0 B15R1.1030 C=C(C)c1ccc(cc1)SCCCCC 62a_100000185454_100000210326 [1,0,0,0,0,0|2,0,0]=3 1 B15R1.1030 C=C(C)c1ccc(cc1)SCCCCC 62a_100000210326_100000185454 [1,0,0,0,0,0|2,0,0]=3 2 B15R1.1033 C/C=C/c1ccc(cc1)SCCCCC 62a_100000210326_100016259036 [1,0,0,0,0,0|1,0,1]=3 3 B15R1.1033 C/C=C/c1ccc(cc1)SCCCCC 62a_100016259036_100000210326 [1,0,0,0,0,0|1,0,1]=3 4 B15R1.1033 CCCCC=Cc1ccc(cc1)/C=C/Br 271570a_100016275911_200016255901 [1,0,0,0,0,0|1,0,2]=4 5 B15R1.1033 CCCCCSc1ccc(cc1)/C=C/Br 62a_100000210326_200016255901 [1,0,0,0,0,0|2,0,0]=3 6 B15R1.1033 CCCCCSc1ccc(cc1)/C=C/Br 62a_200016255901_100000210326 [1,0,0,0,0,0|2,0,0]=3 7 B17R1.1264 CCCCCCc1ccc(cc1)C(=C(C)C)C 271570a_200000049429_100009814338 [0,1,0,0,0,0|1,0,1]=3 8 B17R1.1264 CCCCCOc1ccc(cc1)C(=C(C)C)C 271570a_200000049429_200011214818 [0,1,0,0,0,0|2,0,1]=4 9 B17R2.166180 CCCCCSc1ccc2c(coc2c1)C 62a_100000210326_100010775837 [0,0,0,1,0,0|3,0,0]=4 10 B17R1.714 C=CC(C)Sc1ccc(cc1)CCCCCC 62a_100011215867_100009814338 [0,0,0,0,0,1|1,0,1]=3 11 B16R1.665 CCCCCc1ccc(cc1)C(=C(C)C)C 271570a_200000049429_100009813665 [1,1,0,0,0,0|1,0,1]=4 12 B16R1.925 C=C(C)c1ccc(cc1)SCC(C)CCC 62a_100000185454_100011216630 [1,1,0,0,0,0|2,0,0]=4 13 B16R1.925 C=C(C)c1ccc(cc1)SCC(C)CCC 62a_100011216630_100000185454 [1,1,0,0,0,0|2,0,0]=4 14 B16R1.1274 C=C(C)c1ccc(cc1)SCCCC(C)C 62a_100000185454_100011214892 [1,1,0,0,0,0|2,0,0]=4 15 B16R1.1274 C=C(C)c1ccc(cc1)SCCCC(C)C 62a_100011214892_100000185454 [1,1,0,0,0,0|2,0,0]=4 16 B16R1.1402 C=C(C)c1ccc(cc1)C=CCCCCC 271570a_100000062253_100000185454 [1,1,0,0,0,0|1,0,1]=4 17 B16R1.1402 C=C(C)c1ccc(cc1)CCCCCCC 271570a_100000694244_100009813667 [1,1,0,0,0,0|1,0,0]=3 18 B16R1.1402 C=C(C)c1ccc(cc1)SCCCCCC 62a_100000185454_100000210757 [1,1,0,0,0,0|1,0,0]=3 19 B16R1.1402 C=C(C)c1ccc(cc1)SCCCCCC 62a_100000210314_100000185454 [1,1,0,0,0,0|1,0,0]=3 20 B16R1.7635 C=C(C)c1ccc(cc1)SC(C)CCCC 62a_100000185454_200011215066 [1,1,0,0,0,0|2,0,0]=4 21 B16R1.7635 C=C(C)c1ccc(cc1)SC(C)CCCC 62a_200011215066_100000185454 [1,1,0,0,0,0|2,0,0]=4 22 B16R1.14 C/C=C/c1ccc(cc1)SCCCC(C)C 62a_100011214892_100016259036 [1,1,0,0,0,0|1,0,1]=4 23 B16R1.14 C/C=C/c1ccc(cc1)SCCCC(C)C 62a_100016259036_100011214892 [1,1,0,0,0,0|1,0,1]=4 24 B16R1.14 CC(C)CCCSc1ccc(cc1)/C=C/Br 62a_100011214892_200016255901 [1,1,0,0,0,0|2,0,0]=4 25 B16R1.14 CC(C)CCCSc1ccc(cc1)/C=C/Br 62a_200016255901_100011214892 [1,1,0,0,0,0|2,0,0]=4 26 B16R1.1226 CCCCCCc1ccc(cc1)C=C(C)C 271570a_100102525489_100009814338 [1,1,0,0,0,0|0,0,1]=3 27 B16R1.1226 CCCCCSc1ccc(cc1)C=C(F)F 62a_100000210326_200009816947 [1,1,0,0,0,0|2,0,0]=4 28 B16R1.1226 CCCCCSc1ccc(cc1)C=C(F)F 62a_200009816947_100000210326 [1,1,0,0,0,0|2,0,0]=4 29 B16R1.1228 C=CCSc1ccc(cc1)CCCCCC 62a_100000210623_100009814338 [1,1,0,0,0,0|0,0,1]=3 30 B16R1.1228 C=CCSc1ccc(cc1)CCCCCC 62a_100009814338_100000210623 [1,1,0,0,0,0|0,0,1]=3 31 B16R1.1405 C/C=C/c1ccc(cc1)C=CCCCCC 271570a_100000062253_100016259036 [1,1,0,0,0,0|0,0,2]=4 32 B16R1.1405 C/C=C/c1ccc(cc1)SCCCCCC 62a_100000210314_100016259036 [1,1,0,0,0,0|0,0,1]=3 33 B16R1.1405 C/C=C/c1ccc(cc1)SCCCCCC 62a_100016259036_100000210757 [1,1,0,0,0,0|0,0,1]=3 34 B16R1.1405 C=C=Cc1ccc(cc1)CCCCCCC 271570a_100015277604_100009813667 [1,1,0,0,0,0|0,0,1]=3 35 B16R1.1405 CC=Cc1ccc(cc1)CCCCCCC 271570a_100016259895_100009813667 [1,1,0,0,0,0|0,0,1]=3 36 B16R1.1405 CCCCCC=Cc1ccc(cc1)/C=C/Br 271570a_100000062253_200016255901 [1,1,0,0,0,0|1,0,1]=4 37 B16R1.1405 CCCCCCSc1ccc(cc1)/C=C/Br 62a_100000210314_200016255901 [1,1,0,0,0,0|1,0,0]=3 38 B16R1.1405 CCCCCCSc1ccc(cc1)/C=C/Br 62a_200016255901_100000210757 [1,1,0,0,0,0|1,0,0]=3 39 B16R1.1405 FCCCCCSc1ccc(cc1)/C=C/Br 62a_100000729378_200016255901 [1,1,0,0,0,0|2,0,0]=4 40 B16R1.1405 FCCCCCSc1ccc(cc1)/C=C/Br 62a_200016255901_100000729378 [1,1,0,0,0,0|2,0,0]=4 41 B16R1.7115 C/C=C/c1ccc(cc1)SCC(C)CCC 62a_100011216630_100016259036 [1,1,0,0,0,0|1,0,1]=4 42 B16R1.7115 C/C=C/c1ccc(cc1)SCC(C)CCC 62a_100016259036_100011216630 [1,1,0,0,0,0|1,0,1]=4 43 B16R1.7115 CCCC(C)CSc1ccc(cc1)/C=C/Br 62a_100011216630_200016255901 [1,1,0,0,0,0|2,0,0]=4 44 B16R1.7115 CCCC(C)CSc1ccc(cc1)/C=C/Br 62a_200016255901_100011216630 [1,1,0,0,0,0|2,0,0]=4 45 B16R1.7638 