0 B11R1.230 CC1CC(C(=O)O1)NCCBr 04ade738492c50bf7f707108a01838ad [0,0,0,0,0,0|2,0,2]=4 1 B11R1.230 CC1CC(C(=O)O1)NCCF 5d4e96def386455a2b695f6bacd0f0a9 [0,0,0,0,0,0|2,0,2]=4 2 B11R1.230 CC1CC(C(=O)O1)NCCI 4c60beccd3babdd2777a1eb5b1847c5a [0,0,0,0,0,0|2,0,2]=4 3 B11R1.230 CC1CC(C(=O)O1)NCCO 2a7f81767f4e45359be36cc673ed4bce [0,0,0,0,0,0|2,0,2]=4 4 B11R1.230 CC1CC(C(=O)O1)NCCS cbf6b654c9cd63d40a1a4c73122bb4d6 [0,0,0,0,0,0|2,0,2]=4 5 B11R1.230 CC1CC(C(=O)O1)OCCF 9fb52e5b497829b0c77116345efd3b05 [0,0,0,0,0,0|2,0,2]=4 6 B11R1.230 CC1CC(C(=O)O1)OCCS 3b08dd579b7c53ce435447e10b9029a2 [0,0,0,0,0,0|2,0,2]=4 7 B11R1.230 CCCNC1CC(OC1=O)C f4af22d6ae9871f61d8d94be3052aa15 [0,0,0,0,0,0|1,0,2]=3 8 B11R1.230 CCCNc1cn(nc1Br)C 3eb8808dae72542e2f8819d5c161df3e [0,0,0,0,0,0|4,0,0]=4 9 B11R1.230 CCCNc1cn(nc1C)C 5e8a063b014b29e484360e1fe427f9ce [0,0,0,0,0,0|4,0,0]=4 10 B11R1.230 CCCNc1cn(nc1Cl)C 794d458a832bdfad4531425fb7adf32e [0,0,0,0,0,0|4,0,0]=4 11 B11R1.230 CCCNc1cn(nc1F)C ef9281c6afd1c6ce5f96fbbe535cf3f6 [0,0,0,0,0,0|4,0,0]=4 12 B11R1.230 CCCNc1nc(oc1C)C 74fde0412a7013e5b90ad3817c1531bd [0,0,0,0,0,0|3,0,1]=4 13 B11R1.230 CCCOC1CC(OC1=O)C ac43bc77e6d33437408bb02628b93fb2 [0,0,0,0,0,0|1,0,2]=3 14 B11R1.230 CCCO[C@@H]1C[C@@H](NC1=O)C 0ff45f3b02bf67b3784044e9f0bf73df [0,0,0,0,0,0|2,0,2]=4 15 B11R1.230 CCCOc1cn(nc1C)C e009ece816fc30e4ef67da227c74f4d1 [0,0,0,0,0,0|4,0,0]=4 16 B11R1.230 CCNCc1cc(oc1C)C dd96d82e483c84cbec4e3a508af787c6 [0,0,0,0,0,0|2,0,1]=3 17 B11R1.230 CCNCc1cn(nc1C)C 6f56f68b67069be0ea6407ebc4a91736 [0,0,0,0,0,0|4,0,0]=4 18 B11R1.230 CCNCc1nc(oc1C)C 19498fbb969cfa993b60fe75716070cd [0,0,0,0,0,0|3,0,1]=4 19 B11R1.230 CCOCc1cc(oc1C)C dcdc223e41fb44ebc0039150711e399c [0,0,0,0,0,0|2,0,1]=3 20 B11R1.230 CCOCc1cn(nc1Br)C 1637827c4e74583424fea76e95c0d6ea [0,0,0,0,0,0|4,0,0]=4 21 B11R1.230 CCOCc1cn(nc1C)C 1b0789d087aa3540ef2ed95011a7d1e1 [0,0,0,0,0,0|4,0,0]=4 22 B11R1.230 CCOCc1nc(oc1C)C f6bafc66312999ceaf7b0f65396e28d8 [0,0,0,0,0,0|3,0,1]=4 23 B11R1.230 COCOC1CC(OC1=O)C ab8bfea20b46dd20f3958f974956a7a5 [0,0,0,0,0,0|2,0,2]=4 24 B11R1.230 Cc1cc(c(o1)C)CNCF ac4cbe3cafdbdf1f1d9b3a46ab74a288 [0,0,0,0,0,0|3,0,1]=4 25 B11R1.230 Cc1cc(c(o1)C)CNCO 402980e367dd715d0f0953a0929ca005 [0,0,0,0,0,0|3,0,1]=4 26 B11R1.230 Cc1cc(c(o1)C)COCF 897848222dff7fc92baacee35dd1a5ee [0,0,0,0,0,0|3,0,1]=4 27 B10R1.16 CCCNc1cc(on1)C 95fc81bad05076b4be45d8d69c5d9953 [1,0,0,0,0,0|2,0,1]=4 28 B10R1.16 CCCNc1cnn(c1)C 4fbff3af69db540152988e98bd703115 [1,0,0,0,0,0|3,0,0]=4 29 B10R1.16 CCCOc1cnn(c1)C c376f1304fbec1c7dac345c375294a8b [1,0,0,0,0,0|3,0,0]=4 30 B10R1.16 CCNCc1cc(on1)C d6f7f23773bf3fd7b88ec4ab96b73502 [1,0,0,0,0,0|2,0,1]=4 31 B10R1.16 CCNCc1cnn(c1)C 9aae92df0d7d90a068357cd8edccce78 [1,0,0,0,0,0|3,0,0]=4 32 B10R1.16 CCNCc1coc(n1)C 02a97f98e824c9aaf34f18f9cbd1aa31 [1,0,0,0,0,0|2,0,1]=4 33 B10R1.16 CCOCc1cc(on1)C a1ac31d99d9c14f6284881a7e8f5dbc4 [1,0,0,0,0,0|2,0,1]=4 34 B10R1.16 CCOCc1ccn(c1)C 7f6d85cf6c912466a9b31cef658ea84d [1,0,0,0,0,0|3,0,0]=4 35 B10R1.16 CCOCc1cnn(c1)C 0cf2f0eab5d901043868d8321ff1e187 [1,0,0,0,0,0|3,0,0]=4 36 B10R1.16 CCOCc1coc(c1)Br 469b711eeb5e7c74e57b4883d1944a8e [1,0,0,0,0,0|2,0,1]=4 37 B10R1.16 CCOCc1coc(n1)C f8b7720b16d0ff50831115382e866fb4 [1,0,0,0,0,0|2,0,1]=4 38 B10R1.16 CCOCc1csc(c1)C f7a1b79030f1f65bf9c1d4c8623c511e [1,0,0,0,0,0|1,1,1]=4 39 B10R1.29 CCCN[C@@H]1CCOC1=O 093e5b8bf1b7aee96a6d4b18a27dd8a3 [1,0,0,0,0,0|1,0,2]=4 40 B10R1.29 CCCN[C@H]1CCOC1=O 6fb700cd323815a8f11591a44ec6a9ee [1,0,0,0,0,0|1,0,2]=4 41 B10R1.29 CCCNc1cnoc1C 84d95d6abf6ae0156f5c87f1ea982d71 [1,0,0,0,0,0|3,0,0]=4 42 B10R1.29 CCCOC1=CCCC1=O fadefa381d9ba1fee3a737cdc60aa0fe [1,0,0,0,0,0|2,0,0]=3 43 B10R1.29 CCCOC1CCOC1=O 81b1a44df3caf13a7904e6e1637022cc [1,0,0,0,0,0|1,0,2]=4 44 B10R1.29 CCCO[C@@H]1CCOC1=O a61cf9ea463c92a0de26354c56c59a42 [1,0,0,0,0,0|1,0,2]=4 45 B10R1.29 CCCO[C@H]1CCOC1=O 0ca8453d27df7ed3deef2a5f6389b306 [1,0,0,0,0,0|1,0,2]=4 46 B10R1.29 CCNCc1ccoc1C 37875bf99e24435822de4bec2aaa3263 [1,0,0,0,0,0|2,0,1]=4 47 B10R1.29 CCNCc1cnoc1C 86c68718ee9a3babc5642fd92ed3b26f [1,0,0,0,0,0|3,0,0]=4 48 B10R1.29 CCOCC1=CCCC1=O 1b35cb27c216af6dbf9fafa3e8334a80 [1,0,0,0,0,0|2,0,0]=3 49 B10R1.29 CCOCc1ccoc1C eae898938246cdd68c7bd43fc9c7f9c1 [1,0,0,0,0,0|2,0,1]=4 50 B10R1.29 CCOCc1cnoc1C 757f95ea1f7f57b953d726800521ae4e [1,0,0,0,0,0|3,0,0]=4 51 B10R1.29 COCOC1=CCCC1=O 72dcab3afd444c0c1c7d6d6795677127 [1,0,0,0,0,0|3,0,0]=4 52 B10R1.29 CSCOC1=CCCC1=O ece18d604a840db1de6af33c09890bd3 [1,0,0,0,0,0|3,0,0]=4 53 B10R1.29 O=C1CCC=C1COCF af5d5b1ac108026b75e1a6a0b5e6d92d [1,0,0,0,0,0|3,0,0]=4 54 B10R1.29 O=C1CCC=C1OCCF e8bccd1eeb19bbc6a76ec3435be9a809 [1,0,0,0,0,0|3,0,0]=4 55 B10R1.29 O=C1CCC=C1OCCS 553434a343daa8d472856f456e3c55b3 [1,0,0,0,0,0|3,0,0]=4 56 B12R1.313 CCCN(C)C1CC(OC1=O)C 33c68a0ee87bed6626864b03ce659e2a [0,1,0,0,0,0|1,0,2]=4 57 B12R1.376 CCCNc1cc(oc1C=O)C a82908eaf9811bfc737839722a330eaa [0,1,0,0,0,0|1,0,1]=3 58 B12R1.376 Cc1cc(c(o1)C=O)NCCBr 6124f460167d75356f171de1e818ec43 [0,1,0,0,0,0|2,0,1]=4 59 B12R1.376 Cc1cc(c(o1)C=O)NCCF c144caddfae5aa01b0fef61b45eb11d6 [0,1,0,0,0,0|2,0,1]=4 60 B12R1.376 Cc1cc(c(o1)C=O)NCCI 9087118c2b56472f14362710a46a16e5 [0,1,0,0,0,0|2,0,1]=4 61 B12R1.376 Cc1cc(c(o1)C=O)NCCO 6ae3773a00a051e64f0d85cd513277dc [0,1,0,0,0,0|2,0,1]=4 62 B12R1.376 Cc1cc(c(o1)C=O)NCCS e4c92a7588f338dc2a87d35b95575daf [0,1,0,0,0,0|2,0,1]=4 63 B12R1.456 CC1CC(C(=O)O1)NCCCCl 9470d6d6690499b84c717c081bba490c [0,1,0,0,0,0|1,0,2]=4 64 B12R1.456 CC1CC(C(=O)O1)NCCCO 84c29ff62ac590c870979fb2f4b2bddb [0,1,0,0,0,0|1,0,2]=4 65 B12R1.456 CC1CC(C(=O)O1)OCCCF 505712043fa35ee0e38b550541271325 [0,1,0,0,0,0|1,0,2]=4 66 B12R1.456 CC1CC(C(=O)O1)OCCCS e59881b0dcb77a629b99ce344efc3b78 [0,1,0,0,0,0|1,0,2]=4 67 B12R1.456 CCCCNC1CC(OC1=O)C ce796f1b1834ab2cc44085ead3a65529 [0,1,0,0,0,0|0,0,2]=3 68 B12R1.456 CCCCNc1cn(nc1Br)C fefc930c59bf01c45a110e428142d292 [0,1,0,0,0,0|3,0,0]=4 69 B12R1.456 CCCCNc1cn(nc1C)C 2f93ce8b30d59dd8510f56e269313951 [0,1,0,0,0,0|3,0,0]=4 70 B12R1.456 CCCCNc1cn(nc1Cl)C 1ece86b0665202f6492ca5d5a9905d8d [0,1,0,0,0,0|3,0,0]=4 71 B12R1.456 CCCCNc1cn(nc1F)C 1c4b9d18fcb3bdb0aef676c6626415c4 [0,1,0,0,0,0|3,0,0]=4 72 B12R1.456 CCCCNc1nc(oc1C)C 7977919478baae9050d718f885d930eb [0,1,0,0,0,0|2,0,1]=4 73 B12R1.456 CCCCOC1CC(OC1=O)C a26af5284069237c0b9f3fd1b1e87da5 [0,1,0,0,0,0|0,0,2]=3 74 B12R1.456 CCCCO[C@@H]1C[C@@H](NC1=O)C 50148bb80423e460a2358cc2c27923a7 [0,1,0,0,0,0|1,0,2]=4 75 B12R1.456 CCCCOc1cn(nc1C)C d8ac05567f0bf74c2166a8f5f5b177c9 [0,1,0,0,0,0|3,0,0]=4 76 B12R1.456 CCCNCc1cc(oc1C)C 1f080d90339e79c6aea19f56ddc0588d [0,1,0,0,0,0|1,0,1]=3 77 B12R1.456 CCCNCc1cn(nc1C)C 0cbf9930d6ef5ab9745b3fb9d5fc0706 [0,1,0,0,0,0|3,0,0]=4 78 B12R1.456 CCCNCc1nc(oc1C)C 28c21600f41d8b9edd31c67709eed61a [0,1,0,0,0,0|2,0,1]=4 79 B12R1.456 CCCOCc1cc(oc1C)C 5e266076bcb19998d58510e252a5e299 [0,1,0,0,0,0|1,0,1]=3 80 B12R1.456 CCCOCc1cn(nc1Br)C 1dcdf319253b17f39129f2eaa23f379e [0,1,0,0,0,0|3,0,0]=4 81 B12R1.456 CCCOCc1cn(nc1C)C f5dce21cfafb8fbb58d2623e34a41d9e [0,1,0,0,0,0|3,0,0]=4 