0 B14R2.95 CCC(=O)C1=CCc2c1cccc2 1458a_100000037392_100000210202 [0,0,1,0,0,0|1,0,1]=3 1 B14R2.95 CCC(=O)C1C=Cc2c1cccc2 1458a_200009832160_100000210202 [0,0,1,0,0,0|1,0,2]=4 2 B14R2.95 CCC(=O)C1CCc2c1cccc2 1458a_100000750891_100000210202 [0,0,1,0,0,0|1,0,0]=2 3 B14R2.95 CCN(C)C1CCc2c1cccc2 2230a_100000225621_200000721974 [0,0,1,0,0,0|3,0,0]=4 4 B14R2.95 CCN(C)C1CCc2c1cccc2 269982a_100000225621_200000721974 [0,0,1,0,0,0|3,0,0]=4 5 B14R2.95 CNC(=O)C1=CCc2c1cccc2 11a_106832991635_100000037392 [0,0,1,0,0,0|2,0,1]=4 6 B14R2.95 CNC(=O)C1=CCc2c1cccc2 1626a_100102657272_100000037392 [0,0,1,0,0,0|2,0,1]=4 7 B14R2.95 CNC(=O)C1=CCc2c1cccc2 240690a_100102657272_100000037392 [0,0,1,0,0,0|2,0,1]=4 8 B14R2.95 CNC(=O)C1CCc2c1cccc2 11a_106832991635_100000750891 [0,0,1,0,0,0|2,0,0]=3 9 B14R2.95 CNC(=O)C1CCc2c1cccc2 1626a_100102657272_100000750891 [0,0,1,0,0,0|2,0,0]=3 10 B14R2.95 CNC(=O)C1CCc2c1cccc2 240690a_100102657272_100000750891 [0,0,1,0,0,0|2,0,0]=3 11 B14R2.95 CNC(=O)C1CCc2c1cccc2 527a_100102657272_100000750891 [0,0,1,0,0,0|2,0,0]=3 12 B14R2.95 O=C(CF)C1=CCc2c1cccc2 1458a_100000037392_100015361967 [0,0,1,0,0,0|2,0,1]=4 13 B14R2.95 O=C(CF)C1CCc2c1cccc2 1458a_100000750891_100015361967 [0,0,1,0,0,0|2,0,0]=3 14 B14R2.203 CCC1c2ccccc2CCN1C 2230a_100000755828_200000210301 [0,0,1,0,0,0|3,0,0]=4 15 B14R2.203 CCC1c2ccccc2CCN1C 269982a_100000755828_200000210301 [0,0,1,0,0,0|3,0,0]=4 16 B14R2.203 CCC1c2ccccc2CCN1C 34a_100000755828_200000210301 [0,0,1,0,0,0|3,0,0]=4 17 B14R2.203 CCC1c2ccccc2CCN1[13CH3] 2230a_100000755828_200025704644 [0,0,1,0,0,0|3,0,0]=4 18 B14R2.203 CCC1c2ccccc2CCN1[13CH3] 269982a_100000755828_200025704644 [0,0,1,0,0,0|3,0,0]=4 19 B14R2.203 CCC1c2ccccc2CCN1[13CH3] 34a_100000755828_200025704644 [0,0,1,0,0,0|3,0,0]=4 20 B14R2.892 C#CCSc1cccc2c1NCC2 62a_100000038162_100016995435 [0,0,1,0,0,0|2,0,1]=4 21 B14R2.892 C=CCNc1cccc2c1CCC2 2230a_100000043548_100000210623 [0,0,1,0,0,0|3,0,0]=4 22 B14R2.892 C=CCNc1cccc2c1CCC2 34a_100000043548_100015514636 [0,0,1,0,0,0|3,0,0]=4 23 B14R2.892 C=CCNc1cccc2c1OCC2 2230a_100000102157_100000210623 [0,0,1,0,0,0|3,0,0]=4 24 B14R2.892 C=CCNc1cccc2c1OCC2 34a_100000102157_100015514636 [0,0,1,0,0,0|3,0,0]=4 25 B14R2.892 C=CCOc1cccc2c1CCC2 34a_100000074356_100015514636 [0,0,1,0,0,0|3,0,0]=4 26 B14R2.892 C=CCOc1cccc2c1CCC2 7a_100000074356_100015514636 [0,0,1,0,0,0|3,0,0]=4 27 B14R2.892 C=CCSc1cccc2c1CCC2 62a_100000210623_100010343934 [0,0,1,0,0,0|3,0,0]=4 28 B14R2.892 C=CCSc1cccc2c1CCC2 62a_100010343934_100000210623 [0,0,1,0,0,0|3,0,0]=4 29 B14R2.892 C=CCSc1cccc2c1NCC2 62a_100000210623_100016995435 [0,0,1,0,0,0|2,0,0]=3 30 B14R2.892 C=CCSc1cccc2c1NCC2 62a_100016995435_100000210623 [0,0,1,0,0,0|2,0,0]=3 31 B14R2.892 C=CCSc1cccc2c1OCC2 62a_100000210623_100009818991 [0,0,1,0,0,0|3,0,0]=4 32 B14R2.892 C=CCSc1cccc2c1OCC2 62a_100009818991_100000210623 [0,0,1,0,0,0|3,0,0]=4 33 B14R2.892 CCCCc1cccc2c1CCC2 271570a_100020621405_100010343934 [0,0,1,0,0,0|2,0,1]=4 34 B14R2.892 CCCCc1cccc2c1NCC2 271570a_100020621405_100016995435 [0,0,1,0,0,0|1,0,1]=3 35 B14R2.892 CCCCc1cccc2c1OCC2 271570a_100020621405_100009818991 [0,0,1,0,0,0|2,0,1]=4 36 B14R2.892 CCCSc1cccc2c1NCC2 62a_100000210303_100016995435 [0,0,1,0,0,0|2,0,1]=4 37 B14R2.892 CCCSc1cccc2c1NCC2 62a_100016995435_100000210303 [0,0,1,0,0,0|2,0,1]=4 38 B14R2.892 COCSc1cccc2c1NCC2 62a_100000766300_100016995435 [0,0,1,0,0,0|3,0,0]=4 39 B14R2.892 COCSc1cccc2c1NCC2 62a_100016995435_100000766300 [0,0,1,0,0,0|3,0,0]=4 40 B14R2.892 CSCSc1cccc2c1NCC2 62a_100011218213_100016995435 [0,0,1,0,0,0|3,0,0]=4 41 B14R2.892 CSCSc1cccc2c1NCC2 62a_100016995435_100011218213 [0,0,1,0,0,0|3,0,0]=4 42 B14R2.892 FCCSc1cccc2c1NCC2 62a_100011217306_100016995435 [0,0,1,0,0,0|2,0,1]=4 43 B14R2.892 FCCSc1cccc2c1NCC2 62a_100016995435_100011217306 [0,0,1,0,0,0|2,0,1]=4 44 B14R2.892 N#CCSc1cccc2c1NCC2 62a_100011215382_100016995435 [0,0,1,0,0,0|2,0,1]=4 45 B14R2.892 N#CCSc1cccc2c1NCC2 62a_100016995435_100011215382 [0,0,1,0,0,0|2,0,1]=4 46 B14R2.892 O=CCNc1cccc2c1CCC2 2230a_100000043548_200015260668 [0,0,1,0,0,0|2,0,0]=3 47 B14R2.892 O=CCNc1cccc2c1CCC2 34a_100000043548_200009817547 [0,0,1,0,0,0|2,0,0]=3 48 B14R2.892 O=CCNc1cccc2c1CCO2 2230a_100000084147_200015260668 [0,0,1,0,0,0|3,0,0]=4 49 B14R2.892 O=CCNc1cccc2c1CCO2 34a_100000084147_200009817547 [0,0,1,0,0,0|3,0,0]=4 50 B14R2.892 O=CCNc1cccc2c1COC2 2230a_100000125316_200015260668 [0,0,1,0,0,0|3,0,0]=4 51 B14R2.892 O=CCNc1cccc2c1COC2 34a_100000125316_200009817547 [0,0,1,0,0,0|3,0,0]=4 52 B14R2.892 O=CCNc1cccc2c1OCC2 2230a_100000102157_200015260668 [0,0,1,0,0,0|2,0,0]=3 53 B14R2.892 O=CCNc1cccc2c1OCC2 34a_100000102157_200009817547 [0,0,1,0,0,0|2,0,0]=3 54 B14R2.892 O=CCNc1cccc2c1OCO2 2230a_100000699912_200015260668 [0,0,1,0,0,0|3,0,0]=4 55 B14R2.892 O=CCNc1cccc2c1OCO2 34a_100000699912_200009817547 [0,0,1,0,0,0|3,0,0]=4 56 B14R2.892 O=CCOc1cccc2c1CCC2 34a_100000074356_200009817547 [0,0,1,0,0,0|2,0,0]=3 57 B14R2.892 O=CCOc1cccc2c1CCC2 7a_100000074356_200015260668 [0,0,1,0,0,0|2,0,0]=3 58 B14R2.892 O=CCOc1cccc2c1CCN2 34a_100000703684_200009817547 [0,0,1,0,0,0|3,0,0]=4 59 B14R2.892 O=CCOc1cccc2c1CCO2 34a_100000090053_200009817547 [0,0,1,0,0,0|3,0,0]=4 60 B14R2.892 O=CCOc1cccc2c1CCO2 7a_100000090053_200015260668 [0,0,1,0,0,0|3,0,0]=4 61 B14R2.892 O=CCOc1cccc2c1CNC2 34a_100015191671_200009817547 [0,0,1,0,0,0|3,0,0]=4 62 B14R2.892 O=CCOc1cccc2c1OCO2 34a_100000046630_200009817547 [0,0,1,0,0,0|3,0,0]=4 63 B14R2.892 O=CCOc1cccc2c1OCO2 7a_100000046630_200015260668 [0,0,1,0,0,0|3,0,0]=4 64 B14R2.892 O=CCSc1cccc2c1CCC2 62a_100010343934_200015260668 [0,0,1,0,0,0|2,0,0]=3 65 B14R2.892 O=CCSc1cccc2c1CCC2 62a_200015260668_100010343934 [0,0,1,0,0,0|2,0,0]=3 66 B14R2.892 O=CCSc1cccc2c1CCN2 62a_100009817896_200015260668 [0,0,1,0,0,0|3,0,0]=4 67 B14R2.892 O=CCSc1cccc2c1CCN2 62a_200015260668_100009817896 [0,0,1,0,0,0|3,0,0]=4 68 B14R2.892 O=CCSc1cccc2c1CCO2 62a_100009819624_200015260668 [0,0,1,0,0,0|3,0,0]=4 69 B14R2.892 O=CCSc1cccc2c1CCO2 62a_200015260668_100009819624 [0,0,1,0,0,0|3,0,0]=4 70 B14R2.892 O=CCSc1cccc2c1CNC2 62a_100000703859_200015260668 [0,0,1,0,0,0|3,0,0]=4 71 B14R2.892 O=CCSc1cccc2c1CNC2 62a_200015260668_100000703859 [0,0,1,0,0,0|3,0,0]=4 72 B14R2.892 O=CCSc1cccc2c1COC2 62a_100010384907_200015260668 [0,0,1,0,0,0|3,0,0]=4 73 B14R2.892 O=CCSc1cccc2c1COC2 62a_200015260668_100010384907 [0,0,1,0,0,0|3,0,0]=4 74 B14R2.892 O=CCSc1cccc2c1NCC2 62a_100016995435_200015260668 [0,0,1,0,0,0|1,0,0]=2 75 B14R2.892 O=CCSc1cccc2c1NCC2 62a_200015260668_100016995435 [0,0,1,0,0,0|1,0,0]=2 76 B14R2.892 O=CCSc1cccc2c1OCC2 62a_100009818991_200015260668 [0,0,1,0,0,0|2,0,0]=3 77 B14R2.892 O=CCSc1cccc2c1OCC2 62a_200015260668_100009818991 [0,0,1,0,0,0|2,0,0]=3 78 B14R2.892 O=CCSc1cccc2c1[nH]cc2 62a_200015260668_100009813418 [0,0,1,0,0,0|1,0,2]=4 79 B14R2.892 O=CCSc1cccc2c1[nH]nc2 62a_200015260668_100009816125 [0,0,1,0,0,0|2,0,1]=4 80 B14R2.892 O=CCSc1cccc2c1[nH]nn2 62a_200015260668_100009820029 [0,0,1,0,0,0|3,0,0]=4 81 B14R2.892 O=CCSc1ccnc2c1CCC2 62a_100000102697_200015260668 [0,0,1,0,0,0|3,0,0]=4 82 B14R2.892 O=CCSc1ccnc2c1CCC2 62a_200015260668_100000102697 [0,0,1,0,0,0|3,0,0]=4 83 B14R2.892 OCCSc1cccc2c1NCC2 62a_100000211926_100016995435 [0,0,1,0,0,0|1,0,2]=4 84 B14R2.892 OCCSc1cccc2c1NCC2 62a_100016995435_100000211926 [0,0,1,0,0,0|1,0,2]=4 85 B14R2.11684 C=Cc1cccc2c1CC(=O)CC2 271570a_100011290941_100010006498 [0,0,1,0,0,0|1,0,2]=4 86 B14R2.11684 CNc1cccc2c1NC(=O)CO2 2230a_100000070307_200000210301 [0,0,1,0,0,0|2,0,0]=3 87 B14R2.11684 COc1cccc2c1NC(=O)CC2 34a_100000082220_200000210301 [0,0,1,0,0,0|1,0,0]=2 88 B14R2.11684 COc1cccc2c1NC(=O)CO2 7a_100000098422_200000210301 [0,0,1,0,0,0|2,0,0]=3 89 B14R2.11684 CSc1cccc2c1CC(=O)CC2 62a_100010006498_200000210301 [0,0,1,0,0,0|2,0,0]=3 90 B14R2.11684 CSc1cccc2c1[nH]c(=O)cc2 62a_200000210301_100000688906 [0,0,1,0,0,0|1,0,2]=4 91 B14R2.11684 [13CH3]Nc1cccc2c1NC(=O)CO2 2230a_100000070307_200025704644 [0,0,1,0,0,0|2,0,0]=3 92 B14R2.11684 [13CH3]Oc1cccc2c1NC(=O)CC2 34a_100000082220_200025704644 [0,0,1,0,0,0|1,0,0]=2 93 B14R2.11684 [13CH3]Oc1cccc2c1NC(=O)CO2 7a_100000098422_200025704644 [0,0,1,0,0,0|2,0,0]=3 94 B14R2.11684 [13CH3]Sc1cccc2c1CC(=O)CC2 62a_100010006498_200025704644 [0,0,1,0,0,0|2,0,0]=3 95 B14R2.11684 [13CH3]Sc1cccc2c1[nH]c(=O)cc2 62a_200025704644_100000688906 [0,0,1,0,0,0|1,0,2]=4 96 B13R2.1 CCNC1CCc2c1cccc2 2230a_100015525214_200000721974 [1,0,1,0,0,0|2,0,0]=4 97 B13R2.1 CCNC1CCc2c1cccc2 269862a_100015525214_100000212051 [1,0,1,0,0,0|2,0,0]=4 98 B13R2.1 CCN[C@H]1CCc2c1cccc2 2230a_100016989578_100000210202 [1,0,1,0,0,0|2,0,0]=4 99 B13R2.1 CCN[C@H]1CCc2c1cccc2 34a_100016989578_100000210202 [1,0,1,0,0,0|2,0,0]=4 100 B13R2.1 CCOC1CCc2c1cccc2 34a_100000212247_100000210202 [1,0,1,0,0,0|2,0,0]=4 101 B13R2.1 CCOC1CCc2c1cccc2 7a_100000212247_100000210202 [1,0,1,0,0,0|2,0,0]=4 102 B13R2.1 CCSC1CCc2c1cccc2 62a_100000210202_200000721974 [1,0,1,0,0,0|2,0,0]=4 103 B13R2.72 CC(=O)C1=CCc2c1cccc2 1458a_100000037392_200000210301 [1,0,1,0,0,0|1,0,1]=4 104 B13R2.72 CC(=O)C1CCc2c1cccc2 1458a_100000750891_200000210301 [1,0,1,0,0,0|1,0,0]=3 105 B13R2.72 [13CH3]C(=O)C1=CCc2c1cccc2 1458a_100000037392_200025704644 [1,0,1,0,0,0|1,0,1]=4 106 B13R2.72 [13CH3]C(=O)C1CCc2c1cccc2 1458a_100000750891_200025704644 [1,0,1,0,0,0|1,0,0]=3 107 B13R2.292 C=C=Cc1cccc2c1NCC2 271570a_100015277604_100016995435 [1,0,1,0,0,0|0,0,2]=4 108 B13R2.292 CC=Cc1cccc2c1NCC2 271570a_100016259895_100016995435 [1,0,1,0,0,0|1,0,1]=4 109 B13R2.292 CCSc1cccc2c1NCC2 62a_100000210202_100016995435 [1,0,1,0,0,0|1,0,1]=4 110 B13R2.292 CCSc1cccc2c1NCC2 62a_100016995435_100000210202 [1,0,1,0,0,0|1,0,1]=4 111 B13R2.292 FCSc1cccc2c1NCC2 62a_100015361967_100016995435 [1,0,1,0,0,0|2,0,0]=4 112 B13R2.292 FCSc1cccc2c1NCC2 62a_100016995435_100015361967 [1,0,1,0,0,0|2,0,0]=4 113 B13R2.582 COc1cccc2c1C(=O)CC2 34a_100000066596_200000210301 [1,0,1,0,0,0|2,0,0]=4 114 B13R2.582 COc1cccc2c1C(=O)CC2 7a_100000066596_200000210301 [1,0,1,0,0,0|2,0,0]=4 115 B13R2.582 CSc1cccc2c1C(=O)CC2 62a_100009816781_200000210301 [1,0,1,0,0,0|2,0,0]=4 116 B13R2.582 CSc1cccc2c1C(=O)CC2 62a_200000210301_100009816781 [1,0,1,0,0,0|2,0,0]=4 117 B13R2.582 [13CH3]Oc1cccc2c1C(=O)CC2 34a_100000066596_200025704644 [1,0,1,0,0,0|2,0,0]=4 118 B13R2.582 [13CH3]Oc1cccc2c1C(=O)CC2 7a_100000066596_200025704644 [1,0,1,0,0,0|2,0,0]=4 119 B13R2.582 [13CH3]Sc1cccc2c1C(=O)CC2 62a_100009816781_200025704644 [1,0,1,0,0,0|2,0,0]=4 120 B13R2.582 [13CH3]Sc1cccc2c1C(=O)CC2 62a_200025704644_100009816781 [1,0,1,0,0,0|2,0,0]=4 121 B13R2.162 O=C1CCc2cccc(c2C1)O 271570a_203496583355_100010006498 [1,0,1,0,0,0|2,0,0]=4 122 B15R2.73 C#CCC(=O)C1CCc2c1cccc2 1458a_100000750891_100000184674 [0,1,1,0,0,0|1,0,1]=4 123 B15R2.73 C=CCC(=O)C1CCc2c1cccc2 1458a_100000750891_100000210623 [0,1,1,0,0,0|1,0,1]=4 124 B15R2.73 CCCC(=O)C1=CCc2c1cccc2 1458a_100000037392_100000210303 [0,1,1,0,0,0|1,0,1]=4 125 B15R2.73 CCCC(=O)C1CCc2c1cccc2 1458a_100000750891_100000210303 [0,1,1,0,0,0|1,0,0]=3 126 B15R2.73 CCNC(=O)C1=CCc2c1cccc2 11a_100015525214_100000037392 [0,1,1,0,0,0|1,0,1]=4 127 B15R2.73 CCNC(=O)C1=CCc2c1cccc2 240690a_100015525214_100000037392 [0,1,1,0,0,0|1,0,1]=4 128 B15R2.73 CCNC(=O)C1CCc2c1cccc2 11a_100015525214_100000750891 [0,1,1,0,0,0|1,0,0]=3 129 B15R2.73 CCNC(=O)C1CCc2c1cccc2 240690a_100015525214_100000750891 [0,1,1,0,0,0|1,0,0]=3 130 B15R2.73 CCNC(=O)C1CCc2c1cccc2 527a_100015525214_100000750891 [0,1,1,0,0,0|1,0,0]=3 131 B15R2.73 CNCC(=O)N1CCc2c1cccc2 2230a_106832991635_100000183021 [0,1,1,0,0,0|0,0,0]=2 132 B15R2.73 CNCC(=O)N1CCc2c1cccc2 34a_100102657272_100000183021 [0,1,1,0,0,0|0,0,0]=2 133 B15R2.73 CNCC(=O)N1CCc2c1cccc2 7a_106832991635_100000183021 [0,1,1,0,0,0|0,0,0]=2 134 B15R2.73 CNNC(=O)C1CCc2c1cccc2 22a_100016993582_100000750891 [0,1,1,0,0,0|2,0,0]=4 135 B15R2.73 COCC(=O)N1CCc2c1cccc2 34a_100138415774_100000183021 [0,1,1,0,0,0|0,0,0]=2 136 B15R2.73 CSCC(=O)N1CCc2c1cccc2 62a_100000183021_200000210301 [0,1,1,0,0,0|0,0,0]=2 137 B15R2.73 CSCC(=O)N1CCc2c1cccc2 62a_200000210301_100000183021 [0,1,1,0,0,0|0,0,0]=2 138 B15R2.73 N#CCC(=O)C1CCc2c1cccc2 1458a_100000750891_100011214920 [0,1,1,0,0,0|1,0,1]=4 139 B15R2.73 O=C(CCF)C1=CCc2c1cccc2 1458a_100000037392_100011217306 [0,1,1,0,0,0|1,0,1]=4 140 B15R2.73 O=C(CCF)C1CCc2c1cccc2 1458a_100000750891_100011217306 [0,1,1,0,0,0|1,0,0]=3 141 B15R2.73 O=C(CCO)C1=CCc2c1cccc2 1458a_100000037392_100000211926 [0,1,1,0,0,0|1,0,1]=4 142 B15R2.73 O=C(CCO)C1CCc2c1cccc2 1458a_100000750891_100000211926 [0,1,1,0,0,0|1,0,0]=3 143 B15R2.73 [13CH3]SCC(=O)N1CCc2c1cccc2 62a_100000183021_200025704644 [0,1,1,0,0,0|0,0,0]=2 144 B15R2.73 [13CH3]SCC(=O)N1CCc2c1cccc2 62a_200025704644_100000183021 [0,1,1,0,0,0|0,0,0]=2 145 B15R2.1255 CC(=O)C(=O)N1CCc2c1cccc2 1458a_200011297316_200000210301 [0,1,1,0,0,0|0,0,1]=3 146 B15R2.1255 CC(C)C(=O)C1=CCc2c1cccc2 1458a_100000037392_100000210206 [0,1,1,0,0,0|1,0,1]=4 147 B15R2.1255 CC(C)C(=O)C1CCc2c1cccc2 1458a_100000750891_100000210206 [0,1,1,0,0,0|1,0,0]=3 148 B15R2.1255 CN(C)C(=O)C1CCc2c1cccc2 11a_100102631434_100000750891 [0,1,1,0,0,0|2,0,0]=4 149 B15R2.1255 CN(C)C(=O)C1CCc2c1cccc2 1626a_100102631434_100000750891 [0,1,1,0,0,0|2,0,0]=4 150 B15R2.1255 CN(C)C(=O)C1CCc2c1cccc2 240690a_100102631434_100000750891 [0,1,1,0,0,0|2,0,0]=4 151 B15R2.1255 CN(C)C(=O)C1CCc2c1cccc2 527a_100102631434_100000750891 [0,1,1,0,0,0|2,0,0]=4 152 B15R2.1255 [13CH3]C(=O)C(=O)N1CCc2c1cccc2 1458a_200011297316_200025704644 [0,1,1,0,0,0|0,0,1]=3 