0 B17R3.35227 Oc1c2ccccc2cc3c1cccc3 271570a_203496583355_100000185772 [0,0,0,0,0,0|2,0,0]=2 1 B17R3.35227 Oc1c2ccccc2nc3c1cccc3 271570a_203496583355_100000044299 [0,0,0,0,0,0|1,0,0]=1 2 B18R3.52086 O=c1c2ccccc2oc3c1cc(cc3)O 271570a_203496583355_100009992456 [0,1,0,0,0,0|2,0,0]=3 3 B18R3.52086 O=c1c2ccccc2sc3c1cc(cc3)O 271570a_203496583355_100009992697 [0,1,0,0,0,0|2,0,0]=3 4 B18R3.99697 O=c1c2ccccc2oc3c1ccc(c3)O 271570a_203496583355_200010272296 [0,1,0,0,0,0|2,0,0]=3 5 B18R3.99697 O=c1c2ccccc2sc3c1ccc(c3)O 271570a_203496583355_100036596064 [0,1,0,0,0,0|2,0,0]=3 6 B18R3.220425 C=Cc1c2ccccc2cc3c1cccc3 271570a_100011290941_100000185772 [0,1,0,0,0,0|2,0,0]=3 7 B18R3.220425 C=Cc1c2ccccc2nc3c1cccc3 271570a_100011290941_100000044299 [0,1,0,0,0,0|1,0,0]=2 8 B18R3.220425 CNC1c2ccccc2Oc3c1cccc3 2230a_200000704616_200000210301 [0,1,0,0,0,0|1,0,1]=3 9 B18R3.220425 CNc1c2ccccc2cc3c1cccc3 34a_100009882017_200000210301 [0,1,0,0,0,0|1,0,0]=2 10 B18R3.220425 COC1c2ccccc2Oc3c1cccc3 7a_100000210167_200000210301 [0,1,0,0,0,0|2,0,1]=4 11 B18R3.220425 CSc1c2ccccc2cc3c1cccc3 62a_200000210301_100000185772 [0,1,0,0,0,0|2,0,0]=3 12 B18R3.220425 CSc1c2ccccc2nc3c1cccc3 62a_100000044299_200000210301 [0,1,0,0,0,0|1,0,0]=2 13 B18R3.220425 [13CH3]NC1c2ccccc2Oc3c1cccc3 2230a_200000704616_200025704644 [0,1,0,0,0,0|1,0,1]=3 14 B18R3.220425 [13CH3]Nc1c2ccccc2cc3c1cccc3 34a_100009882017_200025704644 [0,1,0,0,0,0|1,0,0]=2 15 B18R3.220425 [13CH3]OC1c2ccccc2Oc3c1cccc3 7a_100000210167_200025704644 [0,1,0,0,0,0|2,0,1]=4 16 B18R3.220425 [13CH3]Sc1c2ccccc2cc3c1cccc3 62a_200025704644_100000185772 [0,1,0,0,0,0|2,0,0]=3 17 B18R3.220425 [13CH3]Sc1c2ccccc2nc3c1cccc3 62a_100000044299_200025704644 [0,1,0,0,0,0|1,0,0]=2 18 B16R2.172 C=Cc1ccccc1Cc2ccccc2 271570a_100011290941_200011216382 [0,0,1,0,0,0|2,0,0]=3 19 B16R2.172 C=Cc1ccccc1Oc2ccccc2 271570a_100011290941_100000049502 [0,0,1,0,0,0|2,0,0]=3 20 B16R2.172 C=Cc1ccccc1Sc2ccccc2 62a_100000719477_100011218376 [0,0,1,0,0,0|2,0,0]=3 21 B16R2.172 C=Cc1ccccc1Sc2ccccc2 62a_100011218376_100000041952 [0,0,1,0,0,0|2,0,0]=3 22 B16R2.172 C=Cc1ccccc1Sc2ccccn2 62a_100011216584_100011218376 [0,0,1,0,0,0|3,0,0]=4 23 B16R2.172 C=Cc1ccccc1Sc2ccccn2 62a_100011218376_100011216584 [0,0,1,0,0,0|3,0,0]=4 24 B16R2.172 C=Cc1ccccc1Sc2cccnc2 62a_100000210063_100011218376 [0,0,1,0,0,0|3,0,0]=4 25 B16R2.172 C=Cc1ccccc1Sc2cccnc2 62a_100011218376_100000210063 [0,0,1,0,0,0|3,0,0]=4 26 B16R2.172 C=Cc1ccccc1Sc2ccncc2 62a_100000728582_100011218376 [0,0,1,0,0,0|3,0,0]=4 27 B16R2.172 C=Cc1ccccc1Sc2ccncc2 62a_100011218376_100000728582 [0,0,1,0,0,0|3,0,0]=4 28 B16R2.172 CCc1ccccc1Sc2ccccc2 62a_100000719477_100011215823 [0,0,1,0,0,0|2,0,1]=4 29 B16R2.172 CCc1ccccc1Sc2ccccc2 62a_100011215823_100000041952 [0,0,1,0,0,0|2,0,1]=4 30 B16R2.172 CNc1ccccc1Cc2ccccc2 2230a_100000211252_200000210301 [0,0,1,0,0,0|3,0,0]=4 31 B16R2.172 CNc1ccccc1Cc2ccccc2 34a_100000211252_200000210301 [0,0,1,0,0,0|3,0,0]=4 32 B16R2.172 CNc1ccccc1Cc2ccccc2 7a_100000211252_200000210301 [0,0,1,0,0,0|3,0,0]=4 33 B16R2.172 CNc1ccccc1Oc2ccccc2 2230a_100000182328_200000210301 [0,0,1,0,0,0|3,0,0]=4 34 B16R2.172 CNc1ccccc1Oc2ccccc2 34a_100000182328_200000210301 [0,0,1,0,0,0|3,0,0]=4 35 B16R2.172 CNc1ccccc1Sc2ccccc2 2230a_100000210917_200000210301 [0,0,1,0,0,0|3,0,0]=4 36 B16R2.172 CNc1ccccc1Sc2ccccc2 62a_100000719477_100020606079 [0,0,1,0,0,0|3,0,0]=4 37 B16R2.172 CNc1ccccc1Sc2ccccc2 62a_100020606079_100000041952 [0,0,1,0,0,0|3,0,0]=4 38 B16R2.172 COc1ccccc1Cc2ccccc2 34a_100000211249_200000210301 [0,0,1,0,0,0|3,0,0]=4 39 B16R2.172 COc1ccccc1Cc2ccccc2 7a_100000211249_200000210301 [0,0,1,0,0,0|3,0,0]=4 40 B16R2.172 COc1ccccc1Oc2ccccc2 34a_100000074787_200000210301 [0,0,1,0,0,0|3,0,0]=4 41 B16R2.172 COc1ccccc1Oc2ccccc2 7a_100000074787_200000210301 [0,0,1,0,0,0|3,0,0]=4 42 B16R2.172 COc1ccccc1Sc2ccccc2 62a_100000210334_100000041952 [0,0,1,0,0,0|3,0,0]=4 43 B16R2.172 COc1ccccc1Sc2ccccc2 62a_100000719477_100000210334 [0,0,1,0,0,0|3,0,0]=4 44 B16R2.172 CSc1ccccc1Cc2ccccc2 62a_200000210301_200011216382 [0,0,1,0,0,0|3,0,0]=4 45 B16R2.172 CSc1ccccc1Cc2ccccc2 62a_200011216382_200000210301 [0,0,1,0,0,0|3,0,0]=4 46 B16R2.172 CSc1ccccc1Nc2ccccc2 62a_200000210301_100009815782 [0,0,1,0,0,0|2,0,1]=4 47 B16R2.172 CSc1ccccc1Oc2ccccc2 62a_200000210301_100000049502 [0,0,1,0,0,0|3,0,0]=4 48 B16R2.172 CSc1ccccc1Sc2ccccc2 62a_100000719477_100011217816 [0,0,1,0,0,0|3,0,0]=4 49 B16R2.172 CSc1ccccc1Sc2ccccc2 62a_100011217816_100000041952 [0,0,1,0,0,0|3,0,0]=4 50 B16R2.172 N#Cc1ccccc1Sc2ccccc2 62a_100000719477_100000188569 [0,0,1,0,0,0|1,0,2]=4 51 B16R2.172 NCc1ccccc1Sc2ccccc2 62a_100000689332_100000041952 [0,0,1,0,0,0|1,0,1]=3 52 B16R2.172 NCc1ccccc1Sc2ccccc2 62a_100000719477_100000689332 [0,0,1,0,0,0|1,0,1]=3 53 B16R2.172 NCc1ccccc1Sc2ccccn2 62a_100000689332_100011216584 [0,0,1,0,0,0|2,0,1]=4 54 B16R2.172 NCc1ccccc1Sc2ccccn2 62a_100011216584_100000689332 [0,0,1,0,0,0|2,0,1]=4 55 B16R2.172 NCc1ccccc1Sc2cccnc2 62a_100000210063_100000689332 [0,0,1,0,0,0|2,0,1]=4 56 B16R2.172 NCc1ccccc1Sc2cccnc2 62a_100000689332_100000210063 [0,0,1,0,0,0|2,0,1]=4 57 B16R2.172 NCc1ccccc1Sc2ccncc2 62a_100000689332_100000728582 [0,0,1,0,0,0|2,0,1]=4 58 B16R2.172 NCc1ccccc1Sc2ccncc2 62a_100000728582_100000689332 [0,0,1,0,0,0|2,0,1]=4 59 B16R2.172 NCc1cccnc1Sc2ccccc2 62a_100000719477_100015189234 [0,0,1,0,0,0|2,0,1]=4 60 B16R2.172 NCc1cccnc1Sc2ccccc2 62a_100015189234_100000041952 [0,0,1,0,0,0|2,0,1]=4 61 B16R2.172 NCc1ccncc1Sc2ccccc2 62a_100000719477_100020640021 [0,0,1,0,0,0|2,0,1]=4 62 B16R2.172 NCc1ccncc1Sc2ccccc2 62a_100020640021_100000041952 [0,0,1,0,0,0|2,0,1]=4 63 B16R2.172 NCc1ncccc1Sc2ccccc2 62a_100000719477_100020591323 [0,0,1,0,0,0|2,0,1]=4 64 B16R2.172 NCc1ncccc1Sc2ccccc2 62a_100020591323_100000041952 [0,0,1,0,0,0|2,0,1]=4 65 B16R2.172 NNc1ccccc1Sc2ccccc2 62a_100000241748_100000041952 [0,0,1,0,0,0|2,0,0]=3 66 B16R2.172 NNc1ccccc1Sc2ccccc2 62a_100000719477_100000241748 [0,0,1,0,0,0|2,0,0]=3 67 B16R2.172 NNc1ccccc1Sc2ccccn2 62a_100000241748_100011216584 [0,0,1,0,0,0|3,0,0]=4 68 B16R2.172 NNc1ccccc1Sc2ccccn2 62a_100011216584_100000241748 [0,0,1,0,0,0|3,0,0]=4 69 B16R2.172 NNc1ccccc1Sc2cccnc2 62a_100000210063_100000241748 [0,0,1,0,0,0|3,0,0]=4 70 B16R2.172 NNc1ccccc1Sc2cccnc2 62a_100000241748_100000210063 [0,0,1,0,0,0|3,0,0]=4 71 B16R2.172 NNc1ccccc1Sc2ccncc2 62a_100000241748_100000728582 [0,0,1,0,0,0|3,0,0]=4 72 B16R2.172 NNc1ccccc1Sc2ccncc2 62a_100000728582_100000241748 [0,0,1,0,0,0|3,0,0]=4 73 B16R2.172 NNc1ccncc1Sc2ccccc2 62a_100000719477_100013404636 [0,0,1,0,0,0|3,0,0]=4 74 B16R2.172 NNc1ccncc1Sc2ccccc2 62a_100013404636_100000041952 [0,0,1,0,0,0|3,0,0]=4 75 B16R2.172 NNc1ncccc1Sc2ccccc2 62a_100000719477_100011464834 [0,0,1,0,0,0|3,0,0]=4 76 B16R2.172 NNc1ncccc1Sc2ccccc2 62a_100011464834_100000041952 [0,0,1,0,0,0|3,0,0]=4 77 B16R2.172 O=Cc1ccccc1Sc2ccccc2 62a_100000210073_100000041952 [0,0,1,0,0,0|2,0,0]=3 78 B16R2.172 O=Cc1ccccc1Sc2ccccc2 62a_100000719477_100000210073 [0,0,1,0,0,0|2,0,0]=3 79 B16R2.172 O=Cc1ccccc1Sc2ccccn2 62a_100000210073_100011216584 [0,0,1,0,0,0|3,0,0]=4 80 B16R2.172 O=Cc1ccccc1Sc2ccccn2 62a_100011216584_100000210073 [0,0,1,0,0,0|3,0,0]=4 81 B16R2.172 O=Cc1ccccc1Sc2cccnc2 62a_100000210063_100000210073 [0,0,1,0,0,0|3,0,0]=4 82 B16R2.172 O=Cc1ccccc1Sc2cccnc2 62a_100000210073_100000210063 [0,0,1,0,0,0|3,0,0]=4 83 B16R2.172 O=Cc1ccccc1Sc2ccncc2 62a_100000210073_100000728582 [0,0,1,0,0,0|3,0,0]=4 84 B16R2.172 O=Cc1ccccc1Sc2ccncc2 62a_100000728582_100000210073 [0,0,1,0,0,0|3,0,0]=4 85 B16R2.172 O=Cc1cccnc1Sc2ccccc2 62a_100000719477_100009816751 [0,0,1,0,0,0|3,0,0]=4 86 B16R2.172 O=Cc1cccnc1Sc2ccccc2 62a_100009816751_100000041952 [0,0,1,0,0,0|3,0,0]=4 87 B16R2.172 O=Cc1ccncc1Sc2ccccc2 62a_100000719477_100011934409 [0,0,1,0,0,0|3,0,0]=4 88 B16R2.172 O=Cc1ccncc1Sc2ccccc2 62a_100011934409_100000041952 [0,0,1,0,0,0|3,0,0]=4 89 B16R2.172 O=Cc1cnccc1Sc2ccccc2 62a_100000050567_100000041952 [0,0,1,0,0,0|3,0,0]=4 90 B16R2.172 O=Cc1cnccc1Sc2ccccc2 62a_100000719477_100000050567 [0,0,1,0,0,0|3,0,0]=4 91 B16R2.172 O=Cc1ncccc1Sc2ccccc2 62a_100000719477_100011934733 [0,0,1,0,0,0|3,0,0]=4 92 B16R2.172 O=Cc1ncccc1Sc2ccccc2 62a_100011934733_100000041952 [0,0,1,0,0,0|3,0,0]=4 93 B16R2.172 OCc1ccccc1Sc2ccccc2 62a_100000187465_100000041952 [0,0,1,0,0,0|2,0,1]=4 94 B16R2.172 OCc1ccccc1Sc2ccccc2 62a_100000719477_100000187465 [0,0,1,0,0,0|2,0,1]=4 95 B16R2.172 [13CH3]Nc1ccccc1Cc2ccccc2 2230a_100000211252_200025704644 [0,0,1,0,0,0|3,0,0]=4 96 B16R2.172 [13CH3]Nc1ccccc1Cc2ccccc2 34a_100000211252_200025704644 [0,0,1,0,0,0|3,0,0]=4 97 B16R2.172 [13CH3]Nc1ccccc1Cc2ccccc2 7a_100000211252_200025704644 [0,0,1,0,0,0|3,0,0]=4 98 B16R2.172 [13CH3]Nc1ccccc1Oc2ccccc2 2230a_100000182328_200025704644 [0,0,1,0,0,0|3,0,0]=4 99 B16R2.172 [13CH3]Nc1ccccc1Oc2ccccc2 34a_100000182328_200025704644 [0,0,1,0,0,0|3,0,0]=4 100 B16R2.172 [13CH3]Nc1ccccc1Sc2ccccc2 2230a_100000210917_200025704644 [0,0,1,0,0,0|3,0,0]=4 101 B16R2.172 [13CH3]Oc1ccccc1Cc2ccccc2 34a_100000211249_200025704644 [0,0,1,0,0,0|3,0,0]=4 102 B16R2.172 [13CH3]Oc1ccccc1Cc2ccccc2 7a_100000211249_200025704644 [0,0,1,0,0,0|3,0,0]=4 103 B16R2.172 [13CH3]Oc1ccccc1Oc2ccccc2 34a_100000074787_200025704644 [0,0,1,0,0,0|3,0,0]=4 104 B16R2.172 [13CH3]Oc1ccccc1Oc2ccccc2 7a_100000074787_200025704644 [0,0,1,0,0,0|3,0,0]=4 105 B16R2.172 [13CH3]Sc1ccccc1Cc2ccccc2 62a_200011216382_200025704644 [0,0,1,0,0,0|3,0,0]=4 106 B16R2.172 [13CH3]Sc1ccccc1Cc2ccccc2 62a_200025704644_200011216382 [0,0,1,0,0,0|3,0,0]=4 107 B16R2.172 [13CH3]Sc1ccccc1Nc2ccccc2 62a_200025704644_100009815782 [0,0,1,0,0,0|2,0,1]=4 108 B16R2.172 [13CH3]Sc1ccccc1Oc2ccccc2 62a_200025704644_100000049502 [0,0,1,0,0,0|3,0,0]=4 109 B16R2.1054 C=CCNc1cc(c2ccccc2n1)C 27a_100020586998_100000184993 [0,0,1,0,0,0|2,0,1]=4 110 B16R2.1054 C=CCNc1nc(c2ccccc2n1)N 27a_100020586998_100000690328 [0,0,1,0,0,0|2,0,1]=4 111 B16R2.1054 C=CCSc1cc(c2ccccc2c1)N 62a_100000210623_100010171453 [0,0,1,0,0,0|2,0,1]=4 112 B16R2.1054 