0 B17R3.35227 Oc1c2c(nc3c1cccc3)CCCC2 271570a_203496583355_100000187660 [1,0,0,0,0,0|1,0,1]=3 1 B17R2.12072 CCCCSc1cc(=O)c2ccccc2[nH]1 62a_100000210211_100000090176 [0,0,1,0,0,0|3,0,0]=4 2 B17R2.12072 Cc1cc(nc2c1cccc2)NCCCO 27a_100000182051_100000184993 [0,0,1,0,0,0|2,0,1]=4 3 B17R2.12072 Cc1cc(nc2c1cccc2)SCCCO 62a_100011215043_100000184993 [0,0,1,0,0,0|2,0,1]=4 4 B17R2.12072 Cc1cc(nc2c1cccc2)SCCCO 62a_100012354972_100011215043 [0,0,1,0,0,0|2,0,1]=4 5 B17R2.12072 Nc1cc(cc2c1cccc2)SCCCO 62a_100010171453_100011215043 [0,0,1,0,0,0|2,0,1]=4 6 B17R2.12072 Nc1cc(cc2c1cccc2)SCCCO 62a_100011215043_100010171453 [0,0,1,0,0,0|2,0,1]=4 7 B17R2.12072 Nc1cc(nc2c1cccc2)SCCCO 62a_100010197925_100011215043 [0,0,1,0,0,0|1,0,2]=4 8 B17R2.12072 O=c1cc([nH]c2c1cccc2)SCCCF 62a_100011934791_100000090176 [0,0,1,0,0,0|3,0,0]=4 9 B17R2.12072 O=c1cc([nH]c2c1cccc2)SCCCO 62a_100011215043_100000090176 [0,0,1,0,0,0|2,0,0]=3 10 B17R2.12072 OCCCNc1cc(c2ccccc2c1)Br 34a_100010089974_100000230001 [0,0,1,0,0,0|3,0,0]=4 11 B17R2.12072 OCCCNc1cc(c2ccccc2c1)Br 7a_100010089974_100011215043 [0,0,1,0,0,0|3,0,0]=4 12 B17R2.12072 OCCCOc1cc(c2ccccc2c1)Br 34a_100010001680_100000230001 [0,0,1,0,0,0|3,0,0]=4 13 B17R2.12072 OCCCOc1cc(c2ccccc2c1)Br 7a_100010001680_100011215043 [0,0,1,0,0,0|3,0,0]=4 14 B17R2.12072 OCCCSc1cc(c2ccccc2c1)O 62a_100011215043_100010089979 [0,0,1,0,0,0|3,0,0]=4 15 B16R2.767 CNCC(O)c1ccc2ccccc2c1 2230a_100000754022_200000210301 [1,0,1,0,0,0|2,0,0]=4 16 B16R2.767 CNCC(O)c1ccc2ccccc2c1 34a_100000754022_200000210301 [1,0,1,0,0,0|2,0,0]=4 17 B16R2.767 [13CH3]NCC(O)c1ccc2ccccc2c1 2230a_100000754022_200025704644 [1,0,1,0,0,0|2,0,0]=4 18 B16R2.767 [13CH3]NCC(O)c1ccc2ccccc2c1 34a_100000754022_200025704644 [1,0,1,0,0,0|2,0,0]=4 19 B16R2.2942 CCCCc1c[nH]c2ccccc2c1=O 271570a_100020621405_100012339567 [1,0,1,0,0,0|1,0,0]=3 20 B16R2.2942 CCCCc1ccc2ccccc2c1Br 271570a_100020621405_200010089984 [1,0,1,0,0,0|2,0,0]=4 21 B16R2.2942 CCCCc1ccc2ccccc2c1C 271570a_100020621405_100010221197 [1,0,1,0,0,0|2,0,0]=4 22 B16R2.2942 CCCCc1ccc2ccccc2c1F 271570a_100020621405_100009832041 [1,0,1,0,0,0|2,0,0]=4 23 B16R2.2942 CCCCc1ccc2ccccc2c1N 271570a_100020621405_100009817101 [1,0,1,0,0,0|1,0,1]=4 24 B16R2.2942 CCCCc1ccc2ccccc2c1O 271570a_100020621405_100009996032 [1,0,1,0,0,0|2,0,0]=4 25 B16R2.2942 CCCCc1cnc2ccccc2c1Cl 271570a_100020621405_100012352519 [1,0,1,0,0,0|1,0,1]=4 26 B16R2.2942 CCCCc1cnc2ccccc2c1N 271570a_100020621405_100009995562 [1,0,1,0,0,0|0,0,2]=4 27 B16R2.2942 CCCCc1coc2ccccc2c1=O 271570a_100020621405_100009813851 [1,0,1,0,0,0|2,0,0]=4 28 B16R2.2942 CCCSc1c[nH]c2ccccc2c1=O 62a_100000210303_100012348052 [1,0,1,0,0,0|2,0,0]=4 29 B16R2.1054 CCCCc1cc(=O)c2ccccc2[nH]1 271570a_100020621405_100000090176 [1,0,1,0,0,0|1,0,0]=3 30 B16R2.1054 CCCCc1cc(c2ccccc2c1)N 271570a_100020621405_100010171453 [1,0,1,0,0,0|1,0,1]=4 31 B16R2.1054 CCCCc1cc(c2ccccc2c1)O 271570a_100020621405_100010089979 [1,0,1,0,0,0|2,0,0]=4 32 B16R2.1054 CCCCc1cc(c2ccccc2n1)C 271570a_100020621405_100012354972 [1,0,1,0,0,0|1,0,1]=4 33 B16R2.1054 CCCCc1cc(c2ccccc2n1)N 271570a_100020621405_100010197925 [1,0,1,0,0,0|0,0,2]=4 34 B16R2.1054 CCCSc1cc(=O)c2ccccc2[nH]1 62a_100000210303_100000090176 [1,0,1,0,0,0|2,0,0]=4 35 B16R2.1054 O=c1cc([nH]c2c1cccc2)SCCO 62a_100000211926_100000090176 [1,0,1,0,0,0|2,0,0]=4 36 B16R2.2441 OCCCNc1ccc2ccccc2c1 34a_100000211940_100000230001 [1,0,1,0,0,0|2,0,0]=4 37 B16R2.2441 OCCCNc1ccc2ccccc2c1 7a_100000211940_100011215043 [1,0,1,0,0,0|2,0,0]=4 38 B16R2.2441 OCCCNc1ccc2ccccc2n1 27a_100000182051_100011291633 [1,0,1,0,0,0|1,0,1]=4 39 B16R2.2441 OCCCOc1ccc2ccccc2c1 34a_100000185828_100000230001 [1,0,1,0,0,0|2,0,0]=4 40 B16R2.2441 OCCCOc1ccc2ccccc2c1 7a_100000185828_100011215043 [1,0,1,0,0,0|2,0,0]=4 41 B16R2.2441 OCCCSc1ccc2ccccc2c1 62a_100011215043_100000233703 [1,0,1,0,0,0|2,0,0]=4 42 B16R2.2441 OCCCSc1ccc2ccccc2n1 62a_100011215043_100011291633 [1,0,1,0,0,0|1,0,1]=4 43 B16R2.2441 OCCCSc1ccc2ccccc2n1 62a_100011291633_100011215043 [1,0,1,0,0,0|1,0,1]=4 44 B16R2.2441 OCCNCc1ccc2ccccc2c1 207a_100000210304_100000211584 [1,0,1,0,0,0|2,0,0]=4 45 B16R2.2441 OCCNCc1ccc2ccccc2c1 2230a_100000739491_100000211926 [1,0,1,0,0,0|2,0,0]=4 46 B16R2.2441 OCCNCc1ccc2ccccc2c1 2230a_100016997473_100011216711 [1,0,1,0,0,0|2,0,0]=4 47 B16R2.2441 OCCNCc1ccc2ccccc2c1 270004a_100000210304_100000211584 [1,0,1,0,0,0|2,0,0]=4 48 B16R2.2441 OCCNCc1ccc2ccccc2c1 34a_100000739491_100000211926 [1,0,1,0,0,0|2,0,0]=4 49 B16R2.2441 OCCNCc1ccc2ccccc2c1 34a_100016990907_100011216711 [1,0,1,0,0,0|2,0,0]=4 50 B16R2.2441 OCCNCc1ccc2ccccc2n1 