0 B10R0.71 C/C=C/C=C/COCCCC 5be7c2b1277a2751ff6b685b75a09aa7 [0,0,0,0,0,0|2,0,2]=4 1 B10R0.71 CC/C=C/CCOCCCC c8bbe4a116e9837c5acb0bd130d88747 [0,0,0,0,0,0|2,0,2]=4 2 B10R0.71 CC/C=C/CNCCCCC 396ae7fd2aad2d3062225091f1ed8121 [0,0,0,0,0,0|2,0,1]=3 3 B10R0.71 CC/C=C/CNCCCCCl b42c2c34e27433fc2354da416eb9469c [0,0,0,0,0,0|3,0,1]=4 4 B10R0.71 CC/C=C/CNCCCCO 30e9e1d97d59f6d1e084daccf819227a [0,0,0,0,0,0|3,0,1]=4 5 B10R0.71 CC/C=C/CNCCCCS 86ba226c0d5f01c0e9f63d09ca7eb4f3 [0,0,0,0,0,0|3,0,1]=4 6 B10R0.71 CC/C=C/CNCCCOC 89084ae6baa3dcc2210a4bb5cb58fb9e [0,0,0,0,0,0|3,0,1]=4 7 B10R0.71 CC/C=C/CNCCCSC abed8c05e1d5942be751db3d23883d85 [0,0,0,0,0,0|3,0,1]=4 8 B10R0.71 CC/C=C/CNCCOCC 66cc2c7e3860239ceb96479968ac55f1 [0,0,0,0,0,0|3,0,1]=4 9 B10R0.71 CC/C=C/CNCCSCC bd4236c4231b6d05bb3c27618d566cdf [0,0,0,0,0,0|3,0,1]=4 10 B10R0.71 CC/C=C/COCCCCC 4244476ee625bb91d4c75005fa57b26a [0,0,0,0,0,0|2,0,1]=3 11 B10R0.71 CC/C=C/COCCCCF 1dc81d22ea6c57418304e0917a0631f2 [0,0,0,0,0,0|3,0,1]=4 12 B10R0.71 CC/C=C/COCCCCS 07e5800718cf1f4b5355166f60667667 [0,0,0,0,0,0|3,0,1]=4 13 B10R0.71 CC/C=C/COCCCOC da9a60c9a4f386a7d1a509a02b8e1091 [0,0,0,0,0,0|3,0,1]=4 14 B10R0.71 CC/C=C/COCCCSC 554c810278825b7f95800a92c8ae421b [0,0,0,0,0,0|3,0,1]=4 15 B10R0.71 CC/C=C/COCCOCC 9a5afd7f01e126d7e19bfb079674ce6a [0,0,0,0,0,0|3,0,1]=4 16 B10R0.71 CC/C=C/COCCSCC a16cb8768dc153c0d5da120184491196 [0,0,0,0,0,0|3,0,1]=4 17 B10R0.71 CC/C=C\CCCCOCC 6f672bd2ab358cb454803e83d5c0e284 [0,0,0,0,0,0|2,0,2]=4 18 B10R0.71 CC/C=C\CCCOCCC 7fa768d31f02c71335efb28537f1ed87 [0,0,0,0,0,0|2,0,2]=4 19 B10R0.71 CC/C=C\CCNCCCC c4f059f6ebacdc59905230714b6eff68 [0,0,0,0,0,0|2,0,2]=4 20 B10R0.71 CC/C=C\CCOCCCC 8e83903dc8b2dc055f80be84ab4a3d9c [0,0,0,0,0,0|2,0,2]=4 21 B10R0.71 CC/C=C\COCCCCC 273210e5829d96509e829e222979bc8b [0,0,0,0,0,0|2,0,1]=3 22 B10R0.71 CC/C=C\COCCCCF cceb6301c3fc703ee59d20a210d8e3fb [0,0,0,0,0,0|3,0,1]=4 23 B10R0.71 CC/C=C\COCCCOC 2778db8b130f5c046c26bb8e26950712 [0,0,0,0,0,0|3,0,1]=4 24 B10R0.71 CC/C=C\COCCCSC ffcfb2f3c5f9bdd080c465251703b682 [0,0,0,0,0,0|3,0,1]=4 25 B10R0.71 CC/C=C\COCCOCC 1548c7429369ffcb40b777378cae9d6b [0,0,0,0,0,0|3,0,1]=4 26 B10R0.71 CC/C=C\COCCSCC bf420840e62c6002d6099f83c76d210d [0,0,0,0,0,0|3,0,1]=4 27 B10R0.71 CC=CC=CCOCCCC b2db690d4b1d749e1abe5e187adedbf9 [0,0,0,0,0,0|2,0,2]=4 28 B10R0.71 CCC/C=C/C=C/COCC c16cb9f7aa071bb50460ab96748ee9cc [0,0,0,0,0,0|2,0,2]=4 29 B10R0.71 CCC/C=C/CCCOCC 96c575cc0a2c58edec4b18e8b3051827 [0,0,0,0,0,0|2,0,2]=4 30 B10R0.71 CCC/C=C/CNCCCC eb6f385e07ebf81c43b715a8e6898101 [0,0,0,0,0,0|2,0,2]=4 31 B10R0.71 CCC/C=C/COCCCC 5cb7fad967976b46414fd1e0981df754 [0,0,0,0,0,0|2,0,2]=4 32 B10R0.71 CCC/C=C\CCCOCC 1c8765980afe95de3eca026e03130832 [0,0,0,0,0,0|2,0,2]=4 33 B10R0.71 CCC/C=C\CCOCCC affe8f34b74549b94b8274cb3a319479 [0,0,0,0,0,0|2,0,2]=4 34 B10R0.71 CCC/C=C\CNCCCC bec0667c6be34c83c909fc9cd36559c3 [0,0,0,0,0,0|2,0,2]=4 35 B10R0.71 CCC/C=C\COCCCC 12552b98ae2ab17ee7aaf14497e6f771 [0,0,0,0,0,0|2,0,2]=4 36 B10R0.71 CCCC/C=C/CNCCC b5846262769f4576898e24ec596816c8 [0,0,0,0,0,0|2,0,2]=4 37 B10R0.71 CCCC/C=C/CNCCO 0c9c5f17e82cdfeba64c276b8f8e86b1 [0,0,0,0,0,0|1,0,3]=4 38 B10R0.71 CCCC/C=C/COCCC 07c08b56120c97240fcfc821b0cfaf7e [0,0,0,0,0,0|2,0,2]=4 39 B10R0.71 CCCC/C=C\CCOCC c0b86be5a318325f35923a807a0da0e5 [0,0,0,0,0,0|2,0,2]=4 40 B10R0.71 CCCC/C=C\CNCCC 1ebafcf76c30e339500b071d8b77b007 [0,0,0,0,0,0|2,0,2]=4 41 B10R0.71 CCCC/C=C\CNCCO 3f60531e2eaa312eafb4bf5b0403b122 [0,0,0,0,0,0|1,0,3]=4 42 B10R0.71 CCCC/C=C\COCCC cacd342e00bdd06408172e2c8226f9fe [0,0,0,0,0,0|2,0,2]=4 43 B10R0.71 CCCC=C=CCCOCC ecd2330b3e2fc365c563b385894a4c95 [0,0,0,0,0,0|2,0,2]=4 44 B10R0.71 CCCCC/C=C/COCC d869a9967b36862cc7ff5868403bb25d [0,0,0,0,0,0|2,0,1]=3 45 B10R0.71 CCCCC/C=C/COCF 173aafd765549e06cbff3bd6ae6fc78e [0,0,0,0,0,0|2,0,1]=3 46 B10R0.71 CCCCCCCCNCO 62a2dae03ae16e5c5d74011b3e38bc6b [0,0,0,0,0,0|1,0,3]=4 47 B10R0.71 CCCCCCCNCCO b00594b2eda448f3d37260fcc9ae8d77 [0,0,0,0,0,0|1,0,3]=4 48 B10R0.71 CCCCCCNC/C=C\O 6d75b641deaa8953d1d240b2b8f20ca8 [0,0,0,0,0,0|1,0,3]=4 49 B10R0.71 CCCCCCNCCCO 5bc4d9addd0075b9ea454b7e30b2b20c [0,0,0,0,0,0|1,0,3]=4 50 B10R0.71 CCCCCNCC#CCO 23116c6c38a6f4605bbabd713d286c57 [0,0,0,0,0,0|1,0,3]=4 51 B10R0.71 CCCCCNCC=CC#N 6a9a26c19bdd0ee62741d0f4e3257cee [0,0,0,0,0,0|2,0,2]=4 52 B10R0.71 CCCCCNCCCCO 379ab0235e165758d05e13f64b0667e2 [0,0,0,0,0,0|1,0,3]=4 53 B10R0.71 CCCCCOC/C=C/C=O dd701f6f2acb2f0b3775b86bb7a39725 [0,0,0,0,0,0|1,0,3]=4 54 B10R0.71 CCCCCOCC=CC#N 74b69457886f8409891578b422921ba2 [0,0,0,0,0,0|2,0,2]=4 55 B9R0.45 C#CCOC/C=C/C=C/C 6b707d4d4687c92f9c785352309788bf [1,0,0,0,0,0|1,0,2]=4 56 B9R0.45 C#CCOCC=CC=CC 4ffa3cd06f58b958c485c02ed5323cdd [1,0,0,0,0,0|1,0,2]=4 57 B9R0.45 C/C=C/C=C/COCC#N b1545f6f15fbb0f0aa75f6be56544119 [1,0,0,0,0,0|2,0,1]=4 58 B9R0.45 C/C=C/C=C/COCC=O 9ce7a1cfcb81b82cb123e4be46284719 [1,0,0,0,0,0|2,0,1]=4 59 B9R0.45 C/C=C/C=C/COCCC 8f1e48b4facc41411447438079f84a28 [1,0,0,0,0,0|1,0,0]=2 60 B9R0.45 C/C=C/C=C/COCCF 5694049e672fc6f5fad06a25351f412d [1,0,0,0,0,0|2,0,0]=3 61 B9R0.45 C/C=C/C=C/COCCS d3888aade3b067c13950d94387cb125a [1,0,0,0,0,0|2,0,0]=3 62 B9R0.45 C/C=C/C=C/COCOC 5c2dc9c79dbd8663009901e5c7a8b64e [1,0,0,0,0,0|2,0,0]=3 63 B9R0.45 C/C=C/C=C/COCSC 1c4cba468d017b57bf5bd8a750acd582 [1,0,0,0,0,0|2,0,0]=3 64 B9R0.45 C/C=C/CCCOCCC 6078f7ffc27dfa8185f6236738ef681e [1,0,0,0,0,0|1,0,2]=4 65 B9R0.45 C/C=C/CCOCCCC 34807d765a53dafaafda84290da499b4 [1,0,0,0,0,0|1,0,2]=4 66 B9R0.45 C/C=C/CNCCCCC 173af57cfda70fbf416f0d5599bfa036 [1,0,0,0,0,0|1,0,1]=3 67 B9R0.45 C/C=C/CNCCCCCl 403d470282ab81a987b4c495ce3e65b2 [1,0,0,0,0,0|2,0,1]=4 68 B9R0.45 C/C=C/CNCCCCO ed0a9542760a19dc2971710326afc5ed [1,0,0,0,0,0|2,0,1]=4 69 B9R0.45 C/C=C/CNCCCCS 42dce55feee6c9dd8609de6ac4aac20c [1,0,0,0,0,0|2,0,1]=4 70 B9R0.45 C/C=C/CNCCCOC d2a8bcecabfc4119973e200bdda0f952 [1,0,0,0,0,0|2,0,1]=4 71 B9R0.45 C/C=C/CNCCCSC a0c3ea3106200fc97b7a508253b676e7 [1,0,0,0,0,0|2,0,1]=4 72 B9R0.45 C/C=C/CNCCOCC f6b74339a9458a435ce66f977b560c4d [1,0,0,0,0,0|2,0,1]=4 73 B9R0.45 C/C=C/CNCCSCC 95eecb3a403e64e60768b69e1118582b [1,0,0,0,0,0|2,0,1]=4 74 B9R0.45 C/C=C/COCCCCC 802c5cbc78037013e3e1230ad72e88ef [1,0,0,0,0,0|1,0,1]=3 75 B9R0.45 C/C=C/COCCCCF b0a7ff31431d01dbfa0473bc3bacab4f [1,0,0,0,0,0|2,0,1]=4 76 B9R0.45 C/C=C/COCCCCS ead8e557468ab6fca0834520c9a02bff [1,0,0,0,0,0|2,0,1]=4 77 B9R0.45 C/C=C/COCCCOC 5f1bc5bcae94818ab169f2532d800a96 [1,0,0,0,0,0|2,0,1]=4 78 B9R0.45 C/C=C/COCCCSC 3e859da376a456131ea6c3009e2e9528 [1,0,0,0,0,0|2,0,1]=4 79 B9R0.45 C/C=C/COCCOCC 63fd2e31279ac1c3bb1fff8b57fcdcc1 [1,0,0,0,0,0|2,0,1]=4 80 B9R0.45 C/C=C/COCCSCC dfcfe7131818abefbfad7e2a62a434a4 [1,0,0,0,0,0|2,0,1]=4 81 B9R0.45 C/C=C\CCCNCCC bd38004b14a3ffe818d001cefe29aee7 [1,0,0,0,0,0|1,0,2]=4 82 B9R0.45 C/C=C\CCCOCCC 083c73f409535e210af3eb7849dd56ad [1,0,0,0,0,0|1,0,2]=4 83 B9R0.45 C/C=C\CNCCCCC 2ee64f407eb13d42c64dbdca505fc819 [1,0,0,0,0,0|1,0,1]=3 84 B9R0.45 C/C=C\CNCCCCCl d6e4fe895f7ef2b8fd417beea3d06ba1 [1,0,0,0,0,0|2,0,1]=4 85 B9R0.45 C/C=C\CNCCCCO 1d08969d68ccbef78e75866e633febcf [1,0,0,0,0,0|2,0,1]=4 86 B9R0.45 C/C=C\CNCCCCS ee4c8a80fc61b5dece65cfcc4ca86e95 [1,0,0,0,0,0|2,0,1]=4 87 B9R0.45 C/C=C\CNCCCOC 9d59f702f547863e47dcef2fd64f1076 [1,0,0,0,0,0|2,0,1]=4 88 B9R0.45 C/C=C\CNCCCSC cc9fe3e4ecf87d5e0af0a89dd0b9be85 [1,0,0,0,0,0|2,0,1]=4 89 B9R0.45 C/C=C\CNCCOCC ba717dd4ff72ae30428deaceceb8e900 [1,0,0,0,0,0|2,0,1]=4 90 B9R0.45 C/C=C\CNCCSCC 2344b094cedbab19eb8690e73e8bd09c [1,0,0,0,0,0|2,0,1]=4 91 B9R0.45 C/C=C\COCCCCC 49d9ba2c76d4226b734a25af963b3a40 [1,0,0,0,0,0|1,0,1]=3 92 B9R0.45 C/C=C\COCCCCF 4a23eeff00f906196af3c2b6cb55a437 [1,0,0,0,0,0|2,0,1]=4 93 B9R0.45 C/C=C\COCCCCS 4dc475746e1fe6ee2835b6bd42d9f2cf [1,0,0,0,0,0|2,0,1]=4 94 B9R0.45 C/C=C\COCCCOC 70d17fbec46f317997436441f1a708dd [1,0,0,0,0,0|2,0,1]=4 95 B9R0.45 C/C=C\COCCCSC 0b7bc762f4b85e8dd03675e638fdc3a7 [1,0,0,0,0,0|2,0,1]=4 96 B9R0.45 C/C=C\COCCOCC f9def2c1c1305f202dbf7f1c0e571fc4 [1,0,0,0,0,0|2,0,1]=4 97 B9R0.45 C/C=C\COCCSCC 6029c7fe7770a1e49d0d0365a70777a3 [1,0,0,0,0,0|2,0,1]=4 98 B9R0.45 C=C/C=C/CCNCCC 83f5e14c911827042616181b3195dbb3 [1,0,0,0,0,0|1,0,2]=4 99 B9R0.45 C=CCOC/C=C/C=C/C a435f57a73ef577f5ed2e740e6a6725c [1,0,0,0,0,0|1,0,2]=4 100 B9R0.45 C=CCOCC=CC=CC ed9ec58cb60da86b08f4a36994abda20 [1,0,0,0,0,0|1,0,2]=4 101 B9R0.45 CC/C=C/CCOCCC 0a76c2aa4cb5309f57046e961567e1f0 [1,0,0,0,0,0|1,0,2]=4 102 B9R0.45 CC/C=C/CNCCCC 205e3a3cf2dfbd78bc9d1c77318f250d [1,0,0,0,0,0|1,0,2]=4 103 B9R0.45 CC/C=C/COCCCC 9dcd55c6f51e3b003595f546e655282b [1,0,0,0,0,0|1,0,2]=4 104 B9R0.45 CC/C=C\CCCOCC f3a75a504e13faa2cf8e35adf4ed3e3b [1,0,0,0,0,0|1,0,2]=4 105 B9R0.45 CC/C=C\CCNCCC 3bbbe00683e3d998587775bf41dd95d1 [1,0,0,0,0,0|1,0,2]=4 106 B9R0.45 CC/C=C\CCOCCC 5fdb5a65a47740420a9d274005a3115f [1,0,0,0,0,0|1,0,2]=4 107 B9R0.45 CC/C=C\COCCCC 02179af6b133216a2e2f2900dac6b807 [1,0,0,0,0,0|1,0,2]=4 108 B9R0.45 CC=C=CCCOCCC c98648b64a6bd61fce8033f3515764f0 [1,0,0,0,0,0|1,0,2]=4 109 B9R0.45 CC=CC#CCCOCC e3f2a44d84f139e37259da7cc09de454 [1,0,0,0,0,0|1,0,2]=4 110 B9R0.45 CC=CC=CCOCC#N be1f8f1049afec3db58029ef6e28501b [1,0,0,0,0,0|2,0,1]=4 111 B9R0.45 CC=CC=CCOCC=O fe812fc03d53c36dcf8f74e5ba292573 [1,0,0,0,0,0|2,0,1]=4 112 B9R0.45 CC=CC=CCOCCC 56450f7f936a8924869fea1d2e9622e7 [1,0,0,0,0,0|1,0,0]=2 113 B9R0.45 CC=CC=CCOCCF cf003ae42f274a2a51abc4d55a3d9ad5 [1,0,0,0,0,0|2,0,0]=3 114 B9R0.45 CC=CC=CCOCCS fd2bebd1bde5b1550f8db823e1699724 [1,0,0,0,0,0|2,0,0]=3 115 B9R0.45 CC=CC=CCOCOC 2596b7da8bf6acd45fbe82fe6390dd54 [1,0,0,0,0,0|2,0,0]=3 116 B9R0.45 CC=CC=CCOCSC 7dc62b0194640cc768d7705555554abe [1,0,0,0,0,0|2,0,0]=3 117 B9R0.45 CC=CCCCOCCC 544004ad9efa2af2fea80f1c7a474136 [1,0,0,0,0,0|1,0,2]=4 118 B9R0.45 CC=CCNCCCCC 4ef4adafa1d8c573d6eb296bc442117e [1,0,0,0,0,0|1,0,1]=3 119 B9R0.45 CC=CCNCCCCF 62744c6021832e453433ea5e1cec96b9 [1,0,0,0,0,0|2,0,1]=4 120 B9R0.45 CC=CCNCCCCO b6b45149b09015d2bafd23ae2a68f9c1 [1,0,0,0,0,0|2,0,1]=4 121 B9R0.45 CC=CCNCCCOC b51c625de33f835a1cb45133d506e071 [1,0,0,0,0,0|2,0,1]=4 122 B9R0.45 CC=CCNCCCSC 1f53d026b2687eb5d595941ef6929c04 [1,0,0,0,0,0|2,0,1]=4 123 B9R0.45 CC=CCNCCOCC 7f373513c7f9bc55d0ea8511b91de21d [1,0,0,0,0,0|2,0,1]=4 124 B9R0.45 CC=CCNCCSCC 1a215b32363568fc2cf3fa953039a194 [1,0,0,0,0,0|2,0,1]=4 125 B9R0.45 CC=CCOCCCCC 805449d8867d5a337059530a7812a078 [1,0,0,0,0,0|1,0,1]=3 126 B9R0.45 CC=CCOCCCCF 6a8cb9313ca4b7bd38d5b438c4e9236e [1,0,0,0,0,0|2,0,1]=4 127 B9R0.45 CC=CCOCCCOC 0948e1eb74f1a2c9a6b4cce71af0db97 [1,0,0,0,0,0|2,0,1]=4 128 B9R0.45 CC=CCOCCCSC 931be6d2224eec3dcf1624c2b5a2a6e2 [1,0,0,0,0,0|2,0,1]=4 129 B9R0.45 CC=CCOCCOCC 8aaf0b6d05c0e664561b324cae6670b9 [1,0,0,0,0,0|2,0,1]=4 130 B9R0.45 CC=CCOCCSCC 1bfa6bc70dcde019a8187f955a73222b [1,0,0,0,0,0|2,0,1]=4 131 B9R0.45 CCC/C=C/CNCCC 859277d10260fb4868f057b0beb905a9 [1,0,0,0,0,0|1,0,2]=4 132 B9R0.45 CCC/C=C/COCCC e2603f506af8247235a50f3fd3dcc6bb [1,0,0,0,0,0|1,0,2]=4 133 B9R0.45 CCC/C=C\CCOCC 22a9a7febcfe7dc866e40e1f973d5118 [1,0,0,0,0,0|1,0,2]=4 134 B9R0.45 CCC/C=C\CNCCC 7ec0844d7fbfce65ba4c3c1af89a7542 [1,0,0,0,0,0|1,0,2]=4 135 B9R0.45 CCC/C=C\COCCC c19f5c31ee9318be226094f6198923ec [1,0,0,0,0,0|1,0,2]=4 136 B9R0.45 CCCC/C=C/COCC 054a7450f451f94427ddda8cd9685a27 [1,0,0,0,0,0|2,0,1]=4 137 B9R0.45 CCCC/C=C/COCF 57bc10b07f573c8f193a7f880638046b [1,0,0,0,0,0|2,0,1]=4 138 B9R0.45 CCCCCCCNCO 7598d2cec5f82b679ede94b43530bd89 [1,0,0,0,0,0|1,0,2]=4 139 B9R0.45 CCCCCCNCCO 2c640e5cf0d398eb15c3da8e201ff9a9 [1,0,0,0,0,0|1,0,2]=4 140 B9R0.45 CCCCCNC/C=C/Cl dd2b4d6593db8690c89984276577f51f [1,0,0,0,0,0|2,0,1]=4 141 B9R0.45 CCCCCNC/C=C\Cl fb74b9636967ca4beacb07a8f7ddd469 [1,0,0,0,0,0|2,0,1]=4 142 B9R0.45 CCCCCNC/C=C\O a03bd9f596fd925d470752532a1e67bf [1,0,0,0,0,0|1,0,1]=3 143 B9R0.45 CCCCCNCCCO 3cb5b804fc7f29c415be4738c214f571 [1,0,0,0,0,0|1,0,2]=4 144 B9R0.45 CCCCCOC/C=C/Cl 902b3675920ce425dd913260445c6a1b [1,0,0,0,0,0|2,0,1]=4 145 B9R0.45 CCCCCOC/C=C\Cl 3081f394d252ec216de633eb3f90aefe [1,0,0,0,0,0|2,0,1]=4 146 B9R0.45 CCCCCOCC=CCl 1caf48ce8f7b269d545bfce57c62ccdf [1,0,0,0,0,0|2,0,1]=4 147 B9R0.45 CCCCOC/C=C/C=O 2da2f2ec693713191f08b0d2f08d4dd9 [1,0,0,0,0,0|1,0,2]=4 148 B9R0.45 CCOCCNC/C=C\O 0aa78a5fbd95032696d68861b712e14e [1,0,0,0,0,0|2,0,1]=4 149 B9R0.45 CCSCCNC/C=C\O 25741737a09ab9cf25d1e1da49f5fc71 [1,0,0,0,0,0|2,0,1]=4 150 B9R0.45 COCCCNC/C=C\O 7a8902930f1f9f59b8140ba9fba85efe [1,0,0,0,0,0|2,0,1]=4 151 B9R0.45 CSCCCNC/C=C\O e7fdc99181aca5fb372020cfd9c7eca5 [1,0,0,0,0,0|2,0,1]=4 152 B9R0.45 O/C=C\CNCCCCCl 32d99f4bcc2d097dc5f961a7d77eb85e [1,0,0,0,0,0|2,0,1]=4 153 B9R0.45 O/C=C\CNCCCCO 3aa0b00108be3944a3394c12f0569f56 [1,0,0,0,0,0|2,0,1]=4 154 B9R0.45 O/C=C\CNCCCCS