0 B9R1.33 C=C=Cc1sccc1C 271570a_100015277604_100000742657 [0,0,0,0,0,0|2,0,2]=4 1 B9R1.33 C=C=Cc1scnc1C 271570a_100015277604_100009817116 [0,0,0,0,0,0|1,0,2]=3 2 B9R1.33 CC=Cc1sccc1C 271570a_100016259895_100000742657 [0,0,0,0,0,0|2,0,2]=4 3 B9R1.33 CC=Cc1scnc1C 271570a_100016259895_100009817116 [0,0,0,0,0,0|1,0,2]=3 4 B9R1.33 CCNc1ncnn1C 27a_100015525214_100000732653 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.33 CCOc1ccnn1C 34a_100020632926_100000210202 [0,0,0,0,0,0|4,0,0]=4 6 B9R1.33 CCSc1[nH]cnc1Cl 62a_100000210202_100010200774 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.33 CCSc1[nH]cnc1Cl 62a_100010200774_100000210202 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.33 CCSc1c[nH]nc1C 62a_100000210202_100000692133 [0,0,0,0,0,0|4,0,0]=4 9 B9R1.33 CCSc1c[nH]nc1C 62a_100000692133_100000210202 [0,0,0,0,0,0|4,0,0]=4 10 B9R1.33 CCSc1ccnn1C 62a_100000210202_100000688441 [0,0,0,0,0,0|4,0,0]=4 11 B9R1.33 CCSc1ccnn1C 62a_100000688441_100000210202 [0,0,0,0,0,0|4,0,0]=4 12 B9R1.33 CCSc1ccsc1C 62a_100000210202_100000684487 [0,0,0,0,0,0|4,0,0]=4 13 B9R1.33 CCSc1ccsc1C 62a_100000684487_100000210202 [0,0,0,0,0,0|4,0,0]=4 14 B9R1.33 CCSc1nc[nH]c1C 62a_100000210202_100010186451 [0,0,0,0,0,0|3,0,1]=4 15 B9R1.33 CCSc1nc[nH]c1C 62a_100010186451_100000210202 [0,0,0,0,0,0|3,0,1]=4 16 B9R1.33 CCSc1ncnn1C 62a_100000210202_100000732653 [0,0,0,0,0,0|4,0,0]=4 17 B9R1.33 CCSc1ncnn1C 62a_100000732653_100000210202 [0,0,0,0,0,0|4,0,0]=4 18 B9R1.33 CCSc1ncsc1C 62a_100000210202_100000732656 [0,0,0,0,0,0|4,0,0]=4 19 B9R1.33 CCSc1ncsc1C 62a_100000732656_100000210202 [0,0,0,0,0,0|4,0,0]=4 20 B9R1.33 CCSc1sccc1Br 62a_100000210202_100012361411 [0,0,0,0,0,0|4,0,0]=4 21 B9R1.33 CCSc1sccc1Br 62a_100012361411_100000210202 [0,0,0,0,0,0|4,0,0]=4 22 B9R1.33 CCSc1sccc1C 62a_100000210202_100010247149 [0,0,0,0,0,0|3,0,0]=3 23 B9R1.33 CCSc1sccc1C 62a_100010247149_100000210202 [0,0,0,0,0,0|3,0,0]=3 24 B9R1.33 CCSc1scnc1C 62a_100000210202_100009817116 [0,0,0,0,0,0|2,0,0]=2 25 B9R1.33 CCSc1scnc1C 62a_100009817116_100000210202 [0,0,0,0,0,0|2,0,0]=2 26 B9R1.33 CNCc1c[nH]nc1C 207a_100102657272_100000737037 [0,0,0,0,0,0|4,0,0]=4 27 B9R1.33 CNCc1ccnn1C 207a_100102657272_100000737161 [0,0,0,0,0,0|4,0,0]=4 28 B9R1.33 CNCc1ccnn1C 2230a_106832991635_100000691648 [0,0,0,0,0,0|4,0,0]=4 29 B9R1.33 CNCc1ccnn1C 270004a_106832991635_100000737161 [0,0,0,0,0,0|4,0,0]=4 30 B9R1.33 CNCc1ccnn1C 34a_100025706696_200000210301 [0,0,0,0,0,0|4,0,0]=4 31 B9R1.33 CNCc1ccnn1C 34a_100102657272_100000691648 [0,0,0,0,0,0|4,0,0]=4 32 B9R1.33 CNCc1ccnn1C 7a_106832991635_100000691648 [0,0,0,0,0,0|4,0,0]=4 33 B9R1.33 CNCc1nc[nH]c1C 207a_100102657272_100000032982 [0,0,0,0,0,0|3,0,1]=4 34 B9R1.33 CNCc1nc[nH]c1C 2230a_106832991635_100000751220 [0,0,0,0,0,0|3,0,1]=4 35 B9R1.33 CNCc1ncoc1C 2230a_106832991635_200000693990 [0,0,0,0,0,0|4,0,0]=4 36 B9R1.33 CNCc1ncoc1C 34a_100102657272_200000693990 [0,0,0,0,0,0|4,0,0]=4 37 B9R1.33 CNCc1ncoc1C 7a_106832991635_200000693990 [0,0,0,0,0,0|4,0,0]=4 38 B9R1.33 CNCc1nonc1C 2230a_106832991635_200000044682 [0,0,0,0,0,0|4,0,0]=4 39 B9R1.33 CNCc1nonc1C 34a_100102657272_200000044682 [0,0,0,0,0,0|4,0,0]=4 40 B9R1.33 CNCc1nonc1C 7a_106832991635_200000044682 [0,0,0,0,0,0|4,0,0]=4 41 B9R1.33 CNCc1occc1C 207a_100102657272_100000763527 [0,0,0,0,0,0|3,1,0]=4 42 B9R1.33 CNCc1occc1C 270004a_106832991635_100000763527 [0,0,0,0,0,0|3,1,0]=4 43 B9R1.33 CNCc1sccc1Br 207a_100102657272_100000766043 [0,0,0,0,0,0|4,0,0]=4 44 B9R1.33 CNCc1sccc1Br 270004a_106832991635_100000766043 [0,0,0,0,0,0|4,0,0]=4 45 B9R1.33 CNCc1sccc1C 207a_100102657272_100000210881 [0,0,0,0,0,0|3,0,0]=3 46 B9R1.33 CNCc1sccc1C 2230a_100000238519_200000210301 [0,0,0,0,0,0|3,0,0]=3 47 B9R1.33 CNCc1sccc1C 270004a_106832991635_100000210881 [0,0,0,0,0,0|3,0,0]=3 48 B9R1.33 CNCc1sccc1C 34a_100000238519_200000210301 [0,0,0,0,0,0|3,0,0]=3 49 B9R1.33 CNCc1sccc1Cl 207a_100102657272_100000722334 [0,0,0,0,0,0|4,0,0]=4 50 B9R1.33 CNCc1sccc1Cl 2230a_100011934584_200000210301 [0,0,0,0,0,0|4,0,0]=4 51 B9R1.33 CNCc1sccc1Cl 270004a_106832991635_100000722334 [0,0,0,0,0,0|4,0,0]=4 52 B9R1.33 CNCc1sccc1Cl 34a_100011934584_200000210301 [0,0,0,0,0,0|4,0,0]=4 53 B9R1.33 CNCc1sccc1O 271570a_203496583355_100000767120 [0,0,0,0,0,0|4,0,0]=4 54 B9R1.33 CNCc1scnc1C 207a_100102657272_100000764165 [0,0,0,0,0,0|2,0,0]=2 55 B9R1.33 CNCc1scnc1C 2230a_100000752186_200000210301 [0,0,0,0,0,0|2,0,0]=2 56 B9R1.33 CNCc1snnc1C 2230a_100000732738_200000210301 [0,0,0,0,0,0|3,0,0]=3 57 B9R1.33 CNCc1snnc1C 2230a_106832991635_100000732739 [0,0,0,0,0,0|3,0,0]=3 58 B9R1.33 CNCc1snnc1C 270004a_106832991635_100000732746 [0,0,0,0,0,0|3,0,0]=3 59 B9R1.33 CNCc1snnc1C 34a_100102657272_100000732739 [0,0,0,0,0,0|3,0,0]=3 60 B9R1.33 CNCc1snnc1C 7a_106832991635_100000732739 [0,0,0,0,0,0|3,0,0]=3 61 B9R1.33 COCc1ccnn1C 34a_100000684702_200000210301 [0,0,0,0,0,0|4,0,0]=4 62 B9R1.33 COCc1ccnn1C 34a_100138415774_100000691648 [0,0,0,0,0,0|4,0,0]=4 63 B9R1.33 COCc1ccoc1C 34a_100011219433_200000210301 [0,0,0,0,0,0|4,0,0]=4 64 B9R1.33 COCc1ccoc1C 7a_100011219433_200000210301 [0,0,0,0,0,0|4,0,0]=4 65 B9R1.33 COCc1ncnn1C 7a_100000688323_200000210301 [0,0,0,0,0,0|4,0,0]=4 66 B9R1.33 COCc1ncoc1C 34a_100012017639_200000210301 [0,0,0,0,0,0|4,0,0]=4 67 B9R1.33 COCc1ncoc1C 34a_100138415774_200000693990 [0,0,0,0,0,0|4,0,0]=4 68 B9R1.33 COCc1nonc1C 34a_100138415774_200000044682 [0,0,0,0,0,0|4,0,0]=4 69 B9R1.33 COCc1occc1C 34a_100011273948_200000210301 [0,0,0,0,0,0|3,1,0]=4 70 B9R1.33 COCc1occc1C 7a_100011273948_200000210301 [0,0,0,0,0,0|3,1,0]=4 71 B9R1.33 COCc1ocnc1C 34a_100000717716_200000210301 [0,0,0,0,0,0|2,1,0]=3 72 B9R1.33 COCc1ocnc1C 7a_100000717716_200000210301 [0,0,0,0,0,0|2,1,0]=3 73 B9R1.33 COCc1sccc1Br 34a_100000702026_200000210301 [0,0,0,0,0,0|4,0,0]=4 74 B9R1.33 COCc1sccc1C 34a_100000238368_200000210301 [0,0,0,0,0,0|3,0,0]=3 75 B9R1.33 COCc1sccc1C 7a_100000238368_200000210301 [0,0,0,0,0,0|3,0,0]=3 76 B9R1.33 COCc1sccc1Cl 34a_100000722387_200000210301 [0,0,0,0,0,0|4,0,0]=4 77 B9R1.33 COCc1sccc1Cl 7a_100000722387_200000210301 [0,0,0,0,0,0|4,0,0]=4 78 B9R1.33 COCc1scnc1Br 7a_100012000948_200000210301 [0,0,0,0,0,0|3,0,0]=3 79 B9R1.33 COCc1scnc1C 34a_100000750112_200000210301 [0,0,0,0,0,0|2,0,0]=2 80 B9R1.33 COCc1scnc1C 7a_100000750112_200000210301 [0,0,0,0,0,0|2,0,0]=2 81 B9R1.33 COCc1snnc1C 34a_100138415774_100000732739 [0,0,0,0,0,0|3,0,0]=3 82 B9R1.33 CSCc1ccnn1C 62a_100000691648_200000210301 [0,0,0,0,0,0|4,0,0]=4 83 B9R1.33 CSCc1ccnn1C 62a_200000210301_100000691648 [0,0,0,0,0,0|4,0,0]=4 84 B9R1.33 CSCc1nc[nH]c1C 62a_100000751220_200000210301 [0,0,0,0,0,0|3,0,1]=4 85 B9R1.33 CSCc1nc[nH]c1C 62a_200000210301_100000751220 [0,0,0,0,0,0|3,0,1]=4 86 B9R1.33 CSCc1ncoc1C 62a_200000210301_200000693990 [0,0,0,0,0,0|4,0,0]=4 87 B9R1.33 CSCc1ncoc1C 62a_200000693990_200000210301 [0,0,0,0,0,0|4,0,0]=4 88 B9R1.33 CSCc1nonc1C 62a_200000044682_200000210301 [0,0,0,0,0,0|4,0,0]=4 89 B9R1.33 CSCc1nonc1C 62a_200000210301_200000044682 [0,0,0,0,0,0|4,0,0]=4 90 B9R1.33 CSCc1snnc1C 62a_100000732739_200000210301 [0,0,0,0,0,0|3,0,0]=3 91 B9R1.33 CSCc1snnc1C 62a_200000210301_100000732739 [0,0,0,0,0,0|3,0,0]=3 92 B9R1.33 Cc1[nH]cnc1CS[13CH3] 62a_100000751220_200025704644 [0,0,0,0,0,0|3,0,1]=4 93 B9R1.33 Cc1[nH]cnc1CS[13CH3] 62a_200025704644_100000751220 [0,0,0,0,0,0|3,0,1]=4 94 B9R1.33 Cc1[nH]cnc1SCF 62a_100010186451_100015361967 [0,0,0,0,0,0|3,0,1]=4 95 B9R1.33 Cc1[nH]cnc1SCF 62a_100015361967_100010186451 [0,0,0,0,0,0|3,0,1]=4 96 B9R1.33 Cc1ccoc1CO[13CH3] 34a_100011273948_200025704644 [0,0,0,0,0,0|3,1,0]=4 97 B9R1.33 Cc1ccoc1CO[13CH3] 7a_100011273948_200025704644 [0,0,0,0,0,0|3,1,0]=4 98 B9R1.33 Cc1ccsc1CN[13CH3] 2230a_100000238519_200025704644 [0,0,0,0,0,0|3,0,0]=3 99 B9R1.33 Cc1ccsc1CN[13CH3] 34a_100000238519_200025704644 [0,0,0,0,0,0|3,0,0]=3 100 B9R1.33 Cc1ccsc1CO[13CH3] 34a_100000238368_200025704644 [0,0,0,0,0,0|3,0,0]=3 101 B9R1.33 Cc1ccsc1CO[13CH3] 7a_100000238368_200025704644 [0,0,0,0,0,0|3,0,0]=3 102 B9R1.33 Cc1ccsc1SCF 62a_100010247149_100015361967 [0,0,0,0,0,0|3,0,0]=3 103 B9R1.33 Cc1ccsc1SCF 62a_100015361967_100010247149 [0,0,0,0,0,0|3,0,0]=3 104 B9R1.33 Cc1n[nH]cc1SCF 62a_100000692133_100015361967 [0,0,0,0,0,0|4,0,0]=4 105 B9R1.33 Cc1n[nH]cc1SCF 62a_100015361967_100000692133 [0,0,0,0,0,0|4,0,0]=4 106 B9R1.33 Cc1ncoc1CO[13CH3] 34a_100000717716_200025704644 [0,0,0,0,0,0|2,1,0]=3 107 B9R1.33 Cc1ncoc1CO[13CH3] 7a_100000717716_200025704644 [0,0,0,0,0,0|2,1,0]=3 108 B9R1.33 Cc1ncsc1CN[13CH3] 2230a_100000752186_200025704644 [0,0,0,0,0,0|2,0,0]=2 109 B9R1.33 Cc1ncsc1CO[13CH3] 34a_100000750112_200025704644 [0,0,0,0,0,0|2,0,0]=2 110 B9R1.33 Cc1ncsc1CO[13CH3] 7a_100000750112_200025704644 [0,0,0,0,0,0|2,0,0]=2 111 B9R1.33 Cc1ncsc1SCF 62a_100009817116_100015361967 [0,0,0,0,0,0|2,0,0]=2 112 B9R1.33 Cc1ncsc1SCF 62a_100015361967_100009817116 [0,0,0,0,0,0|2,0,0]=2 113 B9R1.33 Cc1nnsc1CN[13CH3] 2230a_100000732738_200025704644 [0,0,0,0,0,0|3,0,0]=3 114 B9R1.33 Cc1nnsc1CS[13CH3] 62a_100000732739_200025704644 [0,0,0,0,0,0|3,0,0]=3 115 B9R1.33 Cc1nnsc1CS[13CH3] 62a_200025704644_100000732739 [0,0,0,0,0,0|3,0,0]=3 116 B9R1.33 Cc1nonc1CS[13CH3] 62a_200000044682_200025704644 [0,0,0,0,0,0|4,0,0]=4 117 B9R1.33 Cc1nonc1CS[13CH3] 62a_200025704644_200000044682 [0,0,0,0,0,0|4,0,0]=4 118 B9R1.33 Cc1occc1CO[13CH3] 34a_100011219433_200025704644 [0,0,0,0,0,0|4,0,0]=4 119 B9R1.33 Cc1occc1CO[13CH3] 7a_100011219433_200025704644 [0,0,0,0,0,0|4,0,0]=4 120 B9R1.33 Cc1ocnc1CO[13CH3] 34a_100012017639_200025704644 [0,0,0,0,0,0|4,0,0]=4 121 B9R1.33 Cc1ocnc1CS[13CH3] 62a_200000693990_200025704644 [0,0,0,0,0,0|4,0,0]=4 122 B9R1.33 Cc1ocnc1CS[13CH3] 62a_200025704644_200000693990 [0,0,0,0,0,0|4,0,0]=4 123 B9R1.33 Cc1sccc1SCF 62a_100000684487_100015361967 [0,0,0,0,0,0|4,0,0]=4 124 B9R1.33 Cc1sccc1SCF 62a_100015361967_100000684487 [0,0,0,0,0,0|4,0,0]=4 125 B9R1.33 Cc1scnc1SCF 62a_100000732656_100015361967 [0,0,0,0,0,0|4,0,0]=4 126 B9R1.33 Cc1scnc1SCF 62a_100015361967_100000732656 [0,0,0,0,0,0|4,0,0]=4 127 B9R1.33 Cn1nccc1CN[13CH3] 34a_100025706696_200025704644 [0,0,0,0,0,0|4,0,0]=4 128 B9R1.33 Cn1nccc1CO[13CH3] 34a_100000684702_200025704644 [0,0,0,0,0,0|4,0,0]=4 129 B9R1.33 Cn1nccc1CS[13CH3] 62a_100000691648_200025704644 [0,0,0,0,0,0|4,0,0]=4 130 B9R1.33 Cn1nccc1CS[13CH3] 62a_200025704644_100000691648 [0,0,0,0,0,0|4,0,0]=4 131 B9R1.33 Cn1nccc1OCF 34a_100020632926_100015361967 [0,0,0,0,0,0|4,0,0]=4 132 B9R1.33 Cn1nccc1SCF 62a_100000688441_100015361967 [0,0,0,0,0,0|4,0,0]=4 133 B9R1.33 Cn1nccc1SCF 62a_100015361967_100000688441 [0,0,0,0,0,0|4,0,0]=4 134 B9R1.33 Cn1ncnc1CO[13CH3] 7a_100000688323_200025704644 [0,0,0,0,0,0|4,0,0]=4 135 B9R1.33 Cn1ncnc1SCF 62a_100000732653_100015361967 [0,0,0,0,0,0|4,0,0]=4 136 B9R1.33 Cn1ncnc1SCF 62a_100015361967_100000732653 [0,0,0,0,0,0|4,0,0]=4 137 B9R1.33 FCSc1[nH]cnc1Cl 62a_100010200774_100015361967 [0,0,0,0,0,0|4,0,0]=4 138 B9R1.33 FCSc1[nH]cnc1Cl 62a_100015361967_100010200774 [0,0,0,0,0,0|4,0,0]=4 139 B9R1.33 FCSc1sccc1Br 62a_100012361411_100015361967 [0,0,0,0,0,0|4,0,0]=4 140 B9R1.33 FCSc1sccc1Br 62a_100015361967_100012361411 [0,0,0,0,0,0|4,0,0]=4 141 B9R1.33 [13CH3]NCc1sccc1Cl 2230a_100011934584_200025704644 [0,0,0,0,0,0|4,0,0]=4 142 B9R1.33 [13CH3]NCc1sccc1Cl 34a_100011934584_200025704644 [0,0,0,0,0,0|4,0,0]=4 143 B9R1.33 [13CH3]OCc1sccc1Br 34a_100000702026_200025704644 [0,0,0,0,0,0|4,0,0]=4 144 B9R1.33 [13CH3]OCc1sccc1Cl 34a_100000722387_200025704644 [0,0,0,0,0,0|4,0,0]=4 145 B9R1.33 [13CH3]OCc1sccc1Cl 7a_100000722387_200025704644 [0,0,0,0,0,0|4,0,0]=4 146 B9R1.33 [13CH3]OCc1scnc1Br 7a_100012000948_200025704644 [0,0,0,0,0,0|3,0,0]=3 147 B8R1.8 C=C=Cc1cncs1 271570a_100015277604_100011934649 [1,0,0,0,0,0|1,0,2]=4 148 B8R1.8 CC=Cc1cncs1 271570a_100016259895_100011934649 [1,0,0,0,0,0|1,0,2]=4 149 B8R1.8 CCNc1nncs1 27a_100015525214_100000739804 [1,0,0,0,0,0|3,0,0]=4 150 B8R1.8 CCSc1cccs1 62a_100000210202_100011215356 [1,0,0,0,0,0|3,0,0]=4 151 B8R1.8 CCSc1cccs1 62a_100011215356_100000210202 [1,0,0,0,0,0|3,0,0]=4 152 B8R1.8 CCSc1cnco1 62a_100000210202_100020591547 [1,0,0,0,0,0|2,1,0]=4 153 B8R1.8 CCSc1cnco1 62a_100020591547_100000210202 [1,0,0,0,0,0|2,1,0]=4 154 B8R1.8 CCSc1cncs1 62a_100000210202_100011934649 [1,0,0,0,0,0|2,0,0]=3 155 B8R1.8 CCSc1cncs1 62a_100011934649_100000210202 [1,0,0,0,0,0|2,0,0]=3 156 B8R1.8 CCSc1nncs1 62a_100000210202_100000739804 [1,0,0,0,0,0|3,0,0]=4 157 B8R1.8 CCSc1nncs1 62a_100000739804_100000210202 [1,0,0,0,0,0|3,0,0]=4 158 B8R1.8 CNCc1cccs1 207a_100102657272_100000209959 [1,0,0,0,0,0|3,0,0]=4 159 B8R1.8 CNCc1cccs1 2230a_100000211653_200000210301 [1,0,0,0,0,0|3,0,0]=4 160 B8R1.8 CNCc1cccs1 270004a_106832991635_100000209959 [1,0,0,0,0,0|3,0,0]=4 161 B8R1.8 CNCc1cnc[nH]1 207a_100102657272_100000742939 [1,0,0,0,0,0|3,0,0]=4 162 B8R1.8 CNCc1cnco1 270004a_106832991635_100000064291 [1,0,0,0,0,0|2,1,0]=4 163 B8R1.8 CNCc1cncs1 207a_100102657272_100000749870 [1,0,0,0,0,0|2,0,0]=3 164 B8R1.8 CNCc1cncs1 2230a_100016987365_200000210301 [1,0,0,0,0,0|2,0,0]=3 165 B8R1.8 CNCc1cncs1 2230a_106832991635_100015185245 [1,0,0,0,0,0|2,0,0]=3 166 B8R1.8 CNCc1cncs1 270004a_106832991635_100000749870 [1,0,0,0,0,0|2,0,0]=3 167 B8R1.8 CNCc1cncs1 34a_100102657272_100015185245 [1,0,0,0,0,0|2,0,0]=3 168 B8R1.8 CNCc1cncs1 7a_106832991635_100015185245 [1,0,0,0,0,0|2,0,0]=3 169 B8R1.8 COCc1cccs1 34a_100000211240_200000210301 [1,0,0,0,0,0|3,0,0]=4 170 B8R1.8 COCc1cncs1 34a_100138415774_100015185245 [1,0,0,0,0,0|2,0,0]=3 171 B8R1.8 CSCc1cncs1 62a_100015185245_200000210301 [1,0,0,0,0,0|2,0,0]=3 172 B8R1.8 CSCc1cncs1 62a_200000210301_100015185245 [1,0,0,0,0,0|2,0,0]=3 173 B8R1.8 FCSc1cccs1 62a_100011215356_100015361967 [1,0,0,0,0,0|3,0,0]=4 174 B8R1.8 FCSc1cccs1 62a_100015361967_100011215356 [1,0,0,0,0,0|3,0,0]=4 175 B8R1.8 FCSc1cnco1 62a_100015361967_100020591547 [1,0,0,0,0,0|2,1,0]=4 176 B8R1.8 FCSc1cnco1 62a_100020591547_100015361967 [1,0,0,0,0,0|2,1,0]=4 177 B8R1.8 FCSc1cncs1 62a_100011934649_100015361967 [1,0,0,0,0,0|2,0,0]=3 178 B8R1.8 FCSc1cncs1 62a_100015361967_100011934649 [1,0,0,0,0,0|2,0,0]=3 179 B8R1.8 FCSc1nncs1 62a_100000739804_100015361967 [1,0,0,0,0,0|3,0,0]=4 180 B8R1.8 FCSc1nncs1 62a_100015361967_100000739804 [1,0,0,0,0,0|3,0,0]=4 181 B8R1.8 [13CH3]NCc1cccs1 2230a_100000211653_200025704644 [1,0,0,0,0,0|3,0,0]=4 182 B8R1.8 [13CH3]NCc1cncs1 2230a_100016987365_200025704644 [1,0,0,0,0,0|2,0,0]=3 183 B8R1.8 [13CH3]OCc1cccs1 34a_100000211240_200025704644 [1,0,0,0,0,0|3,0,0]=4 184 B8R1.8 [13CH3]SCc1cncs1 62a_100015185245_200025704644 [1,0,0,0,0,0|2,0,0]=3 185 B8R1.8 [13CH3]SCc1cncs1 62a_200025704644_100015185245 [1,0,0,0,0,0|2,0,0]=3 186 B8R1.11 C=Cc1sccc1C 271570a_100011290941_100000742657 [1,0,0,0,0,0|1,0,2]=4 187 B8R1.11 C=Cc1scnc1C 271570a_100011290941_100009817116 [1,0,0,0,0,0|0,0,2]=3 188 B8R1.11 CCc1ccsc1O 271570a_203496583355_200009875468 [1,0,0,0,0,0|3,0,0]=4 189 B8R1.11 CCn1ccnc1O 271570a_203496583355_100011617267 [1,0,0,0,0,0|3,0,0]=4 190 B8R1.11 CCn1ncnc1O 271570a_203496583355_100009879425 [1,0,0,0,0,0|3,0,0]=4 191 B8R1.11 CNc1ncnn1C 27a_100102657272_100000732653 [1,0,0,0,0,0|3,0,0]=4 192 B8R1.11 COc1ccnn1C 34a_100020632926_200000210301 [1,0,0,0,0,0|3,0,0]=4 193 B8R1.11 CSc1[nH]cnc1Cl 62a_100010200774_200000210301 [1,0,0,0,0,0|3,0,0]=4 194 B8R1.11 CSc1[nH]cnc1Cl 62a_200000210301_100010200774 [1,0,0,0,0,0|3,0,0]=4 195 B8R1.11 CSc1c[nH]nc1C 62a_100000692133_200000210301 [1,0,0,0,0,0|3,0,0]=4 196 B8R1.11 CSc1c[nH]nc1C 62a_200000210301_100000692133 [1,0,0,0,0,0|3,0,0]=4 197 B8R1.11 CSc1ccnn1C 62a_100000688441_200000210301 [1,0,0,0,0,0|3,0,0]=4 198 B8R1.11 CSc1ccnn1C 62a_200000210301_100000688441 [1,0,0,0,0,0|3,0,0]=4 199 B8R1.11 CSc1ccsc1C 62a_100000684487_200000210301 [1,0,0,0,0,0|3,0,0]=4 200 B8R1.11 CSc1ccsc1C 62a_200000210301_100000684487 [1,0,0,0,0,0|3,0,0]=4 201 B8R1.11 CSc1nc[nH]c1C 62a_100010186451_200000210301 [1,0,0,0,0,0|2,0,1]=4 202 B8R1.11 CSc1nc[nH]c1C 62a_200000210301_100010186451 [1,0,0,0,0,0|2,0,1]=4 203 B8R1.11 CSc1ncnn1C 62a_100000732653_200000210301 [1,0,0,0,0,0|3,0,0]=4 204 B8R1.11 CSc1ncnn1C 62a_200000210301_100000732653 [1,0,0,0,0,0|3,0,0]=4 205 B8R1.11 CSc1ncsc1C 62a_100000732656_200000210301 [1,0,0,0,0,0|3,0,0]=4 206 B8R1.11 CSc1ncsc1C 62a_200000210301_100000732656 [1,0,0,0,0,0|3,0,0]=4 207 B8R1.11 CSc1sccc1Br 62a_100012361411_200000210301 [1,0,0,0,0,0|3,0,0]=4 208 B8R1.11 CSc1sccc1Br 62a_200000210301_100012361411 [1,0,0,0,0,0|3,0,0]=4 209 B8R1.11 CSc1sccc1C 62a_100010247149_200000210301 [1,0,0,0,0,0|2,0,0]=3 210 B8R1.11 CSc1sccc1C 62a_200000210301_100010247149 [1,0,0,0,0,0|2,0,0]=3 211 B8R1.11 CSc1sccc1O 271570a_203496583355_200010341309 [1,0,0,0,0,0|3,0,0]=4 212 B8R1.11 CSc1scnc1C 62a_100009817116_200000210301 [1,0,0,0,0,0|1,0,0]=2 213 B8R1.11 CSc1scnc1C 62a_200000210301_100009817116 [1,0,0,0,0,0|1,0,0]=2 214 B8R1.11 Cc1[nH]cnc1S[13CH3] 62a_100010186451_200025704644 [1,0,0,0,0,0|2,0,1]=4 215 B8R1.11 Cc1[nH]cnc1S[13CH3] 62a_200025704644_100010186451 [1,0,0,0,0,0|2,0,1]=4 216 B8R1.11 Cc1ccsc1S[13CH3] 62a_100010247149_200025704644 [1,0,0,0,0,0|2,0,0]=3 217 B8R1.11 Cc1ccsc1S[13CH3] 62a_200025704644_100010247149 [1,0,0,0,0,0|2,0,0]=3 218 B8R1.11 Cc1n[nH]cc1S[13CH3] 62a_100000692133_200025704644 [1,0,0,0,0,0|3,0,0]=4 219 B8R1.11 Cc1n[nH]cc1S[13CH3] 62a_200025704644_100000692133 [1,0,0,0,0,0|3,0,0]=4 220 B8R1.11 Cc1ncsc1S[13CH3] 62a_100009817116_200025704644 [1,0,0,0,0,0|1,0,0]=2 221 B8R1.11 Cc1ncsc1S[13CH3] 62a_200025704644_100009817116 [1,0,0,0,0,0|1,0,0]=2 222 B8R1.11 Cc1sccc1S[13CH3] 62a_100000684487_200025704644 [1,0,0,0,0,0|3,0,0]=4 223 B8R1.11 Cc1sccc1S[13CH3] 62a_200025704644_100000684487 [1,0,0,0,0,0|3,0,0]=4 224 B8R1.11 Cc1scnc1S[13CH3] 62a_100000732656_200025704644 [1,0,0,0,0,0|3,0,0]=4 225 B8R1.11 Cc1scnc1S[13CH3] 62a_200025704644_100000732656 [1,0,0,0,0,0|3,0,0]=4 226 B8R1.11 Cn1nccc1O[13CH3] 34a_100020632926_200025704644 [1,0,0,0,0,0|3,0,0]=4 227 B8R1.11 Cn1nccc1S[13CH3] 62a_100000688441_200025704644 [1,0,0,0,0,0|3,0,0]=4 228 B8R1.11 Cn1nccc1S[13CH3] 62a_200025704644_100000688441 [1,0,0,0,0,0|3,0,0]=4 229 B8R1.11 Cn1ncnc1S[13CH3] 62a_100000732653_200025704644 [1,0,0,0,0,0|3,0,0]=4 230 B8R1.11 Cn1ncnc1S[13CH3] 62a_200025704644_100000732653 [1,0,0,0,0,0|3,0,0]=4 231 B8R1.11 OCc1ccsc1O 271570a_203496583355_100009816922 [1,0,0,0,0,0|3,0,0]=4 232 B8R1.11 OCc1sccc1O 271570a_203496583355_100000702026 [1,0,0,0,0,0|2,0,0]=3 233 B8R1.11 OCc1scnc1O 271570a_203496583355_100012000948 [1,0,0,0,0,0|1,0,0]=2 234 B8R1.11 [13CH3]Sc1[nH]cnc1Cl 62a_100010200774_200025704644 [1,0,0,0,0,0|3,0,0]=4 235 B8R1.11 [13CH3]Sc1[nH]cnc1Cl 62a_200025704644_100010200774 [1,0,0,0,0,0|3,0,0]=4 236 B8R1.11 [13CH3]Sc1sccc1Br 62a_100012361411_200025704644 [1,0,0,0,0,0|3,0,0]=4 237 B8R1.11 [13CH3]Sc1sccc1Br 62a_200025704644_100012361411 [1,0,0,0,0,0|3,0,0]=4 238 B10R1.5 CCSc1sccc1CC 62a_100000210202_200009875468 [0,1,0,0,0,0|3,0,0]=4 239 B10R1.5 CCSc1sccc1CC 62a_200009875468_100000210202 [0,1,0,0,0,0|3,0,0]=4 240 B10R1.5 CCSc1sccc1CN 62a_100000210202_100000727803 [0,1,0,0,0,0|3,0,0]=4 241 B10R1.5 CCSc1sccc1CN 62a_100000727803_100000210202 [0,1,0,0,0,0|3,0,0]=4 242 B10R1.5 CCSc1sccc1CO 62a_100000210202_100009816922 [0,1,0,0,0,0|3,0,0]=4 243 B10R1.5 CCSc1sccc1CO 62a_100009816922_100000210202 [0,1,0,0,0,0|3,0,0]=4 244 B10R1.5 CCc1ccsc1SCF 62a_100015361967_200009875468 [0,1,0,0,0,0|3,0,0]=4 245 B10R1.5 CCc1ccsc1SCF 62a_200009875468_100015361967 [0,1,0,0,0,0|3,0,0]=4 246 B10R1.5 CNCc1sccc1OC 207a_100102657272_100000689126 [0,1,0,0,0,0|3,0,0]=4 247 B10R1.5 CNCc1sccc1OC 270004a_106832991635_100000689126 [0,1,0,0,0,0|3,0,0]=4 248 B10R1.5 CNCc1sccc1SC 62a_100000767120_200000210301 [0,1,0,0,0,0|3,0,0]=4 249 B10R1.5 CNCc1sccc1SC 62a_200000210301_100000767120 [0,1,0,0,0,0|3,0,0]=4 250 B10R1.5 CNCc1sccc1S[13CH3] 62a_100000767120_200025704644 [0,1,0,0,0,0|3,0,0]=4 251 B10R1.5 CNCc1sccc1S[13CH3] 62a_200025704644_100000767120 [0,1,0,0,0,0|3,0,0]=4 252 B10R1.5 NCc1ccsc1SCF 62a_100000727803_100015361967 [0,1,0,0,0,0|3,0,0]=4 253 B10R1.5 NCc1ccsc1SCF 62a_100015361967_100000727803 [0,1,0,0,0,0|3,0,0]=4 254 B10R1.5 OCc1ccsc1SCF 62a_100009816922_100015361967 [0,1,0,0,0,0|3,0,0]=4 255 B10R1.5 OCc1ccsc1SCF 62a_100015361967_100009816922 [0,1,0,0,0,0|3,0,0]=4 256 B10R1.29 C#CCSc1sccc1C 62a_100000038162_100010247149 [0,1,0,0,0,0|2,0,1]=4 257 B10R1.29 C#CCSc1scnc1C 62a_100000038162_100009817116 [0,1,0,0,0,0|1,0,1]=3 258 B10R1.29 C=CCSc1sccc1C 62a_100000210623_100010247149 [0,1,0,0,0,0|2,0,1]=4 259 B10R1.29 C=CCSc1sccc1C 62a_100010247149_100000210623 [0,1,0,0,0,0|2,0,1]=4 260 B10R1.29 C=CCSc1scnc1C 62a_100000210623_100009817116 [0,1,0,0,0,0|1,0,1]=3 261 B10R1.29 C=CCSc1scnc1C 62a_100009817116_100000210623 [0,1,0,0,0,0|1,0,1]=3 262 B10R1.29 CCCCc1[nH]cnc1Cl 271570a_100020621405_100010200774 [0,1,0,0,0,0|3,0,0]=4 263 B10R1.29 CCCCc1c[nH]nc1C 271570a_100020621405_100011912673 [0,1,0,0,0,0|3,0,0]=4 264 B10R1.29 CCCCc1ccnn1C 271570a_100020621405_100000688441 [0,1,0,0,0,0|3,0,0]=4 265 B10R1.29 CCCCc1ccsc1C 271570a_100020621405_100000684487 [0,1,0,0,0,0|3,0,0]=4 266 B10R1.29 CCCCc1nc[nH]c1C 271570a_100020621405_100009816806 [0,1,0,0,0,0|2,0,1]=4 267 B10R1.29 CCCCc1ncnn1C 271570a_100020621405_100000732653 [0,1,0,0,0,0|3,0,0]=4 268 B10R1.29 CCCCc1ncsc1C 271570a_100020621405_100000732656 [0,1,0,0,0,0|3,0,0]=4 269 B10R1.29 CCCCc1sccc1Br 271570a_100020621405_100012361411 [0,1,0,0,0,0|3,0,0]=4 270 B10R1.29 CCCCc1sccc1C 271570a_100020621405_100000742657 [0,1,0,0,0,0|2,0,0]=3 271 B10R1.29 CCCCc1scnc1C 271570a_100020621405_100009817116 [0,1,0,0,0,0|1,0,0]=2 272 B10R1.29 CCCOc1ccnn1C 34a_100020632926_100000210303 [0,1,0,0,0,0|3,0,0]=4 273 B10R1.29 CCCSc1[nH]cnc1Cl 62a_100000210303_100010200774 [0,1,0,0,0,0|3,0,0]=4 274 B10R1.29 CCCSc1[nH]cnc1Cl 62a_100010200774_100000210303 [0,1,0,0,0,0|3,0,0]=4 275 B10R1.29 CCCSc1c[nH]nc1C 62a_100000210303_100000692133 [0,1,0,0,0,0|3,0,0]=4 276 B10R1.29 CCCSc1c[nH]nc1C 62a_100000692133_100000210303 [0,1,0,0,0,0|3,0,0]=4 277 B10R1.29 CCCSc1ccnn1C 62a_100000210303_100000688441 [0,1,0,0,0,0|3,0,0]=4 278 B10R1.29 CCCSc1ccnn1C 62a_100000688441_100000210303 [0,1,0,0,0,0|3,0,0]=4 279 B10R1.29 CCCSc1ccsc1C 62a_100000210303_100000684487 [0,1,0,0,0,0|3,0,0]=4 280 B10R1.29 CCCSc1ccsc1C 62a_100000684487_100000210303 [0,1,0,0,0,0|3,0,0]=4 281 B10R1.29 CCCSc1nc[nH]c1C 62a_100000210303_100010186451 [0,1,0,0,0,0|2,0,1]=4 282 B10R1.29 CCCSc1nc[nH]c1C 62a_100010186451_100000210303 [0,1,0,0,0,0|2,0,1]=4 283 B10R1.29 CCCSc1ncnn1C 62a_100000210303_100000732653 [0,1,0,0,0,0|3,0,0]=4 284 B10R1.29 CCCSc1ncnn1C 62a_100000732653_100000210303 [0,1,0,0,0,0|3,0,0]=4 285 B10R1.29 CCCSc1ncsc1C 62a_100000210303_100000732656 [0,1,0,0,0,0|3,0,0]=4 286 B10R1.29 CCCSc1ncsc1C 62a_100000732656_100000210303 [0,1,0,0,0,0|3,0,0]=4 287 B10R1.29 CCCSc1sccc1Br 62a_100000210303_100012361411 [0,1,0,0,0,0|3,0,0]=4 288 B10R1.29 CCCSc1sccc1Br 62a_100012361411_100000210303 [0,1,0,0,0,0|3,0,0]=4 289 B10R1.29 CCCSc1sccc1C 62a_100000210303_100010247149 [0,1,0,0,0,0|2,0,0]=3 290 B10R1.29 CCCSc1sccc1C 62a_100010247149_100000210303 [0,1,0,0,0,0|2,0,0]=3 291 B10R1.29 CCCSc1scnc1C 62a_100000210303_100009817116 [0,1,0,0,0,0|1,0,0]=2 292 B10R1.29 CCCSc1scnc1C 62a_100009817116_100000210303 [0,1,0,0,0,0|1,0,0]=2 293 B10R1.29 CCNCc1c[nH]nc1C 207a_100015525214_100000737037 [0,1,0,0,0,0|3,0,0]=4 294 B10R1.29 CCNCc1ccnn1C 207a_100015525214_100000737161 [0,1,0,0,0,0|3,0,0]=4 295 B10R1.29 CCNCc1ccnn1C 2230a_100015525214_100000691648 [0,1,0,0,0,0|3,0,0]=4 296 B10R1.29 CCNCc1ccnn1C 270004a_100015525214_100000737161 [0,1,0,0,0,0|3,0,0]=4 297 B10R1.29 CCNCc1ccnn1C 34a_100025706696_100000210202 [0,1,0,0,0,0|3,0,0]=4 298 B10R1.29 CCNCc1nc[nH]c1C 207a_100015525214_100000032982 [0,1,0,0,0,0|2,0,1]=4 299 B10R1.29 CCNCc1nc[nH]c1C 2230a_100015525214_100000751220 [0,1,0,0,0,0|2,0,1]=4 300 B10R1.29 CCNCc1ncoc1C 2230a_100015525214_200000693990 [0,1,0,0,0,0|3,0,0]=4 301 B10R1.29 CCNCc1nonc1C 2230a_100015525214_200000044682 [0,1,0,0,0,0|3,0,0]=4 302 B10R1.29 CCNCc1occc1C 207a_100015525214_100000763527 [0,1,0,0,0,0|2,1,0]=4 303 B10R1.29 CCNCc1occc1C 270004a_100015525214_100000763527 [0,1,0,0,0,0|2,1,0]=4 304 B10R1.29 CCNCc1sccc1Br 207a_100015525214_100000766043 [0,1,0,0,0,0|3,0,0]=4 305 B10R1.29 CCNCc1sccc1Br 270004a_100015525214_100000766043 [0,1,0,0,0,0|3,0,0]=4 306 B10R1.29 CCNCc1sccc1C 207a_100015525214_100000210881 [0,1,0,0,0,0|2,0,0]=3 307 B10R1.29 CCNCc1sccc1C 2230a_100000238519_100000210202 [0,1,0,0,0,0|2,0,0]=3 308 B10R1.29 CCNCc1sccc1C 270004a_100015525214_100000210881 [0,1,0,0,0,0|2,0,0]=3 309 B10R1.29 CCNCc1sccc1C 34a_100000238519_100000210202 [0,1,0,0,0,0|2,0,0]=3 310 B10R1.29 CCNCc1sccc1Cl 207a_100015525214_100000722334 [0,1,0,0,0,0|3,0,0]=4 311 B10R1.29 CCNCc1sccc1Cl 2230a_100011934584_100000210202 [0,1,0,0,0,0|3,0,0]=4 312 B10R1.29 CCNCc1sccc1Cl 270004a_100015525214_100000722334 [0,1,0,0,0,0|3,0,0]=4 313 B10R1.29 CCNCc1sccc1Cl 34a_100011934584_100000210202 [0,1,0,0,0,0|3,0,0]=4 314 B10R1.29 CCNCc1scnc1C 207a_100015525214_100000764165 [0,1,0,0,0,0|1,0,0]=2 315 B10R1.29 CCNCc1scnc1C 2230a_100000752186_100000210202 [0,1,0,0,0,0|1,0,0]=2 316 B10R1.29 CCNCc1snnc1C 2230a_100000732738_100000210202 [0,1,0,0,0,0|2,0,0]=3 317 B10R1.29 CCNCc1snnc1C 2230a_100015525214_100000732739 [0,1,0,0,0,0|2,0,0]=3 318 B10R1.29 CCNCc1snnc1C 270004a_100015525214_100000732746 [0,1,0,0,0,0|2,0,0]=3 319 B10R1.29 CCOCc1ccnn1C 34a_100000684702_100000210202 [0,1,0,0,0,0|3,0,0]=4 320 B10R1.29 CCOCc1ccnn1C 34a_100121572206_100000691648 [0,1,0,0,0,0|3,0,0]=4 321 B10R1.29 CCOCc1ccoc1C 34a_100011219433_100000210202 [0,1,0,0,0,0|3,0,0]=4 322 B10R1.29 CCOCc1ccoc1C 7a_100011219433_100000210202 [0,1,0,0,0,0|3,0,0]=4 323 B10R1.29 CCOCc1ncnn1C 7a_100000688323_100000210202 [0,1,0,0,0,0|3,0,0]=4 324 B10R1.29 CCOCc1ncoc1C 34a_100012017639_100000210202 [0,1,0,0,0,0|3,0,0]=4 325 B10R1.29 CCOCc1ncoc1C 34a_100121572206_200000693990 [0,1,0,0,0,0|3,0,0]=4 326 B10R1.29 CCOCc1nonc1C 34a_100121572206_200000044682 [0,1,0,0,0,0|3,0,0]=4 327 B10R1.29 CCOCc1occc1C 34a_100011273948_100000210202 [0,1,0,0,0,0|2,1,0]=4 328 B10R1.29 CCOCc1occc1C 7a_100011273948_100000210202 [0,1,0,0,0,0|2,1,0]=4 329 B10R1.29 CCOCc1ocnc1C 34a_100000717716_100000210202 [0,1,0,0,0,0|1,1,0]=3 330 B10R1.29 CCOCc1ocnc1C 7a_100000717716_100000210202 [0,1,0,0,0,0|1,1,0]=3 331 B10R1.29 CCOCc1sccc1Br 34a_100000702026_100000210202 [0,1,0,0,0,0|3,0,0]=4 332 B10R1.29 CCOCc1sccc1C 34a_100000238368_100000210202 [0,1,0,0,0,0|2,0,0]=3 333 B10R1.29 CCOCc1sccc1C 7a_100000238368_100000210202 [0,1,0,0,0,0|2,0,0]=3 334 B10R1.29 CCOCc1sccc1Cl 34a_100000722387_100000210202 [0,1,0,0,0,0|3,0,0]=4 335 B10R1.29 CCOCc1sccc1Cl 7a_100000722387_100000210202 [0,1,0,0,0,0|3,0,0]=4 336 B10R1.29 CCOCc1scnc1Br 7a_100012000948_100000210202 [0,1,0,0,0,0|2,0,0]=3 337 B10R1.29 CCOCc1scnc1C 34a_100000750112_100000210202 [0,1,0,0,0,0|1,0,0]=2 338 B10R1.29 CCOCc1scnc1C 7a_100000750112_100000210202 [0,1,0,0,0,0|1,0,0]=2 339 B10R1.29 CCOCc1snnc1C 34a_100121572206_100000732739 [0,1,0,0,0,0|2,0,0]=3 340 B10R1.29 CCSCc1ccnn1C 62a_100000210202_100000691648 [0,1,0,0,0,0|3,0,0]=4 341 B10R1.29 CCSCc1ccnn1C 62a_100000691648_100000210202 [0,1,0,0,0,0|3,0,0]=4 342 B10R1.29 CCSCc1nc[nH]c1C 62a_100000210202_100000751220 [0,1,0,0,0,0|2,0,1]=4 343 B10R1.29 CCSCc1nc[nH]c1C 62a_100000751220_100000210202 [0,1,0,0,0,0|2,0,1]=4 344 B10R1.29 CCSCc1ncoc1C 62a_100000210202_200000693990 [0,1,0,0,0,0|3,0,0]=4 345 B10R1.29 CCSCc1ncoc1C 62a_200000693990_100000210202 [0,1,0,0,0,0|3,0,0]=4 346 B10R1.29 CCSCc1nonc1C 62a_100000210202_200000044682 [0,1,0,0,0,0|3,0,0]=4 347 B10R1.29 CCSCc1nonc1C 62a_200000044682_100000210202 [0,1,0,0,0,0|3,0,0]=4 348 B10R1.29 CCSCc1snnc1C 62a_100000210202_100000732739 [0,1,0,0,0,0|2,0,0]=3 349 B10R1.29 CCSCc1snnc1C 62a_100000732739_100000210202 [0,1,0,0,0,0|2,0,0]=3 350 B10R1.29 CNCCc1scnc1C 2230a_100000238517_200000210301 [0,1,0,0,0,0|1,0,0]=2 351 B10R1.29 CNCCc1scnc1C 2230a_106832991635_100000057103 [0,1,0,0,0,0|1,0,0]=2 352 B10R1.29 CNCCc1scnc1C 34a_100000238517_200000210301 [0,1,0,0,0,0|1,0,0]=2 353 B10R1.29 CNCCc1scnc1C 34a_100102657272_100000057103 [0,1,0,0,0,0|1,0,0]=2 354 B10R1.29 CNCCc1scnc1C 7a_106832991635_100000057103 [0,1,0,0,0,0|1,0,0]=2 355 B10R1.29 CNCCn1ccnc1C 2230a_106832991635_100000742477 [0,1,0,0,0,0|3,0,0]=4 356 B10R1.29 CNCCn1ccnc1C 34a_100015184736_200000210301 [0,1,0,0,0,0|3,0,0]=4 357 B10R1.29 CNCCn1ccnc1C 7a_106832991635_100000742477 [0,1,0,0,0,0|3,0,0]=4 358 B10R1.29 COCCc1scnc1C 34a_100000211055_200000210301 [0,1,0,0,0,0|0,0,0]=1 359 B10R1.29 COCCc1scnc1C 34a_100138415774_100000057103 [0,1,0,0,0,0|0,0,0]=1 360 B10R1.29 COCCc1scnc1C 7a_100000211055_200000210301 [0,1,0,0,0,0|0,0,0]=1 361 B10R1.29 COCCn1ccnc1C 34a_100000702865_200000210301 [0,1,0,0,0,0|2,0,0]=3 362 B10R1.29 COCCn1ccnc1C 7a_100000702865_200000210301 [0,1,0,0,0,0|2,0,0]=3 363 B10R1.29 COCSc1[nH]cnc1Cl 62a_100000766300_100010200774 [0,1,0,0,0,0|3,0,0]=4 364 B10R1.29 COCSc1[nH]cnc1Cl 62a_100010200774_100000766300 [0,1,0,0,0,0|3,0,0]=4 365 B10R1.29 COCSc1c[nH]nc1C 62a_100000692133_100000766300 [0,1,0,0,0,0|3,0,0]=4 366 B10R1.29 COCSc1c[nH]nc1C 62a_100000766300_100000692133 [0,1,0,0,0,0|3,0,0]=4 367 B10R1.29 COCSc1ccnn1C 62a_100000688441_100000766300 [0,1,0,0,0,0|3,0,0]=4 368 B10R1.29 COCSc1ccnn1C 62a_100000766300_100000688441 [0,1,0,0,0,0|3,0,0]=4 369 B10R1.29 COCSc1ccsc1C 62a_100000684487_100000766300 [0,1,0,0,0,0|3,0,0]=4 370 B10R1.29 COCSc1ccsc1C 62a_100000766300_100000684487 [0,1,0,0,0,0|3,0,0]=4 371 B10R1.29 COCSc1nc[nH]c1C 62a_100000766300_100010186451 [0,1,0,0,0,0|2,0,1]=4 372 B10R1.29 COCSc1nc[nH]c1C 62a_100010186451_100000766300 [0,1,0,0,0,0|2,0,1]=4 373 B10R1.29 COCSc1ncnn1C 62a_100000732653_100000766300 [0,1,0,0,0,0|3,0,0]=4 374 B10R1.29 COCSc1ncnn1C 62a_100000766300_100000732653 [0,1,0,0,0,0|3,0,0]=4 375 B10R1.29 COCSc1ncsc1C 62a_100000732656_100000766300 [0,1,0,0,0,0|3,0,0]=4 376 B10R1.29 COCSc1ncsc1C 62a_100000766300_100000732656 [0,1,0,0,0,0|3,0,0]=4 377 B10R1.29 COCSc1sccc1Br 62a_100000766300_100012361411 [0,1,0,0,0,0|3,0,0]=4 378 B10R1.29 COCSc1sccc1Br 62a_100012361411_100000766300 [0,1,0,0,0,0|3,0,0]=4 379 B10R1.29 COCSc1sccc1C 62a_100000766300_100010247149 [0,1,0,0,0,0|2,0,0]=3 380 B10R1.29 COCSc1sccc1C 62a_100010247149_100000766300 [0,1,0,0,0,0|2,0,0]=3 381 B10R1.29 COCSc1scnc1C 62a_100000766300_100009817116 [0,1,0,0,0,0|1,0,0]=2 382 B10R1.29 COCSc1scnc1C 62a_100009817116_100000766300 [0,1,0,0,0,0|1,0,0]=2 383 B10R1.29 CSCCc1scnc1C 62a_100000057103_200000210301 [0,1,0,0,0,0|0,1,0]=2 384 B10R1.29 CSCCc1scnc1C 62a_200000210301_100000057103 [0,1,0,0,0,0|0,1,0]=2 385 B10R1.29 CSCCn1ccnc1C 62a_100000742477_200000210301 [0,1,0,0,0,0|2,1,0]=4 386 B10R1.29 CSCCn1ccnc1C 62a_200000210301_100000742477 [0,1,0,0,0,0|2,1,0]=4 387 B10R1.29 CSCSc1sccc1C 62a_100010247149_100011218213 [0,1,0,0,0,0|2,1,0]=4 388 B10R1.29 CSCSc1sccc1C 62a_100011218213_100010247149 [0,1,0,0,0,0|2,1,0]=4 389 B10R1.29 CSCSc1scnc1C 62a_100009817116_100011218213 [0,1,0,0,0,0|1,1,0]=3 390 B10R1.29 CSCSc1scnc1C 62a_100011218213_100009817116 [0,1,0,0,0,0|1,1,0]=3 391 B10R1.29 Cc1[nH]cnc1CSCF 62a_100000751220_100015361967 [0,1,0,0,0,0|2,0,1]=4 392 B10R1.29 Cc1[nH]cnc1CSCF 62a_100015361967_100000751220 [0,1,0,0,0,0|2,0,1]=4 393 B10R1.29 Cc1[nH]cnc1SCCF 62a_100010186451_100011217306 [0,1,0,0,0,0|2,0,1]=4 394 B10R1.29 Cc1[nH]cnc1SCCF 62a_100011217306_100010186451 [0,1,0,0,0,0|2,0,1]=4 395 B10R1.29 Cc1[nH]cnc1SCCO 62a_100000211926_100010186451 [0,1,0,0,0,0|1,0,1]=3 396 B10R1.29 Cc1[nH]cnc1SCCO 62a_100010186451_100000211926 [0,1,0,0,0,0|1,0,1]=3 397 B10R1.29 Cc1c[nH]nc1SCCO 62a_100000211926_100009871783 [0,1,0,0,0,0|3,0,0]=4 398 B10R1.29 Cc1c[nH]nc1SCCO 62a_100009871783_100000211926 [0,1,0,0,0,0|3,0,0]=4 399 B10R1.29 Cc1ccoc1COCF 34a_100011273948_100015361967 [0,1,0,0,0,0|2,1,0]=4 400 B10R1.29 Cc1ccoc1COCF 7a_100011273948_100015361967 [0,1,0,0,0,0|2,1,0]=4 401 B10R1.29 Cc1ccsc1CNCF 34a_100000238519_100015361967 [0,1,0,0,0,0|2,0,0]=3 402 B10R1.29 Cc1ccsc1COCF 34a_100000238368_100015361967 [0,1,0,0,0,0|2,0,0]=3 403 B10R1.29 Cc1ccsc1COCF 7a_100000238368_100015361967 [0,1,0,0,0,0|2,0,0]=3 404 B10R1.29 Cc1ccsc1SCC#N 62a_100010247149_100011215382 [0,1,0,0,0,0|2,0,1]=4 405 B10R1.29 Cc1ccsc1SCC#N 62a_100011215382_100010247149 [0,1,0,0,0,0|2,0,1]=4 406 B10R1.29 Cc1ccsc1SCC=O 62a_100010247149_200015260668 [0,1,0,0,0,0|1,0,2]=4 407 B10R1.29 Cc1ccsc1SCC=O 62a_200015260668_100010247149 [0,1,0,0,0,0|1,0,2]=4 408 B10R1.29 Cc1ccsc1SCCF 62a_100010247149_100011217306 [0,1,0,0,0,0|2,0,0]=3 409 B10R1.29 Cc1ccsc1SCCF 62a_100011217306_100010247149 [0,1,0,0,0,0|2,0,0]=3 410 B10R1.29 Cc1ccsc1SCCO 62a_100000211926_100010247149 [0,1,0,0,0,0|1,0,0]=2 411 B10R1.29 Cc1ccsc1SCCO 62a_100010247149_100000211926 [0,1,0,0,0,0|1,0,0]=2 412 B10R1.29 Cc1cscc1SCCO 62a_100000211926_100000759966 [0,1,0,0,0,0|3,0,0]=4 413 B10R1.29 Cc1cscc1SCCO 62a_100000759966_100000211926 [0,1,0,0,0,0|3,0,0]=4 414 B10R1.29 Cc1n[nH]cc1SCCF 62a_100000692133_100011217306 [0,1,0,0,0,0|3,0,0]=4 415 B10R1.29 Cc1n[nH]cc1SCCF 62a_100011217306_100000692133 [0,1,0,0,0,0|3,0,0]=4 416 B10R1.29 Cc1n[nH]cc1SCCO 62a_100000211926_100000692133 [0,1,0,0,0,0|2,0,0]=3 417 B10R1.29 Cc1n[nH]cc1SCCO 62a_100000692133_100000211926 [0,1,0,0,0,0|2,0,0]=3 418 B10R1.29 Cc1nccn1CCN[13CH3] 34a_100015184736_200025704644 [0,1,0,0,0,0|3,0,0]=4 419 B10R1.29 Cc1nccn1CCO[13CH3] 34a_100000702865_200025704644 [0,1,0,0,0,0|2,0,0]=3 420 B10R1.29 Cc1nccn1CCO[13CH3] 7a_100000702865_200025704644 [0,1,0,0,0,0|2,0,0]=3 421 B10R1.29 Cc1nccn1CCS[13CH3] 62a_100000742477_200025704644 [0,1,0,0,0,0|2,1,0]=4 422 B10R1.29 Cc1nccn1CCS[13CH3] 62a_200025704644_100000742477 [0,1,0,0,0,0|2,1,0]=4 423 B10R1.29 Cc1ncoc1COCF 34a_100000717716_100015361967 [0,1,0,0,0,0|1,1,0]=3 424 B10R1.29 Cc1ncoc1COCF 7a_100000717716_100015361967 [0,1,0,0,0,0|1,1,0]=3 425 B10R1.29 Cc1ncsc1CCN[13CH3] 2230a_100000238517_200025704644 [0,1,0,0,0,0|1,0,0]=2 426 B10R1.29 Cc1ncsc1CCN[13CH3] 34a_100000238517_200025704644 [0,1,0,0,0,0|1,0,0]=2 427 B10R1.29 Cc1ncsc1CCO[13CH3] 34a_100000211055_200025704644 [0,1,0,0,0,0|0,0,0]=1 428 B10R1.29 Cc1ncsc1CCO[13CH3] 7a_100000211055_200025704644 [0,1,0,0,0,0|0,0,0]=1 429 B10R1.29 Cc1ncsc1CCS[13CH3] 62a_100000057103_200025704644 [0,1,0,0,0,0|0,1,0]=2 430 B10R1.29 Cc1ncsc1CCS[13CH3] 62a_200025704644_100000057103 [0,1,0,0,0,0|0,1,0]=2 431 B10R1.29 Cc1ncsc1COCF 34a_100000750112_100015361967 [0,1,0,0,0,0|1,0,0]=2 432 B10R1.29 Cc1ncsc1COCF 7a_100000750112_100015361967 [0,1,0,0,0,0|1,0,0]=2 433 B10R1.29 Cc1ncsc1SCC#N 62a_100009817116_100011215382 [0,1,0,0,0,0|1,0,1]=3 434 B10R1.29 Cc1ncsc1SCC#N 62a_100011215382_100009817116 [0,1,0,0,0,0|1,0,1]=3 435 B10R1.29 Cc1ncsc1SCC=O 62a_100009817116_200015260668 [0,1,0,0,0,0|0,0,2]=3 436 B10R1.29 Cc1ncsc1SCC=O 62a_200015260668_100009817116 [0,1,0,0,0,0|0,0,2]=3 437 B10R1.29 Cc1ncsc1SCCF 62a_100009817116_100011217306 [0,1,0,0,0,0|1,0,0]=2 438 B10R1.29 Cc1ncsc1SCCF 62a_100011217306_100009817116 [0,1,0,0,0,0|1,0,0]=2 439 B10R1.29 Cc1ncsc1SCCO 62a_100000211926_100009817116 [0,1,0,0,0,0|0,0,0]=1 440 B10R1.29 Cc1ncsc1SCCO 62a_100009817116_100000211926 [0,1,0,0,0,0|0,0,0]=1 441 B10R1.29 Cc1nnsc1CSCF 62a_100000732739_100015361967 [0,1,0,0,0,0|2,0,0]=3 442 B10R1.29 Cc1nnsc1CSCF 62a_100015361967_100000732739 [0,1,0,0,0,0|2,0,0]=3 443 B10R1.29 Cc1nonc1CSCF 62a_100015361967_200000044682 [0,1,0,0,0,0|3,0,0]=4 444 B10R1.29 Cc1nonc1CSCF 62a_200000044682_100015361967 [0,1,0,0,0,0|3,0,0]=4 445 B10R1.29 Cc1occc1COCF 34a_100011219433_100015361967 [0,1,0,0,0,0|3,0,0]=4 446 B10R1.29 Cc1occc1COCF 7a_100011219433_100015361967 [0,1,0,0,0,0|3,0,0]=4 447 B10R1.29 Cc1ocnc1COCF 34a_100012017639_100015361967 [0,1,0,0,0,0|3,0,0]=4 448 B10R1.29 Cc1ocnc1CSCF 62a_100015361967_200000693990 [0,1,0,0,0,0|3,0,0]=4 449 B10R1.29 Cc1ocnc1CSCF 62a_200000693990_100015361967 [0,1,0,0,0,0|3,0,0]=4 450 B10R1.29 Cc1oncc1SCCO 62a_100000211926_100009872056 [0,1,0,0,0,0|3,0,0]=4 451 B10R1.29 Cc1oncc1SCCO 62a_100009872056_100000211926 [0,1,0,0,0,0|3,0,0]=4 452 B10R1.29 Cc1sccc1SCCF 62a_100000684487_100011217306 [0,1,0,0,0,0|3,0,0]=4 453 B10R1.29 Cc1sccc1SCCF 62a_100011217306_100000684487 [0,1,0,0,0,0|3,0,0]=4 454 B10R1.29 Cc1sccc1SCCO 62a_100000211926_100000684487 [0,1,0,0,0,0|2,0,0]=3 455 B10R1.29 Cc1sccc1SCCO 62a_100000684487_100000211926 [0,1,0,0,0,0|2,0,0]=3 456 B10R1.29 Cc1scnc1SCCF 62a_100000732656_100011217306 [0,1,0,0,0,0|3,0,0]=4 457 B10R1.29 Cc1scnc1SCCF 62a_100011217306_100000732656 [0,1,0,0,0,0|3,0,0]=4 458 B10R1.29 Cc1scnc1SCCO 62a_100000211926_100000732656 [0,1,0,0,0,0|2,0,0]=3 459 B10R1.29 Cc1scnc1SCCO 62a_100000732656_100000211926 [0,1,0,0,0,0|2,0,0]=3 460 B10R1.29 Cn1ccnc1SCCO 62a_100000211926_100000707724 [0,1,0,0,0,0|3,0,0]=4 461 B10R1.29 Cn1ccnc1SCCO 62a_100000707724_100000211926 [0,1,0,0,0,0|3,0,0]=4 462 B10R1.29 Cn1nccc1CNCF 34a_100025706696_100015361967 [0,1,0,0,0,0|3,0,0]=4 463 B10R1.29 Cn1nccc1COCF 34a_100000684702_100015361967 [0,1,0,0,0,0|3,0,0]=4 464 B10R1.29 Cn1nccc1CSCF 62a_100000691648_100015361967 [0,1,0,0,0,0|3,0,0]=4 465 B10R1.29 Cn1nccc1CSCF 62a_100015361967_100000691648 [0,1,0,0,0,0|3,0,0]=4 466 B10R1.29 Cn1nccc1OCCF 34a_100020632926_100011217306 [0,1,0,0,0,0|3,0,0]=4 467 B10R1.29 Cn1nccc1OCCO 34a_100020632926_100000211926 [0,1,0,0,0,0|2,0,0]=3 468 B10R1.29 Cn1nccc1SCCF 62a_100000688441_100011217306 [0,1,0,0,0,0|3,0,0]=4 469 B10R1.29 Cn1nccc1SCCF 62a_100011217306_100000688441 [0,1,0,0,0,0|3,0,0]=4 470 B10R1.29 Cn1nccc1SCCO 62a_100000211926_100000688441 [0,1,0,0,0,0|2,0,0]=3 471 B10R1.29 Cn1nccc1SCCO 62a_100000688441_100000211926 [0,1,0,0,0,0|2,0,0]=3 472 B10R1.29 Cn1ncnc1COCF 7a_100000688323_100015361967 [0,1,0,0,0,0|3,0,0]=4 473 B10R1.29 Cn1ncnc1NCCO 27a_100000210304_100000732653 [0,1,0,0,0,0|2,0,0]=3 474 B10R1.29 Cn1ncnc1SCCF 62a_100000732653_100011217306 [0,1,0,0,0,0|3,0,0]=4 475 B10R1.29 Cn1ncnc1SCCF 62a_100011217306_100000732653 [0,1,0,0,0,0|3,0,0]=4 476 B10R1.29 Cn1ncnc1SCCO 62a_100000211926_100000732653 [0,1,0,0,0,0|2,0,0]=3 477 B10R1.29 Cn1ncnc1SCCO 62a_100000732653_100000211926 [0,1,0,0,0,0|2,0,0]=3 478 B10R1.29 FCCSc1[nH]cnc1Cl 62a_100010200774_100011217306 [0,1,0,0,0,0|3,0,0]=4 479 B10R1.29 FCCSc1[nH]cnc1Cl 62a_100011217306_100010200774 [0,1,0,0,0,0|3,0,0]=4 480 B10R1.29 FCCSc1sccc1Br 62a_100011217306_100012361411 [0,1,0,0,0,0|3,0,0]=4 481 B10R1.29 FCCSc1sccc1Br 62a_100012361411_100011217306 [0,1,0,0,0,0|3,0,0]=4 482 B10R1.29 FCNCc1sccc1Cl 34a_100011934584_100015361967 [0,1,0,0,0,0|3,0,0]=4 483 B10R1.29 FCOCc1sccc1Br 34a_100000702026_100015361967 [0,1,0,0,0,0|3,0,0]=4 484 B10R1.29 FCOCc1sccc1Cl 34a_100000722387_100015361967 [0,1,0,0,0,0|3,0,0]=4 485 