C=CCSc1cc(c2ccccc2c1)N 62a_100010171453_100000210623 [0,0,1,0,0,0|2,0,1]=4 113 B16R2.1054 C=CCSc1cc(c2ccccc2n1)C 62a_100000210623_100000184993 [0,0,1,0,0,0|2,0,1]=4 114 B16R2.1054 C=CCSc1cc(c2ccccc2n1)C 62a_100012354972_100000210623 [0,0,1,0,0,0|2,0,1]=4 115 B16R2.1054 C=CCSc1cc(c2ccccc2n1)N 62a_100010197925_100000210623 [0,0,1,0,0,0|1,0,1]=3 116 B16R2.1054 C=CCSc1nc(c2ccccc2n1)N 62a_100000690328_100000210623 [0,0,1,0,0,0|2,0,1]=4 117 B16R2.1054 Nc1cc(nc2c1cccc2)SCC=O 62a_100010197925_200015260668 [0,0,1,0,0,0|2,0,1]=4 118 B16R2.2942 C=CCOc1ccc2ccccc2c1N 34a_100000007056_100015514636 [0,0,1,0,0,0|2,0,1]=4 119 B16R2.2942 C=CCOc1ccc2ccccc2c1N 7a_100000007056_100015514636 [0,0,1,0,0,0|2,0,1]=4 120 B16R2.2942 C=CCSc1ccc2ccccc2c1N 62a_100009817101_100000210623 [0,0,1,0,0,0|2,0,1]=4 121 B16R2.2942 C=CCSc1cnc2ccccc2c1Cl 62a_100000210623_100012352519 [0,0,1,0,0,0|2,0,1]=4 122 B16R2.2942 C=CCSc1cnc2ccccc2c1N 62a_100000210623_100009995562 [0,0,1,0,0,0|1,0,1]=3 123 B16R2.2942 C=CCSc1cnc2ccccc2c1N 62a_100009995562_100000210623 [0,0,1,0,0,0|1,0,1]=3 124 B16R2.2942 Nc1c(cnc2c1cccc2)SCC=O 62a_100009995562_200015260668 [0,0,1,0,0,0|2,0,1]=4 125 B16R2.2942 Nc1c(cnc2c1cccc2)SCC=O 62a_200015260668_100009995562 [0,0,1,0,0,0|2,0,1]=4 126 B16R2.3896 C=C(c1ccccc1)c2c[nH]ccc2=O 271570a_100000068269_100009998708 [0,0,1,0,0,0|3,0,0]=4 127 B16R2.3896 C=C(c1ccccc1)c2c[nH]ccc2=S 271570a_100000068269_200012280681 [0,0,1,0,0,0|3,0,0]=4 128 B16R2.3896 C=C(c1ccccc1)c2ccc[nH]c2=O 271570a_100000068269_100000050042 [0,0,1,0,0,0|3,0,0]=4 129 B16R2.3896 C=C(c1ccccc1)c2cccc[n+]2C 271570a_100000068269_100000212160 [0,0,1,0,0,0|3,0,0]=4 130 B16R2.3896 C=C(c1ccccc1)c2cccc[n+]2[O-] 271570a_100000068269_200000042595 [0,0,1,0,0,0|3,0,0]=4 131 B16R2.3896 C=C(c1ccccc1)c2ccccc2Br 271570a_100000068269_100000695589 [0,0,1,0,0,0|2,0,0]=3 132 B16R2.3896 C=C(c1ccccc1)c2ccccc2C 271570a_100000068269_100000210755 [0,0,1,0,0,0|2,0,0]=3 133 B16R2.3896 C=C(c1ccccc1)c2ccccc2Cl 271570a_100000068269_100000764095 [0,0,1,0,0,0|2,0,0]=3 134 B16R2.3896 C=C(c1ccccc1)c2ccccc2F 271570a_100000068269_100011215700 [0,0,1,0,0,0|2,0,0]=3 135 B16R2.3896 C=C(c1ccccc1)c2ccccc2N 271570a_100000068269_100000210017 [0,0,1,0,0,0|1,0,1]=3 136 B16R2.3896 C=C(c1ccccc1)c2ccccc2O 271570a_100000068269_100000739446 [0,0,1,0,0,0|2,0,0]=3 137 B16R2.3896 C=C(c1ccccc1)c2cccnc2Br 271570a_100000068269_100010202626 [0,0,1,0,0,0|3,0,0]=4 138 B16R2.3896 C=C(c1ccccc1)c2cccnc2C 271570a_100000068269_100000751574 [0,0,1,0,0,0|3,0,0]=4 139 B16R2.3896 C=C(c1ccccc1)c2cccnc2Cl 271570a_100000068269_100000036424 [0,0,1,0,0,0|3,0,0]=4 140 B16R2.3896 C=C(c1ccccc1)c2cccnc2F 271570a_100000068269_100009816115 [0,0,1,0,0,0|3,0,0]=4 141 B16R2.3896 C=C(c1ccccc1)c2cccnc2N 271570a_100000068269_100000045569 [0,0,1,0,0,0|2,0,1]=4 142 B16R2.3896 C=C(c1ccccc1)c2ccncc2Br 271570a_100000068269_100000726257 [0,0,1,0,0,0|3,0,0]=4 143 B16R2.3896 C=C(c1ccccc1)c2ccncc2C 271570a_100000068269_100015191297 [0,0,1,0,0,0|3,0,0]=4 144 B16R2.3896 C=C(c1ccccc1)c2ccncc2Cl 271570a_100000068269_100000708259 [0,0,1,0,0,0|3,0,0]=4 145 B16R2.3896 C=C(c1ccccc1)c2ccncc2F 271570a_100000068269_100000047030 [0,0,1,0,0,0|3,0,0]=4 146 B16R2.3896 C=C(c1ccccc1)c2ccncc2N 271570a_100000068269_100009815883 [0,0,1,0,0,0|2,0,1]=4 147 B16R2.3896 C=C(c1ccccc1)c2ccncc2O 271570a_100000068269_100009817591 [0,0,1,0,0,0|3,0,0]=4 148 B16R2.3896 C=C(c1ccccc1)c2cnccc2Br 271570a_100000068269_100010138639 [0,0,1,0,0,0|3,0,0]=4 149 B16R2.3896 C=C(c1ccccc1)c2cnccc2C 271570a_100000068269_100000761580 [0,0,1,0,0,0|3,0,0]=4 150 B16R2.3896 C=C(c1ccccc1)c2cnccc2Cl 271570a_100000068269_100009995489 [0,0,1,0,0,0|3,0,0]=4 151 B16R2.3896 C=C(c1ccccc1)c2cnccc2F 271570a_100000068269_100009820683 [0,0,1,0,0,0|3,0,0]=4 152 B16R2.3896 C=C(c1ccccc1)c2cnccc2N 271570a_100000068269_100000047001 [0,0,1,0,0,0|2,0,1]=4 153 B16R2.3896 C=C(c1ccccc1)c2ncccc2Br 271570a_100000068269_100000696092 [0,0,1,0,0,0|3,0,0]=4 154 B16R2.3896 C=C(c1ccccc1)c2ncccc2C 271570a_100000068269_100000751373 [0,0,1,0,0,0|3,0,0]=4 155 B16R2.3896 C=C(c1ccccc1)c2ncccc2Cl 271570a_100000068269_100011356963 [0,0,1,0,0,0|3,0,0]=4 156 B16R2.3896 C=C(c1ccccc1)c2ncccc2F 271570a_100000068269_100000685392 [0,0,1,0,0,0|3,0,0]=4 157 B16R2.3896 C=C(c1ccccc1)c2ncccc2N 271570a_100000068269_100000688686 [0,0,1,0,0,0|2,0,1]=4 158 B16R2.3896 C=C(c1ccccc1)c2ncccc2O 271570a_100000068269_100000034122 [0,0,1,0,0,0|3,0,0]=4 159 B16R2.3896 NC(c1ccccc1)c2ccccc2O 271570a_203496583355_100011211563 [0,0,1,0,0,0|1,0,1]=3 160 B16R2.3896 O=C(c1ccccc1)c2ccccc2O 271570a_203496583355_100000198044 [0,0,1,0,0,0|2,0,0]=3 161 B16R2.3896 O=C(c1cccnc1)c2ccccc2O 271570a_203496583355_100011532686 [0,0,1,0,0,0|3,0,0]=4 162 B16R2.5844 C=C=Cc1c(nc2ccccc2c1C)O 271570a_100015277604_100009820873 [0,0,1,0,0,0|2,0,1]=4 163 B16R2.5844 CC=Cc1c(nc2ccccc2c1C)O 271570a_100016259895_100009820873 [0,0,1,0,0,0|2,0,1]=4 164 B16R2.37486 C=Cc1nc2ccccc2c(c1C#N)C 271570a_100011290941_100000040697 [0,0,1,0,0,0|2,0,1]=4 165 B16R2.37486 C=Cc1nc2ccccn2c(=O)c1C=O 271570a_100011290941_100000010195 [0,0,1,0,0,0|3,0,0]=4 166 B15R2.38 Brc1ccccc1Sc2ccccc2 62a_100000695589_100000041952 [1,0,1,0,0,0|2,0,0]=4 167 B15R2.38 Brc1ccccc1Sc2ccccc2 62a_100000719477_100000695589 [1,0,1,0,0,0|2,0,0]=4 168 B15R2.38 Cc1ccccc1Sc2ccccc2 62a_100000210755_100000041952 [1,0,1,0,0,0|1,0,1]=4 169 B15R2.38 Cc1ccccc1Sc2ccccc2 62a_100000719477_100000210755 [1,0,1,0,0,0|1,0,1]=4 170 B15R2.38 Clc1ccccc1Sc2ccccc2 62a_100000719477_100000764095 [1,0,1,0,0,0|2,0,0]=4 171 B15R2.38 Clc1ccccc1Sc2ccccc2 62a_100000764095_100000041952 [1,0,1,0,0,0|2,0,0]=4 172 B15R2.38 Fc1ccccc1Sc2ccccc2 62a_100000719477_100011215700 [1,0,1,0,0,0|2,0,0]=4 173 B15R2.38 Fc1ccccc1Sc2ccccc2 62a_100011215700_100000041952 [1,0,1,0,0,0|2,0,0]=4 174 B15R2.38 Nc1ccccc1Sc2ccccc2 62a_100000210017_100000041952 [1,0,1,0,0,0|1,0,0]=3 175 B15R2.38 Nc1ccccc1Sc2ccccc2 62a_100000719477_100000210017 [1,0,1,0,0,0|1,0,0]=3 176 B15R2.38 Nc1ccccc1Sc2ccccn2 62a_100000210017_100011216584 [1,0,1,0,0,0|2,0,0]=4 177 B15R2.38 Nc1ccccc1Sc2ccccn2 62a_100011216584_100000210017 [1,0,1,0,0,0|2,0,0]=4 178 B15R2.38 Nc1ccccc1Sc2cccnc2 62a_100000210017_100000210063 [1,0,1,0,0,0|2,0,0]=4 179 B15R2.38 Nc1ccccc1Sc2cccnc2 62a_100000210063_100000210017 [1,0,1,0,0,0|2,0,0]=4 180 B15R2.38 Nc1ccccc1Sc2ccncc2 62a_100000210017_100000728582 [1,0,1,0,0,0|2,0,0]=4 181 B15R2.38 Nc1ccccc1Sc2ccncc2 62a_100000728582_100000210017 [1,0,1,0,0,0|2,0,0]=4 182 B15R2.38 Nc1cccnc1Sc2ccccc2 62a_100000688686_100000041952 [1,0,1,0,0,0|2,0,0]=4 183 B15R2.38 Nc1cccnc1Sc2ccccc2 62a_100000719477_100000688686 [1,0,1,0,0,0|2,0,0]=4 184 B15R2.38 Nc1ccncc1Sc2ccccc2 62a_100000047001_100000041952 [1,0,1,0,0,0|2,0,0]=4 185 B15R2.38 Nc1ccncc1Sc2ccccc2 62a_100000719477_100000047001 [1,0,1,0,0,0|2,0,0]=4 186 B15R2.38 Nc1cnccc1Sc2ccccc2 62a_100000719477_100000756074 [1,0,1,0,0,0|2,0,0]=4 187 B15R2.38 Nc1cnccc1Sc2ccccc2 62a_100000756074_100000041952 [1,0,1,0,0,0|2,0,0]=4 188 B15R2.38 Nc1ncccc1Sc2ccccc2 62a_100000045569_100000041952 [1,0,1,0,0,0|2,0,0]=4 189 B15R2.38 Nc1ncccc1Sc2ccccc2 62a_100000719477_100000045569 [1,0,1,0,0,0|2,0,0]=4 190 B15R2.38 Oc1ccccc1Cc2ccccc2 271570a_203496583355_200011216382 [1,0,1,0,0,0|1,0,1]=4 191 B15R2.38 Oc1ccccc1Oc2ccccc2 271570a_203496583355_100000049502 [1,0,1,0,0,0|2,0,0]=4 192 B15R2.38 Oc1ccccc1Sc2ccccc2 62a_100000719477_100000739446 [1,0,1,0,0,0|2,0,0]=4 193 B15R2.38 Oc1ccccc1Sc2ccccc2 62a_100000739446_100000041952 [1,0,1,0,0,0|2,0,0]=4 194 B15R2.352 C=CCNc1ccc2ccccc2n1 27a_100020586998_100011291633 [1,0,1,0,0,0|1,0,1]=4 195 B15R2.352 C=CCOc1cnc2ccccc2c1 34a_100011934006_100015514636 [1,0,1,0,0,0|1,0,1]=4 196 B15R2.352 C=CCOc1cnc2ccccc2c1 7a_100011934006_100015514636 [1,0,1,0,0,0|1,0,1]=4 197 B15R2.352 C=CCSc1ccc2ccccc2n1 62a_100000210623_100011291633 [1,0,1,0,0,0|1,0,1]=4 198 B15R2.352 C=CCSc1ccc2ccccc2n1 62a_100011291633_100000210623 [1,0,1,0,0,0|1,0,1]=4 199 B15R2.352 C=CCSc1cnc2ccccc2c1 62a_100000210623_100000737414 [1,0,1,0,0,0|1,0,1]=4 200 B15R2.886 C=C=Cc1cc(c2ccccc2c1)N 271570a_100015277604_100010171453 [1,0,1,0,0,0|1,0,1]=4 201 B15R2.886 C=C=Cc1cc(c2ccccc2n1)C 271570a_100015277604_100012354972 [1,0,1,0,0,0|1,0,1]=4 202 B15R2.886 C=C=Cc1cc(c2ccccc2n1)N 271570a_100015277604_100010197925 [1,0,1,0,0,0|0,0,1]=3 203 B15R2.886 CC=Cc1cc(c2ccccc2c1)N 271570a_100016259895_100010171453 [1,0,1,0,0,0|1,0,1]=4 204 B15R2.886 CC=Cc1cc(c2ccccc2n1)C 271570a_100016259895_100012354972 [1,0,1,0,0,0|1,0,1]=4 205 B15R2.886 CC=Cc1cc(c2ccccc2n1)N 271570a_100016259895_100010197925 [1,0,1,0,0,0|0,0,1]=3 206 B15R2.2220 C=C=Cc1ccc2ccccc2c1N 271570a_100015277604_100009817101 [1,0,1,0,0,0|1,0,1]=4 207 B15R2.2220 C=C=Cc1cnc2ccccc2c1Cl 271570a_100015277604_100012352519 [1,0,1,0,0,0|1,0,1]=4 208 B15R2.2220 C=C=Cc1cnc2ccccc2c1N 271570a_100015277604_100009995562 [1,0,1,0,0,0|0,0,1]=3 209 B15R2.2220 CC=Cc1ccc2ccccc2c1N 271570a_100016259895_100009817101 [1,0,1,0,0,0|1,0,1]=4 210 B15R2.2220 CC=Cc1cnc2ccccc2c1Cl 271570a_100016259895_100012352519 [1,0,1,0,0,0|1,0,1]=4 211 B15R2.2220 CC=Cc1cnc2ccccc2c1N 271570a_100016259895_100009995562 [1,0,1,0,0,0|0,0,1]=3 212 B15R2.2226 C=C(c1ccccc1)c2ccccc2 271570a_100000068269_100000210277 [1,0,1,0,0,0|1,0,0]=3 213 B15R2.2226 C=C(c1ccccc1)c2ccccn2 271570a_100000068269_100011216584 [1,0,1,0,0,0|2,0,0]=4 214 B15R2.2226 C=C(c1ccccc1)c2cccnc2 271570a_100000068269_100000752921 [1,0,1,0,0,0|2,0,0]=4 215 B15R2.2226 C=C(c1ccccc1)c2ccncc2 271570a_100000068269_100000035832 [1,0,1,0,0,0|2,0,0]=4 216 B15R2.274 C=Cc1c(nc2ccccc2c1C)O 271570a_100011290941_100009820873 [1,0,1,0,0,0|2,0,0]=4 217 B15R2.888 C=C=Cc1cc2ccccc2nc1Cl 271570a_100015277604_100010220712 [1,0,1,0,0,0|1,0,1]=4 218 B15R2.888 C=C=Cc1cc2ccccc2nc1F 271570a_100015277604_100011158909 [1,0,1,0,0,0|1,0,1]=4 219 B15R2.888 C=C=Cc1cc2ccccc2nc1N 271570a_100015277604_100010135404 [1,0,1,0,0,0|1,0,1]=4 220 B15R2.888 C=C=Cc1cc2ccccc2nc1O 271570a_100015277604_200009820883 [1,0,1,0,0,0|1,0,1]=4 