e7c825c7fbc5972a6c8f8ade5068f2d0 [1,0,0,0,0,0|2,0,1]=4 155 B11R0.3 C#CCOC/C=C/CCCCC 32ccb1099d6ea064aeacc65413dae6e9 [0,1,0,0,0,0|2,0,1]=4 156 B11R0.3 C/C=C/C=C/COCCCCC 2667a603d2690530aadc1c08dc0a0108 [0,1,0,0,0,0|1,0,2]=4 157 B11R0.3 C=CCOC/C=C/CCCCC 4c5e89652be9b5404fb55a7036bb3996 [0,1,0,0,0,0|2,0,1]=4 158 B11R0.3 CC/C=C/CCOCCCCC b53d7a6c46eb728d1471fa5f092df813 [0,1,0,0,0,0|1,0,2]=4 159 B11R0.3 CC/C=C/CNCCCCCC 4ea6a89a67bd880060b4122692e295c2 [0,1,0,0,0,0|1,0,2]=4 160 B11R0.3 CC/C=C/CNCCCCCCl a505ead9b9085cdca2d3a3f992727599 [0,1,0,0,0,0|2,0,1]=4 161 B11R0.3 CC/C=C/CNCCCCCO 11c74b6eec366a8c158ee3c9d35eee5f [0,1,0,0,0,0|2,0,1]=4 162 B11R0.3 CC/C=C/CNCCCCOC 90e8540c5abae5652417534f34909d2a [0,1,0,0,0,0|2,0,1]=4 163 B11R0.3 CC/C=C/CNCCCCSC f16892310e3b9547746ac40140d79e59 [0,1,0,0,0,0|2,0,1]=4 164 B11R0.3 CC/C=C/CNCCCOCC adf79c7e401b64f245ecd0d5edaa927e [0,1,0,0,0,0|2,0,1]=4 165 B11R0.3 CC/C=C/CNCCOCCC 94f91dd23595886db93579c9fde26409 [0,1,0,0,0,0|2,0,1]=4 166 B11R0.3 CC/C=C/COCCCCCC eb90121bb3484ddc510c42f4817c7d41 [0,1,0,0,0,0|1,0,2]=4 167 B11R0.3 CC/C=C/COCCCCCF 7b75038d11bb46fe8e249d2dcb96fcd6 [0,1,0,0,0,0|2,0,1]=4 168 B11R0.3 CC/C=C/COCCCCOC e7c3d87b782983344570a27572ffbf26 [0,1,0,0,0,0|2,0,1]=4 169 B11R0.3 CC/C=C/COCCCCSC 091663aae70043d65b211f8f597d86e9 [0,1,0,0,0,0|2,0,1]=4 170 B11R0.3 CC/C=C/COCCCOCC 78297c8bc000552630439c9709171cba [0,1,0,0,0,0|2,0,1]=4 171 B11R0.3 CC/C=C/COCCCSCC 15b9fe94e8a49786c10995a9adfdceed [0,1,0,0,0,0|2,0,1]=4 172 B11R0.3 CC/C=C/COCCOCCC 9cc7e8c4d1d9a97715bfc8cbef889868 [0,1,0,0,0,0|2,0,1]=4 173 B11R0.3 CC/C=C/COCCSCCC 95cab5376c5a30e2fc8eb4f66f596d44 [0,1,0,0,0,0|2,0,1]=4 174 B11R0.3 CC/C=C/COCOCCCC 0d636c9ea306623be56f563bf5b5ad56 [0,1,0,0,0,0|2,0,1]=4 175 B11R0.3 CC/C=C\CCCCCOCC 3fcd157868f9d6a02a7d59a5bad0c445 [0,1,0,0,0,0|1,0,2]=4 176 B11R0.3 CC/C=C\CCCCOCCC b91b66aedbd8d3f44f429a8b1d860578 [0,1,0,0,0,0|1,0,2]=4 177 B11R0.3 CC/C=C\CCCOCCCC 4cdaf8803428e2d9f645148af5a0d0b2 [0,1,0,0,0,0|1,0,2]=4 178 B11R0.3 CC/C=C\CCNCCCCC ca3a0d15ea7c79f615890d56cab14290 [0,1,0,0,0,0|1,0,2]=4 179 B11R0.3 CC/C=C\CCOCCCCC 26ad29cfc366b08d786d9b655a0964e4 [0,1,0,0,0,0|1,0,2]=4 180 B11R0.3 CC/C=C\COCCCCCC 9755557f3f5961e4b7217afb6d53fd2f [0,1,0,0,0,0|1,0,2]=4 181 B11R0.3 CC/C=C\COCCCCCF 35cd61b12323056f0401f98311654457 [0,1,0,0,0,0|2,0,1]=4 182 B11R0.3 CC/C=C\COCCCCOC e551e50f44f5d50f7aaa7f9517da79d7 [0,1,0,0,0,0|2,0,1]=4 183 B11R0.3 CC/C=C\COCCCOCC 09a72043339a3aef47e35453f927d988 [0,1,0,0,0,0|2,0,1]=4 184 B11R0.3 CC/C=C\COCCCSCC 1795e1c986d477f0638e7d7e2a0f309e [0,1,0,0,0,0|2,0,1]=4 185 B11R0.3 CC/C=C\COCCOCCC 8399b5ba7d8ae3af7874349b04bbbee4 [0,1,0,0,0,0|2,0,1]=4 186 B11R0.3 CC/C=C\COCOCCCC ecbff20520a997a442bc1e107ec28aeb [0,1,0,0,0,0|2,0,1]=4 187 B11R0.3 CC=CC=CCOCCCCC 0a414855753f5c15a0899ce0a42b5368 [0,1,0,0,0,0|1,0,2]=4 188 B11R0.3 CCC/C=C/C=C/COCCC 6aab57c37d72ee9e32bdc2158cbf1959 [0,1,0,0,0,0|2,0,0]=3 189 B11R0.3 CCC/C=C/C=C/COCCF eeb5c1d92dc4f72e5c31d79d370366ad [0,1,0,0,0,0|3,0,0]=4 190 B11R0.3 CCC/C=C/C=C/COCCS 47af38e9dd25b43f6ecfd6c01212ea4e [0,1,0,0,0,0|3,0,0]=4 191 B11R0.3 CCC/C=C/C=C/COCOC 63be7e28f09532154a00a853dd71acca [0,1,0,0,0,0|3,0,0]=4 192 B11R0.3 CCC/C=C/C=C/COCSC 43f30881790a0ce3f00325c0eea67a02 [0,1,0,0,0,0|3,0,0]=4 193 B11R0.3 CCC/C=C/CCCOCCC dae1775eca5913317c5cd584ee8751c6 [0,1,0,0,0,0|1,0,2]=4 194 B11R0.3 CCC/C=C/CNCCCCC 220ba6cf6d3871bb7347038a1b74977c [0,1,0,0,0,0|1,0,2]=4 195 B11R0.3 CCC/C=C/COCCCCC 376fd1605555eb7afa40e728bdf19f2d [0,1,0,0,0,0|1,0,2]=4 196 B11R0.3 CCC/C=C\CCCOCCC 9d2652818f4292c6bd7658d96bf7fce0 [0,1,0,0,0,0|1,0,2]=4 197 B11R0.3 CCC/C=C\CCOCCCC 9e74787723b6c36b8e5fff0d11977396 [0,1,0,0,0,0|1,0,2]=4 198 B11R0.3 CCC/C=C\CNCCCCC 019a7c473a2da7ebbb424bd7efd3e588 [0,1,0,0,0,0|1,0,2]=4 199 B11R0.3 CCC/C=C\COCCCCC d379d1a8be0c42f6be0ab331a41b2209 [0,1,0,0,0,0|1,0,2]=4 200 B11R0.3 CCC=CCC=CCCOCC 9a13a64b7d3d7370cd56239069c00d81 [0,1,0,0,0,0|2,0,0]=3 201 B11R0.3 CCC=CCC=CCCOCF 63ff9ec635018b6834b8c0c34a0fd90b [0,1,0,0,0,0|3,0,0]=4 202 B11R0.3 CCC=CCCCCCOCC acb4ebc5d4b9da3999d78f72f192ac9b [0,1,0,0,0,0|1,0,2]=4 203 B11R0.3 CCCC/C=C/CNCCCC 45a1595a8cd26e56275e1f00dfa303c5 [0,1,0,0,0,0|1,0,2]=4 204 B11R0.3 CCCC/C=C/COCCCC 82dc9ab35de47f0095fadba26ee4655b [0,1,0,0,0,0|1,0,2]=4 205 B11R0.3 CCCC/C=C\CCOCCC 1a8844975936e052ac905af32c23beeb [0,1,0,0,0,0|1,0,2]=4 206 B11R0.3 CCCC/C=C\CNCCCC 7f1816742bbcb8773089cbe2feaac39f [0,1,0,0,0,0|1,0,2]=4 207 B11R0.3 CCCC/C=C\COCCCC a469df223d2e13d6d1c593a861913433 [0,1,0,0,0,0|1,0,2]=4 208 B11R0.3 CCCC=C=CCCOCCC 33551549ebfa38dbd155b82df28e83f8 [0,1,0,0,0,0|1,0,2]=4 209 B11R0.3 CCCCC/C=C/COCC#N b90446418dfffb6bfcc2989c098c181c [0,1,0,0,0,0|2,0,1]=4 210 B11R0.3 CCCCC/C=C/COCC=O 2558cf6cdbd0d16b04fc977fd006358a [0,1,0,0,0,0|1,0,2]=4 211 B11R0.3 CCCCC/C=C/COCCC 0cc4eeb3dd9ed1acd28a102ef946cd8f [0,1,0,0,0,0|1,0,2]=4 212 B11R0.3 CCCCC/C=C/COCCF 7ef3bac61bc649d596093120b1c9a304 [0,1,0,0,0,0|1,0,2]=4 213 B11R0.3 CCCCC/C=C/COCCS cda0989a0e5aa1a2200c0eadbf2a40c0 [0,1,0,0,0,0|0,1,2]=4 214 B11R0.3 CCCCC/C=C/COCOC 029c9f3bf3910b19534d5f15102c0c00 [0,1,0,0,0,0|1,0,1]=3 215 B11R0.3 CCCCC/C=C/COCSC f824aa6db0b15338145d315e046b3372 [0,1,0,0,0,0|1,1,1]=4 216 B11R0.3 CCCCC/C=C\CCOCC 9bbd94ef19d1e094626d984ac326c15e [0,1,0,0,0,0|1,0,2]=4 217 B11R0.3 CCCCC/C=C\CCOCF f091c725a56b4d5be0c9549783610d2b [0,1,0,0,0,0|1,0,2]=4 218 B11R0.3 CCCCCC/C=C/COCC 1d564dbe762cb9f190a747403312f838 [0,1,0,0,0,0|1,0,2]=4 219 B11R0.3 CCCCCC/C=C/COCF 91ebc248f7b4f728849745f48647afc4 [0,1,0,0,0,0|1,0,2]=4 220 B11R0.3 CCCCCC/C=C\COCC 5a8a881f07f8a5e19b54364067beb581 [0,1,0,0,0,0|1,0,2]=4 221 B11R0.3 CCCCCC/C=C\COCF 487281249c24753e3698304f4c3a6dd8 [0,1,0,0,0,0|1,0,2]=4 222 B11R0.4 CC/C=C/CNCC(O)CCC 53e6479e06b395e406fd3f685b562507 [0,1,0,0,0,0|2,0,1]=4 223 B11R0.4 CC/C=C/COCC(C)CCC 77e69610c42c21f1391283c26c6a31fd [0,1,0,0,0,0|2,0,1]=4 224 B11R0.4 CC/C=C\COCC(C)CCC 4537f8018196cae9997e4f9e29f297a6 [0,1,0,0,0,0|2,0,1]=4 225 B11R0.4 CCCCC/C=C/C(=O)NC#N 332cc024b1f8da94c3ad345d1588b9a0 [0,1,0,0,0,0|2,0,1]=4 226 B11R0.4 CCCCCCNC(=O)CCO c087b3675c7cb5dcfde9fa6dcbdb3e38 [0,1,0,0,0,0|1,0,2]=4 227 B11R0.4 CCCCCNCC(=O)NCO aaf498b21bb4f2353489f1e4167ee52e [0,1,0,0,0,0|2,0,1]=4 228 B11R0.4 CCCNC/C=C/C(=O)OCC 9227ee03ea2d9d1e18a696527b8f47b5 [0,1,0,0,0,0|3,0,0]=4 229 B11R0.4 CCCNCC=CC(=O)OCC efd51b76be9a7133b70c19081424ce13 [0,1,0,0,0,0|3,0,0]=4 230 B11R0.4 CCCOC/C=C/C(=O)OCC eb2db8ead3cadf07a1fb09848b46fde0 [0,1,0,0,0,0|3,0,0]=4 231 B11R0.4 CCCOCC=CC(=O)OCC db7b1613a79a54a86c235feccadf2aff [0,1,0,0,0,0|3,0,0]=4 232 B11R0.4 CCOCC/C=C/C(=O)OCC 6cd123b336b09636d62c7ced1e41006a [0,1,0,0,0,0|3,0,0]=4 233 B11R0.40 C=C(CO)CNCCCCCC 55d23f35995915afb4b436463be1bd8f [0,1,0,0,0,0|1,0,2]=4 234 B11R0.40 CC/C=C/CNCCC(C)CC e08bd51197f77277c9df96b6a9b47eb6 [0,1,0,0,0,0|2,0,1]=4 235 B11R0.40 CC/C=C/COCCC(C)CC c8657a8dedc1141108538ffcbaf60b93 [0,1,0,0,0,0|2,0,1]=4 236 B11R0.40 CC/C=C/COCCC(S)CC 2398d0f459936d50b24d4555d0f3701d [0,1,0,0,0,0|2,0,1]=4 237 B11R0.40 CC/C=C/COCC[C@@H](C)CC 6c9480ce42c2a1a7d94d2e53430561f8 [0,1,0,0,0,0|2,0,1]=4 238 B11R0.40 CC/C=C\COCCC(C)CC 87a94e6c58dec9643bc2437a3affb74d [0,1,0,0,0,0|2,0,1]=4 239 B11R0.40 CCCCCCCNC(=O)CO 649c57dfd5f4fa0f4565341b8aa151e7 [0,1,0,0,0,0|1,0,2]=4 240 B11R0.40 CCCCCCNCC(=O)CO 22481f5647b4924598aea5bd39f61ac5 [0,1,0,0,0,0|1,0,2]=4 241 B11R0.81 C#CCCCNC(=O)/C=C/CO b85c338b16534afedf9f6299f81cf3ee [0,1,0,0,0,0|1,0,2]=4 242 B11R0.81 C#CCCCNC(=O)C=CCO b515b0ea78a1213764ca666ee9156bc5 [0,1,0,0,0,0|1,0,2]=4 243 B11R0.81 C=C/C=C/C(=O)NCCCCC 6e00bb4eccd15303cdadb3826fe27155 [0,1,0,0,0,0|2,0,1]=4 244 B11R0.81 C=C/C=C\C(=O)NCCCCC ff69046eef2fc88efd8ad9cedefb5182 [0,1,0,0,0,0|2,0,1]=4 245 B11R0.81 C=CC=CC(=O)NCCCCC f3829a56cfc09f603668e5f9db569660 [0,1,0,0,0,0|2,0,1]=4 246 B11R0.81 C=CCCCNC(=O)/C=C/CO 9cac77ba6e8990190659f9100081eff4 [0,1,0,0,0,0|1,0,2]=4 247 B11R0.81 C=CCCCNC(=O)C=CCO b41b85339196d2ad2d22915380bda512 [0,1,0,0,0,0|1,0,2]=4 248 B11R0.81 CC/C=C/C(=O)NCCCCC 63095eac04d1c62a52939bfac6587eba [0,1,0,0,0,0|2,0,0]=3 249 B11R0.81 CC/C=C/C(=O)NCCCCCl 530e6aa8efa21a898ca44d10eaec5e97 [0,1,0,0,0,0|3,0,0]=4 250 B11R0.81 CC/C=C/C(=O)NCCCCO 32674d6fe204d7a33bfbc30a2b2f156c [0,1,0,0,0,0|3,0,0]=4 251 B11R0.81 CC/C=C/C(=O)NCCCCS 828d5f77bcf4dac7ca4a5b2f944c19ee [0,1,0,0,0,0|3,0,0]=4 252 B11R0.81 CC/C=C/C(=O)NCCCOC 0b275895b33cc59cdcd06ad7ea886fba [0,1,0,0,0,0|3,0,0]=4 253 B11R0.81 CC/C=C/C(=O)NCCCSC 2e46da48688fc51429e559811104f8a9 [0,1,0,0,0,0|3,0,0]=4 254 B11R0.81 CC/C=C/C(=O)NCCOCC 846144aca1c3a68135ccbb0e2bd0b2c3 [0,1,0,0,0,0|3,0,0]=4 255 B11R0.81 CC/C=C/C(=O)NCCSCC 193d1dd7231bb6d9b2069755722d1d34 [0,1,0,0,0,0|3,0,0]=4 256 B11R0.81 CC/C=C/CNC(C)CCCC 81e86a8b9f48b2cc1219d4de5d459744 [0,1,0,0,0,0|2,0,1]=4 257 B11R0.81 CC/C=C/CN[C@H](C)CCCC f79cdffbb693f716fcf5d93b69b0310b [0,1,0,0,0,0|2,0,1]=4 258 B11R0.81 CC/C=C/COC(C)CCCC 42b37d9860f90ae1395ebb1fa01f0a58 [0,1,0,0,0,0|2,0,1]=4 259 B11R0.81 CC/C=C/CO[C@@H](C)CCCC e4d373f852c3e3656bf4fcd1d8dc87f5 [0,1,0,0,0,0|2,0,1]=4 260 B11R0.81 CC/C=C/CO[C@H](C)CCCC a61448b5c4d7007538aaf40b63254bb0 [0,1,0,0,0,0|2,0,1]=4 261 B11R0.81 CC/C=C\C(=O)NCCCCC 00a2c477e9b53f6a09878b7b0fed634a [0,1,0,0,0,0|2,0,0]=3 262 B11R0.81 CC/C=C\C(=O)NCCCCCl 5dd56b4b36b7de275d65937496c832b8 [0,1,0,0,0,0|3,0,0]=4 263 B11R0.81 CC/C=C\C(=O)NCCCCO 8157c7395f76566640024a7ddccca6b8 [0,1,0,0,0,0|3,0,0]=4 264 B11R0.81 CC/C=C\C(=O)NCCCCS 3a841bf83cc7e8687c328ad2a4fc6814 [0,1,0,0,0,0|3,0,0]=4 265 B11R0.81 CC/C=C\C(=O)NCCCOC 679e5c5b24c9fb639f5f1c18e904ba51 [0,1,0,0,0,0|3,0,0]=4 266 B11R0.81 CC/C=C\C(=O)NCCCSC a86d1a5f6e8b9c9cc39e8cfd8b3d8b43 [0,1,0,0,0,0|3,0,0]=4 267 B11R0.81 CC/C=C\C(=O)NCCOCC 66eeff53ed57f47ab1b5897af98af8ff [0,1,0,0,0,0|3,0,0]=4 268 B11R0.81 CC/C=C\C(=O)NCCSCC a2b4c0e87a160a78f800a267f41e65f3 [0,1,0,0,0,0|3,0,0]=4 269 B11R0.81 CC/C=C\COC(C)CCCC 2c34bb4d4c5cae98da461010746a1e1c [0,1,0,0,0,0|2,0,1]=4 270 B11R0.81 CCC=CC(=O)NCCCCC d5f9dee0e9e7159b1708be5a61788ec4 [0,1,0,0,0,0|2,0,0]=3 271 B11R0.81 CCC=CC(=O)NCCCCCl 0a9cceecaab9a73ff6584d113f1ad04e [0,1,0,0,0,0|3,0,0]=4 272 B11R0.81 CCC=CC(=O)NCCCCO d4282e832d3d40aeca59b6ea2b8a5eed [0,1,0,0,0,0|3,0,0]=4 273 B11R0.81 CCC=CC(=O)NCCCCS 6beabee43f36dc96d746b162517160d3 [0,1,0,0,0,0|3,0,0]=4 274 B11R0.81 CCC=CC(=O)NCCCOC 58773b9f1a81f3a06d132043ad40eba0 [0,1,0,0,0,0|3,0,0]=4 275 B11R0.81 CCC=CC(=O)NCCCSC 5b8b563e415bc37afc3359fb5e4ed5fb [0,1,0,0,0,0|3,0,0]=4 276 B11R0.81 CCC=CC(=O)NCCOCC 650b9f8be20e764fafe537d04ccc4e01 [0,1,0,0,0,0|3,0,0]=4 277 B11R0.81 CCC=CC(=O)NCCSCC ea4efb4673695caa5333f025c99caa05 [0,1,0,0,0,0|3,0,0]=4 278 B11R0.81 CCCC/C=C/C(=O)NCCO 7aa9a542977b61455a5567adbfa839b4 [0,1,0,0,0,0|1,0,2]=4 279 B11R0.81 CCCCC=CC(=O)NCCO 593a54a8efde277bc6083139c5548de3 [0,1,0,0,0,0|1,0,2]=4 280 B11R0.81 CCCCCCC(=O)NCCO f49bad3fe55d361225eacdb6b24aebd1 [0,1,0,0,0,0|1,0,2]=4 281 B11R0.81 CCCCCNC(=O)/C=C/CF 8af28443ae2eb2b2d49b35a6fcd6db19 [0,1,0,0,0,0|2,0,0]=3 282 B11R0.81 CCCCCNC(=O)/C=C/CO a41f5197cf0d690cfca6c7f3174709bc [0,1,0,0,0,0|1,0,0]=2 283 B11R0.81 CCCCCNC(=O)/C=C/OC 7425a12715f801d68b5865f5b994b883 [0,1,0,0,0,0|3,0,0]=4 284 B11R0.81 CCCCCNC(=O)C#CCO 5be1f96cef22942ac5b427cae0590ada [0,1,0,0,0,0|1,0,2]=4 285 B11R0.81 CCCCCNC(=O)C=CC#N 616c863011644aa4a515e5e641a4312b [0,1,0,0,0,0|2,0,1]=4 286 B11R0.81 CCCCCNC(=O)C=CCO 2e84c976f12d11f7b50b54648b6d2afa [0,1,0,0,0,0|1,0,0]=2 287 B11R0.81 CCCCCNC(=O)C=COC b75738bd00a7e9032e8be9cd6d8628f6 [0,1,0,0,0,0|3,0,0]=4 288 B11R0.81 CCCCCNC(=O)NCCO 7bed3c4d3d74ef1f8285ffe585b1af67 [0,1,0,0,0,0|2,0,1]=4 289 B11R0.81 CCCCCNC(=S)NCCO 613b0776b1ca10c38f608d01c95944b9 [0,1,0,0,0,0|2,0,1]=4 290 B11R0.81 CCOCCNC(=O)/C=C/CF 935286a613911532adbba6470b808db5 [0,1,0,0,0,0|3,0,0]=4 291 B11R0.81 CCOCCNC(=O)/C=C/CO 0dedcaf14986212ac65bfe61d5932b9d [0,1,0,0,0,0|2,0,0]=3 292 B11R0.81 CCOCCNC(=O)C=CCO 526f806f6e9fdcc0981b0199f7a87d84 [0,1,0,0,0,0|2,0,0]=3 293 B11R0.81 CCSCCNC(=O)/C=C/CF 5eb9b6eb15b1ee09dcdc083c55fbe3fd [0,1,0,0,0,0|3,0,0]=4 294 B11R0.81 CCSCCNC(=O)/C=C/CO 328bd6095126b22aa4ebf5d73b0e81be [0,1,0,0,0,0|2,0,0]=3 295 B11R0.81 CCSCCNC(=O)C=CCO 769d688a444718ea0744767b7c834f85 [0,1,0,0,0,0|2,0,0]=3 296 B11R0.81 COCCCNC(=O)/C=C/CF ac3ff15676ebafc703391df8ca04e9a6 [0,1,0,0,0,0|3,0,0]=4 297 B11R0.81 COCCCNC(=O)/C=C/CO 507daf86fb73324b2609428a11bd62a9 [0,1,0,0,0,0|2,0,0]=3 298 B11R0.81 COCCCNC(=O)C=CCO 5e4326551d8835c9de39759e1685437f [0,1,0,0,0,0|2,0,0]=3 299 B11R0.81 CSCCCNC(=O)/C=C/CF af07b193cb3f2449adc21f12f1791884 [0,1,0,0,0,0|3,0,0]=4 300 B11R0.81 CSCCCNC(=O)/C=C/CO b0d28f5df14fba10f92f6a61a78b41ee [0,1,0,0,0,0|2,0,0]=3 301 B11R0.81 CSCCCNC(=O)C=CCO 