0 B17R3.35227 Oc1c2c(nc3c1cccc3)CCCC2 271570a_203496583355_100000187660 [0,0,0,0,0,0|1,0,0]=1 1 B18R3.52086 Cc1ccc2nc3c(c(c2c1)O)CCCC3 271570a_203496583355_100011467581 [0,1,0,0,0,0|1,0,0]=2 2 B18R3.52086 Oc1c2c(nc3c1cc(cc3)F)CCCC2 271570a_203496583355_100011467583 [0,1,0,0,0,0|1,0,0]=2 3 B18R3.220425 C=Cc1c2c(nc3c1cccc3)CCCC2 271570a_100011290941_100000187660 [0,1,0,0,0,0|1,0,0]=2 4 B18R3.220425 CSc1c2c(nc3c1cccc3)CCCC2 62a_100000187660_200000210301 [0,1,0,0,0,0|1,0,0]=2 5 B18R3.220425 CSc1c2c(nc3c1cccc3)CCCC2 62a_200000210301_100000187660 [0,1,0,0,0,0|1,0,0]=2 6 B18R3.220425 [13CH3]Sc1c2c(nc3c1cccc3)CCCC2 62a_100000187660_200025704644 [0,1,0,0,0,0|1,0,0]=2 7 B18R3.220425 [13CH3]Sc1c2c(nc3c1cccc3)CCCC2 62a_200025704644_100000187660 [0,1,0,0,0,0|1,0,0]=2 8 B16R2.1054 C=CCSc1cc(c2ccccc2n1)N 62a_100010197925_100000210623 [0,0,1,0,0,0|1,0,2]=4 9 B16R2.1054 CCCCc1cc(=O)c2ccccc2[nH]1 271570a_100020621405_100000090176 [0,0,1,0,0,0|1,0,1]=3 10 B16R2.1054 CCCCc1cc(=O)n2ccccc2n1 271570a_100020621405_100000707704 [0,0,1,0,0,0|2,0,0]=3 11 B16R2.1054 CCCCc1cc(c2ccccc2c1)N 271570a_100020621405_100010171453 [0,0,1,0,0,0|1,0,0]=2 12 B16R2.1054 CCCCc1cc(c2ccccc2c1)O 271570a_100020621405_100010089979 [0,0,1,0,0,0|2,0,0]=3 13 B16R2.1054 CCCCc1cc(c2ccccc2n1)C 271570a_100020621405_100012354972 [0,0,1,0,0,0|1,0,0]=2 14 B16R2.1054 CCCCc1cc(c2ccccc2n1)N 271570a_100020621405_100010197925 [0,0,1,0,0,0|0,0,0]=1 15 B16R2.1054 CCCCc1cc(c2cccnc2c1)N 271570a_100020621405_200010263263 [0,0,1,0,0,0|2,0,0]=3 16 B16R2.1054 CCCCc1cc(c2cnccc2c1)F 271570a_100020621405_100011068762 [0,0,1,0,0,0|3,0,0]=4 17 B16R2.1054 CCCCc1cc(c2ncccc2c1)C 271570a_100020621405_100010130319 [0,0,1,0,0,0|3,0,0]=4 18 B16R2.1054 CCCCc1cc(c2ncccc2c1)Cl 271570a_100020621405_200010369337 [0,0,1,0,0,0|3,0,0]=4 19 B16R2.1054 CCCCc1cc(c2ncccc2c1)F 271570a_100020621405_100010234705 [0,0,1,0,0,0|3,0,0]=4 20 B16R2.1054 CCCCc1cc(c2ncccc2c1)N 271570a_100020621405_100009814519 [0,0,1,0,0,0|2,0,0]=3 21 B16R2.1054 CCCCc1cc(c2ncccc2c1)O 271570a_100020621405_100010248853 [0,0,1,0,0,0|3,0,0]=4 22 B16R2.1054 CCCCc1cc2ccccc2[n+](c1)[O-] 271570a_100020621405_200010000521 [0,0,1,0,0,0|3,0,0]=4 23 B16R2.1054 CCCCc1cc2ccccc2c(n1)N 271570a_100020621405_100009957331 [0,0,1,0,0,0|2,0,0]=3 24 B16R2.1054 CCCCc1nc(c2ccccc2n1)C 271570a_100020621405_100000046098 [0,0,1,0,0,0|2,0,0]=3 25 B16R2.1054 CCCNc1cc(c2ccccc2c1)Br 34a_100010089974_100000210303 [0,0,1,0,0,0|3,0,0]=4 26 B16R2.1054 CCCNc1cc(c2ccccc2c1)Br 7a_100010089974_100000210303 [0,0,1,0,0,0|3,0,0]=4 27 B16R2.1054 CCCOc1cc(=O)n2ccccc2n1 34a_100000751361_100000210303 [0,0,1,0,0,0|3,0,0]=4 28 B16R2.1054 CCCOc1cc(c2ccccc2c1)Br 34a_100010001680_100000210303 [0,0,1,0,0,0|3,0,0]=4 29 B16R2.1054 CCCOc1cc(c2ccccc2c1)Br 7a_100010001680_100000210303 [0,0,1,0,0,0|3,0,0]=4 30 B16R2.1054 CCCOc1cc(c2ncccc2c1)N 34a_100000083691_100000210303 [0,0,1,0,0,0|3,0,0]=4 31 B16R2.1054 CCCSc1cc(=O)c2ccccc2[nH]1 62a_100000210303_100000090176 [0,0,1,0,0,0|2,0,1]=4 32 B16R2.1054 CCCSc1cc(=O)n2ccccc2n1 62a_100000210303_100000707704 [0,0,1,0,0,0|3,0,0]=4 33 B16R2.1054 CCCSc1cc(c2ccccc2c1)N 62a_100000210303_100010171453 [0,0,1,0,0,0|2,0,0]=3 34 B16R2.1054 CCCSc1cc(c2ccccc2c1)N 62a_100010171453_100000210303 [0,0,1,0,0,0|2,0,0]=3 35 B16R2.1054 CCCSc1cc(c2ccccc2c1)O 62a_100000210303_100010089979 [0,0,1,0,0,0|3,0,0]=4 36 B16R2.1054 CCCSc1cc(c2ccccc2n1)C 62a_100000210303_100000184993 [0,0,1,0,0,0|2,0,0]=3 37 B16R2.1054 CCCSc1cc(c2ccccc2n1)C 62a_100012354972_100000210303 [0,0,1,0,0,0|2,0,0]=3 38 B16R2.1054 CCCSc1cc(c2ccccc2n1)N 62a_100010197925_100000210303 [0,0,1,0,0,0|1,0,0]=2 39 B16R2.1054 CCCSc1cc(c2cccnc2c1)N 62a_100000210303_200010263263 [0,0,1,0,0,0|3,0,0]=4 40 B16R2.1054 CCCSc1cc(c2cccnc2c1)N 62a_200010263263_100000210303 [0,0,1,0,0,0|3,0,0]=4 41 B16R2.1054 CCCSc1cc(c2ncccc2c1)N 62a_100000210303_100009814519 [0,0,1,0,0,0|3,0,0]=4 42 B16R2.1054 CCCSc1cc2ccccc2c(n1)N 62a_100000210303_100009957331 [0,0,1,0,0,0|3,0,0]=4 43 B16R2.1054 CCCSc1cc2ccccc2c(n1)N 62a_100009957331_100000210303 [0,0,1,0,0,0|3,0,0]=4 44 B16R2.1054 CCCSc1nc(c2ccccc2n1)C 62a_100000046098_100000210303 [0,0,1,0,0,0|3,0,0]=4 45 B16R2.1054 CCCSc1nc(c2ccccc2n1)C 62a_100000210303_100000046098 [0,0,1,0,0,0|3,0,0]=4 46 B16R2.1054 CCCSc1nc(c2ccccc2n1)N 62a_100000690328_100000210303 [0,0,1,0,0,0|2,0,0]=3 47 B16R2.1054 CCCSc1nc(c2ccccc2n1)O 62a_100000210303_100000187174 [0,0,1,0,0,0|3,0,0]=4 48 B16R2.1054 CCNCc1cc(=O)n2ccccc2n1 2230a_100015525214_100000017730 [0,0,1,0,0,0|3,0,0]=4 49 B16R2.1054 CCNCc1nc(c2ccccc2n1)C 2230a_100015525214_100000736427 [0,0,1,0,0,0|3,0,0]=4 50 B16R2.1054 CCNCc1nc2ccccc2c(=O)[nH]1 2230a_100015525214_100000182789 [0,0,1,0,0,0|3,0,0]=4 51 B16R2.1054 CCOCc1cc(=O)n2ccccc2n1 34a_100121572206_100000017730 [0,0,1,0,0,0|3,0,0]=4 52 B16R2.1054 CCOCc1nc(c2ccccc2n1)C 34a_100121572206_100000736427 [0,0,1,0,0,0|3,0,0]=4 53 B16R2.1054 CCSCc1cc(=O)n2ccccc2n1 62a_100000017730_100000210202 [0,0,1,0,0,0|3,0,0]=4 54 B16R2.1054 CCSCc1cc(=O)n2ccccc2n1 62a_100000210202_100000017730 [0,0,1,0,0,0|3,0,0]=4 55 B16R2.1054 CCSCc1nc(c2ccccc2n1)C 62a_100000210202_100000736427 [0,0,1,0,0,0|3,0,0]=4 56 B16R2.1054 CCSCc1nc(c2ccccc2n1)C 62a_100000736427_100000210202 [0,0,1,0,0,0|3,0,0]=4 57 B16R2.1054 CCSCc1nc(c2ccccc2n1)Cl 62a_100000210202_100010180038 [0,0,1,0,0,0|3,0,0]=4 58 B16R2.1054 CCSCc1nc(c2ccccc2n1)Cl 62a_100010180038_100000210202 [0,0,1,0,0,0|3,0,0]=4 59 B16R2.1054 COCSc1cc(c2ccccc2c1)N 62a_100000766300_100010171453 [0,0,1,0,0,0|3,0,0]=4 60 B16R2.1054 COCSc1cc(c2ccccc2c1)N 62a_100010171453_100000766300 [0,0,1,0,0,0|3,0,0]=4 61 B16R2.1054 COCSc1cc(c2ccccc2n1)C 62a_100000766300_100000184993 [0,0,1,0,0,0|3,0,0]=4 62 B16R2.1054 COCSc1cc(c2ccccc2n1)C 62a_100012354972_100000766300 [0,0,1,0,0,0|3,0,0]=4 63 B16R2.1054 COCSc1cc(c2ccccc2n1)N 62a_100010197925_100000766300 [0,0,1,0,0,0|2,0,0]=3 64 B16R2.1054 COCSc1nc(c2ccccc2n1)N 62a_100000690328_100000766300 [0,0,1,0,0,0|3,0,0]=4 65 B16R2.1054 CSCSc1cc(c2ccccc2c1)N 62a_100010171453_100011218213 [0,0,1,0,0,0|3,0,0]=4 66 B16R2.1054 CSCSc1cc(c2ccccc2c1)N 62a_100011218213_100010171453 [0,0,1,0,0,0|3,0,0]=4 67 B16R2.1054 CSCSc1cc(c2ccccc2n1)C 62a_100011218213_100000184993 [0,0,1,0,0,0|3,0,0]=4 68 B16R2.1054 CSCSc1cc(c2ccccc2n1)C 62a_100012354972_100011218213 [0,0,1,0,0,0|3,0,0]=4 69 B16R2.1054 CSCSc1cc(c2ccccc2n1)N 62a_100010197925_100011218213 [0,0,1,0,0,0|2,0,0]=3 70 B16R2.1054 CSCSc1nc(c2ccccc2n1)N 62a_100000690328_100011218213 [0,0,1,0,0,0|3,0,0]=4 71 B16R2.1054 Cc1cc(nc2c1cccc2)NCCO 27a_100000210304_100000184993 [0,0,1,0,0,0|3,0,0]=4 72 B16R2.1054 Cc1cc(nc2c1cccc2)SCCF 62a_100011217306_100000184993 [0,0,1,0,0,0|3,0,0]=4 73 B16R2.1054 Cc1cc(nc2c1cccc2)SCCF 62a_100012354972_100011217306 [0,0,1,0,0,0|3,0,0]=4 74 B16R2.1054 Cc1cc(nc2c1cccc2)SCCO 62a_100000211926_100000184993 [0,0,1,0,0,0|3,0,0]=4 75 B16R2.1054 Cc1cc(nc2c1cccc2)SCCO 62a_100012354972_100000211926 [0,0,1,0,0,0|3,0,0]=4 76 B16R2.1054 N#CCSc1cc(c2ccccc2n1)N 62a_100010197925_100011215382 [0,0,1,0,0,0|2,0,1]=4 77 B16R2.1054 Nc1cc(cc2c1cccc2)SCCF 62a_100010171453_100011217306 [0,0,1,0,0,0|3,0,0]=4 78 B16R2.1054 Nc1cc(cc2c1cccc2)SCCF 62a_100011217306_100010171453 [0,0,1,0,0,0|3,0,0]=4 79 B16R2.1054 Nc1cc(cc2c1cccc2)SCCO 62a_100000211926_100010171453 [0,0,1,0,0,0|3,0,0]=4 80 B16R2.1054 Nc1cc(cc2c1cccc2)SCCO 62a_100010171453_100000211926 [0,0,1,0,0,0|3,0,0]=4 81 B16R2.1054 Nc1cc(nc2c1cccc2)SCC=O 62a_100010197925_200015260668 [0,0,1,0,0,0|2,0,1]=4 82 B16R2.1054 Nc1cc(nc2c1cccc2)SCCF 62a_100010197925_100011217306 [0,0,1,0,0,0|2,0,0]=3 83 B16R2.1054 Nc1cc(nc2c1cccc2)SCCO 62a_100010197925_100000211926 [0,0,1,0,0,0|2,0,0]=3 84 B16R2.1054 Nc1nc(nc2c1cccc2)NCCO 27a_100000210304_100000690328 [0,0,1,0,0,0|3,0,0]=4 85 B16R2.1054 Nc1nc(nc2c1cccc2)SCCF 62a_100000690328_100011217306 [0,0,1,0,0,0|3,0,0]=4 86 B16R2.1054 Nc1nc(nc2c1cccc2)SCCO 62a_100000690328_100000211926 [0,0,1,0,0,0|3,0,0]=4 87 B16R2.2942 C#CCSc1cnc2ccccc2c1N 62a_100000038162_100009995562 [0,0,1,0,0,0|1,0,2]=4 88 B16R2.2942 C=CCSc1cnc2ccccc2c1N 62a_100000210623_100009995562 [0,0,1,0,0,0|1,0,2]=4 89 B16R2.2942 C=CCSc1cnc2ccccc2c1N 62a_100009995562_100000210623 [0,0,1,0,0,0|1,0,2]=4 90 B16R2.2942 CCCCc1c[nH]c2ccccc2c1=O 271570a_100020621405_100012339567 [0,0,1,0,0,0|1,0,1]=3 91 B16R2.2942 