221 B15R2.888 C=C=Cc1nc2ccccc2cc1Br 271570a_100015277604_100010072790 [1,0,1,0,0,0|1,0,1]=4 222 B15R2.888 C=C=Cc1nc2ccccc2cc1C 271570a_100015277604_100000751756 [1,0,1,0,0,0|0,0,2]=4 223 B15R2.888 C=C=Cc1nc2ccccc2cc1O 271570a_100015277604_200000100762 [1,0,1,0,0,0|1,0,1]=4 224 B15R2.888 CC=Cc1cc2ccccc2nc1Cl 271570a_100016259895_100010220712 [1,0,1,0,0,0|1,0,1]=4 225 B15R2.888 CC=Cc1cc2ccccc2nc1F 271570a_100016259895_100011158909 [1,0,1,0,0,0|1,0,1]=4 226 B15R2.888 CC=Cc1cc2ccccc2nc1N 271570a_100016259895_100010135404 [1,0,1,0,0,0|1,0,1]=4 227 B15R2.888 CC=Cc1cc2ccccc2nc1O 271570a_100016259895_200009820883 [1,0,1,0,0,0|1,0,1]=4 228 B15R2.888 CC=Cc1nc2ccccc2cc1Br 271570a_100016259895_100010072790 [1,0,1,0,0,0|1,0,1]=4 229 B15R2.888 CC=Cc1nc2ccccc2cc1C 271570a_100016259895_100000751756 [1,0,1,0,0,0|0,0,2]=4 230 B15R2.888 CC=Cc1nc2ccccc2cc1O 271570a_100016259895_200000100762 [1,0,1,0,0,0|1,0,1]=4 231 B15R2.117 C=Cc1cc2ccccc2nc1OC 271570a_100011290941_100009820890 [1,0,1,0,0,0|1,0,1]=4 232 B15R2.117 C=Cc1nc2ccccc2cc1C#N 271570a_100011290941_100015207123 [1,0,1,0,0,0|1,0,1]=4 233 B15R2.117 C=Cc1nc2ccccc2cc1C=O 271570a_100011290941_100000183649 [1,0,1,0,0,0|1,0,0]=3 234 B15R2.117 C=Cc1nc2ccccc2cc1CC 271570a_100011290941_100011829826 [1,0,1,0,0,0|0,0,2]=4 235 B15R2.117 C=Cc1nc2ccccc2cc1CO 271570a_100011290941_100000754719 [1,0,1,0,0,0|1,0,1]=4 236 B17R2.29 Cc1cccc(c1C=O)Sc2ccccc2 62a_100000041122_100000041952 [0,1,1,0,0,0|2,0,0]=4 237 B17R2.29 Cc1cccc(c1C=O)Sc2ccccc2 62a_100000719477_100000041122 [0,1,1,0,0,0|2,0,0]=4 238 B17R2.29 NCc1c(cccc1Sc2ccccc2)F 62a_100000719477_100012349121 [0,1,1,0,0,0|1,0,1]=4 239 B17R2.29 NCc1c(cccc1Sc2ccccc2)F 62a_100012349121_100000041952 [0,1,1,0,0,0|1,0,1]=4 240 B17R2.29 NNc1c(cccc1Sc2ccccc2)F 62a_100000719477_100016994982 [0,1,1,0,0,0|2,0,0]=4 241 B17R2.29 NNc1c(cccc1Sc2ccccc2)F 62a_100016994982_100000041952 [0,1,1,0,0,0|2,0,0]=4 242 B17R2.29 Nc1cccc(c1C=O)Sc2ccccc2 62a_100010232536_100000041952 [0,1,1,0,0,0|2,0,0]=4 243 B17R2.29 O=Cc1c(cccc1Sc2ccccc2)Cl 62a_100000719477_100010147682 [0,1,1,0,0,0|2,0,0]=4 244 B17R2.29 O=Cc1c(cccc1Sc2ccccc2)Cl 62a_100010147682_100000041952 [0,1,1,0,0,0|2,0,0]=4 245 B17R2.29 O=Cc1c(cccc1Sc2ccccc2)F 62a_100000210083_100000041952 [0,1,1,0,0,0|2,0,0]=4 246 B17R2.29 O=Cc1c(cccc1Sc2ccccc2)F 62a_100000719477_100000210083 [0,1,1,0,0,0|2,0,0]=4 247 B17R2.29 O=Cc1c(cccc1Sc2ccccc2)O 62a_100000719477_100010193437 [0,1,1,0,0,0|2,0,0]=4 248 B17R2.87 C=C=Cc1ccccc1Cc2ccccc2 271570a_100015277604_200011216382 [0,1,1,0,0,0|2,0,0]=4 249 B17R2.87 C=C=Cc1ccccc1Oc2ccccc2 271570a_100015277604_100000049502 [0,1,1,0,0,0|2,0,0]=4 250 B17R2.87 C=CCc1ccccc1Sc2ccccc2 62a_100000719477_100009828059 [0,1,1,0,0,0|2,0,0]=4 251 B17R2.87 C=CCc1ccccc1Sc2ccccc2 62a_100009828059_100000041952 [0,1,1,0,0,0|2,0,0]=4 252 B17R2.87 CC=Cc1ccccc1Cc2ccccc2 271570a_100016259895_200011216382 [0,1,1,0,0,0|2,0,0]=4 253 B17R2.87 CC=Cc1ccccc1Oc2ccccc2 271570a_100016259895_100000049502 [0,1,1,0,0,0|2,0,0]=4 254 B17R2.87 CNCc1ccccc1Cc2ccccc2 207a_100102657272_100009842342 [0,1,1,0,0,0|1,0,1]=4 255 B17R2.87 CNCc1ccccc1Cc2ccccc2 2230a_106832991635_100010254464 [0,1,1,0,0,0|1,0,1]=4 256 B17R2.87 CNCc1ccccc1Cc2ccccc2 26a_100102657272_100000211249 [0,1,1,0,0,0|1,0,1]=4 257 B17R2.87 CNCc1ccccc1Cc2ccccc2 270004a_106832991635_100009842342 [0,1,1,0,0,0|1,0,1]=4 258 B17R2.87 CNCc1ccccc1Cc2ccccc2 34a_100102657272_100010254464 [0,1,1,0,0,0|1,0,1]=4 259 B17R2.87 CNCc1ccccc1Cc2ccccc2 7a_106832991635_100010254464 [0,1,1,0,0,0|1,0,1]=4 260 B17R2.87 CNCc1ccccc1Oc2ccccc2 207a_100102657272_100011234122 [0,1,1,0,0,0|1,0,1]=4 261 B17R2.87 CNCc1ccccc1Oc2ccccc2 2230a_100016987831_200000210301 [0,1,1,0,0,0|1,0,1]=4 262 B17R2.87 CNCc1ccccc1Oc2ccccc2 2230a_106832991635_100000199117 [0,1,1,0,0,0|1,0,1]=4 263 B17R2.87 CNCc1ccccc1Oc2ccccc2 270004a_106832991635_100011234122 [0,1,1,0,0,0|1,0,1]=4 264 B17R2.87 CNCc1ccccc1Oc2ccccc2 34a_100016987831_200000210301 [0,1,1,0,0,0|1,0,1]=4 265 B17R2.87 CNCc1ccccc1Oc2ccccc2 7a_106832991635_100000199117 [0,1,1,0,0,0|1,0,1]=4 266 B17R2.87 CNCc1ccccc1Sc2ccccc2 62a_100000184654_100000041952 [0,1,1,0,0,0|1,0,1]=4 267 B17R2.87 CNCc1ccccc1Sc2ccccc2 62a_100000719477_100000184654 [0,1,1,0,0,0|1,0,1]=4 268 B17R2.87 NCCc1ccccc1Sc2ccccc2 62a_100000719477_100000747383 [0,1,1,0,0,0|1,0,1]=4 269 B17R2.87 NCCc1ccccc1Sc2ccccc2 62a_100000747383_100000041952 [0,1,1,0,0,0|1,0,1]=4 270 B17R2.87 NNCc1ccccc1Sc2ccccc2 62a_100000719477_200016993956 [0,1,1,0,0,0|1,0,1]=4 271 B17R2.87 NNCc1ccccc1Sc2ccccc2 62a_200016993956_100000041952 [0,1,1,0,0,0|1,0,1]=4 272 B17R2.87 O=CNc1ccccc1Sc2ccccc2 62a_100000719477_200020615051 [0,1,1,0,0,0|2,0,0]=4 273 B17R2.87 O=CNc1ccccc1Sc2ccccc2 62a_200020615051_100000041952 [0,1,1,0,0,0|2,0,0]=4 274 B17R2.87 [13CH3]NCc1ccccc1Oc2ccccc2 2230a_100016987831_200025704644 [0,1,1,0,0,0|1,0,1]=4 275 B17R2.87 [13CH3]NCc1ccccc1Oc2ccccc2 34a_100016987831_200025704644 [0,1,1,0,0,0|1,0,1]=4 276 B17R2.261 C=Cc1ccccc1Sc2cccc(c2)C 62a_100011215228_100011218376 [0,1,1,0,0,0|2,0,0]=4 277 B17R2.261 C=Cc1ccccc1Sc2cccc(c2)C 62a_100011218376_100011215228 [0,1,1,0,0,0|2,0,0]=4 278 B17R2.261 C=Cc1ccccc1Sc2cccc(c2)F 62a_100000685547_100011218376 [0,1,1,0,0,0|2,0,0]=4 279 B17R2.261 C=Cc1ccccc1Sc2cccc(c2)F 62a_100011218376_100000685547 [0,1,1,0,0,0|2,0,0]=4 280 B17R2.261 C=Cc1ccccc1Sc2cccc(c2)N 62a_100000210019_100011218376 [0,1,1,0,0,0|2,0,0]=4 281 B17R2.261 C=Cc1ccccc1Sc2cccc(c2)N 62a_100011218376_100000210019 [0,1,1,0,0,0|2,0,0]=4 282 B17R2.261 C=Cc1ccccc1Sc2cccc(c2)O 62a_100011218376_100000211634 [0,1,1,0,0,0|2,0,0]=4 283 B17R2.261 Cc1cccc(c1)Sc2ccccc2C=O 62a_100000210073_100011215228 [0,1,1,0,0,0|2,0,0]=4 284 B17R2.261 Cc1cccc(c1)Sc2ccccc2C=O 62a_100011215228_100000210073 [0,1,1,0,0,0|2,0,0]=4 285 B17R2.261 Cc1cccc(c1)Sc2ccccc2CN 62a_100000689332_100011215228 [0,1,1,0,0,0|1,0,1]=4 286 B17R2.261 Cc1cccc(c1)Sc2ccccc2CN 62a_100011215228_100000689332 [0,1,1,0,0,0|1,0,1]=4 287 B17R2.261 Cc1cccc(c1)Sc2ccccc2NN 62a_100000241748_100011215228 [0,1,1,0,0,0|2,0,0]=4 288 B17R2.261 Cc1cccc(c1)Sc2ccccc2NN 62a_100011215228_100000241748 [0,1,1,0,0,0|2,0,0]=4 289 B17R2.261 NCc1ccccc1Sc2cccc(c2)Br 62a_100000689332_100000691529 [0,1,1,0,0,0|1,0,1]=4 290 B17R2.261 NCc1ccccc1Sc2cccc(c2)Br 62a_100000691529_100000689332 [0,1,1,0,0,0|1,0,1]=4 291 B17R2.261 NCc1ccccc1Sc2cccc(c2)Cl 62a_100000689332_100000699651 [0,1,1,0,0,0|1,0,1]=4 292 B17R2.261 NCc1ccccc1Sc2cccc(c2)Cl 62a_100000699651_100000689332 [0,1,1,0,0,0|1,0,1]=4 293 B17R2.261 NCc1ccccc1Sc2cccc(c2)F 62a_100000685547_100000689332 [0,1,1,0,0,0|1,0,1]=4 294 B17R2.261 NCc1ccccc1Sc2cccc(c2)F 62a_100000689332_100000685547 [0,1,1,0,0,0|1,0,1]=4 295 B17R2.261 NCc1ccccc1Sc2cccc(c2)N 62a_100000210019_100000689332 [0,1,1,0,0,0|1,0,1]=4 296 B17R2.261 NCc1ccccc1Sc2cccc(c2)N 62a_100000689332_100000210019 [0,1,1,0,0,0|1,0,1]=4 297 B17R2.261 NCc1ccccc1Sc2cccc(c2)O 62a_100000689332_100000211634 [0,1,1,0,0,0|1,0,1]=4 298 B17R2.261 NCc1ccccc1Sc2cccc(c2)[S] 62a_100000689332_114929384022 [0,1,1,0,0,0|1,0,1]=4 299 B17R2.261 NCc1ccccc1Sc2cccc(c2)[S] 62a_114929384022_100000689332 [0,1,1,0,0,0|1,0,1]=4 300 B17R2.261 NNc1ccccc1Sc2cccc(c2)Br 62a_100000241748_100000691529 [0,1,1,0,0,0|2,0,0]=4 301 B17R2.261 NNc1ccccc1Sc2cccc(c2)Br 62a_100000691529_100000241748 [0,1,1,0,0,0|2,0,0]=4 302 B17R2.261 NNc1ccccc1Sc2cccc(c2)Cl 62a_100000241748_100000699651 [0,1,1,0,0,0|2,0,0]=4 303 B17R2.261 NNc1ccccc1Sc2cccc(c2)Cl 62a_100000699651_100000241748 [0,1,1,0,0,0|2,0,0]=4 304 B17R2.261 NNc1ccccc1Sc2cccc(c2)F 62a_100000241748_100000685547 [0,1,1,0,0,0|2,0,0]=4 305 B17R2.261 NNc1ccccc1Sc2cccc(c2)F 62a_100000685547_100000241748 [0,1,1,0,0,0|2,0,0]=4 306 B17R2.261 NNc1ccccc1Sc2cccc(c2)N 62a_100000210019_100000241748 [0,1,1,0,0,0|2,0,0]=4 307 B17R2.261 NNc1ccccc1Sc2cccc(c2)N 62a_100000241748_100000210019 [0,1,1,0,0,0|2,0,0]=4 308 B17R2.261 NNc1ccccc1Sc2cccc(c2)O 62a_100000241748_100000211634 [0,1,1,0,0,0|2,0,0]=4 309 B17R2.261 NNc1ccccc1Sc2cccc(c2)[S] 62a_100000241748_114929384022 [0,1,1,0,0,0|2,0,0]=4 310 B17R2.261 NNc1ccccc1Sc2cccc(c2)[S] 62a_114929384022_100000241748 [0,1,1,0,0,0|2,0,0]=4 311 B17R2.261 Nc1cccc(c1)Sc2ccccc2C=O 62a_100000210019_100000210073 [0,1,1,0,0,0|2,0,0]=4 312 B17R2.261 Nc1cccc(c1)Sc2ccccc2C=O 62a_100000210073_100000210019 [0,1,1,0,0,0|2,0,0]=4 313 B17R2.261 O=Cc1ccccc1Sc2cccc(c2)Br 62a_100000210073_100000691529 [0,1,1,0,0,0|2,0,0]=4 314 B17R2.261 O=Cc1ccccc1Sc2cccc(c2)Br 62a_100000691529_100000210073 [0,1,1,0,0,0|2,0,0]=4 315 B17R2.261 O=Cc1ccccc1Sc2cccc(c2)Cl 62a_100000210073_100000699651 [0,1,1,0,0,0|2,0,0]=4 316 B17R2.261 O=Cc1ccccc1Sc2cccc(c2)Cl 62a_100000699651_100000210073 [0,1,1,0,0,0|2,0,0]=4 317 B17R2.261 O=Cc1ccccc1Sc2cccc(c2)F 62a_100000210073_100000685547 [0,1,1,0,0,0|2,0,0]=4 318 B17R2.261 O=Cc1ccccc1Sc2cccc(c2)F 62a_100000685547_100000210073 [0,1,1,0,0,0|2,0,0]=4 319 B17R2.261 O=Cc1ccccc1Sc2cccc(c2)O 62a_100000210073_100000211634 [0,1,1,0,0,0|2,0,0]=4 320 B17R2.261 O=Cc1ccccc1Sc2cccc(c2)[S] 62a_100000210073_114929384022 [0,1,1,0,0,0|2,0,0]=4 321 B17R2.261 O=Cc1ccccc1Sc2cccc(c2)[S] 62a_114929384022_100000210073 [0,1,1,0,0,0|2,0,0]=4 322 B17R2.925 C=Cc1cc(ccc1Sc2ccccc2)F 62a_100000719477_100012356183 [0,1,1,0,0,0|2,0,0]=4 323 B17R2.925 C=Cc1cc(ccc1Sc2ccccc2)F 62a_100012356183_100000041952 [0,1,1,0,0,0|2,0,0]=4 324 B17R2.925 Cc1ccc(c(c1)C=O)Sc2ccccc2 62a_100000719477_100011551863 [0,1,1,0,0,0|2,0,0]=4 325 B17R2.925 Cc1ccc(c(c1)C=O)Sc2ccccc2 62a_100011551863_100000041952 [0,1,1,0,0,0|2,0,0]=4 326 B17R2.925 NCc1cc(ccc1Sc2ccccc2)F 62a_100000719477_100000742738 [0,1,1,0,0,0|1,0,1]=4 327 B17R2.925 NCc1cc(ccc1Sc2ccccc2)F 62a_100000742738_100000041952 [0,1,1,0,0,0|1,0,1]=4 328 B17R2.925 NNc1cc(ccc1Sc2ccccc2)F 62a_100000719477_100012362518 [0,1,1,0,0,0|2,0,0]=4 329 B17R2.925 NNc1cc(ccc1Sc2ccccc2)F 62a_100012362518_100000041952 [0,1,1,0,0,0|2,0,0]=4 330 B17R2.925 O=Cc1cc(ccc1Sc2ccccc2)Br 62a_100000719477_100010185651 [0,1,1,0,0,0|2,0,0]=4 331 B17R2.925 