,0|1,0,0]=4 40031 B12R1.1995 CC1(C[C@@H]1NCCCCCO)C 03a49b7921e4b2095f9f568962b346a3 [0,2,0,1,0,0|1,0,0]=4 40032 B12R1.1995 CC1(C[C@H]1CNCCCCF)C 06683347f6761efebe8c65ac31a6176e [0,2,0,1,0,0|1,0,0]=4 40033 B12R1.1995 CC1(C[C@H]1CNCCCCO)C ddc6649d85365ef811b09869af6933a4 [0,2,0,1,0,0|1,0,0]=4 40034 B12R1.1995 CC1(C[C@H]1COCCCC#N)C d581d2620f88cc4f1e0bc953da9962b6 [0,2,0,1,0,0|0,0,1]=4 40035 B12R1.1995 CC1(C[C@H]1COCCCC=O)C 51fac7a96a49cde793be19a442f39d79 [0,2,0,1,0,0|0,0,1]=4 40036 B12R1.1995 CC1(C[C@H]1COCCCCF)C 50e40f029f827f36fa98565cdba403e4 [0,2,0,1,0,0|0,0,0]=3 40037 B12R1.1995 CC1(C[C@H]1NCCCCCF)C fb4e35bfe540a9067a8ecb4d4d452afd [0,2,0,1,0,0|1,0,0]=4 40038 B12R1.1995 CC1(C[C@H]1NCCCCCO)C 8ad62a70e2cbdb7839195a4558e49d38 [0,2,0,1,0,0|1,0,0]=4 40039 B12R1.1995 CC=CCCCOC1CC1(C)C 7fba7280fc924dfcededa0daab3630fa [0,2,0,1,0,0|0,0,1]=4 40040 B12R1.1995 CCC#CCCOC1CC1(C)C 24989bf858fb5de07fd35ecbbc4a4e92 [0,2,0,1,0,0|0,0,1]=4 40041 B12R1.1995 CCC/C=C/COC1CC1(C)C 16fd0fa6bf3b3f980254e918aa794014 [0,2,0,1,0,0|0,0,1]=4 40042 B12R1.1995 CCC/C=C\COC1CC1(C)C 0ac3457aa5f6c97a38232d2dcee62809 [0,2,0,1,0,0|0,0,1]=4 40043 B12R1.1995 CCCC#CCOC1CC1(C)C a24927f3159dff0d3f04455b0c41442d [0,2,0,1,0,0|0,0,1]=4 40044 B12R1.1995 CCCCCCCN1CC1(C)C 3057a3e13def7997ca8b66b115c5c739 [0,2,0,1,0,0|1,0,0]=4 40045 B12R1.1995 CCCCCCNC1CC1(C)C 9f7d89274cfd1c3242aa2134fb7db7a1 [0,2,0,1,0,0|1,0,0]=4 40046 B12R1.1995 CCCCCCN[C@@H]1CC1(C)C 714943d96857704cb34935b3914da5f2 [0,2,0,1,0,0|1,0,0]=4 40047 B12R1.1995 CCCCCCN[C@H]1CC1(C)C 73f39c208c1ea17bac4944735f42ea3c [0,2,0,1,0,0|1,0,0]=4 40048 B12R1.1995 CCCCCCOC1CC1(C)C a7a59cac0db0d58bd7e2967771bf7396 [0,2,0,1,0,0|0,0,0]=3 40049 B12R1.1995 CCCCCCOC1CC1(F)F 137c953bcd88ca4b0c477fe27048035a [0,2,0,1,0,0|1,0,0]=4 40050 B12R1.1995 CCCCCNCC1CC1(F)F cfcd82ae2946c720ed6a8cd7c2b92763 [0,2,0,1,0,0|1,0,0]=4 40051 B12R1.1995 CCCCCNC[C@@H]1CC1(C)C 319ebec165d93774814b433d456fa019 [0,2,0,1,0,0|1,0,0]=4 40052 B12R1.1995 CCCCCNC[C@H]1CC1(C)C df124c82da37ceb7bca854ff1fe3843f [0,2,0,1,0,0|1,0,0]=4 40053 B12R1.1995 CCCCCNC[C@H]1CC1(F)F 53eaa83425f58eda3be6e7e86e618e6f [0,2,0,1,0,0|1,0,0]=4 40054 B12R1.1995 CCCCCOCC1CC1(C)C 286a51bee151c0462a5d3382a9db1143 [0,2,0,1,0,0|0,0,0]=3 40055 B12R1.1995 CCCCCOCC1CC1(F)F 9d4e31e2d4ee0227370bc553c0a383e6 [0,2,0,1,0,0|0,0,0]=3 40056 B12R1.1995 CCCCCOC[C@@H]1CC1(C)C 165e1475b260dbfe02ce9794eff531d4 [0,2,0,1,0,0|0,0,0]=3 40057 B12R1.1995 CCCCCOC[C@@H]1CC1(F)F 8821c14e92fbeca4ccb6a5bedda8869c [0,2,0,1,0,0|0,0,0]=3 40058 B12R1.1995 CCCCCOC[C@H]1CC1(C)C 662cec4efd5c0bad8570a6f70f82de82 [0,2,0,1,0,0|0,0,0]=3 40059 B12R1.1995 CCCCCOC[C@H]1CC1(F)F f8a6b94a4be6b21c3d049667cb847ea9 [0,2,0,1,0,0|0,0,0]=3 40060 B12R1.1995 CCCCNCCC1CC1(F)F 445b80070b96ae5303339e8e0d5a110c [0,2,0,1,0,0|1,0,0]=4 40061 B12R1.1995 CCCCOCCC1CC1(F)F 4629e5bdba79595fc4c8c4144a39415e [0,2,0,1,0,0|0,0,0]=3 40062 B12R1.1995 CCCCOCCN1CC1(C)C fb83ef4f5e7ff0d05b07f92a3634c7f9 [0,2,0,1,0,0|0,0,0]=3 40063 B12R1.1995 CCCCOCNC1CC1(C)C aeb108482e0e38815906c7dfefa014b6 [0,2,0,1,0,0|0,0,0]=3 40064 B12R1.1995 CCCCOCNC1CC1(F)F bbbf1420ed934d2c5664de1ca88df537 [0,2,0,1,0,0|1,0,0]=4 40065 B12R1.1995 CCCCOCN[C@@H]1CC1(C)C 82a67b5b3ecfa5c5116e69560001eec8 [0,2,0,1,0,0|0,0,0]=3 40066 B12R1.1995 CCCCOCN[C@H]1CC1(C)C 1993e89624e7c71e0300c01978435bb5 [0,2,0,1,0,0|0,0,0]=3 40067 B12R1.1995 CCCCOCOC1CC1(F)F 86eb38c87df24e20c7a1142063973592 [0,2,0,1,0,0|1,0,0]=4 40068 B12R1.1995 CCCOCCNC1CC1(C)C 38721ee82759ccbfd06bd98aec29e06d [0,2,0,1,0,0|1,0,0]=4 40069 B12R1.1995 CCCOCCN[C@@H]1CC1(C)C c1a0741894d59ed3f9750c39c894f274 [0,2,0,1,0,0|1,0,0]=4 40070 B12R1.1995 CCCOCCN[C@H]1CC1(C)C 4bfa01319cef4e3d1518f18ea3039919 [0,2,0,1,0,0|1,0,0]=4 40071 B12R1.1995 CCCOCCOC1CC1(C)C 0dba295cf97516943d68ea3fc178e0b4 [0,2,0,1,0,0|0,0,0]=3 40072 B12R1.1995 CCCOCCOC1CC1(F)F 4e773447b5eee42642472ffceaef50be [0,2,0,1,0,0|1,0,0]=4 40073 B12R1.1995 CCCSCCOC1CC1(C)C 8dd03d020251e5feac71e6cc6f344dd5 [0,2,0,1,0,0|0,0,0]=3 40074 B12R1.1995 CCCSCCOC1CC1(F)F 3dda5db2ed3f4846ecab3c25db8acb93 [0,2,0,1,0,0|1,0,0]=4 40075 B12R1.1995 CCOCCCNC1CC1(C)C e7be98ee76cdece4bb9632f19a397c30 [0,2,0,1,0,0|1,0,0]=4 40076 B12R1.1995 CCOCCCN[C@@H]1CC1(C)C af22d241229ab36999801dcd684f7025 [0,2,0,1,0,0|1,0,0]=4 40077 B12R1.1995 CCOCCCN[C@H]1CC1(C)C a676ea462fd42f3c1e8d4c9e96754fb3 [0,2,0,1,0,0|1,0,0]=4 40078 B12R1.1995 CCOCCCOC1CC1(C)C cbf73fd3992cdb55fc7faab640edf551 [0,2,0,1,0,0|0,0,0]=3 40079 B12R1.1995 CCOCCCOC1CC1(F)F 640eb6bc95c45488c8e734947a25af44 [0,2,0,1,0,0|1,0,0]=4 40080 B12R1.1995 CCOCCNC[C@@H]1CC1(C)C 443bf667340cf5a0919f6dabb972fc50 [0,2,0,1,0,0|1,0,0]=4 40081 B12R1.1995 CCOCCNC[C@H]1CC1(C)C 4f9765848490dc8d9ec13a0b431b9c7d [0,2,0,1,0,0|1,0,0]=4 40082 B12R1.1995 CCOCCOCC1CC1(C)C 1fb71c7fc978abbad2b209b11f678a70 [0,2,0,1,0,0|0,0,0]=3 40083 B12R1.1995 CCOCCOCC1CC1(F)F 8f248886f2d610f94173d50db8f6c1ca [0,2,0,1,0,0|1,0,0]=4 40084 B12R1.1995 CCOCCOC[C@@H]1CC1(C)C 81eaf0c14af382e22a24cce897faa32a [0,2,0,1,0,0|0,0,0]=3 40085 B12R1.1995 CCOCCOC[C@@H]1CC1(F)F e3fca8265beeaffb8fcbc56a5bb05fdc [0,2,0,1,0,0|1,0,0]=4 40086 B12R1.1995 CCOCCOC[C@H]1CC1(C)C 10766927bba375f74fcd738ec23dcf70 [0,2,0,1,0,0|0,0,0]=3 40087 B12R1.1995 CCOCCOC[C@H]1CC1(F)F 6d1827ac4318c080217ddd571b1d9489 [0,2,0,1,0,0|1,0,0]=4 40088 B12R1.1995 CCOCOCCC1CC1(F)F 53ba4457a98ea3ebfc757d391bfc5b6c [0,2,0,1,0,0|1,0,0]=4 40089 B12R1.1995 CCSCCCNC1CC1(C)C 5fa707fe30a8971e6d5fcdd93c1c2055 [0,2,0,1,0,0|1,0,0]=4 40090 B12R1.1995 CCSCCCN[C@@H]1CC1(C)C 13318a43f76b7139cea5ca906c47257b [0,2,0,1,0,0|1,0,0]=4 40091 B12R1.1995 CCSCCCN[C@H]1CC1(C)C 56944edf4ad1b120e245a65d6cbb02b4 [0,2,0,1,0,0|1,0,0]=4 40092 B12R1.1995 CCSCCCOC1CC1(C)C a19fb030f97dee82c563391688860ba1 [0,2,0,1,0,0|0,0,0]=3 40093 B12R1.1995 CCSCCCOC1CC1(F)F 5d099536b3fd4b7e8a608f05419d3f9c [0,2,0,1,0,0|1,0,0]=4 40094 B12R1.1995 CCSCCNC[C@@H]1CC1(C)C ab72a9960d2ab2226b98bc148b9801df [0,2,0,1,0,0|1,0,0]=4 40095 B12R1.1995 CCSCCNC[C@H]1CC1(C)C 7401746b6d4c9b83fa6cb6376b48d0b9 [0,2,0,1,0,0|1,0,0]=4 40096 B12R1.1995 CCSCCOCC1CC1(C)C 04f329477ba3d6480c8b3f639d751882 [0,2,0,1,0,0|0,0,0]=3 40097 B12R1.1995 CCSCCOCC1CC1(F)F f12289bc39233b4dd17581a44921c7e0 [0,2,0,1,0,0|1,0,0]=4 40098 B12R1.1995 CCSCCOC[C@@H]1CC1(C)C 2369e034264b6525195578f8fa61a76f [0,2,0,1,0,0|0,0,0]=3 40099 B12R1.1995 CCSCCOC[C@@H]1CC1(F)F c86cd1d712e7800aba6eaec4fd44c77d [0,2,0,1,0,0|1,0,0]=4 40100 B12R1.1995 CCSCCOC[C@H]1CC1(C)C 415e9c9aaf3a532cec56d90d29ae5a28 [0,2,0,1,0,0|0,0,0]=3 40101 B12R1.1995 CCSCCOC[C@H]1CC1(F)F e48b7505bce2d743d0b9db71b8a6f733 [0,2,0,1,0,0|1,0,0]=4 40102 B12R1.1995 COCCCCNC1CC1(C)C e7e10d471d18083d66c7c1bff219b215 [0,2,0,1,0,0|1,0,0]=4 40103 B12R1.1995 COCCCCN[C@@H]1CC1(C)C 6fdcd775549e2ad7559e9bd6f8e835bf [0,2,0,1,0,0|1,0,0]=4 40104 B12R1.1995 COCCCCN[C@H]1CC1(C)C 750cc201fbae419cb1499e93c13fe845 [0,2,0,1,0,0|1,0,0]=4 40105 B12R1.1995 COCCCCOC1CC1(C)C 66a73b136e78f6e735681e707875fbfa [0,2,0,1,0,0|0,0,0]=3 40106 B12R1.1995 COCCCCOC1CC1(F)F d35878744b596015c0c1392fd9252063 [0,2,0,1,0,0|1,0,0]=4 40107 B12R1.1995 COCCCNC[C@@H]1CC1(C)C 567b279d75544f8ae3a05c31684c0340 [0,2,0,1,0,0|1,0,0]=4 40108 B12R1.1995 COCCCNC[C@H]1CC1(C)C 72056c3cf9d025fa1c4f09661ee19c73 [0,2,0,1,0,0|1,0,0]=4 40109 B12R1.1995 COCCCOCC1CC1(C)C d0b055658bdca20dba6338cc9d8d11de [0,2,0,1,0,0|0,0,0]=3 40110 B12R1.1995 COCCCOCC1CC1(F)F 9b32d4e47abbd8bf34a4fc6da576046a [0,2,0,1,0,0|1,0,0]=4 40111 B12R1.1995 COCCCOC[C@@H]1CC1(C)C e09a9f88d303c581bb187567c7475d9c [0,2,0,1,0,0|0,0,0]=3 40112 B12R1.1995 COCCCOC[C@@H]1CC1(F)F 0f24214972f07c8d92a9832fdaeddca0 [0,2,0,1,0,0|1,0,0]=4 40113 B12R1.1995 COCCCOC[C@H]1CC1(C)C 878c604419abfbfd22eb26185c0b715d [0,2,0,1,0,0|0,0,0]=3 40114 B12R1.1995 COCCCOC[C@H]1CC1(F)F b8fa2a484c33c39a5b4810ba4a02b29e [0,2,0,1,0,0|1,0,0]=4 40115 B12R1.1995 COCCOCCC1CC1(F)F b5747640bf2edfae9fcdf00506a144c2 [0,2,0,1,0,0|1,0,0]=4 40116 B12R1.1995 COCCOCCN1CC1(C)C f373548f829b688607455ddc55016150 [0,2,0,1,0,0|1,0,0]=4 40117 B12R1.1995 COCCOCNC1CC1(C)C 7c449206a3521c1b2e8748304e064819 [0,2,0,1,0,0|1,0,0]=4 40118 B12R1.1995 COCCOCN[C@@H]1CC1(C)C db0c91333c3cde28c9e2e67133bf16d1 [0,2,0,1,0,0|1,0,0]=4 40119 B12R1.1995 COCCOCN[C@H]1CC1(C)C a03a67810ff58f00a67a5d47b2e51076 [0,2,0,1,0,0|1,0,0]=4 40120 B12R1.1995 CSCCCCNC1CC1(C)C 45640106b72738575748549089aab8f7 [0,2,0,1,0,0|1,0,0]=4 40121 B12R1.1995 CSCCCCOC1CC1(C)C 234185497de7c9b631e79e474f9ae9a1 [0,2,0,1,0,0|0,0,0]=3 40122 B12R1.1995 CSCCCCOC1CC1(F)F c37f101021fa70e9a31dccede467ba9c [0,2,0,1,0,0|1,0,0]=4 40123 B12R1.1995 CSCCCNC[C@@H]1CC1(C)C a82098bdf36927d5505c255a83a382e0 [0,2,0,1,0,0|1,0,0]=4 40124 B12R1.1995 CSCCCNC[C@H]1CC1(C)C 616a6615d14069903e69a3ee5d398a46 [0,2,0,1,0,0|1,0,0]=4 40125 B12R1.1995 CSCCCOCC1CC1(C)C ffdf5bf5b67089df2690f45c2dadef95 [0,2,0,1,0,0|0,0,0]=3 40126 B12R1.1995 CSCCCOCC1CC1(F)F fb246ab7de998802719357f91e81c55e [0,2,0,1,0,0|1,0,0]=4 40127 B12R1.1995 CSCCCOC[C@@H]1CC1(C)C f772aca0b798d31d5bed5143b448a4a8 [0,2,0,1,0,0|0,0,0]=3 40128 B12R1.1995 CSCCCOC[C@@H]1CC1(F)F d6ebba7b5111464f7c5c5a234fce21c8 [0,2,0,1,0,0|1,0,0]=4 40129 B12R1.1995 CSCCCOC[C@H]1CC1(C)C 3bfd39f4860c51372bcc53e25d04f94e [0,2,0,1,0,0|0,0,0]=3 40130 B12R1.1995 CSCCCOC[C@H]1CC1(F)F 8945cd3d3b8fe8f37ca73ff310fcda78 [0,2,0,1,0,0|1,0,0]=4 40131 B12R1.1995 CSCCOCCC1CC1(F)F 98a88df5f508c64eb07aa09c18f31a4c [0,2,0,1,0,0|1,0,0]=4 40132 B12R1.1995 FC1(CC1CCOCCCS)F c5a20588bf8cd0b7f41752abc1a2b4a2 [0,2,0,1,0,0|1,0,0]=4 40133 B12R1.1995 FC1(CC1COCCCCS)F 3cde6682be9c14a7268b19515281f8ac [0,2,0,1,0,0|1,0,0]=4 40134 B12R1.1995 FC1(C[C@@H]1COCCCCS)F 521a195b54e8e03f97331ed1705efde4 [0,2,0,1,0,0|1,0,0]=4 40135 B12R1.1995 FCCCCCOC1CC1(F)F acaea7eb44f8488cebd746eadba55fad [0,2,0,1,0,0|1,0,0]=4 40136 B12R1.1995 FCCCCOCC1CC1(F)F 278f25470670b51df5e53b5d6fdab7ef [0,2,0,1,0,0|1,0,0]=4 40137 B12R1.1995 FCCCCOC[C@@H]1CC1(F)F 1a5422d30062e43f3f38ebe07d912c21 [0,2,0,1,0,0|1,0,0]=4 40138 B12R1.1995 FCCCCOC[C@H]1CC1(F)F 72602966ebfd977432d25f43357d5659 [0,2,0,1,0,0|1,0,0]=4 40139 B12R1.1995 FCCCOCCC1CC1(F)F f1b917d426d2a972edb6502bc18f08bf [0,2,0,1,0,0|1,0,0]=4 40140 B12R1.46 CCC1COC(CN1C(C)C)C 5847a2ce8c52d54cfad66f4cdfa8fc9c [0,2,0,1,0,0|1,0,0]=4 40141 B12R1.54 CC(C)CCN(C)C1CCCC1 f05bafd80b01df87ea2288513c4bfc80 [0,2,0,1,0,0|1,0,0]=4 40142 B12R1.54 CC(O)CCN(C)C1CCCC1 bc0a7edca2792f5d9c1a570cde93cd97 [0,2,0,1,0,0|1,0,0]=4 40143 B12R1.59 CCC1CCN(C1)CCC(C)C 0a04bd0293b14fa8948ca3d781f522d0 [0,2,0,1,0,0|1,0,0]=4 40144 B12R1.59 CCC1CCN(C1)CCC(C)O 69afac0be583e729a33a2807615be2b0 [0,2,0,1,0,0|1,0,0]=4 40145 B12R1.147 CC(C)CCC(C)NC1CC1C 07f24ebc473a4d724b6c41a0140453e6 [0,2,0,1,0,0|1,0,0]=4 40146 B12R1.210 C=C(C)CN1CCOCCC1C e4804273919dff9066f2a09529555efe [0,2,0,1,0,0|0,0,1]=4 40147 B12R1.210 CC(C)CN1CCCCCC1C 12734b44e39861a5f1a71bd23ec9db6d [0,2,0,1,0,0|1,0,0]=4 40148 B12R1.210 CC(C)CN1CCOCCC1C b07585bd06916f9ae6495809bb69c806 [0,2,0,1,0,0|0,0,0]=3 40149 B12R1.210 CC(C)CN1CCSCCC1C 0c693117fac61356284c356c9b8b4772 [0,2,0,1,0,0|0,1,0]=4 40150 B12R1.210 CC(O)CN1CCCCCC1C 24097186230ad28b9b3fb73e0d0c63bc [0,2,0,1,0,0|1,0,0]=4 40151 B12R1.210 CC(O)CN1CCOCCC1C 95e7ca6fde9e40b684fbfd6752283f21 [0,2,0,1,0,0|0,0,0]=3 40152 B12R1.210 CC(O)CN1CCSCCC1C c0167f5a71f6cbd92c6ddc7ecac53930 [0,2,0,1,0,0|0,1,0]=4 40153 B12R1.210 CC1CCCCCN1C[C@@H](C)O a505e0219aee70a874a749d791fe50e4 [0,2,0,1,0,0|1,0,0]=4 40154 B12R1.210 CC1CCCCCN1C[C@H](C)O 5f8487efc4d7409925de831e5d191737 [0,2,0,1,0,0|1,0,0]=4 40155 B12R1.210 CC1CCOCCN1CC(F)F 122fa36c493084708f1a68ea12967b3d [0,2,0,1,0,0|1,0,0]=4 40156 B12R1.210 CC1CCOCCN1CN(C)C 0c345153ab4705bc686c7bb4f9f464c6 [0,2,0,1,0,0|1,0,0]=4 40157 B12R1.210 CC1CCOCCN1C[C@@H](C)O dc6e7f3f044837fb4e096b4dfcadf899 [0,2,0,1,0,0|0,0,0]=3 40158 B12R1.210 CC1CCOCCN1C[C@H](C)O 2327e91438b2f747fcf78c56ca26d542 [0,2,0,1,0,0|0,0,0]=3 40159 B12R1.210 CC1CCSCCN1C[C@@H](C)O f1e80ca6a29467409c8c308873ebf29a [0,2,0,1,0,0|0,1,0]=4 40160 B12R1.210 CC1CCSCCN1C[C@H](C)O e94d9f0480aa26548473fb685ecb57ab [0,2,0,1,0,0|0,1,0]=4 40161 B12R1.482 CC(CCCCO)NC1CC1C 65700285dbe0c4724b8478ef7dcd10c0 [0,2,0,1,0,0|1,0,0]=4 40162 B12R1.482 CCCCCC(=O)NC1CC1C 332f655a4ce910e2ea1b213a16e0af4e [0,2,0,1,0,0|1,0,0]=4 40163 B12R1.482 CCCCCC(C)NC1CC1C b4db73713fa767be85a948126262beca [0,2,0,1,0,0|1,0,0]=4 40164 B12R1.482 CCCCC[C@H](C)NC1CC1C dc571429f53fe1c480702f937e4a3ec6 [0,2,0,1,0,0|1,0,0]=4 40165 B12R1.484 C=CCCC[C@H](C)OCC1CC1 0ce0185250b10e1cdb2fcd6705f5c002 [0,2,0,1,0,0|0,0,1]=4 40166 B12R1.484 CC(CCCCO)NCC1CC1 147f6342f6889c2c4f5928fc19e09ec4 [0,2,0,1,0,0|1,0,0]=4 40167 B12R1.484 CCC#CCC(C)OCC1CC1 3017151fa265347f2ef8b772063ee1bb [0,2,0,1,0,0|0,0,1]=4 40168 B12R1.484 CCCCCC(=O)CNC1CC1 708c028641513d6869fe0e4f8c93b0b3 [0,2,0,1,0,0|1,0,0]=4 40169 B12R1.484 CCCCCC(=O)COC1CC1 fb8677d6d94f42282dcce3488f7c32e8 [0,2,0,1,0,0|1,0,0]=4 40170 B12R1.484 CCCCCC(=O)NCC1CC1 27f201255ce8dc0cf2b109c12b431482 [0,2,0,1,0,0|1,0,0]=4 40171 B12R1.484 CCCCCC(C)COC1CC1 7b456bcde909fc34dfdaf91da34505b1 [0,2,0,1,0,0|1,0,0]=4 40172 B12R1.484 CCCCCC(C)NCC1CC1 d3724d81882d151ab66808ad8976fe31 [0,2,0,1,0,0|1,0,0]=4 40173 B12R1.484 CCCCCC(C)OCC1CC1 f83ed240a332dac70796e42b248bfd3d [0,2,0,1,0,0|0,0,0]=3 40174 B12R1.484 CCCCCN(C)CCC1CC1 a2aba1c45e3ec021018ac6d5453ef113 [0,2,0,1,0,0|1,0,0]=4 40175 B12R1.484 CCCCC[C@@H](C)OCC1CC1 19007ce4891856efec9a3be016256c18 [0,2,0,1,0,0|0,0,0]=3 40176 B12R1.484 CCCCC[C@H](C)NCC1CC1 90ccb0d8fed1c133746a023923b6a670 [0,2,0,1,0,0|1,0,0]=4 40177 B12R1.484 CCCCC[C@H](C)OCC1CC1 cccf5163cb1b5ba2acd6947c86689b79 [0,2,0,1,0,0|0,0,0]=3 40178 B12R1.484 CCCCNC(=O)CCC1CC1 e0913b625f9cae21ae4ee62277d94ae8 [0,2,0,1,0,0|1,0,0]=4 40179 B12R1.484 CCCCOC(=O)CNC1CC1 14676389cbdeceda1823aad905659aca [0,2,0,1,0,0|0,0,1]=4 40180 B12R1.484 CCCCOC(=O)COC1CC1 d7da073463c44ea9ea2706aa9ba97961 [0,2,0,1,0,0|0,0,1]=4 40181 B12R1.484 CCCCOC(C)C#CC1CC1 90dae7b04e884fb2332e4a60a5dd113b [0,2,0,1,0,0|0,0,1]=4 40182 B12R1.484 CCCOCC(C)OCC1CC1 e26215032b581b431816c2187d54486c [0,2,0,1,0,0|0,0,0]=3 40183 B12R1.484 CCOCCN(C)CCC1CC1 2d99bfbfa39149e1a6ebd5f2b4ae9b40 [0,2,0,1,0,0|1,0,0]=4 40184 B12R1.484 CN(CCCCO)CCC1CC1 4caf558b6358b4a818975e02d8657701 [0,2,0,1,0,0|1,0,0]=4 40185 B12R1.484 COCCCN(C)CCC1CC1 f5850e7c239dd51ba4dfb6de39de79f4 [0,2,0,1,0,0|1,0,0]=4 40186 B12R1.528 CC1(CCC(C1)OCCCF)C c5d22228cf8e3adb2b948f55b41a940a [0,2,0,1,0,0|1,0,0]=4 40187 B12R1.528 CC1(CCC(C1)OCCCS)C 98f777e72dab6099272935f4d2348223 [0,2,0,1,0,0|1,0,0]=4 40188 B12R1.528 CCCCCN1CCC(C1)(C)C eff73ea7fc762ed932690247ffffa23e [0,2,0,1,0,0|1,0,0]=4 40189 B12R1.528 CCCCCN1CCC(C1)(C)F 43ce7fb04fbcd5d06afa3c0f6a670685 [0,2,0,1,0,0|1,0,0]=4 40190 B12R1.528 CCCCCN1CCC(C1)(C)O c45f70d9898075fdd58da6b5de8a28fa [0,2,0,1,0,0|1,0,0]=4 40191 B12R1.528 CCCCCN1CCC(C1)(F)F 7a4a473138c1aa1e89b91a3441208ecf [0,2,0,1,0,0|1,0,0]=4 40192 B12R1.528 CCCCCN1CC[C@@](C1)(C)O d5e8721c8a2dc4be0858322e5509c81e [0,2,0,1,0,0|1,0,0]=4 40193 B12R1.528 CCCCCN1CC[C@](C1)(C)O 68bbe14bdcb47ebe88c41f8e7419d502 [0,2,0,1,0,0|1,0,0]=4 40194 B12R1.528 CCCCNC1CCC(C1)(C)C b3c9baf3a2bfe27adaff23fb70b2f27c [0,2,0,1,0,0|1,0,0]=4 40195 B12R1.528 CCCCNC1CCC(C1)(F)F cccefcbd88574ca4702a8299bbf113c0 [0,2,0,1,0,0|1,0,0]=4 40196 B12R1.528 CCCCOC1CCC(C1)(C)C 70c95c2a7c961e5a8a98683946d5a557 [0,2,0,1,0,0|0,0,0]=3 40197 B12R1.528 CCCCOC1CCC(C1)(F)F 68784d6ce4ac4e8ec8dc800b02c50bba [0,2,0,1,0,0|0,0,0]=3 40198 B12R1.528 CCCCOC1CCS(=O)(=O)C1 bc267ccb6df149af0903aa8e98ca9a9e [0,2,0,1,0,0|1,0,0]=4 40199 B12R1.528 CCCCOC1COC(C1)(C)C 616781040b958eea01e8856cd829215f [0,2,0,1,0,0|1,0,0]=4 40200 B12R1.528 CCCCO[C@@H]1CCC(C1)(F)F 39b38e4eb5f543acf0dcfcdc72464b80 [0,2,0,1,0,0|0,0,0]=3 40201 B12R1.528 CCCCO[C@H]1CCC(C1)(F)F 08b6cd787877a8371006a51b1f10cc67 [0,2,0,1,0,0|0,0,0]=3 40202 B12R1.528 COCCOC1CCC(C1)(C)C 67ed4d8249def83cf54fbec0471c8499 [0,2,0,1,0,0|1,0,0]=4 40203 B12R1.528 COCCOC1CCC(C1)(F)F 7793e737193bb824b99a3112bd098bdb [0,2,0,1,0,0|1,0,0]=4 40204 B12R1.528 COCCO[C@@H]1CCC(C1)(F)F 1fc8657142c84ed414dac147e787ee5b [0,2,0,1,0,0|1,0,0]=4 40205 B12R1.528 COCCO[C@H]1CCC(C1)(F)F f5e856d4118cec2829dbce8f686907fa [0,2,0,1,0,0|1,0,0]=4 40206 B12R1.528 CSCCOC1CCC(C1)(C)C e5abda1cb3db3ffc7a605a6c42e20e03 [0,2,0,1,0,0|1,0,0]=4 40207 B12R1.528 CSCCOC1CCC(C1)(F)F 394434d1763e45c27754cf63249439d2 [0,2,0,1,0,0|1,0,0]=4 40208 B12R1.528 CSCCO[C@@H]1CCC(C1)(F)F 45e185935e878b6a08a01904d117d1c3 [0,2,0,1,0,0|1,0,0]=4 40209 B12R1.528 CSCCO[C@H]1CCC(C1)(F)F 5b7bb6a71d401e1dcebabe484b524d9e [0,2,0,1,0,0|1,0,0]=4 40210 B12R1.528 FC1(CCC(C1)OCCCS)F 3257328ad9955a59d2c103c053f267da [0,2,0,1,0,0|1,0,0]=4 40211 B12R1.528 FC1(CC[C@@H](C1)OCCCS)F de3f5a6a7bb2b52b91d4408d1e5364df [0,2,0,1,0,0|1,0,0]=4 40212 B12R1.528 FC1(CC[C@H](C1)OCCCS)F 812664aa73264e41d1377ce2a0f5c958 [0,2,0,1,0,0|1,0,0]=4 40213 B12R1.528 FCCCOC1CCC(C1)(F)F 945b982027480de9b7fd147e6cba4b5c [0,2,0,1,0,0|1,0,0]=4 40214 B12R1.528 FCCCO[C@@H]1CCC(C1)(F)F 6e656ae812d88db16d6f25dbf60350e0 [0,2,0,1,0,0|1,0,0]=4 40215 B12R1.528 FCCCO[C@H]1CCC(C1)(F)F 283d3e8887e478be1cc09af3b4a32863 [0,2,0,1,0,0|1,0,0]=4 40216 B12R1.551 CC(C)CCC(C)NC1CCC1 0d42c82e8ec3466ec1598a458c027e65 [0,2,0,1,0,0|1,0,0]=4 40217 B12R1.551 CC(C)CCC(C)OC1CCC1 67e0b0603b979e3db400db32db3f3375 [0,2,0,1,0,0|0,0,0]=3 40218 B12R1.551 CC(C)CCC(C)OC1COC1 e834ad0a1c058f9c0e866d89ad7b2c6c [0,2,0,1,0,0|1,0,0]=4 40219 B12R1.551 CC(C)CCC(C)OC1CSC1 3b5a7e26960daa41d50cf0d5f32772a6 [0,2,0,1,0,0|1,0,0]=4 40220 B12R1.551 CC(C)CCN(C)CC1CCC1 9664a03fdfd852bf6958a6d5e6cdae05 [0,2,0,1,0,0|1,0,0]=4 40221 B12R1.551 CC(C)OCC(C)OC1CCC1 1267dc2ff57688f0ac7e4c9696636c75 [0,2,0,1,0,0|1,0,0]=4 40222 B12R1.551 CC(C)OC[C@H](C)OC1CCC1 75c4069c657e99759dff8c063d3f9b82 [0,2,0,1,0,0|1,0,0]=4 40223 B12R1.551 CC(CCN(C)C)OC1CCC1 457b6288b6e7f6fdaf2897879d1e3e82 [0,2,0,1,0,0|1,0,0]=4 40224 B12R1.551 CC(O)CCN(C)CC1CCC1 3c167b5a97c2e5eaab9db2c6e4e30ba5 [0,2,0,1,0,0|1,0,0]=4 40225 B12R1.552 CC(C)CCC(C)NCC1CC1 4157e88e83c0bd62c0b0ceb0628c8bdb [0,2,0,1,0,0|1,0,0]=4 40226 B12R1.552 CC(C)CCC(C)OCC1CC1 0dcb6ba3b4257ac08bc41a1cd681f0ca [0,2,0,1,0,0|0,0,0]=3 40227 B12R1.552 CC(C)CCN(C)CCC1CC1 0901876f12ab59fc8d575fb4cff0e6dc [0,2,0,1,0,0|1,0,0]=4 40228 B12R1.552 CC(C)OCC(C)OCC1CC1 d75f95b3710145c454c54588ffe04449 [0,2,0,1,0,0|1,0,0]=4 40229 B12R1.552 CC(C)OC[C@H](C)OCC1CC1 2ede905e24cf356b38e138be6954b1e8 [0,2,0,1,0,0|1,0,0]=4 40230 B12R1.552 CC(CCN(C)C)OCC1CC1 414c5cb761aac96a8444a29d0c7e57cb [0,2,0,1,0,0|1,0,0]=4 40231 B12R1.552 CC(O)CCN(C)CCC1CC1 460b53b4dba776d228f8c166f750d93a [0,2,0,1,0,0|1,0,0]=4 40232 B12R1.1343 CC(C)CCN1CCCCCC1 b8026f312735234059e45972414b878b [0,2,0,1,0,0|1,0,0]=4 40233 B12R1.1343 CC(C)CCN1CCCOCC1 61ef9dfa3a456cdd52f9d0fe4cd17429 [0,2,0,1,0,0|1,0,0]=4 40234 B12R1.1343 CC(C)CNC1CCCCCC1 326b862169c42b96fad2950ab8c6a2e3 [0,2,0,1,0,0|1,0,0]=4 40235 B12R1.1343 CC(C)COC1CCCCCC1 a543c67eb61bd039825940a0b227907c [0,2,0,1,0,0|1,0,0]=4 40236 B12R1.1343 CC(C)COC1COCCOC1 829d1c180133831687667337d07a8258 [0,2,0,1,0,0|1,0,0]=4 40237 B12R1.1343 CC(C)NCC1CCCCCC1 c2a8e074d5a8dbafdd22e3143e2bd358 [0,2,0,1,0,0|1,0,0]=4 40238 B12R1.1343 CC(C)OCC1CCCCCC1 1d7223bfc94290235c543bbf748d0778 [0,2,0,1,0,0|1,0,0]=4 40239 B12R1.1343 CC(C)OCC1COCCOC1 9137e587ed19bd8997c872b6e6b01b3c [0,2,0,1,0,0|1,0,0]=4 40240 B12R1.1343 CC(F)COC1CCCCCC1 45e8eca45ee0f8bafeb19ea3ec15fa46 [0,2,0,1,0,0|1,0,0]=4 40241 B12R1.1343 CC(O)CCN1CCCCCC1 88e9123459fa44c589502ba38c4aa8b6 [0,2,0,1,0,0|1,0,0]=4 40242 B12R1.1343 CC(O)CCN1CCCOCC1 1d2e16e5e9a8b3e9b4d85b707d5122a3 [0,2,0,1,0,0|1,0,0]=4 40243 B12R1.1343 CC(O)CNC1CCCCCC1 8f9f0b4e0d70b7efda3f98247703d7b8 [0,2,0,1,0,0|1,0,0]=4 40244 B12R1.1343 CC(S)COC1CCCCCC1 516401eb92dadad2ac6ee52d3f144290 [0,2,0,1,0,0|1,0,0]=4 40245 B12R1.1343 C[C@@H](F)COC1CCCCCC1 3c4a1a6e8bdb03da8161a778f1973056 [0,2,0,1,0,0|1,0,0]=4 40246 B12R1.1343 C[C@@H](O)CNC1CCCCCC1 ff8e7e104a44ab8afb24c266502f3528 [0,2,0,1,0,0|1,0,0]=4 40247 B12R1.1343 C[C@H](F)COC1CCCCCC1 cb5d3cc911f4c2488eff8e7f8b8f1d9d [0,2,0,1,0,0|1,0,0]=4 40248 B12R1.1343 C[C@H](O)CNC1CCCCCC1 0d27f221717ea4c206dfb107e1177348 [0,2,0,1,0,0|1,0,0]=4 40249 B12R1.2011 CCCCNC1(CCC(C1)O)C 226c57b209801ebc6894a280737e777f [0,2,0,1,0,0|1,0,0]=4 40250 B12R1.2011 CCCCN[C@]1(CC[C@@H](C1)O)C cc000039fa649b4e508c410b9ec7e8ee [0,2,0,1,0,0|1,0,0]=4 40251 B12R1.2011 CCCCN[C@]1(CC[C@H](C1)O)C 443a542a18cc6d9aae6340e273315692 [0,2,0,1,0,0|1,0,0]=4 40252 B12R1.2132 CCCCCN(C)C1CC1(C)C d2fd34d7a7036996f0eb5c83538b8f6e [0,2,0,1,0,0|1,0,0]=4 40253 B12R1.21 CC(C)CCN1CCC(CC1)C e6a0c01bf047270547428892f651cd31 [0,2,0,1,0,0|1,0,0]=4 40254 B12R1.21 CC(C)CCN1CCC(CC1)Cl d13bb13609c425aa24fbf90c2fa3898f [0,2,0,1,0,0|1,0,0]=4 40255 B12R1.21 CC(C)CCN1CCC(CC1)F f8feca16e88fc6330d065675fcc35894 [0,2,0,1,0,0|1,0,0]=4 40256 B12R1.21 CC(C)CCN1CCC(CC1)I 9660fa20ecac0727bd079a4da5758cf2 [0,2,0,1,0,0|1,0,0]=4 40257 B12R1.21 CC(C)CCN1CCC(CC1)O b1abbccc3785236b8c38faa62583f5cb [0,2,0,1,0,0|1,0,0]=4 40258 B12R1.21 CC(O)CCN1CCC(CC1)C e286413590a6b7de54689c986c32deb0 [0,2,0,1,0,0|1,0,0]=4 40259 B12R1.21 CC(O)CCN1CCC(CC1)Cl a7e708629e1259f6e112b27a2b87fe98 [0,2,0,1,0,0|1,0,0]=4 40260 B12R1.21 CC(O)CCN1CCC(CC1)F a6734e7299cefa07fb255fa9919c6769 [0,2,0,1,0,0|1,0,0]=4 40261 B12R1.21 CC(O)CCN1CCC(CC1)I 466fce4de116a354bb37c8e3229cb6d8 [0,2,0,1,0,0|1,0,0]=4 40262 B12R1.21 CC(O)CCN1CCC(CC1)O 54d2ddd3c498fbd0e3637ddfa7fd3f98 [0,2,0,1,0,0|1,0,0]=4 40263 B12R1.26 C=C(CC)COC1CCC(C1)C f405fb99855eafdeb051c70856851db7 [0,2,0,1,0,0|0,0,1]=4 40264 B12R1.26 C=C(CC)COC1CCC(C1)F c610f900eea9b0a8dddda68cab600683 [0,2,0,1,0,0|0,0,1]=4 40265 B12R1.26 CC1CCC(C1)OCC(O)CO c5821753dc3cd106ff4ff8bec0247767 [0,2,0,1,0,0|1,0,0]=4 40266 B12R1.26 CC1CCC(C1)OC[C@@H](O)CO 7703fb26497891beab22047694ce847a [0,2,0,1,0,0|1,0,0]=4 40267 B12R1.26 CC1CCC(C1)OC[C@H](O)CO 4cb344f735775f585d3bf7716b74304f [0,2,0,1,0,0|1,0,0]=4 40268 B12R1.26 CCC(=O)COC1CCC(C1)C 1b300b2b44c31184b061c19f860db8fe [0,2,0,1,0,0|0,0,1]=4 40269 B12R1.26 CCC(=O)COC1CCC(C1)F a74cc086b7ad764a0ba7a4b2a3c1d585 [0,2,0,1,0,0|0,0,1]=4 40270 B12R1.26 CCC(C)CCN1CCC(C1)C ce316fc57fd2f4c84b5934738841661a [0,2,0,1,0,0|1,0,0]=4 40271 B12R1.26 CCC(C)CCN1CCC(C1)F e95e8827773039aed69d409123a40f40 [0,2,0,1,0,0|1,0,0]=4 40272 B12R1.26 CCC(C)CCN1CCC(C1)O 9ae0040b9c7baac31a4df3aeea776843 [0,2,0,1,0,0|1,0,0]=4 40273 B12R1.26 CCC(C)CCN1CC[C@@H](C1)F c9abb581d4e5495ff9892e199018a71c [0,2,0,1,0,0|1,0,0]=4 40274 B12R1.26 CCC(C)CCN1CC[C@@H](C1)O 04af43165613687093749f38a249978c [0,2,0,1,0,0|1,0,0]=4 40275 B12R1.26 CCC(C)CCN1CC[C@H](C1)F 1d8462b89f4eefc89250c3586b435684 [0,2,0,1,0,0|1,0,0]=4 40276 B12R1.26 CCC(C)CCN1CC[C@H](C1)O 077fc64252db6a2096b3c11b32a30989 [0,2,0,1,0,0|1,0,0]=4 40277 B12R1.26 CCC(C)CNC1CCC(C1)C 42ec13f892995fc0097cf390a509f4d2 [0,2,0,1,0,0|1,0,0]=4 40278 B12R1.26 CCC(C)CNC1CCC(C1)O 19d0443c2fbafc699e0fc9c888296d7f [0,2,0,1,0,0|1,0,0]=4 40279 B12R1.26 CCC(C)CN[C@@H]1CC[C@@H](C1)O 29da9bbf516cd5f6fb76c5df28c97a84 [0,2,0,1,0,0|1,0,0]=4 40280 B12R1.26 CCC(C)CN[C@@H]1CC[C@H](C1)O 00ede254fd85f29be05b2d549037bddf [0,2,0,1,0,0|1,0,0]=4 40281 B12R1.26 CCC(C)CN[C@H]1CC[C@@H](C1)O 4d2396a0293a8bbb463d39d7102981c9 [0,2,0,1,0,0|1,0,0]=4 40282 B12R1.26 CCC(C)CN[C@H]1CC[C@H](C1)O 365b873047d60a20902580c962083091 [0,2,0,1,0,0|1,0,0]=4 40283 B12R1.26 CCC(C)COC1CCC(=O)C1 ddc2daf2fdc2eba619282b89f7ff54e4 [0,2,0,1,0,0|0,0,1]=4 40284 B12R1.26 CCC(C)COC1CCC(C1)C 4323052046cce19ce1e6914c064a9ceb [0,2,0,1,0,0|0,0,0]=3 40285 B12R1.26 CCC(C)COC1CCC(C1)F 2ecd66305226e0533a67ae099e9d2142 [0,2,0,1,0,0|0,0,0]=3 40286 B12R1.26 CCC(C)COC1CCN(C1)C 6d93ab4545b7aae99b48e15365dfad55 [0,2,0,1,0,0|1,0,0]=4 40287 B12R1.26 CCC(C)COC1COC(C1)C 4371d1c20dcba662905908953427f5d1 [0,2,0,1,0,0|1,0,0]=4 40288 B12R1.26 CCC(C)CO[C@@H]1CCN(C1)C e43ac804cb0a2924b1031c83c6db1a48 [0,2,0,1,0,0|1,0,0]=4 40289 B12R1.26 CCC(C)CO[C@H]1CCN(C1)C c4decd43d38c2b70fde40b24b22baa2b [0,2,0,1,0,0|1,0,0]=4 40290 B12R1.26 CCC(O)CNC1CCC(C1)C c9640291524f7e1f50c49a859d4479bb [0,2,0,1,0,0|1,0,0]=4 40291 B12R1.26 CCC(O)CNC1CCC(C1)O 8148a7cffb1ec528b0ab89bb80e0f66c [0,2,0,1,0,0|1,0,0]=4 40292 B12R1.26 CCC(O)CN[C@@H]1CC[C@@H](C1)O 3800c105004e06726e1aa8e28335d580 [0,2,0,1,0,0|1,0,0]=4 40293 B12R1.26 CCC(O)CN[C@@H]1CC[C@H](C1)O fb923dd16251b170adda5471e3e7adc3 [0,2,0,1,0,0|1,0,0]=4 40294 B12R1.26 CCC(O)CN[C@H]1CC[C@@H](C1)O 864c895037d362aecb65738b5b61c5f4 [0,2,0,1,0,0|1,0,0]=4 40295 B12R1.26 CCC(O)CN[C@H]1CC[C@H](C1)O 31208c5a43e029feb1912d875e97ea1e [0,2,0,1,0,0|1,0,0]=4 40296 B12R1.26 CC[C@@H](C)CNC1CCC(C1)C 008e1eabb7a6542c725ec2b3ab96a447 [0,2,0,1,0,0|1,0,0]=4 40297 B12R1.26 CC[C@@H](C)CNC1CCC(C1)O 03c919c34fdce54c8f7e1276168ebd81 [0,2,0,1,0,0|1,0,0]=4 40298 B12R1.26 CC[C@@H](C)CN[C@@H]1CC[C@@H](C1)O f67d24e4a838174d8f12f54abc96480b [0,2,0,1,0,0|1,0,0]=4 40299 B12R1.26 CC[C@@H](C)CN[C@@H]1CC[C@H](C1)O 145fdad355ce873dfb958026d3864abb [0,2,0,1,0,0|1,0,0]=4 40300 B12R1.26 CC[C@@H](C)CN[C@H]1CC[C@@H](C1)O 839c4f60c191788df8d9c05549c25ec8 [0,2,0,1,0,0|1,0,0]=4 40301 B12R1.26 CC[C@@H](C)CN[C@H]1CC[C@H](C1)O 59c5da27df118f76a64cd2c1151f1c80 [0,2,0,1,0,0|1,0,0]=4 40302 B12R1.26 CC[C@@H](C)COC1CCC(=O)C1 62839c0946c5d711e9610ae15d7db490 [0,2,0,1,0,0|0,0,1]=4 40303 B12R1.26 CC[C@@H](C)COC1CCC(C1)C 149d13204cbd05825a1693d2bf9dbae4 [0,2,0,1,0,0|0,0,0]=3 40304 B12R1.26 CC[C@@H](C)COC1CCC(C1)F d29f147361ad6d04ec9370d2ffab6227 [0,2,0,1,0,0|0,0,0]=3 40305 B12R1.26 CC[C@@H](C)COC1CCN(C1)C bbe75992ee285b7d6d6e91be3ae98e41 [0,2,0,1,0,0|1,0,0]=4 40306 B12R1.26 CC[C@@H](C)COC1COC(C1)C 10b91071a65701188bc46dfd764d8f2d [0,2,0,1,0,0|1,0,0]=4 40307 B12R1.26 CC[C@@H](C)CO[C@@H]1CCN(C1)C 81dbd918b18cdc53407263dd7958355e [0,2,0,1,0,0|1,0,0]=4 40308 B12R1.26 CC[C@@H](C)CO[C@H]1CCN(C1)C cea7d8761ffc8712f053c5098fc7f4cd [0,2,0,1,0,0|1,0,0]=4 40309 B12R1.26 CC[C@H](C)CNC1CCC(C1)C f174fc18e7ecfd528a2a287bec17f28f [0,2,0,1,0,0|1,0,0]=4 40310 B12R1.26 CC[C@H](C)CNC1CCC(C1)O 0ea78b79cb1698aa64e1a786bfa58cb7 [0,2,0,1,0,0|1,0,0]=4 40311 B12R1.26 CC[C@H](C)CN[C@@H]1CC[C@@H](C1)O f1b81bb3be0ba7e25e4359e1f36559fa [0,2,0,1,0,0|1,0,0]=4 40312 B12R1.26 CC[C@H](C)CN[C@@H]1CC[C@H](C1)O 883e26cd55f557642a4220ef203ac612 [0,2,0,1,0,0|1,0,0]=4 40313 B12R1.26 CC[C@H](C)CN[C@H]1CC[C@@H](C1)O 1d67dfe91820e993a71b356eb6be5552 [0,2,0,1,0,0|1,0,0]=4 40314 B12R1.26 CC[C@H](C)CN[C@H]1CC[C@H](C1)O 7e4865e4b928295861aeabb2a7d0a39f [0,2,0,1,0,0|1,0,0]=4 40315 B12R1.26 CC[C@H](C)COC1CCC(=O)C1 e4ae0c7903bedf842d573b13b308b6e8 [0,2,0,1,0,0|0,0,1]=4 40316 B12R1.26 CC[C@H](C)COC1CCC(C1)C e0cad4679abf8605cdd84ac93d242025 [0,2,0,1,0,0|0,0,0]=3 40317 B12R1.26 CC[C@H](C)COC1CCC(C1)F 62d5ec27c122bcac2016f8b3a37f883d [0,2,0,1,0,0|0,0,0]=3 40318 B12R1.26 CC[C@H](C)COC1CCN(C1)C 74d848b9f573ba88c6c5ec72ac387d0c [0,2,0,1,0,0|1,0,0]=4 40319 B12R1.26 CC[C@H](C)COC1COC(C1)C cb725937d1b4ad1bc916959d202ece13 [0,2,0,1,0,0|1,0,0]=4 40320 B12R1.26 CC[C@H](C)CO[C@@H]1CCN(C1)C 76148a3b22980c7c314f8666712b2b2b [0,2,0,1,0,0|1,0,0]=4 40321 B12R1.26 CC[C@H](C)CO[C@H]1CCN(C1)C e34b4557ca208675510a35c18c0796d7 [0,2,0,1,0,0|1,0,0]=4 40322 B12R1.26 COC(C)COC1CCC(C1)C 653b1b1e1960771480f75ab9f0cf4ade [0,2,0,1,0,0|1,0,0]=4 40323 B12R1.26 COC(C)COC1CCC(C1)F 634b6cbc8a5ba37cf34bd061b89d44ed [0,2,0,1,0,0|1,0,0]=4 40324 B12R1.26 CO[C@@H](C)COC1CCC(C1)C 6c21792c1d4ab5f524c452bde7728e86 [0,2,0,1,0,0|1,0,0]=4 40325 B12R1.26 CO[C@@H](C)COC1CCC(C1)F f187d7004565410e69f4a61dfd9aed06 [0,2,0,1,0,0|1,0,0]=4 40326 B12R1.26 CO[C@H](C)COC1CCC(C1)C cadf07ec7e06bac468471bcdd3f3ca5d [0,2,0,1,0,0|1,0,0]=4 40327 B12R1.26 CO[C@H](C)COC1CCC(C1)F defaf221a8bfd745ddeb84561b71d556 [0,2,0,1,0,0|1,0,0]=4 40328 B12R1.26 OCC(O)COC1CCC(C1)F 6065ae01d2ca7124e259c7bcf2acfbff [0,2,0,1,0,0|1,0,0]=4 40329 B12R1.26 OC[C@@H](O)COC1CCC(C1)F b0361459ac2def7ddafd108e9e35921f [0,2,0,1,0,0|1,0,0]=4 40330 B12R1.26 OC[C@H](O)COC1CCC(C1)F f5c99bd90916f9ca0656b6b5817daf9b [0,2,0,1,0,0|1,0,0]=4 40331 B12R1.229 C=C(C)CCCN[C@@H]1CC[C@H]1C 6eb3f68f8e5e011dfd24c82a038607dd [0,2,0,1,0,0|1,0,0]=4 40332 B12R1.229 C=C(C)CCCN[C@H]1CC[C@H]1C 6a421fee9a4c3883ea796aab95969167 [0,2,0,1,0,0|1,0,0]=4 40333 B12R1.229 C=C(C)CCCOC1COC1C f14296b4e4b2735222ba0f08b12d2073 [0,2,0,1,0,0|0,0,1]=4 40334 B12R1.229 C=C(C)CCOCC1CCC1F 9a55c4e531a8384817556abd300d6d77 [0,2,0,1,0,0|0,0,1]=4 40335 B12R1.229 C=C(C)CCOCC1CCN1C 57f6bcf03180a4dd878e634995687886 [0,2,0,1,0,0|0,0,1]=4 40336 B12R1.229 C=C(C)CCOC[C@@H]1CCN1C 4562cb445613634b432e07a666a4e3ec [0,2,0,1,0,0|0,0,1]=4 40337 B12R1.229 C=C(C)CCOC[C@H]1CCN1C 649be1e0f5594338f791c1ec638fa35d [0,2,0,1,0,0|0,0,1]=4 40338 B12R1.229 CC(=O)CCCN[C@@H]1CC[C@H]1C ae3ba55c4c5c76126d7eae87df30d420 [0,2,0,1,0,0|1,0,0]=4 40339 B12R1.229 CC(=O)CCCN[C@H]1CC[C@H]1C 8667365698507ddc20123017f98402f7 [0,2,0,1,0,0|1,0,0]=4 40340 B12R1.229 CC(=O)CCCOC1COC1C 89a9e583b66aefc3c1a8f63d3c436f2b [0,2,0,1,0,0|0,0,1]=4 40341 B12R1.229 CC(=O)CCOCC1CCC1F db26d4b42b20a813974efb9d356df594 [0,2,0,1,0,0|0,0,1]=4 40342 B12R1.229 CC(=O)CCOCC1CCN1C 3ad62e1afda92ca2c1a3fea966763b48 [0,2,0,1,0,0|0,0,1]=4 40343 B12R1.229 CC(=O)CCOC[C@@H]1CCN1C 2ced47ca82f47c76355cc09963c0369f [0,2,0,1,0,0|0,0,1]=4 40344 B12R1.229 CC(=O)CCOC[C@H]1CCN1C 186b65a9dbdb05365b81d1d8342c46a5 [0,2,0,1,0,0|0,0,1]=4 40345 B12R1.229 CC(C)CCCNC1CCC1F fa094f8d590b426bec8330bdea5b6c51 [0,2,0,1,0,0|1,0,0]=4 40346 B12R1.229 CC(C)CCCNC1CCC1O 9311cb6416ed89fcbb9d2dad79c0cfb8 [0,2,0,1,0,0|1,0,0]=4 40347 B12R1.229 CC(C)CCCNC1COC1C 043fb471a60a3d54cd0764d8e757b18a [0,2,0,1,0,0|1,0,0]=4 40348 B12R1.229 CC(C)CCCN[C@@H]1CC[C@@H]1O ebc94772a88bd2ed445a16efe1b40936 [0,2,0,1,0,0|1,0,0]=4 40349 B12R1.229 CC(C)CCCN[C@@H]1CC[C@H]1C 81ebacd158e259d652a7b77d966ba789 [0,2,0,1,0,0|1,0,0]=4 40350 B12R1.229 CC(C)CCCN[C@@H]1CC[C@H]1O 4dc2d455d4362603fce08fb1dfb8ca9b [0,2,0,1,0,0|1,0,0]=4 40351 B12R1.229 CC(C)CCCN[C@H]1CC[C@@H]1O 8dfb029d751250fac5841e38fe28bfcb [0,2,0,1,0,0|1,0,0]=4 40352 B12R1.229 CC(C)CCCN[C@H]1CC[C@H]1C 57f13625c349b0567244281fa9c3c900 [0,2,0,1,0,0|1,0,0]=4 40353 B12R1.229 CC(C)CCCN[C@H]1CC[C@H]1O d30128f70dd8c366e8b382378b98c6af [0,2,0,1,0,0|1,0,0]=4 40354 B12R1.229 CC(C)CCCOC1CCC1=O 07a0a7ffa6128561b58de8ad3a1c9c54 [0,2,0,1,0,0|0,0,1]=4 40355 B12R1.229 CC(C)CCCOC1COC1C 2429de5d0df9b179cf3f85359265606c [0,2,0,1,0,0|0,0,0]=3 40356 B12R1.229 CC(C)CCNCC1CCN1C 3ad977e244094653ff8e3798954faa2c [0,2,0,1,0,0|1,0,0]=4 40357 B12R1.229 CC(C)CCOCC1CCC1=O 547c02c982a6fca82e1caeb679f7e4a8 [0,2,0,1,0,0|0,0,1]=4 40358 B12R1.229 CC(C)CCOCC1CCC1F 7cdca1169dbcf51098360258eadf59f0 [0,2,0,1,0,0|0,0,0]=3 40359 B12R1.229 CC(C)CCOCC1CCN1C e9d1eca7a3c2ed1ac7f4ff00c306a625 [0,2,0,1,0,0|0,0,0]=3 40360 B12R1.229 CC(C)CCOC[C@@H]1CCN1C f91fa5e5349e7cb831d55c0d291e217a [0,2,0,1,0,0|0,0,0]=3 40361 B12R1.229 CC(C)CCOC[C@H]1CCN1C 1a6edaa0f52f3e632c3dfdbe25b453fa [0,2,0,1,0,0|0,0,0]=3 40362 B12R1.229 CC(C)OCCN[C@@H]1CC[C@H]1C f56a1281b29ace0186d79a50de3083f2 [0,2,0,1,0,0|1,0,0]=4 40363 B12R1.229 CC(C)OCCN[C@H]1CC[C@H]1C c20e28c00f2be4ee9e5034161ec92d42 [0,2,0,1,0,0|1,0,0]=4 40364 B12R1.229 CC(C)OCCOC1COC1C 0384597eb624d3096db699e0090ea085 [0,2,0,1,0,0|1,0,0]=4 40365 B12R1.229 CC(C)OCOCC1CCC1F 83227653d98366199daeecb8ec25e0cb [0,2,0,1,0,0|1,0,0]=4 40366 B12R1.229 CC(C)OCOCC1CCN1C 3b370ee79dddf1147b007128d7d250f1 [0,2,0,1,0,0|1,0,0]=4 40367 B12R1.229 CC(C)OCOC[C@@H]1CCN1C 2dd04e1a9a2313223988b5c2b1a7722c [0,2,0,1,0,0|1,0,0]=4 40368 B12R1.229 CC(C)OCOC[C@H]1CCN1C 2656ff20672fb98f33501efce0867a81 [0,2,0,1,0,0|1,0,0]=4 40369 B12R1.229 CC(C)SCCN[C@@H]1CC[C@H]1C f2be3aec3057088cebdba471903411d5 [0,2,0,1,0,0|1,0,0]=4 40370 B12R1.229 CC(C)SCCN[C@H]1CC[C@H]1C 38c85eb2e37734c241d4c73ebeda93c2 [0,2,0,1,0,0|1,0,0]=4 40371 B12R1.229 CC(C)SCCOC1COC1C 398ad01e59a4474865239653f087ed5e [0,2,0,1,0,0|1,0,0]=4 40372 B12R1.229 CC(O)CCCNC1CCC1F f91cf98b5f5b32f4a45e1b8efffb0098 [0,2,0,1,0,0|1,0,0]=4 40373 B12R1.229 CC(O)CCCNC1CCC1O 07f701b353b579d51ecb661c0a548fc1 [0,2,0,1,0,0|1,0,0]=4 40374 B12R1.229 CC(O)CCCNC1COC1C 1dd5689941d606e1ee1f8a8f52a3bfb8 [0,2,0,1,0,0|1,0,0]=4 40375 B12R1.229 CC(O)CCCN[C@@H]1CC[C@@H]1O dc19a9f626cdc077856a6b3a126bf0d6 [0,2,0,1,0,0|1,0,0]=4 40376 B12R1.229 CC(O)CCCN[C@@H]1CC[C@H]1C f49922c3ceaf2294c5e48ce72fd9c9a7 [0,2,0,1,0,0|1,0,0]=4 40377 B12R1.229 CC(O)CCCN[C@@H]1CC[C@H]1O 186cbb7c18a5961d2baecb92f8288223 [0,2,0,1,0,0|1,0,0]=4 40378 B12R1.229 CC(O)CCCN[C@H]1CC[C@@H]1O 41a4ab4f8462aae6fc9cbc24a79b1adb [0,2,0,1,0,0|1,0,0]=4 40379 B12R1.229 CC(O)CCCN[C@H]1CC[C@H]1C d0584c099cb2acb5d867307a3f07d4f5 [0,2,0,1,0,0|1,0,0]=4 40380 B12R1.229 CC(O)CCCN[C@H]1CC[C@H]1O fbb30e4e905f9699381b428a6a854b57 [0,2,0,1,0,0|1,0,0]=4 40381 B12R1.229 CC(O)CCNCC1CCN1C 8145717ad4a2e811da775bcefedc8d14 [0,2,0,1,0,0|1,0,0]=4 40382 B12R1.229 CC1OCC1OCCCN(C)C dc0f614ef82adbcbb30236f2dda002af [0,2,0,1,0,0|1,0,0]=4 40383 B12R1.229 CN(C)CCOCC1CCC1F fcd36bc0a245920befbfcb72ed146c6a [0,2,0,1,0,0|1,0,0]=4 40384 B12R1.229 CN(C)CCOCC1CCN1C 79c2bc4e0245f7fc9527c8a2b2c4b1c9 [0,2,0,1,0,0|1,0,0]=4 40385 B12R1.229 CN(C)CCOC[C@@H]1CCN1C dd82bf9ff3fbb2071285691f79871269 [0,2,0,1,0,0|1,0,0]=4 40386 B12R1.229 CN(C)CCOC[C@H]1CCN1C 5014c273b751c29aa6cec05b03148e57 [0,2,0,1,0,0|1,0,0]=4 40387 B12R1.229 CN1CCC1COCCS(=O)C 29d5559b386794f9af3a961dd409cec5 [0,2,0,1,0,0|1,0,0]=4 40388 B12R1.229 CN1CC[C@@H]1COCCS(=O)C dd47add66d6cf7480c9bd494eccfa9b0 [0,2,0,1,0,0|1,0,0]=4 40389 B12R1.229 CN1CC[C@H]1COCCS(=O)C 3f7805b7f53cf746a9c95d5d5a49238f [0,2,0,1,0,0|1,0,0]=4 40390 B12R1.229 CS(=O)CCOCC1CCC1F 4d0af5fdf7e2774255bec66862513d37 [0,2,0,1,0,0|1,0,0]=4 40391 B12R1.229 C[C@@H]1CC[C@@H]1NCCCN(C)C 14a51614794365725f191ab06017b215 [0,2,0,1,0,0|1,0,0]=4 40392 B12R1.229 C[C@@H]1CC[C@H]1NCCCN(C)C 737c04af0a707e1dbe00b21ae17b3ff6 [0,2,0,1,0,0|1,0,0]=4 40393 B12R1.257 C=C(C)CCCNCC1CCC1 87532844ea2ff72f2549ccbec2dae5af [0,2,0,1,0,0|1,0,0]=4 40394 B12R1.257 C=C(C)CCCOCC1CCC1 10e40385bb4eef82d04e7d9e8476f9cd [0,2,0,1,0,0|0,0,0]=3 40395 B12R1.257 C=C(C)CCCOCC1CCO1 bf30f3c9466d1f59638c0287d515034c [0,2,0,1,0,0|0,0,1]=4 40396 B12R1.257 C=C(C)CCCOCC1COC1 68bc3239cbc6b6d3f7638b7f2f215d71 [0,2,0,1,0,0|0,0,1]=4 40397 B12R1.257 C=C(C)CCCOCC1CSC1 f1982654c3d38a579830be68a0092999 [0,2,0,1,0,0|0,0,1]=4 40398 B12R1.257 C=C(C)CCCOC[C@@H]1CCO1 5ebaa54fb2d38756b10d973526f0bbaf [0,2,0,1,0,0|0,0,1]=4 40399 B12R1.257 C=C(C)CCCOC[C@H]1CCO1 d9c1f7fa22dd26d9d4c35f67f033e46e [0,2,0,1,0,0|0,0,1]=4 40400 B12R1.257 C=C(C)CCOCCC1CCC1 70c19607bfc618d87bdefba0e7cde0b3 [0,2,0,1,0,0|0,0,1]=4 40401 B12R1.257 C=C(C)CCOCCC1CCO1 3c421ff10184637f032ef19afcf19cea [0,2,0,1,0,0|0,0,1]=4 40402 B12R1.257 C=C(C)CCOCCC1COC1 f49eb21da7b647ab0b35650b7eafb12a [0,2,0,1,0,0|0,0,1]=4 40403 B12R1.257 C=C(C)CCOCCN1CCC1 07329b674a1afe01f376f70cf316ae76 [0,2,0,1,0,0|0,0,1]=4 40404 B12R1.257 C=C(C)CCOCC[C@@H]1CCO1 eadd7cbbfd0dfd1ceb5d8677b5b08fab [0,2,0,1,0,0|0,0,1]=4 40405 B12R1.257 C=C(C)CCOCC[C@H]1CCO1 b676c84d63c9085aa6119fa501861230 [0,2,0,1,0,0|0,0,1]=4 40406 B12R1.257 C=C(C)CNCCOC1CCC1 a115eb3d3574b0d36b778c4aad9e819a [0,2,0,1,0,0|0,0,1]=4 40407 B12R1.257 C=C(C)COCCOC1CCC1 9dcc398446994919441cd30138f0dfcf [0,2,0,1,0,0|0,0,1]=4 40408 B12R1.257 CC(=CCCOCC1CCC1)C 43d16fb446f818d023cd3146fb16b913 [0,2,0,1,0,0|0,0,1]=4 40409 B12R1.257 CC(=O)CCCCNC1CCC1 b4db55fd0a97b73708647e38a6cea15f [0,2,0,1,0,0|1,0,0]=4 40410 B12R1.257 CC(=O)CCCCOC1CCC1 c935acdd1b4bbc157dc7c158c3291571 [0,2,0,1,0,0|0,0,0]=3 40411 B12R1.257 CC(=O)CCCCOC1COC1 78ef70272d5434fac7345e5cc5442ad1 [0,2,0,1,0,0|1,0,0]=4 40412 B12R1.257 CC(=O)CCCCOC1CSC1 a408721e99c71316a794e76bb0c6f914 [0,2,0,1,0,0|1,0,0]=4 40413 B12R1.257 CC(=O)CCCNCC1CCC1 d958b86e9e0093e24a8412a5ddcf5640 [0,2,0,1,0,0|1,0,0]=4 40414 B12R1.257 CC(=O)CCCOCC1CCC1 742d444b0d64c95aee91fdef9ffa00a8 [0,2,0,1,0,0|0,0,0]=3 40415 B12R1.257 CC(=O)CCCOCC1CCO1 21433e795fbc407ffe30ef272eb2704c [0,2,0,1,0,0|0,0,1]=4 40416 B12R1.257 CC(=O)CCCOCC1COC1 ada0ca17ad40a53ffad77f338ec77432 [0,2,0,1,0,0|0,0,1]=4 40417 B12R1.257 CC(=O)CCCOCC1CSC1 6ae995b015d64a6ab8b138518ccc9b81 [0,2,0,1,0,0|0,0,1]=4 40418 B12R1.257 CC(=O)CCCOC[C@@H]1CCO1 7ebdde8ac248b1edd41f2fc8d3448f18 [0,2,0,1,0,0|0,0,1]=4 40419 B12R1.257 CC(=O)CCCOC[C@H]1CCO1 40e8a9f66937fe9ef4997917f36faf48 [0,2,0,1,0,0|0,0,1]=4 40420 B12R1.257 CC(=O)CCOCCC1CCC1 7fd4128189263f6ed6bd49dea1c016ec [0,2,0,1,0,0|0,0,1]=4 40421 B12R1.257 CC(=O)CCOCCC1CCO1 48beb0e528cfaed073981c280aa11c84 [0,2,0,1,0,0|0,0,1]=4 40422 B12R1.257 CC(=O)CCOCCC1COC1 59a1ab2984fa8f885e6caea38c2399ee [0,2,0,1,0,0|0,0,1]=4 40423 B12R1.257 CC(=O)CCOCCN1CCC1 6e6ecd040d0a37e051b08cea900cbd01 [0,2,0,1,0,0|0,0,1]=4 40424 B12R1.257 CC(=O)CCOCC[C@@H]1CCO1 ae7afea3c49afd0b1dfcfdbdd9288d48 [0,2,0,1,0,0|0,0,1]=4 40425 B12R1.257 CC(=O)CCOCC[C@H]1CCO1 2e485801dacea13e69e32d2ca9bdbdec [0,2,0,1,0,0|0,0,1]=4 40426 B12R1.257 CC(=O)CNCCOC1CCC1 443681ef695e0ea7739d9831f3c8b3a5 [0,2,0,1,0,0|0,0,1]=4 40427 B12R1.257 CC(=O)COCCOC1CCC1 101eed5343fa33253ea63f4930e8c493 [0,2,0,1,0,0|0,0,1]=4 40428 B12R1.257 CC(=O)NCCCOC1CCC1 da38755d99323d7f24214854db63be48 [0,2,0,1,0,0|0,0,1]=4 40429 B12R1.257 CC(=O)NCCOCC1CCC1 9c1e39a36fc64f0413da414781da6c34 [0,2,0,1,0,0|0,0,1]=4 40430 B12R1.257 CC(=O)OCCCOC1CCC1 a6787fb0fd69440782688ec56efa8169 [0,2,0,1,0,0|0,0,1]=4 40431 B12R1.257 CC(=O)OCCOCC1CCC1 8cee9bf9df244beb3b48ea3c8581108b [0,2,0,1,0,0|0,0,1]=4 40432 B12R1.257 CC(=O)SCCCOC1CCC1 b98247fe785cec76d20537f92eed14ba [0,2,0,1,0,0|0,0,1]=4 40433 B12R1.257 CC(=O)SCCOCC1CCC1 7871893b806fef032c98bc8302af0d7c [0,2,0,1,0,0|0,0,1]=4 40434 B12R1.257 CC(=S)OCCCOC1CCC1 08484410dca7572701a133e48e86ef0c [0,2,0,1,0,0|0,0,1]=4 40435 B12R1.257 CC(C)/C=C/COCC1CCC1 9141955676488d9bf8a61cd0c278846e [0,2,0,1,0,0|0,0,1]=4 40436 B12R1.257 CC(C)CCCCCN1CCC1 a35541bdd6204a75f09842f926153c16 [0,2,0,1,0,0|1,0,0]=4 40437 B12R1.257 CC(C)CCCCNC1CCC1 a61c0aa3d0aac17334a68eca33153ee8 [0,2,0,1,0,0|1,0,0]=4 40438 B12R1.257 CC(C)CCCCOC1CCC1 532e85bf65ec5c926938b4a0778e37e9 [0,2,0,1,0,0|0,0,0]=3 40439 B12R1.257 CC(C)CCCCOC1COC1 a76a09a31e815f2b3a21be04e51e724b [0,2,0,1,0,0|1,0,0]=4 40440 B12R1.257 CC(C)CCCCOC1CSC1 fe474d776e63abc3c11f94220261fd67 [0,2,0,1,0,0|1,0,0]=4 40441 B12R1.257 CC(C)CCCNCC1CCC1 c8165ecb605efc907cbcae4dc0cad2ec [0,2,0,1,0,0|1,0,0]=4 40442 B12R1.257 CC(C)CCCNCC1CCO1 a64c859b83b882e8e6120da3e9d64fc6 [0,2,0,1,0,0|1,0,0]=4 40443 B12R1.257 CC(C)CCCNCC1COC1 91dc1e02e403ed3a23266b1c146c88e2 [0,2,0,1,0,0|1,0,0]=4 40444 B12R1.257 CC(C)CCCNC[C@@H]1CCO1 b7ac4d900a7ed006f6173963174152ac [0,2,0,1,0,0|1,0,0]=4 40445 B12R1.257 CC(C)CCCNC[C@H]1CCO1 861f69fa4ef573b662fe55e22cd21803 [0,2,0,1,0,0|1,0,0]=4 40446 B12R1.257 CC(C)CCCOCC1CCC1 6bfe7572b76ea6afc2787259db1b3242 [0,2,0,1,0,0|0,0,0]=3 40447 B12R1.257 CC(C)CCCOCC1CCO1 307e138ee7d14c989376df040d7f7fe5 [0,2,0,1,0,0|0,0,0]=3 40448 B12R1.257 CC(C)CCCOCC1COC1 ada3a6b269ca5d533702305f2b135936 [0,2,0,1,0,0|0,0,0]=3 40449 B12R1.257 CC(C)CCCOCC1CSC1 bec223d5e5743bb4d8a2692ad88ea31c [0,2,0,1,0,0|0,0,0]=3 40450 B12R1.257 CC(C)CCCOC[C@@H]1CCO1 9e28d389c8799606dfb4ec50a9100ea4 [0,2,0,1,0,0|0,0,0]=3 40451 B12R1.257 CC(C)CCCOC[C@H]1CCO1 41e64804c1f0a5d3fc93c94ef3f3ffbd [0,2,0,1,0,0|0,0,0]=3 40452 B12R1.257 CC(C)CCNCCC1CCC1 892d0b1f1297abf2ce12060602553194 [0,2,0,1,0,0|1,0,0]=4 40453 B12R1.257 CC(C)CCNCCC1CCO1 2b74a7c41332011ad0aeaecf5497f1ef [0,2,0,1,0,0|1,0,0]=4 40454 B12R1.257 CC(C)CCNCCC1COC1 5391128a50e74b9a1c84837d642fb768 [0,2,0,1,0,0|1,0,0]=4 40455 B12R1.257 CC(C)CCNCCN1CCC1 fbb3f76ffb76c0dea90b118cb55eb1b5 [0,2,0,1,0,0|1,0,0]=4 40456 B12R1.257 CC(C)CCNCC[C@@H]1CCO1 0e5aad8f756313b920cfe7ca0019df1c [0,2,0,1,0,0|1,0,0]=4 40457 B12R1.257 CC(C)CCOCCC1CCC1 2a800190d191cba1dfab16cb90e98d09 [0,2,0,1,0,0|0,0,0]=3 40458 B12R1.257 CC(C)CCOCCC1CCO1 280f140af322e80678ce11380aa95e01 [0,2,0,1,0,0|0,0,0]=3 40459 B12R1.257 CC(C)CCOCCC1COC1 c0592351f04937dc68dd669ab05afd47 [0,2,0,1,0,0|0,0,0]=3 40460 B12R1.257 CC(C)CCOCCN1CCC1 fa3eda93bb9654577181d8e24308111c [0,2,0,1,0,0|0,0,0]=3 40461 B12R1.257 CC(C)CCOCC[C@@H]1CCO1 d15ec928df4a8db4d0d8050c8996df8e [0,2,0,1,0,0|0,0,0]=3 40462 B12R1.257 CC(C)CCOCC[C@H]1CCO1 f7ad0880cab67e973c9f6933d12950d8 [0,2,0,1,0,0|0,0,0]=3 40463 B12R1.257 CC(C)CNCCOC1CCC1 2016b826b966e3117dc0caca81f798e3 [0,2,0,1,0,0|0,0,0]=3 40464 B12R1.257 CC(C)COCCCC1CCC1 5a2ea7b1f3305cc062e5d87b4c7ff2c5 [0,2,0,1,0,0|1,0,0]=4 40465 B12R1.257 CC(C)COCCNC1CCC1 ecb4960da8eac8070e9cb8518b9f2867 [0,2,0,1,0,0|1,0,0]=4 40466 B12R1.257 CC(C)COCCOC1CCC1 18b3a8cc4b7793be6464eff600283c76 [0,2,0,1,0,0|0,0,0]=3 40467 B12R1.257 CC(C)COCCOC1COC1 aa9a6eb9ea2cddf7a7a9cb8e72c25bcb [0,2,0,1,0,0|1,0,0]=4 40468 B12R1.257 CC(C)COCCOC1CSC1 d84521f5c56b4b22f3b6ba0458681528 [0,2,0,1,0,0|1,0,0]=4 40469 B12R1.257 CC(C)CSCCOC1CCC1 9ad48206394e3a8e5ec085ebe9f479bc [0,2,0,1,0,0|0,0,0]=3 40470 B12R1.257 CC(C)CSCCOC1COC1 d5663102ed61084a4d3c2857d7a87b1c [0,2,0,1,0,0|1,0,0]=4 40471 B12R1.257 CC(C)OCCCNC1CCC1 611c990b6ae712f34491296043f8bf9b [0,2,0,1,0,0|1,0,0]=4 40472 B12R1.257 CC(C)OCCCOC1CCC1 ad43bb17ee99c2e8096ba089c57616a9 [0,2,0,1,0,0|0,0,0]=3 40473 B12R1.257 CC(C)OCCCOC1COC1 971474e797289add0be909040be0d3d9 [0,2,0,1,0,0|1,0,0]=4 40474 B12R1.257 CC(C)OCCNCC1CCC1 4a1ab7d3e489d2023c65abc7215082fc [0,2,0,1,0,0|1,0,0]=4 40475 B12R1.257 CC(C)OCCOCC1CCC1 198cc3beeb8282fc562c6407fa5d5d66 [0,2,0,1,0,0|0,0,0]=3 40476 B12R1.257 CC(C)OCCOCC1CCO1 97b61899323a35d6855567f851606209 [0,2,0,1,0,0|1,0,0]=4 40477 B12R1.257 CC(C)OCCOCC1COC1 339b27ef44a94866221f132673045eb1 [0,2,0,1,0,0|1,0,0]=4 40478 B12R1.257 CC(C)OCCOCC1CSC1 e1a81248208e3b78a52dab5078604966 [0,2,0,1,0,0|1,0,0]=4 40479 B12R1.257 CC(C)OCCOC[C@@H]1CCO1 9ece740b9dd9d5efc3f2787381212996 [0,2,0,1,0,0|1,0,0]=4 40480 B12R1.257 CC(C)OCCOC[C@H]1CCO1 cf8d68ca1dd93ac53a2f22deb3827572 [0,2,0,1,0,0|1,0,0]=4 40481 B12R1.257 CC(C)OCOCCC1CCC1 cafc55dee2cbab414826ac68bfda015c [0,2,0,1,0,0|1,0,0]=4 40482 B12R1.257 CC(C)OCOCCC1CCO1 