CCCCc1ccc2ccccc2c1Br 271570a_100020621405_200010089984 [0,0,1,0,0,0|2,0,0]=3 92 B16R2.2942 CCCCc1ccc2ccccc2c1C 271570a_100020621405_100010221197 [0,0,1,0,0,0|2,0,0]=3 93 B16R2.2942 CCCCc1ccc2ccccc2c1F 271570a_100020621405_100009832041 [0,0,1,0,0,0|2,0,0]=3 94 B16R2.2942 CCCCc1ccc2ccccc2c1N 271570a_100020621405_100009817101 [0,0,1,0,0,0|1,0,0]=2 95 B16R2.2942 CCCCc1ccc2ccccc2c1O 271570a_100020621405_100009996032 [0,0,1,0,0,0|2,0,0]=3 96 B16R2.2942 CCCCc1ccc2cccnc2c1C 271570a_100020621405_100010214467 [0,0,1,0,0,0|3,0,0]=4 97 B16R2.2942 CCCCc1ccc2cccnc2c1F 271570a_100020621405_100010751467 [0,0,1,0,0,0|3,0,0]=4 98 B16R2.2942 CCCCc1ccc2cccnc2c1O 271570a_100020621405_100009816563 [0,0,1,0,0,0|3,0,0]=4 99 B16R2.2942 CCCCc1ccc2cnccc2c1N 271570a_100020621405_100010191621 [0,0,1,0,0,0|2,0,0]=3 100 B16R2.2942 CCCCc1ccc2ncccc2c1C 271570a_100020621405_200010137439 [0,0,1,0,0,0|3,0,0]=4 101 B16R2.2942 CCCCc1ccc2ncccc2c1N 271570a_100020621405_200010235790 [0,0,1,0,0,0|2,0,0]=3 102 B16R2.2942 CCCCc1cnc2ccccc2c1Cl 271570a_100020621405_100012352519 [0,0,1,0,0,0|1,0,0]=2 103 B16R2.2942 CCCCc1cnc2ccccc2c1N 271570a_100020621405_100009995562 [0,0,1,0,0,0|0,0,0]=1 104 B16R2.2942 CCCCc1coc2ccccc2c1=O 271570a_100020621405_100009813851 [0,0,1,0,0,0|2,0,0]=3 105 B16R2.2942 CCCCc1ncc2ccccc2c1N 271570a_100020621405_100000087573 [0,0,1,0,0,0|2,0,0]=3 106 B16R2.2942 CCCCc1nnc2ccccc2c1O 271570a_100020621405_100000688347 [0,0,1,0,0,0|2,0,0]=3 107 B16R2.2942 CCCNc1ccc2ccccc2c1Br 34a_100000705303_100000210303 [0,0,1,0,0,0|3,0,0]=4 108 B16R2.2942 CCCNc1ccc2ccccc2c1Cl 34a_100000075557_100000210303 [0,0,1,0,0,0|3,0,0]=4 109 B16R2.2942 CCCNc1ccc2ccccc2c1O 34a_100000007060_100000210303 [0,0,1,0,0,0|3,0,0]=4 110 B16R2.2942 CCCOc1ccc2ccccc2c1Br 34a_100000183829_100000210303 [0,0,1,0,0,0|3,0,0]=4 111 B16R2.2942 CCCOc1ccc2ccccc2c1Br 7a_100000183829_100000210303 [0,0,1,0,0,0|3,0,0]=4 112 B16R2.2942 CCCOc1ccc2ccccc2c1C 34a_100009830054_100000210303 [0,0,1,0,0,0|3,0,0]=4 113 B16R2.2942 CCCOc1ccc2ccccc2c1C 7a_100009830054_100000210303 [0,0,1,0,0,0|3,0,0]=4 114 B16R2.2942 CCCOc1ccc2ccccc2c1Cl 34a_100000029778_100000210303 [0,0,1,0,0,0|3,0,0]=4 115 B16R2.2942 CCCOc1ccc2ccccc2c1Cl 7a_100000029778_100000210303 [0,0,1,0,0,0|3,0,0]=4 116 B16R2.2942 CCCOc1ccc2ccccc2c1I 34a_100000041551_100000210303 [0,0,1,0,0,0|3,0,0]=4 117 B16R2.2942 CCCOc1ccc2ccccc2c1I 7a_100000041551_100000210303 [0,0,1,0,0,0|3,0,0]=4 118 B16R2.2942 CCCOc1ccc2ccccc2c1N 34a_100000007056_100000210303 [0,0,1,0,0,0|2,0,0]=3 119 B16R2.2942 CCCOc1ccc2ccccc2c1N 7a_100000007056_100000210303 [0,0,1,0,0,0|2,0,0]=3 120 B16R2.2942 CCCSc1c[nH]c2ccccc2c1=O 62a_100000210303_100012348052 [0,0,1,0,0,0|2,0,1]=4 121 B16R2.2942 CCCSc1ccc2ccccc2c1C 62a_100000210303_100010221197 [0,0,1,0,0,0|3,0,0]=4 122 B16R2.2942 CCCSc1ccc2ccccc2c1C 62a_100010221197_100000210303 [0,0,1,0,0,0|3,0,0]=4 123 B16R2.2942 CCCSc1ccc2ccccc2c1F 62a_100000210303_100009832041 [0,0,1,0,0,0|3,0,0]=4 124 B16R2.2942 CCCSc1ccc2ccccc2c1F 62a_100009832041_100000210303 [0,0,1,0,0,0|3,0,0]=4 125 B16R2.2942 CCCSc1ccc2ccccc2c1N 62a_100009817101_100000210303 [0,0,1,0,0,0|2,0,0]=3 126 B16R2.2942 CCCSc1ccc2ccccc2c1O 62a_100000210303_100009996032 [0,0,1,0,0,0|3,0,0]=4 127 B16R2.2942 CCCSc1ccc2cnccc2c1N 62a_100000210303_100010191621 [0,0,1,0,0,0|3,0,0]=4 128 B16R2.2942 CCCSc1ccc2cnccc2c1N 62a_100010191621_100000210303 [0,0,1,0,0,0|3,0,0]=4 129 B16R2.2942 CCCSc1ccc2ncccc2c1N 62a_200010235790_100000210303 [0,0,1,0,0,0|3,0,0]=4 130 B16R2.2942 CCCSc1cnc2ccccc2c1Cl 62a_100000210303_100012352519 [0,0,1,0,0,0|2,0,0]=3 131 B16R2.2942 CCCSc1cnc2ccccc2c1N 62a_100000210303_100009995562 [0,0,1,0,0,0|1,0,0]=2 132 B16R2.2942 CCCSc1cnc2ccccc2c1N 62a_100009995562_100000210303 [0,0,1,0,0,0|1,0,0]=2 133 B16R2.2942 CCCSc1coc2ccccc2c1=O 62a_100000210303_100009813851 [0,0,1,0,0,0|3,0,0]=4 134 B16R2.2942 CCCSc1ncc2ccccc2c1N 62a_100000210303_100000087573 [0,0,1,0,0,0|3,0,0]=4 135 B16R2.2942 CCCSc1ncc2ccccc2c1N 62a_100009995564_100000210303 [0,0,1,0,0,0|3,0,0]=4 136 B16R2.2942 CCCSc1nnc2ccccc2c1O 62a_100000210303_100000688347 [0,0,1,0,0,0|3,0,0]=4 137 B16R2.2942 CCNCc1ccc2ccccc2c1Br 207a_100015525214_100009813496 [0,0,1,0,0,0|3,0,0]=4 138 B16R2.2942 CCNCc1ccc2ccccc2c1Br 2230a_100015525214_100009813938 [0,0,1,0,0,0|3,0,0]=4 139 B16R2.2942 CCNCc1ccc2ccccc2c1Br 270004a_100015525214_100009813496 [0,0,1,0,0,0|3,0,0]=4 140 B16R2.2942 CCNCc1cnc2ccccc2c1Cl 270004a_100015525214_100000037458 [0,0,1,0,0,0|2,0,0]=3 141 B16R2.2942 CCNCc1coc2ccccc2c1=O 270004a_100015525214_100000195500 [0,0,1,0,0,0|3,0,0]=4 142 B16R2.2942 CCOCc1ccc2ccccc2c1Br 34a_100121572206_100009813938 [0,0,1,0,0,0|3,0,0]=4 143 B16R2.2942 CCSCc1ccc2ccccc2c1Br 62a_100000210202_100009813938 [0,0,1,0,0,0|3,0,0]=4 144 B16R2.2942 CCSCc1ccc2ccccc2c1Br 62a_100009813938_100000210202 [0,0,1,0,0,0|3,0,0]=4 145 B16R2.2942 CNCCn1cnc2ccccc2c1=O 2230a_106832991635_200000757059 [0,0,1,0,0,0|3,0,0]=4 146 B16R2.2942 CNCCn1cnc2ccccc2c1=O 34a_100102657272_200000757059 [0,0,1,0,0,0|3,0,0]=4 147 B16R2.2942 CNCCn1cnc2ccccc2c1=O 7a_106832991635_200000757059 [0,0,1,0,0,0|3,0,0]=4 148 B16R2.2942 COCCn1cnc2ccccc2c1=O 34a_100138415774_200000757059 [0,0,1,0,0,0|3,0,0]=4 149 B16R2.2942 COCSc1ccc2ccccc2c1N 62a_100009817101_100000766300 [0,0,1,0,0,0|3,0,0]=4 150 B16R2.2942 COCSc1cnc2ccccc2c1Cl 62a_100000766300_100012352519 [0,0,1,0,0,0|3,0,0]=4 151 B16R2.2942 COCSc1cnc2ccccc2c1N 62a_100000766300_100009995562 [0,0,1,0,0,0|2,0,0]=3 152 B16R2.2942 COCSc1cnc2ccccc2c1N 62a_100009995562_100000766300 [0,0,1,0,0,0|2,0,0]=3 153 B16R2.2942 CSCCn1cnc2ccccc2c1=O 62a_200000210301_200000757059 [0,0,1,0,0,0|3,0,0]=4 154 B16R2.2942 CSCCn1cnc2ccccc2c1=O 62a_200000757059_200000210301 [0,0,1,0,0,0|3,0,0]=4 155 B16R2.2942 CSCOc1ccc2ccccc2c1N 34a_100000007056_100011218213 [0,0,1,0,0,0|3,0,0]=4 156 B16R2.2942 CSCSc1ccc2ccccc2c1N 62a_100009817101_100011218213 [0,0,1,0,0,0|3,0,0]=4 157 B16R2.2942 CSCSc1cnc2ccccc2c1Cl 62a_100011218213_100012352519 [0,0,1,0,0,0|3,0,0]=4 158 B16R2.2942 CSCSc1cnc2ccccc2c1N 62a_100009995562_100011218213 [0,0,1,0,0,0|2,0,0]=3 159 B16R2.2942 CSCSc1cnc2ccccc2c1N 62a_100011218213_100009995562 [0,0,1,0,0,0|2,0,0]=3 160 B16R2.2942 FCCSc1cnc2ccccc2c1Cl 62a_100011217306_100012352519 [0,0,1,0,0,0|3,0,0]=4 161 B16R2.2942 N#CCSc1cnc2ccccc2c1N 62a_100009995562_100011215382 [0,0,1,0,0,0|2,0,1]=4 162 B16R2.2942 N#CCSc1cnc2ccccc2c1N 62a_100011215382_100009995562 [0,0,1,0,0,0|2,0,1]=4 163 B16R2.2942 Nc1c(ccc2c1cccc2)OCCF 34a_100000007056_100011217306 [0,0,1,0,0,0|3,0,0]=4 164 B16R2.2942 Nc1c(ccc2c1cccc2)OCCF 7a_100000007056_100011217306 [0,0,1,0,0,0|3,0,0]=4 165 B16R2.2942 Nc1c(ccc2c1cccc2)OCCO 34a_100000007056_100000211926 [0,0,1,0,0,0|3,0,0]=4 166 B16R2.2942 Nc1c(ccc2c1cccc2)OCCO 7a_100000007056_100000211926 [0,0,1,0,0,0|3,0,0]=4 167 B16R2.2942 Nc1c(ccc2c1cccc2)SCCF 62a_100009817101_100011217306 [0,0,1,0,0,0|3,0,0]=4 168 B16R2.2942 Nc1c(ccc2c1cccc2)SCCO 62a_100009817101_100000211926 [0,0,1,0,0,0|3,0,0]=4 169 B16R2.2942 Nc1c(cnc2c1cccc2)SCC=O 62a_100009995562_200015260668 [0,0,1,0,0,0|2,0,1]=4 170 B16R2.2942 Nc1c(cnc2c1cccc2)SCC=O 62a_200015260668_100009995562 [0,0,1,0,0,0|2,0,1]=4 171 B16R2.2942 Nc1c(cnc2c1cccc2)SCCF 62a_100009995562_100011217306 [0,0,1,0,0,0|2,0,0]=3 172 B16R2.2942 Nc1c(cnc2c1cccc2)SCCF 62a_100011217306_100009995562 [0,0,1,0,0,0|2,0,0]=3 173 B16R2.2942 Nc1c(cnc2c1cccc2)SCCO 62a_100000211926_100009995562 [0,0,1,0,0,0|2,0,0]=3 174 B16R2.2942 Nc1c(cnc2c1cccc2)SCCO 62a_100009995562_100000211926 [0,0,1,0,0,0|2,0,0]=3 175 B16R2.2942 OCCSc1cnc2ccccc2c1Cl 62a_100000211926_100012352519 [0,0,1,0,0,0|3,0,0]=4 176 B16R2.2942 [13CH3]SCCn1cnc2ccccc2c1=O 62a_200000757059_200025704644 [0,0,1,0,0,0|3,0,0]=4 177 B16R2.2942 [13CH3]SCCn1cnc2ccccc2c1=O 62a_200025704644_200000757059 [0,0,1,0,0,0|3,0,0]=4 178 B16R2.3896 O=C1CCCCC1C(=O)c2ccccc2 1458a_100000185807_100000204591 [0,0,1,0,0,0|2,0,1]=4 179 B16R2.5844 CCSc1c(nc2ccccc2c1C)O 62a_100000210202_100009820873 [0,0,1,0,0,0|3,0,0]=4 180 B16R2.21738 CCNc1nc2ccccc2c(=O)n1C 27a_100015525214_200000215938 [0,0,1,0,0,0|3,0,0]=4 181 B16R2.21738 CCSc1nc2ccccc2c(=O)n1C 62a_100000210202_200000215938 [0,0,1,0,0,0|3,0,0]=4 182 B16R3.2754 Oc1c2c(nc3c1cccc3)CCC2 271570a_203496583355_100011467374 [0,0,0,0,1,0|1,0,0]=2 183 B15R2.352 C=CCOc1cnc2c(c1)CCCC2 