O=Cc1cc(ccc1Sc2ccccc2)Br 62a_100010185651_100000041952 [0,1,1,0,0,0|2,0,0]=4 332 B17R2.925 O=Cc1cc(ccc1Sc2ccccc2)Cl 62a_100000719477_100010254386 [0,1,1,0,0,0|2,0,0]=4 333 B17R2.925 O=Cc1cc(ccc1Sc2ccccc2)Cl 62a_100010254386_100000041952 [0,1,1,0,0,0|2,0,0]=4 334 B17R2.925 O=Cc1cc(ccc1Sc2ccccc2)F 62a_100000719477_100011218309 [0,1,1,0,0,0|2,0,0]=4 335 B17R2.925 O=Cc1cc(ccc1Sc2ccccc2)F 62a_100011218309_100000041952 [0,1,1,0,0,0|2,0,0]=4 336 B17R2.925 O=Cc1cc(ccc1Sc2ccccc2)O 62a_100000690577_100000041952 [0,1,1,0,0,0|2,0,0]=4 337 B17R2.925 O=Cc1cc(ccc1Sc2ccccc2)O 62a_100000719477_100000690577 [0,1,1,0,0,0|2,0,0]=4 338 B17R2.1066 C=C(c1ccccc1)c2ccccc2C=O 271570a_100000068269_100000211189 [0,1,1,0,0,0|2,0,0]=4 339 B17R2.1066 C=C(c1ccccc1)c2ccccc2CN 271570a_100000068269_100000689332 [0,1,1,0,0,0|1,0,1]=4 340 B17R2.1066 C=C(c1ccccc1)c2ccccc2NN 271570a_100000068269_100000241748 [0,1,1,0,0,0|2,0,0]=4 341 B17R2.1066 C=Cc1ccccc1C(=O)c2ccccc2 271570a_100011290941_100000198044 [0,1,1,0,0,0|2,0,0]=4 342 B17R2.1066 C=Cc1ccccc1C(N)c2ccccc2 271570a_100011290941_100011211563 [0,1,1,0,0,0|2,0,0]=4 343 B17R2.1349 C=Cc1ccc(cc1Sc2ccccc2)F 62a_100000719477_100012354420 [0,1,1,0,0,0|2,0,0]=4 344 B17R2.1349 C=Cc1ccc(cc1Sc2ccccc2)F 62a_100012354420_100000041952 [0,1,1,0,0,0|2,0,0]=4 345 B17R2.1349 Cc1ccc(c(c1)Sc2ccccc2)C=O 62a_100000719477_100011935181 [0,1,1,0,0,0|2,0,0]=4 346 B17R2.1349 Cc1ccc(c(c1)Sc2ccccc2)C=O 62a_100011935181_100000041952 [0,1,1,0,0,0|2,0,0]=4 347 B17R2.1349 Cc1ccc(c(c1)Sc2ccccc2)NN 62a_100000719477_100016996181 [0,1,1,0,0,0|2,0,0]=4 348 B17R2.1349 Cc1ccc(c(c1)Sc2ccccc2)NN 62a_100016996181_100000041952 [0,1,1,0,0,0|2,0,0]=4 349 B17R2.1349 NCc1ccc(cc1Sc2ccccc2)F 62a_100000708791_100000041952 [0,1,1,0,0,0|1,0,1]=4 350 B17R2.1349 NCc1ccc(cc1Sc2ccccc2)F 62a_100000719477_100000708791 [0,1,1,0,0,0|1,0,1]=4 351 B17R2.1349 O=Cc1ccc(cc1Sc2ccccc2)Br 62a_100000719477_100010146562 [0,1,1,0,0,0|2,0,0]=4 352 B17R2.1349 O=Cc1ccc(cc1Sc2ccccc2)Br 62a_100010146562_100000041952 [0,1,1,0,0,0|2,0,0]=4 353 B17R2.1349 O=Cc1ccc(cc1Sc2ccccc2)F 62a_100000719477_100000752949 [0,1,1,0,0,0|2,0,0]=4 354 B17R2.1349 O=Cc1ccc(cc1Sc2ccccc2)F 62a_100000752949_100000041952 [0,1,1,0,0,0|2,0,0]=4 355 B17R2.1349 O=Cc1ccc(cc1Sc2ccccc2)O 62a_100000719477_100011236494 [0,1,1,0,0,0|2,0,0]=4 356 B17R2.1349 O=Cc1ccc(cc1Sc2ccccc2)O 62a_100011236494_100000041952 [0,1,1,0,0,0|2,0,0]=4 357 B17R2.1470 C=Cc1ccccc1Sc2ccccc2C 62a_100000210755_100011218376 [0,1,1,0,0,0|2,0,0]=4 358 B17R2.1470 C=Cc1ccccc1Sc2ccccc2C 62a_100011218376_100000210755 [0,1,1,0,0,0|2,0,0]=4 359 B17R2.1470 C=Cc1ccccc1Sc2ccccc2F 62a_100011215700_100011218376 [0,1,1,0,0,0|2,0,0]=4 360 B17R2.1470 C=Cc1ccccc1Sc2ccccc2F 62a_100011218376_100011215700 [0,1,1,0,0,0|2,0,0]=4 361 B17R2.1470 C=Cc1ccccc1Sc2ccccc2N 62a_100000210017_100011218376 [0,1,1,0,0,0|2,0,0]=4 362 B17R2.1470 C=Cc1ccccc1Sc2ccccc2N 62a_100011218376_100000210017 [0,1,1,0,0,0|2,0,0]=4 363 B17R2.1470 C=Cc1ccccc1Sc2ccccc2O 62a_100000739446_100011218376 [0,1,1,0,0,0|2,0,0]=4 364 B17R2.1470 C=Cc1ccccc1Sc2ccccc2O 62a_100011218376_100000739446 [0,1,1,0,0,0|2,0,0]=4 365 B17R2.1470 Cc1ccccc1Sc2ccccc2C=O 62a_100000210073_100000210755 [0,1,1,0,0,0|2,0,0]=4 366 B17R2.1470 Cc1ccccc1Sc2ccccc2C=O 62a_100000210755_100000210073 [0,1,1,0,0,0|2,0,0]=4 367 B17R2.1470 Cc1ccccc1Sc2ccccc2CN 62a_100000210755_100000689332 [0,1,1,0,0,0|1,0,1]=4 368 B17R2.1470 Cc1ccccc1Sc2ccccc2CN 62a_100000689332_100000210755 [0,1,1,0,0,0|1,0,1]=4 369 B17R2.1470 Cc1ccccc1Sc2ccccc2NN 62a_100000210755_100000241748 [0,1,1,0,0,0|2,0,0]=4 370 B17R2.1470 Cc1ccccc1Sc2ccccc2NN 62a_100000241748_100000210755 [0,1,1,0,0,0|2,0,0]=4 371 B17R2.1470 NCc1ccccc1Sc2ccccc2Br 62a_100000689332_100000695589 [0,1,1,0,0,0|1,0,1]=4 372 B17R2.1470 NCc1ccccc1Sc2ccccc2Br 62a_100000695589_100000689332 [0,1,1,0,0,0|1,0,1]=4 373 B17R2.1470 NCc1ccccc1Sc2ccccc2Cl 62a_100000689332_100000764095 [0,1,1,0,0,0|1,0,1]=4 374 B17R2.1470 NCc1ccccc1Sc2ccccc2Cl 62a_100000764095_100000689332 [0,1,1,0,0,0|1,0,1]=4 375 B17R2.1470 NCc1ccccc1Sc2ccccc2F 62a_100000689332_100011215700 [0,1,1,0,0,0|1,0,1]=4 376 B17R2.1470 NCc1ccccc1Sc2ccccc2F 62a_100011215700_100000689332 [0,1,1,0,0,0|1,0,1]=4 377 B17R2.1470 NCc1ccccc1Sc2ccccc2N 62a_100000210017_100000689332 [0,1,1,0,0,0|1,0,1]=4 378 B17R2.1470 NCc1ccccc1Sc2ccccc2N 62a_100000689332_100000210017 [0,1,1,0,0,0|1,0,1]=4 379 B17R2.1470 NCc1ccccc1Sc2ccccc2O 62a_100000689332_100000739446 [0,1,1,0,0,0|1,0,1]=4 380 B17R2.1470 NCc1ccccc1Sc2ccccc2O 62a_100000739446_100000689332 [0,1,1,0,0,0|1,0,1]=4 381 B17R2.1470 NNc1ccccc1Sc2ccccc2Br 62a_100000241748_100000695589 [0,1,1,0,0,0|2,0,0]=4 382 B17R2.1470 NNc1ccccc1Sc2ccccc2Br 62a_100000695589_100000241748 [0,1,1,0,0,0|2,0,0]=4 383 B17R2.1470 NNc1ccccc1Sc2ccccc2Cl 62a_100000241748_100000764095 [0,1,1,0,0,0|2,0,0]=4 384 B17R2.1470 NNc1ccccc1Sc2ccccc2Cl 62a_100000764095_100000241748 [0,1,1,0,0,0|2,0,0]=4 385 B17R2.1470 NNc1ccccc1Sc2ccccc2F 62a_100000241748_100011215700 [0,1,1,0,0,0|2,0,0]=4 386 B17R2.1470 NNc1ccccc1Sc2ccccc2F 62a_100011215700_100000241748 [0,1,1,0,0,0|2,0,0]=4 387 B17R2.1470 NNc1ccccc1Sc2ccccc2N 62a_100000210017_100000241748 [0,1,1,0,0,0|2,0,0]=4 388 B17R2.1470 NNc1ccccc1Sc2ccccc2N 62a_100000241748_100000210017 [0,1,1,0,0,0|2,0,0]=4 389 B17R2.1470 NNc1ccccc1Sc2ccccc2O 62a_100000241748_100000739446 [0,1,1,0,0,0|2,0,0]=4 390 B17R2.1470 NNc1ccccc1Sc2ccccc2O 62a_100000739446_100000241748 [0,1,1,0,0,0|2,0,0]=4 391 B17R2.1470 Nc1ccccc1Sc2ccccc2C=O 62a_100000210017_100000210073 [0,1,1,0,0,0|2,0,0]=4 392 B17R2.1470 Nc1ccccc1Sc2ccccc2C=O 62a_100000210073_100000210017 [0,1,1,0,0,0|2,0,0]=4 393 B17R2.1470 O=Cc1ccccc1Sc2ccccc2Br 62a_100000210073_100000695589 [0,1,1,0,0,0|2,0,0]=4 394 B17R2.1470 O=Cc1ccccc1Sc2ccccc2Br 62a_100000695589_100000210073 [0,1,1,0,0,0|2,0,0]=4 395 B17R2.1470 O=Cc1ccccc1Sc2ccccc2Cl 62a_100000210073_100000764095 [0,1,1,0,0,0|2,0,0]=4 396 B17R2.1470 O=Cc1ccccc1Sc2ccccc2Cl 62a_100000764095_100000210073 [0,1,1,0,0,0|2,0,0]=4 397 B17R2.1470 O=Cc1ccccc1Sc2ccccc2F 62a_100000210073_100011215700 [0,1,1,0,0,0|2,0,0]=4 398 B17R2.1470 O=Cc1ccccc1Sc2ccccc2F 62a_100011215700_100000210073 [0,1,1,0,0,0|2,0,0]=4 399 B17R2.1470 O=Cc1ccccc1Sc2ccccc2O 62a_100000210073_100000739446 [0,1,1,0,0,0|2,0,0]=4 400 B17R2.1470 O=Cc1ccccc1Sc2ccccc2O 62a_100000739446_100000210073 [0,1,1,0,0,0|2,0,0]=4 401 B17R2.1791 Cc1cccc(c1Sc2ccccc2)C=O 62a_100000719477_100012186367 [0,1,1,0,0,0|2,0,0]=4 402 B17R2.1791 Cc1cccc(c1Sc2ccccc2)C=O 62a_100012186367_100000041952 [0,1,1,0,0,0|2,0,0]=4 403 B17R2.1791 NCc1cccc(c1Sc2ccccc2)F 62a_100000719477_100020638964 [0,1,1,0,0,0|1,0,1]=4 404 B17R2.1791 NCc1cccc(c1Sc2ccccc2)F 62a_100020638964_100000041952 [0,1,1,0,0,0|1,0,1]=4 405 B17R2.1791 O=Cc1cccc(c1Sc2ccccc2)F 62a_100000719477_100011934749 [0,1,1,0,0,0|2,0,0]=4 406 B17R2.1791 O=Cc1cccc(c1Sc2ccccc2)F 62a_100011934749_100000041952 [0,1,1,0,0,0|2,0,0]=4 407 B17R2.1791 O=Cc1cccc(c1Sc2ccccc2)O 62a_100000719477_100009816417 [0,1,1,0,0,0|2,0,0]=4 408 B17R2.1791 O=Cc1cccc(c1Sc2ccccc2)O 62a_100009816417_100000041952 [0,1,1,0,0,0|2,0,0]=4 409 B17R2.2357 C=Cc1ccccc1Oc2ccc(cc2)F 271570a_100011290941_200010782033 [0,1,1,0,0,0|2,0,0]=4 410 B17R2.2357 C=Cc1ccccc1Sc2ccc(cc2)C 62a_100000186775_100011218376 [0,1,1,0,0,0|2,0,0]=4 411 B17R2.2357 C=Cc1ccccc1Sc2ccc(cc2)C 62a_100011218376_100000186775 [0,1,1,0,0,0|2,0,0]=4 412 B17R2.2357 C=Cc1ccccc1Sc2ccc(cc2)F 62a_100000211213_100011218376 [0,1,1,0,0,0|2,0,0]=4 413 B17R2.2357 C=Cc1ccccc1Sc2ccc(cc2)F 62a_100011218376_100000211213 [0,1,1,0,0,0|2,0,0]=4 414 B17R2.2357 C=Cc1ccccc1Sc2ccc(cc2)N 62a_100000185761_100011218376 [0,1,1,0,0,0|2,0,0]=4 415 B17R2.2357 C=Cc1ccccc1Sc2ccc(cc2)N 62a_100011218376_100000185761 [0,1,1,0,0,0|2,0,0]=4 416 B17R2.2357 C=Cc1ccccc1Sc2ccc(cc2)O 62a_100011218376_100000185759 [0,1,1,0,0,0|2,0,0]=4 417 B17R2.2357 Cc1ccc(cc1)Sc2ccccc2C=O 62a_100000186775_100000210073 [0,1,1,0,0,0|2,0,0]=4 418 B17R2.2357 Cc1ccc(cc1)Sc2ccccc2C=O 62a_100000210073_100000186775 [0,1,1,0,0,0|2,0,0]=4 419 B17R2.2357 Cc1ccc(cc1)Sc2ccccc2CN 62a_100000186775_100000689332 [0,1,1,0,0,0|1,0,1]=4 420 B17R2.2357 Cc1ccc(cc1)Sc2ccccc2CN 62a_100000689332_100000186775 [0,1,1,0,0,0|1,0,1]=4 421 B17R2.2357 Cc1ccc(cc1)Sc2ccccc2NN 62a_100000186775_100000241748 [0,1,1,0,0,0|2,0,0]=4 422 B17R2.2357 Cc1ccc(cc1)Sc2ccccc2NN 62a_100000241748_100000186775 [0,1,1,0,0,0|2,0,0]=4 423 B17R2.2357 NCc1ccccc1Sc2ccc(cc2)Br 62a_100000689332_100000752885 [0,1,1,0,0,0|1,0,1]=4 424 B17R2.2357 NCc1ccccc1Sc2ccc(cc2)Br 62a_100000752885_100000689332 [0,1,1,0,0,0|1,0,1]=4 425 B17R2.2357 NCc1ccccc1Sc2ccc(cc2)Cl 62a_100000689332_100000755918 [0,1,1,0,0,0|1,0,1]=4 426 B17R2.2357 NCc1ccccc1Sc2ccc(cc2)Cl 62a_100000755918_100000689332 [0,1,1,0,0,0|1,0,1]=4 427 B17R2.2357 NCc1ccccc1Sc2ccc(cc2)F 62a_100000211213_100000689332 [0,1,1,0,0,0|1,0,1]=4 428 B17R2.2357 NCc1ccccc1Sc2ccc(cc2)F 62a_100000689332_100000211213 [0,1,1,0,0,0|1,0,1]=4 429 B17R2.2357 NCc1ccccc1Sc2ccc(cc2)N 62a_100000185761_100000689332 [0,1,1,0,0,0|1,0,1]=4 430 B17R2.2357 NCc1ccccc1Sc2ccc(cc2)N 62a_100000689332_100000185761 [0,1,1,0,0,0|1,0,1]=4 431 B17R2.2357 NCc1ccccc1Sc2ccc(cc2)O 62a_100000689332_100000185759 [0,1,1,0,0,0|1,0,1]=4 432 B17R2.2357 NNc1ccccc1Sc2ccc(cc2)Br 62a_100000241748_100000752885 [0,1,1,0,0,0|2,0,0]=4 433 B17R2.2357 NNc1ccccc1Sc2ccc(cc2)Br 62a_100000752885_100000241748 [0,1,1,0,0,0|2,0,0]=4 434 B17R2.2357 NNc1ccccc1Sc2ccc(cc2)Cl 62a_100000241748_100000755918 [0,1,1,0,0,0|2,0,0]=4 435 B17R2.2357 NNc1ccccc1Sc2ccc(cc2)Cl 62a_100000755918_100000241748 [0,1,1,0,0,0|2,0,0]=4 436 B17R2.2357 NNc1ccccc1Sc2ccc(cc2)F 62a_100000211213_100000241748 [0,1,1,0,0,0|2,0,0]=4 437 B17R2.2357 NNc1ccccc1Sc2ccc(cc2)F 62a_100000241748_100000211213 [0,1,1,0,0,0|2,0,0]=4 438 B17R2.2357 NNc1ccccc1Sc2ccc(cc2)N 62a_100000185761_100000241748 [0,1,1,0,0,0|2,0,0]=4 439 B17R2.2357 NNc1ccccc1Sc2ccc(cc2)N 62a_100000241748_100000185761 [0,1,1,0,0,0|2,0,0]=4 440 B17R2.2357 NNc1ccccc1Sc2ccc(cc2)O 