302a1308f087dd830796c4212ca367ab [0,1,0,0,0,0|2,0,0]=3 302 B11R0.81 N#CCCCNC(=O)/C=C/CO daa9cfa09edf4f61b6da9d33e4f47cca [0,1,0,0,0,0|2,0,1]=4 303 B11R0.81 N#CCCCNC(=O)C=CCO c4536f581e78337b64a8d0048f5ba4b9 [0,1,0,0,0,0|2,0,1]=4 304 B11R0.81 O=C(/C=C/CF)NCCCCCl c5630456eb5b4e368362fc696aa37c5f [0,1,0,0,0,0|3,0,0]=4 305 B11R0.81 O=C(/C=C/CF)NCCCCO cf86f87abd48d42dedbdf831e87d49a6 [0,1,0,0,0,0|3,0,0]=4 306 B11R0.81 O=C(/C=C/CF)NCCCCS 4306e18bf25bec8153ead2122231c7c7 [0,1,0,0,0,0|3,0,0]=4 307 B11R0.81 O=C(/C=C/CO)NCCCCCl c9f3e53ecd8ddf720d9f2c75e1209a7f [0,1,0,0,0,0|2,0,0]=3 308 B11R0.81 O=C(/C=C/CO)NCCCCO e0fcff70a087444d499569371502059f [0,1,0,0,0,0|2,0,0]=3 309 B11R0.81 O=C(/C=C/CO)NCCCCS 357c09462bd46a1bad8e008444712da9 [0,1,0,0,0,0|2,0,0]=3 310 B11R0.81 O=C(C=CCO)NCCCCCl f7a86237169488a0594066ff64bc0513 [0,1,0,0,0,0|2,0,0]=3 311 B11R0.81 O=C(C=CCO)NCCCCO 273364dfcb1e85bfb84ea0467927234d [0,1,0,0,0,0|2,0,0]=3 312 B11R0.81 O=C(C=CCO)NCCCCS 79f6038038b60a5ad63eb0ac797eea09 [0,1,0,0,0,0|2,0,0]=3 313 B11R0.140 C/C=C/C=C/C(=O)NCCCC 7a886652e33d103605624db7191b1c42 [0,1,0,0,0,0|2,0,1]=4 314 B11R0.140 CC/C=C/CC(=O)NCCCC f5d19303ca4643ec0b658b5bc9971b9e [0,1,0,0,0,0|2,0,1]=4 315 B11R0.140 CC/C=C/CN(C)CCCCC daae4a22f1436367e66179146cdfdd89 [0,1,0,0,0,0|2,0,1]=4 316 B11R0.140 CC/C=C\CC(=O)NCCCC 11d0e998387eba551162e4eef8a7f350 [0,1,0,0,0,0|2,0,1]=4 317 B11R0.140 CC=CC=CC(=O)NCCCC 00ad07ea2e0420f3ecd32dc6ed13e273 [0,1,0,0,0,0|2,0,1]=4 318 B11R0.140 CCC/C=C/C(=O)NCCCC 80625e1947178f3df8755baf6735f5ae [0,1,0,0,0,0|2,0,1]=4 319 B11R0.140 CCC=CCC(=O)NCCCC 276c36d7376bcaaf663c9582d9b22ece [0,1,0,0,0,0|2,0,1]=4 320 B11R0.140 CCCC=CC(=O)NCCCC 5acc6713e2bf0daf22650fcba518ad75 [0,1,0,0,0,0|2,0,1]=4 321 B11R0.140 CCCCCC(=O)CNCCO c5d05f98699f342415f344c3b79de128 [0,1,0,0,0,0|1,0,2]=4 322 B11R0.140 CCCCCC(=O)NCCCO f8b52b861e5b967b7710b4587a208b00 [0,1,0,0,0,0|1,0,2]=4 323 B11R0.140 CCCCNC(=O)/C=C/OCC fe687fc8c5ccff6550d9001d2ae7d865 [0,1,0,0,0,0|3,0,0]=4 324 B11R0.140 CCCCNC(=O)C=COCC 73490c74e6582964f341c9498226ee09 [0,1,0,0,0,0|3,0,0]=4 325 B11R0.148 CC/C=C/CNCCCC(C)C dd92a520afe2c7227f226d879c8c4223 [0,1,0,0,0,0|2,0,1]=4 326 B11R0.148 CC/C=C/COCCCC(C)C 8d5313ce42fe76520ae4b4f08c512cca [0,1,0,0,0,0|2,0,1]=4 327 B11R0.148 CC/C=C\COCCCC(C)C c74ef8b6d3de5c4612de62973b0cf9b3 [0,1,0,0,0,0|2,0,1]=4 328 B11R0.148 CCCCC/C=C/COC(C)C 202fb39b8f6d6bc927c68e6d7c25ec4b [0,1,0,0,0,0|2,0,1]=4 329 B11R0.148 CCCCCNC/C=C/C(=O)O b8046f0d80c9ff3885cdfa6c42d71162 [0,1,0,0,0,0|1,0,2]=4 330 B11R0.148 CCCCCNC/C=C/C(C)C d7d2cc7b858d16bae64842f05b6b9796 [0,1,0,0,0,0|2,0,1]=4 331 B11R0.148 CCCCCNCC=CC(=O)O 58813a84cba492cefaaec0f7c2af3ed6 [0,1,0,0,0,0|1,0,2]=4 332 B11R0.148 CCCCCOC/C=C/C(=O)O 3d3460a3a6eee12116378f2de4d92d1f [0,1,0,0,0,0|1,0,2]=4 333 B11R0.148 CCCCCOC/C=C/C(C)C afb911daeb4fd0404f914e7e073954e3 [0,1,0,0,0,0|2,0,1]=4 334 B11R0.148 CCCCCOCC=CC(=O)O ac6921bf081433b1f8d6059fbeb527c4 [0,1,0,0,0,0|1,0,2]=4 335 B11R1.4 CC/C=C/CNC1CCCC1 59de48df724d02ca8afb579334e260e1 [0,0,0,1,0,0|2,0,1]=4 336 B11R1.4 CC/C=C/COC1CCCC1 22f1a97617cf69c83dda239e5f114c0f [0,0,0,1,0,0|2,0,1]=4 337 B11R1.4 CC/C=C\COC1CCCC1 091a743790bd53272236b12a8a7729cc [0,0,0,1,0,0|2,0,1]=4 338 B11R1.4 CCCCCNc1cc[nH]n1 db376cb6d60ec1a9d60cefdaded419c8 [0,0,0,1,0,0|3,0,0]=4 339 B11R1.4 CCCCCNc1ccco1 f970cd05169f1dc22a2fc0868aa59ecb [0,0,0,1,0,0|1,0,1]=3 340 B11R1.4 CCCCCNc1cccs1 b90d3a17dbc283de48613a781580a30c [0,0,0,1,0,0|1,1,1]=4 341 B11R1.4 CCCCCNc1ccno1 8f6afcdc2b9aaefcececa096a682bd40 [0,0,0,1,0,0|2,0,0]=3 342 B11R1.4 CCCCCNc1ccns1 a1a013cb44b6ab72f2e54169dc0ac10d [0,0,0,1,0,0|2,1,0]=4 343 B11R1.4 CCCCCNc1ccoc1 873754c10feb0cec44bbaccf311bec49 [0,0,0,1,0,0|3,0,0]=4 344 B11R1.4 CCCCCNc1ccon1 d671983adccc0fc95a3d5df61f1f0ab1 [0,0,0,1,0,0|3,0,0]=4 345 B11R1.4 CCCCCNc1ccsc1 de022f84aa76209e7bcaabaa38bac726 [0,0,0,1,0,0|3,0,0]=4 346 B11R1.4 CCCCCNc1ccsn1 f37f1e8db459e0bbbde0e108bc00eb26 [0,0,0,1,0,0|3,0,0]=4 347 B11R1.4 CCCCCNc1ncco1 2d0badb0f958a9679e2da64f0b39a666 [0,0,0,1,0,0|2,0,1]=4 348 B11R1.4 CCCCCOC1C=CCC1 78fd44d64a16456a5b7d49fce9337d5f [0,0,0,1,0,0|2,0,1]=4 349 B11R1.4 CCCCCOc1ccco1 765a6b19c6da88e1e0ac7cbcc3169645 [0,0,0,1,0,0|1,0,1]=3 350 B11R1.4 CCCCCOc1cccs1 7728517f8bb9acd624edad115aa58ef5 [0,0,0,1,0,0|1,1,1]=4 351 B11R1.4 CCCCCOc1ccn[nH]1 b30f2458d669fa133512e1bb7bc88472 [0,0,0,1,0,0|3,0,0]=4 352 B11R1.4 CCCCCOc1ccsc1 dd49135ea18d372e9a057cf4e9f47384 [0,0,0,1,0,0|3,0,0]=4 353 B11R1.4 CCCCNCc1ccco1 c9dd13c1879595fe1a868b7933bb7fce [0,0,0,1,0,0|1,0,2]=4 354 B11R1.4 CCCCNCc1ccno1 262684878b2e753dee1f03fefbb0ca8d [0,0,0,1,0,0|2,0,1]=4 355 B11R1.4 CCCCOCc1ccco1 b9903212f19458d57de7d6a4cad87304 [0,0,0,1,0,0|1,0,2]=4 356 B11R1.4 CCCCOCc1ccno1 7e24cacd8fbec4788dc07b97168b43c4 [0,0,0,1,0,0|2,0,1]=4 357 B11R1.4 CCCNCCc1ccco1 6b925e785b195733bc9096e5bb1e098f [0,0,0,1,0,0|1,0,2]=4 358 B11R1.4 CCCOCCc1ccco1 7e3a9046d4399a2533dc33c2e64d0238 [0,0,0,1,0,0|1,0,2]=4 359 B11R1.4 CCNCCCc1ccco1 43406731f71a6d17b9e88a0e0d1fd4a9 [0,0,0,1,0,0|1,0,2]=4 360 B11R1.4 CCOCCCc1ccco1 ff0106fb5384705690339b058590e0ea [0,0,0,1,0,0|1,0,2]=4 361 B11R1.4 CCOCCNc1ccco1 edf6bc75ce1ecbe8b2d1371fa0a7c7f7 [0,0,0,1,0,0|2,0,1]=4 362 B11R1.4 CCOCCNc1ccno1 38a685dd04fc2df04c51acf373d48d76 [0,0,0,1,0,0|3,0,0]=4 363 B11R1.4 CCOCCOc1ccco1 6e9586a66d86444d56b340b3cf832d00 [0,0,0,1,0,0|2,0,1]=4 364 B11R1.4 CCSCCNc1ccno1 335289ee6fd75eab05e3a1f76824e0c3 [0,0,0,1,0,0|3,0,0]=4 365 B11R1.4 CCSCCOc1ccco1 66dcfad105f9a9cb50616cc928734ed8 [0,0,0,1,0,0|2,0,1]=4 366 B11R1.4 COCCCNc1ccco1 2698f49049786585ce01cc05e9674da8 [0,0,0,1,0,0|2,0,1]=4 367 B11R1.4 COCCCNc1ccno1 1e99f089c4d86285f9894acab2ffdb19 [0,0,0,1,0,0|3,0,0]=4 368 B11R1.4 COCCCOc1ccco1 fdae3f18325cc419b6230e879537460e [0,0,0,1,0,0|2,0,1]=4 369 B11R1.4 CSCCCNc1ccco1 223703238a745a139187ced906fbfa6e [0,0,0,1,0,0|2,0,1]=4 370 B11R1.4 CSCCCNc1ccno1 4f96b34f03364fbe46d3a86a6cb960fc [0,0,0,1,0,0|3,0,0]=4 371 B11R1.4 CSCCCOc1ccco1 e2133051d839d99bbaa38e4710539e4b [0,0,0,1,0,0|2,0,1]=4 372 B11R1.4 ClCCCCNc1ccco1 4f6047e8053e4ca5b20756d4602d7b57 [0,0,0,1,0,0|2,0,1]=4 373 B11R1.4 ClCCCCNc1ccno1 e0105117abd2b13613fdd1a4ff59e8c8 [0,0,0,1,0,0|3,0,0]=4 374 B11R1.4 FCCCCNc1ccno1 1839faf632d602ce589bc8362e7cf5cf [0,0,0,1,0,0|3,0,0]=4 375 B11R1.4 FCCCCOc1ccco1 3b5c1d18672ef37f9a77a1d4822c80a3 [0,0,0,1,0,0|2,0,1]=4 376 B11R1.4 OCCCCNc1ccco1 30c195c8aa3a91ef01061653326494d0 [0,0,0,1,0,0|2,0,1]=4 377 B11R1.4 OCCCCNc1ccno1 386376e3bec122319b4db830b21fa633 [0,0,0,1,0,0|3,0,0]=4 378 B11R1.4 SCCCCNc1ccco1 c4ffbf8523f3562a735e40e5b446c17e [0,0,0,1,0,0|2,0,1]=4 379 B11R1.18 CCCCN1CC=CC1CO 3b88c923f00005a69ead246ae74e8af0 [0,0,0,1,0,0|1,0,2]=4 380 B11R1.18 CCCNc1ccsc1CO 070da06b32b09baa0566aa685bb97b6e [0,0,0,1,0,0|2,0,1]=4 381 B11R1.18 CCCNc1sccc1CO f8611ae46a8754422a89671673b7e76a [0,0,0,1,0,0|2,0,1]=4 382 B11R1.28 CCCCCN1CC=CCC1 d500fffaf2826f4f41d6075397a993f5 [0,0,0,1,0,0|2,0,1]=4 383 B11R1.28 CCCCNc1ccccc1 178647391839dfbe95aed182d7dc43ba [0,0,0,1,0,0|2,0,1]=4 384 B11R1.28 CCCCNc1ccccn1 91c5e93b79177d6bf2e79f08485f5335 [0,0,0,1,0,0|2,0,1]=4 385 B11R1.28 CCCCNc1cccnc1 b72453a6fd2f6ec63a951a849bd6d4ab [0,0,0,1,0,0|3,0,0]=4 386 B11R1.28 CCCCNc1cccnn1 3dfd51777ba04f9375640c74ab9fa2e6 [0,0,0,1,0,0|3,0,0]=4 387 B11R1.28 CCCCOc1ccccn1 6484ab4f70c598bfd74c056129d64bfe [0,0,0,1,0,0|2,0,1]=4 388 B11R1.28 CCCCOc1cccnc1 5afbbe8f7376fe71bb9dd4caf03cbd91 [0,0,0,1,0,0|3,0,0]=4 389 B11R1.28 CCCNCc1ccccc1 6e74fa6187fccbc3617e9cc264b3e7aa [0,0,0,1,0,0|2,0,1]=4 390 B11R1.28 CCCNCc1ccccn1 80119cb7f5f54b354b4e2a1110975477 [0,0,0,1,0,0|2,0,1]=4 391 B11R1.28 CCCNCc1cccnc1 bc1eb1c5ec13776685acded27d44c636 [0,0,0,1,0,0|3,0,0]=4 392 B11R1.28 CCCNCc1cccnn1 f9771734910ebcad90f8cb14178ca09d [0,0,0,1,0,0|3,0,0]=4 393 B11R1.28 CCCOCC1=CCCCO1 fd0a4208366709896cb1e56da0f533fc [0,0,0,1,0,0|1,0,2]=4 394 B11R1.28 CCCOCc1ccccc1 112c1e14e862b8fbffa225764759b8ec [0,0,0,1,0,0|2,0,1]=4 395 B11R1.28 CCCOCc1ccccn1 a2de9c7a7551b2ca6641b10a888e1203 [0,0,0,1,0,0|2,0,1]=4 396 B11R1.28 CCCOCc1cccnc1 02843d33c5a54d2140670eb60a4dfb7b [0,0,0,1,0,0|3,0,0]=4 397 B11R1.28 CCCOCc1cccnn1 b324e54ae74b0a57b2f9b766e3c0e490 [0,0,0,1,0,0|3,0,0]=4 398 B11R1.28 CCNCCc1ccccc1 a4bcdd097e726e04ab2794cdb42f5f71 [0,0,0,1,0,0|2,0,1]=4 399 B11R1.28 CCNCCc1ccccn1 08ffb64a8c703d8e611cb4b81d73ea48 [0,0,0,1,0,0|2,0,1]=4 400 B11R1.28 CCNCCc1cccnc1 4a3a0c73e4e732e57ab84a312bb6bfb2 [0,0,0,1,0,0|3,0,0]=4 401 B11R1.28 CCOCC=C1CCCCC1 b58dc2a1874fdedaac4eb136a0ecf1fb [0,0,0,1,0,0|2,0,1]=4 402 B11R1.28 CCOCCc1ccccc1 4c8fc52cc53157c0b0cd10959d18f86a [0,0,0,1,0,0|2,0,1]=4 403 B11R1.28 CCOCCc1ccccn1 0d3553a98e2eb283c6e354f56bb7c09d [0,0,0,1,0,0|2,0,1]=4 404 B11R1.28 CCOCCc1cccnc1 fde9743ce24696d5aa5aa82dfaaaf4a7 [0,0,0,1,0,0|3,0,0]=4 405 B11R1.28 FCOCC=C1CCCCC1 2d38dd7aaa10f397f12d6c6ac4199842 [0,0,0,1,0,0|2,0,1]=4 406 B11R1.41 CCNc1ccccc1CO 4035540dd97cd74f8c59f14dfc02b508 [0,0,0,1,0,0|1,0,2]=4 407 B11R1.41 CCNc1ncccc1CO db617cee5148168fe31815bf4dd081c0 [0,0,0,1,0,0|2,0,1]=4 408 B11R1.46 CC/C=C/COCC1CC1C fe1240e00ddd0be80c566da621f404a2 [0,0,0,1,0,0|2,0,1]=4 409 B11R1.46 CC/C=C/COC[C@@H]1C[C@@H]1C c0571d3b9b02af0140d0d58a196552c6 [0,0,0,1,0,0|2,0,1]=4 410 B11R1.46 CC/C=C/COC[C@@H]1C[C@H]1C 1f2f68f96ba6719fd078c10e53006a5c [0,0,0,1,0,0|2,0,1]=4 411 B11R1.46 CC/C=C/COC[C@H]1C[C@@H]1C 981ba8af5be086971d42f8f9ed879e43 [0,0,0,1,0,0|2,0,1]=4 412 B11R1.47 CC/C=C/CNCC1CCC1 b2a93de45df7702525c9dec8c6a0cd72 [0,0,0,1,0,0|2,0,1]=4 413 B11R1.47 CC/C=C/COCC1CCC1 2779ebbc30efd0c8dfcdace37da6dbc6 [0,0,0,1,0,0|2,0,1]=4 414 B11R1.47 CC/C=C\COCC1CCC1 94df9e27699fb0c2fe7f9154a6f213d8 [0,0,0,1,0,0|2,0,1]=4 415 B11R1.99 CC/C=C/CNCCC1CC1 7cfe514ab683e2072aef3cc2de73ac7d [0,0,0,1,0,0|2,0,1]=4 416 B11R1.99 CC/C=C/COCCC1CC1 e60f718b4365dafcc26e4560f648dddc [0,0,0,1,0,0|2,0,1]=4 417 B11R1.99 CC/C=C\COCCC1CC1 045eaad199294c15189cf29975640228 [0,0,0,1,0,0|2,0,1]=4 418 B11R1.109 CCCn1nccc1NCO b1273a55a24d0d13a46a54821ff34700 [0,0,0,1,0,0|3,0,0]=4 419 B11R1.117 CCNC1/C=C\CCCCC1 d336d57c3ba520e6ee9fd53bada66f35 [0,0,0,1,0,0|2,0,1]=4 420 B11R1.117 CCOC1/C=C/CCCCC1 abf2246196c4ef31596e50aa932027ef [0,0,0,1,0,0|2,0,1]=4 421 B11R1.117 CCOC1/C=C\CCCCC1 4423aca8181b7315cb102110ae25321b [0,0,0,1,0,0|2,0,1]=4 422 B11R1.117 CCOC1C=CCCCCC1 4c0498546d74402c1ac2d3026b0d1471 [0,0,0,1,0,0|2,0,1]=4 423 B11R1.117 CCO[C@H]1/C=C/CCCCC1 35fa0159511dcaa848d796c12724494e [0,0,0,1,0,0|2,0,1]=4 424 B11R1.117 CCO[C@H]1/C=C\CCCCC1 9faa883b1b12ae88d72c6724171fa26a [0,0,0,1,0,0|2,0,1]=4 425 B11R1.117 FCNC1/C=C\CCCCC1 5bcfc68b2c26735806913301f9e52507 [0,0,0,1,0,0|2,0,1]=4 426 B11R1.117 FCOC1/C=C/CCCCC1 14e6a379d03c086a4ea82900e267a8df [0,0,0,1,0,0|2,0,1]=4 427 B11R1.117 FCOC1/C=C\CCCCC1 a5f0fee61b6c3cb202ffcc81ce2db7df [0,0,0,1,0,0|2,0,1]=4 428 B11R1.117 FCOC1C=CCCCCC1 d04bfe3f626e598505760b8fca8f78ee [0,0,0,1,0,0|2,0,1]=4 429 B11R1.117 FCO[C@H]1/C=C/CCCCC1 5af450eb2c5d32e7478e75ab1b36caeb [0,0,0,1,0,0|2,0,1]=4 430 B11R1.117 FCO[C@H]1/C=C\CCCCC1 b15eb6b9fe654cf0e1dfb511bf9a6797 [0,0,0,1,0,0|2,0,1]=4 431 B11R1.117 OCNC1/C=C\CCCCC1 79f711495d841931a9f2a730c7693a05 [0,0,0,1,0,0|1,0,1]=3 432 B11R1.180 CC/C=C/CN1CCCC1C 4c5b655e79e3f4fbdf4f420a3122049a [0,0,0,1,0,0|2,0,1]=4 433 B11R1.180 CC/C=C/CN1CCC[C@@H]1C ed4bb17962041fd6aa5ddbb2efcf7842 [0,0,0,1,0,0|2,0,1]=4 434 B11R1.180 CC/C=C/CN1CCC[C@H]1C 0ba68089ba3f37c679502c085af76bed [0,0,0,1,0,0|2,0,1]=4 435 B11R1.180 CCCCNc1cccn1C 832204d8dcb1af64b9a1e1bacf002b6c [0,0,0,1,0,0|3,0,0]=4 436 B11R1.180 CCCCOc1cccn1C 3d38f62a78a4cbc2c835f47b4346f2ef [0,0,0,1,0,0|3,0,0]=4 437 B11R1.180 CCCNCc1cccn1C 03b7e0880aeb897b9c2d7fe9e6746740 [0,0,0,1,0,0|3,0,0]=4 438 B11R1.180 CCCOCc1cccn1C 3f039c6ca2029fab4442f6776b28e5ad [0,0,0,1,0,0|3,0,0]=4 439 B11R1.180 CCNCCc1cccn1C d1e7ad57dcb275b0808266493147da16 [0,0,0,1,0,0|3,0,0]=4 440 B11R1.180 CCOCCc1cccn1C dda7e85aa0dab40e84f600f0563a4e9a [0,0,0,1,0,0|3,0,0]=4 441 B11R1.181 CC/C=C/CN1CCC1CC cfa2436c8d90e40269073e89f0d9d447 [0,0,0,1,0,0|2,0,1]=4 442 B11R1.190 CC/C=C/CN[C@@H]1CC[C@H]1C 1faad789915f89670e5991a75456bc8e [0,0,0,1,0,0|2,0,1]=4 443 B11R1.190 CC/C=C/CN[C@H]1CC[C@H]1C 69586106f34ad43fe495d59a38d2961e [0,0,0,1,0,0|2,0,1]=4 444 B8R0.4 C/C=C/C=C/COCC 48048cc52dfb080561bace8cd1da333e [2,0,0,0,0,0|1,0,0]=3 445 B8R0.4 C/C=C/C=C/COCF 02510bc1e5437b525e5ca68e059cfda2 [2,0,0,0,0,0|2,0,0]=4 446 B8R0.4 C/C=C/CCCOCC 29e30394c7c806aedb2c26dcf7eb5a9a [2,0,0,0,0,0|1,0,1]=4 447 B8R0.4 C/C=C/CCOCCC f366940c9b8e42845e1a3a54e7e58d66 [2,0,0,0,0,0|1,0,1]=4 448 B8R0.4 C/C=C/CNCCCC ce13f55ef8680a347af127fe05187ac2 [2,0,0,0,0,0|1,0,1]=4 449 B8R0.4 C/C=C/COCCCC 386b5fceec7ebb1bc8f3283962203eeb [2,0,0,0,0,0|1,0,1]=4 450 B8R0.4 C/C=C\CCCOCC 4d6755ca0163dc89f5ab91481d285f2d [2,0,0,0,0,0|1,0,1]=4 451 B8R0.4 C/C=C\CNCCCC b9e7ddbf697616b15bea928cc6394f2f [2,0,0,0,0,0|1,0,1]=4 452 B8R0.4 C/C=C\COCCCC c8285cb0cc053e0461398a5e6fb02665 [2,0,0,0,0,0|1,0,1]=4 453 B8R0.4 C=C/C=C/CCNCC abe888d93c90720b4bafeddab30018c6 [2,0,0,0,0,0|1,0,0]=3 454 B8R0.4 C=C/C=C/CCNCF 1e65d032365f354a4b51175e978bf93e [2,0,0,0,0,0|2,0,0]=4 455 B8R0.4 C=C/C=C/CCNCO cc62028f0291dc61382b8a1bf0b8ba53 [2,0,0,0,0,0|2,0,0]=4 456 B8R0.4 C=CCNCCCCC 011aacf19cd9f1faf70789f3f05aca79 [2,0,0,0,0,0|1,0,1]=4 457 B8R0.4 C=CCOCCCCC fcddc90e6084facec8d1d12eaaa08ee7 [2,0,0,0,0,0|1,0,1]=4 458 B8R0.4 CC/C=C/CCOCC 4aff7b2c30c18c7ed71e09741dd9cd03 [2,0,0,0,0,0|1,0,1]=4 459 B8R0.4 CC/C=C/CNCCC 7b76f5221e9f8d321a930b2cc78f0465 [2,0,0,0,0,0|1,0,1]=4 460 B8R0.4 CC/C=C/COCCC 7c99577e2748989634a614f6f829f70a [2,0,0,0,0,0|1,0,1]=4 461 B8R0.4 CC/C=C\CCOCC a415407c2a3f74060244fd9fe72f26f2 [2,0,0,0,0,0|1,0,1]=4 462 B8R0.4 CC/C=C\COCCC bfdbd41336075fd3cb4c9e9e3471925b [2,0,0,0,0,0|1,0,1]=4 463 B8R0.4 CC=C=CCCOCC 6bee7d8955b0da11354efc3ae62c1cea [2,0,0,0,0,0|1,0,1]=4 464 B8R0.4 CC=CC=CCOCC 6e3d8f43dbdb54d7ac9426c55e4b046b [2,0,0,0,0,0|1,0,0]=3 465 B8R0.4 CC=CC=CCOCF 1aa20a7eea5c51200b32b92fc0ce88f4 [2,0,0,0,0,0|2,0,0]=4 466 B8R0.4 CC=CCCCOCC 5c3740efae5691bcaf9a76740bada28e [2,0,0,0,0,0|1,0,1]=4 467 B8R0.4 CC=CCNCCCC 6c09d356389ec0afd4d9be0c8efbc370 [2,0,0,0,0,0|1,0,1]=4 468 B8R0.4 CC=CCOCCCC 071b2f24d4974b0b4fcd0a0845303916 [2,0,0,0,0,0|1,0,1]=4 469 B8R0.4 CCCCCCNCO fee4d07ce0e7c74e0c9bf65bf9405250 [2,0,0,0,0,0|1,0,1]=4 470 B8R0.4 CCCCCNCCO f9b71f37f65a5dd4fd3f51e1e821c5a0 [2,0,0,0,0,0|1,0,1]=4 471 B8R0.4 CCCCNC/C=C\O 030dd5950e83ae29a206c0c1dbd703ac [2,0,0,0,0,0|1,0,1]=4 472 B8R0.4 CCCOC/C=C/C=O 88e4ab35b9a1c04df8f17a2331d70828 [2,0,0,0,0,0|1,0,1]=4 473 B10R0.1 C/C=C/C(=O)NCCCCC 2f321928cc740d5db12c914a5b6ab6d1 [1,1,0,0,0,0|1,0,0]=3 474 B10R0.1 C/C=C/C(=O)NCCCCCl 923cde727a3cb62bfbbc1ee39266672e [1,1,0,0,0,0|2,0,0]=4 475 B10R0.1 C/C=C/C(=O)NCCCCO 70df9f186e919a03173f4e1dd8b81859 [1,1,0,0,0,0|2,0,0]=4 476 B10R0.1 C/C=C/C(=O)NCCCCS ebe5a2ae63cad117b05b425fe70e8540 [1,1,0,0,0,0|2,0,0]=4 477 B10R0.1 C/C=C/C(=O)NCCCOC 80796346853b04cc6329554b3ec41cb0 [1,1,0,0,0,0|2,0,0]=4 478 B10R0.1 C/C=C/C(=O)NCCCSC b3f469f7c121b4425f21f25baa4aa6a3 [1,1,0,0,0,0|2,0,0]=4 479 B10R0.1 C/C=C/C(=O)NCCOCC 4e87f9f93bfc520c6ab46595ad82456b [1,1,0,0,0,0|2,0,0]=4 480 B10R0.1 C/C=C/C(=O)NCCSCC 6490ab333f2f176aa1c6721bf2f34158 [1,1,0,0,0,0|2,0,0]=4 481 B10R0.1 C/C=C/C(C)OCCCCC 32eea464d13baf497956841c74817910 [1,1,0,0,0,0|1,0,1]=4 482 B10R0.1 C/C=C/CNCC(O)CCC 015cf53a97a3f1ced4b0ee8d7d4f17f3 [1,1,0,0,0,0|1,0,1]=4 483 B10R0.1 C/C=C/COCC(C)CCC 2fb77c85e6b8fcf2f3d59adb72426c1c [1,1,0,0,0,0|1,0,1]=4 484 B10R0.1 C/C=C\CNCC(O)CCC 4ea66076339258948e8d1fa49c1c75bb [1,1,0,0,0,0|1,0,1]=4 485 B10R0.1 C/C=C\COCC(C)CCC e48afa56e491d298d26a4fd2f9c4fab9 [1,1,0,0,0,0|1,0,1]=4 486 B10R0.1 CC=CC(C)OCCCCC 259a2b9391696a02dba972e36c06304b [1,1,0,0,0,0|1,0,1]=4 487 B10R0.1 CC=CCNCC(C)CCC 9c5f452cb2e54819547c371c496b9ba4 [1,1,0,0,0,0|1,0,1]=4 488 B10R0.1 CC=CCOCC(C)CCC 1cd626962d74035e6273f3956c6e1a99 [1,1,0,0,0,0|1,0,1]=4 489 B10R0.1 CCCC(O)CNC/C=C\O ca2869cfe4a0cbc93884fc72469adf93 [1,1,0,0,0,0|1,0,1]=4 490 B10R0.1 CCCCCNC(=O)/C=C/Br ecb0435aa4ab2463ea90f4a108508e49 [1,1,0,0,0,0|2,0,0]=4 491 B10R0.1 CCCCCNC(=O)/C=C/Cl 955b6b7e3570e960a539fd062005b989 [1,1,0,0,0,0|2,0,0]=4 492 B10R0.1 CCCCCNC(=O)/C=C/I 9d744226616ad522003fc9992037fda5 [1,1,0,0,0,0|2,0,0]=4 493 B10R0.1 CCCCCNC(=O)/C=C\Br a8b87e6dae729d0470517d0b917e3af0 [1,1,0,0,0,0|2,0,0]=4 494 B10R0.1 CCCCCNC(=O)/C=C\Cl a04be071be8a4f2debb635989d021997 [1,1,0,0,0,0|2,0,0]=4 495 B10R0.1 CCCCCNC(=O)/C=C\I 3783fb49757e249c404b8c565e3696ea [1,1,0,0,0,0|2,0,0]=4 496 B10R0.1 CCCCCNC(=O)C=CBr 73a98e1197e9d4f9a1e5c85edaa5cbe8 [1,1,0,0,0,0|2,0,0]=4 497 B10R0.1 CCCCCNC(=O)C=CI eb1e29e3ea7986611f3db8e1e5282c20 [1,1,0,0,0,0|2,0,0]=4 498 B10R0.1 CCCCCNC(=O)CCO e4a8972fa724b6f0f9b4d6b3c835d2fb [1,1,0,0,0,0|1,0,1]=4 499 B10R0.4 C/C=C/C=C/COCC(C)C bb914ccb0b11afff65e287f17c04748c [1,1,0,0,0,0|1,0,0]=3 500 B10R0.4 C/C=C/C=C/COCC(F)F 7962f0714e1e88336ce9a8371865d1c3 [1,1,0,0,0,0|2,0,0]=4 501 B10R0.4 C/C=C/C=C/COCN(C)C 0a4cb6300f695dc5137cbc8df1f1b07f [1,1,0,0,0,0|2,0,0]=4 502 B10R0.4 C/C=C/CNCCCC(C)C 8ea535087adebc9661622b59b92f951b [1,1,0,0,0,0|1,0,1]=4 503 B10R0.4 C/C=C/COCCCC(C)C dceee63b70719bd3a6782d8c5a79b804 [1,1,0,0,0,0|1,0,1]=4 504 B10R0.4 C/C=C\CNCCCC(C)C 37c291526964f0726253fbf5c2e58618 [1,1,0,0,0,0|1,0,1]=4 505 B10R0.4 C/C=C\COCCCC(C)C 2818c0eb54b205c95404aca55bedc764 [1,1,0,0,0,0|1,0,1]=4 506 B10R0.4 C=C(C)COC/C=C/C=C/C 7bcd50f3297ee1245ae27ab41f34f3f9 [1,1,0,0,0,0|1,0,1]=4 507 B10R0.4 C=C(C)COCC=CC=CC 4ec9a8e697f6f6e35c57e6fcfcdec7ff [1,1,0,0,0,0|1,0,1]=4 508 B10R0.4 CC(C)CCCNC/C=C\O 2aa0a9bd5b275bd23db7cc6dc79480cb [1,1,0,0,0,0|1,0,1]=4 509 B10R0.4 CC=CC=CCOCC(C)C 7814727135fdb8691dd30a42ea8e97a1 [1,1,0,0,0,0|1,0,0]=3 510 B10R0.4 CC=CC=CCOCC(F)F ff95461fe0b76a3a982d171b69f361a1 [1,1,0,0,0,0|2,0,0]=4 511 B10R0.4 CC=CC=CCOCN(C)C c6291082c6e3377abef892cfdfa9a569 [1,1,0,0,0,0|2,0,0]=4 512 B10R0.4 CC=CCNCCCC(C)C 8b4b36d9338b33cc8a63aa9a6286fb9d [1,1,0,0,0,0|1,0,1]=4 513 B10R0.4 CC=CCNCCCC(C)O 7d9efee94ec02dcbd0cb83703dda5dcc [1,1,0,0,0,0|1,0,1]=4 514 B10R0.4 CC=CCOCCCC(C)C 69e4ba7257346938984c2c9122d99ebd [1,1,0,0,0,0|1,0,1]=4 515 B10R0.4 CCCCCNC/C=C(/C)\I 888f407c9912c682883282c5fa449bc3 [1,1,0,0,0,0|1,0,1]=4 516 B10R0.4 CCCCCNC/C=C(\C)/Cl 177e0edb752142a6e20de7fca3adb5b2 [1,1,0,0,0,0|1,0,1]=4 517 B10R0.4 CCCCCNCC=C(C)C 86a525cd8e4a6b34c066789a57566e47 [1,1,0,0,0,0|1,0,1]=4 518 B10R0.4 CCCCCNCC=C(C)Cl 50118f3abc69b2d8e563f0002063ccb1 [1,1,0,0,0,0|1,0,1]=4 519 B10R0.4 CCCCCNCC=C(C)I b6202e36bf5cc884706cc14a806fb748 [1,1,0,0,0,0|1,0,1]=4 520 B10R0.4 CCCCCOC/C=C(/C)\Cl aa962184d6cd966db0085f8251712374 [1,1,0,0,0,0|1,0,1]=4 521 B10R0.4 CCCCCOC/C=C(/C)\I 888a413f21dfbd656fc488c73a67a4d6 [1,1,0,0,0,0|1,0,1]=4 522 B10R0.4 CCCCCOC/C=C(\C)/Cl 4c8af2dec5ba3b4dfe6107e44ddef16b [1,1,0,0,0,0|1,0,1]=4 523 B10R0.4 CCCCCOCC=C(C)C d6a15546708c44b4ae5a35a9bc35cd2c [1,1,0,0,0,0|1,0,1]=4 524 B10R0.4 CCCCCOCC=C(C)Cl 520db63c0e141892ce317b451f1cdca4 [1,1,0,0,0,0|1,0,1]=4 525 B10R0.4 CCCCCOCC=C(C)I f3bc6ca17f79771d527e93998bd60d7e [1,1,0,0,0,0|1,0,1]=4 526 B10R0.4 CCCCNC/C=C/C(=O)O 47b1a103370b1a6a86bcade53e559dd6 [1,1,0,0,0,0|1,0,1]=4 527 B10R0.4 CCCCNCC=CC(=O)O f8dc0eb33b8e1238b7e6a28f8075ce7a [1,1,0,0,0,0|1,0,1]=4 528 B10R0.4 CCCCOC/C=C/C(=O)O f8be4ebbb6c99643b3f6245797365927 [1,1,0,0,0,0|1,0,1]=4 529 B10R0.4 CCCCOCC=CC(=O)O a5c4798b7a417df05ba6cec5bd7ffd88 [1,1,0,0,0,0|1,0,1]=4 530 B10R0.74 C/C=C/C=C/COC(C)CC ff1530e9bc96d34507f829f88f361ab1 [1,1,0,0,0,0|1,0,0]=3 531 B10R0.74 C/C=C/CNCCC(C)CC 6cc01580f340320bac120d134598025c [1,1,0,0,0,0|1,0,1]=4 532 B10R0.74 C/C=C/COCCC(C)CC 737263755e3822c658b34ead14a8591d [1,1,0,0,0,0|1,0,1]=4 533 B10R0.74 C/C=C/COCCC(S)CC 8a05449dc4da39a5eb134ed0be832f16 [1,1,0,0,0,0|1,0,1]=4 534 B10R0.74 C/C=C/COCC[C@@H](C)CC d5a520b982993a87525c669b541f4c49 [1,1,0,0,0,0|1,0,1]=4 535 B10R0.74 C/C=C\CNCCC(C)CC 5c5c1d6dc793427e2ee2da8c1d7d5b38 [1,1,0,0,0,0|1,0,1]=4 536 B10R0.74 C/C=C\COCCC(C)CC c7bcce0265e9d3d33b9c5f6bca62c7c4 [1,1,0,0,0,0|1,0,1]=4 537 B10R0.74 C/C=C\COCCC(S)CC 8d121854c410b41ac14b3ea7643ca6c9 [1,1,0,0,0,0|1,0,1]=4 538 B10R0.74 C/C=C\COCC[C@@H](C)CC a24c60b43cb384b75aa38d56e5291d22 [1,1,0,0,0,0|1,0,1]=4 539 B10R0.74 C=C(CO)CNCCCCC 47cc22d1e0bb02b8d80aa229030b73ad [1,1,0,0,0,0|1,0,1]=4 540 B10R0.74 CC=CC=CCOC(C)CC 0a2efb37d824133be0eb09c04aa3689f [1,1,0,0,0,0|1,0,0]=3 541 B10R0.74 CC=CCNCCC(C)CC a1f32de23b8d3fcd427378aae61b906f [1,1,0,0,0,0|1,0,1]=4 542 B10R0.74 CC=CCOCCC(C)CC 9f892204b2a3d317b48edecc07227d95 [1,1,0,0,0,0|1,0,1]=4 543 B10R0.74 CCC(C)CCNC/C=C\O a7a6eb3d3fc296d93cb0f511af034181 [1,1,0,0,0,0|1,0,1]=4 544 B10R0.74 CCCCCCNC(=O)CO e8cf9f23cdf04b79897a080a69f10636 [1,1,0,0,0,0|1,0,1]=4 545 B10R0.74 CCCCCNCC(=O)CO 6b2786aaa9795a5c5117cb363febeda7 [1,1,0,0,0,0|1,0,1]=4 546 B10R0.74 CCCNC/C=C/C(=O)OC d187b40bc82130c5216e6dc2996aa46d [1,1,0,0,0,0|2,0,0]=4 547 B10R0.74 CCCNC/C=C\C(=O)OC d531e3c68942266bed58d1eba3e9966a [1,1,0,0,0,0|2,0,0]=4 548 B10R0.74 CCCNCC=CC(=O)OC 350c6262148a20258506775102337b8b [1,1,0,0,0,0|2,0,0]=4 549 B10R0.74 CCCOC/C=C/C(=O)OC bfce11a355dc4f4a5487c0dbb8f55e6b [1,1,0,0,0,0|2,0,0]=4 550 B10R0.74 CCCOC/C=C\C(=O)OC dcfa8ae3af300ec4f68156f25ffba366 [1,1,0,0,0,0|2,0,0]=4 551 B10R0.74 CCCOCC=CC(=O)OC 6c5e7ef1753396b9c64f09bd9c14ee05 [1,1,0,0,0,0|2,0,0]=4 552 B10R0.91 C/C=C/C=C/C(=O)NCCC ad97c5263faed79ca3de2c9d7c98b0d9 [1,1,0,0,0,0|1,0,1]=4 553 B10R0.91 C/C=C/CC(=O)NCCCC 36087e9f780b7b5769d5a09c52717782 [1,1,0,0,0,0|1,0,1]=4 554 B10R0.91 C/C=C/CN(C)CCCCC b643bb30cb7e9977df41b277f79cc54b [1,1,0,0,0,0|1,0,1]=4 555 B10R0.91 C/C=C/CNC(C)CCCC c768e005aaa029fe969ee330232516fa [1,1,0,0,0,0|1,0,1]=4 556 B10R0.91 C/C=C/CN[C@H](C)CCCC 8280d151c28b1c2a87fd5e1f79807869 [1,1,0,0,0,0|1,0,1]=4 557 B10R0.91 C/C=C/COC(C)CCCC 7805197790e1cd20e24e2590772b13ff [1,1,0,0,0,0|1,0,1]=4 558 B10R0.91 C/C=C/CO[C@@H](C)CCCC 9a554e267dffbe67e601644b9c99c569 [1,1,0,0,0,0|1,0,1]=4 559 B10R0.91 C/C=C/CO[C@H](C)CCCC e64769a5195eae2a7dd7850d6a7e6ad7 [1,1,0,0,0,0|1,0,1]=4 560 B10R0.91 C/C=C\CN(C)CCCCC 177287e1a7956982e54aea0b21af892f [1,1,0,0,0,0|1,0,1]=4 561 B10R0.91 C/C=C\CNC(C)CCCC 9b9b232bf5c2f7a67294c432f2479aa9 [1,1,0,0,0,0|1,0,1]=4 562 B10R0.91 C/C=C\CN[C@H](C)CCCC 2a174dc47fd0077606add2cb9a788d21 [1,1,0,0,0,0|1,0,1]=4 563 B10R0.91 C/C=C\COC(C)CCCC 0e0fc461c4d5efc29c2851a81d8d701f [1,1,0,0,0,0|1,0,1]=4 564 B10R0.91 C/C=C\CO[C@@H](C)CCCC 64c1e64c78ef97ae710aa96e8b9ba587 [1,1,0,0,0,0|1,0,1]=4 565 B10R0.91 C/C=C\CO[C@H](C)CCCC 5bcdb3d12b2edc99cd74d01d2dd8cf1c [1,1,0,0,0,0|1,0,1]=4 566 B10R0.91 C=C/C=C/C(=O)NCCCC 10ab5b019fd666fa7fd5d4798cb4be3a [1,1,0,0,0,0|1,0,1]=4 567 B10R0.91 C=C/C=C\C(=O)NCCCC c8a18923925d2c2145bb35dcf37ddb4d [1,1,0,0,0,0|1,0,1]=4 568 B10R0.91 C=CC=CC(=O)NCCCC 20646493048f04a031bdcfa6bf608cd9 [1,1,0,0,0,0|1,0,1]=4 569 B10R0.91 CC/C=C/C(=O)NCCCC c9d7698c45e961917c65b16fe10c228c [1,1,0,0,0,0|1,0,1]=4 570 B10R0.91 CC/C=C\C(=O)NCCCC e763bdcbf0afee106f8b1aa0242ce88a [1,1,0,0,0,0|1,0,1]=4 571 B10R0.91 CC=CC=CC(=O)NCCC 61b6faa146a00049a7dd6f7decc2bf97 [1,1,0,0,0,0|1,0,1]=4 572 B10R0.91 CC=CCNC(C)CCCC 9a7f154aebf067005aa5032e616b1150 [1,1,0,0,0,0|1,0,1]=4 573 B10R0.91 CC=CCOC(C)CCCC 7921c31dab6b7d7442432f4b9b30ae0d [1,1,0,0,0,0|1,0,1]=4 574 B10R0.91 CCC=CC(=O)NCCCC 7db747ae7974c9974839229645987c28 [1,1,0,0,0,0|1,0,1]=4 575 B10R0.91 CCCCC(C)NC/C=C\O 28be5d045f2940345367f968e55a05c3 [1,1,0,0,0,0|1,0,1]=4 576 B10R0.91 CCCCCC(=O)NCCO 92903432fe4eb247c90d29401a47cf8c [1,1,0,0,0,0|1,0,1]=4 577 B10R0.91 CCCCCN(C)C/C=C\O f012a7b910e47fc28ca5fca1a496879e [1,1,0,0,0,0|1,0,1]=4 578 B10R0.91 CCCCNC(=O)/C=C/CF 8667a45f327c3048a0920a861f1269e2 [1,1,0,0,0,0|2,0,0]=4 579 B10R0.91 CCCCNC(=O)/C=C/CO 2ac8c685ff9390416ab8532d6a061444 [1,1,0,0,0,0|1,0,0]=3 580 B10R0.91 CCCCNC(=O)/C=C/OC 3ddb36a096aff7b4f218a15538d36db8 [1,1,0,0,0,0|2,0,0]=4 581 B10R0.91 CCCCNC(=O)C=CCO 60490383cd93829693fec948905d1cea [1,1,0,0,0,0|1,0,0]=3 582 B10R0.91 CCCCNC(=O)C=COC f50f47380a7d25dd694197dbc461442f [1,1,0,0,0,0|2,0,0]=4 583 B10R0.91 CCCC[C@@H](C)NC/C=C\O 21f5bc8dda0be7595afa220af9419c68 [1,1,0,0,0,0|1,0,1]=4 584 B10R0.91 COCCNC(=O)/C=C/CO 6de9f9c4564bed9035c74ba301e0cd1e [1,1,0,0,0,0|2,0,0]=4 585 B10R0.91 COCCNC(=O)C=CCO bf79e1abc3e1060f45d929b73decce42 [1,1,0,0,0,0|2,0,0]=4 586 B10R0.91 CSCCNC(=O)/C=C/CO 00d6500f3d57b947408bb9bb4e7ae61f [1,1,0,0,0,0|2,0,0]=4 587 B10R0.91 CSCCNC(=O)C=CCO 85da7d77ef4c1dab765c3e62e7387765 [1,1,0,0,0,0|2,0,0]=4 588 B10R0.91 O=C(/C=C/CO)NCCCCl 1a42db9295eb3f8d93b839921cf6477d [1,1,0,0,0,0|2,0,0]=4 589 B10R0.91 O=C(/C=C/CO)NCCCO 98bab4175b4f03a07ee38d0c5def6473 [1,1,0,0,0,0|2,0,0]=4 590 B10R0.91 O=C(C=CCO)NCCCCl 6a90c0205b8e60f27e618bc556a2c8fc [1,1,0,0,0,0|2,0,0]=4 591 B10R0.91 O=C(C=CCO)NCCCO 1dfa9a7590b2767efa9dc068e657ec34 [1,1,0,0,0,0|2,0,0]=4 592 B12R0.1 CCCCNC/C=C/C(=O)OCC 1ed5449023ba030743a3ae056eca355b [0,2,0,0,0,0|2,0,0]=4 593 B12R0.1 CCCCNCC=CC(=O)OCC dc25e93e632bd5eebd16694cb89d7b9d [0,2,0,0,0,0|2,0,0]=4 594 B12R0.1 CCCCOC/C=C/C(=O)OCC e181cd6e2cd1be5c79bb3d0735422fe2 [0,2,0,0,0,0|2,0,0]=4 595 B12R0.1 CCCCOCC=CC(=O)OCC a47918836e21ce5e28774d557ccd72ac [0,2,0,0,0,0|2,0,0]=4 596 B12R0.1 CCCNCCC=CC(=O)OCC 9cfa1e2cb2a6dd48c725806d070b04e3 [0,2,0,0,0,0|2,0,0]=4 597 B12R0.1 CCCOCC/C=C/C(=O)OCC 2303bf326aa3f733f62fc47186ae09c4 [0,2,0,0,0,0|2,0,0]=4 598 B12R0.1 