B10R1.29 FCOCc1sccc1Cl 7a_100000722387_100015361967 [0,1,0,0,0,0|3,0,0]=4 486 B10R1.29 FCOCc1scnc1Br 7a_100012000948_100015361967 [0,1,0,0,0,0|2,0,0]=3 487 B10R1.29 Nc1n[nH]cc1SCCO 62a_100000211926_100000717100 [0,1,0,0,0,0|3,0,0]=4 488 B10R1.29 Nc1n[nH]cc1SCCO 62a_100000717100_100000211926 [0,1,0,0,0,0|3,0,0]=4 489 B10R1.29 Nc1nocc1SCCO 62a_100000211926_100012597345 [0,1,0,0,0,0|3,0,0]=4 490 B10R1.29 Nc1nocc1SCCO 62a_100012597345_100000211926 [0,1,0,0,0,0|3,0,0]=4 491 B10R1.29 OCCSc1[nH]cnc1Cl 62a_100000211926_100010200774 [0,1,0,0,0,0|2,0,0]=3 492 B10R1.29 OCCSc1[nH]cnc1Cl 62a_100010200774_100000211926 [0,1,0,0,0,0|2,0,0]=3 493 B10R1.29 OCCSc1c[nH]nc1Br 62a_100000211926_100011012988 [0,1,0,0,0,0|3,0,0]=4 494 B10R1.29 OCCSc1c[nH]nc1Br 62a_100011012988_100000211926 [0,1,0,0,0,0|3,0,0]=4 495 B10R1.29 OCCSc1c[nH]nc1F 62a_100000211926_100015597042 [0,1,0,0,0,0|3,0,0]=4 496 B10R1.29 OCCSc1c[nH]nc1F 62a_100015597042_100000211926 [0,1,0,0,0,0|3,0,0]=4 497 B10R1.29 OCCSc1sccc1Br 62a_100000211926_100012361411 [0,1,0,0,0,0|2,0,0]=3 498 B10R1.29 OCCSc1sccc1Br 62a_100012361411_100000211926 [0,1,0,0,0,0|2,0,0]=3 499 B10R1.64 CC(=Cc1scnc1C)C 271570a_100102525489_100009817116 [0,1,0,0,0,0|1,0,2]=4 500 B10R1.64 CC(=O)Cc1snnc1C 1458a_100000070787_100000732739 [0,1,0,0,0,0|1,0,2]=4 501 B10R1.64 Cc1ccsc1CN(C)C 2230a_100000695154_200000210301 [0,1,0,0,0,0|3,0,0]=4 502 B10R1.64 Cc1ccsc1CN(C)C 269982a_100000695154_200000210301 [0,1,0,0,0,0|3,0,0]=4 503 B10R1.64 Cc1ccsc1CN(C)C 270004a_100102631434_100000210881 [0,1,0,0,0,0|3,0,0]=4 504 B10R1.64 Cc1ccsc1CN(C)[13CH3] 2230a_100000695154_200025704644 [0,1,0,0,0,0|3,0,0]=4 505 B10R1.64 Cc1ccsc1CN(C)[13CH3] 269982a_100000695154_200025704644 [0,1,0,0,0,0|3,0,0]=4 506 B10R1.64 Cc1ccsc1SC(C)C 62a_100000210206_100010247149 [0,1,0,0,0,0|3,0,0]=4 507 B10R1.64 Cc1ccsc1SC(C)C 62a_100010247149_100000210206 [0,1,0,0,0,0|3,0,0]=4 508 B10R1.64 Cc1ncsc1SC(C)C 62a_100000210206_100009817116 [0,1,0,0,0,0|2,0,0]=3 509 B10R1.64 Cc1ncsc1SC(C)C 62a_100009817116_100000210206 [0,1,0,0,0,0|2,0,0]=3 510 B10R1.64 Cc1nnsc1CN(C)C 2230a_100102631434_100000732739 [0,1,0,0,0,0|3,0,0]=4 511 B10R1.64 Cc1nnsc1CN(C)C 269982a_100102631434_100000732739 [0,1,0,0,0,0|3,0,0]=4 512 B10R1.64 Cc1nnsc1CN(C)C 270004a_100102631434_100000732746 [0,1,0,0,0,0|3,0,0]=4 513 B10R1.130 C=C=Cc1sc(nc1C)C 271570a_100015277604_100009814099 [0,1,0,0,0,0|1,0,2]=4 514 B10R1.130 CC=Cc1sc(nc1C)C 271570a_100016259895_100009814099 [0,1,0,0,0,0|1,0,2]=4 515 B10R1.130 CCSc1sc(cc1C)C 62a_100000210202_100000689295 [0,1,0,0,0,0|3,0,0]=4 516 B10R1.130 CCSc1sc(cc1C)C 62a_100000689295_100000210202 [0,1,0,0,0,0|3,0,0]=4 517 B10R1.130 CCSc1sc(nc1C)C 62a_100000210202_100009814099 [0,1,0,0,0,0|2,0,0]=3 518 B10R1.130 CCSc1sc(nc1C)C 62a_100009814099_100000210202 [0,1,0,0,0,0|2,0,0]=3 519 B10R1.130 CCSc1sc(nc1C)N 62a_100000210202_100159269596 [0,1,0,0,0,0|2,0,0]=3 520 B10R1.130 CCSc1sc(nc1C)N 62a_100159269596_100000210202 [0,1,0,0,0,0|2,0,0]=3 521 B10R1.130 CNCc1oc(nc1C)C 207a_100102657272_100000734261 [0,1,0,0,0,0|2,1,0]=4 522 B10R1.130 CNCc1sc(cc1C)Br 207a_100102657272_100010221198 [0,1,0,0,0,0|3,0,0]=4 523 B10R1.130 CNCc1sc(cc1C)Br 270004a_106832991635_100010221198 [0,1,0,0,0,0|3,0,0]=4 524 B10R1.130 CNCc1sc(nc1Br)C 2230a_106832991635_100015664652 [0,1,0,0,0,0|3,0,0]=4 525 B10R1.130 CNCc1sc(nc1Br)C 34a_100102657272_100015664652 [0,1,0,0,0,0|3,0,0]=4 526 B10R1.130 CNCc1sc(nc1Br)C 7a_106832991635_100015664652 [0,1,0,0,0,0|3,0,0]=4 527 B10R1.130 CNCc1sc(nc1C)C 207a_100102657272_100000757988 [0,1,0,0,0,0|2,0,0]=3 528 B10R1.130 CNCc1sc(nc1C)C 2230a_100000761763_200000210301 [0,1,0,0,0,0|2,0,0]=3 529 B10R1.130 CNCc1sc(nc1C)C 2230a_106832991635_100000760948 [0,1,0,0,0,0|2,0,0]=3 530 B10R1.130 CNCc1sc(nc1C)C 34a_100102657272_100000760948 [0,1,0,0,0,0|2,0,0]=3 531 B10R1.130 CNCc1sc(nc1C)C 7a_106832991635_100000760948 [0,1,0,0,0,0|2,0,0]=3 532 B10R1.130 COCc1sc(nc1Br)Br 7a_100010218989_200000210301 [0,1,0,0,0,0|3,0,0]=4 533 B10R1.130 COCc1sc(nc1Br)C 34a_100138415774_100015664652 [0,1,0,0,0,0|3,0,0]=4 534 B10R1.130 COCc1sc(nc1C)Br 7a_100010264302_200000210301 [0,1,0,0,0,0|2,0,0]=3 535 B10R1.130 COCc1sc(nc1C)C 34a_100000750043_200000210301 [0,1,0,0,0,0|2,0,0]=3 536 B10R1.130 COCc1sc(nc1C)C 34a_100138415774_100000760948 [0,1,0,0,0,0|2,0,0]=3 537 B10R1.130 COCc1sc(nc1C)C 7a_100000750043_200000210301 [0,1,0,0,0,0|2,0,0]=3 538 B10R1.130 COCc1sc(nc1Cl)Cl 7a_100000721200_200000210301 [0,1,0,0,0,0|3,0,0]=4 539 B10R1.130 CSCc1sc(nc1Br)C 62a_100015664652_200000210301 [0,1,0,0,0,0|3,0,0]=4 540 B10R1.130 CSCc1sc(nc1Br)C 62a_200000210301_100015664652 [0,1,0,0,0,0|3,0,0]=4 541 B10R1.130 CSCc1sc(nc1C)C 62a_100000760948_200000210301 [0,1,0,0,0,0|2,0,0]=3 542 B10R1.130 CSCc1sc(nc1C)C 62a_200000210301_100000760948 [0,1,0,0,0,0|2,0,0]=3 543 B10R1.130 Cc1cc(c(s1)SCF)C 62a_100000689295_100015361967 [0,1,0,0,0,0|3,0,0]=4 544 B10R1.130 Cc1cc(c(s1)SCF)C 62a_100015361967_100000689295 [0,1,0,0,0,0|3,0,0]=4 545 B10R1.130 Cc1nc(c(s1)CN[13CH3])C 2230a_100000761763_200025704644 [0,1,0,0,0,0|2,0,0]=3 546 B10R1.130 Cc1nc(c(s1)CO[13CH3])C 34a_100000750043_200025704644 [0,1,0,0,0,0|2,0,0]=3 547 B10R1.130 Cc1nc(c(s1)CO[13CH3])C 7a_100000750043_200025704644 [0,1,0,0,0,0|2,0,0]=3 548 B10R1.130 Cc1nc(c(s1)CS[13CH3])Br 62a_100015664652_200025704644 [0,1,0,0,0,0|3,0,0]=4 549 B10R1.130 Cc1nc(c(s1)CS[13CH3])Br 62a_200025704644_100015664652 [0,1,0,0,0,0|3,0,0]=4 550 B10R1.130 Cc1nc(c(s1)CS[13CH3])C 62a_100000760948_200025704644 [0,1,0,0,0,0|2,0,0]=3 551 B10R1.130 Cc1nc(c(s1)CS[13CH3])C 62a_200025704644_100000760948 [0,1,0,0,0,0|2,0,0]=3 552 B10R1.130 Cc1nc(c(s1)SCF)C 62a_100009814099_100015361967 [0,1,0,0,0,0|2,0,0]=3 553 B10R1.130 Cc1nc(c(s1)SCF)C 62a_100015361967_100009814099 [0,1,0,0,0,0|2,0,0]=3 554 B10R1.130 Cc1nc(sc1CO[13CH3])Br 7a_100010264302_200025704644 [0,1,0,0,0,0|2,0,0]=3 555 B10R1.130 Cc1nc(sc1SCF)N 62a_100015361967_100159269596 [0,1,0,0,0,0|2,0,0]=3 556 B10R1.130 Cc1nc(sc1SCF)N 62a_100159269596_100015361967 [0,1,0,0,0,0|2,0,0]=3 557 B10R1.130 Cc1sc(nc1CCO)O 271570a_203496583355_100010201174 [0,1,0,0,0,0|2,0,0]=3 558 B10R1.130 [13CH3]OCc1sc(nc1Br)Br 7a_100010218989_200025704644 [0,1,0,0,0,0|3,0,0]=4 559 B10R1.130 [13CH3]OCc1sc(nc1Cl)Cl 7a_100000721200_200025704644 [0,1,0,0,0,0|3,0,0]=4 560 B8R0.3 C/C=C(\C)/C(=O)CCO 1458a_100020587367_100000211926 [0,0,1,0,0,0|1,1,1]=4 561 B8R0.3 C=CC(C)C(=O)CCO 1458a_100011216780_100000211926 [0,0,1,0,0,0|1,1,1]=4 562 B8R0.4 C/C=C/CSCCCO 62a_100011215043_100102629194 [0,0,1,0,0,0|1,0,2]=4 563 B8R0.4 C/C=C/CSCCCO 62a_100102629194_100011215043 [0,0,1,0,0,0|1,0,2]=4 564 B8R0.4 CC=CCSCCCO 62a_100000070051_100011215043 [0,0,1,0,0,0|1,0,2]=4 565 B8R0.4 CC=CCSCCCO 62a_100011215043_100000070051 [0,0,1,0,0,0|1,0,2]=4 566 B10R2.21 Brc1ccsc1C2CC2 271570a_100011220607_100012361411 [0,0,0,1,0,0|3,0,0]=4 567 B10R2.21 Cc1[nH]cnc1C2CC2 271570a_100011220607_100009816806 [0,0,0,1,0,0|2,0,1]=4 568 B10R2.21 Cc1ccsc1C2CC2 271570a_100011220607_100000742657 [0,0,0,1,0,0|2,0,0]=3 569 B10R2.21 Cc1n[nH]cc1C2CC2 271570a_100011220607_100011912673 [0,0,0,1,0,0|3,0,0]=4 570 B10R2.21 Cc1ncsc1C2CC2 271570a_100011220607_100009817116 [0,0,0,1,0,0|1,0,0]=2 571 B10R2.21 Cc1sccc1C2CC2 271570a_100011220607_100000684487 [0,0,0,1,0,0|3,0,0]=4 572 B10R2.21 Cc1scnc1C2CC2 271570a_100011220607_100000732656 [0,0,0,1,0,0|3,0,0]=4 573 B10R2.21 Clc1nc[nH]c1C2CC2 271570a_100011220607_100010200774 [0,0,0,1,0,0|3,0,0]=4 574 B10R2.21 Cn1nccc1C2CC2 271570a_100011220607_100000688441 [0,0,0,1,0,0|3,0,0]=4 575 B10R2.21 Cn1ncnc1C2CC2 271570a_100011220607_100000732653 [0,0,0,1,0,0|3,0,0]=4 576 B10R1.4 CCCc1ncncc1O 271570a_203496583355_100009816987 [0,0,0,0,0,1|3,0,0]=4 577 B10R1.4 CCNc1ccncc1C 27a_100015525214_100000765111 [0,0,0,0,0,1|3,0,0]=4 578 B10R1.4 CCNc1nccnc1C 27a_100015525214_100011999405 [0,0,0,0,0,1|3,0,0]=4 579 B10R1.4 CCNc1ncncc1C 27a_100015525214_100011998708 [0,0,0,0,0,1|3,0,0]=4 580 B10R1.4 CCOc1cccnc1C 34a_100000745507_100000210202 [0,0,0,0,0,1|3,0,0]=4 581 B10R1.4 CCOc1cccnc1C 7a_100000745507_100000210202 [0,0,0,0,0,1|3,0,0]=4 582 B10R1.4 CCOc1ccncc1C 34a_100000694293_100000210202 [0,0,0,0,0,1|3,0,0]=4 583 B10R1.4 CCOc1nccnc1C 34a_100000766352_100000210202 [0,0,0,0,0,1|3,0,0]=4 584 B10R1.4 CCSc1cccnc1C 62a_100000210202_100000751574 [0,0,0,0,0,1|3,0,0]=4 585 B10R1.4 CCSc1cccnc1C 62a_100000751574_100000210202 [0,0,0,0,0,1|3,0,0]=4 586 B10R1.4 CCSc1ccncc1C 62a_100000210202_100000765111 [0,0,0,0,0,1|3,0,0]=4 587 B10R1.4 CCSc1ccncc1C 62a_100000765111_100000210202 [0,0,0,0,0,1|3,0,0]=4 588 B10R1.4 CCSc1cncnc1C 62a_100000210202_100009819671 [0,0,0,0,0,1|3,0,0]=4 589 B10R1.4 CCSc1cncnc1C 62a_100009819671_100000210202 [0,0,0,0,0,1|3,0,0]=4 590 B10R1.4 CCSc1nccnc1C 62a_100000210202_100011999405 [0,0,0,0,0,1|3,0,0]=4 591 B10R1.4 CCSc1nccnc1C 62a_100011999405_100000210202 [0,0,0,0,0,1|3,0,0]=4 592 B10R1.4 CCSc1ncncc1C 62a_100000210202_100011998708 [0,0,0,0,0,1|3,0,0]=4 593 B10R1.4 CCSc1ncncc1C 62a_100011998708_100000210202 [0,0,0,0,0,1|3,0,0]=4 594 B10R1.4 CNCc1cccnc1C 207a_100102657272_100000751968 [0,0,0,0,0,1|3,0,0]=4 595 B10R1.4 CNCc1cccnc1C 2230a_106832991635_100000732876 [0,0,0,0,0,1|3,0,0]=4 596 B10R1.4 CNCc1cccnc1C 270004a_106832991635_100000751968 [0,0,0,0,0,1|3,0,0]=4 597 B10R1.4 CNCc1cccnc1C 34a_100102657272_100000732876 [0,0,0,0,0,1|3,0,0]=4 598 B10R1.4 CNCc1cccnc1C 7a_106832991635_100000732876 [0,0,0,0,0,1|3,0,0]=4 599 B10R1.4 CNCc1ccncc1C 2230a_106832991635_100020672808 [0,0,0,0,0,1|3,0,0]=4 600 B10R1.4 CNCc1ccncc1C 34a_100102657272_100020672809 [0,0,0,0,0,1|3,0,0]=4 601 B10R1.4 CNCc1ccncc1C 7a_106832991635_100020672808 [0,0,0,0,0,1|3,0,0]=4 602 B10R1.4 CNCc1nccnc1C 2230a_100020641712_200000210301 [0,0,0,0,0,1|3,0,0]=4 603 B10R1.4 CNCc1nccnc1C 270004a_106832991635_100000050726 [0,0,0,0,0,1|3,0,0]=4 604 B10R1.4 CNCc1nccnc1C 34a_100020641712_200000210301 [0,0,0,0,0,1|3,0,0]=4 605 B10R1.4 COCc1cccnc1C 34a_100000729262_200000210301 [0,0,0,0,0,1|3,0,0]=4 606 B10R1.4 COCc1cccnc1C 34a_100138415774_100000732876 [0,0,0,0,0,1|3,0,0]=4 607 B10R1.4 COCc1cccnc1C 7a_100000729262_200000210301 [0,0,0,0,0,1|3,0,0]=4 608 B10R1.4 COCc1ccncc1C 34a_100011997032_200000210301 [0,0,0,0,0,1|3,0,0]=4 609 B10R1.4 COCc1ccncc1C 34a_100138415774_100020672809 [0,0,0,0,0,1|3,0,0]=4 610 B10R1.4 CSCc1cccnc1C 62a_100000732876_200000210301 [0,0,0,0,0,1|3,0,0]=4 611 B10R1.4 CSCc1cccnc1C 62a_200000210301_100000732876 [0,0,0,0,0,1|3,0,0]=4 612 B10R1.4 CSCc1ccncc1C 62a_100020672808_200000210301 [0,0,0,0,0,1|3,0,0]=4 613 B10R1.4 CSCc1ccncc1C 62a_200000210301_100020672808 [0,0,0,0,0,1|3,0,0]=4 614 B10R1.4 Cc1cnccc1CO[13CH3] 34a_100011997032_200025704644 [0,0,0,0,0,1|3,0,0]=4 615 B10R1.4 Cc1cnccc1CS[13CH3] 62a_100020672808_200025704644 [0,0,0,0,0,1|3,0,0]=4 616 B10R1.4 Cc1cnccc1CS[13CH3] 62a_200025704644_100020672808 [0,0,0,0,0,1|3,0,0]=4 617 B10R1.4 Cc1cnccc1OCF 34a_100000694293_100015361967 [0,0,0,0,0,1|3,0,0]=4 618 B10R1.4 Cc1cnccc1SCF 62a_100000765111_100015361967 [0,0,0,0,0,1|3,0,0]=4 619 B10R1.4 Cc1cnccc1SCF 62a_100015361967_100000765111 [0,0,0,0,0,1|3,0,0]=4 620 B10R1.4 Cc1cncnc1SCF 62a_100011998708_100015361967 [0,0,0,0,0,1|3,0,0]=4 621 B10R1.4 Cc1cncnc1SCF 62a_100015361967_100011998708 [0,0,0,0,0,1|3,0,0]=4 622 B10R1.4 Cc1ncccc1CO[13CH3] 34a_100000729262_200025704644 [0,0,0,0,0,1|3,0,0]=4 623 B10R1.4 Cc1ncccc1CO[13CH3] 7a_100000729262_200025704644 [0,0,0,0,0,1|3,0,0]=4 624 B10R1.4 Cc1ncccc1CS[13CH3] 62a_100000732876_200025704644 [0,0,0,0,0,1|3,0,0]=4 625 B10R1.4 Cc1ncccc1CS[13CH3] 62a_200025704644_100000732876 [0,0,0,0,0,1|3,0,0]=4 626 B10R1.4 Cc1ncccc1OCF 34a_100000745507_100015361967 [0,0,0,0,0,1|3,0,0]=4 627 B10R1.4 Cc1ncccc1OCF 7a_100000745507_100015361967 [0,0,0,0,0,1|3,0,0]=4 628 B10R1.4 Cc1ncccc1SCF 62a_100000751574_100015361967 [0,0,0,0,0,1|3,0,0]=4 629 B10R1.4 Cc1ncccc1SCF 62a_100015361967_100000751574 [0,0,0,0,0,1|3,0,0]=4 630 B10R1.4 Cc1nccnc1CN[13CH3] 2230a_100020641712_200025704644 [0,0,0,0,0,1|3,0,0]=4 631 B10R1.4 Cc1nccnc1CN[13CH3] 34a_100020641712_200025704644 [0,0,0,0,0,1|3,0,0]=4 632 B10R1.4 Cc1nccnc1OCF 34a_100000766352_100015361967 [0,0,0,0,0,1|3,0,0]=4 633 B10R1.4 Cc1nccnc1SCF 62a_100011999405_100015361967 [0,0,0,0,0,1|3,0,0]=4 634 B10R1.4 Cc1nccnc1SCF 62a_100015361967_100011999405 [0,0,0,0,0,1|3,0,0]=4 635 B10R1.4 Cc1ncncc1SCF 62a_100009819671_100015361967 [0,0,0,0,0,1|3,0,0]=4 636 B10R1.4 Cc1ncncc1SCF 62a_100015361967_100009819671 [0,0,0,0,0,1|3,0,0]=4 637 B10R1.4 OCCc1ccccc1O 271570a_203496583355_100000731337 [0,0,0,0,0,1|3,0,0]=4 638 B10R1.10 CCNc1cc(ncn1)C 27a_100015525214_100000744208 [0,0,0,0,0,1|3,0,0]=4 639 B10R1.10 CCNc1ccnc(c1)C 27a_100015525214_100000758586 [0,0,0,0,0,1|3,0,0]=4 640 B10R1.10 CCNc1ccnc(n1)C 27a_100015525214_100000749937 [0,0,0,0,0,1|3,0,0]=4 641 B10R1.10 CCOc1ccnc(c1)C 34a_100000688365_100000210202 [0,0,0,0,0,1|3,0,0]=4 642 B10R1.10 CCSc1cc(ncn1)C 62a_100000210202_100000744208 [0,0,0,0,0,1|3,0,0]=4 643 B10R1.10 CCSc1cc(ncn1)C 62a_100000744208_100000210202 [0,0,0,0,0,1|3,0,0]=4 644 B10R1.10 CCSc1ccnc(c1)C 62a_100000210202_100000758586 [0,0,0,0,0,1|3,0,0]=4 645 B10R1.10 CCSc1ccnc(c1)C 62a_100000758586_100000210202 [0,0,0,0,0,1|3,0,0]=4 646 B10R1.10 CCSc1ccnc(n1)C 62a_100000210202_100000749937 [0,0,0,0,0,1|3,0,0]=4 647 B10R1.10 CCSc1ccnc(n1)C 62a_100000749937_100000210202 [0,0,0,0,0,1|3,0,0]=4 648 B10R1.10 CNCc1ccnc(c1)C 207a_100102657272_100011361630 [0,0,0,0,0,1|3,0,0]=4 649 B10R1.10 CNCc1ccnc(c1)C 2230a_106832991635_200020672517 [0,0,0,0,0,1|3,0,0]=4 650 B10R1.10 CNCc1ccnc(c1)C 270004a_106832991635_100011361630 [0,0,0,0,0,1|3,0,0]=4 651 B10R1.10 CNCc1ccnc(c1)C 34a_100011934566_200000210301 [0,0,0,0,0,1|3,0,0]=4 652 B10R1.10 CNCc1ccnc(c1)C 34a_100102657272_200020672517 [0,0,0,0,0,1|3,0,0]=4 653 B10R1.10 CNCc1ccnc(c1)C 7a_106832991635_200020672517 [0,0,0,0,0,1|3,0,0]=4 654 B10R1.10 CNCc1ccnc(n1)C 270004a_106832991635_100011361539 [0,0,0,0,0,1|3,0,0]=4 655 B10R1.10 COCc1ccnc(c1)C 34a_100011998630_200000210301 [0,0,0,0,0,1|3,0,0]=4 656 B10R1.10 COCc1ccnc(c1)C 34a_100138415774_200020672517 [0,0,0,0,0,1|3,0,0]=4 657 B10R1.10 CSCc1ccnc(c1)C 62a_200000210301_200020672517 [0,0,0,0,0,1|3,0,0]=4 658 B10R1.10 CSCc1ccnc(c1)C 62a_200020672517_200000210301 [0,0,0,0,0,1|3,0,0]=4 659 B10R1.10 Cc1cc(ccn1)CN[13CH3] 34a_100011934566_200025704644 [0,0,0,0,0,1|3,0,0]=4 660 B10R1.10 Cc1cc(ccn1)CO[13CH3] 34a_100011998630_200025704644 [0,0,0,0,0,1|3,0,0]=4 661 B10R1.10 Cc1cc(ccn1)CS[13CH3] 62a_200020672517_200025704644 [0,0,0,0,0,1|3,0,0]=4 662 B10R1.10 Cc1cc(ccn1)CS[13CH3] 62a_200025704644_200020672517 [0,0,0,0,0,1|3,0,0]=4 663 B10R1.10 Cc1cc(ccn1)OCF 34a_100000688365_100015361967 [0,0,0,0,0,1|3,0,0]=4 664 B10R1.10 Cc1cc(ccn1)SCF 62a_100000758586_100015361967 [0,0,0,0,0,1|3,0,0]=4 665 B10R1.10 Cc1cc(ccn1)SCF 62a_100015361967_100000758586 [0,0,0,0,0,1|3,0,0]=4 666 B10R1.10 Cc1cc(ncn1)SCF 62a_100000744208_100015361967 [0,0,0,0,0,1|3,0,0]=4 667 B10R1.10 Cc1cc(ncn1)SCF 62a_100015361967_100000744208 [0,0,0,0,0,1|3,0,0]=4 668 B10R1.10 Cc1nccc(n1)SCF 62a_100000749937_100015361967 [0,0,0,0,0,1|3,0,0]=4 669 B10R1.10 Cc1nccc(n1)SCF 62a_100015361967_100000749937 [0,0,0,0,0,1|3,0,0]=4 670 B10R1.10 OCCc1cccc(c1)O 271570a_203496583355_100011217444 [0,0,0,0,0,1|3,0,0]=4 671 B10R1.10 OCCc1cccc(n1)O 271570a_203496583355_100010221043 [0,0,0,0,0,1|3,0,0]=4 672 B7R0.1 C/C=C/CNCCO 34a_100016990907_100102629194 [1,0,1,0,0,0|2,0,0]=4 673 B7R0.1 C/C=C/COCCO 34a_100016270725_100000211926 [1,0,1,0,0,0|2,0,0]=4 674 B7R0.1 C/C=C/CSCCO 62a_100000211926_100102629194 [1,0,1,0,0,0|1,0,1]=4 675 B7R0.1 C/C=C/CSCCO 62a_100102629194_100000211926 [1,0,1,0,0,0|1,0,1]=4 676 B7R0.1 CC=CCNCCO 2230a_100016997473_100000070051 [1,0,1,0,0,0|2,0,0]=4 677 B7R0.1 CC=CCNCCO 34a_100016990907_100000070051 [1,0,1,0,0,0|2,0,0]=4 678 B7R0.1 CC=CCSCCO 62a_100000070051_100000211926 [1,0,1,0,0,0|1,0,1]=4 679 B7R0.1 CC=CCSCCO 62a_100000211926_100000070051 [1,0,1,0,0,0|1,0,1]=4 680 B7R0.5 C=C(C)C(=O)CCC 1458a_100000185857_100000210303 [1,0,1,0,0,0|1,1,0]=4 681 B7R0.5 C=C(C)C(=O)CCF 1458a_100000185857_100011217306 [1,0,1,0,0,0|1,1,0]=4 682 B7R0.5 C=C(C)C(=O)CCO 1458a_100000185857_100000211926 [1,0,1,0,0,0|0,1,0]=3 683 B7R1.1 C=Cc1cncs1 271570a_100011290941_100011934649 [2,0,0,0,0,0|0,0,2]=4 684 B7R1.1 CNc1nncs1 27a_100102657272_100000739804 [2,0,0,0,0,0|2,0,0]=4 685 B7R1.1 CSc1cccs1 62a_100011215356_200000210301 [2,0,0,0,0,0|2,0,0]=4 686 B7R1.1 CSc1cccs1 62a_200000210301_100011215356 [2,0,0,0,0,0|2,0,0]=4 687 B7R1.1 CSc1cnco1 62a_100020591547_200000210301 [2,0,0,0,0,0|1,1,0]=4 688 B7R1.1 CSc1cnco1 62a_200000210301_100020591547 [2,0,0,0,0,0|1,1,0]=4 689 B7R1.1 CSc1cncs1 62a_100011934649_200000210301 [2,0,0,0,0,0|1,0,0]=3 690 B7R1.1 CSc1cncs1 62a_200000210301_100011934649 [2,0,0,0,0,0|1,0,0]=3 691 B7R1.1 CSc1nncs1 62a_100000739804_200000210301 [2,0,0,0,0,0|2,0,0]=4 692 B7R1.1 CSc1nncs1 62a_200000210301_100000739804 [2,0,0,0,0,0|2,0,0]=4 693 B7R1.1 [13CH3]Sc1cccs1 62a_100011215356_200025704644 [2,0,0,0,0,0|2,0,0]=4 694 B7R1.1 [13CH3]Sc1cccs1 62a_200025704644_100011215356 [2,0,0,0,0,0|2,0,0]=4 695 B7R1.1 [13CH3]Sc1cnco1 62a_100020591547_200025704644 [2,0,0,0,0,0|1,1,0]=4 696 B7R1.1 [13CH3]Sc1cnco1 62a_200025704644_100020591547 [2,0,0,0,0,0|1,1,0]=4 697 B7R1.1 [13CH3]Sc1cncs1 62a_100011934649_200025704644 [2,0,0,0,0,0|1,0,0]=3 698 B7R1.1 [13CH3]Sc1cncs1 62a_200025704644_100011934649 [2,0,0,0,0,0|1,0,0]=3 699 B7R1.1 [13CH3]Sc1nncs1 62a_100000739804_200025704644 [2,0,0,0,0,0|2,0,0]=4 700 B7R1.1 [13CH3]Sc1nncs1 62a_200025704644_100000739804 [2,0,0,0,0,0|2,0,0]=4 701 B7R1.4 Cc1[nH]cnc1O 271570a_203496583355_100009816806 [2,0,0,0,0,0|1,0,1]=4 702 B7R1.4 Cc1ccsc1O 271570a_203496583355_100000742657 [2,0,0,0,0,0|1,0,0]=3 703 B7R1.4 Cc1n[nH]cc1O 271570a_203496583355_100011912673 [2,0,0,0,0,0|2,0,0]=4 704 B7R1.4 Cc1ncsc1O 271570a_203496583355_100009817116 [2,0,0,0,0,0|0,0,0]=2 705 B7R1.4 Cc1sccc1O 271570a_203496583355_100000684487 [2,0,0,0,0,0|2,0,0]=4 706 B7R1.4 Cc1scnc1O 271570a_203496583355_100000732656 [2,0,0,0,0,0|1,0,0]=3 707 B7R1.4 Cn1nccc1O 271570a_203496583355_100000688441 [2,0,0,0,0,0|2,0,0]=4 708 B7R1.4 Cn1ncnc1O 271570a_203496583355_100000732653 [2,0,0,0,0,0|2,0,0]=4 709 B7R1.4 Oc1[nH]cnc1Cl 271570a_203496583355_100010200774 [2,0,0,0,0,0|2,0,0]=4 710 B7R1.4 Oc1sccc1Br 271570a_203496583355_100012361411 [2,0,0,0,0,0|2,0,0]=4 711 B9R0.35 CO/N=C(\C)/C(=O)CCO 1458a_100160996864_100000211926 [0,1,1,0,0,0|2,0,0]=4 712 B9R1.7 CCCc1ccc(s1)O 271570a_203496583355_100010157708 [1,1,0,0,0,0|2,0,0]=4 713 B9R1.7 CCSc1cnc(s1)Br 62a_100000210202_100012357534 [1,1,0,0,0,0|2,0,0]=4 714 B9R1.7 CCSc1cnc(s1)Br 62a_100012357534_100000210202 [1,1,0,0,0,0|2,0,0]=4 715 B9R1.7 CCSc1cnc(s1)C 62a_100000210202_100000764884 [1,1,0,0,0,0|2,0,0]=4 716 B9R1.7 CCSc1cnc(s1)C 62a_100000764884_100000210202 [1,1,0,0,0,0|2,0,0]=4 717 B9R1.7 CCSc1cnc(s1)N 62a_100000210202_100000718969 [1,1,0,0,0,0|2,0,0]=4 718 B9R1.7 CCSc1cnc(s1)N 62a_100000718969_100000210202 [1,1,0,0,0,0|2,0,0]=4 719 B9R1.7 CNCc1cnc(s1)Br 2230a_100000726991_200000210301 [1,1,0,0,0,0|2,0,0]=4 720 B9R1.7 CNCc1cnc(s1)Br 2230a_106832991635_100000717027 [1,1,0,0,0,0|2,0,0]=4 721 B9R1.7 CNCc1cnc(s1)Br 270004a_106832991635_100009814069 [1,1,0,0,0,0|2,0,0]=4 722 B9R1.7 CNCc1cnc(s1)Br 34a_100102657272_100000717027 [1,1,0,0,0,0|2,0,0]=4 