153 B15R2.19094 CCC(=O)C1CCc2c1ccc(c2)C 1458a_100000103084_100000210202 [0,1,1,0,0,0|1,0,0]=3 154 B15R2.19094 CNC(=O)C1CCc2c1ccc(c2)C 11a_106832991635_100000103084 [0,1,1,0,0,0|2,0,0]=4 155 B15R2.19094 CNC(=O)C1CCc2c1ccc(c2)C 1626a_100102657272_100000103084 [0,1,1,0,0,0|2,0,0]=4 156 B15R2.19094 CNC(=O)C1CCc2c1ccc(c2)C 240690a_100102657272_100000103084 [0,1,1,0,0,0|2,0,0]=4 157 B15R2.19094 CNC(=O)C1CCc2c1ccc(c2)C 527a_100102657272_100000103084 [0,1,1,0,0,0|2,0,0]=4 158 B15R2.19094 Cc1ccc2c(c1)CCC2C(=O)CF 1458a_100000103084_100015361967 [0,1,1,0,0,0|2,0,0]=4 159 B15R2.23388 CCC(=O)C1CC(=O)c2c1cccc2 1458a_100000210414_100010208147 [0,1,1,0,0,0|1,0,1]=4 160 B15R2.79417 CCC(=O)C1CCc2c1cc(cc2)Br 1458a_100012359375_100000210202 [0,1,1,0,0,0|1,0,0]=3 161 B15R2.79417 CCC(=O)C1CCc2c1cc(cc2)F 1458a_100000103086_100000210202 [0,1,1,0,0,0|1,0,0]=3 162 B15R2.79417 CNC(=O)C1CCc2c1cc(cc2)Br 11a_106832991635_100012359375 [0,1,1,0,0,0|2,0,0]=4 163 B15R2.79417 CNC(=O)C1CCc2c1cc(cc2)Br 1626a_100102657272_100012359375 [0,1,1,0,0,0|2,0,0]=4 164 B15R2.79417 CNC(=O)C1CCc2c1cc(cc2)Br 240690a_100102657272_100012359375 [0,1,1,0,0,0|2,0,0]=4 165 B15R2.79417 CNC(=O)C1CCc2c1cc(cc2)Br 527a_100102657272_100012359375 [0,1,1,0,0,0|2,0,0]=4 166 B15R2.79417 CNC(=O)C1CCc2c1cc(cc2)F 11a_106832991635_100000103086 [0,1,1,0,0,0|2,0,0]=4 167 B15R2.79417 CNC(=O)C1CCc2c1cc(cc2)F 1626a_100102657272_100000103086 [0,1,1,0,0,0|2,0,0]=4 168 B15R2.79417 CNC(=O)C1CCc2c1cc(cc2)F 240690a_100102657272_100000103086 [0,1,1,0,0,0|2,0,0]=4 169 B15R2.79417 CNC(=O)C1CCc2c1cc(cc2)F 527a_100102657272_100000103086 [0,1,1,0,0,0|2,0,0]=4 170 B15R2.79417 O=C(CF)C1CCc2c1cc(cc2)Br 1458a_100012359375_100015361967 [0,1,1,0,0,0|2,0,0]=4 171 B15R2.79417 O=C(CF)C1CCc2c1cc(cc2)F 1458a_100000103086_100015361967 [0,1,1,0,0,0|2,0,0]=4 172 B15R2.1445 NC1CCc2c1cccc2SCC=O 62a_100000751068_200015260668 [0,1,1,0,0,0|2,0,0]=4 173 B15R2.1445 NC1CCc2c1cccc2SCC=O 62a_200015260668_100000751068 [0,1,1,0,0,0|2,0,0]=4 174 B15R2.1445 NC1COc2c1cccc2SCC=O 62a_100025715106_200015260668 [0,1,1,0,0,0|2,0,0]=4 175 B15R2.1445 NC1COc2c1cccc2SCC=O 62a_200015260668_100025715106 [0,1,1,0,0,0|2,0,0]=4 176 B15R2.1445 N[C@H]1CCc2c1cccc2OCC=O 34a_100134616730_200009817547 [0,1,1,0,0,0|2,0,0]=4 177 B15R2.1445 O=CCSc1cccc2c1CC[C@@H]2O 62a_100010080924_200015260668 [0,1,1,0,0,0|2,0,0]=4 178 B15R2.1445 O=CCSc1cccc2c1CC[C@@H]2O 62a_200015260668_100010080924 [0,1,1,0,0,0|2,0,0]=4 179 B15R2.1453 CC1Cc2cccc(c2O1)NCC=O 2230a_100000124160_200015260668 [0,1,1,0,0,0|2,0,0]=4 180 B15R2.1453 CC1Cc2cccc(c2O1)NCC=O 34a_100000124160_200009817547 [0,1,1,0,0,0|2,0,0]=4 181 B15R2.1453 O=CCSc1cccc2c1CC(C2)O 62a_100010752598_200015260668 [0,1,1,0,0,0|2,0,0]=4 182 B15R2.1453 O=CCSc1cccc2c1CC(C2)O 62a_200015260668_100010752598 [0,1,1,0,0,0|2,0,0]=4 183 B15R2.1453 O=CCSc1cccc2c1NC(=O)C2 62a_200015260668_100000767046 [0,1,1,0,0,0|1,0,1]=4 184 B15R2.1454 NC1CCc2c1c(ccc2)SCC=O 62a_100103168669_200015260668 [0,1,1,0,0,0|2,0,0]=4 185 B15R2.1454 NC1CCc2c1c(ccc2)SCC=O 62a_200015260668_100103168669 [0,1,1,0,0,0|2,0,0]=4 186 B15R2.1454 O=CCOc1cccc2c1C(=O)CC2 34a_100000066596_200009817547 [0,1,1,0,0,0|2,0,0]=4 187 B15R2.1454 O=CCOc1cccc2c1C(=O)CC2 7a_100000066596_200015260668 [0,1,1,0,0,0|2,0,0]=4 188 B15R2.1454 O=CCSc1cccc2c1C(=O)CC2 62a_100009816781_200015260668 [0,1,1,0,0,0|2,0,0]=4 189 B15R2.1454 O=CCSc1cccc2c1C(=O)CC2 62a_200015260668_100009816781 [0,1,1,0,0,0|2,0,0]=4 190 B15R2.4278 C#CCCSc1cccc2c1NCC2 62a_100000688953_100016995435 [0,1,1,0,0,0|1,0,1]=4 191 B15R2.4278 C#CCCSc1cccc2c1NCC2 62a_100016995435_100000688953 [0,1,1,0,0,0|1,0,1]=4 192 B15R2.4278 C/C=C/CSc1cccc2c1NCC2 62a_100016995435_100102629194 [0,1,1,0,0,0|1,0,1]=4 193 B15R2.4278 C/C=C/CSc1cccc2c1NCC2 62a_100102629194_100016995435 [0,1,1,0,0,0|1,0,1]=4 194 B15R2.4278 C=CCCNc1cccc2c1CCC2 2230a_100000043548_100000754431 [0,1,1,0,0,0|2,0,0]=4 195 B15R2.4278 C=CCCNc1cccc2c1CCC2 34a_100000043548_100000754431 [0,1,1,0,0,0|2,0,0]=4 196 B15R2.4278 C=CCCNc1cccc2c1OCC2 2230a_100000102157_100000754431 [0,1,1,0,0,0|2,0,0]=4 197 B15R2.4278 C=CCCNc1cccc2c1OCC2 34a_100000102157_100000754431 [0,1,1,0,0,0|2,0,0]=4 198 B15R2.4278 C=CCCOc1cccc2c1CCC2 34a_100000074356_100000754431 [0,1,1,0,0,0|2,0,0]=4 199 B15R2.4278 C=CCCOc1cccc2c1CCC2 7a_100000074356_100000754431 [0,1,1,0,0,0|2,0,0]=4 200 B15R2.4278 C=CCCSc1cccc2c1CCC2 62a_100000754431_100010343934 [0,1,1,0,0,0|2,0,0]=4 201 B15R2.4278 C=CCCSc1cccc2c1CCC2 62a_100010343934_100000754431 [0,1,1,0,0,0|2,0,0]=4 202 B15R2.4278 C=CCCSc1cccc2c1NCC2 62a_100000754431_100016995435 [0,1,1,0,0,0|1,0,0]=3 203 B15R2.4278 C=CCCSc1cccc2c1NCC2 62a_100016995435_100000754431 [0,1,1,0,0,0|1,0,0]=3 204 B15R2.4278 C=CCCSc1cccc2c1OCC2 62a_100000754431_100009818991 [0,1,1,0,0,0|2,0,0]=4 205 B15R2.4278 C=CCCSc1cccc2c1OCC2 62a_100009818991_100000754431 [0,1,1,0,0,0|2,0,0]=4 206 B15R2.4278 C=CCNCc1cccc2c1OCC2 2230a_200000703977_100000210623 [0,1,1,0,0,0|2,0,0]=4 207 B15R2.4278 C=CCNCc1cccc2c1OCC2 270004a_100020586998_100011934426 [0,1,1,0,0,0|2,0,0]=4 208 B15R2.4278 C=CCNCc1cccc2c1OCC2 34a_200000703977_100015514636 [0,1,1,0,0,0|2,0,0]=4 209 B15R2.4278 C=CCOCc1cccc2c1OCC2 34a_100011934603_100015514636 [0,1,1,0,0,0|2,0,0]=4 210 B15R2.4278 C=CCOCc1cccc2c1OCC2 7a_100011934603_100015514636 [0,1,1,0,0,0|2,0,0]=4 211 B15R2.4278 CC=CCSc1cccc2c1NCC2 62a_100000070051_100016995435 [0,1,1,0,0,0|1,0,1]=4 212 B15R2.4278 CC=CCSc1cccc2c1NCC2 62a_100016995435_100000070051 [0,1,1,0,0,0|1,0,1]=4 213 B15R2.4278 CCCCSc1cccc2c1NCC2 62a_100000210211_100016995435 [0,1,1,0,0,0|1,0,1]=4 214 B15R2.4278 CCCCSc1cccc2c1NCC2 62a_100016995435_100000210210 [0,1,1,0,0,0|1,0,1]=4 215 B15R2.4278 COCCSc1cccc2c1NCC2 62a_100000233755_100016995435 [0,1,1,0,0,0|2,0,0]=4 216 B15R2.4278 COCCSc1cccc2c1NCC2 62a_100016995435_100000233755 [0,1,1,0,0,0|2,0,0]=4 217 B15R2.4278 CSCCSc1cccc2c1NCC2 62a_100000212216_100016995435 [0,1,1,0,0,0|2,0,0]=4 218 B15R2.4278 CSCCSc1cccc2c1NCC2 62a_100016995435_100000751147 [0,1,1,0,0,0|2,0,0]=4 219 B15R2.4278 FCCCSc1cccc2c1NCC2 62a_100011934791_100016995435 [0,1,1,0,0,0|1,0,1]=4 220 B15R2.4278 FCCCSc1cccc2c1NCC2 62a_100016995435_100011934791 [0,1,1,0,0,0|1,0,1]=4 221 B15R2.4278 N#CCCSc1cccc2c1NCC2 62a_100011215226_100016995435 [0,1,1,0,0,0|1,0,1]=4 222 B15R2.4278 N#CCCSc1cccc2c1NCC2 62a_100016995435_100011215226 [0,1,1,0,0,0|1,0,1]=4 223 B15R2.4278 O=CCNCc1cccc2c1OCC2 2230a_200000703977_200015260668 [0,1,1,0,0,0|1,0,0]=3 224 B15R2.4278 O=CCNCc1cccc2c1OCC2 34a_200000703977_200009817547 [0,1,1,0,0,0|1,0,0]=3 225 B15R2.4278 O=CCNCc1cccc2c1OCO2 2230a_100000743722_200015260668 [0,1,1,0,0,0|2,0,0]=4 226 B15R2.4278 O=CCNCc1cccc2c1OCO2 34a_100000743722_200009817547 [0,1,1,0,0,0|2,0,0]=4 227 B15R2.4278 O=CCOCc1cccc2c1OCC2 34a_100011934603_200009817547 [0,1,1,0,0,0|1,0,0]=3 228 B15R2.4278 O=CCOCc1cccc2c1OCC2 7a_100011934603_200015260668 [0,1,1,0,0,0|1,0,0]=3 229 B15R2.4278 O=CCOCc1cccc2c1OCO2 34a_100011219355_200009817547 [0,1,1,0,0,0|2,0,0]=4 230 B15R2.4278 O=CCSCc1cccc2c1OCO2 62a_100010369185_200015260668 [0,1,1,0,0,0|2,0,0]=4 231 B15R2.4278 O=CCSCc1cccc2c1[nH]nc2 62a_200015260668_100000099550 [0,1,1,0,0,0|1,0,1]=4 232 B15R2.4278 OCCCSc1cccc2c1NCC2 62a_100011215043_100016995435 [0,1,1,0,0,0|0,0,2]=4 233 B15R2.4278 OCCCSc1cccc2c1NCC2 62a_100016995435_100011215043 [0,1,1,0,0,0|0,0,2]=4 234 B15R2.7300 Cc1ccc(c2c1CCC2)OCC=O 34a_100000035953_200009817547 [0,1,1,0,0,0|2,0,0]=4 235 B15R2.7300 Cc1ccc(c2c1CCC2)OCC=O 7a_100000035953_200015260668 [0,1,1,0,0,0|2,0,0]=4 236 B15R2.7300 Nc1ccc(c2c1CCC2)SCC=O 62a_200010751103_200015260668 [0,1,1,0,0,0|2,0,0]=4 237 B15R2.7300 Nc1ccc(c2c1CCC2)SCC=O 62a_200015260668_200010751103 [0,1,1,0,0,0|2,0,0]=4 238 B15R2.7300 O=CCNc1ccc(c2c1CCC2)I 34a_200010751103_200009817547 [0,1,1,0,0,0|2,0,0]=4 239 B15R2.7300 O=CCOc1ccc(c2c1CCC2)Cl 34a_100000073669_200009817547 [0,1,1,0,0,0|2,0,0]=4 240 B15R2.7300 O=CCOc1ccc(c2c1CCC2)Cl 7a_100000073669_200015260668 [0,1,1,0,0,0|2,0,0]=4 241 B15R2.7308 O=CCNc1cc(cc2c1OCC2)F 2230a_200009983616_200015260668 [0,1,1,0,0,0|2,0,0]=4 242 B15R2.7308 O=CCNc1cc(cc2c1OCC2)F 34a_200009983616_200009817547 [0,1,1,0,0,0|2,0,0]=4 243 B15R2.17473 Cc1ccc2c(c1NCC=O)CCC2 2230a_202495413831_200015260668 [0,1,1,0,0,0|2,0,0]=4 244 B15R2.17473 Cc1ccc2c(c1NCC=O)CCC2 34a_202495413831_200009817547 [0,1,1,0,0,0|2,0,0]=4 245 B15R2.17473 O=CCNc1c(ccc2c1CCC2)Br 2230a_202495424074_200015260668 [0,1,1,0,0,0|2,0,0]=4 246 B15R2.17473 O=CCNc1c(ccc2c1CCC2)Br 34a_202495424074_200009817547 [0,1,1,0,0,0|2,0,0]=4 247 B15R2.17473 O=CCOc1c(ccc2c1CCC2)Br 34a_100010662108_200009817547 [0,1,1,0,0,0|2,0,0]=4 248 B15R2.17473 O=CCOc1c(ccc2c1CCC2)Br 7a_100010662108_200015260668 [0,1,1,0,0,0|2,0,0]=4 249 B15R2.19139 C=CC(C)Sc1cccc2c1NCC2 62a_100011215867_100016995435 [0,1,1,0,0,0|2,0,0]=4 250 B15R2.19753 C=C(C)CSc1cccc2c1NCC2 62a_100000748629_100016995435 [0,1,1,0,0,0|2,0,0]=4 251 B15R2.19753 C=C(C)CSc1cccc2c1NCC2 62a_100016995435_100000211660 [0,1,1,0,0,0|2,0,0]=4 252 B15R2.19753 C=C(F)CSc1cccc2c1NCC2 62a_100000042424_100016995435 [0,1,1,0,0,0|2,0,0]=4 253 B15R2.19753 C=C(F)CSc1cccc2c1NCC2 62a_100016995435_100000042424 [0,1,1,0,0,0|2,0,0]=4 254 B15R2.19753 CC(=O)NCc1cccc2c1OCC2 11a_200000703977_100015343762 [0,1,1,0,0,0|2,0,0]=4 255 B15R2.19753 CC(=O)NCc1cccc2c1OCC2 1626a_200000703977_100015343762 [0,1,1,0,0,0|2,0,0]=4 256 B15R2.19753 CC(=O)NCc1cccc2c1OCC2 240690a_200000703977_100015343762 [0,1,1,0,0,0|2,0,0]=4 257 B15R2.19753 CC(=O)NCc1cccc2c1OCC2 527a_200000703977_100103153847 [0,1,1,0,0,0|2,0,0]=4 258 B15R2.19753 NC(=O)CNc1cccc2c1CCC2 2230a_100000043548_100000747473 [0,1,1,0,0,0|2,0,0]=4 259 B15R2.19753 NC(=O)CNc1cccc2c1CCC2 34a_100000043548_100000187820 [0,1,1,0,0,0|2,0,0]=4 260 B15R2.19753 NC(=O)CNc1cccc2c1OCC2 2230a_100000102157_100000747473 [0,1,1,0,0,0|2,0,0]=4 261 B15R2.19753 NC(=O)CNc1cccc2c1OCC2 34a_100000102157_100000187820 [0,1,1,0,0,0|2,0,0]=4 262 B15R2.19753 NC(=O)COc1cccc2c1CCC2 34a_100000074356_100000187820 [0,1,1,0,0,0|2,0,0]=4 263 B15R2.19753 NC(=O)COc1cccc2c1CCC2 7a_100000074356_100000187820 [0,1,1,0,0,0|2,0,0]=4 264 B15R2.19753 NC(=O)CSc1cccc2c1CCC2 62a_100000747473_100010343934 [0,1,1,0,0,0|2,0,0]=4 265 B15R2.19753 NC(=O)CSc1cccc2c1CCC2 62a_100010343934_100000747473 [0,1,1,0,0,0|2,0,0]=4 266 B15R2.19753 NC(=O)CSc1cccc2c1NCC2 62a_100000747473_100016995435 [0,1,1,0,0,0|1,0,0]=3 267 B15R2.19753 NC(=O)CSc1cccc2c1NCC2 62a_100016995435_100000747473 [0,1,1,0,0,0|1,0,0]=3 268 B15R2.19753 NC(=O)CSc1cccc2c1OCC2 62a_100000747473_100009818991 [0,1,1,0,0,0|2,0,0]=4 269 B15R2.19753 NC(=O)CSc1cccc2c1OCC2 62a_100009818991_100000747473 [0,1,1,0,0,0|2,0,0]=4 270 B15R2.19753 O=C([O-])CNc1cccc2c1CCC2 34a_100000043548_100020667443 [0,1,1,0,0,0|2,0,0]=4 271 B15R2.19753 O=C([O-])CNc1cccc2c1OCC2 34a_100000102157_100020667443 [0,1,1,0,0,0|2,0,0]=4 272 B15R2.19753 O=C([O-])COc1cccc2c1CCC2 34a_100000074356_100020667443 [0,1,1,0,0,0|2,0,0]=4 273 B15R2.19753 O=C([O-])CSc1cccc2c1CCC2 62a_100010343934_100020667443 [0,1,1,0,0,0|2,0,0]=4 274 B15R2.19753 O=C([O-])CSc1cccc2c1CCC2 62a_100020667443_100010343934 [0,1,1,0,0,0|2,0,0]=4 275 B15R2.19753 O=C([O-])CSc1cccc2c1NCC2 62a_100016995435_100020667443 [0,1,1,0,0,0|1,0,0]=3 276 B15R2.19753 O=C([O-])CSc1cccc2c1NCC2 62a_100020667443_100016995435 [0,1,1,0,0,0|1,0,0]=3 277 B15R2.19753 O=C([O-])CSc1cccc2c1OCC2 62a_100009818991_100020667443 [0,1,1,0,0,0|2,0,0]=4 278 B15R2.19753 O=C([O-])CSc1cccc2c1OCC2 62a_100020667443_100009818991 [0,1,1,0,0,0|2,0,0]=4 279 B15R2.19753 O=[N+]([O-])CSc1cccc2c1NCC2 62a_100016995435_100000761209 [0,1,1,0,0,0|2,0,0]=4 280 B15R2.20947 CC(=O)N1CCc2c1c(ccc2)N[13CH3] 2230a_100000685489_200025704644 [0,1,1,0,0,0|0,0,0]=2 281 B15R2.20947 CNc1cccc2c1N(CC2)C(=O)C 2230a_100000685489_200000210301 [0,1,1,0,0,0|0,0,0]=2 282 B15R2.7268 C=C(C)c1cccc2c1CC(=O)CC2 271570a_100000694244_100010006498 [0,1,1,0,0,0|1,0,1]=4 283 B15R2.7268 CC(=O)c1cccc2c1NC(=O)CO2 1458a_100009852551_200000210301 [0,1,1,0,0,0|1,0,1]=4 284 B15R2.7268 [13CH3]C(=O)c1cccc2c1NC(=O)CO2 1458a_100009852551_200025704644 [0,1,1,0,0,0|1,0,1]=4 285 B15R2.11981 CC=Cc1cccc2c1CC(=O)CC2 271570a_100016259895_100010006498 [0,1,1,0,0,0|1,0,1]=4 286 B15R2.11981 CCNc1cccc2c1NC(=O)CO2 2230a_100000070307_100000210202 [0,1,1,0,0,0|1,0,0]=3 287 B15R2.11981 CCOc1cccc2c1NC(=O)CC2 34a_100000082220_100000210202 [0,1,1,0,0,0|0,0,0]=2 288 B15R2.11981 CCOc1cccc2c1NC(=O)CO2 7a_100000098422_100000210202 [0,1,1,0,0,0|1,0,0]=3 289 B15R2.11981 CCSc1cccc2c1CC(=O)CC2 62a_100010006498_100000210202 [0,1,1,0,0,0|1,0,0]=3 290 B15R2.11981 CCSc1cccc2c1[nH]c(=O)cc2 62a_100000210202_100000688906 [0,1,1,0,0,0|0,0,2]=4 291 B15R2.11981 O=C1CCc2cccc(c2C1)SCF 62a_100010006498_100015361967 [0,1,1,0,0,0|2,0,0]=4 292 B15R2.11981 O=C1CCc2cccc(c2N1)OCF 34a_100000082220_100015361967 [0,1,1,0,0,0|1,0,0]=3 293 B15R2.11981 O=C1COc2cccc(c2N1)OCF 7a_100000098422_100015361967 [0,1,1,0,0,0|2,0,0]=4 294 B15R2.86973 CC1Oc2cccc(c2NC1=O)N[13CH3] 2230a_100009861280_200025704644 [0,1,1,0,0,0|2,0,0]=4 295 B15R2.86973 CC1Oc2cccc(c2NC1=O)N[13CH3] 34a_100009861280_200025704644 [0,1,1,0,0,0|2,0,0]=4 296 B15R2.86973 CNc1cccc2c1NC(=O)C(O2)C 2230a_100009861280_200000210301 [0,1,1,0,0,0|2,0,0]=4 297 B15R2.86973 CNc1cccc2c1NC(=O)C(O2)C 34a_100009861280_200000210301 [0,1,1,0,0,0|2,0,0]=4 298 B15R2.87046 CN1C(=O)COc2c1c(ccc2)N[13CH3] 2230a_100009852664_200025704644 [0,1,1,0,0,0|2,0,0]=4 299 B15R2.87046 CN1C(=O)COc2c1c(ccc2)N[13CH3] 34a_100009852664_200025704644 [0,1,1,0,0,0|2,0,0]=4 300 B15R2.87046 CNc1cccc2c1N(C(=O)CO2)C 2230a_100009852664_200000210301 [0,1,1,0,0,0|2,0,0]=4 301 B15R2.87046 CNc1cccc2c1N(C(=O)CO2)C 34a_100009852664_200000210301 [0,1,1,0,0,0|2,0,0]=4 302 B15R2.89950 C=Cc1cc(cc2c1NC(=O)CC2)O 271570a_100011290941_100021432387 [0,1,1,0,0,0|0,0,2]=4 303 B15R2.89950 CNc1cc(cc2c1NC(=O)CC2)C 2230a_200009830081_200000210301 [0,1,1,0,0,0|1,0,0]=3 304 B15R2.89950 CSc1cc(cc2c1NC(=O)CC2)O 62a_200000210301_100021432387 [0,1,1,0,0,0|1,0,0]=3 305 B15R2.89950 Cc1cc2c(c(c1)N[13CH3])NC(=O)CC2 2230a_200009830081_200025704644 [0,1,1,0,0,0|1,0,0]=3 306 B15R2.89950 [13CH3]Sc1cc(cc2c1NC(=O)CC2)O 62a_200025704644_100021432387 [0,1,1,0,0,0|1,0,0]=3 307 B13R1.3516 CNc1c(cccc1SCC=O)N 62a_100010510394_200015260668 [0,0,2,0,0,0|2,0,0]=4 308 B13R1.3516 COc1c(cccc1NCC=O)C 34a_100012017360_200009817547 [0,0,2,0,0,0|2,0,0]=4 309 B13R1.3516 COc1c(cccc1SCC=O)C 62a_100010141385_200015260668 [0,0,2,0,0,0|2,0,0]=4 310 B13R1.3516 COc1c(cccc1SCC=O)C 62a_200015260668_100010141385 [0,0,2,0,0,0|2,0,0]=4 311 B13R1.3516 CSc1c(cccc1OCC=O)C 34a_200000099257_200009817547 [0,0,2,0,0,0|2,0,0]=4 312 B13R1.3516 CSc1c(cccc1OCC=O)C 7a_200000099257_200015260668 [0,0,2,0,0,0|2,0,0]=4 313 B13R1.91 C#Cc1ccccc1NC(=O)CC 11a_100011470550_100000210414 [0,0,2,0,0,0|0,0,2]=4 314 B13R1.91 C#Cc1ccccc1NC(=O)CC 1626a_100011470550_100000210414 [0,0,2,0,0,0|0,0,2]=4 315 B13R1.91 C#Cc1ccccc1NC(=O)CC 22a_100011470550_100000210414 [0,0,2,0,0,0|0,0,2]=4 316 B13R1.91 C=CC(=O)Nc1ccccc1CC 1626a_100000212081_100000185746 [0,0,2,0,0,0|0,0,2]=4 317 B13R1.91 C=CC(=O)Nc1ccccc1CC 22a_100000212081_100000185746 [0,0,2,0,0,0|0,0,2]=4 318 B13R1.91 C=Cc1ccccc1NC(=O)CC 11a_100012022501_100000210414 [0,0,2,0,0,0|0,0,2]=4 319 B13R1.91 C=Cc1ccccc1NC(=O)CC 1626a_100012022501_100000210414 [0,0,2,0,0,0|0,0,2]=4 320 B13R1.91 C=Cc1ccccc1NC(=O)CC 22a_100012022501_100000210414 [0,0,2,0,0,0|0,0,2]=4 321 B13R1.91 C=Cc1ccccc1NC(=O)CC 271570a_100011290941_100000153536 [0,0,2,0,0,0|0,0,2]=4 322 B13R1.91 CCC(=O)Cc1ccccc1CO 1458a_100000210414_100009816955 [0,0,2,0,0,0|2,0,0]=4 323 B13R1.91 CCC(=O)Cc1ccccc1OC 1458a_100000210414_100000210004 [0,0,2,0,0,0|2,0,0]=4 324 B13R1.91 CCC(=O)Cc1ccccc1OC 1458a_100000211604_100000210202 [0,0,2,0,0,0|2,0,0]=4 325 B13R1.91 CCC(=O)Cc1ccccc1SC 1458a_100000210414_100000699184 [0,0,2,0,0,0|2,0,0]=4 326 B13R1.91 CCC(=O)Nc1ccccc1C#N 11a_100000211148_100000210414 [0,0,2,0,0,0|1,0,1]=4 327 B13R1.91 CCC(=O)Nc1ccccc1C#N 1626a_100000211148_100000210414 [0,0,2,0,0,0|1,0,1]=4 328 B13R1.91 CCC(=O)Nc1ccccc1CC 11a_100000212081_100000210414 [0,0,2,0,0,0|0,0,0]=2 329 B13R1.91 CCC(=O)Nc1ccccc1CC 1626a_100000212081_100000210414 [0,0,2,0,0,0|0,0,0]=2 330 B13R1.91 CCC(=O)Nc1ccccc1CC 22a_100000212081_100000210414 [0,0,2,0,0,0|0,0,0]=2 331 B13R1.91 CCC(=O)Nc1ccccc1CC 527a_100000212081_100000210414 [0,0,2,0,0,0|0,0,0]=2 332 B13R1.91 CCC(=O)Nc1ccccc1CO 22a_100000212039_100000210414 [0,0,2,0,0,0|1,0,0]=3 333 B13R1.91 CCC(=O)Nc1ccccc1OC 11a_100000210025_100000210414 [0,0,2,0,0,0|1,0,0]=3 334 B13R1.91 CCC(=O)Nc1ccccc1OC 1626a_100000210025_100000210414 [0,0,2,0,0,0|1,0,0]=3 335 B13R1.91 CCC(=O)Nc1ccccc1OC 22a_100000210025_100000210414 [0,0,2,0,0,0|1,0,0]=3 336 B13R1.91 CCC(=O)Nc1ccccc1OC 527a_100000210025_100000210414 [0,0,2,0,0,0|1,0,0]=3 337 B13R1.91 CCC(=O)Nc1ccccc1SC 11a_100000211160_100000210414 [0,0,2,0,0,0|1,0,0]=3 338 B13R1.91 CCC(=O)Nc1ccccc1SC 22a_100000211160_100000210414 [0,0,2,0,0,0|1,0,0]=3 339 B13R1.91 CCC(=O)Nc1ccccc1SC 62a_200000210301_100000153536 [0,0,2,0,0,0|1,0,0]=3 340 B13R1.91 CCC(=O)Nc1ccccc1S[13CH3] 62a_200025704644_100000153536 [0,0,2,0,0,0|1,0,0]=3 341 B13R1.91 CCc1ccccc1NC(=O)CO 22a_100000212081_100000210174 [0,0,2,0,0,0|1,0,0]=3 342 B13R1.91 CCc1ccccc1NC(=O)CO 527a_100000212081_100000210174 [0,0,2,0,0,0|1,0,0]=3 343 B13R1.91 CCc1ccccc1NC(=O)NC 2430a_100000212081_100102657272 [0,0,2,0,0,0|1,0,0]=3 344 B13R1.91 CCc1ccccc1NC(C)CC 2230a_100000212081_100000758301 [0,0,2,0,0,0|1,0,1]=4 345 B13R1.91 CCc1ccccc1NC(C)CC 34a_100000212081_100011215416 [0,0,2,0,0,0|1,0,1]=4 346 B13R1.91 CCc1ccccc1NC(C)CC 7a_100000212081_100000758301 [0,0,2,0,0,0|1,0,1]=4 347 B13R1.91 CNC(=O)Nc1ccccc1OC 2430a_100000210025_100102657272 [0,0,2,0,0,0|2,0,0]=4 348 B13R1.91 CNC(=O)Nc1ccccc1SC 2430a_100000211160_100102657272 [0,0,2,0,0,0|2,0,0]=4 349 B13R1.91 CNC(=O)Nc1ccccc1SC 512a_100000211160_100102657272 [0,0,2,0,0,0|2,0,0]=4 350 B13R1.91 COC(=O)Nc1ccccc1SC 62a_200000210301_100000216184 [0,0,2,0,0,0|2,0,0]=4 351 B13R1.91 COC(=O)Nc1ccccc1S[13CH3] 62a_200025704644_100000216184 [0,0,2,0,0,0|2,0,0]=4 352 B13R1.91 COc1ccccc1NC(=O)CCl 7a_100000014494_200000210301 [0,0,2,0,0,0|2,0,0]=4 353 B13R1.91 COc1ccccc1NC(=O)CO 22a_100000210025_100000210174 [0,0,2,0,0,0|2,0,0]=4 354 B13R1.91 COc1ccccc1NC(=O)CO 527a_100000210025_100000210174 [0,0,2,0,0,0|2,0,0]=4 355 B13R1.91 CSc1ccccc1NC(=O)CN 62a_200000210301_100000683505 [0,0,2,0,0,0|2,0,0]=4 356 B13R1.91 CSc1ccccc1NC(=O)CO 22a_100000211160_100000210174 [0,0,2,0,0,0|2,0,0]=4 357 B13R1.91 O=C(CO)Nc1ccccc1CO 22a_100000212039_100000210174 [0,0,2,0,0,0|2,0,0]=4 358 B13R1.91 [13CH3]Oc1ccccc1NC(=O)CCl 7a_100000014494_200025704644 [0,0,2,0,0,0|2,0,0]=4 359 B13R1.91 [13CH3]Sc1ccccc1NC(=O)CN 62a_200025704644_100000683505 [0,0,2,0,0,0|2,0,0]=4 360 B13R1.532 C=CC(=O)N(CC)c1ccccc1 1626a_100000210013_100000185746 [0,0,2,0,0,0|0,0,2]=4 361 B13R1.532 C=CC(=O)N(CC)c1ccccc1 22a_100000210013_100000185746 [0,0,2,0,0,0|0,0,2]=4 362 B13R1.532 CCC(=O)C(CC)c1ccccc1 1458a_100000211302_100000210202 [0,0,2,0,0,0|1,0,0]=3 363 B13R1.532 CCC(=O)C(CO)c1ccccc1 1458a_100011218805_100000210202 [0,0,2,0,0,0|2,0,0]=4 364 B13R1.532 CCC(=O)N(CC)c1ccccc1 11a_100000210013_100000210414 [0,0,2,0,0,0|0,0,0]=2 365 B13R1.532 CCC(=O)N(CC)c1ccccc1 1626a_100000210013_100000210414 [0,0,2,0,0,0|0,0,0]=2 366 B13R1.532 CCC(=O)N(CC)c1ccccc1 22a_100000210013_100000210414 [0,0,2,0,0,0|0,0,0]=2 367 B13R1.532 CCC(=O)[C@H](OC)c1ccccc1 1458a_100000698336_100000210202 [0,0,2,0,0,0|2,0,0]=4 368 B13R1.532 CCC(C(=O)CF)c1ccccc1 1458a_100000211302_100015361967 [0,0,2,0,0,0|2,0,0]=4 369 B13R1.532 CCC(C(=O)NC)c1ccccc1 11a_106832991635_100000211302 [0,0,2,0,0,0|2,0,0]=4 370 B13R1.532 CCC(C(=O)NC)c1ccccc1 1626a_100102657272_100000211302 [0,0,2,0,0,0|2,0,0]=4 371 B13R1.532 CCC(C(=O)NC)c1ccccc1 240690a_100102657272_100000211302 [0,0,2,0,0,0|2,0,0]=4 372 B13R1.532 CCC(C(=O)NC)c1ccccc1 527a_100102657272_100000211302 [0,0,2,0,0,0|2,0,0]=4 373 B13R1.532 CCC(C)N(CC)c1ccccc1 2230a_100000210013_100000758301 [0,0,2,0,0,0|1,0,1]=4 374 B13R1.532 CCC(C)N(CC)c1ccccc1 269982a_100000210013_100000758301 [0,0,2,0,0,0|1,0,1]=4 375 B13R1.532 CCC(C)N(CC)c1ccccc1 34a_100000210013_100011215416 [0,0,2,0,0,0|1,0,1]=4 376 B13R1.532 CCN(C(=O)CO)c1ccccc1 22a_100000210013_100000210174 [0,0,2,0,0,0|1,0,0]=3 377 B13R1.696 C=CC(=O)N(C)c1ccccc1C 1626a_100000219699_100000185746 [0,0,2,0,0,0|0,0,2]=4 378 B13R1.696 C=CC(=O)N(C)c1ccccc1C 22a_100000219699_100000185746 [0,0,2,0,0,0|0,0,2]=4 379 B13R1.696 CCC(=O)C(C)c1ccccc1Br 1458a_100012359601_100000210202 [0,0,2,0,0,0|2,0,0]=4 380 B13R1.696 CCC(=O)C(C)c1ccccc1Cl 1458a_100000210414_100000181259 [0,0,2,0,0,0|2,0,0]=4 381 B13R1.696 CCC(=O)C(C)c1ccccc1Cl 1458a_100011667492_100000210202 [0,0,2,0,0,0|2,0,0]=4 382 B13R1.696 CCC(=O)C(C)c1ccccc1F 1458a_100000210414_200000741388 [0,0,2,0,0,0|2,0,0]=4 383 B13R1.696 CCC(=O)N(C)c1ccccc1Br 11a_100020606079_100000210414 [0,0,2,0,0,0|1,0,0]=3 384 B13R1.696 CCC(=O)N(C)c1ccccc1Br 1626a_100020606079_100000210414 [0,0,2,0,0,0|1,0,0]=3 385 B13R1.696 CCC(=O)N(C)c1ccccc1C 11a_100000219699_100000210414 [0,0,2,0,0,0|0,0,0]=2 386 B13R1.696 CCC(=O)N(C)c1ccccc1C 1626a_100000219699_100000210414 [0,0,2,0,0,0|0,0,0]=2 387 B13R1.696 CCC(=O)N(C)c1ccccc1C 22a_100000219699_100000210414 [0,0,2,0,0,0|0,0,0]=2 388 B13R1.696 CCC(=O)N(C)c1ccccc1Cl 11a_100000219374_100000210414 [0,0,2,0,0,0|1,0,0]=3 389 B13R1.696 CCC(=O)N(C)c1ccccc1Cl 1626a_100000219374_100000210414 [0,0,2,0,0,0|1,0,0]=3 390 B13R1.696 CCC(=O)N(C)c1ccccc1F 11a_100000220357_100000210414 [0,0,2,0,0,0|1,0,0]=3 391 B13R1.696 CCC(=O)N(C)c1ccccc1F 1626a_100000220357_100000210414 [0,0,2,0,0,0|1,0,0]=3 392 B13R1.696 CCC(=O)N(C)c1ccccc1F 22a_100000220357_100000210414 [0,0,2,0,0,0|1,0,0]=3 393 B13R1.696 CCC(=O)N(C)c1ccccc1O 22a_100000033821_100000210414 [0,0,2,0,0,0|1,0,0]=3 394 B13R1.696 CCC(=O)N(C)c1ccccc1O 527a_100000033821_100000210414 [0,0,2,0,0,0|1,0,0]=3 395 B13R1.696 CCC(C)N(C)c1ccccc1C 2230a_100000219699_100000758301 [0,0,2,0,0,0|1,0,1]=4 396 B13R1.696 CCC(C)N(C)c1ccccc1C 269982a_100000219699_100000758301 [0,0,2,0,0,0|1,0,1]=4 397 B13R1.696 CCC(C)N(C)c1ccccc1C 34a_100000219699_100011215416 [0,0,2,0,0,0|1,0,1]=4 398 B13R1.696 CN(C(=O)CO)c1ccccc1F 22a_100000220357_100000210174 [0,0,2,0,0,0|2,0,0]=4 399 B13R1.696 CN(C(=O)CO)c1ccccc1O 22a_100000033821_100000210174 [0,0,2,0,0,0|2,0,0]=4 400 B13R1.696 CN(C(=O)CO)c1ccccc1O 527a_100000033821_100000210174 [0,0,2,0,0,0|2,0,0]=4 401 B13R1.696 CNC(=O)N(C)c1ccccc1Br 512a_106832991638_100020606079 [0,0,2,0,0,0|2,0,0]=4 402 B13R1.696 CNC(=O)N(C)c1ccccc1C 512a_106832991638_100000219699 [0,0,2,0,0,0|1,0,0]=3 403 B13R1.696 CNC(=O)N(C)c1ccccc1Cl 512a_106832991638_100000219374 [0,0,2,0,0,0|2,0,0]=4 404 B13R1.696 Cc1ccccc1N(C)C(=O)CO 22a_100000219699_100000210174 [0,0,2,0,0,0|1,0,0]=3 405 B13R1.718 C=CC(=O)NCCc1ccccc1 1626a_100000106460_100000185746 [0,0,2,0,0,0|0,0,2]=4 406 B13R1.718 C=CC(=O)NCCc1ccccc1 240690a_100000106460_200121576911 [0,0,2,0,0,0|0,0,2]=4 407 B13R1.718 CCC(=O)CCCc1ccccc1 1458a_100000210414_100000211621 [0,0,2,0,0,0|1,0,0]=3 408 B13R1.718 CCC(=O)CCCc1ccccc1 1458a_100011207963_100000210202 [0,0,2,0,0,0|1,0,0]=3 409 B13R1.718 CCC(=O)CCCc1ccccn1 1458a_100000752327_100000210202 [0,0,2,0,0,0|2,0,0]=4 410 B13R1.718 CCC(=O)CCCc1ccncc1 1458a_100020654287_100000210202 [0,0,2,0,0,0|2,0,0]=4 411 B13R1.718 CCC(=O)CCOc1ccccc1 1458a_100000182761_100000210202 [0,0,2,0,0,0|2,0,0]=4 412 B13R1.718 CCC(=O)CCOc1ccccc1 1458a_100000210414_100000184471 [0,0,2,0,0,0|2,0,0]=4 413 B13R1.718 CCC(=O)CCSc1ccccc1 1458a_100000182436_100000210202 [0,0,2,0,0,0|2,0,0]=4 414 B13R1.718 CCC(=O)CCSc1ccccc1 1458a_100000210414_100000246102 [0,0,2,0,0,0|2,0,0]=4 415 B13R1.718 CCC(=O)COCc1ccccc1 1458a_100000230186_100000210202 [0,0,2,0,0,0|2,0,0]=4 416 B13R1.718 CCC(=O)COCc1ccccc1 34a_100000725409_100015291786 [0,0,2,0,0,0|2,0,0]=4 417 B13R1.718 CCC(=O)COCc1ccccc1 7a_100000210790_100000747405 [0,0,2,0,0,0|2,0,0]=4 418 B13R1.718 CCC(=O)CSCc1ccccc1 1458a_100000150264_100000210202 [0,0,2,0,0,0|2,0,0]=4 419 B13R1.718 CCC(=O)CSCc1ccccc1 1458a_100000210414_200011217039 [0,0,2,0,0,0|2,0,0]=4 420 B13R1.718 CCC(=O)CSCc1ccccc1 62a_100000211182_100000747405 [0,0,2,0,0,0|2,0,0]=4 421 B13R1.718 CCC(=O)CSCc1ccccc1 62a_100000747405_100015291786 [0,0,2,0,0,0|2,0,0]=4 422 B13R1.718 CCC(=O)NCCc1ccccc1 11a_100000106460_100000210414 [0,0,2,0,0,0|0,0,0]=2 423 B13R1.718 CCC(=O)NCCc1ccccc1 1626a_100000106460_100000210414 [0,0,2,0,0,0|0,0,0]=2 424 B13R1.718 CCC(=O)NCCc1ccccc1 240690a_100000106460_100000210414 [0,0,2,0,0,0|0,0,0]=2 425 B13R1.718 CCC(=O)NCCc1ccccc1 527a_100000106460_100000210414 [0,0,2,0,0,0|0,0,0]=2 426 B13R1.718 CCC(=O)NCCc1ccccn1 11a_100000211156_100000210414 [0,0,2,0,0,0|1,0,0]=3 427 B13R1.718 CCC(=O)NCCc1ccccn1 1626a_100000211156_100000210414 [0,0,2,0,0,0|1,0,0]=3 428 B13R1.718 CCC(=O)NCCc1ccccn1 240690a_100000211156_100000210414 [0,0,2,0,0,0|1,0,0]=3 429 B13R1.718 CCC(=O)NCCc1ccccn1 527a_100000211156_100000210414 [0,0,2,0,0,0|1,0,0]=3 430 B13R1.718 CCC(=O)NCCc1cccnc1 11a_100000736294_100000210414 [0,0,2,0,0,0|1,0,0]=3 431 B13R1.718 CCC(=O)NCCc1cccnc1 1626a_100000736294_100000210414 [0,0,2,0,0,0|1,0,0]=3 432 B13R1.718 CCC(=O)NCCc1cccnc1 240690a_100000736294_100000210414 [0,0,2,0,0,0|1,0,0]=3 433 B13R1.718 CCC(=O)NCCc1cccnc1 527a_100000736294_100000210414 [0,0,2,0,0,0|1,0,0]=3 434 B13R1.718 CCC(=O)NCCc1ccncc1 11a_100000742849_100000210414 [0,0,2,0,0,0|1,0,0]=3 435 B13R1.718 CCC(=O)NCCc1ccncc1 1626a_100000742849_100000210414 [0,0,2,0,0,0|1,0,0]=3 436 B13R1.718 CCC(=O)NCCc1ccncc1 240690a_100000742849_100000210414 [0,0,2,0,0,0|1,0,0]=3 437 B13R1.718 CCC(=O)NCCc1ccncc1 527a_100000742849_100000210414 [0,0,2,0,0,0|1,0,0]=3 438 B13R1.718 CCC(=O)NCCc1cnccn1 11a_100000723456_100000210414 [0,0,2,0,0,0|2,0,0]=4 439 B13R1.718 CCC(=O)NCCc1cnccn1 1626a_100000723456_100000210414 [0,0,2,0,0,0|2,0,0]=4 440 B13R1.718 CCC(=O)NCCc1cnccn1 240690a_100000723456_100000210414 [0,0,2,0,0,0|2,0,0]=4 441 B13R1.718 CCC(=O)NCCc1cnccn1 527a_100000723456_100000210414 [0,0,2,0,0,0|2,0,0]=4 442 B13R1.718 CCC(=O)NN=Cc1ccccc1 4a_100000183195_100015611070 [0,0,2,0,0,0|1,0,1]=4 443 B13R1.718 CCC(=O)NNCc1ccccc1 22a_100000007032_100000210414 [0,0,2,0,0,0|1,0,0]=3 444 B13R1.718 CCC(=O)NNCc1ccccn1 22a_100000736832_100000210414 [0,0,2,0,0,0|2,0,0]=4 445 B13R1.718 CCC(=O)NNCc1cccnc1 22a_100000738295_100000210414 [0,0,2,0,0,0|2,0,0]=4 446 B13R1.718 CCC(=O)NNCc1ccncc1 22a_100000736929_100000210414 [0,0,2,0,0,0|2,0,0]=4 447 B13R1.718 CCC(C)NCCc1ccccc1 2230a_100000106460_100000758301 [0,0,2,0,0,0|1,0,1]=4 448 B13R1.718 CCC(C)NCCc1ccccc1 2230a_100000209981_100000765856 [0,0,2,0,0,0|1,0,1]=4 449 B13R1.718 CCC(C)NCCc1ccccc1 34a_100000106460_100011215416 [0,0,2,0,0,0|1,0,1]=4 450 B13R1.718 CNC(=O)CCCc1ccccc1 11a_106832991635_100011207963 [0,0,2,0,0,0|2,0,0]=4 451 B13R1.718 CNC(=O)CCCc1ccccc1 1626a_100102657272_100011207963 [0,0,2,0,0,0|2,0,0]=4 452 B13R1.718 