C/C=C/c1ccc(cc1)SC(C)CCCC 62a_100016259036_200011215066 [1,1,0,0,0,0|1,0,1]=4 46 B16R1.7638 C/C=C/c1ccc(cc1)SC(C)CCCC 62a_200011215066_100016259036 [1,1,0,0,0,0|1,0,1]=4 47 B16R1.7638 CCCCC(C)Sc1ccc(cc1)/C=C/Br 62a_200011215066_200016255901 [1,1,0,0,0,0|2,0,0]=4 48 B16R1.7638 CCCCC(C)Sc1ccc(cc1)/C=C/Br 62a_200016255901_200011215066 [1,1,0,0,0,0|2,0,0]=4 49 B18R1.1106 C=CC(C)Sc1ccc(cc1)CCCCCCC 62a_100011215867_100009813667 [0,1,0,0,0,1|1,0,1]=4 50 B18R1.1106 C=CC(C)Sc1ccc(cc1)OCCCCCC 62a_100011215867_100011216197 [0,1,0,0,0,1|1,0,1]=4 51 B18R1.21915 C=CC(F)(F)Sc1ccc(cc1)CCCCCC 62a_100009814244_100009814338 [0,1,0,0,0,1|1,0,1]=4 52 B18R1.21915 C=CC(F)(F)Sc1ccc(cc1)CCCCCC 62a_100009814338_100009814244 [0,1,0,0,0,1|1,0,1]=4 53 B18R1.4125 CCCCCCSc1ccc(c(c1)C)C(=O)CC 62a_100000210314_200012361375 [0,2,0,0,0,0|0,0,2]=4 54 B18R1.4125 CCCCCCSc1ccc(c(c1)C)C(=O)CC 62a_200012361375_100000210757 [0,2,0,0,0,0|0,0,2]=4 55 B18R1.4125 CCCCCCSc1ccc(c(c1)F)C(=O)CC 62a_100000210314_100012360378 [0,2,0,0,0,0|0,0,2]=4 56 B18R1.4125 CCCCCCSc1ccc(c(c1)F)C(=O)CC 62a_100012360378_100000210757 [0,2,0,0,0,0|0,0,2]=4 57 B18R1.673 CCCCCCc1ccc(cc1)C(=O)CC(C)C 1458a_100000032748_100000210624 [0,2,0,0,0,0|0,0,2]=4 58 B18R1.1107 CCCCCCCc1ccc(cc1)C(=O)CCC 1458a_100000012247_100000210303 [0,2,0,0,0,0|0,0,2]=4 59 B18R1.1107 CCCCCCSc1ccc(cc1)/C(=C\C=O)/Cl 62a_100000210314_200020603514 [0,2,0,0,0,0|1,0,0]=3 60 B18R1.1107 CCCCCCSc1ccc(cc1)/C(=C\C=O)/Cl 62a_200020603514_100000210757 [0,2,0,0,0,0|1,0,0]=3 61 B18R1.1107 CCCCCCSc1ccc(cc1)C(=O)CCC 62a_100000210314_100011267722 [0,2,0,0,0,0|0,0,2]=4 62 B18R1.1107 CCCCCCSc1ccc(cc1)C(=O)CCC 62a_100011267722_100000210757 [0,2,0,0,0,0|0,0,2]=4 63 B18R1.4959 CCCCC(C)Sc1ccc(cc1)/C(=C\C=O)/Cl 62a_200011215066_200020603514 [0,2,0,0,0,0|2,0,0]=4 64 B18R1.4959 CCCCC(C)Sc1ccc(cc1)/C(=C\C=O)/Cl 62a_200020603514_200011215066 [0,2,0,0,0,0|2,0,0]=4 65 B18R1.35695 C=CCCC(=O)c1ccc(cc1)C=CCCCC 271570a_100016275911_200012050250 [0,2,0,0,0,0|0,0,2]=4 66 B18R1.35695 C=CCCC(=O)c1ccc(cc1)SCCCCC 62a_100000210326_200012050250 [0,2,0,0,0,0|1,0,0]=3 67 