e63de65a6ed56aee572af945c6fa5b95 [0,2,0,1,0,0|1,0,0]=4 40483 B12R1.257 CC(C)OCOCCC1COC1 236d71178ac5fa2ccc63189fb4f0ec69 [0,2,0,1,0,0|1,0,0]=4 40484 B12R1.257 CC(C)OCOCCN1CCC1 44d11f93dfbe8085a7b9be39996b12a2 [0,2,0,1,0,0|1,0,0]=4 40485 B12R1.257 CC(C)OCOCC[C@@H]1CCO1 a7f78a6fa01d34ffb16d2130ee522980 [0,2,0,1,0,0|1,0,0]=4 40486 B12R1.257 CC(C)OCOCC[C@H]1CCO1 6cb27086aafe6ca5b7ae721b6031b3bb [0,2,0,1,0,0|1,0,0]=4 40487 B12R1.257 CC(C)SCCCNC1CCC1 952976b23afc08db13f13d920c8826e7 [0,2,0,1,0,0|1,0,0]=4 40488 B12R1.257 CC(C)SCCCOC1CCC1 0dd5f348080b49929b85744d5f53269e [0,2,0,1,0,0|0,0,0]=3 40489 B12R1.257 CC(C)SCCCOC1COC1 27f3d5b7300301d2f3227ddf436541da [0,2,0,1,0,0|1,0,0]=4 40490 B12R1.257 CC(C)SCCNCC1CCC1 52a432df8af3247559a9e81dfb1e569f [0,2,0,1,0,0|1,0,0]=4 40491 B12R1.257 CC(C)SCCOCC1CCC1 41c9722d0e20d0992b30d9c14439bb14 [0,2,0,1,0,0|0,0,0]=3 40492 B12R1.257 CC(C)SCCOCC1CCO1 6642eb2130389842f686de35ecd6f313 [0,2,0,1,0,0|1,0,0]=4 40493 B12R1.257 CC(C)SCCOCC1COC1 f14092963091eaac5ace15fe54bd550c [0,2,0,1,0,0|1,0,0]=4 40494 B12R1.257 CC(C)SCCOCC1CSC1 7332f678c89a4acd17db6f77abf11483 [0,2,0,1,0,0|1,0,0]=4 40495 B12R1.257 CC(C)SCCOC[C@@H]1CCO1 a7de3bdd1a0d4c161b803101a696d492 [0,2,0,1,0,0|1,0,0]=4 40496 B12R1.257 CC(C)SCCOC[C@H]1CCO1 c7b75aaf09b18717017dbcbc42c73304 [0,2,0,1,0,0|1,0,0]=4 40497 B12R1.257 CC(F)COCCOC1CCC1 3422b2825c11e787055d980e66163920 [0,2,0,1,0,0|0,0,0]=3 40498 B12R1.257 CC(O)CCCCNC1CCC1 09a3a6695ea3926122d9db9bebe6f05b [0,2,0,1,0,0|1,0,0]=4 40499 B12R1.257 CC(O)CCCNCC1CCC1 c147b05bb5f91696575b37310e592c9b [0,2,0,1,0,0|1,0,0]=4 40500 B12R1.257 CC(O)CCCNCC1CCO1 a44d35bac1b9e4638fe31291f9520233 [0,2,0,1,0,0|1,0,0]=4 40501 B12R1.257 CC(O)CCCNCC1COC1 b9ae47916bedbfa6bdc8329cb338b394 [0,2,0,1,0,0|1,0,0]=4 40502 B12R1.257 CC(O)CCCNC[C@@H]1CCO1 42fcf8190508686f8d0cffcc0d705057 [0,2,0,1,0,0|1,0,0]=4 40503 B12R1.257 CC(O)CCCNC[C@H]1CCO1 0bbe369ecada016736fa5f100b5f1bc9 [0,2,0,1,0,0|1,0,0]=4 40504 B12R1.257 CC(O)CCNCCC1CCC1 71dacf7b917d1af74b019a49ef8645f6 [0,2,0,1,0,0|1,0,0]=4 40505 B12R1.257 CC(O)CCNCCC1CCO1 ea5887f4338c5b41660dc38796885915 [0,2,0,1,0,0|1,0,0]=4 40506 B12R1.257 CC(O)CCNCCC1COC1 d962fd8b44e0965b602bdf6d9bac0a99 [0,2,0,1,0,0|1,0,0]=4 40507 B12R1.257 CC(O)CCNCCN1CCC1 39464af335a4b47eb8ca23d6ba8ee7e0 [0,2,0,1,0,0|1,0,0]=4 40508 B12R1.257 CC(O)CCNCC[C@@H]1CCO1 44452a2b6aaefbdaf3570ae7f56ac759 [0,2,0,1,0,0|1,0,0]=4 40509 B12R1.257 CC(O)CNCCOC1CCC1 f9824b38153ecf4364dae178f1cfe308 [0,2,0,1,0,0|0,0,0]=3 40510 B12R1.257 CC(S)COCCOC1CCC1 efe1f180d41e09bf69a89e12994fc7dd [0,2,0,1,0,0|0,0,0]=3 40511 B12R1.257 CN(C)CCCCNC1CCC1 618c37c869edcec721ef1991bba0648e [0,2,0,1,0,0|1,0,0]=4 40512 B12R1.257 CN(C)CCCCOC1CCC1 3559d6e5b6e069a449fadc2b6acbd755 [0,2,0,1,0,0|0,0,0]=3 40513 B12R1.257 CN(C)CCCCOC1COC1 14de18ce4f8d309d94d9408052c99424 [0,2,0,1,0,0|1,0,0]=4 40514 B12R1.257 CN(C)CCCCOC1CSC1 83c4724f97b8b27b537d85720a4ac159 [0,2,0,1,0,0|1,0,0]=4 40515 B12R1.257 CN(C)CCCNCC1CCC1 746ae91bd3f0be0f13c94797c79387fd [0,2,0,1,0,0|1,0,0]=4 40516 B12R1.257 CN(C)CCCOCC1CCC1 46cc4d0ce71ba3839b47d40a8efc2615 [0,2,0,1,0,0|0,0,0]=3 40517 B12R1.257 CN(C)CCCOCC1CCO1 cdc37326fcac9ad62c20b5cdfa4efa31 [0,2,0,1,0,0|1,0,0]=4 40518 B12R1.257 CN(C)CCCOCC1COC1 b674024bf1c3e591a6a2356e9281b1e6 [0,2,0,1,0,0|1,0,0]=4 40519 B12R1.257 CN(C)CCCOCC1CSC1 4543bbb1c9ac51e4d60146e9397f33df [0,2,0,1,0,0|1,0,0]=4 40520 B12R1.257 CN(C)CCCOC[C@@H]1CCO1 71333230b93144509eac939d25d40d81 [0,2,0,1,0,0|1,0,0]=4 40521 B12R1.257 CN(C)CCCOC[C@H]1CCO1 61c801e4a33a8c767ebb7c1606d9828a [0,2,0,1,0,0|1,0,0]=4 40522 B12R1.257 CN(C)CCOCCC1CCC1 ee21c3db2c0e52bc5c2509a6fdb08b47 [0,2,0,1,0,0|1,0,0]=4 40523 B12R1.257 CN(C)CCOCCC1CCO1 a8aa6fed03add8db78eb89ef533d41d9 [0,2,0,1,0,0|1,0,0]=4 40524 B12R1.257 CN(C)CCOCCC1COC1 530217cd4a21fdd44ff08968721f3f0d [0,2,0,1,0,0|1,0,0]=4 40525 B12R1.257 CN(C)CCOCCN1CCC1 654a9b6db6c03eada851c411e1b4f0cd [0,2,0,1,0,0|1,0,0]=4 40526 B12R1.257 CN(C)CCOCC[C@@H]1CCO1 ba180e39fa3da7658a8f828edcb1ed49 [0,2,0,1,0,0|1,0,0]=4 40527 B12R1.257 CN(C)CCOCC[C@H]1CCO1 81ebf315ff6af7214db4512361e001d5 [0,2,0,1,0,0|1,0,0]=4 40528 B12R1.257 CN(C)COCCOC1CCC1 8e324c1e0ba845b8d73a109df73dab90 [0,2,0,1,0,0|1,0,0]=4 40529 B12R1.257 CS(=O)CCCNCC1CCC1 2b559ff578c208fcf045cee55429621c [0,2,0,1,0,0|1,0,0]=4 40530 B12R1.257 CS(=O)CCOCCC1CCC1 da9c158383d86674bef51c8e823ca61c [0,2,0,1,0,0|1,0,0]=4 40531 B12R1.257 CS(=O)CCOCCC1CCO1 db4e65760bff3a1a130956e21d8af2e7 [0,2,0,1,0,0|1,0,0]=4 40532 B12R1.257 CS(=O)CCOCCC1COC1 828ebdd05a970952e6e7a49cd90a9169 [0,2,0,1,0,0|1,0,0]=4 40533 B12R1.257 CS(=O)CCOCCN1CCC1 29d325f72ac2d9dbd0b1afc2a0d7b888 [0,2,0,1,0,0|1,0,0]=4 40534 B12R1.257 CS(=O)CCOCC[C@@H]1CCO1 760d35c80dfe9d9f7999c56f891e7160 [0,2,0,1,0,0|1,0,0]=4 40535 B12R1.257 CS(=O)CCOCC[C@H]1CCO1 d1946fda8bd4b8aff52095de60416af2 [0,2,0,1,0,0|1,0,0]=4 40536 B12R1.257 C[C@@H](F)COCCOC1CCC1 682a9108b3af646bf39f135fb494372c [0,2,0,1,0,0|0,0,0]=3 40537 B12R1.257 C[C@@H](O)CCCCNC1CCC1 62ea18892c3a89b5090be0a2e3c5ea91 [0,2,0,1,0,0|1,0,0]=4 40538 B12R1.257 C[C@@H](O)CCNCCC1CCC1 f4bcff188f4f38f2964be8ce6a13d35a [0,2,0,1,0,0|1,0,0]=4 40539 B12R1.257 C[C@@H](O)CCNCCC1CCO1 8dc8279d53ab574d172c4478510fdac8 [0,2,0,1,0,0|1,0,0]=4 40540 B12R1.257 C[C@@H](O)CCNCCC1COC1 ca1fc0ad2808134d9a45f8ab88af6e12 [0,2,0,1,0,0|1,0,0]=4 40541 B12R1.257 C[C@@H](O)CNCCOC1CCC1 8aca11c51a2e3bb2811210c9cd44efb4 [0,2,0,1,0,0|0,0,0]=3 40542 B12R1.257 C[C@H](F)COCCOC1CCC1 af6dac3f5b9061bee7016f9ce73e4a86 [0,2,0,1,0,0|0,0,0]=3 40543 B12R1.257 C[C@H](O)CCNCCC1CCC1 0d2cb89910c40c173b588181e3847c97 [0,2,0,1,0,0|1,0,0]=4 40544 B12R1.257 C[C@H](O)CCNCCC1CCO1 a12feec57d2ea1fd4e416b8d2334f1e4 [0,2,0,1,0,0|1,0,0]=4 40545 B12R1.257 C[C@H](O)CCNCCC1COC1 ca0f6141517d7b2d8047f308744f6d70 [0,2,0,1,0,0|1,0,0]=4 40546 B12R1.257 C[C@H](O)CNCCOC1CCC1 a4adbe45d5313a7dd82a7aef60eb32da [0,2,0,1,0,0|0,0,0]=3 40547 B12R1.257 FC(F)CCCCNC1CCC1 0f955a0b61ca262ce6d1717623514113 [0,2,0,1,0,0|1,0,0]=4 40548 B12R1.257 FC(F)CCOCCC1CCC1 7a79f05376ebae2c0aee0b34e7915378 [0,2,0,1,0,0|1,0,0]=4 40549 B12R1.257 FC(F)CCOCCC1CCO1 43f807b2d24a6070827b12a69b4dce74 [0,2,0,1,0,0|1,0,0]=4 40550 B12R1.257 FC(F)CCOCCC1COC1 2180f0862a6e7b300bc5e52adc702292 [0,2,0,1,0,0|1,0,0]=4 40551 B12R1.257 FC(F)CNCCOC1CCC1 47a68d01733f30c85d7f5a8f094bac9f [0,2,0,1,0,0|1,0,0]=4 40552 B12R1.257 FC(F)COCCOC1CCC1 a47d0c3fdcb1149d1514e3308ad87931 [0,2,0,1,0,0|1,0,0]=4 40553 B12R1.257 FC(F)OCCOCC1CCC1 a8114e11f97ca21b3e5c847b0f0cbfaa [0,2,0,1,0,0|1,0,0]=4 40554 B12R1.257 NC(=O)CCCCOC1CCC1 5338e568c19c13d53c7c42dfa7f13438 [0,2,0,1,0,0|0,0,1]=4 40555 B12R1.257 NC(=O)CCCOCC1CCC1 568685786938ae5e7481bdb1d81f4f07 [0,2,0,1,0,0|0,0,1]=4 40556 B12R1.257 O=C(O)CCCCOC1CCC1 1fdb76a3e3b199883a9ad69599b6cb2c [0,2,0,1,0,0|0,0,1]=4 40557 B12R1.257 O=[N+]([O-])CCCCOC1CCC1 f225d79df949d215dfe68b923ebdc23b [0,2,0,1,0,0|1,0,0]=4 40558 B12R1.257 O=[N+]([O-])CCCOCC1CCC1 05313ae99f836c58af504043fdf8cc99 [0,2,0,1,0,0|1,0,0]=4 40559 B12R1.430 CC(C)CCO[C@H]1C[C@H](C1)CF ef7f3dc2710de121e68c81cadefb8db6 [0,2,0,1,0,0|1,0,0]=4 40560 B12R1.430 CCC1CN(C1)CCCC(C)C 665903e0d8b7249b3ffa717ba8a6d8f6 [0,2,0,1,0,0|1,0,0]=4 40561 B12R1.430 CCC1CN(C1)CCCC(C)O dbe511475162f7ea20f87d9005914e86 [0,2,0,1,0,0|1,0,0]=4 40562 B12R1.430 CCN1CC(C1)OCCC(C)C 075b5aefd77946e58fd44254be11c416 [0,2,0,1,0,0|1,0,0]=4 40563 B12R1.430 COC1CC(C1)OCCC(C)C e20fb6891bd07bbe018876d949e3cbf2 [0,2,0,1,0,0|1,0,0]=4 40564 B12R1.430 CO[C@H]1C[C@@H](C1)OCCC(C)C b8262b6d882783c6330949c2fbdcc1bb [0,2,0,1,0,0|1,0,0]=4 40565 B12R1.430 CO[C@H]1C[C@H](C1)OCCC(C)C c10ce2745164a794f03ac9c260727418 [0,2,0,1,0,0|1,0,0]=4 40566 B12R1.534 CCC(C)CN1CCCC1(C)C a55ff96690e28a3c7a0d18b1ddc34103 [0,2,0,1,0,0|1,0,0]=4 40567 B12R1.534 CCC(O)CN1CCCC1(C)C 54230de4be78c6585d40e45bad5b3c6f [0,2,0,1,0,0|1,0,0]=4 40568 B12R1.534 CC[C@@H](C)CN1CCCC1(C)C 3e58797894e2d20550962414169e87ec [0,2,0,1,0,0|1,0,0]=4 40569 B12R1.534 CC[C@H](C)CN1CCCC1(C)C ce5d37a6666a174c6ac450b79725c6f1 [0,2,0,1,0,0|1,0,0]=4 40570 B12R1.870 CC(C)CCN1CCC(C1C)O 97f79e8c7131fc9641869df06198f04f [0,2,0,1,0,0|1,0,0]=4 40571 B12R1.870 CC(C)CCN1CC[C@@H]([C@@H]1C)O e878aa4d4f9d31aec259d33c915d63d4 [0,2,0,1,0,0|1,0,0]=4 40572 B12R1.870 CC(C)CCN1CC[C@H]([C@H]1C)O b80690f83300e2e46adbb8568fba5c29 [0,2,0,1,0,0|1,0,0]=4 40573 B12R1.870 CC(O)CCN1CCC(C1C)O e7eb2c93c01926551b621bf5b9c55465 [0,2,0,1,0,0|1,0,0]=4 40574 B12R1.870 CC(O)CCN1CC[C@@H]([C@@H]1C)O 46a17523ef3928497039c845835111ee [0,2,0,1,0,0|1,0,0]=4 40575 B12R1.870 CC(O)CCN1CC[C@H]([C@H]1C)O b2ee14023e4a56cf69ad6b66e4c0755c [0,2,0,1,0,0|1,0,0]=4 40576 B12R1.1361 C=C(C)CCCOCC1(CC1)Br 60075865d36ad0b5b95ee870a4b687d0 [0,2,0,1,0,0|0,0,1]=4 40577 B12R1.1361 C=C(C)CCCOCC1(CC1)C 376c06e88920e3fbe83f7823a407a672 [0,2,0,1,0,0|0,0,1]=4 40578 B12R1.1361 C=C(C)CCCOCC1(CC1)Cl 3dd518d4afaaa8c74a8913576550f953 [0,2,0,1,0,0|0,0,1]=4 40579 B12R1.1361 C=C(C)CCCOCC1(CC1)F 1ec1ad4161263dca0e18c76ffe5329c7 [0,2,0,1,0,0|0,0,1]=4 40580 B12R1.1361 C=C(C)CCOCCC1(CC1)C 8170e82223b38824d80f63683252bd95 [0,2,0,1,0,0|0,0,1]=4 40581 B12R1.1361 CC(=O)CCCOCC1(CC1)Br 3a8b386e8cf3ae1c552785911f5a7fcf [0,2,0,1,0,0|0,0,1]=4 40582 B12R1.1361 CC(=O)CCCOCC1(CC1)C 9bc9b7f16bbcea4ef66f1f358efbcd1e [0,2,0,1,0,0|0,0,1]=4 40583 B12R1.1361 CC(=O)CCCOCC1(CC1)Cl 0e80970e4291e311967c13d6411830b0 [0,2,0,1,0,0|0,0,1]=4 40584 B12R1.1361 CC(=O)CCCOCC1(CC1)F 76387e993308eb77d2baa0ae70948c02 [0,2,0,1,0,0|0,0,1]=4 40585 B12R1.1361 CC(=O)CCOCCC1(CC1)C 89a5358877b28f094c01c1af7b2eb574 [0,2,0,1,0,0|0,0,1]=4 40586 B12R1.1361 CC(C)CCCNCC1(CC1)C 8eae177c80995d3d2e9f379025ee7501 [0,2,0,1,0,0|1,0,0]=4 40587 B12R1.1361 CC(C)CCCNCC1(CC1)F 0e1f686bc63dfe4743bf0d5d3b341a72 [0,2,0,1,0,0|1,0,0]=4 40588 B12R1.1361 CC(C)CCCNCC1(CC1)O 6fd5f07c9a27cc5ceadad7211ec01482 [0,2,0,1,0,0|1,0,0]=4 40589 B12R1.1361 CC(C)CCCOCC1(CC1)Br 6ad26d4bd7d9445fc0c5ff4a24ec7beb [0,2,0,1,0,0|0,0,0]=3 40590 B12R1.1361 CC(C)CCCOCC1(CC1)C 7eac9915c0da96aa954101e48f4b3c8a [0,2,0,1,0,0|0,0,0]=3 40591 B12R1.1361 CC(C)CCCOCC1(CC1)Cl a234908a5c8308e24617a18f2ab05153 [0,2,0,1,0,0|0,0,0]=3 40592 B12R1.1361 CC(C)CCCOCC1(CC1)F 380323484b3190d8ce7f5ba59231c425 [0,2,0,1,0,0|0,0,0]=3 40593 B12R1.1361 CC(C)CCNCCC1(CC1)O 3de2fd6916a9f00ef41330ad276a52d0 [0,2,0,1,0,0|1,0,0]=4 40594 B12R1.1361 CC(C)CCOCCC1(CC1)C f6b986c356214c890b6ef4bcf63ef94f [0,2,0,1,0,0|0,0,0]=3 40595 B12R1.1361 CC(C)OCCOCC1(CC1)Br 0b4405a6e50a273cbad5d5fb95828054 [0,2,0,1,0,0|1,0,0]=4 40596 B12R1.1361 CC(C)OCCOCC1(CC1)C 1530ff56118b5eff1a53d5ba10cc4e64 [0,2,0,1,0,0|1,0,0]=4 40597 B12R1.1361 CC(C)OCCOCC1(CC1)Cl f2f1eb53de0e5ec314efc8248b7334ba [0,2,0,1,0,0|1,0,0]=4 40598 B12R1.1361 CC(C)OCCOCC1(CC1)F 2361f818c9591217d3b9eec68694d532 [0,2,0,1,0,0|1,0,0]=4 40599 B12R1.1361 CC(C)OCOCCC1(CC1)C 76b1982db2a86c561f248961f97e5409 [0,2,0,1,0,0|1,0,0]=4 40600 B12R1.1361 CC(C)SCCOCC1(CC1)Br 34b80f8cdabcda7e69cd39f4922bd2b5 [0,2,0,1,0,0|1,0,0]=4 40601 B12R1.1361 CC(C)SCCOCC1(CC1)C 421d8fd25cdda079fd9b413bdbcce5f5 [0,2,0,1,0,0|1,0,0]=4 40602 B12R1.1361 CC(C)SCCOCC1(CC1)Cl d08860fb3d813a81d7cd007ca3ea5f2d [0,2,0,1,0,0|1,0,0]=4 40603 B12R1.1361 CC(C)SCCOCC1(CC1)F 4dec56d2cb6624c20e4bdb05740fe4aa [0,2,0,1,0,0|1,0,0]=4 40604 B12R1.1361 CC(O)CCCNCC1(CC1)F 98d9a64382bb89adc020e6c99830b026 [0,2,0,1,0,0|1,0,0]=4 40605 B12R1.1361 CC(O)CCCNCC1(CC1)O 083807866d0115e6c6614304bf6f1391 [0,2,0,1,0,0|1,0,0]=4 40606 B12R1.1361 CC(O)CCNCCC1(CC1)O b74f3b8850d6ab5d882d080019140d69 [0,2,0,1,0,0|1,0,0]=4 40607 B12R1.1361 CN(C)CCCOCC1(CC1)Br 756f5fcbe58dae57eb646f968a121e81 [0,2,0,1,0,0|1,0,0]=4 40608 B12R1.1361 CN(C)CCCOCC1(CC1)C 44abf4967c28e50e29ac71abb23b7378 [0,2,0,1,0,0|1,0,0]=4 40609 B12R1.1361 CN(C)CCCOCC1(CC1)Cl 07b5448b32da683f782c83f722a067ef [0,2,0,1,0,0|1,0,0]=4 40610 B12R1.1361 CN(C)CCCOCC1(CC1)F ced6453d367edfc230f9e254e89be286 [0,2,0,1,0,0|1,0,0]=4 40611 B12R1.1361 CN(C)CCOCCC1(CC1)C 09e5ca87ebb289f94136da943d367040 [0,2,0,1,0,0|1,0,0]=4 40612 B12R1.1361 CS(=O)CCOCCC1(CC1)C 3c84e3e1fece9aae69c885b2178c4a68 [0,2,0,1,0,0|1,0,0]=4 40613 B12R1.1680 C=C(CC)COC1CCC1(C)C 6866e2110bce900dd7240f2cb8171405 [0,2,0,1,0,0|0,0,1]=4 40614 B12R1.1680 CC1(CCC1OCC(O)CO)C b9de6b70d286b7f4b5b8d153709b0e87 [0,2,0,1,0,0|1,0,0]=4 40615 B12R1.1680 CC1(CCC1OC[C@@H](O)CO)C 19f0e427cae4b60dfee07a20c61c1390 [0,2,0,1,0,0|1,0,0]=4 40616 B12R1.1680 CC1(CCC1OC[C@H](O)CO)C 9a02534320e702818c945ca3e907278f [0,2,0,1,0,0|1,0,0]=4 40617 B12R1.1680 CCC(=O)COC1CCC1(C)C 99d8e45cb064b7cb75a83aee268393a3 [0,2,0,1,0,0|0,0,1]=4 40618 B12R1.1680 CCC(C)COC1CCC1(C)C 813131732d6e2fd42d199e0ed375d30f [0,2,0,1,0,0|0,0,0]=3 40619 B12R1.1680 CCC(C)COC1CCC1(F)F 1210707811bd95a7efdc6fcee7b8a957 [0,2,0,1,0,0|1,0,0]=4 40620 B12R1.1680 CCC(C)COC1COC1(C)C 8adfa729d2a89977d518856da21c32b9 [0,2,0,1,0,0|1,0,0]=4 40621 B12R1.1680 CC[C@@H](C)COC1CCC1(C)C e950eb11f4c34b4f5993b9878656a21a [0,2,0,1,0,0|0,0,0]=3 40622 B12R1.1680 CC[C@@H](C)COC1CCC1(F)F 536ae5db0cd4c913c77c92144d525082 [0,2,0,1,0,0|1,0,0]=4 40623 B12R1.1680 CC[C@@H](C)COC1COC1(C)C e309af0cfc23063c56f962145630a61f [0,2,0,1,0,0|1,0,0]=4 40624 B12R1.1680 CC[C@H](C)COC1CCC1(C)C 2ec971fcafbbbc3b652d5609d81bd1de [0,2,0,1,0,0|0,0,0]=3 40625 B12R1.1680 CC[C@H](C)COC1CCC1(F)F 54e69edd8a1709accbf44b71d3992595 [0,2,0,1,0,0|1,0,0]=4 40626 B12R1.1680 CC[C@H](C)COC1COC1(C)C 994b1f1a7c374ef0da89fe1fbb54ed2e [0,2,0,1,0,0|1,0,0]=4 40627 B12R1.1680 COC(C)COC1CCC1(C)C bbebf42a21b90c72055168103f7c0016 [0,2,0,1,0,0|1,0,0]=4 40628 B12R1.1680 CO[C@@H](C)COC1CCC1(C)C 4f93715bfd1aee1640d0cee8355b0b80 [0,2,0,1,0,0|1,0,0]=4 40629 B12R1.1680 CO[C@H](C)COC1CCC1(C)C 810403620f6803ca4b7512bb992c8dd7 [0,2,0,1,0,0|1,0,0]=4 40630 B12R1.1848 C=C(CC)COCC1CC1(C)C 04e23a79b1a9f78754cebc6839b2c705 [0,2,0,1,0,0|0,0,1]=4 40631 B12R1.1848 C=C(CC)COC[C@@H]1CC1(C)C 5139373eeb274e0975535b0bd3ab0a91 [0,2,0,1,0,0|0,0,1]=4 40632 B12R1.1848 C=C(CC)COC[C@H]1CC1(C)C f300a96ceef4220a26142fd2c8b74aa2 [0,2,0,1,0,0|0,0,1]=4 40633 B12R1.1848 CC1(CC1COCC(O)CO)C ae071ab43290118012d812930aa1e896 [0,2,0,1,0,0|1,0,0]=4 40634 B12R1.1848 CC1(CC1COC[C@@H](O)CO)C 6a7e9a2ef4436d47873f43d12abc16bf [0,2,0,1,0,0|1,0,0]=4 40635 B12R1.1848 CC1(CC1COC[C@H](O)CO)C 895849e93d0847badcc90c3aca0c49dd [0,2,0,1,0,0|1,0,0]=4 40636 B12R1.1848 CC1(C[C@@H]1COCC(O)CO)C a58b64391a3c7ba56adc143bafd2710b [0,2,0,1,0,0|1,0,0]=4 40637 B12R1.1848 CC1(C[C@@H]1COC[C@@H](O)CO)C d6483a9acee15aca926fcbb7ec7656a7 [0,2,0,1,0,0|1,0,0]=4 40638 B12R1.1848 CC1(C[C@@H]1COC[C@H](O)CO)C b0da11d60202484b0bdd34e27b03e626 [0,2,0,1,0,0|1,0,0]=4 40639 B12R1.1848 CC1(C[C@H]1COCC(O)CO)C e397da16b193ab31994e4dc32817d71e [0,2,0,1,0,0|1,0,0]=4 40640 B12R1.1848 CC1(C[C@H]1COC[C@@H](O)CO)C c213be669f8c8bba69bd4a400e4a0434 [0,2,0,1,0,0|1,0,0]=4 40641 B12R1.1848 CC1(C[C@H]1COC[C@H](O)CO)C 0dec2353d447e11cb61b546519de9a2f [0,2,0,1,0,0|1,0,0]=4 40642 B12R1.1848 CCC(=O)COCC1CC1(C)C 9d354c3676730e89cd667312b930a934 [0,2,0,1,0,0|0,0,1]=4 40643 B12R1.1848 CCC(=O)COC[C@@H]1CC1(C)C b0c1e9d7083949885d28bdb3dc0f90e6 [0,2,0,1,0,0|0,0,1]=4 40644 B12R1.1848 CCC(=O)COC[C@H]1CC1(C)C d5ac5df5d48a895ab52e76df24eb3caa [0,2,0,1,0,0|0,0,1]=4 40645 B12R1.1848 CCC(C)CCNC1CC1(C)C a58e9b8f55460bdfe2d7680f449348fe [0,2,0,1,0,0|1,0,0]=4 40646 B12R1.1848 CCC(C)CCN[C@@H]1CC1(C)C 7cacc3fb2820221ebf0320dd6361183e [0,2,0,1,0,0|1,0,0]=4 40647 B12R1.1848 CCC(C)CCN[C@H]1CC1(C)C a3c5d97a9565c8711fa60a6ae308f965 [0,2,0,1,0,0|1,0,0]=4 40648 B12R1.1848 CCC(C)CCOC1CC1(C)C fc6923f111f1441932952c46a99b2cc0 [0,2,0,1,0,0|0,0,0]=3 40649 B12R1.1848 CCC(C)CCOC1CC1(F)F 2347aad76c1c56a34038d5ed418700ca [0,2,0,1,0,0|1,0,0]=4 40650 B12R1.1848 CCC(C)CNC[C@@H]1CC1(C)C dec6d0cd24b4a58b164e902fa87c2442 [0,2,0,1,0,0|1,0,0]=4 40651 B12R1.1848 CCC(C)CNC[C@H]1CC1(C)C d12b26b94d28ccd3a37461dfacde2f2f [0,2,0,1,0,0|1,0,0]=4 40652 B12R1.1848 CCC(C)COCC1CC1(C)C 25a330f21ddc099a2aa6de924a57af26 [0,2,0,1,0,0|0,0,0]=3 40653 B12R1.1848 CCC(C)COCC1CC1(F)F b183805e6a64d6d44f638bcf2449aa30 [0,2,0,1,0,0|1,0,0]=4 40654 B12R1.1848 CCC(C)COC[C@@H]1CC1(C)C 26c0894af82b7809e5347d7118e11bc6 [0,2,0,1,0,0|0,0,0]=3 40655 B12R1.1848 CCC(C)COC[C@@H]1CC1(F)F aa1935a8467d5f857e29ce926ec033c0 [0,2,0,1,0,0|1,0,0]=4 40656 B12R1.1848 CCC(C)COC[C@H]1CC1(C)C 02eb85238cfb1e7abe78722c61ec8346 [0,2,0,1,0,0|0,0,0]=3 40657 B12R1.1848 CCC(C)COC[C@H]1CC1(F)F acc81e48980192b409dc99b289968b4b [0,2,0,1,0,0|1,0,0]=4 40658 B12R1.1848 CCC(O)CNC[C@@H]1CC1(C)C ea09785f7dad9c4e8865e3fcbf2560ea [0,2,0,1,0,0|1,0,0]=4 40659 B12R1.1848 CCC(O)CNC[C@H]1CC1(C)C 9e792ae9ccd79d18c51966cd77db19fa [0,2,0,1,0,0|1,0,0]=4 40660 B12R1.1848 CCC(S)CCOC1CC1(C)C 49f15b58472efcac36aa20324d744459 [0,2,0,1,0,0|0,0,0]=3 40661 B12R1.1848 CCC(S)CCOC1CC1(F)F ded064bd26a5b75209fd8d2719af569d [0,2,0,1,0,0|1,0,0]=4 40662 B12R1.1848 CC[C@@H](C)CNC[C@@H]1CC1(C)C 1a80cc417fa452047cc8898da667d4d0 [0,2,0,1,0,0|1,0,0]=4 40663 B12R1.1848 CC[C@@H](C)CNC[C@H]1CC1(C)C 454a7153314e2faa9e1a698f7bcb9535 [0,2,0,1,0,0|1,0,0]=4 40664 B12R1.1848 CC[C@@H](C)COCC1CC1(C)C e534b37e2eb83cc0b562a15de36f3ef1 [0,2,0,1,0,0|0,0,0]=3 40665 B12R1.1848 CC[C@@H](C)COCC1CC1(F)F cce719c61e12eeb26ff9f5cf4c3008ea [0,2,0,1,0,0|1,0,0]=4 40666 B12R1.1848 CC[C@@H](C)COC[C@@H]1CC1(C)C 274087349bd8285d8bcda4c80a0fd30f [0,2,0,1,0,0|0,0,0]=3 40667 B12R1.1848 CC[C@@H](C)COC[C@@H]1CC1(F)F b61ced7527f405c63a0bea592171a097 [0,2,0,1,0,0|1,0,0]=4 40668 B12R1.1848 CC[C@@H](C)COC[C@H]1CC1(C)C 09079565fc7d739560abf406e52c5154 [0,2,0,1,0,0|0,0,0]=3 40669 B12R1.1848 CC[C@@H](C)COC[C@H]1CC1(F)F b765d80595ccffe1da4027fd300a0090 [0,2,0,1,0,0|1,0,0]=4 40670 B12R1.1848 CC[C@H](C)CCOC1CC1(C)C 08225d5f412c2970439aeae6aeae1ca5 [0,2,0,1,0,0|0,0,0]=3 40671 B12R1.1848 CC[C@H](C)CCOC1CC1(F)F 1997ed3c69113d5c7ddb2947f740effe [0,2,0,1,0,0|1,0,0]=4 40672 B12R1.1848 CC[C@H](C)CNC[C@@H]1CC1(C)C 57662e1d756f4d41a9a5d0d1bdccaa01 [0,2,0,1,0,0|1,0,0]=4 40673 B12R1.1848 CC[C@H](C)CNC[C@H]1CC1(C)C a563cb3e9dd7fc33bbaf2d9f1dbd081d [0,2,0,1,0,0|1,0,0]=4 40674 B12R1.1848 CC[C@H](C)COCC1CC1(C)C bd3f3a3bf93138286f81c74cf0d5b770 [0,2,0,1,0,0|0,0,0]=3 40675 B12R1.1848 CC[C@H](C)COCC1CC1(F)F 527481ca95c3558d521981a9ac278794 [0,2,0,1,0,0|1,0,0]=4 40676 B12R1.1848 CC[C@H](C)COC[C@@H]1CC1(C)C 5f2feab875f1169bbf8a153b7807a8e8 [0,2,0,1,0,0|0,0,0]=3 40677 B12R1.1848 CC[C@H](C)COC[C@@H]1CC1(F)F eaff6325a21184113ae1f172d5549b48 [0,2,0,1,0,0|1,0,0]=4 40678 B12R1.1848 CC[C@H](C)COC[C@H]1CC1(C)C cbda26547883df5aab70eb5a775185cb [0,2,0,1,0,0|0,0,0]=3 40679 B12R1.1848 CC[C@H](C)COC[C@H]1CC1(F)F f996062fe6ad0b9df0be308625d3f21f [0,2,0,1,0,0|1,0,0]=4 40680 B12R1.1848 COC(C)CCOC1CC1(C)C 6230b8093918fc11ac30008af3d1169e [0,2,0,1,0,0|1,0,0]=4 40681 B12R1.1848 COC(C)COCC1CC1(C)C c45b4f90000168f2a8762d6486367907 [0,2,0,1,0,0|1,0,0]=4 40682 B12R1.1848 COC(C)COC[C@@H]1CC1(C)C 63da95b667b56084d7c63e03f036bff0 [0,2,0,1,0,0|1,0,0]=4 40683 B12R1.1848 COC(C)COC[C@H]1CC1(C)C 17fdcb6aa75057a1534cee6d07e7aebd [0,2,0,1,0,0|1,0,0]=4 40684 B12R1.1848 CO[C@@H](C)COCC1CC1(C)C 7719d0cdd7626ad658bee0f296cc9a6d [0,2,0,1,0,0|1,0,0]=4 40685 B12R1.1848 CO[C@@H](C)COC[C@@H]1CC1(C)C 706b009b27d1c056aa477541b56dbcf7 [0,2,0,1,0,0|1,0,0]=4 40686 B12R1.1848 CO[C@@H](C)COC[C@H]1CC1(C)C 9f44b2835e0d03162f6d39a6443b77fd [0,2,0,1,0,0|1,0,0]=4 40687 B12R1.1848 CO[C@H](C)COCC1CC1(C)C a5f67fb15138b63e74daf6b69afd601d [0,2,0,1,0,0|1,0,0]=4 40688 B12R1.1848 CO[C@H](C)COC[C@@H]1CC1(C)C 1113ef12a32baa30a79ad4a601aa2da1 [0,2,0,1,0,0|1,0,0]=4 40689 B12R1.1848 CO[C@H](C)COC[C@H]1CC1(C)C 2ff0013a242164f0e5aa12ac59f6717e [0,2,0,1,0,0|1,0,0]=4 40690 B12R1.29 CCCCC(C)N1CCC(C1)C 9d909c988a13a18edec78d57d8b3fafa [0,2,0,1,0,0|1,0,0]=4 40691 B12R1.29 CCCCC(C)N1CCC(C1)F 4bcc60b2016e315a96800ffe88cc535a [0,2,0,1,0,0|1,0,0]=4 40692 B12R1.29 CCCCC(C)N1CCC(C1)O b8cc4b948596495d818fc693d7bd088f [0,2,0,1,0,0|1,0,0]=4 40693 B12R1.29 CCCCC(C)N1CC[C@@H](C1)F 229086fe483ae38d328cc24a1e2ba4d8 [0,2,0,1,0,0|1,0,0]=4 40694 B12R1.29 CCCCC(C)N1CC[C@@H](C1)O 3c4f5e4f140398e24c2a3481ca260f55 [0,2,0,1,0,0|1,0,0]=4 40695 B12R1.29 CCCCC(C)N1CC[C@H](C1)F 6065509374a2f8eefd35f77e1ba447b7 [0,2,0,1,0,0|1,0,0]=4 40696 B12R1.29 CCCCC(C)N1CC[C@H](C1)O 17f09d71a8f43acf1a044ed55d26b764 [0,2,0,1,0,0|1,0,0]=4 40697 B12R1.29 CCCCN(C)C1CCC(C1)O 0ed4a16462dae137cd40d9d65cb0ac78 [0,2,0,1,0,0|1,0,0]=4 40698 B12R1.29 CCCCN(C)[C@@H]1CC[C@@H](C1)O 71fc9974197a4a83d7a040cf26596080 [0,2,0,1,0,0|1,0,0]=4 40699 B12R1.125 CC(C)CCN1CCCCC1C 7b15d9e8b3b13ae6522e353d0e285aee [0,2,0,1,0,0|1,0,0]=4 40700 B12R1.125 CC(C)CCN1CCCC[C@@H]1C 4e43868c5501d7cd5a30704a1b398213 [0,2,0,1,0,0|1,0,0]=4 40701 B12R1.125 CC(C)CCN1CCCC[C@H]1C 920ec740721aa577ccf8102c18ba7a98 [0,2,0,1,0,0|1,0,0]=4 40702 B12R1.125 CC(C)CCN1CCOCC1C 84d43c9fcb3fdd142318b353cfddfbf5 [0,2,0,1,0,0|1,0,0]=4 40703 B12R1.125 CC(C)CCN1CCOC[C@@H]1C 74eb50b8579e1185e44fed973a5c79ef [0,2,0,1,0,0|1,0,0]=4 40704 B12R1.125 CC(C)CCN1CCOC[C@H]1C 0db4b0fcaa71b5baea2dea11b14e0cf2 [0,2,0,1,0,0|1,0,0]=4 40705 B12R1.125 CC(C)CNC1CCCCC1C fffdc9108224b35e19a6fce3f0e6f2d4 [0,2,0,1,0,0|1,0,0]=4 40706 B12R1.125 CC(C)CN[C@@H]1CCCC[C@@H]1C e1481aa23c57b18d29a4bf6d01404a81 [0,2,0,1,0,0|1,0,0]=4 40707 B12R1.125 CC(C)CN[C@@H]1CCCC[C@H]1C d3b40ec580250d069ec411ff5a6bee7d [0,2,0,1,0,0|1,0,0]=4 40708 B12R1.125 CC(C)CN[C@@H]1COCC[C@@H]1O b8f1319580ec82d33c79ef649dea08b1 [0,2,0,1,0,0|1,0,0]=4 40709 B12R1.125 CC(C)CN[C@@H]1COCC[C@H]1O 62bce81d3b6df1deea1a1fb1e2d2ae05 [0,2,0,1,0,0|1,0,0]=4 40710 B12R1.125 CC(C)CN[C@H]1CCCC[C@@H]1C f7c2c25b2588739463dbfa20787eaa89 [0,2,0,1,0,0|1,0,0]=4 40711 B12R1.125 CC(C)CN[C@H]1CCCC[C@H]1C 594bf23acf78672f3a48d6cdfce57a0a [0,2,0,1,0,0|1,0,0]=4 40712 B12R1.125 CC(C)CN[C@H]1COCC[C@@H]1O 3fcd8934a06cad56293ce54a581672fc [0,2,0,1,0,0|1,0,0]=4 40713 B12R1.125 CC(C)CN[C@H]1COCC[C@H]1O 70e2e304f829645518e08eee3f613bb2 [0,2,0,1,0,0|1,0,0]=4 40714 B12R1.125 CC(C)COC1CCCCC1C b92226d2b012f230180a1f49901555f8 [0,2,0,1,0,0|1,0,0]=4 40715 B12R1.125 CC(C)CO[C@@H]1CCCC[C@@H]1C 1a3ccab1ca8bb8eaa46436fb2e937418 [0,2,0,1,0,0|1,0,0]=4 40716 B12R1.125 CC(C)CO[C@H]1CCCC[C@@H]1C b6318973f7233ef10aa72f2c1496c513 [0,2,0,1,0,0|1,0,0]=4 40717 B12R1.125 CC(C)CO[C@H]1CCCC[C@H]1C 2cf479744bfb96638eebdacc2036d1b4 [0,2,0,1,0,0|1,0,0]=4 40718 B12R1.125 CC(C)NCC1CCCCC1C e9c5c63ccfed63f8ac2746ee863abac1 [0,2,0,1,0,0|1,0,0]=4 40719 B12R1.125 CC(C)NCC1COCCN1C 492d22a50f3ead7070244c7b4cf0749d [0,2,0,1,0,0|1,0,0]=4 40720 B12R1.125 CC(C)NC[C@@H]1COCCN1C d0cbbc3e8e23c08a5df0698b73829d50 [0,2,0,1,0,0|1,0,0]=4 40721 B12R1.125 CC(C)OCC1COCCN1C e113a060a69aba9e864119e84afd6983 [0,2,0,1,0,0|1,0,0]=4 40722 B12R1.125 CC(C)OC[C@@H]1COCCN1C cc82258c9a463bb30edfaf77f8e57ef2 [0,2,0,1,0,0|1,0,0]=4 40723 B12R1.125 CC(C)OC[C@H]1COCCN1C 19c0914e6c978b0744e889c9efa1ce21 [0,2,0,1,0,0|1,0,0]=4 40724 B12R1.125 CC(F)CO[C@H]1CCCC[C@H]1C 5743284fbdc7bd4526da45a8245d7187 [0,2,0,1,0,0|1,0,0]=4 40725 B12R1.125 CC(O)CCN1CCCCC1C bad134293fe1831ecbd843f9187da699 [0,2,0,1,0,0|1,0,0]=4 40726 B12R1.125 CC(O)CCN1CCCC[C@@H]1C ea2bec3cc0d59644c03de4c497e957be [0,2,0,1,0,0|1,0,0]=4 40727 B12R1.125 CC(O)CCN1CCCC[C@H]1C 2ac4efc97929cf1d83dda89ccc5389c3 [0,2,0,1,0,0|1,0,0]=4 40728 B12R1.125 CC(O)CCN1CCOCC1C e124ad57aa231ff671e0fa99390c20b5 [0,2,0,1,0,0|1,0,0]=4 40729 B12R1.125 CC(O)CCN1CCOC[C@@H]1C 33e91ba2fa7aceca0c7183eb7ae39680 [0,2,0,1,0,0|1,0,0]=4 40730 B12R1.125 CC(O)CCN1CCOC[C@H]1C 610c25e6d7002d4b5fbafc0b0b7deee6 [0,2,0,1,0,0|1,0,0]=4 40731 B12R1.125 CC(O)CNC1CCCCC1C 5e046f2405340c55aec81472f170f06a [0,2,0,1,0,0|1,0,0]=4 40732 B12R1.125 CC(O)CN[C@@H]1CCCC[C@@H]1C 83da5b4dd7c84fe52deb2aff8f0c53ed [0,2,0,1,0,0|1,0,0]=4 40733 B12R1.125 CC(O)CN[C@@H]1CCCC[C@H]1C c823d18dc8661bad69af53f1ccba5285 [0,2,0,1,0,0|1,0,0]=4 40734 B12R1.125 CC(O)CN[C@@H]1COCC[C@@H]1O ee6517a9eab36000c0cbe77a889c4061 [0,2,0,1,0,0|1,0,0]=4 40735 B12R1.125 CC(O)CN[C@@H]1COCC[C@H]1O 3d7f0814dd51709e702c89f7a95c5f9b [0,2,0,1,0,0|1,0,0]=4 40736 B12R1.125 CC(O)CN[C@H]1CCCC[C@@H]1C b3bc463234f9f42ebca891a805635e14 [0,2,0,1,0,0|1,0,0]=4 40737 B12R1.125 CC(O)CN[C@H]1CCCC[C@H]1C fbed6f3c7e2a91fdcfab3b1ef44746c3 [0,2,0,1,0,0|1,0,0]=4 40738 B12R1.125 CC(O)CN[C@H]1COCC[C@@H]1O 2a471799df4ff66b8a1579605ded3c82 [0,2,0,1,0,0|1,0,0]=4 40739 B12R1.125 CC(O)CN[C@H]1COCC[C@H]1O b4dfe765b9f98f869a1d743e6d9ea763 [0,2,0,1,0,0|1,0,0]=4 40740 B12R1.125 CC(S)CO[C@H]1CCCC[C@H]1C 89a1801984f6e7f960c2c0c7ddaaae52 [0,2,0,1,0,0|1,0,0]=4 40741 B12R1.125 CC1CCCCC1NC[C@@H](C)O 5ab6c09945e6014cd8be40680fe4ddee [0,2,0,1,0,0|1,0,0]=4 40742 B12R1.125 CC1CCCCC1NC[C@H](C)O adce6b93f3425f6084d231599f861106 [0,2,0,1,0,0|1,0,0]=4 40743 B12R1.125 C[C@@H](O)CN[C@@H]1CCCC[C@@H]1C 79e54341626e6841f0d7902d5339567a [0,2,0,1,0,0|1,0,0]=4 40744 B12R1.125 C[C@@H](O)CN[C@@H]1COCC[C@@H]1O 3556a9b40ccfccaff63a64c58dbd734e [0,2,0,1,0,0|1,0,0]=4 40745 B12R1.125 C[C@@H](O)CN[C@@H]1COCC[C@H]1O ae6311c1cc950fe2c686d381160a4e44 [0,2,0,1,0,0|1,0,0]=4 40746 B12R1.125 C[C@@H](O)CN[C@H]1CCCC[C@@H]1C 742b1bce7120291189c99f9fb5a31d83 [0,2,0,1,0,0|1,0,0]=4 40747 B12R1.125 C[C@@H](O)CN[C@H]1COCC[C@@H]1O 488b5b054bd2e87a6f00b28951c05c89 [0,2,0,1,0,0|1,0,0]=4 40748 B12R1.125 C[C@@H](O)CN[C@H]1COCC[C@H]1O 777c2fb3de201cd00398334d944bc950 [0,2,0,1,0,0|1,0,0]=4 40749 B12R1.125 C[C@@H]1CCCC[C@@H]1NC[C@@H](C)O cd1b608c1ae6f291e7af04c7510bc625 [0,2,0,1,0,0|1,0,0]=4 40750 B12R1.125 C[C@@H]1CCCC[C@@H]1OC[C@@H](C)F 521512f9e09f30803875e6c06fe1c1a0 [0,2,0,1,0,0|1,0,0]=4 40751 B12R1.125 C[C@@H]1CCCC[C@H]1NC[C@@H](C)O 48274bc144bc97294656e0c5a076043d [0,2,0,1,0,0|1,0,0]=4 40752 B12R1.125 C[C@H](F)CO[C@H]1CCCC[C@H]1C d0e9f63bc4f9653c6dba6a646cf8c141 [0,2,0,1,0,0|1,0,0]=4 40753 B12R1.125 C[C@H](O)CN[C@@H]1CCCC[C@@H]1C 2c3089a0b0936eb5f9cbd8ee93641301 [0,2,0,1,0,0|1,0,0]=4 40754 B12R1.125 C[C@H](O)CN[C@@H]1CCCC[C@H]1C f1334fc77028d787efe26b5225e5f77e [0,2,0,1,0,0|1,0,0]=4 40755 B12R1.125 C[C@H](O)CN[C@@H]1COCC[C@@H]1O 0a8e6fe052f6b4571fdb93eaa2b386aa [0,2,0,1,0,0|1,0,0]=4 40756 B12R1.125 C[C@H](O)CN[C@@H]1COCC[C@H]1O f8d4fb9b6ad9f475ba0e8042f36b07c1 [0,2,0,1,0,0|1,0,0]=4 40757 B12R1.125 C[C@H](O)CN[C@H]1CCCC[C@@H]1C f224bba2439a70c9d7bfe00a4fee490a [0,2,0,1,0,0|1,0,0]=4 40758 B12R1.125 C[C@H](O)CN[C@H]1CCCC[C@H]1C e8706331985a20e25b837f49a4f653ca [0,2,0,1,0,0|1,0,0]=4 40759 B12R1.125 C[C@H](O)CN[C@H]1COCC[C@@H]1O 470001a316d5ccb39e1cb2faf6c51fbb [0,2,0,1,0,0|1,0,0]=4 40760 B12R1.125 C[C@H](O)CN[C@H]1COCC[C@H]1O 94ca70a56d97fa77c8a5af854880ff99 [0,2,0,1,0,0|1,0,0]=4 40761 B12R1.252 C=C(C)CCNC1CCCCO1 a85d1ccfe46c5bd7bf7677f86237a874 [0,2,0,1,0,0|0,0,1]=4 40762 B12R1.252 C=C(C)CCOC1CCCCC1 f56ba0adb90104f8e9998ca09c1fc244 [0,2,0,1,0,0|0,0,1]=4 40763 B12R1.252 C=C(C)CCOC1CCCCO1 37585f85eb5d387fa801706b211949f9 [0,2,0,1,0,0|0,0,1]=4 40764 B12R1.252 C=C(C)CCOC1CCCOC1 3f33b672d5280878c055d75d6f6df1c7 [0,2,0,1,0,0|0,0,1]=4 40765 B12R1.252 C=C(C)CCOC1CCCSC1 f4a70e0d717777352dd6dd85af63f67c [0,2,0,1,0,0|0,0,1]=4 40766 B12R1.252 C=C(C)CCOC1CCOCC1 d157177009221696c669950e0629e1b3 [0,2,0,1,0,0|0,0,1]=4 40767 B12R1.252 C=C(C)CCOC1CCSCC1 7dcece1b722009cc42f4c648f742cc2b [0,2,0,1,0,0|0,0,1]=4 40768 B12R1.252 C=C(C)CCO[C@@H]1CCCOC1 c006205e2c7054a5567dd3e484bfda11 [0,2,0,1,0,0|0,0,1]=4 40769 B12R1.252 C=C(C)CCO[C@H]1CCCOC1 7d290a4c1e67be2ef356aa70088cfc2f [0,2,0,1,0,0|0,0,1]=4 40770 B12R1.252 C=C(C)CNCC1CCCCO1 671d5b53a2cd8e91a465668ed26d2296 [0,2,0,1,0,0|0,0,1]=4 40771 B12R1.252 C=C(C)COCC1CCCCO1 f34823562dca7eb9b03bf76705cc7a61 [0,2,0,1,0,0|0,0,1]=4 40772 B12R1.252 C=C(C)COC[C@@H]1CCCCO1 c45020de780547344bb0a6be870a3e65 [0,2,0,1,0,0|0,0,1]=4 40773 B12R1.252 C=C(C)COC[C@H]1CCCCO1 c2d089973738f0ad82a30d1e044351a5 [0,2,0,1,0,0|0,0,1]=4 40774 B12R1.252 CC(=O)CCOC1CCCCC1 e4251c9461462d5687b8cd3122a2cce2 [0,2,0,1,0,0|0,0,1]=4 40775 B12R1.252 CC(=O)CCOC1CCCCO1 108759f6b4bc97fa5af44deac9cfc0a5 [0,2,0,1,0,0|0,0,1]=4 40776 B12R1.252 CC(=O)CCOC1CCCOC1 481154ba71f12ccb8d6d5cbb734ecb20 [0,2,0,1,0,0|0,0,1]=4 40777 B12R1.252 CC(=O)CCOC1CCCSC1 b9e953e7bdf3e4927740cb75eebc6e68 [0,2,0,1,0,0|0,0,1]=4 40778 B12R1.252 CC(=O)CCOC1CCOCC1 4a98e1ef6871431dd658800e0c279268 [0,2,0,1,0,0|0,0,1]=4 40779 B12R1.252 CC(=O)CCOC1CCSCC1 91e64d2b72fc5a5957392e690aa14867 [0,2,0,1,0,0|0,0,1]=4 40780 B12R1.252 CC(=O)CCO[C@@H]1CCCOC1 e1c3e6247df07a6df26b92f464824b11 [0,2,0,1,0,0|0,0,1]=4 40781 B12R1.252 CC(=O)CCO[C@H]1CCCOC1 bc802c6fd71d818f66e5c3ccc6331a37 [0,2,0,1,0,0|0,0,1]=4 40782 B12R1.252 CC(=O)CNCC1CCCCO1 51de72d48eab8eef34cb4ffbe7252314 [0,2,0,1,0,0|0,0,1]=4 40783 B12R1.252 CC(=O)COCC1CCCCO1 e39e36731578819aee762595ee0b506f [0,2,0,1,0,0|0,0,1]=4 40784 B12R1.252 CC(=O)NCCC1CCCCO1 5263ca438c1483f9fa7c254a8f0057e4 [0,2,0,1,0,0|0,0,1]=4 40785 B12R1.252 CC(C)CCCN1CCCOC1 1abfb3a49826a2c4ccaa5d070b227c08 [0,2,0,1,0,0|1,0,0]=4 40786 B12R1.252 CC(C)CCCN1CCCSC1 931c44fed56968d3884cfe882f90de6f [0,2,0,1,0,0|1,0,0]=4 40787 B12R1.252 CC(C)CCCN1CCOCC1 2dd5b1c403b7390faf66d37780547a0d [0,2,0,1,0,0|1,0,0]=4 40788 B12R1.252 CC(C)CCCN1CCSCC1 bfa78d7687c5ce6f2a6826b3700bab94 [0,2,0,1,0,0|1,0,0]=4 40789 B12R1.252 CC(C)CCNC1CCCCC1 6a0a77755c6f3027b0ae7d20fcec2433 [0,2,0,1,0,0|1,0,0]=4 40790 B12R1.252 CC(C)CCNC1CCCCO1 d9d0bb00febdfcfd67b133686ebee790 [0,2,0,1,0,0|0,0,0]=3 40791 B12R1.252 CC(C)CCNC1CCCOC1 7edbd919e2af59dc31b9d4424f676609 [0,2,0,1,0,0|1,0,0]=4 40792 B12R1.252 CC(C)CCNC1CCOCC1 d64a9794500fd6a324d8784e07021e70 [0,2,0,1,0,0|1,0,0]=4 40793 B12R1.252 CC(C)CCNC1CCSCC1 3ce88bd70f508125aeb059c51c10c1d9 [0,2,0,1,0,0|1,0,0]=4 40794 B12R1.252 CC(C)CCN[C@@H]1CCCOC1 11afe199c0a49cb34b9965ac198863e0 [0,2,0,1,0,0|1,0,0]=4 40795 B12R1.252 CC(C)CCN[C@H]1CCCOC1 c964d7dd4f7daafb48841073a2b9b6b4 [0,2,0,1,0,0|1,0,0]=4 40796 B12R1.252 CC(C)CCOC1C=CCCC1 df21520293dc71c93f06634c3d7af6a7 [0,2,0,1,0,0|0,0,1]=4 40797 B12R1.252 CC(C)CCOC1CC=CCC1 3f3155afd0d100bdc08e82e0015f446a [0,2,0,1,0,0|0,0,1]=4 40798 B12R1.252 CC(C)CCOC1CCCCC1 7ace09065cf5c249b87b500a45dc4808 [0,2,0,1,0,0|0,0,0]=3 40799 B12R1.252 CC(C)CCOC1CCCCO1 b9341562c24dcf38b397bf3ce9263246 [0,2,0,1,0,0|0,0,0]=3 40800 B12R1.252 CC(C)CCOC1CCCOC1 bb9950fdee020af23a2eb06862fb47fe [0,2,0,1,0,0|0,0,0]=3 40801 B12R1.252 CC(C)CCOC1CCCSC1 1e86025f7ea5d9193f48ae160a366db4 [0,2,0,1,0,0|0,0,0]=3 40802 B12R1.252 CC(C)CCOC1CCOCC1 ff3a7c609e4520607e568fe261665c62 [0,2,0,1,0,0|0,0,0]=3 40803 B12R1.252 CC(C)CCOC1CCSCC1 8e04a55f73cfb33bd9ec9cf9ba3b3eaf [0,2,0,1,0,0|0,0,0]=3 40804 B12R1.252 CC(C)CCO[C@@H]1CCCOC1 2bd32438de5a2b88fd9b02c3b5bcd2a3 [0,2,0,1,0,0|0,0,0]=3 40805 B12R1.252 CC(C)CCO[C@H]1CCCOC1 75ffd4cf369989646db60cfacd8c16d1 [0,2,0,1,0,0|0,0,0]=3 40806 B12R1.252 CC(C)CNCC1CCCCC1 0e450c31f59baeb8f040b06ae78415c2 [0,2,0,1,0,0|1,0,0]=4 40807 B12R1.252 CC(C)CNCC1CCCCO1 d24974d2a5a61f9a7cc02d3246b03c76 [0,2,0,1,0,0|0,0,0]=3 40808 B12R1.252 CC(C)CNCC1COCCO1 812ce2efa4f303a9b2e85c8a3c560c0f [0,2,0,1,0,0|1,0,0]=4 40809 B12R1.252 CC(C)CNC[C@H]1COCCO1 c9d8b1234eafa376f073121b753560c4 [0,2,0,1,0,0|1,0,0]=4 40810 B12R1.252 CC(C)COCC1CCCCC1 ce3165575d9db58d48e5dfe46e04961b [0,2,0,1,0,0|1,0,0]=4 40811 B12R1.252 CC(C)COCC1CCCCO1 1798ce25d83de0b72d2b1b5ce0a31530 [0,2,0,1,0,0|0,0,0]=3 40812 B12R1.252 CC(C)COCC1COCCO1 debbc81f762d0c2c7939aa4163fd22c0 [0,2,0,1,0,0|1,0,0]=4 40813 B12R1.252 CC(C)COC[C@@H]1CCCCO1 3f99ed458f3eb6c83ce67daed9882990 [0,2,0,1,0,0|0,0,0]=3 40814 B12R1.252 CC(C)COC[C@@H]1COCCO1 8e71bab240fd3a93e54f87794c64719e [0,2,0,1,0,0|1,0,0]=4 40815 B12R1.252 CC(C)COC[C@H]1CCCCO1 bec62f904c509d9d85a1139342408c96 [0,2,0,1,0,0|0,0,0]=3 40816 B12R1.252 CC(C)COC[C@H]1COCCO1 0b5de49f782c1dabb660084fe3e76d50 [0,2,0,1,0,0|1,0,0]=4 40817 B12R1.252 CC(C)NCCC1CCCCC1 3fce6fce0b70d444482c14b84c9b0f3e [0,2,0,1,0,0|1,0,0]=4 40818 B12R1.252 CC(C)NCCC1CCCCO1 6921254ad0ae84847067a5b56daffc8f [0,2,0,1,0,0|0,0,0]=3 40819 B12R1.252 CC(C)NCCC1COCCO1 f60ce6bd9ff5fc0a98fa39a30582ef27 [0,2,0,1,0,0|1,0,0]=4 40820 B12R1.252 CC(C)NCCN1CCCCC1 0c19f5e25fb8de9f6364e411bff9b374 [0,2,0,1,0,0|1,0,0]=4 40821 B12R1.252 CC(C)OCCC1CCCCC1 ab4c0c8c2e264e10579912c65ff1fddf [0,2,0,1,0,0|1,0,0]=4 40822 B12R1.252 CC(C)OCCC1CCCCO1 6a6ba34df90e9ddc4facb8ddb90eb158 [0,2,0,1,0,0|0,0,0]=3 40823 B12R1.252 CC(C)OCCC1COCCO1 edddb8c793fa25c43ca15510356a934a [0,2,0,1,0,0|1,0,0]=4 40824 B12R1.252 CC(C)OCCN1CCCCC1 3fcf7b047affd28da00978b7cd72a969 [0,2,0,1,0,0|1,0,0]=4 40825 B12R1.252 CC(C)OCC[C@@H]1COCCO1 9eb620880a751911d5ebc62184823310 [0,2,0,1,0,0|1,0,0]=4 40826 B12R1.252 CC(C)OCC[C@H]1COCCO1 ae7ecfb97e2f68f1ef53bb1f348b102e [0,2,0,1,0,0|1,0,0]=4 40827 B12R1.252 CC(C)OCOC1CCCCC1 d920419b91a5583eb6f23fefeeba4877 [0,2,0,1,0,0|1,0,0]=4 40828 B12R1.252 CC(C)OCOC1CCCCO1 b997d80693d47847b60c4a7dedb751ad [0,2,0,1,0,0|1,0,0]=4 40829 B12R1.252 CC(C)OCOC1CCCOC1 65f98817a4083c7c9f9360e309fea616 [0,2,0,1,0,0|1,0,0]=4 40830 B12R1.252 CC(C)OCOC1CCCSC1 4d4c782223ad8fb922af6d607dd7aa86 [0,2,0,1,0,0|1,0,0]=4 40831 B12R1.252 CC(C)OCOC1CCOCC1 e8fb6a1dc9ae076e1d1c9157f83ec38e [0,2,0,1,0,0|1,0,0]=4 40832 B12R1.252 CC(C)OCOC1CCSCC1 d2a0b915312d187e619c50df2522fd68 [0,2,0,1,0,0|1,0,0]=4 40833 B12R1.252 CC(C)OCO[C@@H]1CCCOC1 3cb38b2e9e9b0057c42328faf88e6ec8 [0,2,0,1,0,0|1,0,0]=4 40834 B12R1.252 CC(C)OCO[C@H]1CCCOC1 250623c94361a314197cfda0f6324515 [0,2,0,1,0,0|1,0,0]=4 40835 B12R1.252 CC(F)COCC1CCCCC1 9b2d22dc5b2425c1755a1d1e9e88e5ee [0,2,0,1,0,0|1,0,0]=4 40836 B12R1.252 CC(F)COCC1CCCCO1 920f511a6054fa7ff8aeee5ec3f71e3a [0,2,0,1,0,0|0,0,0]=3 40837 B12R1.252 CC(F)COCC1COCCO1 5abee08186f5a4d7aeb5576fe632ea53 [0,2,0,1,0,0|1,0,0]=4 40838 B12R1.252 CC(O)CCCN1CCCOC1 e201eef98c1bc23bc1d2741f4fdea09e [0,2,0,1,0,0|1,0,0]=4 40839 B12R1.252 CC(O)CCCN1CCCSC1 8abcf0ce1f54e6246a0d1f44a870b374 [0,2,0,1,0,0|1,0,0]=4 40840 B12R1.252 CC(O)CCCN1CCOCC1 989a0161ba96f5e97645afe6b7be64ac [0,2,0,1,0,0|1,0,0]=4 40841 B12R1.252 CC(O)CCCN1CCSCC1 071fe2497ab9422b31d38065f1ce1224 [0,2,0,1,0,0|1,0,0]=4 40842 B12R1.252 CC(O)CCNC1CCCCC1 520eb6162ef0b970738c856512a30acd [0,2,0,1,0,0|1,0,0]=4 40843 B12R1.252 CC(O)CCNC1CCCCO1 f8be353c66768e69c596d032353fa8ba [0,2,0,1,0,0|0,0,0]=3 40844 B12R1.252 CC(O)CCNC1CCCOC1 2fd907fb150c9288761d4cd3efb916ef [0,2,0,1,0,0|1,0,0]=4 40845 B12R1.252 CC(O)CCNC1CCOCC1 67b3a69185ad5df658142ca8e0e4dc37 [0,2,0,1,0,0|1,0,0]=4 40846 B12R1.252 CC(O)CCNC1CCSCC1 cb5e7be816c8f72af034bee255bfa9cd [0,2,0,1,0,0|1,0,0]=4 40847 B12R1.252 CC(O)CCN[C@@H]1CCCOC1 4e27aef51c0764914e094cbaad523ca9 [0,2,0,1,0,0|1,0,0]=4 40848 B12R1.252 CC(O)CCN[C@H]1CCCOC1 8c453737d95e4e1e3b91771db3ed40a9 [0,2,0,1,0,0|1,0,0]=4 40849 B12R1.252 CC(O)CNCC1CCCCC1 9242cd9cf543cf00889fce3d740d211e [0,2,0,1,0,0|1,0,0]=4 40850 B12R1.252 CC(O)CNCC1CCCCO1 e3891ea160a0cd019917abdc57cbfced [0,2,0,1,0,0|0,0,0]=3 40851 B12R1.252 CC(O)CNCC1COCCO1 4ce1e11e2ad1978c61bd2a6b62459433 [0,2,0,1,0,0|1,0,0]=4 40852 B12R1.252 CC(O)CNC[C@H]1COCCO1 0a3e6e8b6a6b8174f79eed5a26b9de9e [0,2,0,1,0,0|1,0,0]=4 40853 B12R1.252 CC(S)COCC1CCCCC1 705094199dc2f27897c517549dee9c0e [0,2,0,1,0,0|1,0,0]=4 40854 B12R1.252 CC(S)COCC1CCCCO1 1c82ae60327314ab52cc7891cac9d27c [0,2,0,1,0,0|0,0,0]=3 40855 B12R1.252 CC(S)COCC1COCCO1 4778fda51f1a4e3edecc8a8bf64a13e4 [0,2,0,1,0,0|1,0,0]=4 40856 B12R1.252 CN(C)CCNC1CCCCO1 31cf88189378b4cda1f9bb7fdd0fb467 [0,2,0,1,0,0|1,0,0]=4 40857 B12R1.252 CN(C)CCOC1CCCCC1 a023ee9f3afe6ed6a31aec4e1ea9aeb4 [0,2,0,1,0,0|1,0,0]=4 40858 B12R1.252 CN(C)CCOC1CCCCO1 7e930abc8d1c076d5e8dc2519cb9e7ee [0,2,0,1,0,0|1,0,0]=4 40859 B12R1.252 CN(C)CCOC1CCCOC1 880218ae1803a940ef027aa5d44a79dd [0,2,0,1,0,0|1,0,0]=4 40860 B12R1.252 CN(C)CCOC1CCCSC1 42d1f397c56c580fab014088e367bb6c [0,2,0,1,0,0|1,0,0]=4 40861 B12R1.252 CN(C)CCOC1CCOCC1 1f27337453c3013e8b0785c6285efab7 [0,2,0,1,0,0|1,0,0]=4 40862 B12R1.252 CN(C)CCOC1CCSCC1 fc96d906e1f532bb4071ad59690bb298 [0,2,0,1,0,0|1,0,0]=4 40863 B12R1.252 CN(C)CCO[C@@H]1CCCOC1 52ed8355834aa038a0924138b3979531 [0,2,0,1,0,0|1,0,0]=4 40864 B12R1.252 CN(C)CCO[C@H]1CCCOC1 0af303ecabdcf806d9b3dbd89e366b78 [0,2,0,1,0,0|1,0,0]=4 40865 B12R1.252 CN(C)CNCC1CCCCO1 d97241aab18a93bff50b33af9b5a9d9a [0,2,0,1,0,0|1,0,0]=4 40866 B12R1.252 CN(C)COCC1CCCCO1 9b99340a494716d913d0cb639a84e622 [0,2,0,1,0,0|1,0,0]=4 40867 B12R1.252 CN(C)COC[C@@H]1CCCCO1 4d67d5e23b0b4f0f87a985d93d5a4fa8 [0,2,0,1,0,0|1,0,0]=4 40868 B12R1.252 CN(C)COC[C@H]1CCCCO1 661d1a021e8274929b68f0f87cfb820d [0,2,0,1,0,0|1,0,0]=4 40869 B12R1.252 CS(=O)CCNC1CCCCO1 a42d0d2df8e5e9b725156cceb05b6331 [0,2,0,1,0,0|1,0,0]=4 40870 B12R1.252 CS(=O)CCOC1CCCCC1 554ef7ac6072f0df6dc6125fa74c6605 [0,2,0,1,0,0|1,0,0]=4 40871 B12R1.252 CS(=O)CCOC1CCCCO1 048ebe1484cee8580ad82c3a664d437d [0,2,0,1,0,0|1,0,0]=4 40872 B12R1.252 CS(=O)CCOC1CCCOC1 cc38d78fe9ef9ed600ac8614fec00966 [0,2,0,1,0,0|1,0,0]=4 40873 B12R1.252 CS(=O)CCOC1CCCSC1 f451af4fe48d847ac43dd1a63fde6ef7 [0,2,0,1,0,0|1,0,0]=4 40874 B12R1.252 CS(=O)CCOC1CCOCC1 2b7644eeae569048193058fe4fc22ea3 [0,2,0,1,0,0|1,0,0]=4 40875 B12R1.252 CS(=O)CCOC1CCSCC1 6fe80646f155dc6e20c316851afc7e0d [0,2,0,1,0,0|1,0,0]=4 40876 B12R1.252 CS(=O)CCO[C@@H]1CCCOC1 0c86510b72d06fa56d74131d52ece155 [0,2,0,1,0,0|1,0,0]=4 40877 B12R1.252 CS(=O)CCO[C@H]1CCCOC1 24a6b3e621f2efc7a90229ee265b9277 [0,2,0,1,0,0|1,0,0]=4 40878 B12R1.252 C[C@@H](F)COCC1CCCCC1 d0e9b759a11b26e3ea5331a76a085140 [0,2,0,1,0,0|1,0,0]=4 40879 B12R1.252 C[C@@H](F)COCC1CCCCO1 8a718329ffce931ce587e63cb4a21b45 [0,2,0,1,0,0|0,0,0]=3 40880 B12R1.252 C[C@@H](F)COCC1COCCO1 0e6d91f8c2d47c239674273c9a9108d0 [0,2,0,1,0,0|1,0,0]=4 40881 B12R1.252 C[C@@H](O)CCNC1CCCCC1 2bd7253c4667a7d99b6f51e894873ca0 [0,2,0,1,0,0|1,0,0]=4 40882 B12R1.252 C[C@@H](O)CCNC1CCCCO1 2df27c9151932e31eb111b7bd24e998c [0,2,0,1,0,0|0,0,0]=3 40883 B12R1.252 C[C@@H](O)CCNC1CCCOC1 29bfc1ddb25b641ad97ee2b31234b89e [0,2,0,1,0,0|1,0,0]=4 40884 B12R1.252 C[C@@H](O)CCNC1CCOCC1 5b26b7162a5f0bd5a15937ef53b2f293 [0,2,0,1,0,0|1,0,0]=4 40885 B12R1.252 C[C@@H](O)CCNC1CCSCC1 81fb43630c0ddd7c41831a5a31881f46 [0,2,0,1,0,0|1,0,0]=4 40886 B12R1.252 C[C@@H](O)CNCC1CCCCC1 3a9bbfcdeca94a96b7075e7ac0da4604 [0,2,0,1,0,0|1,0,0]=4 40887 B12R1.252 C[C@@H](O)CNCC1CCCCO1 f24377f33dec6916870ddb8cc3301145 [0,2,0,1,0,0|0,0,0]=3 40888 B12R1.252 C[C@@H](O)CNCC1COCCO1 8ffac134afbb4b7d29d099de490df35e [0,2,0,1,0,0|1,0,0]=4 40889 B12R1.252 C[C@@H](O)CNC[C@H]1COCCO1 4f9714d79eda476ddac731a24fcd048b [0,2,0,1,0,0|1,0,0]=4 40890 B12R1.252 C[C@H](F)COCC1CCCCC1 d3e169974d85bde04045a02cd246e96d [0,2,0,1,0,0|1,0,0]=4 40891 B12R1.252 C[C@H](F)COCC1CCCCO1 bbdbb46c8563b3e44b31c16a3cd56557 [0,2,0,1,0,0|0,0,0]=3 40892 B12R1.252 C[C@H](F)COCC1COCCO1 9cbb698c0df31bf85cd01b70b594d5f8 [0,2,0,1,0,0|1,0,0]=4 40893 B12R1.252 C[C@H](O)CCNC1CCCCC1 cf9077ff7721c9be8e6fcd5f484c545f [0,2,0,1,0,0|1,0,0]=4 40894 B12R1.252 C[C@H](O)CCNC1CCCCO1 bebfc903e8b787223b3966680be4bef0 [0,2,0,1,0,0|0,0,0]=3 40895 B12R1.252 C[C@H](O)CCNC1CCCOC1 e49b38cbaf9ecbd0e49f71de9df3af98 [0,2,0,1,0,0|1,0,0]=4 40896 B12R1.252 C[C@H](O)CCNC1CCOCC1 5479faa60a050fe4f703f2f348030d57 [0,2,0,1,0,0|1,0,0]=4 40897 B12R1.252 C[C@H](O)CCNC1CCSCC1 fb77d938cfd1694a485664e5c15fe497 [0,2,0,1,0,0|1,0,0]=4 40898 B12R1.252 C[C@H](O)CNCC1CCCCC1 850814ff1efd41e3b6bc80675fe903cd [0,2,0,1,0,0|1,0,0]=4 40899 B12R1.252 C[C@H](O)CNCC1CCCCO1 6ac75fec62cebc3f5a8eb3248598fa7f [0,2,0,1,0,0|0,0,0]=3 40900 B12R1.252 C[C@H](O)CNCC1COCCO1 b8498d20a82c2130be5dcdda67c6c53e [0,2,0,1,0,0|1,0,0]=4 40901 B12R1.252 C[C@H](O)CNC[C@H]1COCCO1 a3eaf5b96eae829d0f1f465636c79ae5 [0,2,0,1,0,0|1,0,0]=4 40902 B12R1.252 FC(F)CCNC1CCCCO1 f71fa8440a984f06c0b0849753cb2ebe [0,2,0,1,0,0|1,0,0]=4 40903 B12R1.252 FC(F)CCOC1CCCCC1 55300ecb7bd71a76d416ea2177655ba9 [0,2,0,1,0,0|1,0,0]=4 40904 B12R1.252 FC(F)CCOC1CCCCO1 1929b31de41c48696967ebde36b33c44 [0,2,0,1,0,0|1,0,0]=4 40905 B12R1.252 FC(F)CCOC1CCCOC1 fb53256956fda1dfbccdba2aa305e9a5 [0,2,0,1,0,0|1,0,0]=4 40906 B12R1.252 FC(F)CCOC1CCOCC1 8d73f05fec0541a3ae0df75661b6db10 [0,2,0,1,0,0|1,0,0]=4 40907 B12R1.252 FC(F)CCOC1CCSCC1 42439285d44ac74f4a65719451b5e40a [0,2,0,1,0,0|1,0,0]=4 40908 B12R1.252 FC(F)CNCC1CCCCO1 6e2693cdebb0941208fd050845db4e76 [0,2,0,1,0,0|1,0,0]=4 40909 B12R1.252 FC(F)COCC1CCCCO1 b252d197949bd6cb1a529fe790f9f276 [0,2,0,1,0,0|1,0,0]=4 40910 B12R1.252 FC(F)COC[C@@H]1CCCCO1 bfb9ac774936bb0dfd7eebc0be6c1254 [0,2,0,1,0,0|1,0,0]=4 40911 B12R1.252 FC(F)COC[C@H]1CCCCO1 2b4f595eae00960ecae1a78e8ea6eb8a [0,2,0,1,0,0|1,0,0]=4 40912 B12R1.895 CC(C)CCN1C(CCC1C)C 01200a8b092e097cce458d800608c26e [0,2,0,1,0,0|1,0,0]=4 40913 B12R1.895 CC(C)CCN1[C@@H](CC[C@@H]1C)C 57656b698d718efc9268f9a23d9b8c2a [0,2,0,1,0,0|1,0,0]=4 40914 B12R1.895 CC(C)CCN1[C@@H](CC[C@H]1C)C ffc4a1fe833b638361f2fcb4e7a2a5dc [0,2,0,1,0,0|1,0,0]=4 40915 B12R1.895 CC(C)CCN1[C@H](CC[C@@H]1C)C e27bebd89af67725793eec6227c2c051 [0,2,0,1,0,0|1,0,0]=4 40916 B12R1.895 CC(O)CCN1C(CCC1C)C 56c8c0214d018f4ebd4914d818349acd [0,2,0,1,0,0|1,0,0]=4 40917 B12R1.895 CC(O)CCN1[C@@H](CC[C@@H]1C)C 505179e173eee8c3c3a54f5a66c91ee7 [0,2,0,1,0,0|1,0,0]=4 40918 B12R1.895 CC(O)CCN1[C@@H](CC[C@H]1C)C 33cddd53046aa91976c50d25c66d59c4 [0,2,0,1,0,0|1,0,0]=4 40919 B12R1.895 CC(O)CCN1[C@H](CC[C@@H]1C)C 9360a0f7cf693c3eb2c4d17448569ed7 [0,2,0,1,0,0|1,0,0]=4 40920 B12R1.1357 C=C(C)CCOC(C)C1CCC1 8482d65292655ad21d107e92f499593f [0,2,0,1,0,0|0,0,1]=4 40921 B12R1.1357 C=C(C)CCO[C@@H](C)C1CCC1 8da308e4a24d0c2b1819a814f9f97cb4 [0,2,0,1,0,0|0,0,1]=4 40922 B12R1.1357 CC(=O)CCOC(C)C1CCC1 45cf3c41792f7f7450a647854c549166 [0,2,0,1,0,0|0,0,1]=4 40923 B12R1.1357 CC(=O)CCO[C@@H](C)C1CCC1 45723793adb1ee99b7c039bc31265781 [0,2,0,1,0,0|0,0,1]=4 40924 B12R1.1357 CC(C)CCCN(C)C1CCC1 df10249095087d6216003aaab7bc0a44 [0,2,0,1,0,0|1,0,0]=4 40925 B12R1.1357 CC(C)CCOC(C)C1CCC1 1fe640bd410d84b77af2ce4158ccb01c [0,2,0,1,0,0|0,0,0]=3 40926 B12R1.1357 CC(C)CCOC(C)C1COC1 486b5d2b1fd17bb8e17d8d7b851f0fce [0,2,0,1,0,0|1,0,0]=4 40927 B12R1.1357 CC(C)CCO[C@@H](C)C1CCC1 824e531feb980a9a462a92f79558a504 [0,2,0,1,0,0|0,0,0]=3 40928 B12R1.1357 CC(C)CCO[C@@H](C)C1COC1 9e06ef18fea6309446ce821cc9d33c31 [0,2,0,1,0,0|1,0,0]=4 