CNC(=O)CCCc1ccccc1 240690a_100102657272_100011207963 [0,0,2,0,0,0|2,0,0]=4 453 B13R1.718 CNC(=O)CCCc1ccccc1 527a_100102657272_100011207963 [0,0,2,0,0,0|2,0,0]=4 454 B13R1.718 CNC(=O)NCCc1ccccc1 2708a_100000106460_106832991635 [0,0,2,0,0,0|1,0,0]=3 455 B13R1.718 CNC(=O)NCCc1ccccc1 2708a_100102657272_100000106460 [0,0,2,0,0,0|1,0,0]=3 456 B13R1.718 CNC(=O)NCCc1ccccc1 273464a_100000106460_100102657272 [0,0,2,0,0,0|1,0,0]=3 457 B13R1.718 CNC(=O)NCCc1ccccc1 273464a_100102657272_100000106460 [0,0,2,0,0,0|1,0,0]=3 458 B13R1.718 CNC(=O)NCCc1ccccc1 512a_100000106460_100102657272 [0,0,2,0,0,0|1,0,0]=3 459 B13R1.718 CNC(=O)NCCc1ccccc1 512a_106832991638_100000106460 [0,0,2,0,0,0|1,0,0]=3 460 B13R1.718 CNC(=O)NCCc1ccccn1 2708a_100000211156_106832991635 [0,0,2,0,0,0|2,0,0]=4 461 B13R1.718 CNC(=O)NCCc1ccccn1 2708a_100102657272_100000211156 [0,0,2,0,0,0|2,0,0]=4 462 B13R1.718 CNC(=O)NCCc1ccccn1 273464a_100000211156_100102657272 [0,0,2,0,0,0|2,0,0]=4 463 B13R1.718 CNC(=O)NCCc1ccccn1 273464a_100102657272_100000211156 [0,0,2,0,0,0|2,0,0]=4 464 B13R1.718 CNC(=O)NCCc1ccccn1 512a_106832991638_100000211156 [0,0,2,0,0,0|2,0,0]=4 465 B13R1.718 CNC(=O)NCCc1cccnc1 2708a_100000736294_106832991635 [0,0,2,0,0,0|2,0,0]=4 466 B13R1.718 CNC(=O)NCCc1cccnc1 2708a_100102657272_100000736294 [0,0,2,0,0,0|2,0,0]=4 467 B13R1.718 CNC(=O)NCCc1cccnc1 273464a_100000736294_100102657272 [0,0,2,0,0,0|2,0,0]=4 468 B13R1.718 CNC(=O)NCCc1cccnc1 273464a_100102657272_100000736294 [0,0,2,0,0,0|2,0,0]=4 469 B13R1.718 CNC(=O)NCCc1cccnc1 512a_100000736294_100102657272 [0,0,2,0,0,0|2,0,0]=4 470 B13R1.718 CNC(=O)NCCc1cccnc1 512a_106832991638_100000736294 [0,0,2,0,0,0|2,0,0]=4 471 B13R1.718 CNC(=O)NCCc1ccncc1 2708a_100000742849_106832991635 [0,0,2,0,0,0|2,0,0]=4 472 B13R1.718 CNC(=O)NCCc1ccncc1 2708a_100102657272_100000742849 [0,0,2,0,0,0|2,0,0]=4 473 B13R1.718 CNC(=O)NCCc1ccncc1 273464a_100000742849_100102657272 [0,0,2,0,0,0|2,0,0]=4 474 B13R1.718 CNC(=O)NCCc1ccncc1 273464a_100102657272_100000742849 [0,0,2,0,0,0|2,0,0]=4 475 B13R1.718 CNC(=O)NCCc1ccncc1 512a_106832991638_100000742849 [0,0,2,0,0,0|2,0,0]=4 476 B13R1.718 CNC(=O)NNCc1ccccc1 273464a_100102657272_100000007032 [0,0,2,0,0,0|2,0,0]=4 477 B13R1.718 CNC(=O)NNCc1ccccc1 512a_106832991638_100000007032 [0,0,2,0,0,0|2,0,0]=4 478 B13R1.718 O=C(CF)CCCc1ccccc1 1458a_100011207963_100015361967 [0,0,2,0,0,0|2,0,0]=4 479 B13R1.718 O=C(CO)CCCc1ccccc1 1458a_100000210174_100000211621 [0,0,2,0,0,0|2,0,0]=4 480 B13R1.718 O=C(CO)NCCc1ccccc1 240690a_100000106460_100000210174 [0,0,2,0,0,0|1,0,0]=3 481 B13R1.718 O=C(CO)NCCc1ccccc1 527a_100000106460_100000210174 [0,0,2,0,0,0|1,0,0]=3 482 B13R1.718 O=C(CO)NCCc1ccccn1 240690a_100000211156_100000210174 [0,0,2,0,0,0|2,0,0]=4 483 B13R1.718 O=C(CO)NCCc1ccccn1 527a_100000211156_100000210174 [0,0,2,0,0,0|2,0,0]=4 484 B13R1.718 O=C(CO)NCCc1cccnc1 240690a_100000736294_100000210174 [0,0,2,0,0,0|2,0,0]=4 485 B13R1.718 O=C(CO)NCCc1cccnc1 527a_100000736294_100000210174 [0,0,2,0,0,0|2,0,0]=4 486 B13R1.718 O=C(CO)NCCc1ccncc1 240690a_100000742849_100000210174 [0,0,2,0,0,0|2,0,0]=4 487 B13R1.718 O=C(CO)NCCc1ccncc1 527a_100000742849_100000210174 [0,0,2,0,0,0|2,0,0]=4 488 B13R1.718 O=C(CO)NNCc1ccccc1 22a_100000007032_100000210174 [0,0,2,0,0,0|2,0,0]=4 489 B13R1.42 CC#CC(=O)CCc1ccccc1 1458a_100000763181_100000765856 [0,0,2,0,0,0|1,0,1]=4 490 B13R1.42 CC=CC(=O)CCc1ccccc1 1458a_100000210699_100000765856 [0,0,2,0,0,0|1,0,1]=4 491 B13R1.42 CCCC(=O)CCc1ccccc1 1458a_100000185753_100000210303 [0,0,2,0,0,0|1,0,0]=3 492 B13R1.42 CCCC(=O)CCc1ccccc1 1458a_100000211992_100000765856 [0,0,2,0,0,0|1,0,0]=3 493 B13R1.42 CCCC(=O)CCc1ccccn1 1458a_100000211992_100015183660 [0,0,2,0,0,0|2,0,0]=4 494 B13R1.42 CCCC(=O)CCc1ccccn1 1458a_100015195070_100000210303 [0,0,2,0,0,0|2,0,0]=4 495 B13R1.42 CCCC(=O)CCc1cccnc1 1458a_100000198484_100000210303 [0,0,2,0,0,0|2,0,0]=4 496 B13R1.42 CCCC(=O)CCc1cccnc1 1458a_100000211992_200011713674 [0,0,2,0,0,0|2,0,0]=4 497 B13R1.42 CCCC(=O)CCc1ccncc1 1458a_100000211992_100000723409 [0,0,2,0,0,0|2,0,0]=4 498 B13R1.42 CCCC(=O)CCc1ccncc1 1458a_100011225043_100000210303 [0,0,2,0,0,0|2,0,0]=4 499 B13R1.42 CCCC(=O)COc1ccccc1 1458a_100000186222_100000210303 [0,0,2,0,0,0|2,0,0]=4 500 B13R1.42 CCCC(=O)COc1ccccc1 7a_100000210340_100000747444 [0,0,2,0,0,0|2,0,0]=4 501 B13R1.42 CCCC(=O)CSc1ccccc1 1458a_100000211596_100000210303 [0,0,2,0,0,0|2,0,0]=4 502 B13R1.42 CCCC(=O)CSc1ccccc1 62a_100000719477_100000747444 [0,0,2,0,0,0|2,0,0]=4 503 B13R1.42 CCCC(=O)CSc1ccccc1 62a_100000747444_100000041952 [0,0,2,0,0,0|2,0,0]=4 504 B13R1.42 CCCC(=O)NCc1ccccc1 11a_100015324214_100000211992 [0,0,2,0,0,0|2,0,0]=4 505 B13R1.42 CCCC(=O)NCc1ccccc1 1626a_100015324214_100000211992 [0,0,2,0,0,0|2,0,0]=4 506 B13R1.42 CCCC(=O)NCc1ccccc1 240690a_100015324214_100000211992 [0,0,2,0,0,0|2,0,0]=4 507 B13R1.42 CCCC(=O)NCc1ccccc1 527a_100015324214_100000211992 [0,0,2,0,0,0|2,0,0]=4 508 B13R1.42 CCNC(=O)C#Cc1ccccc1 240690a_100015525214_100000736102 [0,0,2,0,0,0|0,0,2]=4 509 B13R1.42 CCNC(=O)C=Cc1ccccc1 11a_100015525214_100000210462 [0,0,2,0,0,0|0,0,2]=4 510 B13R1.42 CCNC(=O)CCc1ccccc1 11a_100015525214_100000185753 [0,0,2,0,0,0|0,0,0]=2 511 B13R1.42 CCNC(=O)CCc1ccccc1 240690a_100015525214_100000185753 [0,0,2,0,0,0|0,0,0]=2 512 B13R1.42 CCNC(=O)CCc1ccccc1 527a_100015525214_100000185753 [0,0,2,0,0,0|0,0,0]=2 513 B13R1.42 CCNC(=O)CCc1ccccn1 11a_100015525214_100015195070 [0,0,2,0,0,0|1,0,0]=3 514 B13R1.42 CCNC(=O)CCc1ccccn1 240690a_100015525214_100015195070 [0,0,2,0,0,0|1,0,0]=3 515 B13R1.42 CCNC(=O)CCc1ccccn1 527a_100015525214_100015195070 [0,0,2,0,0,0|1,0,0]=3 516 B13R1.42 CCNC(=O)CCc1cccnc1 11a_100015525214_100000198484 [0,0,2,0,0,0|1,0,0]=3 517 B13R1.42 CCNC(=O)CCc1cccnc1 240690a_100015525214_100000198484 [0,0,2,0,0,0|1,0,0]=3 518 B13R1.42 CCNC(=O)CCc1cccnc1 527a_100015525214_100000198484 [0,0,2,0,0,0|1,0,0]=3 519 B13R1.42 CCNC(=O)CCc1ccncc1 11a_100015525214_100011225043 [0,0,2,0,0,0|1,0,0]=3 520 B13R1.42 CCNC(=O)CCc1ccncc1 240690a_100015525214_100011225043 [0,0,2,0,0,0|1,0,0]=3 521 B13R1.42 CCNC(=O)CCc1ccncc1 527a_100015525214_100011225043 [0,0,2,0,0,0|1,0,0]=3 522 B13R1.42 CCNC(=O)CNc1ccccc1 34a_100000106764_100000183381 [0,0,2,0,0,0|1,0,0]=3 523 B13R1.42 CCNC(=O)COc1ccccc1 11a_100015525214_100000186222 [0,0,2,0,0,0|1,0,0]=3 524 B13R1.42 CCNC(=O)COc1ccccc1 240690a_100015525214_100000186222 [0,0,2,0,0,0|1,0,0]=3 525 B13R1.42 CCNC(=O)COc1ccccc1 34a_100000210340_100000183381 [0,0,2,0,0,0|1,0,0]=3 526 B13R1.42 CCNC(=O)COc1ccccc1 527a_100015525214_100000186222 [0,0,2,0,0,0|1,0,0]=3 527 B13R1.42 CCNC(=O)COc1ccccc1 7a_100000210340_100000183381 [0,0,2,0,0,0|1,0,0]=3 528 B13R1.42 CCNC(=O)COc1ccccn1 240690a_100015525214_100102699861 [0,0,2,0,0,0|2,0,0]=4 529 B13R1.42 CCNC(=O)COc1ccccn1 527a_100015525214_100102699861 [0,0,2,0,0,0|2,0,0]=4 530 B13R1.42 CCNC(=O)COc1cccnc1 11a_100015525214_100015207166 [0,0,2,0,0,0|2,0,0]=4 531 B13R1.42 CCNC(=O)COc1cccnc1 240690a_100015525214_100015207166 [0,0,2,0,0,0|2,0,0]=4 532 B13R1.42 CCNC(=O)COc1cccnc1 34a_100000210849_100000183381 [0,0,2,0,0,0|2,0,0]=4 533 B13R1.42 CCNC(=O)COc1cccnc1 527a_100015525214_100015207166 [0,0,2,0,0,0|2,0,0]=4 534 B13R1.42 CCNC(=O)COc1cccnc1 7a_100000210849_100000183381 [0,0,2,0,0,0|2,0,0]=4 535 B13R1.42 CCNC(=O)COc1ccncc1 34a_100000212176_100000183381 [0,0,2,0,0,0|2,0,0]=4 536 B13R1.42 CCNC(=O)CSc1ccccc1 11a_100015525214_100000211596 [0,0,2,0,0,0|1,0,0]=3 537 B13R1.42 CCNC(=O)CSc1ccccc1 240690a_100015525214_100000211596 [0,0,2,0,0,0|1,0,0]=3 538 B13R1.42 CCNC(=O)CSc1ccccc1 527a_100015525214_100000211596 [0,0,2,0,0,0|1,0,0]=3 539 B13R1.42 CCNC(=O)CSc1ccccc1 62a_100000183381_100000041952 [0,0,2,0,0,0|1,0,0]=3 540 B13R1.42 CCNC(=O)CSc1ccccc1 62a_100000719477_100000183381 [0,0,2,0,0,0|1,0,0]=3 541 B13R1.42 CCNC(=O)CSc1ccccn1 11a_100015525214_100000156281 [0,0,2,0,0,0|2,0,0]=4 542 B13R1.42 CCNC(=O)CSc1ccccn1 240690a_100015525214_100000156281 [0,0,2,0,0,0|2,0,0]=4 543 B13R1.42 CCNC(=O)CSc1ccccn1 527a_100015525214_100000156281 [0,0,2,0,0,0|2,0,0]=4 544 B13R1.42 CCNC(=O)CSc1ccccn1 62a_100000183381_100011216584 [0,0,2,0,0,0|2,0,0]=4 545 B13R1.42 CCNC(=O)CSc1ccccn1 62a_100011216584_100000183381 [0,0,2,0,0,0|2,0,0]=4 546 B13R1.42 CCNC(=O)CSc1cccnc1 62a_100000183381_100000210063 [0,0,2,0,0,0|2,0,0]=4 547 B13R1.42 CCNC(=O)CSc1cccnc1 62a_100000210063_100000183381 [0,0,2,0,0,0|2,0,0]=4 548 B13R1.42 CCNC(=O)CSc1ccncc1 11a_100015525214_100000211328 [0,0,2,0,0,0|2,0,0]=4 549 B13R1.42 CCNC(=O)CSc1ccncc1 240690a_100015525214_100000211328 [0,0,2,0,0,0|2,0,0]=4 550 B13R1.42 CCNC(=O)CSc1ccncc1 527a_100015525214_100000211328 [0,0,2,0,0,0|2,0,0]=4 551 B13R1.42 CCNC(=O)CSc1ccncc1 62a_100000183381_100000728582 [0,0,2,0,0,0|2,0,0]=4 552 B13R1.42 CCNC(=O)CSc1ccncc1 62a_100000728582_100000183381 [0,0,2,0,0,0|2,0,0]=4 553 B13R1.42 CCNC(=O)NCc1ccccc1 2708a_100015324214_100015525214 [0,0,2,0,0,0|1,0,0]=3 554 B13R1.42 CCNC(=O)NCc1ccccc1 2708a_100015525214_100015324214 [0,0,2,0,0,0|1,0,0]=3 555 B13R1.42 CCNC(=O)NCc1ccccc1 273464a_100015324214_100015525214 [0,0,2,0,0,0|1,0,0]=3 556 B13R1.42 CCNC(=O)NCc1ccccc1 273464a_100015525214_100015324214 [0,0,2,0,0,0|1,0,0]=3 557 B13R1.42 CCNC(=O)NCc1ccccc1 512a_100015324214_100015525214 [0,0,2,0,0,0|1,0,0]=3 558 B13R1.42 CCNC(=O)NCc1ccccc1 512a_100015525214_100015324214 [0,0,2,0,0,0|1,0,0]=3 559 B13R1.42 CCNC(=O)NCc1ccccn1 2708a_100000210449_100015525214 [0,0,2,0,0,0|2,0,0]=4 560 B13R1.42 CCNC(=O)NCc1ccccn1 2708a_100015525214_100000210449 [0,0,2,0,0,0|2,0,0]=4 561 B13R1.42 CCNC(=O)NCc1ccccn1 273464a_100000210449_100015525214 [0,0,2,0,0,0|2,0,0]=4 562 B13R1.42 CCNC(=O)NCc1ccccn1 273464a_100015525214_100000210449 [0,0,2,0,0,0|2,0,0]=4 563 B13R1.42 CCNC(=O)NCc1ccccn1 512a_100015525214_100000210449 [0,0,2,0,0,0|2,0,0]=4 564 B13R1.42 CCNC(=O)NCc1cccnc1 2708a_100000210453_100015525214 [0,0,2,0,0,0|2,0,0]=4 565 B13R1.42 CCNC(=O)NCc1cccnc1 2708a_100015525214_100000210453 [0,0,2,0,0,0|2,0,0]=4 566 B13R1.42 CCNC(=O)NCc1cccnc1 273464a_100000210453_100015525214 [0,0,2,0,0,0|2,0,0]=4 567 B13R1.42 CCNC(=O)NCc1cccnc1 273464a_100015525214_100000210453 [0,0,2,0,0,0|2,0,0]=4 568 B13R1.42 CCNC(=O)NCc1cccnc1 512a_100000210453_100015525214 [0,0,2,0,0,0|2,0,0]=4 569 B13R1.42 CCNC(=O)NCc1cccnc1 512a_100015525214_100000210453 [0,0,2,0,0,0|2,0,0]=4 570 B13R1.42 CCNC(=O)NCc1ccncc1 2708a_100000210450_100015525214 [0,0,2,0,0,0|2,0,0]=4 571 B13R1.42 CCNC(=O)NCc1ccncc1 2708a_100015525214_100000210450 [0,0,2,0,0,0|2,0,0]=4 572 B13R1.42 CCNC(=O)NCc1ccncc1 273464a_100000210450_100015525214 [0,0,2,0,0,0|2,0,0]=4 573 B13R1.42 CCNC(=O)NCc1ccncc1 273464a_100015525214_100000210450 [0,0,2,0,0,0|2,0,0]=4 574 B13R1.42 CCNC(=O)NCc1ccncc1 512a_100015525214_100000210450 [0,0,2,0,0,0|2,0,0]=4 575 B13R1.42 CCNC(=O)NNc1ccccc1 273464a_100015525214_100015195140 [0,0,2,0,0,0|2,0,0]=4 576 B13R1.42 CCNC(=O)NNc1ccccc1 512a_100015525214_100015195140 [0,0,2,0,0,0|2,0,0]=4 577 B13R1.42 CCNC(C)CCc1ccccc1 2230a_100000210798_100000210202 [0,0,2,0,0,0|1,0,1]=4 578 B13R1.42 CCNC(C)CCc1ccccc1 270004a_100015525214_100000210092 [0,0,2,0,0,0|1,0,1]=4 579 B13R1.42 CCNC(C)CCc1ccccc1 34a_100000210798_100000210202 [0,0,2,0,0,0|1,0,1]=4 580 B13R1.42 CCOC(=O)CNc1ccccc1 34a_100000106764_100000188475 [0,0,2,0,0,0|2,0,0]=4 581 B13R1.42 CCOC(=O)COc1ccccc1 34a_100000210340_100000188475 [0,0,2,0,0,0|2,0,0]=4 582 B13R1.42 CCOC(=O)COc1ccccc1 7a_100000210340_100000188475 [0,0,2,0,0,0|2,0,0]=4 583 B13R1.42 CCOC(=O)CSc1ccccc1 62a_100000188475_100000041952 [0,0,2,0,0,0|2,0,0]=4 584 B13R1.42 CCOC(=O)CSc1ccccc1 62a_100000719477_100000188475 [0,0,2,0,0,0|2,0,0]=4 585 B13R1.42 CNCC(=O)CCc1ccccc1 2230a_106832991635_100012361361 [0,0,2,0,0,0|2,0,0]=4 586 B13R1.42 CNCC(=O)CCc1ccccc1 34a_100102657272_100012361361 [0,0,2,0,0,0|2,0,0]=4 587 B13R1.42 CNCC(=O)CCc1ccccc1 7a_106832991635_100012361361 [0,0,2,0,0,0|2,0,0]=4 588 B13R1.42 CNNC(=O)CCc1ccccc1 22a_100016993582_100000185753 [0,0,2,0,0,0|1,0,0]=3 589 B13R1.42 CNNC(=O)CCc1ccccn1 22a_100016993582_100015195070 [0,0,2,0,0,0|2,0,0]=4 590 B13R1.42 CNNC(=O)CCc1cccnc1 22a_100016993582_100000198484 [0,0,2,0,0,0|2,0,0]=4 591 B13R1.42 CNNC(=O)CCc1ccncc1 22a_100016993582_100011225043 [0,0,2,0,0,0|2,0,0]=4 592 B13R1.42 CNNC(=O)COc1ccccc1 22a_100016993582_100000186222 [0,0,2,0,0,0|2,0,0]=4 593 B13R1.42 CNNC(=O)CSc1ccccc1 22a_100016993582_100000211596 [0,0,2,0,0,0|2,0,0]=4 594 B13R1.42 CNNC(=O)NCc1ccccc1 273464a_100015324214_100016993582 [0,0,2,0,0,0|2,0,0]=4 595 B13R1.42 CNNC(=O)NCc1ccccc1 512a_100015324214_100016993582 [0,0,2,0,0,0|2,0,0]=4 596 B13R1.42 CNNC(=O)NCc1ccccc1 512a_100016993582_100015324214 [0,0,2,0,0,0|2,0,0]=4 597 B13R1.42 COCC(=O)CCc1ccccc1 1458a_100000210968_100000765856 [0,0,2,0,0,0|2,0,0]=4 598 B13R1.42 COCC(=O)CCc1ccccc1 34a_100138415774_100012361361 [0,0,2,0,0,0|2,0,0]=4 599 B13R1.42 CSCC(=O)CCc1ccccc1 1458a_100000184570_100000765856 [0,0,2,0,0,0|2,0,0]=4 600 B13R1.42 CSCC(=O)CCc1ccccc1 62a_100012361361_200000210301 [0,0,2,0,0,0|2,0,0]=4 601 B13R1.42 CSCC(=O)CCc1ccccc1 62a_200000210301_100012361361 [0,0,2,0,0,0|2,0,0]=4 602 B13R1.42 O=C(CCF)CCc1ccccc1 1458a_100000185753_100011217306 [0,0,2,0,0,0|2,0,0]=4 603 B13R1.42 O=C(CCO)CCc1ccccc1 1458a_100000185753_100000211926 [0,0,2,0,0,0|2,0,0]=4 604 B13R1.42 O=C(CCO)CCc1ccccc1 1458a_100011216618_100000765856 [0,0,2,0,0,0|2,0,0]=4 605 B13R1.42 O=C(CNc1ccccc1)NCO 34a_100000106764_100000185155 [0,0,2,0,0,0|2,0,0]=4 606 B13R1.42 O=C(COc1ccccc1)NCO 34a_100000210340_100000185155 [0,0,2,0,0,0|2,0,0]=4 607 B13R1.42 O=C(COc1ccccc1)NCO 7a_100000210340_100000185155 [0,0,2,0,0,0|2,0,0]=4 608 B13R1.42 O=C(CSc1ccccc1)NCO 62a_100000185155_100000041952 [0,0,2,0,0,0|2,0,0]=4 609 B13R1.42 O=C(CSc1ccccc1)NCO 62a_100000719477_100000185155 [0,0,2,0,0,0|2,0,0]=4 610 B13R1.42 [13CH3]SCC(=O)CCc1ccccc1 62a_100012361361_200025704644 [0,0,2,0,0,0|2,0,0]=4 611 B13R1.42 [13CH3]SCC(=O)CCc1ccccc1 62a_200025704644_100012361361 [0,0,2,0,0,0|2,0,0]=4 612 B13R1.485 C=CCOc1ccccc1NCC 34a_103624766699_100015514636 [0,0,2,0,0,0|2,0,0]=4 613 B13R1.485 C=CCOc1ccccc1NCC 7a_103624766699_100015514636 [0,0,2,0,0,0|2,0,0]=4 614 B13R1.485 C=CCSc1ccccc1NCC 2230a_100000198565_100000210202 [0,0,2,0,0,0|2,0,0]=4 615 B13R1.485 C=CCSc1ccccc1NCC 62a_100000210623_114873767003 [0,0,2,0,0,0|2,0,0]=4 616 B13R1.485 C=CCSc1ccccc1NCC 62a_114873767003_100000210623 [0,0,2,0,0,0|2,0,0]=4 617 B13R1.485 C=CCSc1ccccc1NCC 7a_100000198565_100000210202 [0,0,2,0,0,0|2,0,0]=4 618 B13R1.485 CC=Cc1ccccc1CCC=O 271570a_100016259895_100011713448 [0,0,2,0,0,0|1,0,1]=4 619 B13R1.485 CCCCc1ccccc1NCC 2230a_200011217597_100000210202 [0,0,2,0,0,0|1,0,1]=4 620 B13R1.485 CCCCc1ccccc1NCC 271570a_100020621405_114873767003 [0,0,2,0,0,0|1,0,1]=4 621 B13R1.485 CCCCc1ccccc1NCC 34a_200011217597_100000210202 [0,0,2,0,0,0|1,0,1]=4 622 B13R1.485 CCCCc1ccccc1NCC 7a_200011217597_100000210202 [0,0,2,0,0,0|1,0,1]=4 623 B13R1.485 CCCc1ccccc1NCC=O 2230a_100000737634_200015260668 [0,0,2,0,0,0|2,0,0]=4 624 B13R1.485 CCCc1ccccc1NCC=O 34a_100000737634_200009817547 [0,0,2,0,0,0|2,0,0]=4 625 B13R1.485 CCCc1ccccc1NCC=O 7a_100000737634_200015260668 [0,0,2,0,0,0|2,0,0]=4 626 B13R1.485 CCCc1ccccc1OCC=O 34a_100011217252_200009817547 [0,0,2,0,0,0|2,0,0]=4 627 B13R1.485 CCCc1ccccc1OCC=O 7a_100011217252_200015260668 [0,0,2,0,0,0|2,0,0]=4 628 B13R1.485 CCNc1ccccc1OCC=O 34a_103624766699_200009817547 [0,0,2,0,0,0|1,0,0]=3 629 B13R1.485 CCNc1ccccc1OCC=O 7a_103624766699_200015260668 [0,0,2,0,0,0|1,0,0]=3 630 B13R1.485 CCNc1ccccc1SCC=O 62a_114873767003_200015260668 [0,0,2,0,0,0|1,0,0]=3 631 B13R1.485 CCNc1ccccc1SCC=O 62a_200015260668_114873767003 [0,0,2,0,0,0|1,0,0]=3 632 B13R1.485 CCOc1ccccc1NCC=O 34a_100000211218_200009817547 [0,0,2,0,0,0|2,0,0]=4 633 B13R1.485 CCOc1ccccc1OCC=O 34a_100000211404_200009817547 [0,0,2,0,0,0|2,0,0]=4 634 B13R1.485 CCOc1ccccc1OCC=O 7a_100000211404_200015260668 [0,0,2,0,0,0|2,0,0]=4 635 B13R1.485 CCOc1ccccc1SCC=O 62a_100000230754_200015260668 [0,0,2,0,0,0|2,0,0]=4 636 B13R1.485 CCOc1ccccc1SCC=O 62a_200015260668_100000230754 [0,0,2,0,0,0|2,0,0]=4 637 B13R1.485 CCSc1ccccc1CCC=O 62a_100000210202_100011713448 [0,0,2,0,0,0|1,0,0]=3 638 B13R1.485 CCSc1ccccc1CCC=O 62a_100011713448_100000210202 [0,0,2,0,0,0|1,0,0]=3 639 B13R1.485 CCSc1ccccc1NCC=O 34a_100011223125_200009817547 [0,0,2,0,0,0|2,0,0]=4 640 B13R1.485 CCSc1ccccc1SCC=O 62a_100000230856_200015260668 [0,0,2,0,0,0|2,0,0]=4 641 B13R1.485 CCSc1ccccc1SCC=O 62a_200015260668_100000230856 [0,0,2,0,0,0|2,0,0]=4 642 B13R1.485 O=CCCc1ccccc1SCF 62a_100011713448_100015361967 [0,0,2,0,0,0|2,0,0]=4 643 B13R1.485 O=CCCc1ccccc1SCF 62a_100015361967_100011713448 [0,0,2,0,0,0|2,0,0]=4 644 B13R1.720 CCC(C(=O)C)c1ccccc1Cl 1458a_100011667493_200000210301 [0,0,2,0,0,0|2,0,0]=4 645 B13R1.720 CCC(C(=O)[13CH3])c1ccccc1Cl 1458a_100011667493_200025704644 [0,0,2,0,0,0|2,0,0]=4 646 B13R1.720 CCN(C(=O)C)c1ccccc1Br 11a_114873767003_100015343762 [0,0,2,0,0,0|1,0,0]=3 647 B13R1.720 CCN(C(=O)C)c1ccccc1Br 1626a_114873767003_100015343762 [0,0,2,0,0,0|1,0,0]=3 648 B13R1.720 CCN(C(=O)C)c1ccccc1C 11a_100000211084_100015343762 [0,0,2,0,0,0|0,0,0]=2 649 B13R1.720 CCN(C(=O)C)c1ccccc1C 1626a_100000211084_100015343762 [0,0,2,0,0,0|0,0,0]=2 650 B13R1.720 CCN(C(=O)C)c1ccccc1C 22a_100000211084_100000070787 [0,0,2,0,0,0|0,0,0]=2 651 B13R1.720 CCN(C(=O)C)c1ccccc1F 11a_100000220365_100015343762 [0,0,2,0,0,0|1,0,0]=3 652 B13R1.720 CCN(C(=O)C)c1ccccc1F 1626a_100000220365_100015343762 [0,0,2,0,0,0|1,0,0]=3 653 B13R1.720 CCN(C(=O)C)c1ccccc1O 22a_103624766699_100000070787 [0,0,2,0,0,0|1,0,0]=3 654 B13R1.720 CCN(c1ccccc1C)C(C)C 2230a_100000211084_100000210206 [0,0,2,0,0,0|1,0,1]=4 655 B13R1.720 CCN(c1ccccc1C)C(C)C 2230a_100000219700_100000210202 [0,0,2,0,0,0|1,0,1]=4 656 B13R1.720 CCN(c1ccccc1C)C(C)C 269982a_100000211084_100000210206 [0,0,2,0,0,0|1,0,1]=4 657 B13R1.720 CCN(c1ccccc1C)C(C)C 269982a_100000219700_100000204670 [0,0,2,0,0,0|1,0,1]=4 658 B13R1.720 CCN(c1ccccc1C)C(C)C 34a_100000211084_100000210206 [0,0,2,0,0,0|1,0,1]=4 659 B13R1.720 CCN(c1ccccc1C)C(C)C 34a_100000219700_100000210202 [0,0,2,0,0,0|1,0,1]=4 660 B13R1.720 CCN(c1ccccc1C)C(C)C 7a_100000219700_100000210202 [0,0,2,0,0,0|1,0,1]=4 661 B13R1.720 COC(C(=O)C)c1ccccc1C 1458a_100012277922_200000210301 [0,0,2,0,0,0|2,0,0]=4 662 B13R1.720 COC(C(=O)[13CH3])c1ccccc1C 1458a_100012277922_200025704644 [0,0,2,0,0,0|2,0,0]=4 663 B13R1.15 C#CC(=O)CCc1cccc(c1)C 1458a_100000211873_100011713685 [0,0,2,0,0,0|1,0,1]=4 664 B13R1.15 C=CC(=O)CCc1cccc(c1)C 1458a_100000185746_100011713685 [0,0,2,0,0,0|1,0,1]=4 665 B13R1.15 CCC(=O)CCc1cccc(c1)Br 1458a_100000184314_100000210202 [0,0,2,0,0,0|2,0,0]=4 666 B13R1.15 CCC(=O)CCc1cccc(c1)Br 1458a_100000210414_100011740638 [0,0,2,0,0,0|2,0,0]=4 667 B13R1.15 CCC(=O)CCc1cccc(c1)C 1458a_100000210414_100011713685 [0,0,2,0,0,0|1,0,0]=3 668 B13R1.15 CCC(=O)CCc1cccc(c1)C 1458a_100000234952_100000210202 [0,0,2,0,0,0|1,0,0]=3 669 B13R1.15 CCC(=O)CCc1cccc(c1)Cl 1458a_100000210414_100011713710 [0,0,2,0,0,0|2,0,0]=4 670 B13R1.15 CCC(=O)CCc1cccc(c1)Cl 1458a_100000235675_100000210202 [0,0,2,0,0,0|2,0,0]=4 671 B13R1.15 CCC(=O)CCc1cccc(c1)F 1458a_100000210414_100011217235 [0,0,2,0,0,0|2,0,0]=4 672 B13R1.15 CCC(=O)CCc1cccc(c1)F 1458a_100000235673_100000210202 [0,0,2,0,0,0|2,0,0]=4 673 B13R1.15 CCC(=O)CCc1cccc(c1)I 1458a_100010007846_100000210202 [0,0,2,0,0,0|2,0,0]=4 674 B13R1.15 CCC(=O)CCc1cccc(c1)O 1458a_100011216126_100000210202 [0,0,2,0,0,0|2,0,0]=4 675 B13R1.15 CCC(=O)COc1cccc(c1)C 1458a_100000183606_100000210202 [0,0,2,0,0,0|2,0,0]=4 676 B13R1.15 CCC(=O)COc1cccc(c1)C 7a_100000210337_100000747405 [0,0,2,0,0,0|2,0,0]=4 677 B13R1.15 CCC(=O)CSc1cccc(c1)C 62a_100000747405_100011215228 [0,0,2,0,0,0|2,0,0]=4 678 B13R1.15 CCC(=O)CSc1cccc(c1)C 62a_100011215228_100000747405 [0,0,2,0,0,0|2,0,0]=4 679 B13R1.15 CCC(=O)NCc1cccc(c1)C 11a_100000185548_100000210414 [0,0,2,0,0,0|2,0,0]=4 680 B13R1.15 CCC(=O)NCc1cccc(c1)C 1626a_100000185548_100000210414 [0,0,2,0,0,0|2,0,0]=4 681 B13R1.15 CCC(=O)NCc1cccc(c1)C 240690a_100000185548_100000210414 [0,0,2,0,0,0|2,0,0]=4 682 B13R1.15 CCC(=O)NCc1cccc(c1)C 527a_100000185548_100000210414 [0,0,2,0,0,0|2,0,0]=4 683 B13R1.15 CNC(=O)C#Cc1cccc(c1)C 240690a_100102657272_100011892726 [0,0,2,0,0,0|0,0,2]=4 684 B13R1.15 CNC(=O)C=Cc1cccc(c1)C 11a_106832991635_100000690095 [0,0,2,0,0,0|0,0,2]=4 685 B13R1.15 CNC(=O)C=Cc1cccc(c1)C 1626a_100102657272_100000690095 [0,0,2,0,0,0|0,0,2]=4 686 B13R1.15 CNC(=O)C=Cc1cccc(c1)C 240690a_100102657272_100000690095 [0,0,2,0,0,0|0,0,2]=4 687 B13R1.15 CNC(=O)CCc1cccc(c1)Br 11a_106832991635_100000184314 [0,0,2,0,0,0|1,0,0]=3 688 B13R1.15 CNC(=O)CCc1cccc(c1)Br 1626a_100102657272_100000184314 [0,0,2,0,0,0|1,0,0]=3 689 B13R1.15 CNC(=O)CCc1cccc(c1)Br 240690a_100102657272_100000184314 [0,0,2,0,0,0|1,0,0]=3 690 B13R1.15 CNC(=O)CCc1cccc(c1)Br 527a_100102657272_100000184314 [0,0,2,0,0,0|1,0,0]=3 691 B13R1.15 CNC(=O)CCc1cccc(c1)C 11a_106832991635_100000234952 [0,0,2,0,0,0|0,0,0]=2 692 B13R1.15 CNC(=O)CCc1cccc(c1)C 1626a_100102657272_100000234952 [0,0,2,0,0,0|0,0,0]=2 693 B13R1.15 CNC(=O)CCc1cccc(c1)C 240690a_100102657272_100000234952 [0,0,2,0,0,0|0,0,0]=2 694 B13R1.15 CNC(=O)CCc1cccc(c1)C 527a_100102657272_100000234952 [0,0,2,0,0,0|0,0,0]=2 695 B13R1.15 CNC(=O)CCc1cccc(c1)Cl 11a_106832991635_100000235675 [0,0,2,0,0,0|1,0,0]=3 696 B13R1.15 CNC(=O)CCc1cccc(c1)Cl 1626a_100102657272_100000235675 [0,0,2,0,0,0|1,0,0]=3 697 B13R1.15 CNC(=O)CCc1cccc(c1)Cl 240690a_100102657272_100000235675 [0,0,2,0,0,0|1,0,0]=3 698 B13R1.15 CNC(=O)CCc1cccc(c1)Cl 527a_100102657272_100000235675 [0,0,2,0,0,0|1,0,0]=3 699 B13R1.15 CNC(=O)CCc1cccc(c1)F 11a_106832991635_100000235673 [0,0,2,0,0,0|1,0,0]=3 700 B13R1.15 CNC(=O)CCc1cccc(c1)F 1626a_100102657272_100000235673 [0,0,2,0,0,0|1,0,0]=3 701 B13R1.15 CNC(=O)CCc1cccc(c1)F 240690a_100102657272_100000235673 [0,0,2,0,0,0|1,0,0]=3 702 B13R1.15 CNC(=O)CCc1cccc(c1)F 527a_100102657272_100000235673 [0,0,2,0,0,0|1,0,0]=3 703 B13R1.15 CNC(=O)CCc1cccc(c1)I 11a_106832991635_100010007846 [0,0,2,0,0,0|1,0,0]=3 704 B13R1.15 CNC(=O)CCc1cccc(c1)I 1626a_100102657272_100010007846 [0,0,2,0,0,0|1,0,0]=3 705 B13R1.15 CNC(=O)CCc1cccc(c1)I 240690a_100102657272_100010007846 [0,0,2,0,0,0|1,0,0]=3 706 B13R1.15 CNC(=O)CCc1cccc(c1)I 527a_100102657272_100010007846 [0,0,2,0,0,0|1,0,0]=3 707 B13R1.15 CNC(=O)CCc1cccc(c1)O 240690a_100102657272_100011216126 [0,0,2,0,0,0|1,0,0]=3 708 B13R1.15 CNC(=O)CCc1cccc(c1)O 527a_100102657272_100011216126 [0,0,2,0,0,0|1,0,0]=3 709 B13R1.15 CNC(=O)CNc1cccc(c1)Br 34a_100000210019_100000183359 [0,0,2,0,0,0|2,0,0]=4 710 B13R1.15 CNC(=O)CNc1cccc(c1)C 2230a_100000188690_100000183359 [0,0,2,0,0,0|1,0,0]=3 711 B13R1.15 CNC(=O)CNc1cccc(c1)C 34a_100000188690_100000183359 [0,0,2,0,0,0|1,0,0]=3 712 B13R1.15 CNC(=O)CNc1cccc(c1)Cl 34a_100000185859_100000183359 [0,0,2,0,0,0|2,0,0]=4 713 B13R1.15 CNC(=O)CNc1cccc(c1)F 34a_100000210047_100000183359 [0,0,2,0,0,0|2,0,0]=4 714 B13R1.15 CNC(=O)CNc1cccc(c1)I 34a_100000211102_100000183359 [0,0,2,0,0,0|2,0,0]=4 715 B13R1.15 CNC(=O)CNc1cccc(c1)O 34a_100000210217_100000183359 [0,0,2,0,0,0|2,0,0]=4 716 B13R1.15 CNC(=O)CNc1ccnc(c1)C 27a_100000693194_100000758586 [0,0,2,0,0,0|2,0,0]=4 717 B13R1.15 CNC(=O)COc1cccc(c1)Br 11a_106832991635_100000182359 [0,0,2,0,0,0|2,0,0]=4 718 B13R1.15 CNC(=O)COc1cccc(c1)Br 1626a_100102657272_100000182359 [0,0,2,0,0,0|2,0,0]=4 719 B13R1.15 CNC(=O)COc1cccc(c1)Br 240690a_100102657272_100000182359 [0,0,2,0,0,0|2,0,0]=4 720 B13R1.15 CNC(=O)COc1cccc(c1)Br 34a_100000210342_100000183359 [0,0,2,0,0,0|2,0,0]=4 721 B13R1.15 CNC(=O)COc1cccc(c1)Br 527a_100102657272_100000182359 [0,0,2,0,0,0|2,0,0]=4 722 B13R1.15 CNC(=O)COc1cccc(c1)Br 7a_100000210342_100000183359 [0,0,2,0,0,0|2,0,0]=4 723 B13R1.15 CNC(=O)COc1cccc(c1)C 11a_106832991635_100000183606 [0,0,2,0,0,0|1,0,0]=3 724 B13R1.15 CNC(=O)COc1cccc(c1)C 1626a_100102657272_100000183606 [0,0,2,0,0,0|1,0,0]=3 725 B13R1.15 CNC(=O)COc1cccc(c1)C 240690a_100102657272_100000183606 [0,0,2,0,0,0|1,0,0]=3 726 B13R1.15 CNC(=O)COc1cccc(c1)C 34a_100000210337_100000183359 [0,0,2,0,0,0|1,0,0]=3 727 B13R1.15 CNC(=O)COc1cccc(c1)C 527a_100102657272_100000183606 [0,0,2,0,0,0|1,0,0]=3 728 B13R1.15 CNC(=O)COc1cccc(c1)C 7a_100000210337_100000183359 [0,0,2,0,0,0|1,0,0]=3 729 B13R1.15 CNC(=O)COc1cccc(c1)Cl 11a_106832991635_100000184978 [0,0,2,0,0,0|2,0,0]=4 730 B13R1.15 CNC(=O)COc1cccc(c1)Cl 1626a_100102657272_100000184978 [0,0,2,0,0,0|2,0,0]=4 731 B13R1.15 CNC(=O)COc1cccc(c1)Cl 240690a_100102657272_100000184978 [0,0,2,0,0,0|2,0,0]=4 732 B13R1.15 CNC(=O)COc1cccc(c1)Cl 34a_100000210295_100000183359 [0,0,2,0,0,0|2,0,0]=4 733 B13R1.15 CNC(=O)COc1cccc(c1)Cl 527a_100102657272_100000184978 [0,0,2,0,0,0|2,0,0]=4 734 B13R1.15 CNC(=O)COc1cccc(c1)Cl 7a_100000210295_100000183359 [0,0,2,0,0,0|2,0,0]=4 735 B13R1.15 CNC(=O)COc1cccc(c1)F 11a_106832991635_100000182781 [0,0,2,0,0,0|2,0,0]=4 736 B13R1.15 CNC(=O)COc1cccc(c1)F 1626a_100102657272_100000182781 [0,0,2,0,0,0|2,0,0]=4 737 B13R1.15 CNC(=O)COc1cccc(c1)F 240690a_100102657272_100000182781 [0,0,2,0,0,0|2,0,0]=4 738 B13R1.15 CNC(=O)COc1cccc(c1)F 34a_100000210426_100000183359 [0,0,2,0,0,0|2,0,0]=4 739 B13R1.15 CNC(=O)COc1cccc(c1)F 527a_100102657272_100000182781 [0,0,2,0,0,0|2,0,0]=4 740 B13R1.15 CNC(=O)COc1cccc(c1)F 7a_100000210426_100000183359 [0,0,2,0,0,0|2,0,0]=4 741 B13R1.15 CNC(=O)COc1cccc(c1)I 34a_100000211634_100000183359 [0,0,2,0,0,0|2,0,0]=4 742 B13R1.15 CNC(=O)COc1cccc(c1)I 7a_100000211634_100000183359 [0,0,2,0,0,0|2,0,0]=4 743 B13R1.15 CNC(=O)COc1cccc(c1)N 34a_100000210217_100000183359 [0,0,2,0,0,0|2,0,0]=4 744 B13R1.15 CNC(=O)COc1cccc(c1)O 271570a_203496583355_200000150594 [0,0,2,0,0,0|2,0,0]=4 745 B13R1.15 CNC(=O)COc1ccnc(c1)C 34a_100000688365_100000183359 [0,0,2,0,0,0|2,0,0]=4 746 B13R1.15 CNC(=O)COc1cncc(c1)C 34a_100011830280_100000183359 [0,0,2,0,0,0|2,0,0]=4 747 B13R1.15 CNC(=O)COc1cncc(c1)C 7a_100011830280_100000183359 [0,0,2,0,0,0|2,0,0]=4 748 B13R1.15 CNC(=O)CSc1cc(ccn1)C 62a_100000183359_100000750283 [0,0,2,0,0,0|2,0,0]=4 749 B13R1.15 CNC(=O)CSc1cc(ccn1)C 62a_100000750283_100000183359 [0,0,2,0,0,0|2,0,0]=4 750 B13R1.15 CNC(=O)CSc1ccc[n+](c1)C 62a_100000183359_100009996589 [0,0,2,0,0,0|2,0,0]=4 751 B13R1.15 CNC(=O)CSc1ccc[n+](c1)C 62a_100009996589_100000183359 [0,0,2,0,0,0|2,0,0]=4 752 B13R1.15 CNC(=O)CSc1cccc(c1)Br 11a_106832991635_100000760868 [0,0,2,0,0,0|2,0,0]=4 753 B13R1.15 CNC(=O)CSc1cccc(c1)Br 1626a_100102657272_100000760868 [0,0,2,0,0,0|2,0,0]=4 754 B13R1.15 CNC(=O)CSc1cccc(c1)Br 240690a_100102657272_100000760868 [0,0,2,0,0,0|2,0,0]=4 755 B13R1.15 CNC(=O)CSc1cccc(c1)Br 527a_100102657272_100000760868 [0,0,2,0,0,0|2,0,0]=4 756 B13R1.15 CNC(=O)CSc1cccc(c1)Br 62a_100000183359_100000691529 [0,0,2,0,0,0|2,0,0]=4 757 B13R1.15 CNC(=O)CSc1cccc(c1)Br 62a_100000691529_100000183359 [0,0,2,0,0,0|2,0,0]=4 758 B13R1.15 CNC(=O)CSc1cccc(c1)C 62a_100000183359_100011215228 [0,0,2,0,0,0|1,0,0]=3 759 B13R1.15 CNC(=O)CSc1cccc(c1)C 62a_100011215228_100000183359 [0,0,2,0,0,0|1,0,0]=3 760 B13R1.15 CNC(=O)CSc1cccc(c1)Cl 62a_100000183359_100000699651 [0,0,2,0,0,0|2,0,0]=4 761 B13R1.15 CNC(=O)CSc1cccc(c1)Cl 62a_100000699651_100000183359 [0,0,2,0,0,0|2,0,0]=4 762 B13R1.15 CNC(=O)CSc1cccc(c1)F 62a_100000183359_100000685547 [0,0,2,0,0,0|2,0,0]=4 763 B13R1.15 CNC(=O)CSc1cccc(c1)F 62a_100000685547_100000183359 [0,0,2,0,0,0|2,0,0]=4 764 B13R1.15 CNC(=O)CSc1cccc(c1)N 62a_100000183359_100000210019 [0,0,2,0,0,0|2,0,0]=4 765 B13R1.15 CNC(=O)CSc1cccc(c1)N 62a_100000210019_100000183359 [0,0,2,0,0,0|2,0,0]=4 766 B13R1.15 CNC(=O)CSc1cccc(c1)O 62a_100000183359_100000211634 [0,0,2,0,0,0|2,0,0]=4 767 B13R1.15 CNC(=O)CSc1cccc(c1)[S] 62a_100000183359_114929384022 [0,0,2,0,0,0|2,0,0]=4 768 B13R1.15 CNC(=O)CSc1cccc(c1)[S] 62a_114929384022_100000183359 [0,0,2,0,0,0|2,0,0]=4 769 B13R1.15 CNC(=O)CSc1cccc(n1)C 62a_100000183359_100000742759 [0,0,2,0,0,0|2,0,0]=4 770 B13R1.15 CNC(=O)CSc1cccc(n1)C 62a_100000742759_100000183359 [0,0,2,0,0,0|2,0,0]=4 771 B13R1.15 CNC(=O)CSc1ccnc(c1)C 62a_100000183359_100000758586 [0,0,2,0,0,0|2,0,0]=4 772 B13R1.15 CNC(=O)CSc1ccnc(c1)C 62a_100000758586_100000183359 [0,0,2,0,0,0|2,0,0]=4 773 B13R1.15 CNC(=O)CSc1cncc(c1)C 62a_100000183359_100000760492 [0,0,2,0,0,0|2,0,0]=4 774 B13R1.15 CNC(=O)CSc1cncc(c1)C 62a_100000760492_100000183359 [0,0,2,0,0,0|2,0,0]=4 775 B13R1.15 CNC(=O)NCc1cc(ccn1)C 2708a_100011934573_106832991635 [0,0,2,0,0,0|2,0,0]=4 776 B13R1.15 CNC(=O)NCc1cc(ccn1)C 2708a_100102657272_100011934573 [0,0,2,0,0,0|2,0,0]=4 777 B13R1.15 CNC(=O)NCc1cc(ccn1)C 273464a_100011934573_100102657272 [0,0,2,0,0,0|2,0,0]=4 778 B13R1.15 CNC(=O)NCc1cc(ccn1)C 273464a_100102657272_100011934573 [0,0,2,0,0,0|2,0,0]=4 779 B13R1.15 CNC(=O)NCc1cc(ccn1)C 512a_100011934573_100102657272 [0,0,2,0,0,0|2,0,0]=4 780 B13R1.15 CNC(=O)NCc1cc(ccn1)C 512a_106832991638_100011934573 [0,0,2,0,0,0|2,0,0]=4 781 B13R1.15 CNC(=O)NCc1cccc(c1)Br 2708a_100000174977_106832991635 [0,0,2,0,0,0|2,0,0]=4 782 B13R1.15 CNC(=O)NCc1cccc(c1)Br 2708a_100102657272_100000174977 [0,0,2,0,0,0|2,0,0]=4 783 B13R1.15 CNC(=O)NCc1cccc(c1)Br 273464a_100000174977_100102657272 [0,0,2,0,0,0|2,0,0]=4 784 B13R1.15 CNC(=O)NCc1cccc(c1)Br 273464a_100102657272_100000174977 [0,0,2,0,0,0|2,0,0]=4 785 B13R1.15 CNC(=O)NCc1cccc(c1)Br 512a_100000174977_100102657272 [0,0,2,0,0,0|2,0,0]=4 786 B13R1.15 CNC(=O)NCc1cccc(c1)Br 512a_106832991638_100000174977 [0,0,2,0,0,0|2,0,0]=4 787 B13R1.15 CNC(=O)NCc1cccc(c1)C 2708a_100000185548_106832991635 [0,0,2,0,0,0|1,0,0]=3 788 B13R1.15 CNC(=O)NCc1cccc(c1)C 2708a_100102657272_100000185548 [0,0,2,0,0,0|1,0,0]=3 789 B13R1.15 CNC(=O)NCc1cccc(c1)C 273464a_100000185548_100102657272 [0,0,2,0,0,0|1,0,0]=3 790 B13R1.15 CNC(=O)NCc1cccc(c1)C 273464a_100102657272_100000185548 [0,0,2,0,0,0|1,0,0]=3 791 B13R1.15 CNC(=O)NCc1cccc(c1)C 512a_100000185548_100102657272 [0,0,2,0,0,0|1,0,0]=3 792 B13R1.15 CNC(=O)NCc1cccc(c1)C 512a_106832991638_100000185548 [0,0,2,0,0,0|1,0,0]=3 793 B13R1.15 CNC(=O)NCc1cccc(c1)Cl 2708a_100000174878_106832991635 [0,0,2,0,0,0|2,0,0]=4 794 B13R1.15 CNC(=O)NCc1cccc(c1)Cl 2708a_100102657272_100000174878 [0,0,2,0,0,0|2,0,0]=4 795 B13R1.15 CNC(=O)NCc1cccc(c1)Cl 273464a_100000174878_100102657272 [0,0,2,0,0,0|2,0,0]=4 796 B13R1.15 CNC(=O)NCc1cccc(c1)Cl 273464a_100102657272_100000174878 [0,0,2,0,0,0|2,0,0]=4 797 B13R1.15 CNC(=O)NCc1cccc(c1)Cl 512a_100000174878_100102657272 [0,0,2,0,0,0|2,0,0]=4 798 B13R1.15 CNC(=O)NCc1cccc(c1)Cl 512a_106832991638_100000174878 [0,0,2,0,0,0|2,0,0]=4 799 B13R1.15 CNC(=O)NCc1cccc(c1)F 2708a_100000174948_106832991635 [0,0,2,0,0,0|2,0,0]=4 800 B13R1.15 CNC(=O)NCc1cccc(c1)F 2708a_100102657272_100000174948 [0,0,2,0,0,0|2,0,0]=4 801 B13R1.15 CNC(=O)NCc1cccc(c1)F 273464a_100000174948_100102657272 [0,0,2,0,0,0|2,0,0]=4 802 B13R1.15 CNC(=O)NCc1cccc(c1)F 273464a_100102657272_100000174948 [0,0,2,0,0,0|2,0,0]=4 803 B13R1.15 CNC(=O)NCc1cccc(c1)F 512a_100000174948_100102657272 [0,0,2,0,0,0|2,0,0]=4 804 B13R1.15 CNC(=O)NCc1cccc(c1)F 512a_106832991638_100000174948 [0,0,2,0,0,0|2,0,0]=4 805 B13R1.15 CNC(=O)NCc1cccc(c1)I 2708a_100000106179_106832991635 [0,0,2,0,0,0|2,0,0]=4 806 B13R1.15 CNC(=O)NCc1cccc(c1)I 2708a_100102657272_100000106179 [0,0,2,0,0,0|2,0,0]=4 807 B13R1.15 CNC(=O)NCc1cccc(c1)I 273464a_100000106179_100102657272 [0,0,2,0,0,0|2,0,0]=4 808 B13R1.15 CNC(=O)NCc1cccc(c1)I 273464a_100102657272_100000106179 [0,0,2,0,0,0|2,0,0]=4 809 B13R1.15 CNC(=O)NCc1cccc(c1)I 512a_100000106179_100102657272 [0,0,2,0,0,0|2,0,0]=4 810 B13R1.15 CNC(=O)NCc1cccc(c1)I 512a_106832991638_100000106179 [0,0,2,0,0,0|2,0,0]=4 811 B13R1.15 CNC(=O)NCc1cccc(c1)O 2708a_100000743036_106832991635 [0,0,2,0,0,0|2,0,0]=4 812 B13R1.15 CNC(=O)NCc1cccc(c1)O 2708a_100102657272_100000743036 [0,0,2,0,0,0|2,0,0]=4 813 B13R1.15 CNC(=O)NCc1cccc(c1)O 273464a_100000743036_100102657272 [0,0,2,0,0,0|2,0,0]=4 814 B13R1.15 CNC(=O)NCc1cccc(c1)O 273464a_100102657272_100000743036 [0,0,2,0,0,0|2,0,0]=4 815 B13R1.15 CNC(=O)NCc1cccc(c1)O 512a_100000743036_100102657272 [0,0,2,0,0,0|2,0,0]=4 816 B13R1.15 CNC(=O)NCc1cccc(c1)O 512a_106832991638_100000743036 [0,0,2,0,0,0|2,0,0]=4 817 B13R1.15 CNC(=O)NCc1cccc(n1)C 2708a_100000701342_106832991635 [0,0,2,0,0,0|2,0,0]=4 818 B13R1.15 CNC(=O)NCc1cccc(n1)C 2708a_100102657272_100000701342 [0,0,2,0,0,0|2,0,0]=4 819 B13R1.15 CNC(=O)NCc1cccc(n1)C 273464a_100000701342_100102657272 [0,0,2,0,0,0|2,0,0]=4 820 B13R1.15 CNC(=O)NCc1cccc(n1)C 273464a_100102657272_100000701342 [0,0,2,0,0,0|2,0,0]=4 821 B13R1.15 CNC(=O)NCc1cccc(n1)C 512a_100000701342_100102657272 [0,0,2,0,0,0|2,0,0]=4 822 B13R1.15 CNC(=O)NCc1cccc(n1)C 512a_106832991638_100000701342 [0,0,2,0,0,0|2,0,0]=4 823 B13R1.15 CNC(=O)NCc1ccnc(c1)C 2708a_100011934566_106832991635 [0,0,2,0,0,0|2,0,0]=4 824 B13R1.15 CNC(=O)NCc1ccnc(c1)C 2708a_100102657272_100011934566 [0,0,2,0,0,0|2,0,0]=4 825 B13R1.15 CNC(=O)NCc1ccnc(c1)C 273464a_100011934566_100102657272 [0,0,2,0,0,0|2,0,0]=4 826 B13R1.15 CNC(=O)NCc1ccnc(c1)C 273464a_100102657272_100011934566 [0,0,2,0,0,0|2,0,0]=4 827 B13R1.15 CNC(=O)NCc1ccnc(c1)C 512a_100011934566_100102657272 [0,0,2,0,0,0|2,0,0]=4 828 B13R1.15 CNC(=O)NCc1ccnc(c1)C 512a_106832991638_100011934566 [0,0,2,0,0,0|2,0,0]=4 829 B13R1.15 CNC(=O)NCc1cncc(c1)C 2708a_100000692839_106832991635 [0,0,2,0,0,0|2,0,0]=4 830 B13R1.15 CNC(=O)NCc1cncc(c1)C 2708a_100102657272_100000692839 [0,0,2,0,0,0|2,0,0]=4 831 B13R1.15 CNC(=O)NCc1cncc(c1)C 273464a_100000692839_100102657272 [0,0,2,0,0,0|2,0,0]=4 832 B13R1.15 CNC(=O)NCc1cncc(c1)C 273464a_100102657272_100000692839 [0,0,2,0,0,0|2,0,0]=4 833 B13R1.15 CNC(=O)NCc1cncc(c1)C 512a_100000692839_100102657272 [0,0,2,0,0,0|2,0,0]=4 834 B13R1.15 CNC(=O)NCc1cncc(c1)C 512a_106832991638_100000692839 [0,0,2,0,0,0|2,0,0]=4 835 B13R1.15 CNC(=O)NNc1cccc(c1)C 273464a_100102657272_100000681630 [0,0,2,0,0,0|2,0,0]=4 836 B13R1.15 CNC(=O)NNc1cccc(c1)C 512a_100000681630_100102657272 [0,0,2,0,0,0|2,0,0]=4 837 B13R1.15 CNC(=O)NNc1cccc(c1)C 512a_106832991638_100000681630 [0,0,2,0,0,0|2,0,0]=4 838 B13R1.15 COC(=O)CCc1cccc(c1)O 271570a_203496583355_100000151591 [0,0,2,0,0,0|2,0,0]=4 839 B13R1.15 COC(=O)CNc1cccc(c1)C 2230a_100000188690_100000747449 [0,0,2,0,0,0|2,0,0]=4 840 B13R1.15 COC(=O)CNc1cccc(c1)C 34a_100000188690_100000747449 [0,0,2,0,0,0|2,0,0]=4 841 B13R1.15 COC(=O)COc1cccc(c1)C 34a_100000210337_100000747449 [0,0,2,0,0,0|2,0,0]=4 842 B13R1.15 COC(=O)COc1cccc(c1)C 7a_100000210337_100000747449 [0,0,2,0,0,0|2,0,0]=4 843 B13R1.15 COC(=O)CSc1cccc(c1)C 62a_100000747449_100011215228 [0,0,2,0,0,0|2,0,0]=4 844 B13R1.15 COC(=O)CSc1cccc(c1)C 62a_100011215228_100000747449 [0,0,2,0,0,0|2,0,0]=4 845 B13R1.15 Cc1cccc(c1)CCC(=O)CF 1458a_100000234952_100015361967 [0,0,2,0,0,0|2,0,0]=4 846 B13R1.15 Cc1cccc(c1)CCC(=O)CO 1458a_100000210174_100011713685 [0,0,2,0,0,0|2,0,0]=4 847 B13R1.149 CC(=O)CCCc1cccc(c1)Br 1458a_100000070787_100011713683 [0,0,2,0,0,0|2,0,0]=4 848 B13R1.149 CC(=O)CCCc1cccc(c1)Br 1458a_100000685939_200000210301 [0,0,2,0,0,0|2,0,0]=4 849 B13R1.149 CC(=O)CCCc1cccc(c1)F 1458a_100000070787_200000698031 [0,0,2,0,0,0|2,0,0]=4 850 B13R1.149 CC(=O)CCOc1cccc(c1)C 1458a_100000182325_200000210301 [0,0,2,0,0,0|2,0,0]=4 851 B13R1.149 CC(=O)CCOc1cccc(c1)C 7a_100000210337_100000053229 [0,0,2,0,0,0|2,0,0]=4 852 B13R1.149 CC(=O)CCSc1cccc(c1)C 62a_100000053229_100011215228 [0,0,2,0,0,0|2,0,0]=4 853 B13R1.149 CC(=O)CCSc1cccc(c1)C 62a_100011215228_100000053229 [0,0,2,0,0,0|2,0,0]=4 854 B13R1.149 CC(=O)COCc1cccc(c1)C 34a_100000211253_100000211840 [0,0,2,0,0,0|2,0,0]=4 855 B13R1.149 CC(=O)NCCc1cccc(c1)Br 11a_100011207229_100015343762 [0,0,2,0,0,0|1,0,0]=3 856 B13R1.149 CC(=O)NCCc1cccc(c1)Br 1626a_100011207229_100015343762 [0,0,2,0,0,0|1,0,0]=3 857 B13R1.149 CC(=O)NCCc1cccc(c1)Br 240690a_100011207229_100015343762 [0,0,2,0,0,0|1,0,0]=3 858 B13R1.149 CC(=O)NCCc1cccc(c1)Br 527a_100011207229_100103153847 [0,0,2,0,0,0|1,0,0]=3 859 B13R1.149 CC(=O)NCCc1cccc(c1)C 11a_100000749837_100015343762 [0,0,2,0,0,0|0,0,0]=2 860 B13R1.149 CC(=O)NCCc1cccc(c1)C 1626a_100000749837_100015343762 [0,0,2,0,0,0|0,0,0]=2 861 B13R1.149 CC(=O)NCCc1cccc(c1)C 240690a_100000749837_100015343762 [0,0,2,0,0,0|0,0,0]=2 862 B13R1.149 CC(=O)NCCc1cccc(c1)C 527a_100000749837_100103153847 [0,0,2,0,0,0|0,0,0]=2 863 B13R1.149 CC(=O)NCCc1cccc(c1)Cl 11a_100000185263_100015343762 [0,0,2,0,0,0|1,0,0]=3 864 B13R1.149 CC(=O)NCCc1cccc(c1)Cl 1626a_100000185263_100015343762 [0,0,2,0,0,0|1,0,0]=3 865 B13R1.149 CC(=O)NCCc1cccc(c1)Cl 240690a_100000185263_100015343762 [0,0,2,0,0,0|1,0,0]=3 866 B13R1.149 CC(=O)NCCc1cccc(c1)Cl 527a_100000185263_100103153847 [0,0,2,0,0,0|1,0,0]=3 867 B13R1.149 CC(=O)NCCc1cccc(c1)F 11a_100000205154_100015343762 [0,0,2,0,0,0|1,0,0]=3 868 B13R1.149 CC(=O)NCCc1cccc(c1)F 1626a_100000205154_100015343762 [0,0,2,0,0,0|1,0,0]=3 869 B13R1.149 CC(=O)NCCc1cccc(c1)F 240690a_100000205154_100015343762 [0,0,2,0,0,0|1,0,0]=3 870 B13R1.149 CC(=O)NCCc1cccc(c1)F 527a_100000205154_100103153847 [0,0,2,0,0,0|1,0,0]=3 871 B13R1.149 CC(=O)NCCc1cccc(c1)O 240690a_100000747277_100015343762 [0,0,2,0,0,0|1,0,0]=3 872 B13R1.149 CC(=O)NCCc1cccc(c1)O 527a_100000747277_100103153847 [0,0,2,0,0,0|1,0,0]=3 873 B13R1.149 CC(=O)NCCc1cccc(n1)C 11a_100011824523_100015343762 [0,0,2,0,0,0|1,0,0]=3 874 B13R1.149 CC(=O)NCCc1cccc(n1)C 1626a_100011824523_100015343762 [0,0,2,0,0,0|1,0,0]=3 875 B13R1.149 CC(=O)NCCc1cccc(n1)C 240690a_100011824523_100015343762 [0,0,2,0,0,0|1,0,0]=3 876 B13R1.149 CC(=O)NCCc1cccc(n1)C 527a_100011824523_100103153847 [0,0,2,0,0,0|1,0,0]=3 877 B13R1.149 CC(=O)NN=Cc1cccc(c1)C 4a_100000189765_100000211157 [0,0,2,0,0,0|1,0,1]=4 878 B13R1.149 CC(=O)NNCc1cccc(c1)Br 22a_100000686200_100000070787 [0,0,2,0,0,0|2,0,0]=4 879 B13R1.149 CC(=O)NNCc1cccc(c1)C 22a_100000689898_100000070787 [0,0,2,0,0,0|1,0,0]=3 880 B13R1.149 CC(=O)NNCc1cccc(c1)Cl 22a_100000685877_100000070787 [0,0,2,0,0,0|2,0,0]=4 881 B13R1.149 CC(=O)NNCc1cccc(c1)F 22a_100016993953_100000070787 [0,0,2,0,0,0|2,0,0]=4 882 B13R1.149 CC(=O)NNCc1cccc(c1)O 22a_100000008902_100000070787 [0,0,2,0,0,0|2,0,0]=4 883 B13R1.149 CC(=O)OCNc1cccc(c1)C 34a_100000188690_100009813279 [0,0,2,0,0,0|2,0,0]=4 884 B13R1.149 CC(=O)OCOc1cccc(c1)C 34a_100000210337_100009813279 [0,0,2,0,0,0|2,0,0]=4 885 B13R1.149 CC(=O)OCSc1cccc(c1)C 62a_100000076356_100011215228 [0,0,2,0,0,0|2,0,0]=4 886 B13R1.149 CC(=O)OCSc1cccc(c1)C 62a_100011215228_100000076356 [0,0,2,0,0,0|2,0,0]=4 887 B13R1.149 Cc1cccc(c1)CCNC(C)C 2230a_100000749837_100000210206 [0,0,2,0,0,0|1,0,1]=4 888 B13R1.149 Cc1cccc(c1)CCNC(C)C 2230a_100138425928_100011713685 [0,0,2,0,0,0|1,0,1]=4 889 B13R1.149 Cc1cccc(c1)CCNC(C)C 34a_100000749837_100000210206 [0,0,2,0,0,0|1,0,1]=4 890 B13R1.149 Cc1cccc(c1)CCNC(C)C 34a_100138425928_100011713685 [0,0,2,0,0,0|1,0,1]=4 891 B13R1.149 Cc1cccc(c1)OCCC(=O)[13CH3] 1458a_100000182325_200025704644 [0,0,2,0,0,0|2,0,0]=4 892 B13R1.149 [13CH3]C(=O)CCCc1cccc(c1)Br 1458a_100000685939_200025704644 [0,0,2,0,0,0|2,0,0]=4 893 B13R1.567 C=CCOc1cccc(c1)CCN 34a_100000747277_100015514636 [0,0,2,0,0,0|2,0,0]=4 894 B13R1.567 C=CCSc1cccc(c1)CCN 62a_100000210623_100011207229 [0,0,2,0,0,0|2,0,0]=4 895 B13R1.567 C=CCSc1cccc(c1)CCN 62a_100011207229_100000210623 [0,0,2,0,0,0|2,0,0]=4 896 B13R1.567 CCCCc1cccc(c1)CCN 271570a_100020621405_100011207229 [0,0,2,0,0,0|1,0,1]=4 897 B13R1.567 CCCc1cccc(c1)OCC=O 34a_100000039106_200009817547 [0,0,2,0,0,0|2,0,0]=4 898 B13R1.567 CCCc1cccc(c1)OCC=O 7a_100000039106_200015260668 [0,0,2,0,0,0|2,0,0]=4 899 B13R1.567 CCCc1cccc(c1)SCC=O 62a_100000694964_200015260668 [0,0,2,0,0,0|2,0,0]=4 900 B13R1.567 CCCc1cccc(c1)SCC=O 62a_200015260668_100000694964 [0,0,2,0,0,0|2,0,0]=4 901 B13R1.567 NCCc1cccc(c1)OCC=O 34a_100000747277_200009817547 [0,0,2,0,0,0|1,0,0]=3 902 B13R1.567 NCCc1cccc(c1)SCC=O 62a_100011207229_200015260668 [0,0,2,0,0,0|1,0,0]=3 903 B13R1.567 NCCc1cccc(c1)SCC=O 62a_200015260668_100011207229 [0,0,2,0,0,0|1,0,0]=3 904 B13R1.567 NNCc1cccc(c1)OCC=O 34a_100000008902_200009817547 [0,0,2,0,0,0|2,0,0]=4 905 B13R1.567 NNCc1cccc(c1)SCC=O 62a_100000686200_200015260668 [0,0,2,0,0,0|2,0,0]=4 906 B13R1.567 NNCc1cccc(c1)SCC=O 62a_200015260668_100000686200 [0,0,2,0,0,0|2,0,0]=4 907 B13R1.567 O=CCNc1cccc(c1)CCO 2230a_100011996697_200015260668 [0,0,2,0,0,0|2,0,0]=4 908 B13R1.567 O=CCNc1cccc(c1)CCO 34a_100011996697_200009817547 [0,0,2,0,0,0|2,0,0]=4 909 B13R1.567 O=CCOc1cccc(c1)CCO 34a_100011215281_200009817547 [0,0,2,0,0,0|2,0,0]=4 910 B13R1.567 O=CCOc1cccc(c1)CCO 7a_100011215281_200015260668 [0,0,2,0,0,0|2,0,0]=4 