82 B12R1.456 CCCOCc1nc(oc1C)C 35b823d3ab72ae6ee880a0bbdc4c9914 [0,1,0,0,0,0|2,0,1]=4 83 B12R1.456 COCCNC1CC(OC1=O)C bb50badf592e070974fce41e1e630b3a [0,1,0,0,0,0|1,0,2]=4 84 B12R1.456 COCCOC1CC(OC1=O)C eb482562ac6122688170d0be0ca922dc [0,1,0,0,0,0|1,0,2]=4 85 B12R1.456 COCNCc1cc(oc1C)C 93a9f9c1cdb27b90edbef363c48a5cf2 [0,1,0,0,0,0|2,0,1]=4 86 B12R1.456 COCOCc1cc(oc1C)C 7cdd8efa808003c31b6dba3366d1e58a [0,1,0,0,0,0|2,0,1]=4 87 B12R1.456 CSCCNC1CC(OC1=O)C 1e4d605ea8bea5227cc5531c80be9552 [0,1,0,0,0,0|1,0,2]=4 88 B12R1.456 CSCCOC1CC(OC1=O)C 6da32210252248e826ca057bfd0a7f4d [0,1,0,0,0,0|1,0,2]=4 89 B12R1.456 CSCNCc1cc(oc1C)C 6991865680a01384a17d38996c021916 [0,1,0,0,0,0|2,0,1]=4 90 B12R1.456 CSCOCc1cc(oc1C)C 359c1b76427573daf3f9fa74d5df7486 [0,1,0,0,0,0|2,0,1]=4 91 B12R1.456 Cc1cc(c(o1)C)CNCCF 6af474caa9fba42613fcba99168900af [0,1,0,0,0,0|2,0,1]=4 92 B12R1.456 Cc1cc(c(o1)C)CNCCO 5a1539d757a8d3ac133d3fbcb71b96bf [0,1,0,0,0,0|2,0,1]=4 93 B12R1.456 Cc1cc(c(o1)C)CNCCS 44da4fbf83a47b81f11a78abbaf2a4be [0,1,0,0,0,0|2,0,1]=4 94 B12R1.456 Cc1cc(c(o1)C)COCCF 51ff648afe187d8f073679d7809c9879 [0,1,0,0,0,0|2,0,1]=4 95 B12R1.456 Cc1cc(c(o1)C)COCCS f0e15149e60ac7ec6eba8658a6d55343 [0,1,0,0,0,0|2,0,1]=4 96 B12R1.532 CCC(C)NC1CC(OC1=O)C c0f40843a9f0cf4fb367ca60892b1511 [0,1,0,0,0,0|1,0,2]=4 97 B12R1.532 CCC(C)OC1CC(OC1=O)C 8d8458cd19a6bbc67f27403748251342 [0,1,0,0,0,0|1,0,2]=4 98 B12R1.532 CC[C@@H](C)NC1CC(OC1=O)C 8b452bb1e8e29c99bd2524ee66e88225 [0,1,0,0,0,0|1,0,2]=4 99 B12R1.532 CC[C@@H](C)OC1CC(OC1=O)C bc13d45f52492a271eeeb8ba3173c2a4 [0,1,0,0,0,0|1,0,2]=4 100 B12R1.532 CC[C@H](C)NC1CC(OC1=O)C 456ba9f13cb841b4e11c4af791dbf790 [0,1,0,0,0,0|1,0,2]=4 101 B12R1.532 CC[C@H](C)OC1CC(OC1=O)C a6b40c8d802f9efa841728f3e86b6c08 [0,1,0,0,0,0|1,0,2]=4 102 B12R1.861 CC(C)CNC1CC(OC1=O)C b00620abbdd6aca4d11582691084624e [0,1,0,0,0,0|1,0,2]=4 103 B12R1.861 CC(C)COC1CC(OC1=O)C 4b60aa6644d0766569d94f67eb595040 [0,1,0,0,0,0|1,0,2]=4 104 B12R1.861 CC(F)COC1CC(OC1=O)C 44ab43685a12f59da7c118a7c1c1c970 [0,1,0,0,0,0|1,0,2]=4 105 B12R1.861 CC(O)CNC1CC(OC1=O)C e61c021d40b19d95cee2983b5789c095 [0,1,0,0,0,0|1,0,2]=4 106 B12R1.861 CC(S)COC1CC(OC1=O)C eee5432dab60b420a9dbb321725b73fa [0,1,0,0,0,0|1,0,2]=4 107 B12R1.861 CC1CC(C(=O)O1)NC[C@@H](C)O 44a49601df7936ffeef8124ec02f5d85 [0,1,0,0,0,0|1,0,2]=4 108 B12R1.861 CC1CC(C(=O)O1)NC[C@H](C)O e8e8df0f5080cd3c17c9c3420f12df11 [0,1,0,0,0,0|1,0,2]=4 109 B12R1.861 CC1CC(C(=O)O1)OC[C@@H](C)F a60afc956cbca8b50d766c0650e1c38a [0,1,0,0,0,0|1,0,2]=4 110 B12R1.861 CC1CC(C(=O)O1)OC[C@H](C)F 6b9a9076a4d7f7eddc4ff656c104a4a6 [0,1,0,0,0,0|1,0,2]=4 111 B12R1.861 Cc1cc(c(o1)C)CNC(C)C 32cd4eef916943fa4f6c441357a942d9 [0,1,0,0,0,0|2,0,1]=4 112 B12R1.861 Cc1cc(c(o1)C)COC(C)C 59f74703a0d2e003ec118c9fbc30019f [0,1,0,0,0,0|2,0,1]=4 113 B12R1.1624 C#CCOC1=C(C(OC1=O)C)C 6dfd3fb958d5a0a268ec1056e3b2c2d5 [0,1,0,0,0,0|1,0,2]=4 114 B12R1.1624 C=CCOC1=C(C(OC1=O)C)C faddfa6b82c4c37907a4847750b0124a [0,1,0,0,0,0|1,0,2]=4 115 B12R1.1624 CC1=C(C(=O)C(O1)C)OCCF fa77be7fd10c378278825d548d1933b7 [0,1,0,0,0,0|3,0,0]=4 116 B12R1.1624 CC1=C(C(=O)C(O1)C)OCCS d7b7daf59be2d1906ca477a4b9cabcab [0,1,0,0,0,0|3,0,0]=4 117 B12R1.1624 CC1=C(C(=O)CC1C)OCCF adc1e967b91f06aa216e4cfdf79abe9b [0,1,0,0,0,0|3,0,0]=4 118 B12R1.1624 CC1=C(C(=O)CC1C)OCCS eb2ef50505f7d5a3d4bf65bd59b79ff9 [0,1,0,0,0,0|3,0,0]=4 119 B12R1.1624 CC1=C(C(=O)OC1C)OCC#N 2bac7ec92b7b0e23f107e91cc019fa96 [0,1,0,0,0,0|2,0,1]=4 120 B12R1.1624 CC1=C(C(=O)OC1C)OCC=O cb93b945cc4522025326046dc9a8d3fa [0,1,0,0,0,0|2,0,1]=4 121 B12R1.1624 CC1=C(C(=O)OC1C)OCCF 4c5a5f3ba0f42a5b344d608636c0ada9 [0,1,0,0,0,0|2,0,0]=3 122 B12R1.1624 CC1=C(C(=O)OC1C)OCCS c3e5a05eef91284ff1c0294e53029bcd [0,1,0,0,0,0|2,0,0]=3 123 B12R1.1624 CCCOC1=C(C(CC1=O)C)C dd9b67d1afb2ae6c1f553a756784ccfb [0,1,0,0,0,0|2,0,0]=3 124 B12R1.1624 CCCOC1=C(C(OC1=O)C)C 0d2f3ffc729a512d21d7b240581e8f2a [0,1,0,0,0,0|1,0,0]=2 125 B12R1.1624 CCCOC1=C(OC(C1=O)C)C 9ca83afb4be805c400f41fe74f2313a6 [0,1,0,0,0,0|2,0,0]=3 126 B12R1.1624 COCOC1=C(C(CC1=O)C)C e79ee11b73c137a3c2a7e6ba14cedb22 [0,1,0,0,0,0|3,0,0]=4 127 B12R1.1624 COCOC1=C(C(OC1=O)C)C d837411f49ff76c2849e3b3b2f111d4e [0,1,0,0,0,0|2,0,0]=3 128 B12R1.1624 COCOC1=C(OC(C1=O)C)C 374ecf9b2b267e1e7f0a99e9e0859e12 [0,1,0,0,0,0|3,0,0]=4 129 B12R1.1624 CSCOC1=C(C(CC1=O)C)C a2e599ab2986e690aa7001e76afd817a [0,1,0,0,0,0|3,0,0]=4 130 B12R1.1624 CSCOC1=C(C(OC1=O)C)C 4009bc6de245fe149b9d0db5dbdbe21f [0,1,0,0,0,0|2,0,0]=3 131 B12R1.1624 CSCOC1=C(OC(C1=O)C)C f74d35c1112cab9a65dd3922b8337712 [0,1,0,0,0,0|3,0,0]=4 132 B10R0.1 CCCCCCC(C)NC=O f63682f2eac1154ec031945a12d93daf [0,0,1,0,0,0|1,0,2]=4 133 B10R0.1 CCCCCC[C@@H](C)NC=O 909a4f41573981c2710438729cbc1a42 [0,0,1,0,0,0|1,0,2]=4 134 B10R0.1 CCCCCC[C@H](C)NC=O d2a59e79b94a9a0d6c0487556bbcd17e [0,0,1,0,0,0|1,0,2]=4 135 B10R0.6 C=C(C)CC(=O)NCCCC 8755696ec9cf3464dac3064a60dd6b8a [0,0,1,0,0,0|2,0,1]=4 136 B10R0.6 CCCCNC(=O)CC(C)C 3363a95f899c4d1d2797ab0d53e6e066 [0,0,1,0,0,0|2,0,1]=4 137 B10R0.6 CCCCNC(=O)CC(C)O 69d342c86e5eab398563e6e8e09634d6 [0,0,1,0,0,0|3,0,0]=4 138 B10R0.6 CCCCNC(=O)C[C@@H](C)O ab8e83b515ef0d7fc7a0f54f23eff3b8 [0,0,1,0,0,0|3,0,0]=4 139 B10R0.6 CCCCNC(=O)C[C@H](C)O 29a1309b76801dcb4b96a6e826d2ece6 [0,0,1,0,0,0|3,0,0]=4 140 B10R0.6 CCCNCC(=O)OC(C)C 2fb375c8333c868a0ae70970623d321e [0,0,1,0,0,0|1,0,2]=4 141 B10R0.6 CCCOCC(=O)OC(C)C 48ce383eaec39bd480e02f6e063a2e1a [0,0,1,0,0,0|1,0,2]=4 142 B10R0.19 C=C(CNC#N)C(=O)OCC 748bc2a69eef91d9a7679ab59586cf42 [0,0,1,0,0,0|2,0,1]=4 143 B10R0.19 C=C(COCC)C(=O)OCC 6f10787a53e9e179e98980ece827ebe3 [0,0,1,0,0,0|1,0,0]=2 144 B10R0.19 C=C(COCF)C(=O)OCC b650682d5a989b6232a261e673cb2625 [0,0,1,0,0,0|2,0,0]=3 145 B10R0.19 CCCCN(C)C(=O)CCC 2b7b784470b8b7ff831c528c223e6a34 [0,0,1,0,0,0|2,0,1]=4 146 B10R0.19 CCCNC(=O)C(=O)CCC 5f1ca2ad77e4e87193cbe96fbe565f08 [0,0,1,0,0,0|3,0,0]=4 147 B10R0.19 CCCNC(=O)C(=O)NCC f2260bfda03b5b20309129d67d928b2c [0,0,1,0,0,0|3,0,0]=4 148 B10R0.19 CCCNC(=O)C(=O)OCC 126270ea1ba4e767f191773567423bc3 [0,0,1,0,0,0|2,0,0]=3 149 B10R0.19 CCCNC(C)C(=O)OCC a5bc76108a07c2d666e42f51eaeeddad [0,0,1,0,0,0|1,0,2]=4 150 B10R0.19 CCCNC(F)C(=O)OCC 5b25cec6bdd3ca76df5dbdfb7f6f2cee [0,0,1,0,0,0|2,0,1]=4 151 B10R0.19 CCCN[C@@H](C)C(=O)OCC 8307fc251a428f5e5cd7764df108d7f4 [0,0,1,0,0,0|1,0,2]=4 152 B10R0.19 CCCN[C@H](C)C(=O)OCC e3baecfd69e367b3a0331595e9b279fc [0,0,1,0,0,0|1,0,2]=4 153 B10R0.19 CCCOC(C)C(=O)OCC ab8ff289244dec834ca22da0f5d8b6d4 [0,0,1,0,0,0|1,0,2]=4 154 B10R0.19 CCCOC(F)C(=O)OCC a0370e8810575cf9bdcdb7d5afcd7c6f [0,0,1,0,0,0|2,0,1]=4 155 B10R0.19 CCCO[C@@H](C)C(=O)OCC d090f23ed408baa128a37269f58d1c53 [0,0,1,0,0,0|1,0,2]=4 156 B10R0.19 CCCO[C@H](C)C(=O)OCC dcab65047931043055d0bc5167530869 [0,0,1,0,0,0|1,0,2]=4 157 B10R0.19 CCNCC(C)C(=O)OCC bed894143b65f72480fec39bc03493cb [0,0,1,0,0,0|1,0,2]=4 158 B10R0.19 CCOC(=O)C(=O)NCCBr e4972212b28d934c55de2e91934e8ad8 [0,0,1,0,0,0|3,0,0]=4 159 B10R0.19 CCOC(=O)C(=O)NCCF bf9365782d4975caade760a4692aafcf [0,0,1,0,0,0|3,0,0]=4 160 B10R0.19 