62a_100000241748_100000185759 [0,1,1,0,0,0|2,0,0]=4 441 B17R2.2357 Nc1ccc(cc1)Sc2ccccc2C=O 62a_100000185761_100000210073 [0,1,1,0,0,0|2,0,0]=4 442 B17R2.2357 Nc1ccc(cc1)Sc2ccccc2C=O 62a_100000210073_100000185761 [0,1,1,0,0,0|2,0,0]=4 443 B17R2.2357 O=Cc1ccccc1Sc2ccc(cc2)Br 62a_100000210073_100000752885 [0,1,1,0,0,0|2,0,0]=4 444 B17R2.2357 O=Cc1ccccc1Sc2ccc(cc2)Br 62a_100000752885_100000210073 [0,1,1,0,0,0|2,0,0]=4 445 B17R2.2357 O=Cc1ccccc1Sc2ccc(cc2)Cl 62a_100000210073_100000755918 [0,1,1,0,0,0|2,0,0]=4 446 B17R2.2357 O=Cc1ccccc1Sc2ccc(cc2)Cl 62a_100000755918_100000210073 [0,1,1,0,0,0|2,0,0]=4 447 B17R2.2357 O=Cc1ccccc1Sc2ccc(cc2)F 62a_100000210073_100000211213 [0,1,1,0,0,0|2,0,0]=4 448 B17R2.2357 O=Cc1ccccc1Sc2ccc(cc2)F 62a_100000211213_100000210073 [0,1,1,0,0,0|2,0,0]=4 449 B17R2.2357 O=Cc1ccccc1Sc2ccc(cc2)O 62a_100000210073_100000185759 [0,1,1,0,0,0|2,0,0]=4 450 B17R2.5618 C=C(C)c1ccccc1Cc2ccccc2 271570a_100000694244_200011216382 [0,1,1,0,0,0|2,0,0]=4 451 B17R2.5618 C=C(C)c1ccccc1Oc2ccccc2 271570a_100000694244_100000049502 [0,1,1,0,0,0|2,0,0]=4 452 B17R2.5618 CC(=O)c1ccccc1Cc2ccccc2 1458a_100000211042_200000210301 [0,1,1,0,0,0|2,0,0]=4 453 B17R2.5618 CC(=O)c1ccccc1Oc2ccccc2 1458a_100000185727_200000210301 [0,1,1,0,0,0|2,0,0]=4 454 B17R2.5618 CC(=O)c1ccccc1Sc2ccccc2 1458a_100000187566_200000210301 [0,1,1,0,0,0|2,0,0]=4 455 B17R2.5618 CC(=O)c1ccccc1Sc2ccccc2 62a_100000751169_100000041952 [0,1,1,0,0,0|2,0,0]=4 456 B17R2.5618 CC(=O)c1ccccc1[I+]c2ccccc2 1458a_100015188722_200000210301 [0,1,1,0,0,0|2,0,0]=4 457 B17R2.5618 CC(N)c1ccccc1Sc2ccccc2 62a_100000181357_100000041952 [0,1,1,0,0,0|1,0,1]=4 458 B17R2.5618 CC(N)c1ccccc1Sc2ccccc2 62a_100000719477_100000181357 [0,1,1,0,0,0|1,0,1]=4 459 B17R2.5618 NC(=O)c1ccccc1Sc2ccccc2 62a_100000162227_100000041952 [0,1,1,0,0,0|1,0,0]=3 460 B17R2.5618 NC(=O)c1ccccc1Sc2ccccc2 62a_100000719477_100000162227 [0,1,1,0,0,0|1,0,0]=3 461 B17R2.5618 NC(=O)c1ccccc1Sc2ccccn2 62a_100000162227_100011216584 [0,1,1,0,0,0|2,0,0]=4 462 B17R2.5618 NC(=O)c1ccccc1Sc2ccccn2 62a_100011216584_100000162227 [0,1,1,0,0,0|2,0,0]=4 463 B17R2.5618 NC(=O)c1ccccc1Sc2cccnc2 62a_100000162227_100000210063 [0,1,1,0,0,0|2,0,0]=4 464 B17R2.5618 NC(=O)c1ccccc1Sc2cccnc2 62a_100000210063_100000162227 [0,1,1,0,0,0|2,0,0]=4 465 B17R2.5618 NC(=O)c1ccccc1Sc2ccncc2 62a_100000162227_100000728582 [0,1,1,0,0,0|2,0,0]=4 466 B17R2.5618 NC(=O)c1ccccc1Sc2ccncc2 62a_100000728582_100000162227 [0,1,1,0,0,0|2,0,0]=4 467 B17R2.5618 NC(=O)c1cccnc1Nc2ccccc2 27a_100000106764_100000162199 [0,1,1,0,0,0|1,0,1]=4 468 B17R2.5618 NC(=O)c1cccnc1Sc2ccccc2 62a_100000162199_100000041952 [0,1,1,0,0,0|2,0,0]=4 469 B17R2.5618 NC(=O)c1cccnc1Sc2ccccc2 62a_100000719477_100000162199 [0,1,1,0,0,0|2,0,0]=4 470 B17R2.5618 NC(=O)c1ccncc1Sc2ccccc2 62a_100000719477_100010205435 [0,1,1,0,0,0|2,0,0]=4 471 B17R2.5618 NC(=O)c1ccncc1Sc2ccccc2 62a_100010205435_100000041952 [0,1,1,0,0,0|2,0,0]=4 472 B17R2.5618 NC(=O)c1cnccc1Nc2ccccc2 27a_100000106764_100000697804 [0,1,1,0,0,0|1,0,1]=4 473 B17R2.5618 NC(=O)c1cnccc1Sc2ccccc2 62a_100000697804_100000041952 [0,1,1,0,0,0|2,0,0]=4 474 B17R2.5618 NC(=O)c1cnccc1Sc2ccccc2 62a_100000719477_100000697804 [0,1,1,0,0,0|2,0,0]=4 475 B17R2.5618 NC(=O)c1ncccc1Nc2ccccc2 27a_100000106764_200012359670 [0,1,1,0,0,0|1,0,1]=4 476 B17R2.5618 NC(=O)c1ncccc1Sc2ccccc2 62a_100000719477_200012359670 [0,1,1,0,0,0|2,0,0]=4 477 B17R2.5618 NC(=O)c1ncccc1Sc2ccccc2 62a_200012359670_100000041952 [0,1,1,0,0,0|2,0,0]=4 478 B17R2.5618 O=C(O)c1ccccc1Sc2ccccc2 62a_100000719477_100000734275 [0,1,1,0,0,0|2,0,0]=4 479 B17R2.5618 O=C(O)c1ccccc1Sc2ccccc2 62a_202125556159_100000041952 [0,1,1,0,0,0|2,0,0]=4 480 B17R2.5618 [13CH3]C(=O)c1ccccc1Cc2ccccc2 1458a_100000211042_200025704644 [0,1,1,0,0,0|2,0,0]=4 481 B17R2.5618 [13CH3]C(=O)c1ccccc1Oc2ccccc2 1458a_100000185727_200025704644 [0,1,1,0,0,0|2,0,0]=4 482 B17R2.5618 [13CH3]C(=O)c1ccccc1Sc2ccccc2 1458a_100000187566_200025704644 [0,1,1,0,0,0|2,0,0]=4 483 B17R2.5618 [13CH3]C(=O)c1ccccc1[I+]c2ccccc2 1458a_100015188722_200025704644 [0,1,1,0,0,0|2,0,0]=4 484 B17R2.12072 C/C=C/CSc1cc(c2ccccc2n1)N 62a_100010197925_100102629194 [0,1,1,0,0,0|0,0,2]=4 485 B17R2.12072 C=CCCSc1cc(c2ccccc2n1)N 62a_100010197925_100000754431 [0,1,1,0,0,0|0,0,2]=4 486 B17R2.12072 CC=CCSc1cc(c2ccccc2n1)N 62a_100010197925_100000070051 [0,1,1,0,0,0|0,0,2]=4 487 B17R2.12072 CCCC=Cc1cc(c2ccccc2n1)N 271570a_100016258520_100010197925 [0,1,1,0,0,0|0,0,2]=4 488 B17R2.12072 CCOC=Cc1cc(c2ccccc2n1)N 271570a_100016256518_100010197925 [0,1,1,0,0,0|0,0,2]=4 489 B17R2.12072 COCC=Cc1cc(c2ccccc2n1)N 271570a_100016286323_100010197925 [0,1,1,0,0,0|0,0,2]=4 490 B17R2.40403 C=C(C)CSc1cc(c2ccccc2n1)N 62a_100010197925_100000211660 [0,1,1,0,0,0|1,0,1]=4 491 B17R2.40403 C=C(F)CSc1cc(c2ccccc2n1)N 62a_100010197925_100000042424 [0,1,1,0,0,0|1,0,1]=4 492 B17R2.40403 CC(C)C=Cc1cc(c2ccccc2n1)N 271570a_100016257149_100010197925 [0,1,1,0,0,0|0,0,2]=4 493 B17R2.40403 CC(O)C=Cc1cc(c2ccccc2n1)N 271570a_200011019289_100010197925 [0,1,1,0,0,0|0,0,2]=4 494 B17R2.2708 C/C=C/CSc1cnc2ccccc2c1N 62a_100009995562_100102629194 [0,1,1,0,0,0|0,0,2]=4 495 B17R2.2708 C/C=C/CSc1cnc2ccccc2c1N 62a_100102629194_100009995562 [0,1,1,0,0,0|0,0,2]=4 496 B17R2.2708 C=CCCSc1cnc2ccccc2c1N 62a_100000754431_100009995562 [0,1,1,0,0,0|0,0,2]=4 497 B17R2.2708 C=CCCSc1cnc2ccccc2c1N 62a_100009995562_100000754431 [0,1,1,0,0,0|0,0,2]=4 498 B17R2.2708 CC=CCSc1cnc2ccccc2c1N 62a_100000070051_100009995562 [0,1,1,0,0,0|0,0,2]=4 499 B17R2.2708 CC=CCSc1cnc2ccccc2c1N 62a_100009995562_100000070051 [0,1,1,0,0,0|0,0,2]=4 500 B17R2.2708 CCCC=Cc1cnc2ccccc2c1N 271570a_100016258520_100009995562 [0,1,1,0,0,0|0,0,2]=4 501 B17R2.2708 CCOC=Cc1cnc2ccccc2c1N 271570a_100016256518_100009995562 [0,1,1,0,0,0|0,0,2]=4 502 B17R2.2708 COCC=Cc1cnc2ccccc2c1N 271570a_100016286323_100009995562 [0,1,1,0,0,0|0,0,2]=4 503 B17R2.7413 C=CC(C)Sc1cnc2ccccc2c1N 62a_100011215867_100009995562 [0,1,1,0,0,0|1,0,1]=4 504 B17R2.155580 C=C(C)CSc1cnc2ccccc2c1N 62a_100000748629_100009995562 [0,1,1,0,0,0|1,0,1]=4 505 B17R2.155580 C=C(C)CSc1cnc2ccccc2c1N 62a_100009995562_100000211660 [0,1,1,0,0,0|1,0,1]=4 506 B17R2.155580 C=C(F)CSc1cnc2ccccc2c1N 62a_100000042424_100009995562 [0,1,1,0,0,0|1,0,1]=4 507 B17R2.155580 C=C(F)CSc1cnc2ccccc2c1N 62a_100009995562_100000042424 [0,1,1,0,0,0|1,0,1]=4 508 B17R2.155580 CC(C)C=Cc1cnc2ccccc2c1N 271570a_100016257149_100009995562 [0,1,1,0,0,0|0,0,2]=4 509 B17R2.155580 CC(O)C=Cc1cnc2ccccc2c1N 271570a_200011019289_100009995562 [0,1,1,0,0,0|0,0,2]=4 510 B17R2.381 C=C(c1ccc(cc1)C)c2ccccc2Br 271570a_100010895218_100000695589 [0,1,1,0,0,0|2,0,0]=4 511 B17R2.381 C=C(c1ccc(cc1)C)c2ccccc2C 271570a_100010895218_100000210755 [0,1,1,0,0,0|2,0,0]=4 512 B17R2.381 C=C(c1ccc(cc1)C)c2ccccc2Cl 271570a_100010895218_100000764095 [0,1,1,0,0,0|2,0,0]=4 513 B17R2.381 C=C(c1ccc(cc1)C)c2ccccc2F 271570a_100010895218_100011215700 [0,1,1,0,0,0|2,0,0]=4 514 B17R2.381 C=C(c1ccc(cc1)C)c2ccccc2N 271570a_100010895218_100000210017 [0,1,1,0,0,0|1,0,1]=4 515 B17R2.381 C=C(c1ccc(cc1)C)c2ccccc2O 271570a_100010895218_100000739446 [0,1,1,0,0,0|2,0,0]=4 516 B17R2.381 C=C(c1ccc(cc1)Cl)c2ccccc2C 271570a_100010171417_100000210755 [0,1,1,0,0,0|2,0,0]=4 517 B17R2.381 C=C(c1ccc(cc1)Cl)c2ccccc2F 271570a_100010171417_100011215700 [0,1,1,0,0,0|2,0,0]=4 518 B17R2.381 C=C(c1ccc(cc1)Cl)c2ccccc2N 271570a_100010171417_100000210017 [0,1,1,0,0,0|1,0,1]=4 519 B17R2.381 C=C(c1ccc(cc1)Cl)c2ccccc2O 271570a_100010171417_100000739446 [0,1,1,0,0,0|2,0,0]=4 520 B17R2.381 C=C(c1ccc(cc1)F)c2ccccc2Br 271570a_100000068270_100000695589 [0,1,1,0,0,0|2,0,0]=4 521 B17R2.381 C=C(c1ccc(cc1)F)c2ccccc2C 271570a_100000068270_100000210755 [0,1,1,0,0,0|2,0,0]=4 522 B17R2.381 C=C(c1ccc(cc1)F)c2ccccc2Cl 271570a_100000068270_100000764095 [0,1,1,0,0,0|2,0,0]=4 523 B17R2.381 C=C(c1ccc(cc1)F)c2ccccc2F 271570a_100000068270_100011215700 [0,1,1,0,0,0|2,0,0]=4 524 B17R2.381 C=C(c1ccc(cc1)F)c2ccccc2N 271570a_100000068270_100000210017 [0,1,1,0,0,0|1,0,1]=4 525 B17R2.381 C=C(c1ccc(cc1)F)c2ccccc2O 271570a_100000068270_100000739446 [0,1,1,0,0,0|2,0,0]=4 526 B17R2.381 Cc1ccccc1C(=O)c2ccc(cc2)O 271570a_203496583355_200011267734 [0,1,1,0,0,0|2,0,0]=4 527 B17R2.381 Nc1ccccc1C(=O)c2ccc(cc2)O 271570a_203496583355_100012047229 [0,1,1,0,0,0|1,0,1]=4 528 B17R2.381 O=C(c1ccc(cc1)F)c2ccccc2O 271570a_203496583355_100011267497 [0,1,1,0,0,0|2,0,0]=4 529 B17R2.2274 CNC(c1ccccc1)c2ccccc2Br 2230a_100011211563_200000210301 [0,1,1,0,0,0|1,0,1]=4 530 B17R2.2274 CNC(c1ccccc1)c2ccccc2Br 270004a_106832991635_100000198044 [0,1,1,0,0,0|1,0,1]=4 531 B17R2.2274 CNC(c1ccccc1)c2ccccc2Br 34a_100011211563_200000210301 [0,1,1,0,0,0|1,0,1]=4 532 B17R2.2274 CNC(c1ccccc1)c2ccccc2C 2230a_100000222801_200000210301 [0,1,1,0,0,0|1,0,1]=4 533 B17R2.2274 CNC(c1ccccc1)c2ccccc2C 2230a_106832991635_100000230135 [0,1,1,0,0,0|1,0,1]=4 534 B17R2.2274 CNC(c1ccccc1)c2ccccc2C 270004a_106832991635_100000735561 [0,1,1,0,0,0|1,0,1]=4 535 B17R2.2274 CNC(c1ccccc1)c2ccccc2C 34a_100000222801_200000210301 [0,1,1,0,0,0|1,0,1]=4 536 B17R2.2274 CNC(c1ccccc1)c2ccccc2C 7a_106832991635_100000230135 [0,1,1,0,0,0|1,0,1]=4 537 B17R2.2274 CNC(c1ccccc1)c2ccccc2Cl 270004a_106832991635_100011215288 [0,1,1,0,0,0|1,0,1]=4 538 B17R2.2274 CNC(c1ccccc1)c2ccccc2F 270004a_106832991635_100011217773 [0,1,1,0,0,0|1,0,1]=4 539 B17R2.2274 Cc1ccccc1C(N[13CH3])c2ccccc2 2230a_100000222801_200025704644 [0,1,1,0,0,0|1,0,1]=4 540 B17R2.2274 Cc1ccccc1C(N[13CH3])c2ccccc2 34a_100000222801_200025704644 [0,1,1,0,0,0|1,0,1]=4 541 B17R2.2274 [13CH3]NC(c1ccccc1)c2ccccc2Br 2230a_100011211563_200025704644 [0,1,1,0,0,0|1,0,1]=4 542 B17R2.2274 [13CH3]NC(c1ccccc1)c2ccccc2Br 34a_100011211563_200025704644 [0,1,1,0,0,0|1,0,1]=4 543 B17R2.5268 C=C(c1ccccc1)c2c(cccc2Br)F 271570a_100000068269_100011219512 [0,1,1,0,0,0|2,0,0]=4 544 B17R2.5268 C=C(c1ccccc1)c2c(cccc2Br)N 271570a_100000068269_100020590159 [0,1,1,0,0,0|1,0,1]=4 545 B17R2.5268 C=C(c1ccccc1)c2c(cccc2Br)O 