723 B9R1.7 CNCc1cnc(s1)Br 7a_106832991635_100000717027 [1,1,0,0,0,0|2,0,0]=4 724 B9R1.7 CNCc1cnc(s1)C 207a_100102657272_100000740557 [1,1,0,0,0,0|2,0,0]=4 725 B9R1.7 CNCc1cnc(s1)C 2230a_106832991635_100020635045 [1,1,0,0,0,0|2,0,0]=4 726 B9R1.7 CNCc1cnc(s1)C 2230a_200000743601_200000210301 [1,1,0,0,0,0|2,0,0]=4 727 B9R1.7 CNCc1cnc(s1)C 270004a_106832991635_100000740557 [1,1,0,0,0,0|2,0,0]=4 728 B9R1.7 CNCc1cnc(s1)C 34a_100102657272_100020635045 [1,1,0,0,0,0|2,0,0]=4 729 B9R1.7 CNCc1cnc(s1)C 7a_106832991635_100020635045 [1,1,0,0,0,0|2,0,0]=4 730 B9R1.7 CNCc1cnc(s1)Cl 2230a_100000726635_200000210301 [1,1,0,0,0,0|2,0,0]=4 731 B9R1.7 CNCc1cnc(s1)Cl 2230a_106832991635_100000058068 [1,1,0,0,0,0|2,0,0]=4 732 B9R1.7 CNCc1cnc(s1)Cl 270004a_106832991635_100000696999 [1,1,0,0,0,0|2,0,0]=4 733 B9R1.7 CNCc1cnc(s1)Cl 34a_100102657272_100000058068 [1,1,0,0,0,0|2,0,0]=4 734 B9R1.7 CNCc1cnc(s1)Cl 7a_106832991635_100000058068 [1,1,0,0,0,0|2,0,0]=4 735 B9R1.7 COCc1cnc(s1)Br 34a_100138415774_100000717027 [1,1,0,0,0,0|2,0,0]=4 736 B9R1.7 COCc1cnc(s1)Br 7a_100009816753_200000210301 [1,1,0,0,0,0|2,0,0]=4 737 B9R1.7 COCc1cnc(s1)C 34a_100138415774_100020635045 [1,1,0,0,0,0|2,0,0]=4 738 B9R1.7 COCc1cnc(s1)C 7a_100000743366_200000210301 [1,1,0,0,0,0|2,0,0]=4 739 B9R1.7 COCc1cnc(s1)Cl 34a_100138415774_100000058068 [1,1,0,0,0,0|2,0,0]=4 740 B9R1.7 COCc1cnc(s1)Cl 7a_100000697714_200000210301 [1,1,0,0,0,0|2,0,0]=4 741 B9R1.7 COCc1cnc(s1)N 7a_100011997359_200000210301 [1,1,0,0,0,0|2,0,0]=4 742 B9R1.7 CSCc1cnc(s1)Br 62a_100000717027_200000210301 [1,1,0,0,0,0|2,0,0]=4 743 B9R1.7 CSCc1cnc(s1)Br 62a_200000210301_100000717027 [1,1,0,0,0,0|2,0,0]=4 744 B9R1.7 CSCc1cnc(s1)C 62a_100020635045_200000210301 [1,1,0,0,0,0|2,0,0]=4 745 B9R1.7 CSCc1cnc(s1)C 62a_200000210301_100020635045 [1,1,0,0,0,0|2,0,0]=4 746 B9R1.7 CSCc1cnc(s1)Cl 62a_100000058068_200000210301 [1,1,0,0,0,0|2,0,0]=4 747 B9R1.7 CSCc1cnc(s1)Cl 62a_200000210301_100000058068 [1,1,0,0,0,0|2,0,0]=4 748 B9R1.7 Cc1ncc(s1)CN[13CH3] 2230a_200000743601_200025704644 [1,1,0,0,0,0|2,0,0]=4 749 B9R1.7 Cc1ncc(s1)CO[13CH3] 7a_100000743366_200025704644 [1,1,0,0,0,0|2,0,0]=4 750 B9R1.7 Cc1ncc(s1)CS[13CH3] 62a_100020635045_200025704644 [1,1,0,0,0,0|2,0,0]=4 751 B9R1.7 Cc1ncc(s1)CS[13CH3] 62a_200025704644_100020635045 [1,1,0,0,0,0|2,0,0]=4 752 B9R1.7 Cc1ncc(s1)SCF 62a_100000764884_100015361967 [1,1,0,0,0,0|2,0,0]=4 753 B9R1.7 Cc1ncc(s1)SCF 62a_100015361967_100000764884 [1,1,0,0,0,0|2,0,0]=4 754 B9R1.7 Cc1noc(n1)CCO 270196a_100000212224_100011216618 [1,1,0,0,0,0|2,0,0]=4 755 B9R1.7 FCSc1cnc(s1)Br 62a_100012357534_100015361967 [1,1,0,0,0,0|2,0,0]=4 756 B9R1.7 FCSc1cnc(s1)Br 62a_100015361967_100012357534 [1,1,0,0,0,0|2,0,0]=4 757 B9R1.7 Nc1ncc(s1)SCF 62a_100000718969_100015361967 [1,1,0,0,0,0|2,0,0]=4 758 B9R1.7 Nc1ncc(s1)SCF 62a_100015361967_100000718969 [1,1,0,0,0,0|2,0,0]=4 759 B9R1.7 [13CH3]NCc1cnc(s1)Br 2230a_100000726991_200025704644 [1,1,0,0,0,0|2,0,0]=4 760 B9R1.7 [13CH3]NCc1cnc(s1)Cl 2230a_100000726635_200025704644 [1,1,0,0,0,0|2,0,0]=4 761 B9R1.7 [13CH3]OCc1cnc(s1)Br 7a_100009816753_200025704644 [1,1,0,0,0,0|2,0,0]=4 762 B9R1.7 [13CH3]OCc1cnc(s1)Cl 7a_100000697714_200025704644 [1,1,0,0,0,0|2,0,0]=4 763 B9R1.7 [13CH3]OCc1cnc(s1)N 7a_100011997359_200025704644 [1,1,0,0,0,0|2,0,0]=4 764 B9R1.7 [13CH3]SCc1cnc(s1)Br 62a_100000717027_200025704644 [1,1,0,0,0,0|2,0,0]=4 765 B9R1.7 [13CH3]SCc1cnc(s1)Br 62a_200025704644_100000717027 [1,1,0,0,0,0|2,0,0]=4 766 B9R1.7 [13CH3]SCc1cnc(s1)Cl 62a_100000058068_200025704644 [1,1,0,0,0,0|2,0,0]=4 767 B9R1.7 [13CH3]SCc1cnc(s1)Cl 62a_200025704644_100000058068 [1,1,0,0,0,0|2,0,0]=4 768 B9R1.12 C#CCSc1cncs1 62a_100000038162_100011934649 [1,1,0,0,0,0|1,0,1]=4 769 B9R1.12 C=CCSc1cncs1 62a_100000210623_100011934649 [1,1,0,0,0,0|1,0,1]=4 770 B9R1.12 C=CCSc1cncs1 62a_100011934649_100000210623 [1,1,0,0,0,0|1,0,1]=4 771 B9R1.12 CCCCc1cccs1 271570a_100020621405_100011215356 [1,1,0,0,0,0|2,0,0]=4 772 B9R1.12 CCCCc1cnco1 271570a_100020621405_100020591547 [1,1,0,0,0,0|1,1,0]=4 773 B9R1.12 CCCCc1cncs1 271570a_100020621405_100011934649 [1,1,0,0,0,0|1,0,0]=3 774 B9R1.12 CCCCc1nncs1 271570a_100020621405_100000739804 [1,1,0,0,0,0|2,0,0]=4 775 B9R1.12 CCCSc1cccs1 62a_100000210303_100011215356 [1,1,0,0,0,0|2,0,0]=4 776 B9R1.12 CCCSc1cccs1 62a_100011215356_100000210303 [1,1,0,0,0,0|2,0,0]=4 777 B9R1.12 CCCSc1cnco1 62a_100000210303_100020591547 [1,1,0,0,0,0|1,1,0]=4 778 B9R1.12 CCCSc1cnco1 62a_100020591547_100000210303 [1,1,0,0,0,0|1,1,0]=4 779 B9R1.12 CCCSc1cncs1 62a_100000210303_100011934649 [1,1,0,0,0,0|1,0,0]=3 780 B9R1.12 CCCSc1cncs1 62a_100011934649_100000210303 [1,1,0,0,0,0|1,0,0]=3 781 B9R1.12 CCCSc1nncs1 62a_100000210303_100000739804 [1,1,0,0,0,0|2,0,0]=4 782 B9R1.12 CCCSc1nncs1 62a_100000739804_100000210303 [1,1,0,0,0,0|2,0,0]=4 783 B9R1.12 CCNCc1cccs1 207a_100015525214_100000209959 [1,1,0,0,0,0|2,0,0]=4 784 B9R1.12 CCNCc1cccs1 2230a_100000211653_100000210202 [1,1,0,0,0,0|2,0,0]=4 785 B9R1.12 CCNCc1cccs1 270004a_100015525214_100000209959 [1,1,0,0,0,0|2,0,0]=4 786 B9R1.12 CCNCc1cnc[nH]1 207a_100015525214_100000742939 [1,1,0,0,0,0|2,0,0]=4 787 B9R1.12 CCNCc1cnco1 270004a_100015525214_100000064291 [1,1,0,0,0,0|1,1,0]=4 788 B9R1.12 CCNCc1cncs1 207a_100015525214_100000749870 [1,1,0,0,0,0|1,0,0]=3 789 B9R1.12 CCNCc1cncs1 2230a_100015525214_100015185245 [1,1,0,0,0,0|1,0,0]=3 790 B9R1.12 CCNCc1cncs1 2230a_100016987365_100000210202 [1,1,0,0,0,0|1,0,0]=3 791 B9R1.12 CCNCc1cncs1 270004a_100015525214_100000749870 [1,1,0,0,0,0|1,0,0]=3 792 B9R1.12 CCOCc1cccs1 34a_100000211240_100000210202 [1,1,0,0,0,0|2,0,0]=4 793 B9R1.12 CCOCc1cncs1 34a_100121572206_100015185245 [1,1,0,0,0,0|1,0,0]=3 794 B9R1.12 CCSCc1cncs1 62a_100000210202_100015185245 [1,1,0,0,0,0|1,0,0]=3 795 B9R1.12 CCSCc1cncs1 62a_100015185245_100000210202 [1,1,0,0,0,0|1,0,0]=3 796 B9R1.12 CNCCc1cccs1 2230a_100000203755_200000210301 [1,1,0,0,0,0|2,0,0]=4 797 B9R1.12 CNCCc1cccs1 2230a_106832991635_100000748579 [1,1,0,0,0,0|2,0,0]=4 798 B9R1.12 CNCCc1cccs1 34a_100000203755_200000210301 [1,1,0,0,0,0|2,0,0]=4 799 B9R1.12 CNCCc1cccs1 34a_100102657272_100000748579 [1,1,0,0,0,0|2,0,0]=4 800 B9R1.12 CNCCc1cccs1 7a_106832991635_100000748579 [1,1,0,0,0,0|2,0,0]=4 801 B9R1.12 CNCCc1cncs1 2230a_100016991637_200000210301 [1,1,0,0,0,0|1,0,0]=3 802 B9R1.12 COCCc1cccs1 34a_100011216825_200000210301 [1,1,0,0,0,0|1,0,0]=3 803 B9R1.12 COCCc1cccs1 34a_100138415774_100000748579 [1,1,0,0,0,0|1,0,0]=3 804 B9R1.12 COCCc1cccs1 7a_100011216825_200000210301 [1,1,0,0,0,0|1,0,0]=3 805 B9R1.12 COCCc1ccsc1 34a_100000748821_200000210301 [1,1,0,0,0,0|2,0,0]=4 806 B9R1.12 COCCc1cn[nH]c1 34a_100000766553_200000210301 [1,1,0,0,0,0|2,0,0]=4 807 B9R1.12 COCCc1cnoc1 34a_100000732699_200000210301 [1,1,0,0,0,0|2,0,0]=4 808 B9R1.12 COCCn1ccnc1 34a_100000719764_200000210301 [1,1,0,0,0,0|2,0,0]=4 809 B9R1.12 COCCn1cncn1 34a_100000745309_200000210301 [1,1,0,0,0,0|2,0,0]=4 810 B9R1.12 COCCn1cncn1 34a_100138415774_200000749826 [1,1,0,0,0,0|2,0,0]=4 811 B9R1.12 COCSc1cccs1 62a_100000766300_100011215356 [1,1,0,0,0,0|2,0,0]=4 812 B9R1.12 COCSc1cccs1 62a_100011215356_100000766300 [1,1,0,0,0,0|2,0,0]=4 813 B9R1.12 COCSc1cnco1 62a_100000766300_100020591547 [1,1,0,0,0,0|1,1,0]=4 814 B9R1.12 COCSc1cnco1 62a_100020591547_100000766300 [1,1,0,0,0,0|1,1,0]=4 815 B9R1.12 COCSc1cncs1 62a_100000766300_100011934649 [1,1,0,0,0,0|1,0,0]=3 816 B9R1.12 COCSc1cncs1 62a_100011934649_100000766300 [1,1,0,0,0,0|1,0,0]=3 817 B9R1.12 COCSc1nncs1 62a_100000739804_100000766300 [1,1,0,0,0,0|2,0,0]=4 818 B9R1.12 COCSc1nncs1 62a_100000766300_100000739804 [1,1,0,0,0,0|2,0,0]=4 819 B9R1.12 CSCCc1cccs1 62a_100000748579_200000210301 [1,1,0,0,0,0|1,1,0]=4 820 B9R1.12 CSCCc1cccs1 62a_200000210301_100000748579 [1,1,0,0,0,0|1,1,0]=4 821 B9R1.12 CSCSc1cncs1 62a_100011218213_100011934649 [1,1,0,0,0,0|1,1,0]=4 822 B9R1.12 CSCSc1cncs1 62a_100011934649_100011218213 [1,1,0,0,0,0|1,1,0]=4 823 B9R1.12 FCCSc1cccs1 62a_100011215356_100011217306 [1,1,0,0,0,0|2,0,0]=4 824 B9R1.12 FCCSc1cccs1 62a_100011217306_100011215356 [1,1,0,0,0,0|2,0,0]=4 825 B9R1.12 FCCSc1cnco1 62a_100011217306_100020591547 [1,1,0,0,0,0|1,1,0]=4 826 B9R1.12 FCCSc1cnco1 62a_100020591547_100011217306 [1,1,0,0,0,0|1,1,0]=4 827 B9R1.12 FCCSc1cncs1 62a_100011217306_100011934649 [1,1,0,0,0,0|1,0,0]=3 828 B9R1.12 FCCSc1cncs1 62a_100011934649_100011217306 [1,1,0,0,0,0|1,0,0]=3 829 B9R1.12 FCCSc1nncs1 62a_100000739804_100011217306 [1,1,0,0,0,0|2,0,0]=4 830 B9R1.12 FCCSc1nncs1 62a_100011217306_100000739804 [1,1,0,0,0,0|2,0,0]=4 831 B9R1.12 FCOCc1cccs1 34a_100000211240_100015361967 [1,1,0,0,0,0|2,0,0]=4 832 B9R1.12 FCSCc1cncs1 62a_100015185245_100015361967 [1,1,0,0,0,0|1,0,0]=3 833 B9R1.12 FCSCc1cncs1 62a_100015361967_100015185245 [1,1,0,0,0,0|1,0,0]=3 834 B9R1.12 N#CCSc1cncs1 62a_100011215382_100011934649 [1,1,0,0,0,0|1,0,1]=4 835 B9R1.12 N#CCSc1cncs1 62a_100011934649_100011215382 [1,1,0,0,0,0|1,0,1]=4 836 B9R1.12 O=CCSc1cncs1 62a_100011934649_200015260668 [1,1,0,0,0,0|0,0,2]=4 837 B9R1.12 O=CCSc1cncs1 62a_200015260668_100011934649 [1,1,0,0,0,0|0,0,2]=4 838 B9R1.12 OCCNc1ncns1 27a_100000210304_100000693119 [1,1,0,0,0,0|2,0,0]=4 839 B9R1.12 OCCNc1nncs1 27a_100000210304_100000739804 [1,1,0,0,0,0|1,0,0]=3 840 B9R1.12 OCCOc1ccsc1 34a_100000106738_100000211926 [1,1,0,0,0,0|2,0,0]=4 841 B9R1.12 OCCOc1ccsc1 7a_100000106738_100000211926 [1,1,0,0,0,0|2,0,0]=4 842 B9R1.12 OCCSc1c[nH]cn1 62a_100000211926_100000756875 [1,1,0,0,0,0|1,0,1]=4 843 B9R1.12 OCCSc1c[nH]cn1 62a_100000756875_100000211926 [1,1,0,0,0,0|1,0,1]=4 844 B9R1.12 OCCSc1ccco1 62a_100000211926_100009814098 [1,1,0,0,0,0|1,1,0]=4 845 B9R1.12 OCCSc1ccco1 62a_100009814098_100000211926 [1,1,0,0,0,0|1,1,0]=4 846 B9R1.12 OCCSc1cccs1 62a_100000211926_100011215356 [1,1,0,0,0,0|1,0,0]=3 847 B9R1.12 OCCSc1cccs1 62a_100011215356_100000211926 [1,1,0,0,0,0|1,0,0]=3 848 B9R1.12 OCCSc1ccoc1 62a_100000211926_100011215275 [1,1,0,0,0,0|2,0,0]=4 849 B9R1.12 OCCSc1ccoc1 62a_100011215275_100000211926 [1,1,0,0,0,0|2,0,0]=4 850 B9R1.12 OCCSc1ccsc1 62a_100000211926_100000738268 [1,1,0,0,0,0|2,0,0]=4 851 B9R1.12 OCCSc1ccsc1 62a_100000738268_100000211926 [1,1,0,0,0,0|2,0,0]=4 852 B9R1.12 OCCSc1cn[nH]c1 62a_100000211926_100000238712 [1,1,0,0,0,0|2,0,0]=4 853 B9R1.12 OCCSc1cn[nH]c1 62a_100000238712_100000211926 [1,1,0,0,0,0|2,0,0]=4 854 B9R1.12 OCCSc1cnco1 62a_100000211926_100020591547 [1,1,0,0,0,0|0,1,0]=3 855 B9R1.12 OCCSc1cnco1 62a_100020591547_100000211926 [1,1,0,0,0,0|0,1,0]=3 856 B9R1.12 OCCSc1cncs1 62a_100000211926_100011934649 [1,1,0,0,0,0|0,0,0]=2 857 B9R1.12 OCCSc1cncs1 62a_100011934649_100000211926 [1,1,0,0,0,0|0,0,0]=2 858 B9R1.12 OCCSc1cnoc1 62a_100000211926_100009815712 [1,1,0,0,0,0|2,0,0]=4 859 B9R1.12 OCCSc1cnoc1 62a_100009815712_100000211926 [1,1,0,0,0,0|2,0,0]=4 860 B9R1.12 OCCSc1cnsc1 62a_100000211926_100009815736 [1,1,0,0,0,0|2,0,0]=4 861 B9R1.12 OCCSc1cnsc1 62a_100009815736_100000211926 [1,1,0,0,0,0|2,0,0]=4 862 B9R1.12 OCCSc1cscn1 62a_100000211926_100000751502 [1,1,0,0,0,0|2,0,0]=4 863 B9R1.12 OCCSc1cscn1 62a_100000751502_100000211926 [1,1,0,0,0,0|2,0,0]=4 864 B9R1.12 OCCSc1nccs1 62a_100000211926_100000211983 [1,1,0,0,0,0|2,0,0]=4 865 B9R1.12 OCCSc1nccs1 62a_100000211983_100000211926 [1,1,0,0,0,0|2,0,0]=4 866 B9R1.12 OCCSc1ncns1 62a_100000211926_100000693119 [1,1,0,0,0,0|2,0,0]=4 867 B9R1.12 OCCSc1ncns1 62a_100000693119_100000211926 [1,1,0,0,0,0|2,0,0]=4 868 B9R1.12 OCCSc1nncs1 62a_100000211926_100000739804 [1,1,0,0,0,0|1,0,0]=3 869 B9R1.12 OCCSc1nncs1 62a_100000739804_100000211926 [1,1,0,0,0,0|1,0,0]=3 870 B9R1.12 [13CH3]NCCc1cccs1 2230a_100000203755_200025704644 [1,1,0,0,0,0|2,0,0]=4 871 B9R1.12 [13CH3]NCCc1cccs1 34a_100000203755_200025704644 [1,1,0,0,0,0|2,0,0]=4 872 B9R1.12 [13CH3]NCCc1cncs1 2230a_100016991637_200025704644 [1,1,0,0,0,0|1,0,0]=3 873 B9R1.12 [13CH3]OCCc1cccs1 34a_100011216825_200025704644 [1,1,0,0,0,0|1,0,0]=3 874 B9R1.12 [13CH3]OCCc1cccs1 7a_100011216825_200025704644 [1,1,0,0,0,0|1,0,0]=3 875 B9R1.12 [13CH3]OCCc1ccsc1 34a_100000748821_200025704644 [1,1,0,0,0,0|2,0,0]=4 876 B9R1.12 [13CH3]OCCc1cn[nH]c1 34a_100000766553_200025704644 [1,1,0,0,0,0|2,0,0]=4 877 B9R1.12 [13CH3]OCCc1cnoc1 34a_100000732699_200025704644 [1,1,0,0,0,0|2,0,0]=4 878 B9R1.12 [13CH3]OCCn1ccnc1 34a_100000719764_200025704644 [1,1,0,0,0,0|2,0,0]=4 879 B9R1.12 [13CH3]OCCn1cncn1 34a_100000745309_200025704644 [1,1,0,0,0,0|2,0,0]=4 880 B9R1.12 [13CH3]SCCc1cccs1 62a_100000748579_200025704644 [1,1,0,0,0,0|1,1,0]=4 881 B9R1.12 [13CH3]SCCc1cccs1 62a_200025704644_100000748579 [1,1,0,0,0,0|1,1,0]=4 882 B9R1.13 CC(=O)Cc1cncs1 1458a_100000070787_100015185245 [1,1,0,0,0,0|0,0,2]=4 883 B9R1.13 CC(C)Sc1cncs1 62a_100000210206_100011934649 [1,1,0,0,0,0|2,0,0]=4 884 B9R1.13 CC(C)Sc1cncs1 62a_100011934649_100000210206 [1,1,0,0,0,0|2,0,0]=4 885 B9R1.13 CN(C)Cc1cncs1 2230a_100102631434_100015185245 [1,1,0,0,0,0|2,0,0]=4 886 B9R1.13 CN(C)Cc1cncs1 269982a_100102631434_100015185245 [1,1,0,0,0,0|2,0,0]=4 887 B9R1.13 CN(C)Cc1cncs1 270004a_100102631434_100000749870 [1,1,0,0,0,0|2,0,0]=4 888 B9R1.14 C=Cc1ccsc1CO 271570a_100011290941_100000702026 [1,1,0,0,0,0|1,0,1]=4 889 B9R1.14 C=Cc1ncsc1CO 271570a_100011290941_100012000948 [1,1,0,0,0,0|0,0,1]=3 890 B9R1.14 CCc1ccsc1SC 62a_200000210301_200009875468 [1,1,0,0,0,0|2,0,0]=4 891 B9R1.14 CCc1ccsc1SC 62a_200009875468_200000210301 [1,1,0,0,0,0|2,0,0]=4 892 B9R1.14 CCc1ccsc1S[13CH3] 62a_200009875468_200025704644 [1,1,0,0,0,0|2,0,0]=4 893 B9R1.14 CCc1ccsc1S[13CH3] 62a_200025704644_200009875468 [1,1,0,0,0,0|2,0,0]=4 894 B9R1.14 CCn1ccnc1SC 62a_100011617267_200000210301 [1,1,0,0,0,0|2,0,0]=4 895 B9R1.14 CCn1ccnc1SC 62a_200000210301_100011617267 [1,1,0,0,0,0|2,0,0]=4 896 B9R1.14 CCn1ccnc1S[13CH3] 62a_100011617267_200025704644 [1,1,0,0,0,0|2,0,0]=4 897 B9R1.14 CCn1ccnc1S[13CH3] 62a_200025704644_100011617267 [1,1,0,0,0,0|2,0,0]=4 898 B9R1.14 CCn1ncnc1NC 27a_100102657272_100009879425 [1,1,0,0,0,0|2,0,0]=4 899 B9R1.14 CCn1ncnc1SC 62a_100009879425_200000210301 [1,1,0,0,0,0|2,0,0]=4 900 B9R1.14 CCn1ncnc1SC 62a_200000210301_100009879425 [1,1,0,0,0,0|2,0,0]=4 901 B9R1.14 CCn1ncnc1S[13CH3] 62a_100009879425_200025704644 [1,1,0,0,0,0|2,0,0]=4 902 B9R1.14 CCn1ncnc1S[13CH3] 62a_200025704644_100009879425 [1,1,0,0,0,0|2,0,0]=4 903 B9R1.14 CSc1ccsc1CO 62a_100000702026_200000210301 [1,1,0,0,0,0|1,0,0]=3 904 B9R1.14 CSc1ccsc1CO 62a_200000210301_100000702026 [1,1,0,0,0,0|1,0,0]=3 905 B9R1.14 CSc1ccsc1SC 62a_200000210301_200010341309 [1,1,0,0,0,0|2,0,0]=4 906 B9R1.14 CSc1ccsc1SC 62a_200010341309_200000210301 [1,1,0,0,0,0|2,0,0]=4 907 B9R1.14 CSc1ncsc1CO 62a_100012000948_200000210301 [1,1,0,0,0,0|0,0,0]=2 908 B9R1.14 CSc1ncsc1CO 62a_200000210301_100012000948 [1,1,0,0,0,0|0,0,0]=2 909 B9R1.14 CSc1sccc1CN 62a_100000727803_200000210301 [1,1,0,0,0,0|2,0,0]=4 910 B9R1.14 CSc1sccc1CN 62a_200000210301_100000727803 [1,1,0,0,0,0|2,0,0]=4 911 B9R1.14 CSc1sccc1CO 62a_100009816922_200000210301 [1,1,0,0,0,0|2,0,0]=4 912 B9R1.14 CSc1sccc1CO 62a_200000210301_100009816922 [1,1,0,0,0,0|2,0,0]=4 913 B9R1.14 CSc1sccc1S[13CH3] 62a_200010341309_200025704644 [1,1,0,0,0,0|2,0,0]=4 914 B9R1.14 CSc1sccc1S[13CH3] 62a_200025704644_200010341309 [1,1,0,0,0,0|2,0,0]=4 915 B9R1.14 [13CH3]Sc1ccsc1CO 62a_100000702026_200025704644 [1,1,0,0,0,0|1,0,0]=3 916 B9R1.14 [13CH3]Sc1ccsc1CO 62a_200025704644_100000702026 [1,1,0,0,0,0|1,0,0]=3 917 B9R1.14 [13CH3]Sc1ncsc1CO 62a_100012000948_200025704644 [1,1,0,0,0,0|0,0,0]=2 918 B9R1.14 [13CH3]Sc1ncsc1CO 62a_200025704644_100012000948 [1,1,0,0,0,0|0,0,0]=2 919 B9R1.14 [13CH3]Sc1sccc1CN 62a_100000727803_200025704644 [1,1,0,0,0,0|2,0,0]=4 920 B9R1.14 [13CH3]Sc1sccc1CN 62a_200025704644_100000727803 [1,1,0,0,0,0|2,0,0]=4 921 B9R1.14 [13CH3]Sc1sccc1CO 62a_100009816922_200025704644 [1,1,0,0,0,0|2,0,0]=4 922 B9R1.14 [13CH3]Sc1sccc1CO 62a_200025704644_100009816922 [1,1,0,0,0,0|2,0,0]=4 923 B9R1.22 C=Cc1sc(nc1C)C 271570a_100011290941_100009814099 [1,1,0,0,0,0|0,0,2]=4 924 B9R1.22 CSc1sc(cc1C)C 62a_100000689295_200000210301 [1,1,0,0,0,0|2,0,0]=4 925 B9R1.22 CSc1sc(cc1C)C 62a_200000210301_100000689295 [1,1,0,0,0,0|2,0,0]=4 926 B9R1.22 CSc1sc(nc1C)C 62a_100009814099_200000210301 [1,1,0,0,0,0|1,0,0]=3 927 B9R1.22 CSc1sc(nc1C)C 62a_200000210301_100009814099 [1,1,0,0,0,0|1,0,0]=3 928 B9R1.22 CSc1sc(nc1C)N 62a_100159269596_200000210301 [1,1,0,0,0,0|1,0,0]=3 929 B9R1.22 CSc1sc(nc1C)N 62a_200000210301_100159269596 [1,1,0,0,0,0|1,0,0]=3 930 B9R1.22 Cc1cc(c(s1)S[13CH3])C 62a_100000689295_200025704644 [1,1,0,0,0,0|2,0,0]=4 931 B9R1.22 Cc1cc(c(s1)S[13CH3])C 62a_200025704644_100000689295 [1,1,0,0,0,0|2,0,0]=4 932 B9R1.22 Cc1nc(c(s1)S[13CH3])C 62a_100009814099_200025704644 [1,1,0,0,0,0|1,0,0]=3 933 B9R1.22 Cc1nc(c(s1)S[13CH3])C 62a_200025704644_100009814099 [1,1,0,0,0,0|1,0,0]=3 934 B9R1.22 Cc1nc(sc1C=O)O 271570a_203496583355_100010339034 [1,1,0,0,0,0|0,0,2]=4 935 B9R1.22 Cc1nc(sc1CO)O 271570a_203496583355_100010264302 [1,1,0,0,0,0|0,0,0]=2 936 B9R1.22 Cc1nc(sc1S[13CH3])N 62a_100159269596_200025704644 [1,1,0,0,0,0|1,0,0]=3 937 B9R1.22 Cc1nc(sc1S[13CH3])N 62a_200025704644_100159269596 [1,1,0,0,0,0|1,0,0]=3 938 B9R1.22 Cc1sc(nc1CO)O 271570a_203496583355_100010127906 [1,1,0,0,0,0|2,0,0]=4 939 B9R1.27 CCc1c(cnn1C)O 271570a_203496583355_200010713286 [1,1,0,0,0,0|2,0,0]=4 940 B9R1.27 Cn1ncc(c1CO)O 271570a_203496583355_100012039568 [1,1,0,0,0,0|2,0,0]=4 941 B9R1.41 C=C(C)c1sccc1C 271570a_100000694244_100000742657 [1,1,0,0,0,0|1,0,1]=4 942 B9R1.41 C=C(C)c1scnc1C 271570a_100000694244_100009817116 [1,1,0,0,0,0|0,0,1]=3 943 B9R1.41 CC(=O)c1scnc1O 271570a_203496583355_200010339033 [1,1,0,0,0,0|1,0,1]=4 944 B11R1.17 CCCCc1cccnc1C 271570a_100020621405_100000751574 [0,1,0,0,0,1|2,0,0]=4 945 B11R1.17 CCCCc1ccncc1C 271570a_100020621405_100015191297 [0,1,0,0,0,1|2,0,0]=4 946 B11R1.17 CCCCc1cncnc1C 271570a_100020621405_100009819671 [0,1,0,0,0,1|2,0,0]=4 947 B11R1.17 CCCCc1nccnc1C 271570a_100020621405_100011999405 [0,1,0,0,0,1|2,0,0]=4 948 B11R1.17 CCCCc1ncncc1C 271570a_100020621405_100011998708 [0,1,0,0,0,1|2,0,0]=4 949 B11R1.17 CCCOc1cccnc1C 34a_100000745507_100000210303 [0,1,0,0,0,1|2,0,0]=4 950 B11R1.17 CCCOc1cccnc1C 7a_100000745507_100000210303 [0,1,0,0,0,1|2,0,0]=4 951 B11R1.17 CCCOc1ccncc1C 34a_100000694293_100000210303 [0,1,0,0,0,1|2,0,0]=4 952 B11R1.17 CCCOc1nccnc1C 34a_100000766352_100000210303 [0,1,0,0,0,1|2,0,0]=4 953 B11R1.17 CCCSc1cccnc1C 62a_100000210303_100000751574 [0,1,0,0,0,1|2,0,0]=4 954 B11R1.17 CCCSc1cccnc1C 62a_100000751574_100000210303 [0,1,0,0,0,1|2,0,0]=4 955 B11R1.17 CCCSc1ccncc1C 62a_100000210303_100000765111 [0,1,0,0,0,1|2,0,0]=4 956 B11R1.17 CCCSc1ccncc1C 62a_100000765111_100000210303 [0,1,0,0,0,1|2,0,0]=4 957 B11R1.17 CCCSc1cncnc1C 62a_100000210303_100009819671 [0,1,0,0,0,1|2,0,0]=4 958 B11R1.17 CCCSc1cncnc1C 62a_100009819671_100000210303 [0,1,0,0,0,1|2,0,0]=4 959 B11R1.17 CCCSc1nccnc1C 62a_100000210303_100011999405 [0,1,0,0,0,1|2,0,0]=4 960 B11R1.17 CCCSc1nccnc1C 62a_100011999405_100000210303 [0,1,0,0,0,1|2,0,0]=4 961 B11R1.17 CCCSc1ncncc1C 62a_100000210303_100011998708 [0,1,0,0,0,1|2,0,0]=4 962 B11R1.17 CCCSc1ncncc1C 62a_100011998708_100000210303 [0,1,0,0,0,1|2,0,0]=4 963 B11R1.17 CCNCc1cccnc1C 207a_100015525214_100000751968 [0,1,0,0,0,1|2,0,0]=4 964 B11R1.17 CCNCc1cccnc1C 2230a_100015525214_100000732876 [0,1,0,0,0,1|2,0,0]=4 965 