CCOC(=O)C(=O)NCCI dcb73f85d70b0f51a780be2b216bb11d [0,0,1,0,0,0|3,0,0]=4 161 B10R0.19 CCOC(=O)C(=O)NCCO fa126e091ea41099573a279beb624628 [0,0,1,0,0,0|3,0,0]=4 162 B10R0.19 CCOC(=O)C(=O)NCCS 4818e5620e2d5777e93e600f071009c5 [0,0,1,0,0,0|3,0,0]=4 163 B10R0.19 CCOCC(C)C(=O)OCC 0f2424f972bf92769c6abc269b3fc887 [0,0,1,0,0,0|1,0,2]=4 164 B10R0.88 CCCC(CNCC)C(=O)O d5b4b09b58c403ca5f28b5b8c7e2884f [0,0,1,0,0,0|1,0,2]=4 165 B10R0.88 CCCCC(NCC)C(=O)N c1258c9de45345833efaa8f5b9efa1e8 [0,0,1,0,0,0|2,0,1]=4 166 B10R0.88 CCCCC(NCC)C(=O)O 19afefdf9a0dc101c3e3fca215d9c7b1 [0,0,1,0,0,0|1,0,1]=3 167 B10R0.88 CCCCC(NCF)C(=O)O 69e9649e038a8ecf78ce53405e602367 [0,0,1,0,0,0|2,0,1]=4 168 B10R0.88 CCCCC(NCO)C(=O)O 8d663557413d6ccb986ebe7058c76389 [0,0,1,0,0,0|2,0,1]=4 169 B10R0.88 CCCCC(OCC)C(=O)O 0f352149ce74024fc046b5ca610f4e45 [0,0,1,0,0,0|1,0,1]=3 170 B10R0.88 CCCCC(OCF)C(=O)O c22232cfbde720333bfa0e5341c8a6b0 [0,0,1,0,0,0|2,0,1]=4 171 B10R0.88 CCCCN(CCC)C(=O)C 25c7057490a6d91183978dc672f17466 [0,0,1,0,0,0|2,0,1]=4 172 B10R0.88 CCCC[C@@H](NCC)C(=O)O 95ad414be444c13b7955e67f44252ff1 [0,0,1,0,0,0|1,0,1]=3 173 B10R0.88 CCCC[C@@H](NCF)C(=O)O 66f1ba402b56b1bb56335dcea0791efc [0,0,1,0,0,0|2,0,1]=4 174 B10R0.88 CCCC[C@@H](NCO)C(=O)O 28b817db1f487deb016536f9133dc563 [0,0,1,0,0,0|2,0,1]=4 175 B10R0.88 CCCC[C@@H](OCC)C(=O)O 6d2de7eeef8fa36ba16abc39c96c4de8 [0,0,1,0,0,0|1,0,1]=3 176 B10R0.88 CCCC[C@@H](OCF)C(=O)O 1dcb7bbff2be26a954aed7004b3941aa [0,0,1,0,0,0|2,0,1]=4 177 B10R0.88 CCCC[C@H](NCC)C(=O)O cf01ba2ece95c0be4aa1f2867e8d34b1 [0,0,1,0,0,0|1,0,1]=3 178 B10R0.88 CCCC[C@H](NCF)C(=O)O e4ee9e4f88218256adc840a564a154ce [0,0,1,0,0,0|2,0,1]=4 179 B10R0.88 CCCC[C@H](NCO)C(=O)O d11dbe86445a1bafbb9afa2ccfbfda69 [0,0,1,0,0,0|2,0,1]=4 180 B10R0.88 CCCC[C@H](OCC)C(=O)O 735b82d55f6f8b61c7d0c4b06f432e62 [0,0,1,0,0,0|1,0,1]=3 181 B10R0.88 CCCC[C@H](OCF)C(=O)O 1ca7c37686f7a1c33a26a81e2366b288 [0,0,1,0,0,0|2,0,1]=4 182 B10R0.88 CCCNC(CCC)C(=O)O 50a9c67e92808a13e00b7a95cac79abd [0,0,1,0,0,0|1,0,2]=4 183 B10R0.88 CCCN[C@@H](CCC)C(=O)O deca272af1b14ae79117b0449a49ed6b [0,0,1,0,0,0|1,0,2]=4 184 B10R0.88 CCCN[C@H](CCC)C(=O)O 88c61f149b410c312dade3bddfaf922b [0,0,1,0,0,0|1,0,2]=4 185 B10R0.88 CCCOC(CCC)C(=O)O b0344db7ef010f25677ad426e40779df [0,0,1,0,0,0|1,0,2]=4 186 B10R0.88 CCCO[C@@H](CCC)C(=O)O fa1d5f73df2c34baee44eb479404c5aa [0,0,1,0,0,0|1,0,2]=4 187 B10R0.88 CCCO[C@H](CCC)C(=O)O 75865b15351d0d421de5ac5dce0ceaa8 [0,0,1,0,0,0|1,0,2]=4 188 B10R0.88 CCC[C@@H](CNCC)C(=O)O b533dfeca6556d727312734209ce2b98 [0,0,1,0,0,0|1,0,2]=4 189 B10R0.88 CCC[C@H](COCC)C(=O)O dbb33f67a6d9273034152de66b7e61d4 [0,0,1,0,0,0|1,0,2]=4 190 B10R0.88 CCNC(CCSC)C(=O)O 82548539575ba824e7a2098a35cd1dac [0,0,1,0,0,0|2,0,1]=4 191 B10R0.88 CCN[C@@H](CCCO)C(=O)O 31b58d64b2612b4ac3e859096c7cd00c [0,0,1,0,0,0|2,0,1]=4 192 B10R0.88 CCN[C@@H](CCOC)C(=O)O 4cef9fb1300898592974c5e4ff38b7ca [0,0,1,0,0,0|2,0,1]=4 193 B10R0.88 CCN[C@@H](CCSC)C(=O)O b07091ff90877dbf86b5359ad286371e [0,0,1,0,0,0|2,0,1]=4 194 B10R0.88 CCN[C@H](CCCO)C(=O)O 6608e7e92d586587a3ac50b988c050b9 [0,0,1,0,0,0|2,0,1]=4 195 B10R0.88 CCN[C@H](CCSC)C(=O)O de9c0e07f6ad6132a81825d3b738d0b9 [0,0,1,0,0,0|2,0,1]=4 196 B10R0.88 CCOC(CCSC)C(=O)O 139f69f71008f39e3a50a48623dceda3 [0,0,1,0,0,0|2,0,1]=4 197 B12R2.993 CC1CC(C(=O)O1)N2CCC2 1204107d960b3d3cdab6d9fa13c27673 [0,0,0,1,0,0|1,0,2]=4 198 B12R2.2310 CC1CC(C(=O)O1)NC2CC2 0b191786e2ecda32e5bc4cbcf6845af0 [0,0,0,1,0,0|1,0,2]=4 199 B12R2.2310 CC1CC(C(=O)O1)OC2CC2 ff1312f9735e497ba7c3f75100ce8c51 [0,0,0,1,0,0|1,0,2]=4 200 B12R1.69 CCCNc1c[nH]c(nc1=O)C fee8b71fe6ed3311df85dbb2b31b8b6d [0,0,0,0,0,1|2,0,1]=4 201 B12R1.69 CCCNc1ncc([nH]c1=O)C 8c351eb109436887c632f5dbbf5fdc21 [0,0,0,0,0,1|2,0,1]=4 202 B12R1.69 CCCOc1coc(cc1=O)C 1df305d7cdbf23a498bd1943ccf287b5 [0,0,0,0,0,1|2,0,1]=4 203 B12R1.69 CCNCc1ccc([nH]c1=O)C 8a38d1846c2ec19e464fb82853978321 [0,0,0,0,0,1|2,0,1]=4 204 B12R1.69 CCOCc1c[nH]c(nc1=O)C f0b0cc8205d898cc806f7330423f9361 [0,0,0,0,0,1|2,0,1]=4 205 B12R1.100 CCCCN1CC(=O)NC(C1)C ef388ea3bccd1950b8af1e51ff82249a [0,0,0,0,0,1|2,0,1]=4 206 B12R1.100 CCCCN1CC(=O)N[C@@H](C1)C 411aa40c4ae1073e59b1c577f85cdca3 [0,0,0,0,0,1|2,0,1]=4 207 B12R1.100 CCCCN1CC(=O)N[C@H](C1)C 49fee51c77abda853282c49552f37a9c [0,0,0,0,0,1|2,0,1]=4 208 B12R1.100 CCCNc1cc(oc(=O)c1)C a1c812e345e097edfc63c112ad08cfb7 [0,0,0,0,0,1|1,0,1]=3 209 B12R1.100 CCCOC1=CC(=O)O[C@@H](C1)C 498b2744fe8d6704f267bc8d93228300 [0,0,0,0,0,1|1,0,1]=3 210 B12R1.100 CCCOc1cc(oc(=O)c1)C f7687282d28365dca83615bb6d052727 [0,0,0,0,0,1|1,0,1]=3 211 B12R1.100 COCNc1cc(oc(=O)c1)C 7d4f72dde746115c0f3b43bd54573e8c [0,0,0,0,0,1|2,0,1]=4 212 B12R1.100 COCOC1=CC(=O)O[C@@H](C1)C 9a6b372a6c6a420dd084eb384985ee93 [0,0,0,0,0,1|2,0,1]=4 213 B12R1.100 COCOc1cc(oc(=O)c1)C f3be0015fd9a27a78365d8aaf27747d7 [0,0,0,0,0,1|2,0,1]=4 214 B12R1.100 CSCNc1cc(oc(=O)c1)C a139aa95109945b6e1eaf4eeec6db282 [0,0,0,0,0,1|2,0,1]=4 215 B12R1.100 CSCOc1cc(oc(=O)c1)C 07285b426139ffd14bfb12c1abe7ec68 [0,0,0,0,0,1|2,0,1]=4 216 B12R1.100 C[C@@H]1CC(=CC(=O)O1)OCCF 1f740a96b060f69e46553e8d9cae78f5 [0,0,0,0,0,1|2,0,1]=4 217 B12R1.100 C[C@@H]1CC(=CC(=O)O1)OCCS ddafadd5509c600defe018d59ccd2fda [0,0,0,0,0,1|2,0,1]=4 218 B12R1.100 Cc1cc(cc(=O)o1)NCCBr 90691ca422316a44d308bcbdcdaecd07 [0,0,0,0,0,1|2,0,1]=4 219 B12R1.100 Cc1cc(cc(=O)o1)NCCF 5fcd123e81dd6f2b5014188872b6bcd0 [0,0,0,0,0,1|2,0,1]=4 220 B12R1.100 Cc1cc(cc(=O)o1)NCCI c67c10223b343ca0d15719ce3a6ca022 [0,0,0,0,0,1|2,0,1]=4 221 B12R1.100 Cc1cc(cc(=O)o1)NCCO eeefb1e4966f513504c5d40ea9b92f86 [0,0,0,0,0,1|2,0,1]=4 222 B12R1.100 Cc1cc(cc(=O)o1)NCCS 2026953162520e104c6650160b78a74f [0,0,0,0,0,1|2,0,1]=4 223 B12R1.100 Cc1cc(cc(=O)o1)OCCF 99c37093dc1e4be669c8b8e0d4cc04c2 [0,0,0,0,0,1|2,0,1]=4 224 B12R1.100 Cc1cc(cc(=O)o1)OCCS 21e33c6931e15478ef92b6d482ac6cdc [0,0,0,0,0,1|2,0,1]=4 225 B12R1.374 CCCNc1cc(n[nH]c1=O)C 3051387db891094884e7f57ed68196e3 [0,0,0,0,0,1|2,0,1]=4 226 B12R1.374 CCCOc1cn(ccc1=O)C 040a9c144eb32695c744de2a5ed6aed5 [0,0,0,0,0,1|3,0,0]=4 227 B9R0.5 CCCCCC(C)NC=O 8ebcf0f9aaad2891aad2d805d5730b90 [1,0,1,0,0,0|1,0,1]=4 228 B9R0.5 CCCCC[C@H](C)NC=O e9ec5cd528aff38be097392db8efa5ac [1,0,1,0,0,0|1,0,1]=4 229 B9R0.5 CCCCNC(=O)CCC 2cce597b848ae107def59bee54a0a0bb [1,0,1,0,0,0|2,0,0]=4 230 B9R0.5 CCCNCC(=O)OCC 96e18210e8c47913fa01fa11b9b136be [1,0,1,0,0,0|1,0,1]=4 231 B9R0.5 CCCOCC(=O)OCC 0b34840e3da522061b00dd308581ea5c [1,0,1,0,0,0|1,0,1]=4 232 B9R0.5 CCNCCC(=O)OCC 2335a4402c7edabd02b888af3e7ee79f [1,0,1,0,0,0|1,0,1]=4 233 B9R0.5 CCOCCC(=O)OCC 09e1caf8e51242de5bdcbf4174bb2e9c [1,0,1,0,0,0|1,0,1]=4 234 B9R0.45 CCCC/C=C/COCC 054a7450f451f94427ddda8cd9685a27 [1,0,1,0,0,0|1,0,1]=4 235 B9R0.45 CCCC/C=C/COCF 57bc10b07f573c8f193a7f880638046b [1,0,1,0,0,0|1,0,1]=4 236 B9R0.45 CCCCOCCOC=O 731530ac43d06b0807181f538b37c31d [1,0,1,0,0,0|1,0,1]=4 237 B9R0.46 CCCCCNC(C)C=O a1e76f644541968a2425e9e5ecba0c50 [1,0,1,0,0,0|1,0,1]=4 238 B9R0.46 CCCCCN[C@H](C)C=O f165fdff1e1cb70bd9666da848ba80ab [1,0,1,0,0,0|1,0,1]=4 239 B9R0.46 CCCCCOC(C)C=O