911 B13R1.567 O=CCSc1cccc(c1)CCO 62a_100011217444_200015260668 [0,0,2,0,0,0|2,0,0]=4 912 B13R1.567 O=CCSc1cccc(c1)CCO 62a_200015260668_100011217444 [0,0,2,0,0,0|2,0,0]=4 913 B13R1.643 C=Cc1cccc(c1)CCC(=O)N 271570a_100011290941_100000162029 [0,0,2,0,0,0|0,0,2]=4 914 B13R1.643 CC(=O)CCc1cccc(c1)S[13CH3] 62a_100011279149_200025704644 [0,0,2,0,0,0|2,0,0]=4 915 B13R1.643 CC(=O)CCc1cccc(c1)S[13CH3] 62a_200025704644_100011279149 [0,0,2,0,0,0|2,0,0]=4 916 B13R1.643 CC[n+]1cccc(c1)OCC(=O)N 34a_100000731997_100000187820 [0,0,2,0,0,0|2,0,0]=4 917 B13R1.643 CC[n+]1cccc(c1)OCC(=O)N 7a_100000731997_100000187820 [0,0,2,0,0,0|2,0,0]=4 918 B13R1.643 CCc1cc(ccn1)SCC(=O)N 62a_100000747473_100009820011 [0,0,2,0,0,0|2,0,0]=4 919 B13R1.643 CCc1cc(ccn1)SCC(=O)N 62a_100009820011_100000747473 [0,0,2,0,0,0|2,0,0]=4 920 B13R1.643 CCc1cccc(c1)NCC(=O)N 2230a_100000211250_100000747473 [0,0,2,0,0,0|1,0,0]=3 921 B13R1.643 CCc1cccc(c1)NCC(=O)N 34a_100000211250_100000187820 [0,0,2,0,0,0|1,0,0]=3 922 B13R1.643 CCc1cccc(c1)NCC(=O)N 7a_100000211250_100000187820 [0,0,2,0,0,0|1,0,0]=3 923 B13R1.643 CCc1cccc(c1)NCC(=O)[O-] 34a_100000211250_100020667443 [0,0,2,0,0,0|2,0,0]=4 924 B13R1.643 CCc1cccc(c1)OCC(=O)N 34a_100000211550_100000187820 [0,0,2,0,0,0|1,0,0]=3 925 B13R1.643 CCc1cccc(c1)OCC(=O)N 7a_100000211550_100000187820 [0,0,2,0,0,0|1,0,0]=3 926 B13R1.643 CCc1cccc(c1)OCC(=O)[O-] 34a_100000211550_100020667443 [0,0,2,0,0,0|2,0,0]=4 927 B13R1.643 CCc1cccc(c1)SCC(=O)N 62a_100000747473_100011263222 [0,0,2,0,0,0|1,0,0]=3 928 B13R1.643 CCc1cccc(c1)SCC(=O)N 62a_100011263222_100000747473 [0,0,2,0,0,0|1,0,0]=3 929 B13R1.643 CCc1cccc(c1)SCC(=O)[O-] 62a_100011263222_100020667443 [0,0,2,0,0,0|2,0,0]=4 930 B13R1.643 CCc1cccc(c1)SCC(=O)[O-] 62a_100020667443_100011263222 [0,0,2,0,0,0|2,0,0]=4 931 B13R1.643 CCc1cccc(n1)SCC(=O)N 62a_100000747473_100009856026 [0,0,2,0,0,0|2,0,0]=4 932 B13R1.643 CCc1cccc(n1)SCC(=O)N 62a_100009856026_100000747473 [0,0,2,0,0,0|2,0,0]=4 933 B13R1.643 CCc1ccnc(c1)SCC(=O)N 62a_100000747473_100009817561 [0,0,2,0,0,0|2,0,0]=4 934 B13R1.643 CCc1ccnc(c1)SCC(=O)N 62a_100009817561_100000747473 [0,0,2,0,0,0|2,0,0]=4 935 B13R1.643 CCc1cncc(c1)OCC(=O)N 34a_200009861530_100000187820 [0,0,2,0,0,0|2,0,0]=4 936 B13R1.643 CCc1cncc(c1)OCC(=O)N 7a_200009861530_100000187820 [0,0,2,0,0,0|2,0,0]=4 937 B13R1.643 CCc1cncc(c1)SCC(=O)N 62a_100000747473_200009819073 [0,0,2,0,0,0|2,0,0]=4 938 B13R1.643 CCc1cncc(c1)SCC(=O)N 62a_200009819073_100000747473 [0,0,2,0,0,0|2,0,0]=4 939 B13R1.643 CNc1cccc(c1)OCC(=O)N 34a_100000756613_100000187820 [0,0,2,0,0,0|2,0,0]=4 940 B13R1.643 CNc1cccc(c1)OCC(=O)N 7a_100000756613_100000187820 [0,0,2,0,0,0|2,0,0]=4 941 B13R1.643 CNc1cccc(c1)SCC(=O)N 62a_100000219648_100000747473 [0,0,2,0,0,0|2,0,0]=4 942 B13R1.643 CNc1cccc(c1)SCC(=O)N 62a_100000747473_100000219648 [0,0,2,0,0,0|2,0,0]=4 943 B13R1.643 COc1cccc(c1)CCC(=O)C 1458a_100000070787_100011713679 [0,0,2,0,0,0|2,0,0]=4 944 B13R1.643 COc1cccc(c1)CCC(=O)C 1458a_100000234931_200000210301 [0,0,2,0,0,0|2,0,0]=4 945 B13R1.643 COc1cccc(c1)CCC(=O)[13CH3] 1458a_100000234931_200025704644 [0,0,2,0,0,0|2,0,0]=4 946 B13R1.643 COc1cccc(c1)NCC(=O)N 34a_100000210024_100000187820 [0,0,2,0,0,0|2,0,0]=4 947 B13R1.643 COc1cccc(c1)OCC(=O)N 34a_100000211255_100000187820 [0,0,2,0,0,0|2,0,0]=4 948 B13R1.643 COc1cccc(c1)OCC(=O)N 7a_100000211255_100000187820 [0,0,2,0,0,0|2,0,0]=4 949 B13R1.643 COc1cccc(c1)SCC(=O)N 62a_100000747473_100000170001 [0,0,2,0,0,0|2,0,0]=4 950 B13R1.643 CSc1cccc(c1)CCC(=O)C 62a_100011279149_200000210301 [0,0,2,0,0,0|2,0,0]=4 951 B13R1.643 CSc1cccc(c1)CCC(=O)C 62a_200000210301_100011279149 [0,0,2,0,0,0|2,0,0]=4 952 B13R1.643 CSc1cccc(c1)CCC(=O)N 62a_100000162029_200000210301 [0,0,2,0,0,0|1,0,0]=3 953 B13R1.643 CSc1cccc(c1)CCC(=O)N 62a_200000210301_100000162029 [0,0,2,0,0,0|1,0,0]=3 954 B13R1.643 CSc1cccc(c1)NCC(=O)N 2230a_100000210049_100000747473 [0,0,2,0,0,0|2,0,0]=4 955 B13R1.643 CSc1cccc(c1)NCC(=O)N 34a_100000210049_100000187820 [0,0,2,0,0,0|2,0,0]=4 956 B13R1.643 CSc1cccc(c1)OCC(=O)N 34a_100011265683_100000187820 [0,0,2,0,0,0|2,0,0]=4 957 B13R1.643 CSc1cccc(c1)OCC(=O)N 62a_200000150604_200000210301 [0,0,2,0,0,0|2,0,0]=4 958 B13R1.643 CSc1cccc(c1)OCC(=O)N 62a_200000210301_200000150604 [0,0,2,0,0,0|2,0,0]=4 959 B13R1.643 CSc1cccc(c1)OCC(=O)N 7a_100011265683_100000187820 [0,0,2,0,0,0|2,0,0]=4 960 B13R1.643 CSc1cccc(c1)SCC(=O)N 62a_100000747473_100011215954 [0,0,2,0,0,0|2,0,0]=4 961 B13R1.643 CSc1cccc(c1)SCC(=O)N 62a_100011215954_100000747473 [0,0,2,0,0,0|2,0,0]=4 962 B13R1.643 NC(=O)CNc1cccc(c1)CF 2230a_100000126320_100000747473 [0,0,2,0,0,0|2,0,0]=4 963 B13R1.643 NC(=O)CNc1cccc(c1)CF 34a_100000126320_100000187820 [0,0,2,0,0,0|2,0,0]=4 964 B13R1.643 NC(=O)CNc1cccc(c1)CF 7a_100000126320_100000187820 [0,0,2,0,0,0|2,0,0]=4 965 B13R1.643 NC(=O)CNc1cccc(c1)CO 2230a_100000211919_100000747473 [0,0,2,0,0,0|2,0,0]=4 966 B13R1.643 NC(=O)CNc1cccc(c1)CO 34a_100000211919_100000187820 [0,0,2,0,0,0|2,0,0]=4 967 B13R1.643 NC(=O)COc1cccc(c1)CBr 34a_100011660834_100000187820 [0,0,2,0,0,0|2,0,0]=4 968 B13R1.643 NC(=O)COc1cccc(c1)CBr 7a_100011660834_100000187820 [0,0,2,0,0,0|2,0,0]=4 969 B13R1.643 NC(=O)COc1cccc(c1)CCl 34a_100000084143_100000187820 [0,0,2,0,0,0|2,0,0]=4 970 B13R1.643 NC(=O)COc1cccc(c1)CCl 7a_100000084143_100000187820 [0,0,2,0,0,0|2,0,0]=4 971 B13R1.643 NC(=O)COc1cccc(c1)CO 34a_100011214949_100000187820 [0,0,2,0,0,0|2,0,0]=4 972 B13R1.643 NC(=O)COc1cccc(c1)CO 7a_100011214949_100000187820 [0,0,2,0,0,0|2,0,0]=4 973 B13R1.643 NC(=O)CSc1cccc(c1)CF 62a_100000747473_100010878472 [0,0,2,0,0,0|2,0,0]=4 974 B13R1.643 NC(=O)CSc1cccc(c1)CF 62a_100010878472_100000747473 [0,0,2,0,0,0|2,0,0]=4 975 B13R1.643 NC(=O)CSc1cccc(c1)CO 62a_100000687537_100000747473 [0,0,2,0,0,0|2,0,0]=4 976 B13R1.643 NC(=O)CSc1cccc(c1)CO 62a_100000747473_100000687537 [0,0,2,0,0,0|2,0,0]=4 977 B13R1.643 NCc1cccc(c1)OCC(=O)N 34a_100000743036_100000187820 [0,0,2,0,0,0|2,0,0]=4 978 B13R1.643 NCc1cccc(c1)SCC(=O)N 62a_100000106179_100000747473 [0,0,2,0,0,0|2,0,0]=4 979 B13R1.643 NCc1cccc(c1)SCC(=O)N 62a_100000747473_100000106179 [0,0,2,0,0,0|2,0,0]=4 980 B13R1.643 [13CH3]Sc1cccc(c1)CCC(=O)N 62a_100000162029_200025704644 [0,0,2,0,0,0|1,0,0]=3 981 B13R1.643 [13CH3]Sc1cccc(c1)CCC(=O)N 62a_200025704644_100000162029 [0,0,2,0,0,0|1,0,0]=3 982 B13R1.643 [13CH3]Sc1cccc(c1)OCC(=O)N 62a_200000150604_200025704644 [0,0,2,0,0,0|2,0,0]=4 983 B13R1.643 [13CH3]Sc1cccc(c1)OCC(=O)N 62a_200025704644_200000150604 [0,0,2,0,0,0|2,0,0]=4 984 B13R1.569 CCc1cccc(c1O)SCC=O 62a_200010001580_200015260668 [0,0,2,0,0,0|2,0,0]=4 985 B13R1.569 CCc1cccc(c1O)SCC=O 62a_200015260668_200010001580 [0,0,2,0,0,0|2,0,0]=4 986 B13R1.569 CNc1cccc(c1N)SCC=O 62a_100000695761_200015260668 [0,0,2,0,0,0|2,0,0]=4 987 B13R1.569 COc1cccc(c1N)OCC=O 34a_100012022766_200009817547 [0,0,2,0,0,0|2,0,0]=4 988 B13R1.569 COc1cccc(c1N)OCC=O 7a_100012022766_200015260668 [0,0,2,0,0,0|2,0,0]=4 989 B13R1.569 COc1cccc(c1N)SCC=O 62a_100000708083_200015260668 [0,0,2,0,0,0|2,0,0]=4 990 B13R1.569 Nc1c(cccc1SCC=O)CO 62a_100012349457_200015260668 [0,0,2,0,0,0|2,0,0]=4 991 B13R1.569 Nc1c(cccc1SCC=O)CO 62a_200015260668_100012349457 [0,0,2,0,0,0|2,0,0]=4 992 B13R1.2135 CC(=O)Nc1c(cccc1C#N)C 11a_100011826843_100015343762 [0,0,2,0,0,0|1,0,1]=4 993 B13R1.2135 CC(=O)Nc1c(cccc1C#N)C 1626a_100011826843_100015343762 [0,0,2,0,0,0|1,0,1]=4 994 B13R1.2135 CC(=O)Nc1c(cccc1CO)C 22a_100011215590_100000070787 [0,0,2,0,0,0|1,0,0]=3 995 B13R1.2135 CC(=O)Nc1c(cccc1O[13CH3])C 34a_100000103797_200025704644 [0,0,2,0,0,0|1,0,0]=3 996 B13R1.2135 CC(=O)Nc1c(cccc1O[13CH3])C 7a_100000103797_200025704644 [0,0,2,0,0,0|1,0,0]=3 997 B13R1.2135 CCc1cccc(c1C=C(C)C)C 271570a_100102525489_100000036235 [0,0,2,0,0,0|2,0,0]=4 998 B13R1.2135 CCc1cccc(c1NC(=O)C)C 11a_100000210048_100015343762 [0,0,2,0,0,0|0,0,0]=2 999 B13R1.2135 CCc1cccc(c1NC(=O)C)C 1626a_100000210048_100015343762 [0,0,2,0,0,0|0,0,0]=2 1000 B13R1.2135 CCc1cccc(c1NC(=O)C)C 22a_100000210048_100000070787 [0,0,2,0,0,0|0,0,0]=2 1001 B13R1.2135 CCc1cccc(c1NC(C)C)C 2230a_100000210048_100000210206 [0,0,2,0,0,0|1,0,1]=4 1002 B13R1.2135 CCc1cccc(c1NC(C)C)C 34a_100000210048_100000210206 [0,0,2,0,0,0|1,0,1]=4 1003 B13R1.2135 CCc1cccc(c1NC(C)C)C 7a_100000210048_100000210206 [0,0,2,0,0,0|1,0,1]=4 1004 B13R1.2135 COc1cccc(c1NC(=O)C)Br 11a_100000708083_100015343762 [0,0,2,0,0,0|2,0,0]=4 1005 B13R1.2135 COc1cccc(c1NC(=O)C)Br 1626a_100000708083_100015343762 [0,0,2,0,0,0|2,0,0]=4 1006 B13R1.2135 COc1cccc(c1NC(=O)C)Br 22a_100000708083_100000070787 [0,0,2,0,0,0|2,0,0]=4 1007 B13R1.2135 COc1cccc(c1NC(=O)C)C 11a_100000758225_100015343762 [0,0,2,0,0,0|1,0,0]=3 1008 B13R1.2135 COc1cccc(c1NC(=O)C)C 1626a_100000758225_100015343762 [0,0,2,0,0,0|1,0,0]=3 1009 B13R1.2135 COc1cccc(c1NC(=O)C)C 22a_100000758225_100000070787 [0,0,2,0,0,0|1,0,0]=3 1010 B13R1.2135 COc1cccc(c1NC(=O)C)C 34a_100000103797_200000210301 [0,0,2,0,0,0|1,0,0]=3 1011 B13R1.2135 COc1cccc(c1NC(=O)C)C 7a_100000103797_200000210301 [0,0,2,0,0,0|1,0,0]=3 1012 B13R1.2135 COc1cccc(c1NC(=O)C)Cl 11a_100011309317_100015343762 [0,0,2,0,0,0|2,0,0]=4 1013 B13R1.2135 COc1cccc(c1NC(=O)C)Cl 1626a_100011309317_100015343762 [0,0,2,0,0,0|2,0,0]=4 1014 B13R1.2135 COc1cccc(c1NC(=O)C)Cl 22a_100011309317_100000070787 [0,0,2,0,0,0|2,0,0]=4 1015 B13R1.2135 COc1cccc(c1NC(=O)C)F 11a_100000686744_100015343762 [0,0,2,0,0,0|2,0,0]=4 1016 B13R1.2135 COc1cccc(c1NC(=O)C)F 1626a_100000686744_100015343762 [0,0,2,0,0,0|2,0,0]=4 1017 B13R1.2135 COc1cccc(c1NC(=O)C)F 22a_100000686744_100000070787 [0,0,2,0,0,0|2,0,0]=4 1018 B13R1.2135 COc1cccc(c1NC(=O)C)I 11a_100010253897_100015343762 [0,0,2,0,0,0|2,0,0]=4 1019 B13R1.2135 COc1cccc(c1NC(=O)C)I 1626a_100010253897_100015343762 [0,0,2,0,0,0|2,0,0]=4 1020 B13R1.2135 COc1cccc(c1NC(=O)C)O 22a_100012022766_100000070787 [0,0,2,0,0,0|2,0,0]=4 1021 B13R1.2135 COc1cccc(c1NC(=O)C)O 527a_100012022766_100103153847 [0,0,2,0,0,0|2,0,0]=4 1022 B13R1.3789 CC(=C(C)c1c(cccc1C)C)C 271570a_200000049429_100000033847 [0,0,2,0,0,0|2,0,0]=4 1023 B13R1.3789 CC(=O)N(C)c1c(cccc1C)C 11a_100011645471_100015343762 [0,0,2,0,0,0|0,0,0]=2 1024 B13R1.3789 CC(=O)N(C)c1c(cccc1C)C 1626a_100011645471_100015343762 [0,0,2,0,0,0|0,0,0]=2 1025 B13R1.3789 CC(=O)N(C)c1c(cccc1Cl)Cl 11a_100000691019_100015343762 [0,0,2,0,0,0|2,0,0]=4 1026 B13R1.3789 CC(=O)N(C)c1c(cccc1Cl)Cl 1626a_100000691019_100015343762 [0,0,2,0,0,0|2,0,0]=4 1027 B13R1.3789 CC(=O)N(C)c1c(cccc1F)F 11a_100000743377_100015343762 [0,0,2,0,0,0|2,0,0]=4 1028 B13R1.3789 CC(=O)N(C)c1c(cccc1F)F 1626a_100000743377_100015343762 [0,0,2,0,0,0|2,0,0]=4 1029 B13R1.3789 Cc1cccc(c1N(C)C(C)C)C 2230a_100011645471_100000210206 [0,0,2,0,0,0|1,0,1]=4 1030 B13R1.3789 Cc1cccc(c1N(C)C(C)C)C 269982a_100011645471_100000210206 [0,0,2,0,0,0|1,0,1]=4 1031 B13R1.3789 Cc1cccc(c1N(C)C(C)C)C 34a_100011645471_100000210206 [0,0,2,0,0,0|1,0,1]=4 1032 B13R1.3904 CC=Cc1c(cccc1CC)CC 271570a_100016259895_100010212195 [0,0,2,0,0,0|2,0,0]=4 1033 B13R1.3904 CCNc1c(cccc1CC)CC 2230a_100000211307_100000210202 [0,0,2,0,0,0|1,0,1]=4 1034 B13R1.3904 CCNc1c(cccc1CC)CC 34a_100000211307_100000210202 [0,0,2,0,0,0|1,0,1]=4 1035 B13R1.3904 CCNc1c(cccc1CC)CC 7a_100000211307_100000210202 [0,0,2,0,0,0|1,0,1]=4 1036 B13R1.3904 CCc1cccc(c1NCF)CC 34a_100000211307_100015361967 [0,0,2,0,0,0|1,0,1]=4 1037 B13R1.3904 CCc1cccc(c1NCF)CC 7a_100000211307_100015361967 [0,0,2,0,0,0|1,0,1]=4 1038 B13R2.15272 CCC(=O)C1Cc2c1cccc2 1458a_200000238571_100000210202 [0,0,1,0,1,0|1,0,0]=3 1039 B13R2.15272 CNC(=O)C1Cc2c1cccc2 11a_106832991635_200000238571 [0,0,1,0,1,0|2,0,0]=4 1040 B13R2.15272 CNC(=O)C1Cc2c1cccc2 1626a_100102657272_200000238571 [0,0,1,0,1,0|2,0,0]=4 1041 B13R2.15272 CNC(=O)C1Cc2c1cccc2 240690a_100102657272_200000238571 [0,0,1,0,1,0|2,0,0]=4 1042 B13R2.15272 CNC(=O)C1Cc2c1cccc2 527a_100102657272_200000238571 [0,0,1,0,1,0|2,0,0]=4 1043 B13R2.15272 O=C(CF)C1Cc2c1cccc2 1458a_200000238571_100015361967 [0,0,1,0,1,0|2,0,0]=4 1044 B13R2.581 C=Cc1cccc2c1NC(=O)C2 271570a_100011290941_100000767046 [0,0,1,0,1,0|0,0,2]=4 1045 B13R2.581 CSc1cccc2c1CC(=O)C2 62a_100010205903_200000210301 [0,0,1,0,1,0|2,0,0]=4 1046 B13R2.581 CSc1cccc2c1NC(=O)C2 62a_200000210301_100000767046 [0,0,1,0,1,0|1,0,0]=3 1047 B13R2.581 [13CH3]Sc1cccc2c1CC(=O)C2 62a_100010205903_200025704644 [0,0,1,0,1,0|2,0,0]=4 1048 B13R2.581 [13CH3]Sc1cccc2c1NC(=O)C2 62a_200025704644_100000767046 [0,0,1,0,1,0|1,0,0]=3 1049 B13R2.4856 CN1C(=O)Cc2c1c(ccc2)O 271570a_203496583355_100010870571 [0,0,1,0,1,0|1,0,0]=3 1050 B13R2.4856 Cn1c(=O)[nH]c2c1c(ccc2)O 271570a_203496583355_100010994120 [0,0,1,0,1,0|2,0,0]=4 1051 B15R2.4 CCC(=O)CC1CCc2c1cccc2 1458a_100000756587_100000210202 [0,0,1,0,0,1|1,0,0]=3 1052 B15R2.4 CCC(=O)CN1CCc2c1cccc2 1458a_100000742689_100000210202 [0,0,1,0,0,1|0,0,0]=2 1053 B15R2.4 CCC(=O)Cn1ccc2c1cccc2 1458a_100000743657_100000210202 [0,0,1,0,0,1|0,0,2]=4 1054 B15R2.4 CCC(=O)Cn1cnc2c1cccc2 1458a_100025771165_100000210202 [0,0,1,0,0,1|1,0,1]=4 1055 B15R2.4 CCC(=O)Cn1ncc2c1cccc2 1458a_100011614043_100000210202 [0,0,1,0,0,1|1,0,1]=4 1056 B15R2.4 CCC(=O)Cn1nnc2c1cccc2 1458a_100000210414_100000033166 [0,0,1,0,0,1|2,0,0]=4 1057 B15R2.4 CCC(=O)Cn1nnc2c1cccc2 1458a_100025796206_100000210202 [0,0,1,0,0,1|2,0,0]=4 1058 B15R2.4 CCC(=O)NC1COc2c1cccc2 11a_100000747519_100000210414 [0,0,1,0,0,1|2,0,0]=4 1059 B15R2.4 CCC(=O)NC1COc2c1cccc2 1626a_100000747519_100000210414 [0,0,1,0,0,1|2,0,0]=4 1060 B15R2.4 CCC(=O)NC1COc2c1cccc2 