B11R1.17 CCNCc1cccnc1C 270004a_100015525214_100000751968 [0,1,0,0,0,1|2,0,0]=4 966 B11R1.17 CCNCc1ccncc1C 2230a_100015525214_100020672808 [0,1,0,0,0,1|2,0,0]=4 967 B11R1.17 CCNCc1nccnc1C 2230a_100020641712_100000210202 [0,1,0,0,0,1|2,0,0]=4 968 B11R1.17 CCNCc1nccnc1C 270004a_100015525214_100000050726 [0,1,0,0,0,1|2,0,0]=4 969 B11R1.17 CCNCc1nccnc1C 34a_100020641712_100000210202 [0,1,0,0,0,1|2,0,0]=4 970 B11R1.17 CCOCc1cccnc1C 34a_100000729262_100000210202 [0,1,0,0,0,1|2,0,0]=4 971 B11R1.17 CCOCc1cccnc1C 34a_100121572206_100000732876 [0,1,0,0,0,1|2,0,0]=4 972 B11R1.17 CCOCc1cccnc1C 7a_100000729262_100000210202 [0,1,0,0,0,1|2,0,0]=4 973 B11R1.17 CCOCc1ccncc1C 34a_100011997032_100000210202 [0,1,0,0,0,1|2,0,0]=4 974 B11R1.17 CCOCc1ccncc1C 34a_100121572206_100020672809 [0,1,0,0,0,1|2,0,0]=4 975 B11R1.17 CCSCc1cccnc1C 62a_100000210202_100000732876 [0,1,0,0,0,1|2,0,0]=4 976 B11R1.17 CCSCc1cccnc1C 62a_100000732876_100000210202 [0,1,0,0,0,1|2,0,0]=4 977 B11R1.17 CCSCc1ccncc1C 62a_100000210202_100020672808 [0,1,0,0,0,1|2,0,0]=4 978 B11R1.17 CCSCc1ccncc1C 62a_100020672808_100000210202 [0,1,0,0,0,1|2,0,0]=4 979 B11R1.17 COCCc1ccccc1C 34a_100011220023_200000210301 [0,1,0,0,0,1|2,0,0]=4 980 B11R1.17 COCCc1ccccc1C 34a_100138415774_100011713688 [0,1,0,0,0,1|2,0,0]=4 981 B11R1.17 COCCc1ccccc1C 7a_100011220023_200000210301 [0,1,0,0,0,1|2,0,0]=4 982 B11R1.17 COCCc1ncccc1C 34a_100011997706_200000210301 [0,1,0,0,0,1|2,0,0]=4 983 B11R1.17 COCCc1ncccc1C 7a_100011997706_200000210301 [0,1,0,0,0,1|2,0,0]=4 984 B11R1.17 COCSc1cccnc1C 62a_100000751574_100000766300 [0,1,0,0,0,1|2,0,0]=4 985 B11R1.17 COCSc1cccnc1C 62a_100000766300_100000751574 [0,1,0,0,0,1|2,0,0]=4 986 B11R1.17 COCSc1ccncc1C 62a_100000765111_100000766300 [0,1,0,0,0,1|2,0,0]=4 987 B11R1.17 COCSc1ccncc1C 62a_100000766300_100000765111 [0,1,0,0,0,1|2,0,0]=4 988 B11R1.17 COCSc1cncnc1C 62a_100000766300_100009819671 [0,1,0,0,0,1|2,0,0]=4 989 B11R1.17 COCSc1cncnc1C 62a_100009819671_100000766300 [0,1,0,0,0,1|2,0,0]=4 990 B11R1.17 COCSc1nccnc1C 62a_100000766300_100011999405 [0,1,0,0,0,1|2,0,0]=4 991 B11R1.17 COCSc1nccnc1C 62a_100011999405_100000766300 [0,1,0,0,0,1|2,0,0]=4 992 B11R1.17 COCSc1ncncc1C 62a_100000766300_100011998708 [0,1,0,0,0,1|2,0,0]=4 993 B11R1.17 COCSc1ncncc1C 62a_100011998708_100000766300 [0,1,0,0,0,1|2,0,0]=4 994 B11R1.17 Cc1ccccc1CCO[13CH3] 34a_100011220023_200025704644 [0,1,0,0,0,1|2,0,0]=4 995 B11R1.17 Cc1ccccc1CCO[13CH3] 7a_100011220023_200025704644 [0,1,0,0,0,1|2,0,0]=4 996 B11R1.17 Cc1ccccc1NCCO 34a_100015192222_100000211926 [0,1,0,0,0,1|2,0,0]=4 997 B11R1.17 Cc1ccccc1OCCO 34a_100000210338_100000211926 [0,1,0,0,0,1|2,0,0]=4 998 B11R1.17 Cc1ccccc1OCCO 7a_100000210338_100000211926 [0,1,0,0,0,1|2,0,0]=4 999 B11R1.17 Cc1ccccc1SCCO 62a_100000210755_100000211926 [0,1,0,0,0,1|2,0,0]=4 1000 B11R1.17 Cc1ccccc1SCCO 62a_100000211926_100000210755 [0,1,0,0,0,1|2,0,0]=4 1001 B11R1.17 Cc1cccnc1CCO[13CH3] 34a_100011997706_200025704644 [0,1,0,0,0,1|2,0,0]=4 1002 B11R1.17 Cc1cccnc1CCO[13CH3] 7a_100011997706_200025704644 [0,1,0,0,0,1|2,0,0]=4 1003 B11R1.17 Cc1cccnc1SCCO 62a_100000211926_100000751373 [0,1,0,0,0,1|2,0,0]=4 1004 B11R1.17 Cc1cccnc1SCCO 62a_100000751373_100000211926 [0,1,0,0,0,1|2,0,0]=4 1005 B11R1.17 Cc1ccncc1OCCO 34a_100011997053_100000211926 [0,1,0,0,0,1|2,0,0]=4 1006 B11R1.17 Cc1ccncc1OCCO 7a_100011997053_100000211926 [0,1,0,0,0,1|2,0,0]=4 1007 B11R1.17 Cc1ccncc1SCCO 62a_100000211926_100000761580 [0,1,0,0,0,1|2,0,0]=4 1008 B11R1.17 Cc1ccncc1SCCO 62a_100000761580_100000211926 [0,1,0,0,0,1|2,0,0]=4 1009 B11R1.17 Cc1ccnnc1NCCO 27a_100000210304_100000089043 [0,1,0,0,0,1|2,0,0]=4 1010 B11R1.17 Cc1ccnnc1SCCO 62a_100000211926_100000089043 [0,1,0,0,0,1|2,0,0]=4 1011 B11R1.17 Cc1cnccc1COCF 34a_100011997032_100015361967 [0,1,0,0,0,1|2,0,0]=4 1012 B11R1.17 Cc1cnccc1CSCF 62a_100015361967_100020672808 [0,1,0,0,0,1|2,0,0]=4 1013 B11R1.17 Cc1cnccc1CSCF 62a_100020672808_100015361967 [0,1,0,0,0,1|2,0,0]=4 1014 B11R1.17 Cc1cnccc1NCCO 27a_100000210304_100000765111 [0,1,0,0,0,1|1,0,0]=3 1015 B11R1.17 Cc1cnccc1OCCF 34a_100000694293_100011217306 [0,1,0,0,0,1|2,0,0]=4 1016 B11R1.17 Cc1cnccc1OCCO 34a_100000694293_100000211926 [0,1,0,0,0,1|1,0,0]=3 1017 B11R1.17 Cc1cnccc1SCCF 62a_100000765111_100011217306 [0,1,0,0,0,1|2,0,0]=4 1018 B11R1.17 Cc1cnccc1SCCF 62a_100011217306_100000765111 [0,1,0,0,0,1|2,0,0]=4 1019 B11R1.17 Cc1cnccc1SCCO 62a_100000211926_100000765111 [0,1,0,0,0,1|1,0,0]=3 1020 B11R1.17 Cc1cnccc1SCCO 62a_100000765111_100000211926 [0,1,0,0,0,1|1,0,0]=3 1021 B11R1.17 Cc1cncnc1NCCO 27a_100000210304_100011998708 [0,1,0,0,0,1|1,0,0]=3 1022 B11R1.17 Cc1cncnc1SCCF 62a_100011217306_100011998708 [0,1,0,0,0,1|2,0,0]=4 1023 B11R1.17 Cc1cncnc1SCCF 62a_100011998708_100011217306 [0,1,0,0,0,1|2,0,0]=4 1024 B11R1.17 Cc1cncnc1SCCO 62a_100000211926_100011998708 [0,1,0,0,0,1|1,0,0]=3 1025 B11R1.17 Cc1cncnc1SCCO 62a_100011998708_100000211926 [0,1,0,0,0,1|1,0,0]=3 1026 B11R1.17 Cc1ncccc1COCF 34a_100000729262_100015361967 [0,1,0,0,0,1|2,0,0]=4 1027 B11R1.17 Cc1ncccc1COCF 7a_100000729262_100015361967 [0,1,0,0,0,1|2,0,0]=4 1028 B11R1.17 Cc1ncccc1CSCF 62a_100000732876_100015361967 [0,1,0,0,0,1|2,0,0]=4 1029 B11R1.17 Cc1ncccc1CSCF 62a_100015361967_100000732876 [0,1,0,0,0,1|2,0,0]=4 1030 B11R1.17 Cc1ncccc1OCCF 34a_100000745507_100011217306 [0,1,0,0,0,1|2,0,0]=4 1031 B11R1.17 Cc1ncccc1OCCF 7a_100000745507_100011217306 [0,1,0,0,0,1|2,0,0]=4 1032 B11R1.17 Cc1ncccc1OCCO 34a_100000745507_100000211926 [0,1,0,0,0,1|1,0,0]=3 1033 B11R1.17 Cc1ncccc1OCCO 7a_100000745507_100000211926 [0,1,0,0,0,1|1,0,0]=3 1034 B11R1.17 Cc1ncccc1SCCF 62a_100000751574_100011217306 [0,1,0,0,0,1|2,0,0]=4 1035 B11R1.17 Cc1ncccc1SCCF 62a_100011217306_100000751574 [0,1,0,0,0,1|2,0,0]=4 1036 B11R1.17 Cc1ncccc1SCCO 62a_100000211926_100000751574 [0,1,0,0,0,1|1,0,0]=3 1037 B11R1.17 Cc1ncccc1SCCO 62a_100000751574_100000211926 [0,1,0,0,0,1|1,0,0]=3 1038 B11R1.17 Cc1nccnc1CNCF 34a_100020641712_100015361967 [0,1,0,0,0,1|2,0,0]=4 1039 B11R1.17 Cc1nccnc1NCCO 27a_100000210304_100011999405 [0,1,0,0,0,1|1,0,0]=3 1040 B11R1.17 Cc1nccnc1OCCF 34a_100000766352_100011217306 [0,1,0,0,0,1|2,0,0]=4 1041 B11R1.17 Cc1nccnc1OCCO 34a_100000766352_100000211926 [0,1,0,0,0,1|1,0,0]=3 1042 B11R1.17 Cc1nccnc1SCCF 62a_100011217306_100011999405 [0,1,0,0,0,1|2,0,0]=4 1043 B11R1.17 Cc1nccnc1SCCF 62a_100011999405_100011217306 [0,1,0,0,0,1|2,0,0]=4 1044 B11R1.17 Cc1nccnc1SCCO 62a_100000211926_100011999405 [0,1,0,0,0,1|1,0,0]=3 1045 B11R1.17 Cc1nccnc1SCCO 62a_100011999405_100000211926 [0,1,0,0,0,1|1,0,0]=3 1046 B11R1.17 Cc1ncncc1SCCF 62a_100009819671_100011217306 [0,1,0,0,0,1|2,0,0]=4 1047 B11R1.17 Cc1ncncc1SCCF 62a_100011217306_100009819671 [0,1,0,0,0,1|2,0,0]=4 1048 B11R1.17 Cc1ncncc1SCCO 62a_100000211926_100009819671 [0,1,0,0,0,1|1,0,0]=3 1049 B11R1.17 Cc1ncncc1SCCO 62a_100009819671_100000211926 [0,1,0,0,0,1|1,0,0]=3 1050 B11R1.17 Nc1cnccc1SCCO 62a_100000211926_100000756074 [0,1,0,0,0,1|2,0,0]=4 1051 B11R1.17 Nc1cnccc1SCCO 62a_100000756074_100000211926 [0,1,0,0,0,1|2,0,0]=4 1052 B11R1.17 Nc1cncnc1NCCO 27a_100000210304_100000709731 [0,1,0,0,0,1|2,0,0]=4 1053 B11R1.17 Nc1cncnc1SCCO 62a_100000211926_100000709731 [0,1,0,0,0,1|2,0,0]=4 1054 B11R1.17 Nc1cncnc1SCCO 62a_100000709731_100000211926 [0,1,0,0,0,1|2,0,0]=4 1055 B11R1.17 Nc1ncccc1OCCO 34a_100000211975_100000211926 [0,1,0,0,0,1|2,0,0]=4 1056 B11R1.17 Nc1ncccc1OCCO 7a_100000211975_100000211926 [0,1,0,0,0,1|2,0,0]=4 1057 B11R1.17 Nc1ncccc1SCCO 62a_100000045569_100000211926 [0,1,0,0,0,1|2,0,0]=4 1058 B11R1.17 Nc1ncccc1SCCO 62a_100000211926_100000045569 [0,1,0,0,0,1|2,0,0]=4 1059 B11R1.17 Nc1nccnc1SCCO 62a_100000211926_100000747729 [0,1,0,0,0,1|2,0,0]=4 1060 B11R1.17 Nc1nccnc1SCCO 62a_100000747729_100000211926 [0,1,0,0,0,1|2,0,0]=4 1061 B11R1.17 Nc1ncncc1OCCO 7a_100000112926_100000211926 [0,1,0,0,0,1|2,0,0]=4 1062 B11R1.17 Nc1ncncc1SCCO 62a_100000211926_100011996079 [0,1,0,0,0,1|2,0,0]=4 1063 B11R1.17 Nc1ncncc1SCCO 62a_100011996079_100000211926 [0,1,0,0,0,1|2,0,0]=4 1064 B11R1.17 O=c1[nH]nccc1NCCO 27a_100000210304_100000087129 [0,1,0,0,0,1|2,0,0]=4 1065 B11R1.17 O=c1[nH]nccc1SCCO 62a_100000211926_100000087129 [0,1,0,0,0,1|2,0,0]=4 1066 B11R1.17 OCCNc1ccncc1Br 27a_100000210304_100000726257 [0,1,0,0,0,1|2,0,0]=4 1067 B11R1.17 OCCNc1ccncc1F 27a_100000210304_100000035921 [0,1,0,0,0,1|2,0,0]=4 1068 B11R1.17 OCCNc1nccnc1F 27a_100000210304_200010125657 [0,1,0,0,0,1|2,0,0]=4 1069 B11R1.17 OCCNc1nccnc1O 271570a_203496583355_200011219046 [0,1,0,0,0,1|2,0,0]=4 1070 B11R1.17 OCCNc1ncncc1F 27a_100000210304_100000069762 [0,1,0,0,0,1|2,0,0]=4 1071 B11R1.17 OCCOc1cccnc1Br 34a_100000744436_100000211926 [0,1,0,0,0,1|2,0,0]=4 1072 B11R1.17 OCCOc1cccnc1Br 7a_100000744436_100000211926 [0,1,0,0,0,1|2,0,0]=4 1073 B11R1.17 OCCOc1cccnc1Cl 34a_100000757616_100000211926 [0,1,0,0,0,1|2,0,0]=4 1074 B11R1.17 OCCOc1cccnc1Cl 7a_100000757616_100000211926 [0,1,0,0,0,1|2,0,0]=4 1075 B11R1.17 OCCOc1cccnc1F 34a_100000061740_100000211926 [0,1,0,0,0,1|2,0,0]=4 1076 B11R1.17 OCCOc1cccnc1F 7a_100000061740_100000211926 [0,1,0,0,0,1|2,0,0]=4 1077 B11R1.17 OCCOc1cccnc1I 34a_100000034122_100000211926 [0,1,0,0,0,1|2,0,0]=4 1078 B11R1.17 OCCOc1cccnc1I 7a_100000034122_100000211926 [0,1,0,0,0,1|2,0,0]=4 1079 B11R1.17 OCCOc1ccncc1Br 34a_100011996408_100000211926 [0,1,0,0,0,1|2,0,0]=4 1080 B11R1.17 OCCOc1ccncc1Cl 34a_100011997054_100000211926 [0,1,0,0,0,1|2,0,0]=4 1081 B11R1.17 OCCOc1ccncc1F 34a_200000081243_100000211926 [0,1,0,0,0,1|2,0,0]=4 1082 B11R1.17 OCCSc1cccnc1Br 62a_100000211926_100010202626 [0,1,0,0,0,1|2,0,0]=4 1083 B11R1.17 OCCSc1cccnc1Br 62a_100010202626_100000211926 [0,1,0,0,0,1|2,0,0]=4 1084 B11R1.17 OCCSc1cccnc1Cl 62a_100000036424_100000211926 [0,1,0,0,0,1|2,0,0]=4 1085 B11R1.17 OCCSc1cccnc1Cl 62a_100000211926_100000036424 [0,1,0,0,0,1|2,0,0]=4 1086 B11R1.17 OCCSc1cccnc1F 62a_100000211926_100009816115 [0,1,0,0,0,1|2,0,0]=4 1087 B11R1.17 OCCSc1cccnc1F 62a_100009816115_100000211926 [0,1,0,0,0,1|2,0,0]=4 1088 B11R1.17 OCCSc1cccnc1O 62a_100000211926_100000760158 [0,1,0,0,0,1|2,0,0]=4 1089 B11R1.17 OCCSc1cccnc1O 62a_100000760158_100000211926 [0,1,0,0,0,1|2,0,0]=4 1090 B11R1.17 OCCSc1ccncc1Br 62a_100000211926_100000726257 [0,1,0,0,0,1|2,0,0]=4 1091 B11R1.17 OCCSc1ccncc1Br 62a_100000726257_100000211926 [0,1,0,0,0,1|2,0,0]=4 1092 B11R1.17 OCCSc1ccncc1Cl 62a_100000211926_100000708259 [0,1,0,0,0,1|2,0,0]=4 1093 B11R1.17 OCCSc1ccncc1Cl 62a_100000708259_100000211926 [0,1,0,0,0,1|2,0,0]=4 1094 B11R1.17 OCCSc1ccncc1F 62a_100000047030_100000211926 [0,1,0,0,0,1|2,0,0]=4 1095 B11R1.17 OCCSc1ccncc1F 62a_100000211926_100000047030 [0,1,0,0,0,1|2,0,0]=4 1096 B11R1.17 OCCSc1ccncc1O 62a_100000211926_100009817591 [0,1,0,0,0,1|2,0,0]=4 1097 B11R1.17 OCCSc1ccncc1O 62a_100009817591_100000211926 [0,1,0,0,0,1|2,0,0]=4 1098 B11R1.17 OCCSc1cncnc1Br 62a_100000211926_200012461658 [0,1,0,0,0,1|2,0,0]=4 1099 B11R1.17 OCCSc1cncnc1Br 62a_200012461658_100000211926 [0,1,0,0,0,1|2,0,0]=4 1100 B11R1.17 OCCSc1cncnc1Cl 62a_100000211926_100000758962 [0,1,0,0,0,1|2,0,0]=4 1101 B11R1.17 OCCSc1cncnc1Cl 62a_100000758962_100000211926 [0,1,0,0,0,1|2,0,0]=4 1102 B11R1.17 OCCSc1cncnc1O 62a_100000211926_100000751107 [0,1,0,0,0,1|2,0,0]=4 1103 B11R1.17 OCCSc1cncnc1O 62a_100000751107_100000211926 [0,1,0,0,0,1|2,0,0]=4 1104 B11R1.17 OCCSc1nccnc1Cl 62a_100000211926_100010886584 [0,1,0,0,0,1|2,0,0]=4 1105 B11R1.17 OCCSc1nccnc1Cl 62a_100010886584_100000211926 [0,1,0,0,0,1|2,0,0]=4 1106 B11R1.17 OCCSc1nccnc1F 62a_100000211926_200010125657 [0,1,0,0,0,1|2,0,0]=4 1107 B11R1.17 OCCSc1nccnc1F 62a_200010125657_100000211926 [0,1,0,0,0,1|2,0,0]=4 1108 B11R1.17 OCCSc1ncncc1F 62a_100000069762_100000211926 [0,1,0,0,0,1|2,0,0]=4 1109 B11R1.17 OCCSc1ncncc1F 62a_100000211926_100000069762 [0,1,0,0,0,1|2,0,0]=4 1110 B11R1.41 CCCc1ncncc1NC 27a_100102657272_100009816987 [0,1,0,0,0,1|2,0,0]=4 1111 B11R1.41 CCCc1ncncc1SC 62a_100009816987_200000210301 [0,1,0,0,0,1|2,0,0]=4 1112 B11R1.41 CCCc1ncncc1SC 62a_200000210301_100009816987 [0,1,0,0,0,1|2,0,0]=4 1113 B11R1.41 CCCc1ncncc1S[13CH3] 62a_100009816987_200025704644 [0,1,0,0,0,1|2,0,0]=4 1114 B11R1.41 CCCc1ncncc1S[13CH3] 62a_200025704644_100009816987 [0,1,0,0,0,1|2,0,0]=4 1115 B11R1.41 CNc1ccccc1CCO 2230a_100011215289_200000210301 [0,1,0,0,0,1|2,0,0]=4 1116 B11R1.41 CNc1ccccc1CCO 34a_100011215289_200000210301 [0,1,0,0,0,1|2,0,0]=4 1117 B11R1.41 COc1ccccc1CCO 34a_100000719421_200000210301 [0,1,0,0,0,1|2,0,0]=4 1118 B11R1.41 COc1ccccc1CCO 7a_100000719421_200000210301 [0,1,0,0,0,1|2,0,0]=4 1119 B11R1.41 CSc1ccccc1CCO 62a_100000731337_200000210301 [0,1,0,0,0,1|2,0,0]=4 1120 B11R1.41 CSc1ccccc1CCO 62a_200000210301_100000731337 [0,1,0,0,0,1|2,0,0]=4 1121 B11R1.41 [13CH3]Nc1ccccc1CCO 2230a_100011215289_200025704644 [0,1,0,0,0,1|2,0,0]=4 1122 B11R1.41 [13CH3]Nc1ccccc1CCO 34a_100011215289_200025704644 [0,1,0,0,0,1|2,0,0]=4 1123 B11R1.41 [13CH3]Oc1ccccc1CCO 34a_100000719421_200025704644 [0,1,0,0,0,1|2,0,0]=4 1124 B11R1.41 [13CH3]Oc1ccccc1CCO 7a_100000719421_200025704644 [0,1,0,0,0,1|2,0,0]=4 1125 B11R1.41 [13CH3]Sc1ccccc1CCO 62a_100000731337_200025704644 [0,1,0,0,0,1|2,0,0]=4 1126 B11R1.41 [13CH3]Sc1ccccc1CCO 62a_200025704644_100000731337 [0,1,0,0,0,1|2,0,0]=4 1127 B11R1.24 CCCCc1cc(ncn1)C 271570a_100020621405_100000744208 [0,1,0,0,0,1|2,0,0]=4 1128 B11R1.24 CCCCc1ccnc(c1)C 271570a_100020621405_100000758586 [0,1,0,0,0,1|2,0,0]=4 1129 B11R1.24 CCCCc1ccnc(n1)C 271570a_100020621405_100000749937 [0,1,0,0,0,1|2,0,0]=4 1130 B11R1.24 CCCOc1ccnc(c1)C 34a_100000688365_100000210303 [0,1,0,0,0,1|2,0,0]=4 1131 B11R1.24 CCCSc1cc(ncn1)C 62a_100000210303_100000744208 [0,1,0,0,0,1|2,0,0]=4 1132 B11R1.24 CCCSc1cc(ncn1)C 62a_100000744208_100000210303 [0,1,0,0,0,1|2,0,0]=4 1133 B11R1.24 CCCSc1ccnc(c1)C 62a_100000210303_100000758586 [0,1,0,0,0,1|2,0,0]=4 1134 B11R1.24 CCCSc1ccnc(c1)C 62a_100000758586_100000210303 [0,1,0,0,0,1|2,0,0]=4 1135 B11R1.24 CCCSc1ccnc(n1)C 62a_100000210303_100000749937 [0,1,0,0,0,1|2,0,0]=4 1136 B11R1.24 CCCSc1ccnc(n1)C 62a_100000749937_100000210303 [0,1,0,0,0,1|2,0,0]=4 1137 B11R1.24 CCNCc1ccnc(c1)C 207a_100015525214_100011361630 [0,1,0,0,0,1|2,0,0]=4 1138 B11R1.24 CCNCc1ccnc(c1)C 2230a_100015525214_200020672517 [0,1,0,0,0,1|2,0,0]=4 1139 B11R1.24 CCNCc1ccnc(c1)C 270004a_100015525214_100011361630 [0,1,0,0,0,1|2,0,0]=4 1140 B11R1.24 CCNCc1ccnc(c1)C 34a_100011934566_100000210202 [0,1,0,0,0,1|2,0,0]=4 1141 B11R1.24 CCNCc1ccnc(n1)C 270004a_100015525214_100011361539 [0,1,0,0,0,1|2,0,0]=4 1142 B11R1.24 CCOCc1ccnc(c1)C 34a_100011998630_100000210202 [0,1,0,0,0,1|2,0,0]=4 1143 B11R1.24 CCOCc1ccnc(c1)C 34a_100121572206_200020672517 [0,1,0,0,0,1|2,0,0]=4 1144 B11R1.24 CCSCc1ccnc(c1)C 62a_100000210202_200020672517 [0,1,0,0,0,1|2,0,0]=4 1145 B11R1.24 CCSCc1ccnc(c1)C 62a_200020672517_100000210202 [0,1,0,0,0,1|2,0,0]=4 1146 B11R1.24 COCCc1cccc(c1)C 34a_100011217157_200000210301 [0,1,0,0,0,1|2,0,0]=4 1147 B11R1.24 COCCc1cccc(c1)C 34a_100138415774_100011713685 [0,1,0,0,0,1|2,0,0]=4 1148 B11R1.24 COCCc1cccc(c1)C 7a_100011217157_200000210301 [0,1,0,0,0,1|2,0,0]=4 1149 B11R1.24 COCSc1cc(ncn1)C 62a_100000744208_100000766300 [0,1,0,0,0,1|2,0,0]=4 1150 B11R1.24 COCSc1cc(ncn1)C 62a_100000766300_100000744208 [0,1,0,0,0,1|2,0,0]=4 1151 B11R1.24 COCSc1ccnc(c1)C 62a_100000758586_100000766300 [0,1,0,0,0,1|2,0,0]=4 1152 B11R1.24 COCSc1ccnc(c1)C 62a_100000766300_100000758586 [0,1,0,0,0,1|2,0,0]=4 1153 B11R1.24 COCSc1ccnc(n1)C 62a_100000749937_100000766300 [0,1,0,0,0,1|2,0,0]=4 1154 B11R1.24 COCSc1ccnc(n1)C 62a_100000766300_100000749937 [0,1,0,0,0,1|2,0,0]=4 1155 B11R1.24 Cc1cc(ccn1)CNCF 34a_100011934566_100015361967 [0,1,0,0,0,1|2,0,0]=4 1156 B11R1.24 Cc1cc(ccn1)COCF 34a_100011998630_100015361967 [0,1,0,0,0,1|2,0,0]=4 1157 B11R1.24 Cc1cc(ccn1)CSCF 62a_100015361967_200020672517 [0,1,0,0,0,1|2,0,0]=4 1158 B11R1.24 Cc1cc(ccn1)CSCF 62a_200020672517_100015361967 [0,1,0,0,0,1|2,0,0]=4 1159 B11R1.24 Cc1cc(ccn1)NCCO 27a_100000210304_100000758586 [0,1,0,0,0,1|1,0,0]=3 1160 B11R1.24 Cc1cc(ccn1)OCCF 34a_100000688365_100011217306 [0,1,0,0,0,1|2,0,0]=4 1161 B11R1.24 Cc1cc(ccn1)OCCO 34a_100000688365_100000211926 [0,1,0,0,0,1|1,0,0]=3 1162 B11R1.24 Cc1cc(ccn1)SCCF 62a_100000758586_100011217306 [0,1,0,0,0,1|2,0,0]=4 1163 B11R1.24 Cc1cc(ccn1)SCCF 62a_100011217306_100000758586 [0,1,0,0,0,1|2,0,0]=4 1164 B11R1.24 Cc1cc(ccn1)SCCO 62a_100000211926_100000758586 [0,1,0,0,0,1|1,0,0]=3 1165 B11R1.24 Cc1cc(ccn1)SCCO 62a_100000758586_100000211926 [0,1,0,0,0,1|1,0,0]=3 1166 B11R1.24 Cc1cc(ncn1)NCCO 27a_100000210304_100000744208 [0,1,0,0,0,1|1,0,0]=3 1167 B11R1.24 Cc1cc(ncn1)SCCF 62a_100000744208_100011217306 [0,1,0,0,0,1|2,0,0]=4 1168 B11R1.24 Cc1cc(ncn1)SCCF 62a_100011217306_100000744208 [0,1,0,0,0,1|2,0,0]=4 1169 B11R1.24 Cc1cc(ncn1)SCCO 62a_100000211926_100000744208 [0,1,0,0,0,1|1,0,0]=3 1170 B11R1.24 Cc1cc(ncn1)SCCO 62a_100000744208_100000211926 [0,1,0,0,0,1|1,0,0]=3 1171 B11R1.24 Cc1cccc(c1)CCO[13CH3] 34a_100011217157_200025704644 [0,1,0,0,0,1|2,0,0]=4 1172 B11R1.24 Cc1cccc(c1)CCO[13CH3] 7a_100011217157_200025704644 [0,1,0,0,0,1|2,0,0]=4 1173 B11R1.24 Cc1cccc(c1)NCCO 2230a_100000188690_100000211926 [0,1,0,0,0,1|2,0,0]=4 1174 B11R1.24 Cc1cccc(c1)NCCO 34a_100000188690_100000211926 [0,1,0,0,0,1|2,0,0]=4 1175 B11R1.24 Cc1cccc(c1)OCCO 34a_100000210337_100000211926 [0,1,0,0,0,1|2,0,0]=4 1176 B11R1.24 Cc1cccc(c1)OCCO 7a_100000210337_100000211926 [0,1,0,0,0,1|2,0,0]=4 1177 B11R1.24 Cc1cccc(c1)SCCO 62a_100000211926_100011215228 [0,1,0,0,0,1|2,0,0]=4 1178 B11R1.24 Cc1cccc(c1)SCCO 62a_100011215228_100000211926 [0,1,0,0,0,1|2,0,0]=4 1179 B11R1.24 Cc1cccc(n1)SCCO 62a_100000211926_100000742759 [0,1,0,0,0,1|2,0,0]=4 1180 B11R1.24 Cc1cccc(n1)SCCO 62a_100000742759_100000211926 [0,1,0,0,0,1|2,0,0]=4 1181 B11R1.24 Cc1ccnc(c1)SCCO 62a_100000211926_100000750283 [0,1,0,0,0,1|2,0,0]=4 1182 B11R1.24 Cc1ccnc(c1)SCCO 62a_100000750283_100000211926 [0,1,0,0,0,1|2,0,0]=4 1183 B11R1.24 Cc1ccnc(n1)NCCO 27a_100000210304_100000750684 [0,1,0,0,0,1|2,0,0]=4 1184 B11R1.24 Cc1ccnc(n1)SCCO 62a_100000211926_100011243806 [0,1,0,0,0,1|2,0,0]=4 1185 B11R1.24 Cc1ccnc(n1)SCCO 62a_100011243806_100000211926 [0,1,0,0,0,1|2,0,0]=4 1186 B11R1.24 Cc1nccc(n1)NCCO 27a_100000210304_100000749937 [0,1,0,0,0,1|1,0,0]=3 1187 B11R1.24 Cc1nccc(n1)SCCF 62a_100000749937_100011217306 [0,1,0,0,0,1|2,0,0]=4 1188 B11R1.24 Cc1nccc(n1)SCCF 62a_100011217306_100000749937 [0,1,0,0,0,1|2,0,0]=4 1189 B11R1.24 Cc1nccc(n1)SCCO 62a_100000211926_100000749937 [0,1,0,0,0,1|1,0,0]=3 1190 B11R1.24 Cc1nccc(n1)SCCO 62a_100000749937_100000211926 [0,1,0,0,0,1|1,0,0]=3 1191 B11R1.24 Nc1cc(ccn1)OCCO 34a_100011834064_100000211926 [0,1,0,0,0,1|2,0,0]=4 1192 B11R1.24 Nc1cc(ccn1)SCCO 62a_100000049665_100000211926 [0,1,0,0,0,1|2,0,0]=4 1193 B11R1.24 Nc1cc(ccn1)SCCO 62a_100000211926_100000049665 [0,1,0,0,0,1|2,0,0]=4 1194 B11R1.24 Nc1cc(ncn1)NCCO 27a_100000210304_100000701291 [0,1,0,0,0,1|2,0,0]=4 1195 B11R1.24 Nc1cc(ncn1)SCCO 62a_100000211926_100000701291 [0,1,0,0,0,1|2,0,0]=4 1196 B11R1.24 Nc1cc(ncn1)SCCO 62a_100000701291_100000211926 [0,1,0,0,0,1|2,0,0]=4 1197 B11R1.24 Nc1nccc(n1)NCCO 27a_100000210304_100000055538 [0,1,0,0,0,1|2,0,0]=4 1198 B11R1.24 Nc1nccc(n1)SCCO 62a_100000055538_100000211926 [0,1,0,0,0,1|2,0,0]=4 1199 B11R1.24 Nc1nccc(n1)SCCO 62a_100000211926_100000055538 [0,1,0,0,0,1|2,0,0]=4 1200 B11R1.24 