CCCOCCC=CC(=O)OCC ee774255ff7f32f7caf1532cbc9ee9ea [0,2,0,0,0,0|2,0,0]=4 599 B12R0.5 CC/C=C/CC/C=C/COCCC 4a5d983a603d86734c380c9c200d4d19 [0,2,0,0,0,0|2,0,0]=4 600 B12R0.5 CC/C=C\C/C=C\CCCOCC e180421407901b37c33dd41b99ed7129 [0,2,0,0,0,0|1,0,0]=3 601 B12R0.5 CC/C=C\C/C=C\CCCOCF ec90741940f9e6371fed033b60de6e1f [0,2,0,0,0,0|2,0,0]=4 602 B12R0.5 CC/C=C\CC/C=C/COCCC a9c0fdb8965fb028f1b33f346fa6f630 [0,2,0,0,0,0|2,0,0]=4 603 B12R0.5 CCC/C=C/C=C/COCCCC 383183f12d3781ad5256d19e67f35cad [0,2,0,0,0,0|1,0,0]=3 604 B12R0.5 CCC/C=C/C=C/COCCCF 81597283b2fdae2e9cafb753404b4291 [0,2,0,0,0,0|2,0,0]=4 605 B12R0.5 CCC/C=C/C=C/COCCCS 581bf30f156116d84bd906bc715b4190 [0,2,0,0,0,0|2,0,0]=4 606 B12R0.5 CCC/C=C/C=C/COCCOC ace0e2b2e1ccc8d3f2b3e90bf5dd76f2 [0,2,0,0,0,0|2,0,0]=4 607 B12R0.5 CCC/C=C/C=C/COCCSC 919c84ca232d2396578822b12ccdd623 [0,2,0,0,0,0|2,0,0]=4 608 B12R0.5 CCC/C=C/C=C/COCOCC b7cd8977eca9d099d7f6a953161ccbe2 [0,2,0,0,0,0|2,0,0]=4 609 B12R0.5 CCC=CCC=CCCOCCC 0e804d76c25fe36f08f0bf4dc942ea9d [0,2,0,0,0,0|1,0,0]=3 610 B12R0.5 CCC=CCC=CCCOCCF 0aac5fa5998ce77e1b9ca83582c00b3e [0,2,0,0,0,0|2,0,0]=4 611 B12R0.5 CCC=CCC=CCCOCCS 34af83701f9f88b73d80cc1f166e358d [0,2,0,0,0,0|2,0,0]=4 612 B12R0.5 CCC=CCC=CCCOCOC fea1b789d935e98b5352b40a2762f920 [0,2,0,0,0,0|2,0,0]=4 613 B12R0.5 CCC=CCC=CCCOCSC 70c52772c1084a0affeb9171bcacaf09 [0,2,0,0,0,0|2,0,0]=4 614 B12R0.5 CCC=CCCC=CCOCCC 8d1ffaf9a3e3b4214165224cd57d1c0b [0,2,0,0,0,0|2,0,0]=4 615 B12R0.5 CCCCC/C=C/COCCOC 346dcd99a3e74b906b0f8491218c3978 [0,2,0,0,0,0|0,0,2]=4 616 B12R0.5 CCCCC/C=C/COCOCC 4a19294d86fc14fc2c4c444c9bceb78e [0,2,0,0,0,0|1,0,1]=4 617 B12R0.5 CCCCC/C=C\CCCOCC 6437ea0e3b9db0f73ec0b1ee876f7fa0 [0,2,0,0,0,0|0,0,2]=4 618 B12R0.5 CCCCC/C=C\CCCOCF 4d542fde4a8aef463d2e9fe9cd292c24 [0,2,0,0,0,0|0,0,2]=4 619 B12R0.5 CCCCC/C=C\CCOCOC 15bca33d413ea08b42fc32ab9dfa37d5 [0,2,0,0,0,0|0,0,2]=4 620 B12R0.5 CCCCCC/C=C/COCOC c4ea5e067492d857f2739c043c7295d6 [0,2,0,0,0,0|0,0,2]=4 621 B12R0.5 CCCCCC/C=C\COCOC d147e51dfa255a9bd54ce568eadbe913 [0,2,0,0,0,0|0,0,2]=4 622 B12R0.5 CCCCCC=CCCCOCC 828b4e01428e98db6f92776d11087df4 [0,2,0,0,0,0|0,0,2]=4 623 B12R0.5 CCCCCC=CCCCOCF 8134f416f38eac9d68575e6236940328 [0,2,0,0,0,0|0,0,2]=4 624 B12R0.47 C/C=C/C=C/C(=O)NCCCCC 6c0a7f6e1153def9c2cdbd5297d508d0 [0,2,0,0,0,0|1,0,1]=4 625 B12R0.47 CC/C=C/CC(=O)NCCCCC 940f00cc07c5e329d645b46275494768 [0,2,0,0,0,0|1,0,1]=4 626 B12R0.47 CC/C=C\CC(=O)NCCCCC ffa7f4f086207d8f8ec7583d6ff6101f [0,2,0,0,0,0|1,0,1]=4 627 B12R0.47 CC=CC=CC(=O)NCCCCC 30d487774495d8276c23f31630a7bad5 [0,2,0,0,0,0|1,0,1]=4 628 B12R0.47 CCC/C=C/C(=O)NCCCCC ea643cb8790244b284ad37e1d5b63974 [0,2,0,0,0,0|1,0,1]=4 629 B12R0.47 CCC=CCC(=O)NCCCCC 5e686aa7b1901d151515114dc104c375 [0,2,0,0,0,0|1,0,1]=4 630 B12R0.47 CCCC=CC(=O)NCCCCC e0ffa972a54ceb76b200c86463cb940c [0,2,0,0,0,0|1,0,1]=4 631 B12R0.47 CCCCCNC(=O)/C=C/COC e365aa86ad4deee4f4beddc198217dba [0,2,0,0,0,0|1,0,0]=3 632 B12R0.47 CCCCCNC(=O)/C=C/OCC f9712b12c9119b072924bd137cd7d2eb [0,2,0,0,0,0|2,0,0]=4 633 B12R0.47 CCCCCNC(=O)C=CCOC 098abef862bdf513d5b4a7a49eff7b5f [0,2,0,0,0,0|1,0,0]=3 634 B12R0.47 CCCCCNC(=O)C=COCC 2fbacfc2f3defb5ef07f3d78340995d2 [0,2,0,0,0,0|2,0,0]=4 635 B12R0.47 CCOCCNC(=O)/C=C/COC b64aa7a6d7c11ce936214c6e07bec79d [0,2,0,0,0,0|2,0,0]=4 636 B12R0.47 CCOCCNC(=O)C=CCOC fd239662cd422a140cdbde47a6819cda [0,2,0,0,0,0|2,0,0]=4 637 B12R0.47 CCSCCNC(=O)/C=C/COC 37cea679ee7f8b1e22bdae938907d62b [0,2,0,0,0,0|2,0,0]=4 638 B12R0.47 CCSCCNC(=O)C=CCOC bcb12a10166f6a6afaa62ffb328d3666 [0,2,0,0,0,0|2,0,0]=4 639 B12R0.47 COC/C=C/C(=O)NCCCCCl 7c1bfe24babd01ced867a5925bfb06ab [0,2,0,0,0,0|2,0,0]=4 640 B12R0.47 COC/C=C/C(=O)NCCCCO 42886e0147a6acb4b417ee21c363e4c2 [0,2,0,0,0,0|2,0,0]=4 641 B12R0.47 COC/C=C/C(=O)NCCCCS e6511045e25ade9c6dd65d27d768d5a0 [0,2,0,0,0,0|2,0,0]=4 642 B12R0.47 COC/C=C/C(=O)NCCCOC 278243cdf03dba90ef2f77bff685d7ef [0,2,0,0,0,0|2,0,0]=4 643 B12R0.47 COC/C=C/C(=O)NCCCSC fefa4760f3061dc5d2726ac3e8dc7e3b [0,2,0,0,0,0|2,0,0]=4 644 B12R0.47 COCC=CC(=O)NCCCCCl 1460f253ebe81cadcf4a6660692cef1f [0,2,0,0,0,0|2,0,0]=4 645 B12R0.47 COCC=CC(=O)NCCCCO 9db17f24373f52d1664086c4262a4571 [0,2,0,0,0,0|2,0,0]=4 646 B12R0.47 COCC=CC(=O)NCCCCS 2b277bff3de016cdab234700f90db028 [0,2,0,0,0,0|2,0,0]=4 647 B12R0.47 COCC=CC(=O)NCCCOC 979561e0dbf50f5af3ad836c6f1ed17c [0,2,0,0,0,0|2,0,0]=4 648 B12R0.47 COCC=CC(=O)NCCCSC baa05838719e55ddae9f5e24f1ab16a1 [0,2,0,0,0,0|2,0,0]=4 649 B12R0.206 C#CCCCCNC(=O)/C=C/CO bf50cca5481b838ba5d43e9e52d0e227 [0,2,0,0,0,0|1,0,1]=4 650 B12R0.206 C#CCCCCNC(=O)C=CCO e75e8e827c9451d471758a6f4e5a6c15 [0,2,0,0,0,0|1,0,1]=4 651 B12R0.206 C#CCNC(=O)/C=C/CCCCC 062fb5c1e0e050f0fea586f8fb3c7260 [0,2,0,0,0,0|2,0,0]=4 652 B12R0.206 C=CCCCCNC(=O)/C=C/CO de0c313aa1e7da940022814b3b5c35b8 [0,2,0,0,0,0|1,0,1]=4 653 B12R0.206 C=CCCCCNC(=O)C=CCO 973fb4b9a6ed3a0951d7eb94cffc2e99 [0,2,0,0,0,0|1,0,1]=4 654 B12R0.206 CC/C=C/C(=O)NCCCCCC 0ae15ea0c3e1227f52271a15cb9574cb [0,2,0,0,0,0|1,0,1]=4 655 B12R0.206 CC/C=C/C(=O)NCCCCCCl 1cba487f460b09f1117d282504a3f081 [0,2,0,0,0,0|2,0,0]=4 656 B12R0.206 CC/C=C/C(=O)NCCCCCO b86e40289aadda76aa3cbe3c0857311a [0,2,0,0,0,0|2,0,0]=4 657 B12R0.206 CC/C=C/C(=O)NCCCCOC 5c5a3b1455cc5b829b8bf19c7dbc5493 [0,2,0,0,0,0|2,0,0]=4 658 B12R0.206 CC/C=C/C(=O)NCCCCSC c1d7e06e841647504ae4a9ff573003c9 [0,2,0,0,0,0|2,0,0]=4 659 B12R0.206 CC/C=C/C(=O)NCCCOCC b111194ca0ab4d8c523569b9281861bc [0,2,0,0,0,0|2,0,0]=4 660 B12R0.206 CC/C=C/C(=O)NCCOCCC 478f48dcb3fd780550ceb865b553162e [0,2,0,0,0,0|2,0,0]=4 661 B12R0.206 CC/C=C\C(=O)NCCCCCC 8353d9dd77ca4f6ada77e5a2bc3fdb7a [0,2,0,0,0,0|1,0,1]=4 662 B12R0.206 CC/C=C\C(=O)NCCCCCCl 44da58920145d6e00cd9929feb8461d3 [0,2,0,0,0,0|2,0,0]=4 663 B12R0.206 CC/C=C\C(=O)NCCCCCO 39169b8c7eb3c2f4295438dc946c7e27 [0,2,0,0,0,0|2,0,0]=4 664 B12R0.206 CC/C=C\C(=O)NCCCCOC 9b5e239d8ecbc141a3cc94bd180cd0ef [0,2,0,0,0,0|2,0,0]=4 665 B12R0.206 CC/C=C\C(=O)NCCCCSC 09c86987b305c9c4d560bb9371df6e9a [0,2,0,0,0,0|2,0,0]=4 666 B12R0.206 CC/C=C\C(=O)NCCCOCC 9bf000f91e72a72a1ddb40833d3bfc11 [0,2,0,0,0,0|2,0,0]=4 667 B12R0.206 CC/C=C\C(=O)NCCOCCC 2c1aa52933a35b8ff43b1a02c5396350 [0,2,0,0,0,0|2,0,0]=4 668 B12R0.206 CCC=CC(=O)NCCCCCC 13ff3a32fc5dcac22caca9b21b4d62d5 [0,2,0,0,0,0|1,0,1]=4 669 B12R0.206 CCC=CC(=O)NCCCCCCl 63eac8337644e0aa55edf8882c0d16ea [0,2,0,0,0,0|2,0,0]=4 670 B12R0.206 CCC=CC(=O)NCCCCCO 664eb37c530fca1a64092d1a39d64956 [0,2,0,0,0,0|2,0,0]=4 671 B12R0.206 CCC=CC(=O)NCCCCOC fa7533635f0c2b2c12d32f0aee334d29 [0,2,0,0,0,0|2,0,0]=4 672 B12R0.206 CCC=CC(=O)NCCCCSC 0d2772c21c3f48f5e78488a276ef8c5a [0,2,0,0,0,0|2,0,0]=4 673 B12R0.206 CCC=CC(=O)NCCCOCC b46924b039266f54dd429efa0fcae4e9 [0,2,0,0,0,0|2,0,0]=4 674 B12R0.206 CCC=CC(=O)NCCOCCC 7ce0e4ce6704995bd86dd7ab2a7c4fc7 [0,2,0,0,0,0|2,0,0]=4 675 B12R0.206 CCCCC/C=C/C(=O)NCC#N 438f3cdc259a7f90e56194482f56d941 [0,2,0,0,0,0|2,0,0]=4 676 B12R0.206 CCCCC/C=C/C(=O)NCCBr 2d86ad87dcba7433ab905eb4ee63721d [0,2,0,0,0,0|1,0,1]=4 677 B12R0.206 CCCCC/C=C/C(=O)NCCC 228634eae84737332c0778e1f0951576 [0,2,0,0,0,0|1,0,1]=4 678 B12R0.206 CCCCC/C=C/C(=O)NCCF 449fae9f7a807a6eb13c8efd8e7834d4 [0,2,0,0,0,0|1,0,1]=4 679 B12R0.206 CCCCC/C=C/C(=O)NCCI 8e804df18898082efee8df9bb245d38c [0,2,0,0,0,0|1,0,1]=4 680 B12R0.206 CCCCC/C=C/C(=O)NCCO 763a49a7c41cfb9f53f1b2abad8d3f5e [0,2,0,0,0,0|0,0,1]=3 681 B12R0.206 CCCCC/C=C/C(=O)NCCS 87e9a313bd5ad5047689dabcbb274481 [0,2,0,0,0,0|0,1,1]=4 682 B12R0.206 CCCCCCNC(=O)/C=C/CF 5dc189665cbec589da8d3261ce5af8a9 [0,2,0,0,0,0|1,0,1]=4 683 B12R0.206 CCCCCCNC(=O)/C=C/CO 1d7213f74573f0cb0656f7808bc0992f [0,2,0,0,0,0|0,0,1]=3 684 B12R0.206 CCCCCCNC(=O)C=CCO 7007ec4db7b57d2382a77e91846b4afd [0,2,0,0,0,0|0,0,1]=3 685 B12R0.206 CCCOCCNC(=O)/C=C/CF 74281e1250c4c8ba900e12dbe55b4001 [0,2,0,0,0,0|2,0,0]=4 686 B12R0.206 CCCOCCNC(=O)/C=C/CO b4f62c6bc540905c1ca95c59bc302c51 [0,2,0,0,0,0|1,0,0]=3 687 B12R0.206 CCCOCCNC(=O)C=CCO 4caa9486638df77d0acc7f91e128bb3b [0,2,0,0,0,0|1,0,0]=3 688 B12R0.206 CCOCCCNC(=O)/C=C/CF 3e0ba8c9c3a64d0a7bd1ace667e678c4 [0,2,0,0,0,0|2,0,0]=4 689 B12R0.206 CCOCCCNC(=O)/C=C/CO 63ba217dc1db27c1df1ad48f791cfa68 [0,2,0,0,0,0|1,0,0]=3 690 B12R0.206 CCOCCCNC(=O)C=CCO 1468ba43c9b84942da7df235528b86a2 [0,2,0,0,0,0|1,0,0]=3 691 B12R0.206 COCCCCNC(=O)/C=C/CF c6b4985afc4e51779d5077032f1b9643 [0,2,0,0,0,0|2,0,0]=4 692 B12R0.206 COCCCCNC(=O)/C=C/CO 2df1edc1844b8cb8e496bf4af91d662e [0,2,0,0,0,0|1,0,0]=3 693 B12R0.206 COCCCCNC(=O)C=CCO a9580d31de2d83e6310b84bdb8c10151 [0,2,0,0,0,0|1,0,0]=3 694 B12R0.206 CSCCCCNC(=O)/C=C/CF 5b4b39f3e4c36e27969a3a2df9aed668 [0,2,0,0,0,0|2,0,0]=4 695 B12R0.206 CSCCCCNC(=O)/C=C/CO 906f159184703c8e34c24f687f1a30e9 [0,2,0,0,0,0|1,0,0]=3 696 B12R0.206 CSCCCCNC(=O)C=CCO 0927b9ee11c18882ea33f0ad96cf35a0 [0,2,0,0,0,0|1,0,0]=3 697 B12R0.206 N#CCCCCNC(=O)/C=C/CO 2f154f088849d18cc600af799fae5ac3 [0,2,0,0,0,0|1,0,1]=4 698 B12R0.206 N#CCCCCNC(=O)C=CCO 22a2e82537f4218c738f6c2861b3cd69 [0,2,0,0,0,0|1,0,1]=4 699 B12R0.206 O=C(/C=C/CF)NCCCCCCl aa0d018145db3ffe7996ac1cbcd0d84c [0,2,0,0,0,0|2,0,0]=4 700 B12R0.206 O=C(/C=C/CF)NCCCCCO 405944972813237f98e97d2cfa65d45d [0,2,0,0,0,0|2,0,0]=4 701 B12R0.206 O=C(/C=C/CO)NCCCCCCl f946d85438dff8bbaf951d2998d08a9a [0,2,0,0,0,0|1,0,0]=3 702 B12R0.206 O=C(/C=C/CO)NCCCCCO 55c4729dce9eea6d1a71a2f3b09a738c [0,2,0,0,0,0|1,0,0]=3 703 B12R0.206 O=C(/C=C/CO)NCCOCCO eb46b7753b13ed8db280cec90bbbbbd4 [0,2,0,0,0,0|2,0,0]=4 704 B12R0.206 O=C(/C=C/CO)NCCOCCS 8e365a294ab26142b2d21a1760b2174f [0,2,0,0,0,0|2,0,0]=4 705 B12R0.206 O=C(/C=C/CO)NCCSCCO b47a356e26bb3fd1586d777b7c11752f [0,2,0,0,0,0|2,0,0]=4 706 B12R0.206 O=C(C=CCO)NCCCCCCl f0666f4b1663d94884b6d73cc54a6c4d [0,2,0,0,0,0|1,0,0]=3 707 B12R0.206 O=C(C=CCO)NCCCCCO ad73bde11b5356bef09b0321aab150fa [0,2,0,0,0,0|1,0,0]=3 708 B12R0.206 O=C(C=CCO)NCCOCCO 99ca3f84656830fd08c29793e63d676b [0,2,0,0,0,0|2,0,0]=4 709 B12R0.206 O=C(C=CCO)NCCOCCS 0b271430b95e6f11f5c2c8a355cf6d23 [0,2,0,0,0,0|2,0,0]=4 710 B12R0.206 O=C(C=CCO)NCCSCCO a11dfad0d07617b6063d940707129f5f [0,2,0,0,0,0|2,0,0]=4 711 B12R0.234 CCC/C=C/C=C/COCC(C)C 714b1c0bb8fe0f13fc6dd907c8368bda [0,2,0,0,0,0|2,0,0]=4 712 B12R0.234 CCC=CCC=CCCOC(C)C c3a83e1a32030b3f189f2abed6ddb2dc [0,2,0,0,0,0|2,0,0]=4 713 B12R0.234 CCCCC/C=C/COCC(=O)O 38e2b6185e8a0ff212a0ddaf5b3d9e1c [0,2,0,0,0,0|1,0,1]=4 714 B12R0.248 CCC/C=C/C=C/COC(C)CC bca1cfb74ced6a3e1f8c66c68ab0229b [0,2,0,0,0,0|2,0,0]=4 715 B12R0.248 CCCNC/C=C/C=C/C(=O)OC 98a001f1a499cef23c9381c1af620336 [0,2,0,0,0,0|1,0,1]=4 716 B12R0.248 CCCNCC=CC=CC(=O)OC ef98746935714a0d168d26e0ea26c954 [0,2,0,0,0,0|1,0,1]=4 717 B12R0.248 CCCOC/C=C/C=C/C(=O)OC 44f1ff65ea9770b1e62020efbd7d0790 [0,2,0,0,0,0|1,0,1]=4 718 B12R0.248 CCCOCC=CC=CC(=O)OC e597be3e321eea4edd041c99f272ad33 [0,2,0,0,0,0|1,0,1]=4 719 B12R0.49 C=C(CO)C(=O)NCCCCCC ebe7fc68532266bffa9d6b5a5764a866 [0,2,0,0,0,0|1,0,1]=4 720 B12R0.49 CCCCC/C=C/C(=O)N(C)CC d4db29ff07fe309d7264826a79cb4dbf [0,2,0,0,0,0|2,0,0]=4 721 B12R0.101 CC(CCO)CNC(=O)/C=C/CO 2081dc08c9b3d95c2c648da35c5e843d [0,2,0,0,0,0|2,0,0]=4 722 B12R0.101 CC(CCO)CNC(=O)C=CCO 662dc78919a952f637dd552ed4dbe18e [0,2,0,0,0,0|2,0,0]=4 723 B12R0.101 CC/C=C/C(=O)NCC(O)CCC 3d88715c9aeb0249647854ebdd1aa1b2 [0,2,0,0,0,0|2,0,0]=4 724 B12R0.101 CC/C=C\C(=O)NCC(O)CCC 0f56b7a7017636306bfb7ed46c52d069 [0,2,0,0,0,0|2,0,0]=4 725 B12R0.101 CCC=CC(=O)NCC(O)CCC b5ced7de665a692d7fc1a76bc9efad10 [0,2,0,0,0,0|2,0,0]=4 726 B12R0.101 CCCC(O)CNC(=O)/C=C/CF e2ba32c52e02b54b64c6bed80ab5fda5 [0,2,0,0,0,0|2,0,0]=4 727 B12R0.101 CCCC(O)CNC(=O)/C=C/CO ddfeba924a9779f30e6d101666b1072e [0,2,0,0,0,0|1,0,0]=3 728 B12R0.101 CCCC(O)CNC(=O)C=CCO c458ce00e80dec4dd957c9fbb2a9c57c [0,2,0,0,0,0|1,0,0]=3 729 B12R0.101 CCOC(C)CNC(=O)/C=C/CO bfd6985e7971f113d89a3ee828ce3731 [0,2,0,0,0,0|2,0,0]=4 730 B12R0.101 CCOC(C)CNC(=O)C=CCO 077f9a7fe041030cd11fea8171a37b6a [0,2,0,0,0,0|2,0,0]=4 731 B12R0.101 COCC(O)CNC(=O)/C=C/CO 2e6e248e5789f59816e4206b8648e979 [0,2,0,0,0,0|2,0,0]=4 732 B12R0.101 COCC(O)CNC(=O)C=CCO 29962dc4237c52cf1c8bff15954246d9 [0,2,0,0,0,0|2,0,0]=4 733 B12R0.101 COC[C@@H](O)CNC(=O)/C=C/CO 1cfb3515ea1675c3db1568ae235c97e3 [0,2,0,0,0,0|2,0,0]=4 734 B12R0.101 COC[C@@H](O)CNC(=O)C=CCO 8072bbf2bb881a45d948971ea53768e5 [0,2,0,0,0,0|2,0,0]=4 735 B12R0.114 CC/C=C(\C)/C(=O)NCCCCC 7b1e8bd7936c7a683ce1db9333212314 [0,2,0,0,0,0|2,0,0]=4 736 B12R0.114 CCC=C(C)C(=O)NCCCCC 20d67e72dbce8598b2ab3131c5745d41 [0,2,0,0,0,0|2,0,0]=4 737 B12R0.102 CC(CO)CCNC(=O)/C=C/CO ff8ab92a28c354f863dc4293cde9a82a [0,2,0,0,0,0|2,0,0]=4 738 B12R0.102 CC(CO)CCNC(=O)C=CCO f03bff8ff375787cb7524463019d41a2 [0,2,0,0,0,0|2,0,0]=4 739 B12R0.102 CC/C=C/C(=O)NCCC(C)CC 9cb74c9c55c4b0038cb442a0db896f54 [0,2,0,0,0,0|2,0,0]=4 