40929 B12R1.1357 CC(C)CCO[C@H](C)C1COC1 f0546c968a42e398b22e958de5fe53b1 [0,2,0,1,0,0|1,0,0]=4 40930 B12R1.1357 CC(C)OCOC(C)C1CCC1 5c19fe14e46443b094ccc32699ee2261 [0,2,0,1,0,0|1,0,0]=4 40931 B12R1.1357 CC(C)OCO[C@@H](C)C1CCC1 5455a14591501a99ff44c1e947cb4fa2 [0,2,0,1,0,0|1,0,0]=4 40932 B12R1.1357 CC(O)CCCN(C)C1CCC1 6ae2f7ec5a54060eaa7f73e7ea0ccae4 [0,2,0,1,0,0|1,0,0]=4 40933 B12R1.1357 CC(OCCN(C)C)C1CCC1 e3ac0ea0bca8cb2f6f15f45c15174db4 [0,2,0,1,0,0|1,0,0]=4 40934 B12R1.1357 CC(OCCS(=O)C)C1CCC1 f0474bbff60197658b3a0f88658d4c0f [0,2,0,1,0,0|1,0,0]=4 40935 B12R1.1357 C[C@H](OCCN(C)C)C1CCC1 90fcdda9d8105deefe52f6bc37201b28 [0,2,0,1,0,0|1,0,0]=4 40936 B12R1.1357 C[C@H](OCCS(=O)C)C1CCC1 98700804a04b5d0595fb9158bd9ecc3e [0,2,0,1,0,0|1,0,0]=4 40937 B12R1.1359 C=C(C)CCOC(C)CC1CC1 99e2468021a220830a2a158638c95c72 [0,2,0,1,0,0|0,0,1]=4 40938 B12R1.1359 CC(=O)CCOC(C)CC1CC1 a5b11c18611a8e83c8a5ef1a67be34eb [0,2,0,1,0,0|0,0,1]=4 40939 B12R1.1359 CC(C)CCCN(C)CC1CC1 a306d0350d8ec38f54dc5c51b5beb274 [0,2,0,1,0,0|1,0,0]=4 40940 B12R1.1359 CC(C)CCOC(C)CC1CC1 fdf29cef693db453d642d00be42085cd [0,2,0,1,0,0|0,0,0]=3 40941 B12R1.1359 CC(C)OCOC(C)CC1CC1 8014eda01f0a940d52788863fbdb5a37 [0,2,0,1,0,0|1,0,0]=4 40942 B12R1.1359 CC(CC1CC1)OCCN(C)C c0195a7f3522fd1fc4bb53aadbd0744b [0,2,0,1,0,0|1,0,0]=4 40943 B12R1.1359 CC(CC1CC1)OCCS(=O)C 05cbbf07e8476d7805625f7953337358 [0,2,0,1,0,0|1,0,0]=4 40944 B12R1.1359 CC(O)CCCN(C)CC1CC1 70e8881b29c8026d610b0ea72a98ddfb [0,2,0,1,0,0|1,0,0]=4 40945 B12R1.1809 CC(C)CCNC1(CCCC1)C 3db4e3ceeffbb9b69932e29d53c5b103 [0,2,0,1,0,0|1,0,0]=4 40946 B12R1.1809 CC(O)CCNC1(CCCC1)C 5efebde2b29889a69999c4bed43a01a1 [0,2,0,1,0,0|1,0,0]=4 40947 B12R1.2043 CCCCC(C)NC1CC1(C)C e3820bf96ef15cec6704274e96b470be [0,2,0,1,0,0|1,0,0]=4 40948 B12R1.2043 CCCCC(C)N[C@@H]1CC1(C)C 5685a5425957acf57499909f57144301 [0,2,0,1,0,0|1,0,0]=4 40949 B12R1.2043 CCCCC(C)N[C@H]1CC1(C)C fdfe701521b1b9f8c98bff78ff30fb03 [0,2,0,1,0,0|1,0,0]=4 40950 B12R1.2043 CCCCC(C)OC1CC1(C)C 980a2ea8481cda7be479a00460d96521 [0,2,0,1,0,0|0,0,0]=3 40951 B12R1.2043 CCCCC(C)OC1CC1(F)F 9c767a88d4825ef6b06d3f86f0a83658 [0,2,0,1,0,0|1,0,0]=4 40952 B12R1.2043 CCCC[C@@H](C)NC1CC1(C)C f572a21b6f01b98cad13043022a6fb75 [0,2,0,1,0,0|1,0,0]=4 40953 B12R1.2043 CCCC[C@@H](C)OC1CC1(C)C c839e654dee59c48645bb054a6a61988 [0,2,0,1,0,0|0,0,0]=3 40954 B12R1.2043 CCCC[C@@H](C)OC1CC1(F)F b12750dbfb531909b200cd196b117e5a [0,2,0,1,0,0|1,0,0]=4 40955 B12R1.2043 CCCC[C@H](C)OC1CC1(C)C f14d99098d92a1b048fe67d4a92aad56 [0,2,0,1,0,0|0,0,0]=3 40956 B12R1.2043 CCCC[C@H](C)OC1CC1(F)F 4dd3db5558b6f421f18a8ed2a3f642a6 [0,2,0,1,0,0|1,0,0]=4 40957 B12R1.2043 CCOCC(C)OC1CC1(C)C 81dcbbd5e5d4f6344add576c2f91b427 [0,2,0,1,0,0|1,0,0]=4 40958 B12R1.2043 COCCC(C)OC1CC1(C)C ebd91e826595b75cd31767633092aa87 [0,2,0,1,0,0|1,0,0]=4 40959 B12R1.75 C=C(C)CN1CCOCC1CC 970f6b78c5d5cb34d53e9285960b8481 [0,2,0,1,0,0|0,0,1]=4 40960 B12R1.75 C=C(C)CN1CCOC[C@@H]1CC 4ac385fc72b4a96d12755fdd15a2e3c9 [0,2,0,1,0,0|0,0,1]=4 40961 B12R1.75 C=C(C)CN1CCOC[C@H]1CC 26fdbecec73cb5d31c7f2d10d718d21a [0,2,0,1,0,0|0,0,1]=4 40962 B12R1.75 CC(C)CC1COCCN1CF 6feb1c602ae45c3ef50cf8d14603c610 [0,2,0,1,0,0|1,0,0]=4 40963 B12R1.75 CC(C)CC1COCCN1CO b487601be29116b02fdcf04dc1e48ddb [0,2,0,1,0,0|1,0,0]=4 40964 B12R1.75 CC(C)CN1CCOCC1CO d2947746583f8ce6dc323f95f9ad7019 [0,2,0,1,0,0|1,0,0]=4 40965 B12R1.75 CC(C)CN1CCOC[C@@H]1CO 197ff3e79dbe182b230de10909493b96 [0,2,0,1,0,0|1,0,0]=4 40966 B12R1.75 CC(C)CN1CCOC[C@H]1CO b3f79bba6e3344d2c4e3a6cedfa83425 [0,2,0,1,0,0|1,0,0]=4 40967 B12R1.75 CC(C)C[C@@H]1COCCN1CF 3488e63d6f911bfb525722a84e510b96 [0,2,0,1,0,0|1,0,0]=4 40968 B12R1.75 CC(C)C[C@@H]1COCCN1CO 00073a47051a9d3a113b503c926090a6 [0,2,0,1,0,0|1,0,0]=4 40969 B12R1.75 CC(C)C[C@H]1COCCN1CF 25bc49d16bfa9e2a779ab6b5e8cd11e2 [0,2,0,1,0,0|1,0,0]=4 40970 B12R1.75 CC(C)C[C@H]1COCCN1CO 8979b5b379fbf07f04f38133e059837e [0,2,0,1,0,0|1,0,0]=4 40971 B12R1.75 CC(C)NC1CCOCC1CO d6e4e610ab306f6469de501d226d6096 [0,2,0,1,0,0|1,0,0]=4 40972 B12R1.75 CC(C)N[C@@H]1CCOC[C@@H]1CO 09939bda10b52dd846d8b98d2814bc05 [0,2,0,1,0,0|1,0,0]=4 40973 B12R1.75 CC(O)CN1CCOCC1CO bce308e4c82b515bd025e926e91c0993 [0,2,0,1,0,0|1,0,0]=4 40974 B12R1.75 CC(O)CN1CCOC[C@@H]1CO 987f14a0a203219f8270d8d9f5fc027b [0,2,0,1,0,0|1,0,0]=4 40975 B12R1.75 CC(O)CN1CCOC[C@H]1CO ea11a72d694269a8e71c0ace8cac0833 [0,2,0,1,0,0|1,0,0]=4 40976 B12R1.75 CCC1CCCCC1OC(C)C 08d3f30dc6b4e35c223e3a1fb1010b2a [0,2,0,1,0,0|1,0,0]=4 40977 B12R1.75 CCC1CCCCN1CC(C)C de343d6547aa76d66397cfb2b085b5f4 [0,2,0,1,0,0|1,0,0]=4 40978 B12R1.75 CCC1CCCCN1CC(C)O 910693e156ae677676e1232e551852c8 [0,2,0,1,0,0|1,0,0]=4 40979 B12R1.75 CCC1CCCCN1C[C@@H](C)O 0ed3d06f1d9af2b98bb3e364c1e3afb6 [0,2,0,1,0,0|1,0,0]=4 40980 B12R1.75 CCC1CCCCN1C[C@H](C)O feed4c0a18502f3cffa305cb83c043a0 [0,2,0,1,0,0|1,0,0]=4 40981 B12R1.75 CCC1COCCC1NC(=O)C 1392d686aaee871e6c17042b6bdb32eb [0,2,0,1,0,0|0,0,1]=4 40982 B12R1.75 CCC1COCCC1NC(C)C 8e59d9cff3dbaecb572655d3005980ea [0,2,0,1,0,0|0,0,0]=3 40983 B12R1.75 CCC1COCCN1CC(C)C 740b67a2bf4e0b5d53f42c367af383ba [0,2,0,1,0,0|0,0,0]=3 40984 B12R1.75 CCC1COCCN1CC(C)O f4f7a303e68507c79ff4269a39efee05 [0,2,0,1,0,0|0,0,0]=3 40985 B12R1.75 CCC1COCCN1CC(F)F 41ba0065d90f732b322fa6e3a34eb407 [0,2,0,1,0,0|1,0,0]=4 40986 B12R1.75 CCC1COCCN1CN(C)C 5e7502745755b80fd56ec4ea0c8a1837 [0,2,0,1,0,0|1,0,0]=4 40987 B12R1.75 CCC1COCCN1C[C@@H](C)O 3e35efedf9d5638046d60370701dc7c4 [0,2,0,1,0,0|0,0,0]=3 40988 B12R1.75 CCC1COCCN1C[C@H](C)O a8fd1b8823f0f45463a0318d082c6132 [0,2,0,1,0,0|0,0,0]=3 40989 B12R1.75 CCN1CCOCC1CC(C)C 8d39046873d89b148e52f07e186e08e8 [0,2,0,1,0,0|0,0,0]=3 40990 B12R1.75 CCN1CCOCC1CN(C)C 8480bb5f0724fac8981a7e8b7c4b188e [0,2,0,1,0,0|1,0,0]=4 40991 B12R1.75 CCN1CCOC[C@@H]1CC(C)C 0bf71588b7833d199f1db6bc29b93b6c [0,2,0,1,0,0|0,0,0]=3 40992 B12R1.75 CCN1CCOC[C@H]1CC(C)C a7a26dc758ad04779cd65b9006fe917b [0,2,0,1,0,0|0,0,0]=3 40993 B12R1.75 CC[C@@H]1CCCCN1CC(C)C 15fcde66d26311eaa7d6c3209691ecc8 [0,2,0,1,0,0|1,0,0]=4 40994 B12R1.75 CC[C@@H]1CCCCN1CC(C)O b5835df13ad9d9e85850e7dcb1162db7 [0,2,0,1,0,0|1,0,0]=4 40995 B12R1.75 CC[C@@H]1CCCCN1C[C@@H](C)O 17d440d3e2fbe78b2e88074f2b2c2b92 [0,2,0,1,0,0|1,0,0]=4 40996 B12R1.75 CC[C@@H]1CCCCN1C[C@H](C)O 01ba6616d957c772e281bb1abe7dd00c [0,2,0,1,0,0|1,0,0]=4 40997 B12R1.75 CC[C@@H]1COCCN1CC(C)C f6c1b04041279bee74fcd3386eda9c85 [0,2,0,1,0,0|0,0,0]=3 40998 B12R1.75 CC[C@@H]1COCCN1CC(C)O 90f6308a2956babab33cb7cc5986e042 [0,2,0,1,0,0|0,0,0]=3 40999 B12R1.75 CC[C@@H]1COCCN1CC(F)F 66a9aeede21f05181712b4180ff46b95 [0,2,0,1,0,0|1,0,0]=4 41000 B12R1.75 CC[C@@H]1COCCN1CN(C)C ed7feb98c74f68c91f08b8cf5186fc7c [0,2,0,1,0,0|1,0,0]=4 41001 B12R1.75 CC[C@@H]1COCCN1C[C@@H](C)O 4b0e09a9758637245721c9de0cfe57b4 [0,2,0,1,0,0|0,0,0]=3 41002 B12R1.75 CC[C@@H]1COCCN1C[C@H](C)O d33287f4c9048a00733ab12f431f989c [0,2,0,1,0,0|0,0,0]=3 41003 B12R1.75 CC[C@H]1CCCCN1CC(C)C 745082d64914a30a0d819e1c526efadd [0,2,0,1,0,0|1,0,0]=4 41004 B12R1.75 CC[C@H]1CCCCN1CC(C)O ecb9b00f55561fb9493f32ebd5dd0984 [0,2,0,1,0,0|1,0,0]=4 41005 B12R1.75 CC[C@H]1CCCCN1C[C@@H](C)O f7f6d10834db6ef1c04716b77ec96649 [0,2,0,1,0,0|1,0,0]=4 41006 B12R1.75 CC[C@H]1CCCCN1C[C@H](C)O c4294037b1e877830bd27718de73f630 [0,2,0,1,0,0|1,0,0]=4 41007 B12R1.75 CC[C@H]1COCCN1CC(C)C 288ecf3583c1410db8b552ddab7f87e1 [0,2,0,1,0,0|0,0,0]=3 41008 B12R1.75 CC[C@H]1COCCN1CC(C)O 937d3aead879dfdc25f5972d89cb4d8e [0,2,0,1,0,0|0,0,0]=3 41009 B12R1.75 CC[C@H]1COCCN1CC(F)F 1f79ae9585ee23544bd7cd5e16ccea5b [0,2,0,1,0,0|1,0,0]=4 41010 B12R1.75 CC[C@H]1COCCN1CN(C)C 82e13c510a9ba96e20394fad4fe6483e [0,2,0,1,0,0|1,0,0]=4 41011 B12R1.75 CC[C@H]1COCCN1C[C@@H](C)O 6c21e455da7321ed2ec575333365b669 [0,2,0,1,0,0|0,0,0]=3 41012 B12R1.75 CC[C@H]1COCCN1C[C@H](C)O c9568eb0e0b0aa1d9540bab1b93ca464 [0,2,0,1,0,0|0,0,0]=3 41013 B12R1.75 CO[C@@H]1COCC[C@@H]1NC(C)C e4d17decca47e994b8014d0f6ab5ed46 [0,2,0,1,0,0|1,0,0]=4 41014 B12R1.75 CO[C@@H]1COCC[C@H]1NC(C)C 37b1444c2ece1f0e0360fdddc5029922 [0,2,0,1,0,0|1,0,0]=4 41015 B12R1.75 CO[C@H]1COCC[C@@H]1NC(C)C bb7e4bc2dc460fcd824503ff5b778def [0,2,0,1,0,0|1,0,0]=4 41016 B12R1.75 CO[C@H]1COCC[C@H]1NC(C)C 963c2453a50993649fe07ad8e785e009 [0,2,0,1,0,0|1,0,0]=4 41017 B12R1.75 C[C@@H](O)CN1CCOCC1CO 0ca2c2a7c3083410de8cfdeb1c4a917e [0,2,0,1,0,0|1,0,0]=4 41018 B12R1.75 C[C@@H](O)CN1CCOC[C@@H]1CO b22812467d499b35b93191bc53cedcaa [0,2,0,1,0,0|1,0,0]=4 41019 B12R1.75 C[C@@H](O)CN1CCOC[C@H]1CO b3a8231e3aacf77e1dc583b6ac78a33a [0,2,0,1,0,0|1,0,0]=4 41020 B12R1.75 C[C@H](O)CN1CCOCC1CO 6745ee768f954f401ac450fafebb3e06 [0,2,0,1,0,0|1,0,0]=4 41021 B12R1.75 C[C@H](O)CN1CCOC[C@@H]1CO 32cfe5cddfee49972111ff7bbe71ac24 [0,2,0,1,0,0|1,0,0]=4 41022 B12R1.75 C[C@H](O)CN1CCOC[C@H]1CO bbaee3594d2caad09b52dd53094e878b [0,2,0,1,0,0|1,0,0]=4 41023 B12R1.81 CC(C)CCN1CCCC1CO 197c112b4ac9bc847df4fd429d371715 [0,2,0,1,0,0|1,0,0]=4 41024 B12R1.81 CC(C)CCN1CCC[C@@H]1CF f20993a2a60f8c215c79b34970cbcb1b [0,2,0,1,0,0|1,0,0]=4 41025 B12R1.81 CC(C)CCN1CCC[C@@H]1CO 5348030236e0ff68d978480aa5794e8e [0,2,0,1,0,0|1,0,0]=4 41026 B12R1.81 CC(C)CCN1CCC[C@H]1CF 131f0ffd2e497afba95ac2c6c7939602 [0,2,0,1,0,0|1,0,0]=4 41027 B12R1.81 CC(C)CCN1CCC[C@H]1CO 032f642c1e41d55c416329dd1bb7b455 [0,2,0,1,0,0|1,0,0]=4 41028 B12R1.81 CC(C)CNC1COCC1CO 9ff7641b840ba03b5c09d0364b064981 [0,2,0,1,0,0|1,0,0]=4 41029 B12R1.81 CC(C)CN[C@@H]1COC[C@H]1CO efdcfa2964b82f4ee8124b501482d442 [0,2,0,1,0,0|1,0,0]=4 41030 B12R1.81 CC(O)CCN1CCCC1CO ebcc22566b53172afd97e9d339db4083 [0,2,0,1,0,0|1,0,0]=4 41031 B12R1.81 CC(O)CCN1CCC[C@@H]1CF f0ce864e86ae92f6ce614bac9786322f [0,2,0,1,0,0|1,0,0]=4 41032 B12R1.81 CC(O)CCN1CCC[C@@H]1CO a2cf11d838791394b7ca07cc8e63cacf [0,2,0,1,0,0|1,0,0]=4 41033 B12R1.81 CC(O)CCN1CCC[C@H]1CF 222be4c026355c62abdff98def7421b3 [0,2,0,1,0,0|1,0,0]=4 41034 B12R1.81 CC(O)CCN1CCC[C@H]1CO 5f63e525b0d0c6a0f2a63550a4a7cd29 [0,2,0,1,0,0|1,0,0]=4 41035 B12R1.81 CC(O)CNC1COCC1CO 3f075a4fd0168e57502adde2731880e7 [0,2,0,1,0,0|1,0,0]=4 41036 B12R1.81 CC(O)CN[C@@H]1COC[C@H]1CO e28c29e24feacd7df660e9b26caf69fd [0,2,0,1,0,0|1,0,0]=4 41037 B12R1.81 CCC1CCCN1CCC(C)C 12229672dca73a371e4a6690916cc72b [0,2,0,1,0,0|1,0,0]=4 41038 B12R1.81 CCC1CCCN1CCC(C)O a8c255eecfe4370d181a792790ba205d [0,2,0,1,0,0|1,0,0]=4 41039 B12R1.81 CC[C@@H]1CCCN1CCC(C)C a8547bc18ce097af7a13618315036dbe [0,2,0,1,0,0|1,0,0]=4 41040 B12R1.81 CC[C@@H]1CCCN1CCC(C)O a223818565ddefdff549c50747b2e245 [0,2,0,1,0,0|1,0,0]=4 41041 B12R1.81 CC[C@@H]1CCC[C@H]1NCC(C)C 855931a1fa970c8ae3a628471fdfba93 [0,2,0,1,0,0|1,0,0]=4 41042 B12R1.81 CC[C@@H]1CCC[C@H]1NCC(C)O a9f27986c3ce03f302040bc747f5f417 [0,2,0,1,0,0|1,0,0]=4 41043 B12R1.81 CC[C@@H]1CCC[C@H]1NC[C@@H](C)O f775851a9d09523b78db5d46bc04315e [0,2,0,1,0,0|1,0,0]=4 41044 B12R1.81 CC[C@@H]1CCC[C@H]1NC[C@H](C)O 87f4176bfbd37b6a21ca87f79f1b9c38 [0,2,0,1,0,0|1,0,0]=4 41045 B12R1.81 COC1CCCN1CCC(C)C f1662fce64418a18ff34f6c40d20d55e [0,2,0,1,0,0|1,0,0]=4 41046 B12R1.81 COC1CCCN1CCC(C)O 57d2f42e5e13f98808362cb2828dc6c9 [0,2,0,1,0,0|1,0,0]=4 41047 B12R1.81 COC1COCC1NCC(C)C 41198e457331b5d3d68aa83b6a47f1b9 [0,2,0,1,0,0|1,0,0]=4 41048 B12R1.81 COC1COCC1NCC(C)O f4ef0b5ed9024f53058ed708cd59c097 [0,2,0,1,0,0|1,0,0]=4 41049 B12R1.81 COC1COCC1NC[C@@H](C)O 237ccb8b34d4f16d381aa91145ccc25a [0,2,0,1,0,0|1,0,0]=4 41050 B12R1.81 COC1COCC1NC[C@H](C)O a64511fc337174d224a06d0f1430a56e [0,2,0,1,0,0|1,0,0]=4 41051 B12R1.81 CO[C@@H]1COC[C@@H]1NCC(C)C e0169df623b6a9f0f9a86ab77d994cfd [0,2,0,1,0,0|1,0,0]=4 41052 B12R1.81 CO[C@@H]1COC[C@@H]1NCC(C)O 33a1fe283b58c647078ad81108c24f62 [0,2,0,1,0,0|1,0,0]=4 41053 B12R1.81 CO[C@@H]1COC[C@@H]1NC[C@@H](C)O d870cd3fed8bd761fdabff775c53c11a [0,2,0,1,0,0|1,0,0]=4 41054 B12R1.81 CO[C@@H]1COC[C@@H]1NC[C@H](C)O dd46859ac410b5ac87236efffd8928f8 [0,2,0,1,0,0|1,0,0]=4 41055 B12R1.81 CO[C@@H]1COC[C@H]1NCC(C)C 6ce410acd29a1671dfd8c09e6d24e48f [0,2,0,1,0,0|1,0,0]=4 41056 B12R1.81 CO[C@@H]1COC[C@H]1NCC(C)O a5db007e5062967b1a8a36d0238c466a [0,2,0,1,0,0|1,0,0]=4 41057 B12R1.81 CO[C@@H]1COC[C@H]1NC[C@@H](C)O 8a2d6360d6e8a02479de6a4a3e27c255 [0,2,0,1,0,0|1,0,0]=4 41058 B12R1.81 CO[C@@H]1COC[C@H]1NC[C@H](C)O c56ae4327b15febd0e57e62f44f16449 [0,2,0,1,0,0|1,0,0]=4 41059 B12R1.81 CO[C@H]1COC[C@@H]1NCC(C)C b90d141eac78b138cb5f40e7f56e8713 [0,2,0,1,0,0|1,0,0]=4 41060 B12R1.81 CO[C@H]1COC[C@@H]1NCC(C)O 4890f11efc841a63d3eb9a2327538a0e [0,2,0,1,0,0|1,0,0]=4 41061 B12R1.81 CO[C@H]1COC[C@@H]1NC[C@@H](C)O d46e74438692c748be2e7dd5e3cbd31c [0,2,0,1,0,0|1,0,0]=4 41062 B12R1.81 CO[C@H]1COC[C@@H]1NC[C@H](C)O f59a8e3a12bd416debdf89557bbc63e5 [0,2,0,1,0,0|1,0,0]=4 41063 B12R1.81 CO[C@H]1COC[C@H]1NCC(C)C 86f55d05e259d058ed2c90be2a5f5a30 [0,2,0,1,0,0|1,0,0]=4 41064 B12R1.81 CO[C@H]1COC[C@H]1NCC(C)O a9f2d37b5fde5fcb35fea23275a23342 [0,2,0,1,0,0|1,0,0]=4 41065 B12R1.81 CO[C@H]1COC[C@H]1NC[C@@H](C)O 47e046a9c159f9af3183042d61efa5ba [0,2,0,1,0,0|1,0,0]=4 41066 B12R1.81 CO[C@H]1COC[C@H]1NC[C@H](C)O 43d6817b17179df472b7640f91cf698f [0,2,0,1,0,0|1,0,0]=4 41067 B12R1.81 C[C@@H](O)CNC1COCC1CO 099aa5a540c3b93ad9e1465937017e7b [0,2,0,1,0,0|1,0,0]=4 41068 B12R1.81 C[C@@H](O)CN[C@@H]1COC[C@H]1CO 27232635af426a469d8b4e1c6e1eae0b [0,2,0,1,0,0|1,0,0]=4 41069 B12R1.81 C[C@H](O)CNC1COCC1CO 0e4d0208ea58d99d5aa021c0a09be9ee [0,2,0,1,0,0|1,0,0]=4 41070 B12R1.81 C[C@H](O)CN[C@@H]1COC[C@H]1CO 1ded0eea66925d05e72ec75d8527a918 [0,2,0,1,0,0|1,0,0]=4 41071 B12R1.162 CC(C)CCN1CCC1CCO 4e27dabfbbc1f7af58c614a81efe5e72 [0,2,0,1,0,0|1,0,0]=4 41072 B12R1.162 CC(O)CCN1CCC1CCO 2c527cc9974dedd94adf4ffc2ef816c9 [0,2,0,1,0,0|1,0,0]=4 41073 B12R1.162 COCC1CCN1CCC(C)C dd365e499d9b4ac63845603e3d1794cc [0,2,0,1,0,0|1,0,0]=4 41074 B12R1.162 COCC1CCN1CCC(C)O a2c9ba93eaf1a3e9455acc88ac97be59 [0,2,0,1,0,0|1,0,0]=4 41075 B12R1.162 COC[C@@H]1CCN1CCC(C)C ddcbfc90fb3216ca8a16658df56a3679 [0,2,0,1,0,0|1,0,0]=4 41076 B12R1.162 COC[C@@H]1CCN1CCC(C)O a76bf21101c37cfd755d699520bc29c7 [0,2,0,1,0,0|1,0,0]=4 41077 B12R1.162 COC[C@H]1CCN1CCC(C)C 9a95221c932fffd4cc9d342b97cc52d8 [0,2,0,1,0,0|1,0,0]=4 41078 B12R1.162 COC[C@H]1CCN1CCC(C)O e207429a0706e2daba3563b1db9d00a8 [0,2,0,1,0,0|1,0,0]=4 41079 B12R1.283 CC(C)C1COCCN1CCF 3ac6f34ff886900f6c5c4de10c4c0ece [0,2,0,1,0,0|1,0,0]=4 41080 B12R1.283 CC(C)C1COCCN1CCO 2d569b85172dc8173944a4b66db7c274 [0,2,0,1,0,0|1,0,0]=4 41081 B12R1.283 CC(C)C1COCCN1CCS f7e6472791a0866e1e425a46cc563684 [0,2,0,1,0,0|1,0,0]=4 41082 B12R1.283 CC(C)[C@@H]1COCCN1CCF 3747ff0ec285ec6b99f91ee7bddabdd8 [0,2,0,1,0,0|1,0,0]=4 41083 B12R1.283 CC(C)[C@@H]1COCCN1CCO 1b5d5dd4a9695641ab32325fa632897f [0,2,0,1,0,0|1,0,0]=4 41084 B12R1.283 CC(C)[C@@H]1COCCN1CCS 12bc8a18faa77dcb1940dec70a6a8f19 [0,2,0,1,0,0|1,0,0]=4 41085 B12R1.283 CC(C)[C@H]1COCCN1CCF 40be1022753551d84a2f3eee36a00ba8 [0,2,0,1,0,0|1,0,0]=4 41086 B12R1.283 CC(C)[C@H]1COCCN1CCO 66f25390ea9a4277ca6e3f0a2d617002 [0,2,0,1,0,0|1,0,0]=4 41087 B12R1.283 CC(C)[C@H]1COCCN1CCS 016382339d11e6d1b424a3a12e2ad198 [0,2,0,1,0,0|1,0,0]=4 41088 B12R1.283 CCCC1COCCN1C(=O)C 963d4cd05fefb1d786e819d6e767933c [0,2,0,1,0,0|0,0,1]=4 41089 B12R1.283 CCCC1COCCN1C(C)C 939a2d08fb00f40df2fb6634947d77af [0,2,0,1,0,0|0,0,0]=3 41090 B12R1.283 CCCN1CCOCC1C(C)C f16d7c32693ddcb44e285265f762ef25 [0,2,0,1,0,0|0,0,0]=3 41091 B12R1.283 CCCN1CCOCC1C(F)F 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CC(O)CCCN1CCC1CO 18ba034f30a1f4c2192402abde4ab81f [0,2,0,1,0,0|1,0,0]=4 41364 B12R1.444 CC(O)CCCN1CC[C@@H]1CO b202f3857428d1298c5cfee0369e0662 [0,2,0,1,0,0|1,0,0]=4 41365 B12R1.444 CC(O)CCCN1CC[C@H]1CO 06775149a712ce196d7138bc21143ad0 [0,2,0,1,0,0|1,0,0]=4 41366 B12R1.444 CCC1CCN1CCCC(=O)C 775bb23651d11e332042ed32bdc450ef [0,2,0,1,0,0|1,0,0]=4 41367 B12R1.444 CCC1CCN1CCCC(C)C 7fe19c1bf3419c5b68ea21ef362b77b8 [0,2,0,1,0,0|1,0,0]=4 41368 B12R1.444 CCC1CCN1CCCC(C)O 4882379f24626875c1adf004c7633287 [0,2,0,1,0,0|1,0,0]=4 41369 B12R1.444 CCC1CCN1CCCN(C)C 22b558299c2b2900138a10fe0fd84bfb [0,2,0,1,0,0|1,0,0]=4 41370 B12R1.444 CCC1CCN1CCOC(C)C 905cbf238075d24259175032f9c9007c [0,2,0,1,0,0|1,0,0]=4 41371 B12R1.444 CCC1CCN1CCSC(C)C 7f74fc1e45e15bcfb37820bb65efe29b [0,2,0,1,0,0|1,0,0]=4 41372 B12R1.444 COC1CCC1NCCC(C)C a11d067e09745422ae1cffd0a20d5b48 [0,2,0,1,0,0|1,0,0]=4 41373 B12R1.444 COC1CCC1NCCC(C)O 7b46e303efd45eb1f0e6fef1d75a6579 [0,2,0,1,0,0|1,0,0]=4 41374 B12R1.444 CO[C@@H]1CC[C@@H]1NCCC(C)C ea8bd0e7617e0595b034f4c7ba665b68 [0,2,0,1,0,0|1,0,0]=4 41375 B12R1.444 CO[C@@H]1CC[C@@H]1NCCC(C)O 68c68b8949c692ba42bd0c30297d4c5e [0,2,0,1,0,0|1,0,0]=4 41376 B12R1.444 CO[C@@H]1CC[C@H]1NCCC(C)C eee8659a45b86307c95a8eed00edccc6 [0,2,0,1,0,0|1,0,0]=4 41377 B12R1.444 CO[C@@H]1CC[C@H]1NCCC(C)O a16f2861ec896c488d9402cdeb0aa8dd [0,2,0,1,0,0|1,0,0]=4 41378 B12R1.444 CO[C@H]1CC[C@@H]1NCCC(C)C b5478de49e000c90e0b325967df3c4f3 [0,2,0,1,0,0|1,0,0]=4 41379 B12R1.444 CO[C@H]1CC[C@@H]1NCCC(C)O bb605ed9191da0ac2fef7fffc345b351 [0,2,0,1,0,0|1,0,0]=4 41380 B12R1.444 CO[C@H]1CC[C@H]1NCCC(C)C db121c5b79d2792d49df0797e738e44f [0,2,0,1,0,0|1,0,0]=4 41381 B12R1.444 CO[C@H]1CC[C@H]1NCCC(C)O 027a9e352ae0cdc424ab47c9ff89a8dc [0,2,0,1,0,0|1,0,0]=4 41382 B12R1.522 CCCCNC1COC1C(C)C 92544df0d5baf901d230e5705ff4dffa [0,2,0,1,0,0|1,0,0]=4 41383 B12R1.522 CCCCN[C@@H]1CO[C@@H]1C(C)C 4d083502d508f02c060ac66a02fc17aa [0,2,0,1,0,0|1,0,0]=4 41384 B12R1.522 CCCCOC1CCC1C(=O)O 31fb62568f257eeb7251cdcb2723daa8 [0,2,0,1,0,0|0,0,1]=4 41385 B12R1.522 CCCCO[C@H]1CC[C@@H]1C(=O)O be56f78fbaef715fca1975af1b02085e [0,2,0,1,0,0|0,0,1]=4 41386 B12R1.842 C#CCCCOC1CCC1(C)C db4323ec6f699a05f35f5d70d918fec4 [0,2,0,1,0,0|0,0,1]=4 41387 B12R1.842 C=CCCCOC1CCC1(C)C 89bce656c00871e418b882efe019196d [0,2,0,1,0,0|0,0,1]=4 41388 B12R1.842 CC/C=C/COC1CCC1(C)C 182bcb5066bc2cd4b7c513056e35e4a0 [0,2,0,1,0,0|0,0,1]=4 41389 B12R1.842 CC1(CCC1OCCCC#N)C 851d26014898369db347f8c41bf03567 [0,2,0,1,0,0|0,0,1]=4 41390 B12R1.842 CC1(CCC1OCCCC=O)C 4476864fd2fc9663e94a8e946693a586 [0,2,0,1,0,0|0,0,1]=4 41391 B12R1.842 CC1(CCC1OCCCCF)C 5f6b44de4516cb4a3141f2984b85a15a [0,2,0,1,0,0|0,0,0]=3 41392 B12R1.842 CC1(OCC1COCCCF)C ac8c8cf01eafa177bc4d480a6492c371 [0,2,0,1,0,0|1,0,0]=4 41393 B12R1.842 CC1(OCC1COCCCS)C ef41489a38030fe5135c470d546d643e [0,2,0,1,0,0|1,0,0]=4 41394 B12R1.842 CC1(OCC1OCCCCF)C 6fc0e7f2bddc1448d1c79a4942b03066 [0,2,0,1,0,0|1,0,0]=4 41395 B12R1.842 CCCCCNC1CCC1(F)F 29abc293a0fe6d60b6448f3345fb914f [0,2,0,1,0,0|1,0,0]=4 41396 B12R1.842 CCCCCNC1COC1(C)C ab64c0791975c766ae1e2d5ee714984c [0,2,0,1,0,0|1,0,0]=4 41397 B12R1.842 CCCCCOC1CCC1(C)C 8f598a294179eb1815b71af810931d2c [0,2,0,1,0,0|0,0,0]=3 41398 B12R1.842 CCCCCOC1CCC1(F)F 196d66137e5aefa46c0c230d314d678b [0,2,0,1,0,0|0,0,0]=3 41399 B12R1.842 CCCCCOC1COC1(C)C 2a0921b7d530a944d15416b883a0c98c [0,2,0,1,0,0|0,0,0]=3 41400 B12R1.842 CCCCNCC1CCC1(F)F ac387ac623bc0661470a406191e72a68 [0,2,0,1,0,0|1,0,0]=4 41401 B12R1.842 CCCCNCC1OCC1(C)C 438beb6f27bcc6db6d0e7e557c946f14 [0,2,0,1,0,0|1,0,0]=4 41402 B12R1.842 CCCCOCC1CCC1(F)F c11413b9c68d1d2c5501021cb4de1cb0 [0,2,0,1,0,0|0,0,0]=3 41403 B12R1.842 CCCCOCC1CCS1(=O)=O 014f70e6a1dedf622431bc2e4fca7c12 [0,2,0,1,0,0|1,0,0]=4 41404 B12R1.842 CCCCOCC1COC1(C)C 9bf1605f38f76caf5a40c3e803fc2e19 [0,2,0,1,0,0|0,0,0]=3 41405 B12R1.842 CCOCCOC1CCC1(C)C d643cc7331c5be036baa3747ad6d26e0 [0,2,0,1,0,0|0,0,0]=3 41406 B12R1.842 CCOCCOC1CCC1(F)F 1bf3d60658503e8fd9560f5b12208bb4 [0,2,0,1,0,0|1,0,0]=4 41407 B12R1.842 CCOCCOC1COC1(C)C 9057a26e00fca5819886f907890fadfd [0,2,0,1,0,0|1,0,0]=4 41408 B12R1.842 CCOCOCC1CCC1(F)F e777bf0fd9496ce517aaa2346b2e4ce6 [0,2,0,1,0,0|1,0,0]=4 41409 B12R1.842 CCOCOCC1COC1(C)C d8ad21ddd1c3819e8994437a62274fd8 [0,2,0,1,0,0|1,0,0]=4 41410 B12R1.842 CCSCCOC1CCC1(C)C fb97c98dfd162d78b3e1859391314d54 [0,2,0,1,0,0|0,0,0]=3 41411 B12R1.842 CCSCCOC1CCC1(F)F ee9c6e4b38bc75e5fba8df23e9a8c69d [0,2,0,1,0,0|1,0,0]=4 41412 B12R1.842 CCSCCOC1COC1(C)C 89d7e66914224777bf374ea377fa120c [0,2,0,1,0,0|1,0,0]=4 41413 B12R1.842 COCCCOC1CCC1(C)C e79c16034f019009914386b429914c5f [0,2,0,1,0,0|0,0,0]=3 41414 B12R1.842 COCCCOC1CCC1(F)F 785fd8beeeb5a561e7f59d66bda987da [0,2,0,1,0,0|1,0,0]=4 41415 B12R1.842 COCCCOC1COC1(C)C afb2e19646a77a6df2c28723b0547c2f [0,2,0,1,0,0|1,0,0]=4 41416 B12R1.842 COCCOCC1CCC1(F)F 6b7991095d0ff44bcb1380553612be08 [0,2,0,1,0,0|1,0,0]=4 41417 B12R1.842 COCCOCC1COC1(C)C 3c5ba5216eefc7741deeea92979523d1 [0,2,0,1,0,0|1,0,0]=4 41418 B12R1.842 CSCCCOC1CCC1(C)C c2becf39e8b0d4159d6616f2c1040a9f [0,2,0,1,0,0|0,0,0]=3 41419 B12R1.842 CSCCCOC1CCC1(F)F b05f55eb6bda4f93ef534248a3eb2f7f [0,2,0,1,0,0|1,0,0]=4 41420 B12R1.842 CSCCCOC1COC1(C)C 1eacb75bfdd17a20b268bd0bb5be148c [0,2,0,1,0,0|1,0,0]=4 41421 B12R1.842 CSCCOCC1CCC1(F)F c3c75a52c08b6aab899ab2680c756868 [0,2,0,1,0,0|1,0,0]=4 41422 B12R1.842 CSCCOCC1COC1(C)C 0e4c0351ec67a51cf6ba4de25ce27615 [0,2,0,1,0,0|1,0,0]=4 41423 B12R1.842 FC1(CCC1COCCCS)F f1485fb2bcf7bd13c867808fab582ef9 [0,2,0,1,0,0|1,0,0]=4 41424 B12R1.842 FC1(CCC1OCCCCS)F 831e6700631680e6ed330ad64d7f705b [0,2,0,1,0,0|1,0,0]=4 41425 B12R1.842 FCCCCOC1CCC1(F)F fc942203a63ea670824e61ed2fca4546 [0,2,0,1,0,0|1,0,0]=4 41426 B12R1.842 FCCCOCC1CCC1(F)F 9d76501b7b490a4380232a38bc5b8648 [0,2,0,1,0,0|1,0,0]=4 41427 B12R1.76 CCN1CCOCC1C(C)(C)C cd9d1f31dbb909b36dab1bca7e2ec032 [0,2,0,1,0,0|1,0,0]=4 41428 B12R1.76 CCN1CCOC[C@H]1C(C)(C)C c17e46939465fe6a460d3fe022b5d691 [0,2,0,1,0,0|1,0,0]=4 41429 B12R1.129 CC1CCCN1CCC(C)(C)C 2f940b7924e602f3d35ff9c14578b93b [0,2,0,1,0,0|1,0,0]=4 41430 B12R1.129 CC1CCCN1CCC(C)(C)O a02968e034aec6984958cff00a50c06e [0,2,0,1,0,0|1,0,0]=4 41431 B12R1.129 CC1CCCN1CCC(C)(F)F 2a0da47f3caf5e57f39f50e3d2e4286e [0,2,0,1,0,0|1,0,0]=4 41432 B12R1.129 C[C@@H]1CCCN1CCC(C)(C)C 954bd8b06e9784aca9a4210baa70847e [0,2,0,1,0,0|1,0,0]=4 41433 B12R1.129 C[C@@H]1CCCN1CCC(C)(C)O 9b29aa1fa31f8fdd4a3d0e3b96e95d3f [0,2,0,1,0,0|1,0,0]=4 41434 B12R1.129 C[C@@H]1CCCN1CCC(C)(F)F 7757359788e021286a99402e70ca9d14 [0,2,0,1,0,0|1,0,0]=4 41435 B12R1.129 C[C@H]1CCCN1CCC(C)(C)C 31717aeacc9db31790937f88553957e6 [0,2,0,1,0,0|1,0,0]=4 41436 B12R1.129 C[C@H]1CCCN1CCC(C)(C)O 933f641f5a8d4fc249a8e923c7c10f18 [0,2,0,1,0,0|1,0,0]=4 41437 B12R1.129 C[C@H]1CCCN1CCC(C)(F)F e034de32f93e3563ad8338660db3c2fb [0,2,0,1,0,0|1,0,0]=4 41438 B12R1.146 CC(C)(C)CCOC[C@@H]1C[C@@H]1F 68ac517709186a01151ff5710e6e4df3 [0,2,0,1,0,0|1,0,0]=4 41439 B12R1.146 CC(C)(C)CCOC[C@@H]1C[C@H]1F 9aa512207fceb30f5efa021d79024177 [0,2,0,1,0,0|1,0,0]=4 41440 B12R1.146 CC(C)(C)CCOC[C@H]1C[C@@H]1F aee098f87b38f643a20a3cdab8410e46 [0,2,0,1,0,0|1,0,0]=4 41441 B12R1.146 CC(C)(C)CCOC[C@H]1C[C@H]1F c7d37a1127d50cc55752cceaed607d0b [0,2,0,1,0,0|1,0,0]=4 41442 B12R1.146 CC(C)(O)CCOC[C@@H]1C[C@@H]1F 8e51cbbf5d7f1db7fb9f258e6f2e1cd8 [0,2,0,1,0,0|1,0,0]=4 41443 B12R1.146 CC(C)(O)CCOC[C@@H]1C[C@H]1F 85503fc3db7ccb07cf384c26795d2843 [0,2,0,1,0,0|1,0,0]=4 41444 B12R1.146 CC(C)(O)CCOC[C@H]1C[C@@H]1F 69c644fa31dd4de1dfe0ec342bc8832d [0,2,0,1,0,0|1,0,0]=4 41445 B12R1.146 CC(C)(O)CCOC[C@H]1C[C@H]1F dd4d19e9b34035e51039596237692ea0 [0,2,0,1,0,0|1,0,0]=4 41446 B12R1.146 CC(F)(F)CCOC[C@@H]1C[C@@H]1F 6b80be0f81c161d818cc6d61a1cf68f4 [0,2,0,1,0,0|1,0,0]=4 41447 B12R1.146 CC(F)(F)CCOC[C@@H]1C[C@H]1F 0946f8de04820cc1f9b99d3082ee791b [0,2,0,1,0,0|1,0,0]=4 41448 B12R1.146 CC(F)(F)CCOC[C@H]1C[C@@H]1F e9eeee44729431a4d2f834615675578f [0,2,0,1,0,0|1,0,0]=4 41449 B12R1.146 CC(F)(F)CCOC[C@H]1C[C@H]1F 15684aeb8e824110028941b30ec11baf [0,2,0,1,0,0|1,0,0]=4 41450 B12R1.146 CC1CC1COCCC(C)(C)C d3ea56b7ef18b24a3034db8e6f6a7b6e [0,2,0,1,0,0|0,0,0]=3 41451 B12R1.146 CC1CC1COCCC(C)(C)O d379ec5f01bbcf4876a4edf21a4e90cd [0,2,0,1,0,0|0,0,0]=3 41452 B12R1.146 CC1CC1COCCC(C)(F)F f7bd97ec5817ce680e4be2bb0faaad58 [0,2,0,1,0,0|0,0,0]=3 41453 B12R1.146 CC1CC1COCCC(F)(F)F 4be53142130ad63f189d698fd67a3146 [0,2,0,1,0,0|1,0,0]=4 41454 B12R1.146 CC1CC1COCCS(=O)(=O)C f48c7cd4bdd6384a0fd6c82e846b1db0 [0,2,0,1,0,0|1,0,0]=4 41455 B12R1.146 CC1CC1NCCCC(C)(C)O aa699251e7adada23ff937a501249c12 [0,2,0,1,0,0|1,0,0]=4 41456 B12R1.146 CC1CC1NCCCC(C)(F)F 9cee1736b8ba6226e317ae66d705d4dc [0,2,0,1,0,0|1,0,0]=4 41457 B12R1.146 C[C@@H]1C[C@H]1COCCC(C)(C)C b5302e05e994cdc88c37d9205d346b5f [0,2,0,1,0,0|0,0,0]=3 41458 B12R1.146 C[C@@H]1C[C@H]1COCCC(C)(C)O 28dc612ad490c30ea1e741c4f63462fb [0,2,0,1,0,0|0,0,0]=3 41459 B12R1.146 C[C@@H]1C[C@H]1COCCC(C)(F)F f6feeb654856386656107cb42f73c600 [0,2,0,1,0,0|0,0,0]=3 41460 B12R1.146 C[C@@H]1C[C@H]1COCCC(F)(F)F 1d7935d2d34fa40a96c901ea2abb950f [0,2,0,1,0,0|1,0,0]=4 41461 B12R1.146 C[C@@H]1C[C@H]1COCCS(=O)(=O)C 1db0cfc1926ac7d48ce5990700b16ce0 [0,2,0,1,0,0|1,0,0]=4 41462 B12R1.146 C[C@H]1C[C@@H]1COCCC(C)(C)C dd3e4955f6df228e63c86df35995c26a [0,2,0,1,0,0|0,0,0]=3 41463 B12R1.146 C[C@H]1C[C@@H]1COCCC(C)(C)O a50a18e7ea0b301e7ed6c979d58b8df1 [0,2,0,1,0,0|0,0,0]=3 41464 B12R1.146 C[C@H]1C[C@@H]1COCCC(C)(F)F 56e72e70723a32b321365375b832b0b2 [0,2,0,1,0,0|0,0,0]=3 41465 B12R1.146 C[C@H]1C[C@@H]1COCCC(F)(F)F 164d50a23d40f5f08ab8500ffcac821e [0,2,0,1,0,0|1,0,0]=4 41466 B12R1.146 C[C@H]1C[C@@H]1COCCS(=O)(=O)C a206fd15234712269c288f45c4092cf6 [0,2,0,1,0,0|1,0,0]=4 41467 B12R1.146 C[C@H]1C[C@H]1COCCC(C)(C)C d92dfcc4f3e55ae1031866524c6263cc [0,2,0,1,0,0|0,0,0]=3 41468 B12R1.146 C[C@H]1C[C@H]1COCCC(C)(C)O d7f05060dae4d78b4c3fd50fb8d094e0 [0,2,0,1,0,0|0,0,0]=3 41469 B12R1.146 C[C@H]1C[C@H]1COCCC(C)(F)F 1196ad4a0bfbf544e803cde4467a7cad [0,2,0,1,0,0|0,0,0]=3 41470 B12R1.146 C[C@H]1C[C@H]1COCCC(F)(F)F edaab0cc07e8e0c68c99a23be22a9d6a [0,2,0,1,0,0|1,0,0]=4 41471 B12R1.146 C[C@H]1C[C@H]1COCCS(=O)(=O)C c2043459a14fc2718d7a8c4f3be93500 [0,2,0,1,0,0|1,0,0]=4 41472 B12R1.207 CC1OCC1OCCC(C)(C)C 38c3d5985864f2950dcfa3ffcdee077f [0,2,0,1,0,0|1,0,0]=4 41473 B12R1.207 CC1OCC1OCCC(C)(C)O 3877a03f5bf74cf19fd5da46a403e009 [0,2,0,1,0,0|1,0,0]=4 41474 B12R1.207 CC1OCC1OCCC(C)(F)F 31c6ddcda555b3fc97040af275eb7437 [0,2,0,1,0,0|1,0,0]=4 41475 B12R1.207 C[C@@H]1CC[C@@H]1NCCC(C)(C)C 8d21de13cd81dfab8d8340c4bbc67bd7 [0,2,0,1,0,0|1,0,0]=4 41476 B12R1.207 C[C@@H]1CC[C@@H]1NCCC(C)(C)O c83149930c770686060335f7a58f274d [0,2,0,1,0,0|1,0,0]=4 41477 B12R1.207 C[C@@H]1CC[C@@H]1NCCC(C)(F)F e930b2c9904bf5e9b6af4a016c07d1b0 [0,2,0,1,0,0|1,0,0]=4 41478 B12R1.207 C[C@@H]1CC[C@H]1NCCC(C)(C)C e542026521d7e25eb50fe9c889842eaf [0,2,0,1,0,0|1,0,0]=4 41479 B12R1.207 C[C@@H]1CC[C@H]1NCCC(C)(C)O 338743bfb5d8cf18138d2afd4992adb8 [0,2,0,1,0,0|1,0,0]=4 41480 B12R1.207 C[C@@H]1CC[C@H]1NCCC(C)(F)F c03bfd225b93d3a57367653fb0488763 [0,2,0,1,0,0|1,0,0]=4 41481 B12R1.441 CCC1CCN1CCC(C)(C)C 8e80100b1559cc0b76832a3d72ca1739 [0,2,0,1,0,0|1,0,0]=4 41482 B12R1.441 CCC1CCN1CCC(C)(C)O 135a1c5a1deb2c1b8f1fe03bc8cb8565 [0,2,0,1,0,0|1,0,0]=4 41483 B12R1.441 CCC1CCN1CCC(C)(F)F bcb420bb5f9871f370db6b92caaf59cb [0,2,0,1,0,0|1,0,0]=4 41484 B12R1.546 CC(C)(C)CCCNC1CCC1 dd7758ed9e3998d7bfedd5cfeca318f8 [0,2,0,1,0,0|1,0,0]=4 41485 B12R1.546 CC(C)(C)CCCOC1CCC1 734e2f465621c6c24bafd7586d0b0f85 [0,2,0,1,0,0|0,0,0]=3 41486 B12R1.546 CC(C)(C)CCCOC1COC1 34079747de4f95805bf4938503e77d1f [0,2,0,1,0,0|1,0,0]=4 41487 B12R1.546 CC(C)(C)CCNCC1CCC1 8ec33bf7e00e395fd27d4ba1094814f8 [0,2,0,1,0,0|1,0,0]=4 41488 B12R1.546 CC(C)(C)CCOCC1CCC1 4be4ce0888558576b834ba6c39c74caf [0,2,0,1,0,0|0,0,0]=3 41489 B12R1.546 CC(C)(C)CCOCC1CCO1 1f203c032c937d551912a2e267ced4fb [0,2,0,1,0,0|1,0,0]=4 41490 B12R1.546 CC(C)(C)CCOCC1COC1 0f492fbc75cdf85dbe68d8056764b812 [0,2,0,1,0,0|1,0,0]=4 41491 B12R1.546 CC(C)(C)CCOCC1CSC1 6a50c03cf4c9d3d880ad6bc2856b7000 [0,2,0,1,0,0|1,0,0]=4 41492 B12R1.546 CC(C)(C)CCOC[C@@H]1CCO1 17e0a177e96366216570e0d66d6d41a3 [0,2,0,1,0,0|1,0,0]=4 41493 B12R1.546 CC(C)(C)CCOC[C@H]1CCO1 2fa8a19050d2a15b9dfdab6664d7235f [0,2,0,1,0,0|1,0,0]=4 41494 B12R1.546 CC(C)(C)NCCOC1CCC1 3981c117c59971a9a50b90df0f9509b4 [0,2,0,1,0,0|1,0,0]=4 41495 B12R1.546 CC(C)(C)OCCOC1CCC1 551f415406d997541492817c2f6fbe77 [0,2,0,1,0,0|1,0,0]=4 41496 B12R1.546 CC(C)(C)SCCOC1CCC1 d2b95d538ea924817a116e9f3ca34e21 [0,2,0,1,0,0|1,0,0]=4 41497 B12R1.546 CC(C)(F)CCNCC1CCC1 fd7932cc7e9db8dbf9ece595bad74c49 [0,2,0,1,0,0|1,0,0]=4 41498 B12R1.546 CC(C)(O)CCCNC1CCC1 caf8d4dd0e7f880b4a29cc29cfa04280 [0,2,0,1,0,0|1,0,0]=4 41499 B12R1.546 CC(C)(O)CCCOC1CCC1 2a3eec23a206ab7105900d9c77e94e27 [0,2,0,1,0,0|0,0,0]=3 41500 B12R1.546 CC(C)(O)CCCOC1COC1 c92e3ff09abd3e51aa1f7d7f0e06b948 [0,2,0,1,0,0|1,0,0]=4 41501 B12R1.546 CC(C)(O)CCCOC1CSC1 bc0038b4f5b49db7ce7e8f258396a40b [0,2,0,1,0,0|1,0,0]=4 41502 B12R1.546 CC(C)(O)CCNCC1CCC1 ac2a99078bd4b683b93658f42cfd575a [0,2,0,1,0,0|1,0,0]=4 41503 B12R1.546 CC(C)(O)CCOCC1CCC1 614dd2d0afa13c704f6086ab4a9ee7a2 [0,2,0,1,0,0|0,0,0]=3 41504 B12R1.546 CC(C)(O)CCOCC1CCO1 16ffca75751143695c6e6ea9b7f59fa0 [0,2,0,1,0,0|1,0,0]=4 41505 B12R1.546 CC(C)(O)CCOCC1COC1 6e0962386e6bc7002ef270674e9e45fb [0,2,0,1,0,0|1,0,0]=4 41506 B12R1.546 CC(C)(O)CCOCC1CSC1 0aa51a32d9dcb9a6b6e8e34eeac0567d [0,2,0,1,0,0|1,0,0]=4 41507 B12R1.546 CC(C)(O)CCOC[C@@H]1CCO1 7c96cbdf7cacba57ea84c68efc03249c [0,2,0,1,0,0|1,0,0]=4 41508 B12R1.546 CC(C)(O)CCOC[C@H]1CCO1 25f6ffdce710a7395fcca9f729e47d6e [0,2,0,1,0,0|1,0,0]=4 41509 B12R1.546 CC(C)(S)CCOCC1CCC1 194e8856da99f54cc9037c20f46c0648 [0,2,0,1,0,0|0,0,0]=3 41510 B12R1.546 CC(C)(S)CCOCC1CCO1 a229f73beccccc2eb166abcc25753f46 [0,2,0,1,0,0|1,0,0]=4 41511 B12R1.546 CC(C)(S)CCOCC1COC1 626455c841983792061ae56434c7769a [0,2,0,1,0,0|1,0,0]=4 41512 B12R1.546 CC(C)(S)CCOC[C@@H]1CCO1 cf8cc1aba2e9dccbb7fbc507a343cf6d [0,2,0,1,0,0|1,0,0]=4 41513 B12R1.546 CC(C)(S)CCOC[C@H]1CCO1 abc8d46ae4f695640c0a8e56ee4afa7f [0,2,0,1,0,0|1,0,0]=4 41514 B12R1.546 CC(F)(F)CCCNC1CCC1 e86c4885868ba993bf83369befb05fc5 [0,2,0,1,0,0|1,0,0]=4 41515 B12R1.546 CC(F)(F)CCCOC1CCC1 59511b807b06fc150a70f79d43507f55 [0,2,0,1,0,0|0,0,0]=3 41516 B12R1.546 CC(F)(F)CCCOC1COC1 51214e6226a90e56942ecb7c4bd8738f [0,2,0,1,0,0|1,0,0]=4 41517 B12R1.546 CC(F)(F)CCCOC1CSC1 ab4bc08048132c675dffb73083aaacec [0,2,0,1,0,0|1,0,0]=4 41518 B12R1.546 CC(F)(F)CCNCC1CCC1 263885ca36f6c0d6b79f017cb7f1bd9f [0,2,0,1,0,0|1,0,0]=4 41519 B12R1.546 CC(F)(F)CCOCC1CCC1 ffb51ba41a58d8292303f2e43ee74442 [0,2,0,1,0,0|0,0,0]=3 41520 B12R1.546 CC(F)(F)CCOCC1CCO1 821b041e569624d156c3884af76dd1f1 [0,2,0,1,0,0|1,0,0]=4 41521 B12R1.546 CC(F)(F)CCOCC1COC1 de4fd36fb6b63354de02c8d861e45ad7 [0,2,0,1,0,0|1,0,0]=4 41522 B12R1.546 CC(F)(F)CCOCC1CSC1 e060e80dcceb2ca58588ec74326eb843 [0,2,0,1,0,0|1,0,0]=4 41523 B12R1.546 CC(F)(F)CCOC[C@@H]1CCO1 3113f5de995fcb4ce5055fc130696c84 [0,2,0,1,0,0|1,0,0]=4 41524 B12R1.546 CC(F)(F)CCOC[C@H]1CCO1 51541324f56c43649d7782758d12a2b8 [0,2,0,1,0,0|1,0,0]=4 41525 B12R1.546 CS(=N)(=O)CCOCC1CCC1 59a47659a5ccf53d082f625a36d981d4 [0,2,0,1,0,0|1,0,0]=4 41526 B12R1.546 CS(=O)(=O)CCCOC1CCC1 c6d89b05208deca5478abef024c1d334 [0,2,0,1,0,0|1,0,0]=4 41527 B12R1.546 CS(=O)(=O)CCOCC1CCC1 923cda8609148d3b6fb0393764d0a8ee [0,2,0,1,0,0|1,0,0]=4 41528 B12R1.546 FC(F)(F)CCCOC1CCC1 e9e17c434ff616c46c5cfb39f878b061 [0,2,0,1,0,0|1,0,0]=4 41529 B12R1.546 FC(F)(F)CCOCC1CCC1 e21029baf78a0a9e5ea5124ddecf9797 [0,2,0,1,0,0|1,0,0]=4 41530 B12R1.547 CC(C)(C)CCCNCC1CC1 074a0ca7dd56039b0ee237c34b3515bc [0,2,0,1,0,0|1,0,0]=4 41531 B12R1.547 CC(C)(C)CCCOCC1CC1 c774eb1fa03bf01060c0daec3e99a5e8 [0,2,0,1,0,0|0,0,0]=3 41532 B12R1.547 CC(C)(C)CCNCCC1CC1 53a173821b88bb4e7e8a9cd0df216034 [0,2,0,1,0,0|1,0,0]=4 41533 B12R1.547 CC(C)(C)CCOCCC1CC1 ca2883a6a3a8992fe650d194de6ed171 [0,2,0,1,0,0|0,0,0]=3 41534 B12R1.547 CC(C)(C)CCOCCN1CC1 0bc657f3c6c7b2238852bc70c52a6e76 [0,2,0,1,0,0|1,0,0]=4 41535 B12R1.547 CC(C)(C)OCCOCC1CC1 e6307836343b2fadd4087c84f7199b32 [0,2,0,1,0,0|1,0,0]=4 41536 B12R1.547 CC(C)(C)SCCOCC1CC1 e33823660d6a35dfe0b6dd42242684e3 [0,2,0,1,0,0|1,0,0]=4 41537 B12R1.547 CC(C)(F)CCNCCC1CC1 a49cbfdd5c08841171fc856fdd3a414a [0,2,0,1,0,0|1,0,0]=4 41538 B12R1.547 CC(C)(O)CCCNCC1CC1 ee722913eeb68439852fd6ab474b3a85 [0,2,0,1,0,0|1,0,0]=4 41539 B12R1.547 CC(C)(O)CCCOCC1CC1 f3bf0d9fe0aadff9994f9a2e0fe71be8 [0,2,0,1,0,0|0,0,0]=3 41540 B12R1.547 CC(C)(O)CCNCCC1CC1 2017b90e83ef3d973a64a4be021859a8 [0,2,0,1,0,0|1,0,0]=4 41541 B12R1.547 CC(C)(O)CCOCCC1CC1 17489e792569fd9af8fb056898c60240 [0,2,0,1,0,0|0,0,0]=3 41542 B12R1.547 CC(C)(O)CCOCCN1CC1 5e4a6fd58b7424414be11d35efa83cee [0,2,0,1,0,0|1,0,0]=4 41543 B12R1.547 CC(C)(S)CCOCCC1CC1 e6c831f80b8d2c99ce4d32d6b36bd83b [0,2,0,1,0,0|0,0,0]=3 41544 B12R1.547 CC(F)(F)CCCNCC1CC1 bf72241094dbf0032b8c0f9b59fa0eda [0,2,0,1,0,0|1,0,0]=4 41545 B12R1.547 CC(F)(F)CCCOCC1CC1 d29380fa68d59f6d143c46d8343c9fff [0,2,0,1,0,0|0,0,0]=3 41546 B12R1.547 CC(F)(F)CCNCCC1CC1 7875a8a01a505eff36904667c3f550b6 [0,2,0,1,0,0|1,0,0]=4 41547 B12R1.547 CC(F)(F)CCOCCC1CC1 c81f711dafd347bde6f662e722ecf541 [0,2,0,1,0,0|0,0,0]=3 41548 B12R1.547 CC(F)(F)CCOCCN1CC1 3fcfbb319c793b61c03fd6247e777f31 [0,2,0,1,0,0|1,0,0]=4 41549 B12R1.547 CS(=N)(=O)CCOCCC1CC1 015f7c262b9f957dffaf372c4ea2cbfe [0,2,0,1,0,0|1,0,0]=4 41550 B12R1.547 CS(=O)(=O)CCCOCC1CC1 cb3f9dd8f2be3e5235da33765dac1cc6 [0,2,0,1,0,0|1,0,0]=4 41551 B12R1.547 CS(=O)(=O)CCOCCC1CC1 ac7f2060f93108d41cc1b8e3a663ea44 [0,2,0,1,0,0|1,0,0]=4 41552 B12R1.547 FC(F)(F)CCCOCC1CC1 5e1afe4d6de9cf99ce16d4175b2b275b [0,2,0,1,0,0|1,0,0]=4 41553 B12R1.547 FC(F)(F)CCOCCC1CC1 8edfdba45a5ef491cf8ff45646bae625 [0,2,0,1,0,0|1,0,0]=4 41554 B12R1.890 CC(C)(C)CCNC1CCCC1 184aca3bb32499064e3ab299389964c0 [0,2,0,1,0,0|1,0,0]=4 41555 B12R1.890 CC(C)(C)CCOC1CCCC1 a8f74aaa5565909985875568c401708a [0,2,0,1,0,0|0,0,0]=3 41556 B12R1.890 CC(C)(C)CCOC1CCCO1 3b45f22590b635de231796e74c4d9123 [0,2,0,1,0,0|1,0,0]=4 41557 B12R1.890 CC(C)(C)CCOC1CCOC1 72b523afdf39c9ee854ce6914a9dbea7 [0,2,0,1,0,0|1,0,0]=4 41558 B12R1.890 CC(C)(C)CCOC1CCSC1 a307df82def0ed200e96b6c1ddddd258 [0,2,0,1,0,0|1,0,0]=4 41559 B12R1.890 CC(C)(C)CCO[C@@H]1CCOC1 c54d7af560fd230e6a01e44a3aa05ae1 [0,2,0,1,0,0|1,0,0]=4 41560 B12R1.890 CC(C)(C)CCO[C@@H]1CCSC1 8b93fcbbb2818ddfb774832e814b35c2 [0,2,0,1,0,0|1,0,0]=4 41561 B12R1.890 CC(C)(C)CCO[C@H]1CCOC1 710ada68e0c0663a55a8794496e7d1c1 [0,2,0,1,0,0|1,0,0]=4 41562 B12R1.890 CC(C)(C)CCO[C@H]1CCSC1 168475cec4af7f27577649f456a852ad [0,2,0,1,0,0|1,0,0]=4 41563 B12R1.890 CC(C)(F)CCNC1CCCC1 76e5d688df00f6b66e3e48474965b84f [0,2,0,1,0,0|1,0,0]=4 41564 B12R1.890 CC(C)(O)CCNC1CCCC1 dc804182db8092bf7085615c3288168d [0,2,0,1,0,0|1,0,0]=4 41565 B12R1.890 CC(C)(O)CCOC1CCCC1 e9f73ea139f2168c87f8a8392f4358af [0,2,0,1,0,0|0,0,0]=3 41566 B12R1.890 CC(C)(O)CCOC1CCCO1 c16287e96ae59ba129d074a46bd8eaf3 [0,2,0,1,0,0|1,0,0]=4 41567 B12R1.890 CC(C)(O)CCOC1CCOC1 eb75ebd3c7f6060d0d0c0cf5cc24683e [0,2,0,1,0,0|1,0,0]=4 41568 B12R1.890 CC(C)(O)CCOC1CCSC1 532c3944df0ed1992ef45a46d6137a66 [0,2,0,1,0,0|1,0,0]=4 41569 B12R1.890 CC(C)(O)CCO[C@@H]1CCOC1 dea85a333c5bba3efc0f67d213497495 [0,2,0,1,0,0|1,0,0]=4 41570 B12R1.890 CC(C)(O)CCO[C@@H]1CCSC1 963ca922b82886cdbd92103170b33e4b [0,2,0,1,0,0|1,0,0]=4 41571 B12R1.890 CC(C)(O)CCO[C@H]1CCOC1 dd682a6a1b1d46794ac4e9260d3767c6 [0,2,0,1,0,0|1,0,0]=4 41572 B12R1.890 CC(C)(O)CCO[C@H]1CCSC1 ad050f47d82f618aeb6ecca969eec039 [0,2,0,1,0,0|1,0,0]=4 41573 B12R1.890 CC(C)(S)CCOC1CCCC1 221cb630812975cd7a45c6744c6e4161 [0,2,0,1,0,0|0,0,0]=3 41574 B12R1.890 CC(C)(S)CCOC1CCOC1 fc2c01c30c797c7f9120dd8ff71d7755 [0,2,0,1,0,0|1,0,0]=4 41575 B12R1.890 CC(C)(S)CCO[C@@H]1CCOC1 c0dc2da8cbab894432823b74af14c311 [0,2,0,1,0,0|1,0,0]=4 41576 B12R1.890 CC(C)(S)CCO[C@H]1CCOC1 6905da27675c3d9364e3fcbb1a6a8d6c [0,2,0,1,0,0|1,0,0]=4 41577 B12R1.890 CC(F)(F)CCNC1CCCC1 2a63dada67296845a73d4c2d7568c738 [0,2,0,1,0,0|1,0,0]=4 41578 B12R1.890 CC(F)(F)CCOC1CCCC1 50f42491952b9b1bfc842ea5f05b6b84 [0,2,0,1,0,0|0,0,0]=3 41579 B12R1.890 CC(F)(F)CCOC1CCCO1 e9e2baee22c5b6723dca1dc56b973b4b [0,2,0,1,0,0|1,0,0]=4 41580 B12R1.890 CC(F)(F)CCOC1CCOC1 5c366ed1a932081c13ddd17d23e1c28d [0,2,0,1,0,0|1,0,0]=4 41581 B12R1.890 CC(F)(F)CCOC1CCSC1 4f5c86f01c4374c68c2f0feb0fcb51a6 [0,2,0,1,0,0|1,0,0]=4 41582 B12R1.890 CC(F)(F)CCO[C@@H]1CCOC1 e2ecb117b0f162f1a0c1b9de13b0fb51 [0,2,0,1,0,0|1,0,0]=4 41583 B12R1.890 CC(F)(F)CCO[C@@H]1CCSC1 ef3729ce146c3085c53a8362d52334f0 [0,2,0,1,0,0|1,0,0]=4 41584 B12R1.890 CC(F)(F)CCO[C@H]1CCOC1 4faa848dfac5b891801ba36326b89f5b [0,2,0,1,0,0|1,0,0]=4 41585 B12R1.890 CC(F)(F)CCO[C@H]1CCSC1 87f1ab26874bc15d394b113f3b81c0c4 [0,2,0,1,0,0|1,0,0]=4 41586 B12R1.890 CS(=N)(=O)CCOC1CCCC1 ee5cb51f3a00e8669775f32522c927b7 [0,2,0,1,0,0|1,0,0]=4 41587 B12R1.890 CS(=O)(=O)CCOC1CCCC1 980d12c133a80571c651d27496608ab8 [0,2,0,1,0,0|1,0,0]=4 41588 B12R1.890 FC(F)(F)CCOC1CCCC1 a2893237a8b63f90cb4a6aaaf03c8a18 [0,2,0,1,0,0|1,0,0]=4 41589 B12R1.891 CC(C)(Br)COC1CCCCO1 5ebb0debccf2accf92dba7c129100184 [0,2,0,1,0,0|1,0,0]=4 41590 B12R1.891 CC(C)(C)CNC1CCCCO1 03bf0cc494b9b262779e77d6c5dfb088 [0,2,0,1,0,0|1,0,0]=4 41591 B12R1.891 CC(C)(C)COC1CCCCO1 679870f551c078bdf20f4ef619796af7 [0,2,0,1,0,0|1,0,0]=4 41592 B12R1.891 CC(C)(C)NCC1CCCCO1 c3ccf0f473121b0e3a2866ab8a885c36 [0,2,0,1,0,0|1,0,0]=4 41593 B12R1.891 CC(C)(F)COC1CCCCO1 4db98808ae98b798b718b6c49579502e [0,2,0,1,0,0|1,0,0]=4 41594 B12R1.891 CC(C)(O)CNC1CCCCO1 9e6556a76995f2c9946d542c4a6bc235 [0,2,0,1,0,0|1,0,0]=4 41595 B12R1.891 CC(C)(O)COC1CCCCO1 cc57bcaf0eced9a51278e5736b1478dd [0,2,0,1,0,0|1,0,0]=4 41596 B12R1.891 CC(C)(S)COC1CCCCO1 ecef976417847b86f5643eb8a6e44480 [0,2,0,1,0,0|1,0,0]=4 41597 B12R1.891 CC(F)(F)COC1CCCCO1 3b5d8cdc23134e0012a4cd514f7a8c54 [0,2,0,1,0,0|1,0,0]=4 41598 B12R1.18 C#CCCN1CCOCCC1C 8dc866e3abf947f093be36bd350c843a [0,2,0,1,0,0|0,0,1]=4 41599 B12R1.18 C/C=C/CN1CCOCCC1C be81def008b6f3257b126abd9a3836c7 [0,2,0,1,0,0|0,0,1]=4 41600 B12R1.18 C/C=C\CN1CCOCCC1C bff6c67cd67e4ff0b0c36e343ab2ab7d [0,2,0,1,0,0|0,0,1]=4 41601 B12R1.18 C=CCCN1CCOCCC1C 5926f0b86971439e8f4836adebeebf4c [0,2,0,1,0,0|0,0,1]=4 41602 B12R1.18 CC1CCCCCN1CCCF e97645a29cd3193d4d050fc6c0533f9c [0,2,0,1,0,0|1,0,0]=4 41603 B12R1.18 CC1CCCCCN1CCCO 41348fa4235b0eb9d5df2a4c0bbf2dc1 [0,2,0,1,0,0|1,0,0]=4 41604 B12R1.18 CC1CCCCCN1CCCS a5d143e0bd56ebe30aa894c28fef21bf [0,2,0,1,0,0|1,0,0]=4 41605 B12R1.18 CC1CCOCCN1CCC#N f4636dec7f32912e66854a8fc12b8108 [0,2,0,1,0,0|0,0,1]=4 41606 B12R1.18 CC1CCOCCN1CCC=O 3ed06211a18133c9c6a76bcf59193145 [0,2,0,1,0,0|0,0,1]=4 41607 B12R1.18 CC1CCOCCN1CCCF 0b20c36aeab9bdc10f0a91d085e61677 [0,2,0,1,0,0|0,0,0]=3 41608 B12R1.18 CC1CCOCCN1CCCO 6c3467a401f00ee04294c409c9291b7f [0,2,0,1,0,0|0,0,0]=3 41609 B12R1.18 CC1CCOCCN1CCCS 02b9b4b57c526d9654a6cfe360d0f581 [0,2,0,1,0,0|0,0,0]=3 41610 B12R1.18 CC1CCSCCN1CCCF cf422eb4127f66623c60d3082efea68b [0,2,0,1,0,0|0,1,0]=4 41611 B12R1.18 CC1CCSCCN1CCCO 01f399bbff013556ab0104a5434cda23 [0,2,0,1,0,0|0,1,0]=4 41612 B12R1.18 CC1CCSCCN1CCCS 370a3ea3dcc4e6b6ae00117b9dce5fd8 [0,2,0,1,0,0|0,1,0]=4 41613 B12R1.18 CCCCN1CCCCCC1C bc1bcf1c6d85651cf150049b15f29ddc [0,2,0,1,0,0|1,0,0]=4 41614 B12R1.18 CCCCN1CCCOCC1C 9f5830032de7262b222c0185a130f4da [0,2,0,1,0,0|1,0,0]=4 41615 B12R1.18 CCCCN1CCOCCC1C bc08baf9bda6fa9375604a6e9556c7be [0,2,0,1,0,0|0,0,0]=3 41616 B12R1.18 CCCCN1CCSCCC1C a7fcc8895846d3004330cc88c7a97a14 [0,2,0,1,0,0|0,1,0]=4 41617 B12R1.18 CCCNC1CCCCCC1=O f3f393887363398b7fbe92d37dd3e1fa [0,2,0,1,0,0|1,0,0]=4 41618 B12R1.18 CCCN[C@@H]1CCCCC[C@@H]1O 84864d0bdbb682a0996966d7087dd0d8 [0,2,0,1,0,0|1,0,0]=4 41619 B12R1.18 CCCN[C@@H]1CCCCC[C@H]1O d11501c0e768b2e131548276feddf729 [0,2,0,1,0,0|1,0,0]=4 41620 B12R1.18 CCCN[C@H]1CCCCC[C@@H]1O c0252d14027ead24e692bc8a482c5d5c [0,2,0,1,0,0|1,0,0]=4 41621 B12R1.18 CCCOC1CCCCCC1=O 4ba42e6fd237c418e07f214d26aae088 [0,2,0,1,0,0|1,0,0]=4 41622 B12R1.18 CCOCC1CCCCCN1C fe896763f54114ae602eeb847946889b [0,2,0,1,0,0|1,0,0]=4 41623 B12R1.18 CCOCN1CCCCCC1C 927ec66506ffa3411073170b1f865507 [0,2,0,1,0,0|1,0,0]=4 41624 B12R1.18 CCOCN1CCOCCC1C 329ec5359e7d846161a4f5b9676c7fea [0,2,0,1,0,0|0,0,0]=3 41625 B12R1.18 CCOCN1CCSCCC1C 209ac70ba6fcab88fadc484176cf2d57 [0,2,0,1,0,0|0,1,0]=4 41626 B12R1.18 COCCN1CCCCCC1C cc697980bfe48fcaa8172f5ca9e35eb6 [0,2,0,1,0,0|1,0,0]=4 41627 B12R1.18 COCCN1CCOCCC1C c3af6652f839c9c32c343e445a2175c7 [0,2,0,1,0,0|0,0,0]=3 41628 B12R1.18 COCCN1CCSCCC1C 694d466280fed1b0f2a70010a5557b51 [0,2,0,1,0,0|0,1,0]=4 41629 B12R1.18 CSCCN1CCCCCC1C c4e5100d8d151ad25e1b60e6e12a0c40 [0,2,0,1,0,0|1,0,0]=4 41630 B12R1.18 CSCCN1CCOCCC1C 232bd71fd5b3297a23ce0d59dad99f26 [0,2,0,1,0,0|0,0,0]=3 41631 B12R1.18 CSCCN1CCSCCC1C a1e105d719be14e419a2d05065c27f6e [0,2,0,1,0,0|0,1,0]=4 41632 B12R1.121 C#CC1CCCCN1CCCC 20b218d27ad496d08edb25ca73749c8a [0,2,0,1,0,0|1,0,0]=4 41633 B12R1.121 C#CCCN1CCOCC1CC 95ac72b8100a42dd30eef41ad8b9b201 [0,2,0,1,0,0|0,0,1]=4 41634 B12R1.121 C#CCCN1CCOC[C@@H]1CC 10101c3c5635d32faa87fc2cc01a1fe8 [0,2,0,1,0,0|0,0,1]=4 41635 B12R1.121 C#CCCN1CCOC[C@H]1CC 9358c152aba6ffa87b4c435e83fc7345 [0,2,0,1,0,0|0,0,1]=4 41636 B12R1.121 C#CCNC1CCOCC1CC 81edb43ec7252d985634e0352d60d3e9 [0,2,0,1,0,0|0,0,1]=4 41637 B12R1.121 C/C=C/CN1CCOCC1CC e8288b115e14374873c808264b05bd37 [0,2,0,1,0,0|0,0,1]=4 41638 B12R1.121 C/C=C/CN1CCOC[C@@H]1CC ed70f6b3d1ddc9bde7f971e2da2944cf [0,2,0,1,0,0|0,0,1]=4 41639 B12R1.121 C/C=C/CN1CCOC[C@H]1CC 0cf92dcfc5ef2a87e5470971b29dafeb [0,2,0,1,0,0|0,0,1]=4 41640 B12R1.121 C/C=C\CN1CCOCC1CC 035998a15cc3f79e3644157cb7f496c4 [0,2,0,1,0,0|0,0,1]=4 41641 B12R1.121 C/C=C\CN1CCOC[C@@H]1CC 70ecf5b93cf242f984488915e666c1f9 [0,2,0,1,0,0|0,0,1]=4 41642 B12R1.121 C/C=C\CN1CCOC[C@H]1CC 3a4de73fe6f10a1ce3bada2864a7ebae [0,2,0,1,0,0|0,0,1]=4 41643 B12R1.121 C=CCCN1CCOCC1CC 6fa268f0417d2d13e57906891b80a2bf [0,2,0,1,0,0|0,0,1]=4 41644 B12R1.121 C=CCCN1CCOC[C@@H]1CC 3b2a74d7185e7ec2c8d66d745cd0a8c9 [0,2,0,1,0,0|0,0,1]=4 41645 B12R1.121 C=CCCN1CCOC[C@H]1CC 205f10de79d7101d1d78ae2f7a62cf72 [0,2,0,1,0,0|0,0,1]=4 41646 B12R1.121 C=CCNC1CCOCC1CC 77a5c6bae9b6c002a76ba0f0490be32d [0,2,0,1,0,0|0,0,1]=4 41647 B12R1.121 CC#CCN1CCOCC1CC 86ecb5269a342c4bf3024b6d3c69de5f [0,2,0,1,0,0|0,0,1]=4 41648 B12R1.121 CC#CCN1CCOC[C@@H]1CC ba75a7f1b7ebf03fb4785d7928c3aad5 [0,2,0,1,0,0|0,0,1]=4 41649 B12R1.121 CC#CCN1CCOC[C@H]1CC 02e8f9aa6a5f34788b25f968941f43de [0,2,0,1,0,0|0,0,1]=4 41650 B12R1.121 CCC1CCCCC1OCCF 