Nc1ncnc(n1)NCCO 27a_100000210304_100000123831 [0,1,0,0,0,1|2,0,0]=4 1201 B11R1.24 Nc1ncnc(n1)SCCO 62a_100000123831_100000211926 [0,1,0,0,0,1|2,0,0]=4 1202 B11R1.24 Nc1ncnc(n1)SCCO 62a_100000211926_100000123831 [0,1,0,0,0,1|2,0,0]=4 1203 B11R1.24 OCCNc1cc(ncn1)F 27a_100000210304_200009880791 [0,1,0,0,0,1|2,0,0]=4 1204 B11R1.24 OCCNc1cc(ncn1)O 271570a_203496583355_200011443279 [0,1,0,0,0,1|2,0,0]=4 1205 B11R1.24 OCCNc1cc(ncn1)O 27a_100000210304_100000765262 [0,1,0,0,0,1|2,0,0]=4 1206 B11R1.24 OCCNc1ccnc(c1)F 27a_100000210304_100009816116 [0,1,0,0,0,1|2,0,0]=4 1207 B11R1.24 OCCOc1ccnc(c1)Cl 34a_100000762945_100000211926 [0,1,0,0,0,1|2,0,0]=4 1208 B11R1.24 OCCOc1ccnc(c1)F 34a_100000732698_100000211926 [0,1,0,0,0,1|2,0,0]=4 1209 B11R1.24 OCCSc1cc(ncn1)Cl 62a_100000211926_100010161198 [0,1,0,0,0,1|2,0,0]=4 1210 B11R1.24 OCCSc1cc(ncn1)Cl 62a_100010161198_100000211926 [0,1,0,0,0,1|2,0,0]=4 1211 B11R1.24 OCCSc1cc(ncn1)F 62a_100000211926_200009880791 [0,1,0,0,0,1|2,0,0]=4 1212 B11R1.24 OCCSc1cc(ncn1)F 62a_200009880791_100000211926 [0,1,0,0,0,1|2,0,0]=4 1213 B11R1.24 OCCSc1cc(ncn1)O 62a_100000211926_100000765262 [0,1,0,0,0,1|2,0,0]=4 1214 B11R1.24 OCCSc1ccnc(c1)Br 62a_100000211926_100009814637 [0,1,0,0,0,1|2,0,0]=4 1215 B11R1.24 OCCSc1ccnc(c1)Br 62a_100009814637_100000211926 [0,1,0,0,0,1|2,0,0]=4 1216 B11R1.24 OCCSc1ccnc(c1)Cl 62a_100000035001_100000211926 [0,1,0,0,0,1|2,0,0]=4 1217 B11R1.24 OCCSc1ccnc(c1)Cl 62a_100000211926_100000035001 [0,1,0,0,0,1|2,0,0]=4 1218 B11R1.24 OCCSc1ccnc(c1)F 62a_100000211926_100009816116 [0,1,0,0,0,1|2,0,0]=4 1219 B11R1.24 OCCSc1ccnc(c1)F 62a_100009816116_100000211926 [0,1,0,0,0,1|2,0,0]=4 1220 B11R1.24 OCCSc1ccnc(n1)Cl 62a_100000211926_100010154678 [0,1,0,0,0,1|2,0,0]=4 1221 B11R1.24 OCCSc1ccnc(n1)Cl 62a_100010154678_100000211926 [0,1,0,0,0,1|2,0,0]=4 1222 B11R1.189 CNc1cccc(c1)CCO 2230a_100011996697_200000210301 [0,1,0,0,0,1|2,0,0]=4 1223 B11R1.189 CNc1cccc(c1)CCO 34a_100011996697_200000210301 [0,1,0,0,0,1|2,0,0]=4 1224 B11R1.189 COc1cccc(c1)CCO 34a_100011215281_200000210301 [0,1,0,0,0,1|2,0,0]=4 1225 B11R1.189 COc1cccc(c1)CCO 7a_100011215281_200000210301 [0,1,0,0,0,1|2,0,0]=4 1226 B11R1.189 CSc1cccc(c1)CCO 62a_100011217444_200000210301 [0,1,0,0,0,1|2,0,0]=4 1227 B11R1.189 CSc1cccc(c1)CCO 62a_200000210301_100011217444 [0,1,0,0,0,1|2,0,0]=4 1228 B11R1.189 CSc1cccc(n1)CCO 62a_100010221043_200000210301 [0,1,0,0,0,1|2,0,0]=4 1229 B11R1.189 CSc1cccc(n1)CCO 62a_200000210301_100010221043 [0,1,0,0,0,1|2,0,0]=4 1230 B11R1.189 [13CH3]Nc1cccc(c1)CCO 2230a_100011996697_200025704644 [0,1,0,0,0,1|2,0,0]=4 1231 B11R1.189 [13CH3]Nc1cccc(c1)CCO 34a_100011996697_200025704644 [0,1,0,0,0,1|2,0,0]=4 1232 B11R1.189 [13CH3]Oc1cccc(c1)CCO 34a_100011215281_200025704644 [0,1,0,0,0,1|2,0,0]=4 1233 B11R1.189 [13CH3]Oc1cccc(c1)CCO 7a_100011215281_200025704644 [0,1,0,0,0,1|2,0,0]=4 1234 B11R1.189 [13CH3]Sc1cccc(c1)CCO 62a_100011217444_200025704644 [0,1,0,0,0,1|2,0,0]=4 1235 B11R1.189 [13CH3]Sc1cccc(c1)CCO 62a_200025704644_100011217444 [0,1,0,0,0,1|2,0,0]=4 1236 B11R1.189 [13CH3]Sc1cccc(n1)CCO 62a_100010221043_200025704644 [0,1,0,0,0,1|2,0,0]=4 1237 B11R1.189 [13CH3]Sc1cccc(n1)CCO 62a_200025704644_100010221043 [0,1,0,0,0,1|2,0,0]=4 1238 B11R1.18 CCCCc1sccc1CC 271570a_100020621405_200009875468 [0,2,0,0,0,0|2,0,0]=4 1239 B11R1.18 CCCCc1sccc1CN 271570a_100020621405_100000727803 [0,2,0,0,0,0|2,0,0]=4 1240 B11R1.18 CCCCc1sccc1CO 271570a_100020621405_100009816922 [0,2,0,0,0,0|2,0,0]=4 1241 B11R1.18 CCCSc1sccc1CC 62a_100000210303_200009875468 [0,2,0,0,0,0|2,0,0]=4 1242 B11R1.18 CCCSc1sccc1CC 62a_200009875468_100000210303 [0,2,0,0,0,0|2,0,0]=4 1243 B11R1.18 CCCSc1sccc1CN 62a_100000210303_100000727803 [0,2,0,0,0,0|2,0,0]=4 1244 B11R1.18 CCCSc1sccc1CN 62a_100000727803_100000210303 [0,2,0,0,0,0|2,0,0]=4 1245 B11R1.18 CCCSc1sccc1CO 62a_100000210303_100009816922 [0,2,0,0,0,0|2,0,0]=4 1246 B11R1.18 CCCSc1sccc1CO 62a_100009816922_100000210303 [0,2,0,0,0,0|2,0,0]=4 1247 B11R1.18 CCNCc1sccc1OC 207a_100015525214_100000689126 [0,2,0,0,0,0|2,0,0]=4 1248 B11R1.18 CCNCc1sccc1OC 270004a_100015525214_100000689126 [0,2,0,0,0,0|2,0,0]=4 1249 B11R1.18 CCc1ccsc1SCCF 62a_100011217306_200009875468 [0,2,0,0,0,0|2,0,0]=4 1250 B11R1.18 CCc1ccsc1SCCF 62a_200009875468_100011217306 [0,2,0,0,0,0|2,0,0]=4 1251 B11R1.18 CCc1ccsc1SCCO 62a_100000211926_200009875468 [0,2,0,0,0,0|1,0,0]=3 1252 B11R1.18 CCc1ccsc1SCCO 62a_200009875468_100000211926 [0,2,0,0,0,0|1,0,0]=3 1253 B11R1.18 CCc1ccsc1SCOC 62a_100000766300_200009875468 [0,2,0,0,0,0|2,0,0]=4 1254 B11R1.18 CCc1ccsc1SCOC 62a_200009875468_100000766300 [0,2,0,0,0,0|2,0,0]=4 1255 B11R1.18 CCc1nccn1CCOC 34a_100138415774_100015185934 [0,2,0,0,0,0|2,0,0]=4 1256 B11R1.18 CCn1nccc1OCCO 34a_100012181048_100000211926 [0,2,0,0,0,0|2,0,0]=4 1257 B11R1.18 CCn1nccc1SCCO 62a_100000211926_100000728327 [0,2,0,0,0,0|2,0,0]=4 1258 B11R1.18 CCn1nccc1SCCO 62a_100000728327_100000211926 [0,2,0,0,0,0|2,0,0]=4 1259 B11R1.18 CCn1ncnc1NCCO 27a_100000210304_100009879425 [0,2,0,0,0,0|2,0,0]=4 1260 B11R1.18 CCn1ncnc1SCCO 62a_100000211926_100009879425 [0,2,0,0,0,0|2,0,0]=4 1261 B11R1.18 CCn1ncnc1SCCO 62a_100009879425_100000211926 [0,2,0,0,0,0|2,0,0]=4 1262 B11R1.18 COCSc1sccc1CN 62a_100000727803_100000766300 [0,2,0,0,0,0|2,0,0]=4 1263 B11R1.18 COCSc1sccc1CN 62a_100000766300_100000727803 [0,2,0,0,0,0|2,0,0]=4 1264 B11R1.18 COCSc1sccc1CO 62a_100000766300_100009816922 [0,2,0,0,0,0|2,0,0]=4 1265 B11R1.18 COCSc1sccc1CO 62a_100009816922_100000766300 [0,2,0,0,0,0|2,0,0]=4 1266 B11R1.18 COc1n[nH]cc1SCCO 62a_100000211926_100010982843 [0,2,0,0,0,0|2,0,0]=4 1267 B11R1.18 CSc1sccc1SCCO 62a_100000211926_200010341309 [0,2,0,0,0,0|2,0,0]=4 1268 B11R1.18 CSc1sccc1SCCO 62a_200010341309_100000211926 [0,2,0,0,0,0|2,0,0]=4 1269 B11R1.18 N#Cc1ccsc1NCCO 27a_100000210304_100009817073 [0,2,0,0,0,0|1,0,1]=4 1270 B11R1.18 N#Cc1ccsc1SCCO 62a_100000211926_100009817073 [0,2,0,0,0,0|1,0,1]=4 1271 B11R1.18 NCc1ccsc1SCCF 62a_100000727803_100011217306 [0,2,0,0,0,0|2,0,0]=4 1272 B11R1.18 NCc1ccsc1SCCF 62a_100011217306_100000727803 [0,2,0,0,0,0|2,0,0]=4 1273 B11R1.18 NCc1ccsc1SCCO 62a_100000211926_100000727803 [0,2,0,0,0,0|1,0,0]=3 1274 B11R1.18 NCc1ccsc1SCCO 62a_100000727803_100000211926 [0,2,0,0,0,0|1,0,0]=3 1275 B11R1.18 O=Cc1ccsc1SCCO 62a_100000211926_100009816921 [0,2,0,0,0,0|1,0,1]=4 1276 B11R1.18 O=Cc1ccsc1SCCO 62a_100009816921_100000211926 [0,2,0,0,0,0|1,0,1]=4 1277 B11R1.18 O=Cc1nc[nH]c1SCCO 62a_100000211926_100015192532 [0,2,0,0,0,0|1,0,1]=4 1278 B11R1.18 O=Cc1nc[nH]c1SCCO 62a_100015192532_100000211926 [0,2,0,0,0,0|1,0,1]=4 1279 B11R1.18 OCCSc1ccsc1CO 62a_100000211926_100000702026 [0,2,0,0,0,0|2,0,0]=4 1280 B11R1.18 OCCSc1ccsc1CO 62a_100000702026_100000211926 [0,2,0,0,0,0|2,0,0]=4 1281 B11R1.18 OCCSc1ncsc1CO 62a_100000211926_100012000948 [0,2,0,0,0,0|2,0,0]=4 1282 B11R1.18 OCCSc1ncsc1CO 62a_100012000948_100000211926 [0,2,0,0,0,0|2,0,0]=4 1283 B11R1.18 OCCSc1sccc1CO 62a_100000211926_100009816922 [0,2,0,0,0,0|1,0,0]=3 1284 B11R1.18 OCCSc1sccc1CO 62a_100009816922_100000211926 [0,2,0,0,0,0|1,0,0]=3 1285 B11R1.18 OCc1ccsc1SCCF 62a_100009816922_100011217306 [0,2,0,0,0,0|2,0,0]=4 1286 B11R1.18 OCc1ccsc1SCCF 62a_100011217306_100009816922 [0,2,0,0,0,0|2,0,0]=4 1287 B11R1.183 CCSc1sc(nc1CO)C 62a_100000210202_100011103066 [0,2,0,0,0,0|2,0,0]=4 1288 B11R1.183 CCSc1sc(nc1CO)C 62a_100011103066_100000210202 [0,2,0,0,0,0|2,0,0]=4 1289 B11R1.183 CCc1nc(sc1COC)C 7a_200000117834_200000210301 [0,2,0,0,0,0|2,0,0]=4 1290 B11R1.183 CCc1nc(sc1CO[13CH3])C 7a_200000117834_200025704644 [0,2,0,0,0,0|2,0,0]=4 1291 B11R1.183 Cc1nc(c(s1)SCF)CO 62a_100011103066_100015361967 [0,2,0,0,0,0|2,0,0]=4 1292 B11R1.183 Cc1nc(c(s1)SCF)CO 62a_100015361967_100011103066 [0,2,0,0,0,0|2,0,0]=4 1293 B11R1.90 C=C(C)CSc1scnc1C 62a_100000748629_100009817116 [0,2,0,0,0,0|1,0,1]=4 1294 B11R1.90 C=C(C)CSc1scnc1C 62a_100009817116_100000211660 [0,2,0,0,0,0|1,0,1]=4 1295 B11R1.90 C=C(F)CSc1scnc1C 62a_100000042424_100009817116 [0,2,0,0,0,0|1,0,1]=4 1296 B11R1.90 C=C(F)CSc1scnc1C 62a_100009817116_100000042424 [0,2,0,0,0,0|1,0,1]=4 1297 B11R1.90 CC(=O)CCc1scnc1C 1458a_100000070787_100000057103 [0,2,0,0,0,0|0,0,1]=3 1298 B11R1.90 CC(=O)CCc1scnc1C 1458a_100011934404_200000210301 [0,2,0,0,0,0|0,0,1]=3 1299 B11R1.90 CC(=O)NCc1scnc1C 11a_100000752186_100015343762 [0,2,0,0,0,0|0,0,2]=4 1300 B11R1.90 CC(=O)NCc1scnc1C 1626a_100000752186_100015343762 [0,2,0,0,0,0|0,0,2]=4 1301 B11R1.90 CC(=O)NCc1scnc1C 240690a_100000752186_100015343762 [0,2,0,0,0,0|0,0,2]=4 1302 B11R1.90 CC(=O)NCc1scnc1C 527a_100000752186_100103153847 [0,2,0,0,0,0|0,0,2]=4 1303 B11R1.90 CC(C)OCc1scnc1Br 7a_100012000948_100000210206 [0,2,0,0,0,0|2,0,0]=4 1304 B11R1.90 CC(O)CNc1ncnn1C 27a_100000210904_100000732653 [0,2,0,0,0,0|2,0,0]=4 1305 B11R1.90 CC(O)COc1ccnn1C 34a_100020632926_100011218427 [0,2,0,0,0,0|2,0,0]=4 1306 B11R1.90 CC(O)CSc1[nH]cnc1Cl 62a_100010200774_100011218427 [0,2,0,0,0,0|2,0,0]=4 1307 B11R1.90 CC(O)CSc1[nH]cnc1Cl 62a_100011218427_100010200774 [0,2,0,0,0,0|2,0,0]=4 1308 B11R1.90 CC(O)CSc1ccnn1C 62a_100000688441_100011218427 [0,2,0,0,0,0|2,0,0]=4 1309 B11R1.90 CC(O)CSc1ccnn1C 62a_100011218427_100000688441 [0,2,0,0,0,0|2,0,0]=4 1310 B11R1.90 CC(O)CSc1ncnn1C 62a_100000732653_100011218427 [0,2,0,0,0,0|2,0,0]=4 1311 B11R1.90 CC(O)CSc1ncnn1C 62a_100011218427_100000732653 [0,2,0,0,0,0|2,0,0]=4 1312 B11R1.90 CC(O)CSc1sccc1Br 62a_100011218427_100012361411 [0,2,0,0,0,0|2,0,0]=4 1313 B11R1.90 CC(O)CSc1sccc1Br 62a_100012361411_100011218427 [0,2,0,0,0,0|2,0,0]=4 1314 B11R1.90 C[C@@H](O)COc1ccnn1C 34a_100020632926_100009817552 [0,2,0,0,0,0|2,0,0]=4 1315 B11R1.90 C[C@@H](O)CSc1[nH]cnc1Cl 62a_100009817552_100010200774 [0,2,0,0,0,0|2,0,0]=4 1316 B11R1.90 C[C@@H](O)CSc1[nH]cnc1Cl 62a_100010200774_100009817552 [0,2,0,0,0,0|2,0,0]=4 1317 B11R1.90 C[C@@H](O)CSc1ccnn1C 62a_100000688441_100009817552 [0,2,0,0,0,0|2,0,0]=4 1318 B11R1.90 C[C@@H](O)CSc1ccnn1C 62a_100009817552_100000688441 [0,2,0,0,0,0|2,0,0]=4 1319 B11R1.90 C[C@@H](O)CSc1ncnn1C 62a_100000732653_100009817552 [0,2,0,0,0,0|2,0,0]=4 1320 B11R1.90 C[C@@H](O)CSc1ncnn1C 62a_100009817552_100000732653 [0,2,0,0,0,0|2,0,0]=4 1321 B11R1.90 C[C@@H](O)CSc1sccc1Br 62a_100009817552_100012361411 [0,2,0,0,0,0|2,0,0]=4 1322 B11R1.90 C[C@@H](O)CSc1sccc1Br 62a_100012361411_100009817552 [0,2,0,0,0,0|2,0,0]=4 1323 B11R1.90 Cc1[nH]cnc1SCC(C)O 62a_100010186451_100011218427 [0,2,0,0,0,0|1,0,1]=4 1324 B11R1.90 Cc1[nH]cnc1SCC(C)O 62a_100011218427_100010186451 [0,2,0,0,0,0|1,0,1]=4 1325 B11R1.90 Cc1[nH]cnc1SC[C@@H](C)O 62a_100009817552_100010186451 [0,2,0,0,0,0|1,0,1]=4 1326 B11R1.90 Cc1[nH]cnc1SC[C@@H](C)O 62a_100010186451_100009817552 [0,2,0,0,0,0|1,0,1]=4 1327 B11R1.90 Cc1ccsc1C=CC(C)O 271570a_200011019289_100000742657 [0,2,0,0,0,0|1,0,1]=4 1328 B11R1.90 Cc1ccsc1CNC(C)C 207a_100138425928_100000210881 [0,2,0,0,0,0|2,0,0]=4 1329 B11R1.90 Cc1ccsc1CNC(C)C 2230a_100000238519_100000210206 [0,2,0,0,0,0|2,0,0]=4 1330 B11R1.90 Cc1ccsc1CNC(C)C 34a_100000238519_100000210206 [0,2,0,0,0,0|2,0,0]=4 1331 B11R1.90 Cc1ccsc1COC(C)C 34a_100000238368_100000210206 [0,2,0,0,0,0|2,0,0]=4 1332 B11R1.90 Cc1ccsc1COC(C)C 7a_100000238368_100000210206 [0,2,0,0,0,0|2,0,0]=4 1333 B11R1.90 Cc1ccsc1SCC(C)C 62a_100000210624_100010247149 [0,2,0,0,0,0|2,0,0]=4 1334 B11R1.90 Cc1ccsc1SCC(C)C 62a_100010247149_100000210760 [0,2,0,0,0,0|2,0,0]=4 1335 B11R1.90 Cc1ccsc1SCC(C)O 62a_100010247149_100011218427 [0,2,0,0,0,0|1,0,0]=3 1336 B11R1.90 Cc1ccsc1SCC(C)O 62a_100011218427_100010247149 [0,2,0,0,0,0|1,0,0]=3 1337 B11R1.90 Cc1ccsc1SCC(F)F 62a_100010247149_100011934356 [0,2,0,0,0,0|2,0,0]=4 1338 B11R1.90 Cc1ccsc1SCC(F)F 62a_100011934356_100010247149 [0,2,0,0,0,0|2,0,0]=4 1339 B11R1.90 Cc1ccsc1SC[C@@H](C)O 62a_100009817552_100010247149 [0,2,0,0,0,0|1,0,0]=3 1340 B11R1.90 Cc1ccsc1SC[C@@H](C)O 62a_100010247149_100009817552 [0,2,0,0,0,0|1,0,0]=3 1341 B11R1.90 Cc1n[nH]cc1SCC(C)O 62a_100000692133_100011218427 [0,2,0,0,0,0|2,0,0]=4 1342 B11R1.90 Cc1n[nH]cc1SCC(C)O 62a_100011218427_100000692133 [0,2,0,0,0,0|2,0,0]=4 1343 B11R1.90 Cc1n[nH]cc1SC[C@@H](C)O 62a_100000692133_100009817552 [0,2,0,0,0,0|2,0,0]=4 1344 B11R1.90 Cc1n[nH]cc1SC[C@@H](C)O 62a_100009817552_100000692133 [0,2,0,0,0,0|2,0,0]=4 1345 B11R1.90 Cc1ncoc1COC(C)C 34a_100000717716_100000210206 [0,2,0,0,0,0|1,1,0]=4 1346 B11R1.90 Cc1ncoc1COC(C)C 7a_100000717716_100000210206 [0,2,0,0,0,0|1,1,0]=4 1347 B11R1.90 Cc1ncsc1C=CC(C)C 271570a_100016257149_100009817116 [0,2,0,0,0,0|1,0,1]=4 1348 B11R1.90 Cc1ncsc1C=CC(C)O 271570a_200011019289_100009817116 [0,2,0,0,0,0|0,0,1]=3 1349 B11R1.90 Cc1ncsc1CCC(=O)[13CH3] 1458a_100011934404_200025704644 [0,2,0,0,0,0|0,0,1]=3 1350 B11R1.90 Cc1ncsc1CCN(C)C 2230a_100025748334_200000210301 [0,2,0,0,0,0|1,0,0]=3 1351 B11R1.90 Cc1ncsc1CCN(C)C 2230a_100102631434_100000057103 [0,2,0,0,0,0|1,0,0]=3 1352 B11R1.90 Cc1ncsc1CCN(C)C 269982a_100025748334_200000210301 [0,2,0,0,0,0|1,0,0]=3 1353 B11R1.90 Cc1ncsc1CCN(C)C 269982a_100102631434_100000057103 [0,2,0,0,0,0|1,0,0]=3 1354 B11R1.90 Cc1ncsc1CCN(C)[13CH3] 2230a_100025748334_200025704644 [0,2,0,0,0,0|1,0,0]=3 1355 B11R1.90 Cc1ncsc1CCN(C)[13CH3] 269982a_100025748334_200025704644 [0,2,0,0,0,0|1,0,0]=3 1356 B11R1.90 Cc1ncsc1CNC(C)C 207a_100138425928_100000764165 [0,2,0,0,0,0|1,0,0]=3 1357 B11R1.90 Cc1ncsc1CNC(C)C 2230a_100000752186_100000210206 [0,2,0,0,0,0|1,0,0]=3 1358 B11R1.90 Cc1ncsc1COC(C)C 34a_100000750112_100000210206 [0,2,0,0,0,0|1,0,0]=3 1359 B11R1.90 Cc1ncsc1COC(C)C 7a_100000750112_100000210206 [0,2,0,0,0,0|1,0,0]=3 1360 B11R1.90 Cc1ncsc1SCC(=O)N 62a_100000747473_100009817116 [0,2,0,0,0,0|0,0,2]=4 1361 B11R1.90 Cc1ncsc1SCC(=O)N 62a_100009817116_100000747473 [0,2,0,0,0,0|0,0,2]=4 1362 B11R1.90 Cc1ncsc1SCC(=O)[O-] 62a_100009817116_100020667443 [0,2,0,0,0,0|0,0,2]=4 1363 B11R1.90 Cc1ncsc1SCC(=O)[O-] 62a_100020667443_100009817116 [0,2,0,0,0,0|0,0,2]=4 1364 B11R1.90 Cc1ncsc1SCC(C)C 62a_100000210624_100009817116 [0,2,0,0,0,0|1,0,0]=3 1365 B11R1.90 Cc1ncsc1SCC(C)C 62a_100009817116_100000210760 [0,2,0,0,0,0|1,0,0]=3 1366 B11R1.90 Cc1ncsc1SCC(C)O 62a_100009817116_100011218427 [0,2,0,0,0,0|0,0,0]=2 1367 B11R1.90 Cc1ncsc1SCC(C)O 62a_100011218427_100009817116 [0,2,0,0,0,0|0,0,0]=2 1368 B11R1.90 Cc1ncsc1SCC(F)F 62a_100009817116_100011934356 [0,2,0,0,0,0|1,0,0]=3 1369 B11R1.90 Cc1ncsc1SCC(F)F 62a_100011934356_100009817116 [0,2,0,0,0,0|1,0,0]=3 1370 B11R1.90 Cc1ncsc1SC[C@@H](C)O 62a_100009817116_100009817552 [0,2,0,0,0,0|0,0,0]=2 1371 B11R1.90 Cc1ncsc1SC[C@@H](C)O 62a_100009817552_100009817116 [0,2,0,0,0,0|0,0,0]=2 1372 B11R1.90 Cc1ncsc1SC[N+](=O)[O-] 62a_100009817116_100000761209 [0,2,0,0,0,0|1,0,1]=4 1373 B11R1.90 Cc1nnsc1CNC(C)C 2230a_100000732738_100000210206 [0,2,0,0,0,0|2,0,0]=4 1374 B11R1.90 Cc1nnsc1CNC(C)C 2230a_100138425928_100000732739 [0,2,0,0,0,0|2,0,0]=4 1375 B11R1.90 Cc1nnsc1CNC(C)C 34a_100138425928_100000732739 [0,2,0,0,0,0|2,0,0]=4 1376 B11R1.90 Cc1nnsc1COC(C)C 34a_100000212225_100000732739 [0,2,0,0,0,0|2,0,0]=4 1377 B11R1.90 Cc1nnsc1CSC(C)C 62a_100000210206_100000732739 [0,2,0,0,0,0|2,0,0]=4 1378 B11R1.90 Cc1nnsc1CSC(C)C 62a_100000732739_100000210206 [0,2,0,0,0,0|2,0,0]=4 1379 B11R1.90 Cc1sccc1SCC(C)O 62a_100000684487_100011218427 [0,2,0,0,0,0|2,0,0]=4 1380 B11R1.90 Cc1sccc1SCC(C)O 62a_100011218427_100000684487 [0,2,0,0,0,0|2,0,0]=4 1381 B11R1.90 Cc1sccc1SC[C@@H](C)O 62a_100000684487_100009817552 [0,2,0,0,0,0|2,0,0]=4 1382 B11R1.90 Cc1sccc1SC[C@@H](C)O 62a_100009817552_100000684487 [0,2,0,0,0,0|2,0,0]=4 1383 B11R1.90 Cc1scnc1SCC(C)O 62a_100000732656_100011218427 [0,2,0,0,0,0|2,0,0]=4 1384 B11R1.90 Cc1scnc1SCC(C)O 62a_100011218427_100000732656 [0,2,0,0,0,0|2,0,0]=4 1385 B11R1.90 Cc1scnc1SC[C@@H](C)O 62a_100000732656_100009817552 [0,2,0,0,0,0|2,0,0]=4 1386 B11R1.90 Cc1scnc1SC[C@@H](C)O 62a_100009817552_100000732656 [0,2,0,0,0,0|2,0,0]=4 1387 B11R1.180 C#CCCSc1sccc1C 62a_100000688953_100010247149 [0,2,0,0,0,0|2,0,0]=4 1388 B11R1.180 C#CCCSc1sccc1C 62a_100010247149_100000688953 [0,2,0,0,0,0|2,0,0]=4 1389 B11R1.180 C#CCCSc1scnc1C 62a_100000688953_100009817116 [0,2,0,0,0,0|1,0,0]=3 1390 B11R1.180 C#CCCSc1scnc1C 62a_100009817116_100000688953 [0,2,0,0,0,0|1,0,0]=3 1391 B11R1.180 C#CCNCc1sccc1C 2230a_100000238519_100000038162 [0,2,0,0,0,0|2,0,0]=4 1392 B11R1.180 C#CCNCc1sccc1C 34a_100000238519_100000184674 [0,2,0,0,0,0|2,0,0]=4 1393 B11R1.180 C#CCNCc1scnc1C 2230a_100000752186_100000038162 [0,2,0,0,0,0|1,0,0]=3 1394 B11R1.180 C#CCNCc1snnc1C 2230a_100000732738_100000038162 [0,2,0,0,0,0|2,0,0]=4 1395 B11R1.180 C#CCNCc1snnc1C 34a_100000212058_100000732739 [0,2,0,0,0,0|2,0,0]=4 1396 B11R1.180 C#CCOCc1ocnc1C 34a_100000717716_100000184674 [0,2,0,0,0,0|1,1,0]=4 1397 B11R1.180 C#CCOCc1ocnc1C 7a_100000717716_100000038162 [0,2,0,0,0,0|1,1,0]=4 1398 B11R1.180 C#CCOCc1sccc1C 34a_100000238368_100000184674 [0,2,0,0,0,0|2,0,0]=4 1399 B11R1.180 C#CCOCc1sccc1C 7a_100000238368_100000038162 [0,2,0,0,0,0|2,0,0]=4 1400 B11R1.180 C#CCOCc1scnc1Br 7a_100012000948_100000038162 [0,2,0,0,0,0|2,0,0]=4 1401 B11R1.180 C#CCOCc1scnc1C 34a_100000750112_100000184674 [0,2,0,0,0,0|1,0,0]=3 1402 B11R1.180 C#CCOCc1scnc1C 7a_100000750112_100000038162 [0,2,0,0,0,0|1,0,0]=3 1403 B11R1.180 C#CCOCc1snnc1C 34a_100000210247_100000732739 [0,2,0,0,0,0|2,0,0]=4 1404 B11R1.180 C#CCSCc1snnc1C 62a_100000038162_100000732739 [0,2,0,0,0,0|2,0,0]=4 1405 B11R1.180 C/C=C/CSc1scnc1C 62a_100009817116_100102629194 [0,2,0,0,0,0|1,0,1]=4 1406 B11R1.180 C/C=C/CSc1scnc1C 62a_100102629194_100009817116 [0,2,0,0,0,0|1,0,1]=4 1407 B11R1.180 C=CCCSc1sccc1C 62a_100000754431_100010247149 [0,2,0,0,0,0|2,0,0]=4 1408 B11R1.180 C=CCCSc1sccc1C 62a_100010247149_100000754431 [0,2,0,0,0,0|2,0,0]=4 1409 B11R1.180 C=CCCSc1scnc1C 62a_100000754431_100009817116 [0,2,0,0,0,0|1,0,0]=3 1410 B11R1.180 C=CCCSc1scnc1C 62a_100009817116_100000754431 [0,2,0,0,0,0|1,0,0]=3 1411 B11R1.180 C=CCNCc1sccc1C 2230a_100000238519_100000210623 [0,2,0,0,0,0|2,0,0]=4 1412 B11R1.180 C=CCNCc1sccc1C 270004a_100020586998_100000210881 [0,2,0,0,0,0|2,0,0]=4 1413 B11R1.180 C=CCNCc1sccc1C 34a_100000238519_100015514636 [0,2,0,0,0,0|2,0,0]=4 1414 B11R1.180 C=CCNCc1scnc1C 2230a_100000752186_100000210623 [0,2,0,0,0,0|1,0,0]=3 1415 B11R1.180 C=CCNCc1snnc1C 2230a_100000732738_100000210623 [0,2,0,0,0,0|2,0,0]=4 1416 B11R1.180 C=CCNCc1snnc1C 2230a_100020586998_100000732739 [0,2,0,0,0,0|2,0,0]=4 1417 B11R1.180 C=CCNCc1snnc1C 270004a_100020586998_100000732746 [0,2,0,0,0,0|2,0,0]=4 1418 B11R1.180 C=CCOCc1ocnc1C 34a_100000717716_100015514636 [0,2,0,0,0,0|1,1,0]=4 1419 B11R1.180 C=CCOCc1ocnc1C 7a_100000717716_100015514636 [0,2,0,0,0,0|1,1,0]=4 1420 B11R1.180 C=CCOCc1sccc1C 34a_100000238368_100015514636 [0,2,0,0,0,0|2,0,0]=4 1421 B11R1.180 C=CCOCc1sccc1C 7a_100000238368_100015514636 [0,2,0,0,0,0|2,0,0]=4 1422 B11R1.180 C=CCOCc1scnc1Br 7a_100012000948_100015514636 [0,2,0,0,0,0|2,0,0]=4 1423 B11R1.180 C=CCOCc1scnc1C 34a_100000750112_100015514636 [0,2,0,0,0,0|1,0,0]=3 1424 B11R1.180 C=CCOCc1scnc1C 7a_100000750112_100015514636 [0,2,0,0,0,0|1,0,0]=3 1425 B11R1.180 C=CCOCc1snnc1C 34a_200000210373_100000732739 [0,2,0,0,0,0|2,0,0]=4 1426 B11R1.180 C=CCSCc1snnc1C 62a_100000210623_100000732739 [0,2,0,0,0,0|2,0,0]=4 1427 B11R1.180 C=CCSCc1snnc1C 62a_100000732739_100000210623 [0,2,0,0,0,0|2,0,0]=4 1428 B11R1.180 CC#CCSc1scnc1C 62a_100000748600_100009817116 [0,2,0,0,0,0|1,0,1]=4 