e16af054a8530937c558322756befd3b [1,0,1,0,0,0|1,0,1]=4 240 B9R0.46 CCCCCO[C@H](C)C=O a119465539c723056c69d3cef66a5d39 [1,0,1,0,0,0|1,0,1]=4 241 B9R0.4 CCCNC(=O)CC(C)O 7110cd96b9f553bdbd25c874da6cd8e3 [1,0,1,0,0,0|1,0,1]=4 242 B9R0.4 CCCNC(=O)C[C@@H](C)O 3cf3a463b314165c7bf9273f0f25f256 [1,0,1,0,0,0|1,0,1]=4 243 B9R0.4 CCCNC(=O)C[C@H](C)O fa4a14e2d0b155af615e65989556a1f9 [1,0,1,0,0,0|1,0,1]=4 244 B9R0.4 CCOCC(=O)OC(C)C a46f2e33e4c4b2ce3b4ebe5c5f8af7d8 [1,0,1,0,0,0|1,0,1]=4 245 B9R0.8 C=C(COCC)C(=O)OC ae9c69942d2175975ce6919e23e76991 [1,0,1,0,0,0|1,0,0]=3 246 B9R0.8 C=C(COCF)C(=O)OC 9fb9e20113e074bcf1b9aa06545d64b4 [1,0,1,0,0,0|2,0,0]=4 247 B9R0.8 CCCCN(C)C(=O)CC 0e002209ec811d39c4d1fc3cb831356f [1,0,1,0,0,0|1,0,1]=4 248 B9R0.8 CCCNC(=O)C(=O)CC 50c3528e2a3a36795036ff6fd39f19ea [1,0,1,0,0,0|2,0,0]=4 249 B9R0.8 CCCNC(=O)C(=O)OC 4b33c548ce70d1a847225c6eb880f588 [1,0,1,0,0,0|2,0,0]=4 250 B9R0.14 CCCN(C=O)CC(C)O 705e15c8a2a205eb0f8be6137aa0c707 [1,0,1,0,0,0|1,0,1]=4 251 B9R0.40 CCCCN(C=O)CCC be8b9ffc5e8551c44e5ab58b1828a0f7 [1,0,1,0,0,0|1,0,1]=4 252 B9R0.40 CCCCN(C=O)CCO 17787dd5e4fe64ab300ff2422659355e [1,0,1,0,0,0|1,0,1]=4 253 B9R0.13 C/C=C(\OCCC)/C(=O)O 805835d2fd7a7175bc2df69132bafc8c [1,0,1,0,0,0|1,0,0]=3 254 B9R0.13 C/C=C(\OCCF)/C(=O)O 4c391258a63af4912dc1a19cc30f3f17 [1,0,1,0,0,0|2,0,0]=4 255 B9R0.13 C/C=C(\OCCS)/C(=O)O dc4d3470500c2b5f90dbe050d8f95d15 [1,0,1,0,0,0|2,0,0]=4 256 B9R0.13 C/C=C(\OCOC)/C(=O)O ecdcb7748e59f7015e37a61c03c6e3e7 [1,0,1,0,0,0|2,0,0]=4 257 B9R0.13 C/C=C(\OCSC)/C(=O)O 9c894bfd9598c733e4f3bb22ad8e947c [1,0,1,0,0,0|2,0,0]=4 258 B9R0.13 CCCCN(CC)C(=O)C 6dcc903ab553d1d8d7c18d1a9b5cfc71 [1,0,1,0,0,0|2,0,0]=4 259 B9R0.13 CCCNC(CC)C(=O)O f069c353f507c75e209c8348074371d9 [1,0,1,0,0,0|1,0,1]=4 260 B9R0.13 CCCN[C@@H](CC)C(=O)O 4af529648ddb980425c401ff5a4b13f1 [1,0,1,0,0,0|1,0,1]=4 261 B9R0.13 CCCN[C@H](CC)C(=O)O 61d39a4878aa39f0678d7acfbc68cb8c [1,0,1,0,0,0|1,0,1]=4 262 B9R0.13 CCCOC(CC)C(=O)O 3313398866cda9d19c5a77c88cc36eb1 [1,0,1,0,0,0|1,0,1]=4 263 B9R0.13 CCCO[C@@H](CC)C(=O)O cc9a140b3b6be041090ec10f8ce0cd25 [1,0,1,0,0,0|1,0,1]=4 264 B9R0.13 CCCO[C@H](CC)C(=O)O 8d217e6f2224fafe55f85fa98a7934d5 [1,0,1,0,0,0|1,0,1]=4 265 B9R0.13 CCNC[C@H](CC)C(=O)O cffe2fea12875251a32367199af5f540 [1,0,1,0,0,0|1,0,1]=4 266 B9R0.15 CCCC(NCC)C(=O)O f2e2b8b008631e59d77116738a0c0fba [1,0,1,0,0,0|1,0,1]=4 267 B9R0.15 CCCC(OCC)C(=O)O 557cdda2d42ce9925ebe94072fd2dc3e [1,0,1,0,0,0|1,0,1]=4 268 B9R0.15 CCC[C@@H](NCC)C(=O)O bcd7e5b46a98d62b8fefec1947a32cbd [1,0,1,0,0,0|1,0,1]=4 269 B9R0.15 CCC[C@@H](OCC)C(=O)O e0fb7807d37784e305105182208c5882 [1,0,1,0,0,0|1,0,1]=4 270 B9R0.15 CCC[C@H](NCC)C(=O)O 08b9411a50dce8c79cf1fe750267cab5 [1,0,1,0,0,0|1,0,1]=4 271 B9R0.15 CCC[C@H](OCC)C(=O)O b55cb319009947167c9d3030186a699d [1,0,1,0,0,0|1,0,1]=4 272 B9R1.12 CCCNc1ccoc1 cc4f6f51569c182aca4da58e5f019c78 [2,0,0,0,0,0|1,0,1]=4 273 B9R1.12 CCCNc1cnoc1 7187c9b6458116c29751d2ac51a34544 [2,0,0,0,0,0|2,0,0]=4 274 B9R1.12 CCCOc1cnoc1 7ef6e28be5c71f134588464c20303dfc [2,0,0,0,0,0|2,0,0]=4 275 B9R1.12 CCNCc1ccoc1 790b339bd93664fda272fb5f895d2be9 [2,0,0,0,0,0|1,0,1]=4 276 B9R1.12 CCNCc1cnoc1 ad3711880673aa10ab434b55ed0c25d5 [2,0,0,0,0,0|2,0,0]=4 277 B9R1.12 CCOCc1cnoc1 c3648cfad9addac3215b78c4fc9942fc [2,0,0,0,0,0|2,0,0]=4 278 B9R1.33 CCOC1=CCCC1=O 9fef6e163e059a9e927a72209e5c8e3f [2,0,0,0,0,0|2,0,0]=4 279 B11R0.2 CCCCCNC(C)OC(=O)C 651d421f1dff9a2897abeac0ec7ca1a5 [0,1,1,0,0,0|1,0,1]=4 280 B11R0.2 CCCCCOC(C)OC(=O)C b3f4881419ed11c1fe16fad8e148a6d9 [0,1,1,0,0,0|1,0,1]=4 281 B11R0.81 CCCCCCC(C)OCC=O ade50a42a05ac573010d986a97b1212a [0,1,1,0,0,0|0,0,2]=4 282 B11R0.81 CCCCCC[C@@H](C)OCC=O 4d298c9b95f21a7e0d2021131da47179 [0,1,1,0,0,0|0,0,2]=4 283 B11R0.81 CCCCCC[C@H](C)OCC=O e919d7296b8c04a4998ac9a92454377b [0,1,1,0,0,0|0,0,2]=4 284 B11R0.81 CCCCOCC(C)OCC=O 4ec97aebde4285e27b8683843835bd1d [0,1,1,0,0,0|1,0,1]=4 285 B11R0.155 CCCCNC(=O)C(C)NC=O 57f390a90721e3d7169689c46a556aa5 [0,1,1,0,0,0|2,0,0]=4 286 B11R0.155 CCCCNC(=O)[C@H](C)NC=O feed616946ab27c74cbd18f53a8835b9 [0,1,1,0,0,0|2,0,0]=4 287 B11R0.155 CCCCOC(=O)[C@H](C)NC=O 3c11e4a2057ceb6548d0204c8b0d279f [0,1,1,0,0,0|2,0,0]=4 288 B11R0.154 C=CC(C)CC(=O)NCCCC f4f9b013b929ec1f8c72bfea17a299d3 [0,1,1,0,0,0|2,0,0]=4 289 B11R0.154 C=CC(C)NC(=O)/C=C/CCC 2383aa3db8c6d50e9ef9775741b83d92 [0,1,1,0,0,0|1,0,1]=4 290 B11R0.154 C=CC(C)NC(=O)C=CCCC 4b035d84ad5484cd9649de12bc625455 [0,1,1,0,0,0|1,0,1]=4 291 B11R0.154 C=CC(C)NC(=O)CCCCC b868782804cb2797fc7ff5fcf4d323cf [0,1,1,0,0,0|1,0,1]=4 292 B11R0.154 C=CC(C)NC(=O)NCCCC 1d466815d72d16c720438bc25d59befb [0,1,1,0,0,0|2,0,0]=4 293 B11R0.11 CCCCC(=O)C(=O)NCCBr c9ad310b8cd4798d59afe4b7ac5a43ec [0,1,1,0,0,0|2,0,0]=4 294 B11R0.11 CCCCC(=O)C(=O)NCCC e1804b67f5cab6647a646a4771ff5ea2 [0,1,1,0,0,0|2,0,0]=4 295 B11R0.11 CCCCC(=O)C(=O)NCCF 781087f821303b07888f68747ca8d17d [0,1,1,0,0,0|2,0,0]=4 296 B11R0.11 CCCCC(=O)C(=O)NCCI 12dd3a8c5a9fdf8029622398bc791480 [0,1,1,0,0,0|2,0,0]=4 297 B11R0.11 CCCCC(=O)C(=O)NCCO 5e40d9cce485eb6ef227b16863614385 [0,1,1,0,0,0|2,0,0]=4 298 B11R0.11 CCCCC(=O)C(=O)NCCS c133a926fda2b57bbe90f009b2b9b978 [0,1,1,0,0,0|2,0,0]=4 299 B11R0.11 CCCCN(C)C(=O)COCC b25351f0c8f155bad8decb46626aa368 [0,1,1,0,0,0|1,0,1]=4 300 B11R0.43 C=C(CN(C)CC)C(=O)OCC 14c2f305631e5a52baeab38cc5fd632a [0,1,1,0,0,0|1,0,0]=3 301 B11R0.43 CCOC(=O)C(=O)NC(C)CC b9e687c7aa30129c4de787be206de9e2 [0,1,1,0,0,0|2,0,0]=4 302 B11R0.43 CCOC(=O)C(=O)N[C@@H](C)CC 6c6951de5cdb122548f26fb19ff721e2 [0,1,1,0,0,0|2,0,0]=4 303 B11R0.43 CCOC(=O)C(=O)N[C@H](C)CC 64f51a6c28cde1c060bc287624597d15 [0,1,1,0,0,0|2,0,0]=4 304 B11R0.59 C=C(COC(C)C)C(=O)OCC 78338dd125943d7d95c10f10361682ee [0,1,1,0,0,0|1,0,0]=3 305 B11R0.59 CCOC(=O)C(=O)NCC(C)C 0362ae8d0deaaba77818b0fbb05e7cae [0,1,1,0,0,0|2,0,0]=4 306 B11R0.59 CCOC(=O)C(=O)NCC(C)O b0eb4e581bf74ac83e922bbcecb34ce5 [0,1,1,0,0,0|2,0,0]=4 307 B11R0.59 CCOC(=O)C(=O)NC[C@@H](C)O 9e6bfbace4e49c71299fdeeba62ddc7f [0,1,1,0,0,0|2,0,0]=4 308 B11R0.59 CCOC(=O)C(=O)NC[C@H](C)O d983273695158a2f5f75040184286e6e [0,1,1,0,0,0|2,0,0]=4 309 B11R0.73 CCCCC(=O)C(=O)N(C)CC e203783e5b872bc577cf21438db545ec [0,1,1,0,0,0|2,0,0]=4 310 B11R0.177 CCCN(C)C(=O)C(=O)OCC 6a6dc1ede107747f513f4d1804989f56 [0,1,1,0,0,0|2,0,0]=4 311 B11R0.191 CCCNC(C=O)C(=O)OCC ba755caedec60f81fa23cb8b45669d82 [0,1,1,0,0,0|1,0,1]=4 312 B11R0.191 CCCOC(C=O)C(=O)OCC ab12fed12727522f20947947a7fed23a [0,1,1,0,0,0|1,0,1]=4 313 B11R0.36 CCCCC(COCC)C(=O)O 95ffbf80b72946647c18bcb449d698a0 [0,1,1,0,0,0|0,0,2]=4 314 B11R0.36 CCCCC(NCCC)C(=O)O 07745ad745f82fb418fdb310d8c0c2fb [0,1,1,0,0,0|0,0,2]=4 315 B11R0.36 CCCCC(NCCF)C(=O)O 4cd40bcf883a6200ad3f9004619538f5 [0,1,1,0,0,0|1,0,1]=4 316 B11R0.36 CCCCC(NCCI)C(=O)O 56b2026c3fa89f6b24b57d72840c637f [0,1,1,0,0,0|1,0,1]=4 317 B11R0.36 CCCCC(NCCO)C(=O)O 7968d8500bf604ac53bd53fe064e93b7 [0,1,1,0,0,0|1,0,1]=4 318 B11R0.36 CCCCC(NCOC)C(=O)O 29abda64b7cb86089156159b72e59f6d [0,1,1,0,0,0|1,0,1]=4 319 B11R0.36 CCCCC(NCSC)C(=O)O d95287f1fac1a66a70726bec36151f6f [0,1,1,0,0,0|1,0,1]=4 