271570a_100000068269_100010187912 [0,1,1,0,0,0|2,0,0]=4 546 B17R2.5268 C=C(c1ccccc1)c2c(cccc2C)C 271570a_100000068269_100000033847 [0,1,1,0,0,0|2,0,0]=4 547 B17R2.5268 C=C(c1ccccc1)c2c(cccc2Cl)C 271570a_100000068269_100000043165 [0,1,1,0,0,0|2,0,0]=4 548 B17R2.5268 C=C(c1ccccc1)c2c(cccc2Cl)F 271570a_100000068269_100000050007 [0,1,1,0,0,0|2,0,0]=4 549 B17R2.5268 C=C(c1ccccc1)c2c(cccc2Cl)N 271570a_100000068269_100000049713 [0,1,1,0,0,0|1,0,1]=4 550 B17R2.5268 C=C(c1ccccc1)c2c(cccc2Cl)O 271570a_100000068269_100000050174 [0,1,1,0,0,0|2,0,0]=4 551 B17R2.5268 C=C(c1ccccc1)c2c(cccc2F)C 271570a_100000068269_100012349962 [0,1,1,0,0,0|2,0,0]=4 552 B17R2.5268 C=C(c1ccccc1)c2c(cccc2F)F 271570a_100000068269_100000693133 [0,1,1,0,0,0|2,0,0]=4 553 B17R2.5268 C=C(c1ccccc1)c2c(cccc2F)N 271570a_100000068269_100011934729 [0,1,1,0,0,0|1,0,1]=4 554 B17R2.5268 C=C(c1ccccc1)c2c(cccc2F)O 271570a_100000068269_100009820682 [0,1,1,0,0,0|2,0,0]=4 555 B17R2.5268 C=C(c1ccccc1)c2c(cccc2N)C 271570a_100000068269_100000684715 [0,1,1,0,0,0|1,0,1]=4 556 B17R2.5268 C=C(c1ccccc1)c2c(cccc2O)C 271570a_100000068269_100000686692 [0,1,1,0,0,0|2,0,0]=4 557 B17R2.5268 C=C(c1ccccc1)c2c(cccc2O)N 271570a_100000068269_100012183704 [0,1,1,0,0,0|1,0,1]=4 558 B17R2.5268 C=C(c1ccccc1)c2c(cccc2O)O 271570a_100000068269_100010205330 [0,1,1,0,0,0|2,0,0]=4 559 B17R2.5305 C=C(c1ccccc1)c2cccc(c2Br)O 271570a_100000068269_100010187914 [0,1,1,0,0,0|2,0,0]=4 560 B17R2.5305 C=C(c1ccccc1)c2cccc(c2C)Br 271570a_100000068269_100012353703 [0,1,1,0,0,0|2,0,0]=4 561 B17R2.5305 C=C(c1ccccc1)c2cccc(c2C)C 271570a_100000068269_100011214922 [0,1,1,0,0,0|2,0,0]=4 562 B17R2.5305 C=C(c1ccccc1)c2cccc(c2C)Cl 271570a_100000068269_100000726075 [0,1,1,0,0,0|2,0,0]=4 563 B17R2.5305 C=C(c1ccccc1)c2cccc(c2C)F 271570a_100000068269_100011216893 [0,1,1,0,0,0|2,0,0]=4 564 B17R2.5305 C=C(c1ccccc1)c2cccc(c2C)N 271570a_100000068269_100000761887 [0,1,1,0,0,0|2,0,0]=4 565 B17R2.5305 C=C(c1ccccc1)c2cccc(c2C)O 271570a_100000068269_100012002258 [0,1,1,0,0,0|2,0,0]=4 566 B17R2.5305 C=C(c1ccccc1)c2cccc(c2Cl)C 271570a_100000068269_200012352035 [0,1,1,0,0,0|2,0,0]=4 567 B17R2.5305 C=C(c1ccccc1)c2cccc(c2Cl)F 271570a_100000068269_200010234923 [0,1,1,0,0,0|2,0,0]=4 568 B17R2.5305 C=C(c1ccccc1)c2cccc(c2Cl)O 271570a_100000068269_100000049636 [0,1,1,0,0,0|2,0,0]=4 569 B17R2.5305 C=C(c1ccccc1)c2cccc(c2F)Br 271570a_100000068269_100000702267 [0,1,1,0,0,0|2,0,0]=4 570 B17R2.5305 C=C(c1ccccc1)c2cccc(c2F)C 271570a_100000068269_100000717567 [0,1,1,0,0,0|2,0,0]=4 571 B17R2.5305 C=C(c1ccccc1)c2cccc(c2F)Cl 271570a_100000068269_100011217346 [0,1,1,0,0,0|2,0,0]=4 572 B17R2.5305 C=C(c1ccccc1)c2cccc(c2F)F 271570a_100000068269_100000694657 [0,1,1,0,0,0|2,0,0]=4 573 B17R2.5305 C=C(c1ccccc1)c2cccc(c2F)N 271570a_100000068269_100011935091 [0,1,1,0,0,0|2,0,0]=4 574 B17R2.5305 C=C(c1ccccc1)c2cccc(c2F)O 271570a_100000068269_100009817021 [0,1,1,0,0,0|2,0,0]=4 575 B17R2.5305 C=C(c1ccccc1)c2cccc(c2N)Br 271570a_100000068269_100010146558 [0,1,1,0,0,0|1,0,1]=4 576 B17R2.5305 C=C(c1ccccc1)c2cccc(c2N)C 271570a_100000068269_100011834072 [0,1,1,0,0,0|1,0,1]=4 577 B17R2.5305 C=C(c1ccccc1)c2cccc(c2N)Cl 271570a_100000068269_100010190421 [0,1,1,0,0,0|1,0,1]=4 578 B17R2.5305 C=C(c1ccccc1)c2cccc(c2N)F 271570a_100000068269_100000042321 [0,1,1,0,0,0|1,0,1]=4 579 B17R2.5305 C=C(c1ccccc1)c2cccc(c2N)N 271570a_100000068269_100015191791 [0,1,1,0,0,0|1,0,1]=4 580 B17R2.5305 C=C(c1ccccc1)c2cccc(c2N)O 271570a_100000068269_100011934926 [0,1,1,0,0,0|1,0,1]=4 581 B17R2.5305 C=C(c1ccccc1)c2cccc(c2O)Br 271570a_100000068269_100010084509 [0,1,1,0,0,0|2,0,0]=4 582 B17R2.5305 C=C(c1ccccc1)c2cccc(c2O)C 271570a_100000068269_100009817157 [0,1,1,0,0,0|2,0,0]=4 583 B17R2.5305 C=C(c1ccccc1)c2cccc(c2O)Cl 271570a_100000068269_100010202889 [0,1,1,0,0,0|2,0,0]=4 584 B17R2.5305 C=C(c1ccccc1)c2cccc(c2O)F 271570a_100000068269_100009813666 [0,1,1,0,0,0|2,0,0]=4 585 B17R2.5305 C=C(c1ccccc1)c2cccc(c2O)N 271570a_100000068269_100011934915 [0,1,1,0,0,0|2,0,0]=4 586 B17R2.5305 C=C(c1ccccc1)c2cccc(c2O)O 271570a_100000068269_100009815950 [0,1,1,0,0,0|2,0,0]=4 587 B17R2.5356 C=C(c1ccccc1)c2cc(ccc2Br)C 271570a_100000068269_100012353751 [0,1,1,0,0,0|2,0,0]=4 588 B17R2.5356 C=C(c1ccccc1)c2cc(ccc2Br)F 271570a_100000068269_100011217576 [0,1,1,0,0,0|2,0,0]=4 589 B17R2.5356 C=C(c1ccccc1)c2cc(ccc2Br)N 271570a_100000068269_100000750459 [0,1,1,0,0,0|2,0,0]=4 590 B17R2.5356 C=C(c1ccccc1)c2cc(ccc2Br)O 271570a_100000068269_100012339312 [0,1,1,0,0,0|2,0,0]=4 591 B17R2.5356 C=C(c1ccccc1)c2cc(ccc2C)Br 271570a_100000068269_100011344865 [0,1,1,0,0,0|2,0,0]=4 592 B17R2.5356 C=C(c1ccccc1)c2cc(ccc2C)C 271570a_100000068269_100000210833 [0,1,1,0,0,0|2,0,0]=4 593 B17R2.5356 C=C(c1ccccc1)c2cc(ccc2C)Cl 271570a_100000068269_100011263213 [0,1,1,0,0,0|2,0,0]=4 594 B17R2.5356 C=C(c1ccccc1)c2cc(ccc2C)F 271570a_100000068269_100011218078 [0,1,1,0,0,0|2,0,0]=4 595 B17R2.5356 C=C(c1ccccc1)c2cc(ccc2C)N 271570a_100000068269_100000736455 [0,1,1,0,0,0|2,0,0]=4 596 B17R2.5356 C=C(c1ccccc1)c2cc(ccc2C)O 271570a_100000068269_100011380479 [0,1,1,0,0,0|2,0,0]=4 597 B17R2.5356 C=C(c1ccccc1)c2cc(ccc2Cl)C 271570a_100000068269_100012356289 [0,1,1,0,0,0|2,0,0]=4 598 B17R2.5356 C=C(c1ccccc1)c2cc(ccc2Cl)F 271570a_100000068269_100011217299 [0,1,1,0,0,0|2,0,0]=4 599 B17R2.5356 C=C(c1ccccc1)c2cc(ccc2Cl)N 271570a_100000068269_100012360549 [0,1,1,0,0,0|2,0,0]=4 600 B17R2.5356 C=C(c1ccccc1)c2cc(ccc2Cl)O 271570a_100000068269_100000049588 [0,1,1,0,0,0|2,0,0]=4 601 B17R2.5356 C=C(c1ccccc1)c2cc(ccc2F)Br 271570a_100000068269_100011217312 [0,1,1,0,0,0|2,0,0]=4 602 B17R2.5356 C=C(c1ccccc1)c2cc(ccc2F)C 271570a_100000068269_100000736223 [0,1,1,0,0,0|2,0,0]=4 603 B17R2.5356 C=C(c1ccccc1)c2cc(ccc2F)Cl 271570a_100000068269_100011218116 [0,1,1,0,0,0|2,0,0]=4 604 B17R2.5356 C=C(c1ccccc1)c2cc(ccc2F)F 271570a_100000068269_100000750033 [0,1,1,0,0,0|2,0,0]=4 605 B17R2.5356 C=C(c1ccccc1)c2cc(ccc2F)N 271570a_100000068269_100000760356 [0,1,1,0,0,0|2,0,0]=4 606 B17R2.5356 C=C(c1ccccc1)c2cc(ccc2F)O 271570a_100000068269_100000693481 [0,1,1,0,0,0|2,0,0]=4 607 B17R2.5356 C=C(c1ccccc1)c2cc(ccc2N)Br 271570a_100000068269_100000187925 [0,1,1,0,0,0|1,0,1]=4 608 B17R2.5356 C=C(c1ccccc1)c2cc(ccc2N)C 271570a_100000068269_100000210942 [0,1,1,0,0,0|1,0,1]=4 609 B17R2.5356 C=C(c1ccccc1)c2cc(ccc2N)Cl 271570a_100000068269_100000761889 [0,1,1,0,0,0|1,0,1]=4 610 B17R2.5356 C=C(c1ccccc1)c2cc(ccc2N)F 271570a_100000068269_100000760547 [0,1,1,0,0,0|1,0,1]=4 611 B17R2.5356 C=C(c1ccccc1)c2cc(ccc2N)N 271570a_100000068269_100011534242 [0,1,1,0,0,0|1,0,1]=4 612 B17R2.5356 C=C(c1ccccc1)c2cc(ccc2N)O 271570a_100000068269_100012001276 [0,1,1,0,0,0|1,0,1]=4 613 B17R2.5356 C=C(c1ccccc1)c2cc(ccc2O)Br 271570a_100000068269_100012355227 [0,1,1,0,0,0|2,0,0]=4 614 B17R2.5356 C=C(c1ccccc1)c2cc(ccc2O)C 271570a_100000068269_100000765521 [0,1,1,0,0,0|2,0,0]=4 615 B17R2.5356 C=C(c1ccccc1)c2cc(ccc2O)Cl 271570a_100000068269_100011356953 [0,1,1,0,0,0|2,0,0]=4 616 B17R2.5356 C=C(c1ccccc1)c2cc(ccc2O)F 271570a_100000068269_100000211999 [0,1,1,0,0,0|2,0,0]=4 617 B17R2.5356 C=C(c1ccccc1)c2cc(ccc2O)N 271570a_100000068269_100011534360 [0,1,1,0,0,0|2,0,0]=4 618 B17R2.5356 C=C(c1ccccc1)c2cc(ccc2O)O 271570a_100000068269_100009813629 [0,1,1,0,0,0|2,0,0]=4 619 B17R2.5356 Nc1ccc(cc1C(=O)c2ccccc2)O 271570a_203496583355_100000186189 [0,1,1,0,0,0|1,0,1]=4 620 B17R2.5356 O=C(c1ccccc1)c2cc(ccc2O)O 271570a_203496583355_200011217964 [0,1,1,0,0,0|2,0,0]=4 621 B17R2.5362 C=C(c1ccccc1)c2ccc(cc2Br)C 271570a_100000068269_100009813563 [0,1,1,0,0,0|2,0,0]=4 622 B17R2.5362 C=C(c1ccccc1)c2ccc(cc2Br)F 271570a_100000068269_100011217111 [0,1,1,0,0,0|2,0,0]=4 623 B17R2.5362 C=C(c1ccccc1)c2ccc(cc2Br)N 271570a_100000068269_100000750458 [0,1,1,0,0,0|2,0,0]=4 624 B17R2.5362 C=C(c1ccccc1)c2ccc(cc2Br)O 271570a_100000068269_100000701344 [0,1,1,0,0,0|2,0,0]=4 625 B17R2.5362 C=C(c1ccccc1)c2ccc(cc2C)Br 271570a_100000068269_100000701812 [0,1,1,0,0,0|2,0,0]=4 626 B17R2.5362 C=C(c1ccccc1)c2ccc(cc2C)C 271570a_100000068269_100011217332 [0,1,1,0,0,0|2,0,0]=4 627 B17R2.5362 C=C(c1ccccc1)c2ccc(cc2C)Cl 271570a_100000068269_100011219607 [0,1,1,0,0,0|2,0,0]=4 628 B17R2.5362 C=C(c1ccccc1)c2ccc(cc2C)F 271570a_100000068269_100011205405 [0,1,1,0,0,0|2,0,0]=4 629 B17R2.5362 C=C(c1ccccc1)c2ccc(cc2C)N 271570a_100000068269_100000210723 [0,1,1,0,0,0|2,0,0]=4 630 B17R2.5362 C=C(c1ccccc1)c2ccc(cc2C)O 271570a_100000068269_100000729255 [0,1,1,0,0,0|2,0,0]=4 631 B17R2.5362 C=C(c1ccccc1)c2ccc(cc2Cl)C 271570a_100000068269_100011263221 [0,1,1,0,0,0|2,0,0]=4 632 B17R2.5362 C=C(c1ccccc1)c2ccc(cc2Cl)F 271570a_100000068269_100000733362 [0,1,1,0,0,0|2,0,0]=4 633 B17R2.5362 C=C(c1ccccc1)c2ccc(cc2Cl)N 271570a_100000068269_100000761885 [0,1,1,0,0,0|2,0,0]=4 634 B17R2.5362 C=C(c1ccccc1)c2ccc(cc2Cl)O 271570a_100000068269_100000047559 [0,1,1,0,0,0|2,0,0]=4 635 B17R2.5362 C=C(c1ccccc1)c2ccc(cc2F)Br 271570a_100000068269_100009814013 [0,1,1,0,0,0|2,0,0]=4 636 B17R2.5362 C=C(c1ccccc1)c2ccc(cc2F)C 271570a_100000068269_100011216119 [0,1,1,0,0,0|2,0,0]=4 637 B17R2.5362 C=C(c1ccccc1)c2ccc(cc2F)Cl 271570a_100000068269_100011216042 [0,1,1,0,0,0|2,0,0]=4 638 B17R2.5362 C=C(c1ccccc1)c2ccc(cc2F)F 271570a_100000068269_100000750030 [0,1,1,0,0,0|2,0,0]=4 639 B17R2.5362 C=C(c1ccccc1)c2ccc(cc2F)N 271570a_100000068269_100011356925 [0,1,1,0,0,0|2,0,0]=4 640 B17R2.5362 C=C(c1ccccc1)c2ccc(cc2F)O 271570a_100000068269_100000755031 [0,1,1,0,0,0|2,0,0]=4 641 B17R2.5362 C=C(c1ccccc1)c2ccc(cc2N)Br 271570a_100000068269_100000743836 [0,1,1,0,0,0|1,0,1]=4 642 B17R2.5362 C=C(c1ccccc1)c2ccc(cc2N)C 271570a_100000068269_100011216686 [0,1,1,0,0,0|1,0,1]=4 643 B17R2.5362 C=C(c1ccccc1)c2ccc(cc2N)Cl 271570a_100000068269_100000761886 [0,1,1,0,0,0|1,0,1]=4 644 B17R2.5362 C=C(c1ccccc1)c2ccc(cc2N)F 271570a_100000068269_100011218093 [0,1,1,0,0,0|1,0,1]=4 645 B17R2.5362 C=C(c1ccccc1)c2ccc(cc2N)N 271570a_100000068269_200012175722 [0,1,1,0,0,0|1,0,1]=4 646 B17R2.5362 C=C(c1ccccc1)c2ccc(cc2N)O 