1429 B11R1.180 CC#CCSc1scnc1C 62a_100009817116_100000748600 [0,2,0,0,0,0|1,0,1]=4 1430 B11R1.180 CC=CCSc1scnc1C 62a_100000070051_100009817116 [0,2,0,0,0,0|1,0,1]=4 1431 B11R1.180 CC=CCSc1scnc1C 62a_100009817116_100000070051 [0,2,0,0,0,0|1,0,1]=4 1432 B11R1.180 CCCC=Cc1sccc1C 271570a_100016258520_100000742657 [0,2,0,0,0,0|2,0,0]=4 1433 B11R1.180 CCCC=Cc1scnc1C 271570a_100016258520_100009817116 [0,2,0,0,0,0|1,0,0]=3 1434 B11R1.180 CCCCSc1sccc1C 62a_100000210211_100010247149 [0,2,0,0,0,0|2,0,0]=4 1435 B11R1.180 CCCCSc1sccc1C 62a_100010247149_100000210210 [0,2,0,0,0,0|2,0,0]=4 1436 B11R1.180 CCCCSc1scnc1C 62a_100000210211_100009817116 [0,2,0,0,0,0|1,0,0]=3 1437 B11R1.180 CCCCSc1scnc1C 62a_100009817116_100000210210 [0,2,0,0,0,0|1,0,0]=3 1438 B11R1.180 CCCNCc1sccc1C 207a_100020643023_100000210881 [0,2,0,0,0,0|2,0,0]=4 1439 B11R1.180 CCCNCc1sccc1C 2230a_100000238519_100000210303 [0,2,0,0,0,0|2,0,0]=4 1440 B11R1.180 CCCNCc1sccc1C 270004a_100020643023_100000210881 [0,2,0,0,0,0|2,0,0]=4 1441 B11R1.180 CCCNCc1sccc1C 34a_100000238519_100000210303 [0,2,0,0,0,0|2,0,0]=4 1442 B11R1.180 CCCNCc1scnc1C 207a_100020643023_100000764165 [0,2,0,0,0,0|1,0,0]=3 1443 B11R1.180 CCCNCc1scnc1C 2230a_100000752186_100000210303 [0,2,0,0,0,0|1,0,0]=3 1444 B11R1.180 CCCNCc1snnc1C 2230a_100000732738_100000210303 [0,2,0,0,0,0|2,0,0]=4 1445 B11R1.180 CCCNCc1snnc1C 270004a_100020643023_100000732746 [0,2,0,0,0,0|2,0,0]=4 1446 B11R1.180 CCCOCc1ocnc1C 34a_100000717716_100000210303 [0,2,0,0,0,0|1,1,0]=4 1447 B11R1.180 CCCOCc1ocnc1C 7a_100000717716_100000210303 [0,2,0,0,0,0|1,1,0]=4 1448 B11R1.180 CCCOCc1sccc1C 34a_100000238368_100000210303 [0,2,0,0,0,0|2,0,0]=4 1449 B11R1.180 CCCOCc1sccc1C 7a_100000238368_100000210303 [0,2,0,0,0,0|2,0,0]=4 1450 B11R1.180 CCCOCc1scnc1Br 7a_100012000948_100000210303 [0,2,0,0,0,0|2,0,0]=4 1451 B11R1.180 CCCOCc1scnc1C 34a_100000750112_100000210303 [0,2,0,0,0,0|1,0,0]=3 1452 B11R1.180 CCCOCc1scnc1C 7a_100000750112_100000210303 [0,2,0,0,0,0|1,0,0]=3 1453 B11R1.180 CCCOCc1snnc1C 34a_100000210258_100000732739 [0,2,0,0,0,0|2,0,0]=4 1454 B11R1.180 CCCSCc1snnc1C 62a_100000210303_100000732739 [0,2,0,0,0,0|2,0,0]=4 1455 B11R1.180 CCCSCc1snnc1C 62a_100000732739_100000210303 [0,2,0,0,0,0|2,0,0]=4 1456 B11R1.180 CCNCCc1scnc1C 2230a_100000238517_100000210202 [0,2,0,0,0,0|1,0,0]=3 1457 B11R1.180 CCNCCc1scnc1C 2230a_100015525214_100000057103 [0,2,0,0,0,0|1,0,0]=3 1458 B11R1.180 CCNCCc1scnc1C 34a_100000238517_100000210202 [0,2,0,0,0,0|1,0,0]=3 1459 B11R1.180 CCNN=Cc1scnc1C 4a_100000756455_100000764165 [0,2,0,0,0,0|1,0,1]=4 1460 B11R1.180 CCOC=Cc1scnc1C 271570a_100016256518_100009817116 [0,2,0,0,0,0|0,0,2]=4 1461 B11R1.180 CCOCCc1scnc1C 34a_100000211055_100000210202 [0,2,0,0,0,0|0,0,0]=2 1462 B11R1.180 CCOCCc1scnc1C 34a_100121572206_100000057103 [0,2,0,0,0,0|0,0,0]=2 1463 B11R1.180 CCOCCc1scnc1C 7a_100000211055_100000210202 [0,2,0,0,0,0|0,0,0]=2 1464 B11R1.180 CCOCCn1ccnc1C 34a_100000702865_100000210202 [0,2,0,0,0,0|2,0,0]=4 1465 B11R1.180 CCOCCn1ccnc1C 7a_100000702865_100000210202 [0,2,0,0,0,0|2,0,0]=4 1466 B11R1.180 CCOCSc1sccc1C 62a_100000739092_100010247149 [0,2,0,0,0,0|2,0,0]=4 1467 B11R1.180 CCOCSc1sccc1C 62a_100010247149_100000739092 [0,2,0,0,0,0|2,0,0]=4 1468 B11R1.180 CCOCSc1scnc1C 62a_100000739092_100009817116 [0,2,0,0,0,0|1,0,0]=3 1469 B11R1.180 CCOCSc1scnc1C 62a_100009817116_100000739092 [0,2,0,0,0,0|1,0,0]=3 1470 B11R1.180 CCSCCc1scnc1C 62a_100000057103_100000210202 [0,2,0,0,0,0|0,1,0]=3 1471 B11R1.180 CCSCCc1scnc1C 62a_100000210202_100000057103 [0,2,0,0,0,0|0,1,0]=3 1472 B11R1.180 COCC=Cc1sccc1C 271570a_100016286323_100000742657 [0,2,0,0,0,0|1,0,1]=4 1473 B11R1.180 COCC=Cc1scnc1C 271570a_100016286323_100009817116 [0,2,0,0,0,0|0,0,1]=3 1474 B11R1.180 COCCCn1ccnc1C 34a_100015185905_200000210301 [0,2,0,0,0,0|2,0,0]=4 1475 B11R1.180 COCCCn1ccnc1C 34a_100138415774_100000690325 [0,2,0,0,0,0|2,0,0]=4 1476 B11R1.180 COCCCn1ccnc1C 7a_100015185905_200000210301 [0,2,0,0,0,0|2,0,0]=4 1477 B11R1.180 COCCNc1ncnn1C 27a_100000209980_100000732653 [0,2,0,0,0,0|2,0,0]=4 1478 B11R1.180 COCCOc1ccnn1C 34a_100020632926_100011201679 [0,2,0,0,0,0|2,0,0]=4 1479 B11R1.180 COCCSc1[nH]cnc1Cl 62a_100000233755_100010200774 [0,2,0,0,0,0|2,0,0]=4 1480 B11R1.180 COCCSc1[nH]cnc1Cl 62a_100010200774_100000233755 [0,2,0,0,0,0|2,0,0]=4 1481 B11R1.180 COCCSc1c[nH]nc1C 62a_100000233755_100000692133 [0,2,0,0,0,0|2,0,0]=4 1482 B11R1.180 COCCSc1c[nH]nc1C 62a_100000692133_100000233755 [0,2,0,0,0,0|2,0,0]=4 1483 B11R1.180 COCCSc1ccnn1C 62a_100000233755_100000688441 [0,2,0,0,0,0|2,0,0]=4 1484 B11R1.180 COCCSc1ccnn1C 62a_100000688441_100000233755 [0,2,0,0,0,0|2,0,0]=4 1485 B11R1.180 COCCSc1ccsc1C 62a_100000233755_100000684487 [0,2,0,0,0,0|2,0,0]=4 1486 B11R1.180 COCCSc1ccsc1C 62a_100000684487_100000233755 [0,2,0,0,0,0|2,0,0]=4 1487 B11R1.180 COCCSc1nc[nH]c1C 62a_100000233755_100010186451 [0,2,0,0,0,0|1,0,1]=4 1488 B11R1.180 COCCSc1nc[nH]c1C 62a_100010186451_100000233755 [0,2,0,0,0,0|1,0,1]=4 1489 B11R1.180 COCCSc1ncnn1C 62a_100000233755_100000732653 [0,2,0,0,0,0|2,0,0]=4 1490 B11R1.180 COCCSc1ncnn1C 62a_100000732653_100000233755 [0,2,0,0,0,0|2,0,0]=4 1491 B11R1.180 COCCSc1ncsc1C 62a_100000233755_100000732656 [0,2,0,0,0,0|2,0,0]=4 1492 B11R1.180 COCCSc1ncsc1C 62a_100000732656_100000233755 [0,2,0,0,0,0|2,0,0]=4 1493 B11R1.180 COCCSc1sccc1Br 62a_100000233755_100012361411 [0,2,0,0,0,0|2,0,0]=4 1494 B11R1.180 COCCSc1sccc1Br 62a_100012361411_100000233755 [0,2,0,0,0,0|2,0,0]=4 1495 B11R1.180 COCCSc1sccc1C 62a_100000233755_100010247149 [0,2,0,0,0,0|1,0,0]=3 1496 B11R1.180 COCCSc1sccc1C 62a_100010247149_100000233755 [0,2,0,0,0,0|1,0,0]=3 1497 B11R1.180 COCCSc1scnc1C 62a_100000233755_100009817116 [0,2,0,0,0,0|0,0,0]=2 1498 B11R1.180 COCCSc1scnc1C 62a_100009817116_100000233755 [0,2,0,0,0,0|0,0,0]=2 1499 B11R1.180 COCNCc1sccc1C 2230a_100000238519_100000766300 [0,2,0,0,0,0|1,0,0]=3 1500 B11R1.180 COCNCc1sccc1Cl 2230a_100011934584_100000766300 [0,2,0,0,0,0|2,0,0]=4 1501 B11R1.180 COCNCc1scnc1C 2230a_100000752186_100000766300 [0,2,0,0,0,0|0,0,0]=2 1502 B11R1.180 COCNCc1snnc1C 2230a_100000732738_100000766300 [0,2,0,0,0,0|1,0,0]=3 1503 B11R1.180 COCSCc1ccnn1C 62a_100000691648_100000766300 [0,2,0,0,0,0|2,0,0]=4 1504 B11R1.180 COCSCc1ccnn1C 62a_100000766300_100000691648 [0,2,0,0,0,0|2,0,0]=4 1505 B11R1.180 COCSCc1nc[nH]c1C 62a_100000751220_100000766300 [0,2,0,0,0,0|1,0,1]=4 1506 B11R1.180 COCSCc1nc[nH]c1C 62a_100000766300_100000751220 [0,2,0,0,0,0|1,0,1]=4 1507 B11R1.180 COCSCc1ncoc1C 62a_100000766300_200000693990 [0,2,0,0,0,0|2,0,0]=4 1508 B11R1.180 COCSCc1ncoc1C 62a_200000693990_100000766300 [0,2,0,0,0,0|2,0,0]=4 1509 B11R1.180 COCSCc1nonc1C 62a_100000766300_200000044682 [0,2,0,0,0,0|2,0,0]=4 1510 B11R1.180 COCSCc1nonc1C 62a_200000044682_100000766300 [0,2,0,0,0,0|2,0,0]=4 1511 B11R1.180 COCSCc1snnc1C 62a_100000732739_100000766300 [0,2,0,0,0,0|1,0,0]=3 1512 B11R1.180 COCSCc1snnc1C 62a_100000766300_100000732739 [0,2,0,0,0,0|1,0,0]=3 1513 B11R1.180 CSCCSc1sccc1C 62a_100000212216_100010247149 [0,2,0,0,0,0|1,1,0]=4 1514 B11R1.180 CSCCSc1sccc1C 62a_100010247149_100000751147 [0,2,0,0,0,0|1,1,0]=4 1515 B11R1.180 CSCCSc1scnc1C 62a_100000212216_100009817116 [0,2,0,0,0,0|0,1,0]=3 1516 B11R1.180 CSCCSc1scnc1C 62a_100009817116_100000751147 [0,2,0,0,0,0|0,1,0]=3 1517 B11R1.180 CSCNCc1sccc1C 2230a_100000238519_100011218213 [0,2,0,0,0,0|1,1,0]=4 1518 B11R1.180 CSCNCc1sccc1C 34a_100000238519_100011218213 [0,2,0,0,0,0|1,1,0]=4 1519 B11R1.180 CSCNCc1scnc1C 2230a_100000752186_100011218213 [0,2,0,0,0,0|0,1,0]=3 1520 B11R1.180 CSCNCc1snnc1C 2230a_100000732738_100011218213 [0,2,0,0,0,0|1,1,0]=4 1521 B11R1.180 CSCOCc1ocnc1C 34a_100000717716_100011218213 [0,2,0,0,0,0|0,2,0]=4 1522 B11R1.180 CSCOCc1sccc1C 34a_100000238368_100011218213 [0,2,0,0,0,0|1,1,0]=4 1523 B11R1.180 CSCOCc1scnc1C 34a_100000750112_100011218213 [0,2,0,0,0,0|0,1,0]=3 1524 B11R1.180 CSCSCc1snnc1C 62a_100000732739_100011218213 [0,2,0,0,0,0|1,1,0]=4 1525 B11R1.180 CSCSCc1snnc1C 62a_100011218213_100000732739 [0,2,0,0,0,0|1,1,0]=4 1526 B11R1.180 Cc1[nH]cnc1CNCCO 207a_100000210304_100000032982 [0,2,0,0,0,0|1,0,1]=4 1527 B11R1.180 Cc1[nH]cnc1CNCCO 2230a_100016997473_100000751220 [0,2,0,0,0,0|1,0,1]=4 1528 B11R1.180 Cc1[nH]cnc1CSCCO 62a_100000211926_100000751220 [0,2,0,0,0,0|1,0,1]=4 1529 B11R1.180 Cc1[nH]cnc1CSCCO 62a_100000751220_100000211926 [0,2,0,0,0,0|1,0,1]=4 1530 B11R1.180 Cc1[nH]cnc1SCCCO 62a_100010186451_100011215043 [0,2,0,0,0,0|1,0,1]=4 1531 B11R1.180 Cc1[nH]cnc1SCCCO 62a_100011215043_100010186451 [0,2,0,0,0,0|1,0,1]=4 1532 B11R1.180 Cc1ccoc1CNCCO 207a_100000210304_100000763527 [0,2,0,0,0,0|1,1,0]=4 1533 B11R1.180 Cc1ccoc1CNCCO 270004a_100000210304_100000763527 [0,2,0,0,0,0|1,1,0]=4 1534 B11R1.180 Cc1ccoc1COCCO 34a_100011273948_100000211926 [0,2,0,0,0,0|1,1,0]=4 1535 B11R1.180 Cc1ccoc1COCCO 7a_100011273948_100000211926 [0,2,0,0,0,0|1,1,0]=4 1536 B11R1.180 Cc1ccsc1CNCC#N 2230a_100000238519_100011215382 [0,2,0,0,0,0|2,0,0]=4 1537 B11R1.180 Cc1ccsc1CNCC=O 2230a_100000238519_200015260668 [0,2,0,0,0,0|1,0,1]=4 1538 B11R1.180 Cc1ccsc1CNCC=O 34a_100000238519_200009817547 [0,2,0,0,0,0|1,0,1]=4 1539 B11R1.180 Cc1ccsc1CNCCF 2230a_100000238519_100011217306 [0,2,0,0,0,0|2,0,0]=4 1540 B11R1.180 Cc1ccsc1CNCCF 34a_100000238519_100011217306 [0,2,0,0,0,0|2,0,0]=4 1541 B11R1.180 Cc1ccsc1CNCCO 207a_100000210304_100000210881 [0,2,0,0,0,0|1,0,0]=3 1542 B11R1.180 Cc1ccsc1CNCCO 2230a_100000238519_100000211926 [0,2,0,0,0,0|1,0,0]=3 1543 B11R1.180 Cc1ccsc1CNCCO 270004a_100000210304_100000210881 [0,2,0,0,0,0|1,0,0]=3 1544 B11R1.180 Cc1ccsc1CNCCO 34a_100000238519_100000211926 [0,2,0,0,0,0|1,0,0]=3 1545 B11R1.180 Cc1ccsc1COCC#N 7a_100000238368_100011215382 [0,2,0,0,0,0|2,0,0]=4 1546 B11R1.180 Cc1ccsc1COCC=O 34a_100000238368_200009817547 [0,2,0,0,0,0|1,0,1]=4 1547 B11R1.180 Cc1ccsc1COCC=O 7a_100000238368_200015260668 [0,2,0,0,0,0|1,0,1]=4 1548 B11R1.180 Cc1ccsc1COCCF 34a_100000238368_100011217306 [0,2,0,0,0,0|2,0,0]=4 1549 B11R1.180 Cc1ccsc1COCCF 7a_100000238368_100011217306 [0,2,0,0,0,0|2,0,0]=4 1550 B11R1.180 Cc1ccsc1COCCO 34a_100000238368_100000211926 [0,2,0,0,0,0|1,0,0]=3 1551 B11R1.180 Cc1ccsc1COCCO 7a_100000238368_100000211926 [0,2,0,0,0,0|1,0,0]=3 1552 B11R1.180 Cc1ccsc1SCCC#N 62a_100010247149_100011215226 [0,2,0,0,0,0|2,0,0]=4 1553 B11R1.180 Cc1ccsc1SCCC#N 62a_100011215226_100010247149 [0,2,0,0,0,0|2,0,0]=4 1554 B11R1.180 Cc1ccsc1SCCCF 62a_100010247149_100011934791 [0,2,0,0,0,0|2,0,0]=4 1555 B11R1.180 Cc1ccsc1SCCCF 62a_100011934791_100010247149 [0,2,0,0,0,0|2,0,0]=4 1556 B11R1.180 Cc1ccsc1SCCCO 62a_100010247149_100011215043 [0,2,0,0,0,0|1,0,0]=3 1557 B11R1.180 Cc1ccsc1SCCCO 62a_100011215043_100010247149 [0,2,0,0,0,0|1,0,0]=3 1558 B11R1.180 Cc1n[nH]cc1CNCCO 207a_100000210304_100000737037 [0,2,0,0,0,0|2,0,0]=4 1559 B11R1.180 Cc1n[nH]cc1SCCCO 62a_100000692133_100011215043 [0,2,0,0,0,0|2,0,0]=4 1560 B11R1.180 Cc1n[nH]cc1SCCCO 62a_100011215043_100000692133 [0,2,0,0,0,0|2,0,0]=4 1561 B11R1.180 Cc1nccn1CCCO[13CH3] 34a_100015185905_200025704644 [0,2,0,0,0,0|2,0,0]=4 1562 B11R1.180 Cc1nccn1CCCO[13CH3] 7a_100015185905_200025704644 [0,2,0,0,0,0|2,0,0]=4 1563 B11R1.180 Cc1nccn1CCOCF 34a_100000702865_100015361967 [0,2,0,0,0,0|2,0,0]=4 1564 B11R1.180 Cc1nccn1CCOCF 7a_100000702865_100015361967 [0,2,0,0,0,0|2,0,0]=4 1565 B11R1.180 Cc1ncoc1COCC#N 7a_100000717716_100011215382 [0,2,0,0,0,0|1,1,0]=4 1566 B11R1.180 Cc1ncoc1COCC=O 34a_100000717716_200009817547 [0,2,0,0,0,0|0,1,1]=4 1567 B11R1.180 Cc1ncoc1COCC=O 7a_100000717716_200015260668 [0,2,0,0,0,0|0,1,1]=4 1568 B11R1.180 Cc1ncoc1COCCF 34a_100000717716_100011217306 [0,2,0,0,0,0|1,1,0]=4 1569 B11R1.180 Cc1ncoc1COCCF 7a_100000717716_100011217306 [0,2,0,0,0,0|1,1,0]=4 1570 B11R1.180 Cc1ncoc1COCCO 34a_100000717716_100000211926 [0,2,0,0,0,0|0,1,0]=3 1571 B11R1.180 Cc1ncoc1COCCO 7a_100000717716_100000211926 [0,2,0,0,0,0|0,1,0]=3 1572 B11R1.180 Cc1ncsc1CCNCF 34a_100000238517_100015361967 [0,2,0,0,0,0|1,0,0]=3 1573 B11R1.180 Cc1ncsc1CCOCF 34a_100000211055_100015361967 [0,2,0,0,0,0|0,0,0]=2 1574 B11R1.180 Cc1ncsc1CCOCF 7a_100000211055_100015361967 [0,2,0,0,0,0|0,0,0]=2 1575 B11R1.180 Cc1ncsc1CCSCF 62a_100000057103_100015361967 [0,2,0,0,0,0|0,1,0]=3 1576 B11R1.180 Cc1ncsc1CCSCF 62a_100015361967_100000057103 [0,2,0,0,0,0|0,1,0]=3 1577 B11R1.180 Cc1ncsc1CNCC#N 2230a_100000752186_100011215382 [0,2,0,0,0,0|1,0,0]=3 1578 B11R1.180 Cc1ncsc1CNCC=O 2230a_100000752186_200015260668 [0,2,0,0,0,0|0,0,1]=3 1579 B11R1.180 Cc1ncsc1CNCCF 2230a_100000752186_100011217306 [0,2,0,0,0,0|1,0,0]=3 1580 B11R1.180 Cc1ncsc1CNCCO 207a_100000210304_100000764165 [0,2,0,0,0,0|0,0,0]=2 1581 B11R1.180 Cc1ncsc1CNCCO 2230a_100000752186_100000211926 [0,2,0,0,0,0|0,0,0]=2 1582 B11R1.180 Cc1ncsc1COCC#N 7a_100000750112_100011215382 [0,2,0,0,0,0|1,0,0]=3 1583 B11R1.180 Cc1ncsc1COCC=O 34a_100000750112_200009817547 [0,2,0,0,0,0|0,0,1]=3 1584 B11R1.180 Cc1ncsc1COCC=O 7a_100000750112_200015260668 [0,2,0,0,0,0|0,0,1]=3 1585 B11R1.180 Cc1ncsc1COCCF 34a_100000750112_100011217306 [0,2,0,0,0,0|1,0,0]=3 1586 B11R1.180 Cc1ncsc1COCCF 7a_100000750112_100011217306 [0,2,0,0,0,0|1,0,0]=3 1587 B11R1.180 Cc1ncsc1COCCO 34a_100000750112_100000211926 [0,2,0,0,0,0|0,0,0]=2 1588 B11R1.180 Cc1ncsc1COCCO 7a_100000750112_100000211926 [0,2,0,0,0,0|0,0,0]=2 1589 B11R1.180 Cc1ncsc1SCCC#N 62a_100009817116_100011215226 [0,2,0,0,0,0|1,0,0]=3 1590 B11R1.180 Cc1ncsc1SCCC#N 62a_100011215226_100009817116 [0,2,0,0,0,0|1,0,0]=3 1591 B11R1.180 Cc1ncsc1SCCCF 62a_100009817116_100011934791 [0,2,0,0,0,0|1,0,0]=3 1592 B11R1.180 Cc1ncsc1SCCCF 62a_100011934791_100009817116 [0,2,0,0,0,0|1,0,0]=3 1593 B11R1.180 Cc1ncsc1SCCCO 62a_100009817116_100011215043 [0,2,0,0,0,0|0,0,0]=2 1594 B11R1.180 Cc1ncsc1SCCCO 62a_100011215043_100009817116 [0,2,0,0,0,0|0,0,0]=2 1595 B11R1.180 Cc1ncsc1SCSC#N 62a_100000211825_100009817116 [0,2,0,0,0,0|1,0,1]=4 1596 B11R1.180 Cc1ncsc1SCSC#N 62a_100009817116_100000211825 [0,2,0,0,0,0|1,0,1]=4 1597 B11R1.180 Cc1nnsc1CNCC#N 2230a_100000732738_100011215382 [0,2,0,0,0,0|2,0,0]=4 1598 B11R1.180 Cc1nnsc1CNCC=O 2230a_100000732738_200015260668 [0,2,0,0,0,0|1,0,1]=4 1599 B11R1.180 Cc1nnsc1CNCCF 2230a_100000732738_100011217306 [0,2,0,0,0,0|2,0,0]=4 1600 B11R1.180 Cc1nnsc1CNCCF 34a_100000724931_100000732739 [0,2,0,0,0,0|2,0,0]=4 1601 B11R1.180 Cc1nnsc1CNCCO 2230a_100000732738_100000211926 [0,2,0,0,0,0|1,0,0]=3 1602 B11R1.180 Cc1nnsc1CNCCO 2230a_100016997473_100000732739 [0,2,0,0,0,0|1,0,0]=3 1603 B11R1.180 Cc1nnsc1CNCCO 270004a_100000210304_100000732746 [0,2,0,0,0,0|1,0,0]=3 1604 B11R1.180 Cc1nnsc1CNCCO 34a_100016990907_100000732739 [0,2,0,0,0,0|1,0,0]=3 1605 B11R1.180 Cc1nnsc1COCCBr 34a_100000211926_100000732739 [0,2,0,0,0,0|2,0,0]=4 1606 B11R1.180 Cc1nnsc1COCCN 34a_100000210304_100000732739 [0,2,0,0,0,0|2,0,0]=4 1607 B11R1.180 Cc1nnsc1CSCC#N 62a_100000732739_100011215382 [0,2,0,0,0,0|2,0,0]=4 1608 B11R1.180 Cc1nnsc1CSCC#N 62a_100011215382_100000732739 [0,2,0,0,0,0|2,0,0]=4 1609 B11R1.180 Cc1nnsc1CSCC=O 62a_100000732739_200015260668 [0,2,0,0,0,0|1,0,1]=4 1610 B11R1.180 Cc1nnsc1CSCC=O 62a_200015260668_100000732739 [0,2,0,0,0,0|1,0,1]=4 1611 B11R1.180 Cc1nnsc1CSCCF 62a_100000732739_100011217306 [0,2,0,0,0,0|2,0,0]=4 1612 B11R1.180 Cc1nnsc1CSCCF 62a_100011217306_100000732739 [0,2,0,0,0,0|2,0,0]=4 1613 B11R1.180 Cc1nnsc1CSCCO 62a_100000211926_100000732739 [0,2,0,0,0,0|1,0,0]=3 1614 B11R1.180 Cc1nnsc1CSCCO 62a_100000732739_100000211926 [0,2,0,0,0,0|1,0,0]=3 1615 B11R1.180 Cc1nonc1CNCCO 2230a_100016997473_200000044682 [0,2,0,0,0,0|2,0,0]=4 1616 B11R1.180 Cc1nonc1CNCCO 34a_100016990907_200000044682 [0,2,0,0,0,0|2,0,0]=4 1617 B11R1.180 Cc1nonc1CSCCO 62a_100000211926_200000044682 [0,2,0,0,0,0|2,0,0]=4 1618 B11R1.180 Cc1nonc1CSCCO 62a_200000044682_100000211926 [0,2,0,0,0,0|2,0,0]=4 1619 B11R1.180 Cc1occc1COCCO 34a_100011219433_100000211926 [0,2,0,0,0,0|2,0,0]=4 1620 B11R1.180 Cc1occc1COCCO 7a_100011219433_100000211926 [0,2,0,0,0,0|2,0,0]=4 1621 B11R1.180 Cc1ocnc1CNCCO 2230a_100016997473_200000693990 [0,2,0,0,0,0|2,0,0]=4 1622 B11R1.180 Cc1ocnc1CNCCO 34a_100016990907_200000693990 [0,2,0,0,0,0|2,0,0]=4 1623 B11R1.180 Cc1ocnc1COCCO 34a_100012017639_100000211926 [0,2,0,0,0,0|2,0,0]=4 1624 B11R1.180 Cc1ocnc1CSCCO 62a_100000211926_200000693990 [0,2,0,0,0,0|2,0,0]=4 1625 B11R1.180 Cc1ocnc1CSCCO 62a_200000693990_100000211926 [0,2,0,0,0,0|2,0,0]=4 1626 B11R1.180 Cc1sccc1SCCCO 62a_100000684487_100011215043 [0,2,0,0,0,0|2,0,0]=4 1627 B11R1.180 Cc1sccc1SCCCO 62a_100011215043_100000684487 [0,2,0,0,0,0|2,0,0]=4 1628 B11R1.180 Cc1scnc1SCCCO 62a_100000732656_100011215043 [0,2,0,0,0,0|2,0,0]=4 1629 B11R1.180 Cc1scnc1SCCCO 62a_100011215043_100000732656 [0,2,0,0,0,0|2,0,0]=4 1630 B11R1.180 Cn1nccc1CNCCO 207a_100000210304_100000737161 [0,2,0,0,0,0|2,0,0]=4 1631 B11R1.180 Cn1nccc1CNCCO 2230a_100016997473_100000691648 [0,2,0,0,0,0|2,0,0]=4 1632 B11R1.180 Cn1nccc1CNCCO 270004a_100000210304_100000737161 [0,2,0,0,0,0|2,0,0]=4 1633 B11R1.180 Cn1nccc1CNCCO 34a_100016990907_100000691648 [0,2,0,0,0,0|2,0,0]=4 1634 B11R1.180 Cn1nccc1CNCCO 34a_100025706696_100000211926 [0,2,0,0,0,0|2,0,0]=4 1635 B11R1.180 Cn1nccc1COCCO 34a_100000684702_100000211926 [0,2,0,0,0,0|2,0,0]=4 1636 B11R1.180 Cn1nccc1CSCCO 62a_100000211926_100000691648 [0,2,0,0,0,0|2,0,0]=4 1637 B11R1.180 Cn1nccc1CSCCO 62a_100000691648_100000211926 [0,2,0,0,0,0|2,0,0]=4 1638 B11R1.180 Cn1nccc1OCCCO 34a_100020632926_100000230001 [0,2,0,0,0,0|2,0,0]=4 1639 B11R1.180 Cn1nccc1SCCCO 62a_100000688441_100011215043 [0,2,0,0,0,0|2,0,0]=4 1640 B11R1.180 Cn1nccc1SCCCO 62a_100011215043_100000688441 [0,2,0,0,0,0|2,0,0]=4 1641 B11R1.180 Cn1ncnc1COCCO 7a_100000688323_100000211926 [0,2,0,0,0,0|2,0,0]=4 1642 B11R1.180 Cn1ncnc1NCCCO 27a_100000182051_100000732653 [0,2,0,0,0,0|2,0,0]=4 1643 B11R1.180 Cn1ncnc1SCCCO 62a_100000732653_100011215043 [0,2,0,0,0,0|2,0,0]=4 1644 B11R1.180 Cn1ncnc1SCCCO 62a_100011215043_100000732653 [0,2,0,0,0,0|2,0,0]=4 1645 B11R1.180 FCCOCc1scnc1Br 7a_100012000948_100011217306 [0,2,0,0,0,0|2,0,0]=4 1646 B11R1.180 N#CCOCc1scnc1Br 7a_100012000948_100011215382 [0,2,0,0,0,0|2,0,0]=4 1647 B11R1.180 O=CCOCc1scnc1Br 7a_100012000948_200015260668 [0,2,0,0,0,0|1,0,1]=4 1648 B11R1.180 OCCCSc1[nH]cnc1Cl 62a_100010200774_100011215043 [0,2,0,0,0,0|2,0,0]=4 1649 B11R1.180 OCCCSc1[nH]cnc1Cl 62a_100011215043_100010200774 [0,2,0,0,0,0|2,0,0]=4 1650 B11R1.180 OCCCSc1sccc1Br 62a_100011215043_100012361411 [0,2,0,0,0,0|2,0,0]=4 1651 B11R1.180 OCCCSc1sccc1Br 62a_100012361411_100011215043 [0,2,0,0,0,0|2,0,0]=4 1652 B11R1.180 OCCNCc1sccc1Br 207a_100000210304_100000766043 [0,2,0,0,0,0|2,0,0]=4 1653 B11R1.180 OCCNCc1sccc1Br 270004a_100000210304_100000766043 [0,2,0,0,0,0|2,0,0]=4 1654 B11R1.180 OCCNCc1sccc1Cl 207a_100000210304_100000722334 [0,2,0,0,0,0|2,0,0]=4 1655 B11R1.180 OCCNCc1sccc1Cl 2230a_100011934584_100000211926 [0,2,0,0,0,0|2,0,0]=4 1656 B11R1.180 OCCNCc1sccc1Cl 270004a_100000210304_100000722334 [0,2,0,0,0,0|2,0,0]=4 1657 B11R1.180 OCCNCc1sccc1Cl 34a_100011934584_100000211926 [0,2,0,0,0,0|2,0,0]=4 1658 B11R1.180 OCCOCc1sccc1Br 34a_100000702026_100000211926 [0,2,0,0,0,0|2,0,0]=4 1659 B11R1.180 OCCOCc1sccc1Cl 34a_100000722387_100000211926 [0,2,0,0,0,0|2,0,0]=4 1660 B11R1.180 OCCOCc1sccc1Cl 7a_100000722387_100000211926 [0,2,0,0,0,0|2,0,0]=4 1661 B11R1.180 OCCOCc1scnc1Br 