320 B11R0.36 CCCCC(OCCC)C(=O)O 1b204540e621a0884f60e8752d5fba4d [0,1,1,0,0,0|0,0,2]=4 321 B11R0.36 CCCCC(OCCF)C(=O)O 54dd359701d67ea65bd390ec1bfb8374 [0,1,1,0,0,0|1,0,1]=4 322 B11R0.36 CCCCC(OCCS)C(=O)O 440aa0223ee76da908b4437fb54e163f [0,1,1,0,0,0|1,0,1]=4 323 B11R0.36 CCCCC(OCOC)C(=O)O 4ed11061f05dc8edbd39ed85ee6a81cd [0,1,1,0,0,0|1,0,1]=4 324 B11R0.36 CCCCC(OCSC)C(=O)O f4cfd4268bba7f21e1608bdd677ecc2f [0,1,1,0,0,0|1,0,1]=4 325 B11R0.36 CCCC[C@@H](COCC)C(=O)O b18b36dad66c2879cf1b0df124eb7cfc [0,1,1,0,0,0|0,0,2]=4 326 B11R0.36 CCCC[C@@H](NCCC)C(=O)O 3f08467579db3dc7f36835f120f0ca32 [0,1,1,0,0,0|0,0,2]=4 327 B11R0.36 CCCC[C@@H](NCCF)C(=O)O 9efe343005fa5b416d066fc67fcd02a2 [0,1,1,0,0,0|1,0,1]=4 328 B11R0.36 CCCC[C@@H](NCCO)C(=O)O 475875d376e586a00b98dada6db2d5cc [0,1,1,0,0,0|1,0,1]=4 329 B11R0.36 CCCC[C@@H](NCOC)C(=O)O 5893dfbd03f45a17ddc064ce4c2f9c2f [0,1,1,0,0,0|1,0,1]=4 330 B11R0.36 CCCC[C@@H](NCSC)C(=O)O d44a78d8f8b449edf796e97c9ba509ff [0,1,1,0,0,0|1,0,1]=4 331 B11R0.36 CCCC[C@@H](OCCC)C(=O)O ac16b06bee3d3b07ea6dbf712553ecc5 [0,1,1,0,0,0|0,0,2]=4 332 B11R0.36 CCCC[C@@H](OCCF)C(=O)O bc250398f53ae1d49ff41c95c3857090 [0,1,1,0,0,0|1,0,1]=4 333 B11R0.36 CCCC[C@@H](OCSC)C(=O)O 0c6860078bc89b4221d741e67e411378 [0,1,1,0,0,0|1,0,1]=4 334 B11R0.36 CCCC[C@H](COCC)C(=O)O 67fa1f066a81a5bcc866879c09c0d7cf [0,1,1,0,0,0|0,0,2]=4 335 B11R0.36 CCCC[C@H](NCCC)C(=O)O 1d4aa0e17eb2440477b1c3cbff85880c [0,1,1,0,0,0|0,0,2]=4 336 B11R0.36 CCCC[C@H](NCCF)C(=O)O 993cf0a2638929f4fe7804a5932b72ff [0,1,1,0,0,0|1,0,1]=4 337 B11R0.36 CCCC[C@H](NCCO)C(=O)O 69bc5327caec27e05382ff1305d09223 [0,1,1,0,0,0|1,0,1]=4 338 B11R0.36 CCCC[C@H](NCOC)C(=O)O 72558cb11e9ee69134d2880b594b724e [0,1,1,0,0,0|1,0,1]=4 339 B11R0.36 CCCC[C@H](NCSC)C(=O)O 2db85255d4d8ec10260ea38d28399738 [0,1,1,0,0,0|1,0,1]=4 340 B11R0.36 CCCC[C@H](OCCC)C(=O)O 7b2f0cf78335fe44b8b70c3ab9f2592f [0,1,1,0,0,0|0,0,2]=4 341 B11R0.36 CCCC[C@H](OCCF)C(=O)O 7d1208d24edef1a1f1bae506e34a8e83 [0,1,1,0,0,0|1,0,1]=4 342 B11R0.36 CCCC[C@H](OCSC)C(=O)O acd6bacd1831b0695d0daca8997baf40 [0,1,1,0,0,0|1,0,1]=4 343 B11R0.38 CCCCN(CCC)C(=O)CO 5f901ac129075d090c8e5e62133ffe2f [0,1,1,0,0,0|1,0,1]=4 344 B11R0.57 CCCC(C)C(NCC)C(=O)O 629b6b4481ee5fbc5cde0cbc54d6955a [0,1,1,0,0,0|1,0,1]=4 345 B11R0.78 CCCCCC(NCC)C(=O)O ab793236d4da3a36eedcd4012aaf7cce [0,1,1,0,0,0|1,0,1]=4 346 B11R0.78 CCCCCC(OCC)C(=O)O 823667956c11a2be178f1106421f9d04 [0,1,1,0,0,0|1,0,1]=4 347 B11R0.78 CCCCC[C@@H](NCC)C(=O)O 8429ba3a236ab0a094130c54d35417bb [0,1,1,0,0,0|1,0,1]=4 348 B11R0.78 CCCCC[C@H](NCC)C(=O)O 702aa6238a800b2b863778a22e6034b9 [0,1,1,0,0,0|1,0,1]=4 349 B11R0.78 CCCCNC(CCC)C(=O)O 9d24905de8a0902d77303445079e6ee3 [0,1,1,0,0,0|0,0,2]=4 350 B11R0.78 CCCCN[C@@H](CCC)C(=O)O 83ddc85788c554ebe1ebe68d3d3a5a25 [0,1,1,0,0,0|0,0,2]=4 351 B11R0.78 CCCCN[C@H](CCC)C(=O)O a28378ac8e96d4d194fb3d5e07093a8e [0,1,1,0,0,0|0,0,2]=4 352 B11R0.78 CCCCOC(CCC)C(=O)O c46792fac75dec5a9f36e82e6cbd1a6a [0,1,1,0,0,0|0,0,2]=4 353 B11R0.78 CCCCO[C@@H](CCC)C(=O)O 6628783e3985e44b5f5a4ee202f375c2 [0,1,1,0,0,0|0,0,2]=4 354 B11R0.78 CCCCO[C@H](CCC)C(=O)O 8d0a739cafd47c6983c5914bae616296 [0,1,1,0,0,0|0,0,2]=4 355 B11R0.78 CCCNCC(CCC)C(=O)O 91ba6bff21d07b0cbfc07f6d6dbb1bf5 [0,1,1,0,0,0|0,0,2]=4 356 B11R0.78 CCCNC[C@H](CCC)C(=O)O 9a0a5d102f3dd77063b55fee1f348653 [0,1,1,0,0,0|0,0,2]=4 357 B11R0.78 CCCOC[C@@H](CCC)C(=O)O a48991274ec28bc23e6aaa8932355b27 [0,1,1,0,0,0|0,0,2]=4 358 B11R0.78 CCCSCC(NCC)C(=O)O e01db16fdf9e3d9f76908a9c6c0092fc [0,1,1,0,0,0|1,0,1]=4 359 B11R0.78 CCNC(CCCSC)C(=O)O 3d04e76206c51ed78c16968dd9edcd8b [0,1,1,0,0,0|1,0,1]=4 360 B11R0.78 CCNC(CCSCC)C(=O)O 65ca7e57eff27c2589180f9e25d2e040 [0,1,1,0,0,0|1,0,1]=4 361 B11R0.78 CCN[C@@H](CCCCO)C(=O)O 910e29b220e8bbe233b53cc11a0e115c [0,1,1,0,0,0|1,0,1]=4 362 B11R0.78 CCN[C@@H](CCCSC)C(=O)O 1a5e0bd71db49918531afc83e29687ee [0,1,1,0,0,0|1,0,1]=4 363 B11R0.78 CCN[C@@H](CCOCC)C(=O)O 0438a49018b9bc1fa73dc24ea6b62c67 [0,1,1,0,0,0|1,0,1]=4 364 B11R0.78 CCN[C@@H](CCSCC)C(=O)O b17c8f0b0b9cebd7d259e98182e3d0dc [0,1,1,0,0,0|1,0,1]=4 365 B11R0.78 CCN[C@H](CCCCO)C(=O)O 24d99f6ddde76be74c64949dc16aa72b [0,1,1,0,0,0|1,0,1]=4 366 B11R0.78 CCN[C@H](CCCSC)C(=O)O 704df1157322aba744dbaaea5972ec52 [0,1,1,0,0,0|1,0,1]=4 367 B11R0.78 CCN[C@H](CCSCC)C(=O)O 2debaa047fbaf2df64ec503395ff854a [0,1,1,0,0,0|1,0,1]=4 368 B11R0.146 CCNC(CCC(C)C)C(=O)O 7dbb9a3935ae2f7e17989721efa06ba4 [0,1,1,0,0,0|1,0,1]=4 369 B11R0.146 CCN[C@@H](CCC(C)C)C(=O)O bd4c7bc6d9f6deb6da97224fc8dec47d [0,1,1,0,0,0|1,0,1]=4 370 B11R0.146 CCN[C@H](CCC(C)C)C(=O)O fd26be9822462cfff47d272783fc47e4 [0,1,1,0,0,0|1,0,1]=4 371 B11R0.146 CCO[C@@H](CCC(C)C)C(=O)O fa1107a87538dc638276e631fefa8c85 [0,1,1,0,0,0|1,0,1]=4 372 B11R0.146 CCO[C@H](CCC(C)C)C(=O)O d1567584206128e84d12036afb307e75 [0,1,1,0,0,0|1,0,1]=4 373 B11R0.167 CCCCC(C(=O)O)N(C)CC bdb99e7b943ca8e8e9f480c6a084c972 [0,1,1,0,0,0|1,0,1]=4 374 B11R0.167 CCCC[C@@H](C(=O)O)N(C)CC 2dd4be213606502ac68d31264123161e [0,1,1,0,0,0|1,0,1]=4 375 B11R0.236 CCNC(CC(C)CC)C(=O)O 7e033da7b838b4f8a3220fe02c67187c [0,1,1,0,0,0|1,0,1]=4 376 B11R1.27 CCCCNc1cc(on1)C bb2a1519a361d1f0c867f93d83c67ac8 [1,1,0,0,0,0|1,0,1]=4 377 B11R1.27 CCCCNc1cnn(c1)C b0ab219726014454f64f68b94b293e25 [1,1,0,0,0,0|2,0,0]=4 378 B11R1.27 CCCCOc1cnn(c1)C 27cd8d20d1b6c99d89e11bf64a3c54f3 [1,1,0,0,0,0|2,0,0]=4 379 B11R1.27 CCCNCc1cc(on1)C 04c3f8aa1e38a8364d8495e2ad6712b6 [1,1,0,0,0,0|1,0,1]=4 380 B11R1.27 CCCNCc1cnn(c1)C f662651d01b20cf69ded943110b2e00a [1,1,0,0,0,0|2,0,0]=4 381 B11R1.27 CCCNCc1coc(n1)C 85c28b540d928c4f3550dd4519a22094 [1,1,0,0,0,0|1,0,1]=4 382 B11R1.27 CCCNCc1csc(c1)C 9a64ea93073e56a042d4e4dddb9fd87b [1,1,0,0,0,0|0,1,1]=4 383 B11R1.27 CCCOCc1cc(on1)C 68daf4c3d3a39ed123c6a7add525e734 [1,1,0,0,0,0|1,0,1]=4 384 B11R1.27 CCCOCc1ccn(c1)C 04487c356d6b86329f0e108dac432029 [1,1,0,0,0,0|2,0,0]=4 385 B11R1.27 CCCOCc1cnn(c1)C ffb34d1e0a08d20064d83ca1fbde0f58 [1,1,0,0,0,0|2,0,0]=4 386 B11R1.27 CCCOCc1coc(c1)Br 3d4050a756fcb8346ff7f38eca57b798 [1,1,0,0,0,0|1,0,1]=4 387 B11R1.27 CCCOCc1coc(n1)C 5481de95b91a0ce48ac510e155b0b93d [1,1,0,0,0,0|1,0,1]=4 388 B11R1.27 CCCOCc1csc(c1)C 6ed9e15134f28daa9511353c1276449d [1,1,0,0,0,0|0,1,1]=4 389 B11R1.27 CCNCCc1cnn(c1)C dbe989e10e083f70178756c4958b0be7 [1,1,0,0,0,0|2,0,0]=4 390 B11R1.27 CCOCCc1cnn(c1)C 7e178ee7306dde2ee134dd085827f581 [1,1,0,0,0,0|2,0,0]=4 391 B11R1.214 CCNCc1coc(c1)CO c0525ec6615846e210dbeee8b15bbbba [1,1,0,0,0,0|1,0,1]=4 392 B11R1.18 CCCNc1ccoc1C=O 8564ee0f606b121f43acfb4d5d51b6b6 [1,1,0,0,0,0|1,0,1]=4 393 B11R1.90 CC(C)COC1=CCCC1=O eddcf6fcace84a60857cd8a7b77287e4 [1,1,0,0,0,0|2,0,0]=4 394 B11R1.90 CC(C)OCC1=CCCC1=O 7755118c9cb81b8ff4d8449004c09a5e [1,1,0,0,0,0|2,0,0]=4 395 B11R1.180 CCCCN[C@@H]1CCOC1=O ed0730bf918a90319664293109727836 [1,1,0,0,0,0|0,0,2]=4 396 B11R1.180 CCCCN[C@H]1CCOC1=O bc1ff4fc4b1cbd2b8e734ea1a24a3145 [1,1,0,0,0,0|0,0,2]=4 397 B11R1.180 CCCCNc1cnoc1C 06e1e007241ba9f44cae98a7dd8c0607 [1,1,0,0,0,0|2,0,0]=4 398 B11R1.180 CCCCOC1=CCCC1=O 6b420cb525b655e18770337b40a14027 [1,1,0,0,0,0|1,0,0]=3 399 B11R1.180 CCCCOC1CCOC1=O 6b1a411a75446402594aca66d981812a [1,1,0,0,0,0|0,0,2]=4 400 B11R1.180 CCCCO[C@@H]1CCOC1=O 7f089f9be002c56d4ed21d2753984a9f [1,1,0,0,0,0|0,0,2]=4 401 B11R1.180 CCCCO[C@H]1CCOC1=O 3b100f447983d8c65cd8accc2947ac67 [1,1,0,0,0,0|0,0,2]=4 402 B11R1.180 CCCNCc1ccoc1C 9b7aca05722c487e12991f3dd96e11a5 [1,1,0,0,0,0|1,0,1]=4 403 B11R1.180 CCCNCc1cnoc1C 79bde8d385cc22817cef55cc6423fffa [1,1,0,0,0,0|2,0,0]=4 404 B11R1.180 CCCOCC1=CCCC1=O 08399b9b19d3cb72be765f40d7a631c2 [1,1,0,0,0,0|1,0,0]=3 405 B11R1.180 CCCOCc1ccoc1C b1737bdc651811f3eec4c295512263cc [1,1,0,0,0,0|1,0,1]=4 406 B11R1.180 CCCOCc1cnoc1C 08219f3eaef3ef2eab702e1be1dbf4f2 [1,1,0,0,0,0|2,0,0]=4 407 B11R1.180 CCOCOC1=CCCC1=O cf6e2dcfe758b833b17b4cb843b7e0d1 [1,1,0,0,0,0|2,0,0]=4 408 B11R1.180 COCCOC1=CCCC1=O b30960e63e71ac42bc2025e2d1f25f49 [1,1,0,0,0,0|2,0,0]=4 409 B11R1.180 COCOCC1=CCCC1=O 4a84475a6a4c42120bdd54f8e6fe927b [1,1,0,0,0,0|2,0,0]=4 410 B11R1.180 CSCCOC1=CCCC1=O eb9bce98a4096cb74b46ba08dc02a6b4 [1,1,0,0,0,0|2,0,0]=4 411 B11R1.180 CSCOCC1=CCCC1=O 368b5be07d88944a95431d2f4e07d432 [1,1,0,0,0,0|2,0,0]=4 412 B11R1.180 O=C1CCC=C1COCCF 6fce4bc42f812e049a5958d10c75bb1f [1,1,0,0,0,0|2,0,0]=4 413 B11R1.180 O=C1CCC=C1COCCS 5b16b8ce9500a9580ed52dfb34bd3a8e [1,1,0,0,0,0|2,0,0]=4 414 B11R1.180 O=C1CCC=C1OCCCF 9311ebc650aee3041ca34fcb2762ce6a [1,1,0,0,0,0|2,0,0]=4 415 B11R1.180 O=C1CCC=C1OCCCS cda3ac6d41d9a27bc55d5b04b6b5fc9a [1,1,0,0,0,0|2,0,0]=4 416 B11R1.228 CCC(C)OC1=CCCC1=O 55ed9d9266d7347cb5b013c377e162fb [1,1,0,0,0,0|2,0,0]=4 417 B11R1.465 CC1=C(C(=O)OC1)OCCS f596c5101cdf58cddb81953c3f32f6b2 [1,1,0,0,0,0|2,0,0]=4 418 B11R1.465 CCCOC1=C(CCC1=O)C 343adbdaa8ad4b9c7d00e4b83ec30fc3 [1,1,0,0,0,0|2,0,0]=4 419 B11R1.465 CCCOC1=C(COC1=O)C f168f1c97da0e398a09606a2464dbb9b [1,1,0,0,0,0|1,0,0]=3 420 B11R1.465 CCCOC1=C(OCC1=O)C 331405f9365f304f12472c39d9bd19e6 [1,1,0,0,0,0|2,0,0]=4 421 B11R1.465 COCOC1=C(COC1=O)C a51f67ebcf33722178263e3c2eb42a38 [1,1,0,0,0,0|2,0,0]=4 422 B11R1.465 CSCOC1=C(COC1=O)C 093f50b930636e0de62ea645fadc41eb [1,1,0,0,0,0|2,0,0]=4 423 B11R1.598 CC1=C(C(=O)OC1C)OCF 210c929bf9bff4ee93063aaee443e625 [1,1,0,0,0,0|2,0,0]=4 424 B11R1.598 CCOC1=C(C(CC1=O)C)C 2972627cb606716a19959ef27880591b [1,1,0,0,0,0|2,0,0]=4 425 B11R1.598 CCOC1=C(C(OC1=O)C)C 2a8ee17e40238da41632ee3707828ff1 [1,1,0,0,0,0|1,0,0]=3 426 B11R1.598 CCOC1=C(OC(C1=O)C)C 3171cd29f0d7e7ed659f06ad01fc668f [1,1,0,0,0,0|2,0,0]=4 427 B13R1.369 CCCCNc1c[nH]c(nc1=O)C 8c7c47dace1c4ba1ec871ee4cf0efad2 [0,1,0,0,0,1|1,0,1]=4 428 B13R1.369 CCCCNc1ncc([nH]c1=O)C 4df1677cb9fad6b3c009ab030f9e9e3f [0,1,0,0,0,1|1,0,1]=4 429 B13R1.369 CCCCOc1coc(cc1=O)C bde5144fed19c644285a90a0ce4f0a94 [0,1,0,0,0,1|1,0,1]=4 430 B13R1.369 CCCNCc1ccc([nH]c1=O)C ee5ad6a00704c90710bbbc01a9ca467b [0,1,0,0,0,1|1,0,1]=4 431 B13R1.369 CCCOCc1c[nH]c(nc1=O)C 23da5073285b1a339d6fe65325f3be8a [0,1,0,0,0,1|1,0,1]=4 432 B13R1.55 CCCCNc1cc(oc(=O)c1)C dd8ff9671bbfdf43017d85fcf158ec34 [0,1,0,0,0,1|0,0,1]=3 433 B13R1.55 CCCCOC1=CC(=O)O[C@@H](C1)C 8ee3fba721561874d12ab2e893bab12d [0,1,0,0,0,1|0,0,1]=3 434 B13R1.55 CCCCOc1cc(oc(=O)c1)C 2ea7048d9f84bf54275c5fede1c18735 [0,1,0,0,0,1|0,0,1]=3 435 B13R1.55 CCOCNc1cc(oc(=O)c1)C adab2c116a52e90bcb67f09cd8d21270 [0,1,0,0,0,1|1,0,1]=4 436 B13R1.55 COCCNc1cc(oc(=O)c1)C 20d83af2d6024c9ec3fc55bbd118790a [0,1,0,0,0,1|1,0,1]=4 437 B13R1.55 COCCOC1=CC(=O)O[C@@H](C1)C 70dbc44a2c3d9d20a9087d57822d664e [0,1,0,0,0,1|1,0,1]=4 438 B13R1.55 COCCOc1cc(oc(=O)c1)C d5c8faf7f15c690de39ef7d1cfaa3eb5 [0,1,0,0,0,1|1,0,1]=4 439 B13R1.55 CSCCNc1cc(oc(=O)c1)C 9a62682e47456a47cd648327adc0d381 [0,1,0,0,0,1|1,0,1]=4 440 B13R1.55 CSCCOC1=CC(=O)O[C@@H](C1)C 272a97d5e866c72debaf92343b233a9f [0,1,0,0,0,1|1,0,1]=4 441 B13R1.55 CSCCOc1cc(oc(=O)c1)C 8409997be2c1fc1670769b78854e24fc [0,1,0,0,0,1|1,0,1]=4 442 B13R1.55 C[C@@H]1CC(=CC(=O)O1)OCCCF b864fbabc6c89f747779b37efaa886b5 [0,1,0,0,0,1|1,0,1]=4 443 B13R1.55 C[C@@H]1CC(=CC(=O)O1)OCCCS 1c09b3c9cf8ca4d36043b08328239b40 [0,1,0,0,0,1|1,0,1]=4 444 B13R1.55 Cc1cc(cc(=O)o1)NCCCCl 8b26b0acad736e43fbc849d0208da958 [0,1,0,0,0,1|1,0,1]=4 445 B13R1.55 Cc1cc(cc(=O)o1)NCCCF 4cbded7034c6bcc7f5781b7b848aa635 [0,1,0,0,0,1|1,0,1]=4 446 B13R1.55 Cc1cc(cc(=O)o1)NCCCO 2c549d528e737d069bb039d2f389e16a [0,1,0,0,0,1|1,0,1]=4 447 B13R1.55 Cc1cc(cc(=O)o1)NCCCS bc24ae12b2724dee350ff3bacb4c98b1 [0,1,0,0,0,1|1,0,1]=4 448 B13R1.55 Cc1cc(cc(=O)o1)OCCCF 5c39252fbdd7dc8bc5d9525d7365eea5 [0,1,0,0,0,1|1,0,1]=4 449 B13R1.55 Cc1cc(cc(=O)o1)OCCCS 25dbbd694812647d24deaf26a57ffc28 [0,1,0,0,0,1|1,0,1]=4 450 B13R1.123 CCCOc1cc(=O)oc(c1C)C cac53485390e5ceca37725793d195297 [0,1,0,0,0,1|1,0,1]=4 451 B13R1.2874 CCC(C)Nc1cc(oc(=O)c1)C 11dbc6d2970f5c49a0a7b12a4c6bb9e2 [0,1,0,0,0,1|1,0,1]=4 452 B13R1.2874 CCC(C)OC1=CC(=O)O[C@@H](C1)C 982bb47135427b244a04c830e314a8e7 [0,1,0,0,0,1|1,0,1]=4 453 B13R1.2874 CCC(C)Oc1cc(oc(=O)c1)C 7fe7f0ccacffc3364e678947bf9bc2bc [0,1,0,0,0,1|1,0,1]=4 454 B13R1.2874 CC[C@@H](C)Nc1cc(oc(=O)c1)C f277088b9460ef5fe706457c55ef6056 [0,1,0,0,0,1|1,0,1]=4 455 B13R1.2874 CC[C@H](C)Nc1cc(oc(=O)c1)C d2699262e1070ed9c0a4519e253c74ea [0,1,0,0,0,1|1,0,1]=4 456 B13R1.3420 CC(C)COC1=CC(=O)O[C@@H](C1)C 136e63b566b50de6c1a714dca9eb3649 [0,1,0,0,0,1|1,0,1]=4 457 B13R1.3420 Cc1cc(cc(=O)o1)NCC(C)C b3f8e9672f0ac9ef76c9af9e913d032b [0,1,0,0,0,1|1,0,1]=4 458 B13R1.3420 Cc1cc(cc(=O)o1)NCC(C)O 2ead90e02811c04a13a6857fab008717 [0,1,0,0,0,1|1,0,1]=4 459 B13R1.3420 Cc1cc(cc(=O)o1)NC[C@@H](C)O 2f2effe95460d10908ede97cc21a99b7 [0,1,0,0,0,1|1,0,1]=4 460 B13R1.3420 Cc1cc(cc(=O)o1)NC[C@H](C)O 2fe7f5924e6eed0f1b847a52f7b24b7e [0,1,0,0,0,1|1,0,1]=4 461 B13R1.3420 Cc1cc(cc(=O)o1)OCC(C)C 7f57c52f1f952509dd37d74dc824f09d [0,1,0,0,0,1|1,0,1]=4 462 B13R1.656 CCCCNc1cc(n[nH]c1=O)C 6459d4e38b2e310050dc7e02b23a8b22 [0,1,0,0,0,1|1,0,1]=4 463 B13R1.656 CCCCOc1cn(ccc1=O)C e95908115ae64e5aadff1ac5e62697f5 [0,1,0,0,0,1|2,0,0]=4 464 B13R1.454 CCCN(C)c1cc(oc1C=O)C 6f58f1389b9b6627e6f747296c389f45 [0,2,0,0,0,0|1,0,1]=4 465 B13R1.680 CCCCN(C)C1CC(OC1=O)C d6033c041764e3d4b6427e01a73dffb0 [0,2,0,0,0,0|0,0,2]=4 466 B13R1.509 CCCOC1=C(OC(C1=O)C)CC 401e1c47ec3ba16309223cb0d45ecb6f [0,2,0,0,0,0|2,0,0]=4 467 B13R1.660 CCCCNc1cc(oc1C=O)C 507ab673eef3dd656016743b4694f49e [0,2,0,0,0,0|0,0,1]=3 468 B13R1.660 CCCCNc1cc(sc1C=O)C de02d4536ef3e92d9f510d3d41a8a567 [0,2,0,0,0,0|0,1,1]=4 469 B13R1.660 CCCCNc1cn(nc1C=O)C acb1e554b644ba6f3b1a65b94bcb061e [0,2,0,0,0,0|2,0,0]=4 470 B13R1.660 COCCNc1cc(oc1C=O)C 17eb5ac627892a01d86540f957201409 [0,2,0,0,0,0|1,0,1]=4 471 B13R1.660 CSCCNc1cc(oc1C=O)C 4d36e0fe56ff4173facbf7d5598b2a96 [0,2,0,0,0,0|1,0,1]=4 472 B13R1.660 Cc1cc(c(o1)C=O)NCCCCl a65907d0c87f033aa2a23408f6ad810e [0,2,0,0,0,0|1,0,1]=4 473 B13R1.660 Cc1cc(c(o1)C=O)NCCCO 15f2a194dc09344d689374de1823d563 [0,2,0,0,0,0|1,0,1]=4 474 B13R1.2068 Cc1cc(c(o1)C=O)NCC(C)C 1168e9fad42ad0476653a9298cd24c28 [0,2,0,0,0,0|1,0,1]=4 475 B13R1.2068 Cc1cc(c(o1)C=O)NCC(C)O 7a3ca51fcffbb12a71347c138f7033bb [0,2,0,0,0,0|1,0,1]=4 476 B13R1.2068 