34a_100009840790_100015514636 [1,0,1,0,0,0|1,0,1]=4 184 B15R2.352 C=CCOc1cnc2c(c1)CCCC2 7a_100009840790_100015514636 [1,0,1,0,0,0|1,0,1]=4 185 B15R2.352 C=CCSc1ccc2c(n1)CCCC2 62a_100000046135_100000210623 [1,0,1,0,0,0|1,0,1]=4 186 B15R2.352 C=CCSc1ccc2c(n1)CCCC2 62a_100000210623_100000046135 [1,0,1,0,0,0|1,0,1]=4 187 B15R2.352 C=CCSc1cnc2c(c1)CCCC2 62a_100000210623_100010236098 [1,0,1,0,0,0|1,0,1]=4 188 B15R2.352 C=CCSc1cnc2c(c1)CCCC2 62a_100010236098_100000210623 [1,0,1,0,0,0|1,0,1]=4 189 B15R2.352 CCCCc1cc2ccccc2cn1 271570a_100020621405_100000047361 [1,0,1,0,0,0|2,0,0]=4 190 B15R2.352 CCCCc1ccc2ccccc2c1 271570a_100020621405_100000233703 [1,0,1,0,0,0|1,0,0]=3 191 B15R2.352 CCCCc1ccc2ccccc2n1 271570a_100020621405_100011291633 [1,0,1,0,0,0|0,0,0]=2 192 B15R2.352 CCCCc1ccc2cccnc2c1 271570a_100020621405_100009816655 [1,0,1,0,0,0|2,0,0]=4 193 B15R2.352 CCCCc1ccc2cccnc2n1 271570a_100020621405_100009888989 [1,0,1,0,0,0|1,0,0]=3 194 B15R2.352 CCCCc1ccc2ccncc2c1 271570a_100020621405_100000686496 [1,0,1,0,0,0|2,0,0]=4 195 B15R2.352 CCCCc1ccc2ccncc2n1 271570a_100020621405_100000020162 [1,0,1,0,0,0|1,0,0]=3 196 B15R2.352 CCCCc1ccc2cnccc2c1 271570a_100020621405_100009816743 [1,0,1,0,0,0|2,0,0]=4 197 B15R2.352 CCCCc1ccc2ncccc2c1 271570a_100020621405_100000754243 [1,0,1,0,0,0|2,0,0]=4 198 B15R2.352 CCCCc1ccc2ncccc2n1 271570a_100020621405_100000073381 [1,0,1,0,0,0|1,0,0]=3 199 B15R2.352 CCCCc1ccc2nccnc2n1 271570a_100020621405_100012351543 [1,0,1,0,0,0|2,0,0]=4 200 B15R2.352 CCCCc1cnc2ccccc2c1 271570a_100020621405_100000737414 [1,0,1,0,0,0|0,0,0]=2 201 B15R2.352 CCCCc1cnc2ccccc2n1 271570a_100020621405_100000756483 [1,0,1,0,0,0|1,0,0]=3 202 B15R2.352 CCCCc1cnc2cccnc2c1 271570a_100020621405_100010246316 [1,0,1,0,0,0|1,0,0]=3 203 B15R2.352 CCCCc1cnc2ncccc2n1 271570a_100020621405_100000084304 [1,0,1,0,0,0|2,0,0]=4 204 B15R2.352 CCCCc1cnc2nccnc2c1 271570a_100020621405_100000753224 [1,0,1,0,0,0|2,0,0]=4 205 B15R2.352 CCCCc1ncc2ccccc2n1 271570a_100020621405_100000097389 [1,0,1,0,0,0|1,0,0]=3 206 B15R2.352 CCCNc1ccc2ccccc2c1 34a_100000211940_100000210303 [1,0,1,0,0,0|2,0,0]=4 207 B15R2.352 CCCNc1ccc2ccccc2c1 7a_100000211940_100000210303 [1,0,1,0,0,0|2,0,0]=4 208 B15R2.352 CCCOc1ccc2ccccc2c1 34a_100000185828_100000210303 [1,0,1,0,0,0|2,0,0]=4 209 B15R2.352 CCCOc1ccc2ccccc2c1 7a_100000185828_100000210303 [1,0,1,0,0,0|2,0,0]=4 210 B15R2.352 CCCOc1cnc2ccccc2c1 34a_100011934006_100000210303 [1,0,1,0,0,0|1,0,0]=3 211 B15R2.352 CCCOc1cnc2ccccc2c1 7a_100011934006_100000210303 [1,0,1,0,0,0|1,0,0]=3 212 B15R2.352 CCCSc1ccc2ccccc2c1 62a_100000210303_100000233703 [1,0,1,0,0,0|2,0,0]=4 213 B15R2.352 CCCSc1ccc2ccccc2n1 62a_100000210303_100011291633 [1,0,1,0,0,0|1,0,0]=3 214 B15R2.352 CCCSc1ccc2ccccc2n1 62a_100011291633_100000210303 [1,0,1,0,0,0|1,0,0]=3 215 B15R2.352 CCCSc1ccc2cccnc2n1 62a_100000075685_100000210303 [1,0,1,0,0,0|2,0,0]=4 216 B15R2.352 CCCSc1ccc2cccnc2n1 62a_100000210303_100000075685 [1,0,1,0,0,0|2,0,0]=4 217 B15R2.352 CCCSc1ccc2ccncc2n1 62a_100000210303_100000020162 [1,0,1,0,0,0|2,0,0]=4 218 B15R2.352 CCCSc1ccc2ncccc2n1 62a_100000210303_100000073381 [1,0,1,0,0,0|2,0,0]=4 219 B15R2.352 CCCSc1cnc2ccccc2c1 62a_100000210303_100000737414 [1,0,1,0,0,0|1,0,0]=3 220 B15R2.352 CCCSc1cnc2ccccc2n1 62a_100000210303_100000756483 [1,0,1,0,0,0|2,0,0]=4 221 B15R2.352 CCCSc1cnc2ccccc2n1 62a_100000756483_100000210303 [1,0,1,0,0,0|2,0,0]=4 222 B15R2.352 CCCSc1cnc2cccnc2c1 62a_100000210303_100010246316 [1,0,1,0,0,0|2,0,0]=4 223 B15R2.352 CCCSc1cnc2cccnc2c1 62a_100010246316_100000210303 [1,0,1,0,0,0|2,0,0]=4 224 B15R2.352 CCCSc1ncc2ccccc2n1 62a_100000210303_100000097389 [1,0,1,0,0,0|2,0,0]=4 225 B15R2.352 CCNCc1ccc2ccccc2c1 207a_100015525214_100000211584 [1,0,1,0,0,0|2,0,0]=4 226 B15R2.352 CCNCc1ccc2ccccc2c1 2230a_100000739491_100000210202 [1,0,1,0,0,0|2,0,0]=4 227 B15R2.352 CCNCc1ccc2ccccc2c1 2230a_100015525214_100011216711 [1,0,1,0,0,0|2,0,0]=4 228 B15R2.352 CCNCc1ccc2ccccc2c1 270004a_100015525214_100000211584 [1,0,1,0,0,0|2,0,0]=4 229 B15R2.352 CCNCc1ccc2ccccc2c1 34a_100000739491_100000210202 [1,0,1,0,0,0|2,0,0]=4 230 B15R2.352 CCNCc1ccc2ccccc2n1 207a_100015525214_100000759686 [1,0,1,0,0,0|1,0,0]=3 231 B15R2.352 CCNCc1ccc2ccccc2n1 2230a_100015525214_100000737579 [1,0,1,0,0,0|1,0,0]=3 232 B15R2.352 CCNCc1ccc2ccccc2n1 270004a_100015525214_100000759686 [1,0,1,0,0,0|1,0,0]=3 233 B15R2.352 CCNCc1cnc2ccccc2c1 207a_100015525214_100000750898 [1,0,1,0,0,0|1,0,0]=3 234 B15R2.352 CCNCc1cnc2ccccc2c1 270004a_100015525214_100000750898 [1,0,1,0,0,0|1,0,0]=3 235 B15R2.352 CCNCc1cnc2ccccc2c1 34a_100000742225_100000210202 [1,0,1,0,0,0|1,0,0]=3 236 B15R2.352 CCNCc1cnc2ccccc2n1 270004a_100015525214_100000204677 [1,0,1,0,0,0|2,0,0]=4 237 B15R2.352 CCOCc1ccc2ccccc2c1 34a_100011215330_100000210202 [1,0,1,0,0,0|2,0,0]=4 238 B15R2.352 CCOCc1ccc2ccccc2c1 34a_100121572206_100011216711 [1,0,1,0,0,0|2,0,0]=4 239 B15R2.352 CCOCc1ccc2ccccc2c1 7a_100011215330_100000210202 [1,0,1,0,0,0|2,0,0]=4 240 B15R2.352 CCOCc1ccc2ccccc2n1 34a_100121572206_100000737579 [1,0,1,0,0,0|1,0,0]=3 241 B15R2.352 CCOCc1cnc2ccccc2c1 34a_100011258773_100000210202 [1,0,1,0,0,0|1,0,0]=3 242 B15R2.352 CCOCc1ncc2ccccc2n1 34a_100121572206_100009868571 [1,0,1,0,0,0|2,0,0]=4 243 B15R2.352 CCSCc1ccc2ccccc2c1 62a_100000210202_100011216711 [1,0,1,0,0,0|2,0,0]=4 244 B15R2.352 CCSCc1ccc2ccccc2c1 62a_100011216711_100000210202 [1,0,1,0,0,0|2,0,0]=4 245 B15R2.352 CCSCc1ccc2ccccc2n1 62a_100000210202_100000737579 [1,0,1,0,0,0|1,0,0]=3 246 B15R2.352 CCSCc1ccc2ccccc2n1 62a_100000737579_100000210202 [1,0,1,0,0,0|1,0,0]=3 247 B15R2.352 CCSCc1cnc2ccccc2n1 62a_100000210202_200000751123 [1,0,1,0,0,0|2,0,0]=4 248 B15R2.352 CCSCc1cnc2ccccc2n1 62a_200000751123_100000210202 [1,0,1,0,0,0|2,0,0]=4 249 B15R2.352 CCSCc1ncc2ccccc2n1 62a_100000210202_100009868571 [1,0,1,0,0,0|2,0,0]=4 250 B15R2.352 CCSCc1ncc2ccccc2n1 62a_100009868571_100000210202 [1,0,1,0,0,0|2,0,0]=4 251 B15R2.352 CNCCc1ccc2ccccc2c1 2230a_100000746582_200000210301 [1,0,1,0,0,0|2,0,0]=4 252 B15R2.352 CNCCc1ccc2ccccc2c1 34a_100000746582_200000210301 [1,0,1,0,0,0|2,0,0]=4 253 B15R2.352 COCCc1ccc2ccccc2c1 34a_100000755654_200000210301 [1,0,1,0,0,0|2,0,0]=4 254 B15R2.352 COCCc1ccc2ccccc2c1 7a_100000755654_200000210301 [1,0,1,0,0,0|2,0,0]=4 255 B15R2.352 COCCc1ccc2ccccc2n1 34a_100011996444_200000210301 [1,0,1,0,0,0|1,0,0]=3 256 B15R2.352 COCSc1ccc2ccccc2n1 62a_100000766300_100011291633 [1,0,1,0,0,0|2,0,0]=4 257 B15R2.352 COCSc1ccc2ccccc2n1 62a_100011291633_100000766300 [1,0,1,0,0,0|2,0,0]=4 258 B15R2.352 COCSc1cnc2ccccc2c1 62a_100000766300_100000737414 [1,0,1,0,0,0|2,0,0]=4 259 B15R2.352 CSCOc1cnc2ccccc2c1 34a_100011934006_100011218213 [1,0,1,0,0,0|2,0,0]=4 260 B15R2.352 CSCSc1ccc2ccccc2n1 62a_100011218213_100011291633 [1,0,1,0,0,0|2,0,0]=4 261 B15R2.352 CSCSc1ccc2ccccc2n1 62a_100011291633_100011218213 [1,0,1,0,0,0|2,0,0]=4 262 B15R2.352 CSCSc1cnc2ccccc2c1 62a_100011218213_100000737414 [1,0,1,0,0,0|2,0,0]=4 263 B15R2.352 FCCOc1cnc2ccccc2c1 34a_100011934006_100011217306 [1,0,1,0,0,0|2,0,0]=4 264 B15R2.352 FCCOc1cnc2ccccc2c1 7a_100011934006_100011217306 [1,0,1,0,0,0|2,0,0]=4 265 B15R2.352 FCCSc1ccc2ccccc2n1 62a_100011217306_100011291633 [1,0,1,0,0,0|2,0,0]=4 266 B15R2.352 FCCSc1ccc2ccccc2n1 62a_100011291633_100011217306 [1,0,1,0,0,0|2,0,0]=4 267 B15R2.352 FCCSc1cnc2ccccc2c1 62a_100011217306_100000737414 [1,0,1,0,0,0|2,0,0]=4 268 B15R2.352 FCNCc1cnc2ccccc2c1 34a_100000742225_100015361967 [1,0,1,0,0,0|2,0,0]=4 269 B15R2.352 FCOCc1cnc2ccccc2c1 34a_100011258773_100015361967 [1,0,1,0,0,0|2,0,0]=4 270 B15R2.352 FCSCc1ccc2ccccc2n1 62a_100000737579_100015361967 [1,0,1,0,0,0|2,0,0]=4 271 B15R2.352 FCSCc1ccc2ccccc2n1 62a_100015361967_100000737579 [1,0,1,0,0,0|2,0,0]=4 272 B15R2.352 OCCNc1ccc2ccccc2n1 27a_100000210304_100011291633 [1,0,1,0,0,0|2,0,0]=4 273 B15R2.352 OCCOc1cnc2ccccc2c1 34a_100011934006_100000211926 [1,0,1,0,0,0|2,0,0]=4 274 B15R2.352 OCCOc1cnc2ccccc2c1 7a_100011934006_100000211926 [1,0,1,0,0,0|2,0,0]=4 275 B15R2.352 OCCSc1ccc2ccccc2n1 62a_100000211926_100011291633 [1,0,1,0,0,0|2,0,0]=4 276 B15R2.352 OCCSc1ccc2ccccc2n1 62a_100011291633_100000211926 [1,0,1,0,0,0|2,0,0]=4 277 B15R2.352 OCCSc1cnc2ccccc2c1 62a_100000211926_100000737414 [1,0,1,0,0,0|2,0,0]=4 278 B15R2.352 [13CH3]NCCc1ccc2ccccc2c1 