67f60fa8a8bed8e26b6d678b49b6e8c4 [0,2,0,1,0,0|1,0,0]=4 41651 B12R1.121 CCC1CCCCC1OCCS 44794fcfb0bdcca2cb4956d195ba2403 [0,2,0,1,0,0|1,0,0]=4 41652 B12R1.121 CCC1CCCCC1OCOC 9510cb481217543ba3a50556526da937 [0,2,0,1,0,0|1,0,0]=4 41653 B12R1.121 CCC1CCCCC1OCSC bd8c7c69cf2c8e43760dcb3c3edd1623 [0,2,0,1,0,0|1,0,0]=4 41654 B12R1.121 CCC1CCCCN1CCCF 18ac2647e6bce3901694c94319932a46 [0,2,0,1,0,0|1,0,0]=4 41655 B12R1.121 CCC1CCCCN1CCCO 4fcc2994db70d092c5b3b0e0f9081de4 [0,2,0,1,0,0|1,0,0]=4 41656 B12R1.121 CCC1CCCCN1CCCS e950cbef878747bbfd08985734b2b562 [0,2,0,1,0,0|1,0,0]=4 41657 B12R1.121 CCC1CCCCN1CCOC dc361dd8df42d2a450942e59bb79f222 [0,2,0,1,0,0|1,0,0]=4 41658 B12R1.121 CCC1CCCCN1CCSC 2ae3a3a46280b09a46902671c07ecaca [0,2,0,1,0,0|1,0,0]=4 41659 B12R1.121 CCC1COCCC1NCC#N 77296591e7f56ec40db3cb66fdda4d90 [0,2,0,1,0,0|0,0,1]=4 41660 B12R1.121 CCC1COCCC1NCC=O 12adff651cff90023adc5408ac05b83b [0,2,0,1,0,0|0,0,1]=4 41661 B12R1.121 CCC1COCCC1NCCF 0234d8e7dd554a91ad81a8eb05485b06 [0,2,0,1,0,0|0,0,0]=3 41662 B12R1.121 CCC1COCCC1NCCO 076a92976bb66a5a52df5b1967dd906d [0,2,0,1,0,0|0,0,0]=3 41663 B12R1.121 CCC1COCCC1NCCS eeb81a67041be646a4202944e0acf6e7 [0,2,0,1,0,0|0,0,0]=3 41664 B12R1.121 CCC1COCCC1NCOC e9d6315aed8f6d1edc1663091393cfaa [0,2,0,1,0,0|0,0,0]=3 41665 B12R1.121 CCC1COCCC1NCSC ba2b6d495d9199fd5abfd58694ff47ee [0,2,0,1,0,0|0,0,0]=3 41666 B12R1.121 CCC1COCCN1CCC#N a7c11bdec63239ccdde2271e7e130eb9 [0,2,0,1,0,0|0,0,1]=4 41667 B12R1.121 CCC1COCCN1CCC=O 0e283a6b973616d71f544b48c729adad [0,2,0,1,0,0|0,0,1]=4 41668 B12R1.121 CCC1COCCN1CCCF 64245bd632d7a72be605b935ae047063 [0,2,0,1,0,0|0,0,0]=3 41669 B12R1.121 CCC1COCCN1CCCO 84839c24e6583bd45892f2b62f028cb2 [0,2,0,1,0,0|0,0,0]=3 41670 B12R1.121 CCC1COCCN1CCCS bb1761f80e5f07c6581a34c358ed5fa0 [0,2,0,1,0,0|0,0,0]=3 41671 B12R1.121 CCC1COCCN1CCOC 347bd7dc5e50d57a6f74db5d85a4bc70 [0,2,0,1,0,0|0,0,0]=3 41672 B12R1.121 CCC1COCCN1CCSC 941e76e558ca6bc83680e31e9a5c1974 [0,2,0,1,0,0|0,0,0]=3 41673 B12R1.121 CCCCN1CCCCC1C#N c11f40d51620c088ffecbf099afa019c [0,2,0,1,0,0|1,0,0]=4 41674 B12R1.121 CCCCN1CCCCC1C=O 736dccafa23c0a82f2e2e6b3de2b7fe4 [0,2,0,1,0,0|1,0,0]=4 41675 B12R1.121 CCCCN1CCCCC1CC 865033f2f539c153b3dd48ecef246401 [0,2,0,1,0,0|1,0,0]=4 41676 B12R1.121 CCCCN1CCCCC1CO 9ce79bb596702edec2ce433d30665da5 [0,2,0,1,0,0|1,0,0]=4 41677 B12R1.121 CCCCN1CCCC[C@@H]1C#N 5044dbe4dd24a8b88ea4654976b5b5fc [0,2,0,1,0,0|1,0,0]=4 41678 B12R1.121 CCCCN1CCCC[C@@H]1CC 4eec18d73895a5bbd764fb53be059390 [0,2,0,1,0,0|1,0,0]=4 41679 B12R1.121 CCCCN1CCCC[C@@H]1CO fb70076e47f33252bd67f80aa4d0af48 [0,2,0,1,0,0|1,0,0]=4 41680 B12R1.121 CCCCN1CCCC[C@H]1C#N 7397345db8f324e812f3338e5645ec6c [0,2,0,1,0,0|1,0,0]=4 41681 B12R1.121 CCCCN1CCCC[C@H]1CC 95aabdfa64b8d04c40d7143e384759a4 [0,2,0,1,0,0|1,0,0]=4 41682 B12R1.121 CCCCN1CCCC[C@H]1CO 1a1ddb6c5de5a2e32a42bdbc1d1e6411 [0,2,0,1,0,0|1,0,0]=4 41683 B12R1.121 CCCCN1CCOCC1CC 2978d768c1940b3f4cb52453cc2ca5a5 [0,2,0,1,0,0|0,0,0]=3 41684 B12R1.121 CCCCN1CCOCC1CO 0c49d92e128f9c3b30b56810c7513335 [0,2,0,1,0,0|1,0,0]=4 41685 B12R1.121 CCCCN1CCOC[C@@H]1CC c8d79fd13ea147fa6baad49b0ef49b0b [0,2,0,1,0,0|0,0,0]=3 41686 B12R1.121 CCCCN1CCOC[C@@H]1CO bbac5c75925a2756a4a6223f097ef27b [0,2,0,1,0,0|1,0,0]=4 41687 B12R1.121 CCCCN1CCOC[C@H]1CC 61c8b297c9e48e044b514ff82e0aafbb [0,2,0,1,0,0|0,0,0]=3 41688 B12R1.121 CCCCN1CCOC[C@H]1CO 8bb4b29530a68512f5383507317fe6d2 [0,2,0,1,0,0|1,0,0]=4 41689 B12R1.121 CCCNC1CCCCC1OC 8fcef4194736c8cd3f10bab28b688615 [0,2,0,1,0,0|1,0,0]=4 41690 B12R1.121 CCCNC1CCOCC1CC e3d229748d9686be871fc0b3ab3c7b9f [0,2,0,1,0,0|0,0,0]=3 41691 B12R1.121 CCCNC1CCOCC1CO c2e309b549872636ac0366b1aceb2e98 [0,2,0,1,0,0|1,0,0]=4 41692 B12R1.121 CCCN[C@@H]1CCCC[C@@H]1CO 1dcb60b263f2c8a83026b48311476e15 [0,2,0,1,0,0|1,0,0]=4 41693 B12R1.121 CCCN[C@@H]1CCCC[C@H]1CO 991f62d788fa2fcea01bc0fd1805ba94 [0,2,0,1,0,0|1,0,0]=4 41694 B12R1.121 CCCN[C@@H]1CCOC[C@@H]1CO d32b7fba8a48d87e762d9b34a074a603 [0,2,0,1,0,0|1,0,0]=4 41695 B12R1.121 CCCN[C@@H]1CCOC[C@@H]1OC 897f2e7f6066a755e38f0544ba3d083b [0,2,0,1,0,0|1,0,0]=4 41696 B12R1.121 CCCN[C@@H]1CCOC[C@H]1OC ca2075f37883509a977e5b6935aace4f [0,2,0,1,0,0|1,0,0]=4 41697 B12R1.121 CCCN[C@H]1CCCC[C@@H]1OC 5c4ea06a985c5862d9aaf4e4417360ff [0,2,0,1,0,0|1,0,0]=4 41698 B12R1.121 CCCN[C@H]1CCCC[C@H]1CO a81f5843daed1838e571dcf264b26fd6 [0,2,0,1,0,0|1,0,0]=4 41699 B12R1.121 CCCN[C@H]1CCOC[C@@H]1OC 7ac28e873f9922515a7d7382f280f5df [0,2,0,1,0,0|1,0,0]=4 41700 B12R1.121 CCCN[C@H]1CCOC[C@H]1OC 664177152e6fa7b3b98b06af697d5431 [0,2,0,1,0,0|1,0,0]=4 41701 B12R1.121 CCCOC1CCCCC1CC 3e79f6dff69955cbdd8c592c27f3d258 [0,2,0,1,0,0|1,0,0]=4 41702 B12R1.121 CCCOC1CCCCC1OC f1d63d3632c6cda0e56b92cc050124e4 [0,2,0,1,0,0|1,0,0]=4 41703 B12R1.121 CCCO[C@@H]1CCCC[C@H]1SC 7b0cdf7f50f9b3a4cf9f096f85e6a36c [0,2,0,1,0,0|1,0,0]=4 41704 B12R1.121 CCN1CCCCC1CCCO df045224348ce7cdca8e36ca522614a8 [0,2,0,1,0,0|1,0,0]=4 41705 B12R1.121 CCN1CCCCC1CCOC e3a56491e32c53fe1d48ad0d4eebd118 [0,2,0,1,0,0|1,0,0]=4 41706 B12R1.121 CCNCC1CCCCN1CC 6dcaf2bfdcfe612016fac793db2d237d [0,2,0,1,0,0|1,0,0]=4 41707 B12R1.121 CCOCC1CCCCC1OC 47df609b9c8d8123c24d5cf19fab40ee [0,2,0,1,0,0|1,0,0]=4 41708 B12R1.121 CCOCC1CCCCN1CC b891f7a81ad84491879a99d638207777 [0,2,0,1,0,0|1,0,0]=4 41709 B12R1.121 CCOCN1CCCCC1CC f253cf30042719931163e0b3678a92ad [0,2,0,1,0,0|1,0,0]=4 41710 B12R1.121 CCOCN1CCCC[C@@H]1CC 2f7c913e37743904c7650f8e11c56ca0 [0,2,0,1,0,0|1,0,0]=4 41711 B12R1.121 CCOCN1CCCC[C@H]1CC e6c582d81d54bf441070a2e23fe92a92 [0,2,0,1,0,0|1,0,0]=4 41712 B12R1.121 CCOCN1CCOCC1CC 8b8040ca9720093450fa737bbea22955 [0,2,0,1,0,0|0,0,0]=3 41713 B12R1.121 CCOCN1CCOCC1CO 9e96987c9b2cb2139424d26b301f8273 [0,2,0,1,0,0|1,0,0]=4 41714 B12R1.121 CCOCN1CCOC[C@@H]1CC 0f07e83b19f09fef2b95cffcc476d6d1 [0,2,0,1,0,0|0,0,0]=3 41715 B12R1.121 CCOCN1CCOC[C@@H]1CO e0f5572921b4e2121f9af1622177faeb [0,2,0,1,0,0|1,0,0]=4 41716 B12R1.121 CCOCN1CCOC[C@H]1CC beb839853a0028936edf201c0f2f2b20 [0,2,0,1,0,0|0,0,0]=3 41717 B12R1.121 CCOCN1CCOC[C@H]1CO c7b5a1ff1cabf41511eb06c50ae71704 [0,2,0,1,0,0|1,0,0]=4 41718 B12R1.121 CC[C@@H]1CCCCN1CCCF 34cbd69cdf5277d1cd01dbb96e5e6bbc [0,2,0,1,0,0|1,0,0]=4 41719 B12R1.121 CC[C@@H]1CCCCN1CCCO 521011d77163028a5914e3e3e1a81639 [0,2,0,1,0,0|1,0,0]=4 41720 B12R1.121 CC[C@@H]1CCCCN1CCCS 6c1d0086a5a7dd4ae30a5107f328fe9d [0,2,0,1,0,0|1,0,0]=4 41721 B12R1.121 CC[C@@H]1CCCCN1CCOC f935854b97a5a53cf8d7d34134e3a8f5 [0,2,0,1,0,0|1,0,0]=4 41722 B12R1.121 CC[C@@H]1CCCCN1CCSC e7e8f3fbb4a45a1f915856aaa96ad488 [0,2,0,1,0,0|1,0,0]=4 41723 B12R1.121 CC[C@@H]1COCCN1CCC#N b348e22f7825d1c5c44e5421c12d6b25 [0,2,0,1,0,0|0,0,1]=4 41724 B12R1.121 CC[C@@H]1COCCN1CCC=O 10657d81a87567619c5017fdeec1d73a [0,2,0,1,0,0|0,0,1]=4 41725 B12R1.121 CC[C@@H]1COCCN1CCCF e9cdb238b09e30396129e1ff1d1ff677 [0,2,0,1,0,0|0,0,0]=3 41726 B12R1.121 CC[C@@H]1COCCN1CCCO 702349cddd76c939c06f290a08abdd9c [0,2,0,1,0,0|0,0,0]=3 41727 B12R1.121 CC[C@@H]1COCCN1CCCS 6f5f6a5e395ca9aee5a7792c0ca4d659 [0,2,0,1,0,0|0,0,0]=3 41728 B12R1.121 CC[C@@H]1COCCN1CCOC 46c02c2b259299b3c914dad5bd76bcd3 [0,2,0,1,0,0|0,0,0]=3 41729 B12R1.121 CC[C@@H]1COCCN1CCSC a4c955a48fcd95df3f4905df24928909 [0,2,0,1,0,0|0,0,0]=3 41730 B12R1.121 CC[C@H]1CCCCN1CCCF cdd333e4ce2cbb15b6dd3842120e0b69 [0,2,0,1,0,0|1,0,0]=4 41731 B12R1.121 CC[C@H]1CCCCN1CCCO ee50f440d770fb57aba09eaea7748d5c [0,2,0,1,0,0|1,0,0]=4 41732 B12R1.121 CC[C@H]1CCCCN1CCCS 9edfe05d7ddf762f59df31c8e2462720 [0,2,0,1,0,0|1,0,0]=4 41733 B12R1.121 CC[C@H]1CCCCN1CCOC 2a8fbe0f48710ef5a681d7d3009a87a0 [0,2,0,1,0,0|1,0,0]=4 41734 B12R1.121 CC[C@H]1CCCCN1CCSC a6b46d310f8ef86cad2b1c7cd8a290d2 [0,2,0,1,0,0|1,0,0]=4 41735 B12R1.121 CC[C@H]1COCCN1CCC#N b5ea7c8b04cf9fdcc4d517e7929ffe2e [0,2,0,1,0,0|0,0,1]=4 41736 B12R1.121 CC[C@H]1COCCN1CCC=O 682c577d4b428678a7c72a45ddb34e53 [0,2,0,1,0,0|0,0,1]=4 41737 B12R1.121 CC[C@H]1COCCN1CCCF 58b74539d479ec29e5388acd1dee29eb [0,2,0,1,0,0|0,0,0]=3 41738 B12R1.121 CC[C@H]1COCCN1CCCO bfb12c38bfe9cd5f0f06570f21f51341 [0,2,0,1,0,0|0,0,0]=3 41739 B12R1.121 CC[C@H]1COCCN1CCCS 2dd37147d735920514d4261c4d54d764 [0,2,0,1,0,0|0,0,0]=3 41740 B12R1.121 CC[C@H]1COCCN1CCOC ce74d6b41d0de673294d87c0749dfa39 [0,2,0,1,0,0|0,0,0]=3 41741 B12R1.121 CC[C@H]1COCCN1CCSC a2e36eb41bc58151515245a54eb02ccd [0,2,0,1,0,0|0,0,0]=3 41742 B12R1.121 COCCN1CCOCC1CO 1db6a854cda75bbda9841095da3b0772 [0,2,0,1,0,0|1,0,0]=4 41743 B12R1.121 COCCN1CCOC[C@@H]1CO e7eb875d372f96c96e4b1c265d7db995 [0,2,0,1,0,0|1,0,0]=4 41744 B12R1.121 COCCN1CCOC[C@H]1CO c96819eec1e0f79d7148849849a70b14 [0,2,0,1,0,0|1,0,0]=4 41745 B12R1.121 COCNC1CCOCC1CO 113f96f80131fc214adc62fea0cb7818 [0,2,0,1,0,0|1,0,0]=4 41746 B12R1.121 COCN[C@@H]1CCOC[C@@H]1CO c3aeed6a845ece86ea89d7839e525deb [0,2,0,1,0,0|1,0,0]=4 41747 B12R1.121 COCN[C@@H]1CCOC[C@@H]1OC 358fe73108ba2e8720b3570f1cc491b7 [0,2,0,1,0,0|1,0,0]=4 41748 B12R1.121 COCN[C@@H]1CCOC[C@H]1OC e6b232defddf51f1504a7eef6306cfb0 [0,2,0,1,0,0|1,0,0]=4 41749 B12R1.121 COCN[C@H]1CCOC[C@@H]1OC 6a46b26a63899da723e255402841d0f3 [0,2,0,1,0,0|1,0,0]=4 41750 B12R1.121 COCN[C@H]1CCOC[C@H]1OC 1adb165f7c192d58a8530bd018d42493 [0,2,0,1,0,0|1,0,0]=4 41751 B12R1.121 CO[C@@H]1COCC[C@@H]1NCCF 81f1bd670bcb292ecb58f52eaa21d0b6 [0,2,0,1,0,0|1,0,0]=4 41752 B12R1.121 CO[C@@H]1COCC[C@@H]1NCCO 4aebd49c2fb3884520f78404afd11275 [0,2,0,1,0,0|1,0,0]=4 41753 B12R1.121 CO[C@@H]1COCC[C@@H]1NCCS a768e9f022951daec611a907d2a9a2d6 [0,2,0,1,0,0|1,0,0]=4 41754 B12R1.121 CO[C@@H]1COCC[C@@H]1NCSC be20f9a52e384c182f6647fd31c593d1 [0,2,0,1,0,0|1,0,0]=4 41755 B12R1.121 CO[C@@H]1COCC[C@H]1NCCF 53ee6b7f749e032e7ff07e1e24bdb4a8 [0,2,0,1,0,0|1,0,0]=4 41756 B12R1.121 CO[C@@H]1COCC[C@H]1NCCO c46c4aefd4ac14be69d8c767235ebe9c [0,2,0,1,0,0|1,0,0]=4 41757 B12R1.121 CO[C@@H]1COCC[C@H]1NCCS 217c6a06920c14befc1fdb23790f7baa [0,2,0,1,0,0|1,0,0]=4 41758 B12R1.121 CO[C@@H]1COCC[C@H]1NCSC 0e9e5118de39a2a98e3823020990aef0 [0,2,0,1,0,0|1,0,0]=4 41759 B12R1.121 CO[C@H]1COCC[C@@H]1NCCF 570536a9f77eb377222efff789164813 [0,2,0,1,0,0|1,0,0]=4 41760 B12R1.121 CO[C@H]1COCC[C@@H]1NCCO 3c544af13b81993a863741a0d40c5f13 [0,2,0,1,0,0|1,0,0]=4 41761 B12R1.121 CO[C@H]1COCC[C@@H]1NCCS e3a9ac44d1cf4297a02333b4a1c54341 [0,2,0,1,0,0|1,0,0]=4 41762 B12R1.121 CO[C@H]1COCC[C@@H]1NCSC fc192c56bec121379e6d3e3be9ad7a8f [0,2,0,1,0,0|1,0,0]=4 41763 B12R1.121 CO[C@H]1COCC[C@H]1NCCF a4f2352f036ebc2435354699d05f6909 [0,2,0,1,0,0|1,0,0]=4 41764 B12R1.121 CO[C@H]1COCC[C@H]1NCCO f9226ebdb1a9f66d6bd140873095a2b2 [0,2,0,1,0,0|1,0,0]=4 41765 B12R1.121 CO[C@H]1COCC[C@H]1NCCS b94c19092053ce7f63a4442c5931d4a4 [0,2,0,1,0,0|1,0,0]=4 41766 B12R1.121 CO[C@H]1COCC[C@H]1NCSC a77bdf41c202a194951cabaf0539d838 [0,2,0,1,0,0|1,0,0]=4 41767 B12R1.121 CSCCN1CCOCC1CO 4c09bc6120217bef63d06b944d13306a [0,2,0,1,0,0|1,0,0]=4 41768 B12R1.121 CSCCN1CCOC[C@@H]1CO 5f049d175a9f30d728de5bc7d340d6a2 [0,2,0,1,0,0|1,0,0]=4 41769 B12R1.121 CSCCN1CCOC[C@H]1CO 5cb082a07dd72568c6f7001353fe5504 [0,2,0,1,0,0|1,0,0]=4 41770 B12R1.121 CSCNC1CCOCC1CO aaf7dd9e6e6b18f4a2cd2a5113994f80 [0,2,0,1,0,0|1,0,0]=4 41771 B12R1.121 CSCN[C@@H]1CCOC[C@@H]1CO 178dced7d684140e75a84bfe4567b282 [0,2,0,1,0,0|1,0,0]=4 41772 B12R1.121 OCC1COCCC1NCCF a3e9d15c972a1901b2aa58685be458b0 [0,2,0,1,0,0|1,0,0]=4 41773 B12R1.121 OCC1COCCC1NCCS 3a682442aae13b1398afba82aea67074 [0,2,0,1,0,0|1,0,0]=4 41774 B12R1.121 OCC1COCCN1CCCF c44a2bf6c47d3905025718378a27f66f [0,2,0,1,0,0|1,0,0]=4 41775 B12R1.121 OCC1COCCN1CCCS 8dad883db3b2e7c0cd474c54572dd0be [0,2,0,1,0,0|1,0,0]=4 41776 B12R1.121 OCCCN1CCOCC1CO a8a8bb1ae95558f0288251d2d5702f83 [0,2,0,1,0,0|1,0,0]=4 41777 B12R1.121 OCCCN1CCOC[C@@H]1CO 3f36de0ebf97498bff71dbec3241dd82 [0,2,0,1,0,0|1,0,0]=4 41778 B12R1.121 OCCCN1CCOC[C@H]1CO d6f03146a99227442df41ad195efc2b5 [0,2,0,1,0,0|1,0,0]=4 41779 B12R1.121 OCCNC1CCOCC1CO e5903e6048c371098a99848676a0b8d8 [0,2,0,1,0,0|1,0,0]=4 41780 B12R1.121 OCCN[C@@H]1CCOC[C@@H]1CO f44f738c351b1836f50d04f3adf78b04 [0,2,0,1,0,0|1,0,0]=4 41781 B12R1.121 OC[C@@H]1COCCN1CCCF 8c83bf63c6354fba90df152865c2c925 [0,2,0,1,0,0|1,0,0]=4 41782 B12R1.121 OC[C@@H]1COCCN1CCCS 3681b30bd528dd79e17df3bb4993ed31 [0,2,0,1,0,0|1,0,0]=4 41783 B12R1.121 OC[C@H]1COCCN1CCCF d9591e11bb8c475271ee15093bd567d7 [0,2,0,1,0,0|1,0,0]=4 41784 B12R1.121 OC[C@H]1COCCN1CCCS 9ceaf4230400fbb656df7cf440d2d68b [0,2,0,1,0,0|1,0,0]=4 41785 B12R1.121 OC[C@H]1COCC[C@H]1NCCF 3021818a1437f94eb70f38803d182dd2 [0,2,0,1,0,0|1,0,0]=4 41786 B12R1.121 OC[C@H]1COCC[C@H]1NCCS e036c94c93ccadc719babb58c10132c3 [0,2,0,1,0,0|1,0,0]=4 41787 B12R1.169 C#CCN1CCOCC1CCC 26a3454e83e0cc61f9f93983234a5e9e [0,2,0,1,0,0|0,0,1]=4 41788 B12R1.169 C=CCN1CCOCC1CCC adb75fa7cfc7c4d5dfc7a39701c9e66c [0,2,0,1,0,0|0,0,1]=4 41789 B12R1.169 CCCC1CCCCC1OCC 3a019d1364554efae6c28ec1fd2953e3 [0,2,0,1,0,0|1,0,0]=4 41790 B12R1.169 CCCC1CCCCC1OCF e120d3cfc72e2375c18d9fc368c877b4 [0,2,0,1,0,0|1,0,0]=4 41791 B12R1.169 CCCC1COCCN1CC#N bf3d2bf5f752e45b831e35b05a1ae73e [0,2,0,1,0,0|0,0,1]=4 41792 B12R1.169 CCCC1COCCN1CC=O b49764600c12bc286eea65db8d092abc [0,2,0,1,0,0|0,0,1]=4 41793 B12R1.169 CCCC1COCCN1CCC 50338289b9a48390040ffa4aeace06ef [0,2,0,1,0,0|0,0,0]=3 41794 B12R1.169 CCCC1COCCN1CCF 4ca648d000b33212ad27d7c7c6156f8a [0,2,0,1,0,0|0,0,0]=3 41795 B12R1.169 CCCC1COCCN1CCO 962c30ab7f63d7804d67d41a42bb54be [0,2,0,1,0,0|0,0,0]=3 41796 B12R1.169 CCCC1COCCN1CCS 70408dddacef8c6a5b1930b654527091 [0,2,0,1,0,0|0,0,0]=3 41797 B12R1.169 CCCC1COCCN1COC 54db313158c0906f30b935443575fffd [0,2,0,1,0,0|0,0,0]=3 41798 B12R1.169 CCCC1COCCN1CSC 9b857754862b2d386b844c7dcfcc3820 [0,2,0,1,0,0|0,0,0]=3 41799 B12R1.169 CCCN1CCCCC1CCCl 17167a3b9c88599022a9210d96aa306d [0,2,0,1,0,0|1,0,0]=4 41800 B12R1.169 CCCN1CCCCC1CCO faad90df3a7ab3022b1023e2efb123e0 [0,2,0,1,0,0|1,0,0]=4 41801 B12R1.169 CCCN1CCCCC1COC ede4d4c6c02de99e9a0217dc087601b4 [0,2,0,1,0,0|1,0,0]=4 41802 B12R1.169 CCCN1CCCC[C@@H]1CCO 8adedee799e06c940ab3576b7f012f5b [0,2,0,1,0,0|1,0,0]=4 41803 B12R1.169 CCCN1CCCC[C@H]1CCO d7f2363a4338c1e2102c82296f15aa6f [0,2,0,1,0,0|1,0,0]=4 41804 B12R1.169 CCCN1CCOC[C@@H]1COC 703969ddc149a2af71b46dab71fdb3f4 [0,2,0,1,0,0|0,0,0]=3 41805 B12R1.169 CCCN1CCOC[C@H]1COC 798ad70d7c080db587369f5f230a1611 [0,2,0,1,0,0|0,0,0]=3 41806 B12R1.169 COC[C@@H]1COCCN1CCF c65b1cb7e8dac738eb0a6117b02b2f96 [0,2,0,1,0,0|1,0,0]=4 41807 B12R1.169 COC[C@@H]1COCCN1CCO b19b42cd8afbd0f3d77356fcd90e5f8c [0,2,0,1,0,0|1,0,0]=4 41808 B12R1.169 COC[C@@H]1COCCN1CCS 009c40de8336db380eadfa2905f7048e [0,2,0,1,0,0|1,0,0]=4 41809 B12R1.169 COC[C@@H]1COCCN1COC 42f399cba46585d8b9743b91fa60b8fa [0,2,0,1,0,0|1,0,0]=4 41810 B12R1.169 COC[C@@H]1COCCN1CSC f215cbd89c60eb678a704968a19593a9 [0,2,0,1,0,0|1,0,0]=4 41811 B12R1.169 COC[C@H]1COCCN1CCF 96c3cc434c64d33c1807cc0cc55c0902 [0,2,0,1,0,0|1,0,0]=4 41812 B12R1.169 COC[C@H]1COCCN1CCO 46685540e9d9688e7e5fdf6d082afcca [0,2,0,1,0,0|1,0,0]=4 41813 B12R1.169 COC[C@H]1COCCN1CCS 0609dc9793f5ad9b2f641e09ad131950 [0,2,0,1,0,0|1,0,0]=4 41814 B12R1.169 COC[C@H]1COCCN1COC 22b3118c3e4e94e465f2cc516f8553b0 [0,2,0,1,0,0|1,0,0]=4 41815 B12R1.169 COC[C@H]1COCCN1CSC 741a836437bb2e19a12dc2b26052fe46 [0,2,0,1,0,0|1,0,0]=4 41816 B12R1.281 CCCN1CCCCCC1CO 79fc52d7728b3860f7fddfd4955fbd19 [0,2,0,1,0,0|1,0,0]=4 41817 B12R1.281 CCCN1CCCOCC1CO 8a3870cf8468e50c9c3901c5f74838a6 [0,2,0,1,0,0|1,0,0]=4 41818 B12R1.281 CCCN1CCCOC[C@@H]1CO ed683b719fc91a93db856fcea2ad7926 [0,2,0,1,0,0|1,0,0]=4 41819 B12R1.281 CCCN1CCCOC[C@H]1CO 194680adf8224ec70b2285ea08a888d2 [0,2,0,1,0,0|1,0,0]=4 41820 B12R1.281 COCN1CCCOCC1CO 53fc98ac848d80fccdb67015abac1324 [0,2,0,1,0,0|1,0,0]=4 41821 B12R1.281 COCN1CCCOC[C@@H]1CO b395e30ac766acfb7be88261fdcf54aa [0,2,0,1,0,0|1,0,0]=4 41822 B12R1.281 COCN1CCCOC[C@H]1CO 872f45d4314116d91f6bbe9a03c3ee90 [0,2,0,1,0,0|1,0,0]=4 41823 B12R1.281 CSCN1CCCOCC1CO c6a9ec8bbe85328be76ad55132cc85a5 [0,2,0,1,0,0|1,0,0]=4 41824 B12R1.281 CSCN1CCCOC[C@@H]1CO 022c4b445837681d33e1edbb80ee279c [0,2,0,1,0,0|1,0,0]=4 41825 B12R1.281 CSCN1CCCOC[C@H]1CO f73bdf9a6f5fba52cbf71692a5c5f891 [0,2,0,1,0,0|1,0,0]=4 41826 B12R1.281 OCC1COCCCN1CCF 39b1b7d1206fa1c27f88d7c896f8a6fb [0,2,0,1,0,0|1,0,0]=4 41827 B12R1.281 OCC1COCCCN1CCS 5e389293a85a3c8ed808522156757cd3 [0,2,0,1,0,0|1,0,0]=4 41828 B12R1.281 OCCN1CCCOCC1CO 62871df00cbcc14d95c18309081cdc51 [0,2,0,1,0,0|1,0,0]=4 41829 B12R1.281 OCCN1CCCOC[C@@H]1CO b6e7583dba6a1a5fbce0cd1bb5f565fe [0,2,0,1,0,0|1,0,0]=4 41830 B12R1.281 OCCN1CCCOC[C@H]1CO df6ee9155ca25c1f7b1df8e4bed58f53 [0,2,0,1,0,0|1,0,0]=4 41831 B12R1.281 OC[C@@H]1COCCCN1CCF 4c20220a7704c3dcdca5ade44153a853 [0,2,0,1,0,0|1,0,0]=4 41832 B12R1.281 OC[C@@H]1COCCCN1CCS d3e31c46c227f9dea7f9852c223fb94b [0,2,0,1,0,0|1,0,0]=4 41833 B12R1.281 OC[C@H]1COCCCN1CCF 641faffcd6e234ce85eba17b0f500cc9 [0,2,0,1,0,0|1,0,0]=4 41834 B12R1.281 OC[C@H]1COCCCN1CCS da766f21228fc7c2635b729c286f6605 [0,2,0,1,0,0|1,0,0]=4 41835 B12R1.320 CCCC1SCCN1CCCF 68dffcdbffdbae1b543f6829b96b8b05 [0,2,0,1,0,0|0,1,0]=4 41836 B12R1.320 CCCC1SCCN1CCCO 1c871c4689be42dfe04c8092dce50dbd [0,2,0,1,0,0|0,1,0]=4 41837 B12R1.320 CCCC1SCCN1CCCS be81be6df9e015daadc9cf3c815db651 [0,2,0,1,0,0|0,1,0]=4 41838 B12R1.320 CCCC1SCCN1CCOC 9d2a6bd26f59ee90b77f8416200c2239 [0,2,0,1,0,0|0,1,0]=4 41839 B12R1.320 CCCC1SCCN1CCSC 8a63689faf43f47cfa8bcf86422761c8 [0,2,0,1,0,0|0,1,0]=4 41840 B12R1.320 CCCC1SCCN1COCC ff5e3c9b1477b4f7ad332e72959d98fc [0,2,0,1,0,0|0,1,0]=4 41841 B12R1.320 CCCCC1CCCC1NCC 0ce98edd89a206f3bb2a11291e2c2050 [0,2,0,1,0,0|1,0,0]=4 41842 B12R1.320 CCCCC1CCCC1NCF 9af963a176d5d0d69b7e0e47a41a1bbc [0,2,0,1,0,0|1,0,0]=4 41843 B12R1.320 CCCCC1CCCC1NCO 238a40d81b25f00ad98d7c6c18fea777 [0,2,0,1,0,0|1,0,0]=4 41844 B12R1.320 CCCCC1CCCN1CCC b5a2b6294e0043e42780d2363eb74ea3 [0,2,0,1,0,0|1,0,0]=4 41845 B12R1.320 CCCCC1CCCN1CCF 88baf184bb7765b23c1d4cf8f2e56a93 [0,2,0,1,0,0|1,0,0]=4 41846 B12R1.320 CCCCC1CCCN1CCO dfba3b86488c6d7c0d4e6bba54ce5122 [0,2,0,1,0,0|1,0,0]=4 41847 B12R1.320 CCCCC1CCCN1CCS f16f5742bd20fd5aa87cd98d7ad2fb08 [0,2,0,1,0,0|1,0,0]=4 41848 B12R1.320 CCCCC1CCCN1COC 2f1127eaa9a8696d387f16bf3a0fce20 [0,2,0,1,0,0|1,0,0]=4 41849 B12R1.320 CCCCC1CCCN1CSC 2234021b5f1c7d8981d5fbdce05c6fe4 [0,2,0,1,0,0|1,0,0]=4 41850 B12R1.320 CCCCN1CC=CC1CCC 84b34197d0bb62bf704cbb19f649b757 [0,2,0,1,0,0|1,0,0]=4 41851 B12R1.320 CCCCN1CCCC1CCO d38c83ab506ad66b8d54e8685de9509d [0,2,0,1,0,0|1,0,0]=4 41852 B12R1.320 CCCCN1CCCC1COC ee1b596e0de2b77761c93843fb447b5b [0,2,0,1,0,0|1,0,0]=4 41853 B12R1.320 CCCCN1CCCC1CSC 8ee2787103be41b8f30458fd2ad0b621 [0,2,0,1,0,0|1,0,0]=4 41854 B12R1.320 CCCCN1CCC[C@@H]1CCO bd78e713511e144336c30b555929ce05 [0,2,0,1,0,0|1,0,0]=4 41855 B12R1.320 CCCCN1CCC[C@@H]1COC 551b654e835ffc350e23604ec5bed9c2 [0,2,0,1,0,0|1,0,0]=4 41856 B12R1.320 CCCCN1CCC[C@H]1COC 4baa4275a91f4bbfd69e667347482577 [0,2,0,1,0,0|1,0,0]=4 41857 B12R1.320 CCCCN1CCSC1CCC 47e6a059356986c1cc8d0aaa6a170d71 [0,2,0,1,0,0|0,1,0]=4 41858 B12R1.320 CCCN1CCCC1CCOC dbf96737b9ff5bccffd24ea50ff8546d [0,2,0,1,0,0|1,0,0]=4 41859 B12R1.320 CCCN1CCCC1COCC 1dde50c2385fd0ea198e57d9aa73f816 [0,2,0,1,0,0|1,0,0]=4 41860 B12R1.320 CCCN1CCC[C@H]1COCC ead07f344ee73c741ce3bdf54572eb74 [0,2,0,1,0,0|1,0,0]=4 41861 B12R1.320 CCCN[C@@H]1CCC[C@@H]1COC 94393006808c1b36505c2a58145506b9 [0,2,0,1,0,0|1,0,0]=4 41862 B12R1.320 CCCN[C@H]1CCC[C@H]1COC 680f5c3f6245702647c8e7bd54c7752f [0,2,0,1,0,0|1,0,0]=4 41863 B12R1.1414 BrCCNCC1CCCCCC1 035bac2c33a58dadac98eb4a8bc559a5 [0,2,0,1,0,0|1,0,0]=4 41864 B12R1.1414 BrCCNCC1COCCOC1 78566c48e2bfd2228cc71215725bc312 [0,2,0,1,0,0|1,0,0]=4 41865 B12R1.1414 CCCCCN1CCCCCC1 cb4a9c9b5b979008ed0ddf3a62a880af [0,2,0,1,0,0|1,0,0]=4 41866 B12R1.1414 CCCCCN1CCCOCC1 d042c2d97fa57915bd4dbaa9f92d3456 [0,2,0,1,0,0|1,0,0]=4 41867 B12R1.1414 CCCCNC1CCC=CCC1 82ba0a96517acc657003bb802a373e14 [0,2,0,1,0,0|1,0,0]=4 41868 B12R1.1414 CCCCNC1CCCCCC1 490a1dabf31ba85907ce90482b375336 [0,2,0,1,0,0|1,0,0]=4 41869 B12R1.1414 CCCCNC1CCCOCC1 3a8f5f4004c04e51b96cc1321cb15687 [0,2,0,1,0,0|1,0,0]=4 41870 B12R1.1414 CCCCOC1CCCCCC1 5c8aadcdbf47305cb92fab1b84769143 [0,2,0,1,0,0|0,0,0]=3 41871 B12R1.1414 CCCCOC1CCCOCC1 6cfd0f7e74dc237e9e0ebd8cb2bb22ca [0,2,0,1,0,0|0,0,0]=3 41872 B12R1.1414 CCCCOC1COCCOC1 38b0abafc4d81f747a927fdaf29461b3 [0,2,0,1,0,0|0,0,0]=3 41873 B12R1.1414 CCCNCC1CCCCCC1 300f0c4afef8a66764f729d372f87d7a [0,2,0,1,0,0|1,0,0]=4 41874 B12R1.1414 CCCNCC1COCCOC1 83ca78e6153c5b712ce244df61a21e61 [0,2,0,1,0,0|1,0,0]=4 41875 B12R1.1414 CCCOCC1CCCCCC1 e708c2278ab01ea505612279d70b59d3 [0,2,0,1,0,0|1,0,0]=4 41876 B12R1.1414 CCCOCC1COCCOC1 fb9026374a6ca0683f9a2fa34180d4ac [0,2,0,1,0,0|1,0,0]=4 41877 B12R1.1414 CCNCCC1CCCCCC1 37a5520e2ffd0e4b4ec3d4b50ea917c0 [0,2,0,1,0,0|1,0,0]=4 41878 B12R1.1414 CCNCCN1CCCCCC1 319bebd4c1703913b16fbdb54adee85b [0,2,0,1,0,0|1,0,0]=4 41879 B12R1.1414 CCOCCN1CCCCCC1 8ea822a119a70dd23e7365215c5736c5 [0,2,0,1,0,0|1,0,0]=4 41880 B12R1.1414 CCOCCN1CCCOCC1 24430b53d0271057b9bf4d7a79f98aeb [0,2,0,1,0,0|1,0,0]=4 41881 B12R1.1414 CCOCNC1CCCCCC1 7e85a9f554f37f9344861e085e05e9bb [0,2,0,1,0,0|1,0,0]=4 41882 B12R1.1414 CCOCOC1CCCCCC1 183e10bafe35ccb66af79844b4af7b2c [0,2,0,1,0,0|1,0,0]=4 41883 B12R1.1414 CCOCOC1CCCOCC1 9d8a9084a9bfa7cfdc5e7b7a6e6bfc39 [0,2,0,1,0,0|1,0,0]=4 41884 B12R1.1414 CCOCOC1COCCOC1 995b3b7c4c13e4f5e2c3307fbf636bf8 [0,2,0,1,0,0|1,0,0]=4 41885 B12R1.1414 CCSCCN1CCCCCC1 6486903c44cfd5ec31ca07cf9eb0b751 [0,2,0,1,0,0|1,0,0]=4 41886 B12R1.1414 CCSCCN1CCCOCC1 217c71d2204620565967ef39965e2d06 [0,2,0,1,0,0|1,0,0]=4 41887 B12R1.1414 COCCCN1CCCCCC1 7a349268e60f038589096e1b4f897fe9 [0,2,0,1,0,0|1,0,0]=4 41888 B12R1.1414 COCCCN1CCCOCC1 693d3ba7e8264c6fe46b14dba520a71b [0,2,0,1,0,0|1,0,0]=4 41889 B12R1.1414 COCCNC1CCCCCC1 c6f2a9a25faaf98aa9c6ccb110566eed [0,2,0,1,0,0|1,0,0]=4 41890 B12R1.1414 COCCOC1CCCCCC1 d288cfc86d24e2bf66a1473135ae3233 [0,2,0,1,0,0|1,0,0]=4 41891 B12R1.1414 COCCOC1CCCOCC1 e8885d14bd0f67357dd8cec4d7d95027 [0,2,0,1,0,0|1,0,0]=4 41892 B12R1.1414 COCCOC1COCCOC1 18a3726075db2857088734f6a506242c [0,2,0,1,0,0|1,0,0]=4 41893 B12R1.1414 COCNCC1CCCCCC1 68b44925864f13c7e5893d174b2e26e0 [0,2,0,1,0,0|1,0,0]=4 41894 B12R1.1414 COCOCC1CCCCCC1 e04da1573da407fe43bc72d36d4fd2e4 [0,2,0,1,0,0|1,0,0]=4 41895 B12R1.1414 COCOCC1COCCOC1 cd2dd9daaa68f899d2071680a5a898c6 [0,2,0,1,0,0|1,0,0]=4 41896 B12R1.1414 CSCCCN1CCCCCC1 99cd8c79ee198695ed37165be6c9c076 [0,2,0,1,0,0|1,0,0]=4 41897 B12R1.1414 CSCCCN1CCCOCC1 7503d81d8f4263c3b65df83d8ef32920 [0,2,0,1,0,0|1,0,0]=4 41898 B12R1.1414 CSCCNC1CCCCCC1 690eea01237668e095f39016123eb9cb [0,2,0,1,0,0|1,0,0]=4 41899 B12R1.1414 CSCCOC1CCCCCC1 a310c205157b55ae90097ef212feec68 [0,2,0,1,0,0|1,0,0]=4 41900 B12R1.1414 CSCCOC1CCCOCC1 64f445a1b1d217fbb522afed0da11632 [0,2,0,1,0,0|1,0,0]=4 41901 B12R1.1414 CSCCOC1COCCOC1 6d62f78e41889eac367a6d83b5d46f4c [0,2,0,1,0,0|1,0,0]=4 41902 B12R1.1414 CSCNCC1CCCCCC1 6a3f8bc78592f3872c966644cb7a2bff [0,2,0,1,0,0|1,0,0]=4 41903 B12R1.1414 CSCOCC1CCCCCC1 dee0223c750ebfd919a5d197423c87a5 [0,2,0,1,0,0|1,0,0]=4 41904 B12R1.1414 CSCOCC1COCCOC1 90764bc0df8f7f3edf449c30149e0b3b [0,2,0,1,0,0|1,0,0]=4 41905 B12R1.1414 ClCCCNC1CCCCCC1 f5c26bfc7c1fdc4d1bedcd9966b9aa2f [0,2,0,1,0,0|1,0,0]=4 41906 B12R1.1414 FCCCCN1CCCCCC1 a250718d088e9097fb426d0fc73021ca [0,2,0,1,0,0|1,0,0]=4 41907 B12R1.1414 FCCCCN1CCCOCC1 f73bd9e6b09f7a6116f5f67b415d3408 [0,2,0,1,0,0|1,0,0]=4 41908 B12R1.1414 FCCCNC1CCCCCC1 588f5a37e1379d4a6c54335a3197f044 [0,2,0,1,0,0|1,0,0]=4 41909 B12R1.1414 FCCCOC1CCCCCC1 68edac04c8009567c89387b678da40c1 [0,2,0,1,0,0|1,0,0]=4 41910 B12R1.1414 FCCCOC1CCCOCC1 42a3ff9d80e9b6dd9d81e1b55cfd464a [0,2,0,1,0,0|1,0,0]=4 41911 B12R1.1414 FCCCOC1COCCOC1 7961314d2bf8d3b6fe017610e3afd95c [0,2,0,1,0,0|1,0,0]=4 41912 B12R1.1414 FCCNCC1CCCCCC1 d0c53e2bd01112decef45f1e75a52cc2 [0,2,0,1,0,0|1,0,0]=4 41913 B12R1.1414 FCCNCC1COCCOC1 8e4a08243605fc7720a89d6d85153ad9 [0,2,0,1,0,0|1,0,0]=4 41914 B12R1.1414 FCCOCC1CCCCCC1 61b705368ae5ecd99de82984d867bfba [0,2,0,1,0,0|1,0,0]=4 41915 B12R1.1414 FCCOCC1COCCOC1 85bd18d449a3bfe9935c0b78a2c32c42 [0,2,0,1,0,0|1,0,0]=4 41916 B12R1.1414 FCNCCC1CCCCCC1 6fb20661c70daf187452216577361b5c [0,2,0,1,0,0|1,0,0]=4 41917 B12R1.1414 ICCNCC1CCCCCC1 87de3efa9ddde933126aaf24b75284d7 [0,2,0,1,0,0|1,0,0]=4 41918 B12R1.1414 ICCNCC1COCCOC1 d04620af35274873256bcbc780593ab1 [0,2,0,1,0,0|1,0,0]=4 41919 B12R1.1414 OCCCCN1CCCCCC1 34f278621dcf24e9ebe0ae2bfc5449d7 [0,2,0,1,0,0|1,0,0]=4 41920 B12R1.1414 OCCCCN1CCCOCC1 aa3754d90a4373d8452d49e85f4b82ed [0,2,0,1,0,0|1,0,0]=4 41921 B12R1.1414 OCCCNC1CCCCCC1 f324a4b70f522829ef6430b035ec4194 [0,2,0,1,0,0|1,0,0]=4 41922 B12R1.1414 OCCNCC1CCCCCC1 b4b9aa7b0fe0de1d4b90c8692600de11 [0,2,0,1,0,0|1,0,0]=4 41923 B12R1.1414 OCCNCC1COCCOC1 0cc65c8f777ef0a5ce856cb063639174 [0,2,0,1,0,0|1,0,0]=4 41924 B12R1.1414 OCNCCC1CCCCCC1 6affc3de58f969710bb3dcb5db299c7e [0,2,0,1,0,0|1,0,0]=4 41925 B12R1.1414 SCCCNC1CCCCCC1 c03134733401ec2636534998fdbb67d9 [0,2,0,1,0,0|1,0,0]=4 41926 B12R1.1414 SCCCOC1CCCCCC1 726f16c640c78e0f4015edd44cf362f3 [0,2,0,1,0,0|1,0,0]=4 41927 B12R1.1414 SCCCOC1CCCOCC1 c9e51393d3b943ce1152c0c99aa376ff [0,2,0,1,0,0|1,0,0]=4 41928 B12R1.1414 SCCCOC1COCCOC1 5e990d4ec1fbf958b51f7e28c20ebb23 [0,2,0,1,0,0|1,0,0]=4 41929 B12R1.1414 SCCNCC1CCCCCC1 83b86c7863c5725cd7e9432ce36073a1 [0,2,0,1,0,0|1,0,0]=4 41930 B12R1.1414 SCCNCC1COCCOC1 e262b2d0393fdad57f41a55092feadd2 [0,2,0,1,0,0|1,0,0]=4 41931 B12R1.1414 SCCOCC1CCCCCC1 972f148d78c7ebd3bc9afc4446ed3753 [0,2,0,1,0,0|1,0,0]=4 41932 B12R1.1414 SCCOCC1COCCOC1 0dbdf59e919048095bda686299540af2 [0,2,0,1,0,0|1,0,0]=4 41933 B12R1.268 CCC1COC(CN1CCF)C 74bd38bdfeb683c26486cd3a8d284831 [0,2,0,1,0,0|1,0,0]=4 41934 B12R1.268 CCC1COC(CN1CCO)C fb66cc4d12400e6218542292aabe91ec [0,2,0,1,0,0|1,0,0]=4 41935 B12R1.268 CCC1COC(CN1CCS)C f7a8a871855ed29f2ef0eae46e4084d0 [0,2,0,1,0,0|1,0,0]=4 41936 B12R1.268 CCC1COC(CN1COC)C 4646e3f419f000a3f6c95403f4404977 [0,2,0,1,0,0|1,0,0]=4 41937 B12R1.268 CCC1COC(CN1CSC)C e1ae157b12416cb1bc80dcc63419adcb [0,2,0,1,0,0|1,0,0]=4 41938 B12R1.268 CCCN1CC(OCC1CC)C 54565d92b1c6935483470ff018fc8c28 [0,2,0,1,0,0|0,0,0]=3 41939 B12R1.483 C=CCCC[C@H](C)OC1CCC1 0d41a9dfb13aa66d3fc5121dcbbdae21 [0,2,0,1,0,0|0,0,1]=4 41940 B12R1.483 CC(CCCCO)NC1CCC1 39c3efc6634cb5bce4bf0a11bfcfab89 [0,2,0,1,0,0|1,0,0]=4 41941 B12R1.483 CCC#CCC(C)OC1CCC1 98598831b47a2a35dad2e7b54a095c12 [0,2,0,1,0,0|0,0,1]=4 41942 B12R1.483 CCCCCC(=O)CN1CCC1 e11a3a2559a2b17e1c53fc752b1e115a [0,2,0,1,0,0|1,0,0]=4 41943 B12R1.483 CCCCCC(=O)NC1CCC1 81192d6990c1d8462b862edca38e4632 [0,2,0,1,0,0|1,0,0]=4 41944 B12R1.483 CCCCCC(C)NC1CCC1 62733a864b92c0943923f23f3e6088de [0,2,0,1,0,0|1,0,0]=4 41945 B12R1.483 CCCCCC(C)OC1CCC1 b0a08a29dba52d1c915843c165646b72 [0,2,0,1,0,0|0,0,0]=3 41946 B12R1.483 CCCCCC(C)OC1COC1 45452aa7dfc5c64b048e64ecc7219fbe [0,2,0,1,0,0|1,0,0]=4 41947 B12R1.483 CCCCCC(C)OC1CSC1 3ef751408285f5437e449a23749130d9 [0,2,0,1,0,0|1,0,0]=4 41948 B12R1.483 CCCCCN(C)CC1CCC1 5c8e49ba31243943d2527ac23fdaa487 [0,2,0,1,0,0|1,0,0]=4 41949 B12R1.483 CCCCCN(C)CC1CCO1 8176ce8cfda7a24d3fa20214e5e37d27 [0,2,0,1,0,0|1,0,0]=4 41950 B12R1.483 CCCCCN(C)CC1COC1 76a10f035993120195d8e623154efd6b [0,2,0,1,0,0|1,0,0]=4 41951 B12R1.483 CCCCCN(C)C[C@@H]1CCO1 e7ab7dba9a60ba3cd814cfd7eb393642 [0,2,0,1,0,0|1,0,0]=4 41952 B12R1.483 CCCCCN(C)C[C@H]1CCO1 9158862d9a143634e6834d5612310a8d [0,2,0,1,0,0|1,0,0]=4 41953 B12R1.483 CCCCC[C@@H](C)OC1CCC1 3d39f275e25f4a458d9f3bcb64dc230e [0,2,0,1,0,0|0,0,0]=3 41954 B12R1.483 CCCCC[C@@H](C)OC1COC1 1b745023e082b13393fbd01c9225cdab [0,2,0,1,0,0|1,0,0]=4 41955 B12R1.483 CCCCC[C@H](C)NC1CCC1 908e454c7d2f21be0b9a8fe05c4d0331 [0,2,0,1,0,0|1,0,0]=4 41956 B12R1.483 CCCCC[C@H](C)OC1CCC1 cb1c78fd19e3274d53b5fbceaa0d5696 [0,2,0,1,0,0|0,0,0]=3 41957 B12R1.483 CCCCC[C@H](C)OC1COC1 9eecf3e5bd7c783a6006dca4289e4b1a [0,2,0,1,0,0|1,0,0]=4 41958 B12R1.483 CCCCC[C@H](C)OC1CSC1 ff30588472d2ad99f791c5ece06519df [0,2,0,1,0,0|1,0,0]=4 41959 B12R1.483 CCCCNC(=O)CC1CCC1 b2cbbbd361e95d1d6bf6f82d1b1092ea [0,2,0,1,0,0|1,0,0]=4 41960 B12R1.483 CCCCOC(=O)CN1CCC1 74a635ffbbd9926eec166156a8d1d39a [0,2,0,1,0,0|0,0,1]=4 41961 B12R1.483 CCCOCC(C)OC1CCC1 934bfe435bfad48d207c6d824763b17a [0,2,0,1,0,0|0,0,0]=3 41962 B12R1.483 CCCOCC(C)OC1COC1 13c618a265407a88821bb72e7c152834 [0,2,0,1,0,0|1,0,0]=4 41963 B12R1.483 CCOCCN(C)CC1CCC1 cec824cc0607c8be53d6223301a23a13 [0,2,0,1,0,0|1,0,0]=4 41964 B12R1.483 CCSCCN(C)CC1CCC1 bad98e01fb3c06bb0e18d1efce0a8742 [0,2,0,1,0,0|1,0,0]=4 41965 B12R1.483 CN(CCCCF)CC1CCC1 4a57f71eef10634673ec11a247b282c3 [0,2,0,1,0,0|1,0,0]=4 41966 B12R1.483 CN(CCCCO)CC1CCC1 7acd11dae752205e7e069ac6d7fe96cc [0,2,0,1,0,0|1,0,0]=4 41967 B12R1.483 COCCCN(C)CC1CCC1 b561ceb83823dac0afe404e13144b5ba [0,2,0,1,0,0|1,0,0]=4 41968 B12R1.483 CSCCCN(C)CC1CCC1 aab6afb3777ab12f18fc621c7dff05d0 [0,2,0,1,0,0|1,0,0]=4 41969 B12R1.1631 CCCCN1C(CCCC1C)C e53e390b5ad4951039d194faf6181219 [0,2,0,1,0,0|1,0,0]=4 41970 B12R1.1631 CCCCN1C(COCC1C)C 468ea8ac4dcc30a1c9500edf77674ddf [0,2,0,1,0,0|1,0,0]=4 41971 B12R1.1631 CCCCN1[C@@H](CCC[C@@H]1C)C 41b774ddb5aa3697d11aa22e3ce1cada [0,2,0,1,0,0|1,0,0]=4 41972 B12R1.1631 CCCCN1[C@@H](CCC[C@H]1C)C 1d06a0eea0f83e848e2b701746a3a65c [0,2,0,1,0,0|1,0,0]=4 41973 B12R1.1631 CCCCN1[C@@H](COC[C@@H]1C)C 3fdc761b3ab0592f7810430b189f05f9 [0,2,0,1,0,0|1,0,0]=4 41974 B12R1.1631 CCCCN1[C@@H](COC[C@H]1C)C a0a5cafb6ea97cd6310bdcea979d68f9 [0,2,0,1,0,0|1,0,0]=4 41975 B12R1.1631 CCCCN1[C@H](CCC[C@@H]1C)C fd10b015a722687251c87aff4808e8ff [0,2,0,1,0,0|1,0,0]=4 41976 B12R1.1631 CCCCN1[C@H](COC[C@@H]1C)C 30c8aa88a70c10570b01d6bdb514fcf4 [0,2,0,1,0,0|1,0,0]=4 41977 B12R1.1631 CCCOC1C(CCCC1C)C 1279164509ebc1bdc09498160705e6b5 [0,2,0,1,0,0|1,0,0]=4 41978 B12R1.1631 CCOCC1C(CCCC1C)C 72444e5c4981ad8d7f5308c353d90b3d [0,2,0,1,0,0|1,0,0]=4 41979 B12R1.1997 CCCCNC1(CCCCC1)C 54c489292f2e899677eac4798556c291 [0,2,0,1,0,0|1,0,0]=4 41980 B12R1.1997 CCCCNC1(CCOCC1)C 040d780a7a1bb110340f6d399c21c166 [0,2,0,1,0,0|1,0,0]=4 41981 B12R1.1997 CCCNCC1(CCCCC1)C 2a8d8d6bddd8b285dba8d61467957afa [0,2,0,1,0,0|1,0,0]=4 41982 B12R1.1997 CCCNCC1(CCCCC1)O 25b81e34a639e910147eb36456d5a14b [0,2,0,1,0,0|1,0,0]=4 41983 B12R1.1997 CCCNCC1(COCCO1)C 6a52c387780893b070d826a3236bd520 [0,2,0,1,0,0|1,0,0]=4 41984 B12R1.1997 CCCOCC1(CCCCC1)C 752221613e4f44dccc6bcfab31464072 [0,2,0,1,0,0|1,0,0]=4 41985 B12R1.1997 CCCOCC1(CCCCC1)F 4ab4fd1b19901f376742dd8f80c22b96 [0,2,0,1,0,0|1,0,0]=4 41986 B12R1.1997 CCCOCC1(COCCO1)C d4949eb9bcacf29bee72512158dcefd3 [0,2,0,1,0,0|1,0,0]=4 41987 B12R1.1997 CCNCCC1(CCCCC1)O 134f4799864837a9764386e9bf9db91c [0,2,0,1,0,0|1,0,0]=4 41988 B12R1.70 CCCCN1CCC(CC1)(C)C 3cc939f1385fad741a17941117b28091 [0,2,0,1,0,0|1,0,0]=4 41989 B12R1.70 CCCCN1CCC(CC1)(C)O 072afd09d398d5d88695433977ab44cd [0,2,0,1,0,0|1,0,0]=4 41990 B12R1.70 CCCCN1CCC(CC1)(F)F 1cb382eb9ebeb19f59130325959987c4 [0,2,0,1,0,0|1,0,0]=4 41991 B12R1.70 CCOCC1CCC(CO1)(C)C 027310f0bfb39aaf51074fb2f0875b43 [0,2,0,1,0,0|1,0,0]=4 41992 B12R1.194 CCC(C)(C)NC1CCCCO1 174b5a2356e30867d8d4a6c2e5c4abe0 [0,2,0,1,0,0|1,0,0]=4 41993 B12R1.196 CC(C)(CF)COC1CCCC1 84b9f76d97b2428abbf5c32b69d15d9c [0,2,0,1,0,0|1,0,0]=4 41994 B12R1.196 CCC(C)(C)CNC1CCCC1 13aa746f6e49547a9d1219e1735d4962 [0,2,0,1,0,0|1,0,0]=4 41995 B12R1.196 CCC(C)(O)CNC1CCCC1 a7c77a75504e574f11789654ec1a2907 [0,2,0,1,0,0|1,0,0]=4 41996 B12R1.196 CCC(F)(F)COC1CCCC1 685b911b85c5dbf06a025ca5402a0101 [0,2,0,1,0,0|0,0,0]=3 41997 B12R1.196 CCS(=O)(=O)COC1CCCC1 0c3b01cec797d4fe97725201d2b2fdc8 [0,2,0,1,0,0|1,0,0]=4 41998 B12R1.196 COC(C)(C)COC1CCCC1 2491156d7726d2b1c615d7a1424e1ac8 [0,2,0,1,0,0|1,0,0]=4 41999 B12R1.197 CC(C)(CF)COCCC1CC1 15a90cc4f792af30e2c282f5a989dc6f [0,2,0,1,0,0|1,0,0]=4 42000 B12R1.197 CCC(C)(C)CCNCC1CC1 cecd96b1f4e5e932b1c1bff8025325d4 [0,2,0,1,0,0|1,0,0]=4 42001 B12R1.197 CCC(C)(C)CCOCC1CC1 f16f90b538390eb21689af4c90612467 [0,2,0,1,0,0|0,0,0]=3 42002 B12R1.197 CCC(C)(C)CNCCC1CC1 c2080fb2513010708c0a11f396aea4f2 [0,2,0,1,0,0|1,0,0]=4 42003 B12R1.197 CCC(C)(O)CNCCC1CC1 95f7357ef589dfbfb3eff4a097340d30 [0,2,0,1,0,0|1,0,0]=4 42004 B12R1.197 CCC(F)(F)COCCC1CC1 b3291c826caf703eeac74b2b79254062 [0,2,0,1,0,0|0,0,0]=3 42005 B12R1.197 CCS(=O)(=O)CCOCC1CC1 ab7ac18494e31013f96026383c31d619 [0,2,0,1,0,0|1,0,0]=4 42006 B12R1.197 COC(C)(C)CCOCC1CC1 7ca2809dd2e06a825a1ee0ce389f5b96 [0,2,0,1,0,0|1,0,0]=4 42007 B12R1.197 COC(C)(C)COCCC1CC1 1033e9c61892327662a3694c3c33c124 [0,2,0,1,0,0|1,0,0]=4 42008 B12R1.203 CC(C)(CF)COCC1CCC1 70caae46d89bfcc06fc70e759495aae4 [0,2,0,1,0,0|1,0,0]=4 42009 B12R1.203 CCC(C)(C)CCNC1CCC1 8c3de3e38e9c47966e85e1c57207d607 [0,2,0,1,0,0|1,0,0]=4 42010 B12R1.203 CCC(C)(C)CCOC1CCC1 3c2185fce0129ef22b38440514d09c9a [0,2,0,1,0,0|0,0,0]=3 42011 B12R1.203 CCC(C)(C)CCOC1COC1 2f2f8e72b80a067810c6bef6281621c7 [0,2,0,1,0,0|1,0,0]=4 42012 B12R1.203 CCC(C)(C)CCOC1CSC1 41b971f6589d106ee1fd1388af422116 [0,2,0,1,0,0|1,0,0]=4 42013 B12R1.203 CCC(C)(C)CNCC1CCC1 7c4c3ffa6d86a39c481ffd359050f254 [0,2,0,1,0,0|1,0,0]=4 42014 B12R1.203 CCC(C)(O)CNCC1CCC1 8d1b7e65468a97c760214b83192cd5f1 [0,2,0,1,0,0|1,0,0]=4 42015 B12R1.203 CCC(F)(F)COCC1CCC1 e9d6821408ebffdaf500c37b5816969f [0,2,0,1,0,0|0,0,0]=3 42016 B12R1.203 CCC(F)(F)COCC1CCO1 5832989fc3b60be2fa79eba457e7f809 [0,2,0,1,0,0|1,0,0]=4 42017 B12R1.203 CCC(F)(F)COCC1COC1 8c9361121eef3ec4902998c1d6d66790 [0,2,0,1,0,0|1,0,0]=4 42018 B12R1.203 CCC(F)(F)COC[C@@H]1CCO1 58289fb138da739969600c6c6b6a2019 [0,2,0,1,0,0|1,0,0]=4 42019 B12R1.203 CCC(F)(F)COC[C@H]1CCO1 b34c03058534894464138c4b9d02da90 [0,2,0,1,0,0|1,0,0]=4 42020 B12R1.203 CCS(=O)(=O)CCOC1CCC1 6652cfa20d649c6802cd7649119814b4 [0,2,0,1,0,0|1,0,0]=4 42021 B12R1.203 COC(C)(C)CCOC1CCC1 87399fc9a85af38c218c20eb9d94e588 [0,2,0,1,0,0|1,0,0]=4 42022 B12R1.203 COC(C)(C)COCC1CCC1 043b6e0db196edd06eec0a54b752c143 [0,2,0,1,0,0|1,0,0]=4 42023 B12R1.636 CC1C(CC1(F)F)OCCCF 02bc06a2279415fa61561c67e7b678f5 [0,2,0,1,0,0|1,0,0]=4 42024 B12R1.636 CC1C(CC1(F)F)OCCCS 2722e59dee4348f37287a9ca37591481 [0,2,0,1,0,0|1,0,0]=4 42025 B12R1.636 CCCCOC1CC(C1C)(F)F 5ba0deb482cce0defadff86771995ddf [0,2,0,1,0,0|0,0,0]=3 42026 B12R1.636 CCOCOC1CC(C1C)(F)F 9845fe095ebc9e0bdd0c19f11be9b000 [0,2,0,1,0,0|1,0,0]=4 42027 B12R1.636 COCCOC1CC(C1C)(F)F a97cb2c9b83c06d18ea1ca2eefc4369b [0,2,0,1,0,0|1,0,0]=4 42028 B12R1.636 CSCCOC1CC(C1C)(F)F c027fc0d536aadad91df29d5cee54fcf [0,2,0,1,0,0|1,0,0]=4 42029 B12R1.1170 CCC(C)(C)CCNC1CC1C 2d9b345377fc8fc3272ff111065f4cda [0,2,0,1,0,0|1,0,0]=4 42030 B12R1.1170 CCS(=O)(=O)COCC1CC1C f42ebcd1722dad608a6bb538cf6ca21a [0,2,0,1,0,0|1,0,0]=4 42031 B12R1.1170 CCS(=O)(=O)COC[C@@H]1C[C@@H]1C e70d943f61a3a0e4e722f00460b4f465 [0,2,0,1,0,0|1,0,0]=4 42032 B12R1.1170 CCS(=O)(=O)COC[C@@H]1C[C@H]1C 85dc9089f9e2750bb9d01e1f9597356f [0,2,0,1,0,0|1,0,0]=4 42033 B12R1.1170 CCS(=O)(=O)COC[C@H]1C[C@@H]1C ff69ca2f3c218effb8a1d90a156c6ff5 [0,2,0,1,0,0|1,0,0]=4 42034 B12R1.1170 COC(C)(C)COCC1CC1C 3ac32cc5fdb14f32167b2ce3df56dea7 [0,2,0,1,0,0|1,0,0]=4 42035 B12R1.1170 COC(C)(C)COC[C@@H]1C[C@@H]1C 5b90bf219300f5a84184859132bd8942 [0,2,0,1,0,0|1,0,0]=4 42036 B12R1.1170 COC(C)(C)COC[C@@H]1C[C@H]1C 5398c826a424e6bccbae5f317bb90a8b [0,2,0,1,0,0|1,0,0]=4 42037 B12R1.1170 COC(C)(C)COC[C@H]1C[C@@H]1C 6159f72d7d5eeda5a1cedbd318eca8ac [0,2,0,1,0,0|1,0,0]=4 42038 B12R1.1634 CCCCN1CCC(C1)(C)CC 03e8a4e77445e67527b97a73370890fa [0,2,0,1,0,0|1,0,0]=4 42039 B12R1.1634 CCCCN1CCC(C1)(F)CC 44564c407b37b3f61d89ca6b2a69ae6a [0,2,0,1,0,0|1,0,0]=4 42040 B12R1.1763 CCCCN1CCC(C1C)(C)C 881d65810ae6bea93ddd616027c0c60a [0,2,0,1,0,0|1,0,0]=4 42041 B12R1.1763 CCCCN1CCC(C1C)(F)F 12702d8d40763a40a9c1e38315c9631f [0,2,0,1,0,0|1,0,0]=4 42042 B12R1.3670 C#CC1(CC1)COCCCCC f145fcd47999f8e3604d4dede3e4cf8f [0,2,0,1,0,0|0,0,0]=3 42043 B12R1.3670 C#CC1(CC1)COCCCCF 7845879adc96a335a3b3710cedee6105 [0,2,0,1,0,0|1,0,0]=4 42044 B12R1.3670 C#CC1(CC1)COCCCOC 422d5cc935ad32fa479b588dc6d209ea [0,2,0,1,0,0|1,0,0]=4 42045 B12R1.3670 C#CC1(CC1)COCCCSC 42e90387d6e8221390169b94a293b87d [0,2,0,1,0,0|1,0,0]=4 42046 B12R1.3670 C#CC1(CC1)COCCOCC 12c38d5684db5101cb032c328a88c47f [0,2,0,1,0,0|1,0,0]=4 42047 B12R1.3670 C#CC1(CC1)COCCSCC 553f788cdc13ea6a830da14d7d34cf7a [0,2,0,1,0,0|1,0,0]=4 42048 B12R1.3670 C#CC1(CC1)NCOCCCC c2bbd12c8aed57dab107dad676a5367d [0,2,0,1,0,0|1,0,0]=4 42049 B12R1.3670 CCC1(CC1)COCCCCF 1e826da9c3b513c216dd8cee62d109bd [0,2,0,1,0,0|1,0,0]=4 42050 B12R1.3670 CCC1(CC1)COCCCOC 813192b1578e7427258d597eb392041c [0,2,0,1,0,0|1,0,0]=4 42051 B12R1.3670 CCC1(CC1)COCCCSC d4e80fc52234e14b973b469653854c06 [0,2,0,1,0,0|1,0,0]=4 42052 B12R1.3670 CCCCCNCC1(CC1)C#N 677bc5d4d5d2284f07334694f898dccf [0,2,0,1,0,0|1,0,0]=4 42053 B12R1.3670 CCCCCNCC1(CC1)CO b723724e72a80e4cf81f9c683a08b169 [0,2,0,1,0,0|1,0,0]=4 42054 B12R1.3670 CCCCCOCC1(CC1)C#N c933293c02f69ccfb9064603ee9cdb16 [0,2,0,1,0,0|0,0,0]=3 42055 B12R1.3670 CCCCCOCC1(CC1)C=O b60de825f1c0ccbbcd3920def921cd97 [0,2,0,1,0,0|0,0,0]=3 42056 B12R1.3670 CCCCCOCC1(CC1)CC 977111c63b07344666f311efbbf63f4d [0,2,0,1,0,0|0,0,0]=3 42057 B12R1.3670 CCCCCOCC1(CC1)CF 63697f1fa507bbe8869f6ead67094bce [0,2,0,1,0,0|0,0,0]=3 42058 B12R1.3670 CCCCCOCC1(CC1)OC 796b3f64c8926e6c736fbbdaf0f1b60f [0,2,0,1,0,0|0,0,0]=3 42059 B12R1.3670 CCCCNCCC1(CC1)CO 3150ac42abf060fc25757dafb605529d [0,2,0,1,0,0|1,0,0]=4 42060 B12R1.3670 CCCCOCCC1(CC1)C#N ef6241f10ff697ac35322e9259d94ef7 [0,2,0,1,0,0|0,0,0]=3 42061 B12R1.3670 CCCCOCNC1(CC1)C#N fb348494882ffe9dae511ac61cb0d688 [0,2,0,1,0,0|1,0,0]=4 42062 B12R1.3670 CCCCOCNC1(CC1)CO 93b60f226c457f803cc36ec0956e9bfa [0,2,0,1,0,0|1,0,0]=4 42063 B12R1.3670 CCOCCOCC1(CC1)C#N d4e881b6f34a58fcc54917b3332b26bc [0,2,0,1,0,0|1,0,0]=4 42064 B12R1.3670 CCOCCOCC1(CC1)C=O 8ee9b235998e841be5ed1b1ca0714961 [0,2,0,1,0,0|1,0,0]=4 42065 B12R1.3670 CCOCCOCC1(CC1)CC 15feddf482328bd6c7a13d1fdb63f7d1 [0,2,0,1,0,0|1,0,0]=4 42066 B12R1.3670 CCOCCOCC1(CC1)CF 4bd85f4a298ff522aa4948310fb40bd9 [0,2,0,1,0,0|1,0,0]=4 42067 B12R1.3670 CCOCCOCC1(CC1)OC 68451945446c2f28d8ac2235f46a2376 [0,2,0,1,0,0|1,0,0]=4 42068 B12R1.3670 CCSCCOCC1(CC1)C#N ca80e330887e282faf38944b8be6812e [0,2,0,1,0,0|1,0,0]=4 42069 B12R1.3670 CCSCCOCC1(CC1)C=O b97683689c980c8f7acbd67c5584e07f [0,2,0,1,0,0|1,0,0]=4 42070 B12R1.3670 CCSCCOCC1(CC1)CC e1d23848a661e4d4d00cc512da20fc67 [0,2,0,1,0,0|1,0,0]=4 42071 B12R1.3670 CCSCCOCC1(CC1)CF 021b2f887c109c5485e65af7222189cc [0,2,0,1,0,0|1,0,0]=4 42072 B12R1.3670 CCSCCOCC1(CC1)OC 1592c4c4b6f34ae24d9e45a6ed33690e [0,2,0,1,0,0|1,0,0]=4 42073 B12R1.3670 COC1(CC1)COCCCCF 4633d514973ac015ee9dd4531d41797c [0,2,0,1,0,0|1,0,0]=4 42074 B12R1.3670 COC1(CC1)COCCCSC 01e747bb3d2bf5129630b94dff4fd7a3 [0,2,0,1,0,0|1,0,0]=4 42075 B12R1.3670 COCCCOCC1(CC1)C#N d3cf2c5aa0e49f2f1263c62c6dae54d5 [0,2,0,1,0,0|1,0,0]=4 42076 B12R1.3670 COCCCOCC1(CC1)C=O 66fb17e741d930833d33c481d1817710 [0,2,0,1,0,0|1,0,0]=4 42077 B12R1.3670 COCCCOCC1(CC1)CF 37607821350422aaa7f4b6da7cbd0f0a [0,2,0,1,0,0|1,0,0]=4 42078 B12R1.3670 COCCCOCC1(CC1)OC f9adc718ea49d6069634a7ce63e4f271 [0,2,0,1,0,0|1,0,0]=4 42079 B12R1.3670 COCCOCCC1(CC1)C#N 3c10f9f2bf168058343c1eee91b53abd [0,2,0,1,0,0|1,0,0]=4 42080 B12R1.3670 CSCCCOCC1(CC1)C#N 433111f4ba5fb65e7a45b83b48765421 [0,2,0,1,0,0|1,0,0]=4 42081 B12R1.3670 CSCCCOCC1(CC1)C=O 33e385baffcd1fcd6af8a0ad7a0ecf0e [0,2,0,1,0,0|1,0,0]=4 42082 B12R1.3670 CSCCCOCC1(CC1)CF dd58e99e14ca8a6f826c8672c0201355 [0,2,0,1,0,0|1,0,0]=4 42083 B12R1.3670 CSCCOCCC1(CC1)C#N 03f10a20643e68d6809963eb789ccc74 [0,2,0,1,0,0|1,0,0]=4 42084 B12R1.3670 FCCCCOCC1(CC1)CF e9258a60ab79364617c38417a9f5a230 [0,2,0,1,0,0|1,0,0]=4 42085 B12R1.3670 N#CC1(CC1)CCOCCCF 19f65274aa3f54d35a74b8779746bbdf [0,2,0,1,0,0|1,0,0]=4 42086 B12R1.3670 N#CC1(CC1)CCOCCCS cf8f396fd2e615f8c926186075996ff5 [0,2,0,1,0,0|1,0,0]=4 42087 B12R1.3670 N#CC1(CC1)COCCCCF 771273189c9a4f5a6156177b2ea79b07 [0,2,0,1,0,0|1,0,0]=4 42088 B12R1.3670 N#CC1(CC1)COCCCCS 95ecfcc8f70cabcfb6cfc776089e5df8 [0,2,0,1,0,0|1,0,0]=4 42089 B12R1.3670 O=CC1(CC1)COCCCCF ccb6aadbe9cd740f3bdc414c140f136a [0,2,0,1,0,0|1,0,0]=4 42090 B12R1.71 CCCCN1CCC(CC1)C#N 762416796feaf8c2bcedc3fd7f5d3142 [0,2,0,1,0,0|1,0,0]=4 42091 B12R1.71 CCCCN1CCC(CC1)C=O aaf3dd2569cc9057e15ba0c22eb8b527 [0,2,0,1,0,0|1,0,0]=4 42092 B12R1.71 CCCCN1CCC(CC1)CC 29af4f5b02d1d78a1bae6674a98c2a05 [0,2,0,1,0,0|1,0,0]=4 42093 B12R1.71 CCCCN1CCC(CC1)CF e431e6c5133c2e9eee1bb029a09a1e17 [0,2,0,1,0,0|1,0,0]=4 42094 B12R1.71 CCCCN1CCC(CC1)CO 4e6e8eb17185d45873d2bcb2406ca466 [0,2,0,1,0,0|1,0,0]=4 42095 B12R1.71 CCCCN1CCC(CC1)OC 75031e0820b34647f22cf691f3995332 [0,2,0,1,0,0|1,0,0]=4 42096 B12R1.71 CCCCN1CCC(CC1)SC 06b7f8094c3eb66bdc23df16266ffd98 [0,2,0,1,0,0|1,0,0]=4 42097 B12R1.431 CCC(C)CCN1CC(C1)CC 8e344418b3ec39c2ad5d7eb44e327f27 [0,2,0,1,0,0|1,0,0]=4 42098 B12R1.431 CCC(C)COC1CC(C1)OC ba9c9d8b4e830de15f22f4b4c38e5105 [0,2,0,1,0,0|1,0,0]=4 42099 B12R1.431 CCC(C)COC1CN(C1)CC fea8a4c868664a2651721b1295006d04 [0,2,0,1,0,0|1,0,0]=4 42100 B12R1.431 CCC(C)CO[C@H]1C[C@@H](C1)OC 03f7f78b3349edcf668915525b81ed07 [0,2,0,1,0,0|1,0,0]=4 42101 B12R1.431 CCC(C)CO[C@H]1C[C@H](C1)CF 2a9355c64740985e3f285763466d6342 [0,2,0,1,0,0|1,0,0]=4 42102 B12R1.431 CCC(C)CO[C@H]1C[C@H](C1)OC 51ac8443ba4655b4d05aab178efc5a99 [0,2,0,1,0,0|1,0,0]=4 42103 B12R1.431 CC[C@@H](C)COC1CC(C1)OC 48fa879759bab20fa515182940cb535d [0,2,0,1,0,0|1,0,0]=4 42104 B12R1.431 CC[C@@H](C)COC1CN(C1)CC d56ca9e4a03b1b795a046d00bccd4a78 [0,2,0,1,0,0|1,0,0]=4 42105 B12R1.431 CC[C@@H](C)CO[C@H]1C[C@@H](C1)OC 60b4090f2324c9c11626a80b69874e86 [0,2,0,1,0,0|1,0,0]=4 42106 B12R1.431 CC[C@@H](C)CO[C@H]1C[C@H](C1)CF 65e0a0415a73d5944040bf35c74a1507 [0,2,0,1,0,0|1,0,0]=4 42107 B12R1.431 CC[C@@H](C)CO[C@H]1C[C@H](C1)OC db82c4495cf07c5be9c1c52c428f036b [0,2,0,1,0,0|1,0,0]=4 42108 B12R1.431 CC[C@H](C)COC1CC(C1)OC 40539268bd6a7e24a4f271fec4ca3981 [0,2,0,1,0,0|1,0,0]=4 42109 B12R1.431 CC[C@H](C)COC1CN(C1)CC 0c2e52a29524f714ea92ad2259d801aa [0,2,0,1,0,0|1,0,0]=4 42110 B12R1.431 CC[C@H](C)CO[C@H]1C[C@@H](C1)OC 