Cc1cc(c(o1)C=O)NC[C@@H](C)O 273432d0234afc248b4054957161c171 [0,2,0,0,0,0|1,0,1]=4 477 B13R1.2068 Cc1cc(c(o1)C=O)NC[C@H](C)O 8868300c0b9ef8aca19b3383b680a50a [0,2,0,0,0,0|1,0,1]=4 478 B13R1.2984 CCC(C)Nc1cc(oc1C=O)C b16d2b4f878ec70c8d04b5c6874d03cc [0,2,0,0,0,0|1,0,1]=4 479 B13R1.2984 CC[C@@H](C)Nc1cc(oc1C=O)C 40bf8fcc745d6a81e65cca6ff546d4ff [0,2,0,0,0,0|1,0,1]=4 480 B13R1.2984 CC[C@H](C)Nc1cc(oc1C=O)C d820d6ac398be911b9191812115c5626 [0,2,0,0,0,0|1,0,1]=4 481 B13R1.1622 CCC1OC(=O)C(=C1C)OCCF 7768ea41e743c7b49cbe0a2a2a7fb9c0 [0,2,0,0,0,0|2,0,0]=4 482 B13R1.1622 CCC1OC(=O)C(=C1C)OCCS f75b71826c6f594ff12575c47049d6b8 [0,2,0,0,0,0|2,0,0]=4 483 B13R1.1622 CCC1OC(=O)C(=C1C)OCOC d36b4d2db835bcfaa01c968b8f9eb1c4 [0,2,0,0,0,0|2,0,0]=4 484 B13R1.1622 CCC1OC(=O)C(=C1C)OCSC 9e4cc0908cbd20628d3b0ce1dfe7e20c [0,2,0,0,0,0|2,0,0]=4 485 B13R1.1622 CCCOC1=C(C(OC1=O)CC)C 9941659a2a610bd887065c18d0bdea5c [0,2,0,0,0,0|1,0,0]=3 486 B13R1.1622 CCCOC1=C(OC(C1=O)CC)C 550d5a23edb2a491d5f085a8393dd061 [0,2,0,0,0,0|2,0,0]=4 487 B13R1.190 CC1CC(C(=O)O1)NCCCCCl e9665f6536a19ccc391fdd880600f034 [0,2,0,0,0,0|0,0,2]=4 488 B13R1.190 CC1CC(C(=O)O1)NCCCCO 602d6b4579c1def8cf0dbe34bd4ddc3c [0,2,0,0,0,0|0,0,2]=4 489 B13R1.190 CC1CC(C(=O)O1)NCCCCS 320be985d0c2520207992f430ac2ee77 [0,2,0,0,0,0|0,0,2]=4 490 B13R1.190 CC1CC(C(=O)O1)OCCCCF 2fdf517aadc627ff51f5aba905b25e9b [0,2,0,0,0,0|0,0,2]=4 491 B13R1.190 CC1CC(C(=O)O1)OCCCCS 6af7a29f0e3b65cff89a384fb7db138a [0,2,0,0,0,0|0,0,2]=4 492 B13R1.190 CCCCCNC1CC(OC1=O)C 6b3a2f13d21142521233a4587c041e12 [0,2,0,0,0,0|0,0,2]=4 493 B13R1.190 CCCCCOC1CC(OC1=O)C c64d0fba4bfbc9effd9ae13ac3fb8d0c [0,2,0,0,0,0|0,0,2]=4 494 B13R1.190 CCCCNCc1cc(oc1C)C 16bad6af924474795ae500742ab8232d [0,2,0,0,0,0|1,0,1]=4 495 B13R1.190 CCCCOCc1cc(oc1C)C a6559da3cd141bb1790b97afe3753c90 [0,2,0,0,0,0|1,0,1]=4 496 B13R1.190 CCOCCNC1CC(OC1=O)C a58686912f4e2fa5a64e5ededc7a4e8e [0,2,0,0,0,0|0,0,2]=4 497 B13R1.190 CCOCCOC1CC(OC1=O)C b408e9a976131027680fd316f2e40772 [0,2,0,0,0,0|0,0,2]=4 498 B13R1.190 CCOCNCc1cc(oc1C)C 1d1059f25687d89df1cd617ab4077e23 [0,2,0,0,0,0|1,0,1]=4 499 B13R1.190 CCSCCNC1CC(OC1=O)C d704ca996bed427ad43eddd30f33601b [0,2,0,0,0,0|0,0,2]=4 500 B13R1.190 CCSCCOC1CC(OC1=O)C cb1729ec04012913f7c1da305b8752eb [0,2,0,0,0,0|0,0,2]=4 501 B13R1.190 COCCCNC1CC(OC1=O)C a6f64011e0b6acc5dd13f27d4bd440ff [0,2,0,0,0,0|0,0,2]=4 502 B13R1.190 COCCCOC1CC(OC1=O)C 889ee8a838d97f2b99ef41189d746f10 [0,2,0,0,0,0|0,0,2]=4 503 B13R1.190 COCCNCc1cc(oc1C)C 8379b263c2d62d4a3a1814405eff39cd [0,2,0,0,0,0|1,0,1]=4 504 B13R1.190 COCCOCc1cc(oc1C)C c3645f70176fcbaf75c7ccc93444f007 [0,2,0,0,0,0|1,0,1]=4 505 B13R1.190 CSCCCNC1CC(OC1=O)C 758595aed9f62020455b5f70e7845e70 [0,2,0,0,0,0|0,0,2]=4 506 B13R1.190 CSCCCOC1CC(OC1=O)C be151f218e58a94644a191e102e55a4f [0,2,0,0,0,0|0,0,2]=4 507 B13R1.190 CSCCNCc1cc(oc1C)C 08452e9a5c5bee32e5bf7bdb0f147a54 [0,2,0,0,0,0|1,0,1]=4 508 B13R1.190 CSCCOCc1cc(oc1C)C cceff28aa6f3d21ee0b944ab93fedda5 [0,2,0,0,0,0|1,0,1]=4 509 B13R1.190 Cc1cc(c(o1)C)CNCCCF 954d399be70908750774f58613e576b9 [0,2,0,0,0,0|1,0,1]=4 510 B13R1.190 Cc1cc(c(o1)C)CNCCCO be751406c73827350e0ff9e9646e8f04 [0,2,0,0,0,0|1,0,1]=4 511 B13R1.190 Cc1cc(c(o1)C)CNCCCS 6b2d79bac2912a24bc456e4e021ed915 [0,2,0,0,0,0|1,0,1]=4 512 B13R1.190 Cc1cc(c(o1)C)COCCCF 2f7eb8b73f53328f0b1f64b120b50e89 [0,2,0,0,0,0|1,0,1]=4 513 B13R1.190 Cc1cc(c(o1)C)COCCCS 96f9273136cf55972d3253fdbde15db1 [0,2,0,0,0,0|1,0,1]=4 514 B13R1.596 CCC(C)CNC1CC(OC1=O)C ff938d68c5f5c8dc589a74135ca62697 [0,2,0,0,0,0|0,0,2]=4 515 B13R1.596 CCC(C)COC1CC(OC1=O)C b9c9a4e972254253cd44a7adb3c927d7 [0,2,0,0,0,0|0,0,2]=4 516 B13R1.596 CCC(C)NCc1cc(oc1C)C fba09fc43e56a0ed0620253a526b44fa [0,2,0,0,0,0|1,0,1]=4 517 B13R1.596 CCC(C)OCc1cc(oc1C)C 8c6be08157a8ceb5dddd56b9fad63ba1 [0,2,0,0,0,0|1,0,1]=4 518 B13R1.596 CCC(O)CNC1CC(OC1=O)C 69267052f68df96df2672ae14c4b3bbc [0,2,0,0,0,0|0,0,2]=4 519 B13R1.596 CC[C@@H](C)COC1CC(OC1=O)C 999f15faba5407b07e26400c9a73d1bf [0,2,0,0,0,0|0,0,2]=4 520 B13R1.596 CC[C@@H](O)CNC1CC(OC1=O)C aed6e6c7b0297c844392b588bbeb6910 [0,2,0,0,0,0|0,0,2]=4 521 B13R1.596 CC[C@H](C)CNC1CC(OC1=O)C fefe1b5fd3e419a01beb86bf9edc7dcd [0,2,0,0,0,0|0,0,2]=4 522 B13R1.596 CC[C@H](C)COC1CC(OC1=O)C f38b4bfb7456e102c0d64dcb7cc70a4e [0,2,0,0,0,0|0,0,2]=4 523 B13R1.690 CCCC(C)NC1CC(OC1=O)C 7851cadddcd4bf77d649870208ac7018 [0,2,0,0,0,0|0,0,2]=4 524 B13R1.690 CCCC(C)OC1CC(OC1=O)C 06e7fc28bf48ff0c67f80db21cc02249 [0,2,0,0,0,0|0,0,2]=4 525 B13R1.690 CCC[C@@H](C)OC1CC(OC1=O)C 6cb4cdfd7f29cc7503728e744c6814fe [0,2,0,0,0,0|0,0,2]=4 526 B13R1.690 CCC[C@H](C)NC1CC(OC1=O)C fb6d2b7d80da03b32fe34b605e9df494 [0,2,0,0,0,0|0,0,2]=4 527 B13R1.690 CCC[C@H](C)OC1CC(OC1=O)C 6d9b7f8129468fa2f5fb4d83ffee0d61 [0,2,0,0,0,0|0,0,2]=4 528 B13R1.3485 CC(C)CCNC1CC(OC1=O)C a92a93ba44d88ace85f19ec392d81318 [0,2,0,0,0,0|0,0,2]=4 529 B13R1.3485 CC(C)CCOC1CC(OC1=O)C 5204fc6cff85d82469184e6a67b5d6b2 [0,2,0,0,0,0|0,0,2]=4 530 B13R1.3485 CC(O)CCNC1CC(OC1=O)C 8bbe419e4307a125db381ba843a40f5d [0,2,0,0,0,0|0,0,2]=4 531 B13R1.3485 CC1CC(C(=O)O1)NCC[C@@H](C)O e9650772c478bf44d48faf51480d1b13 [0,2,0,0,0,0|0,0,2]=4 532 B13R1.3485 CC1CC(C(=O)O1)NCC[C@H](C)O 198e9b98c50c20dcc36c4c4f8be79d41 [0,2,0,0,0,0|0,0,2]=4 533 B13R1.3485 Cc1cc(c(o1)C)CNCC(C)C 06dd8aee3a3a75d70119258363336569 [0,2,0,0,0,0|1,0,1]=4 534 B13R1.3485 Cc1cc(c(o1)C)CNCC(C)O 5803db89c517871ba37618fa19a026be [0,2,0,0,0,0|1,0,1]=4 535 B13R1.3485 Cc1cc(c(o1)C)CNC[C@@H](C)O aebafde6a2a78218ce8078a93ab75212 [0,2,0,0,0,0|1,0,1]=4 536 B13R1.3485 Cc1cc(c(o1)C)CNC[C@H](C)O e818832f603e6ea9efaa6c737c7b324d [0,2,0,0,0,0|1,0,1]=4 537 B13R1.3485 Cc1cc(c(o1)C)COCC(C)C 68b061add33b33329104c03afdc20d54 [0,2,0,0,0,0|1,0,1]=4 538 B13R1.6200 C#CCCOC1=C(C(OC1=O)C)C 1df712f5d464a4d0393c0f4671d620b9 [0,2,0,0,0,0|0,0,2]=4 539 B13R1.6200 C/C=C/COC1=C(C(OC1=O)C)C 17c401d4f1f878e99c7da6ab66c649ec [0,2,0,0,0,0|0,0,2]=4 540 B13R1.6200 C/C=C\COC1=C(C(OC1=O)C)C ef5718b1ed698d47fcff1b8d98b473f3 [0,2,0,0,0,0|0,0,2]=4 541 B13R1.6200 C=CCCOC1=C(C(OC1=O)C)C 43922d447743081c48eaa8920c8e77d4 [0,2,0,0,0,0|0,0,2]=4 542 B13R1.6200 CC1=C(C(=O)C(O1)C)OCCCF 8ca382760321485bbe2f3d54f8c24749 [0,2,0,0,0,0|2,0,0]=4 543 B13R1.6200 CC1=C(C(=O)C(O1)C)OCCCS 09265b652d25513603a7261d8a570ba2 [0,2,0,0,0,0|2,0,0]=4 544 B13R1.6200 CC1=C(C(=O)CC1C)OCCCF d21f2e8ffedeb05eb49e4fa73934b6d2 [0,2,0,0,0,0|2,0,0]=4 545 B13R1.6200 CC1=C(C(=O)CC1C)OCCCS de315ec7cd95954951625a0ebebe4dc9 [0,2,0,0,0,0|2,0,0]=4 546 B13R1.6200 CC1=C(C(=O)OC1C)OCCC#N 6e722b288e897589539f4f0dd7d02254 [0,2,0,0,0,0|1,0,1]=4 547 B13R1.6200 CC1=C(C(=O)OC1C)OCCC=O 2fbd6fbd91253ea2e0f733ced01a51ef [0,2,0,0,0,0|1,0,1]=4 548 B13R1.6200 CC1=C(C(=O)OC1C)OCCCF d17973eeca180a608c4db01fd6da3673 [0,2,0,0,0,0|1,0,0]=3 549 B13R1.6200 CC1=C(C(=O)OC1C)OCCCS 2358381b894b2d2c443701e8a931d455 [0,2,0,0,0,0|1,0,0]=3 550 B13R1.6200 CCCCOC1=C(C(CC1=O)C)C 0306121706e2caf648f561b7b6463436 [0,2,0,0,0,0|1,0,0]=3 551 B13R1.6200 CCCCOC1=C(C(OC1=O)C)C 830893a13fc6d4166211d4609fadd245 [0,2,0,0,0,0|0,0,0]=2 552 