2230a_100000746582_200025704644 [1,0,1,0,0,0|2,0,0]=4 279 B15R2.352 [13CH3]NCCc1ccc2ccccc2c1 34a_100000746582_200025704644 [1,0,1,0,0,0|2,0,0]=4 280 B15R2.352 [13CH3]OCCc1ccc2ccccc2c1 34a_100000755654_200025704644 [1,0,1,0,0,0|2,0,0]=4 281 B15R2.352 [13CH3]OCCc1ccc2ccccc2c1 7a_100000755654_200025704644 [1,0,1,0,0,0|2,0,0]=4 282 B15R2.352 [13CH3]OCCc1ccc2ccccc2n1 34a_100011996444_200025704644 [1,0,1,0,0,0|1,0,0]=3 283 B15R2.886 CC=Cc1cc(c2ccccc2n1)N 271570a_100016259895_100010197925 [1,0,1,0,0,0|0,0,2]=4 284 B15R2.886 CCNc1cc(c2ccccc2n1)C 27a_100015525214_100000184993 [1,0,1,0,0,0|2,0,0]=4 285 B15R2.886 CCNc1nc(c2ccccc2n1)N 27a_100015525214_100000690328 [1,0,1,0,0,0|2,0,0]=4 286 B15R2.886 CCSc1cc(c2ccccc2c1)N 62a_100000210202_100010171453 [1,0,1,0,0,0|2,0,0]=4 287 B15R2.886 CCSc1cc(c2ccccc2c1)N 62a_100010171453_100000210202 [1,0,1,0,0,0|2,0,0]=4 288 B15R2.886 CCSc1cc(c2ccccc2n1)C 62a_100000210202_100000184993 [1,0,1,0,0,0|2,0,0]=4 289 B15R2.886 CCSc1cc(c2ccccc2n1)C 62a_100012354972_100000210202 [1,0,1,0,0,0|2,0,0]=4 290 B15R2.886 CCSc1cc(c2ccccc2n1)N 62a_100010197925_100000210202 [1,0,1,0,0,0|1,0,0]=3 291 B15R2.886 CCSc1nc(c2ccccc2n1)N 62a_100000690328_100000210202 [1,0,1,0,0,0|2,0,0]=4 292 B15R2.886 Nc1cc(nc2c1cccc2)SCF 62a_100010197925_100015361967 [1,0,1,0,0,0|2,0,0]=4 293 B15R2.2220 CC=Cc1cnc2ccccc2c1N 271570a_100016259895_100009995562 [1,0,1,0,0,0|0,0,2]=4 294 B15R2.2220 CCOc1ccc2ccccc2c1N 34a_100000007056_100000210202 [1,0,1,0,0,0|2,0,0]=4 295 B15R2.2220 CCOc1ccc2ccccc2c1N 7a_100000007056_100000210202 [1,0,1,0,0,0|2,0,0]=4 296 B15R2.2220 CCSc1ccc2ccccc2c1N 62a_100009817101_100000210202 [1,0,1,0,0,0|2,0,0]=4 297 B15R2.2220 CCSc1cnc2ccccc2c1Cl 62a_100000210202_100012352519 [1,0,1,0,0,0|2,0,0]=4 298 B15R2.2220 CCSc1cnc2ccccc2c1N 62a_100000210202_100009995562 [1,0,1,0,0,0|1,0,0]=3 299 B15R2.2220 CCSc1cnc2ccccc2c1N 62a_100009995562_100000210202 [1,0,1,0,0,0|1,0,0]=3 300 B15R2.2220 CNCc1cnc2ccccc2c1Cl 270004a_106832991635_100000037458 [1,0,1,0,0,0|2,0,0]=4 301 B15R2.2220 Nc1c(cnc2c1cccc2)SCF 62a_100009995562_100015361967 [1,0,1,0,0,0|2,0,0]=4 302 B15R2.2220 Nc1c(cnc2c1cccc2)SCF 62a_100015361967_100009995562 [1,0,1,0,0,0|2,0,0]=4 303 B15R2.888 CC=Cc1nc2ccccc2cc1C 271570a_100016259895_100000751756 [1,0,1,0,0,0|0,0,2]=4 304 B15R2.888 CCNc1nc2ccccc2cc1C 27a_100015525214_100000751756 [1,0,1,0,0,0|1,0,0]=3 305 B15R2.888 CCNc1nc2ccccc2nc1C 27a_100015525214_100000185947 [1,0,1,0,0,0|2,0,0]=4 306 B15R2.888 CCNc1nc2ncccc2cc1C 27a_100015525214_100009877248 [1,0,1,0,0,0|2,0,0]=4 307 B15R2.888 CCOc1cc2ccccc2cc1C 34a_100000091601_100000210202 [1,0,1,0,0,0|2,0,0]=4 308 B15R2.888 CCOc1cc2ccccc2cc1C 7a_100000091601_100000210202 [1,0,1,0,0,0|2,0,0]=4 309 B15R2.888 CCOc1cc2ccccc2nc1C 34a_200000079175_100000210202 [1,0,1,0,0,0|1,0,0]=3 310 B15R2.888 CCOc1cc2ccccc2nc1C 7a_200000079175_100000210202 [1,0,1,0,0,0|1,0,0]=3 311 B15R2.888 CCOc1cc2ccccc2nc1Cl 34a_200000100762_100000210202 [1,0,1,0,0,0|2,0,0]=4 312 B15R2.888 CCOc1cc2ccccc2nc1Cl 7a_200000100762_100000210202 [1,0,1,0,0,0|2,0,0]=4 313 B15R2.888 CCSc1cc2ccccc2nc1Cl 62a_100000210202_100010220712 [1,0,1,0,0,0|2,0,0]=4 314 B15R2.888 CCSc1cc2ccccc2nc1F 62a_100000210202_100011158909 [1,0,1,0,0,0|2,0,0]=4 315 B15R2.888 CCSc1cc2ccccc2nc1F 62a_100011158909_100000210202 [1,0,1,0,0,0|2,0,0]=4 316 B15R2.888 CCSc1cc2ccccc2nc1N 62a_100010135404_100000210202 [1,0,1,0,0,0|2,0,0]=4 317 B15R2.888 CCSc1cc2ccccc2nc1O 62a_100000210202_200009820883 [1,0,1,0,0,0|2,0,0]=4 318 B15R2.888 CCSc1nc2ccccc2cc1Br 62a_100000210202_100010072790 [1,0,1,0,0,0|2,0,0]=4 319 B15R2.888 CCSc1nc2ccccc2cc1Br 62a_100010072790_100000210202 [1,0,1,0,0,0|2,0,0]=4 320 B15R2.888 CCSc1nc2ccccc2cc1C 62a_100000210202_100000751756 [1,0,1,0,0,0|1,0,0]=3 321 B15R2.888 CCSc1nc2ccccc2cc1O 62a_100000210202_200000100762 [1,0,1,0,0,0|2,0,0]=4 322 B15R2.888 CCSc1nc2ccccc2nc1C 62a_100000210202_100000185947 [1,0,1,0,0,0|2,0,0]=4 323 B15R2.888 CCSc1nc2ccccc2nc1C 62a_100000757254_100000210202 [1,0,1,0,0,0|2,0,0]=4 324 B15R2.888 CCSc1nc2ncccc2cc1C 62a_100000210202_100009877248 [1,0,1,0,0,0|2,0,0]=4 325 B15R2.888 CNCc1cc2ccccc2nc1Cl 2230a_106832991635_100000189640 [1,0,1,0,0,0|2,0,0]=4 326 B15R2.888 CNCc1cc2ccccc2nc1Cl 34a_100102657272_100000189640 [1,0,1,0,0,0|2,0,0]=4 327 B15R2.888 CNCc1cc2ccccc2nc1Cl 7a_106832991635_100000189640 [1,0,1,0,0,0|2,0,0]=4 328 B15R2.888 CNCc1cc2ccccc2nc1O 207a_100102657272_100000184424 [1,0,1,0,0,0|2,0,0]=4 329 B15R2.888 CNCc1cc2ccccc2nc1O 270004a_106832991635_100000184424 [1,0,1,0,0,0|2,0,0]=4 330 B15R2.888 COCc1cc2ccccc2nc1Cl 34a_100000754719_200000210301 [1,0,1,0,0,0|2,0,0]=4 331 B15R2.888 COCc1cc2ccccc2nc1Cl 34a_100138415774_100000189640 [1,0,1,0,0,0|2,0,0]=4 332 B15R2.888 COCc1cc2ccccc2nc1Cl 7a_100000754719_200000210301 [1,0,1,0,0,0|2,0,0]=4 333 B15R2.888 CSCc1cc2ccccc2nc1Cl 62a_200000210301_100000189640 [1,0,1,0,0,0|2,0,0]=4 334 B15R2.888 Cc1cc2ccccc2nc1SCF 62a_100015361967_100000751756 [1,0,1,0,0,0|2,0,0]=4 335 B15R2.888 Cc1nc2ccccc2cc1OCF 34a_200000079175_100015361967 [1,0,1,0,0,0|2,0,0]=4 336 B15R2.888 Cc1nc2ccccc2cc1OCF 7a_200000079175_100015361967 [1,0,1,0,0,0|2,0,0]=4 337 B15R2.888 [13CH3]OCc1cc2ccccc2nc1Cl 34a_100000754719_200025704644 [1,0,1,0,0,0|2,0,0]=4 338 B15R2.888 [13CH3]OCc1cc2ccccc2nc1Cl 7a_100000754719_200025704644 [1,0,1,0,0,0|2,0,0]=4 339 B15R2.888 [13CH3]SCc1cc2ccccc2nc1Cl 62a_200025704644_100000189640 [1,0,1,0,0,0|2,0,0]=4 340 B15R2.117 C=Cc1nc2c(cc1C#N)CCCC2 271570a_100011290941_100000186327 [1,0,1,0,0,0|1,0,1]=4 341 B15R2.117 C=Cc1nc2ccccc2cc1CC 271570a_100011290941_100011829826 [1,0,1,0,0,0|0,0,2]=4 342 B15R2.117 CCc1cc2ccccc2nc1NC 27a_100102657272_100011829826 [1,0,1,0,0,0|1,0,0]=3 343 B15R2.117 CCc1cc2ccccc2nc1SC 62a_200000210301_100011829826 [1,0,1,0,0,0|1,0,0]=3 344 B15R2.117 CCc1cc2ccccc2nc1S[13CH3] 62a_200025704644_100011829826 [1,0,1,0,0,0|1,0,0]=3 345 B15R2.117 CNc1nc2ccccc2cc1CO 27a_100102657272_100000754719 [1,0,1,0,0,0|2,0,0]=4 346 B15R2.117 COc1nc2ccccc2cc1SC 62a_100009820890_200000210301 [1,0,1,0,0,0|2,0,0]=4 347 B15R2.117 COc1nc2ccccc2cc1SC 62a_200000210301_100009820890 [1,0,1,0,0,0|2,0,0]=4 348 B15R2.117 COc1nc2ccccc2cc1S[13CH3] 62a_100009820890_200025704644 [1,0,1,0,0,0|2,0,0]=4 349 B15R2.117 COc1nc2ccccc2cc1S[13CH3] 62a_200025704644_100009820890 [1,0,1,0,0,0|2,0,0]=4 350 B15R2.117 CSc1nc2ccccc2cc1CO 62a_200000210301_100000754719 [1,0,1,0,0,0|2,0,0]=4 351 B15R2.117 [13CH3]Sc1nc2ccccc2cc1CO 62a_200025704644_100000754719 [1,0,1,0,0,0|2,0,0]=4 352 B17R2.327 CCCCc1cc(c2ccccc2n1)OC 271570a_100020621405_200010892118 [0,1,1,0,0,0|1,0,0]=3 353 B17R2.12072 C#CCCSc1cc(c2ccccc2n1)N 62a_100010197925_100000688953 [0,1,1,0,0,0|0,0,2]=4 354 B17R2.12072 C/C=C/CSc1cc(c2ccccc2n1)N 62a_100010197925_100102629194 [0,1,1,0,0,0|0,0,2]=4 355 B17R2.12072 C=CCCSc1cc(c2ccccc2n1)N 62a_100010197925_100000754431 [0,1,1,0,0,0|0,0,2]=4 356 B17R2.12072 CC#CCSc1cc(c2ccccc2n1)N 62a_100010197925_100000748600 [0,1,1,0,0,0|0,0,2]=4 357 B17R2.12072 CC=CCSc1cc(c2ccccc2n1)N 62a_100010197925_100000070051 [0,1,1,0,0,0|0,0,2]=4 358 B17R2.12072 CCCC=Cc1cc(c2ccccc2c1)N 271570a_100016258520_100010171453 [0,1,1,0,0,0|1,0,1]=4 359 B17R2.12072 CCCC=Cc1cc(c2ccccc2n1)C 271570a_100016258520_100012354972 [0,1,1,0,0,0|1,0,1]=4 360 B17R2.12072 CCCC=Cc1cc(c2ccccc2n1)N 271570a_100016258520_100010197925 [0,1,1,0,0,0|0,0,1]=3 361 B17R2.12072 CCCCNc1cc(=O)n2ccccc2n1 27a_100000102301_100000707704 [0,1,1,0,0,0|2,0,0]=4 362 B17R2.12072 CCCCNc1cc(c2ccccc2c1)Br 34a_100010089974_100000210210 [0,1,1,0,0,0|2,0,0]=4 363 B17R2.12072 CCCCNc1cc(c2ccccc2c1)Br 7a_100010089974_100000210211 [0,1,1,0,0,0|2,0,0]=4 364 B17R2.12072 CCCCNc1cc(c2ccccc2n1)C 27a_100000102301_100000184993 [0,1,1,0,0,0|1,0,0]=3 365 B17R2.12072 CCCCNc1nc(c2ccccc2n1)C 27a_100000102301_100000046098 [0,1,1,0,0,0|2,0,0]=4 366 B17R2.12072 CCCCNc1nc(c2ccccc2n1)N 27a_100000102301_100000690328 [0,1,1,0,0,0|1,0,0]=3 367 B17R2.12072 CCCCNc1nc(c2ccccc2n1)O 27a_100000102301_100000187174 [0,1,1,0,0,0|2,0,0]=4 368 B17R2.12072 CCCCOc1cc(=O)n2ccccc2n1 34a_100000751361_100000210210 [0,1,1,0,0,0|2,0,0]=4 369 B17R2.12072 CCCCOc1cc(c2ccccc2c1)Br 34a_100010001680_100000210210 [0,1,1,0,0,0|2,0,0]=4 370 B17R2.12072 CCCCOc1cc(c2ccccc2c1)Br 7a_100010001680_100000210211 [0,1,1,0,0,0|2,0,0]=4 371 B17R2.12072 CCCCOc1cc(c2ncccc2c1)N 