B18R1.35695 C=CCCC(=O)c1ccc(cc1)SCCCCC 62a_200012050250_100000210326 [0,2,0,0,0,0|1,0,0]=3 68 B18R1.35695 CCCCCCc1ccc(cc1)C(=O)CCCC 1458a_100000032748_100000210211 [0,2,0,0,0,0|0,0,2]=4 69 B18R1.1283 CCCCCCCc1ccc(cc1)C(=O)C(C)C 1458a_100000012247_100000210206 [0,2,0,0,0,0|0,0,2]=4 70 B18R1.1283 CCCCCCOc1ccc(cc1)C(=C(C)C)C 271570a_200000049429_100011216197 [0,2,0,0,0,0|1,0,1]=4 71 B18R1.1283 CCCCCCSc1ccc(cc1)C(=O)C(C)C 62a_100000210314_100011220430 [0,2,0,0,0,0|0,0,2]=4 72 B18R1.1283 CCCCCCSc1ccc(cc1)C(=O)C(C)C 62a_100011220430_100000210757 [0,2,0,0,0,0|0,0,2]=4 73 B18R1.322 CCCCCCC=Cc1ccc(cc1)C(=O)CC 271570a_200015348155_100000211647 [0,2,0,0,0,0|0,0,2]=4 74 B18R1.322 CCCCCCCCc1ccc(cc1)C(=O)CC 1458a_100000093814_100000210202 [0,2,0,0,0,0|0,0,2]=4 75 B18R1.322 CCCCCCCSc1ccc(cc1)C(=O)CC 62a_100000210614_100000211647 [0,2,0,0,0,0|0,0,2]=4 76 B18R1.322 CCCCCCCSc1ccc(cc1)C(=O)CC 62a_100000211647_100000210316 [0,2,0,0,0,0|0,0,2]=4 77 B18R1.1061 CCC(=O)c1ccc(cc1)SCCCCC(C)C 62a_100000211647_100011216152 [0,2,0,0,0,0|0,0,2]=4 78 B18R1.1061 CCC(=O)c1ccc(cc1)SCCCCC(C)C 62a_100011216152_100000211647 [0,2,0,0,0,0|0,0,2]=4 79 B18R1.10134 CCCCCC(C)Sc1ccc(cc1)C(=O)CC 62a_100000211647_200011218191 [0,2,0,0,0,0|0,0,2]=4 80 B18R1.10134 CCCCCC(C)Sc1ccc(cc1)C(=O)CC 62a_200011218191_100000211647 [0,2,0,0,0,0|0,0,2]=4 81 B18R1.40710 CCCCCCSc1ccc(cc1C)C(=O)CC 62a_100000210314_200012349626 [0,2,0,0,0,0|0,0,2]=4 82 B18R1.40710 CCCCCCSc1ccc(cc1C)C(=O)CC 62a_200012349626_100000210757 [0,2,0,0,0,0|0,0,2]=4 83 B16R1.1218 CCCCCCCC=Cc1ccccc1Br 271570a_100134823654_100000695589 [0,0,1,1,0,0|1,0,1]=4 84 B16R1.1218 CCCCCCCC=Cc1ccccc1C 271570a_100134823654_100000210755 [0,0,1,1,0,0|1,0,1]=4 85 B16R1.1218 CCCCCCCC=Cc1ccccc1Cl 271570a_100134823654_100000764095 [0,0,1,1,0,0|1,0,1]=4 86 B16R1.1218 CCCCCCCC=Cc1ccccc1F 271570a_100134823654_100011215700 [0,0,1,1,0,0|1,0,1]=4 87 B16R1.17800 C=Cc1cc(ccc1F)SCCCCCC 62a_100000210314_100000688377 [0,0,1,1,0,0|2,0,0]=4 88 B16R1.17800 C=Cc1cc(ccc1F)SCCCCCC 62a_100000688377_100000210757 [0,0,1,1,0,0|2,0,0]=4 89 B16R2.2895 