207a_100000210304_100000759686 [1,0,1,0,0,0|1,0,1]=4 51 B16R2.2441 OCCNCc1ccc2ccccc2n1 2230a_100016997473_100000737579 [1,0,1,0,0,0|1,0,1]=4 52 B16R2.2441 OCCNCc1ccc2ccccc2n1 270004a_100000210304_100000759686 [1,0,1,0,0,0|1,0,1]=4 53 B16R2.2441 OCCNCc1ccc2ccccc2n1 34a_100016990907_100000737579 [1,0,1,0,0,0|1,0,1]=4 54 B16R2.2441 OCCOCc1ccc2ccccc2c1 34a_100011215330_100000211926 [1,0,1,0,0,0|2,0,0]=4 55 B16R2.2441 OCCOCc1ccc2ccccc2c1 7a_100011215330_100000211926 [1,0,1,0,0,0|2,0,0]=4 56 B16R2.2441 OCCSCc1ccc2ccccc2c1 62a_100000211926_100011216711 [1,0,1,0,0,0|2,0,0]=4 57 B16R2.2441 OCCSCc1ccc2ccccc2c1 62a_100011216711_100000211926 [1,0,1,0,0,0|2,0,0]=4 58 B16R2.2441 OCCSCc1ccc2ccccc2n1 62a_100000211926_100000737579 [1,0,1,0,0,0|1,0,1]=4 59 B16R2.2441 OCCSCc1ccc2ccccc2n1 62a_100000737579_100000211926 [1,0,1,0,0,0|1,0,1]=4 60 B16R2.64 CCNc1nc2ccccc2cc1CO 27a_100015525214_100000754719 [1,0,1,0,0,0|1,0,1]=4 61 B16R2.64 CCSc1nc2ccccc2cc1CO 62a_100000210202_100000754719 [1,0,1,0,0,0|1,0,1]=4 62 B18R2.4832 CC(C)C[C@H](N)c1c[nH]c2ccccc2c1=O 271570a_100015190218_100012339567 [0,1,1,0,0,0|2,0,0]=4 63 B18R2.10151 C[C@@H](CO)CSc1cc(=O)c2ccccc2[nH]1 62a_100000059175_100000090176 [0,1,1,0,0,0|2,0,0]=4 64 B18R2.10151 O=c1cc([nH]c2c1cccc2)SCC(O)CO 62a_100011219619_100000090176 [0,1,1,0,0,0|2,0,0]=4 65 B18R2.10151 O=c1cc([nH]c2c1cccc2)SC[C@@H](O)CO 62a_100009815848_100000090176 [0,1,1,0,0,0|2,0,0]=4 66 B18R2.63530 CC(O)CCSc1cc(=O)c2ccccc2[nH]1 62a_100012276601_100000090176 [0,1,1,0,0,0|2,0,0]=4 67 B18R2.75286 CCCCCSc1cc(=O)c2ccccc2[nH]1 62a_100000210326_100000090176 [0,1,1,0,0,0|2,0,0]=4 68 B18R2.75286 COCCCSc1cc(=O)c2ccccc2[nH]1 62a_100000709357_100000090176 [0,1,1,0,0,0|2,0,0]=4 69 B18R2.75286 Cc1cc(nc2c1cccc2)NCCCCO 27a_100000750430_100000184993 [0,1,1,0,0,0|1,0,1]=4 70 B18R2.75286 Cc1cc(nc2c1cccc2)SCCCCO 62a_100000210776_100000184993 [0,1,1,0,0,0|1,0,1]=4 71 B18R2.75286 Cc1cc(nc2c1cccc2)SCCCCO 62a_100012354972_100000210776 [0,1,1,0,0,0|1,0,1]=4 72 B18R2.75286 Nc1cc(cc2c1cccc2)SCCCCO 62a_100000210776_100010171453 [0,1,1,0,0,0|1,0,1]=4 73 B18R2.75286 Nc1cc(cc2c1cccc2)SCCCCO 62a_100010171453_100000210776 [0,1,1,0,0,0|1,0,1]=4 74 B18R2.75286 Nc1cc(nc2c1cccc2)SCCCCO 62a_100010197925_100000210776 [0,1,1,0,0,0|0,0,2]=4 75 B18R2.75286 