7a_100012000948_100000211926 [0,2,0,0,0,0|1,0,0]=3 1662 B11R1.199 CN(CCO)c1ncnn1C 27a_100000210263_100000732653 [0,2,0,0,0,0|2,0,0]=4 1663 B11R1.199 COCC(C)n1ccnc1C 34a_100012001285_200000210301 [0,2,0,0,0,0|2,0,0]=4 1664 B11R1.199 COCC(C)n1ccnc1C 7a_100012001285_200000210301 [0,2,0,0,0,0|2,0,0]=4 1665 B11R1.199 Cc1nccn1C(C)CO[13CH3] 34a_100012001285_200025704644 [0,2,0,0,0,0|2,0,0]=4 1666 B11R1.199 Cc1nccn1C(C)CO[13CH3] 7a_100012001285_200025704644 [0,2,0,0,0,0|2,0,0]=4 1667 B11R1.212 COCCc1sc[n+](c1C)C 34a_100000085727_200000210301 [0,2,0,0,0,0|0,0,1]=3 1668 B11R1.212 COCCc1sc[n+](c1C)C 7a_100000085727_200000210301 [0,2,0,0,0,0|0,0,1]=3 1669 B11R1.212 Cc1c(sc[n+]1C)CCO[13CH3] 34a_100000085727_200025704644 [0,2,0,0,0,0|0,0,1]=3 1670 B11R1.212 Cc1c(sc[n+]1C)CCO[13CH3] 7a_100000085727_200025704644 [0,2,0,0,0,0|0,0,1]=3 1671 B11R1.228 C#CC(C)Sc1scnc1C 62a_200000035995_100009817116 [0,2,0,0,0,0|1,0,1]=4 1672 B11R1.228 C=CC(C)Sc1scnc1C 62a_100011215867_100009817116 [0,2,0,0,0,0|1,0,1]=4 1673 B11R1.228 CC(CO)Oc1ccnn1C 34a_100020632926_100012180447 [0,2,0,0,0,0|2,0,0]=4 1674 B11R1.228 CC(CO)Sc1[nH]cnc1Cl 62a_100012180447_100010200774 [0,2,0,0,0,0|2,0,0]=4 1675 B11R1.228 CC(CO)Sc1ccnn1C 62a_100012180447_100000688441 [0,2,0,0,0,0|2,0,0]=4 1676 B11R1.228 CC(CO)Sc1ncnn1C 62a_100012180447_100000732653 [0,2,0,0,0,0|2,0,0]=4 1677 B11R1.228 CC(CO)Sc1sccc1Br 62a_100012180447_100012361411 [0,2,0,0,0,0|2,0,0]=4 1678 B11R1.228 CCC(=O)Cc1snnc1C 1458a_100000210414_100000732739 [0,2,0,0,0,0|2,0,0]=4 1679 B11R1.228 CCC(C)Sc1sccc1C 62a_100000758301_100010247149 [0,2,0,0,0,0|2,0,0]=4 1680 B11R1.228 CCC(C)Sc1sccc1C 62a_100010247149_100000758301 [0,2,0,0,0,0|2,0,0]=4 1681 B11R1.228 CCC(C)Sc1scnc1C 62a_100000758301_100009817116 [0,2,0,0,0,0|1,0,0]=3 1682 B11R1.228 CCC(C)Sc1scnc1C 62a_100009817116_100000758301 [0,2,0,0,0,0|1,0,0]=3 1683 B11R1.228 CCN(C)Cc1sccc1C 2230a_100000695154_100000210202 [0,2,0,0,0,0|2,0,0]=4 1684 B11R1.228 CCN(C)Cc1sccc1C 269982a_100000695154_100000204670 [0,2,0,0,0,0|2,0,0]=4 1685 B11R1.228 CCN(C)Cc1snnc1C 2230a_100000225621_100000732739 [0,2,0,0,0,0|2,0,0]=4 1686 B11R1.228 CCN(C)Cc1snnc1C 269982a_100000225621_100000732739 [0,2,0,0,0,0|2,0,0]=4 1687 B11R1.228 COC(C)Sc1sccc1C 62a_100009879195_100010247149 [0,2,0,0,0,0|2,0,0]=4 1688 B11R1.228 COC(C)Sc1sccc1C 62a_100010247149_100009879195 [0,2,0,0,0,0|2,0,0]=4 1689 B11R1.228 COC(C)Sc1scnc1C 62a_100009817116_100009879195 [0,2,0,0,0,0|1,0,0]=3 1690 B11R1.228 COC(C)Sc1scnc1C 62a_100009879195_100009817116 [0,2,0,0,0,0|1,0,0]=3 1691 B11R1.228 C[C@H](CO)Nc1ncnn1C 27a_100000737577_100000732653 [0,2,0,0,0,0|2,0,0]=4 1692 B11R1.228 C[C@H](CO)Sc1[nH]cnc1Cl 62a_100010200774_100016084084 [0,2,0,0,0,0|2,0,0]=4 1693 B11R1.228 C[C@H](CO)Sc1[nH]cnc1Cl 62a_100016084084_100010200774 [0,2,0,0,0,0|2,0,0]=4 1694 B11R1.228 C[C@H](CO)Sc1ccnn1C 62a_100000688441_100016084084 [0,2,0,0,0,0|2,0,0]=4 1695 B11R1.228 C[C@H](CO)Sc1ccnn1C 62a_100016084084_100000688441 [0,2,0,0,0,0|2,0,0]=4 1696 B11R1.228 C[C@H](CO)Sc1ncnn1C 62a_100000732653_100016084084 [0,2,0,0,0,0|2,0,0]=4 1697 B11R1.228 C[C@H](CO)Sc1ncnn1C 62a_100016084084_100000732653 [0,2,0,0,0,0|2,0,0]=4 1698 B11R1.228 C[C@H](CO)Sc1sccc1Br 62a_100012361411_100016084084 [0,2,0,0,0,0|2,0,0]=4 1699 B11R1.228 C[C@H](CO)Sc1sccc1Br 62a_100016084084_100012361411 [0,2,0,0,0,0|2,0,0]=4 1700 B11R1.228 Cc1[nH]cnc1CC(=O)CO 1458a_100000210174_100000751220 [0,2,0,0,0,0|1,0,1]=4 1701 B11R1.228 Cc1[nH]cnc1SC(C)CO 62a_100012180447_100010186451 [0,2,0,0,0,0|1,0,1]=4 1702 B11R1.228 Cc1[nH]cnc1S[C@H](C)CO 62a_100010186451_100016084084 [0,2,0,0,0,0|1,0,1]=4 1703 B11R1.228 Cc1[nH]cnc1S[C@H](C)CO 62a_100016084084_100010186451 [0,2,0,0,0,0|1,0,1]=4 1704 B11R1.228 Cc1ccsc1CN(C)CF 269982a_100000695154_100015361967 [0,2,0,0,0,0|2,0,0]=4 1705 B11R1.228 Cc1ccsc1SC(C)CO 62a_100012180447_100010247149 [0,2,0,0,0,0|1,0,0]=3 1706 B11R1.228 Cc1ccsc1S[C@H](C)CO 62a_100010247149_100016084084 [0,2,0,0,0,0|1,0,0]=3 1707 B11R1.228 Cc1ccsc1S[C@H](C)CO 62a_100016084084_100010247149 [0,2,0,0,0,0|1,0,0]=3 1708 B11R1.228 Cc1n[nH]cc1SC(C)CO 62a_100012180447_100000692133 [0,2,0,0,0,0|2,0,0]=4 1709 B11R1.228 Cc1n[nH]cc1S[C@H](C)CO 62a_100000692133_100016084084 [0,2,0,0,0,0|2,0,0]=4 1710 B11R1.228 Cc1n[nH]cc1S[C@H](C)CO 62a_100016084084_100000692133 [0,2,0,0,0,0|2,0,0]=4 1711 B11R1.228 Cc1ncsc1SC(C)C#N 62a_100000703298_100009817116 [0,2,0,0,0,0|1,0,1]=4 1712 B11R1.228 Cc1ncsc1SC(C)C#N 62a_100009817116_100000703298 [0,2,0,0,0,0|1,0,1]=4 1713 B11R1.228 Cc1ncsc1SC(C)CO 62a_100012180447_100009817116 [0,2,0,0,0,0|0,0,0]=2 1714 B11R1.228 Cc1ncsc1SC(F)C#N 62a_100009817116_200000117898 [0,2,0,0,0,0|1,0,1]=4 1715 B11R1.228 Cc1ncsc1SC(F)C#N 62a_200000117898_100009817116 [0,2,0,0,0,0|1,0,1]=4 1716 B11R1.228 Cc1ncsc1S[C@H](C)CO 62a_100009817116_100016084084 [0,2,0,0,0,0|0,0,0]=2 1717 B11R1.228 Cc1ncsc1S[C@H](C)CO 62a_100016084084_100009817116 [0,2,0,0,0,0|0,0,0]=2 1718 B11R1.228 Cc1nnsc1CC(=O)CO 1458a_100000210174_100000732739 [0,2,0,0,0,0|1,0,0]=3 1719 B11R1.228 Cc1nonc1CC(=O)CO 1458a_100000210174_200000044682 [0,2,0,0,0,0|2,0,0]=4 1720 B11R1.228 Cc1ocnc1CC(=O)CO 1458a_100000210174_200000693990 [0,2,0,0,0,0|2,0,0]=4 1721 B11R1.228 Cc1sccc1SC(C)CO 62a_100012180447_100000684487 [0,2,0,0,0,0|2,0,0]=4 1722 B11R1.228 Cc1sccc1S[C@H](C)CO 62a_100000684487_100016084084 [0,2,0,0,0,0|2,0,0]=4 1723 B11R1.228 Cc1sccc1S[C@H](C)CO 62a_100016084084_100000684487 [0,2,0,0,0,0|2,0,0]=4 1724 B11R1.228 Cc1scnc1SC(C)CO 62a_100012180447_100000732656 [0,2,0,0,0,0|2,0,0]=4 1725 B11R1.228 Cc1scnc1S[C@H](C)CO 62a_100000732656_100016084084 [0,2,0,0,0,0|2,0,0]=4 1726 B11R1.228 Cc1scnc1S[C@H](C)CO 62a_100016084084_100000732656 [0,2,0,0,0,0|2,0,0]=4 1727 B11R1.228 Cn1nccc1CC(=O)CO 1458a_100000210174_100000691648 [0,2,0,0,0,0|2,0,0]=4 1728 B11R1.230 C#CCSc1sc(nc1C)C 62a_100000038162_100009814099 [0,2,0,0,0,0|1,0,1]=4 1729 B11R1.230 C#CCSc1sc(nc1C)N 62a_100000038162_100159269596 [0,2,0,0,0,0|1,0,1]=4 1730 B11R1.230 C=CCSc1sc(nc1C)C 62a_100000210623_100009814099 [0,2,0,0,0,0|1,0,1]=4 1731 B11R1.230 C=CCSc1sc(nc1C)C 62a_100009814099_100000210623 [0,2,0,0,0,0|1,0,1]=4 1732 B11R1.230 C=CCSc1sc(nc1C)N 62a_100000210623_100159269596 [0,2,0,0,0,0|1,0,1]=4 1733 B11R1.230 C=CCSc1sc(nc1C)N 62a_100159269596_100000210623 [0,2,0,0,0,0|1,0,1]=4 1734 B11R1.230 CCCCc1sc(cc1C)C 271570a_100020621405_100000689295 [0,2,0,0,0,0|2,0,0]=4 1735 B11R1.230 CCCCc1sc(nc1C)C 271570a_100020621405_100009814099 [0,2,0,0,0,0|1,0,0]=3 1736 B11R1.230 CCCSc1sc(cc1C)C 62a_100000210303_100000689295 [0,2,0,0,0,0|2,0,0]=4 1737 B11R1.230 CCCSc1sc(cc1C)C 62a_100000689295_100000210303 [0,2,0,0,0,0|2,0,0]=4 1738 B11R1.230 CCCSc1sc(nc1C)C 62a_100000210303_100009814099 [0,2,0,0,0,0|1,0,0]=3 1739 B11R1.230 CCCSc1sc(nc1C)C 62a_100009814099_100000210303 [0,2,0,0,0,0|1,0,0]=3 1740 B11R1.230 CCCSc1sc(nc1C)N 62a_100000210303_100159269596 [0,2,0,0,0,0|1,0,0]=3 1741 B11R1.230 CCCSc1sc(nc1C)N 62a_100159269596_100000210303 [0,2,0,0,0,0|1,0,0]=3 1742 B11R1.230 CCNCc1oc(nc1C)C 207a_100015525214_100000734261 [0,2,0,0,0,0|1,1,0]=4 1743 B11R1.230 CCNCc1sc(cc1C)Br 207a_100015525214_100010221198 [0,2,0,0,0,0|2,0,0]=4 1744 B11R1.230 CCNCc1sc(cc1C)Br 270004a_100015525214_100010221198 [0,2,0,0,0,0|2,0,0]=4 1745 B11R1.230 CCNCc1sc(nc1Br)C 2230a_100015525214_100015664652 [0,2,0,0,0,0|2,0,0]=4 1746 B11R1.230 CCNCc1sc(nc1C)C 207a_100015525214_100000757988 [0,2,0,0,0,0|1,0,0]=3 1747 B11R1.230 CCNCc1sc(nc1C)C 2230a_100000761763_100000210202 [0,2,0,0,0,0|1,0,0]=3 1748 B11R1.230 CCNCc1sc(nc1C)C 2230a_100015525214_100000760948 [0,2,0,0,0,0|1,0,0]=3 1749 B11R1.230 CCOCc1sc(nc1Br)Br 7a_100010218989_100000210202 [0,2,0,0,0,0|2,0,0]=4 1750 B11R1.230 CCOCc1sc(nc1Br)C 34a_100121572206_100015664652 [0,2,0,0,0,0|2,0,0]=4 1751 B11R1.230 CCOCc1sc(nc1C)Br 7a_100010264302_100000210202 [0,2,0,0,0,0|1,0,0]=3 1752 B11R1.230 CCOCc1sc(nc1C)C 34a_100000750043_100000210202 [0,2,0,0,0,0|1,0,0]=3 1753 B11R1.230 CCOCc1sc(nc1C)C 34a_100121572206_100000760948 [0,2,0,0,0,0|1,0,0]=3 1754 B11R1.230 CCOCc1sc(nc1C)C 7a_100000750043_100000210202 [0,2,0,0,0,0|1,0,0]=3 1755 B11R1.230 CCOCc1sc(nc1Cl)Cl 7a_100000721200_100000210202 [0,2,0,0,0,0|2,0,0]=4 1756 B11R1.230 CCSCc1sc(nc1Br)C 62a_100000210202_100015664652 [0,2,0,0,0,0|2,0,0]=4 1757 B11R1.230 CCSCc1sc(nc1Br)C 62a_100015664652_100000210202 [0,2,0,0,0,0|2,0,0]=4 1758 B11R1.230 CCSCc1sc(nc1C)C 62a_100000210202_100000760948 [0,2,0,0,0,0|1,0,0]=3 1759 B11R1.230 CCSCc1sc(nc1C)C 62a_100000760948_100000210202 [0,2,0,0,0,0|1,0,0]=3 1760 B11R1.230 COCCc1nc(sc1C)Br 7a_100010201174_200000210301 [0,2,0,0,0,0|2,0,0]=4 1761 B11R1.230 COCSc1sc(cc1C)C 62a_100000689295_100000766300 [0,2,0,0,0,0|2,0,0]=4 1762 B11R1.230 COCSc1sc(cc1C)C 62a_100000766300_100000689295 [0,2,0,0,0,0|2,0,0]=4 1763 B11R1.230 COCSc1sc(nc1C)C 62a_100000766300_100009814099 [0,2,0,0,0,0|1,0,0]=3 1764 B11R1.230 COCSc1sc(nc1C)C 62a_100009814099_100000766300 [0,2,0,0,0,0|1,0,0]=3 1765 B11R1.230 COCSc1sc(nc1C)N 62a_100000766300_100159269596 [0,2,0,0,0,0|1,0,0]=3 1766 B11R1.230 COCSc1sc(nc1C)N 62a_100159269596_100000766300 [0,2,0,0,0,0|1,0,0]=3 1767 B11R1.230 CSCSc1sc(nc1C)C 62a_100009814099_100011218213 [0,2,0,0,0,0|1,1,0]=4 1768 B11R1.230 CSCSc1sc(nc1C)C 62a_100011218213_100009814099 [0,2,0,0,0,0|1,1,0]=4 1769 B11R1.230 CSCSc1sc(nc1C)N 62a_100011218213_100159269596 [0,2,0,0,0,0|1,1,0]=4 1770 B11R1.230 CSCSc1sc(nc1C)N 62a_100159269596_100011218213 [0,2,0,0,0,0|1,1,0]=4 1771 B11R1.230 Cc1cc(c(s1)C)SCCO 62a_100000211926_100000688054 [0,2,0,0,0,0|2,0,0]=4 1772 B11R1.230 Cc1cc(c(s1)C)SCCO 62a_100000688054_100000211926 [0,2,0,0,0,0|2,0,0]=4 1773 B11R1.230 Cc1cc(c(s1)SCCF)C 62a_100000689295_100011217306 [0,2,0,0,0,0|2,0,0]=4 1774 B11R1.230 Cc1cc(c(s1)SCCF)C 62a_100011217306_100000689295 [0,2,0,0,0,0|2,0,0]=4 1775 B11R1.230 Cc1cc(c(s1)SCCO)C 62a_100000211926_100000689295 [0,2,0,0,0,0|1,0,0]=3 1776 B11R1.230 Cc1cc(c(s1)SCCO)C 62a_100000689295_100000211926 [0,2,0,0,0,0|1,0,0]=3 1777 B11R1.230 Cc1cc(n(n1)C)OCCO 34a_100000738638_100000211926 [0,2,0,0,0,0|2,0,0]=4 1778 B11R1.230 Cc1cc(n(n1)C)SCCO 62a_100000211926_100009818511 [0,2,0,0,0,0|2,0,0]=4 1779 B11R1.230 Cc1cc(n(n1)C)SCCO 62a_100009818511_100000211926 [0,2,0,0,0,0|2,0,0]=4 1780 B11R1.230 Cc1nc(c([nH]1)C)SCCO 62a_100000211926_200009820778 [0,2,0,0,0,0|1,0,1]=4 1781 B11R1.230 Cc1nc(c([nH]1)C)SCCO 62a_200009820778_100000211926 [0,2,0,0,0,0|1,0,1]=4 1782 B11R1.230 Cc1nc(c(s1)C)SCCO 62a_100000211926_100010270876 [0,2,0,0,0,0|2,0,0]=4 1783 B11R1.230 Cc1nc(c(s1)C)SCCO 62a_100010270876_100000211926 [0,2,0,0,0,0|2,0,0]=4 1784 B11R1.230 Cc1nc(c(s1)COCF)C 34a_100000750043_100015361967 [0,2,0,0,0,0|1,0,0]=3 1785 B11R1.230 Cc1nc(c(s1)COCF)C 7a_100000750043_100015361967 [0,2,0,0,0,0|1,0,0]=3 1786 B11R1.230 Cc1nc(c(s1)CSCF)Br 62a_100015361967_100015664652 [0,2,0,0,0,0|2,0,0]=4 1787 B11R1.230 Cc1nc(c(s1)CSCF)Br 62a_100015664652_100015361967 [0,2,0,0,0,0|2,0,0]=4 1788 B11R1.230 Cc1nc(c(s1)CSCF)C 62a_100000760948_100015361967 [0,2,0,0,0,0|1,0,0]=3 1789 B11R1.230 Cc1nc(c(s1)CSCF)C 62a_100015361967_100000760948 [0,2,0,0,0,0|1,0,0]=3 1790 B11R1.230 Cc1nc(c(s1)SCC#N)C 62a_100009814099_100011215382 [0,2,0,0,0,0|1,0,1]=4 1791 B11R1.230 Cc1nc(c(s1)SCC#N)C 62a_100011215382_100009814099 [0,2,0,0,0,0|1,0,1]=4 1792 B11R1.230 Cc1nc(c(s1)SCC=O)C 62a_100009814099_200015260668 [0,2,0,0,0,0|0,0,2]=4 1793 B11R1.230 Cc1nc(c(s1)SCC=O)C 62a_200015260668_100009814099 [0,2,0,0,0,0|0,0,2]=4 1794 B11R1.230 Cc1nc(c(s1)SCCF)C 62a_100009814099_100011217306 [0,2,0,0,0,0|1,0,0]=3 1795 B11R1.230 Cc1nc(c(s1)SCCF)C 62a_100011217306_100009814099 [0,2,0,0,0,0|1,0,0]=3 1796 B11R1.230 Cc1nc(c(s1)SCCO)C 62a_100000211926_100009814099 [0,2,0,0,0,0|0,0,0]=2 1797 B11R1.230 Cc1nc(c(s1)SCCO)C 62a_100009814099_100000211926 [0,2,0,0,0,0|0,0,0]=2 1798 B11R1.230 Cc1nc(sc1COCF)Br 7a_100010264302_100015361967 [0,2,0,0,0,0|1,0,0]=3 1799 B11R1.230 Cc1nc(sc1SCC#N)N 62a_100011215382_100159269596 [0,2,0,0,0,0|1,0,1]=4 1800 B11R1.230 Cc1nc(sc1SCC#N)N 62a_100159269596_100011215382 [0,2,0,0,0,0|1,0,1]=4 1801 B11R1.230 Cc1nc(sc1SCC=O)N 62a_100159269596_200015260668 [0,2,0,0,0,0|0,0,2]=4 1802 B11R1.230 Cc1nc(sc1SCC=O)N 62a_200015260668_100159269596 [0,2,0,0,0,0|0,0,2]=4 1803 B11R1.230 Cc1nc(sc1SCCF)N 62a_100011217306_100159269596 [0,2,0,0,0,0|1,0,0]=3 1804 B11R1.230 Cc1nc(sc1SCCF)N 62a_100159269596_100011217306 [0,2,0,0,0,0|1,0,0]=3 1805 B11R1.230 Cc1nc(sc1SCCO)N 62a_100000211926_100159269596 [0,2,0,0,0,0|0,0,0]=2 1806 B11R1.230 Cc1nc(sc1SCCO)N 62a_100159269596_100000211926 [0,2,0,0,0,0|0,0,0]=2 1807 B11R1.230 Cc1nn(cc1SCCO)C 62a_100000211926_100011996311 [0,2,0,0,0,0|2,0,0]=4 1808 B11R1.230 Cc1nn(cc1SCCO)C 62a_100011996311_100000211926 [0,2,0,0,0,0|2,0,0]=4 1809 B11R1.230 Cc1nn(nc1SCCO)C 62a_100000211926_200009884731 [0,2,0,0,0,0|2,0,0]=4 1810 B11R1.230 Cc1nn(nc1SCCO)C 62a_200009884731_100000211926 [0,2,0,0,0,0|2,0,0]=4 1811 B11R1.230 Cc1sc(nc1CCO[13CH3])Br 7a_100010201174_200025704644 [0,2,0,0,0,0|2,0,0]=4 1812 B11R1.230 Cc1sc(nc1SCCO)N 62a_100000211926_100009817509 [0,2,0,0,0,0|2,0,0]=4 1813 B11R1.230 Cc1sc(nc1SCCO)N 62a_100009817509_100000211926 [0,2,0,0,0,0|2,0,0]=4 1814 B11R1.230 Cn1nc(cc1SCCO)N 62a_100000211926_100116209741 [0,2,0,0,0,0|2,0,0]=4 1815 B11R1.230 Cn1nc(cc1SCCO)N 62a_100116209741_100000211926 [0,2,0,0,0,0|2,0,0]=4 1816 B11R1.230 FCOCc1sc(nc1Br)Br 7a_100010218989_100015361967 [0,2,0,0,0,0|2,0,0]=4 1817 B11R1.230 FCOCc1sc(nc1Cl)Cl 7a_100000721200_100015361967 [0,2,0,0,0,0|2,0,0]=4 1818 B11R1.465 COCCc1c(n[nH]c1C)C 34a_100000693165_200000210301 [0,2,0,0,0,0|2,0,0]=4 1819 B11R1.465 COCCc1c(n[nH]c1C)C 34a_100138415774_100011219447 [0,2,0,0,0,0|2,0,0]=4 1820 B11R1.465 COCCc1c(n[nH]c1C)C 7a_100000693165_200000210301 [0,2,0,0,0,0|2,0,0]=4 1821 B11R1.465 COCCc1c(noc1C)C 34a_200000044818_200000210301 [0,2,0,0,0,0|2,0,0]=4 1822 B11R1.465 COCCc1c(noc1C)C 7a_200000044818_200000210301 [0,2,0,0,0,0|2,0,0]=4 1823 B11R1.465 Cc1n[nH]c(c1CCO[13CH3])C 34a_100000693165_200025704644 [0,2,0,0,0,0|2,0,0]=4 1824 B11R1.465 Cc1n[nH]c(c1CCO[13CH3])C 7a_100000693165_200025704644 [0,2,0,0,0,0|2,0,0]=4 1825 B11R1.465 Cc1n[nH]c(c1OCCO)C 34a_100012186652_100000211926 [0,2,0,0,0,0|2,0,0]=4 1826 B11R1.465 Cc1n[nH]c(c1SCCO)C 62a_100000211926_100000238710 [0,2,0,0,0,0|2,0,0]=4 1827 B11R1.465 Cc1n[nH]c(c1SCCO)C 62a_100000238710_100000211926 [0,2,0,0,0,0|2,0,0]=4 1828 B11R1.465 Cc1n[nH]c(c1SCCO)N 62a_100000182022_100000211926 [0,2,0,0,0,0|2,0,0]=4 1829 B11R1.465 Cc1n[nH]c(c1SCCO)N 62a_100000211926_100000182022 [0,2,0,0,0,0|2,0,0]=4 1830 B11R1.465 Cc1nnn(c1SCCO)C 62a_100000211926_100016037793 [0,2,0,0,0,0|2,0,0]=4 1831 B11R1.465 Cc1nnn(c1SCCO)C 62a_100016037793_100000211926 [0,2,0,0,0,0|2,0,0]=4 1832 B11R1.465 Cc1noc(c1CCO[13CH3])C 34a_200000044818_200025704644 [0,2,0,0,0,0|2,0,0]=4 1833 B11R1.465 Cc1noc(c1CCO[13CH3])C 7a_200000044818_200025704644 [0,2,0,0,0,0|2,0,0]=4 1834 B11R1.465 Cc1noc(c1SCCO)C 62a_100000211926_100000694658 [0,2,0,0,0,0|2,0,0]=4 1835 B11R1.465 Cc1noc(c1SCCO)C 62a_100000694658_100000211926 [0,2,0,0,0,0|2,0,0]=4 1836 B11R1.465 Cc1noc(c1SCCO)N 62a_100000211926_100000754107 [0,2,0,0,0,0|2,0,0]=4 1837 B11R1.465 Cc1noc(c1SCCO)N 62a_100000754107_100000211926 [0,2,0,0,0,0|2,0,0]=4 1838 B11R1.465 Cc1nsc(c1SCCO)N 62a_100000211926_100000701153 [0,2,0,0,0,0|2,0,0]=4 1839 B11R1.465 Cc1nsc(c1SCCO)N 62a_100000701153_100000211926 [0,2,0,0,0,0|2,0,0]=4 1840 B11R1.105 Cc1ncsc1SC(C)(C)C 62a_100000211941_100009817116 [0,2,0,0,0,0|2,0,0]=4 1841 B11R1.105 Cc1ncsc1SC(C)(C)C 62a_100009817116_100000211941 [0,2,0,0,0,0|2,0,0]=4 1842 B11R1.105 Cc1ncsc1SC(F)(F)F 62a_100009817116_200103152311 [0,2,0,0,0,0|2,0,0]=4 1843 B11R1.105 Cc1ncsc1SC(F)(F)F 62a_200000243211_100009817116 [0,2,0,0,0,0|2,0,0]=4 1844 B11R1.645 CC(=O)Cc1sc(nc1C)C 1458a_100000070787_100000760948 [0,2,0,0,0,0|0,0,2]=4 1845 B11R1.645 CC(=O)Cc1sc(nc1C)C 1458a_100025788167_200000210301 [0,2,0,0,0,0|0,0,2]=4 1846 B11R1.645 Cc1nc(c(s1)CC(=O)[13CH3])C 1458a_100025788167_200025704644 [0,2,0,0,0,0|0,0,2]=4 1847 B11R1.645 Cc1nc(c(s1)CN(C)C)C 2230a_100102631434_100000760948 [0,2,0,0,0,0|2,0,0]=4 1848 B11R1.645 Cc1nc(c(s1)CN(C)C)C 269982a_100102631434_100000760948 [0,2,0,0,0,0|2,0,0]=4 1849 B11R1.645 Cc1nc(c(s1)SC(C)C)C 62a_100000210206_100009814099 [0,2,0,0,0,0|2,0,0]=4 1850 B11R1.645 Cc1nc(c(s1)SC(C)C)C 62a_100009814099_100000210206 [0,2,0,0,0,0|2,0,0]=4 1851 B11R1.645 Cc1nc(sc1SC(C)C)N 62a_100000210206_100159269596 [0,2,0,0,0,0|2,0,0]=4 1852 B11R1.645 Cc1nc(sc1SC(C)C)N 62a_100159269596_100000210206 [0,2,0,0,0,0|2,0,0]=4 1853 B11R1.185 C=Cc1nc(c(s1)C)CCO 271570a_100011290941_100010201174 [0,2,0,0,0,0|2,0,0]=4 1854 B11R1.185 CCSc1sc(nc1C)CC 62a_100000210202_100010138847 [0,2,0,0,0,0|2,0,0]=4 1855 B11R1.185 CCSc1sc(nc1C)CC 62a_100010138847_100000210202 [0,2,0,0,0,0|2,0,0]=4 1856 B11R1.185 CCc1nc(c(s1)CNC)C 2230a_100015186448_200000210301 [0,2,0,0,0,0|2,0,0]=4 1857 B11R1.185 CCc1nc(c(s1)CN[13CH3])C 2230a_100015186448_200025704644 [0,2,0,0,0,0|2,0,0]=4 1858 B11R1.185 CCc1nc(c(s1)SCF)C 62a_100010138847_100015361967 [0,2,0,0,0,0|2,0,0]=4 1859 B11R1.185 CCc1nc(c(s1)SCF)C 62a_100015361967_100010138847 [0,2,0,0,0,0|2,0,0]=4 1860 B11R1.185 CNc1nc(c(s1)C)CCO 27a_100102657272_100010201174 [0,2,0,0,0,0|2,0,0]=4 1861 B11R1.185 CSc1nc(c(s1)C)CCO 62a_100010201174_200000210301 [0,2,0,0,0,0|2,0,0]=4 1862 B11R1.185 CSc1nc(c(s1)C)CCO 62a_200000210301_100010201174 [0,2,0,0,0,0|2,0,0]=4 1863 B11R1.185 Cc1sc(nc1CCO)S[13CH3] 62a_100010201174_200025704644 [0,2,0,0,0,0|2,0,0]=4 1864 B11R1.185 Cc1sc(nc1CCO)S[13CH3] 62a_200025704644_100010201174 [0,2,0,0,0,0|2,0,0]=4 1865 B9R2.2 c1csc(c1)C2CC2 271570a_100011220607_100011215356 [1,0,0,1,0,0|2,0,0]=4 1866 B9R2.2 c1ncc(o1)C2CC2 271570a_100011220607_100020591547 [1,0,0,1,0,0|1,1,0]=4 1867 B9R2.2 c1ncc(s1)C2CC2 271570a_100011220607_100011934649 [1,0,0,1,0,0|1,0,0]=3 1868 B9R2.2 c1nnc(s1)C2CC2 271570a_100011220607_100000739804 [1,0,0,1,0,0|2,0,0]=4 1869 B11R2.55 Cc1cnccc1C2CC2 271570a_100011220607_100015191297 [0,0,0,1,0,1|2,0,0]=4 1870 B11R2.55 Cc1cncnc1C2CC2 271570a_100011220607_100011998708 [0,0,0,1,0,1|2,0,0]=4 1871 B11R2.55 Cc1ncccc1C2CC2 271570a_100011220607_100000751574 [0,0,0,1,0,1|2,0,0]=4 1872 B11R2.55 Cc1nccnc1C2CC2 271570a_100011220607_100011999405 [0,0,0,1,0,1|2,0,0]=4 1873 B11R2.55 Cc1ncncc1C2CC2 271570a_100011220607_100009819671 [0,0,0,1,0,1|2,0,0]=4 1874 B11R2.35 Cc1cc(ccn1)C2CC2 271570a_100011220607_100000758586 [0,0,0,1,0,1|2,0,0]=4 1875 B11R2.35 Cc1cc(ncn1)C2CC2 271570a_100011220607_100000744208 [0,0,0,1,0,1|2,0,0]=4 1876 B11R2.35 Cc1nccc(n1)C2CC2 271570a_100011220607_100000749937 [0,0,0,1,0,1|2,0,0]=4 1877 B11R2.36 Oc1cc2c(cn1)OCC2 271570a_203496583355_102495363667 [0,0,0,1,0,1|2,0,0]=4 1878 B11R2.216 CCc1ccsc1C2CC2 271570a_100011220607_200009875468 [0,1,0,1,0,0|2,0,0]=4 1879 B11R2.216 NCc1ccsc1C2CC2 271570a_100011220607_100000727803 [0,1,0,1,0,0|2,0,0]=4 1880 B11R2.216 OCc1ccsc1C2CC2 271570a_100011220607_100009816922 [0,1,0,1,0,0|2,0,0]=4 1881 B11R2.115 Cc1ccsc1SC2CC2 62a_100010247149_100000211595 [0,1,0,1,0,0|2,0,0]=4 1882 B11R2.115 Cc1ncsc1SC2CC2 62a_100009817116_100000211595 [0,1,0,1,0,0|1,0,0]=3 1883 B11R2.356 Cc1cc(c(s1)C2CC2)C 271570a_100011220607_100000689295 [0,1,0,1,0,0|2,0,0]=4 1884 B11R2.356 Cc1nc(c(s1)C2CC2)C 271570a_100011220607_100009814099 [0,1,0,1,0,0|1,0,0]=3