271570a_100000068269_100011999798 [0,1,1,0,0,0|1,0,1]=4 647 B17R2.5362 C=C(c1ccccc1)c2ccc(cc2O)Br 271570a_100000068269_100012344904 [0,1,1,0,0,0|2,0,0]=4 648 B17R2.5362 C=C(c1ccccc1)c2ccc(cc2O)C 271570a_100000068269_100012002257 [0,1,1,0,0,0|2,0,0]=4 649 B17R2.5362 C=C(c1ccccc1)c2ccc(cc2O)Cl 271570a_100000068269_100000050036 [0,1,1,0,0,0|2,0,0]=4 650 B17R2.5362 C=C(c1ccccc1)c2ccc(cc2O)F 271570a_100000068269_100000690578 [0,1,1,0,0,0|2,0,0]=4 651 B17R2.5362 C=C(c1ccccc1)c2ccc(cc2O)O 271570a_100000068269_100009813921 [0,1,1,0,0,0|2,0,0]=4 652 B17R2.41752 O=C(c1cccc(c1)Br)c2ccccc2O 271570a_203496583355_100010004308 [0,1,1,0,0,0|2,0,0]=4 653 B17R3.3205 Oc1ccc2c(c1)Nc3ccccc3S2 271570a_203496583355_100010988023 [1,1,0,0,0,0|1,0,1]=4 654 B17R3.3205 Oc1ccc2c(c1)Oc3ccccc3N2 271570a_203496583355_100055742941 [1,1,0,0,0,0|1,0,1]=4 655 B17R3.3205 Oc1ccc2c(c1)Oc3ccccc3O2 271570a_203496583355_100029573756 [1,1,0,0,0,0|2,0,0]=4 656 B17R3.3205 Oc1ccc2c(c1)Sc3ccccc3N2 271570a_203496583355_100010750639 [1,1,0,0,0,0|1,0,1]=4 657 B17R3.3205 Oc1ccc2cc3ccccc3cc2c1 271570a_203496583355_100010186462 [1,1,0,0,0,0|1,0,0]=3 658 B17R3.50126 Oc1cccc2c1cc3c(c2)cccc3 271570a_203496583355_100010188719 [1,1,0,0,0,0|1,0,0]=3 659 B17R3.50126 Oc1cccc2c1nc3c(n2)cccc3 271570a_203496583355_100010275551 [1,1,0,0,0,0|1,0,0]=3 660 B17R3.4408 O=C1c2ccccc2-c3c1cccc3O 271570a_203496583355_100010741556 [0,1,0,0,1,0|1,0,0]=3 661 B17R3.31713 Cn1c2ccccc2c3c1ccc(c3)O 271570a_203496583355_100009996057 [0,1,0,0,1,0|2,0,0]=4 662 B17R3.31713 O=C1c2ccccc2-c3c1ccc(c3)O 271570a_203496583355_100010293230 [0,1,0,0,1,0|1,0,0]=3 663 B17R3.31819 O=C1c2ccccc2-c3c1cc(cc3)O 271570a_203496583355_100009812156 [0,1,0,0,1,0|1,0,0]=3 664 B17R3.51174 O=C1c2ccccc2-c3c1c(ccc3)O 271570a_203496583355_100010704374 [0,1,0,0,1,0|1,0,0]=3 665 B17R3.182920 CNC1c2ccccc2-c3c1cccc3 2230a_100000104097_200000210301 [0,1,0,0,1,0|0,0,1]=3 666 B17R3.182920 CNC1c2ccccc2-c3c1cccc3 2230a_106832991635_100000211598 [0,1,0,0,1,0|0,0,1]=3 667 B17R3.182920 CNC1c2ccccc2-c3c1cccc3 7a_106832991635_100000211598 [0,1,0,0,1,0|0,0,1]=3 668 B17R3.182920 COC1c2ccccc2-c3c1cccc3 7a_100000211495_200000210301 [0,1,0,0,1,0|1,0,1]=4 669 B17R3.182920 CSC1c2ccccc2-c3c1cccc3 62a_100000211598_200000210301 [0,1,0,0,1,0|1,0,1]=4 670 B17R3.182920 [13CH3]NC1c2ccccc2-c3c1cccc3 2230a_100000104097_200025704644 [0,1,0,0,1,0|0,0,1]=3 671 B17R3.182920 [13CH3]OC1c2ccccc2-c3c1cccc3 7a_100000211495_200025704644 [0,1,0,0,1,0|1,0,1]=4 672 B17R3.182920 [13CH3]SC1c2ccccc2-c3c1cccc3 62a_100000211598_200025704644 [0,1,0,0,1,0|1,0,1]=4 673 B19R3.1757189 CNC1c2ccccc2CCc3c1cccc3 2230a_106832991635_100000031795 [0,1,0,0,0,1|1,0,1]=4 674 B19R3.1757189 CNC1c2ccccc2CCc3c1cccc3 7a_106832991635_100000031795 [0,1,0,0,0,1|1,0,1]=4 675 B19R3.152782 O=C1c2ccccc2C(=O)c3c1cccc3O 271570a_203496583355_200020679463 [0,2,0,0,0,0|2,0,0]=4 676 B19R3.169429 O=C1c2ccccc2C(=O)c3c1ccc(c3)O 271570a_203496583355_100015189355 [0,2,0,0,0,0|2,0,0]=4 677 B19R3.306295 C=Cc1ccc2oc3ccccc3c(=O)c2c1 271570a_100011290941_100009992456 [0,2,0,0,0,0|2,0,0]=4 678 B19R3.306295 C=Cc1ccc2sc3ccccc3c(=O)c2c1 271570a_100011290941_100009992697 [0,2,0,0,0,0|2,0,0]=4 679 B19R3.306295 COc1ccc2sc3ccccc3c(=O)c2c1 7a_100010262261_200000210301 [0,2,0,0,0,0|2,0,0]=4 680 B19R3.306295 [13CH3]Oc1ccc2sc3ccccc3c(=O)c2c1 7a_100010262261_200025704644 [0,2,0,0,0,0|2,0,0]=4 681 B19R3.1757536 N#Cc1c2ccccc2nc3c1cc(cc3)O 271570a_203496583355_100160470826 [0,2,0,0,0,0|0,0,1]=3 682 B19R3.287252 C=Cc1ccc2c(=O)c3ccccc3oc2c1 271570a_100011290941_200010272296 [0,2,0,0,0,0|2,0,0]=4 683 B19R3.287252 C=Cc1ccc2c(=O)c3ccccc3sc2c1 271570a_100011290941_100036596064 [0,2,0,0,0,0|2,0,0]=4 684 B19R3.287252 COc1ccc2c(=O)c3ccccc3oc2c1 7a_100000066237_200000210301 [0,2,0,0,0,0|2,0,0]=4 685 B19R3.287252 [13CH3]Oc1ccc2c(=O)c3ccccc3oc2c1 7a_100000066237_200025704644 [0,2,0,0,0,0|2,0,0]=4 686 B19R3.109688 C=C=Cc1c2ccccc2cc3c1cccc3 271570a_100015277604_100000185772 [0,2,0,0,0,0|2,0,0]=4 687 B19R3.109688 C=C=Cc1c2ccccc2nc3c1cccc3 271570a_100015277604_100000044299 [0,2,0,0,0,0|1,0,0]=3 688 B19R3.109688 CC=Cc1c2ccccc2nc3c1cccc3 271570a_100016259895_100000044299 [0,2,0,0,0,0|1,0,0]=3 689 B19R3.109688 CCNC1c2ccccc2Oc3c1cccc3 2230a_200000704616_100000210202 [0,2,0,0,0,0|1,0,1]=4 690 B19R3.109688 CCNc1c2ccccc2cc3c1cccc3 34a_100009882017_100000210202 [0,2,0,0,0,0|1,0,0]=3 691 B19R3.109688 CCSc1c2ccccc2nc3c1cccc3 62a_100000044299_100000210202 [0,2,0,0,0,0|1,0,0]=3 692 B19R3.109688 CNCc1c2ccccc2cc3c1cccc3 207a_100102657272_100000261405 [0,2,0,0,0,0|1,0,0]=3 693 B19R3.109688 CNCc1c2ccccc2cc3c1cccc3 2230a_106832991635_100009992879 [0,2,0,0,0,0|1,0,0]=3 694 B19R3.109688 CNCc1c2ccccc2cc3c1cccc3 270004a_106832991635_100000261405 [0,2,0,0,0,0|1,0,0]=3 695 B19R3.109688 CNCc1c2ccccc2cc3c1cccc3 34a_100102657272_100009992879 [0,2,0,0,0,0|1,0,0]=3 696 B19R3.109688 CNCc1c2ccccc2cc3c1cccc3 7a_106832991635_100009992879 [0,2,0,0,0,0|1,0,0]=3 697 B19R3.109688 CNCc1c2ccccc2nc3c1cccc3 2230a_106832991635_100009813545 [0,2,0,0,0,0|0,0,0]=2 698 B19R3.109688 CNCc1c2ccccc2nc3c1cccc3 7a_106832991635_100009813545 [0,2,0,0,0,0|0,0,0]=2 699 B19R3.109688 COCc1c2ccccc2cc3c1cccc3 34a_100000025838_200000210301 [0,2,0,0,0,0|2,0,0]=4 700 B19R3.109688 COCc1c2ccccc2cc3c1cccc3 34a_100138415774_100009992879 [0,2,0,0,0,0|2,0,0]=4 701 B19R3.109688 COCc1c2ccccc2cc3c1cccc3 7a_100000025838_200000210301 [0,2,0,0,0,0|2,0,0]=4 702 B19R3.109688 CSCc1c2ccccc2cc3c1cccc3 62a_100009992879_200000210301 [0,2,0,0,0,0|2,0,0]=4 703 B19R3.109688 CSCc1c2ccccc2cc3c1cccc3 62a_200000210301_100009992879 [0,2,0,0,0,0|2,0,0]=4 704 B19R3.109688 CSCc1c2ccccc2nc3c1cccc3 62a_100009813545_200000210301 [0,2,0,0,0,0|1,0,0]=3 705 B19R3.109688 FCNc1c2ccccc2cc3c1cccc3 34a_100009882017_100015361967 [0,2,0,0,0,0|1,0,0]=3 706 B19R3.109688 FCSc1c2ccccc2nc3c1cccc3 62a_100000044299_100015361967 [0,2,0,0,0,0|1,0,0]=3 707 B19R3.109688 [13CH3]OCc1c2ccccc2cc3c1cccc3 34a_100000025838_200025704644 [0,2,0,0,0,0|2,0,0]=4 708 B19R3.109688 [13CH3]OCc1c2ccccc2cc3c1cccc3 7a_100000025838_200025704644 [0,2,0,0,0,0|2,0,0]=4 709 B19R3.109688 [13CH3]SCc1c2ccccc2cc3c1cccc3 62a_100009992879_200025704644 [0,2,0,0,0,0|2,0,0]=4 710 B19R3.109688 [13CH3]SCc1c2ccccc2cc3c1cccc3 62a_200025704644_100009992879 [0,2,0,0,0,0|2,0,0]=4 711 B19R3.109688 [13CH3]SCc1c2ccccc2nc3c1cccc3 62a_100009813545_200025704644 [0,2,0,0,0,0|1,0,0]=3 712 B19R3.629728 C=C(C)c1c2ccccc2nc3c1cccc3 271570a_100000694244_100000044299 [0,2,0,0,0,0|1,0,0]=3 713 B19R3.629728 CC(=O)c1c2ccccc2cc3c1cccc3 1458a_100000610644_200000210301 [0,2,0,0,0,0|2,0,0]=4 714 B19R3.629728 [13CH3]C(=O)c1c2ccccc2cc3c1cccc3 1458a_100000610644_200025704644 [0,2,0,0,0,0|2,0,0]=4 715 B19R3.6137085 O=Cc1c2ccccc2c(c3c1cccc3)O 271570a_203496583355_100000490474 [0,2,0,0,0,0|2,0,0]=4 716 B17R3.633 C=Cc1cccc2c1[nH]c3c2cccc3 271570a_100011290941_100010159381 [0,0,1,1,0,0|1,0,1]=4 717 B17R3.633 C=Cc1cccc2c1oc3c2cccc3 271570a_100011290941_100009831572 [0,0,1,1,0,0|2,0,0]=4 718 B17R3.633 C=Cc1cccc2c1sc3c2cccc3 271570a_100011290941_100009993974 [0,0,1,1,0,0|2,0,0]=4 719 B17R3.54615 Oc1cc2ccccc2c3c1cccc3 271570a_203496583355_100009813645 [0,0,1,1,0,0|2,0,0]=4 720 B17R3.865 C=Cc1nc2ccccc2c3c1cco3 271570a_100011290941_200010025853 [0,0,1,1,0,0|1,0,0]=3 721 B15R2.21 C#Cc1ccccc1c2ccccc2 271570a_100000099761_100000210277 [0,0,1,0,1,0|1,0,1]=4 722 B15R2.21 C=Cc1ccccc1c2ccccc2 271570a_100000037480_100000210277 [0,0,1,0,1,0|1,0,0]=3 723 B15R2.21 C=Cc1ccccc1c2ccccc2 271570a_100011290941_100000033479 [0,0,1,0,1,0|1,0,0]=3 724 B15R2.21 C=Cc1ccccc1c2ccccn2 271570a_100000037480_100011216584 [0,0,1,0,1,0|2,0,0]=4 725 B15R2.21 C=Cc1ccccc1c2ccccn2 271570a_100011290941_100010202516 [0,0,1,0,1,0|2,0,0]=4 726 B15R2.21 C=Cc1ccccc1c2cccnc2 271570a_100000037480_100000752921 [0,0,1,0,1,0|2,0,0]=4 727 B15R2.21 C=Cc1ccccc1c2ccncc2 271570a_100000037480_100000035832 [0,0,1,0,1,0|2,0,0]=4 728 B15R2.21 C=Cc1ccccc1c2ccncc2 271570a_100011290941_100010154595 [0,0,1,0,1,0|2,0,0]=4 729 B15R2.21 C=Cc1cccnc1c2ccccc2 271570a_100011290941_100010138707 [0,0,1,0,1,0|2,0,0]=4 730 B15R2.21 C=Cc1cnccc1c2ccccc2 271570a_100011290941_100009816686 [0,0,1,0,1,0|2,0,0]=4 731 B15R2.21 CCc1ccccc1c2ccccc2 271570a_100011216252_100000210277 [0,0,1,0,1,0|1,0,1]=4 732 B15R2.21 CCc1ccccc1c2ccccc2 271570a_100011218836_100011215823 [0,0,1,0,1,0|1,0,1]=4 733 B15R2.21 CNc1ccccc1c2ccccc2 271570a_100011218836_100020606079 [0,0,1,0,1,0|2,0,0]=4 734 B15R2.21 CNc1ccccc1c2ccccc2 34a_100000210918_200000210301 [0,0,1,0,1,0|2,0,0]=4 735 B15R2.21 COc1ccccc1c2ccccc2 271570a_100000756652_100000210277 [0,0,1,0,1,0|2,0,0]=4 736 B15R2.21 COc1ccccc1c2ccccc2 271570a_100011218836_100000174000 [0,0,1,0,1,0|2,0,0]=4 737 B15R2.21 COc1ccccc1c2ccccc2 34a_100000210297_200000210301 [0,0,1,0,1,0|2,0,0]=4 738 B15R2.21 COc1ccccc1c2ccccc2 7a_100000210297_200000210301 [0,0,1,0,1,0|2,0,0]=4 739 B15R2.21 CSc1ccccc1c2ccccc2 271570a_100011218165_100000210277 [0,0,1,0,1,0|2,0,0]=4 740 B15R2.21 CSc1ccccc1c2ccccc2 271570a_100011218836_100011217816 [0,0,1,0,1,0|2,0,0]=4 741 B15R2.21 CSc1ccccc1c2ccccc2 62a_100000033479_200000210301 [0,0,1,0,1,0|2,0,0]=4 742 B15R2.21 CSc1ccccc1c2ccccc2 62a_200000210301_100000033479 [0,0,1,0,1,0|2,0,0]=4 743 B15R2.21 N#Cc1ccccc1c2ccccc2 271570a_100000043008_100000210277 [0,0,1,0,1,0|0,0,2]=4 744 B15R2.21 N#Cc1ccccc1c2ccccc2 271570a_100011218836_100000188569 [0,0,1,0,1,0|0,0,2]=4 745 B15R2.21 NCc1ccccc1c2ccccc2 271570a_100011218836_100000689332 [0,0,1,0,1,0|0,0,1]=3 746 B15R2.21 NCc1ccccc1c2ccccc2 271570a_100020632975_100000210277 [0,0,1,0,1,0|0,0,1]=3 747 B15R2.21 NCc1ccccc1c2ccccn2 271570a_100011264011_100000689332 [0,0,1,0,1,0|1,0,1]=4 748 B15R2.21 NCc1ccccc1c2ccccn2 271570a_100020632975_100011216584 [0,0,1,0,1,0|1,0,1]=4 749 B15R2.21 NCc1ccccc1c2cccnc2 271570a_100000757648_100000689332 [0,0,1,0,1,0|1,0,1]=4 750 B15R2.21 NCc1ccccc1c2cccnc2 271570a_100020632975_100000752921 [0,0,1,0,1,0|1,0,1]=4 751 B15R2.21 NCc1ccccc1c2ccncc2 