1a21a7fe63a15429d60b9ee0b4967c60 [0,2,0,1,0,0|1,0,0]=4 42111 B12R1.431 CC[C@H](C)CO[C@H]1C[C@H](C1)CF 3b3fa108161bef3e83dfef38f10ff7f1 [0,2,0,1,0,0|1,0,0]=4 42112 B12R1.431 CC[C@H](C)CO[C@H]1C[C@H](C1)OC d661639b5ae7a034bf74385e50847f1e [0,2,0,1,0,0|1,0,0]=4 42113 B12R1.882 CCCCC(C)NCC1(CC1)C 2f46e9b7437755fb06964563105bf8f6 [0,2,0,1,0,0|1,0,0]=4 42114 B12R1.882 CCCCC(C)NCC1(CC1)F e43d801887f229978a1ae88972170802 [0,2,0,1,0,0|1,0,0]=4 42115 B12R1.882 CCCCC(C)NCC1(CC1)O d5c4ce82a0f85d889baa47d9071d6299 [0,2,0,1,0,0|1,0,0]=4 42116 B12R1.882 CCCCC(C)OCC1(CC1)Br 3b4db7d21f1c8b87b921c1d7a19d0efd [0,2,0,1,0,0|0,0,0]=3 42117 B12R1.882 CCCCC(C)OCC1(CC1)C cc499086c5e212a02ddeaa28ae6fee80 [0,2,0,1,0,0|0,0,0]=3 42118 B12R1.882 CCCCC(C)OCC1(CC1)Cl e320e38b683f24fe575f707c5f03838f [0,2,0,1,0,0|0,0,0]=3 42119 B12R1.882 CCCCC(C)OCC1(CC1)F 43462ad49fcccb5bfd0a9e770e3589b5 [0,2,0,1,0,0|0,0,0]=3 42120 B12R1.882 CCCC[C@@H](C)NCC1(CC1)C bd36af0044d2f727acab69305cb1e880 [0,2,0,1,0,0|1,0,0]=4 42121 B12R1.882 CCCC[C@@H](C)NCC1(CC1)F f50efa62d6a8c669c01f0040f2a617db [0,2,0,1,0,0|1,0,0]=4 42122 B12R1.882 CCCC[C@@H](C)OCC1(CC1)C 19a4a9d3c40ffe362e8f9d110ebd4e05 [0,2,0,1,0,0|0,0,0]=3 42123 B12R1.882 CCCC[C@@H](C)OCC1(CC1)F f9694a2fd175cf1edf423ab841500999 [0,2,0,1,0,0|0,0,0]=3 42124 B12R1.882 CCCC[C@H](C)OCC1(CC1)C 356306209c80a443da9eeecf75f4077c [0,2,0,1,0,0|0,0,0]=3 42125 B12R1.882 CCCC[C@H](C)OCC1(CC1)F 33498605c2355e9469257fe143f22c01 [0,2,0,1,0,0|0,0,0]=3 42126 B12R1.882 CCOCC(C)OCC1(CC1)C 2ca484240e51ca82a87a843ec8d96cd1 [0,2,0,1,0,0|1,0,0]=4 42127 B12R1.882 CCOCC(C)OCC1(CC1)F 0845e24d5b633b39363e7dc887bb5f04 [0,2,0,1,0,0|1,0,0]=4 42128 B12R1.882 COCCC(C)OCC1(CC1)C 1e7c3eb0614bb4d464181bdd954af80e [0,2,0,1,0,0|1,0,0]=4 42129 B12R1.882 COCCC(C)OCC1(CC1)F 48faa67c36655312ace0c2f6b9e348b0 [0,2,0,1,0,0|1,0,0]=4 42130 B12R1.882 CSCCC(C)OCC1(CC1)C ec54762371459cfe5bae1b68a9177711 [0,2,0,1,0,0|1,0,0]=4 42131 B12R1.908 C=C(CC)COC(C)C1CCC1 85033655753dc27eba35e956681cf782 [0,2,0,1,0,0|0,0,1]=4 42132 B12R1.908 C=C(CC)CO[C@@H](C)C1CCC1 6bc7217e112e64c16c5c48ff9d2eab42 [0,2,0,1,0,0|0,0,1]=4 42133 B12R1.908 CC(OCC(O)CO)C1CCC1 2502dc210112a6a1ae063de48d9eaeb4 [0,2,0,1,0,0|1,0,0]=4 42134 B12R1.908 CC(OC[C@@H](O)CO)C1CCC1 9128e76e1601d5841c5399b2a3463bd5 [0,2,0,1,0,0|1,0,0]=4 42135 B12R1.908 CC(OC[C@H](O)CO)C1CCC1 fe46df0f92bd0861709258cc5a71c483 [0,2,0,1,0,0|1,0,0]=4 42136 B12R1.908 CCC(=O)COC(C)C1CCC1 ec43401a4c0c0bb8b1b5907485deb795 [0,2,0,1,0,0|0,0,1]=4 42137 B12R1.908 CCC(=O)CO[C@@H](C)C1CCC1 163c60cb81a984a47667dfc45ae5cd68 [0,2,0,1,0,0|0,0,1]=4 42138 B12R1.908 CCC(C)CCN(C)C1CCC1 1525b1c5beae661747c94286d5deab4d [0,2,0,1,0,0|1,0,0]=4 42139 B12R1.908 CCC(C)COC(C)C1CCC1 ca8f8532d5ba46abd8b82e0a83ff7ebc [0,2,0,1,0,0|0,0,0]=3 42140 B12R1.908 CCC(C)COC(C)C1COC1 83b5f8cf8ffd0bdf934b2b10b275f0f7 [0,2,0,1,0,0|1,0,0]=4 42141 B12R1.908 CCC(C)CO[C@@H](C)C1CCC1 686ba87950c7110ed2480364dfa877b8 [0,2,0,1,0,0|0,0,0]=3 42142 B12R1.908 CCC(C)CO[C@@H](C)C1COC1 f8818758971f9606d8340dcc4cd099fa [0,2,0,1,0,0|1,0,0]=4 42143 B12R1.908 CCC(C)CO[C@H](C)C1COC1 3bcbf23698d7bcce798511bfe0b7b88d [0,2,0,1,0,0|1,0,0]=4 42144 B12R1.908 CC[C@@H](C)COC(C)C1CCC1 bfca593e8e0c0a2aca7934b347668677 [0,2,0,1,0,0|0,0,0]=3 42145 B12R1.908 CC[C@@H](C)COC(C)C1COC1 47f67f179763e1a355a09bde1d805bf9 [0,2,0,1,0,0|1,0,0]=4 42146 B12R1.908 CC[C@@H](C)CO[C@@H](C)C1CCC1 dad068ad54aae891a1011fb69d5db858 [0,2,0,1,0,0|0,0,0]=3 42147 B12R1.908 CC[C@@H](C)CO[C@@H](C)C1COC1 c4082af06efb91cbde6c09e5fa1a31f3 [0,2,0,1,0,0|1,0,0]=4 42148 B12R1.908 CC[C@@H](C)CO[C@H](C)C1COC1 8003aa0e2e76f8d3ba53953cbd42edad [0,2,0,1,0,0|1,0,0]=4 42149 B12R1.908 CC[C@H](C)COC(C)C1CCC1 94943e74b17d4668fb92b46a183b28b4 [0,2,0,1,0,0|0,0,0]=3 42150 B12R1.908 CC[C@H](C)COC(C)C1COC1 88835b88ba147975d8423fc9fc9ca130 [0,2,0,1,0,0|1,0,0]=4 42151 B12R1.908 CC[C@H](C)CO[C@@H](C)C1CCC1 79c763ad79e452dd3029761062edcf44 [0,2,0,1,0,0|0,0,0]=3 42152 B12R1.908 CC[C@H](C)CO[C@@H](C)C1COC1 a5272f14cbe53f9686f466571f6ca273 [0,2,0,1,0,0|1,0,0]=4 42153 B12R1.908 CC[C@H](C)CO[C@H](C)C1COC1 3aa66f6bdac610f5cd6a2884a8e1c1e1 [0,2,0,1,0,0|1,0,0]=4 42154 B12R1.908 COC(C)COC(C)C1CCC1 0dc847e528aa96ad07127fedf671eb27 [0,2,0,1,0,0|1,0,0]=4 42155 B12R1.908 COC(C)CO[C@@H](C)C1CCC1 06129949500ae8c65a4d676e66bdb0dd [0,2,0,1,0,0|1,0,0]=4 42156 B12R1.908 CO[C@@H](C)COC(C)C1CCC1 ae31f4522fcb6603dc30ea9679455e3f [0,2,0,1,0,0|1,0,0]=4 42157 B12R1.908 CO[C@@H](C)CO[C@@H](C)C1CCC1 41043e9400e9a5001fbf9709b0848361 [0,2,0,1,0,0|1,0,0]=4 42158 B12R1.908 CO[C@H](C)COC(C)C1CCC1 b348a7354f4ff15801575075ea67229c [0,2,0,1,0,0|1,0,0]=4 42159 B12R1.908 CO[C@H](C)CO[C@@H](C)C1CCC1 654d1290483d74feb039dfe8187bb823 [0,2,0,1,0,0|1,0,0]=4 42160 B12R1.908 C[C@H](OCC(O)CO)C1CCC1 0542e1062dbfb196385d3f566c80160b [0,2,0,1,0,0|1,0,0]=4 42161 B12R1.908 C[C@H](OC[C@@H](O)CO)C1CCC1 500595f4d6e3b021470723d80b991bbb [0,2,0,1,0,0|1,0,0]=4 42162 B12R1.908 C[C@H](OC[C@H](O)CO)C1CCC1 d503a3f366fa22369605b11f8ed8fe04 [0,2,0,1,0,0|1,0,0]=4 42163 B12R1.910 C=C(CC)COC(C)CC1CC1 7552266ee08f5807fdefbf3c64a5b34c [0,2,0,1,0,0|0,0,1]=4 42164 B12R1.910 CC(CC1CC1)OCC(O)CO d7b805b30562b6b72b7f5004d0028098 [0,2,0,1,0,0|1,0,0]=4 42165 B12R1.910 CC(CC1CC1)OC[C@@H](O)CO 6f99ea42d769f84d436212bb9d35b9b6 [0,2,0,1,0,0|1,0,0]=4 42166 B12R1.910 CC(CC1CC1)OC[C@H](O)CO b2426ea7bcf5489d73346ea3339dc294 [0,2,0,1,0,0|1,0,0]=4 42167 B12R1.910 CCC(=O)COC(C)CC1CC1 f243882193a2d363d239e30a724b7d25 [0,2,0,1,0,0|0,0,1]=4 42168 B12R1.910 CCC(C)CCN(C)CC1CC1 1354a2f5d365baf175af51fb72fecbe6 [0,2,0,1,0,0|1,0,0]=4 42169 B12R1.910 CCC(C)COC(C)CC1CC1 40a027f836a1efcea5c4b783d61566f1 [0,2,0,1,0,0|0,0,0]=3 42170 B12R1.910 CC[C@@H](C)COC(C)CC1CC1 c27990457d3652501e9ef1efbca9be70 [0,2,0,1,0,0|0,0,0]=3 42171 B12R1.910 CC[C@H](C)COC(C)CC1CC1 5f3fcc7bbc40e4207f8c772aa1f7876e [0,2,0,1,0,0|0,0,0]=3 42172 B12R1.910 COC(C)COC(C)CC1CC1 33207092ff1e3d8256a56d6e2479710c [0,2,0,1,0,0|1,0,0]=4 42173 B12R1.910 CO[C@@H](C)COC(C)CC1CC1 644d06d1d75b987bb8915dd9f7e04d07 [0,2,0,1,0,0|1,0,0]=4 42174 B12R1.910 CO[C@H](C)COC(C)CC1CC1 ea3c5fc9f6fca7a3dda40983dbf30636 [0,2,0,1,0,0|1,0,0]=4 42175 B12R1.1677 CCC(C)CNC1(CCCC1)C e5d1545b9bde33bb2cf9ae316da12ba8 [0,2,0,1,0,0|1,0,0]=4 42176 B12R1.1677 CCC(O)CNC1(CCCC1)C 324eb25d15b89de097ac0aa47f5115cc [0,2,0,1,0,0|1,0,0]=4 42177 B12R1.1677 CC[C@@H](C)CNC1(CCCC1)C b57a23456c135c87293914cd9971044c [0,2,0,1,0,0|1,0,0]=4 42178 B12R1.1677 CC[C@H](C)CNC1(CCCC1)C 057930df84f865d6637c5e3f98389ccf [0,2,0,1,0,0|1,0,0]=4 42179 B12R1.2025 CCCCC(C)N1CC(C1)CC 1cba479d214d42be975bee20a443fa43 [0,2,0,1,0,0|1,0,0]=4 42180 B12R1.2217 CCC(C)CN1C(CCC1C)C 6f2049118d74562ea4502db7ff1f1a24 [0,2,0,1,0,0|1,0,0]=4 42181 B12R1.2217 CCC(C)CN1[C@@H](CC[C@@H]1C)C 6eb698be5404843b46dfc57abe0c7741 [0,2,0,1,0,0|1,0,0]=4 42182 B12R1.2217 CCC(C)CN1[C@@H](CC[C@H]1C)C 62c4dea0f3b61a75a2fc47884070da25 [0,2,0,1,0,0|1,0,0]=4 42183 B12R1.2217 CCC(C)CN1[C@H](CC[C@@H]1C)C a0fb71fe606c90b0ad3fdb22bfabada2 [0,2,0,1,0,0|1,0,0]=4 42184 B12R1.2217 CCC(O)CN1C(CCC1C)C 1fc858314db228889c3785327fdda49b [0,2,0,1,0,0|1,0,0]=4 42185 B12R1.2217 CCC(O)CN1[C@@H](CC[C@@H]1C)C f88fc5e6b3ded813cc41a1e21e7ccee9 [0,2,0,1,0,0|1,0,0]=4 42186 B12R1.2217 CCC(O)CN1[C@@H](CC[C@H]1C)C ce5fb6c50dc27ca0fe4f9eed51a72f7f [0,2,0,1,0,0|1,0,0]=4 42187 B12R1.2217 CCC(O)CN1[C@H](CC[C@@H]1C)C a2149d67382caffc8959b8efbfa362ee [0,2,0,1,0,0|1,0,0]=4 42188 B12R1.2217 CC[C@@H](C)CN1C(CCC1C)C 352543edadaf104f25a2f77496c7f06d [0,2,0,1,0,0|1,0,0]=4 42189 B12R1.2217 CC[C@@H](C)CN1[C@@H](CC[C@@H]1C)C 83ae8071f678a845c5f0960328516e4f [0,2,0,1,0,0|1,0,0]=4 42190 B12R1.2217 CC[C@@H](C)CN1[C@@H](CC[C@H]1C)C c2460713e385b0a14f6a0f950e5d1d32 [0,2,0,1,0,0|1,0,0]=4 42191 B12R1.2217 CC[C@@H](C)CN1[C@H](CC[C@@H]1C)C 007d9d8cb7c7cdd614474e35e992c419 [0,2,0,1,0,0|1,0,0]=4 42192 B12R1.2217 CC[C@H](C)CN1C(CCC1C)C e74edb3f593b5611fe2b90f67d3dfe0c [0,2,0,1,0,0|1,0,0]=4 42193 B12R1.2217 CC[C@H](C)CN1[C@@H](CC[C@@H]1C)C f51b644e0196b8256a00aab5daa2059e [0,2,0,1,0,0|1,0,0]=4 42194 B12R1.2217 CC[C@H](C)CN1[C@@H](CC[C@H]1C)C ae96b3700fa7d388f4d3e82cea0714d2 [0,2,0,1,0,0|1,0,0]=4 42195 B12R1.2217 CC[C@H](C)CN1[C@H](CC[C@@H]1C)C 9de67fefe34d15036935a1d37135a25a [0,2,0,1,0,0|1,0,0]=4 42196 B12R1.2259 CCOCC1(CCC(CO1)C)C cec2b90eb16ee28d98c131bf242be29e [0,2,0,1,0,0|1,0,0]=4 42197 B12R1.49 CCC(C)CN1CCC(CC1)C a24f5c776a314525fabbca983c269bcd [0,2,0,1,0,0|1,0,0]=4 42198 B12R1.49 CCC(C)CN1CCC(CC1)Cl b999d45bf3338eaabf562a83d87855bc [0,2,0,1,0,0|1,0,0]=4 42199 B12R1.49 CCC(C)CN1CCC(CC1)F 41d4cfd884ef3ef8dc9b7235fe0c7ef6 [0,2,0,1,0,0|1,0,0]=4 42200 B12R1.49 CCC(C)CN1CCC(CC1)I fe238c377f369d1444bc06f06fa17563 [0,2,0,1,0,0|1,0,0]=4 42201 B12R1.49 CCC(C)CN1CCC(CC1)O d8ae44c200f7b98a085317c64066b7df [0,2,0,1,0,0|1,0,0]=4 42202 B12R1.49 CCC(O)CN1CCC(CC1)C af5fbcf377d67f1f8a48ee50029d42bf [0,2,0,1,0,0|1,0,0]=4 42203 B12R1.49 CCC(O)CN1CCC(CC1)Cl 42887ca2ff8b8473434e7a12865164e1 [0,2,0,1,0,0|1,0,0]=4 42204 B12R1.49 CCC(O)CN1CCC(CC1)F 05cba65c1155431b6e564effecd718d7 [0,2,0,1,0,0|1,0,0]=4 42205 B12R1.49 CCC(O)CN1CCC(CC1)I 7efbcd03e81c84ac83affa0670a6a565 [0,2,0,1,0,0|1,0,0]=4 42206 B12R1.49 CCC(O)CN1CCC(CC1)O 13e5a53801e00d662bb3631993296a89 [0,2,0,1,0,0|1,0,0]=4 42207 B12R1.49 CC[C@@H](C)CN1CCC(CC1)C e16fee0fd58c604165835123ce32e522 [0,2,0,1,0,0|1,0,0]=4 42208 B12R1.49 CC[C@@H](C)CN1CCC(CC1)Cl ce760c8cd3850664b885bfa264ce1845 [0,2,0,1,0,0|1,0,0]=4 42209 B12R1.49 CC[C@@H](C)CN1CCC(CC1)F e7f35fbdd4ba8579f41eabefcb9296a6 [0,2,0,1,0,0|1,0,0]=4 42210 B12R1.49 CC[C@@H](C)CN1CCC(CC1)I 2d94007bd617cda2c8449c276add6041 [0,2,0,1,0,0|1,0,0]=4 42211 B12R1.49 CC[C@@H](C)CN1CCC(CC1)O ca466fcd8e04f68a57cf3cb91bac587d [0,2,0,1,0,0|1,0,0]=4 42212 B12R1.49 CC[C@H](C)CN1CCC(CC1)C c17455c273c363b7109999da015be9c3 [0,2,0,1,0,0|1,0,0]=4 42213 B12R1.49 CC[C@H](C)CN1CCC(CC1)Cl 90af0e6ed230612d54f2bc3cfb764286 [0,2,0,1,0,0|1,0,0]=4 42214 B12R1.49 CC[C@H](C)CN1CCC(CC1)F ddb44a1c49edae6ddc1d58a959f84209 [0,2,0,1,0,0|1,0,0]=4 42215 B12R1.49 CC[C@H](C)CN1CCC(CC1)I 04e5fc9c3c9ab7ff4a54e2d0638fbd5e [0,2,0,1,0,0|1,0,0]=4 42216 B12R1.49 CC[C@H](C)CN1CCC(CC1)O f5dea376c4683a81f97c91b4349e244d [0,2,0,1,0,0|1,0,0]=4 42217 B12R1.61 CCC(C)CN1CCC(C1)CC ec1b3c7f3661f963a0277a5463c67372 [0,2,0,1,0,0|1,0,0]=4 42218 B12R1.61 CCC(O)CN1CCC(C1)CC 241397fdd684a2fb482b19dea433994b [0,2,0,1,0,0|1,0,0]=4 42219 B12R1.61 CCC1CCN(C1)C[C@@H](C)CC 567058b2aebe7291069d3af011b90f6a [0,2,0,1,0,0|1,0,0]=4 42220 B12R1.61 CCC1CCN(C1)C[C@H](C)CC 51399de0a4de3a8e3555eacb7d8bd334 [0,2,0,1,0,0|1,0,0]=4 42221 B12R1.1672 CCC(C)CN1CCC(C1C)O e89fae9caf510107b61bb3d7c7c0b865 [0,2,0,1,0,0|1,0,0]=4 42222 B12R1.1672 CCC(C)CN1CC[C@@H]([C@@H]1C)O 0898f09b5ff3244d290e5b24d2253fcd [0,2,0,1,0,0|1,0,0]=4 42223 B12R1.1672 CCC(C)CN1CC[C@H]([C@H]1C)O 5900602dbaec1a8abe5c7405229ff038 [0,2,0,1,0,0|1,0,0]=4 42224 B12R1.1672 CCC(O)CN1CCC(C1C)O efeb31a6d178a916283b4102374b54e2 [0,2,0,1,0,0|1,0,0]=4 42225 B12R1.1672 CCC(O)CN1CC[C@@H]([C@@H]1C)O a583e102b5da624651d3a67df33a5bb9 [0,2,0,1,0,0|1,0,0]=4 42226 B12R1.1672 CCC(O)CN1CC[C@H]([C@H]1C)O 33c058e0051e6099dd4da0e6597b197a [0,2,0,1,0,0|1,0,0]=4 42227 B12R1.1672 CC[C@@H](C)CN1CCC(C1C)O 7ad911d28ab19bea6dcde11d22075c81 [0,2,0,1,0,0|1,0,0]=4 42228 B12R1.1672 CC[C@@H](C)CN1CC[C@@H]([C@@H]1C)O cfc7f1f933c14dc9a15d22b0721e697d [0,2,0,1,0,0|1,0,0]=4 42229 B12R1.1672 CC[C@@H](C)CN1CC[C@H]([C@H]1C)O 5b69c5119e7eafca62a54a777cf45b43 [0,2,0,1,0,0|1,0,0]=4 42230 B12R1.1672 CC[C@H](C)CN1CCC(C1C)O bd73cd726e12993e2866e48c3146675e [0,2,0,1,0,0|1,0,0]=4 42231 B12R1.1672 CC[C@H](C)CN1CC[C@@H]([C@@H]1C)O 333aaf475c4510645ec2978da4a88d44 [0,2,0,1,0,0|1,0,0]=4 42232 B12R1.1672 CC[C@H](C)CN1CC[C@H]([C@H]1C)O b784c1deeb98a28050c8c8807f9b9c18 [0,2,0,1,0,0|1,0,0]=4 42233 B12R1.1686 C=C(CC)COCCC1(CC1)C 603dd1f062d95793bf0015b5f32d8eb3 [0,2,0,1,0,0|0,0,1]=4 42234 B12R1.1686 CC1(CC1)CCOCC(O)CO fbcce4560a26f6b1cef20deed94ff22b [0,2,0,1,0,0|1,0,0]=4 42235 B12R1.1686 CC1(CC1)CCOC[C@@H](O)CO 4270110ff6a6f21cab815bf33fc0ecb0 [0,2,0,1,0,0|1,0,0]=4 42236 B12R1.1686 CC1(CC1)CCOC[C@H](O)CO 7186173e8bda354d4f043ce61aa9cbe8 [0,2,0,1,0,0|1,0,0]=4 42237 B12R1.1686 CCC(=O)COCCC1(CC1)C 7b29c83b31a89767466995624c0c11b7 [0,2,0,1,0,0|0,0,1]=4 42238 B12R1.1686 CCC(C)CCNCC1(CC1)C 1da76f26d7fa17b427f222765c7466c3 [0,2,0,1,0,0|1,0,0]=4 42239 B12R1.1686 CCC(C)CCNCC1(CC1)F 095285e788a9decb3da74d8cd29fb9f7 [0,2,0,1,0,0|1,0,0]=4 42240 B12R1.1686 CCC(C)CCNCC1(CC1)O a376204f1f34fbfc34eaa7fe8fc2291c [0,2,0,1,0,0|1,0,0]=4 42241 B12R1.1686 CCC(C)CCOCC1(CC1)Br e16f312dd8d2324d6958dee49c4dca63 [0,2,0,1,0,0|0,0,0]=3 42242 B12R1.1686 CCC(C)CCOCC1(CC1)C f28822c4332e44b53628a4a525b97922 [0,2,0,1,0,0|0,0,0]=3 42243 B12R1.1686 CCC(C)CCOCC1(CC1)Cl 2831b07342103c5931342ee07f620505 [0,2,0,1,0,0|0,0,0]=3 42244 B12R1.1686 CCC(C)CCOCC1(CC1)F 2e416bca6cf9d1678758e235704f9503 [0,2,0,1,0,0|0,0,0]=3 42245 B12R1.1686 CCC(C)CNCCC1(CC1)O b22014faace4d51a4adc671fe1658ee0 [0,2,0,1,0,0|1,0,0]=4 42246 B12R1.1686 CCC(C)COCCC1(CC1)C 102df71cda99eb201f54edae6742bde4 [0,2,0,1,0,0|0,0,0]=3 42247 B12R1.1686 CCC(O)CNCCC1(CC1)O 14802f01ecb4dffe4f79a4797ff9b537 [0,2,0,1,0,0|1,0,0]=4 42248 B12R1.1686 CCC(S)CCOCC1(CC1)C 35a59192b318966b5fbfbb95d616ffb8 [0,2,0,1,0,0|0,0,0]=3 42249 B12R1.1686 CCC(S)CCOCC1(CC1)F 741f526c83853c0ab9a979bae4c93f80 [0,2,0,1,0,0|0,0,0]=3 42250 B12R1.1686 CCS(=O)CCOCC1(CC1)Br e14723fa810184291f40ce79d5b23e3f [0,2,0,1,0,0|1,0,0]=4 42251 B12R1.1686 CCS(=O)CCOCC1(CC1)C 37c64d1b3d9a07a1daf828212aee443e [0,2,0,1,0,0|1,0,0]=4 42252 B12R1.1686 CCS(=O)CCOCC1(CC1)Cl 6b92bd522aa5d0935f2187e42d2d4c84 [0,2,0,1,0,0|1,0,0]=4 42253 B12R1.1686 CCS(=O)CCOCC1(CC1)F 08d3878aeb0555b9c6833947532403a0 [0,2,0,1,0,0|1,0,0]=4 42254 B12R1.1686 CC[C@@H](C)CNCCC1(CC1)O 1eccb699319a37c2d6664182be4d535d [0,2,0,1,0,0|1,0,0]=4 42255 B12R1.1686 CC[C@@H](C)COCCC1(CC1)C 5246b636f2834cc42c9ba5914b10ef9a [0,2,0,1,0,0|0,0,0]=3 42256 B12R1.1686 CC[C@H](C)CCOCC1(CC1)C b053827d5dc0fd3a22a940d7b716caff [0,2,0,1,0,0|0,0,0]=3 42257 B12R1.1686 CC[C@H](C)CCOCC1(CC1)F 19fb5da08b5865c72d3a1bd381765a41 [0,2,0,1,0,0|0,0,0]=3 42258 B12R1.1686 CC[C@H](C)CNCCC1(CC1)O 006b908d8761a21ab9def416da455991 [0,2,0,1,0,0|1,0,0]=4 42259 B12R1.1686 CC[C@H](C)COCCC1(CC1)C 28f476e4c451a5e85b45b5ecbc06f7c5 [0,2,0,1,0,0|0,0,0]=3 42260 B12R1.1686 COC(C)CCOCC1(CC1)C f1a38757ab8fd89b19b4905b38581df6 [0,2,0,1,0,0|1,0,0]=4 42261 B12R1.1686 COC(C)CCOCC1(CC1)F bfc3ea8a0fcb5a1bdeb69ddb272ca6f8 [0,2,0,1,0,0|1,0,0]=4 42262 B12R1.1686 COC(C)COCCC1(CC1)C 308cb9b8a3b47d62986c90222fa97738 [0,2,0,1,0,0|1,0,0]=4 42263 B12R1.1686 CO[C@@H](C)COCCC1(CC1)C 0926e9a11d610be133768ab6d3b56ce2 [0,2,0,1,0,0|1,0,0]=4 42264 B12R1.1686 CO[C@H](C)COCCC1(CC1)C 53bea5beadc686204837b3e93edd6425 [0,2,0,1,0,0|1,0,0]=4 42265 B12R1.118 C#CC(CC)OC1CCCCO1 e5a6e85450c57f8b43a72fe222248ae2 [0,2,0,1,0,0|1,0,0]=4 42266 B12R1.118 C=CC(CC)OC1CCCCO1 f197127bdad1623742a87d4436d687c2 [0,2,0,1,0,0|1,0,0]=4 42267 B12R1.118 CCC(C#N)OC1CCCCO1 64cf3acaf9664579cf43083601c974e7 [0,2,0,1,0,0|1,0,0]=4 42268 B12R1.118 CCC(C=O)OC1CCCCO1 490b9f0b99884027a61ba5ac38ba7307 [0,2,0,1,0,0|1,0,0]=4 42269 B12R1.118 CCC(CC)NC1CCCCO1 7d0bbf6a40b8478df5c1ff2a08a04623 [0,2,0,1,0,0|1,0,0]=4 42270 B12R1.118 CCC(CC)OC1CCCCO1 d4236b346f52ea62c614cd0e00a68cf3 [0,2,0,1,0,0|1,0,0]=4 42271 B12R1.118 CCC(CO)NC1CCCCO1 d6162a699de1647e6786da1f8f6f2954 [0,2,0,1,0,0|1,0,0]=4 42272 B12R1.118 CC[C@@H](CO)NC1CCCCO1 9144ac9e44922be3fdbdadbe8dd31af7 [0,2,0,1,0,0|1,0,0]=4 42273 B12R1.118 CC[C@H](CO)NC1CCCCO1 f09179c7048cde28844b7c2933e4d8b0 [0,2,0,1,0,0|1,0,0]=4 42274 B12R1.244 BrCC(CBr)COCCC1CC1 48e569dc9cc7c6b93151f866db9f8b75 [0,2,0,1,0,0|1,0,0]=4 42275 B12R1.244 CCC(CC)CCNCC1CC1 efb825e0d627e00a3061f93bd87d53a4 [0,2,0,1,0,0|1,0,0]=4 42276 B12R1.244 CCC(CC)CNCCC1CC1 cdbb046e76d0b59d16d3536f2a686d16 [0,2,0,1,0,0|1,0,0]=4 42277 B12R1.244 CCC(CC)COCCC1CC1 431856895c8c0f42442975e9db6703ad [0,2,0,1,0,0|0,0,0]=3 42278 B12R1.244 CCC(CC)COCCN1CC1 a9fa7d3c9b12f8fd35325420c874f7f2 [0,2,0,1,0,0|1,0,0]=4 42279 B12R1.244 CCC(CO)CNCCC1CC1 5ed785ec969bf5775e7e3a525ea19028 [0,2,0,1,0,0|1,0,0]=4 42280 B12R1.244 CCC(COCCC1CC1)OC 1ae35e1cf157ed6e647c7520b06fed88 [0,2,0,1,0,0|0,0,0]=3 42281 B12R1.244 CCN(CC)CCOCC1CC1 0cd84cdc160311021c7abc5dedec1a39 [0,2,0,1,0,0|1,0,0]=4 42282 B12R1.244 CCN(CC)COCCC1CC1 9983b44f461e190c5553def4c415e7f1 [0,2,0,1,0,0|1,0,0]=4 42283 B12R1.244 COC(CCOCC1CC1)OC 8b76c16057d8e774ea7c44e8be56806c [0,2,0,1,0,0|1,0,0]=4 42284 B12R1.244 COC(COCCC1CC1)OC 576f32386ce042a2dd353a55e392bfbb [0,2,0,1,0,0|1,0,0]=4 42285 B12R1.245 CCC(CC)CN[C@@H]1CC[C@H]1C 4404d972440da6c0d1efa1e060c3b599 [0,2,0,1,0,0|1,0,0]=4 42286 B12R1.245 CCC(CC)CN[C@H]1CC[C@H]1C 49d5e478d03471ba7329972054fc9e85 [0,2,0,1,0,0|1,0,0]=4 42287 B12R1.245 CCC(CC)COC1COC1C b4c2cb30fd1a8849bedeb680ab19ccf3 [0,2,0,1,0,0|1,0,0]=4 42288 B12R1.245 CCC(CO)CN[C@@H]1CC[C@H]1C 1961ac0fbe82b101a27677991cf7cd3a [0,2,0,1,0,0|1,0,0]=4 42289 B12R1.245 CCC(CO)CN[C@H]1CC[C@H]1C 953ea6caef17c8bfd974a6b8c0cc54c2 [0,2,0,1,0,0|1,0,0]=4 42290 B12R1.249 BrCC(CBr)COCC1CCC1 b6e8338fb94284541af473f8f92fd80d [0,2,0,1,0,0|1,0,0]=4 42291 B12R1.249 CCC(CC)CCNC1CCC1 2a1628b584e240d1e7bb672826f6e71e [0,2,0,1,0,0|1,0,0]=4 42292 B12R1.249 CCC(CC)CNCC1CCC1 a2bf1a796bd52d2ffa24fa6561adbe25 [0,2,0,1,0,0|1,0,0]=4 42293 B12R1.249 CCC(CC)COCC1CCC1 aea3fde79d63fcecc9c33fb03e3e77af [0,2,0,1,0,0|0,0,0]=3 42294 B12R1.249 CCC(CC)COCC1CCO1 3d13f5abca6d145fa74104ee8e7c7874 [0,2,0,1,0,0|1,0,0]=4 42295 B12R1.249 CCC(CC)COCC1COC1 2217afd5c86c64748443a0d84c3013d2 [0,2,0,1,0,0|1,0,0]=4 42296 B12R1.249 CCC(CC)COCC1CSC1 5447f579b9b5fbec8413af093ebaca97 [0,2,0,1,0,0|1,0,0]=4 42297 B12R1.249 CCC(CC)COC[C@@H]1CCO1 e316043af33f8479f56c225dc8dd8ae8 [0,2,0,1,0,0|1,0,0]=4 42298 B12R1.249 CCC(CC)COC[C@H]1CCO1 5216b495436000815c42bed2ca957a61 [0,2,0,1,0,0|1,0,0]=4 42299 B12R1.249 CCC(CO)CNCC1CCC1 f2df167b55f7ff7d9d4840551a057836 [0,2,0,1,0,0|1,0,0]=4 42300 B12R1.249 CCC(COCC1CCC1)OC 27e71806394a53486e0d22da2a21e68e [0,2,0,1,0,0|0,0,0]=3 42301 B12R1.249 CCC(COCC1CCO1)OC 660f9804752192c0987701e3ffd5bdaa [0,2,0,1,0,0|1,0,0]=4 42302 B12R1.249 CCC(COCC1COC1)OC 55b34096a8b30ef54bd1fa3e518e43ea [0,2,0,1,0,0|1,0,0]=4 42303 B12R1.249 CCC(COC[C@@H]1CCO1)OC 49caeffbcc8973c9aaec3c95e55e7fd4 [0,2,0,1,0,0|1,0,0]=4 42304 B12R1.249 CCC(COC[C@H]1CCO1)OC 6a6bb417846a0bee77360e69cc24e8ff [0,2,0,1,0,0|1,0,0]=4 42305 B12R1.249 CCN(CC)CCOC1CCC1 cea855b81176cc2a8ad859b25a709df1 [0,2,0,1,0,0|1,0,0]=4 42306 B12R1.249 CCN(CC)COCC1CCC1 b9dbbedf0d8ed458e126de545e772996 [0,2,0,1,0,0|1,0,0]=4 42307 B12R1.249 COC(CCOC1CCC1)OC e2fda626c018d00de5737a8c1295482b [0,2,0,1,0,0|1,0,0]=4 42308 B12R1.249 COC(COCC1CCC1)OC 6d6b6da3c46302bb6ccdbc077630441d [0,2,0,1,0,0|1,0,0]=4 42309 B12R1.251 CCC(CC)CN1CCCC1C fc62e1ab5a6391168cefb43504010e6c [0,2,0,1,0,0|1,0,0]=4 42310 B12R1.251 CCC(CC)CN1CCC[C@@H]1C b2c3ddb312c4b1d1544fc89ae2ac312f [0,2,0,1,0,0|1,0,0]=4 42311 B12R1.251 CCC(CC)CN1CCC[C@H]1C 26591d8ca500ea370965cb28b9719658 [0,2,0,1,0,0|1,0,0]=4 42312 B12R1.251 CCC(CO)CN1CCCC1C 1f1a73863dc6a405f835e5b9ee95f88b [0,2,0,1,0,0|1,0,0]=4 42313 B12R1.251 CCC(CO)CN1CCC[C@@H]1C 66405f739a48b46ec56dea7b0ed10cb1 [0,2,0,1,0,0|1,0,0]=4 42314 B12R1.251 CCC(CO)CN1CCC[C@H]1C cf44762137d74443a4d8ee45e3b224dc [0,2,0,1,0,0|1,0,0]=4 42315 B12R1.297 BrCC(CBr)COC1CCCC1 e762bf70ecd47fd2310989a10f74afd6 [0,2,0,1,0,0|1,0,0]=4 42316 B12R1.297 CCC(CC)CNC1CCCC1 32bf7d4fdfb688d9369ed336add91aac [0,2,0,1,0,0|1,0,0]=4 42317 B12R1.297 CCC(CC)COC1CCCC1 3d5852ac289e7e50f2e32c9c940e3d6b [0,2,0,1,0,0|0,0,0]=3 42318 B12R1.297 CCC(CC)COC1CCCO1 7f1f2bf785e1d52301b549ddda9a0465 [0,2,0,1,0,0|1,0,0]=4 42319 B12R1.297 CCC(CC)COC1CCOC1 494050ac0825c4c16142321e03286f25 [0,2,0,1,0,0|1,0,0]=4 42320 B12R1.297 CCC(CC)COC1CCSC1 3646f0dbfcb2c63e7520acb2742468cb [0,2,0,1,0,0|1,0,0]=4 42321 B12R1.297 CCC(CC)CO[C@@H]1CCOC1 7618629e5dc3367d8c31efea160f1837 [0,2,0,1,0,0|1,0,0]=4 42322 B12R1.297 CCC(CC)CO[C@@H]1CCSC1 4f94f143bb927c4d41aa5e23e122c010 [0,2,0,1,0,0|1,0,0]=4 42323 B12R1.297 CCC(CC)CO[C@H]1CCOC1 077361135d89ae80dea387d054800574 [0,2,0,1,0,0|1,0,0]=4 42324 B12R1.297 CCC(CC)CO[C@H]1CCSC1 e4077a5879e6a2f9629b32894fa519d2 [0,2,0,1,0,0|1,0,0]=4 42325 B12R1.297 CCC(CO)CNC1CCCC1 7330087e648e7217352d15f8526d1025 [0,2,0,1,0,0|1,0,0]=4 42326 B12R1.297 CCC(COC1CCCC1)OC a7e6a7324f31cd12abc2826f33fd6062 [0,2,0,1,0,0|0,0,0]=3 42327 B12R1.297 CCC(COC1CCOC1)OC d99e2fadf12090ad8c63b5be8b603a15 [0,2,0,1,0,0|1,0,0]=4 42328 B12R1.297 CCC(CO[C@@H]1CCOC1)OC 00a5533052b48acb9aea4a34175df187 [0,2,0,1,0,0|1,0,0]=4 42329 B12R1.297 CCC(CO[C@H]1CCOC1)OC 220347c9d2cb635927a459cf5987189d [0,2,0,1,0,0|1,0,0]=4 42330 B12R1.297 CCN(CC)COC1CCCC1 68835d3042770248244cd432bced0298 [0,2,0,1,0,0|1,0,0]=4 42331 B12R1.297 COC(COC1CCCC1)OC f1bbb3752b96c885faaed22570072d0e [0,2,0,1,0,0|1,0,0]=4 42332 B12R1.338 CCCCN1CCC(C1C)CO 1b41f986171b415982fb53d79165eaf3 [0,2,0,1,0,0|1,0,0]=4 42333 B12R1.338 CCCCN1CC[C@@H]([C@@H]1C)CO cf3182dbc8a9d53b900d942c10342e4e [0,2,0,1,0,0|1,0,0]=4 42334 B12R1.338 CCCCN1CC[C@H]([C@@H]1C)CO 518d7e72395c31bfeea6689cc07553db [0,2,0,1,0,0|1,0,0]=4 42335 B12R1.403 CCC(CC)CN1CCC1CC 004c2c949564646b9fd57da7992af30e [0,2,0,1,0,0|1,0,0]=4 42336 B12R1.403 CCC(CO)CN1CCC1CC b45dd0fbc48c2ba0220edf53dc928dc8 [0,2,0,1,0,0|1,0,0]=4 42337 B12R1.1533 CCC(CC)COCC1CC1C 0edd723679d85916239253b930572737 [0,2,0,1,0,0|0,0,0]=3 42338 B12R1.1533 CCC(CC)COC[C@@H]1C[C@@H]1C 1e2aced425ff263c93ef57106770e916 [0,2,0,1,0,0|0,0,0]=3 42339 B12R1.1533 CCC(CC)COC[C@@H]1C[C@@H]1F 78137a09425752a678132906fc2916f8 [0,2,0,1,0,0|1,0,0]=4 42340 B12R1.1533 CCC(CC)COC[C@@H]1C[C@H]1C 047b2a13421919c33c3ff3eeb79c3098 [0,2,0,1,0,0|0,0,0]=3 42341 B12R1.1533 CCC(CC)COC[C@@H]1C[C@H]1F 0791bc3c9582a4754b0d29247333b9cd [0,2,0,1,0,0|1,0,0]=4 42342 B12R1.1533 CCC(CC)COC[C@H]1C[C@@H]1C aa238413717d30ddcb891dc07004b572 [0,2,0,1,0,0|0,0,0]=3 42343 B12R1.1533 CCC(CC)COC[C@H]1C[C@@H]1F f33263c6fa5a5774df444461dce9f4d9 [0,2,0,1,0,0|1,0,0]=4 42344 B12R1.1533 CCC(CC)COC[C@H]1C[C@H]1F bfe86d0757257024c7da783337f94433 [0,2,0,1,0,0|1,0,0]=4 42345 B12R1.1533 COC(COCC1CC1C)OC 0fd6c0f938fd27ee40b17ff50e18928d [0,2,0,1,0,0|1,0,0]=4 42346 B12R1.1533 COC(COC[C@@H]1C[C@@H]1C)OC 831fdc75d3cdde5ae6d74b620ef8bad6 [0,2,0,1,0,0|1,0,0]=4 42347 B12R1.1533 COC(COC[C@@H]1C[C@H]1C)OC ed0232af22642608daf4f8f969ab075f [0,2,0,1,0,0|1,0,0]=4 42348 B12R1.1533 COC(COC[C@H]1C[C@@H]1C)OC a029fe2c6ee5af8aa2d2ce3b9565c601 [0,2,0,1,0,0|1,0,0]=4 42349 B12R1.15 CCC(C)CN(C)C1CCCC1 433a120287974275e5e37c67e989c0a7 [0,2,0,1,0,0|1,0,0]=4 42350 B12R1.15 CCC(O)CN(C)C1CCCC1 ef1b5d5d39239a0c9dd1186606c8e6e9 [0,2,0,1,0,0|1,0,0]=4 42351 B12R1.15 CC[C@@H](C)CN(C)C1CCCC1 e41b6dcb3f3c59a52027868442393dfd [0,2,0,1,0,0|1,0,0]=4 42352 B12R1.15 CC[C@H](C)CN(C)C1CCCC1 b2f3405cca0b1bb2387d8e14a3acc710 [0,2,0,1,0,0|1,0,0]=4 42353 B12R1.304 CCC(C)CC(C)NC1CCC1 6d81398f915a306a66529b5e6d3c5af7 [0,2,0,1,0,0|1,0,0]=4 42354 B12R1.304 CCC(C)CN(C)CC1CCC1 53cd7e2a29d886a13bd790864fee3e65 [0,2,0,1,0,0|1,0,0]=4 42355 B12R1.304 CCC(O)CN(C)CC1CCC1 4c203117259dc42233e3c9564654193c [0,2,0,1,0,0|1,0,0]=4 42356 B12R1.304 CC[C@@H](C)CN(C)CC1CCC1 c3f8b8f8fa6f5f41d65b8d9ba6d12a18 [0,2,0,1,0,0|1,0,0]=4 42357 B12R1.304 CC[C@H](C)CN(C)CC1CCC1 4ff194ea7309248c287168524c8816b9 [0,2,0,1,0,0|1,0,0]=4 42358 B12R1.304 COC(C)CC(C)OC1CCC1 98a40dc013c9e304199abc8c30bd138d [0,2,0,1,0,0|1,0,0]=4 42359 B12R1.305 CCC(C)CC(C)NCC1CC1 84106a640aab1ce62bc9fa4d7f294e39 [0,2,0,1,0,0|1,0,0]=4 42360 B12R1.305 CCC(O)CN(C)CCC1CC1 b6ff2b3e16e8809bc7e59aef59ebf920 [0,2,0,1,0,0|1,0,0]=4 42361 B12R1.305 COC(C)CC(C)OCC1CC1 1cba0913a405803f7d5806dafd756e71 [0,2,0,1,0,0|1,0,0]=4 42362 B12R1.900 CCCCCN(C)CC1(CC1)C 8fa9c960b26cb5fb7e2aec2a8f05d6a4 [0,2,0,1,0,0|1,0,0]=4 42363 B12R1.900 CCCCCN(C)CC1(CC1)F 59f89bdf9bef2e8729a674d775333347 [0,2,0,1,0,0|1,0,0]=4 42364 B12R1.912 CCCCC(C)N(C)C1CCC1 015fa848acf8aab5eda352d124ae731e [0,2,0,1,0,0|1,0,0]=4 42365 B12R1.914 CCCCC(C)N(C)CC1CC1 48e6f859c5cbc5682b9fc8845f2d8de0 [0,2,0,1,0,0|1,0,0]=4 42366 B12R1.36 CCCCN(CC)C1CCCC1 f101e2124f3b5591c5102706b3fb8225 [0,2,0,1,0,0|1,0,0]=4 42367 B12R1.78 CC[C@@H]1CO[C@@H](CN1CC)CO 85606ec3e47df76b520e09ec3bb42791 [0,2,0,1,0,0|1,0,0]=4 42368 B12R1.500 CCCCC(CC)NC1CC1C fab0e0e4b919b84f9c881d28c992f256 [0,2,0,1,0,0|1,0,0]=4 42369 B12R1.500 CCCCC(CO)NC1CC1C 9f2ee0dcd8a9b16fc9fc3c2c8218fe98 [0,2,0,1,0,0|1,0,0]=4 42370 B12R1.501 C#CC(CCCC)OC1CCC1 aa4cc8dce281bb090e91cedbfe06b873 [0,2,0,1,0,0|0,0,0]=3 42371 B12R1.501 C#CC(CCCC)OC1COC1 071556d2900f43b018352a5c86000d9e [0,2,0,1,0,0|1,0,0]=4 42372 B12R1.501 C=CC(CCCC)OC1CCC1 ea739e848a4ceec016cb4b2020421971 [0,2,0,1,0,0|0,0,0]=3 42373 B12R1.501 C=CC(CCCC)OC1COC1 380a82d28b3f5a6eda613ec06a2e022b [0,2,0,1,0,0|1,0,0]=4 42374 B12R1.501 CCCCC(CC)NC1CCC1 5ee7ede62112d5ffb4cfd10d9b0e0f64 [0,2,0,1,0,0|1,0,0]=4 42375 B12R1.501 CCCCC(CC)OC1CCC1 4501900d2f843a4e2d2af96becb985c9 [0,2,0,1,0,0|0,0,0]=3 42376 B12R1.501 CCCCC(CC)OC1COC1 7d2afc017bc617790a96d9aea874dc87 [0,2,0,1,0,0|1,0,0]=4 42377 B12R1.501 CCCCC(CC)OC1CSC1 2c0e869f41b2527ed6743e54684b3981 [0,2,0,1,0,0|1,0,0]=4 42378 B12R1.501 CCCCC(CO)NC1CCC1 45cef19f2d04928ba99ee4b0c20eebb5 [0,2,0,1,0,0|1,0,0]=4 42379 B12R1.501 CCCCN(CC)CC1CCC1 4ecaf93158373e7e7a7c301c67f90914 [0,2,0,1,0,0|1,0,0]=4 42380 B12R1.501 CCCC[C@@H](CO)NC1CCC1 83fb19848e6055f0e2bf87b091e22b49 [0,2,0,1,0,0|1,0,0]=4 42381 B12R1.501 CCCC[C@H](CO)NC1CCC1 60e31c34dce8dc1940285ba79515f37e [0,2,0,1,0,0|1,0,0]=4 42382 B12R1.502 C#CC(CCCC)OCC1CC1 525fb4da1b212d51d7d4ceda45554e35 [0,2,0,1,0,0|0,0,0]=3 42383 B12R1.502 C=CC(CCCC)OCC1CC1 184ee33345a6c63951941d2e5eb1ca29 [0,2,0,1,0,0|0,0,0]=3 42384 B12R1.502 CCCCC(CC)NCC1CC1 2ac2c7ce123afd62853a35b62c428f7c [0,2,0,1,0,0|1,0,0]=4 42385 B12R1.502 CCCCC(CC)OCC1CC1 c6262071ee89161a0de8923def07b059 [0,2,0,1,0,0|0,0,0]=3 42386 B12R1.502 CCCCC(CO)NCC1CC1 5a6f5264dee3f68242dbafd50576d5d1 [0,2,0,1,0,0|1,0,0]=4 42387 B12R1.502 CCCCN(CC)CCC1CC1 26c22a446b7ce3d95013abe53ed1220e [0,2,0,1,0,0|1,0,0]=4 42388 B12R1.502 CCCC[C@@H](CO)NCC1CC1 f64168fe5c8109d94c2a2ac83b858739 [0,2,0,1,0,0|1,0,0]=4 42389 B12R1.502 CCCC[C@H](CO)NCC1CC1 1a458cfa5de4bbb94906125175948da6 [0,2,0,1,0,0|1,0,0]=4 42390 B12R1.2139 CCCCCN(CC)C1CCC1 091f28121d6690d5be2e12ebdab5f0d2 [0,2,0,1,0,0|1,0,0]=4 42391 B12R1.2139 CCCCNC(C#N)C1CCC1 ee6327f6113b47705715f232d5a9093f [0,2,0,1,0,0|1,0,0]=4 42392 B12R1.2139 CCCCN[C@H](CO)C1CCC1 83298daf59fc5ebbfab6f295d8315e25 [0,2,0,1,0,0|1,0,0]=4 42393 B12R1.2139 CCCCOC(CC)C1COC1 2e4155396ab7a7ecaf386ea56f9f26f3 [0,2,0,1,0,0|1,0,0]=4 42394 B12R1.2140 CCCCCN(CC)CC1CC1 4c69c3e9b6466a98b04662e2a3f7c0f0 [0,2,0,1,0,0|1,0,0]=4 42395 B12R1.3206 CCCCNC1(CCCC1)C#N 45b2f380e431b4788a437dd42a573be7 [0,2,0,1,0,0|1,0,0]=4 42396 B12R1.3206 CCCCNC1(CCCC1)CO d729b204090ea63c43e0ca4ade1937d6 [0,2,0,1,0,0|1,0,0]=4 42397 B12R1.581 CCCCNC(C)(C)C1CCC1 305a7bf1dfd28be92f14de08c0866499 [0,2,0,1,0,0|1,0,0]=4 42398 B12R2.2 C1CCC(C1)N2CCCOC2 7145a81d03579b5c222099146d9c4382 [0,1,0,2,0,0|1,0,0]=4 42399 B12R2.2 C1CCC(C1)N2CCCSC2 0624053e1265952329f205e3695167bb [0,1,0,2,0,0|1,0,0]=4 42400 B12R2.2 C1CCC(C1)N2CCOCC2 1e223927db3d7cd27ce22bf563073fb6 [0,1,0,2,0,0|1,0,0]=4 42401 B12R2.2 C1CCC(C1)N2CCSCC2 18829dec701c8cbc3a9a5e5db64c5873 [0,1,0,2,0,0|1,0,0]=4 42402 B12R2.2 C1CCC(OC1)N2CCSC2 63f5e1367a973a388eed80fbfd1d33c4 [0,1,0,2,0,0|1,0,0]=4 42403 B12R2.4 CCN1CCCC12CCCC2 d4fa93cc33865a4b321d0cfdc144533c [0,1,0,2,0,0|1,0,0]=4 42404 B12R2.10 CC1CCCN1C2CCOC2 faedc07fff73cd21b2c7a1c8b5f95041 [0,1,0,2,0,0|1,0,0]=4 42405 B12R2.10 C[C@@H]1CCCN1C2CCOC2 5da17615e16409c72a920f647c9484e5 [0,1,0,2,0,0|1,0,0]=4 42406 B12R2.10 C[C@H]1CCCN1C2CCOC2 152d32ef733fe244183d3df5e223a81e [0,1,0,2,0,0|1,0,0]=4 42407 B12R2.12 CC1OCC1NC2CCCC2 84e1a6c6bf074a306c867ef87af65557 [0,1,0,2,0,0|1,0,0]=4 42408 B12R2.12 CC1OCC1OC2CCCC2 48ad60934d814705d20a7c53fe8dfe6b [0,1,0,2,0,0|0,0,0]=3 42409 B12R2.12 CC1OCC1OC2CCOC2 4a7e4b7ca3a0e1454c134cacccf01fe6 [0,1,0,2,0,0|1,0,0]=4 42410 B12R2.12 CC1OCC1O[C@@H]2CCOC2 85c4173af28f2e815b0a2a2dbe81a847 [0,1,0,2,0,0|1,0,0]=4 42411 B12R2.12 CC1OCC1O[C@H]2CCOC2 2d9d6d56df8753f6e1d2c1d5b221f8e0 [0,1,0,2,0,0|1,0,0]=4 42412 B12R2.12 C[C@@H]1CC[C@@H]1NC2CCCC2 a03446ef7687aa40dde27da48bb9f575 [0,1,0,2,0,0|1,0,0]=4 42413 B12R2.12 C[C@@H]1CC[C@@H]1NC2CCOC2 6083a549562e7bc44d03278a48b873c7 [0,1,0,2,0,0|1,0,0]=4 42414 B12R2.12 C[C@@H]1CC[C@@H]1N[C@@H]2CCOC2 16e0abb9b0dd8083522a6989f4534e7b [0,1,0,2,0,0|1,0,0]=4 42415 B12R2.12 C[C@@H]1CC[C@@H]1N[C@H]2CCOC2 8c3821d27952d2d62a940dc971e6fddb [0,1,0,2,0,0|1,0,0]=4 42416 B12R2.12 C[C@@H]1CC[C@H]1NC2CCCC2 69a96f4de8bf415b00d51c835da29af4 [0,1,0,2,0,0|1,0,0]=4 42417 B12R2.12 C[C@@H]1CC[C@H]1NC2CCOC2 eb7c0eae51bf91786f233e56c8222a99 [0,1,0,2,0,0|1,0,0]=4 42418 B12R2.12 C[C@@H]1CC[C@H]1N[C@@H]2CCOC2 30bedd9ac231e6efd7e3d3f773dc029a [0,1,0,2,0,0|1,0,0]=4 42419 B12R2.12 C[C@@H]1CC[C@H]1N[C@H]2CCOC2 cb237faf6fc1df4544587823214ff1d8 [0,1,0,2,0,0|1,0,0]=4 42420 B12R2.12 FC1CCC1NC2CCCC2 7ee66a08fa45ce949e60c3d94e5c7a71 [0,1,0,2,0,0|1,0,0]=4 42421 B12R2.12 O=C1CCC1OC2CCCC2 8aaa785dd1ff622db91d38f502b9fd41 [0,1,0,2,0,0|0,0,1]=4 42422 B12R2.12 OC1CCC1NC2CCCC2 b325d393a1daf218a2d525b8f79c7b65 [0,1,0,2,0,0|1,0,0]=4 42423 B12R2.12 O[C@@H]1CC[C@@H]1NC2CCCC2 337b6678486d20bf75edf0121c8f3134 [0,1,0,2,0,0|1,0,0]=4 42424 B12R2.12 O[C@@H]1CC[C@H]1NC2CCCC2 17a49e942dd33c9fd53a44fdd5708863 [0,1,0,2,0,0|1,0,0]=4 42425 B12R2.12 O[C@H]1CC[C@@H]1NC2CCCC2 d21a5200b6d6ac4f50eeeaa20924ca49 [0,1,0,2,0,0|1,0,0]=4 42426 B12R2.12 O[C@H]1CC[C@H]1NC2CCCC2 8617935e53be45addfc0a831ebcf2216 [0,1,0,2,0,0|1,0,0]=4 42427 B12R2.15 CCCN1CCC12CCCC2 c4e8062c7b9daaad36bc158336ac1fc2 [0,1,0,2,0,0|1,0,0]=4 42428 B12R2.15 CCNC1CCC12CCCC2 902e3718ad61235baeb4858ced774c45 [0,1,0,2,0,0|1,0,0]=4 42429 B12R2.15 CCOC1CCC12CCCC2 37f109b6c5a6d40f28bc6f97f0b9a0ea [0,1,0,2,0,0|1,0,0]=4 42430 B12R2.20 C=C1CC1COC2CCCC2 cdc13194109e7694d010f28f99e555f9 [0,1,0,2,0,0|0,0,1]=4 42431 B12R2.20 CC1CC1COC2CCCC2 f3ff212e59543dcc54074e11f9d7e0bf [0,1,0,2,0,0|0,0,0]=3 42432 B12R2.20 CC1CC1COC2CCOC2 73a7ea5d46f0da5801fef9efa6e57767 [0,1,0,2,0,0|0,0,0]=3 42433 B12R2.20 CC1CC1CO[C@@H]2CCOC2 d8a85f64c3d5d14987a796ec88bd9369 [0,1,0,2,0,0|0,0,0]=3 42434 B12R2.20 CC1CC1CO[C@H]2CCOC2 2fef77c97bf964c060bdd4de1a654031 [0,1,0,2,0,0|0,0,0]=3 42435 B12R2.20 CC1CC1NCC2CCCC2 3aaa2f4c152170b3c703208480154d01 [0,1,0,2,0,0|1,0,0]=4 42436 B12R2.20 CC1CC1NCC2CCCO2 701b4baf6085255fa15e380cefb0d8af [0,1,0,2,0,0|1,0,0]=4 42437 B12R2.20 CC1CC1NCC2CCOC2 eab6193c4c46347a330dba1b9ce94cc3 [0,1,0,2,0,0|1,0,0]=4 42438 B12R2.20 C[C@@H]1C[C@H]1COC2CCCC2 e001cae9aa4e40a32fbbe5e33657d396 [0,1,0,2,0,0|0,0,0]=3 42439 B12R2.20 C[C@@H]1C[C@H]1COC2CCOC2 f735885db15b544e6f157c891dccfb4d [0,1,0,2,0,0|0,0,0]=3 42440 B12R2.20 C[C@@H]1C[C@H]1CO[C@@H]2CCOC2 df771a6bd50cd77ffbf309b0bcfcee46 [0,1,0,2,0,0|0,0,0]=3 42441 B12R2.20 C[C@@H]1C[C@H]1CO[C@H]2CCOC2 2899028108f0f64031b81cb241ea26db [0,1,0,2,0,0|0,0,0]=3 42442 B12R2.20 C[C@H]1C[C@@H]1COC2CCCC2 af5cc183a0963d0c55fd2d2b10f627d7 [0,1,0,2,0,0|0,0,0]=3 42443 B12R2.20 C[C@H]1C[C@@H]1COC2CCOC2 5f2cb0cf04c131e38f425937f3f46f9e [0,1,0,2,0,0|0,0,0]=3 42444 B12R2.20 C[C@H]1C[C@@H]1CO[C@@H]2CCOC2 3a0669801770590572cc3f7aead3fc0c [0,1,0,2,0,0|0,0,0]=3 42445 B12R2.20 C[C@H]1C[C@@H]1CO[C@H]2CCOC2 34531baace17778189fbd92a30d2364c [0,1,0,2,0,0|0,0,0]=3 42446 B12R2.20 C[C@H]1C[C@H]1COC2CCCC2 7346c8f3bb5985e5ee6f297c341c4a85 [0,1,0,2,0,0|0,0,0]=3 42447 B12R2.20 C[C@H]1C[C@H]1COC2CCOC2 8fd1a42a12921ba34b493a376a08d52c [0,1,0,2,0,0|0,0,0]=3 42448 B12R2.20 C[C@H]1C[C@H]1CO[C@@H]2CCOC2 70a6697c17f18857a38cd01fc1d99b4c [0,1,0,2,0,0|0,0,0]=3 42449 B12R2.20 C[C@H]1C[C@H]1CO[C@H]2CCOC2 fa4b6ee65bbdbecbf5d589d20d461e3e [0,1,0,2,0,0|0,0,0]=3 42450 B12R2.20 F[C@@H]1C[C@@H]1COC2CCCC2 6c9f5ea388db08c55ac1f5605c6955db [0,1,0,2,0,0|0,0,0]=3 42451 B12R2.20 F[C@@H]1C[C@@H]1COC2CCOC2 d2a95a9ba4d505817403f2de04e9249a [0,1,0,2,0,0|1,0,0]=4 42452 B12R2.20 F[C@@H]1C[C@@H]1CO[C@@H]2CCOC2 8298d5989e60f813ca3d0845d28a28eb [0,1,0,2,0,0|1,0,0]=4 42453 B12R2.20 F[C@@H]1C[C@@H]1CO[C@H]2CCOC2 5cd56d041c53b7c59c02ce22869b0cbf [0,1,0,2,0,0|1,0,0]=4 42454 B12R2.20 F[C@@H]1C[C@H]1COC2CCCC2 ac33624f53e7ec7dbeb2e3a479189558 [0,1,0,2,0,0|0,0,0]=3 42455 B12R2.20 F[C@@H]1C[C@H]1COC2CCOC2 42351f2ffb7c559124b9805b9551e574 [0,1,0,2,0,0|1,0,0]=4 42456 B12R2.20 F[C@@H]1C[C@H]1CO[C@@H]2CCOC2 e516e8b4bb02c6c764f02f84dffb6689 [0,1,0,2,0,0|1,0,0]=4 42457 B12R2.20 F[C@@H]1C[C@H]1CO[C@H]2CCOC2 6a693b8ad8e4821e0d916fc65b90e08c [0,1,0,2,0,0|1,0,0]=4 42458 B12R2.20 F[C@H]1C[C@@H]1COC2CCCC2 e6fd1a3cbc4b5fb2fb5e4797fda50c57 [0,1,0,2,0,0|0,0,0]=3 42459 B12R2.20 F[C@H]1C[C@@H]1COC2CCOC2 8be2153baaa5d9ed8eeac76d90217e73 [0,1,0,2,0,0|1,0,0]=4 42460 B12R2.20 F[C@H]1C[C@@H]1CO[C@@H]2CCOC2 f29d44ae91f291339af36ec627d4f71c [0,1,0,2,0,0|1,0,0]=4 42461 B12R2.20 F[C@H]1C[C@@H]1CO[C@H]2CCOC2 8615eb28a567c334c71e88119a4b51e9 [0,1,0,2,0,0|1,0,0]=4 42462 B12R2.20 F[C@H]1C[C@H]1COC2CCCC2 5d40a2a0d87dd5ab696840b322d485fa [0,1,0,2,0,0|0,0,0]=3 42463 B12R2.20 F[C@H]1C[C@H]1COC2CCOC2 7bb50af10cc353bb9a3a0b235e08be44 [0,1,0,2,0,0|1,0,0]=4 42464 B12R2.20 F[C@H]1C[C@H]1CO[C@@H]2CCOC2 afdb0c938b6f6869e227f8d6d2f9f81d [0,1,0,2,0,0|1,0,0]=4 42465 B12R2.20 F[C@H]1C[C@H]1CO[C@H]2CCOC2 bd95cf46748d9398654988bebff0de38 [0,1,0,2,0,0|1,0,0]=4 42466 B12R2.25 CCCNC1CC12CCCC2 15883dbd43366df5999f32d90fdb5449 [0,1,0,2,0,0|1,0,0]=4 42467 B12R2.25 CCOCC1CC12CCCC2 cfb7b080cffcce0f9fd0165f1aa1b787 [0,1,0,2,0,0|1,0,0]=4 42468 B12R2.28 CCC1CCN1C2CCOC2 b9502b773ae35c4a26e7652e737b5646 [0,1,0,2,0,0|1,0,0]=4 42469 B12R2.28 CCC1CCN1[C@@H]2CCOC2 3a4ef588bfdf443c0c4d41ac628a3e1d [0,1,0,2,0,0|1,0,0]=4 42470 B12R2.28 CCC1CCN1[C@H]2CCOC2 dd429f3372b08ec10b2fdcf4944a248b [0,1,0,2,0,0|1,0,0]=4 42471 B12R2.33 CO[C@H]1C[C@H]1NC2CCCC2 3e69ecef834763037f1d6f3033930e1d [0,1,0,2,0,0|1,0,0]=4 42472 B12R2.33 O=CC1CC1OC2CCCC2 57f89491740a5017b46878f392b50ed4 [0,1,0,2,0,0|0,0,1]=4 42473 B12R2.33 OC[C@@H]1C[C@@H]1NC2CCCC2 5dc593b517509e647a9f9c2d5c58be2e [0,1,0,2,0,0|1,0,0]=4 42474 B12R2.33 OC[C@@H]1C[C@H]1NC2CCCC2 a40bdefbd9b68b737378be0865efc1f1 [0,1,0,2,0,0|1,0,0]=4 42475 B12R2.33 OC[C@H]1C[C@@H]1NC2CCCC2 8f2f130f29ac99c9b237ec68b2ae66e7 [0,1,0,2,0,0|1,0,0]=4 42476 B12R2.98 C1=CC(CC1)OC2CCCC2 78d5d5433572c990f417aa2ece025719 [0,1,0,2,0,0|0,0,1]=4 42477 B12R2.98 C1=CCC(C1)OC2CCCC2 67627099433978d7a5189d4450d9bc6b [0,1,0,2,0,0|0,0,1]=4 42478 B12R2.98 C1CC(CO1)OC2CCOC2 ef16a8add0e7260e6947e2814798a508 [0,1,0,2,0,0|1,0,0]=4 42479 B12R2.98 C1CC(CO1)OC2CCSC2 d51daf4d9d80f972d6ddeadd7400c107 [0,1,0,2,0,0|1,0,0]=4 42480 B12R2.98 C1CC(CO1)O[C@@H]2CCOC2 9f26378ed41f039d5b68b18c1c512471 [0,1,0,2,0,0|1,0,0]=4 42481 B12R2.98 C1CC(CO1)O[C@@H]2CCSC2 b0270be1fbd69df6cab0e5721eafb628 [0,1,0,2,0,0|1,0,0]=4 42482 B12R2.98 C1CC(CO1)O[C@H]2CCOC2 a9d510a844930ddfffe8dd8851d86cc7 [0,1,0,2,0,0|1,0,0]=4 42483 B12R2.98 C1CC(CO1)O[C@H]2CCSC2 c9333d70136397315c335bd1640a9daa [0,1,0,2,0,0|1,0,0]=4 42484 B12R2.98 C1CCC(C1)NC2CCCC2 833a463910220b9d19fe9923ea2ac868 [0,1,0,2,0,0|1,0,0]=4 42485 B12R2.98 C1CCC(C1)NC2CCOC2 7f42de349c56b1adc9ce17363cebd161 [0,1,0,2,0,0|1,0,0]=4 42486 B12R2.98 C1CCC(C1)NC2CCSC2 bc7afd955387b0e591fe05e965324805 [0,1,0,2,0,0|1,0,0]=4 42487 B12R2.98 C1CCC(C1)N[C@@H]2CCOC2 ff36616abe32addc569fd80bcf22b678 [0,1,0,2,0,0|1,0,0]=4 42488 B12R2.98 C1CCC(C1)N[C@H]2CCOC2 86a11eb6c91cd36b2824a183efb6df87 [0,1,0,2,0,0|1,0,0]=4 42489 B12R2.98 C1CCC(C1)OC2CCCC2 b4879132dc2d62d981ce8a7b99bc6129 [0,1,0,2,0,0|0,0,0]=3 42490 B12R2.98 C1CCC(C1)OC2CCCO2 06bc1f3e4df62a7759e58e6bf7aa7486 [0,1,0,2,0,0|0,0,0]=3 42491 B12R2.98 C1CCC(C1)OC2CCOC2 b56f167f3dcb8faffa99e7f3186d050b [0,1,0,2,0,0|0,0,0]=3 42492 B12R2.98 C1CCC(C1)OC2CCSC2 d273fca5cf9b26a12495b17bb245d65f [0,1,0,2,0,0|0,0,0]=3 42493 B12R2.98 C1CCC(C1)O[C@@H]2CCOC2 12c4aa40b89da7f4d0aba2828c541763 [0,1,0,2,0,0|0,0,0]=3 42494 B12R2.98 C1CCC(C1)O[C@@H]2CCSC2 ace222cf68e057080797a079b20ada29 [0,1,0,2,0,0|0,0,0]=3 42495 B12R2.98 C1CCC(C1)O[C@H]2CCOC2 d20b9390e5dae5f71851055d05512509 [0,1,0,2,0,0|0,0,0]=3 42496 B12R2.98 C1CCC(C1)O[C@H]2CCSC2 70ad425688cb6bcd14d75fe9ee5d651d [0,1,0,2,0,0|0,0,0]=3 42497 B12R2.98 C1COC(C1)OC2CCOC2 95f38434ac2dccd394400bf6291f7fea [0,1,0,2,0,0|1,0,0]=4 42498 B12R2.98 C1COC(C1)O[C@@H]2CCOC2 b7cc02d888353d3ea8a74dec0aff6df7 [0,1,0,2,0,0|1,0,0]=4 42499 B12R2.98 C1COC(C1)O[C@H]2CCOC2 f422e6666923d5d073bad41c88ebd1b9 [0,1,0,2,0,0|1,0,0]=4 42500 B12R2.98 C1C[C@@H](CO1)OC2CCSC2 a987fc7e6baa7f86df52185503572adc [0,1,0,2,0,0|1,0,0]=4 42501 B12R2.98 C1C[C@@H](CO1)O[C@@H]2CCSC2 fbd34f8f3275b13c897928afa9e65b49 [0,1,0,2,0,0|1,0,0]=4 42502 B12R2.98 C1C[C@@H](CO1)O[C@H]2CCOC2 6471f80e67eaf46ebb2fd9f4877f1cc0 [0,1,0,2,0,0|1,0,0]=4 42503 B12R2.98 C1C[C@@H](CO1)O[C@H]2CCSC2 05761e5874df886642ef3ed87de3918b [0,1,0,2,0,0|1,0,0]=4 42504 B12R2.98 C1C[C@H](CO1)OC2CCSC2 15a87f861b62a33a7880af089628c3bb [0,1,0,2,0,0|1,0,0]=4 42505 B12R2.98 C1C[C@H](CO1)O[C@@H]2CCOC2 35d0c8830e03cd6a78d5d1f42937545a [0,1,0,2,0,0|1,0,0]=4 42506 B12R2.98 C1C[C@H](CO1)O[C@@H]2CCSC2 e5da9aaeef1ef0ed23a695fa7847789e [0,1,0,2,0,0|1,0,0]=4 42507 B12R2.98 C1C[C@H](CO1)O[C@H]2CCOC2 25095192985bb19cf34afc68ed0859ae [0,1,0,2,0,0|1,0,0]=4 42508 B12R2.98 C1C[C@H](CO1)O[C@H]2CCSC2 701ce4039aefea7927e775a931066c33 [0,1,0,2,0,0|1,0,0]=4 42509 B12R2.144 CCNC1CCC2C1COC2 b68a40eec35cb8adf825de6b8b293837 [0,1,0,2,0,0|0,0,0]=3 42510 B12R2.144 CCNC1CCN2C1CCC2 a9f8222715ccd4512b6e8f0b498b0e10 [0,1,0,2,0,0|1,0,0]=4 42511 B12R2.144 CCNC1CCN2[C@@H]1CCC2 da3f6c6157dcd29c6db256e7d0403234 [0,1,0,2,0,0|1,0,0]=4 42512 B12R2.144 CCN[C@@H]1CC[C@@H]2[C@H]1CCC2 35957c9a8aa637770da06613565a93aa [0,1,0,2,0,0|1,0,0]=4 42513 B12R2.144 CCN[C@@H]1CO[C@@H]2[C@H]1CCO2 4ef9b436df81a547c98470e0a5b9df3d [0,1,0,2,0,0|1,0,0]=4 42514 B12R2.144 CCN[C@H]1CC[C@H]2[C@@H]1CCC2 e6ee623734727e41001d19e50f6e8777 [0,1,0,2,0,0|1,0,0]=4 42515 B12R2.144 CCN[C@H]1CO[C@@H]2[C@H]1CCO2 7cfd327df22c353cb4391f42fc67dc8a [0,1,0,2,0,0|1,0,0]=4 42516 B12R2.144 CCOC1CCN2C1CCC2 74f06f290ef3166d4009bd8b3e14e997 [0,1,0,2,0,0|1,0,0]=4 42517 B12R2.144 CCOC1COC2C1CCO2 55776ba72e626d1b66bb182bc5d95fdf [0,1,0,2,0,0|1,0,0]=4 42518 B12R2.144 CCO[C@@H]1CCN2[C@@H]1CCC2 914a17742ebb016022193a36f5369e39 [0,1,0,2,0,0|1,0,0]=4 42519 B12R2.144 CCO[C@@H]1CC[C@H]2[C@@H]1COC2 11977fa596e1f450b2d82b2738be717b [0,1,0,2,0,0|0,0,0]=3 42520 B12R2.144 CCO[C@@H]1CO[C@H]2[C@@H]1OCC2 08e9097b0974e1b7bb9caeedf933085d [0,1,0,2,0,0|1,0,0]=4 42521 B12R2.144 CCO[C@H]1CO[C@@H]2[C@H]1CCO2 9b9ee3a43fa413efb8545d6110ef2a14 [0,1,0,2,0,0|1,0,0]=4 42522 B12R2.144 FCNC1CCC2C1COC2 d1f48588d3d151dd12254f94c2876900 [0,1,0,2,0,0|1,0,0]=4 42523 B12R2.144 FCO[C@@H]1CC[C@H]2[C@@H]1COC2 1f840cc44008f289992507f3b54f953c [0,1,0,2,0,0|1,0,0]=4 42524 B12R2.144 OCNC1CCC2C1COC2 e779713e2fdade0597f28aaf2e7c346b [0,1,0,2,0,0|1,0,0]=4 42525 B12R2.286 CCCCN1CC2C1CCC2 f089269ce5ad4af9934c7fc5c917d766 [0,1,0,2,0,0|1,0,0]=4 42526 B12R2.286 CCCCN1C[C@H]2[C@@H]1CCC2 03b8ab0c58d12c3cfc4f5ef6850dbb46 [0,1,0,2,0,0|1,0,0]=4 42527 B12R2.315 CCN1CCCC2C1CCC2 cdd86dc278518163bc4cd760e5832724 [0,1,0,2,0,0|1,0,0]=4 42528 B12R2.315 CCN1CCO[C@H]2[C@H]1CCC2 17a0bbfc31627cefd3fc449092d2497b [0,1,0,2,0,0|0,0,0]=3 42529 B12R2.315 FCN1CCO[C@H]2[C@H]1CCC2 ec4f3a13011f59df089441512c807235 [0,1,0,2,0,0|1,0,0]=4 42530 B12R2.315 OCN1CCO[C@H]2[C@H]1CCC2 550c45e68165e17ee2f85af7b3f47e64 [0,1,0,2,0,0|1,0,0]=4 42531 B12R2.1435 CCCCCN1C2C1CCC2 689cbdbeddeaad91b254811b2e012d0e [0,1,0,2,0,0|1,0,0]=4 42532 B12R2.1435 CCOCCN1C2C1CCC2 977d38c486d44ee994e58708a1afe597 [0,1,0,2,0,0|1,0,0]=4 42533 B12R2.1435 CCSCCN1C2C1CCC2 c25cb97c6500482de722de7c61e9b769 [0,1,0,2,0,0|1,0,0]=4 42534 B12R2.1435 COCCCN1C2C1CCC2 41a40fcb40716e393010be49a3d74f7a [0,1,0,2,0,0|1,0,0]=4 42535 B12R2.1435 CSCCCN1C2C1CCC2 ba8507a8a0a1488a742b7828894442db [0,1,0,2,0,0|1,0,0]=4 42536 B12R2.1435 FCCCCN1C2C1CCC2 5565e86414bd94ae4937859ad53e572b [0,1,0,2,0,0|1,0,0]=4 42537 B12R2.1435 OCCCCN1C2C1CCC2 1adbc3231926d4e08cb6bdc66ca880d4 [0,1,0,2,0,0|1,0,0]=4 42538 B12R2.1444 CCCN1CCC2CCC1C2 88a93b9660230e1b894d362002506e44 [0,1,0,2,0,0|1,0,0]=4 42539 B12R2.1444 CCCN1CCN2CCC1C2 7352c6f2989a59b494ef7501df3acac8 [0,1,0,2,0,0|1,0,0]=4 42540 B12R2.1444 CCCN1CCN2CC[C@@H]1C2 4e76f0ca1a1ea360ce4f910097d3e787 [0,1,0,2,0,0|1,0,0]=4 42541 B12R2.1444 CCCN1CC[C@@H]2CC[C@H]1C2 ee9cb089c55a21209ebd76b70d9603f9 [0,1,0,2,0,0|1,0,0]=4 42542 B12R2.1631 CCCCOCC12CCC1C2 2676c16bfa76c2616290fd730e72a57c [0,1,0,2,0,0|0,0,0]=3 42543 B12R2.1631 CCOCOCC12CCC1C2 92600567df72c2a3deffcadafe207fbe [0,1,0,2,0,0|1,0,0]=4 42544 B12R2.1631 COCCOCC12CCC1C2 50046583b51ec4e50ed30c441bf35159 [0,1,0,2,0,0|1,0,0]=4 42545 B12R2.1631 CSCCOCC12CCC1C2 e1f34edd504519d7a1baff64410db7c1 [0,1,0,2,0,0|1,0,0]=4 42546 B12R2.1631 FCCCOCC12CCC1C2 af7bbde1e857460d140a80d37d378705 [0,1,0,2,0,0|1,0,0]=4 42547 B12R2.1631 SCCCOCC12CCC1C2 2012d317149a5e6e2b80b67b58f61d54 [0,1,0,2,0,0|1,0,0]=4 42548 B12R2.2056 C1=C(CCC1)COC2CCC2 65196053e6995c3a005a45e13d7b28d2 [0,1,0,2,0,0|0,0,1]=4 42549 B12R2.2056 C1=CC(CC1)COC2CCC2 52ec3c597442cfddc35e0ecdaf4187de [0,1,0,2,0,0|0,0,1]=4 42550 B12R2.2056 C1=CC(CC1)OCC2CCC2 19c2e84eb7a0cfbcface745acfb93f25 [0,1,0,2,0,0|0,0,1]=4 42551 B12R2.2056 C1=CCC(C1)COC2CCC2 7d8050d59a90d5318dfc49ee06e2d232 [0,1,0,2,0,0|0,0,1]=4 42552 B12R2.2056 C1=CCC(C1)OCC2CCC2 fdad331889baebea81508c0b37090a78 [0,1,0,2,0,0|0,0,1]=4 42553 B12R2.2056 C1CC(C1)CNC2CCCC2 2e7dbfb403426da299fdfaaf9fba8031 [0,1,0,2,0,0|1,0,0]=4 42554 B12R2.2056 C1CC(C1)CNC2CCOC2 99c48796ed898ae7cdea745c8f6f5850 [0,1,0,2,0,0|1,0,0]=4 42555 B12R2.2056 C1CC(C1)CNC2CCSC2 b5ef0a44b15cd2068db95f291d015c6c [0,1,0,2,0,0|1,0,0]=4 42556 