740 B12R0.102 CC/C=C\C(=O)NCCC(C)CC 2a2bdb41d5016490d51c55527e451f75 [0,2,0,0,0,0|2,0,0]=4 741 B12R0.102 CCC(C)CCNC(=O)/C=C/CF d92438aabb4184597b6c903eae299cf9 [0,2,0,0,0,0|2,0,0]=4 742 B12R0.102 CCC(C)CCNC(=O)/C=C/CO 8f7038a6175a79926aad38e3a412cb9d [0,2,0,0,0,0|1,0,0]=3 743 B12R0.102 CCC(C)CCNC(=O)C=CCO 7d81317cd1f5ec407335a3def709f43e [0,2,0,0,0,0|1,0,0]=3 744 B12R0.102 CCC=CC(=O)NCCC(C)CC 5ec3d8c8a2a52df802f6dcbf8e865c54 [0,2,0,0,0,0|2,0,0]=4 745 B12R0.102 C[C@@H](CO)CCNC(=O)/C=C/CO 3a46722ceec156cb39c8af6165d14e7d [0,2,0,0,0,0|2,0,0]=4 746 B12R0.102 C[C@@H](CO)CCNC(=O)C=CCO 57af1e57d7b8b9bf374daec479efa61f [0,2,0,0,0,0|2,0,0]=4 747 B12R0.102 O=C(/C=C/CO)NCCC(O)CO ae0cf41d287a2fbb8ddd9ec87e838e35 [0,2,0,0,0,0|2,0,0]=4 748 B12R0.102 O=C(C=CCO)NCCC(O)CO 99849f634e5df77e154670d67ccbc217 [0,2,0,0,0,0|2,0,0]=4 749 B12R0.113 CCCCCNC(=O)/C=C(/C)\CC ad5c1d98ed271871cfe377ce6e3d07f2 [0,2,0,0,0,0|2,0,0]=4 750 B12R0.113 CCCCCNC(=O)/C=C(\C)/CC 3d2805c9dd3f87627f84150cdc57b8a7 [0,2,0,0,0,0|2,0,0]=4 751 B12R0.113 CCCCCO/C(=C/C(=O)CC)/C 6ce2730c68b82666aab4bf2e5ec1e6b8 [0,2,0,0,0,0|2,0,0]=4 752 B12R0.95 CC(C)CCCNC(=O)/C=C/CF 3a65aae84ae58918d568221bbea44592 [0,2,0,0,0,0|2,0,0]=4 753 B12R0.95 CC(C)CCCNC(=O)/C=C/CO dace99511036fa1f0e1c7794daffc87f [0,2,0,0,0,0|1,0,0]=3 754 B12R0.95 CC(C)CCCNC(=O)C=CCO 5fc76536a3c61f0c64b1201f5eb7cf70 [0,2,0,0,0,0|1,0,0]=3 755 B12R0.95 CC(C)OCCNC(=O)/C=C/CO 97e7278f3280268f0266a2059dacb844 [0,2,0,0,0,0|2,0,0]=4 756 B12R0.95 CC(C)OCCNC(=O)C=CCO a0c4977c89033872851ae25cd0900ebd [0,2,0,0,0,0|2,0,0]=4 757 B12R0.95 CC/C=C/C(=O)NCCCC(C)C 3ebe3c580f0665574c2dd500d3cb2bfa [0,2,0,0,0,0|2,0,0]=4 758 B12R0.95 CC/C=C\C(=O)NCCCC(C)C 8f91eb5b5c26d03d9c94b91d7b1ae27f [0,2,0,0,0,0|2,0,0]=4 759 B12R0.95 CCC=CC(=O)NCCCC(C)C 8005c5a41188fb3f84b12403b1093cf0 [0,2,0,0,0,0|2,0,0]=4 760 B12R0.95 CN(C)CCCNC(=O)/C=C/CO 974dede7b60456878568a17e7262757e [0,2,0,0,0,0|2,0,0]=4 761 B12R0.95 CN(C)CCCNC(=O)C=CCO bf816a7b4d9a90d2f2221a779975f57f [0,2,0,0,0,0|2,0,0]=4 762 B12R0.95 CS(=O)CCCNC(=O)/C=C/CO 93e9a23d996f05aa51c44efce3ed61f6 [0,2,0,0,0,0|2,0,0]=4 763 B12R0.95 CS(=O)CCCNC(=O)C=CCO 996e199b0a242292989a6bba6ce5c475 [0,2,0,0,0,0|2,0,0]=4 764 B12R0.103 CC(CCCO)NC(=O)/C=C/CO d4788990b4bdde495c57900563513de5 [0,2,0,0,0,0|2,0,0]=4 765 B12R0.103 CC(CCCO)NC(=O)C=CCO c8e62d883547972d4a39ee1bb98799f6 [0,2,0,0,0,0|2,0,0]=4 766 B12R0.103 CC/C=C/C(=O)NC(C)CCCC 0ba316ccbdc5ed75afa50009dffd73a5 [0,2,0,0,0,0|2,0,0]=4 767 B12R0.103 CC/C=C/C(=O)N[C@H](C)CCCC fa5ed3e7749592fdb4288140637b3501 [0,2,0,0,0,0|2,0,0]=4 768 B12R0.103 CC/C=C\C(=O)NC(C)CCCC a3cf3dce28b5212b6f345f1cda66914e [0,2,0,0,0,0|2,0,0]=4 769 B12R0.103 CC/C=C\C(=O)N[C@H](C)CCCC 7c47bd1212b955a328288fa36ecc697d [0,2,0,0,0,0|2,0,0]=4 770 B12R0.103 CCC=CC(=O)NC(C)CCCC b78d38865b6d2262dd2c33d5e43c17dd [0,2,0,0,0,0|2,0,0]=4 771 B12R0.103 CCC=CC(=O)N[C@H](C)CCCC 128b8ee5b0f0a7528499144244bf66fa [0,2,0,0,0,0|2,0,0]=4 772 B12R0.103 CCCCC(C)NC(=O)/C=C/CF 05240b8aea8e1dba5b9f98e53d02f307 [0,2,0,0,0,0|2,0,0]=4 773 B12R0.103 CCCCC(C)NC(=O)/C=C/CO 2866630aa74e25ec394dc53056ed7afa [0,2,0,0,0,0|1,0,0]=3 774 B12R0.103 CCCCC(C)NC(=O)C=CCO 60fda1e6ef0effb33ebd3644095fd4f3 [0,2,0,0,0,0|1,0,0]=3 775 B12R0.103 CCCC[C@@H](C)NC(=O)/C=C/CF d724e95559b764bfd613fc9051729342 [0,2,0,0,0,0|2,0,0]=4 776 B12R0.103 CCCC[C@@H](C)NC(=O)/C=C/CO 650338edd70d160e7ab820114e373fd3 [0,2,0,0,0,0|1,0,0]=3 777 B12R0.103 CCCC[C@@H](C)NC(=O)C=CCO dc53307263f18b9720951911732cf77d [0,2,0,0,0,0|1,0,0]=3 778 B12R0.103 C[C@H](CCCO)NC(=O)/C=C/CO 07d5e21e93161ca625252a3747bc2886 [0,2,0,0,0,0|2,0,0]=4 779 B12R0.103 C[C@H](CCCO)NC(=O)C=CCO 53ae9c0b649e9ed0b91bf521c5541660 [0,2,0,0,0,0|2,0,0]=4 780 B12R0.255 CCCCCNC(=O)/C=C/C(C)C dbf0eac1fd56a72e3ad8e72f2cf44312 [0,2,0,0,0,0|2,0,0]=4 781 B12R0.255 CCCCCNC(=O)/C=C/C(F)F 640da29f8916c86e31a04f415d38c866 [0,2,0,0,0,0|2,0,0]=4 782 B12R0.648 CC/C=C/C(=O)N(C)CCCCC 7ea4363cb6f7cad5869e914f0db932e7 [0,2,0,0,0,0|2,0,0]=4 783 B12R0.648 CC/C=C\C(=O)N(C)CCCCC 10b001fe1bca2eff556760a4acb1a931 [0,2,0,0,0,0|2,0,0]=4 784 B12R0.648 CCC=CC(=O)N(C)CCCCC a56b538b1a64e9734974b3abd9f6a29b [0,2,0,0,0,0|2,0,0]=4 785 B12R0.648 CCCCCC(=O)C(=O)NCCO ae1f17c269cc64f961462091d365c3ff [0,2,0,0,0,0|1,0,1]=4 786 B12R0.648 CCCCCN(C)C(=O)/C=C/CF ecda53137cfb43a2be291b9b26e2930b [0,2,0,0,0,0|2,0,0]=4 787 B12R0.648 CCCCCN(C)C(=O)/C=C/CO 1fc8ea6c5e816a6177e421a648bf5bbf [0,2,0,0,0,0|1,0,0]=3 788 B12R0.648 CCCCCN(C)C(=O)C=CCO fb3f68838975495a8adc7b1b77354b12 [0,2,0,0,0,0|1,0,0]=3 789 B12R0.648 CCOCCN(C)C(=O)/C=C/CO 9223c6c65a7233afa975dc923d50b4db [0,2,0,0,0,0|2,0,0]=4 790 B12R0.648 CCOCCN(C)C(=O)C=CCO 6a6de7c9aa2b1d9ec3250405f637baaf [0,2,0,0,0,0|2,0,0]=4 791 B12R0.648 CN(CCCCO)C(=O)/C=C/CO f90eae8c9a894f82159d4e2d2a73a006 [0,2,0,0,0,0|2,0,0]=4 792 B12R0.648 CN(CCCCO)C(=O)C=CCO 41b899090aa7621f8a22d55d1dfdf8a6 [0,2,0,0,0,0|2,0,0]=4 793 B12R0.648 COCCCN(C)C(=O)/C=C/CO f5e8f987c9c8f62bc41c592986c6bbb3 [0,2,0,0,0,0|2,0,0]=4 794 B12R0.648 COCCCN(C)C(=O)C=CCO d65b286874586ab9bc3911a02c32b447 [0,2,0,0,0,0|2,0,0]=4 795 B10R1.5 CCCC1C=CCN1CO 5b8d33172efb51d1150484a91d54e4fd [1,0,0,1,0,0|1,0,1]=4 796 B10R1.5 CCCN1CC=CC1CO 3b7b105458b7455f7bfde1d3b3c1aa03 [1,0,0,1,0,0|1,0,1]=4 797 B10R1.12 C/C=C/CN1CCC1CC 94602098dc2ac8681c6db0088251103f [1,0,0,1,0,0|1,0,1]=4 798 B10R1.12 C/C=C\CN1CCC1CC 678dcf9991bc6009678a1c7ec41f77ba [1,0,0,1,0,0|1,0,1]=4 799 B10R1.12 CCC1CCN1C/C=C\O 097df33a1ee33ac97f662fcbe91be2c8 [1,0,0,1,0,0|1,0,1]=4 800 B10R1.17 OCNCC1=CCCCC1 4f5e921fadb5a44614022f9a839161d9 [1,0,0,1,0,0|1,0,1]=4 801 B10R1.21 BrCCNCc1ccco1 8c5e0347db7e3491c86fcbf95c4451a4 [1,0,0,1,0,0|2,0,0]=4 802 B10R1.21 C/C=C/CNC1CCCC1 f261ba78d73aae5efe1c061484a44dc5 [1,0,0,1,0,0|1,0,1]=4 803 B10R1.21 C/C=C/COC1CCCC1 bdbe26064b4f1863e9e15d1f2890bcc9 [1,0,0,1,0,0|1,0,1]=4 804 B10R1.21 C/C=C\CNC1CCCC1 9614c506fb7f31ee4e5e7974a724d35e [1,0,0,1,0,0|1,0,1]=4 805 B10R1.21 C/C=C\COC1CCCC1 e236b932345e43e30b00a93f0ddc53e0 [1,0,0,1,0,0|1,0,1]=4 806 B10R1.21 CC=CCNC1CCCC1 c8872ea926c5c73bcb9674987bc73c88 [1,0,0,1,0,0|1,0,1]=4 807 B10R1.21 CC=CCOC1CCCC1 5b0a62dfdbdaa58d7ad6eb6ae47e96b7 [1,0,0,1,0,0|1,0,1]=4 808 B10R1.21 CCCCCN1CC=CC1 f8ff4ce1fc30a8f02a35f223b9ac83c1 [1,0,0,1,0,0|1,0,1]=4 809 B10R1.21 CCCCNc1ccco1 59676670e7fa0c04d4e8b3beb240e350 [1,0,0,1,0,0|1,0,0]=3 810 B10R1.21 CCCCNc1cccs1 d0e1e22576c5f6dbd0951ff409f4ab02 [1,0,0,1,0,0|1,1,0]=4 811 B10R1.21 CCCCNc1ccno1 6ce6fff15c53db9398481797e3154d0a [1,0,0,1,0,0|2,0,0]=4 812 B10R1.21 CCCCNc1ncco1 2f1cff45c72424f1dd0699663acbed99 [1,0,0,1,0,0|2,0,0]=4 813 B10R1.21 CCCCOc1ccco1 69ea1c44ba0b20cb45990b8719447407 [1,0,0,1,0,0|1,0,0]=3 814 B10R1.21 CCCCOc1cccs1 d524184ff2bb44cbc7ae5ab279df4ef4 [1,0,0,1,0,0|1,1,0]=4 815 B10R1.21 CCCNCc1ccc[nH]1 389a419bddfc3ec4dd8aa13cc5a47be3 [1,0,0,1,0,0|2,0,0]=4 816 B10R1.21 CCCNCc1ccco1 de6afd493c9d06f3af6e49358fd71eee [1,0,0,1,0,0|1,0,0]=3 817 B10R1.21 CCCNCc1cccs1 a6b46c4b7b3d26eb24d84a1cd913df52 [1,0,0,1,0,0|1,1,0]=4 818 B10R1.21 CCCNCc1ccno1 f5be311df91e7b627912dde86779143b [1,0,0,1,0,0|2,0,0]=4 819 B10R1.21 CCCNCc1cnco1 1b5514d0e1b9a006b09cdecb0e0b1d25 [1,0,0,1,0,0|2,0,0]=4 820 B10R1.21 CCCNCc1ncco1 1bbc962d75b7819f240f6938a75188ec [1,0,0,1,0,0|2,0,0]=4 821 B10R1.21 CCCOCc1ccc[nH]1 cd7c6439400e4582d3103a4de108225f [1,0,0,1,0,0|2,0,0]=4 822 B10R1.21 CCCOCc1ccco1 68fddc7fa2e66c072844daffb93c2167 [1,0,0,1,0,0|1,0,0]=3 823 B10R1.21 CCCOCc1cccs1 a6f03adf2a826c0d56d546cb620a5207 [1,0,0,1,0,0|1,1,0]=4 824 B10R1.21 CCCOCc1ccno1 870c1a0078df086a024012effc01a45b [1,0,0,1,0,0|2,0,0]=4 825 B10R1.21 CCCOCc1cnco1 9d46dd82e2c335d0dac1e9a70ff331b6 [1,0,0,1,0,0|2,0,0]=4 826 B10R1.21 CCCOCc1ncco1 71ad9c831053756f6e2d91b3d3cccbb9 [1,0,0,1,0,0|2,0,0]=4 827 B10R1.21 CCNCCc1ccc[nH]1 8213ac8e4b9d94b1198a75f34bf94d78 [1,0,0,1,0,0|2,0,0]=4 828 B10R1.21 CCNCCc1ccco1 1ad917faeddbc2d8d316341d3d41b62a [1,0,0,1,0,0|1,0,0]=3 829 B10R1.21 CCNCCc1cccs1 f1bb449dfb857924f62fa7b623b4a581 [1,0,0,1,0,0|1,1,0]=4 830 B10R1.21 CCOCCc1ccc[nH]1 8ef61c623e3daff29562378e78c2e3e6 [1,0,0,1,0,0|2,0,0]=4 831 B10R1.21 CCOCCc1ccco1 bed872e177b1646746b6cb5e6f761166 [1,0,0,1,0,0|1,0,0]=3 832 B10R1.21 CCOCCc1cccs1 acaaec43fbd0c8ea9b4724789b403b3c [1,0,0,1,0,0|1,1,0]=4 833 B10R1.21 CCOCOc1ccco1 50027f11f0ebc3bb1d65662891127453 [1,0,0,1,0,0|2,0,0]=4 834 B10R1.21 COCCNc1ccco1 6446037fd2435f1d5d632a2ea17e6335 [1,0,0,1,0,0|2,0,0]=4 835 B10R1.21 COCCOc1ccco1 7edab0eeb45cb66520c905082a1511e1 [1,0,0,1,0,0|2,0,0]=4 836 B10R1.21 COCNCc1ccco1 ab0a134b649505be2ef4a9f4f282a23e [1,0,0,1,0,0|2,0,0]=4 837 B10R1.21 COCOCc1ccco1 529eee71e246af8b856ae502514aa81f [1,0,0,1,0,0|2,0,0]=4 838 B10R1.21 CSCCNc1ccco1 16997d2db32ec42d1356855cff785f3f [1,0,0,1,0,0|2,0,0]=4 839 B10R1.21 CSCCOc1ccco1 5259ce914bbcf53da4292d4e69a6b1eb [1,0,0,1,0,0|2,0,0]=4 840 B10R1.21 CSCNCc1ccco1 45b3d80d16b3c23ee837399e5f9cf973 [1,0,0,1,0,0|2,0,0]=4 841 B10R1.21 CSCOCc1ccco1 d82d2c3aff1c65cd9f5801d7e0281663 [1,0,0,1,0,0|2,0,0]=4 842 B10R1.21 ClCCCNc1ccco1 a6f130c8c0731f6a37b1f6ee951076be [1,0,0,1,0,0|2,0,0]=4 843 B10R1.21 FCCCOc1ccco1 51fe91774b9f4c69189217cc23692685 [1,0,0,1,0,0|2,0,0]=4 844 B10R1.21 FCCNCc1ccco1 eb7e2df8659dc52d8124585605ffbbe6 [1,0,0,1,0,0|2,0,0]=4 845 B10R1.21 FCCOCc1ccco1 967242227467dd8667ea4ec0e6be7d8a [1,0,0,1,0,0|2,0,0]=4 846 B10R1.21 FCNCCc1ccco1 c274e2fe40f74a5250d921378d833f9d [1,0,0,1,0,0|2,0,0]=4 847 B10R1.21 FCOCCc1ccco1 b932bcc9cfe884b19a450cd3b0242ac1 [1,0,0,1,0,0|2,0,0]=4 848 B10R1.21 ICCNCc1ccco1 bd983b5b71179f97af0b655fa1b40bbd [1,0,0,1,0,0|2,0,0]=4 849 B10R1.21 O/C=C\CNC1CCCC1 057a4f24bfbf2e64a0888ee05f6c2587 [1,0,0,1,0,0|1,0,1]=4 850 B10R1.21 OCCCNc1ccco1 4d624025932b70b0c8be48d0b7350012 [1,0,0,1,0,0|2,0,0]=4 851 B10R1.21 OCCNCc1ccco1 507ba03e75d5eda37d046de9368bba24 [1,0,0,1,0,0|2,0,0]=4 852 B10R1.21 OCNCCc1ccco1 a517e208412caca7f657ad953f1e4b62 [1,0,0,1,0,0|2,0,0]=4 853 B10R1.21 SCCCOc1ccco1 22a1a116d80173010e46f2c2d267ec66 [1,0,0,1,0,0|2,0,0]=4 854 B10R1.21 SCCNCc1ccco1 4422157518229a6c95ffdca9589320be [1,0,0,1,0,0|2,0,0]=4 855 B10R1.21 SCCOCc1ccco1 eb21d9a30652a8f888082605ebcb92a4 [1,0,0,1,0,0|2,0,0]=4 856 B10R1.29 C/C=C/CN1CCCC1C d3bf08d58af0384d01155fb1f7fbf4ca [1,0,0,1,0,0|1,0,1]=4 857 B10R1.29 C/C=C/CN1CCC[C@@H]1C ab2022e9daae23606a7974863edbe05d [1,0,0,1,0,0|1,0,1]=4 858 B10R1.29 C/C=C/CN1CCC[C@H]1C dfcb9c98d4c5504757f61629a7957123 [1,0,0,1,0,0|1,0,1]=4 859 B10R1.29 C/C=C\CN1CCCC1C c8362402d596ce5ec221abfd9ce2a8d3 [1,0,0,1,0,0|1,0,1]=4 860 B10R1.29 C/C=C\CN1CCC[C@@H]1C 5c3f6b9ff1e866f905289a8143d9b21d [1,0,0,1,0,0|1,0,1]=4 861 B10R1.29 C/C=C\CN1CCC[C@H]1C b37dd7564b2135e16d33483cf2421b28 [1,0,0,1,0,0|1,0,1]=4 862 B10R1.29 CC1CCCN1C/C=C\O 7d9998cb28706c0f6ab7029133f9417b [1,0,0,1,0,0|1,0,1]=4 863 B10R1.29 C[C@@H]1CCCN1C/C=C\O 4955652a56c166d23ce21f5e768e1233 [1,0,0,1,0,0|1,0,1]=4 864 B10R1.29 C[C@H]1CCCN1C/C=C\O b5b3fb7393e49fd9518305c22aa37596 [1,0,0,1,0,0|1,0,1]=4 865 B10R1.37 C/C=C/CN[C@@H]1CC[C@H]1C 22183f60ca2be77cffc13e8d6a2efcd7 [1,0,0,1,0,0|1,0,1]=4 866 B10R1.37 C/C=C/CN[C@H]1CC[C@H]1C 8f92c83d01c78f1e090d5f747dbdc887 [1,0,0,1,0,0|1,0,1]=4 867 B10R1.37 C/C=C\CN[C@@H]1CC[C@H]1C 6d04d50d3c78b7be93c63c198ca00e96 [1,0,0,1,0,0|1,0,1]=4 868 B10R1.37 C/C=C\CN[C@H]1CC[C@H]1C ff097506ddaaa92e208d5d2f372e01dc [1,0,0,1,0,0|1,0,1]=4 869 B10R1.37 C[C@@H]1CC[C@@H]1NC/C=C\O 52c9f93271e4b3d3102ebf6292cc4c8a [1,0,0,1,0,0|1,0,1]=4 870 B10R1.37 C[C@@H]1CC[C@H]1NC/C=C\O 7f5edb977be7c89ff49c74c81bf4774f [1,0,0,1,0,0|1,0,1]=4 871 B10R1.56 C/C=C/COCC1CC1C 3ecf0d202a20fc581b530286d26e83ad [1,0,0,1,0,0|1,0,1]=4 872 B10R1.56 C/C=C/COC[C@@H]1C[C@@H]1C b8685cd0a7e043ca65760e3a20d7a5dd [1,0,0,1,0,0|1,0,1]=4 873 B10R1.56 C/C=C/COC[C@@H]1C[C@H]1C 69a233d12fc7dc0f2229a178b8adfb9f [1,0,0,1,0,0|1,0,1]=4 874 B10R1.56 C/C=C/COC[C@H]1C[C@@H]1C 3a2a51d75d073e82f2c9050f1d7f3ac7 [1,0,0,1,0,0|1,0,1]=4 875 B10R1.56 C/C=C\COCC1CC1C 1ae87990415ecf83da78e2e08bcc33aa [1,0,0,1,0,0|1,0,1]=4 876 B10R1.56 C/C=C\COC[C@@H]1C[C@@H]1C 619aa6bac43838bcd10ee6fceed8091c [1,0,0,1,0,0|1,0,1]=4 877 B10R1.56 C/C=C\COC[C@@H]1C[C@H]1C ca63f742973fd3123c013e986b7f42ac [1,0,0,1,0,0|1,0,1]=4 878 B10R1.56 C/C=C\COC[C@H]1C[C@@H]1C aa7dd85d140ac3d3c0d51aac55cfbf0a [1,0,0,1,0,0|1,0,1]=4 879 B10R1.57 C/C=C/CNCC1CCC1 6e2c51a31b14ca1a99c9daac901d552a [1,0,0,1,0,0|1,0,1]=4 880 B10R1.57 C/C=C/COCC1CCC1 536dff0f5be04bfcb3c75a9f74eef8aa [1,0,0,1,0,0|1,0,1]=4 881 B10R1.57 C/C=C\CNCC1CCC1 4e103dc900179ed2d4023dbfcc9b412d [1,0,0,1,0,0|1,0,1]=4 882 B10R1.57 C/C=C\COCC1CCC1 e99bee2e1045190700ce2bd61b001227 [1,0,0,1,0,0|1,0,1]=4 883 B10R1.57 CC=CCNCC1CCC1 7c0841cc02cce42d451c44c8ca2e5495 [1,0,0,1,0,0|1,0,1]=4 