B13R1.6200 CCCCOC1=C(OC(C1=O)C)C b17984f8fc078a96a5731f42f64a5ae9 [0,2,0,0,0,0|1,0,0]=3 553 B13R1.6200 CCOCOC1=C(C(CC1=O)C)C 83bbecb763e87ef7dc403b88001df6a7 [0,2,0,0,0,0|2,0,0]=4 554 B13R1.6200 CCOCOC1=C(C(OC1=O)C)C 3053e37dd65c9920d64c7eafdffe683e [0,2,0,0,0,0|1,0,0]=3 555 B13R1.6200 CCOCOC1=C(OC(C1=O)C)C e8efd375b7a4ba024307b144fe178002 [0,2,0,0,0,0|2,0,0]=4 556 B13R1.6200 COCCOC1=C(C(CC1=O)C)C 58bdfef5b89b6d1c53ac476ab76a89f3 [0,2,0,0,0,0|2,0,0]=4 557 B13R1.6200 COCCOC1=C(C(OC1=O)C)C 806132ecc09e90bded7b0d649c660959 [0,2,0,0,0,0|1,0,0]=3 558 B13R1.6200 COCCOC1=C(OC(C1=O)C)C a305302ded3d6e3bc3108566b11a4259 [0,2,0,0,0,0|2,0,0]=4 559 B13R1.6200 CSCCOC1=C(C(CC1=O)C)C c34ff6f62d2dfa8405e80434138f2ac4 [0,2,0,0,0,0|2,0,0]=4 560 B13R1.6200 CSCCOC1=C(C(OC1=O)C)C 8f20754b3ff4db308b89f22e0dce12a0 [0,2,0,0,0,0|1,0,0]=3 561 B13R1.6200 CSCCOC1=C(OC(C1=O)C)C f3bffe605e75ed96f9fe332f39e19ff8 [0,2,0,0,0,0|2,0,0]=4 562 B13R1.4697 CCC(C)OC1=C(C(CC1=O)C)C 2f26b3539728331317c4ee6f43b69774 [0,2,0,0,0,0|2,0,0]=4 563 B13R1.4697 CCC(C)OC1=C(C(OC1=O)C)C 52f3882c221be0317e275f0366578b8a [0,2,0,0,0,0|1,0,0]=3 564 B13R1.4697 CCC(C)OC1=C(OC(C1=O)C)C d3bb3465afad90fdfceb22bc671c62b2 [0,2,0,0,0,0|2,0,0]=4 565 B13R1.3467 C=C(C)COC1=C(C(OC1=O)C)C c5b8aa406a2a2b6e7784e7a84c52400d [0,2,0,0,0,0|1,0,1]=4 566 B13R1.3467 CC1=C(C(=O)C(O1)C)OCC(C)C 761cc9876fc5b28aaeadbeea2128c5dc [0,2,0,0,0,0|2,0,0]=4 567 B13R1.3467 CC1=C(C(=O)CC1C)OCC(C)C af5aaeee7008c68726702105e56d9e84 [0,2,0,0,0,0|2,0,0]=4 568 B13R1.3467 CC1=C(C(=O)OC1C)OCC(C)C 85380a7a39e3eadf0a2ef14d38c8f239 [0,2,0,0,0,0|1,0,0]=3 569 B13R1.3467 CC1=C(C(=O)OC1C)OCC(F)F b4debf0e7c18cf31459c9fac9661d1b0 [0,2,0,0,0,0|2,0,0]=4 570 B13R1.3467 CC1=C(C(=O)OC1C)OCN(C)C c77975d8289069cd0c8b7b1b1d2a79fc [0,2,0,0,0,0|2,0,0]=4 571 B11R1.78 CCCCNCC1CC(=O)O1 e3a9828b8100c66b7349fbff08f11eda [0,0,1,1,0,0|1,0,1]=4 572 B11R1.78 CCCCOCC1CC(=O)O1 975087ca287ad7024709ba55827da77c [0,0,1,1,0,0|1,0,1]=4 573 B11R1.117 CCOC1/C=C/CCCCC1 abf2246196c4ef31596e50aa932027ef [0,0,1,1,0,0|1,0,1]=4 574 B11R1.117 CCOC1/C=C\CCCCC1 4423aca8181b7315cb102110ae25321b [0,0,1,1,0,0|1,0,1]=4 575 B11R1.117 CCOC1C=CCCCCC1 4c0498546d74402c1ac2d3026b0d1471 [0,0,1,1,0,0|1,0,1]=4 576 B11R1.117 CCO[C@H]1/C=C/CCCCC1 35fa0159511dcaa848d796c12724494e [0,0,1,1,0,0|1,0,1]=4 577 B11R1.117 CCO[C@H]1/C=C\CCCCC1 9faa883b1b12ae88d72c6724171fa26a [0,0,1,1,0,0|1,0,1]=4 578 B11R1.117 FCOC1/C=C/CCCCC1 14e6a379d03c086a4ea82900e267a8df [0,0,1,1,0,0|1,0,1]=4 579 B11R1.117 FCOC1/C=C\CCCCC1 a5f0fee61b6c3cb202ffcc81ce2db7df [0,0,1,1,0,0|1,0,1]=4 580 B11R1.117 FCOC1C=CCCCCC1 d04bfe3f626e598505760b8fca8f78ee [0,0,1,1,0,0|1,0,1]=4 581 B11R1.117 FCO[C@H]1/C=C/CCCCC1 5af450eb2c5d32e7478e75ab1b36caeb [0,0,1,1,0,0|1,0,1]=4 582 B11R1.117 FCO[C@H]1/C=C\CCCCC1 b15eb6b9fe654cf0e1dfb511bf9a6797 [0,0,1,1,0,0|1,0,1]=4 583 B11R1.117 O=CNC1/C=C\CCCCC1 0a820374c9697ae84f9f2147b6caea46 [0,0,1,1,0,0|1,0,0]=3 584 B11R1.189 O=CN[C@@H]1C=CC[C@@H](C1)CO 14bb5b59934c7ed9e10e5e564fa1edbb [0,0,1,1,0,0|2,0,0]=4 585 B11R1.189 O=CN[C@@H]1C=CC[C@H](C1)CO 34951966007a220991851d29752a039d [0,0,1,1,0,0|2,0,0]=4 586 B11R1.189 O=CN[C@H]1C=CC[C@@H](C1)CO f39302ff93ad477449170ac67c061b8c [0,0,1,1,0,0|2,0,0]=4 587 B11R1.189 O=CN[C@H]1C=CC[C@H](C1)CO 2b2ca00366f17ea2a2c78f01fd27bb40 [0,0,1,1,0,0|2,0,0]=4 588 B11R1.17 CCOCC1=CCCCC1=O 6e96c4d7e48fd64b3df6485b28fdd6c1 [0,0,1,1,0,0|2,0,0]=4 589 B11R1.349 CCOC(=O)C(=O)N1CCC1 0f2b9638e4097d4856cfab72f9678a3b [0,0,1,1,0,0|2,0,0]=4 590 B11R1.351 CCOC(=O)C(=O)NC1CC1 6af31b766243d4cc6943dcdd8a0f135f [0,0,1,1,0,0|2,0,0]=4 591 B11R1.9 CC[C@H]1CN(C[C@H](O1)C)C=O bd55136882dfd3e92b721896f4e9259c [0,0,1,1,0,0|1,0,1]=4 592 B11R1.382 CC1(CCCCN(C1)C=O)O 92f38ce996a34293453d79fe34b0777e [0,0,1,1,0,0|1,0,1]=4 593 B11R1.266 CCN1CCC=C(C1)C(=O)O bd5d0a587e6607e4098300762726f647 [0,0,1,1,0,0|1,0,0]=3 594 B11R1.266 O=C(O)C1=CCCN(C1)CF cc475fbba6d8f0096d07b10930e52c3c [0,0,1,1,0,0|2,0,0]=4 595 B11R1.266 O=C(O)C1=CCCN(C1)CO 233496f616d351a4c530d436b356ee1a [0,0,1,1,0,0|2,0,0]=4 596 B11R1.760 CCNC(C(=O)O)C1CCC1 a9e84d5cd0bad4e3fa2e46d8adfd9cac [0,0,1,1,0,0|1,0,1]=4 597 B11R1.760 CCN[C@@H](C(=O)O)C1CCC1 7b75a84df46547fca0b2a0701b090107 [0,0,1,1,0,0|1,0,1]=4 598 B11R1.760 CCN[C@H](C(=O)O)C1CCC1 59c291c1e854f7e64b0dd8c37c950a1d [0,0,1,1,0,0|1,0,1]=4 599 B11R1.760 CCOC(C(=O)O)C1CCC1 95ea1a1e144d9e8ed8579fd46f34514b [0,0,1,1,0,0|1,0,1]=4 600 B11R1.760 CCO[C@@H](C(=O)O)C1CCC1 87df978a5867e218a51485bcfdfce32b [0,0,1,1,0,0|1,0,1]=4 601 B11R1.806 CCNC(CC1CC1)C(=O)O d0be95b4a0ffd028622e690deb8c3c8d [0,0,1,1,0,0|1,0,1]=4 602 B11R1.806 CCN[C@@H](CC1CC1)C(=O)O 9ce9e7b9ec72d159bded68a189549309 [0,0,1,1,0,0|1,0,1]=4 603 B11R1.806 CCN[C@H](CC1CC1)C(=O)O dfa3269ca1bd537d58453944e2944062 [0,0,1,1,0,0|1,0,1]=4 604 B11R1.806 CCOC(CC1CC1)C(=O)O 70695026217df9a87049e1b62d55f81b [0,0,1,1,0,0|1,0,1]=4 605 B11R1.806 CCO[C@@H](CC1CC1)C(=O)O 640057e358c6590d2ca2fd9404e70cd4 [0,0,1,1,0,0|1,0,1]=4 606 B11R1.806 CCO[C@H](CC1CC1)C(=O)O f57747577f1ddf0d57b9cc7e8ca317ae [0,0,1,1,0,0|1,0,1]=4 607 B11R1.1239 CCNC1(CCCC1)C(=O)O 7853b17a8186cd50faeab1383bcf7d07 [0,0,1,1,0,0|1,0,1]=4 608 B13R2.141 Cc1cc(cc(=O)o1)NC2CC2 342e47345908072d4141b33ec4b70608 [0,0,0,1,0,1|1,0,1]=4 609 B13R2.141 Cc1cc(cc(=O)o1)OC2CC2 7b61a1575a5ab2fc56157b112a793276 [0,0,0,1,0,1|1,0,1]=4 610 B13R2.79 Cc1cc(c(o1)C=O)NC2CC2 8ae02f4331859dc4359096af14ddbea2 [0,1,0,1,0,0|1,0,1]=4 611 B13R2.3004 CC1CC(C(=O)O1)NCC2CC2 8231eecf084f69c7356cd4343c68289f [0,1,0,1,0,0|0,0,2]=4 612 B13R2.3004 CC1CC(C(=O)O1)OCC2CC2 5362274ad4b66633e38bc91749ae5807 [0,1,0,1,0,0|0,0,2]=4 613 B13R2.3004 Cc1cc(c(o1)C)CNC2CC2 3bd492e31e2f9c963eccb6592c63a083 [0,1,0,1,0,0|1,0,1]=4 614 B13R2.3004 Cc1cc(c(o1)C)COC2CC2 ecd3d1cb9b0c71eced6d436b014ede0e [0,1,0,1,0,0|1,0,1]=4 615 B13R2.3012 CC1CC(C(=O)O1)NC2CCC2 cc495b2f31f8a915e6bcb002a39c7c8c [0,1,0,1,0,0|0,0,2]=4 616 B13R2.3012 CC1CC(C(=O)O1)OC2CCC2 69af6a84001095ceed45afbee2fec785 [0,1,0,1,0,0|0,0,2]=4 617 B13R2.10163 CC1CC(C(=O)O1)NC2CC2C 71e2edb107e94823bf4d3321bb99577e [0,1,0,1,0,0|0,0,2]=4 618 B9R0.47 C=C(C)C(=O)NCCCC 9633bcca99f1bcc8d8b16f91ececec4f [0,0,1,0,1,0|1,0,1]=4 619 B9R0.47 CCCCNC(=O)C(C)F fdb65ff91133c27b3ebb75d20a9f2f4e [0,0,1,0,1,0|2,0,0]=4 620 B9R0.47 CCCCNC(=O)C(C)O 869307c83e8c07004b30ff19276a13f2 [0,0,1,0,1,0|2,0,0]=4 621 B9R0.47 CCCCNC(=O)C(C)S 407fba19f003dbd0035cfcbae9d2b461 [0,0,1,0,1,0|2,0,0]=4 622 B9R0.47 CCCCNC(=O)[C@@H](C)F 802b8883268c6ffd6ce1498e2886bd12 [0,0,1,0,1,0|2,0,0]=4 623 B9R0.47 CCCCNC(=O)[C@@H](C)O 7ecb649f950e3b6c5f53bd62fbec3619 [0,0,1,0,1,0|2,0,0]=4 624 B9R0.47 CCCCNC(=O)[C@H](C)F be2c51c0de91c244b1db314ffeb2bb50 [0,0,1,0,1,0|2,0,0]=4 625 B9R0.47 CCCCNC(=O)[C@H](C)O fd6bb0fb1788b038b750625ab18ad066 [0,0,1,0,1,0|2,0,0]=4 626 B11R0.46 CCCCCC(=O)COC(C)C f4a75465bb71332bbe66328ae27f1030 [0,0,1,0,0,1|0,0,2]=4 627 B11R0.46 CCCCNC(=O)COC(C)C 469ee882abc2840cf6e8035e691229c0 [0,0,1,0,0,1|1,0,1]=4 628 B11R0.46 CCCCOC(=O)COC(C)C f1afab10d32abaff9d136b1ef9fbbfb8 [0,0,1,0,0,1|1,0,1]=4