240690a_100000747519_100000210414 [0,0,1,0,0,1|2,0,0]=4 1061 B15R2.4 CCC(=O)NC1COc2c1cccc2 527a_100000747519_100000210414 [0,0,1,0,0,1|2,0,0]=4 1062 B15R2.4 CCC(=O)N[C@H]1CCc2c1cccc2 11a_100016989578_100000210414 [0,0,1,0,0,1|1,0,0]=3 1063 B15R2.4 CCC(=O)N[C@H]1CCc2c1cccc2 1626a_100016989578_100000210414 [0,0,1,0,0,1|1,0,0]=3 1064 B15R2.4 CCC(=O)N[C@H]1CCc2c1cccc2 240690a_100016989578_100000210414 [0,0,1,0,0,1|1,0,0]=3 1065 B15R2.4 CCC(=O)N[C@H]1CCc2c1cccc2 527a_100016989578_100000210414 [0,0,1,0,0,1|1,0,0]=3 1066 B15R2.4 CNC(=O)CC1CCc2c1cccc2 11a_106832991635_100000756587 [0,0,1,0,0,1|2,0,0]=4 1067 B15R2.4 CNC(=O)CC1CCc2c1cccc2 1626a_100102657272_100000756587 [0,0,1,0,0,1|2,0,0]=4 1068 B15R2.4 CNC(=O)CC1CCc2c1cccc2 240690a_100102657272_100000756587 [0,0,1,0,0,1|2,0,0]=4 1069 B15R2.4 CNC(=O)CC1CCc2c1cccc2 527a_100102657272_100000756587 [0,0,1,0,0,1|2,0,0]=4 1070 B15R2.4 CNC(=O)CN1CCc2c1cccc2 527a_100102657272_100000742689 [0,0,1,0,0,1|1,0,0]=3 1071 B15R2.4 CNC(=O)N[C@H]1CCc2c1cccc2 2708a_100016989578_106832991635 [0,0,1,0,0,1|2,0,0]=4 1072 B15R2.4 CNC(=O)N[C@H]1CCc2c1cccc2 2708a_100102657272_100016989578 [0,0,1,0,0,1|2,0,0]=4 1073 B15R2.4 CNC(=O)N[C@H]1CCc2c1cccc2 273464a_100016989578_100102657272 [0,0,1,0,0,1|2,0,0]=4 1074 B15R2.4 CNC(=O)N[C@H]1CCc2c1cccc2 273464a_100102657272_100016989578 [0,0,1,0,0,1|2,0,0]=4 1075 B15R2.4 CNC(=O)N[C@H]1CCc2c1cccc2 512a_100016989578_100102657272 [0,0,1,0,0,1|2,0,0]=4 1076 B15R2.4 CNC(=O)N[C@H]1CCc2c1cccc2 512a_106832991638_100016989578 [0,0,1,0,0,1|2,0,0]=4 1077 B15R2.4 O=C(CF)CC1CCc2c1cccc2 1458a_100000756587_100015361967 [0,0,1,0,0,1|2,0,0]=4 1078 B15R2.4 O=C(CF)CN1CCc2c1cccc2 1458a_100000742689_100015361967 [0,0,1,0,0,1|1,0,0]=3 1079 B15R2.4 O=C(CO)N[C@H]1CCc2c1cccc2 240690a_100016989578_100000210174 [0,0,1,0,0,1|2,0,0]=4 1080 B15R2.4 O=C(CO)N[C@H]1CCc2c1cccc2 527a_100016989578_100000210174 [0,0,1,0,0,1|2,0,0]=4 1081 B15R2.1601 C=CC(=O)N1CCc2ccccc2C1 1626a_100000188457_100000185746 [0,0,1,0,0,1|0,0,2]=4 1082 B15R2.1601 C=CC(=O)N1CCc2ccccc2C1 240690a_100000188457_200121576911 [0,0,1,0,0,1|0,0,2]=4 1083 B15R2.1601 CCC(=O)C1=Cc2ccccc2OC1 1458a_100000018039_100000210202 [0,0,1,0,0,1|2,0,0]=4 1084 B15R2.1601 CCC(=O)C1CCc2ccccc2C1 1458a_100011217706_100000210202 [0,0,1,0,0,1|1,0,0]=3 1085 B15R2.1601 CCC(=O)C1CCc2ccccc2O1 1458a_100000065239_100000210202 [0,0,1,0,0,1|1,0,0]=3 1086 B15R2.1601 CCC(=O)C1COc2ccccc2C1 1458a_100000203760_100000210202 [0,0,1,0,0,1|2,0,0]=4 1087 B15R2.1601 CCC(=O)C1COc2ccccc2O1 1458a_100000182656_100000210202 [0,0,1,0,0,1|2,0,0]=4 1088 B15R2.1601 CCC(=O)C1Cc2ccccc2CO1 1458a_100009880028_100000210202 [0,0,1,0,0,1|2,0,0]=4 1089 B15R2.1601 CCC(=O)N1CCc2ccccc2C1 11a_100000188457_100000210414 [0,0,1,0,0,1|0,0,0]=2 1090 B15R2.1601 CCC(=O)N1CCc2ccccc2C1 1626a_100000188457_100000210414 [0,0,1,0,0,1|0,0,0]=2 1091 B15R2.1601 CCC(=O)N1CCc2ccccc2C1 240690a_100000188457_100000210414 [0,0,1,0,0,1|0,0,0]=2 1092 B15R2.1601 CCC(=O)N1CCc2ccccc2C1 527a_100000188457_100000210414 [0,0,1,0,0,1|0,0,0]=2 1093 B15R2.1601 CCC(=O)N1CCc2cccnc2C1 11a_100015206102_100000210414 [0,0,1,0,0,1|1,0,0]=3 1094 B15R2.1601 CCC(=O)N1CCc2cccnc2C1 1626a_100015206102_100000210414 [0,0,1,0,0,1|1,0,0]=3 1095 B15R2.1601 CCC(=O)N1CCc2cccnc2C1 240690a_100015206102_100000210414 [0,0,1,0,0,1|1,0,0]=3 1096 B15R2.1601 CCC(=O)N1CCc2cccnc2C1 527a_100015206102_100000210414 [0,0,1,0,0,1|1,0,0]=3 1097 B15R2.1601 CCC(=O)N1CCc2ccncc2C1 11a_100015190008_100000210414 [0,0,1,0,0,1|1,0,0]=3 1098 B15R2.1601 CCC(=O)N1CCc2ccncc2C1 240690a_100015190008_100000210414 [0,0,1,0,0,1|1,0,0]=3 1099 B15R2.1601 CCC(=O)N1CCc2ccncc2C1 527a_100015190008_100000210414 [0,0,1,0,0,1|1,0,0]=3 1100 B15R2.1601 CCC(=O)N1CCc2cnccc2C1 11a_100020645890_100000210414 [0,0,1,0,0,1|1,0,0]=3 1101 B15R2.1601 CCC(=O)N1CCc2cnccc2C1 240690a_100020645890_100000210414 [0,0,1,0,0,1|1,0,0]=3 1102 B15R2.1601 CCC(=O)N1CCc2cnccc2C1 527a_100020645890_100000210414 [0,0,1,0,0,1|1,0,0]=3 1103 B15R2.1601 CCC(=O)N1CCc2ncccc2C1 11a_100000699647_100000210414 [0,0,1,0,0,1|1,0,0]=3 1104 B15R2.1601 CCC(=O)N1CCc2ncccc2C1 240690a_100000699647_100000210414 [0,0,1,0,0,1|1,0,0]=3 1105 B15R2.1601 CCC(=O)N1CCc2ncccc2C1 527a_100000699647_100000210414 [0,0,1,0,0,1|1,0,0]=3 1106 B15R2.1601 CCC(=O)N1CCc2ncncc2C1 11a_100012000121_100000210414 [0,0,1,0,0,1|2,0,0]=4 1107 B15R2.1601 CCC(=O)N1CCc2ncncc2C1 240690a_100012000121_100000210414 [0,0,1,0,0,1|2,0,0]=4 1108 B15R2.1601 CCC(=O)N1CCc2ncncc2C1 527a_100012000121_100000210414 [0,0,1,0,0,1|2,0,0]=4 1109 B15R2.1601 CCC(C)N1CCc2ccccc2C1 2230a_100000188457_100000758301 [0,0,1,0,0,1|1,0,1]=4 1110 B15R2.1601 CCC(C)N1CCc2ccccc2C1 269982a_100000188457_100000758301 [0,0,1,0,0,1|1,0,1]=4 1111 B15R2.1601 CCC(C)N1CCc2ccccc2C1 34a_100000188457_100011215416 [0,0,1,0,0,1|1,0,1]=4 1112 B15R2.1601 CNC(=O)C1CCc2ccccc2C1 11a_106832991635_100011217706 [0,0,1,0,0,1|2,0,0]=4 1113 B15R2.1601 CNC(=O)C1CCc2ccccc2C1 1626a_100102657272_100011217706 [0,0,1,0,0,1|2,0,0]=4 1114 B15R2.1601 CNC(=O)C1CCc2ccccc2C1 240690a_100102657272_100011217706 [0,0,1,0,0,1|2,0,0]=4 1115 B15R2.1601 CNC(=O)C1CCc2ccccc2C1 527a_100102657272_100011217706 [0,0,1,0,0,1|2,0,0]=4 1116 B15R2.1601 CNC(=O)C1CCc2ccccc2O1 11a_106832991635_100000065239 [0,0,1,0,0,1|2,0,0]=4 1117 B15R2.1601 CNC(=O)C1CCc2ccccc2O1 1626a_100102657272_100000065239 [0,0,1,0,0,1|2,0,0]=4 1118 B15R2.1601 CNC(=O)C1CCc2ccccc2O1 240690a_100102657272_100000065239 [0,0,1,0,0,1|2,0,0]=4 1119 B15R2.1601 CNC(=O)C1CCc2ccccc2O1 527a_100102657272_100000065239 [0,0,1,0,0,1|2,0,0]=4 1120 B15R2.1601 CNC(=O)N1CCc2ccccc2C1 2708a_100102657272_100000188457 [0,0,1,0,0,1|1,0,0]=3 1121 B15R2.1601 CNC(=O)N1CCc2ccccc2C1 273464a_100102657272_100000188457 [0,0,1,0,0,1|1,0,0]=3 1122 B15R2.1601 CNC(=O)N1CCc2cccnc2C1 2708a_100102657272_100015206102 [0,0,1,0,0,1|2,0,0]=4 1123 B15R2.1601 CNC(=O)N1CCc2cccnc2C1 273464a_100102657272_100015206102 [0,0,1,0,0,1|2,0,0]=4 1124 B15R2.1601 CNC(=O)N1CCc2ccncc2C1 2708a_100102657272_100015190008 [0,0,1,0,0,1|2,0,0]=4 1125 B15R2.1601 CNC(=O)N1CCc2ccncc2C1 273464a_100102657272_100015190008 [0,0,1,0,0,1|2,0,0]=4 1126 B15R2.1601 CNC(=O)N1CCc2cnccc2C1 2708a_100102657272_100020645890 [0,0,1,0,0,1|2,0,0]=4 1127 B15R2.1601 CNC(=O)N1CCc2cnccc2C1 273464a_100102657272_100020645890 [0,0,1,0,0,1|2,0,0]=4 1128 B15R2.1601 CNC(=O)N1CCc2ncccc2C1 2708a_100102657272_100000699647 [0,0,1,0,0,1|2,0,0]=4 1129 B15R2.1601 CNC(=O)N1CCc2ncccc2C1 273464a_100102657272_100000699647 [0,0,1,0,0,1|2,0,0]=4 1130 B15R2.1601 O=C(CF)C1CCc2ccccc2C1 1458a_100011217706_100015361967 [0,0,1,0,0,1|2,0,0]=4 1131 B15R2.1601 O=C(CF)C1CCc2ccccc2O1 1458a_100000065239_100015361967 [0,0,1,0,0,1|2,0,0]=4 1132 B15R2.1601 O=C(CO)N1CCc2ccccc2C1 240690a_100000188457_100000210174 [0,0,1,0,0,1|1,0,0]=3 1133 B15R2.1601 O=C(CO)N1CCc2ccccc2C1 527a_100000188457_100000210174 [0,0,1,0,0,1|1,0,0]=3 1134 B15R2.1601 O=C(CO)N1CCc2cccnc2C1 240690a_100015206102_100000210174 [0,0,1,0,0,1|2,0,0]=4 1135 B15R2.1601 O=C(CO)N1CCc2cccnc2C1 527a_100015206102_100000210174 [0,0,1,0,0,1|2,0,0]=4 1136 B15R2.1601 O=C(CO)N1CCc2ccncc2C1 240690a_100015190008_100000210174 [0,0,1,0,0,1|2,0,0]=4 1137 B15R2.1601 O=C(CO)N1CCc2ccncc2C1 527a_100015190008_100000210174 [0,0,1,0,0,1|2,0,0]=4 1138 B15R2.1601 O=C(CO)N1CCc2cnccc2C1 240690a_100020645890_100000210174 [0,0,1,0,0,1|2,0,0]=4 1139 B15R2.1601 O=C(CO)N1CCc2cnccc2C1 527a_100020645890_100000210174 [0,0,1,0,0,1|2,0,0]=4 1140 B15R2.1601 O=C(CO)N1CCc2ncccc2C1 240690a_100000699647_100000210174 [0,0,1,0,0,1|2,0,0]=4 1141 B15R2.1601 O=C(CO)N1CCc2ncccc2C1 527a_100000699647_100000210174 [0,0,1,0,0,1|2,0,0]=4 1142 B15R2.79765 CCC(=O)C1CCCc2c1cccc2 1458a_100011198263_100000210202 [0,0,1,0,0,1|1,0,0]=3 1143 B15R2.79765 CCC(=O)C1OCCc2c1cccc2 1458a_100000026751_100000210202 [0,0,1,0,0,1|1,0,0]=3 1144 B15R2.79765 CNC(=O)C1CCCc2c1cccc2 11a_106832991635_100011198263 [0,0,1,0,0,1|2,0,0]=4 1145 B15R2.79765 CNC(=O)C1CCCc2c1cccc2 1626a_100102657272_100011198263 [0,0,1,0,0,1|2,0,0]=4 1146 B15R2.79765 CNC(=O)C1CCCc2c1cccc2 240690a_100102657272_100011198263 [0,0,1,0,0,1|2,0,0]=4 1147 B15R2.79765 CNC(=O)C1CCCc2c1cccc2 527a_100102657272_100011198263 [0,0,1,0,0,1|2,0,0]=4 1148 B15R2.79765 CNC(=O)C1OCCc2c1cccc2 11a_106832991635_100000026751 [0,0,1,0,0,1|2,0,0]=4 1149 B15R2.79765 CNC(=O)C1OCCc2c1cccc2 1626a_100102657272_100000026751 [0,0,1,0,0,1|2,0,0]=4 1150 B15R2.79765 CNC(=O)C1OCCc2c1cccc2 240690a_100102657272_100000026751 [0,0,1,0,0,1|2,0,0]=4 1151 B15R2.79765 CNC(=O)C1OCCc2c1cccc2 527a_100102657272_100000026751 [0,0,1,0,0,1|2,0,0]=4 1152 B15R2.79765 O=C(CF)C1CCCc2c1cccc2 1458a_100011198263_100015361967 [0,0,1,0,0,1|2,0,0]=4 1153 B15R2.79765 O=C(CF)C1OCCc2c1cccc2 1458a_100000026751_100015361967 [0,0,1,0,0,1|2,0,0]=4 1154 B15R2.18471 C=CCOc1cccc2c1CNCC2 34a_100016995156_100015514636 [0,0,1,0,0,1|2,0,0]=4 1155 B15R2.18471 C=CCSc1cccc2c1CNCC2 62a_100000210623_100000687140 [0,0,1,0,0,1|2,0,0]=4 1156 B15R2.18471 C=CCSc1cccc2c1CNCC2 62a_100000687140_100000210623 [0,0,1,0,0,1|2,0,0]=4 1157 B15R2.18471 C=CCSc1cccc2c1NCCO2 62a_100000210623_100015018771 [0,0,1,0,0,1|2,0,0]=4 1158 B15R2.18471 CCCCc1cccc2c1CNCC2 271570a_100020621405_100000687140 [0,0,1,0,0,1|1,0,1]=4 1159 B15R2.18471 CCCCc1cccc2c1NCCO2 271570a_100020621405_100015018771 [0,0,1,0,0,1|1,0,1]=4 1160 B15R2.18471 O=CCNc1cccc2c1CCCC2 2230a_100000212177_200015260668 [0,0,1,0,0,1|2,0,0]=4 1161 B15R2.18471 O=CCNc1cccc2c1CCCC2 34a_100000212177_200009817547 [0,0,1,0,0,1|2,0,0]=4 1162 B15R2.18471 O=CCNc1cccc2c1OCCO2 34a_100000694162_200009817547 [0,0,1,0,0,1|2,0,0]=4 1163 B15R2.18471 O=CCOc1cccc2c1CCCC2 34a_100011202923_200009817547 [0,0,1,0,0,1|2,0,0]=4 1164 B15R2.18471 O=CCOc1cccc2c1CCCC2 7a_100011202923_200015260668 [0,0,1,0,0,1|2,0,0]=4 1165 B15R2.18471 O=CCOc1cccc2c1CCNC2 34a_100020635587_200009817547 [0,0,1,0,0,1|2,0,0]=4 1166 B15R2.18471 O=CCOc1cccc2c1CNCC2 34a_100016995156_200009817547 [0,0,1,0,0,1|1,0,0]=3 1167 B15R2.18471 O=CCOc1cccc2c1OCCO2 34a_100000045995_200009817547 [0,0,1,0,0,1|2,0,0]=4 1168 B15R2.18471 O=CCOc1cccc2c1OCCO2 7a_100000045995_200015260668 [0,0,1,0,0,1|2,0,0]=4 1169 B15R2.18471 O=CCSc1cccc2c1CCCC2 62a_100012354034_200015260668 [0,0,1,0,0,1|2,0,0]=4 1170 B15R2.18471 O=CCSc1cccc2c1CCCC2 62a_200015260668_100012354034 [0,0,1,0,0,1|2,0,0]=4 1171 B15R2.18471 O=CCSc1cccc2c1CCCN2 62a_100010196365_200015260668 [0,0,1,0,0,1|2,0,0]=4 1172 B15R2.18471 O=CCSc1cccc2c1CCCN2 62a_200015260668_100010196365 [0,0,1,0,0,1|2,0,0]=4 1173 B15R2.18471 O=CCSc1cccc2c1CCCO2 62a_100010188023_200015260668 [0,0,1,0,0,1|2,0,0]=4 1174 B15R2.18471 O=CCSc1cccc2c1CCCO2 62a_200015260668_100010188023 [0,0,1,0,0,1|2,0,0]=4 1175 B15R2.18471 O=CCSc1cccc2c1CCNC2 62a_100000756787_200015260668 [0,0,1,0,0,1|2,0,0]=4 1176 B15R2.18471 O=CCSc1cccc2c1CCNC2 62a_200015260668_100000756787 [0,0,1,0,0,1|2,0,0]=4 1177 B15R2.18471 O=CCSc1cccc2c1CNCC2 62a_100000687140_200015260668 [0,0,1,0,0,1|1,0,0]=3 1178 B15R2.18471 O=CCSc1cccc2c1CNCC2 62a_200015260668_100000687140 [0,0,1,0,0,1|1,0,0]=3 1179 B15R2.18471 O=CCSc1cccc2c1NCCO2 62a_200015260668_100015018771 [0,0,1,0,0,1|1,0,0]=3 1180 B15R2.18471 O=CCSc1cccc2c1OCCC2 62a_100010204675_200015260668 [0,0,1,0,0,1|2,0,0]=4 1181 B15R2.18471 O=CCSc1cccc2c1OCCC2 62a_200015260668_100010204675 [0,0,1,0,0,1|2,0,0]=4 1182 B15R2.18471 O=CCSc1cccc2c1OCCN2 62a_100000726803_200015260668 [0,0,1,0,0,1|2,0,0]=4 1183 B15R2.18471 O=CCSc1cccc2c1OCCN2 62a_200015260668_100000726803 [0,0,1,0,0,1|2,0,0]=4 1184 B15R2.18471 O=CCSc1cccc2c1OCCO2 62a_100009815980_200015260668 [0,0,1,0,0,1|2,0,0]=4 1185 B15R2.18471 O=CCSc1cccc2c1OCCO2 62a_200015260668_100009815980 [0,0,1,0,0,1|2,0,0]=4 1186 B15R2.18471 O=CCSc1nccc2c1NCCO2 62a_200015260668_100009829486 [0,0,1,0,0,1|2,0,0]=4 1187 B15R2.13624 CC(=O)NC1CCc2c1c(ccc2)Br 11a_100103168669_100015343762 [0,0,1,0,0,1|2,0,0]=4 1188 B15R2.13624 CC(=O)NC1CCc2c1c(ccc2)Br 1626a_100103168669_100015343762 [0,0,1,0,0,1|2,0,0]=4 1189 B15R2.13624 CC(=O)NC1CCc2c1c(ccc2)Br 240690a_100103168669_100015343762 [0,0,1,0,0,1|2,0,0]=4 1190 B15R2.13624 CC(=O)NC1CCc2c1c(ccc2)Br 527a_100103168669_100103153847 [0,0,1,0,0,1|2,0,0]=4 1191 B15R2.61353 CC(=O)N1CCc2cccc(c2C1)Br 11a_100000687140_100015343762 [0,0,1,0,0,1|1,0,0]=3 1192 B15R2.61353 CC(=O)N1CCc2cccc(c2C1)Br 1626a_100000687140_100015343762 [0,0,1,0,0,1|1,0,0]=3 1193 B15R2.61353 CC(=O)N1CCc2cccc(c2C1)Br 240690a_100000687140_100015343762 [0,0,1,0,0,1|1,0,0]=3 1194 B15R2.61353 CC(=O)N1CCc2cccc(c2C1)Br 527a_100000687140_100103153847 [0,0,1,0,0,1|1,0,0]=3 1195 B15R2.61353 CC(=O)N1CCc2cccc(c2C1)Cl 11a_100011273781_100015343762 [0,0,1,0,0,1|1,0,0]=3 1196 B15R2.61353 CC(=O)N1CCc2cccc(c2C1)Cl 1626a_100011273781_100015343762 [0,0,1,0,0,1|1,0,0]=3 1197 B15R2.61353 CC(=O)N1CCc2cccc(c2C1)Cl 240690a_100011273781_100015343762 [0,0,1,0,0,1|1,0,0]=3 1198 B15R2.61353 CC(=O)N1CCc2cccc(c2C1)Cl 527a_100011273781_100103153847 [0,0,1,0,0,1|1,0,0]=3 1199 B15R2.61353 CC(=O)N1CCc2cccc(c2C1)F 11a_100000695702_100015343762 [0,0,1,0,0,1|1,0,0]=3 1200 B15R2.61353 CC(=O)N1CCc2cccc(c2C1)F 1626a_100000695702_100015343762 [0,0,1,0,0,1|1,0,0]=3 1201 B15R2.61353 CC(=O)N1CCc2cccc(c2C1)F 240690a_100000695702_100015343762 [0,0,1,0,0,1|1,0,0]=3 1202 B15R2.61353 CC(=O)N1CCc2cccc(c2C1)F 527a_100000695702_100103153847 [0,0,1,0,0,1|1,0,0]=3 1203 B15R2.61353 CC(=O)N1CCc2cccc(c2C1)O 240690a_100016995156_100015343762 [0,0,1,0,0,1|1,0,0]=3 1204 B15R2.61353 CC(=O)N1CCc2cccc(c2C1)O 527a_100016995156_100103153847 [0,0,1,0,0,1|1,0,0]=3