884 B10R1.57 CC=CCOCC1CCC1 ec22647735c0cdfdecf2fb6542f136ae [1,0,0,1,0,0|1,0,1]=4 885 B10R1.57 O/C=C\CNCC1CCC1 d8c2446fc0b282a73bb40564158b5d96 [1,0,0,1,0,0|1,0,1]=4 886 B10R1.177 C/C=C/C=C/COC1CC1 5c05973d75bb24ca00604531093c8de4 [1,0,0,1,0,0|1,0,0]=3 887 B10R1.177 C/C=C/CNCCC1CC1 fd5bc64da39b54de482317183012233b [1,0,0,1,0,0|1,0,1]=4 888 B10R1.177 C/C=C/COCCC1CC1 1c463a72373ca87446cf12a7c2e7f000 [1,0,0,1,0,0|1,0,1]=4 889 B10R1.177 C/C=C\CNCCC1CC1 8bef9eb890e006fa225d5870e5bbe6f5 [1,0,0,1,0,0|1,0,1]=4 890 B10R1.177 C/C=C\COCCC1CC1 355321943cd035bc4e5f1638b361605f [1,0,0,1,0,0|1,0,1]=4 891 B10R1.177 CC=CC=CCOC1CC1 15ba2c3acdf55f16ebfa0709d613ba12 [1,0,0,1,0,0|1,0,0]=3 892 B10R1.177 CC=CCNCCC1CC1 4c4662037465f0caee231a0de4e5fdcd [1,0,0,1,0,0|1,0,1]=4 893 B10R1.177 CC=CCOCCC1CC1 055952618cd55fbf74cbe40e4256445f [1,0,0,1,0,0|1,0,1]=4 894 B10R1.177 O/C=C\CNCCC1CC1 6f01aa0a784d94fd97e0292d4360f430 [1,0,0,1,0,0|1,0,1]=4 895 B12R1.8 CCCCCNc1ccccc1 91c03911249f1a729a636c2485e854e3 [0,1,0,1,0,0|1,0,1]=4 896 B12R1.8 CCCCCNc1ccccn1 585f24212680e3bfc425e0aec0b439c2 [0,1,0,1,0,0|1,0,1]=4 897 B12R1.8 CCCCCNc1cccnc1 5fa826aa2d84f836457483e84a27413b [0,1,0,1,0,0|2,0,0]=4 898 B12R1.8 CCCCCNc1cccnn1 c04864b1ce8895901d55c47773f3319e [0,1,0,1,0,0|2,0,0]=4 899 B12R1.8 CCCCCOc1ccccn1 c51e7a702fec97dea4ed5e55e57ef936 [0,1,0,1,0,0|1,0,1]=4 900 B12R1.8 CCCCCOc1cccnc1 42835187bb2a96f147e75f8d7bf5c0be [0,1,0,1,0,0|2,0,0]=4 901 B12R1.8 CCCCNCc1ccccc1 0ab7d34979c69bc4acd6ef46bb666f9a [0,1,0,1,0,0|1,0,1]=4 902 B12R1.8 CCCCNCc1ccccn1 1dacaf15214ef41cb3c2f1c9818fbd94 [0,1,0,1,0,0|1,0,1]=4 903 B12R1.8 CCCCNCc1cccnc1 f62a7991eabce63e2457be2a93ae29e8 [0,1,0,1,0,0|2,0,0]=4 904 B12R1.8 CCCCNCc1cccnn1 e85972a339996fbc97bd1ba24951499a [0,1,0,1,0,0|2,0,0]=4 905 B12R1.8 CCCCOCC1=CCCCO1 02d51c2daa2c86596aea8a48e1133c57 [0,1,0,1,0,0|0,0,2]=4 906 B12R1.8 CCCCOCc1ccccc1 e7a2ea9d8e76018a19cac6b1863869f7 [0,1,0,1,0,0|1,0,1]=4 907 B12R1.8 CCCCOCc1ccccn1 bdbee8dba51183bb4dac05ec623e6fd7 [0,1,0,1,0,0|1,0,1]=4 908 B12R1.8 CCCCOCc1cccnc1 e919bcaf101899d0377d8f05c8edc329 [0,1,0,1,0,0|2,0,0]=4 909 B12R1.8 CCCCOCc1cccnn1 f5a5f583818e14143d6d5833cfd5183e [0,1,0,1,0,0|2,0,0]=4 910 B12R1.8 CCCNCCc1ccccc1 de4634a5b10be0583379bf36a55fd975 [0,1,0,1,0,0|1,0,1]=4 911 B12R1.8 CCCNCCc1ccccn1 db4179a8136b988593f56bef0e41421d [0,1,0,1,0,0|1,0,1]=4 912 B12R1.8 CCCNCCc1cccnc1 1e462df2b0ae672e64302eccd1ccbf55 [0,1,0,1,0,0|2,0,0]=4 913 B12R1.8 CCCOCCc1ccccc1 6ff048bac0fc069e37a7f6359e53917a [0,1,0,1,0,0|1,0,1]=4 914 B12R1.8 CCCOCCc1ccccn1 495b2e5857432868e8dc4db07751a420 [0,1,0,1,0,0|1,0,1]=4 915 B12R1.8 CCCOCCc1cccnc1 04113a7c0c0fc7a249f8441dcdeb4b99 [0,1,0,1,0,0|2,0,0]=4 916 B12R1.8 CCNCCCc1ccccc1 b7715a69dd85035a729bcc3298689ab5 [0,1,0,1,0,0|1,0,1]=4 917 B12R1.8 CCNCCCc1ccccn1 048a807537b42fb54187509210f6e12c [0,1,0,1,0,0|1,0,1]=4 918 B12R1.8 CCNCCCc1cccnc1 3373f8695160430ad61e1df554bf48e4 [0,1,0,1,0,0|2,0,0]=4 919 B12R1.8 CCOCCCC1=CCC=CC1 c736e524db2f6bc6d387404d01ab523e [0,1,0,1,0,0|1,0,1]=4 920 B12R1.8 CCOCCCc1ccccc1 95c4d5e38aabc377fa248d955f0dc679 [0,1,0,1,0,0|1,0,1]=4 921 B12R1.8 CCOCCCc1ccccn1 859085eeaedc4a3c650b307e46d76a73 [0,1,0,1,0,0|1,0,1]=4 922 B12R1.8 CCOCCCc1cccnc1 5173637fbf4b8276cf79cd9d0837d422 [0,1,0,1,0,0|2,0,0]=4 923 B12R1.8 COCOCC=C1CCCCC1 781ffea680b3afa3ce0dc0794fe1a8b6 [0,1,0,1,0,0|1,0,1]=4 924 B12R1.37 CCCCCCNc1ccco1 968a4d53efe53ed5a3a5c1a565e3ec23 [0,1,0,1,0,0|0,0,2]=4 925 B12R1.37 CCCCCCNc1ccno1 3513a7e9da93e433db06c4f2c4f23f00 [0,1,0,1,0,0|1,0,1]=4 926 B12R1.37 CCCCCCOc1ccco1 8cfc09f94ff03b23af7786a6374c9abc [0,1,0,1,0,0|0,0,2]=4 927 B12R1.37 CCCCCNCc1ccco1 0d2a7e7994936d84447dd28ebeebbe81 [0,1,0,1,0,0|0,0,2]=4 928 B12R1.37 CCCCCNCc1ccno1 8936603c4772481516f5f4e7b548e1ee [0,1,0,1,0,0|1,0,1]=4 929 B12R1.37 CCCCCOCc1ccco1 557c89e123001911e56b3421696ebf11 [0,1,0,1,0,0|0,0,2]=4 930 B12R1.37 CCCCCOCc1ccno1 c4a8f9f3f62109a63497f8b181cfe734 [0,1,0,1,0,0|1,0,1]=4 931 B12R1.37 CCCCNCCc1ccco1 f1a6e7bef760ebee5097e21f3ac2dc8c [0,1,0,1,0,0|0,0,2]=4 932 B12R1.37 CCCCOCCc1ccco1 fbd46e274ee803351ace623e362366aa [0,1,0,1,0,0|0,0,2]=4 933 B12R1.37 CCCCOCNc1ccno1 4c77bd523314373191c3a0cf5e9a8705 [0,1,0,1,0,0|2,0,0]=4 934 B12R1.37 CCCCOCOc1ccco1 37b5cb0df1be3d07e3423079c32f51cf [0,1,0,1,0,0|1,0,1]=4 935 B12R1.37 CCCNCCCc1ccco1 e946fe96bad1891961df03e2504913dd [0,1,0,1,0,0|0,0,2]=4 936 B12R1.37 CCCOCCCc1ccco1 9ac4b1617711b1fd2f4c01a3eb503ef4 [0,1,0,1,0,0|0,0,2]=4 937 B12R1.37 CCCOCCNc1ccco1 8d68c5300e47b2038abfedbfe4d962a8 [0,1,0,1,0,0|1,0,1]=4 938 B12R1.37 CCCOCCNc1ccno1 55395b2b10c34bb4eae6e98245b940af [0,1,0,1,0,0|2,0,0]=4 939 B12R1.37 CCCOCCOc1ccco1 6e5594438d3b11a273cfad0fca0a5c12 [0,1,0,1,0,0|1,0,1]=4 940 B12R1.37 CCOCCCNc1ccco1 a0f55163af793cdce97bc53d43246cbe [0,1,0,1,0,0|1,0,1]=4 941 B12R1.37 CCOCCCNc1ccno1 49e97b5f0decd4c17d2213314f842f8a [0,1,0,1,0,0|2,0,0]=4 942 B12R1.37 CCOCCCOc1ccco1 483a4ea87e24f62e80b59024bc4e2c12 [0,1,0,1,0,0|1,0,1]=4 943 B12R1.37 CCSCCCNc1ccno1 ec980aa87551b81d48d5a10e49bd9502 [0,1,0,1,0,0|2,0,0]=4 944 B12R1.37 CCSCCCOc1ccco1 429e9f0ba3449bc18e5902b2f7d367e7 [0,1,0,1,0,0|1,0,1]=4 945 B12R1.37 COCCCCNc1ccco1 8583168a7388f1e4de7508379a044749 [0,1,0,1,0,0|1,0,1]=4 946 B12R1.37 COCCCCNc1ccno1 4b5a5d7b59f6ce3a15e965a69a4ab48f [0,1,0,1,0,0|2,0,0]=4 947 B12R1.37 COCCCCOc1ccco1 8ae68e11cd9a5365d07e7cd515462634 [0,1,0,1,0,0|1,0,1]=4 948 B12R1.37 CSCCCCNc1ccco1 aa4e809c87c093ed87de940e9d669ad4 [0,1,0,1,0,0|1,0,1]=4 949 B12R1.37 ClCCCCCNc1ccco1 26e3b4b29d7d715b2446401bef315908 [0,1,0,1,0,0|1,0,1]=4 950 B12R1.37 ClCCCCCNc1ccno1 8e2d915000c4d2ad9dfaeccfef986733 [0,1,0,1,0,0|2,0,0]=4 951 B12R1.37 FCCCCCNc1ccno1 fd8fc9c79de21b17994d23c6a347f1d1 [0,1,0,1,0,0|2,0,0]=4 952 B12R1.37 FCCCCCOc1ccco1 96bdcddab9c00c7de8e25fc7de70ff24 [0,1,0,1,0,0|1,0,1]=4 953 B12R1.37 OCCCCCNc1ccco1 0eb7973a95598c1a9349744b06c91ec5 [0,1,0,1,0,0|1,0,1]=4 954 B12R1.37 OCCCCCNc1ccno1 e79926624b19f4fb83b81d42184061fa [0,1,0,1,0,0|2,0,0]=4 955 B12R1.45 CCCCCN1CC=CC1CO 03401c20c810423096265cc6dbe8e832 [0,1,0,1,0,0|0,0,2]=4 956 B12R1.45 CCCCNc1ccsc1CC e7279808ae1c03b84f426620fdc73c2c [0,1,0,1,0,0|2,0,0]=4 957 B12R1.45 CCCCNc1ccsc1CO 339b49013244cbe0afa00bf6b51dced2 [0,1,0,1,0,0|1,0,0]=3 958 B12R1.45 CCCCNc1sccc1CC fb15f59f5b5e64f05020e287d94fae1d [0,1,0,1,0,0|2,0,0]=4 959 B12R1.45 CCCCNc1sccc1CO 32d3d3f727c7432b184225e0c720debe [0,1,0,1,0,0|1,0,0]=3 960 B12R1.45 CCCCNc1scnc1CO 5c2a565187fae6b31cf0450f3d91f2bd [0,1,0,1,0,0|2,0,0]=4 961 B12R1.45 COCCNc1ccsc1CO b74d62246499584b14b2eedee6599958 [0,1,0,1,0,0|2,0,0]=4 962 B12R1.45 COCCNc1sccc1CO 55247508a8b0ea76454cd099212fa46c [0,1,0,1,0,0|2,0,0]=4 963 B12R1.45 CSCCNc1ccsc1CO a5c1c067ae341b0c0e0620e9c0bd530c [0,1,0,1,0,0|2,0,0]=4 964 B12R1.45 CSCCNc1sccc1CO 0ae843967ad68e2c7c19ea79b41dbb7f [0,1,0,1,0,0|2,0,0]=4 965 B12R1.45 OCCCNc1ccoc1CO a0e28b973ac02efa8203e9aba7be4072 [0,1,0,1,0,0|2,0,0]=4 966 B12R1.45 OCCCNc1ccsc1CO ba69572ed41844e1d6a475c6f6168696 [0,1,0,1,0,0|2,0,0]=4 967 B12R1.45 OCCCNc1sccc1CO d0b46d255fa70dfd4af95f7fe7f23bff [0,1,0,1,0,0|2,0,0]=4 968 B12R1.45 OCc1ccsc1NCCCCl ef6666c925a5eab6a2553b6a105704fa [0,1,0,1,0,0|2,0,0]=4 969 B12R1.45 OCc1occc1NCCCCl 3fe26883e0b3d529bebb82bc5ba1c971 [0,1,0,1,0,0|2,0,0]=4 970 B12R1.45 OCc1sccc1NCCCCl 34eb43aa971fbc2b2677649e54fe9fd6 [0,1,0,1,0,0|2,0,0]=4 971 B12R1.45 OCc1sccc1NCCCF e5dd20842d1a8a5a57de0718afe7dced [0,1,0,1,0,0|2,0,0]=4 972 B12R1.45 OCc1sccc1NCCCS e2d8540250cc49f810fb12e2d702210f [0,1,0,1,0,0|2,0,0]=4 973 B12R1.121 CCCNc1ccccc1CO ac2795b4df2d626601005eabc51f6f17 [0,1,0,1,0,0|0,0,2]=4 974 B12R1.121 CCCNc1cccnc1CO 17571d66ac790f0086819942b8bcc724 [0,1,0,1,0,0|1,0,1]=4 975 B12R1.121 CCCNc1ccncc1CO a1bf00c957be360c1a7bd63bc63e6e12 [0,1,0,1,0,0|1,0,1]=4 976 B12R1.121 CCCNc1cnccc1CO 4198ecb079b277e88824ac4c79107e3a [0,1,0,1,0,0|1,0,1]=4 977 B12R1.121 CCCNc1ncccc1CO a8af533cc54a3419acf39afdb09a57ed [0,1,0,1,0,0|1,0,1]=4 978 B12R1.121 CCNCc1ccccc1CO 247e788b2f72e3b7b5034ac1bbd368e6 [0,1,0,1,0,0|0,0,2]=4 979 B12R1.320 CCCCn1nccc1NCO bc6d7f5c9e0e5fe5f4e70855e03d0949 [0,1,0,1,0,0|2,0,0]=4 980 B12R1.329 COCNC1/C=C\CCCCC1 d63d942ba57ba2828a2aa6698107d7b9 [0,1,0,1,0,0|1,0,1]=4 981 B12R1.329 COCOC1/C=C/CCCCC1 c31617f7223acaa5e0ab7f40cb3e9bcb [0,1,0,1,0,0|1,0,1]=4 982 B12R1.329 COCOC1/C=C\CCCCC1 2241f2f8566900adfd09c26fcecb914d [0,1,0,1,0,0|1,0,1]=4 983 B12R1.329 COCOC1C=CCCCCC1 9c59295964c0415d4fc7489d4c0a719e [0,1,0,1,0,0|1,0,1]=4 984 B12R1.329 COCO[C@H]1/C=C/CCCCC1 54408afc0ce727195783bc0add6ecc67 [0,1,0,1,0,0|1,0,1]=4 985 B12R1.329 COCO[C@H]1/C=C\CCCCC1 2cbe9b42675e7a96618457398eb2437c [0,1,0,1,0,0|1,0,1]=4 986 B12R1.329 OCCNC1/C=C\CCCCC1 5e53c95ad823378c02ded4cfa121cdfa [0,1,0,1,0,0|0,0,2]=4 987 B12R1.372 CCCCCNc1cccn1C fa6ba3dc89046e2bb975f0c7b0942de8 [0,1,0,1,0,0|2,0,0]=4 988 B12R1.372 CCCCCNc1oncc1C 62144299082f683bfd4b6a26bd24a4ab [0,1,0,1,0,0|2,0,0]=4 989 B12R1.372 CCCCCOc1cccn1C 9b50b6516b4125c7b5ce8c981bc7ca14 [0,1,0,1,0,0|2,0,0]=4 990 B12R1.372 CCCCNCc1cccn1C 3ee985f14e03ef5085094e7129b98c7a [0,1,0,1,0,0|2,0,0]=4 991 B12R1.372 CCCCOCc1cccn1C 94650476b22561e4a7e6212ffa8a2bc0 [0,1,0,1,0,0|2,0,0]=4 992 B12R1.372 CCCNCCc1cccn1C a20b0f41baf2736a90c32f73b6ca7b1b [0,1,0,1,0,0|2,0,0]=4 993 B12R1.372 CCCOCCc1cccn1C 0e23dcefc59cfb0494cfa22b79032441 [0,1,0,1,0,0|2,0,0]=4 994 B12R1.375 CCC/C=C/C=C/COC1CC1 1fa70a4fa540747fbc4b7608d8ebb85b [0,1,0,1,0,0|2,0,0]=4 995 B12R1.28 CCCCCN1CC=CC(C1)O 1d371ec20e7dcbdb29c750d7a985c3be [0,1,0,1,0,0|1,0,1]=4 996 B12R1.51 CCCC(C)CNc1ccno1 e4ec2216889f9e5a92106334dc12bf14 [0,1,0,1,0,0|2,0,0]=4 997 B12R1.51 CCCC(C)COc1ccco1 34efdae75d957bce0bf87430fb46fa04 [0,1,0,1,0,0|1,0,1]=4 998 B12R1.51 CCCC(O)CNc1ccco1 e2a6210d9baeb98f530925920f809517 [0,1,0,1,0,0|1,0,1]=4 999 B12R1.340 CCCCn1ccc(n1)NCO 638eb399feb902e0753a838bbe56d529 [0,1,0,1,0,0|2,0,0]=4 1000 B12R1.1 CCCCOC1C=CC(=O)CO1 132d4b716978c554094659f0597a4cd9 [0,1,0,1,0,0|1,0,1]=4 1001 B12R1.7 CCCCCN[C@@H]1C=C[C@@H](C1)O 824954210b2ef58400f37f0d1cabfdf0 [0,1,0,1,0,0|1,0,1]=4 1002 B12R1.7 CCCCCN[C@H]1C=C[C@H](C1)O f831e8cc0e52877cded79a9160b7dac1 [0,1,0,1,0,0|1,0,1]=4 1003 B12R1.7 CCCCCNc1cc(=O)[nH]o1 1713f8034c945e27296a1903020c06cb [0,1,0,1,0,0|2,0,0]=4 1004 B12R1.7 CCCCCNc1cc(no1)C ee9d673bbef2526825007252e053ff70 [0,1,0,1,0,0|2,0,0]=4 1005 B12R1.7 CCCCCNc1ccc(o1)C a7aeddbdd227bf7fafaba51e488e2748 [0,1,0,1,0,0|1,0,1]=4 1006 B12R1.7 CCCCCOC1=CC(=O)CC1 2984e20894b01b349c191501961a2c92 [0,1,0,1,0,0|2,0,0]=4 1007 B12R1.382 CCCNc1cccc(c1)CO b9bfec98c4c18aa7e2b2505fe0f0fa2f [0,1,0,1,0,0|1,0,1]=4 1008 B12R1.382 CCCNc1cccc(n1)CO 20e10daa2e6e02473de484760c51f2ed [0,1,0,1,0,0|1,0,1]=4 1009 B12R1.382 CCNCc1cccc(c1)CO b99393bf72a32cd83525a4c7f2eb0594 [0,1,0,1,0,0|1,0,1]=4 1010 B12R1.382 CCNCc1cccc(n1)CO 77e7ed503dc3be81e358d960a5a7cc52 [0,1,0,1,0,0|1,0,1]=4 1011 B12R1.455 CCCCNc1ccc(o1)CC fd0f23b09269b5bc70d90d35b7de8bb8 [0,1,0,1,0,0|2,0,0]=4 1012 B12R1.455 CCCCNc1ccc(o1)CO a65b98df55866d7f022d9210a7b612a3 [0,1,0,1,0,0|1,0,0]=3 1013 B12R1.455 CCCCNc1ccc(s1)CC 5384532ac71d06ea1865cd97e678890b [0,1,0,1,0,0|2,0,0]=4 1014 B12R1.455 CCCCNc1ccc(s1)CO 1418c4924dbcafb32415103268efac51 [0,1,0,1,0,0|1,0,0]=3 1015 B12R1.455 CCCCNc1ccn(n1)CO ba0b5ce6dae0bb139a54a6a70c06843a [0,1,0,1,0,0|2,0,0]=4 1016 B12R1.455 CCCCNc1cnc(s1)CO 6d4b1b90fca8bd27a238b41df4f99bdb [0,1,0,1,0,0|2,0,0]=4 1017 B12R1.455 CCCCNc1nc(co1)CO 67816de9f44257d0a17f7d14c8963ea0 [0,1,0,1,0,0|2,0,0]=4 1018 B12R1.455 CCCCNc1nc(cs1)CO 0810507d0a1e9fdfc6655533b03332bd [0,1,0,1,0,0|2,0,0]=4 1019 B12R1.455 CCCCNc1ncc(s1)CO 9eaeb4fffd2dec9620c08b025e893172 [0,1,0,1,0,0|2,0,0]=4 1020 B12R1.455 CCCNCc1ccc(o1)CO 07f5eb0ca62a84324aaddc8dd8738e45 [0,1,0,1,0,0|1,0,0]=3 1021 B12R1.455 CCCNCc1coc(c1)CO 8e39fc1f81a69df18039919feed32d0b [0,1,0,1,0,0|2,0,0]=4 1022 B12R1.455 CCCOCc1ccc(s1)CC 37d20b939d1198f768a1d262b8303c33 [0,1,0,1,0,0|2,0,0]=4 1023 B12R1.455 COCCNc1ccc(o1)CO 52237305e1749e90c8f082689129f0cf [0,1,0,1,0,0|2,0,0]=4 1024 B12R1.455 COCCNc1ccc(s1)CO 110a9a466477c1f077c48e5ad4751c58 [0,1,0,1,0,0|2,0,0]=4 1025 B12R1.455 COCNCc1ccc(o1)CO f2cff68e7279f619fe3776b98776adaa [0,1,0,1,0,0|2,0,0]=4 1026 B12R1.455 CSCCNc1ccc(o1)CO fc193563fef757508ab694fb5d2a7c7b [0,1,0,1,0,0|2,0,0]=4 1027 B12R1.455 CSCCNc1ccc(s1)CO a0089c284ea0d813a9b29752341ea890 [0,1,0,1,0,0|2,0,0]=4 1028 B12R1.455 CSCNCc1ccc(o1)CO f1d8963ac2e9f36d95c160bd27090cd1 [0,1,0,1,0,0|2,0,0]=4 1029 B12R1.455 OCCCNc1ccc(o1)CO a6565e03417c12a12a8208bca6c2e0f3 [0,1,0,1,0,0|2,0,0]=4 1030 B12R1.455 OCCCNc1ccc(s1)CO 59d434e80293c1dfee38c68c9a31f3b2 [0,1,0,1,0,0|2,0,0]=4 1031 B12R1.455 OCCNCc1ccc(o1)CO 1129ac3e2abd47b933bf9536dd27e36a [0,1,0,1,0,0|2,0,0]=4 1032 B12R1.455 OCc1ccc(o1)CNCCF 72913ecf0ac1fac889189fbff17dd54f [0,1,0,1,0,0|2,0,0]=4 1033 B12R1.455 OCc1ccc(o1)CNCCS 0dabca3bba6e00a390b44ff4aaa3605e [0,1,0,1,0,0|2,0,0]=4 1034 B12R1.455 OCc1ccc(o1)NCCCCl 0663dd078a80a467c17d52f8dee16889 [0,1,0,1,0,0|2,0,0]=4 1035 B12R1.455 OCc1ccc(s1)NCCCCl 62a889a996560e91011112b33748f6e0 [0,1,0,1,0,0|2,0,0]=4 1036 B12R1.477 CCC(C)CCNc1ccno1 7a8ea0ec15bf89de26a6b9b250f86ca1 [0,1,0,1,0,0|2,0,0]=4 1037 B12R1.477 CCC(C)CCOc1ccco1 c6b91cea160d9e5c81a3d54aee79627b [0,1,0,1,0,0|1,0,1]=4 1038 B12R1.30 O=C(/C=C/CO)N1CCCOC1 ee5c97300a58a85c8b02d057b1f03c04 [0,1,0,1,0,0|2,0,0]=4 1039 B12R1.30 O=C(/C=C/CO)N1CCCSC1 a2a1bb58a18af3f40ae7a81a63853edd [0,1,0,1,0,0|2,0,0]=4 1040 B12R1.30 O=C(/C=C/CO)N1CCOCC1 a9e1e66e91b42c6d163434d6b0c01da5 [0,1,0,1,0,0|2,0,0]=4 1041 B12R1.30 O=C(/C=C/CO)N1CCSCC1 57086a15ae227f99345cef7f544156ad [0,1,0,1,0,0|2,0,0]=4 1042 B12R1.30 O=C(C=CCO)N1CCCOC1 11e664189ee5da3acf9ba81db517994d [0,1,0,1,0,0|2,0,0]=4 1043 B12R1.30 O=C(C=CCO)N1CCCSC1 6987d7b2c158bab8a0625fb0c0c35238 [0,1,0,1,0,0|2,0,0]=4 1044 B12R1.30 O=C(C=CCO)N1CCOCC1 d1f0b88b01842b7a1b54d79fb3b022b1 [0,1,0,1,0,0|2,0,0]=4 1045 B12R1.30 O=C(C=CCO)N1CCSCC1 07cefb411f37e5bfe4318963c262d117 [0,1,0,1,0,0|2,0,0]=4 1046 B12R1.53 CC/C=C/C(=O)NC1CCCC1 393284ab45f2e29df9e94568e31c02a5 [0,1,0,1,0,0|2,0,0]=4 1047 B12R1.53 CC/C=C\C(=O)NC1CCCC1 f65ac714b5af12ce3fcb0a3ab2c8f0fd [0,1,0,1,0,0|2,0,0]=4 1048 B12R1.53 CCC=CC(=O)NC1CCCC1 cf24c8fe0ebe3fcdfcca6304842e550d [0,1,0,1,0,0|2,0,0]=4 1049 B12R1.53 CCCCC(C)Nc1ccno1 34ba4eb5bde0fa50c9b542178c6397fb [0,1,0,1,0,0|2,0,0]=4 1050 B12R1.53 CCCCC(C)Oc1ccco1 37f4ae59a8501011f3ce808962ff21c7 [0,1,0,1,0,0|1,0,1]=4 1051 B12R1.53 O=C(/C=C/CF)NC1CCCC1 b095521e18f763a18e110b6b020b276a [0,1,0,1,0,0|2,0,0]=4 1052 B12R1.53 O=C(/C=C/CO)NC1CCCC1 8562f4d328074233408a146c3ca0480f [0,1,0,1,0,0|1,0,0]=3 1053 B12R1.53 O=C(/C=C/CO)NC1CCOC1 115d397ae81af2c778477d83aedae9ec [0,1,0,1,0,0|2,0,0]=4 1054 B12R1.53 O=C(/C=C/CO)NC1CCSC1 5624abe6fcaa3691c308dbf51b8f1128 [0,1,0,1,0,0|2,0,0]=4 1055 B12R1.53 O=C(/C=C/CO)N[C@@H]1CCOC1 a5f9d13f958c48e0ca0dd81b12762a02 [0,1,0,1,0,0|2,0,0]=4 1056 B12R1.53 O=C(/C=C/CO)N[C@H]1CCOC1 3bc40cae27f0865a11f5ab7be920b0d9 [0,1,0,1,0,0|2,0,0]=4 1057 B12R1.53 O=C(C=CCO)NC1CCCC1 1c823d281c7ad2c082fa8150002d9b7c [0,1,0,1,0,0|1,0,0]=3 1058 B12R1.53 O=C(C=CCO)NC1CCOC1 bd80f11817f2801c49699c75d92e8418 [0,1,0,1,0,0|2,0,0]=4 1059 B12R1.53 O=C(C=CCO)NC1CCSC1 eb829d413398911a0b40590ced65ca69 [0,1,0,1,0,0|2,0,0]=4 1060 B12R1.53 O=C(C=CCO)N[C@@H]1CCOC1 25ad5b3e8ce5b978571fac6f3f24ce5a [0,1,0,1,0,0|2,0,0]=4 1061 B12R1.53 O=C(C=CCO)N[C@H]1CCOC1 0d4ad58dd9492328a2890eda3ef7e8e3 [0,1,0,1,0,0|2,0,0]=4 1062 B12R1.460 CC/C=C/C(=O)N1CCCC1C e81646c1f1a56013df6bf04031b42854 [0,1,0,1,0,0|2,0,0]=4 1063 B12R1.460 CC/C=C/C(=O)N1CCC[C@@H]1C 6d626cadebb4d7fc273a8a170c4749fc [0,1,0,1,0,0|2,0,0]=4 1064 B12R1.460 CC/C=C/C(=O)N1CCC[C@H]1C d35c103b5406240ce606880a7fdf9932 [0,1,0,1,0,0|2,0,0]=4 1065 B12R1.460 CC/C=C\C(=O)N1CCCC1C 901d2f4196b3ffebaa05d02e9660c60e [0,1,0,1,0,0|2,0,0]=4 1066 B12R1.460 CC/C=C\C(=O)N1CCC[C@@H]1C 4a99dfae052a3aaa73d5620c7505137b [0,1,0,1,0,0|2,0,0]=4 1067 B12R1.460 CC/C=C\C(=O)N1CCC[C@H]1C 7ba6a6697bb64c1de0689192454f19a5 [0,1,0,1,0,0|2,0,0]=4 1068 B12R1.460 CC1CCCN1C(=O)/C=C/CF 8ce2079de592e297ec6720087800b26d [0,1,0,1,0,0|2,0,0]=4 1069 B12R1.460 CC1CCCN1C(=O)/C=C/CO dfbf823867356900f1fc0873862e664d [0,1,0,1,0,0|1,0,0]=3 1070 B12R1.460 CC1CCCN1C(=O)C=CCO b3a585a1076ccdd9f2ca727f693fcdc7 [0,1,0,1,0,0|1,0,0]=3 1071 B12R1.460 CC1SCCN1C(=O)/C=C/CO c52129c83f06c7a554e1a1814c711dd1 [0,1,0,1,0,0|2,0,0]=4 1072 B12R1.460 CC1SCCN1C(=O)C=CCO 8fa0788cceb1afdda9550e134e02d396 [0,1,0,1,0,0|2,0,0]=4 1073 B12R1.460 CCC=CC(=O)N1CCCC1C 5291beeb801efac51f7768c85ef354b1 [0,1,0,1,0,0|2,0,0]=4 1074 B12R1.460 CCC=CC(=O)N1CCC[C@@H]1C 5da4e4af3913a5ec7c24fa3be9b69646 [0,1,0,1,0,0|2,0,0]=4 1075 B12R1.460 CCC=CC(=O)N1CCC[C@H]1C 72f867dd1dacb31afd050aa389f06152 [0,1,0,1,0,0|2,0,0]=4 1076 B12R1.460 C[C@@H]1CCCN1C(=O)/C=C/CF 824bdfa73ae99f829b04f5e68c2e0241 [0,1,0,1,0,0|2,0,0]=4 1077 B12R1.460 C[C@@H]1CCCN1C(=O)/C=C/CO 900ec31e35ef8b06bc2f1148a5499246 [0,1,0,1,0,0|1,0,0]=3 1078 B12R1.460 C[C@@H]1CCCN1C(=O)C=CCO 77defca53482a1b95efd61e2a3437229 [0,1,0,1,0,0|1,0,0]=3 1079 B12R1.460 C[C@H]1CCCN1C(=O)/C=C/CF ca152e40fe74b54c7c0fde0824e06abb [0,1,0,1,0,0|2,0,0]=4 1080 B12R1.460 C[C@H]1CCCN1C(=O)/C=C/CO 3bb39db8b734c116a8bdf15e092fbc04 [0,1,0,1,0,0|1,0,0]=3 1081 B12R1.460 C[C@H]1CCCN1C(=O)C=CCO b4d522b521bbc8c6ab1081a43c22f247 [0,1,0,1,0,0|1,0,0]=3 1082 B12R1.460 O=C(/C=C/CO)N1CCCC1O 106e141125a88e2d3d4db3897915e184 [0,1,0,1,0,0|2,0,0]=4 1083 B12R1.460 O=C(C=CCO)N1CCCC1O f93bdd0600ffc45fdf17e7bc17ad2434 [0,1,0,1,0,0|2,0,0]=4 1084 B12R1.461 CC/C=C/C(=O)N1CCC1CC 70427b82f2b4407804895bc42e87a013 [0,1,0,1,0,0|2,0,0]=4 1085 B12R1.461 CC/C=C\C(=O)N1CCC1CC f85ca426973876f2b0029848132d58df [0,1,0,1,0,0|2,0,0]=4 1086 B12R1.461 CCC1CCN1C(=O)/C=C/CF e6236cf946652d97a7e6c15000240b18 [0,1,0,1,0,0|2,0,0]=4 1087 B12R1.461 CCC1CCN1C(=O)/C=C/CO 09a3d32dbd04063de7c13e89ca0cccf9 [0,1,0,1,0,0|1,0,0]=3 1088 B12R1.461 CCC1CCN1C(=O)C=CCO 06a5449ce0d4844190b0e338a89f386a [0,1,0,1,0,0|1,0,0]=3 1089 B12R1.461 CCC=CC(=O)N1CCC1CC db4060805db57714166885a24e56490c [0,1,0,1,0,0|2,0,0]=4 1090 B12R1.461 O=C(/C=C/CO)N1CCC1CO e4250a4837ee6731379c23fb0e7bd98b [0,1,0,1,0,0|2,0,0]=4 1091 B12R1.461 O=C(/C=C/CO)N1CC[C@@H]1CO 5c4344b1eb5694f2b5dab754cc783421 [0,1,0,1,0,0|2,0,0]=4 1092 B12R1.461 O=C(/C=C/CO)N1CC[C@H]1CO 95f0743ff36864e1155bfb4d653e4795 [0,1,0,1,0,0|2,0,0]=4 1093 B12R1.461 O=C(C=CCO)N1CCC1CO a7a2fc9d216c4b7ef24b06075cc2bac4 [0,1,0,1,0,0|2,0,0]=4 1094 B12R1.461 O=C(C=CCO)N1CC[C@@H]1CO e9999ac546f32daccbac1a57c2e5d200 [0,1,0,1,0,0|2,0,0]=4 1095 B12R1.461 O=C(C=CCO)N1CC[C@H]1CO 49574d946d8dd100d18b40a6fd0d5530 [0,1,0,1,0,0|2,0,0]=4 1096 B12R1.463 CC/C=C/C(=O)NCC1CCC1 ce01aa70b5b09e482e89420fc78c3afc [0,1,0,1,0,0|2,0,0]=4 1097 B12R1.463 CC/C=C\C(=O)NCC1CCC1 d564b48c6000e143a9e1d48a73800a15 [0,1,0,1,0,0|2,0,0]=4 1098 B12R1.463 CCC=CC(=O)NCC1CCC1 a25507352476ae9c41f0a793337e89ec [0,1,0,1,0,0|2,0,0]=4 1099 B12R1.463 O=C(/C=C/CF)NCC1CCC1 b0312f5036cf95dd61ae951830f46e2d [0,1,0,1,0,0|2,0,0]=4 1100 B12R1.463 O=C(/C=C/CO)NCC1CCC1 1a0e2f7bb2efbbcfc4ad39574388b0b6 [0,1,0,1,0,0|1,0,0]=3 1101 B12R1.463 O=C(/C=C/CO)NCC1CCO1 c6caaf6a494df47f34c63b9a89ab2b9f [0,1,0,1,0,0|2,0,0]=4 1102 B12R1.463 O=C(/C=C/CO)NCC1COC1 093f613bf5c6989220177d41059ba867 [0,1,0,1,0,0|2,0,0]=4 1103 B12R1.463 O=C(/C=C/CO)NC[C@@H]1CCO1 a810a4a3cd1dc8cf601af4bf5fdd726d [0,1,0,1,0,0|2,0,0]=4 1104 B12R1.463 O=C(/C=C/CO)NC[C@H]1CCO1 60eb0fc57c06261d06f7ac4b6d8e05d5 [0,1,0,1,0,0|2,0,0]=4 1105 B12R1.463 O=C(C=CCO)NCC1CCC1 ad62050aa49b490b838e626993ea0d19 [0,1,0,1,0,0|1,0,0]=3 1106 B12R1.463 O=C(C=CCO)NCC1CCO1 858a3e828a53c20874ce5a4a243f561b [0,1,0,1,0,0|2,0,0]=4 1107 B12R1.463 O=C(C=CCO)NCC1COC1 aa606c5f3bb65557d596d6c3fde300a5 [0,1,0,1,0,0|2,0,0]=4 1108 B12R1.463 O=C(C=CCO)NC[C@@H]1CCO1 0535846818fa98bd550ea673fa11423f [0,1,0,1,0,0|2,0,0]=4 1109 B12R1.463 O=C(C=CCO)NC[C@H]1CCO1 577c0a647a408405dcbec40bb8a7c7e0 [0,1,0,1,0,0|2,0,0]=4 1110 B12R1.464 CC/C=C/C(=O)NCCC1CC1 0a01a6cb7d73f0172de7529d40696d94 [0,1,0,1,0,0|2,0,0]=4 1111 B12R1.464 CC/C=C\C(=O)NCCC1CC1 950560d23f81ce4c4bd6fa6e19ff8090 [0,1,0,1,0,0|2,0,0]=4 1112 B12R1.464 CCC=CC(=O)NCCC1CC1 678f54cf44374fefe0de456fcd600ba1 [0,1,0,1,0,0|2,0,0]=4 1113 B12R1.464 O=C(/C=C/CF)NCCC1CC1 f70b8950d5909536d542357d2c007a19 [0,1,0,1,0,0|2,0,0]=4 1114 B12R1.464 O=C(/C=C/CO)NCCC1CC1 26d7654d8d0cfb8b2949d7987124b14c [0,1,0,1,0,0|1,0,0]=3 1115 B12R1.464 O=C(/C=C/CO)NCCN1CC1 fabb7201f80fa72e15da171e4e9c6d17 [0,1,0,1,0,0|2,0,0]=4 1116 B12R1.464 O=C(C=CCO)NCCC1CC1 13043d087e25004dafa80732cf2e9a3c [0,1,0,1,0,0|1,0,0]=3 1117 B12R1.464 O=C(C=CCO)NCCN1CC1 1f7792ab721e8bd7a2550b6a48d9a8b1 [0,1,0,1,0,0|2,0,0]=4 1118 B12R1.466 CO[C@H]1C[C@H]1NC(=O)/C=C/CO 5e2f713930bc387745656e86da69c9ff [0,1,0,1,0,0|2,0,0]=4 1119 B12R1.466 CO[C@H]1C[C@H]1NC(=O)C=CCO d2b21b73a3378b7e07fcad9118cdd477 [0,1,0,1,0,0|2,0,0]=4 1120 B12R1.466 O=C(/C=C/CO)N[C@@H]1C[C@H]1CO e9933aec3e4e3fba24f02e5ca282f26f [0,1,0,1,0,0|2,0,0]=4 1121 B12R1.466 O=C(/C=C/CO)N[C@H]1C[C@@H]1CO 56781d51deedb5d298568e171e11f098 [0,1,0,1,0,0|2,0,0]=4 1122 B12R1.466 O=C(/C=C/CO)N[C@H]1C[C@H]1CO a3d17548427723b5209333a97504c6be [0,1,0,1,0,0|2,0,0]=4 1123 B12R1.466 O=C(C=CCO)N[C@@H]1C[C@H]1CO 1c11ee279e09987ac494c463d82b21ac [0,1,0,1,0,0|2,0,0]=4 1124 B12R1.466 O=C(C=CCO)N[C@H]1C[C@@H]1CO 0454e076b1a37a3bc452275cd0012c0d [0,1,0,1,0,0|2,0,0]=4 1125 B12R1.466 O=C(C=CCO)N[C@H]1C[C@H]1CO c301640f95c32c043a67d776e0361170 [0,1,0,1,0,0|2,0,0]=4 1126 B12R1.561 CCCCCNC(=O)C1=CCC1 305b0e98d80709897bda56158ea16cd8 [0,1,0,1,0,0|2,0,0]=4 1127 B12R1.925 CC/C=C/C(=O)N[C@@H]1CC[C@H]1C abfcd3346c7c5d7a797c1824cd65e6d5 [0,1,0,1,0,0|2,0,0]=4 1128 B12R1.925 CC/C=C/C(=O)N[C@H]1CC[C@H]1C 21b937f5871a6739db0637828acda0d9 [0,1,0,1,0,0|2,0,0]=4 1129 B12R1.925 CC/C=C\C(=O)N[C@@H]1CC[C@H]1C 800ecbfc8dd45a1fb1263d50f4f147c3 [0,1,0,1,0,0|2,0,0]=4 1130 B12R1.925 CC/C=C\C(=O)N[C@H]1CC[C@H]1C 8238f851d5ac2ec683d18b2049b5e812 [0,1,0,1,0,0|2,0,0]=4 1131 B12R1.925 CC1OCC1NC(=O)/C=C/CO a366c730a5338cf2bcc6b81a0e659ee1 [0,1,0,1,0,0|2,0,0]=4 1132 B12R1.925 CC1OCC1NC(=O)C=CCO 8056cbfd289c00b7e2d80b59d8412277 [0,1,0,1,0,0|2,0,0]=4 1133 B12R1.925 CCC=CC(=O)N[C@@H]1CC[C@H]1C 490693f71a07da1e238330f9c0491693 [0,1,0,1,0,0|2,0,0]=4 1134 B12R1.925 CCC=CC(=O)N[C@H]1CC[C@H]1C 18fe02735cfea12f0cc204ddc5166c54 [0,1,0,1,0,0|2,0,0]=4 1135 B12R1.925 C[C@@H]1CC[C@@H]1NC(=O)/C=C/CF 18115bcfb1a44729b69e614a252a0a28 [0,1,0,1,0,0|2,0,0]=4 1136 B12R1.925 C[C@@H]1CC[C@@H]1NC(=O)/C=C/CO 115860c4d6a5d9b94c296b3e4430ac05 [0,1,0,1,0,0|1,0,0]=3 1137 B12R1.925 C[C@@H]1CC[C@@H]1NC(=O)C=CCO de0fb5afc357f05eccf661fb4ebd1c82 [0,1,0,1,0,0|1,0,0]=3 1138 B12R1.925 C[C@@H]1CC[C@H]1NC(=O)/C=C/CF 66766b1c8d3ebd9a9083fd3aa365518e [0,1,0,1,0,0|2,0,0]=4 1139 B12R1.925 C[C@@H]1CC[C@H]1NC(=O)/C=C/CO a25e482a546693605de37e6c3568d72d [0,1,0,1,0,0|1,0,0]=3 1140 B12R1.925 C[C@@H]1CC[C@H]1NC(=O)C=CCO 851e62191036f7ce4945a8f5260f9555 [0,1,0,1,0,0|1,0,0]=3 1141 B12R1.925 O=C(/C=C/CO)NC1CCC1F 7a653a8e41e2fb81489bda3668e899e1 [0,1,0,1,0,0|2,0,0]=4 1142 B12R1.925 O=C(/C=C/CO)NC1CCC1O 8927e0cf8f5fb7427f6ad992af6b9850 [0,1,0,1,0,0|2,0,0]=4 1143 B12R1.925 O=C(/C=C/CO)N[C@@H]1CC[C@@H]1O 789d116dfad3b24e36516d2637fb7307 [0,1,0,1,0,0|2,0,0]=4 1144 B12R1.925 O=C(/C=C/CO)N[C@@H]1CC[C@H]1O 3ac4b378e6db7d6a3771b9e5098a22a8 [0,1,0,1,0,0|2,0,0]=4 1145 B12R1.925 O=C(/C=C/CO)N[C@H]1CC[C@@H]1O e37655fea887bae4ba09fd7e91bf1ff2 [0,1,0,1,0,0|2,0,0]=4 1146 B12R1.925 O=C(/C=C/CO)N[C@H]1CC[C@H]1O f838ed791717bc24a0fc8dcafe386217 [0,1,0,1,0,0|2,0,0]=4 1147 B12R1.925 O=C(C=CCO)NC1CCC1F 0141513c0e03194d3720b3f06d8fad35 [0,1,0,1,0,0|2,0,0]=4 1148 B12R1.925 O=C(C=CCO)NC1CCC1O 310d405f7111e6a5c97a7aa282a93263 [0,1,0,1,0,0|2,0,0]=4 1149 B12R1.925 O=C(C=CCO)N[C@@H]1CC[C@@H]1O 1607d5982f504527aa2a854625823e9e [0,1,0,1,0,0|2,0,0]=4 1150 B12R1.925 O=C(C=CCO)N[C@@H]1CC[C@H]1O d8987740c124ae9eacbb3121a3265056 [0,1,0,1,0,0|2,0,0]=4 1151 B12R1.925 O=C(C=CCO)N[C@H]1CC[C@@H]1O 56e28a43de5d155b4fad552ca4766e12 [0,1,0,1,0,0|2,0,0]=4 1152 B12R1.925 O=C(C=CCO)N[C@H]1CC[C@H]1O cda853cb8659fe1df39b4505a44cb484 [0,1,0,1,0,0|2,0,0]=4 1153 B12R1.35 CCCCNC(=O)c1ccco1 65cf84a005a8f3d7f73aa434d4a30611 [0,1,0,1,0,0|1,0,1]=4 1154 B12R1.35 CCCCNC(=O)c1ccno1 4748a6b955d046f3d9e60b44a9d686c5 [0,1,0,1,0,0|2,0,0]=4 1155 B12R1.35 CCCNCC(=O)c1ccco1 52e5a58dc04027848e4346689b25e2f7 [0,1,0,1,0,0|1,0,1]=4 1156 B12R1.35 CCCOCC(=O)c1ccco1 2663e8a78cc2c66d8f0bef1c516df59c [0,1,0,1,0,0|1,0,1]=4 1157 B12R1.255 CC(C)CCCNc1ccco1 5cfc5e2b49ff4e04efcd5d481c1297a9 [0,1,0,1,0,0|1,0,1]=4 1158 B12R1.255 CC(C)CCCNc1ccno1 1774082aba5fe84108747543a6003501 [0,1,0,1,0,0|2,0,0]=4 1159 B12R1.255 CC(C)CCCOc1ccco1 dcd08fc2879004fa861e59b09cf5db01 [0,1,0,1,0,0|1,0,1]=4 1160 B12R1.255 CC(O)CCCNc1ccno1 50369eafd32c27b9c4ba702a8e3ab62c [0,1,0,1,0,0|2,0,0]=4 1161 B12R2.98 c1cc(on1)NC2CCCC2 dec387a1257784cc52b6a80cc32ede73 [0,0,0,2,0,0|2,0,0]=4 1162 B12R2.98 c1coc(c1)OC2CCCC2 be7161a100e5dcffc6a2df0c717e5c1a [0,0,0,2,0,0|1,0,1]=4 1163 B12R2.2056 c1cc(on1)NCC2CCC2 c1b803b3df3c8ac3f7ae959ae6e097c0 [0,0,0,2,0,0|2,0,0]=4 1164 B12R2.2056 c1coc(c1)OCC2CCC2 d44e65a00edd0dc994123e5698cc000a [0,0,0,2,0,0|1,0,1]=4 1165 B12R2.2383 c1cc(on1)NCCC2CC2 094b21c01c48e960b106b80e773c784b [0,0,0,2,0,0|2,0,0]=4 1166 B12R2.2383 c1coc(c1)OCCC2CC2 f3e91f98c8d6f6a9f8f8d4fd4dc547f0 [0,0,0,2,0,0|1,0,1]=4