271570a_100000752145_100000689332 [0,0,1,0,1,0|1,0,1]=4 752 B15R2.21 NCc1ccccc1c2ccncc2 271570a_100020632975_100000035832 [0,0,1,0,1,0|1,0,1]=4 753 B15R2.21 NCc1cccnc1c2ccccc2 271570a_100011218836_100015189234 [0,0,1,0,1,0|1,0,1]=4 754 B15R2.21 NCc1ccncc1c2ccccc2 271570a_100011218836_100020640021 [0,0,1,0,1,0|1,0,1]=4 755 B15R2.21 NCc1ncccc1c2ccccc2 271570a_100011218836_100020591323 [0,0,1,0,1,0|1,0,1]=4 756 B15R2.21 NNc1ccccc1c2ccccc2 271570a_100011218836_100000241748 [0,0,1,0,1,0|1,0,0]=3 757 B15R2.21 NNc1ccccc1c2ccccn2 271570a_100011264011_100000241748 [0,0,1,0,1,0|2,0,0]=4 758 B15R2.21 NNc1ccccc1c2cccnc2 271570a_100000757648_100000241748 [0,0,1,0,1,0|2,0,0]=4 759 B15R2.21 NNc1ccccc1c2ccncc2 271570a_100000752145_100000241748 [0,0,1,0,1,0|2,0,0]=4 760 B15R2.21 NNc1ccncc1c2ccccc2 271570a_100011218836_100013404636 [0,0,1,0,1,0|2,0,0]=4 761 B15R2.21 NNc1ncccc1c2ccccc2 271570a_100011218836_100011464834 [0,0,1,0,1,0|2,0,0]=4 762 B15R2.21 O=Cc1ccccc1c2ccccc2 271570a_100000740022_100000210277 [0,0,1,0,1,0|1,0,0]=3 763 B15R2.21 O=Cc1ccccc1c2ccccc2 271570a_100011218836_100000211189 [0,0,1,0,1,0|1,0,0]=3 764 B15R2.21 O=Cc1ccccc1c2ccccn2 271570a_100000740022_100011216584 [0,0,1,0,1,0|2,0,0]=4 765 B15R2.21 O=Cc1ccccc1c2ccccn2 271570a_100011264011_100000211189 [0,0,1,0,1,0|2,0,0]=4 766 B15R2.21 O=Cc1ccccc1c2cccnc2 271570a_100000740022_100000752921 [0,0,1,0,1,0|2,0,0]=4 767 B15R2.21 O=Cc1ccccc1c2cccnc2 271570a_100000757648_100000211189 [0,0,1,0,1,0|2,0,0]=4 768 B15R2.21 O=Cc1ccccc1c2ccncc2 271570a_100000740022_100000035832 [0,0,1,0,1,0|2,0,0]=4 769 B15R2.21 O=Cc1ccccc1c2ccncc2 271570a_100000752145_100000211189 [0,0,1,0,1,0|2,0,0]=4 770 B15R2.21 O=Cc1cccnc1c2ccccc2 271570a_100011218836_100009816751 [0,0,1,0,1,0|2,0,0]=4 771 B15R2.21 O=Cc1ccncc1c2ccccc2 271570a_100011218836_100011934409 [0,0,1,0,1,0|2,0,0]=4 772 B15R2.21 O=Cc1cnccc1c2ccccc2 271570a_100011218836_100000050567 [0,0,1,0,1,0|2,0,0]=4 773 B15R2.21 O=Cc1ncccc1c2ccccc2 271570a_100011218836_100011934733 [0,0,1,0,1,0|2,0,0]=4 774 B15R2.21 OCc1ccccc1c2ccccc2 271570a_100000066922_100000210277 [0,0,1,0,1,0|1,0,1]=4 775 B15R2.21 OCc1ccccc1c2ccccc2 271570a_100011218836_100000187465 [0,0,1,0,1,0|1,0,1]=4 776 B15R2.21 [13CH3]Nc1ccccc1c2ccccc2 34a_100000210918_200025704644 [0,0,1,0,1,0|2,0,0]=4 777 B15R2.21 [13CH3]Oc1ccccc1c2ccccc2 34a_100000210297_200025704644 [0,0,1,0,1,0|2,0,0]=4 778 B15R2.21 [13CH3]Oc1ccccc1c2ccccc2 7a_100000210297_200025704644 [0,0,1,0,1,0|2,0,0]=4 779 B15R2.21 [13CH3]Sc1ccccc1c2ccccc2 62a_100000033479_200025704644 [0,0,1,0,1,0|2,0,0]=4 780 B15R2.21 [13CH3]Sc1ccccc1c2ccccc2 62a_200025704644_100000033479 [0,0,1,0,1,0|2,0,0]=4 781 B17R2.262 C=Cc1ccccc1C#Cc2ccccc2 271570a_100011290941_100010200916 [0,0,1,0,0,1|2,0,0]=4 782 B17R2.262 C=Cc1ccccc1CNc2ccccc2 270302a_100000106764_200011996377 [0,0,1,0,0,1|1,0,1]=4 783 B17R2.262 C=Cc1ccccc1NCc2ccccc2 207a_100012022501_100015611070 [0,0,1,0,0,1|1,0,1]=4 784 B17R2.262 C=Cc1ccccc1NCc2ccccc2 34a_100012022501_100015291786 [0,0,1,0,0,1|1,0,1]=4 785 B17R2.262 C=Cc1ccccc1OCc2ccccc2 271570a_100011290941_100000151716 [0,0,1,0,0,1|2,0,0]=4 786 B17R2.262 C=Cc1ccccc1SCc2ccccc2 62a_100000211182_100011218376 [0,0,1,0,0,1|2,0,0]=4 787 B17R2.262 C=Cc1ccccc1SCc2ccccc2 62a_100011218376_100015291786 [0,0,1,0,0,1|2,0,0]=4 788 B17R2.262 NCc1ccccc1C#Cc2ccccc2 271570a_100000069678_100000689332 [0,0,1,0,0,1|1,0,1]=4 789 B17R2.262 NCc1ccccc1C=Cc2ccccc2 271570a_100102527694_100000689332 [0,0,1,0,0,1|1,0,1]=4 790 B17R2.262 NCc1ccccc1OCc2ccccc2 34a_100000185550_100015291786 [0,0,1,0,0,1|1,0,1]=4 791 B17R2.262 NCc1ccccc1SCc2ccccc2 62a_100000211182_100000689332 [0,0,1,0,0,1|1,0,1]=4 792 B17R2.262 NCc1ccccc1SCc2ccccc2 62a_100000689332_100015291786 [0,0,1,0,0,1|1,0,1]=4 793 B17R2.262 NNc1ccccc1C#Cc2ccccc2 271570a_100000069678_100000241748 [0,0,1,0,0,1|2,0,0]=4 794 B17R2.262 NNc1ccccc1C=Cc2ccccc2 271570a_100102527694_100000241748 [0,0,1,0,0,1|2,0,0]=4 795 B17R2.262 NNc1ccccc1SCc2ccccc2 62a_100000211182_100000241748 [0,0,1,0,0,1|2,0,0]=4 796 B17R2.262 NNc1ccccc1SCc2ccccc2 62a_100000241748_100015291786 [0,0,1,0,0,1|2,0,0]=4 797 B17R2.262 O=Cc1ccccc1C#Cc2ccccc2 271570a_100000069678_100000211189 [0,0,1,0,0,1|2,0,0]=4 798 B17R2.262 O=Cc1ccccc1C=Cc2ccccc2 271570a_100102527694_100000211189 [0,0,1,0,0,1|2,0,0]=4 799 B17R2.262 O=Cc1ccccc1CNc2ccccc2 34a_100000106764_200009853537 [0,0,1,0,0,1|1,0,1]=4 800 B17R2.262 O=Cc1ccccc1COc2ccccc2 34a_100000210340_200009853537 [0,0,1,0,0,1|2,0,0]=4 801 B17R2.262 O=Cc1ccccc1COc2ccccc2 7a_100000210340_200009853537 [0,0,1,0,0,1|2,0,0]=4 802 B17R2.262 O=Cc1ccccc1CSc2ccccc2 62a_100000719477_200009853537 [0,0,1,0,0,1|2,0,0]=4 803 B17R2.262 O=Cc1ccccc1CSc2ccccc2 62a_200009853537_100000041952 [0,0,1,0,0,1|2,0,0]=4 804 B17R2.262 O=Cc1ccccc1SCc2ccccc2 62a_100000210073_100015291786 [0,0,1,0,0,1|2,0,0]=4 805 B17R2.262 O=Cc1ccccc1SCc2ccccc2 62a_100000211182_100000210073 [0,0,1,0,0,1|2,0,0]=4 806 B17R2.3417 Cc1ccccc1C(=O)Cc2ccccc2 1458a_100000212026_100015291786 [0,0,1,0,0,1|2,0,0]=4 807 B17R2.3417 Cc1ccccc1C(=O)Nc2ccccc2 11a_100000106764_100000212026 [0,0,1,0,0,1|2,0,0]=4 808 B17R2.3417 Cc1ccccc1C(=O)Nc2ccccc2 1626a_100000106764_100000212026 [0,0,1,0,0,1|2,0,0]=4 809 B17R2.3417 Cc1ccccc1C(=O)Nc2ccccc2 22a_100000106764_100000212026 [0,0,1,0,0,1|2,0,0]=4 810 B17R2.3417 Cc1ccccc1C(=O)Nc2ccccc2 527a_100000106764_100000212026 [0,0,1,0,0,1|2,0,0]=4 811 B17R2.3417 O=C(Cc1ccccc1)c2ccccc2Br 1458a_100000188424_100015291786 [0,0,1,0,0,1|2,0,0]=4 812 B17R2.3417 O=C(Cc1ccccc1)c2ccccc2Cl 1458a_100000185844_100015291786 [0,0,1,0,0,1|2,0,0]=4 813 B17R2.3417 O=C(Cc1ccccc1)c2ccccc2F 1458a_100000188656_100015291786 [0,0,1,0,0,1|2,0,0]=4 814 B17R2.3417 O=C(Cc1ccccc1)c2ccccc2I 1458a_100000187884_100015291786 [0,0,1,0,0,1|2,0,0]=4 815 B17R2.3417 O=C(Cc1ccccc1)c2ccccc2O 1458a_100015234032_100015291786 [0,0,1,0,0,1|2,0,0]=4 816 B17R2.3417 O=C(Cc1ccccc1)c2ccccc2[O-] 1458a_100009911694_100015291786 [0,0,1,0,0,1|2,0,0]=4 817 B17R2.3417 O=C(Nc1ccccc1)c2ccccc2Br 11a_100000106764_100000188424 [0,0,1,0,0,1|2,0,0]=4 818 B17R2.3417 O=C(Nc1ccccc1)c2ccccc2Br 1626a_100000106764_100000188424 [0,0,1,0,0,1|2,0,0]=4 819 B17R2.3417 O=C(Nc1ccccc1)c2ccccc2Br 22a_100000106764_100000188424 [0,0,1,0,0,1|2,0,0]=4 820 B17R2.3417 O=C(Nc1ccccc1)c2ccccc2Br 527a_100000106764_100000188424 [0,0,1,0,0,1|2,0,0]=4 821 B17R2.3417 O=C(Nc1ccccc1)c2ccccc2Cl 11a_100000106764_100000185844 [0,0,1,0,0,1|2,0,0]=4 822 B17R2.3417 O=C(Nc1ccccc1)c2ccccc2Cl 1626a_100000106764_100000185844 [0,0,1,0,0,1|2,0,0]=4 823 B17R2.3417 O=C(Nc1ccccc1)c2ccccc2Cl 22a_100000106764_100000185844 [0,0,1,0,0,1|2,0,0]=4 824 B17R2.3417 O=C(Nc1ccccc1)c2ccccc2Cl 527a_100000106764_100000185844 [0,0,1,0,0,1|2,0,0]=4 825 B17R2.3417 O=C(Nc1ccccc1)c2ccccc2F 11a_100000106764_100000188656 [0,0,1,0,0,1|2,0,0]=4 826 B17R2.3417 O=C(Nc1ccccc1)c2ccccc2F 1626a_100000106764_100000188656 [0,0,1,0,0,1|2,0,0]=4 827 B17R2.3417 O=C(Nc1ccccc1)c2ccccc2F 22a_100000106764_100000188656 [0,0,1,0,0,1|2,0,0]=4 828 B17R2.3417 O=C(Nc1ccccc1)c2ccccc2F 527a_100000106764_100000188656 [0,0,1,0,0,1|2,0,0]=4 829 B17R2.3417 O=C(Nc1ccccc1)c2ccccc2I 11a_100000106764_100000187884 [0,0,1,0,0,1|2,0,0]=4 830 B17R2.3417 O=C(Nc1ccccc1)c2ccccc2I 1626a_100000106764_100000187884 [0,0,1,0,0,1|2,0,0]=4 831 B17R2.3417 O=C(Nc1ccccc1)c2ccccc2I 22a_100000106764_100000187884 [0,0,1,0,0,1|2,0,0]=4 832 B17R2.3417 O=C(Nc1ccccc1)c2ccccc2I 527a_100000106764_100000187884 [0,0,1,0,0,1|2,0,0]=4 833 B17R2.3417 O=C(Nc1ccccc1)c2ccccc2O 22a_100000106764_100015234032 [0,0,1,0,0,1|2,0,0]=4 834 B17R2.3417 O=C(Nc1ccccc1)c2ccccc2[O-] 1626a_100000106764_100009911694 [0,0,1,0,0,1|2,0,0]=4 835 B17R2.3417 O=C(Nc1ccccc1)c2ccccc2[O-] 22a_100000106764_100009911694 [0,0,1,0,0,1|2,0,0]=4 836 B17R2.3417 O=C(Nc1ccccc1)c2ccccc2[O-] 527a_100000106764_100009911694 [0,0,1,0,0,1|2,0,0]=4 837 B17R2.3426 Cc1ccccc1CC(=O)c2ccccc2 1458a_100000185807_100000211839 [0,0,1,0,0,1|2,0,0]=4 838 B17R2.3426 Cc1ccccc1NC(=O)c2ccccc2 11a_100015192222_100000185807 [0,0,1,0,0,1|2,0,0]=4 839 B17R2.3426 Cc1ccccc1NC(=O)c2ccccc2 1626a_100015192222_100000185807 [0,0,1,0,0,1|2,0,0]=4 840 B17R2.3426 Cc1ccccc1NC(=O)c2ccccc2 22a_100015192222_100000185807 [0,0,1,0,0,1|2,0,0]=4 841 B17R2.3426 Cc1ccccc1NC(=O)c2ccccc2 527a_100015192222_100000185807 [0,0,1,0,0,1|2,0,0]=4 842 B17R2.3426 O=C(Cc1ccccc1Br)c2ccccc2 1458a_100000185807_100000184730 [0,0,1,0,0,1|2,0,0]=4 843 B17R2.3426 O=C(Cc1ccccc1Cl)c2ccccc2 1458a_100000185807_100000187162 [0,0,1,0,0,1|2,0,0]=4 844 B17R2.3426 O=C(Cc1ccccc1F)c2ccccc2 1458a_100000185807_100000187165 [0,0,1,0,0,1|2,0,0]=4 845 B17R2.3426 O=C(Cc1ccccc1I)c2ccccc2 1458a_100000185807_100011216222 [0,0,1,0,0,1|2,0,0]=4 846 B17R2.3426 O=C(Nc1ccccc1Br)c2ccccc2 11a_100000210017_100000185807 [0,0,1,0,0,1|2,0,0]=4 847 B17R2.3426 O=C(Nc1ccccc1Br)c2ccccc2 1626a_100000210017_100000185807 [0,0,1,0,0,1|2,0,0]=4 848 B17R2.3426 O=C(Nc1ccccc1Cl)c2ccccc2 11a_100000185783_100000185807 [0,0,1,0,0,1|2,0,0]=4 849 B17R2.3426 O=C(Nc1ccccc1Cl)c2ccccc2 1626a_100000185783_100000185807 [0,0,1,0,0,1|2,0,0]=4 850 B17R2.3426 O=C(Nc1ccccc1Cl)c2ccccc2 22a_100000185783_100000185807 [0,0,1,0,0,1|2,0,0]=4 851 B17R2.3426 O=C(Nc1ccccc1Cl)c2ccccc2 527a_100000185783_100000185807 [0,0,1,0,0,1|2,0,0]=4 852 B17R2.3426 O=C(Nc1ccccc1F)c2ccccc2 11a_100000210422_100000185807 [0,0,1,0,0,1|2,0,0]=4 853 B17R2.3426 O=C(Nc1ccccc1F)c2ccccc2 1626a_100000210422_100000185807 [0,0,1,0,0,1|2,0,0]=4 854 B17R2.3426 O=C(Nc1ccccc1F)c2ccccc2 22a_100000210422_100000185807 [0,0,1,0,0,1|2,0,0]=4 855 B17R2.3426 O=C(Nc1ccccc1F)c2ccccc2 527a_100000210422_100000185807 [0,0,1,0,0,1|2,0,0]=4 856 B17R2.3426 O=C(Nc1ccccc1I)c2ccccc2 11a_100000210053_100000185807 [0,0,1,0,0,1|2,0,0]=4 857 B17R2.3426 O=C(Nc1ccccc1I)c2ccccc2 1626a_100000210053_100000185807 [0,0,1,0,0,1|2,0,0]=4 858 B17R2.3426 O=C(Nc1ccccc1O)c2ccccc2 22a_100000185747_100000185807 [0,0,1,0,0,1|2,0,0]=4 859 B17R2.3426 O=C(Nc1ccccc1O)c2ccccc2 527a_100000185747_100000185807 [0,0,1,0,0,1|2,0,0]=4