Br/C=C/c1ccc(cc1)SC2CCCC2 62a_100011217020_200016255901 [1,0,0,1,0,0|2,0,0]=4 90 B16R2.2895 Br/C=C/c1ccc(cc1)SC2CCCC2 62a_200016255901_100000179811 [1,0,0,1,0,0|2,0,0]=4 91 B16R2.3136 CCCCCSc1ccc2ccsc2c1 62a_100000210326_100009888917 [1,0,0,1,0,0|2,0,0]=4 92 B16R2.3136 CCCCCSc1ccc2cscc2c1 62a_100000210326_200010760811 [1,0,0,1,0,0|2,0,0]=4 93 B16R2.3136 CCCCCSc1ccc2sccc2c1 62a_100000210326_100009814439 [1,0,0,1,0,0|2,0,0]=4 94 B18R2.2609 C=CC(C)Sc1ccc(cc1)C2CCCCC2 62a_100011215867_100011217854 [0,0,0,1,0,1|1,0,1]=4 95 B18R2.36301 CCCCCNc1ccc2cc(ccc2c1)Br 34a_100000185457_100000718602 [0,0,0,1,0,1|2,0,0]=4 96 B18R2.36301 CCCCCNc1ccc2cc(ccc2c1)Br 7a_100000185457_100000210326 [0,0,0,1,0,1|2,0,0]=4 97 B18R2.36301 CCCCCOc1ccc2cc(ccc2c1)Br 34a_100000185455_100000718602 [0,0,0,1,0,1|2,0,0]=4 98 B18R2.36301 CCCCCOc1ccc2cc(ccc2c1)Br 7a_100000185455_100000210326 [0,0,0,1,0,1|2,0,0]=4 99 B18R2.36301 CCCCCOc1ccc2cc(ccc2c1)Cl 34a_100000074905_100000718602 [0,0,0,1,0,1|2,0,0]=4 100 B18R2.36301 CCCCCOc1ccc2cc(ccc2c1)Cl 7a_100000074905_100000210326 [0,0,0,1,0,1|2,0,0]=4 101 B18R2.36301 CCCCCSc1ccc2cc(ccc2c1)Br 62a_100000210326_100012344972 [0,0,0,1,0,1|2,0,0]=4 102 B18R2.36301 CCCCCSc1ccc2cc(ccc2c1)Br 62a_100012344972_100000210326 [0,0,0,1,0,1|2,0,0]=4 103 B18R2.36301 CCCCCSc1ccc2cc(ccc2c1)F 62a_100000210326_100009817052 [0,0,0,1,0,1|2,0,0]=4 104 B18R2.36301 CCCCCSc1ccc2cc(ccc2c1)F 62a_100009817052_100000210326 [0,0,0,1,0,1|2,0,0]=4 105 B18R2.36301 CCCCCSc1ccc2nc(ccc2c1)Cl 62a_100000210326_200012034268 [0,0,0,1,0,1|2,0,0]=4 106 B18R2.36301 CCCCSCc1ccc2cc(ccc2c1)Br 62a_100000210211_100012356510 [0,0,0,1,0,1|2,0,0]=4 107 B18R2.36301 CCCCSCc1ccc2cc(ccc2c1)Br 62a_100012356510_100000210210 [0,0,0,1,0,1|2,0,0]=4 108 B18R2.583487 CCCCCSc1ccc2c(ccnc2c1)Cl 62a_100000210326_100009996786 [0,1,0,1,0,0|2,0,0]=4 109 B18R2.583487 CCCCCSc1ccc2c(ccnc2c1)Cl 62a_100009996786_100000210326 [0,1,0,1,0,0|2,0,0]=4 110 B18R2.182 CCCCCCc1ccc(cc1)C2=CCCC2 271570a_100000089523_100009814338 [0,1,0,1,0,0|1,0,1]=4 111 B18R2.182 CCCCCCc1ccc(cc1)c2ccco2 271570a_100000033946_100009814098 [0,1,0,1,0,0|0,0,1]=3 112 B18R2.182 CCCCCCc1ccc(cc1)c2ccco2 271570a_100000750936_100009814338 [0,1,0,1,0,0|0,0,1]=3 113 B18R2.182 CCCCCCc1ccc(cc1)c2cccs2 271570a_100000033946_100011215356 [0,1,0,1,0,0|0,1,0]=3 114 B18R2.182 CCCCCCc1ccc(cc1)c2cccs2 271570a_100000742291_100009814338 [0,1,0,1,0,0|0,1,0]=3 115 B18R2.182 CCCCCCc1ccc(cc1)c2ccoc2 271570a_100000033946_100011215275 [0,1,0,1,0,0|0,0,1]=3 116 B18R2.182 CCCCCCc1ccc(cc1)c2ccoc2 271570a_100011218838_100009814338 [0,1,0,1,0,0|0,0,1]=3 117 B18R2.182 CCCCCCc1ccc(cc1)c2ccsc2 271570a_100000033946_100000738268 [0,1,0,1,0,0|0,1,0]=3 118 B18R2.182 CCCCCCc1ccc(cc1)c2ccsc2 271570a_100011934443_100009814338 [0,1,0,1,0,0|0,1,0]=3 119 B18R2.182 CCCCCNc1ccc(cc1)c2cccs2 34a_200020605263_100000718602 [0,1,0,1,0,0|1,1,0]=4 120 B18R2.182 CCCCCNc1ccc(cc1)c2ccsc2 2230a_100000734147_100000210326 [0,1,0,1,0,0|1,1,0]=4 121 B18R2.182 CCCCCNc1ccc(cc1)c2ccsc2 34a_100000734147_100000718602 [0,1,0,1,0,0|1,1,0]=4 122 B18R2.182 CCCCCSc1ccc(cc1)c2cccs2 62a_100009816718_100000210326 [0,1,0,1,0,0|1,1,0]=4 123 B18R2.182 CCCCCSc1ccc(cc1)c2ccns2 62a_100000210326_200010185659 [0,1,0,1,0,0|1,1,0]=4 124 B18R2.182 CCCCCSc1ccc(cc1)c2ccns2 62a_200010185659_100000210326 [0,1,0,1,0,0|1,1,0]=4 125 B18R2.182 CCCCCSc1ccc(cc1)c2nccs2 62a_100000210326_100000756710 [0,1,0,1,0,0|1,1,0]=4 126 B18R2.182 CCCCCSc1ccc(cc1)c2nccs2 62a_100000756710_100000210326 [0,1,0,1,0,0|1,1,0]=4 127 B18R2.182 CCCCSCc1ccc(cc1)c2cccs2 271570a_200012348848_100011215356 [0,1,0,1,0,0|1,1,0]=4 128 B18R2.182 CCCCSCc1ccc(cc1)c2ccsc2 271570a_200012348848_100000738268 [0,1,0,1,0,0|1,1,0]=4 129 B18R2.2534 CC(=C(C)c1ccc(cc1)C2CCCCC2)C 271570a_200000049429_100011217854 [0,1,0,1,0,0|1,0,1]=4 130 B18R2.872541 CCCCCCSc1ccc2c(c[nH]c2c1)C 62a_100000210314_100010209589 [0,1,0,1,0,0|2,0,0]=4 131 B18R2.872541 CCCCCCSc1ccc2c(coc2c1)C 62a_100000210314_100010775837 [0,1,0,1,0,0|2,0,0]=4 132 B18R2.9541 CCC(=O)c1ccc(c(c1)Br)C2CCCCC2 1458a_200010235951_100000210202 [0,1,0,1,0,0|0,0,2]=4 133 B16R1.25 C=CC(C)Sc1ccc(cc1)CCCCC 62a_100011215867_100009813665 [1,0,0,0,0,1|1,0,1]=4