B12R2.2056 C1CC(C1)CN[C@@H]2CCOC2 cce21c2e62327da9b74286677f4e7d58 [0,1,0,2,0,0|1,0,0]=4 42557 B12R2.2056 C1CC(C1)CN[C@H]2CCOC2 ba40a75297b08662bf7af62903d58511 [0,1,0,2,0,0|1,0,0]=4 42558 B12R2.2056 C1CC(C1)COC2CCCC2 b27971d1aee2eb52d380885cf5b809d4 [0,1,0,2,0,0|0,0,0]=3 42559 B12R2.2056 C1CC(C1)COC2CCCO2 efb5244be76df18f4b42ae7aff944aaf [0,1,0,2,0,0|0,0,0]=3 42560 B12R2.2056 C1CC(C1)COC2CCOC2 bf4ee41e5b3c0cd88c4fb28eaca2403a [0,1,0,2,0,0|0,0,0]=3 42561 B12R2.2056 C1CC(C1)COC2CCSC2 504cfe5ee61225604ed25dee1ae1381f [0,1,0,2,0,0|0,0,0]=3 42562 B12R2.2056 C1CC(C1)CO[C@@H]2CCOC2 ac9408d7870c86c807992f7297a2b814 [0,1,0,2,0,0|0,0,0]=3 42563 B12R2.2056 C1CC(C1)CO[C@@H]2CCSC2 0e23d601cf536fb85884cf80f98340a5 [0,1,0,2,0,0|0,0,0]=3 42564 B12R2.2056 C1CC(C1)CO[C@H]2CCOC2 48abe10024553378c1a993734f90b53e [0,1,0,2,0,0|0,0,0]=3 42565 B12R2.2056 C1CC(C1)CO[C@H]2CCSC2 1d3bc3f01c482040494867373ac236e1 [0,1,0,2,0,0|0,0,0]=3 42566 B12R2.2056 C1CC(C1)NCC2CCCO2 b19b77841b996244e42e47a0ce6bd17b [0,1,0,2,0,0|1,0,0]=4 42567 B12R2.2056 C1CC(C1)NCC2CCOC2 a013481d95a53ee94eecea780564256d [0,1,0,2,0,0|1,0,0]=4 42568 B12R2.2056 C1CC(C1)NC[C@@H]2CCCO2 6f2b0237a47eeaf16fd20ce95348d0d0 [0,1,0,2,0,0|1,0,0]=4 42569 B12R2.2056 C1CC(C1)NC[C@@H]2CCOC2 6c562b4332675a6856cd2912d00e47d6 [0,1,0,2,0,0|1,0,0]=4 42570 B12R2.2056 C1CC(C1)NC[C@H]2CCCO2 2a2232d48298865a39363cb084d05e63 [0,1,0,2,0,0|1,0,0]=4 42571 B12R2.2056 C1CC(C1)NC[C@H]2CCOC2 d8d3c14e209564d7d7d23c55152989fd [0,1,0,2,0,0|1,0,0]=4 42572 B12R2.2056 C1CC(C1)OCC2CCCO2 522231a57d0ddf225cb54e20a646b123 [0,1,0,2,0,0|0,0,0]=3 42573 B12R2.2056 C1CC(C1)OCC2CCCS2 f79d6253536e768f7539a9eb6b2d92e8 [0,1,0,2,0,0|0,0,0]=3 42574 B12R2.2056 C1CC(C1)OCC2CCOC2 ce037f8c342812dff575f3ec0f7458fb [0,1,0,2,0,0|0,0,0]=3 42575 B12R2.2056 C1CC(C1)OCN2CCCC2 a936a63f2318af98efe3dbadd52fe8dc [0,1,0,2,0,0|0,0,0]=3 42576 B12R2.2056 C1CC(C1)OC[C@@H]2CCCO2 42785b165c2bf1e40aadd2ce564e07a2 [0,1,0,2,0,0|0,0,0]=3 42577 B12R2.2056 C1CC(C1)OC[C@@H]2CCOC2 5bd9791464bce80621ef989c241a2039 [0,1,0,2,0,0|0,0,0]=3 42578 B12R2.2056 C1CC(C1)OC[C@H]2CCCO2 982ac60a382290760d449879ed436fec [0,1,0,2,0,0|0,0,0]=3 42579 B12R2.2056 C1CC(C1)OC[C@H]2CCOC2 6806ee5ea3210c03221e15943c1f4dab [0,1,0,2,0,0|0,0,0]=3 42580 B12R2.2056 C1CC(CO1)COC2COC2 0bd527a93bf5c3d0c613ce207b4ab89b [0,1,0,2,0,0|1,0,0]=4 42581 B12R2.2056 C1CC(CO1)COC2CSC2 f2b0c66a0f7acb18e6fd31305adec905 [0,1,0,2,0,0|1,0,0]=4 42582 B12R2.2056 C1CC(CO1)OCC2CCO2 3cc49e16f102bf041b8df5f0d8b49c10 [0,1,0,2,0,0|1,0,0]=4 42583 B12R2.2056 C1CC(CO1)OCC2COC2 000307d84edfb7445180825a2b5eb87a [0,1,0,2,0,0|1,0,0]=4 42584 B12R2.2056 C1CC(CO1)OCC2CSC2 e82a7f299e8add6d4706a036bf3187fe [0,1,0,2,0,0|1,0,0]=4 42585 B12R2.2056 C1CC(CO1)OC[C@@H]2CCO2 406ed59578e35de56b99292dcdce6f16 [0,1,0,2,0,0|1,0,0]=4 42586 B12R2.2056 C1CC(CO1)OC[C@H]2CCO2 74bd694a8264d5fed32a91395e10c55d [0,1,0,2,0,0|1,0,0]=4 42587 B12R2.2056 C1CC(CS1)OCC2COC2 bc2e97c55365839e68d9f74b3b824ece [0,1,0,2,0,0|1,0,0]=4 42588 B12R2.2056 C1CC(O1)COC2CCSC2 56fcc77df220b40f48d510ee6cb768f5 [0,1,0,2,0,0|1,0,0]=4 42589 B12R2.2056 C1CC(O1)CO[C@@H]2CCSC2 ffd56f6a74aee61de945204de5a87cb8 [0,1,0,2,0,0|1,0,0]=4 42590 B12R2.2056 C1CC(O1)CO[C@H]2CCSC2 9803a436d7f37682d118e72dc91637e0 [0,1,0,2,0,0|1,0,0]=4 42591 B12R2.2056 C1CCC(C1)CCN2CCC2 3a826c0881a883602491a33305f8e9ce [0,1,0,2,0,0|1,0,0]=4 42592 B12R2.2056 C1CCC(C1)CNC2CCC2 a6bda0e3b67beaab7c7bc6444c867479 [0,1,0,2,0,0|1,0,0]=4 42593 B12R2.2056 C1CCC(C1)COC2CCC2 b235e9847f2d6062fc5ffa3d0c200eb3 [0,1,0,2,0,0|0,0,0]=3 42594 B12R2.2056 C1CCC(C1)COC2COC2 44186a9d011dea12682a263b5c1d897a [0,1,0,2,0,0|1,0,0]=4 42595 B12R2.2056 C1CCC(C1)COC2CSC2 ee37c06a2b27d82ed0aba451206ee955 [0,1,0,2,0,0|1,0,0]=4 42596 B12R2.2056 C1CCC(C1)NCC2CCO2 6890cba5f4942ecc8aac99e49c66f14f [0,1,0,2,0,0|1,0,0]=4 42597 B12R2.2056 C1CCC(C1)NCC2COC2 d050db2e1f8c853c78f8424ceb9ed962 [0,1,0,2,0,0|1,0,0]=4 42598 B12R2.2056 C1CCC(C1)NC[C@@H]2CCO2 396292a5aa9067c9865af0a391b0910c [0,1,0,2,0,0|1,0,0]=4 42599 B12R2.2056 C1CCC(C1)NC[C@H]2CCO2 3ba5ed6e9ede2029a059a2ca908fb96b [0,1,0,2,0,0|1,0,0]=4 42600 B12R2.2056 C1CCC(C1)OCC2CCO2 98d188a1ffdda3accc3356b288580361 [0,1,0,2,0,0|0,0,0]=3 42601 B12R2.2056 C1CCC(C1)OCC2COC2 c4640dc2f0c24f2f3030aaf1fbc74ee8 [0,1,0,2,0,0|0,0,0]=3 42602 B12R2.2056 C1CCC(C1)OCC2CSC2 21f186f5e6538f1548f6cc90127909da [0,1,0,2,0,0|0,0,0]=3 42603 B12R2.2056 C1CCC(C1)OC[C@@H]2CCO2 adfc8afc9bb9137b4e818e7ac702a885 [0,1,0,2,0,0|0,0,0]=3 42604 B12R2.2056 C1CCC(C1)OC[C@H]2CCO2 64a3b04a2b533708a2447ea5a3a634dc [0,1,0,2,0,0|0,0,0]=3 42605 B12R2.2056 C1CCN(C1)CCN2CCC2 c83225376299e41483001b7cbe958e6d [0,1,0,2,0,0|1,0,0]=4 42606 B12R2.2056 C1CCN(C1)COC2COC2 b8515b5aa71fb9b68d1d32fed224a9c5 [0,1,0,2,0,0|1,0,0]=4 42607 B12R2.2056 C1COC(C1)COC2COC2 5c0d66e6b269ac1a27a1a50ade397834 [0,1,0,2,0,0|1,0,0]=4 42608 B12R2.2056 C1COC(C1)COC2CSC2 c7b3cd9dcede60ed21fd5f13c6d71ceb [0,1,0,2,0,0|1,0,0]=4 42609 B12R2.2056 C1COC(C1)OCC2CCO2 56da5ef0713e9b7ecf06ebd196854736 [0,1,0,2,0,0|1,0,0]=4 42610 B12R2.2056 C1COC(C1)OCC2COC2 39ce1d6040639c5a2a98335357d66241 [0,1,0,2,0,0|1,0,0]=4 42611 B12R2.2056 C1COC(C1)OC[C@@H]2CCO2 fa25a0c74e0410292478897c115f8950 [0,1,0,2,0,0|1,0,0]=4 42612 B12R2.2056 C1COC(C1)OC[C@H]2CCO2 7ea233dd7bc9fea5042829bb9faae1e4 [0,1,0,2,0,0|1,0,0]=4 42613 B12R2.2056 C1CO[C@@H](C1)COC2COC2 02d6357ee77bdef1d5203f14b5987723 [0,1,0,2,0,0|1,0,0]=4 42614 B12R2.2056 C1CO[C@H](C1)COC2COC2 1bc27fc8ab044833d46448f3f100ffc7 [0,1,0,2,0,0|1,0,0]=4 42615 B12R2.2056 C1CSC(C1)COC2COC2 bac9c84853ba6a75438f453d86e28d17 [0,1,0,2,0,0|1,0,0]=4 42616 B12R2.2056 C1C[C@@H](CO1)COC2COC2 045a343665b160380cafc17b00734869 [0,1,0,2,0,0|1,0,0]=4 42617 B12R2.2056 C1C[C@@H](CO1)OCC2CCO2 1c0d61a6d33be939cd0594e7c37eac3c [0,1,0,2,0,0|1,0,0]=4 42618 B12R2.2056 C1C[C@@H](CO1)OCC2COC2 521a40797481aa22f4b4eb5e0d87aa77 [0,1,0,2,0,0|1,0,0]=4 42619 B12R2.2056 C1C[C@@H](CO1)OCC2CSC2 766f2ae037f715848ca2f9d1e4c715ea [0,1,0,2,0,0|1,0,0]=4 42620 B12R2.2056 C1C[C@@H](CO1)OC[C@@H]2CCO2 04f17f54ae33434cc8abe15c8e3bddc0 [0,1,0,2,0,0|1,0,0]=4 42621 B12R2.2056 C1C[C@@H](CO1)OC[C@H]2CCO2 9fb9ded56fc425c71fa4813807ecdb5c [0,1,0,2,0,0|1,0,0]=4 42622 B12R2.2056 C1C[C@@H](CS1)OCC2COC2 419a6d9b31809ed4ccfbb938d8ab7728 [0,1,0,2,0,0|1,0,0]=4 42623 B12R2.2056 C1C[C@@H](O1)COC2CCSC2 07d7469e099b7d067ebc7f113d1f05c7 [0,1,0,2,0,0|1,0,0]=4 42624 B12R2.2056 C1C[C@@H](O1)CO[C@@H]2CCSC2 996ae97a28e7561875409d0870419334 [0,1,0,2,0,0|1,0,0]=4 42625 B12R2.2056 C1C[C@@H](O1)CO[C@H]2CCSC2 057df133ffa7bfca68e7aebde24bf49e [0,1,0,2,0,0|1,0,0]=4 42626 B12R2.2056 C1C[C@H](CO1)COC2COC2 56e226f2db2221e1bad80263c1e11299 [0,1,0,2,0,0|1,0,0]=4 42627 B12R2.2056 C1C[C@H](CO1)OCC2CCO2 3e89f84d8b284d941bdc7f01942754b6 [0,1,0,2,0,0|1,0,0]=4 42628 B12R2.2056 C1C[C@H](CO1)OCC2COC2 3dfc615769e31f726bea2e15d1ebf55c [0,1,0,2,0,0|1,0,0]=4 42629 B12R2.2056 C1C[C@H](CO1)OCC2CSC2 9b81c657c8cf4e8cd250be7d19b78762 [0,1,0,2,0,0|1,0,0]=4 42630 B12R2.2056 C1C[C@H](CO1)OC[C@@H]2CCO2 9a222aa6bc8bbbef07749ba304cb3fbd [0,1,0,2,0,0|1,0,0]=4 42631 B12R2.2056 C1C[C@H](CO1)OC[C@H]2CCO2 a78314af0512cf02d21d32aca59ca730 [0,1,0,2,0,0|1,0,0]=4 42632 B12R2.2056 C1C[C@H](CS1)OCC2COC2 33838ae1ea55967bdee2a26b42a2e0ed [0,1,0,2,0,0|1,0,0]=4 42633 B12R2.2056 C1C[C@H](O1)COC2CCSC2 c583d5c705b70194274bf2d8c93f07e1 [0,1,0,2,0,0|1,0,0]=4 42634 B12R2.2056 C1C[C@H](O1)CO[C@@H]2CCSC2 6455e820916986fcccc663be58d06c61 [0,1,0,2,0,0|1,0,0]=4 42635 B12R2.2056 C1C[C@H](O1)CO[C@H]2CCSC2 71d81a507286d481031ddf7d61871e3e [0,1,0,2,0,0|1,0,0]=4 42636 B12R2.2336 CCCCN1CC2CC1CO2 5376e67d849338e0ceb89fb4a111af1d [0,1,0,2,0,0|1,0,0]=4 42637 B12R2.2336 CCCCN1CC2CCC1C2 611c58ebb8e89fad2764b7de2cb0ba40 [0,1,0,2,0,0|1,0,0]=4 42638 B12R2.2336 CCCCN1C[C@@H]2CC[C@H]1C2 710ad552e9238bdcd4144e0dd05371f8 [0,1,0,2,0,0|1,0,0]=4 42639 B12R2.2336 CCCCN1C[C@@H]2C[C@H]1CO2 34b2e33b1a8f8cc5edda9e7fdd57db02 [0,1,0,2,0,0|1,0,0]=4 42640 B12R2.2336 CCCCN1C[C@H]2CC[C@@H]1C2 179c088b2ca49cc2f9bb9de6f8e9b42d [0,1,0,2,0,0|1,0,0]=4 42641 B12R2.2336 CCCCN1C[C@H]2C[C@@H]1CO2 5c14b1cbed5149c21c03777a3edf9400 [0,1,0,2,0,0|1,0,0]=4 42642 B12R2.2336 CCCNC1CC2CCC1C2 0d0f6b84511b77d5d4f107dcd7f36d64 [0,1,0,2,0,0|1,0,0]=4 42643 B12R2.2336 CCCNC1C[C@@H]2CC[C@H]1C2 b300913d4b623ec87be303e26f9d5d41 [0,1,0,2,0,0|1,0,0]=4 42644 B12R2.2336 CCCNC1C[C@H]2CC[C@@H]1C2 a6c6667ea69fd32dc09d12dd3cd06444 [0,1,0,2,0,0|1,0,0]=4 42645 B12R2.2336 CCCN[C@@H]1CN2CC[C@H]1C2 418c93eea92a541ee72ec9f206c46ac6 [0,1,0,2,0,0|1,0,0]=4 42646 B12R2.2336 CCCN[C@@H]1C[C@H]2CC[C@@H]1C2 14848ec718a32869e80cf491970318fc [0,1,0,2,0,0|1,0,0]=4 42647 B12R2.2336 CCCN[C@@H]1C[N@]2CC[C@@H]1C2 d1793bbb6e97ae65b849a201aa65d33e [0,1,0,2,0,0|1,0,0]=4 42648 B12R2.2336 CCCN[C@H]1CN2CC[C@H]1C2 44d4e52969387d2a5e7ef414d89fcd14 [0,1,0,2,0,0|1,0,0]=4 42649 B12R2.2336 CCCN[C@H]1C[C@@H]2CC[C@H]1C2 3e46bb00e6e93e6b7a8c88f88ed76e79 [0,1,0,2,0,0|1,0,0]=4 42650 B12R2.2336 CCCN[C@H]1C[C@H]2CC[C@@H]1C2 6b8d62b46abc256c30f882c219606fba [0,1,0,2,0,0|1,0,0]=4 42651 B12R2.2336 CCCN[C@H]1C[N@]2CC[C@@H]1C2 be3033b0de3dd43c7b9ebee97f0e8430 [0,1,0,2,0,0|1,0,0]=4 42652 B12R2.2336 CCCOC1CC2CCC1C2 b23f93e0c4a8be3e3742bdc86a77439e [0,1,0,2,0,0|1,0,0]=4 42653 B12R2.2336 CCCOC1CN2CCC1C2 f2575710da1bf21025dda716e2305ce4 [0,1,0,2,0,0|1,0,0]=4 42654 B12R2.2336 CCCOC1C[C@@H]2CC[C@H]1C2 7fd28db1e61c085f9b3b2cc40a1506bd [0,1,0,2,0,0|1,0,0]=4 42655 B12R2.2336 CCCOC1C[C@H]2CC[C@@H]1C2 789df6d7884fc8915355df1e233c3c74 [0,1,0,2,0,0|1,0,0]=4 42656 B12R2.2336 CCCO[C@@H]1C[C@H]2CC[C@@H]1C2 6ca42bba9453b67c7d611114ee4f262a [0,1,0,2,0,0|1,0,0]=4 42657 B12R2.2336 CCCO[C@H]1C[C@@H]2CC[C@H]1C2 9a8ab905143ee78cba078efa44930b60 [0,1,0,2,0,0|1,0,0]=4 42658 B12R2.2336 CCCO[C@H]1C[C@H]2CC[C@@H]1C2 04a5df877c83d6ced09e7a96c0667989 [0,1,0,2,0,0|1,0,0]=4 42659 B12R2.2336 CCOCC1CC2CCC1C2 7f87deaf01348c59617fb9dc4b3fcd8b [0,1,0,2,0,0|1,0,0]=4 42660 B12R2.2383 C(CC1CC1)NC2CCOC2 7c58f2ef5156a362b7b2b29e62e1287f [0,1,0,2,0,0|1,0,0]=4 42661 B12R2.2383 C(CC1CC1)NC2CCSC2 a5a82b991569d48d983adce21df13526 [0,1,0,2,0,0|1,0,0]=4 42662 B12R2.2383 C(CC1CC1)N[C@@H]2CCOC2 db8159bc1f898f3befa92873ae272626 [0,1,0,2,0,0|1,0,0]=4 42663 B12R2.2383 C(CC1CC1)N[C@H]2CCOC2 02a9a6f492f9d322a07141850d54dde3 [0,1,0,2,0,0|1,0,0]=4 42664 B12R2.2383 C(CC1CC1)OC2CCSC2 530ef67674bb417427a71a01f48950bf [0,1,0,2,0,0|0,0,0]=3 42665 B12R2.2383 C(CC1CC1)O[C@@H]2CCSC2 52eace1b90e11e0ee539357d0bdd5eb0 [0,1,0,2,0,0|0,0,0]=3 42666 B12R2.2383 C(CC1CC1)O[C@H]2CCSC2 f92ea2f3051718424342d5433d130d37 [0,1,0,2,0,0|0,0,0]=3 42667 B12R2.2383 C1=CC(CC1)COCC2CC2 2ba9453e6e165f1eaa45506648fb708a [0,1,0,2,0,0|0,0,1]=4 42668 B12R2.2383 C1=CC(CC1)OCCC2CC2 8c6bdc3f6f0f85c26c132e8a6a455264 [0,1,0,2,0,0|0,0,1]=4 42669 B12R2.2383 C1=CCC(C1)COCC2CC2 a97ef23e8c0b334158e1681ae2bea5ba [0,1,0,2,0,0|0,0,1]=4 42670 B12R2.2383 C1=CCC(C1)OCCC2CC2 fb452ae3404283fdae614c7704741025 [0,1,0,2,0,0|0,0,1]=4 42671 B12R2.2383 C1CC(CO1)CNCC2CC2 f3a7c096a642d947056026618fc3d183 [0,1,0,2,0,0|1,0,0]=4 42672 B12R2.2383 C1CC(CO1)COCC2CC2 4b7400e93b68c3b8c581c1419b3a1d24 [0,1,0,2,0,0|0,0,0]=3 42673 B12R2.2383 C1CC(CO1)OCCC2CC2 fd990b5b1cf798d28ca91950702bad4b [0,1,0,2,0,0|0,0,0]=3 42674 B12R2.2383 C1CC(CO1)OCCN2CC2 fce0f423a787e98433adc55e926949fe [0,1,0,2,0,0|1,0,0]=4 42675 B12R2.2383 C1CCC(C1)CCNC2CC2 f7b42f2d1c67a84dbf6427d3a4201ea4 [0,1,0,2,0,0|1,0,0]=4 42676 B12R2.2383 C1CCC(C1)CCOC2CC2 ec39b19ac2a188b2038b25a110398451 [0,1,0,2,0,0|1,0,0]=4 42677 B12R2.2383 C1CCC(C1)CNCC2CC2 9e4d940ffd738cd741ef24f9b605812d [0,1,0,2,0,0|1,0,0]=4 42678 B12R2.2383 C1CCC(C1)COCC2CC2 3a72acc80e72e9bd3dcaf5802f58bc9a [0,1,0,2,0,0|0,0,0]=3 42679 B12R2.2383 C1CCC(C1)NCCC2CC2 7751e5e1acfab67fac1fe52b46227cf7 [0,1,0,2,0,0|1,0,0]=4 42680 B12R2.2383 C1CCC(C1)NCCN2CC2 3d4fbfe48aa8b3ffc9a503be66069cca [0,1,0,2,0,0|1,0,0]=4 42681 B12R2.2383 C1CCC(C1)OCCC2CC2 ec61edd35bc53a38659fa4e0d7b2e4f4 [0,1,0,2,0,0|0,0,0]=3 42682 B12R2.2383 C1CCC(C1)OCCN2CC2 20f9b6c222b990ff43f2978a30e93cee [0,1,0,2,0,0|0,0,0]=3 42683 B12R2.2383 C1CCN(C1)CCNC2CC2 7bfc3dab03479e413d088a46593e7c47 [0,1,0,2,0,0|1,0,0]=4 42684 B12R2.2383 C1CCN(C1)CCOC2CC2 e146a97ecc0ec20c097e4c3ae76577b0 [0,1,0,2,0,0|1,0,0]=4 42685 B12R2.2383 C1CCN(C1)COCC2CC2 2971319a5bb37911d6e062065e6b42cc [0,1,0,2,0,0|0,0,0]=3 42686 B12R2.2383 C1COC(C1)CNCC2CC2 758157ad8ed1430423a5a67bbb2914a2 [0,1,0,2,0,0|1,0,0]=4 42687 B12R2.2383 C1COC(C1)COCC2CC2 7ee92c8e20a9cd0ab627a944334d1082 [0,1,0,2,0,0|0,0,0]=3 42688 B12R2.2383 C1COC(C1)OCCC2CC2 82c69f73d05c7634fdf24da398d481c8 [0,1,0,2,0,0|0,0,0]=3 42689 B12R2.2383 C1CO[C@@H](C1)CNCC2CC2 5231eaad7e7de0ed91b4aaadc5f6eaed [0,1,0,2,0,0|1,0,0]=4 42690 B12R2.2383 C1CO[C@@H](C1)COCC2CC2 1a2175a3f95134c27439fb052bd1dbfa [0,1,0,2,0,0|0,0,0]=3 42691 B12R2.2383 C1CO[C@H](C1)CNCC2CC2 2defbf07bf5cbbb038ce8fb05d72d4c7 [0,1,0,2,0,0|1,0,0]=4 42692 B12R2.2383 C1CO[C@H](C1)COCC2CC2 e8109f1d3f4cb4fdeb8bd520c7ce0b4c [0,1,0,2,0,0|0,0,0]=3 42693 B12R2.2383 C1CSC(C1)COCC2CC2 c39b46010599a424f1e3c83099b438f1 [0,1,0,2,0,0|0,0,0]=3 42694 B12R2.2383 C1C[C@@H](CO1)CNCC2CC2 18f93c15a5d9b879d8aa4ab904fb5244 [0,1,0,2,0,0|1,0,0]=4 42695 B12R2.2383 C1C[C@@H](CO1)COCC2CC2 d35be4f6debfdc6f5efc72444caf000e [0,1,0,2,0,0|0,0,0]=3 42696 B12R2.2383 C1C[C@@H](CO1)OCCC2CC2 783f9239cb4505ac6b73a9bee342ecc2 [0,1,0,2,0,0|0,0,0]=3 42697 B12R2.2383 C1C[C@@H](CO1)OCCN2CC2 5169872065b1b60e8850d5fbe5ac4617 [0,1,0,2,0,0|1,0,0]=4 42698 B12R2.2383 C1C[C@H](CO1)CNCC2CC2 1bbce8d55fd80b9c27691163f3c82cf5 [0,1,0,2,0,0|1,0,0]=4 42699 B12R2.2383 C1C[C@H](CO1)COCC2CC2 2a04712c952579a4035f27a554b15d8f [0,1,0,2,0,0|0,0,0]=3 42700 B12R2.2383 C1C[C@H](CO1)OCCC2CC2 d98328f4ac5c5a7a35c312cb0ff01638 [0,1,0,2,0,0|0,0,0]=3 42701 B12R2.2383 C1C[C@H](CO1)OCCN2CC2 1cd5e8722c891287edb378d6c192fd04 [0,1,0,2,0,0|1,0,0]=4 42702 B12R2.22 OC1CN(C1)C2CCCCO2 47d51b8ac040ea2147747998bdd6c9f4 [0,1,0,2,0,0|1,0,0]=4 42703 B12R2.186 CCCN1CC2CCC1CC2 56248f66f39e48d947bd28d2d1826af8 [0,1,0,2,0,0|1,0,0]=4 42704 B12R2.186 CCCN1C[C@H]2CC[C@@H]1CC2 70983b589c06be2596d3d7bcb9b97c40 [0,1,0,2,0,0|1,0,0]=4 42705 B12R2.186 CCNC1CN2CCC1CC2 614b168c9972a2e6030c30352aa7b305 [0,1,0,2,0,0|1,0,0]=4 42706 B12R2.186 CCN[C@@H]1CN2CCC1CC2 daf3491837b5e9c2ac02506e32eb4633 [0,1,0,2,0,0|1,0,0]=4 42707 B12R2.186 CCN[C@H]1CN2CCC1CC2 ea36a470b5003f965eb560f21e34087a [0,1,0,2,0,0|1,0,0]=4 42708 B12R2.186 CCOC1CC2CCC1CC2 48cc4cebb946486bc4c2bdc368245123 [0,1,0,2,0,0|1,0,0]=4 42709 B12R2.931 CCCN1CC2C1CCCC2 35f13b2b5727ccfb6b50c47024b56c1b [0,1,0,2,0,0|1,0,0]=4 42710 B12R2.931 CCCN1C[C@@H]2[C@H]1CCCC2 3f970e4525f92e4c36a0d94486824e2c [0,1,0,2,0,0|1,0,0]=4 42711 B12R2.1479 CCCC(C)N1C2C1CCC2 7a8af9f0431a2188ae0975b8441299f2 [0,1,0,2,0,0|1,0,0]=4 42712 B12R2.1485 CCCC(C)N1CCC2C1C2 940b6d160cb9dc821d627068eb43998a [0,1,0,2,0,0|1,0,0]=4 42713 B12R2.1488 CCCC(C)N1CC2CC2C1 c7864116c703fd351f1960061eaaaa2a [0,1,0,2,0,0|1,0,0]=4 42714 B12R2.2068 CCCN1CC2CCCC1C2 86aa751583679d59e7b8952fa27a680a [0,1,0,2,0,0|1,0,0]=4 42715 B12R2.2075 CN(C1CC1)C2CCCCO2 8261a05f64806a8af87077dad8183bb7 [0,1,0,2,0,0|1,0,0]=4 42716 B12R2.270 CCCCN1CCC2CC2C1 c54ab82ff08fab0a3b84eeaab68c6b13 [0,1,0,2,0,0|1,0,0]=4 42717 B12R2.270 CCCNC1CCC2CC2C1 bf212bf47608166c65451e5e700be16d [0,1,0,2,0,0|1,0,0]=4 42718 B12R2.270 CCCN[C@@H]1CCC2CC2C1 9835874aa906572939fd63aa61598ce9 [0,1,0,2,0,0|1,0,0]=4 42719 B12R2.270 CCCN[C@H]1CCC2CC2C1 7a6cd873f0b46cc563bf36ee09040977 [0,1,0,2,0,0|1,0,0]=4 42720 B12R2.1286 CC1CCCN(C1)CC2CC2 2596592c1a2e4c35f9b39de5a1973540 [0,1,0,2,0,0|1,0,0]=4 42721 B12R2.1286 C[C@@H]1CCCN(C1)CC2CC2 65d6049d979fba55d09d8d938c4772ae [0,1,0,2,0,0|1,0,0]=4 42722 B12R2.1286 C[C@H]1CCCN(C1)CC2CC2 1ff501e19c9a80fed692d732e8b211b7 [0,1,0,2,0,0|1,0,0]=4 42723 B12R2.1286 FC1CCCN(C1)CC2CC2 b7582d00aa3bb74651ed7cfb5a1fe401 [0,1,0,2,0,0|1,0,0]=4 42724 B12R2.1286 F[C@@H]1CCCN(C1)CC2CC2 5eac064f072f4c8082098abf7dd28404 [0,1,0,2,0,0|1,0,0]=4 42725 B12R2.1286 F[C@H]1CCCN(C1)CC2CC2 cb9776b877fc4247f8df924c226ea164 [0,1,0,2,0,0|1,0,0]=4 42726 B12R2.1286 OC1CCCN(C1)CC2CC2 054345bfc11a35c764b14eb357654ae9 [0,1,0,2,0,0|1,0,0]=4 42727 B12R2.1286 O[C@@H]1CCCN(C1)CC2CC2 e3cbb34b81c2abb8a5836904d6850037 [0,1,0,2,0,0|1,0,0]=4 42728 B12R2.1286 O[C@H]1CCCN(C1)CC2CC2 747608548baab3cd64ebf1287941bb13 [0,1,0,2,0,0|1,0,0]=4 42729 B12R2.1515 CCCCN1CCOC2C1C2 303bff0b6e145b2675aa006615d44105 [0,1,0,2,0,0|1,0,0]=4 42730 B12R2.1519 CCCCN1CC2CC(C1)O2 a371d6848dd99c39a5df6ca9e2f2ab18 [0,1,0,2,0,0|1,0,0]=4 42731 B12R2.1519 CCCCN1C[C@H]2C[C@@H](C1)O2 6c5197163d2b2d2c2ad30b9a80fbac01 [0,1,0,2,0,0|1,0,0]=4 42732 B12R2.2313 CC1CCCN(C1)C2CCC2 8ecd79e71c65a115ac0dc2f061c0489f [0,1,0,2,0,0|1,0,0]=4 42733 B12R2.2313 C[C@@H]1CCCN(C1)C2CCC2 4a2877391139b5610da53161a716fb06 [0,1,0,2,0,0|1,0,0]=4 42734 B12R2.2313 C[C@H]1CCCN(C1)C2CCC2 02bb81b1c870e69788b556cc0c35a816 [0,1,0,2,0,0|1,0,0]=4 42735 B12R2.2313 FC1CCCN(C1)C2CCC2 538e6feb88820bdb2e83e66e7d78e44f [0,1,0,2,0,0|1,0,0]=4 42736 B12R2.2313 F[C@@H]1CCCN(C1)C2CCC2 0dd1c44d34693696dbea55a0c007a18b [0,1,0,2,0,0|1,0,0]=4 42737 B12R2.2313 F[C@H]1CCCN(C1)C2CCC2 27ac55255c6732a6505d3bf54d054259 [0,1,0,2,0,0|1,0,0]=4 42738 B12R2.2313 OC1CCCN(C1)C2CCC2 083650c093dc0391c14f9e07ca1c90de [0,1,0,2,0,0|1,0,0]=4 42739 B12R2.2313 O[C@@H]1CCCN(C1)C2CCC2 31cf513bfb78d359160b37091a04c34d [0,1,0,2,0,0|1,0,0]=4 42740 B12R2.2313 O[C@H]1CCCN(C1)C2CCC2 ebe022152cc1f81382b13619aeda80c0 [0,1,0,2,0,0|1,0,0]=4 42741 B12R2.39 CCCN1CC2CCCC2C1 976a29451e86415305722e538e1548ea [0,1,0,2,0,0|1,0,0]=4 42742 B12R2.39 CCCN1CC2CCOC2C1 b02511c44972477af22d1ed66a826ec8 [0,1,0,2,0,0|0,0,0]=3 42743 B12R2.39 CCCN1C[C@H]2CCC[C@H]2C1 57233ba2646d80312c09514690a1ddf8 [0,1,0,2,0,0|1,0,0]=4 42744 B12R2.39 COCN1CC2CCOC2C1 da89a7e303c23ad8a5dfd7f7adf343ab [0,1,0,2,0,0|1,0,0]=4 42745 B12R2.39 CSCN1CC2CCOC2C1 e5b9e2e7cb170f97b73e7d26936506f1 [0,1,0,2,0,0|1,0,0]=4 42746 B12R2.39 FCCN1CC2CCOC2C1 173265feb6ff9b874fc3360f0508efa2 [0,1,0,2,0,0|1,0,0]=4 42747 B12R2.39 OCCN1CC2CCOC2C1 f48a76543663b3244e8f7fa59530ad2b [0,1,0,2,0,0|1,0,0]=4 42748 B12R2.39 SCCN1CC2CCOC2C1 a06c312e5d6ce0391e84693371189fef [0,1,0,2,0,0|1,0,0]=4 42749 B12R2.136 CC1CC(C1)OC2CCCC2 8aea66d4d39b7f2598aab1d744a58183 [0,1,0,2,0,0|0,0,0]=3 42750 B12R2.136 CC1CC(C1)OC2CCOC2 ec21eb2aaf17a43c354e35f160621c05 [0,1,0,2,0,0|1,0,0]=4 42751 B12R2.136 CC1CC(C1)O[C@@H]2CCOC2 19b94186d6f3a147e2962d308e0bdf34 [0,1,0,2,0,0|1,0,0]=4 42752 B12R2.136 CC1CC(C1)O[C@H]2CCOC2 a0a7552b1e8ea32a91999fb7e9578a80 [0,1,0,2,0,0|1,0,0]=4 42753 B12R2.136 CN1CC(C1)OC2CCCC2 e28f50b40e78f40cafad3f1858999ca3 [0,1,0,2,0,0|1,0,0]=4 42754 B12R2.136 FC1CC(C1)NC2CCCC2 01610bc2991e1cee8daa12018375e565 [0,1,0,2,0,0|1,0,0]=4 42755 B12R2.136 FC1CC(C1)OC2CCCC2 661af6eaef26f45a65ae43ea34b86e0b [0,1,0,2,0,0|0,0,0]=3 42756 B12R2.136 FC1CC(C1)OC2CCOC2 672d7a925a11be3fc09d35860f6c149b [0,1,0,2,0,0|1,0,0]=4 42757 B12R2.136 FC1CC(C1)O[C@@H]2CCOC2 dd45c1420e78fb61f97c99e205a65fac [0,1,0,2,0,0|1,0,0]=4 42758 B12R2.136 FC1CC(C1)O[C@H]2CCOC2 9dc784a6b49d940f0f283ea2ad635add [0,1,0,2,0,0|1,0,0]=4 42759 B12R2.136 F[C@H]1C[C@@H](C1)NC2CCCC2 d0a53f1c0f0f927ebca5d022a105df3c [0,1,0,2,0,0|1,0,0]=4 42760 B12R2.136 F[C@H]1C[C@@H](C1)OC2CCCC2 1d92f549aa1b3b4a4146f8c681b80824 [0,1,0,2,0,0|0,0,0]=3 42761 B12R2.136 F[C@H]1C[C@@H](C1)OC2CCOC2 4365d997695c5660abda1d24fb60c606 [0,1,0,2,0,0|1,0,0]=4 42762 B12R2.136 F[C@H]1C[C@@H](C1)O[C@@H]2CCOC2 1725ba0503767c4ec18c998512d303c0 [0,1,0,2,0,0|1,0,0]=4 42763 B12R2.136 F[C@H]1C[C@@H](C1)O[C@H]2CCOC2 894a34591d15fa7358ab409ccfbc6166 [0,1,0,2,0,0|1,0,0]=4 42764 B12R2.136 F[C@H]1C[C@H](C1)NC2CCCC2 dd982b65732090da3097dbe8fa1fcbfb [0,1,0,2,0,0|1,0,0]=4 42765 B12R2.136 F[C@H]1C[C@H](C1)OC2CCCC2 aa5809dd64e697e05af27b01c597bed4 [0,1,0,2,0,0|0,0,0]=3 42766 B12R2.136 F[C@H]1C[C@H](C1)OC2CCOC2 522d5de933593ddad85d83b9b162fdda [0,1,0,2,0,0|1,0,0]=4 42767 B12R2.136 F[C@H]1C[C@H](C1)O[C@@H]2CCOC2 1b5ed13844eb6c0771aa4be3ab544f8b [0,1,0,2,0,0|1,0,0]=4 42768 B12R2.136 F[C@H]1C[C@H](C1)O[C@H]2CCOC2 8094c10a426dbbef14ce8b3b1e0ad890 [0,1,0,2,0,0|1,0,0]=4 42769 B12R2.136 O=C1CC(C1)OC2CCCC2 bc71beb0313f2c79419cbbd197d54c8d [0,1,0,2,0,0|0,0,1]=4 42770 B12R2.136 OC1CC(C1)NC2CCCC2 0fa9efc3594e5904118434ff2764d608 [0,1,0,2,0,0|1,0,0]=4 42771 B12R2.136 O[C@H]1C[C@@H](C1)NC2CCCC2 5f073f8ec41afc218d368dc9fd3babb9 [0,1,0,2,0,0|1,0,0]=4 42772 B12R2.136 O[C@H]1C[C@H](C1)NC2CCCC2 007d990e52853b48ae73ed9c25dcba21 [0,1,0,2,0,0|1,0,0]=4 42773 B12R2.223 CC1CC(N1C2CCCC2)C c06519f312e4d62781d7dac910ac2504 [0,1,0,2,0,0|1,0,0]=4 42774 B12R2.223 C[C@@H]1C[C@@H](N1C2CCCC2)C 287ecfd98981e49957cbb6e782f8134b [0,1,0,2,0,0|1,0,0]=4 42775 B12R2.223 C[C@@H]1C[C@H](N1C2CCCC2)C fe2a9d3c37ac7e1a362864f41f06651c [0,1,0,2,0,0|1,0,0]=4 42776 B12R2.223 C[C@H]1C[C@@H](N1C2CCCC2)C b580ed5068938486c110e2d07fbf870e [0,1,0,2,0,0|1,0,0]=4 42777 B12R2.1423 CC(NC1CCCC1)C2CC2 51476a62be0de213bf8cf5a311c2d694 [0,1,0,2,0,0|1,0,0]=4 42778 B12R2.1423 CC(OC1CCCC1)C2CC2 d83e8bef23e68059bca9b0ee39391e7b [0,1,0,2,0,0|0,0,0]=3 42779 B12R2.1423 CC(OC1CCCO1)C2CC2 fe91e5746e9f36da6fccd76cebe1a397 [0,1,0,2,0,0|1,0,0]=4 42780 B12R2.1423 CC(OC1CCOC1)C2CC2 8e190274af39805f8ff849c36ef9089d [0,1,0,2,0,0|1,0,0]=4 42781 B12R2.1423 CC(OC1CCSC1)C2CC2 57fde70ed39a78a43909c9341ce44b46 [0,1,0,2,0,0|1,0,0]=4 42782 B12R2.1423 CC(O[C@@H]1CCOC1)C2CC2 164380ab011f0fb7ca903e5ce7015e3d [0,1,0,2,0,0|1,0,0]=4 42783 B12R2.1423 CC(O[C@@H]1CCSC1)C2CC2 94d212c8be788c0f25f6a95338332fc6 [0,1,0,2,0,0|1,0,0]=4 42784 B12R2.1423 CC(O[C@H]1CCOC1)C2CC2 4f73dda3227fc4996e67cc37c4bb1dba [0,1,0,2,0,0|1,0,0]=4 42785 B12R2.1423 CC(O[C@H]1CCSC1)C2CC2 b9fab46b612eb315dfd1f968292c36af [0,1,0,2,0,0|1,0,0]=4 42786 B12R2.1423 C[C@@H](NC1CCCC1)C2CC2 42e078e7905598735ca5c94cabbd1c45 [0,1,0,2,0,0|1,0,0]=4 42787 B12R2.1423 C[C@@H](OC1CCCC1)C2CC2 6166ee07e3ca479558cc109e05d676a3 [0,1,0,2,0,0|0,0,0]=3 42788 B12R2.1423 C[C@@H](OC1CCOC1)C2CC2 d22a48518c6d300490bb070dc68db465 [0,1,0,2,0,0|1,0,0]=4 42789 B12R2.1423 C[C@@H](O[C@@H]1CCOC1)C2CC2 73c66b762aca3f8cc5dd8fc2dc977768 [0,1,0,2,0,0|1,0,0]=4 42790 B12R2.1423 C[C@@H](O[C@H]1CCOC1)C2CC2 ec3fbd83c11067d97a24f5802b94ef24 [0,1,0,2,0,0|1,0,0]=4 42791 B12R2.1423 C[C@H](NC1CCCC1)C2CC2 b6d4d7ffdaa64dec33eadade3be86a52 [0,1,0,2,0,0|1,0,0]=4 42792 B12R2.1423 C[C@H](OC1CCCC1)C2CC2 0872141ff4c5a49e13637f706d0b4574 [0,1,0,2,0,0|0,0,0]=3 42793 B12R2.1423 C[C@H](OC1CCOC1)C2CC2 2ac3b55125e507750e79a62940e5609e [0,1,0,2,0,0|1,0,0]=4 42794 B12R2.1423 C[C@H](O[C@@H]1CCOC1)C2CC2 c15a4cd85bcd2eb6309a2fb4d36549f2 [0,1,0,2,0,0|1,0,0]=4 42795 B12R2.1423 C[C@H](O[C@H]1CCOC1)C2CC2 72164d022283c429aa12b34527718f18 [0,1,0,2,0,0|1,0,0]=4 42796 B12R2.2358 CC1(CCC1)NC2CCCC2 9cd32e446fe90396b2ef4dd67339c44b [0,1,0,2,0,0|1,0,0]=4 42797 B12R2.918 COC[C@@H]1C[C@@H]1NC2CCC2 3387855247b239dfa01e3d2c01219245 [0,1,0,2,0,0|1,0,0]=4 42798 B12R2.918 COC[C@H]1C[C@@H]1NC2CCC2 d152e997bbe28f78ec1740d2c314a638 [0,1,0,2,0,0|1,0,0]=4 42799 B12R2.2063 CCCOC[C@H]1C[C@@H]1C2CC2 29b46604b0a63bb5b4b0a7247e4706f4 [0,1,0,2,0,0|1,0,0]=4 42800 B12R2.2071 COC[C@@H]1C[C@@H]1NCC2CC2 a04a4ba9a9ee97885c7da6da9d5520b1 [0,1,0,2,0,0|1,0,0]=4 42801 B12R2.2071 COC[C@H]1C[C@@H]1NCC2CC2 15005ea5e473052e00d5b103196fc484 [0,1,0,2,0,0|1,0,0]=4 42802 B12R2.3296 CCCCNC1CC12CCC2 aa8e9d42d30bae7d623a524fe58da815 [0,1,0,2,0,0|1,0,0]=4 42803 B12R2.3296 CCCCOC1CC12CCC2 0adafe4e78c19e9d032df820ee3fa773 [0,1,0,2,0,0|0,0,0]=3 42804 B12R2.3296 COCCOC1CC12CCC2 2e1a0ec7cf03b44117f69075fc4ae0f8 [0,1,0,2,0,0|1,0,0]=4 42805 B12R2.3296 CSCCOC1CC12CCC2 b3c1ef380483338d6da89e4062c50a66 [0,1,0,2,0,0|1,0,0]=4 42806 B12R2.3296 FCCCOC1CC12CCC2 95857a294014d15bc9cd35d3a4507657 [0,1,0,2,0,0|1,0,0]=4 42807 B12R2.3296 SCCCOC1CC12CCC2 7430501a5c0aac0850f64ff390f69576 [0,1,0,2,0,0|1,0,0]=4 42808 B12R2.118 C[C@@H]1CC[C@@H]1NC2CC(C2)O feac8cf80c3c7a6839574814b357a618 [0,1,0,2,0,0|1,0,0]=4 42809 B12R2.118 C[C@@H]1CC[C@H]1NC2CC(C2)O 52dbc52f482ed7d01b16a1c82f1b0838 [0,1,0,2,0,0|1,0,0]=4 42810 B12R2.236 CC1CC(C1)CNC2CC2C 826bb08d62f000a36829a2c5e2321f3f [0,1,0,2,0,0|1,0,0]=4 42811 B12R2.236 CC1CC1NCC2CC(C2)O d99d26d02c4a1fa64e8dfdcd99973eaf [0,1,0,2,0,0|1,0,0]=4 42812 B12R2.236 CC1CC1NC[C@H]2C[C@H](C2)F 6e4731b4c0235e33bed90e08726626b6 [0,1,0,2,0,0|1,0,0]=4 42813 B12R2.322 CCC1CCN1C2CC(C2)O c270728e6dc3ef556635350e35c89085 [0,1,0,2,0,0|1,0,0]=4 42814 B12R2.667 C=C1CC(C1)COCC2CC2 59b0af04ef88fc3763c64c0a30d84c45 [0,1,0,2,0,0|0,0,1]=4 42815 B12R2.667 CC1CC(C1)CNCC2CC2 438041749a4f965f1d9e3054d3871d66 [0,1,0,2,0,0|1,0,0]=4 42816 B12R2.667 CC1CC(C1)COCC2CC2 fda0273e2ea725485f5ad418720502a9 [0,1,0,2,0,0|0,0,0]=3 42817 B12R2.667 CC1CC(C1)OCCC2CC2 5f2e037a37d634b4452e3000a5cd2b35 [0,1,0,2,0,0|0,0,0]=3 42818 B12R2.667 CN1CC(C1)COCC2CC2 2d0f1b2fbdddafc4a83acfaa5bc1f23e [0,1,0,2,0,0|1,0,0]=4 42819 B12R2.667 CN1CC(C1)OCCC2CC2 d558dc0a4f3ba1e0e6dff2e55fafb6b0 [0,1,0,2,0,0|1,0,0]=4 42820 B12R2.667 C[C@H]1C[C@@H](C1)COCC2CC2 44830397c5d41e4e76c9fbd691260b1c [0,1,0,2,0,0|0,0,0]=3 42821 B12R2.667 FC1CC(C1)COCC2CC2 5baea362a09be747b3efbf2870a95a61 [0,1,0,2,0,0|0,0,0]=3 42822 B12R2.667 FC1CC(C1)NCCC2CC2 3496dcc7019f72b94b55cfda5681e0e4 [0,1,0,2,0,0|1,0,0]=4 42823 B12R2.667 FC1CC(C1)OCCC2CC2 34bdc10638b4f26e4327427e4968ad09 [0,1,0,2,0,0|0,0,0]=3 42824 B12R2.667 F[C@H]1C[C@@H](C1)NCCC2CC2 99e3907a8a493a940412ea36bdf8fee8 [0,1,0,2,0,0|1,0,0]=4 42825 B12R2.667 F[C@H]1C[C@@H](C1)OCCC2CC2 db11bf79aac84c3756dfdc2b32fcea41 [0,1,0,2,0,0|0,0,0]=3 42826 B12R2.667 F[C@H]1C[C@H](C1)CNCC2CC2 25fb5f133a10625778eec3d3fcc66856 [0,1,0,2,0,0|1,0,0]=4 42827 B12R2.667 F[C@H]1C[C@H](C1)COCC2CC2 221e5c956de9f903cb9aa86b7cd8d8ab [0,1,0,2,0,0|0,0,0]=3 42828 B12R2.667 F[C@H]1C[C@H](C1)NCCC2CC2 8fc5e8fceeb427fa32c6aec8ace760aa [0,1,0,2,0,0|1,0,0]=4 42829 B12R2.667 F[C@H]1C[C@H](C1)OCCC2CC2 7ed0a6b504f806e03f5a38fd2953d203 [0,1,0,2,0,0|0,0,0]=3 42830 B12R2.667 O=C1CC(C1)COCC2CC2 ed79607bb90d9a3be7be18333c3cfb96 [0,1,0,2,0,0|0,0,1]=4 42831 B12R2.667 O=C1CC(C1)OCCC2CC2 5dbdb337efbfe9469c58dbf7dfd6fabc [0,1,0,2,0,0|0,0,1]=4 42832 B12R2.667 OC1CC(C1)CNCC2CC2 c4b758da60bf4bf366fce444dc379606 [0,1,0,2,0,0|1,0,0]=4 42833 B12R2.667 OC1CC(C1)NCCC2CC2 d99ba4181bf17f9d1637cffd641ae5c0 [0,1,0,2,0,0|1,0,0]=4 42834 B12R2.667 O[C@H]1C[C@@H](C1)CNCC2CC2 44e346980a7e75e37ef8ef4831d68b02 [0,1,0,2,0,0|1,0,0]=4 42835 B12R2.667 O[C@H]1C[C@@H](C1)NCCC2CC2 3e71a64d7c692f041e92a8f6521babc5 [0,1,0,2,0,0|1,0,0]=4 42836 B12R2.667 O[C@H]1C[C@H](C1)CNCC2CC2 1bd9f5f09706143fa77b042e19654768 [0,1,0,2,0,0|1,0,0]=4 42837 B12R2.667 O[C@H]1C[C@H](C1)NCCC2CC2 fa406c0013bace0a7b581f71002d7d9c [0,1,0,2,0,0|1,0,0]=4 42838 B12R2.1269 C=C1CC(C1)COC2CCC2 f36d476e6aafd85f45298171198c58e8 [0,1,0,2,0,0|0,0,1]=4 42839 B12R2.1269 CC1CC(C1)CNC2CCC2 e7f8ae8f5605a8fb16199c45a950be96 [0,1,0,2,0,0|1,0,0]=4 42840 B12R2.1269 CC1CC(C1)COC2CCC2 120c69a475d45ddd2de79c7c87577c37 [0,1,0,2,0,0|0,0,0]=3 42841 B12R2.1269 CC1CC(C1)COC2COC2 261d551a3b58e6f8f24125a2f8aac12d [0,1,0,2,0,0|1,0,0]=4 42842 B12R2.1269 CC1CC(C1)COC2CSC2 bd13c2fe0d954c804cb247f7a78f5666 [0,1,0,2,0,0|1,0,0]=4 42843 B12R2.1269 CC1CC(C1)OCC2CCC2 ed369bb0bd06d58e23b3f7cda1f72da2 [0,1,0,2,0,0|0,0,0]=3 42844 B12R2.1269 CC1CC(C1)OCC2CCO2 2a1543d0841bbde7bdaa9b7a4c88f4cf [0,1,0,2,0,0|1,0,0]=4 42845 B12R2.1269 CC1CC(C1)OCC2COC2 2f0adbf1c90f9195877b370267fb66e1 [0,1,0,2,0,0|1,0,0]=4 42846 B12R2.1269 CC1CC(C1)OC[C@@H]2CCO2 6fd300602570564119853b87c67e90f1 [0,1,0,2,0,0|1,0,0]=4 42847 B12R2.1269 CC1CC(C1)OC[C@H]2CCO2 410200f53d55a88d26eca0677683f7a1 [0,1,0,2,0,0|1,0,0]=4 42848 B12R2.1269 CN1CC(C1)COC2CCC2 101556049aaa1505c269b6025d26546c [0,1,0,2,0,0|1,0,0]=4 42849 B12R2.1269 CN1CC(C1)OCC2CCC2 547d49b06c7082b6d658dd662a1bc6c4 [0,1,0,2,0,0|1,0,0]=4 42850 B12R2.1269 C[C@H]1C[C@@H](C1)COC2CCC2 27baa2fbbd6f02ffd79aa6b2020955ff [0,1,0,2,0,0|0,0,0]=3 42851 B12R2.1269 C[C@H]1C[C@@H](C1)COC2COC2 b4a23e3eef5ca99a946c6a096da3c96e [0,1,0,2,0,0|1,0,0]=4 42852 B12R2.1269 FC1CC(C1)COC2CCC2 302a3d65007197af6bacba3c001df20b [0,1,0,2,0,0|0,0,0]=3 42853 B12R2.1269 FC1CC(C1)COC2COC2 13ddfcfbf13e97fd96928a1404c66d1b [0,1,0,2,0,0|1,0,0]=4 42854 B12R2.1269 FC1CC(C1)NCC2CCC2 63bbdbdfadc007b2253c6bd23ccebeb6 [0,1,0,2,0,0|1,0,0]=4 42855 B12R2.1269 FC1CC(C1)OCC2CCC2 3077a35866026edd40c2dbbccc0f8987 [0,1,0,2,0,0|0,0,0]=3 42856 B12R2.1269 FC1CC(C1)OCC2CCO2 4f405cb1162480d003fe5ef10851fc4e [0,1,0,2,0,0|1,0,0]=4 42857 B12R2.1269 FC1CC(C1)OCC2COC2 e5c6a5445239a2d4bb3593eeb1e16734 [0,1,0,2,0,0|1,0,0]=4 42858 B12R2.1269 FC1CC(C1)OC[C@@H]2CCO2 df08cb64879213112c5a219b2ef143e1 [0,1,0,2,0,0|1,0,0]=4 42859 B12R2.1269 FC1CC(C1)OC[C@H]2CCO2 0bfdc59aeec061a7fadf32a81b0b510e [0,1,0,2,0,0|1,0,0]=4 42860 B12R2.1269 F[C@H]1C[C@@H](C1)NCC2CCC2 7f7329c0acafbc37b795f877ddbfd8b5 [0,1,0,2,0,0|1,0,0]=4 42861 B12R2.1269 F[C@H]1C[C@@H](C1)OCC2CCC2 a0a228846a08073eb918de70031002bc [0,1,0,2,0,0|0,0,0]=3 42862 B12R2.1269 F[C@H]1C[C@@H](C1)OCC2CCO2 a7a9c69815227e9cb902977dd1dd8afb [0,1,0,2,0,0|1,0,0]=4 42863 B12R2.1269 F[C@H]1C[C@@H](C1)OCC2COC2 44b1e859d69053f1b2b9ff3067c4001c [0,1,0,2,0,0|1,0,0]=4 42864 B12R2.1269 F[C@H]1C[C@@H](C1)OC[C@@H]2CCO2 52f32c879fab86c8c38f9de49da826ee [0,1,0,2,0,0|1,0,0]=4 42865 B12R2.1269 F[C@H]1C[C@@H](C1)OC[C@H]2CCO2 216a339f9dbaa19975f77a81c2577c2c [0,1,0,2,0,0|1,0,0]=4 42866 B12R2.1269 F[C@H]1C[C@H](C1)CNC2CCC2 aae1fd8699fb1bf0a3e0d2195d9a37d2 [0,1,0,2,0,0|1,0,0]=4 42867 B12R2.1269 F[C@H]1C[C@H](C1)COC2CCC2 035bed568c72120eb2efff50988789db [0,1,0,2,0,0|0,0,0]=3 42868 B12R2.1269 F[C@H]1C[C@H](C1)COC2COC2 bb9371426e2ed0ead3b1c2d2a55099b4 [0,1,0,2,0,0|1,0,0]=4 42869 B12R2.1269 F[C@H]1C[C@H](C1)COC2CSC2 99641e32e309b536d1faa6fb36806ccb [0,1,0,2,0,0|1,0,0]=4 42870 B12R2.1269 F[C@H]1C[C@H](C1)NCC2CCC2 81ff71995c91b30c09b2ee08499a8982 [0,1,0,2,0,0|1,0,0]=4 42871 B12R2.1269 F[C@H]1C[C@H](C1)OCC2CCC2 63a4610fa67a4d2a01ec49c0094ac583 [0,1,0,2,0,0|0,0,0]=3 42872 B12R2.1269 F[C@H]1C[C@H](C1)OCC2CCO2 78bd6c304b0ce008fa84e138635588ea [0,1,0,2,0,0|1,0,0]=4 42873 B12R2.1269 F[C@H]1C[C@H](C1)OCC2COC2 0a1feee7bf16e3dfbf57b4567fece294 [0,1,0,2,0,0|1,0,0]=4 42874 B12R2.1269 F[C@H]1C[C@H](C1)OC[C@@H]2CCO2 4fc7077910c1445ad727da239727fe3d [0,1,0,2,0,0|1,0,0]=4 42875 B12R2.1269 F[C@H]1C[C@H](C1)OC[C@H]2CCO2 52171d206cbc7d9d8f6eab6586031c1f [0,1,0,2,0,0|1,0,0]=4 42876 B12R2.1269 O=C1CC(C1)COC2CCC2 23c63fe792beb8bddfc7ffe02e0db312 [0,1,0,2,0,0|0,0,1]=4 42877 B12R2.1269 O=C1CC(C1)OCC2CCC2 18e2bd2770d70ea0b98a90b709064063 [0,1,0,2,0,0|0,0,1]=4 42878 B12R2.1269 OC1CC(C1)CNC2CCC2 6863648ac73335e6fead04c0eeec24e3 [0,1,0,2,0,0|1,0,0]=4 42879 B12R2.1269 OC1CC(C1)NCC2CCC2 059965cc98da08718558efb6be9b0f9d [0,1,0,2,0,0|1,0,0]=4 42880 B12R2.1269 O[C@H]1C[C@@H](C1)CNC2CCC2 e296b16bd5447c01735e8d2cacaa5d57 [0,1,0,2,0,0|1,0,0]=4 42881 B12R2.1269 O[C@H]1C[C@@H](C1)NCC2CCC2 dc87df7eb394587c91d09b713237ed84 [0,1,0,2,0,0|1,0,0]=4 42882 B12R2.1269 O[C@H]1C[C@H](C1)CNC2CCC2 91b7d3a98f12acda7c82879193251b18 [0,1,0,2,0,0|1,0,0]=4 42883 B12R2.1269 O[C@H]1C[C@H](C1)NCC2CCC2 3f9ceb5e6f8acebadaa485ce81bf5ace [0,1,0,2,0,0|1,0,0]=4 42884 B12R2.1428 CCCCCN1CC2CC1C2 1bde7e3ee13907f7cbec9b86ad43ce0d [0,1,0,2,0,0|1,0,0]=4 42885 B12R2.1428 CCOCCN1CC2CC1C2 6bd304cc3c263528763a4859e170d240 [0,1,0,2,0,0|1,0,0]=4 42886 B12R2.1428 CCSCCN1CC2CC1C2 9f5f0844ea267f4f271c0190697a861d [0,1,0,2,0,0|1,0,0]=4 42887 B12R2.1428 COCCCN1CC2CC1C2 22235b9a6302ad406e88d87590da0743 [0,1,0,2,0,0|1,0,0]=4 42888 B12R2.1428 CSCCCN1CC2CC1C2 e4b3fc197d60663e860f7d140a114335 [0,1,0,2,0,0|1,0,0]=4 42889 B12R2.1428 FCCCCN1CC2CC1C2 672fa88eff75b1812df6c5a9dfab6246 [0,1,0,2,0,0|1,0,0]=4 42890 B12R2.1428 OCCCCN1CC2CC1C2 2501eabf7dbd6beaa8cc867764afd72a [0,1,0,2,0,0|1,0,0]=4 42891 B12R2.1632 CCCCNCC12CC(C1)C2 3947244f83448fadd116d42fdfbdbb80 [0,1,0,2,0,0|1,0,0]=4 42892 B12R2.1632 CCCCOCC12CC(C1)C2 46897f6103fb4b436bdbcca8491e5484 [0,1,0,2,0,0|0,0,0]=3 42893 B12R2.1632 CCOCOCC12CC(C1)C2 b82ff9c87a4d8cf455dcf10cf2565a56 [0,1,0,2,0,0|1,0,0]=4 42894 B12R2.1632 COCCOCC12CC(C1)C2 2a90f48aad69cd809974cd3400d89291 [0,1,0,2,0,0|1,0,0]=4 42895 B12R2.1632 CSCCOCC12CC(C1)C2 0bb89da17c27d5ea472a6181e6913547 [0,1,0,2,0,0|1,0,0]=4 42896 B12R2.1632 FCCCOCC12CC(C1)C2 c8899bd7041b160f462483a0714d22a3 [0,1,0,2,0,0|1,0,0]=4 42897 B12R2.1632 SCCCOCC12CC(C1)C2 90de4fb193e14c2baf989216df39af27 [0,1,0,2,0,0|1,0,0]=4 42898 B12R2.143 CCCN1CCN2CCC2C1 d0f43669c3fc1e2590d25d45e14dda43 [0,1,0,2,0,0|1,0,0]=4 42899 B12R2.148 CCNC1CCC2CC2CC1 901c8aa0bb4c08bfd7793685724cc131 [0,1,0,2,0,0|1,0,0]=4 42900 B12R2.2018 C1CCCN(CCC1)C2CC2 bd64f2953e71b876615bfea97ea191ab [0,1,0,2,0,0|1,0,0]=4 42901 B12R2.4823 CCN1C2CCCC1COC2 edb830a336eec6abcdac4c4d5026ff76 [0,1,0,2,0,0|0,0,0]=3 42902 B12R2.4823 CCN1[C@H]2CCC[C@@H]1CCC2 bc8d03766f5014ea9feecfc54796b382 [0,1,0,2,0,0|1,0,0]=4 42903 B12R2.4823 FCN1C2CCCC1COC2 adfe09177ce440112acf45dd75acf763 [0,1,0,2,0,0|1,0,0]=4 42904 B12R2.4823 OCN1C2CCCC1COC2 c095dad7752984dcf6199f2c02859d9c [0,1,0,2,0,0|1,0,0]=4 42905 B12R2.44 CCN1CCN2CCCC2C1 d7b50540cdb16df1549fc7e5166e00fc [0,1,0,2,0,0|1,0,0]=4 42906 B12R2.44 CCN1CCN2CCC[C@@H]2C1 a0c12b693afc215cd2423c6146481475 [0,1,0,2,0,0|1,0,0]=4 42907 B12R2.44 CCN1CCN2CCC[C@H]2C1 421bf4a6570a5e6a38a295644c668bfc [0,1,0,2,0,0|1,0,0]=4 42908 B12R2.44 CCN1CC[C@H]2CCC[C@H]2C1 7993af2b2fc383826cbab59ddaceb94d [0,1,0,2,0,0|1,0,0]=4 42909 B12R2.211 CC1CC1NC2CCCC2O 311010213856eff32919b908a7b0a61f [0,1,0,2,0,0|1,0,0]=4 42910 B12R2.211 CC1CC1N[C@@H]2CCC[C@H]2O 9914d4a0e61de0784aca42cf2d6a8a85 [0,1,0,2,0,0|1,0,0]=4 42911 B12R2.211 CC1CC1N[C@H]2CCC[C@@H]2O 940723ecb82e73344f5d5242b942f44a [0,1,0,2,0,0|1,0,0]=4 42912 B12R2.466 CC1CCCC1COC2CC2 87cd3af66485f654c3b1d6ba176739b4 [0,1,0,2,0,0|1,0,0]=4 42913 B12R2.466 CC1CCCC1OCC2CC2 e562fbcc65cc975bd61fe8b28c177c1d [0,1,0,2,0,0|0,0,0]=3 42914 B12R2.466 CC1CCCN1CCC2CC2 acc81db794ff7e4f3c85be8cf48d07a6 [0,1,0,2,0,0|1,0,0]=4 42915 B12R2.466 CC1CCOC1COC2CC2 5854eb002774c0faab91ed5e875165ae [0,1,0,2,0,0|0,0,0]=3 42916 B12R2.466 CC1COCC1OCC2CC2 dc8940ba4867c40ee1a0bd1a0c15010f [0,1,0,2,0,0|0,0,0]=3 42917 B12R2.466 CC1SCCN1CCC2CC2 2fe698b4262f792b201f5ee25c040f07 [0,1,0,2,0,0|1,0,0]=4 42918 B12R2.466 C[C@@H]1CCCN1CCC2CC2 508be0ba15992040f4125ddeef20338a [0,1,0,2,0,0|1,0,0]=4 42919 B12R2.466 C[C@@H]1CCC[C@@H]1OCC2CC2 e75207a02181aecf867b8e6b82dd6b23 [0,1,0,2,0,0|0,0,0]=3 42920 B12R2.466 C[C@@H]1CCC[C@H]1OCC2CC2 e8c2affc8ac558d7db44e5ba8004a63d [0,1,0,2,0,0|0,0,0]=3 42921 B12R2.466 C[C@@H]1COC[C@@H]1OCC2CC2 820653b3465d11b73993b38edefca013 [0,1,0,2,0,0|0,0,0]=3 42922 B12R2.466 C[C@H]1CCCN1CCC2CC2 fc0d0974512ba7185d5d8543a597d174 [0,1,0,2,0,0|1,0,0]=4 42923 B12R2.466 C[C@H]1CCC[C@@H]1OCC2CC2 ee736a69e66f6b650044a71c473d2fde [0,1,0,2,0,0|0,0,0]=3 42924 B12R2.466 C[C@H]1CCC[C@H]1OCC2CC2 45d6566ebb1b7e9084ff9a24639958cf [0,1,0,2,0,0|0,0,0]=3 42925 B12R2.466 C[C@H]1COC[C@@H]1OCC2CC2 4e4a9862c1e082862f406e9830767d6b [0,1,0,2,0,0|0,0,0]=3 42926 B12R2.466 C[C@H]1COC[C@H]1OCC2CC2 85d7e42051ab959b1e3d6490aaa25523 [0,1,0,2,0,0|0,0,0]=3 42927 B12R2.466 FC1COCC1OCC2CC2 ae424589565b9f81dc19cc841aad4550 [0,1,0,2,0,0|1,0,0]=4 42928 B12R2.466 F[C@@H]1CCC[C@H]1OCC2CC2 e0676621a7aa93ef6fa406371e5560ef [0,1,0,2,0,0|0,0,0]=3 42929 B12R2.466 F[C@@H]1COC[C@@H]1OCC2CC2 2f07001a5ef478b5fb36584eb57fd123 [0,1,0,2,0,0|1,0,0]=4 42930 B12R2.466 F[C@@H]1COC[C@H]1OCC2CC2 8651493c8c996949e3946b5811bfeda0 [0,1,0,2,0,0|1,0,0]=4 42931 B12R2.466 O=C1CCCC1OCC2CC2 4da69ee00cb161d0484b37b7dcf74339 [0,1,0,2,0,0|0,0,1]=4 42932 B12R2.466 OC1CCCC1NCC2CC2 2c39fe57f51e806987d0a67b893e9720 [0,1,0,2,0,0|1,0,0]=4 42933 B12R2.466 OC1CCCN1CCC2CC2 50760884ab889cac654e7ac01332d983 [0,1,0,2,0,0|1,0,0]=4 42934 B12R2.466 O[C@@H]1CCC[C@@H]1NCC2CC2 08804556f6cd494ba1470062b2403ff9 [0,1,0,2,0,0|1,0,0]=4 42935 B12R2.466 O[C@@H]1CCC[C@H]1NCC2CC2 084f736c9ddb8e4f2183d35dd9b024ef [0,1,0,2,0,0|1,0,0]=4 42936 B12R2.466 O[C@H]1CCC[C@@H]1NCC2CC2 6004378f10058e49811f9ecb7a33574a [0,1,0,2,0,0|1,0,0]=4 42937 B12R2.466 O[C@H]1CCC[C@H]1NCC2CC2 357e920544bf5f9c30f75407e41fd9f1 [0,1,0,2,0,0|1,0,0]=4 42938 B12R2.1114 CC1CCCC1OC2CCC2 392be3d32ef2850782730fc8aa5e5227 [0,1,0,2,0,0|0,0,0]=3 42939 B12R2.1114 CC1CCCC1OC2COC2 b34e6d30b5536ba3b3031421bd4f258c [0,1,0,2,0,0|1,0,0]=4 42940 B12R2.1114 CC1CCCN1CC2CCC2 2030ca26a6dda741b7b913383a3a3b6c [0,1,0,2,0,0|1,0,0]=4 42941 B12R2.1114 CC1CCCN1CC2CCO2 57761a1c95dbe633339f8455d3551908 [0,1,0,2,0,0|1,0,0]=4 42942 B12R2.1114 CC1CCCN1CC2COC2 5b1d0ad79f71731210a98cef56b29093 [0,1,0,2,0,0|1,0,0]=4 42943 B12R2.1114 CC1CCCN1C[C@@H]2CCO2 be4b8ef30fe210220712fe1d8bec280b [0,1,0,2,0,0|1,0,0]=4 42944 B12R2.1114 CC1CCCN1C[C@H]2CCO2 49e0c2eaa51e8797f21e6fdd99e662b6 [0,1,0,2,0,0|1,0,0]=4 42945 B12R2.1114 CC1COCC1OC2CCC2 1ae85c5fd6796c10420dbad32cd775a3 [0,1,0,2,0,0|0,0,0]=3 42946 B12R2.1114 CC1COCC1OC2COC2 16e772493471862f94fad649c8931eac [0,1,0,2,0,0|1,0,0]=4 42947 B12R2.1114 CC1SCCN1CC2CCC2 76e44bd5e3e5dfc91c9d7ec9be0c6913 [0,1,0,2,0,0|1,0,0]=4 42948 B12R2.1114 C[C@@H]1CCCN1CC2CCC2 83b46e298fcbb37e57e8558270bca973 [0,1,0,2,0,0|1,0,0]=4 42949 B12R2.1114 C[C@@H]1CCCN1CC2CCO2 2e59c9009cc77baa2acb1ca5fc0a5839 [0,1,0,2,0,0|1,0,0]=4 42950 B12R2.1114 C[C@@H]1CCCN1CC2COC2 4a5a38740835b45081c815eb218265e5 [0,1,0,2,0,0|1,0,0]=4 42951 B12R2.1114 C[C@@H]1CCCN1C[C@@H]2CCO2 d02b6aaf50c24bd6145e563a3e785c8a [0,1,0,2,0,0|1,0,0]=4 42952 B12R2.1114 C[C@@H]1CCCN1C[C@H]2CCO2 7eb5f577fcfa200c2fc5ebaf45d0a35d [0,1,0,2,0,0|1,0,0]=4 42953 B12R2.1114 C[C@@H]1CCC[C@@H]1OC2CCC2 9565f1b9845366140d6f51fe003999bf [0,1,0,2,0,0|0,0,0]=3 42954 B12R2.1114 C[C@@H]1CCC[C@@H]1OC2COC2 57c216a3bdec11b9e96557065a89d2bf [0,1,0,2,0,0|1,0,0]=4 42955 B12R2.1114 C[C@@H]1CCC[C@H]1OC2CCC2 518bdb1670e6e9a31fc27b131905a092 [0,1,0,2,0,0|0,0,0]=3 42956 B12R2.1114 C[C@@H]1CCC[C@H]1OC2COC2 6d97b65b50f6380003b3952a19f934f9 [0,1,0,2,0,0|1,0,0]=4 42957 B12R2.1114 C[C@@H]1COC[C@@H]1OC2CCC2 2223d4f6e7648330f5d979d114c04fd2 [0,1,0,2,0,0|0,0,0]=3 42958 B12R2.1114 C[C@@H]1COC[C@@H]1OC2COC2 c4a58d63ef65c4b4458d1b1ccede43da [0,1,0,2,0,0|1,0,0]=4 42959 B12R2.1114 C[C@H]1CCCN1CC2CCC2 54abbb0e757b4a5088b2a6ad088f7b2b [0,1,0,2,0,0|1,0,0]=4 42960 B12R2.1114 C[C@H]1CCCN1CC2CCO2 696518081588b9b1515a88324225ddff [0,1,0,2,0,0|1,0,0]=4 42961 B12R2.1114 C[C@H]1CCCN1CC2COC2 6402f8daca75f1120eaec1478ede3b6a [0,1,0,2,0,0|1,0,0]=4 42962 B12R2.1114 C[C@H]1CCCN1C[C@@H]2CCO2 298965266a727fc2506707a7fdedf77b [0,1,0,2,0,0|1,0,0]=4 42963 B12R2.1114 C[C@H]1CCCN1C[C@H]2CCO2 675d08b64d023ddf3a406da8f83c214e [0,1,0,2,0,0|1,0,0]=4 42964 B12R2.1114 C[C@H]1CCC[C@@H]1OC2CCC2 b04c330dfb6f634146990b77a5eb13bd [0,1,0,2,0,0|0,0,0]=3 42965 B12R2.1114 C[C@H]1CCC[C@@H]1OC2COC2 6e527598854437ac803c2d558cae0ee3 [0,1,0,2,0,0|1,0,0]=4 42966 B12R2.1114 C[C@H]1CCC[C@H]1OC2CCC2 71ba998444e0ea078700a1aed6d00daf [0,1,0,2,0,0|0,0,0]=3 42967 B12R2.1114 C[C@H]1CCC[C@H]1OC2COC2 7601223b038447cbcdcd90a602925f7e [0,1,0,2,0,0|1,0,0]=4 42968 B12R2.1114 C[C@H]1COC[C@@H]1OC2CCC2 feceb4a47d3bf7ce601552210ad95754 [0,1,0,2,0,0|0,0,0]=3 42969 B12R2.1114 C[C@H]1COC[C@@H]1OC2COC2 95aa81a908bd9a574f3fccd6837b4969 [0,1,0,2,0,0|1,0,0]=4 42970 B12R2.1114 C[C@H]1COC[C@H]1OC2CCC2 b89a0d6c432f744d4d84b3de22294a7c [0,1,0,2,0,0|0,0,0]=3 42971 B12R2.1114 C[C@H]1COC[C@H]1OC2COC2 6f062263d85b6ccde2a1b80f37112965 [0,1,0,2,0,0|1,0,0]=4 42972 B12R2.1114 FC1COCC1OC2CCC2 43528fc814a212992d03d693dd9c7216 [0,1,0,2,0,0|1,0,0]=4 42973 B12R2.1114 F[C@@H]1CCC[C@H]1OC2CCC2 dda4bc29475311e0a37e3728510b0710 [0,1,0,2,0,0|0,0,0]=3 42974 B12R2.1114 F[C@@H]1CCC[C@H]1OC2COC2 256e04794656c4c3fc082606adaaca43 [0,1,0,2,0,0|1,0,0]=4 42975 B12R2.1114 F[C@@H]1COC[C@@H]1OC2CCC2 b4430e4181265d99146e39389efeeedf [0,1,0,2,0,0|1,0,0]=4 42976 B12R2.1114 F[C@@H]1COC[C@H]1OC2CCC2 e098229cd498c518e9e21a85cb2feb71 [0,1,0,2,0,0|1,0,0]=4 42977 B12R2.1114 OC1CCCC1NC2CCC2 a5ebcff617810bc1138e59a0b107dd65 [0,1,0,2,0,0|1,0,0]=4 42978 B12R2.1114 OC1CCCN1CC2CCC2 88af73ec83f53a34f711e9ff4c5f570e [0,1,0,2,0,0|1,0,0]=4 42979 B12R2.1114 O[C@@H]1CCC[C@@H]1NC2CCC2 ccc5a09c2fdedd0f87f7da373e30d9ec [0,1,0,2,0,0|1,0,0]=4 42980 B12R2.1114 O[C@@H]1CCC[C@H]1NC2CCC2 6a872879699c138d83363e5f622f9fde [0,1,0,2,0,0|1,0,0]=4 42981 B12R2.1114 O[C@H]1CCC[C@@H]1NC2CCC2 ea6ba70f7c5347a9ac616aeda98245d5 [0,1,0,2,0,0|1,0,0]=4 42982 B12R2.1114 O[C@H]1CCC[C@H]1NC2CCC2 ce51a7b37dd76e75344398f65d2ed281 [0,1,0,2,0,0|1,0,0]=4 42983 B12R2.1974 CCCCCN1CCC2C1C2 55c96d0ead90e687dde3ae25d5d758f0 [0,1,0,2,0,0|1,0,0]=4 42984 B12R2.1974 CCCCOC1CCC2C1C2 cb56e346d162f30d9004fe76fb70526a [0,1,0,2,0,0|0,0,0]=3 42985 B12R2.1974 CCCCO[C@@H]1CC[C@@H]2[C@H]1C2 acb25ec6cb2cebdf934c1d093ac1eba1 [0,1,0,2,0,0|0,0,0]=3 42986 B12R2.1974 CCOCCN1CCC2C1C2 5f6b6a26393e03461060191212de4245 [0,1,0,2,0,0|1,0,0]=4 42987 B12R2.1974 CCOCOC1CCC2C1C2 cb3d1ee9b5e7e35b8eb6d9ea5596ff6b [0,1,0,2,0,0|1,0,0]=4 42988 B12R2.1974 CCOCO[C@@H]1CC[C@@H]2[C@H]1C2 fae54df583f25bd11c94ee6fb0b44cf9 [0,1,0,2,0,0|1,0,0]=4 42989 B12R2.1974 CCSCCN1CCC2C1C2 183d1c315ef38fde4849f0f4473c36b6 [0,1,0,2,0,0|1,0,0]=4 42990 B12R2.1974 COCCCN1CCC2C1C2 7eca6ed9a890cfe46d2d3e07835dedaa [0,1,0,2,0,0|1,0,0]=4 42991 B12R2.1974 COCCOC1CCC2C1C2 cd6a1ceea54a18f1fc474fa1308dfe53 [0,1,0,2,0,0|1,0,0]=4 42992 B12R2.1974 COCCO[C@@H]1CC[C@@H]2[C@H]1C2 4051b7db26d3d3f7871459d6f506e2da [0,1,0,2,0,0|1,0,0]=4 42993 B12R2.1974 CSCCCN1CCC2C1C2 50ab5712af377ab5b74dc2faf9ced39f [0,1,0,2,0,0|1,0,0]=4 42994 B12R2.1974 CSCCOC1CCC2C1C2 319fe9e836424cacfc501fe64fa5941a [0,1,0,2,0,0|1,0,0]=4 42995 B12R2.1974 CSCCO[C@@H]1CC[C@@H]2[C@H]1C2 a3f791a6dad15ba3c35ebb6e3fe1cd54 [0,1,0,2,0,0|1,0,0]=4 42996 B12R2.1974 FCCCCN1CCC2C1C2 cefc69d2744ddc55456d7cdc76e216d3 [0,1,0,2,0,0|1,0,0]=4 42997 B12R2.1974 FCCCOC1CCC2C1C2 31158efbed51fc026664d35856697fa3 [0,1,0,2,0,0|1,0,0]=4 42998 B12R2.1974 FCCCO[C@@H]1CC[C@@H]2[C@H]1C2 75eb3c34f4585dae97d8331dce393afb [0,1,0,2,0,0|1,0,0]=4 42999 B12R2.1974 