34a_100000083691_100000210210 [0,1,1,0,0,0|2,0,0]=4 372 B17R2.12072 CCCCSc1cc(=O)c2ccccc2[nH]1 62a_100000210211_100000090176 [0,1,1,0,0,0|1,0,1]=4 373 B17R2.12072 CCCCSc1cc(=O)n2ccccc2n1 62a_100000210211_100000707704 [0,1,1,0,0,0|2,0,0]=4 374 B17R2.12072 CCCCSc1cc(c2ccccc2c1)N 62a_100000210211_100010171453 [0,1,1,0,0,0|1,0,0]=3 375 B17R2.12072 CCCCSc1cc(c2ccccc2c1)N 62a_100010171453_100000210210 [0,1,1,0,0,0|1,0,0]=3 376 B17R2.12072 CCCCSc1cc(c2ccccc2c1)O 62a_100000210211_100010089979 [0,1,1,0,0,0|2,0,0]=4 377 B17R2.12072 CCCCSc1cc(c2ccccc2n1)C 62a_100000210211_100000184993 [0,1,1,0,0,0|1,0,0]=3 378 B17R2.12072 CCCCSc1cc(c2ccccc2n1)C 62a_100012354972_100000210210 [0,1,1,0,0,0|1,0,0]=3 379 B17R2.12072 CCCCSc1cc(c2ccccc2n1)N 62a_100010197925_100000210210 [0,1,1,0,0,0|0,0,0]=2 380 B17R2.12072 CCCCSc1cc(c2cccnc2c1)N 62a_100000210211_200010263263 [0,1,1,0,0,0|2,0,0]=4 381 B17R2.12072 CCCCSc1cc(c2cccnc2c1)N 62a_200010263263_100000210210 [0,1,1,0,0,0|2,0,0]=4 382 B17R2.12072 CCCCSc1cc(c2ncccc2c1)N 62a_100000210211_100009814519 [0,1,1,0,0,0|2,0,0]=4 383 B17R2.12072 CCCCSc1cc2ccccc2c(n1)N 62a_100000210211_100009957331 [0,1,1,0,0,0|2,0,0]=4 384 B17R2.12072 CCCCSc1cc2ccccc2c(n1)N 62a_100009957331_100000210210 [0,1,1,0,0,0|2,0,0]=4 385 B17R2.12072 CCCCSc1nc(c2ccccc2n1)C 62a_100000046098_100000210210 [0,1,1,0,0,0|2,0,0]=4 386 B17R2.12072 CCCCSc1nc(c2ccccc2n1)C 62a_100000210211_100000046098 [0,1,1,0,0,0|2,0,0]=4 387 B17R2.12072 CCCCSc1nc(c2ccccc2n1)N 62a_100000690328_100000210210 [0,1,1,0,0,0|1,0,0]=3 388 B17R2.12072 CCCCSc1nc(c2ccccc2n1)O 62a_100000210211_100000187174 [0,1,1,0,0,0|2,0,0]=4 389 B17R2.12072 CCCOCc1cc(=O)n2ccccc2n1 34a_100000210258_100000017730 [0,1,1,0,0,0|2,0,0]=4 390 B17R2.12072 CCCOCc1nc(c2ccccc2n1)C 34a_100000210258_100000736427 [0,1,1,0,0,0|2,0,0]=4 391 B17R2.12072 CCCSCc1cc(=O)n2ccccc2n1 62a_100000017730_100000210303 [0,1,1,0,0,0|2,0,0]=4 392 B17R2.12072 CCCSCc1cc(=O)n2ccccc2n1 62a_100000210303_100000017730 [0,1,1,0,0,0|2,0,0]=4 393 B17R2.12072 CCCSCc1nc(c2ccccc2n1)C 62a_100000210303_100000736427 [0,1,1,0,0,0|2,0,0]=4 394 B17R2.12072 CCCSCc1nc(c2ccccc2n1)C 62a_100000736427_100000210303 [0,1,1,0,0,0|2,0,0]=4 395 B17R2.12072 CCCSCc1nc(c2ccccc2n1)Cl 62a_100000210303_100010180038 [0,1,1,0,0,0|2,0,0]=4 396 B17R2.12072 CCCSCc1nc(c2ccccc2n1)Cl 62a_100010180038_100000210303 [0,1,1,0,0,0|2,0,0]=4 397 B17R2.12072 CCOC=Cc1cc(c2ccccc2n1)N 271570a_100016256518_100010197925 [0,1,1,0,0,0|0,0,2]=4 398 B17R2.12072 CCOCSc1cc(c2ccccc2c1)N 62a_100000739092_100010171453 [0,1,1,0,0,0|2,0,0]=4 399 B17R2.12072 CCOCSc1cc(c2ccccc2c1)N 62a_100010171453_100000739092 [0,1,1,0,0,0|2,0,0]=4 400 B17R2.12072 CCOCSc1cc(c2ccccc2n1)C 62a_100000739092_100000184993 [0,1,1,0,0,0|2,0,0]=4 401 B17R2.12072 CCOCSc1cc(c2ccccc2n1)C 62a_100012354972_100000739092 [0,1,1,0,0,0|2,0,0]=4 402 B17R2.12072 CCOCSc1cc(c2ccccc2n1)N 62a_100010197925_100000739092 [0,1,1,0,0,0|1,0,0]=3 403 B17R2.12072 CCOCSc1nc(c2ccccc2n1)N 62a_100000690328_100000739092 [0,1,1,0,0,0|2,0,0]=4 404 B17R2.12072 COCC=Cc1cc(c2ccccc2n1)N 271570a_100016286323_100010197925 [0,1,1,0,0,0|0,0,2]=4 405 B17R2.12072 COCCNc1cc(c2ccccc2n1)C 27a_100000209980_100000184993 [0,1,1,0,0,0|2,0,0]=4 406 B17R2.12072 COCCNc1nc(c2ccccc2n1)N 27a_100000209980_100000690328 [0,1,1,0,0,0|2,0,0]=4 407 B17R2.12072 COCCSc1cc(c2ccccc2c1)N 62a_100000233755_100010171453 [0,1,1,0,0,0|2,0,0]=4 408 B17R2.12072 COCCSc1cc(c2ccccc2c1)N 62a_100010171453_100000233755 [0,1,1,0,0,0|2,0,0]=4 409 B17R2.12072 COCCSc1cc(c2ccccc2n1)C 62a_100000233755_100000184993 [0,1,1,0,0,0|2,0,0]=4 410 B17R2.12072 COCCSc1cc(c2ccccc2n1)C 62a_100012354972_100000233755 [0,1,1,0,0,0|2,0,0]=4 411 B17R2.12072 COCCSc1cc(c2ccccc2n1)N 62a_100010197925_100000233755 [0,1,1,0,0,0|1,0,0]=3 412 B17R2.12072 COCCSc1nc(c2ccccc2n1)N 62a_100000690328_100000233755 [0,1,1,0,0,0|2,0,0]=4 413 B17R2.12072 CSCCNc1cc(c2ccccc2n1)C 27a_100020590264_100000184993 [0,1,1,0,0,0|2,0,0]=4 414 B17R2.12072 CSCCNc1nc(c2ccccc2n1)N 27a_100020590264_100000690328 [0,1,1,0,0,0|2,0,0]=4 415 B17R2.12072 CSCCSc1cc(c2ccccc2c1)N 62a_100000212216_100010171453 [0,1,1,0,0,0|2,0,0]=4 416 B17R2.12072 CSCCSc1cc(c2ccccc2c1)N 62a_100010171453_100000751147 [0,1,1,0,0,0|2,0,0]=4 417 B17R2.12072 CSCCSc1cc(c2ccccc2n1)C 62a_100000212216_100000184993 [0,1,1,0,0,0|2,0,0]=4 418 B17R2.12072 CSCCSc1cc(c2ccccc2n1)C 62a_100012354972_100000751147 [0,1,1,0,0,0|2,0,0]=4 419 B17R2.12072 CSCCSc1cc(c2ccccc2n1)N 62a_100010197925_100000751147 [0,1,1,0,0,0|1,0,0]=3 420 B17R2.12072 CSCCSc1nc(c2ccccc2n1)N 62a_100000690328_100000751147 [0,1,1,0,0,0|2,0,0]=4 421 B17R2.12072 Cc1cc(nc2c1cccc2)NCCCF 27a_100015189416_100000184993 [0,1,1,0,0,0|2,0,0]=4 422 B17R2.12072 Cc1cc(nc2c1cccc2)NCCCO 27a_100000182051_100000184993 [0,1,1,0,0,0|2,0,0]=4 423 B17R2.12072 Cc1cc(nc2c1cccc2)SCCCF 62a_100011934791_100000184993 [0,1,1,0,0,0|2,0,0]=4 424 B17R2.12072 Cc1cc(nc2c1cccc2)SCCCF 62a_100012354972_100011934791 [0,1,1,0,0,0|2,0,0]=4 425 B17R2.12072 Cc1cc(nc2c1cccc2)SCCCO 62a_100011215043_100000184993 [0,1,1,0,0,0|2,0,0]=4 426 B17R2.12072 Cc1cc(nc2c1cccc2)SCCCO 62a_100012354972_100011215043 [0,1,1,0,0,0|2,0,0]=4 427 B17R2.12072 N#CCCSc1cc(c2ccccc2n1)N 62a_100010197925_100011215226 [0,1,1,0,0,0|1,0,1]=4 428 B17R2.12072 Nc1cc(cc2c1cccc2)SCCCF 62a_100010171453_100011934791 [0,1,1,0,0,0|2,0,0]=4 429 B17R2.12072 Nc1cc(cc2c1cccc2)SCCCF 62a_100011934791_100010171453 [0,1,1,0,0,0|2,0,0]=4 430 B17R2.12072 Nc1cc(cc2c1cccc2)SCCCO 62a_100010171453_100011215043 [0,1,1,0,0,0|2,0,0]=4 431 B17R2.12072 Nc1cc(cc2c1cccc2)SCCCO 62a_100011215043_100010171453 [0,1,1,0,0,0|2,0,0]=4 432 B17R2.12072 Nc1cc(nc2c1cccc2)SCCCF 62a_100010197925_100011934791 [0,1,1,0,0,0|1,0,0]=3 433 B17R2.12072 Nc1cc(nc2c1cccc2)SCCCO 62a_100010197925_100011215043 [0,1,1,0,0,0|1,0,0]=3 434 B17R2.12072 Nc1nc(nc2c1cccc2)NCCCF 27a_100015189416_100000690328 [0,1,1,0,0,0|2,0,0]=4 435 B17R2.12072 Nc1nc(nc2c1cccc2)NCCCO 27a_100000182051_100000690328 [0,1,1,0,0,0|2,0,0]=4 436 B17R2.12072 Nc1nc(nc2c1cccc2)SCCCF 62a_100000690328_100011934791 [0,1,1,0,0,0|2,0,0]=4 437 B17R2.12072 Nc1nc(nc2c1cccc2)SCCCO 62a_100000690328_100011215043 [0,1,1,0,0,0|2,0,0]=4 438 B17R2.40403 C=C(C)CSc1cc(c2ccccc2n1)N 62a_100010197925_100000211660 [0,1,1,0,0,0|1,0,1]=4 439 B17R2.40403 CC(C)C=Cc1cc(c2ccccc2n1)N 271570a_100016257149_100010197925 [0,1,1,0,0,0|0,0,2]=4 440 B17R2.40403 CC(C)CNc1nc(c2ccccc2n1)N 27a_100000210953_100000690328 [0,1,1,0,0,0|2,0,0]=4 441 B17R2.40403 CC(C)CSc1cc(c2ccccc2c1)N 62a_100000210624_100010171453 [0,1,1,0,0,0|2,0,0]=4 442 B17R2.40403 CC(C)CSc1cc(c2ccccc2c1)N 62a_100010171453_100000210760 [0,1,1,0,0,0|2,0,0]=4 443 B17R2.40403 CC(C)CSc1cc(c2ccccc2n1)N 62a_100010197925_100000210760 [0,1,1,0,0,0|1,0,0]=3 444 B17R2.40403 CC(C)CSc1nc(c2ccccc2n1)N 62a_100000690328_100000210760 [0,1,1,0,0,0|2,0,0]=4 445 B17R2.40403 CC(O)C=Cc1cc(c2ccccc2n1)N 271570a_200011019289_100010197925 [0,1,1,0,0,0|0,0,2]=4 446 B17R2.40403 CC(O)CNc1nc(c2ccccc2n1)N 27a_100000210904_100000690328 [0,1,1,0,0,0|2,0,0]=4 447 B17R2.40403 CC(O)CSc1cc(c2ccccc2c1)N 62a_100010171453_100011218427 [0,1,1,0,0,0|2,0,0]=4 448 B17R2.40403 CC(O)CSc1cc(c2ccccc2c1)N 62a_100011218427_100010171453 [0,1,1,0,0,0|2,0,0]=4 449 B17R2.40403 CC(O)CSc1cc(c2ccccc2n1)N 62a_100010197925_100011218427 [0,1,1,0,0,0|1,0,0]=3 450 B17R2.40403 CC(O)CSc1nc(c2ccccc2n1)N 62a_100000690328_100011218427 [0,1,1,0,0,0|2,0,0]=4 451 B17R2.40403 C[C@@H](O)CSc1cc(c2ccccc2c1)N 62a_100009817552_100010171453 [0,1,1,0,0,0|2,0,0]=4 452 B17R2.40403 C[C@@H](O)CSc1cc(c2ccccc2c1)N 62a_100010171453_100009817552 [0,1,1,0,0,0|2,0,0]=4 453 B17R2.40403 C[C@@H](O)CSc1cc(c2ccccc2n1)N 62a_100010197925_100009817552 [0,1,1,0,0,0|1,0,0]=3 454 B17R2.40403 C[C@@H](O)CSc1nc(c2ccccc2n1)N 62a_100000690328_100009817552 [0,1,1,0,0,0|2,0,0]=4 455 B17R2.40403 Cc1cc(nc2c1cccc2)NCC(C)C 27a_100000210953_100000184993 [0,1,1,0,0,0|2,0,0]=4 456 B17R2.40403 Cc1cc(nc2c1cccc2)NCC(C)O 27a_100000210904_100000184993 [0,1,1,0,0,0|2,0,0]=4 457 B17R2.40403 Cc1cc(nc2c1cccc2)SCC(C)C 62a_100000210624_100000184993 [0,1,1,0,0,0|2,0,0]=4 458 B17R2.40403 Cc1cc(nc2c1cccc2)SCC(C)C 62a_100012354972_100000210760 [0,1,1,0,0,0|2,0,0]=4 459 B17R2.40403 Cc1cc(nc2c1cccc2)SCC(C)O 62a_100011218427_100000184993 [0,1,1,0,0,0|2,0,0]=4 460 B17R2.40403 