O=c1cc([nH]c2c1cccc2)SCCCCF 62a_100000729493_100000090176 [0,1,1,0,0,0|2,0,0]=4 76 B18R2.75286 O=c1cc([nH]c2c1cccc2)SCCCCO 62a_100000210776_100000090176 [0,1,1,0,0,0|1,0,0]=3 77 B18R2.75286 OCCCCNc1cc(c2ccccc2c1)Br 34a_100010089974_100011216708 [0,1,1,0,0,0|2,0,0]=4 78 B18R2.75286 OCCCCNc1cc(c2ccccc2c1)Br 7a_100010089974_100000210776 [0,1,1,0,0,0|2,0,0]=4 79 B18R2.75286 OCCCCOc1cc(c2ccccc2c1)Br 34a_100010001680_100011216708 [0,1,1,0,0,0|2,0,0]=4 80 B18R2.75286 OCCCCOc1cc(c2ccccc2c1)Br 7a_100010001680_100000210776 [0,1,1,0,0,0|2,0,0]=4 81 B18R2.75286 OCCCCSc1cc(c2ccccc2c1)O 62a_100000210776_100010089979 [0,1,1,0,0,0|2,0,0]=4 82 B18R2.124731 CC(CCO)Sc1cc(=O)c2ccccc2[nH]1 62a_100009893172_100000090176 [0,1,1,0,0,0|2,0,0]=4 83 B18R3.52086 Cc1ccc2nc3c(c(c2c1)O)CCCC3 271570a_203496583355_100011467581 [1,1,0,0,0,0|1,0,1]=4 84 B18R3.52086 Oc1c2c(nc3c1cc(cc3)F)CCCC2 271570a_203496583355_100011467583 [1,1,0,0,0,0|1,0,1]=4 85 B18R3.220425 C=Cc1c2c(nc3c1cccc3)CCCC2 271570a_100011290941_100000187660 [1,1,0,0,0,0|1,0,1]=4 86 B18R3.220425 CSc1c2c(nc3c1cccc3)CCCC2 62a_100000187660_200000210301 [1,1,0,0,0,0|1,0,1]=4 87 B18R3.220425 CSc1c2c(nc3c1cccc3)CCCC2 62a_200000210301_100000187660 [1,1,0,0,0,0|1,0,1]=4 88 B18R3.220425 [13CH3]Sc1c2c(nc3c1cccc3)CCCC2 62a_100000187660_200025704644 [1,1,0,0,0,0|1,0,1]=4 89 B18R3.220425 [13CH3]Sc1c2c(nc3c1cccc3)CCCC2 62a_200025704644_100000187660 [1,1,0,0,0,0|1,0,1]=4 90 B16R1.7391 C=Cc1ccccc1NC(=O)CCCCO 1626a_100012022501_100000695505 [0,0,2,0,0,0|2,0,0]=4 91 B16R1.35 CC(=CC(=O)CCCCO)c1ccccc1 1458a_100000743005_100000210776 [0,0,2,0,0,0|2,0,0]=4 92 B16R1.3900 C=C(C)c1ccccc1NCCCCCO 34a_100000037685_100000746330 [0,0,2,0,0,0|1,0,1]=4 93 B18R3.100899 O=c1cc([nH]c2c1cccc2)SCC3CO3 62a_102125554688_100000090176 [0,0,1,1,0,0|2,0,0]=4 94 B18R3.100899 O=c1cc([nH]c2c1cccc2)SC[C@@H]3CO3 62a_100000745022_100000090176 [0,0,1,1,0,0|2,0,0]=4 95 B16R2.2272 Cc1c([nH]c2c1cccc2)CNCCO 270004a_100000210304_100000066550 [0,0,1,0,1,0|2,0,0]=4 96 B16R2.2272 OCCNCc1[nH]c2ccccc2c1Cl 270004a_100000210304_100000050720 [0,0,1,0,1,0|2,0,0]=4 97 B16R3.2754 Oc1c2c(nc3c1cccc3)CCC2 271570a_203496583355_100011467374 [1,0,0,0,1,0|1,0,1]=4 98 B18R2.2054 CCCC(C)Sc1c[nH]c2ccccc2c1=O 62a_100000766640_100012348052 [0,0,1,0,0,1|2,0,0]=4