OCCCCN1CCC2C1C2 f84e222de4923bf70b70852b2b7f6505 [0,1,0,2,0,0|1,0,0]=4 43000 B12R2.1974 SCCCOC1CCC2C1C2 1e3bfd9e01f9c1d57efba6741d3f75d2 [0,1,0,2,0,0|1,0,0]=4 43001 B12R2.1974 SCCCO[C@@H]1CC[C@@H]2[C@H]1C2 ea5c3d8dff74051a6e8c5f028ce3e825 [0,1,0,2,0,0|1,0,0]=4 43002 B12R2.43 CCN1CCOC(C1)C2CC2 f629a865e2a900df78bdcebd28ffcd5a [0,1,0,2,0,0|1,0,0]=4 43003 B12R2.4446 CCN1CCOC2(C1)CCC2 3153c10850fad67110c393ceb0794cfe [0,1,0,2,0,0|1,0,0]=4 43004 B12R2.1472 CCCC(C)N1CC2CC1C2 6fc490b6bdf7c616e34b6163a020b9da [0,1,0,2,0,0|1,0,0]=4 43005 B12R2.2372 CC(C1CC1)N2CCC[C@@H]2C 24377ad04baf49e70a73e58d34f1b9d0 [0,1,0,2,0,0|1,0,0]=4 43006 B12R2.2372 CC(C1CC1)N2CCC[C@H]2C 3804bd28bf97a38cd64faa7fb8338a5c [0,1,0,2,0,0|1,0,0]=4 43007 B12R2.2372 CC1CCCN1C(C)C2CC2 dad53e3ef99456f4e7b439211842e890 [0,1,0,2,0,0|1,0,0]=4 43008 B12R2.1937 CCC1CCN1C(C)C2CC2 fa7808a57ee6609a20030caf1c721e25 [0,1,0,2,0,0|1,0,0]=4 43009 B12R2.903 CCCC1CN(C1)CC2CC2 dfe3bf6d7d181a50d54ac2dd63808a9d [0,1,0,2,0,0|1,0,0]=4 43010 B12R2.904 CCCC1CN(C1)C2CCC2 3b57135898a0d349c247ba46d40cc161 [0,1,0,2,0,0|1,0,0]=4 43011 B12R2.1528 CCCCN1CC2(C1)CCC2 fe55cf3cf183943b0f48a5933542d633 [0,1,0,2,0,0|1,0,0]=4 43012 B12R2.347 CC1CC1COC2CC2C=O 3d9936fbe7db2d90508944a981ee128c [0,1,0,2,0,0|0,0,1]=4 43013 B12R2.347 C[C@@H]1C[C@H]1COC2CC2C=O 38c67bfce7a29d386e8eb875bd8eb1aa [0,1,0,2,0,0|0,0,1]=4 43014 B12R2.347 C[C@H]1C[C@@H]1COC2CC2C=O b997c30fab77d20350b3a4e2f30a4db0 [0,1,0,2,0,0|0,0,1]=4 43015 B12R2.347 C[C@H]1C[C@H]1COC2CC2C=O 8a2c56557f5cc56b9fdb3106b67951a3 [0,1,0,2,0,0|0,0,1]=4 43016 B12R2.1630 CCCCNCC1CC12CC2 647463de9bf2187123d4652392583c53 [0,1,0,2,0,0|1,0,0]=4 43017 B12R2.1630 CCCCOCC1CC12CC2 370ef4b71fba22a0a132d79880dc9523 [0,1,0,2,0,0|0,0,0]=3 43018 B12R2.1630 CCCOCCC1CC12CC2 68a3356d8b9d6c95ad55b819258546c4 [0,1,0,2,0,0|1,0,0]=4 43019 B12R2.1630 COCCOCC1CC12CC2 0cacd57cb1baa6eb7f5d9a75679820e3 [0,1,0,2,0,0|1,0,0]=4 43020 B12R2.1630 CSCCOCC1CC12CC2 cb9f36bd59a9cf5c9ab719618cd79e9e [0,1,0,2,0,0|1,0,0]=4 43021 B12R2.1630 FCCCOCC1CC12CC2 88b7b60e274e8c9d544cd61a147e050e [0,1,0,2,0,0|1,0,0]=4 43022 B12R2.1630 SCCCOCC1CC12CC2 7078caa017c6bc25551775f4ccfedec3 [0,1,0,2,0,0|1,0,0]=4 43023 B12R2.1691 C#C[C@H]1C[C@H]1COCC2CC2 052cf6d04276b1bbb7fde19f69742381 [0,1,0,2,0,0|0,0,1]=4 43024 B12R2.1691 CO[C@H]1C[C@H]1NCCC2CC2 341f0dd5a0429106b4321006e58d3cbf [0,1,0,2,0,0|1,0,0]=4 43025 B12R2.1691 N#CC1CC1COCC2CC2 e37e6bd0458c89ce0769aa470f6b3a25 [0,1,0,2,0,0|0,0,1]=4 43026 B12R2.1691 O=CC1CC1OCCC2CC2 999247cb4309c0bdf45a793d411a9b02 [0,1,0,2,0,0|0,0,1]=4 43027 B12R2.1691 OCC1CC1CNCC2CC2 a348eaaad33d95fe1fc7a678034de029 [0,1,0,2,0,0|1,0,0]=4 43028 B12R2.1691 OC[C@@H]1C[C@@H]1NCCC2CC2 5860384c27b169202b2724e15a602bb8 [0,1,0,2,0,0|1,0,0]=4 43029 B12R2.1691 OC[C@@H]1C[C@H]1NCCC2CC2 9549a84c8c70f97b642ae251e0f5920c [0,1,0,2,0,0|1,0,0]=4 43030 B12R2.1691 OC[C@H]1C[C@@H]1NCCC2CC2 5be42319022d28b805b4ad3bb838542b [0,1,0,2,0,0|1,0,0]=4 43031 B12R2.1902 C#C[C@H]1C[C@H]1COC2CCC2 539183e5cb5c843efd6937ef6c2d1c54 [0,1,0,2,0,0|0,0,1]=4 43032 B12R2.1902 CO[C@H]1C[C@H]1NCC2CCC2 6153d6fa47a09433f620db19174938c6 [0,1,0,2,0,0|1,0,0]=4 43033 B12R2.1902 N#CC1CC1COC2CCC2 34753046d8c6f9353461128f12e547ab [0,1,0,2,0,0|0,0,1]=4 43034 B12R2.1902 O=CC1CC1OCC2CCC2 25aff628ecd15fcb932a551e514957c3 [0,1,0,2,0,0|0,0,1]=4 43035 B12R2.1902 OCC1CC1CNC2CCC2 c593e9af9a63d41b56a4009ea87f34b1 [0,1,0,2,0,0|1,0,0]=4 43036 B12R2.1902 OC[C@@H]1C[C@@H]1NCC2CCC2 579e018673dda0adff85bbadf48c0183 [0,1,0,2,0,0|1,0,0]=4 43037 B12R2.1902 OC[C@@H]1C[C@H]1NCC2CCC2 b5777f7d252b4530cf857d0b455d8f14 [0,1,0,2,0,0|1,0,0]=4 43038 B12R2.1902 OC[C@H]1C[C@@H]1NCC2CCC2 324e53a1c25fef70cd60d795a9a56719 [0,1,0,2,0,0|1,0,0]=4 43039 B12R2.2310 C[C@@H]1C[C@@H](CN1CC2CC2)F d8f6216a55d417aef6fdba20318c5497 [0,1,0,2,0,0|1,0,0]=4 43040 B12R2.2310 C[C@@H]1C[C@@H](CN1CC2CC2)O b3a829b14b6e50a1590be290bb9f4004 [0,1,0,2,0,0|1,0,0]=4 43041 B12R2.2310 C[C@@H]1C[C@H](CN1CC2CC2)F c95bd6517fc9c7233fb39a7f3081e64e [0,1,0,2,0,0|1,0,0]=4 43042 B12R2.2310 C[C@@H]1C[C@H](CN1CC2CC2)O 808581e52445dded665ab03a2508a0dc [0,1,0,2,0,0|1,0,0]=4 43043 B12R2.2310 C[C@H]1C[C@@H](CN1CC2CC2)F 2b77d5fbdfb6fa72b86bcf2fe5f89521 [0,1,0,2,0,0|1,0,0]=4 43044 B12R2.2310 C[C@H]1C[C@@H](CN1CC2CC2)O 71d08210c66ce97da471ecdf69513da6 [0,1,0,2,0,0|1,0,0]=4 43045 B12R2.2310 C[C@H]1C[C@H](CN1CC2CC2)F d7716a84010cf65a61e726637aa5e5b9 [0,1,0,2,0,0|1,0,0]=4 43046 B12R2.2310 C[C@H]1C[C@H](CN1CC2CC2)O 3c158a67098129ddb748639f17bb1f0b [0,1,0,2,0,0|1,0,0]=4 43047 B12R2.419 CC(OC[C@@H]1C[C@@H]1C)C2CC2 c57a2f7fb5e2703e0f53f3d8ac770d60 [0,1,0,2,0,0|0,0,0]=3 43048 B12R2.419 CC(OC[C@@H]1C[C@@H]1F)C2CC2 585d26f643d222403491ea4d983999ec [0,1,0,2,0,0|1,0,0]=4 43049 B12R2.419 CC(OC[C@@H]1C[C@H]1C)C2CC2 ad4d444c05f283cbd0cbd333502c01c5 [0,1,0,2,0,0|0,0,0]=3 43050 B12R2.419 CC(OC[C@@H]1C[C@H]1F)C2CC2 20644350c37f5b025236a854255c4815 [0,1,0,2,0,0|1,0,0]=4 43051 B12R2.419 CC(OC[C@H]1C[C@@H]1C)C2CC2 1b31a0b8fe610ae2024352fe62ce6d56 [0,1,0,2,0,0|0,0,0]=3 43052 B12R2.419 CC(OC[C@H]1C[C@@H]1F)C2CC2 75dcb16d1cc498766678c5960137e6b8 [0,1,0,2,0,0|1,0,0]=4 43053 B12R2.419 CC(OC[C@H]1C[C@H]1F)C2CC2 cf5db468561ecd36133a8a85c64dfa68 [0,1,0,2,0,0|1,0,0]=4 43054 B12R2.419 CC1CC1COC(C)C2CC2 2d1865363bb0dc3912dfe6ee372c84f0 [0,1,0,2,0,0|0,0,0]=3 43055 B12R2.419 CC1CC1NCC(O)C2CC2 eb2b877d24dec7888b0a077ce70f0df0 [0,1,0,2,0,0|1,0,0]=4 43056 B12R2.1244 CC1CC1NCC2(CCC2)C e7d2d03be8f3c0e62cfde6ec45d2405f [0,1,0,2,0,0|1,0,0]=4 43057 B12R2.1315 CC1CC(N1CC2CCC2)C 5a0f945221d4f40082c38fc15703e5a9 [0,1,0,2,0,0|1,0,0]=4 43058 B12R2.1315 C[C@@H]1C[C@@H](N1CC2CCC2)C 88c84042e90165dc14454b902efa2ea9 [0,1,0,2,0,0|1,0,0]=4 43059 B12R2.1315 C[C@@H]1C[C@H](N1CC2CCC2)C 08ae61c2229f2b128412f2b71f09defa [0,1,0,2,0,0|1,0,0]=4 43060 B12R2.1315 C[C@H]1C[C@@H](N1CC2CCC2)C e17ba71d2459f1fab4f84d016371d575 [0,1,0,2,0,0|1,0,0]=4 43061 B12R2.4795 CC(COC1CCC1)C2CC2 15ea15a13ae1db12941fec476eb7e2c4 [0,1,0,2,0,0|0,0,0]=3 43062 B12R2.4795 CC(COC1COC1)C2CC2 baea734022a4f94ca72c5b5b4f8ebf33 [0,1,0,2,0,0|1,0,0]=4 43063 B12R2.4795 CC(NCC1CCC1)C2CC2 79dbd0d130d0f322c7dc39f530227e6f [0,1,0,2,0,0|1,0,0]=4 43064 B12R2.4795 CC(OCC1CCC1)C2CC2 7e3cd7619eb63509da9b2edc0c2ee08b [0,1,0,2,0,0|0,0,0]=3 43065 B12R2.4795 CC(OCC1CCO1)C2CC2 507575703f79638c8e7812284fd3c588 [0,1,0,2,0,0|1,0,0]=4 43066 B12R2.4795 CC(OCC1COC1)C2CC2 5484cb8a11e46217b9173ca92dc37c97 [0,1,0,2,0,0|1,0,0]=4 43067 B12R2.4795 CC(OCC1CSC1)C2CC2 8ba6db4296614c12f8831e56f5786f3e [0,1,0,2,0,0|1,0,0]=4 43068 B12R2.4795 CC(OC[C@@H]1CCO1)C2CC2 836fcf9bb9be453bbea8363fee8c5ded [0,1,0,2,0,0|1,0,0]=4 43069 B12R2.4795 CC(OC[C@H]1CCO1)C2CC2 44480cabaab009b6b289e88e98ffc0b5 [0,1,0,2,0,0|1,0,0]=4 43070 B12R2.4795 C[C@@H](NCC1CCC1)C2CC2 38d5457c1e82b1af6d076814dff78e7a [0,1,0,2,0,0|1,0,0]=4 43071 B12R2.4795 C[C@@H](OCC1CCC1)C2CC2 fef0f7d9174008099e5ac974a2a5c120 [0,1,0,2,0,0|0,0,0]=3 43072 B12R2.4795 C[C@@H](OCC1CCO1)C2CC2 726a923c8f3b824c2caae0cdc6d67be6 [0,1,0,2,0,0|1,0,0]=4 43073 B12R2.4795 C[C@@H](OCC1COC1)C2CC2 2bb5603ae88b22941331f46d0310fe15 [0,1,0,2,0,0|1,0,0]=4 43074 B12R2.4795 C[C@@H](OC[C@@H]1CCO1)C2CC2 08dd099d87d153ddce472b27628f9515 [0,1,0,2,0,0|1,0,0]=4 43075 B12R2.4795 C[C@@H](OC[C@H]1CCO1)C2CC2 3153da894040959e2af2a371f7e45190 [0,1,0,2,0,0|1,0,0]=4 43076 B12R2.4795 C[C@H](NCC1CCC1)C2CC2 23e769a226572977ba627cbf8cbd88b6 [0,1,0,2,0,0|1,0,0]=4 43077 B12R2.4795 C[C@H](OCC1CCC1)C2CC2 a97fb5320d2884f4be052ee9cae2d396 [0,1,0,2,0,0|0,0,0]=3 43078 B12R2.4795 C[C@H](OCC1CCO1)C2CC2 5103eaa42ac614cd39507e7c3477d431 [0,1,0,2,0,0|1,0,0]=4 43079 B12R2.4795 C[C@H](OCC1COC1)C2CC2 f8fda49c31396e21ab458dc6f234fe75 [0,1,0,2,0,0|1,0,0]=4 43080 B12R2.4795 C[C@H](OC[C@@H]1CCO1)C2CC2 13614d11bca37f65d3d1e06cfaa69b44 [0,1,0,2,0,0|1,0,0]=4 43081 B12R2.4795 C[C@H](OC[C@H]1CCO1)C2CC2 a471ee277a5fd60e9a5356c181911238 [0,1,0,2,0,0|1,0,0]=4 43082 B12R2.4795 O=C(COC1CCC1)C2CC2 23dd459ad286d18e9fe82584fb2a9c4d [0,1,0,2,0,0|0,0,1]=4 43083 B12R2.4795 OC(CNC1CCC1)C2CC2 f91d86e55f1238e6c25470499161676e [0,1,0,2,0,0|1,0,0]=4 43084 B12R2.5434 CC1(CC1F)COC2CCC2 f522943bc48064c0df58267ca01ac236 [0,1,0,2,0,0|1,0,0]=4 43085 B12R2.5582 CC1(CCC1)CNC2CCC2 d5cbfa103ce2e1a6d59d2a195a2937c8 [0,1,0,2,0,0|1,0,0]=4 43086 B12R2.5582 CC1(CCC1)COC2CCC2 5e2af073d7b0286d16b0803f5d025aa7 [0,1,0,2,0,0|0,0,0]=3 43087 B12R2.5582 CC1(CCC1)COC2COC2 3b835b5044bd9d71245e0683ccd5bece [0,1,0,2,0,0|1,0,0]=4 43088 B12R2.5582 CC1(CCC1)COC2CSC2 aae1e8064616c8164343ab2452e43773 [0,1,0,2,0,0|1,0,0]=4 43089 B12R2.5582 CC1(CCC1)NCC2CCC2 52683cc0d669dc2d8dda5c5732b3fa6b [0,1,0,2,0,0|1,0,0]=4 43090 B12R2.5582 CC1(CCO1)COC2CCC2 3be30c9b92ef4b6ea42ff8fb842b0a88 [0,1,0,2,0,0|1,0,0]=4 43091 B12R2.5582 CC1(COC1)COC2CCC2 aded204e69ed8106f05cb67eedbb7c5a [0,1,0,2,0,0|1,0,0]=4 43092 B12R2.5582 CC1(CSC1)COC2CCC2 7f6c7a397fac3a8daadf977b047acbcb [0,1,0,2,0,0|1,0,0]=4 43093 B12R2.5582 C[C@@]1(CCO1)COC2CCC2 869b214cdb973adb7455bfb975f7ad23 [0,1,0,2,0,0|1,0,0]=4 43094 B12R2.5582 C[C@]1(CCO1)COC2CCC2 e2dc5038c2fa612d63b44a5550e3bf13 [0,1,0,2,0,0|1,0,0]=4 43095 B12R2.5582 FC1(CCC1)COC2CCC2 623076dbf917784b42ba3ced5b089007 [0,1,0,2,0,0|0,0,0]=3 43096 B12R2.5582 FC1(CCC1)COC2COC2 22f493839c09d2b346a977ac80ec8d5c [0,1,0,2,0,0|1,0,0]=4 43097 B12R2.5582 FC1(COC1)COC2CCC2 ad998e267fe36eecd3115b501fdf36f5 [0,1,0,2,0,0|1,0,0]=4 43098 B12R2.5582 OC1(CCC1)CNC2CCC2 99d1e400165dfdea5748a42e7e86c73f [0,1,0,2,0,0|1,0,0]=4 43099 B12R2.137 CC1CC(N1CCC2CC2)C 453dcd355a2422aba09a248459bb997a [0,1,0,2,0,0|1,0,0]=4 43100 B12R2.137 C[C@@H]1C[C@@H](N1CCC2CC2)C 52075d343ab00cadc6ffaedd80ecbb53 [0,1,0,2,0,0|1,0,0]=4 43101 B12R2.137 C[C@@H]1C[C@H](N1CCC2CC2)C 98de08afa9346a239f3a35b20e830f98 [0,1,0,2,0,0|1,0,0]=4 43102 B12R2.137 C[C@H]1C[C@@H](N1CCC2CC2)C c7d874bd19e0d57b59ae02d8fff9b540 [0,1,0,2,0,0|1,0,0]=4 43103 B12R2.1263 CC1(CC1F)COCC2CC2 16bb85c8d5e1c50e9400bedc13fafcd0 [0,1,0,2,0,0|1,0,0]=4 43104 B12R2.4794 CC(COCC1CC1)C2CC2 de9340901322a27e119bfbcbd7a6b775 [0,1,0,2,0,0|0,0,0]=3 43105 B12R2.4794 CC(NCCC1CC1)C2CC2 4dba68503d86c9d87208cc94b59479e0 [0,1,0,2,0,0|1,0,0]=4 43106 B12R2.4794 CC(OCCC1CC1)C2CC2 121a1977e3c3b6db47123ce72735279c [0,1,0,2,0,0|0,0,0]=3 43107 B12R2.4794 CC(OCCN1CC1)C2CC2 e6135281cf584bdc204e85460b78c039 [0,1,0,2,0,0|1,0,0]=4 43108 B12R2.4794 C[C@@H](NCCC1CC1)C2CC2 16df8f5ef1af1d7bdefe3000dc0a28da [0,1,0,2,0,0|1,0,0]=4 43109 B12R2.4794 C[C@@H](OCCC1CC1)C2CC2 8890041a8f4511a41385c08bdf8b53ae [0,1,0,2,0,0|0,0,0]=3 43110 B12R2.4794 C[C@H](NCCC1CC1)C2CC2 0366fbda8d37eb214b08385e395a1067 [0,1,0,2,0,0|1,0,0]=4 43111 B12R2.4794 C[C@H](OCCC1CC1)C2CC2 ca1e99d0cd1bfff4b324af59f9b0230e [0,1,0,2,0,0|0,0,0]=3 43112 B12R2.4794 O=C(COCC1CC1)C2CC2 998865c74dfa563be143292d6a1387a8 [0,1,0,2,0,0|0,0,1]=4 43113 B12R2.4794 OC(CNCC1CC1)C2CC2 e0de1070a6276450ee3810355fbf774d [0,1,0,2,0,0|1,0,0]=4 43114 B12R2.5216 CC1(CCC1)CNCC2CC2 0c4dbbabf4fd50d6da11c46a686212b8 [0,1,0,2,0,0|1,0,0]=4 43115 B12R2.5216 CC1(CCC1)COCC2CC2 4632b99f0cea1173e4511ac3172e5b75 [0,1,0,2,0,0|0,0,0]=3 43116 B12R2.5216 CC1(CCC1)NCCC2CC2 0f8a159a633e736a149fe16360a004ad [0,1,0,2,0,0|1,0,0]=4 43117 B12R2.5216 CC1(CCO1)COCC2CC2 71a25656fb1c18dfe68352a379610eb9 [0,1,0,2,0,0|1,0,0]=4 43118 B12R2.5216 CC1(COC1)COCC2CC2 18d671e3a6bd087f464f572c77895b96 [0,1,0,2,0,0|1,0,0]=4 43119 B12R2.5216 CC1(CSC1)COCC2CC2 6c9a3d855f13a8c30f7312b1d1ef2d8e [0,1,0,2,0,0|1,0,0]=4 43120 B12R2.5216 C[C@@]1(CCO1)COCC2CC2 b94e0cde44d0621a9246a23b0d24b54c [0,1,0,2,0,0|1,0,0]=4 43121 B12R2.5216 C[C@]1(CCO1)COCC2CC2 f92dd8d56e6acdb4fe99884fb48a6802 [0,1,0,2,0,0|1,0,0]=4 43122 B12R2.5216 FC1(CCC1)COCC2CC2 5b6ef45165d8220f000ad254e215fc3c [0,1,0,2,0,0|0,0,0]=3 43123 B12R2.5216 FC1(COC1)COCC2CC2 7803d02503d1fc2cf036516e08b274b8 [0,1,0,2,0,0|1,0,0]=4 43124 B12R2.5216 OC1(CCC1)CNCC2CC2 367548379c7243c70b415672316c74a6 [0,1,0,2,0,0|1,0,0]=4 43125 B12R2.1297 CC(N[C@@H]1CC[C@H]1C)C2CC2 f6929205efba8b625735c401f2acd5e4 [0,1,0,2,0,0|1,0,0]=4 43126 B12R2.1297 CC(N[C@H]1CC[C@H]1C)C2CC2 d1d3e09654292a16a56ea80a680f99f9 [0,1,0,2,0,0|1,0,0]=4 43127 B12R2.1297 CC(OC1COC1C)C2CC2 7800fc2a6105fdba7e33f8a14574b27b [0,1,0,2,0,0|1,0,0]=4 43128 B12R2.6 CC1CCN(C1)C2CCCC2 73d1b02452b3529bc89c1dbb72c3810b [0,1,0,2,0,0|1,0,0]=4 43129 B12R2.6 FC1CCN(C1)C2CCCC2 5e2c057e594dd673d98ec2a9e299299c [0,1,0,2,0,0|1,0,0]=4 43130 B12R2.6 F[C@@H]1CCN(C1)C2CCCC2 912764b86278ad6f52158bca571df822 [0,1,0,2,0,0|1,0,0]=4 43131 B12R2.6 F[C@H]1CCN(C1)C2CCCC2 46daa08544b67db9c8c74f33365e151c [0,1,0,2,0,0|1,0,0]=4 43132 B12R2.6 OC1CCN(C1)C2CCCC2 892f3ef2f0aa776184ba1767f423c659 [0,1,0,2,0,0|1,0,0]=4 43133 B12R2.6 O[C@@H]1CCN(C1)C2CCCC2 9877e2a9ca3f82e705a8168edc5bb25a [0,1,0,2,0,0|1,0,0]=4 43134 B12R2.6 O[C@H]1CCN(C1)C2CCCC2 5798a2c510b812fa753f0715894b4ac2 [0,1,0,2,0,0|1,0,0]=4 43135 B12R2.2110 CCCCCN1CC2CC2C1 48adcb43a5dce5f27feaca59a16cf5ca [0,1,0,2,0,0|1,0,0]=4 43136 B12R2.2110 CCCCOC1CC2CC2C1 79695ede35b394b542f32b532440c098 [0,1,0,2,0,0|0,0,0]=3 43137 B12R2.2110 CCCCOC1C[C@@H]2C[C@@H]2C1 321d734179cfd846da6c3c0b0d7b6629 [0,1,0,2,0,0|0,0,0]=3 43138 B12R2.2110 CCCCO[C@@H]1C[C@@H]2C[C@@H]2C1 cda8a3d560fa32e05e33d69aae34324a [0,1,0,2,0,0|0,0,0]=3 43139 B12R2.2110 CCCCO[C@H]1C[C@@H]2C[C@@H]2C1 0e53b59d2a403d4d6c115367e5304693 [0,1,0,2,0,0|0,0,0]=3 43140 B12R2.2110 CCOCCN1CC2CC2C1 ea5e394aeb8909270e11d86ff6e5a77b [0,1,0,2,0,0|1,0,0]=4 43141 B12R2.2110 CCOCOC1CC2CC2C1 8948957ab4bf250e1214672580ca22fc [0,1,0,2,0,0|1,0,0]=4 43142 B12R2.2110 CCOCOC1C[C@@H]2C[C@@H]2C1 024999e3f9bf35a8566ca66254816d19 [0,1,0,2,0,0|1,0,0]=4 43143 B12R2.2110 CCOCO[C@@H]1C[C@@H]2C[C@@H]2C1 0cadf95dccc2160aed72875007c965c3 [0,1,0,2,0,0|1,0,0]=4 43144 B12R2.2110 CCOCO[C@H]1C[C@@H]2C[C@@H]2C1 cdc362df64352382bcadbf8dc9dce8f9 [0,1,0,2,0,0|1,0,0]=4 43145 B12R2.2110 CCSCCN1CC2CC2C1 1fa65609d190bd6406165f40eddec65b [0,1,0,2,0,0|1,0,0]=4 43146 B12R2.2110 COCCCN1CC2CC2C1 92d8f20d94476f925818cafccb1df6e6 [0,1,0,2,0,0|1,0,0]=4 43147 B12R2.2110 COCCOC1CC2CC2C1 6b6e00f7f24ad2447a0e1fea1256bb1d [0,1,0,2,0,0|1,0,0]=4 43148 B12R2.2110 COCCOC1C[C@@H]2C[C@@H]2C1 69b90acb1931e21fc22c4563209aa3e0 [0,1,0,2,0,0|1,0,0]=4 43149 B12R2.2110 COCCO[C@@H]1C[C@@H]2C[C@@H]2C1 a8c8516854aa30e0956acc54b8ff6c4f [0,1,0,2,0,0|1,0,0]=4 43150 B12R2.2110 COCCO[C@H]1C[C@@H]2C[C@@H]2C1 8f2beec2e258e17a184ca7229fcee216 [0,1,0,2,0,0|1,0,0]=4 43151 B12R2.2110 CSCCCN1CC2CC2C1 c72ecda4075c124f6cdcaab6835885e5 [0,1,0,2,0,0|1,0,0]=4 43152 B12R2.2110 CSCCOC1CC2CC2C1 a7a8f2cef7baf592afa9ade86e27bbaf [0,1,0,2,0,0|1,0,0]=4 43153 B12R2.2110 CSCCOC1C[C@@H]2C[C@@H]2C1 7aefd5c652cd084a0ca79b2b7a3e8782 [0,1,0,2,0,0|1,0,0]=4 43154 B12R2.2110 CSCCO[C@@H]1C[C@@H]2C[C@@H]2C1 5db7fd857fa06a8e13de4d8af227cc54 [0,1,0,2,0,0|1,0,0]=4 43155 B12R2.2110 CSCCO[C@H]1C[C@@H]2C[C@@H]2C1 9eca6653e726a4faba08d0d9bd97c2a2 [0,1,0,2,0,0|1,0,0]=4 43156 B12R2.2110 FCCCCN1CC2CC2C1 8f7249fd21a6612aaa9cd666b0a4609e [0,1,0,2,0,0|1,0,0]=4 43157 B12R2.2110 FCCCOC1CC2CC2C1 ac5bb0485191a142a0d1d3e004a78dd3 [0,1,0,2,0,0|1,0,0]=4 43158 B12R2.2110 FCCCOC1C[C@@H]2C[C@@H]2C1 351887ff4515efd476dbddced77abb65 [0,1,0,2,0,0|1,0,0]=4 43159 B12R2.2110 FCCCO[C@@H]1C[C@@H]2C[C@@H]2C1 ed3e2d215423c81dd39babd1c8de0e61 [0,1,0,2,0,0|1,0,0]=4 43160 B12R2.2110 FCCCO[C@H]1C[C@@H]2C[C@@H]2C1 91ccaed689c3cbd99c8e3c2312ac254a [0,1,0,2,0,0|1,0,0]=4 43161 B12R2.2110 OCCCCN1CC2CC2C1 038966886dcd0c507a4f25b184a05260 [0,1,0,2,0,0|1,0,0]=4 43162 B12R2.2110 SCCCOC1CC2CC2C1 c6d9f8db0a1e6cc6f2d9254010299c1e [0,1,0,2,0,0|1,0,0]=4 43163 B12R2.2110 SCCCOC1C[C@@H]2C[C@@H]2C1 cec79919ffb3b45712458f6efd2cf0d6 [0,1,0,2,0,0|1,0,0]=4 43164 B12R2.2110 SCCCO[C@@H]1C[C@@H]2C[C@@H]2C1 e5bc1b738d0e9b5f91964acfb44421fc [0,1,0,2,0,0|1,0,0]=4 43165 B12R2.2110 SCCCO[C@H]1C[C@@H]2C[C@@H]2C1 6169b9c269c470f3a3c6d78bcfdd8b56 [0,1,0,2,0,0|1,0,0]=4 43166 B12R2.2298 CC1CC(CO1)OCC2CC2 4425c8d456e17f15f2371508402a3372 [0,1,0,2,0,0|1,0,0]=4 43167 B12R2.2298 CC1CCC(C1)NCC2CC2 608c119750d6474066085449e94dd7f5 [0,1,0,2,0,0|1,0,0]=4 43168 B12R2.2298 CC1CCC(C1)OCC2CC2 7856dbc3c4e4bd7d877982f728364846 [0,1,0,2,0,0|0,0,0]=3 43169 B12R2.2298 CC1CCN(C1)CCC2CC2 96ab2a48dcc1c54166099a2d6fff1b4a [0,1,0,2,0,0|1,0,0]=4 43170 B12R2.2298 CN1CCC(C1)OCC2CC2 703cc9ccf3c3cd4736401f385490ed87 [0,1,0,2,0,0|1,0,0]=4 43171 B12R2.2298 CN1CC[C@@H](C1)OCC2CC2 3c9085d8af86342ace596211d0fed713 [0,1,0,2,0,0|1,0,0]=4 43172 B12R2.2298 CN1CC[C@H](C1)OCC2CC2 f9793b3dea43c90d040616ad05342b2b [0,1,0,2,0,0|1,0,0]=4 43173 B12R2.2298 FC1CCC(C1)OCC2CC2 21671ca68fd60fb0ebf5781cab9451ec [0,1,0,2,0,0|0,0,0]=3 43174 B12R2.2298 FC1CCN(C1)CCC2CC2 5b4e057f811d25d8aac14b4bae0c74b3 [0,1,0,2,0,0|1,0,0]=4 43175 B12R2.2298 F[C@@H]1CCN(C1)CCC2CC2 4ca51d6fcee4097f13f554f0b1955c14 [0,1,0,2,0,0|1,0,0]=4 43176 B12R2.2298 F[C@H]1CCN(C1)CCC2CC2 1f3edc29188e86f2b7c8a6d3586c1873 [0,1,0,2,0,0|1,0,0]=4 43177 B12R2.2298 O=C1CCC(C1)OCC2CC2 fcaee0e7c459fb40fd1c8fcf1f9cd283 [0,1,0,2,0,0|0,0,1]=4 43178 B12R2.2298 OC1CCC(C1)NCC2CC2 21ee0f306c80ec7ade87f50fc21c5239 [0,1,0,2,0,0|1,0,0]=4 43179 B12R2.2298 OC1CCN(C1)CCC2CC2 baaf693856fc3eeaeaecd7e11c5286ba [0,1,0,2,0,0|1,0,0]=4 43180 B12R2.2298 O[C@@H]1CCN(C1)CCC2CC2 47ec4222cc67b8052d59208e3797113e [0,1,0,2,0,0|1,0,0]=4 43181 B12R2.2298 O[C@@H]1CC[C@@H](C1)NCC2CC2 5c18f04ad0e0f47a16942605da5a51af [0,1,0,2,0,0|1,0,0]=4 43182 B12R2.2298 O[C@@H]1CC[C@H](C1)NCC2CC2 5f21629778ac468e302b24939889551c [0,1,0,2,0,0|1,0,0]=4 43183 B12R2.2298 O[C@H]1CCN(C1)CCC2CC2 0c573e9eaeafebe01a2057080150f58e [0,1,0,2,0,0|1,0,0]=4 43184 B12R2.2298 O[C@H]1CC[C@@H](C1)NCC2CC2 a230033ad8b0e6bed6db90d09d6cef4a [0,1,0,2,0,0|1,0,0]=4 43185 B12R2.2298 O[C@H]1CC[C@H](C1)NCC2CC2 cdbcb9f1a1fab69e5a0354f30c63abe8 [0,1,0,2,0,0|1,0,0]=4 43186 B12R2.2301 CC1CC(CO1)OC2CCC2 54cae0462c8cc1ed0b0ce3243a57d462 [0,1,0,2,0,0|1,0,0]=4 43187 B12R2.2301 CC1CCC(C1)NC2CCC2 c9f1d7ceb38a97e920d8af7fa4d2ce54 [0,1,0,2,0,0|1,0,0]=4 43188 B12R2.2301 CC1CCC(C1)OC2CCC2 cf3942a7298853000d19a3944e6b64c4 [0,1,0,2,0,0|0,0,0]=3 43189 B12R2.2301 CC1CCC(C1)OC2COC2 1641856efbb4b719e7cc02ef9f7eb77c [0,1,0,2,0,0|1,0,0]=4 43190 B12R2.2301 CC1CCN(C1)CC2CCC2 cdf7bd793bce2725c6a29334c6624ad7 [0,1,0,2,0,0|1,0,0]=4 43191 B12R2.2301 CN1CCC(C1)OC2CCC2 5c3890626b21d231c8f0c5fd44c92737 [0,1,0,2,0,0|1,0,0]=4 43192 B12R2.2301 CN1CC[C@@H](C1)OC2CCC2 576371f7ea04faa688221436295dd128 [0,1,0,2,0,0|1,0,0]=4 43193 B12R2.2301 CN1CC[C@H](C1)OC2CCC2 bc17341a995607779d962432ec86aca1 [0,1,0,2,0,0|1,0,0]=4 43194 B12R2.2301 FC1CCC(C1)OC2CCC2 90127e893d7c838cfebc19e02018723d [0,1,0,2,0,0|0,0,0]=3 43195 B12R2.2301 FC1CCC(C1)OC2COC2 f7636174f231e954dfff60764935833a [0,1,0,2,0,0|1,0,0]=4 43196 B12R2.2301 FC1CCN(C1)CC2CCC2 8975cb7d17b54ea4711c5dabda92b9cf [0,1,0,2,0,0|1,0,0]=4 43197 B12R2.2301 F[C@@H]1CCN(C1)CC2CCC2 13d61f4602be3eff5fbfe04d7effdd9b [0,1,0,2,0,0|1,0,0]=4 43198 B12R2.2301 F[C@H]1CCN(C1)CC2CCC2 2f759fe3caa5eb4ffe90d223c532676a [0,1,0,2,0,0|1,0,0]=4 43199 B12R2.2301 OC1CCC(C1)NC2CCC2 5fa678c5e456d62d8ca562be0639ae0c [0,1,0,2,0,0|1,0,0]=4 43200 B12R2.2301 OC1CCN(C1)CC2CCC2 5cdbc10b310e302117142d67423c7585 [0,1,0,2,0,0|1,0,0]=4 43201 B12R2.2301 O[C@@H]1CCN(C1)CC2CCC2 70d83b58b907df93b797c587cbc8d744 [0,1,0,2,0,0|1,0,0]=4 43202 B12R2.2301 O[C@@H]1CC[C@@H](C1)NC2CCC2 64d84961c32bc8ecee5e799fd7848aad [0,1,0,2,0,0|1,0,0]=4 43203 B12R2.2301 O[C@@H]1CC[C@H](C1)NC2CCC2 0602a7618942c9ed0b34b05691b4712e [0,1,0,2,0,0|1,0,0]=4 43204 B12R2.2301 O[C@H]1CCN(C1)CC2CCC2 b9948fa4881b77fc7bddbd208b5e86e4 [0,1,0,2,0,0|1,0,0]=4 43205 B12R2.2301 O[C@H]1CC[C@@H](C1)NC2CCC2 7c8bd1c2aa27e6650d602d5167c7e31e [0,1,0,2,0,0|1,0,0]=4 43206 B12R2.2301 O[C@H]1CC[C@H](C1)NC2CCC2 6cfba2af0a007c3a6a706372cdb11b98 [0,1,0,2,0,0|1,0,0]=4 43207 B12R2.11 CC1CC1NC2CCCCC2 9d3ad414d96723a97136b16bff82c6cf [0,1,0,2,0,0|1,0,0]=4 43208 B12R2.11 CC1CC1NC2CCCCO2 7bc4f9e5241c7e28cd95e4c79a388b78 [0,1,0,2,0,0|0,0,0]=3 43209 B12R2.11 CC1CC1NC2CCCOC2 2f8b90eaef9ede46abd61fe720b1085f [0,1,0,2,0,0|1,0,0]=4 43210 B12R2.11 CC1CC1NC2CCOCC2 fc2f63fe57a1c1c1d25151a38deda9f7 [0,1,0,2,0,0|1,0,0]=4 43211 B12R2.11 CC1CC1NC2CCSCC2 9b4d142e452c91bacf80b7bef798feac [0,1,0,2,0,0|1,0,0]=4 43212 B12R2.11 F[C@@H]1C[C@@H]1NC2CCCCO2 154de86f9d07f9fe9ccde04c8a423c88 [0,1,0,2,0,0|1,0,0]=4 43213 B12R2.11 F[C@@H]1C[C@H]1NC2CCCCO2 7bbba70b9f8289ef1f0e3b253f0e32a2 [0,1,0,2,0,0|1,0,0]=4 43214 B12R2.11 F[C@H]1C[C@@H]1NC2CCCCO2 8912ea45ed667c17ba31b150d4c93789 [0,1,0,2,0,0|1,0,0]=4 43215 B12R2.423 C=C1CC1COCCC2CC2 01580ac526c3c93505df540294506be2 [0,1,0,2,0,0|0,0,1]=4 43216 B12R2.423 CC1CC1COCCC2CC2 b1bed8b9371cac2d6aad26d1cd528c40 [0,1,0,2,0,0|0,0,0]=3 43217 B12R2.423 CC1CC1NCCOC2CC2 c03f758e84aedd8befd2e0634d599869 [0,1,0,2,0,0|1,0,0]=4 43218 B12R2.423 C[C@@H]1C[C@H]1COCCC2CC2 3ff9c732e1fdc59e4fbebf5969808500 [0,1,0,2,0,0|0,0,0]=3 43219 B12R2.423 C[C@H]1C[C@@H]1COCCC2CC2 859c47d35edfbcaffb4d98d2dc4a3b5e [0,1,0,2,0,0|0,0,0]=3 43220 B12R2.423 C[C@H]1C[C@H]1COCCC2CC2 dbab6205ab525d9dc53e2cc4c025397c [0,1,0,2,0,0|0,0,0]=3 43221 B12R2.423 F[C@@H]1C[C@@H]1COCCC2CC2 8af1b5192b666d37e8a4e556195fb974 [0,1,0,2,0,0|0,0,0]=3 43222 B12R2.423 F[C@@H]1C[C@H]1COCCC2CC2 251ba9e201526d10301f5b169702154b [0,1,0,2,0,0|0,0,0]=3 43223 B12R2.423 F[C@H]1C[C@@H]1COCCC2CC2 fe5a9cef23c9c65a480e06a05664919e [0,1,0,2,0,0|0,0,0]=3 43224 B12R2.423 F[C@H]1C[C@H]1COCCC2CC2 7f58ed6f5840e99eb553fcda5ec9d380 [0,1,0,2,0,0|0,0,0]=3 43225 B12R2.444 C=C1CC1COCC2CCC2 375c48e13ddd77d505cd76391e746e0f [0,1,0,2,0,0|0,0,1]=4 43226 B12R2.444 CC1CC1COCC2CCC2 77412fd66d36b97bc958c0b06591ef71 [0,1,0,2,0,0|0,0,0]=3 43227 B12R2.444 CC1CC1COCC2CCO2 b49d647d38fb5504e4f9c0c4d0c069c9 [0,1,0,2,0,0|0,0,0]=3 43228 B12R2.444 CC1CC1COCC2COC2 b6e3ca87aea9b56df91687d1e79e8cf7 [0,1,0,2,0,0|0,0,0]=3 43229 B12R2.444 CC1CC1COC[C@@H]2CCO2 00f52606466f07b53ba1e6d3c4ebaa5c [0,1,0,2,0,0|0,0,0]=3 43230 B12R2.444 CC1CC1COC[C@H]2CCO2 d9d13d6f50707e9cd300abb5bbdb231e [0,1,0,2,0,0|0,0,0]=3 43231 B12R2.444 CC1CC1NCCC2CCC2 a2eb40aaf1adb028ab000e9dfe032cc9 [0,1,0,2,0,0|1,0,0]=4 43232 B12R2.444 CC1CC1NCCC2CCO2 39a6e286f1aa2fa9503f387d6e450a31 [0,1,0,2,0,0|1,0,0]=4 43233 B12R2.444 CC1CC1NCCC2COC2 44f956ccc1076568990a8458da7e2d67 [0,1,0,2,0,0|1,0,0]=4 43234 B12R2.444 C[C@@H]1C[C@H]1COCC2CCC2 38568754d587bc29a63f9013e8a9051b [0,1,0,2,0,0|0,0,0]=3 43235 B12R2.444 C[C@@H]1C[C@H]1COCC2CCO2 962b24d57bf0c5eb13e450560f34fdc2 [0,1,0,2,0,0|0,0,0]=3 43236 B12R2.444 C[C@@H]1C[C@H]1COCC2COC2 0fa45a0764b4517abc283ee882c778f0 [0,1,0,2,0,0|0,0,0]=3 43237 B12R2.444 C[C@@H]1C[C@H]1COC[C@@H]2CCO2 6911cddf059b3bdf8495de89b5bd14c6 [0,1,0,2,0,0|0,0,0]=3 43238 B12R2.444 C[C@@H]1C[C@H]1COC[C@H]2CCO2 109596f090b2b16310284876f673d01b [0,1,0,2,0,0|0,0,0]=3 43239 B12R2.444 C[C@H]1C[C@@H]1COCC2CCC2 9866b538c82ab88ed8f5c18a3fc769d4 [0,1,0,2,0,0|0,0,0]=3 43240 B12R2.444 C[C@H]1C[C@@H]1COCC2CCO2 f4e00dadbc15d6654347ec26dba85477 [0,1,0,2,0,0|0,0,0]=3 43241 B12R2.444 C[C@H]1C[C@@H]1COCC2COC2 54a971c723eabd21a1e5e45ffa5f73b3 [0,1,0,2,0,0|0,0,0]=3 43242 B12R2.444 C[C@H]1C[C@@H]1COC[C@@H]2CCO2 31d73c20ec139eb2decd9418a2453f1c [0,1,0,2,0,0|0,0,0]=3 43243 B12R2.444 C[C@H]1C[C@@H]1COC[C@H]2CCO2 7b53d180e2668c574dce66e2e1c7ed6e [0,1,0,2,0,0|0,0,0]=3 43244 B12R2.444 C[C@H]1C[C@H]1COCC2CCC2 0eff55ba7fc718ee1ea1e8b5ef4e764c [0,1,0,2,0,0|0,0,0]=3 43245 B12R2.444 C[C@H]1C[C@H]1COCC2CCO2 4452f6ea5cfe752f334695bec6f29a68 [0,1,0,2,0,0|0,0,0]=3 43246 B12R2.444 C[C@H]1C[C@H]1COCC2COC2 9c4f59136ef583bb02821c96cb2128e3 [0,1,0,2,0,0|0,0,0]=3 43247 B12R2.444 C[C@H]1C[C@H]1COC[C@@H]2CCO2 7358d848e1a32ff25d918a78a65731c3 [0,1,0,2,0,0|0,0,0]=3 43248 B12R2.444 C[C@H]1C[C@H]1COC[C@H]2CCO2 8e10765f5365a537568526adc1df0c4a [0,1,0,2,0,0|0,0,0]=3 43249 B12R2.444 F[C@@H]1C[C@@H]1COCC2CCC2 93ad7cefc370904da74c0728ddd5e51f [0,1,0,2,0,0|0,0,0]=3 43250 B12R2.444 F[C@@H]1C[C@@H]1COCC2CCO2 2deebcca2530bd37295443cff8c06d96 [0,1,0,2,0,0|1,0,0]=4 43251 B12R2.444 F[C@@H]1C[C@@H]1COCC2COC2 758b652b80103204d66a92639136e779 [0,1,0,2,0,0|1,0,0]=4 43252 B12R2.444 F[C@@H]1C[C@@H]1COC[C@@H]2CCO2 b6a1f74cce496a6336d4f04bd2d55c0d [0,1,0,2,0,0|1,0,0]=4 43253 B12R2.444 F[C@@H]1C[C@@H]1COC[C@H]2CCO2 51a9f9418671027deab62288048e23d7 [0,1,0,2,0,0|1,0,0]=4 43254 B12R2.444 F[C@@H]1C[C@H]1COCC2CCC2 1b5c511e8c2c9f55b3908f33798d8014 [0,1,0,2,0,0|0,0,0]=3 43255 B12R2.444 F[C@@H]1C[C@H]1COCC2CCO2 519ccc530ebed13ba95eb1e151fc4269 [0,1,0,2,0,0|1,0,0]=4 43256 B12R2.444 F[C@@H]1C[C@H]1COCC2COC2 32d8ce0aca918d44c56bbb06cc7e478e [0,1,0,2,0,0|1,0,0]=4 43257 B12R2.444 F[C@@H]1C[C@H]1COC[C@@H]2CCO2 67fddf5082dcdc57e2326e8f138ef2b7 [0,1,0,2,0,0|1,0,0]=4 43258 B12R2.444 F[C@@H]1C[C@H]1COC[C@H]2CCO2 247adbb73356eee572fdeddd0f6861e8 [0,1,0,2,0,0|1,0,0]=4 43259 B12R2.444 F[C@H]1C[C@@H]1COCC2CCC2 1c9f9b230641422ec6fe3ca18596c2b1 [0,1,0,2,0,0|0,0,0]=3 43260 B12R2.444 F[C@H]1C[C@@H]1COCC2CCO2 7f8ae2df2bf9ddf265a7c2c037db98df [0,1,0,2,0,0|1,0,0]=4 43261 B12R2.444 F[C@H]1C[C@@H]1COCC2COC2 5ac88f7f43a094fe45a8436ec4851c55 [0,1,0,2,0,0|1,0,0]=4 43262 B12R2.444 F[C@H]1C[C@@H]1COC[C@@H]2CCO2 731b5afceceb8cf6944daa3074ee1cae [0,1,0,2,0,0|1,0,0]=4 43263 B12R2.444 F[C@H]1C[C@@H]1COC[C@H]2CCO2 f4a3e9e859d03de11724556e2568f375 [0,1,0,2,0,0|1,0,0]=4 43264 B12R2.444 F[C@H]1C[C@H]1COCC2CCC2 b11998f87b91711983a797c4aa3a95f8 [0,1,0,2,0,0|0,0,0]=3 43265 B12R2.444 F[C@H]1C[C@H]1COCC2CCO2 5b8a0d77f74614ad27cbad29c1e73577 [0,1,0,2,0,0|1,0,0]=4 43266 B12R2.444 F[C@H]1C[C@H]1COCC2COC2 7a5e8fd1ec0e9724f9031aecd2409093 [0,1,0,2,0,0|1,0,0]=4 43267 B12R2.444 F[C@H]1C[C@H]1COC[C@@H]2CCO2 bf33487c3a99acf428bd6280de3560fd [0,1,0,2,0,0|1,0,0]=4 43268 B12R2.444 F[C@H]1C[C@H]1COC[C@H]2CCO2 6d5a28b0eb62f80b235b6df0e9164989 [0,1,0,2,0,0|1,0,0]=4 43269 B12R2.255 CC(C)N1CCOCC12CC2 66f3c9e311b97eb941309cafede5cd9a [0,1,0,2,0,0|1,0,0]=4 43270 B12R2.1365 CC(C)N1C2CCC1COC2 8075dba6f15dc2622155285cc55b880a [0,1,0,2,0,0|1,0,0]=4 43271 B12R2.1365 CC(C)N1[C@@H]2CC[C@H]1COC2 6e555745b4a76e67e106ba77b02d055a [0,1,0,2,0,0|1,0,0]=4 43272 B12R2.2048 CCC1COCCN1C2CC2 81da69592fa26bcd24442d1c99f2c150 [0,1,0,2,0,0|0,0,0]=3 43273 B12R2.2048 CCN1CCOCC1C2CC2 a5714fa7c1db8e3915992b9c69806263 [0,1,0,2,0,0|0,0,0]=3 43274 B12R2.2048 CCN1CCOC[C@@H]1C2CC2 fe9ac8f9d71fb98dbc1f582caae15a47 [0,1,0,2,0,0|0,0,0]=3 43275 B12R2.2048 CC[C@@H]1COCCN1C2CC2 8f7a5b459986ed768b416fef5a198eb1 [0,1,0,2,0,0|0,0,0]=3 43276 B12R2.2048 CC[C@H]1COCCN1C2CC2 5ef5b0a22bad8d8cf03feeda5afa80ab [0,1,0,2,0,0|0,0,0]=3 43277 B12R2.2048 FCN1CCOCC1C2CC2 7b1594d6bd3ba834fe83e561b3b9ec54 [0,1,0,2,0,0|1,0,0]=4 43278 B12R2.2048 FCN1CCOC[C@@H]1C2CC2 1d4be36f3ad3e8a5fd57d0a539dedc57 [0,1,0,2,0,0|1,0,0]=4 43279 B12R2.2048 OCN1CCOCC1C2CC2 b380d93430905c165904452190a68a37 [0,1,0,2,0,0|1,0,0]=4 43280 B12R2.2048 OCN1CCOC[C@@H]1C2CC2 c9f81a820d6dd369cdc6993946910a55 [0,1,0,2,0,0|1,0,0]=4 43281 B12R2.324 CCC1CCCN1CC2CC2 c004317f438b2ef1ae56fa3d9df9283d [0,1,0,2,0,0|1,0,0]=4 43282 B12R2.324 CC[C@@H]1CCCN1CC2CC2 d3845b6330aae1251f6708bd85761232 [0,1,0,2,0,0|1,0,0]=4 43283 B12R2.324 CC[C@@H]1CCC[C@H]1NC2CC2 7977a8c1b7573c40ab202a675cf7b433 [0,1,0,2,0,0|1,0,0]=4 43284 B12R2.324 COC1CCCN1CC2CC2 15c54ee12897a324a927915c7e0c841e [0,1,0,2,0,0|1,0,0]=4 43285 B12R2.324 COC1COCC1NC2CC2 982745c4c3277e849d5d82c9f4997191 [0,1,0,2,0,0|1,0,0]=4 43286 B12R2.324 CO[C@@H]1COC[C@@H]1NC2CC2 8dc3adedd959d195ca2b5f9adc54ae33 [0,1,0,2,0,0|1,0,0]=4 43287 B12R2.324 CO[C@@H]1COC[C@H]1NC2CC2 daf4021a6aeb1b8f6414a0bb63d32187 [0,1,0,2,0,0|1,0,0]=4 43288 B12R2.324 CO[C@H]1COC[C@@H]1NC2CC2 cf6f0d25a7df4f07d98b156cd5063a06 [0,1,0,2,0,0|1,0,0]=4 43289 B12R2.324 CO[C@H]1COC[C@H]1NC2CC2 9d4edd53696a6cbe0aa5c7855ffa1ab4 [0,1,0,2,0,0|1,0,0]=4 43290 B12R2.324 FC[C@@H]1CCCN1CC2CC2 9d29fe337dc59cbe215e580f478f326a [0,1,0,2,0,0|1,0,0]=4 43291 B12R2.324 FC[C@H]1CCCN1CC2CC2 a0cc4956fbca813db3418e8a4288171d [0,1,0,2,0,0|1,0,0]=4 43292 B12R2.324 OCC1CCCN1CC2CC2 0487d288b68c5a79495e1d5ca3a87297 [0,1,0,2,0,0|1,0,0]=4 43293 B12R2.324 OCC1COCC1NC2CC2 df3e16abae6329935a139df3cba1454e [0,1,0,2,0,0|1,0,0]=4 43294 B12R2.324 OC[C@@H]1CCCN1CC2CC2 abe7b9d7be03abd88584f8e183774691 [0,1,0,2,0,0|1,0,0]=4 43295 B12R2.324 OC[C@@H]1COC[C@H]1NC2CC2 717d1602eb0307a34ff86d7e43b24534 [0,1,0,2,0,0|1,0,0]=4 43296 B12R2.324 OC[C@H]1CCCN1CC2CC2 0d0a667e7027b95fc17fc806767a4455 [0,1,0,2,0,0|1,0,0]=4 43297 B12R2.225 CC1CCCCC1NC2CC2 a0ce12eb2031073e04161e3eda5ca65e [0,1,0,2,0,0|1,0,0]=4 43298 B12R2.225 CC1CCCCC1OC2CC2 933fd879f1e094de344343deca6868e8 [0,1,0,2,0,0|1,0,0]=4 43299 B12R2.225 CC1CCCCN1CC2CC2 9b4020b7dfbf79523e9b8161c9cba8be [0,1,0,2,0,0|1,0,0]=4 43300 B12R2.225 CC1COCCN1CC2CC2 8aacd2e00c2b9bf34c780e6b6b0a0ed7 [0,1,0,2,0,0|1,0,0]=4 43301 B12R2.225 C[C@@H]1CCCCN1CC2CC2 e946119fe23ba1fef340aa8b3658de97 [0,1,0,2,0,0|1,0,0]=4 43302 B12R2.225 C[C@@H]1CCCC[C@@H]1NC2CC2 ffa0d8b3915a7d3387df80ed849a76df [0,1,0,2,0,0|1,0,0]=4 43303 B12R2.225 C[C@@H]1CCCC[C@@H]1OC2CC2 5e1e697cdc81407c01ffe35f41303744 [0,1,0,2,0,0|1,0,0]=4 43304 B12R2.225 C[C@@H]1CCCC[C@H]1NC2CC2 92445bc9e01f8e0fc5950f16947a4637 [0,1,0,2,0,0|1,0,0]=4 43305 B12R2.225 C[C@@H]1COCCN1CC2CC2 9c0cf9b570701d1135a8799aa3ba6707 [0,1,0,2,0,0|1,0,0]=4 43306 B12R2.225 C[C@H]1CCCCN1CC2CC2 15cee5d3fae7657c3de087cefc369dad [0,1,0,2,0,0|1,0,0]=4 43307 B12R2.225 C[C@H]1CCCC[C@@H]1NC2CC2 b1614b9fe68900433d6419a055202e60 [0,1,0,2,0,0|1,0,0]=4 43308 B12R2.225 C[C@H]1CCCC[C@@H]1OC2CC2 989d02424dd57561bb993d64a0237a5a [0,1,0,2,0,0|1,0,0]=4 43309 B12R2.225 C[C@H]1CCCC[C@H]1NC2CC2 b8859ee7f636bb23510d015421745c5f [0,1,0,2,0,0|1,0,0]=4 43310 B12R2.225 C[C@H]1CCCC[C@H]1OC2CC2 d34746dd19a35d1ae6621249e1d8633f [0,1,0,2,0,0|1,0,0]=4 43311 B12R2.225 C[C@H]1COCCN1CC2CC2 34e468748a41253e24ca53f5e1e8b16b [0,1,0,2,0,0|1,0,0]=4 43312 B12R2.225 O[C@@H]1CCOC[C@@H]1NC2CC2 3cd6828c3a7f16c563da76a1681bd88a [0,1,0,2,0,0|1,0,0]=4 43313 B12R2.225 O[C@@H]1CCOC[C@H]1NC2CC2 536b473c631dd06513a9d1be0f7fbcfd [0,1,0,2,0,0|1,0,0]=4 43314 B12R2.225 O[C@H]1CCOC[C@@H]1NC2CC2 32dc5b67a4b43426ce3917f51f7a7dc3 [0,1,0,2,0,0|1,0,0]=4 43315 B12R2.225 O[C@H]1CCOC[C@H]1NC2CC2 ff10fb659112cac7e158157cbda5dd22 [0,1,0,2,0,0|1,0,0]=4 43316 B12R2.252 CC(C)N1CC2CCOC2C1 252b22536b133665b2450064a727bc42 [0,1,0,2,0,0|1,0,0]=4 43317 B12R2.1372 CC(C)CCN1CC2CC1C2 6da7bcb64bb884b26d04c16534ab2004 [0,1,0,2,0,0|1,0,0]=4 43318 B12R2.1372 CC(O)CCN1CC2CC1C2 f3b60fea66417761696f501b11313b6c [0,1,0,2,0,0|1,0,0]=4 43319 B12R2.5266 CC(C)CCN1CCC2C1C2 53fd44bdf7f66473be92ba9aff1e91ee [0,1,0,2,0,0|1,0,0]=4 43320 B12R2.5266 CC(O)CCN1CCC2C1C2 6f4a2042927374027bf8b5e6f73162b8 [0,1,0,2,0,0|1,0,0]=4 43321 B12R2.92 CC1(CN1C2CCCCO2)C adf032c45a8ae2b605fc4cd037b4d183 [0,1,0,2,0,0|1,0,0]=4 43322 B12R2.1377 CC(C)CCN1C2C1CCC2 c66a58c35ae5fd63e6391aa9073a90a6 [0,1,0,2,0,0|1,0,0]=4 43323 B12R2.1377 CC(O)CCN1C2C1CCC2 af8ed5e5f0b05f1e4acacf39ddb43a98 [0,1,0,2,0,0|1,0,0]=4 43324 B12R2.1381 CC(C)CCN1CC2CC2C1 2298410c998bbfbf56b19d4eeaccc194 [0,1,0,2,0,0|1,0,0]=4 43325 B12R2.1381 CC(O)CCN1CC2CC2C1 86e3c9e88d9026f80b5c0b3bf0e68b33 [0,1,0,2,0,0|1,0,0]=4 43326 B12R2.2057 C1=CC(CCC1)OCC2CC2 d9395f751ef5b592d31dfc47764fb7b0 [0,1,0,2,0,0|0,0,1]=4 43327 B12R2.2057 C1=CCC(CC1)OCC2CC2 829fc61d987db4766bc90f037229633c [0,1,0,2,0,0|0,0,1]=4 43328 B12R2.2057 C1CC(CCO1)NCC2CC2 6539e0b503cdf4f6d3e77a24a546ffcf [0,1,0,2,0,0|1,0,0]=4 43329 B12R2.2057 C1CC(CCO1)OCC2CC2 35cab5654fe98b027ccfdf2584db796d [0,1,0,2,0,0|0,0,0]=3 43330 B12R2.2057 C1CC(CCS1)NCC2CC2 5708fec3720633e5b3f3aa39d428cb71 [0,1,0,2,0,0|1,0,0]=4 43331 B12R2.2057 C1CC(CCS1)OCC2CC2 494da627d85e25d496bd5b02dcd74ede [0,1,0,2,0,0|0,0,0]=3 43332 B12R2.2057 C1CCC(CC1)CNC2CC2 cd7a9a23b7a90b600d536a62ce18c96a [0,1,0,2,0,0|1,0,0]=4 43333 B12R2.2057 C1CCC(CC1)COC2CC2 e308818e3f01580a289a96a850d3a505 [0,1,0,2,0,0|1,0,0]=4 43334 B12R2.2057 C1CCC(CC1)NCC2CC2 986260f93e1db8491dbd52a46fcad1b4 [0,1,0,2,0,0|1,0,0]=4 43335 B12R2.2057 C1CCC(CC1)OCC2CC2 13f87b017cfc31f6e31bbc683acc6c08 [0,1,0,2,0,0|0,0,0]=3 43336 B12R2.2057 C1CCC(OC1)CNC2CC2 41ec86372ce011b9640901f371c0ab5e [0,1,0,2,0,0|0,0,0]=3 43337 B12R2.2057 C1CCC(OC1)COC2CC2 334633881f2ce1dd852dde7428f7c062 [0,1,0,2,0,0|0,0,0]=3 43338 B12R2.2057 C1CCC(OC1)NCC2CC2 8b2ab8335bf0a461518fb16b7e004773 [0,1,0,2,0,0|0,0,0]=3 43339 B12R2.2057 C1CCC(OC1)OCC2CC2 82ae57c8062bde7ddd010b19910890cc [0,1,0,2,0,0|0,0,0]=3 43340 B12R2.2057 C1CC[C@@H](OC1)COC2CC2 fe86e71ab52a7eee698b290883cada7d [0,1,0,2,0,0|0,0,0]=3 43341 B12R2.2057 C1CC[C@H](OC1)COC2CC2 e9aa1d482376d446959bc9012a67ffbe [0,1,0,2,0,0|0,0,0]=3 43342 B12R2.2057 C1CN(CCO1)CCC2CC2 034f5bc7f43e071cad6b5a9c05f4d123 [0,1,0,2,0,0|1,0,0]=4 43343 B12R2.2057 C1CN(CCS1)CCC2CC2 b9c5808f836696927cca48a3b0b0bf30 [0,1,0,2,0,0|1,0,0]=4 43344 B12R2.2057 C1COC(CO1)CNC2CC2 c10b6da9c42925375c57ba65b9343ec1 [0,1,0,2,0,0|1,0,0]=4 43345 B12R2.2057 C1COC(CO1)COC2CC2 ab3df250dd7c639c9a73a425ba2b24b9 [0,1,0,2,0,0|1,0,0]=4 43346 B12R2.2057 C1COCC(C1)NCC2CC2 1e1f3bee0a6997573d41df7ea0b840ed [0,1,0,2,0,0|1,0,0]=4 43347 B12R2.2057 C1COCC(C1)OCC2CC2 a16b634a37570c929365b5dd89b6c0f3 [0,1,0,2,0,0|0,0,0]=3 43348 B12R2.2057 C1COCN(C1)CCC2CC2 1c5f8f741e35e3499c40960123deb5ca [0,1,0,2,0,0|1,0,0]=4 43349 B12R2.2057 C1COC[C@@H](C1)NCC2CC2 0695afb8f4e729372834c89cec2b18e8 [0,1,0,2,0,0|1,0,0]=4 43350 B12R2.2057 C1COC[C@@H](C1)OCC2CC2 4de0c11d05a2db707d3ce601d521f3c5 [0,1,0,2,0,0|0,0,0]=3 43351 B12R2.2057 C1COC[C@H](C1)NCC2CC2 f192e8e1e2f6eb2a86324f6cb43d029c [0,1,0,2,0,0|1,0,0]=4 43352 B12R2.2057 C1COC[C@H](C1)OCC2CC2 9ba47da56180130850e3ac5159bfd05a [0,1,0,2,0,0|0,0,0]=3 43353 B12R2.2057 C1CO[C@@H](CO1)COC2CC2 de98cf6ed0c5c2e57746a8d838c8af9b [0,1,0,2,0,0|1,0,0]=4 43354 B12R2.2057 C1CO[C@H](CO1)CNC2CC2 c114f72f54e75d24ceff6d370c3de617 [0,1,0,2,0,0|1,0,0]=4 43355 B12R2.2057 C1CO[C@H](CO1)COC2CC2 4ad186a5f25d0610422f71641e02a94d [0,1,0,2,0,0|1,0,0]=4 43356 B12R2.2057 C1CSCC(C1)OCC2CC2 f3fe895212a2f1112e1981194c7a56da [0,1,0,2,0,0|0,0,0]=3 43357 B12R2.2057 C1CSCN(C1)CCC2CC2 17edaae728f7f7809230761dfee49ba0 [0,1,0,2,0,0|1,0,0]=4 43358 B12R2.158 COCC1CCN1CC2CC2 24f6c76e8177068b323825ad1dd2f627 [0,1,0,2,0,0|1,0,0]=4 43359 B12R2.158 COC[C@@H]1CCN1CC2CC2 1c0687a580e912e195db3661253d5773 [0,1,0,2,0,0|1,0,0]=4 43360 B12R2.158 COC[C@H]1CCN1CC2CC2 b4de8da9c8261afd8564794522b95cbb [0,1,0,2,0,0|1,0,0]=4 43361 B12R2.158 OCCC1CCN1CC2CC2 f541fbd41c811026429660bb39ae46e3 [0,1,0,2,0,0|1,0,0]=4 43362 B12R2.259 CCCN1CCOCC12CC2 6fcf495011009051a2fba8184e48b7a6 [0,1,0,2,0,0|0,0,0]=3 43363 B12R2.259 CCNC1CCCCC12CC2 b10a25acb9b80e099f5dbe47ad5fc33b [0,1,0,2,0,0|1,0,0]=4 43364 B12R2.259 CCOC1CCCCC12CC2 e9b498907b0ae19f3c5d9242aa4cd4a6 [0,1,0,2,0,0|1,0,0]=4 43365 B12R2.259 COCN1CCOCC12CC2 8239bfe9358e88a0e4b7fca73f4e96bc [0,1,0,2,0,0|1,0,0]=4 43366 B12R2.259 CSCN1CCOCC12CC2 63dcb15b2a4595d1e15cc3743f4304e5 [0,1,0,2,0,0|1,0,0]=4 43367 B12R2.259 FCCN1CCOCC12CC2 8138389bd53410374145cb4cf0659e0d [0,1,0,2,0,0|1,0,0]=4 43368 B12R2.259 OCCN1CCOCC12CC2 204dc78eff09677742db593dfe1fb130 [0,1,0,2,0,0|1,0,0]=4 43369 B12R2.259 SCCN1CCOCC12CC2 1ccafaa6b4302e10d8823779e4428d34 [0,1,0,2,0,0|1,0,0]=4 43370 B12R2.297 CCCOC1CCCC12CC2 f2447bdc62b9351c38edb6e883557d67 [0,1,0,2,0,0|1,0,0]=4 43371 B12R2.297 CCCO[C@@H]1CCCC12CC2 673a1b53ba99a66671ed5a9949f69df3 [0,1,0,2,0,0|1,0,0]=4 43372 B12R2.1298 CC1OCC1NCCC2CC2 9bbe69d368b0b2c3f61e8c99f6bf9835 [0,1,0,2,0,0|1,0,0]=4 43373 B12R2.1298 CC1OCC1OCCC2CC2 fced4fb2c8dbf68c01c90a4e31cd421b [0,1,0,2,0,0|0,0,0]=3 43374 B12R2.1298 CN1CCC1CNCC2CC2 2df043ad79c7ba905cbb147d1a5b710f [0,1,0,2,0,0|1,0,0]=4 43375 B12R2.1298 CN1CCC1COCC2CC2 3aa9066f8b67bed7fb0c4a7e86c08d49 [0,1,0,2,0,0|0,0,0]=3 43376 B12R2.1298 CN1CC[C@@H]1COCC2CC2 8150c0197d579bf6491534cb835f7570 [0,1,0,2,0,0|0,0,0]=3 43377 B12R2.1298 CN1CC[C@H]1COCC2CC2 fb7184003a50db0d373b6ca54c6731b1 [0,1,0,2,0,0|0,0,0]=3 43378 B12R2.1298 C[C@@H]1CC[C@@H]1NCCC2CC2 919d33f1d6650a666578a166c2d1d099 [0,1,0,2,0,0|1,0,0]=4 43379 B12R2.1298 C[C@@H]1CC[C@H]1NCCC2CC2 517cea41fc29c6654e081c0c0eacba92 [0,1,0,2,0,0|1,0,0]=4 43380 B12R2.1298 FC1CCC1COCC2CC2 c738503d92eddda9b3192d12e6096894 [0,1,0,2,0,0|0,0,0]=3 43381 B12R2.1298 FC1CCC1NCCC2CC2 20e3e7f457366d8ad7b3c67d9f280ff1 [0,1,0,2,0,0|1,0,0]=4 43382 B12R2.1298 O=C1CCC1COCC2CC2 6b20a1e7e883239f3983be9b9b4bdb12 [0,1,0,2,0,0|0,0,1]=4 43383 B12R2.1298 O=C1CCC1OCCC2CC2 dbab5897d6579c3fe1d8d48298e3d0ac [0,1,0,2,0,0|0,0,1]=4 43384 B12R2.1298 OC1CCC1NCCC2CC2 9930195e56e019b774dcbc3e8584c9df [0,1,0,2,0,0|1,0,0]=4 43385 B12R2.1298 O[C@@H]1CC[C@@H]1NCCC2CC2 4626ddcbae996196226cb358e1ca33d8 [0,1,0,2,0,0|1,0,0]=4 43386 B12R2.1298 O[C@@H]1CC[C@H]1NCCC2CC2 ff36be13f5faddab16bba3445f12bc45 [0,1,0,2,0,0|1,0,0]=4 43387 B12R2.1298 O[C@H]1CC[C@@H]1NCCC2CC2 599aeca65ad745853f18629b23c5b77d [0,1,0,2,0,0|1,0,0]=4 43388 B12R2.1298 O[C@H]1CC[C@H]1NCCC2CC2 4259092e10d6cff2cb6b964dc13636fa [0,1,0,2,0,0|1,0,0]=4 43389 B12R2.2014 C(#CC1CC1)COCC2CC2 353084d52017c4a592b36c937dc3a7d2 [0,1,0,2,0,0|0,0,1]=4 43390 B12R2.2014 C(=C/C1CC1)\COCC2CC2 bfcf590582bdf0deaaffe2cd3c107a2d [0,1,0,2,0,0|0,0,1]=4 43391 B12R2.2014 C(CC1CC1)NCCC2CC2 50a430979e33bdf490a03610aa33910a [0,1,0,2,0,0|1,0,0]=4 43392 B12R2.2014 C(CC1CC1)NCCN2CC2 7b4e7f9458f919ce776b84a38c1c5e40 [0,1,0,2,0,0|1,0,0]=4 43393 B12R2.2014 C(CC1CC1)OCCC2CC2 87a4cfbd6ffcf7fdc5dbd19587bc47d9 [0,1,0,2,0,0|0,0,0]=3 43394 B12R2.2014 C(CC1CC1)OCCN2CC2 6c9a7d2563f6ced0310fb2826603eb31 [0,1,0,2,0,0|0,0,0]=3 43395 B12R2.2014 C(COC1CC1)NCC2CC2 4f1fa582b2a03b10eb8b86c1b12ac131 [0,1,0,2,0,0|1,0,0]=4 43396 B12R2.2014 C(COC1CC1)OCC2CC2 a1b197a587c33f02e105a6f0e1d2a0d1 [0,1,0,2,0,0|0,0,0]=3 43397 B12R2.2014 C(COCC1CC1)CC2CC2 189311ccf961dc587eddefae8c7f2493 [0,1,0,2,0,0|0,0,0]=3 43398 B12R2.2014 C(CSCC1CC1)NC2CC2 47f184118ed46d8522c0ee60d3d95beb [0,1,0,2,0,0|0,1,0]=4 43399 B12R2.2064 CCCCOC1CCC12CC2 6260aee3169557d19a3f346e6735517d [0,1,0,2,0,0|0,0,0]=3 43400 B12R2.2064 CCOCOC1CCC12CC2 7d565b903a2172cff32d5cecdee97cf9 [0,1,0,2,0,0|1,0,0]=4 43401 B12R2.2064 COCCOC1CCC12CC2 23d385c8aab269575c945e551c07feca [0,1,0,2,0,0|1,0,0]=4 43402 B12R2.2064 CSCCOC1CCC12CC2 2a6166031e0358cdb29c6ef569e41593 [0,1,0,2,0,0|1,0,0]=4 43403 B12R2.2064 FCCCOC1CCC12CC2 a1da6e449749ccf8b9a2ef47e99fd1f0 [0,1,0,2,0,0|1,0,0]=4 43404 B12R2.2064 SCCCOC1CCC12CC2 2ff7bb3cbfa71b7da22a8874b76146ae [0,1,0,2,0,0|1,0,0]=4 43405 B12R2.2106 CCC1CCN1CCC2CC2 cdc33680e6490880e1a8c649a0cdad9f [0,1,0,2,0,0|1,0,0]=4 43406 B12R2.2106 COC1CCC1NCC2CC2 1d405cfe8faecea8a5bcf020ec8001da [0,1,0,2,0,0|1,0,0]=4 43407 B12R2.2106 CO[C@@H]1CC[C@@H]1NCC2CC2 a4f0c8a8dcb567d3e2637f71218d4514 [0,1,0,2,0,0|1,0,0]=4 43408 B12R2.2106 CO[C@@H]1CC[C@H]1NCC2CC2 545239c13c0533974ff3a0fecdea0fa0 [0,1,0,2,0,0|1,0,0]=4 43409 B12R2.2106 CO[C@H]1CC[C@@H]1NCC2CC2 bae6a4aa09ea120ec8c6c77fcbb203bf [0,1,0,2,0,0|1,0,0]=4 43410 B12R2.2106 CO[C@H]1CC[C@H]1NCC2CC2 779fdc281bef41de8b54d25388e98b0e [0,1,0,2,0,0|1,0,0]=4 43411 B12R2.2106 OCC1CCN1CCC2CC2 8a98ccc9732039ee25a7551c4c7d597b [0,1,0,2,0,0|1,0,0]=4 43412 B12R2.2106 OC[C@@H]1CCN1CCC2CC2 021e425ec6faa75e5c91dd3039fd9fc9 [0,1,0,2,0,0|1,0,0]=4 43413 B12R2.2106 OC[C@H]1CCN1CCC2CC2 d5add1410e2f6ec19924f9121e4a975f [0,1,0,2,0,0|1,0,0]=4 43414 B12R2.2274 CCCN1CCCC1C2CC2 4c27900cfb3cc675c978ab5221a510b0 [0,1,0,2,0,0|1,0,0]=4 43415 B12R2.2274 CCCN1CCC[C@@H]1C2CC2 ae9ae4ffdabde6bdec26948aa1306ebf [0,1,0,2,0,0|1,0,0]=4 43416 B12R2.2333 CCCOC1CCC1C2CC2 ff59a01e1e93d1fe6150a9de5591ca4e [0,1,0,2,0,0|1,0,0]=4 43417 B12R2.2381 C(#CC1CC1)COC2CCC2 792355b8ba3a345f2d074b06a4a53f43 [0,1,0,2,0,0|0,0,1]=4 43418 B12R2.2381 C(=C/C1CC1)\COC2CCC2 1cdaf8de03140fb2cafd7fd3c0c111f8 [0,1,0,2,0,0|0,0,1]=4 43419 B12R2.2381 C(CC1CC1)NCC2CCO2 5dd22523c5d578c0e04ba314196f7c7f [0,1,0,2,0,0|1,0,0]=4 43420 B12R2.2381 C(CC1CC1)NCC2COC2 a95ba04c0372fcfaf2a21d54532ce7be [0,1,0,2,0,0|1,0,0]=4 43421 B12R2.2381 C(CC1CC1)NC[C@@H]2CCO2 59e29aef1375913d424159ef52b241fd [0,1,0,2,0,0|1,0,0]=4 43422 B12R2.2381 C(CC1CC1)NC[C@H]2CCO2 15baf6d79abf3b5d6dc0c30d52d7a0e0 [0,1,0,2,0,0|1,0,0]=4 43423 B12R2.2381 C(CC1CC1)OCC2CCO2 a3e5c0913a4c4c703176f667e4b0f92e [0,1,0,2,0,0|0,0,0]=3 43424 B12R2.2381 C(CC1CC1)OCC2COC2 c9bf961e540bb2a016fa1be64939f8ca [0,1,0,2,0,0|0,0,0]=3 43425 B12R2.2381 C(CC1CC1)OCC2CSC2 c14e0ad62be12e9984c8e3ff870df2d4 [0,1,0,2,0,0|0,0,0]=3 43426 B12R2.2381 C(CC1CC1)OC[C@@H]2CCO2 641b62c81efa9b013e4f81abd9cc9975 [0,1,0,2,0,0|0,0,0]=3 43427 B12R2.2381 C(CC1CC1)OC[C@H]2CCO2 23e12498966ec0b52502bbf836af688f [0,1,0,2,0,0|0,0,0]=3 43428 B12R2.2381 C(CC1CCO1)NCC2CC2 3b275110e1f23b9cc9a4ea0bd65311ed [0,1,0,2,0,0|1,0,0]=4 43429 B12R2.2381 C(CC1CCO1)OCC2CC2 84518948ff93f8716cb64847bd7e0566 [0,1,0,2,0,0|0,0,0]=3 43430 B12R2.2381 C(CC1COC1)NCC2CC2 ea4dafe8b56ca209d40af3ad033d1f32 [0,1,0,2,0,0|1,0,0]=4 43431 B12R2.2381 C(CC1COC1)OCC2CC2 ca1a4519d67379c750b9870db32e11ee [0,1,0,2,0,0|0,0,0]=3 43432 B12R2.2381 C(CN1CC1)OCC2CCO2 7b5f5e11156b04dc661294f49bbb1a1f [0,1,0,2,0,0|1,0,0]=4 43433 B12R2.2381 C(CN1CC1)OCC2COC2 d0fdd4c2fcf7291dffbe36af46ea58ee [0,1,0,2,0,0|1,0,0]=4 43434 B12R2.2381 C(CN1CC1)OC[C@@H]2CCO2 f61f6a9fa8afd3099b7066f4cb75c5a6 [0,1,0,2,0,0|1,0,0]=4 43435 B12R2.2381 C(CN1CC1)OC[C@H]2CCO2 a255a174aa1283d706454f2ccf2122ab [0,1,0,2,0,0|1,0,0]=4 43436 B12R2.2381 C(COC1CC1)CC2CCC2 6d1a6e271ba31c1f737dbfa8bd95ebdc [0,1,0,2,0,0|1,0,0]=4 43437 B12R2.2381 C(COC1CCC1)CC2CC2 9b918ee0087f863ab70b461f5f78a23a [0,1,0,2,0,0|0,0,0]=3 43438 B12R2.2381 C(COC1COC1)CC2CC2 7e920e51691150cc24652e948bde1f72 [0,1,0,2,0,0|1,0,0]=4 43439 B12R2.2381 C(COC1COC1)OC2CC2 53c62b582c19bfc719cd461c2f154082 [0,1,0,2,0,0|1,0,0]=4 43440 B12R2.2381 C(COC1CSC1)OC2CC2 99c02fa2e5c4185bff78b4b86f2aef07 [0,1,0,2,0,0|1,0,0]=4 43441 B12R2.2381 C(C[C@@H]1CCO1)NCC2CC2 3d29eb69be76bfbe3961205062c62719 [0,1,0,2,0,0|1,0,0]=4 43442 B12R2.2381 C(C[C@@H]1CCO1)OCC2CC2 ed7af82e9cc4adef9f0dfd8f3a24b8a6 [0,1,0,2,0,0|0,0,0]=3 43443 B12R2.2381 C(C[C@H]1CCO1)OCC2CC2 eb4f482d405a57cac47c75f64903376c [0,1,0,2,0,0|0,0,0]=3 43444 B12R2.2381 C1CC(C1)CCNCC2CC2 06ab74bb1ba06716ded682e1be60983f [0,1,0,2,0,0|1,0,0]=4 43445 B12R2.2381 C1CC(C1)CCOCC2CC2 104385811461920c2d504d52272c54a6 [0,1,0,2,0,0|0,0,0]=3 43446 B12R2.2381 C1CC(C1)CNCCC2CC2 92cf606c4f0726820945f71cc3d9f558 [0,1,0,2,0,0|1,0,0]=4 43447 B12R2.2381 C1CC(C1)CNCCN2CC2 681d82ab1fc1eb261e23bc857b05a24c [0,1,0,2,0,0|1,0,0]=4 43448 B12R2.2381 C1CC(C1)COCCC2CC2 a84d87d7cb25fe77a4faa1026d59744b [0,1,0,2,0,0|0,0,0]=3 43449 B12R2.2381 C1CC(C1)COCCN2CC2 e66b80ab926b864e3dcf3211d7ccc66a [0,1,0,2,0,0|0,0,0]=3 43450 B12R2.2381 C1CC(C1)NCCOC2CC2 97d592d52c5e266cda74ed261ce31527 [0,1,0,2,0,0|1,0,0]=4 43451 B12R2.2381 C1CC(C1)OCCNC2CC2 5a9a0482fe79b4d166e95f626afd54d9 [0,1,0,2,0,0|0,0,0]=3 43452 B12R2.2381 C1CC(C1)OCCOC2CC2 43e506495cc78f814ade5af46831dd23 [0,1,0,2,0,0|0,0,0]=3 43453 B12R2.2381 C1CN(C1)CCNCC2CC2 ca234c76520a426544f6925f1b9aa82a [0,1,0,2,0,0|1,0,0]=4 43454 B12R2.2381 C1CN(C1)CCOCC2CC2 161cbfb9d322e8e6c53e95c5eb808f7d [0,1,0,2,0,0|0,0,0]=3 43455 B12R2.3808 C1CCCC(CC1)NC2CC2 5c3cd618c3ca2044f96407741591d94b [0,1,0,2,0,0|1,0,0]=4 43456 B12R2.3808 C1CCCC(CC1)OC2CC2 efd7cd9ef0033983c793e46dc27fc106 [0,1,0,2,0,0|1,0,0]=4 43457 B12R2.3808 C1CCCN(CC1)CC2CC2 9940074b4abc054b0540fbe175654de5 [0,1,0,2,0,0|1,0,0]=4 43458 B12R2.3808 C1COCC(CO1)OC2CC2 5861e604f278492b484b459d540ee509 [0,1,0,2,0,0|1,0,0]=4 43459 B12R2.3808 C1COCCN(C1)CC2CC2 60f663784d7fcefe7eeec173a0f3c7ef [0,1,0,2,0,0|1,0,0]=4 43460 B12R2.1246 CC1(CC1OC[C@@H]2C[C@@H]2F)C b826470f10530004fd97604337050d46 [0,1,0,2,0,0|1,0,0]=4 43461 B12R2.1246 CC1(CC1OC[C@@H]2C[C@H]2F)C 4274f262aba016ddefef3a3ef64359f5 [0,1,0,2,0,0|1,0,0]=4 43462 B12R2.1246 CC1(CC1OC[C@H]2C[C@@H]2F)C f3d0c9aa3f5ded15d1ae028b519a81e7 [0,1,0,2,0,0|1,0,0]=4 43463 B12R2.1246 CC1(CC1OC[C@H]2C[C@H]2F)C e7729f34bb51e3d11cfaf5abff43be8e [0,1,0,2,0,0|1,0,0]=4 43464 B12R2.1246 CC1CC1COC2CC2(C)C 326cc8087af8769029ec57c1da86e188 [0,1,0,2,0,0|0,0,0]=3 43465 B12R2.1246 CC1CC1COC2CC2(F)F 2ff4fe25db2262cb1ed865ac984ce9c1 [0,1,0,2,0,0|1,0,0]=4 43466 B12R2.1246 C[C@@H]1C[C@H]1COC2CC2(C)C 2903917f8d235ccb2e9480f2efdf263a [0,1,0,2,0,0|0,0,0]=3 43467 B12R2.1246 C[C@@H]1C[C@H]1COC2CC2(F)F e864a7afa5c23caf82bdbc9977786124 [0,1,0,2,0,0|1,0,0]=4 43468 B12R2.1246 C[C@H]1C[C@@H]1COC2CC2(C)C 57fa7746209cd02081f2a59ac87da103 [0,1,0,2,0,0|0,0,0]=3 43469 B12R2.1246 C[C@H]1C[C@@H]1COC2CC2(F)F 65e3089b75c361501b706d6c34e7141e [0,1,0,2,0,0|1,0,0]=4 43470 B12R2.1246 C[C@H]1C[C@H]1COC2CC2(C)C 08bb3be21edf19fe8a75ebe04cc739ad [0,1,0,2,0,0|0,0,0]=3 43471 B12R2.1246 C[C@H]1C[C@H]1COC2CC2(F)F 8bacbea36828fefd69661f702789579b [0,1,0,2,0,0|1,0,0]=4 43472 B12R2.3151 CC(C)OC1COC12CCC2 0b8f73ccca99e17c05fa546154e7b2b9 [0,1,0,2,0,0|1,0,0]=4 43473 B12R2.547 CC1OCC1OC2CC2(C)C 30508e1813fe6abf319d7ce82697fb06 [0,1,0,2,0,0|1,0,0]=4 43474 B12R2.547 C[C@@H]1CC[C@@H]1NC2CC2(C)C f618cefa01c0b2846dbe9a5b6f33b4e6 [0,1,0,2,0,0|1,0,0]=4 43475 B12R2.547 C[C@@H]1CC[C@H]1NC2CC2(C)C a353258dc936a24b52bea4e2d1aa15cf [0,1,0,2,0,0|1,0,0]=4 43476 B12R2.2401 CC1(CC1NC2CCCC2)C f38ade4b54da0b114516ec7179eb2934 [0,1,0,2,0,0|1,0,0]=4 43477 B12R2.2401 CC1(CC1OC2CCCC2)C 0b7415e60b3ce6949f987dcc3924a30e [0,1,0,2,0,0|0,0,0]=3 43478 B12R2.2401 CC1(CC1OC2CCCO2)C 46f7593fbf6041863ff029abf1cbe876 [0,1,0,2,0,0|1,0,0]=4 43479 B12R2.2401 CC1(CC1OC2CCOC2)C 7e70575b7089c47ff8ff4b5928fefa6a [0,1,0,2,0,0|1,0,0]=4 43480 B12R2.2401 CC1(CC1OC2CCSC2)C 807af84db264c3524702db52f8b1edbd [0,1,0,2,0,0|1,0,0]=4 43481 B12R2.2401 CC1(CC1O[C@@H]2CCOC2)C eddc6f18cacc839ff96c46a1b06c1cdd [0,1,0,2,0,0|1,0,0]=4 43482 B12R2.2401 CC1(CC1O[C@@H]2CCSC2)C da446f3cd8de93a99b826970a19352d6 [0,1,0,2,0,0|1,0,0]=4 43483 B12R2.2401 CC1(CC1O[C@H]2CCOC2)C 2ce385b3cb9dc239abe59ded219ee914 [0,1,0,2,0,0|1,0,0]=4 43484 B12R2.2401 CC1(CC1O[C@H]2CCSC2)C 2602690c1474c0f923f79bf43a1355e2 [0,1,0,2,0,0|1,0,0]=4 43485 B12R2.2401 CC1(C[C@@H]1NC2CCCC2)C 6f9a7f882b1a7b2d48e64c31b5c36c30 [0,1,0,2,0,0|1,0,0]=4 43486 B12R2.2401 CC1(C[C@H]1NC2CCCC2)C 6ba2aadfbcb9fdc690ac9bfd2deada51 [0,1,0,2,0,0|1,0,0]=4 43487 B12R2.2401 FC1(CC1OC2CCCC2)F 58d52af85dbb295ec090bba8fcab0350 [0,1,0,2,0,0|1,0,0]=4 43488 B12R2.539 CC1(CC1COC2CCC2)C da0431c3eb7c96019ee3d84cdc5bb345 [0,1,0,2,0,0|0,0,0]=3 43489 B12R2.539 CC1(CC1COC2COC2)C 48b9d77ea7615e212f84505372257904 [0,1,0,2,0,0|1,0,0]=4 43490 B12R2.539 CC1(CC1NCC2CCC2)C c1be12c45fe319fee9b34964fe53a74b [0,1,0,2,0,0|1,0,0]=4 43491 B12R2.539 CC1(CC1OCC2CCC2)C e9bdbf8ffb639e19c14bfeb12bb173d7 [0,1,0,2,0,0|0,0,0]=3 43492 B12R2.539 CC1(CC1OCC2CCO2)C c606b6ef98fe7cc9521939fdf6f3a701 [0,1,0,2,0,0|1,0,0]=4 43493 B12R2.539 CC1(CC1OCC2COC2)C ab9eec07d56b97bc90328e1b005fa667 [0,1,0,2,0,0|1,0,0]=4 43494 B12R2.539 CC1(CC1OCC2CSC2)C cefe34508f9da81e41c19c026f2f0773 [0,1,0,2,0,0|1,0,0]=4 43495 B12R2.539 CC1(CC1OC[C@@H]2CCO2)C abd4aab8d9aaf48ceb8bceed173d87b6 [0,1,0,2,0,0|1,0,0]=4 43496 B12R2.539 CC1(CC1OC[C@H]2CCO2)C 1a08d89820fda25900b8583783e5dbd0 [0,1,0,2,0,0|1,0,0]=4 43497 B12R2.539 CC1(C[C@@H]1CNC2CCC2)C 47f0fdffc7e8ed3a1b0f9db9d73d2c39 [0,1,0,2,0,0|1,0,0]=4 43498 B12R2.539 CC1(C[C@@H]1COC2CCC2)C cd938ed712908104c9da93c30486e7f4 [0,1,0,2,0,0|0,0,0]=3 43499 B12R2.539 CC1(C[C@@H]1COC2COC2)C db1d090e1e6248ee8a3165d7c5a1a7b6 [0,1,0,2,0,0|1,0,0]=4 43500 B12R2.539 CC1(C[C@@H]1NCC2CCC2)C d490f2a0fce00af8faa46f4ffbf3baf5 [0,1,0,2,0,0|1,0,0]=4 43501 B12R2.539 CC1(C[C@H]1CNC2CCC2)C bb822658cee421ff1245a3263caa1d1a [0,1,0,2,0,0|1,0,0]=4 43502 B12R2.539 CC1(C[C@H]1COC2CCC2)C 2add5d2c1035c8a519d053fb1adaff78 [0,1,0,2,0,0|0,0,0]=3 43503 B12R2.539 CC1(C[C@H]1COC2COC2)C bf7671ccd4e463acaff4cc71db281c66 [0,1,0,2,0,0|1,0,0]=4 43504 B12R2.539 CC1(C[C@H]1NCC2CCC2)C 258bb5f25e77c81e2b6907e648a25f6e [0,1,0,2,0,0|1,0,0]=4 43505 B12R2.539 FC1(CC1COC2CCC2)F 7d5c606a7b9ea7afee035cc7a0f86854 [0,1,0,2,0,0|1,0,0]=4 43506 B12R2.539 FC1(CC1OCC2CCC2)F e884f8dc571050d7ebb6f8698b3743e9 [0,1,0,2,0,0|1,0,0]=4 43507 B12R2.539 FC1(C[C@@H]1COC2CCC2)F 08db95c805714ed6c746bcdadec02832 [0,1,0,2,0,0|1,0,0]=4 43508 B12R2.539 FC1(C[C@H]1COC2CCC2)F c13197e5950dd3ef1dcf90a4edc42aef [0,1,0,2,0,0|1,0,0]=4 43509 B12R2.2400 CC1(CCCN1C2CCC2)C dd231dd79e5aafbd30c3f2f36097a3a9 [0,1,0,2,0,0|1,0,0]=4 43510 B12R2.2402 CC1(CCC1OC2CCC2)C ab2810108f32305adee1aaae4965f49a [0,1,0,2,0,0|0,0,0]=3 43511 B12R2.2402 CC1(CCC1OC2COC2)C 5bc8a4b230834fd70938feaf5faefaa7 [0,1,0,2,0,0|1,0,0]=4 43512 B12R2.2402 CC1(OCC1OC2CCC2)C 12a0fe9378f8b830e2dc12534415ce74 [0,1,0,2,0,0|1,0,0]=4 43513 B12R2.2402 FC1(CCC1OC2CCC2)F 1fd6590377f16a43c0bcf76dd8174ab6 [0,1,0,2,0,0|1,0,0]=4 43514 B12R2.534 CC1(CCCN1CC2CC2)C 1553f0a611f6f930001cfac5380cd437 [0,1,0,2,0,0|1,0,0]=4 43515 B12R2.2355 CC1(CC1COCC2CC2)C c45a6fc1e36cb187843f9e886e07725d [0,1,0,2,0,0|0,0,0]=3 43516 B12R2.2355 CC1(CC1NCCC2CC2)C 3f3adc764a0673c446bf6027fd983292 [0,1,0,2,0,0|1,0,0]=4 43517 B12R2.2355 CC1(CC1OCCC2CC2)C f2092c4ffa52859a50e1ffe774e74d70 [0,1,0,2,0,0|0,0,0]=3 43518 B12R2.2355 CC1(CC1OCCN2CC2)C 359b15eea69e316aaf8b2f83f427aec3 [0,1,0,2,0,0|1,0,0]=4 43519 B12R2.2355 CC1(C[C@@H]1CNCC2CC2)C 8bb5f0bbdc1d8cafcf26aa475fe96e3f [0,1,0,2,0,0|1,0,0]=4 43520 B12R2.2355 CC1(C[C@@H]1COCC2CC2)C dfa05c413eba462c89e9237f170ee7af [0,1,0,2,0,0|0,0,0]=3 43521 B12R2.2355 CC1(C[C@@H]1NCCC2CC2)C 88f0dbbc856139d8888cf357aa200a57 [0,1,0,2,0,0|1,0,0]=4 43522 B12R2.2355 CC1(C[C@H]1CNCC2CC2)C cc98b8bca395924d4d145aca18ff42c9 [0,1,0,2,0,0|1,0,0]=4 43523 B12R2.2355 CC1(C[C@H]1COCC2CC2)C d0920d8255d0122615f84db985eee423 [0,1,0,2,0,0|0,0,0]=3 43524 B12R2.2355 CC1(C[C@H]1NCCC2CC2)C 9caf8394d4127414a507bf20c346e3da [0,1,0,2,0,0|1,0,0]=4 43525 B12R2.2355 FC1(CC1COCC2CC2)F 09ed254c41a6f8f289d6a5c161366389 [0,1,0,2,0,0|1,0,0]=4 43526 B12R2.2355 FC1(CC1OCCC2CC2)F 682c337aa1d0088ea76892c40627721a [0,1,0,2,0,0|1,0,0]=4 43527 B12R2.2355 FC1(C[C@@H]1COCC2CC2)F 1aff374aa9bfb669350b06d74de0c9e0 [0,1,0,2,0,0|1,0,0]=4 43528 B12R2.2355 FC1(C[C@H]1COCC2CC2)F 4c8554e5be35b2510c7682767fcca4d7 [0,1,0,2,0,0|1,0,0]=4 43529 B12R2.2359 CC1(CCC1OCC2CC2)C b21c5ca6f24fddb4f1127a4568848821 [0,1,0,2,0,0|0,0,0]=3 43530 B12R2.2359 CC1(OCC1OCC2CC2)C fb62ea7d1dc4b0eafbc5a05f29aa9a39 [0,1,0,2,0,0|1,0,0]=4 43531 B12R2.2359 FC1(CCC1OCC2CC2)F fbac30f72077082edcf55520fecfea55 [0,1,0,2,0,0|1,0,0]=4 43532 B12R2.1817 CCC1CCN1C2CC2(C)C d8970000840225d64b87492e7a322eba [0,1,0,2,0,0|1,0,0]=4 43533 B12R2.140 CCCN1C2CCCCC1C2 0a3f5d6db3d0daf309358d8689fedbce [0,1,0,2,0,0|1,0,0]=4 43534 B12R2.32 CCN1CC2CCCCC2C1 0814d3853399ec335587a0be734595ed [0,1,0,2,0,0|1,0,0]=4 43535 B12R2.32 CCN1C[C@H]2CCCC[C@H]2C1 c1464cd7484159bb6f4851f2dfd6c661 [0,1,0,2,0,0|1,0,0]=4 43536 B12R2.263 CCCCN1C2COCC1C2 e795a4f0b518d36692f4184a7374e055 [0,1,0,2,0,0|1,0,0]=4 43537 B12R2.517 C[C@@H]1CCCC[C@@H]1N2CCC2 1eefdda2b5cf303b0128f3c95cf9a020 [0,1,0,2,0,0|1,0,0]=4 43538 B12R2.1 CCN1CCC2C1CCCC2 59237da90e11190830a72ea8e7ea2d01 [0,1,0,2,0,0|1,0,0]=4 43539 B12R2.264 CCCCN1C2CCC1CC2 d89564d42636bca0296dffe3d53af8e5 [0,1,0,2,0,0|1,0,0]=4 43540 B12R2.264 CCCCN1[C@H]2CC[C@@H]1CC2 cb8f113a4eaf4797938188473a7f6913 [0,1,0,2,0,0|1,0,0]=4 43541 B12R2.264 CCCNC1C2CCC1CC2 57f4649ba1dc49dd59f114eab9c01dda [0,1,0,2,0,0|1,0,0]=4 43542 B12R2.264 CCCOC1C2CCC1CC2 fcfcf821846ba82cd9d24ca6324d5f8d [0,1,0,2,0,0|1,0,0]=4 43543 B12R2.35 CCN1CCC12CCCCC2 5a8b304dda6c24a951bd3090e12503ca [0,1,0,2,0,0|1,0,0]=4 43544 B12R2.372 CCN1CCN2CCC1CC2 4c3ed2346a2dcf36564723d078f0f87a [0,1,0,2,0,0|1,0,0]=4 43545 B12R2.1509 CCCCN1C2C1CCCC2 3497918cab86a195ddefcf73c9c63fe9 [0,1,0,2,0,0|1,0,0]=4 43546 B12R2.2058 C1=CC(CCC1)OC2CCC2 09ba35857c67b7bd24ae7468c7cc47c8 [0,1,0,2,0,0|0,0,1]=4 43547 B12R2.2058 C1=CCC(CC1)OC2CCC2 b7639e6631c68f363383a5d413e8bd41 [0,1,0,2,0,0|0,0,1]=4 43548 B12R2.2058 C1CC(C1)CN2CCCOC2 8f6413e78b54cb06ea9c3e935d741107 [0,1,0,2,0,0|1,0,0]=4 43549 B12R2.2058 C1CC(C1)CN2CCCSC2 5daa54d1522ec1ec8df8768ccf11aff1 [0,1,0,2,0,0|1,0,0]=4 43550 B12R2.2058 C1CC(C1)CN2CCOCC2 ca6a66fbfdde8b4bdf25c02c953daddd [0,1,0,2,0,0|1,0,0]=4 43551 B12R2.2058 C1CC(C1)CN2CCSCC2 de4b5a550bd069cd8d934a33118f1e82 [0,1,0,2,0,0|1,0,0]=4 43552 B12R2.2058 C1CC(C1)NC2CCCOC2 8a6f4904eca00c6f3ce95ca760c30ea7 [0,1,0,2,0,0|1,0,0]=4 43553 B12R2.2058 C1CC(C1)NC2CCOCC2 e873b0a04da800cfcabf67f53428f8a7 [0,1,0,2,0,0|1,0,0]=4 43554 B12R2.2058 C1CC(C1)NC2CCSCC2 3886f457313c54d7f599e8401c0026f2 [0,1,0,2,0,0|1,0,0]=4 43555 B12R2.2058 C1CC(C1)N[C@@H]2CCCOC2 9afbd3604168d0dd8aff12bf2b32a425 [0,1,0,2,0,0|1,0,0]=4 43556 B12R2.2058 C1CC(C1)N[C@H]2CCCOC2 c338593e0d19da3e753a80d5305e51db [0,1,0,2,0,0|1,0,0]=4 43557 B12R2.2058 C1CC(C1)OC2CCCOC2 8a7998d3681356ba22455c37d64a7571 [0,1,0,2,0,0|0,0,0]=3 43558 B12R2.2058 C1CC(C1)OC2CCCSC2 0e5dd4f8036bcee1e57d528429b6e6d7 [0,1,0,2,0,0|0,0,0]=3 43559 B12R2.2058 C1CC(C1)OC2CCOCC2 cf29bb5e8417141c77c149aa9ce583ca [0,1,0,2,0,0|0,0,0]=3 43560 B12R2.2058 C1CC(C1)OC2CCSCC2 cbe1998ccfcfe49f0466bc3dc2802364 [0,1,0,2,0,0|0,0,0]=3 43561 B12R2.2058 C1CC(C1)O[C@@H]2CCCOC2 56949e16c6cb06fc15f4871f44225070 [0,1,0,2,0,0|0,0,0]=3 43562 B12R2.2058 C1CC(C1)O[C@H]2CCCOC2 a27c1bf10f2b9946eb0bcd551f8c4c2c [0,1,0,2,0,0|0,0,0]=3 43563 B12R2.2058 C1CC(CCO1)OC2COC2 4c951b28085ec84cb684e3edef9df42a [0,1,0,2,0,0|1,0,0]=4 43564 B12R2.2058 C1CC(CCO1)OC2CSC2 5ef2dbdf83bed99f6491163df9238b9b [0,1,0,2,0,0|1,0,0]=4 43565 B12R2.2058 C1CC(CCS1)OC2COC2 16cd18b5196b638f802df72ce145c4fd [0,1,0,2,0,0|1,0,0]=4 43566 B12R2.2058 C1CC(CCS1)OC2CSC2 4fc990a40f7832f62e67875d2e6c4129 [0,1,0,2,0,0|1,0,0]=4 43567 B12R2.2058 C1CCC(CC1)CN2CCC2 0e91b1d4b03122114c35d93a1f6604da [0,1,0,2,0,0|1,0,0]=4 43568 B12R2.2058 C1CCC(CC1)NC2CCC2 3bd5a9a66d4b021e554daac1277db1c6 [0,1,0,2,0,0|1,0,0]=4 43569 B12R2.2058 C1CCC(CC1)OC2CCC2 ea6c9950851110bb9ba846aaaf7295c3 [0,1,0,2,0,0|0,0,0]=3 43570 B12R2.2058 C1CCC(CC1)OC2COC2 91ed9bd8ceeb90382fee5b5a30942511 [0,1,0,2,0,0|1,0,0]=4 43571 B12R2.2058 C1CCC(CC1)OC2CSC2 a0910f40d5134ff2c1548ecda8d03b89 [0,1,0,2,0,0|1,0,0]=4 43572 B12R2.2058 C1CCC(OC1)CN2CCC2 533dde724881a7187c0fc73c3527b46f [0,1,0,2,0,0|0,0,0]=3 43573 B12R2.2058 C1CCC(OC1)NC2CCC2 f0fbac0c263366c77e64ad16c6fe075b [0,1,0,2,0,0|0,0,0]=3 43574 B12R2.2058 C1CCC(OC1)NC2COC2 71e2c4a2cd30179a998b5c89090af2d4 [0,1,0,2,0,0|1,0,0]=4 43575 B12R2.2058 C1CCC(OC1)OC2CCC2 ef46d4c6147d0361c11fdbf3d185cbfe [0,1,0,2,0,0|0,0,0]=3 43576 B12R2.2058 C1CCC(OC1)OC2COC2 52d078079a4f12b90a33f59228ba94f7 [0,1,0,2,0,0|1,0,0]=4 43577 B12R2.2058 C1CCC(OC1)OC2CSC2 4fbd544c9a125da6d60571a8aff05ca7 [0,1,0,2,0,0|1,0,0]=4 43578 B12R2.2058 C1CN(C1)CC2COCCO2 48fd8f549204cc5a115b50ffdc42cf88 [0,1,0,2,0,0|1,0,0]=4 43579 B12R2.2058 C1COCC(C1)OC2COC2 f168a5f9a6914054d8d6fbfbf9044f68 [0,1,0,2,0,0|1,0,0]=4 43580 B12R2.2058 C1COC[C@@H](C1)OC2COC2 12a38f779d0e315552b6dfc6a3e941eb [0,1,0,2,0,0|1,0,0]=4 43581 B12R2.2058 C1COC[C@H](C1)OC2COC2 6c0b931205ec3ce874eb2226a130011f [0,1,0,2,0,0|1,0,0]=4 43582 B12R2.2058 C1CSCC(C1)OC2COC2 4cb67a0bf9e1416b0c9e69645bdc31d6 [0,1,0,2,0,0|1,0,0]=4 43583 B12R2.165 CCCN1C2CCC1COC2 cbbce0c089d2af4fa30f186a1c43c76b [0,1,0,2,0,0|0,0,0]=3 43584 B12R2.165 CCCN1C2CCCC1CC2 b20f444210d4f77581b2c2a8dbc0d5f1 [0,1,0,2,0,0|1,0,0]=4 43585 B12R2.165 CCCN1[C@@H]2CCC[C@H]1CC2 a7bfedb5289485a92d92353d4c62bfb7 [0,1,0,2,0,0|1,0,0]=4 43586 B12R2.165 CCCN1[C@@H]2CC[C@H]1COC2 9b94ac511b819fff1b33089fb27c4de9 [0,1,0,2,0,0|0,0,0]=3 43587 B12R2.165 CCNC1C2CCC1COC2 0a07a71425cbcd7a027cdcbfb802e282 [0,1,0,2,0,0|0,0,0]=3 43588 B12R2.165 CCOC1C2CCC1COC2 9a69e4f142c07defc3af745f25b99eef [0,1,0,2,0,0|0,0,0]=3 43589 B12R2.165 COCN1C2CCC1COC2 e005cf6610b989a758f77f280568903d [0,1,0,2,0,0|1,0,0]=4 43590 B12R2.165 COCN1[C@@H]2CC[C@H]1COC2 3168202e08df82e2eddf1bb38f36b36c [0,1,0,2,0,0|1,0,0]=4 43591 B12R2.165 CSCN1C2CCC1COC2 199801cd791ee3bf275990da54767379 [0,1,0,2,0,0|1,0,0]=4 43592 B12R2.165 CSCN1[C@@H]2CC[C@H]1COC2 3880a8f100a48d0a15916a4e3bb7f39b [0,1,0,2,0,0|1,0,0]=4 43593 B12R2.165 FCCN1C2CCC1COC2 c4d1a9f487c517fae832cfc8caf6ccf0 [0,1,0,2,0,0|1,0,0]=4 43594 B12R2.165 FCCN1[C@@H]2CC[C@H]1COC2 c7185b43cdb2b081491fa22e966282f8 [0,1,0,2,0,0|1,0,0]=4 43595 B12R2.165 FCNC1C2CCC1COC2 2934b4a1190a21fe6b232f1b6cf4ad57 [0,1,0,2,0,0|1,0,0]=4 43596 B12R2.165 FCOC1C2CCC1COC2 42df7994516886377682a846cd312e3b [0,1,0,2,0,0|1,0,0]=4 43597 B12R2.165 OCCN1C2CCC1COC2 482151bdce4564d0e07224c173409cea [0,1,0,2,0,0|1,0,0]=4 43598 B12R2.165 OCCN1[C@@H]2CC[C@H]1COC2 797e905ffa54bae3f50a3aae64c2146f [0,1,0,2,0,0|1,0,0]=4 43599 B12R2.165 OCNC1C2CCC1COC2 62cba0bf9fae1fcc1f95355c2096f71c [0,1,0,2,0,0|1,0,0]=4 43600 B12R2.165 SCCN1C2CCC1COC2 eada5afc59aa1a3d453fec3e45474086 [0,1,0,2,0,0|1,0,0]=4 43601 B12R2.165 SCCN1[C@@H]2CC[C@H]1COC2 6d005cfdcb221bf122b70800652dd993 [0,1,0,2,0,0|1,0,0]=4 43602 B12R2.2112 CCN1CCOCC12CCC2 f4ad71067bdfa7326eb9f888cd4176de [0,1,0,2,0,0|0,0,0]=3 43603 B12R2.2112 FCN1CCOCC12CCC2 31f99c2450e138fc45d2c98af96aa13a [0,1,0,2,0,0|1,0,0]=4 43604 B12R2.2112 OCN1CCOCC12CCC2 3cf9a463132c8702d04f7c1e4cb9a237 [0,1,0,2,0,0|1,0,0]=4 43605 B12R2.1310 CC1OCC1NCC2CCC2 1fd0fd743d0ae054cbff45047fb2ba07 [0,1,0,2,0,0|1,0,0]=4 43606 B12R2.1310 CC1OCC1OCC2CCC2 2365c1fe1ffa7816072dbb23440a8ada [0,1,0,2,0,0|0,0,0]=3 43607 B12R2.1310 CC1OCC1OCC2CCO2 0c80016668859f9aa3640d3541bc7968 [0,1,0,2,0,0|1,0,0]=4 43608 B12R2.1310 CC1OCC1OCC2COC2 711b17e8d267acda6aec645c5aa0ea94 [0,1,0,2,0,0|1,0,0]=4 43609 B12R2.1310 CC1OCC1OC[C@@H]2CCO2 1c59a91fd64e0b51e7b2762ca457178d [0,1,0,2,0,0|1,0,0]=4 43610 B12R2.1310 CC1OCC1OC[C@H]2CCO2 d9cca31d613c0f35403daacc08fce09a [0,1,0,2,0,0|1,0,0]=4 43611 B12R2.1310 CN1CCC1CNC2CCC2 559f386656335d2cc837ce93822ac1f5 [0,1,0,2,0,0|1,0,0]=4 43612 B12R2.1310 CN1CCC1COC2CCC2 e84b50fa93ea99d593ce0d3643460c1e [0,1,0,2,0,0|0,0,0]=3 43613 B12R2.1310 CN1CCC1COC2COC2 20605b1a28288adcf82e32f954b37e6c [0,1,0,2,0,0|1,0,0]=4 43614 B12R2.1310 CN1CC[C@@H]1COC2CCC2 7a4b55202daa0615c7eb3e987bf3ea1f [0,1,0,2,0,0|0,0,0]=3 43615 B12R2.1310 CN1CC[C@@H]1COC2COC2 884f35cfe579db8b8c5b40c684ac2119 [0,1,0,2,0,0|1,0,0]=4 43616 B12R2.1310 CN1CC[C@H]1COC2CCC2 fae72956c5b8c84ae529ef34d07cd328 [0,1,0,2,0,0|0,0,0]=3 43617 B12R2.1310 CN1CC[C@H]1COC2COC2 ebac7bf01565b366761840188b4c8c09 [0,1,0,2,0,0|1,0,0]=4 43618 B12R2.1310 C[C@@H]1CC[C@@H]1NCC2CCC2 9f77219da96ff7dddb62718bebfb6661 [0,1,0,2,0,0|1,0,0]=4 43619 B12R2.1310 C[C@@H]1CC[C@@H]1NCC2CCO2 64827d36db70f346f506dcdae35f3cce [0,1,0,2,0,0|1,0,0]=4 43620 B12R2.1310 C[C@@H]1CC[C@@H]1NCC2COC2 c7c73792b165b38671bb08398ccd20bd [0,1,0,2,0,0|1,0,0]=4 43621 B12R2.1310 C[C@@H]1CC[C@@H]1NC[C@@H]2CCO2 477b91f6398fa6d30086d8a1c5c8826d [0,1,0,2,0,0|1,0,0]=4 43622 B12R2.1310 C[C@@H]1CC[C@@H]1NC[C@H]2CCO2 b7e04acda19b5e918ff272f2989beb29 [0,1,0,2,0,0|1,0,0]=4 43623 B12R2.1310 C[C@@H]1CC[C@H]1NCC2CCC2 1bf4a6f637d403ffdffe40ee74f36e36 [0,1,0,2,0,0|1,0,0]=4 43624 B12R2.1310 C[C@@H]1CC[C@H]1NCC2CCO2 b5cc89a3a0efac43757bc35debaecd43 [0,1,0,2,0,0|1,0,0]=4 43625 B12R2.1310 C[C@@H]1CC[C@H]1NCC2COC2 1fe85670b0d67b0a4c62a24706a77be0 [0,1,0,2,0,0|1,0,0]=4 43626 B12R2.1310 C[C@@H]1CC[C@H]1NC[C@@H]2CCO2 9487670f6b1efc5f53b10bf8f25e8f0e [0,1,0,2,0,0|1,0,0]=4 43627 B12R2.1310 C[C@@H]1CC[C@H]1NC[C@H]2CCO2 44a48337491c6031deb9f4a0f0f43d98 [0,1,0,2,0,0|1,0,0]=4 43628 B12R2.1310 FC1CCC1COC2CCC2 554dbdd503f78959112f80df38325cb4 [0,1,0,2,0,0|0,0,0]=3 43629 B12R2.1310 FC1CCC1COC2COC2 a0a04b045cb22892e424cfb5012f85c4 [0,1,0,2,0,0|1,0,0]=4 43630 B12R2.1310 FC1CCC1NCC2CCC2 fb5d4167b01ea4940d99a30f8bf53079 [0,1,0,2,0,0|1,0,0]=4 43631 B12R2.1310 O=C1CCC1COC2CCC2 3b6e11917cc7507d46800824571a386d [0,1,0,2,0,0|0,0,1]=4 43632 B12R2.1310 O=C1CCC1OCC2CCC2 7c7998b4f9ab0c92458a1fa2395d3316 [0,1,0,2,0,0|0,0,1]=4 43633 B12R2.1310 OC1CCC1NCC2CCC2 8c699e874b12f8d775214d5c78c35e69 [0,1,0,2,0,0|1,0,0]=4 43634 B12R2.1310 O[C@@H]1CC[C@@H]1NCC2CCC2 1185733ced7ed56fefaf4ac0dc575b8a [0,1,0,2,0,0|1,0,0]=4 43635 B12R2.1310 O[C@@H]1CC[C@H]1NCC2CCC2 a801b228792203651f68f9f7207f53c6 [0,1,0,2,0,0|1,0,0]=4 43636 B12R2.1310 O[C@H]1CC[C@@H]1NCC2CCC2 ece58e46be05676954637ab9582e65b8 [0,1,0,2,0,0|1,0,0]=4 43637 B12R2.1310 O[C@H]1CC[C@H]1NCC2CCC2 d7fa14ca3113e8bfd0c3b4993fa6f115 [0,1,0,2,0,0|1,0,0]=4 43638 B12R2.1517 CCCCN1CCC12COC2 50b486980e35a4fa6a3f53e9ca99241b [0,1,0,2,0,0|1,0,0]=4 43639 B12R2.1517 CCCOC1CCC12CCC2 55cf3c9b575dc855502788b099a85ab8 [0,1,0,2,0,0|1,0,0]=4 43640 B12R2.1517 CCCOC1COC12CCC2 69b06154c1de9b2d5464c48aec07e6b3 [0,1,0,2,0,0|0,0,0]=3 43641 B12R2.1517 COCOC1COC12CCC2 9817dd0aadb518d0b7b7607435c55c8b [0,1,0,2,0,0|1,0,0]=4 43642 B12R2.1517 CSCOC1COC12CCC2 8fdae324a194e8d33bef7ed03b2b0518 [0,1,0,2,0,0|1,0,0]=4 43643 B12R2.1517 FCCOC1COC12CCC2 d716eccd58401e8e9a1b121abb8c4475 [0,1,0,2,0,0|1,0,0]=4 43644 B12R2.1517 SCCOC1COC12CCC2 5ec78f0f7edc30cb2deda42be847bd19 [0,1,0,2,0,0|1,0,0]=4 43645 B12R2.1938 CCC1CCN1CC2CCC2 75f246106793d488ad44bd7a88411768 [0,1,0,2,0,0|1,0,0]=4 43646 B12R2.1938 CCC1CCN1CC2CCO2 7cc4909218a54ef855e713af1817110c [0,1,0,2,0,0|1,0,0]=4 43647 B12R2.1938 CCC1CCN1CC2COC2 98c5d0f4a7e7cf799880eced6e26d964 [0,1,0,2,0,0|1,0,0]=4 43648 B12R2.1938 CCC1CCN1C[C@@H]2CCO2 f559a3a368b28346377138334a88b041 [0,1,0,2,0,0|1,0,0]=4 43649 B12R2.1938 CCC1CCN1C[C@H]2CCO2 3dd787d2be0b59e1e786b9277b0d13a3 [0,1,0,2,0,0|1,0,0]=4 43650 B12R2.1938 COC1CCC1NC2CCC2 c20843c8f12824ea99108e7eaba81314 [0,1,0,2,0,0|1,0,0]=4 43651 B12R2.1938 CO[C@@H]1CC[C@@H]1NC2CCC2 6aca75a4e7ff1d4328e6c1d654e63061 [0,1,0,2,0,0|1,0,0]=4 43652 B12R2.1938 CO[C@@H]1CC[C@H]1NC2CCC2 e6475d94d9f3cd94399a739c7e36fd78 [0,1,0,2,0,0|1,0,0]=4 43653 B12R2.1938 CO[C@H]1CC[C@@H]1NC2CCC2 4158339b7c8657012890c0cf8bff9d92 [0,1,0,2,0,0|1,0,0]=4 43654 B12R2.1938 CO[C@H]1CC[C@H]1NC2CCC2 5f153236bfcfbca3f0129a1d9aa5e1b1 [0,1,0,2,0,0|1,0,0]=4 43655 B12R2.1938 OCC1CCN1CC2CCC2 8d22f95b4477b7402b65108f01d8f2a6 [0,1,0,2,0,0|1,0,0]=4 43656 B12R2.1938 OC[C@@H]1CCN1CC2CCC2 e3ce748c930c06f3b5cf56281489bcc9 [0,1,0,2,0,0|1,0,0]=4 43657 B12R2.1938 OC[C@H]1CCN1CC2CCC2 1cc0a6b0ac09aff8a919ae0c732980f0 [0,1,0,2,0,0|1,0,0]=4 43658 B12R2.2382 C(CC1COC1)OC2COC2 3de6d23bfbc9a3f136e6330fd5182b59 [0,1,0,2,0,0|1,0,0]=4 43659 B12R2.2382 C(CC1COC1)OC2CSC2 cf8d943f5f30604423bcc8c86466277b [0,1,0,2,0,0|1,0,0]=4 43660 B12R2.2382 C(C[C@@H]1CCO1)OC2COC2 131509af4bb0a1531dcc89203e4f5d44 [0,1,0,2,0,0|1,0,0]=4 43661 B12R2.2382 C(C[C@H]1CCO1)OC2COC2 07b2a8cff1a34331b504b7f0e8a0f5b4 [0,1,0,2,0,0|1,0,0]=4 43662 B12R2.2382 C1CC(C1)CCNC2CCC2 6cca0393d6ba63161bc65943841990e1 [0,1,0,2,0,0|1,0,0]=4 43663 B12R2.2382 C1CC(C1)CCOC2CCC2 4ca188b3a1015179ac2023999f6efdc7 [0,1,0,2,0,0|0,0,0]=3 43664 B12R2.2382 C1CC(C1)CCOC2COC2 707ad7466ec8e3160d6443ec981e0e50 [0,1,0,2,0,0|1,0,0]=4 43665 B12R2.2382 C1CC(C1)CCOC2CSC2 bb7a6660ae298c02b9313d0e6d4c2549 [0,1,0,2,0,0|1,0,0]=4 43666 B12R2.2382 C1CC(C1)CNCC2CCC2 8353af8914cc1ad3af954fdffa06a702 [0,1,0,2,0,0|1,0,0]=4 43667 B12R2.2382 C1CC(C1)CNCC2CCO2 02a25a075c2cf0d1291a7e56a3a17466 [0,1,0,2,0,0|1,0,0]=4 43668 B12R2.2382 C1CC(C1)CNCC2COC2 d37e2ba14175122b57a4579c9c70efe1 [0,1,0,2,0,0|1,0,0]=4 43669 B12R2.2382 C1CC(C1)CNC[C@@H]2CCO2 2cfdb0b027cc6b06f89d39dc414858f3 [0,1,0,2,0,0|1,0,0]=4 43670 B12R2.2382 C1CC(C1)CNC[C@H]2CCO2 7dd7e0e994114b953b29e1b05a2d0e22 [0,1,0,2,0,0|1,0,0]=4 43671 B12R2.2382 C1CC(C1)COCC2CCC2 2c69613ce4cb3605b5edd13fa9d0a696 [0,1,0,2,0,0|0,0,0]=3 43672 B12R2.2382 C1CC(C1)COCC2CCO2 f6315edff5d963c12c81dd30e662f21b [0,1,0,2,0,0|0,0,0]=3 43673 B12R2.2382 C1CC(C1)COCC2COC2 1071609a3908258eefbdefd6f5fc5d06 [0,1,0,2,0,0|0,0,0]=3 43674 B12R2.2382 C1CC(C1)COCC2CSC2 3dd098e6819371a33eec959bbc5a9134 [0,1,0,2,0,0|0,0,0]=3 43675 B12R2.2382 C1CC(C1)COC[C@@H]2CCO2 4476ae7439702dd47df564a68e7e3660 [0,1,0,2,0,0|0,0,0]=3 43676 B12R2.2382 C1CC(C1)COC[C@H]2CCO2 4359c082abb647a62d8e8ea1b10e41c2 [0,1,0,2,0,0|0,0,0]=3 43677 B12R2.2382 C1CC(C1)NCCC2CCO2 f34664b5b389cfefa4087f8443262c92 [0,1,0,2,0,0|1,0,0]=4 43678 B12R2.2382 C1CC(C1)NCCC2COC2 1aed3a4391d4a257597b57e435b0317a [0,1,0,2,0,0|1,0,0]=4 43679 B12R2.2382 C1CC(C1)NCCN2CCC2 2a2f0037120936b8e2c9d8b2721d9965 [0,1,0,2,0,0|1,0,0]=4 43680 B12R2.2382 C1CC(C1)NCC[C@@H]2CCO2 d20fdb14073a4632beb480b71d121634 [0,1,0,2,0,0|1,0,0]=4 43681 B12R2.2382 C1CC(C1)OCCC2CCO2 8eb7c4381c494d81b53e800234e0ec13 [0,1,0,2,0,0|0,0,0]=3 43682 B12R2.2382 C1CC(C1)OCCC2COC2 e40e234322caba8ad75d9ca131d99386 [0,1,0,2,0,0|0,0,0]=3 43683 B12R2.2382 C1CC(C1)OCCN2CCC2 4f49730479172c831ed4239a679627d1 [0,1,0,2,0,0|0,0,0]=3 43684 B12R2.2382 C1CC(C1)OCC[C@@H]2CCO2 76e1a5b8ce9a3754757b6f6b31817b04 [0,1,0,2,0,0|0,0,0]=3 43685 B12R2.2382 C1CC(C1)OCC[C@H]2CCO2 5530fc42516295123a6d1c88c1bd5e44 [0,1,0,2,0,0|0,0,0]=3 43686 B12R2.2382 C1CC(O1)CCOC2COC2 a20c75fe689ce2c9cf77037051b64b97 [0,1,0,2,0,0|1,0,0]=4 43687 B12R2.2382 C1CC(O1)CCOC2CSC2 799fdf741206e945221bbfab102df05b [0,1,0,2,0,0|1,0,0]=4 43688 B12R2.2382 C1CC(O1)COCC2CCO2 7fcee2e5ed264dd504cd9c8120574d09 [0,1,0,2,0,0|1,0,0]=4 43689 B12R2.2382 C1CC(O1)COCC2COC2 9a324bcd84db0378ef6a858b848f0a71 [0,1,0,2,0,0|1,0,0]=4 43690 B12R2.2382 C1CC(O1)COCC2CSC2 0ba15fd532355307491087004b61a823 [0,1,0,2,0,0|1,0,0]=4 43691 B12R2.2382 C1CC(O1)COC[C@@H]2CCO2 219130fa52c187250200743a30bd658d [0,1,0,2,0,0|1,0,0]=4 43692 B12R2.2382 C1CC(O1)COC[C@H]2CCO2 e4c8be6c9b35b78bfa0697f55816e2de [0,1,0,2,0,0|1,0,0]=4 43693 B12R2.2382 C1CN(C1)CCOC2COC2 70c718f02b820e560cf64a7100ac263f [0,1,0,2,0,0|1,0,0]=4 43694 B12R2.2382 C1C[C@@H](O1)COCC2COC2 a4d436c76a02f647e3ea5a654b0fd918 [0,1,0,2,0,0|1,0,0]=4 43695 B12R2.2382 C1C[C@@H](O1)COCC2CSC2 83daddaa6eac153e99a301818e2633d7 [0,1,0,2,0,0|1,0,0]=4 43696 B12R2.2382 C1C[C@@H](O1)COC[C@@H]2CCO2 e224fc7d872ba6bdacdf69a09824f22a [0,1,0,2,0,0|1,0,0]=4 43697 B12R2.2382 C1C[C@@H](O1)COC[C@H]2CCO2 9e0bf1535d761168c60c7395b95fd071 [0,1,0,2,0,0|1,0,0]=4 43698 B12R2.2382 C1C[C@H](O1)COCC2COC2 41547b5177db961b338649de14ef9a39 [0,1,0,2,0,0|1,0,0]=4 43699 B12R2.2382 C1C[C@H](O1)COCC2CSC2 d745f9b56aac0103f9d3de7168b619f3 [0,1,0,2,0,0|1,0,0]=4 43700 B12R2.2382 C1C[C@H](O1)COC[C@@H]2CCO2 d197f4b116f674e6803ddb33dcb0e543 [0,1,0,2,0,0|1,0,0]=4 43701 B12R2.2382 C1OCC1COCC2COC2 4b65cec0c01a34beb292f6fd5c2e7277 [0,1,0,2,0,0|1,0,0]=4 43702 B12R2.2382 C1OCC1COCC2CSC2 b58978d4eae048965b876d6f6a217b99 [0,1,0,2,0,0|1,0,0]=4 43703 B12R2.3807 C1CC(C1)N2CCCOCC2 95b2379a6afb035c0f2dcfa2d5c0f3df [0,1,0,2,0,0|1,0,0]=4 43704 B12R2.3807 C1CCCC(CC1)N2CCC2 097a97e2e7ee688cb5b84855daaa9089 [0,1,0,2,0,0|1,0,0]=4 43705 B12R2.3807 C1CCCN(CC1)C2CCC2 0688e2c0253e3c4986fd0870d116c7d9 [0,1,0,2,0,0|1,0,0]=4 43706 B12R2.285 CCCCN1CC2CCC2C1 30f8635fb18795b937a064b860bfc21b [0,1,0,2,0,0|1,0,0]=4 43707 B12R2.294 CC1CCN(CC1)CC2CC2 a9e797ba3895a1a341702b22ee5dbae0 [0,1,0,2,0,0|1,0,0]=4 43708 B12R2.294 ClC1CCN(CC1)CC2CC2 217dd7a717dba064529de438071e5add [0,1,0,2,0,0|1,0,0]=4 43709 B12R2.294 FC1CCN(CC1)CC2CC2 d38a2f6ae328abef449f3d88ceb78374 [0,1,0,2,0,0|1,0,0]=4 43710 B12R2.294 IC1CCN(CC1)CC2CC2 83f467b44b9343694c690144914ac4af [0,1,0,2,0,0|1,0,0]=4 43711 B12R2.294 OC1CCN(CC1)CC2CC2 3a118fa5b19b8165035be2639caf2e6a [0,1,0,2,0,0|1,0,0]=4 43712 B12R2.2302 CC1CCN(CC1)C2CCC2 d18b457ac73768d270dc7c972f13d891 [0,1,0,2,0,0|1,0,0]=4 43713 B12R2.2302 ClC1CCN(CC1)C2CCC2 539605c2cd6df37475f83853d856d4c8 [0,1,0,2,0,0|1,0,0]=4 43714 B12R2.2302 FC1CCN(CC1)C2CCC2 51f0e4f67d55fe9a0191d328d0237781 [0,1,0,2,0,0|1,0,0]=4 43715 B12R2.2302 IC1CCN(CC1)C2CCC2 e87660ec3b5e75d33087d71f76dfc89f [0,1,0,2,0,0|1,0,0]=4 43716 B12R2.2302 OC1CCN(CC1)C2CCC2 9a8909693c1f72838813640102388a25 [0,1,0,2,0,0|1,0,0]=4 43717 B12R2.34 CCC1CN(C1)C2CCCC2 10f0042ea3a1990cdffef78625e9f7eb [0,1,0,2,0,0|1,0,0]=4 43718 B12R2.1626 CCC(C)CN1C2C1CCC2 8479346fdbc6ad7c86bd9d85c378d8a6 [0,1,0,2,0,0|1,0,0]=4 43719 B12R2.1626 CC[C@@H](C)CN1C2C1CCC2 a6973a7c4932cc839fb0ff032d519e29 [0,1,0,2,0,0|1,0,0]=4 43720 B12R2.1626 CC[C@H](C)CN1C2C1CCC2 c71c17aaf4ea0c0b07b32d6b1516151f [0,1,0,2,0,0|1,0,0]=4 43721 B12R2.2399 BrC1(CC1)COC2CCCC2 18ed7a8255a85a3ffd978069d4a03011 [0,1,0,2,0,0|0,0,0]=3 43722 B12R2.2399 BrC1(CC1)COC2CCOC2 5ab3ea17487b9721d0bbdc4bb52ac60b [0,1,0,2,0,0|1,0,0]=4 43723 B12R2.2399 BrC1(CC1)CO[C@@H]2CCOC2 70d6055a53126dc8f54a5027baed4f60 [0,1,0,2,0,0|1,0,0]=4 43724 B12R2.2399 BrC1(CC1)CO[C@H]2CCOC2 ac65d14e8ab3e1ccabb2984b386bb3ca [0,1,0,2,0,0|1,0,0]=4 43725 B12R2.2399 CC1(CC1)CNC2CCCC2 e4e490226276dccafa0ce6dee7f52a34 [0,1,0,2,0,0|1,0,0]=4 43726 B12R2.2399 CC1(CC1)COC2CCCC2 5769b665ad2ed34aded69b639a9cb411 [0,1,0,2,0,0|0,0,0]=3 43727 B12R2.2399 CC1(CC1)COC2CCCO2 4a0713415516b14d9f5e69cadba60368 [0,1,0,2,0,0|1,0,0]=4 43728 B12R2.2399 CC1(CC1)COC2CCOC2 8254a21263fd9f3d00dd75a2decccccf [0,1,0,2,0,0|1,0,0]=4 43729 B12R2.2399 CC1(CC1)COC2CCSC2 3325a86b9f09d11a81225275cf866f1b [0,1,0,2,0,0|1,0,0]=4 43730 B12R2.2399 CC1(CC1)CO[C@@H]2CCOC2 280a07ebd4fd24d142b45fb0c8ba40f5 [0,1,0,2,0,0|1,0,0]=4 43731 B12R2.2399 CC1(CC1)CO[C@@H]2CCSC2 66d1a713bda759d446ed43a6186ad772 [0,1,0,2,0,0|1,0,0]=4 43732 B12R2.2399 CC1(CC1)CO[C@H]2CCOC2 4bc0ae04859567867b0cc8174e45686e [0,1,0,2,0,0|1,0,0]=4 43733 B12R2.2399 CC1(CC1)CO[C@H]2CCSC2 46834e5beaf3b6008590833445047139 [0,1,0,2,0,0|1,0,0]=4 43734 B12R2.2399 ClC1(CC1)COC2CCCC2 c7fc239abbc7bc527754df8b049f2fe6 [0,1,0,2,0,0|0,0,0]=3 43735 B12R2.2399 ClC1(CC1)COC2CCOC2 b42e1001c90a5e955cf3346d9fcd663e [0,1,0,2,0,0|1,0,0]=4 43736 B12R2.2399 ClC1(CC1)CO[C@@H]2CCOC2 d7a69fe2c945b64c9e8d323e3ddb6211 [0,1,0,2,0,0|1,0,0]=4 43737 B12R2.2399 ClC1(CC1)CO[C@H]2CCOC2 44bcd57534587d5e06370616c3f7b980 [0,1,0,2,0,0|1,0,0]=4 43738 B12R2.2399 FC1(CC1)CNC2CCCC2 77450895fc1f8d88ab891b486cfa6bd4 [0,1,0,2,0,0|1,0,0]=4 43739 B12R2.2399 FC1(CC1)COC2CCCC2 638aefdf0aaa80740c15e6e8da8bfde2 [0,1,0,2,0,0|0,0,0]=3 43740 B12R2.2399 FC1(CC1)COC2CCCO2 ce2350138796663e38f764954b33cd01 [0,1,0,2,0,0|1,0,0]=4 43741 B12R2.2399 FC1(CC1)COC2CCOC2 ac664d888c68e59b944c05d0d812239d [0,1,0,2,0,0|1,0,0]=4 43742 B12R2.2399 FC1(CC1)COC2CCSC2 c19896a4f85f93e1709ea6211fa754e9 [0,1,0,2,0,0|1,0,0]=4 43743 B12R2.2399 FC1(CC1)CO[C@@H]2CCOC2 e2f18171639f4d1c6db13d107bd88dcc [0,1,0,2,0,0|1,0,0]=4 43744 B12R2.2399 FC1(CC1)CO[C@@H]2CCSC2 bf38e712980342eeacbb051f296a90d6 [0,1,0,2,0,0|1,0,0]=4 43745 B12R2.2399 FC1(CC1)CO[C@H]2CCOC2 6cde670856dceda1ff42513907d6dccf [0,1,0,2,0,0|1,0,0]=4 43746 B12R2.2399 FC1(CC1)CO[C@H]2CCSC2 bcd893bc81101cfd428a1545a316a868 [0,1,0,2,0,0|1,0,0]=4 43747 B12R2.2399 OC1(CC1)CNC2CCCC2 ce6120a433726919264cc988c5598b59 [0,1,0,2,0,0|1,0,0]=4 43748 B12R2.94 CC1(CC1)NC2CCCCO2 3ff3ddc5b334764409d3709a8fce0c26 [0,1,0,2,0,0|1,0,0]=4 43749 B12R2.1619 CCC(C)CN1CC2CC2C1 b5ec781b8b5c9de974e078a5f0d946bc [0,1,0,2,0,0|1,0,0]=4 43750 B12R2.1619 CCC(O)CN1CC2CC2C1 f3fafb5ccccf721318d0ca308cc7c094 [0,1,0,2,0,0|1,0,0]=4 43751 B12R2.1619 CC[C@@H](C)CN1CC2CC2C1 1be51c49838df339c3807ff81f6b00e1 [0,1,0,2,0,0|1,0,0]=4 43752 B12R2.1619 CC[C@H](C)CN1CC2CC2C1 a4cf04cbd3defac1c0549d7fee24e3b2 [0,1,0,2,0,0|1,0,0]=4 43753 B12R2.4322 CCC(C)CN1CCC2C1C2 4c88bbba5689a0ed458a9c3fa659297f [0,1,0,2,0,0|1,0,0]=4 43754 B12R2.4322 CCC(O)CN1CCC2C1C2 d0aa93657cbffb2be6ba2e8ad06c3706 [0,1,0,2,0,0|1,0,0]=4 43755 B12R2.4322 CC[C@@H](C)CN1CCC2C1C2 75c911659c60f0503823df9dca2e2515 [0,1,0,2,0,0|1,0,0]=4 43756 B12R2.4322 CC[C@H](C)CN1CCC2C1C2 60bb14bc7c20fc2ae2228c58adb72efe [0,1,0,2,0,0|1,0,0]=4 43757 B12R2.3922 CC1C(CCN1CC2CC2)O 832cba9241a029a44c74bec41c21580b [0,1,0,2,0,0|1,0,0]=4 43758 B12R2.3922 C[C@@H]1[C@@H](CCN1CC2CC2)O dac2235f219cd415905bd9cea5b688da [0,1,0,2,0,0|1,0,0]=4 43759 B12R2.3922 C[C@H]1[C@H](CCN1CC2CC2)O d96816314cb8c50e52e7d315e9405a42 [0,1,0,2,0,0|1,0,0]=4 43760 B12R2.2093 CCC1CCN(C1)CC2CC2 9b9c74bae4d767812376a6e1a145add4 [0,1,0,2,0,0|1,0,0]=4 43761 B12R2.2094 CCC1CCN(C1)C2CCC2 0f5890e313104066ebce11914144f2f3 [0,1,0,2,0,0|1,0,0]=4 43762 B12R2.5146 CCCCN1CCC2(C1)CC2 6f86757b7738342ec0633aa9344f218d [0,1,0,2,0,0|1,0,0]=4 43763 B12R2.119 CC1OCC1OCC2(CC2)C 1415eb7cf0dad5d0e7c32aea8ffbf3d8 [0,1,0,2,0,0|1,0,0]=4 43764 B12R2.119 CC1OCC1OCC2(CC2)F 1effb1d29c9301f9e60487e9152e0eae [0,1,0,2,0,0|1,0,0]=4 43765 B12R2.119 C[C@@H]1CC[C@@H]1NCC2(CC2)C 5632ebd91371b03762afbe8cd8fe649b [0,1,0,2,0,0|1,0,0]=4 43766 B12R2.119 C[C@@H]1CC[C@@H]1NCC2(CC2)F b11b4416da4b27389c279a69b0ea5222 [0,1,0,2,0,0|1,0,0]=4 43767 B12R2.119 C[C@@H]1CC[C@H]1NCC2(CC2)C 053222e75ba1ae4ca05a7f66ae681403 [0,1,0,2,0,0|1,0,0]=4 43768 B12R2.119 C[C@@H]1CC[C@H]1NCC2(CC2)F 547c3fd5c9b446c7735376582f0a24d8 [0,1,0,2,0,0|1,0,0]=4 43769 B12R2.112 CC1CCCN1CC2(CC2)C 2c64831f656c1d4a6989ae85e7d3810d [0,1,0,2,0,0|1,0,0]=4 43770 B12R2.112 CC1CCCN1CC2(CC2)F e0c30d3d049757a438c3b39321f47734 [0,1,0,2,0,0|1,0,0]=4 43771 B12R2.112 C[C@@H]1CCCN1CC2(CC2)C 88d863960d3b7a146608fb136fb9315c [0,1,0,2,0,0|1,0,0]=4 43772 B12R2.112 C[C@@H]1CCCN1CC2(CC2)F 7cb490e439db8e7efcd12068058169c1 [0,1,0,2,0,0|1,0,0]=4 43773 B12R2.112 C[C@H]1CCCN1CC2(CC2)C 8700566b013b8f7e784e84b4b21860a0 [0,1,0,2,0,0|1,0,0]=4 43774 B12R2.112 C[C@H]1CCCN1CC2(CC2)F 24f2bb1fa79848ce6eafad66f43a5d7d [0,1,0,2,0,0|1,0,0]=4 43775 B12R2.1617 CCC(C)CN1CC2CC1C2 d05ec480312c01d6b4847ea58e25ddba [0,1,0,2,0,0|1,0,0]=4 43776 B12R2.1617 CCC(O)CN1CC2CC1C2 a2e52017027923b467e7c32d9a599e94 [0,1,0,2,0,0|1,0,0]=4 43777 B12R2.1617 CC[C@@H](C)CN1CC2CC1C2 b2c63b18ebfe1c2c395d005cff2c44ca [0,1,0,2,0,0|1,0,0]=4 43778 B12R2.1617 CC[C@H](C)CN1CC2CC1C2 d7fd86e78e031a078c0a19bcc1197416 [0,1,0,2,0,0|1,0,0]=4 43779 B12R2.224 CC1(CC1)COC[C@@H]2C[C@@H]2F efdbb255cd52b882945f4d61322670fc [0,1,0,2,0,0|1,0,0]=4 43780 B12R2.224 CC1(CC1)COC[C@@H]2C[C@H]2F 11aac80d02433f216fb0dcc28987c8fb [0,1,0,2,0,0|1,0,0]=4 43781 B12R2.224 CC1(CC1)COC[C@H]2C[C@@H]2F b53e2f96d2c8a34206c332cc9c00148c [0,1,0,2,0,0|1,0,0]=4 43782 B12R2.224 CC1(CC1)COC[C@H]2C[C@H]2F de908e6f26d7a7df819c1ee1d7720238 [0,1,0,2,0,0|1,0,0]=4 43783 B12R2.224 CC1CC1COCC2(CC2)C 20d5a0a2ddad4f827df971159dea1ca5 [0,1,0,2,0,0|0,0,0]=3 43784 B12R2.224 CC1CC1COCC2(CC2)F 0c82fb9b15f03954ec11c63ea0a64a14 [0,1,0,2,0,0|0,0,0]=3 43785 B12R2.224 C[C@@H]1C[C@H]1COCC2(CC2)C 65e08c7c0494c63210d7683e084e0f76 [0,1,0,2,0,0|0,0,0]=3 43786 B12R2.224 C[C@@H]1C[C@H]1COCC2(CC2)F 325b37cb601db4df01dfc9cdb6ffca63 [0,1,0,2,0,0|0,0,0]=3 43787 B12R2.224 C[C@H]1C[C@@H]1COCC2(CC2)C bdd0a4c30de7321a7afd4b5c9053eaa8 [0,1,0,2,0,0|0,0,0]=3 43788 B12R2.224 C[C@H]1C[C@@H]1COCC2(CC2)F 124684c0499ed176fb10a41a9a6a07fb [0,1,0,2,0,0|0,0,0]=3 43789 B12R2.224 C[C@H]1C[C@H]1COCC2(CC2)C e7cf1655bfdce53a04cb49d4e4433a7d [0,1,0,2,0,0|0,0,0]=3 43790 B12R2.224 C[C@H]1C[C@H]1COCC2(CC2)F 120991898b88f124dcc2ee2a7ba26ffa [0,1,0,2,0,0|0,0,0]=3 43791 B12R2.224 F[C@@H]1C[C@@H]1COCC2(CC2)F 9e92a04b291dfdf992831305eee9533c [0,1,0,2,0,0|1,0,0]=4 43792 B12R2.224 F[C@@H]1C[C@H]1COCC2(CC2)F b5b3624f0e1119acc90581247a5e32c9 [0,1,0,2,0,0|1,0,0]=4 43793 B12R2.224 F[C@H]1C[C@@H]1COCC2(CC2)F 5a942386afcbc8455f7116f1a9b31b6a [0,1,0,2,0,0|1,0,0]=4 43794 B12R2.224 F[C@H]1C[C@H]1COCC2(CC2)F f3f2548e3c63901f4af21fdb3addadb0 [0,1,0,2,0,0|1,0,0]=4 43795 B12R2.1922 CCC1CN(C1)CC2CCC2 0948c3639c4d043d2fcdb8f7248c430b [0,1,0,2,0,0|1,0,0]=4 43796 B12R2.1922 CCN1CC(C1)OC2CCC2 2410bc33474b1fdee36a040e9ecfe1ed [0,1,0,2,0,0|1,0,0]=4 43797 B12R2.1922 COC1CC(C1)OC2CCC2 b2efc396b43e0942949861d20421fa92 [0,1,0,2,0,0|1,0,0]=4 43798 B12R2.1922 CO[C@H]1C[C@@H](C1)OC2CCC2 07616cf061df285142a05a61525a129c [0,1,0,2,0,0|1,0,0]=4 43799 B12R2.1922 CO[C@H]1C[C@H](C1)OC2CCC2 fa6f0a9c5263e5829421d1733306cb3e [0,1,0,2,0,0|1,0,0]=4 43800 B12R2.1922 FC[C@H]1C[C@H](C1)OC2CCC2 ed2c76a3b5eec752fb60d581b1c13355 [0,1,0,2,0,0|1,0,0]=4 43801 B12R2.5222 BrC1(CC1)COCC2CCC2 b9966881269c64d985a3c9ccf375ced1 [0,1,0,2,0,0|0,0,0]=3 43802 B12R2.5222 BrC1(CC1)COCC2CCO2 0f6098dad5a8a85774f1ea84b038de07 [0,1,0,2,0,0|1,0,0]=4 43803 B12R2.5222 BrC1(CC1)COCC2COC2 27329462414a55188bf4184d7a890532 [0,1,0,2,0,0|1,0,0]=4 43804 B12R2.5222 BrC1(CC1)COC[C@@H]2CCO2 a5c9e42ed7158c9260950c3ee32a539d [0,1,0,2,0,0|1,0,0]=4 43805 B12R2.5222 BrC1(CC1)COC[C@H]2CCO2 6d571ea1da4c15d497a5a0ec83dbc625 [0,1,0,2,0,0|1,0,0]=4 43806 B12R2.5222 CC1(CC1)CCOC2CCC2 fe38c0c419a6d41c734970590583d28f [0,1,0,2,0,0|0,0,0]=3 43807 B12R2.5222 CC1(CC1)CNCC2CCC2 96d341320977a02b4a33a31a6a5d0786 [0,1,0,2,0,0|1,0,0]=4 43808 B12R2.5222 CC1(CC1)COCC2CCC2 2c4cf5cfda64b3e6097d59841d39185d [0,1,0,2,0,0|0,0,0]=3 43809 B12R2.5222 CC1(CC1)COCC2CCO2 eac405d9fc38adf0149094df72775803 [0,1,0,2,0,0|1,0,0]=4 43810 B12R2.5222 CC1(CC1)COCC2COC2 7731a9c3678d491ccc25576020cf063d [0,1,0,2,0,0|1,0,0]=4 43811 B12R2.5222 CC1(CC1)COCC2CSC2 e9db4b19bc2bab483703c8982b2c574b [0,1,0,2,0,0|1,0,0]=4 43812 B12R2.5222 CC1(CC1)COC[C@@H]2CCO2 9004e5d2808d37ea0ee26df5f9e2e13d [0,1,0,2,0,0|1,0,0]=4 43813 B12R2.5222 CC1(CC1)COC[C@H]2CCO2 2bf933c39476c5a76e4f23a92461c5c6 [0,1,0,2,0,0|1,0,0]=4 43814 B12R2.5222 ClC1(CC1)COCC2CCC2 26e3c3e3b0b2a43fcad972ad899e5658 [0,1,0,2,0,0|0,0,0]=3 43815 B12R2.5222 ClC1(CC1)COCC2CCO2 e77319fe8c0147256f4d4d5c8357d00e [0,1,0,2,0,0|1,0,0]=4 43816 B12R2.5222 ClC1(CC1)COCC2COC2 674f6a38bba9d5a1262034c366a9bf33 [0,1,0,2,0,0|1,0,0]=4 43817 B12R2.5222 ClC1(CC1)COC[C@@H]2CCO2 69f8ef2046bdbd2bd8c5a233b3f269f9 [0,1,0,2,0,0|1,0,0]=4 43818 B12R2.5222 ClC1(CC1)COC[C@H]2CCO2 dcf25396b3102664e66a70ad944c5653 [0,1,0,2,0,0|1,0,0]=4 43819 B12R2.5222 FC1(CC1)CNCC2CCC2 5ea428d118f583537eabc4f1c2a20fd3 [0,1,0,2,0,0|1,0,0]=4 43820 B12R2.5222 FC1(CC1)COCC2CCC2 ecdfc40d29d3294900acb3641543b286 [0,1,0,2,0,0|0,0,0]=3 43821 B12R2.5222 FC1(CC1)COCC2CCO2 2829639362c24c7e103b2da30067dbef [0,1,0,2,0,0|1,0,0]=4 43822 B12R2.5222 FC1(CC1)COCC2COC2 d70909fd5e38b50fc822d46023709b4a [0,1,0,2,0,0|1,0,0]=4 43823 B12R2.5222 FC1(CC1)COCC2CSC2 cf7c806ed4d44b312a628291a8d867f6 [0,1,0,2,0,0|1,0,0]=4 43824 B12R2.5222 FC1(CC1)COC[C@@H]2CCO2 0461abb3444d66038f3b7d3cb75c5f2e [0,1,0,2,0,0|1,0,0]=4 43825 B12R2.5222 FC1(CC1)COC[C@H]2CCO2 1832773068d85e3afea607b0535653d3 [0,1,0,2,0,0|1,0,0]=4 43826 B12R2.5222 OC1(CC1)CCNC2CCC2 ac8e0c4db3a459c021f4accdc94d3b8a [0,1,0,2,0,0|1,0,0]=4 43827 B12R2.5222 OC1(CC1)CNCC2CCC2 ce444f726d61a04ad028c01bf635851e [0,1,0,2,0,0|1,0,0]=4 43828 B12R2.1919 CCC1CN(C1)CCC2CC2 d0706de92c638cf233d5f5ceefd5a7c4 [0,1,0,2,0,0|1,0,0]=4 43829 B12R2.1919 CCN1CC(C1)OCC2CC2 6ca889292ea05c5e7972d24b476102a6 [0,1,0,2,0,0|1,0,0]=4 43830 B12R2.1919 COC1CC(C1)OCC2CC2 380655b8731d61bdfdfe366d2cd4d3a0 [0,1,0,2,0,0|1,0,0]=4 43831 B12R2.1919 CO[C@H]1C[C@@H](C1)OCC2CC2 d1b8e5cde1f8af962c5838ccba27daa3 [0,1,0,2,0,0|1,0,0]=4 43832 B12R2.1919 CO[C@H]1C[C@H](C1)OCC2CC2 1b5ef197023038d61862021298165e68 [0,1,0,2,0,0|1,0,0]=4 43833 B12R2.1919 FC[C@H]1C[C@H](C1)OCC2CC2 4985942b85373b5e92bcf1862acc61e4 [0,1,0,2,0,0|1,0,0]=4 43834 B12R2.5218 BrC1(CC1)COCCC2CC2 57b5b054cda73968e0fa1c0e6f85e4df [0,1,0,2,0,0|0,0,0]=3 43835 B12R2.5218 CC1(CC1)CCOCC2CC2 9b15301c65027346fb378792d4ef307a [0,1,0,2,0,0|0,0,0]=3 43836 B12R2.5218 CC1(CC1)CNCCC2CC2 831665d54f40c267d8b1dd4541290d76 [0,1,0,2,0,0|1,0,0]=4 43837 B12R2.5218 CC1(CC1)COCCC2CC2 938d9c43f068117c2aa3fdb179fb0bef [0,1,0,2,0,0|0,0,0]=3 43838 B12R2.5218 CC1(CC1)COCCN2CC2 6a630f767ab597006355f58c8a213d25 [0,1,0,2,0,0|1,0,0]=4 43839 B12R2.5218 ClC1(CC1)COCCC2CC2 d0ce30389fae2c10f2bae54ef1741825 [0,1,0,2,0,0|0,0,0]=3 43840 B12R2.5218 FC1(CC1)CNCCC2CC2 23f0dfa3cb903ca1ff3f70fc60854dec [0,1,0,2,0,0|1,0,0]=4 43841 B12R2.5218 FC1(CC1)COCCC2CC2 2024a05aeb179aef4859e20ce2d8c198 [0,1,0,2,0,0|0,0,0]=3 43842 B12R2.5218 FC1(CC1)COCCN2CC2 1fe13940a6426fef4faac3e314e26334 [0,1,0,2,0,0|1,0,0]=4 43843 B12R2.5218 OC1(CC1)CCNCC2CC2 5350a2850d0e6c4150489bc5e0bf860c [0,1,0,2,0,0|1,0,0]=4 43844 B12R2.5218 OC1(CC1)CNCCC2CC2 38c5a215741ea6c71325b13bcd39f46d [0,1,0,2,0,0|1,0,0]=4 43845 B12R2.323 CCC1CCN1CC2(CC2)C fc3ddf3e954b42dfef0d5b136dea52f2 [0,1,0,2,0,0|1,0,0]=4 43846 B12R2.323 CCC1CCN1CC2(CC2)F 1e4977a3ca3ac6b1c0b600e1549f9bdd [0,1,0,2,0,0|1,0,0]=4 43847 B12R2.4321 CCCCCN1CC2(C1)CC2 29b8d21857151cb7827050e59310c36b [0,1,0,2,0,0|1,0,0]=4 43848 B12R2.4321 CCCCNC1CC2(C1)CC2 0ba8f89ad5f7421f185a37f22975cdf0 [0,1,0,2,0,0|1,0,0]=4 43849 B12R2.4321 CCCCOC1CC2(C1)CC2 09231801331a5ffd39261faa81f3d0ce [0,1,0,2,0,0|0,0,0]=3 43850 B12R2.4321 CCOCOC1CC2(C1)CC2 bcd28b9bb0da1dfadffc55ef0eaeaa69 [0,1,0,2,0,0|1,0,0]=4 43851 B12R2.4321 COCCOC1CC2(C1)CC2 606e9dd29ddcf79a1f2cdd7190c89945 [0,1,0,2,0,0|1,0,0]=4 43852 B12R2.4321 CSCCOC1CC2(C1)CC2 13ba2ea43e8af3b401f78cb4c2e02993 [0,1,0,2,0,0|1,0,0]=4 43853 B12R2.4321 FCCCOC1CC2(C1)CC2 ac6e14a7c5b00fb98530daf4654998de [0,1,0,2,0,0|1,0,0]=4 43854 B12R2.4321 SCCCOC1CC2(C1)CC2 bbf8fb0b5d2a1dd10328eb4ab3ed4871 [0,1,0,2,0,0|1,0,0]=4 43855 B12R2.2074 CN(CC1CC1)C2CCCC2 27e7f9011ca1fd9a01d3f9e62641ce5a [0,1,0,2,0,0|1,0,0]=4 43856 B12R2.3797 CN(C1CCCC1)C2CCC2 7b31fb1745558bd9cef403e33e3d7b08 [0,1,0,2,0,0|1,0,0]=4 43857 B12R2.2326 CC1CCC(N1C2CCC2)C f251efc5b31106902b742f2c61a7388b [0,1,0,2,0,0|1,0,0]=4 43858 B12R2.2326 C[C@@H]1CC[C@@H](N1C2CCC2)C 1854eccb0a2062542bce33c1462a0d45 [0,1,0,2,0,0|1,0,0]=4 43859 B12R2.2326 C[C@@H]1CC[C@H](N1C2CCC2)C 1c39249607e86177f6f34c3734234da1 [0,1,0,2,0,0|1,0,0]=4 43860 B12R2.2326 C[C@H]1CC[C@@H](N1C2CCC2)C daefd663270363604d61dfdd97460034 [0,1,0,2,0,0|1,0,0]=4 43861 B12R2.3281 CC(OC1CCC1)C2CCC2 68cd9192dcc0a71cd708a11f1aa66e8a [0,1,0,2,0,0|0,0,0]=3 43862 B12R2.3281 CC(OC1CCC1)C2COC2 be1b312c3aea1ed32fc96e39ce2c7b2e [0,1,0,2,0,0|1,0,0]=4 43863 B12R2.3281 CC(OC1COC1)C2CCC2 c94209a8f2c674418421859b740432d8 [0,1,0,2,0,0|1,0,0]=4 43864 B12R2.3281 CN(CC1CCC1)C2CCC2 7ce0808d864a7ce422d3bbaa4fe2dfeb [0,1,0,2,0,0|1,0,0]=4 43865 B12R2.3281 C[C@@H](OC1CCC1)C2COC2 b28260c5595175da379e343a55f6391c [0,1,0,2,0,0|1,0,0]=4 43866 B12R2.3281 C[C@H](OC1CCC1)C2CCC2 2eec5a829c32ea7335b1ccacf12ab0ae [0,1,0,2,0,0|0,0,0]=3 43867 B12R2.3281 C[C@H](OC1CCC1)C2COC2 fc2c5c7b7e82bc3cc3fc65b3079163ef [0,1,0,2,0,0|1,0,0]=4 43868 B12R2.3281 C[C@H](OC1COC1)C2CCC2 dc593762a28af534b4f1ff62c571ae16 [0,1,0,2,0,0|1,0,0]=4 43869 B12R2.3283 CC(CC1CC1)OC2CCC2 9a9573f46d9fe7abb2cbf9afd9cab190 [0,1,0,2,0,0|0,0,0]=3 43870 B12R2.3283 CC(CC1CC1)OC2COC2 e31fe9eeb67cf8635c316a170d0558ad [0,1,0,2,0,0|1,0,0]=4 43871 B12R2.3283 CN(CC1CCC1)CC2CC2 568457909016ac25baf6632b3fc3d19e [0,1,0,2,0,0|1,0,0]=4 43872 B12R2.5621 CC1(CCCC1)NC2CCC2 1774c464f8d65d8572f2b7a2272fd417 [0,1,0,2,0,0|1,0,0]=4 43873 B12R2.2033 CC1CCC(N1CC2CC2)C eb6d4b790c2d2b7c832d085bfcad193f [0,1,0,2,0,0|1,0,0]=4 43874 B12R2.2033 C[C@@H]1CC[C@@H](N1CC2CC2)C 5f71e459a7227270affed9984ab40ff2 [0,1,0,2,0,0|1,0,0]=4 43875 B12R2.2033 C[C@@H]1CC[C@H](N1CC2CC2)C 8b343abad043208c826129bb8dd0614c [0,1,0,2,0,0|1,0,0]=4 43876 B12R2.2033 C[C@H]1CC[C@@H](N1CC2CC2)C 4b977707ce2e0248ee08e3396fadc578 [0,1,0,2,0,0|1,0,0]=4 43877 B12R2.3280 CC(OCC1CC1)C2CCC2 b140bb6242cfb2102754e9c3889a10ee [0,1,0,2,0,0|0,0,0]=3 43878 B12R2.3280 CC(OCC1CC1)C2COC2 0d6702e599b42909701db83a4dc2910f [0,1,0,2,0,0|1,0,0]=4 43879 B12R2.3280 CN(CCC1CC1)C2CCC2 d3f036d364a15598b5c0028537bef178 [0,1,0,2,0,0|1,0,0]=4 43880 B12R2.3280 C[C@@H](OCC1CC1)C2COC2 f2ba0efdb3d2407e0658309ba0af97b0 [0,1,0,2,0,0|1,0,0]=4 43881 B12R2.3280 C[C@H](OCC1CC1)C2CCC2 ad7aef467441ec513e40173277b8a614 [0,1,0,2,0,0|0,0,0]=3 43882 B12R2.3280 C[C@H](OCC1CC1)C2COC2 062665ee9a3fde43a2905f455cbaf664 [0,1,0,2,0,0|1,0,0]=4 43883 B12R2.3288 CC(CC1CC1)OCC2CC2 eee53b5bb3487255837dbb42fc78158d [0,1,0,2,0,0|0,0,0]=3 43884 B12R2.3288 CN(CCC1CC1)CC2CC2 8c4f5fa57132cbc487c24d1cd7e28337 [0,1,0,2,0,0|1,0,0]=4 43885 B12R2.5581 CC1(CCCC1)NCC2CC2 5569e0ca38c1d2d59822554e2c90055c [0,1,0,2,0,0|1,0,0]=4 43886 B12R3.288 C1CC1CN2CC3CC3C2 62b4209bb41a87d01409918c8b7a7b85 [0,0,0,3,0,0|1,0,0]=4 43887 B12R3.1655 C1CC(C1)N2CC3CC3C2 73c51b3bc9202d8289cc8deec2fcb7fb [0,0,0,3,0,0|1,0,0]=4 43888 B12R3.291 C1CC1CN2CCC3C2C3 fa0e49115a2e31cf746712c792f5ad40 [0,0,0,3,0,0|1,0,0]=4 43889 B12R3.1630 C1CC2C(C1)N2CC3CC3 d296344e1ef10a35223908f5160c0b10 [0,0,0,3,0,0|1,0,0]=4 43890 B12R3.1638 C1CC1CN2CC3CC2C3 64ba4024c05c2d707c0cf084df0c9237 [0,0,0,3,0,0|1,0,0]=4 43891 B12R3.338 C1CC(C1)N2CC3CC2C3 08109b75f0257844b8ccabf2d08c7e53 [0,0,0,3,0,0|1,0,0]=4