Cc1cc(nc2c1cccc2)SCC(C)O 62a_100012354972_100011218427 [0,1,1,0,0,0|2,0,0]=4 461 B17R2.40403 Cc1cc(nc2c1cccc2)SC[C@@H](C)O 62a_100009817552_100000184993 [0,1,1,0,0,0|2,0,0]=4 462 B17R2.40403 Cc1cc(nc2c1cccc2)SC[C@@H](C)O 62a_100012354972_100009817552 [0,1,1,0,0,0|2,0,0]=4 463 B17R2.40403 Nc1cc(nc2c1cccc2)SCC(F)F 62a_100010197925_100011934356 [0,1,1,0,0,0|2,0,0]=4 464 B17R2.49938 CCCN(C)c1cc(c2ccccc2n1)C 27a_100000747261_100000184993 [0,1,1,0,0,0|2,0,0]=4 465 B17R2.49938 CCCN(C)c1nc(c2ccccc2n1)N 27a_100000747261_100000690328 [0,1,1,0,0,0|2,0,0]=4 466 B17R2.56288 CCCCc1cc(c2ccc(cc2n1)N)C 271570a_100020621405_100000103534 [0,1,1,0,0,0|1,0,0]=3 467 B17R2.56288 CCCSc1cc(c2ccc(cc2n1)N)C 62a_100000210303_100000103534 [0,1,1,0,0,0|2,0,0]=4 468 B17R2.56295 CCCCc1cc(=O)n2cc(ccc2n1)F 271570a_100020621405_100015492560 [0,1,1,0,0,0|2,0,0]=4 469 B17R2.56295 CCCCc1cc(c2cc(ccc2c1)O)F 271570a_100020621405_100010201084 [0,1,1,0,0,0|2,0,0]=4 470 B17R2.56295 CCCCc1cc(c2cc(ccc2n1)F)C 271570a_100020621405_200000079853 [0,1,1,0,0,0|1,0,0]=3 471 B17R2.56295 CCCSc1cc(c2cc(ccc2n1)F)C 62a_100000210303_200000079853 [0,1,1,0,0,0|2,0,0]=4 472 B17R2.56295 CCCSc1cc(c2cc(ccc2n1)F)C 62a_200000079853_100000210303 [0,1,1,0,0,0|2,0,0]=4 473 B17R2.56335 CCCCc1cc(c2cccc(c2n1)C)C 271570a_100020621405_100000008058 [0,1,1,0,0,0|1,0,0]=3 474 B17R2.56335 CCCSc1cc(c2cccc(c2n1)C)C 62a_100000008058_100000210303 [0,1,1,0,0,0|2,0,0]=4 475 B17R2.56335 CCCSc1cc(c2cccc(c2n1)C)C 62a_100000210303_100000008058 [0,1,1,0,0,0|2,0,0]=4 476 B17R2.56354 CCCCc1nc2ccccc2c(=O)n1C 271570a_100020621405_200000215938 [0,1,1,0,0,0|2,0,0]=4 477 B17R2.57534 CCC(C)Sc1cc(c2ccccc2c1)N 62a_100000758301_100010171453 [0,1,1,0,0,0|2,0,0]=4 478 B17R2.57534 CCC(C)Sc1cc(c2ccccc2c1)N 62a_100010171453_100000758301 [0,1,1,0,0,0|2,0,0]=4 479 B17R2.57534 CCC(C)Sc1cc(c2ccccc2n1)C 62a_100000758301_100000184993 [0,1,1,0,0,0|2,0,0]=4 480 B17R2.57534 CCC(C)Sc1cc(c2ccccc2n1)C 62a_100012354972_100000758301 [0,1,1,0,0,0|2,0,0]=4 481 B17R2.57534 CCC(C)Sc1cc(c2ccccc2n1)N 62a_100010197925_100000758301 [0,1,1,0,0,0|1,0,0]=3 482 B17R2.57534 CCC(C)Sc1nc(c2ccccc2n1)N 62a_100000690328_100000758301 [0,1,1,0,0,0|2,0,0]=4 483 B17R2.57534 COC(C)Sc1cc(c2ccccc2n1)N 62a_100010197925_100009879195 [0,1,1,0,0,0|2,0,0]=4 484 B17R2.57534 C[C@H](CO)Sc1cc(c2ccccc2n1)N 62a_100010197925_100016084084 [0,1,1,0,0,0|2,0,0]=4 485 B17R2.2708 C#CCCSc1cnc2ccccc2c1N 62a_100000688953_100009995562 [0,1,1,0,0,0|0,0,2]=4 486 B17R2.2708 C#CCCSc1cnc2ccccc2c1N 62a_100009995562_100000688953 [0,1,1,0,0,0|0,0,2]=4 487 B17R2.2708 C/C=C/CSc1cnc2ccccc2c1N 62a_100009995562_100102629194 [0,1,1,0,0,0|0,0,2]=4 488 B17R2.2708 C/C=C/CSc1cnc2ccccc2c1N 62a_100102629194_100009995562 [0,1,1,0,0,0|0,0,2]=4 489 B17R2.2708 C=CCCSc1cnc2ccccc2c1N 62a_100000754431_100009995562 [0,1,1,0,0,0|0,0,2]=4 490 B17R2.2708 C=CCCSc1cnc2ccccc2c1N 62a_100009995562_100000754431 [0,1,1,0,0,0|0,0,2]=4 491 B17R2.2708 CC#CCSc1cnc2ccccc2c1N 62a_100000748600_100009995562 [0,1,1,0,0,0|0,0,2]=4 492 B17R2.2708 CC#CCSc1cnc2ccccc2c1N 62a_100009995562_100000748600 [0,1,1,0,0,0|0,0,2]=4 493 B17R2.2708 CC=CCSc1cnc2ccccc2c1N 62a_100000070051_100009995562 [0,1,1,0,0,0|0,0,2]=4 494 B17R2.2708 CC=CCSc1cnc2ccccc2c1N 62a_100009995562_100000070051 [0,1,1,0,0,0|0,0,2]=4 495 B17R2.2708 CCCC=Cc1ccc2ccccc2c1N 271570a_100016258520_100009817101 [0,1,1,0,0,0|1,0,1]=4 496 B17R2.2708 CCCC=Cc1cnc2ccccc2c1Cl 271570a_100016258520_100012352519 [0,1,1,0,0,0|1,0,1]=4 497 B17R2.2708 CCCC=Cc1cnc2ccccc2c1N 271570a_100016258520_100009995562 [0,1,1,0,0,0|0,0,1]=3 498 B17R2.2708 CCCCNc1ccc2ccccc2c1Br 34a_100000705303_100000210210 [0,1,1,0,0,0|2,0,0]=4 499 B17R2.2708 CCCCNc1ccc2ccccc2c1Cl 34a_100000075557_100000210210 [0,1,1,0,0,0|2,0,0]=4 500 B17R2.2708 CCCCNc1ccc2ccccc2c1O 34a_100000007060_100000210210 [0,1,1,0,0,0|2,0,0]=4 501 B17R2.2708 CCCCOc1ccc2ccccc2c1Br 34a_100000183829_100000210210 [0,1,1,0,0,0|2,0,0]=4 502 B17R2.2708 CCCCOc1ccc2ccccc2c1Br 7a_100000183829_100000210211 [0,1,1,0,0,0|2,0,0]=4 503 B17R2.2708 CCCCOc1ccc2ccccc2c1C 34a_100009830054_100000210210 [0,1,1,0,0,0|2,0,0]=4 504 B17R2.2708 CCCCOc1ccc2ccccc2c1C 7a_100009830054_100000210211 [0,1,1,0,0,0|2,0,0]=4 505 B17R2.2708 CCCCOc1ccc2ccccc2c1Cl 34a_100000029778_100000210210 [0,1,1,0,0,0|2,0,0]=4 506 B17R2.2708 CCCCOc1ccc2ccccc2c1Cl 7a_100000029778_100000210211 [0,1,1,0,0,0|2,0,0]=4 507 B17R2.2708 CCCCOc1ccc2ccccc2c1I 34a_100000041551_100000210210 [0,1,1,0,0,0|2,0,0]=4 508 B17R2.2708 CCCCOc1ccc2ccccc2c1I 7a_100000041551_100000210211 [0,1,1,0,0,0|2,0,0]=4 509 B17R2.2708 CCCCOc1ccc2ccccc2c1N 34a_100000007056_100000210210 [0,1,1,0,0,0|1,0,0]=3 510 B17R2.2708 CCCCOc1ccc2ccccc2c1N 7a_100000007056_100000210211 [0,1,1,0,0,0|1,0,0]=3 511 B17R2.2708 CCCCSc1c[nH]c2ccccc2c1=O 62a_100000210211_100012348052 [0,1,1,0,0,0|1,0,1]=4 512 B17R2.2708 CCCCSc1ccc2ccccc2c1F 62a_100000210211_100009832041 [0,1,1,0,0,0|2,0,0]=4 513 B17R2.2708 CCCCSc1ccc2ccccc2c1F 62a_100009832041_100000210210 [0,1,1,0,0,0|2,0,0]=4 514 B17R2.2708 CCCCSc1ccc2ccccc2c1N 62a_100009817101_100000210210 [0,1,1,0,0,0|1,0,0]=3 515 B17R2.2708 CCCCSc1ccc2ccccc2c1O 62a_100000210211_100009996032 [0,1,1,0,0,0|2,0,0]=4 516 B17R2.2708 CCCCSc1ccc2cnccc2c1N 62a_100000210211_100010191621 [0,1,1,0,0,0|2,0,0]=4 517 B17R2.2708 CCCCSc1ccc2cnccc2c1N 62a_100010191621_100000210210 [0,1,1,0,0,0|2,0,0]=4 518 B17R2.2708 CCCCSc1ccc2ncccc2c1N 62a_200010235790_100000210210 [0,1,1,0,0,0|2,0,0]=4 519 B17R2.2708 CCCCSc1cnc2ccccc2c1Cl 62a_100000210211_100012352519 [0,1,1,0,0,0|1,0,0]=3 520 B17R2.2708 CCCCSc1cnc2ccccc2c1N 62a_100000210211_100009995562 [0,1,1,0,0,0|0,0,0]=2 521 B17R2.2708 CCCCSc1cnc2ccccc2c1N 62a_100009995562_100000210210 [0,1,1,0,0,0|0,0,0]=2 522 B17R2.2708 CCCCSc1coc2ccccc2c1=O 62a_100000210211_100009813851 [0,1,1,0,0,0|2,0,0]=4 523 B17R2.2708 CCCCSc1ncc2ccccc2c1N 62a_100000210211_100000087573 [0,1,1,0,0,0|2,0,0]=4 524 B17R2.2708 CCCCSc1ncc2ccccc2c1N 62a_100009995564_100000210210 [0,1,1,0,0,0|2,0,0]=4 525 B17R2.2708 CCCCSc1nnc2ccccc2c1O 62a_100000210211_100000688347 [0,1,1,0,0,0|2,0,0]=4 526 B17R2.2708 CCCNCc1ccc2ccccc2c1Br 207a_100020643023_100009813496 [0,1,1,0,0,0|2,0,0]=4 527 B17R2.2708 CCCNCc1ccc2ccccc2c1Br 270004a_100020643023_100009813496 [0,1,1,0,0,0|2,0,0]=4 528 B17R2.2708 CCCNCc1cnc2ccccc2c1Cl 270004a_100020643023_100000037458 [0,1,1,0,0,0|1,0,0]=3 529 B17R2.2708 CCCNCc1coc2ccccc2c1=O 270004a_100020643023_100000195500 [0,1,1,0,0,0|2,0,0]=4 530 B17R2.2708 CCCOCc1ccc2ccccc2c1Br 34a_100000210258_100009813938 [0,1,1,0,0,0|2,0,0]=4 531 B17R2.2708 CCNCCn1cnc2ccccc2c1=O 2230a_100015525214_200000757059 [0,1,1,0,0,0|2,0,0]=4 532 B17R2.2708 CCOC=Cc1cnc2ccccc2c1N 271570a_100016256518_100009995562 [0,1,1,0,0,0|0,0,2]=4 533 B17R2.2708 CCOCCn1cnc2ccccc2c1=O 34a_100121572206_200000757059 [0,1,1,0,0,0|2,0,0]=4 534 B17R2.2708 CCOCSc1ccc2ccccc2c1N 62a_100009817101_100000739092 [0,1,1,0,0,0|2,0,0]=4 535 B17R2.2708 CCOCSc1cnc2ccccc2c1Cl 62a_100000739092_100012352519 [0,1,1,0,0,0|2,0,0]=4 536 B17R2.2708 CCOCSc1cnc2ccccc2c1N 62a_100000739092_100009995562 [0,1,1,0,0,0|1,0,0]=3 537 B17R2.2708 CCOCSc1cnc2ccccc2c1N 62a_100009995562_100000739092 [0,1,1,0,0,0|1,0,0]=3 538 B17R2.2708 CCSCCn1cnc2ccccc2c1=O 62a_100000210202_200000757059 [0,1,1,0,0,0|2,0,0]=4 539 B17R2.2708 CCSCCn1cnc2ccccc2c1=O 62a_200000757059_100000210202 [0,1,1,0,0,0|2,0,0]=4 540 B17R2.2708 COCC=Cc1cnc2ccccc2c1N 271570a_100016286323_100009995562 [0,1,1,0,0,0|0,0,2]=4 541 B17R2.2708 COCCOc1ccc2ccccc2c1N 34a_100000007056_100011201679 [0,1,1,0,0,0|2,0,0]=4 542 B17R2.2708 COCCOc1ccc2ccccc2c1N 7a_100000007056_100000233755 [0,1,1,0,0,0|2,0,0]=4 543 B17R2.2708 COCCSc1ccc2ccccc2c1N 62a_100009817101_100000233755 [0,1,1,0,0,0|2,0,0]=4 544 B17R2.2708 COCCSc1cnc2ccccc2c1Cl 62a_100000233755_100012352519 [0,1,1,0,0,0|2,0,0]=4 545 B17R2.2708 COCCSc1cnc2ccccc2c1N 62a_100000233755_100009995562 [0,1,1,0,0,0|1,0,0]=3 546 B17R2.2708 COCCSc1cnc2ccccc2c1N 62a_100009995562_100000233755 [0,1,1,0,0,0|1,0,0]=3 547 B17R2.2708 CSCCOc1ccc2ccccc2c1N 34a_100000007056_100000212216 [0,1,1,0,0,0|2,0,0]=4 548 B17R2.2708 CSCCOc1ccc2ccccc2c1N 7a_100000007056_100000212216 [0,1,1,0,0,0|2,0,0]=4 549 B17R2.2708 CSCCSc1ccc2ccccc2c1N 62a_100009817101_100000751147 [0,1,1,0,0,0|2,0,0]=4 550 B17R2.2708 CSCCSc1cnc2ccccc2c1Cl 62a_100000212216_100012352519 [0,1,1,0,0,0|2,0,0]=4 551 B17R2.2708 CSCCSc1cnc2ccccc2c1N 62a_100000212216_100009995562 [0,1,1,0,0,0|1,0,0]=3 552 B17R2.2708 CSCCSc1cnc2ccccc2c1N 62a_100009995562_100000751147 [0,1,1,0,0,0|1,0,0]=3 553 B17R2.2708 FCCCSc1cnc2ccccc2c1Cl 62a_100011934791_100012352519 [0,1,1,0,0,0|2,0,0]=4 554 B17R2.2708 N#CCCSc1cnc2ccccc2c1N 62a_100009995562_100011215226 [0,1,1,0,0,0|1,0,1]=4 555 B17R2.2708 N#CCCSc1cnc2ccccc2c1N 62a_100011215226_100009995562 [0,1,1,0,0,0|1,0,1]=4 556 B17R2.2708 Nc1c(ccc2c1cccc2)OCCCF 34a_100000007056_100011934791 [0,1,1,0,0,0|2,0,0]=4 557 B17R2.2708 Nc1c(ccc2c1cccc2)OCCCF 7a_100000007056_100011934791 [0,1,1,0,0,0|2,0,0]=4 558 B17R2.2708 Nc1c(ccc2c1cccc2)OCCCO 34a_100000007056_100000230001 [0,1,1,0,0,0|2,0,0]=4 559 B17R2.2708 Nc1c(ccc2c1cccc2)OCCCO 7a_100000007056_100011215043 [0,1,1,0,0,0|2,0,0]=4 560 B17R2.2708 Nc1c(ccc2c1cccc2)SCCCF 62a_100009817101_100011934791 [0,1,1,0,0,0|2,0,0]=4 561 B17R2.2708 Nc1c(ccc2c1cccc2)SCCCO 62a_100009817101_100011215043 [0,1,1,0,0,0|2,0,0]=4 562 B17R2.2708 Nc1c(cnc2c1cccc2)SCCCF 62a_100009995562_100011934791 [0,1,1,0,0,0|1,0,0]=3 563 B17R2.2708 Nc1c(cnc2c1cccc2)SCCCF 62a_100011934791_100009995562 [0,1,1,0,0,0|1,0,0]=3 564 B17R2.2708 Nc1c(cnc2c1cccc2)SCCCO 62a_100009995562_100011215043 [0,1,1,0,0,0|1,0,0]=3 565 B17R2.2708 Nc1c(cnc2c1cccc2)SCCCO 62a_100011215043_100009995562 [0,1,1,0,0,0|1,0,0]=3 566 B17R2.2708 OCCCSc1cnc2ccccc2c1Cl 62a_100011215043_100012352519 [0,1,1,0,0,0|2,0,0]=4 567 B17R2.2708 OCCNCc1cnc2ccccc2c1Cl 270004a_100000210304_100000037458 [0,1,1,0,0,0|2,0,0]=4 568 B17R2.7413 CC(CO)Sc1cnc2ccccc2c1N 62a_100012180447_100009995562 [0,1,1,0,0,0|2,0,0]=4 569 B17R2.7413 CCC(C)Oc1ccc2ccccc2c1N 34a_100000007056_100011215416 [0,1,1,0,0,0|2,0,0]=4 570 B17R2.7413 CCC(C)Oc1ccc2ccccc2c1N 7a_100000007056_100000758301 [0,1,1,0,0,0|2,0,0]=4 571 B17R2.7413 CCC(C)Sc1ccc2ccccc2c1N 62a_100009817101_100000758301 [0,1,1,0,0,0|2,0,0]=4 572 B17R2.7413 CCC(C)Sc1cnc2ccccc2c1Cl 62a_100000758301_100012352519 [0,1,1,0,0,0|2,0,0]=4 573 B17R2.7413 CCC(C)Sc1cnc2ccccc2c1N 62a_100000758301_100009995562 [0,1,1,0,0,0|1,0,0]=3 574 B17R2.7413 CCC(C)Sc1cnc2ccccc2c1N 62a_100009995562_100000758301 [0,1,1,0,0,0|1,0,0]=3 575 B17R2.7413 COC(C)Sc1cnc2ccccc2c1N 62a_100009879195_100009995562 [0,1,1,0,0,0|2,0,0]=4 576 B17R2.7413 COC(C)Sc1cnc2ccccc2c1N 62a_100009995562_100009879195 [0,1,1,0,0,0|2,0,0]=4 577 B17R2.7413 C[C@H](CO)Sc1cnc2ccccc2c1N 62a_100009995562_100016084084 [0,1,1,0,0,0|2,0,0]=4 578 B17R2.7413 C[C@H](CO)Sc1cnc2ccccc2c1N 62a_100016084084_100009995562 [0,1,1,0,0,0|2,0,0]=4 579 B17R2.17960 CCCCc1c(nc2ccccc2c1C)O 271570a_100020621405_100009820873 [0,1,1,0,0,0|1,0,0]=3 580 B17R2.17960 CCCSc1c(nc2ccccc2c1C)O 62a_100000210303_100009820873 [0,1,1,0,0,0|2,0,0]=4 581 B17R2.59603 CCCCc1c[nH]c2ccc(cc2c1=O)Br 271570a_100020621405_100012348040 [0,1,1,0,0,0|1,0,1]=4 582 B17R2.59603 CCCCc1coc2ccc(cc2c1=O)C 271570a_100020621405_200010005421 [0,1,1,0,0,0|2,0,0]=4 583 B17R2.59603 CCCCc1coc2ccc(cc2c1=O)Cl 271570a_100020621405_200010204847 [0,1,1,0,0,0|2,0,0]=4 584 B17R2.59603 CCCCc1coc2ccc(cc2c1=O)F 271570a_100020621405_200009813772 [0,1,1,0,0,0|2,0,0]=4 585 B17R2.59635 CCCCc1ccc2ccccc2c1C=O 271570a_100020621405_100010090029 [0,1,1,0,0,0|2,0,0]=4 586 B17R2.59635 CCCCc1ccc2ccccc2c1OC 271570a_100020621405_100010089960 [0,1,1,0,0,0|2,0,0]=4 587 B17R2.59635 CCCOc1cnc2ccccc2c1C#N 7a_100009853984_100000210303 [0,1,1,0,0,0|1,0,1]=4 588 B17R2.153719 CCCCc1c[nH]c2c(cccc2c1=O)F 271570a_100020621405_100012351745 [0,1,1,0,0,0|1,0,1]=4 589 B17R2.155580 C=C(C)CSc1cnc2ccccc2c1N 62a_100000748629_100009995562 [0,1,1,0,0,0|1,0,1]=4 590 B17R2.155580 C=C(C)CSc1cnc2ccccc2c1N 62a_100009995562_100000211660 [0,1,1,0,0,0|1,0,1]=4 591 B17R2.155580 CC(C)C=Cc1cnc2ccccc2c1N 271570a_100016257149_100009995562 [0,1,1,0,0,0|0,0,2]=4 592 B17R2.155580 CC(C)COc1ccc2ccccc2c1N 34a_100000007056_100000210624 [0,1,1,0,0,0|2,0,0]=4 593 B17R2.155580 CC(C)COc1ccc2ccccc2c1N 7a_100000007056_100000210760 [0,1,1,0,0,0|2,0,0]=4 594 B17R2.155580 CC(C)CSc1ccc2ccccc2c1N 62a_100009817101_100000210760 [0,1,1,0,0,0|2,0,0]=4 595 B17R2.155580 CC(C)CSc1cnc2ccccc2c1Cl 62a_100000210624_100012352519 [0,1,1,0,0,0|2,0,0]=4 596 B17R2.155580 CC(C)CSc1cnc2ccccc2c1N 62a_100000210624_100009995562 [0,1,1,0,0,0|1,0,0]=3 597 B17R2.155580 CC(C)CSc1cnc2ccccc2c1N 62a_100009995562_100000210760 [0,1,1,0,0,0|1,0,0]=3 598 B17R2.155580 CC(O)C=Cc1cnc2ccccc2c1N 271570a_200011019289_100009995562 [0,1,1,0,0,0|0,0,2]=4 599 B17R2.155580 CC(O)COc1ccc2ccccc2c1N 34a_100000007056_100011218427 [0,1,1,0,0,0|2,0,0]=4 600 B17R2.155580 CC(O)COc1ccc2ccccc2c1N 7a_100000007056_100011218427 [0,1,1,0,0,0|2,0,0]=4 601 B17R2.155580 CC(O)CSc1ccc2ccccc2c1N 62a_100009817101_100011218427 [0,1,1,0,0,0|2,0,0]=4 602 B17R2.155580 CC(O)CSc1cnc2ccccc2c1Cl 62a_100011218427_100012352519 [0,1,1,0,0,0|2,0,0]=4 603 B17R2.155580 CC(O)CSc1cnc2ccccc2c1N 62a_100009995562_100011218427 [0,1,1,0,0,0|1,0,0]=3 604 B17R2.155580 CC(O)CSc1cnc2ccccc2c1N 62a_100011218427_100009995562 [0,1,1,0,0,0|1,0,0]=3 605 B17R2.155580 C[C@@H](O)COc1ccc2ccccc2c1N 34a_100000007056_100009817552 [0,1,1,0,0,0|2,0,0]=4 606 B17R2.155580 C[C@@H](O)COc1ccc2ccccc2c1N 7a_100000007056_100009817552 [0,1,1,0,0,0|2,0,0]=4 607 B17R2.155580 C[C@@H](O)CSc1ccc2ccccc2c1N 62a_100009817101_100009817552 [0,1,1,0,0,0|2,0,0]=4 608 B17R2.155580 C[C@@H](O)CSc1cnc2ccccc2c1Cl 62a_100009817552_100012352519 [0,1,1,0,0,0|2,0,0]=4 609 B17R2.155580 C[C@@H](O)CSc1cnc2ccccc2c1N 62a_100009817552_100009995562 [0,1,1,0,0,0|1,0,0]=3 610 B17R2.155580 C[C@@H](O)CSc1cnc2ccccc2c1N 62a_100009995562_100009817552 [0,1,1,0,0,0|1,0,0]=3 611 B17R2.155580 Nc1c(cnc2c1cccc2)SCC(F)F 62a_100009995562_100011934356 [0,1,1,0,0,0|2,0,0]=4 612 B17R2.155580 Nc1c(cnc2c1cccc2)SCC(F)F 62a_100011934356_100009995562 [0,1,1,0,0,0|2,0,0]=4 613 B17R2.39114 CC(=O)Cc1c(nc2ccccc2c1C)C 1458a_100000683000_200000210301 [0,1,1,0,0,0|1,0,1]=4 614 B17R2.39114 Cc1nc2ccccc2c(c1CC(=O)[13CH3])C 1458a_100000683000_200025704644 [0,1,1,0,0,0|1,0,1]=4 615 B17R3.8600 C=Cc1c2c(nc3c1cccc3)CCC2 271570a_100011290941_100011467374 [0,1,0,0,1,0|1,0,0]=3 616 B17R3.8600 CNc1c2c(nc3c1cccc3)CCC2 27a_100102657272_100011467374 [0,1,0,0,1,0|0,0,0]=2 617 B17R3.8600 CSc1c2c(nc3c1cccc3)CCC2 62a_100011467374_200000210301 [0,1,0,0,1,0|1,0,0]=3 618 B17R3.8600 CSc1c2c(nc3c1cccc3)CCC2 62a_200000210301_100011467374 [0,1,0,0,1,0|1,0,0]=3 619 B17R3.8600 [13CH3]Sc1c2c(nc3c1cccc3)CCC2 62a_100011467374_200025704644 [0,1,0,0,1,0|1,0,0]=3 620 B17R3.8600 [13CH3]Sc1c2c(nc3c1cccc3)CCC2 62a_200025704644_100011467374 [0,1,0,0,1,0|1,0,0]=3 621 B19R3.1757536 C=Cc1c2c(nc3c1cc(cc3)C)CCCC2 271570a_100011290941_100011467581 [0,2,0,0,0,0|1,0,0]=3 622 B19R3.1757536 C=Cc1c2c(nc3c1cc(cc3)F)CCCC2 271570a_100011290941_100011467583 [0,2,0,0,0,0|1,0,0]=3 623 B19R3.1757536 CNc1c2c(nc3c1cc(cc3)C)CCCC2 27a_100102657272_100011467581 [0,2,0,0,0,0|0,0,0]=2 624 B19R3.1757536 CNc1c2c(nc3c1cc(cc3)F)CCCC2 27a_100102657272_100011467583 [0,2,0,0,0,0|0,0,0]=2 625 B19R3.1757536 CSc1c2c(nc3c1cc(cc3)C)CCCC2 62a_100011467581_200000210301 [0,2,0,0,0,0|1,0,0]=3 626 B19R3.1757536 CSc1c2c(nc3c1cc(cc3)C)CCCC2 62a_200000210301_100011467581 [0,2,0,0,0,0|1,0,0]=3 627 B19R3.1757536 CSc1c2c(nc3c1cc(cc3)F)CCCC2 62a_100011467583_200000210301 [0,2,0,0,0,0|1,0,0]=3 628 B19R3.1757536 CSc1c2c(nc3c1cc(cc3)F)CCCC2 62a_200000210301_100011467583 [0,2,0,0,0,0|1,0,0]=3 629 B19R3.1757536 Cc1ccc2nc3c(c(c2c1)S[13CH3])CCCC3 62a_100011467581_200025704644 [0,2,0,0,0,0|1,0,0]=3 630 B19R3.1757536 Cc1ccc2nc3c(c(c2c1)S[13CH3])CCCC3 62a_200025704644_100011467581 [0,2,0,0,0,0|1,0,0]=3 631 B19R3.1757536 [13CH3]Sc1c2c(nc3c1cc(cc3)F)CCCC2 62a_100011467583_200025704644 [0,2,0,0,0,0|1,0,0]=3 632 B19R3.1757536 [13CH3]Sc1c2c(nc3c1cc(cc3)F)CCCC2 62a_200025704644_100011467583 [0,2,0,0,0,0|1,0,0]=3 633 B19R3.109688 C=C=Cc1c2c(nc3c1cccc3)CCCC2 271570a_100015277604_100000187660 [0,2,0,0,0,0|1,0,0]=3 634 B19R3.109688 CC=Cc1c2c(nc3c1cccc3)CCCC2 271570a_100016259895_100000187660 [0,2,0,0,0,0|1,0,0]=3 635 B19R3.109688 CCSc1c2c(nc3c1cccc3)CCCC2 62a_100000187660_100000210202 [0,2,0,0,0,0|1,0,0]=3 636 B19R3.109688 CCSc1c2c(nc3c1cccc3)CCCC2 62a_100000210202_100000187660 [0,2,0,0,0,0|1,0,0]=3 637 B19R3.109688 FCSc1c2c(nc3c1cccc3)CCCC2 62a_100000187660_100015361967 [0,2,0,0,0,0|1,0,0]=3 638 B19R3.109688 FCSc1c2c(nc3c1cccc3)CCCC2 62a_100015361967_100000187660 [0,2,0,0,0,0|1,0,0]=3 639 B19R3.629728 C=C(C)c1c2c(nc3c1cccc3)CCCC2 271570a_100000694244_100000187660 [0,2,0,0,0,0|1,0,0]=3 640 B15R1.115 CCCCC(=O)C=C(C)c1ccccc1 1458a_100000743005_100000210211 [0,0,2,0,0,0|2,0,0]=4 641 B15R1.241 CCCCC=Cc1ccccc1C(=O)N 271570a_100016275911_100000162227 [0,0,2,0,0,0|2,0,0]=4 642 B17R3.57474 Cc1cc(nc2c1cccc2)N3CCC3 27a_100000754969_100000184993 [0,0,1,1,0,0|2,0,0]=4 643 B17R3.57474 Nc1nc(nc2c1cccc2)N3CCC3 27a_100000754969_100000690328 [0,0,1,1,0,0|2,0,0]=4 644 B17R3.57475 Cc1cc(nc2c1cccc2)NC3CC3 27a_100000212008_100000184993 [0,0,1,1,0,0|2,0,0]=4 645 B17R3.57475 Cc1cc(nc2c1cccc2)SC3CC3 62a_100012354972_100000211595 [0,0,1,1,0,0|2,0,0]=4 646 B17R3.57475 Nc1cc(cc2c1cccc2)SC3CC3 62a_100010171453_100000211595 [0,0,1,1,0,0|2,0,0]=4 647 B17R3.57475 Nc1cc(nc2c1cccc2)SC3CC3 62a_100010197925_100000211595 [0,0,1,1,0,0|1,0,0]=3 648 B17R3.57475 Nc1nc(nc2c1cccc2)NC3CC3 27a_100000212008_100000690328 [0,0,1,1,0,0|2,0,0]=4 649 B17R3.57475 Nc1nc(nc2c1cccc2)SC3CC3 62a_100000690328_100000211595 [0,0,1,1,0,0|2,0,0]=4 650 B17R3.209177 Nc1c(ccc2c1cccc2)OC3CC3 34a_100000007056_100000211595 [0,0,1,1,0,0|2,0,0]=4 651 B17R3.209177 Nc1c(ccc2c1cccc2)SC3CC3 62a_100009817101_100000211595 [0,0,1,1,0,0|2,0,0]=4 652 B17R3.209177 Nc1c(cnc2c1cccc2)SC3CC3 62a_100009995562_100000211595 [0,0,1,1,0,0|1,0,0]=3 653 B17R3.52864 Cc1c(c(nc2c1cccc2)O)C3CC3 271570a_100011220607_100009820873 [0,0,1,1,0,0|2,0,0]=4 654 B17R3.751943 Cn1c(nc2ccccc2c1=O)C3CC3 271570a_100011220607_200000215938 [0,0,1,1,0,0|2,0,0]=4 655 B15R2.21 CCc1ccccc1C2=CCCCC2 271570a_100000062251_100011215823 [0,0,1,0,1,0|1,0,1]=4 656 B15R2.21 CNc1ccccc1C2=CCCCC2 271570a_100000062251_100020606079 [0,0,1,0,1,0|2,0,0]=4 657 B15R2.21 COc1ccccc1C2=CCCCC2 271570a_100000062251_100000174000 [0,0,1,0,1,0|2,0,0]=4 658 B15R2.21 CSc1ccccc1C2=CCCCC2 271570a_100000062251_100011217816 [0,0,1,0,1,0|2,0,0]=4 659 B15R2.21 N#Cc1ccccc1C2=CCCCC2 271570a_100000062251_100000188569 [0,0,1,0,1,0|0,0,2]=4 660 B15R2.21 NCc1ccccc1C2=CCCCC2 271570a_100000062251_100000689332 [0,0,1,0,1,0|0,0,1]=3 661 B15R2.21 NCc1ccccc1C2=CCCCO2 271570a_100010177797_100000689332 [0,0,1,0,1,0|1,0,1]=4 662 B15R2.21 NCc1ccccc1C2=CCNCC2 271570a_100000731432_100000689332 [0,0,1,0,1,0|1,0,1]=4 663 B15R2.21 NCc1ccccc1C2=CCOCC2 271570a_100000070234_100000689332 [0,0,1,0,1,0|1,0,1]=4 664 B15R2.21 NCc1ccccc1C2=CCSCC2 271570a_100010232141_100000689332 [0,0,1,0,1,0|1,0,1]=4 665 B15R2.21 NCc1ccccc1C2=COCCC2 271570a_100010175576_100000689332 [0,0,1,0,1,0|1,0,1]=4 666 B15R2.21 NCc1cccnc1C2=CCCCC2 271570a_100000062251_100015189234 [0,0,1,0,1,0|1,0,1]=4 667 B15R2.21 NCc1ccncc1C2=CCCCC2 271570a_100000062251_100020640021 [0,0,1,0,1,0|1,0,1]=4 668 B15R2.21 NCc1ncccc1C2=CCCCC2 271570a_100000062251_100020591323 [0,0,1,0,1,0|1,0,1]=4 669 B15R2.21 NNc1ccccc1C2=CCCCC2 271570a_100000062251_100000241748 [0,0,1,0,1,0|1,0,0]=3 670 B15R2.21 NNc1ccccc1C2=CCCCO2 271570a_100010177797_100000241748 [0,0,1,0,1,0|2,0,0]=4 671 B15R2.21 NNc1ccccc1C2=CCNCC2 271570a_100000731432_100000241748 [0,0,1,0,1,0|2,0,0]=4 672 B15R2.21 NNc1ccccc1C2=CCOCC2 271570a_100000070234_100000241748 [0,0,1,0,1,0|2,0,0]=4 673 B15R2.21 NNc1ccccc1C2=CCSCC2 271570a_100010232141_100000241748 [0,0,1,0,1,0|2,0,0]=4 674 B15R2.21 NNc1ccccc1C2=COCCC2 271570a_100010175576_100000241748 [0,0,1,0,1,0|2,0,0]=4 675 B15R2.21 NNc1ccncc1C2=CCCCC2 271570a_100000062251_100013404636 [0,0,1,0,1,0|2,0,0]=4 676 B15R2.21 NNc1ncccc1C2=CCCCC2 271570a_100000062251_100011464834 [0,0,1,0,1,0|2,0,0]=4 677 B15R2.21 O=Cc1ccccc1C2=CCCCC2 271570a_100000062251_100000211189 [0,0,1,0,1,0|1,0,0]=3 678 B15R2.21 O=Cc1ccccc1C2=CCCCO2 271570a_100010177797_100000211189 [0,0,1,0,1,0|2,0,0]=4 679 B15R2.21 O=Cc1ccccc1C2=CCNCC2 271570a_100000731432_100000211189 [0,0,1,0,1,0|2,0,0]=4 680 B15R2.21 O=Cc1ccccc1C2=CCOCC2 271570a_100000070234_100000211189 [0,0,1,0,1,0|2,0,0]=4 681 B15R2.21 O=Cc1ccccc1C2=CCSCC2 271570a_100010232141_100000211189 [0,0,1,0,1,0|2,0,0]=4 682 B15R2.21 O=Cc1ccccc1C2=COCCC2 271570a_100010175576_100000211189 [0,0,1,0,1,0|2,0,0]=4 683 B15R2.21 O=Cc1cccnc1C2=CCCCC2 271570a_100000062251_100009816751 [0,0,1,0,1,0|2,0,0]=4 684 B15R2.21 O=Cc1ccncc1C2=CCCCC2 271570a_100000062251_100011934409 [0,0,1,0,1,0|2,0,0]=4 685 B15R2.21 O=Cc1cnccc1C2=CCCCC2 271570a_100000062251_100000050567 [0,0,1,0,1,0|2,0,0]=4 686 B15R2.21 O=Cc1ncccc1C2=CCCCC2 271570a_100000062251_100011934733 [0,0,1,0,1,0|2,0,0]=4 687 B15R2.21 OCc1ccccc1C2=CCCCC2 271570a_100000062251_100000187465 [0,0,1,0,1,0|1,0,1]=4 688 B15R2.123 NCc1ccccc1C=C2CCCC2 271570a_100010378317_100000689332 [0,0,1,0,1,0|1,0,1]=4 689 B15R2.123 NNc1ccccc1C=C2CCCC2 271570a_100010378317_100000241748 [0,0,1,0,1,0|2,0,0]=4 690 B15R2.123 O=Cc1ccccc1C=C2CCCC2 271570a_100010378317_100000211189 [0,0,1,0,1,0|2,0,0]=4 691 B15R2.89 CCCCc1nc2ccccc2n1C 271570a_100020621405_200000239431 [0,0,1,0,1,0|2,0,0]=4 692 B15R2.89 CCCCc1sc2ccccc2c1C 271570a_100020621405_200010198769 [0,0,1,0,1,0|2,0,0]=4 693 B15R2.1507 CCCCc1cc(c2[nH]ccc2c1)N 271570a_100020621405_100009813507 [0,0,1,0,1,0|2,0,0]=4 694 B15R2.1507 CCCCc1cc(c2cc[nH]c2c1)N 271570a_100020621405_106744500199 [0,0,1,0,1,0|2,0,0]=4 695 B15R2.1507 CCCCc1nc(c2sccc2n1)N 271570a_100020621405_100012002325 [0,0,1,0,1,0|2,0,0]=4 696 B15R2.1636 CCCCc1cnc2[nH]ccc2c1C 271570a_100020621405_100010254266 [0,0,1,0,1,0|2,0,0]=4 697 B15R2.1636 CCCCc1cnc2[nH]ccc2c1Cl 271570a_100020621405_100010219237 [0,0,1,0,1,0|2,0,0]=4 698 B15R2.1636 CCCCc1cnc2[nH]ccc2c1F 271570a_100020621405_100011012301 [0,0,1,0,1,0|2,0,0]=4 699 B15R2.1636 CCCCc1cnc2[nH]ccc2c1N 271570a_100020621405_100010168494 [0,0,1,0,1,0|1,0,0]=3 700 B15R2.1636 CCCSc1cnc2[nH]ccc2c1N 62a_100000210303_100010168494 [0,0,1,0,1,0|2,0,0]=4 701 B17R2.262 NCc1ccccc1C=CC2=CCCCC2 271570a_100000069214_100000689332 [0,0,1,0,0,1|1,0,1]=4 702 B17R2.262 NNc1ccccc1C=CC2=CCCCC2 271570a_100000069214_100000241748 [0,0,1,0,0,1|2,0,0]=4 703 B17R2.262 O=Cc1ccccc1C=CC2=CCCCC2 271570a_100000069214_100000211189 [0,0,1,0,0,1|2,0,0]=4 704 B17R2.3426 Cc1ccccc1CC(=O)C2=CCCCC2 1458a_100000765259_100000211839 [0,0,1,0,0,1|2,0,0]=4 705 B17R2.3426 Cc1ccccc1NC(=O)C2=CCCCC2 11a_100015192222_100000765259 [0,0,1,0,0,1|2,0,0]=4 706 B17R2.3426 Cc1ccccc1NC(=O)C2=CCCCC2 1626a_100015192222_100000765259 [0,0,1,0,0,1|2,0,0]=4 707 B17R2.3426 Cc1ccccc1NC(=O)C2=CCCCC2 22a_100015192222_100000765259 [0,0,1,0,0,1|2,0,0]=4 708 B17R2.3426 Cc1ccccc1NC(=O)C2=CCCCC2 527a_100015192222_100000765259 [0,0,1,0,0,1|2,0,0]=4 709 B17R2.3426 O=C(Cc1ccccc1Br)C2=CCCCC2 1458a_100000765259_100000184730 [0,0,1,0,0,1|2,0,0]=4 710 B17R2.3426 O=C(Cc1ccccc1Cl)C2=CCCCC2 1458a_100000765259_100000187162 [0,0,1,0,0,1|2,0,0]=4 711 B17R2.3426 O=C(Cc1ccccc1F)C2=CCCCC2 1458a_100000765259_100000187165 [0,0,1,0,0,1|2,0,0]=4 712 B17R2.3426 O=C(Cc1ccccc1I)C2=CCCCC2 1458a_100000765259_100011216222 [0,0,1,0,0,1|2,0,0]=4 713 B17R2.3426 O=C(Nc1ccccc1Br)C2=CCCCC2 11a_100000210017_100000765259 [0,0,1,0,0,1|2,0,0]=4 714 B17R2.3426 O=C(Nc1ccccc1Br)C2=CCCCC2 1626a_100000210017_100000765259 [0,0,1,0,0,1|2,0,0]=4 715 B17R2.3426 O=C(Nc1ccccc1Cl)C2=CCCCC2 11a_100000185783_100000765259 [0,0,1,0,0,1|2,0,0]=4 716 B17R2.3426 O=C(Nc1ccccc1Cl)C2=CCCCC2 1626a_100000185783_100000765259 [0,0,1,0,0,1|2,0,0]=4 717 B17R2.3426 O=C(Nc1ccccc1Cl)C2=CCCCC2 22a_100000185783_100000765259 [0,0,1,0,0,1|2,0,0]=4 718 B17R2.3426 O=C(Nc1ccccc1Cl)C2=CCCCC2 527a_100000185783_100000765259 [0,0,1,0,0,1|2,0,0]=4 719 B17R2.3426 O=C(Nc1ccccc1F)C2=CCCCC2 11a_100000210422_100000765259 [0,0,1,0,0,1|2,0,0]=4 720 B17R2.3426 O=C(Nc1ccccc1F)C2=CCCCC2 1626a_100000210422_100000765259 [0,0,1,0,0,1|2,0,0]=4 721 B17R2.3426 O=C(Nc1ccccc1F)C2=CCCCC2 22a_100000210422_100000765259 [0,0,1,0,0,1|2,0,0]=4 722 B17R2.3426 O=C(Nc1ccccc1F)C2=CCCCC2 527a_100000210422_100000765259 [0,0,1,0,0,1|2,0,0]=4 723 B17R2.3426 O=C(Nc1ccccc1I)C2=CCCCC2 11a_100000210053_100000765259 [0,0,1,0,0,1|2,0,0]=4 724 B17R2.3426 O=C(Nc1ccccc1I)C2=CCCCC2 1626a_100000210053_100000765259 [0,0,1,0,0,1|2,0,0]=4 725 B17R2.3426 O=C(Nc1ccccc1O)C2=CCCCC2 22a_100000185747_100000765259 [0,0,1,0,0,1|2,0,0]=4 726 B17R2.3426 O=C(Nc1ccccc1O)C2=CCCCC2 527a_100000185747_100000765259 [0,0,1,0,0,1|2,0,0]=4