0 B9R1.11 CC(N[13CH3])c1cccs1 2230a_100000703493_200025704644 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.11 CC(N[13CH3])c1nccs1 2230a_100000725601_200025704644 [0,0,0,0,0,0|2,0,1]=3 2 B9R1.11 CC(O[13CH3])c1nccs1 7a_100000751044_200025704644 [0,0,0,0,0,0|2,0,1]=3 3 B9R1.11 CCC(=O)C1=CCCC1 1458a_100000038896_100000210202 [0,0,0,0,0,0|2,0,2]=4 4 B9R1.11 CCC(=O)C1=CCOC1 1458a_100000139269_100000210202 [0,0,0,0,0,0|3,0,1]=4 5 B9R1.11 CCC(=O)C1=COCC1 1458a_100000750620_100000210202 [0,0,0,0,0,0|3,0,1]=4 6 B9R1.11 CCC(=O)C1CC=CC1 1458a_100000759439_100000210202 [0,0,0,0,0,0|2,0,1]=3 7 B9R1.11 CCC(=O)C1CCCS1 1458a_100012002731_100000210202 [0,0,0,0,0,0|1,0,3]=4 8 B9R1.11 CCC(=O)N1CC=CC1 1626a_100015195280_100000210414 [0,0,0,0,0,0|3,0,0]=3 9 B9R1.11 CCC(=O)N1CC=CC1 240690a_100015195280_100000210414 [0,0,0,0,0,0|3,0,0]=3 10 B9R1.11 CNC(=O)C1CC=CC1 11a_106832991635_100000759439 [0,0,0,0,0,0|3,0,1]=4 11 B9R1.11 CNC(=O)C1CC=CC1 1626a_100102657272_100000759439 [0,0,0,0,0,0|3,0,1]=4 12 B9R1.11 CNC(=O)C1CC=CC1 240690a_100102657272_100000759439 [0,0,0,0,0,0|3,0,1]=4 13 B9R1.11 CNC(=O)C1CC=CC1 527a_100102657272_100000759439 [0,0,0,0,0,0|3,0,1]=4 14 B9R1.11 CNC(=O)N1CC=CC1 2708a_100102657272_100015195280 [0,0,0,0,0,0|4,0,0]=4 15 B9R1.11 CNC(=O)N1CC=CC1 273464a_100102657272_100015195280 [0,0,0,0,0,0|4,0,0]=4 16 B9R1.11 CNC(C)c1cccs1 2230a_100000703493_200000210301 [0,0,0,0,0,0|3,0,1]=4 17 B9R1.11 CNC(C)c1cccs1 269862a_106832991636_100000185736 [0,0,0,0,0,0|3,0,1]=4 18 B9R1.11 CNC(C)c1ncc[nH]1 269862a_106832991636_100000718901 [0,0,0,0,0,0|3,0,1]=4 19 B9R1.11 CNC(C)c1nccs1 2230a_100000725601_200000210301 [0,0,0,0,0,0|2,0,1]=3 20 B9R1.11 COC(C)c1nccs1 7a_100000751044_200000210301 [0,0,0,0,0,0|2,0,1]=3 21 B9R1.11 CO[C@H](C)c1cccs1 7a_100000750433_200000210301 [0,0,0,0,0,0|3,0,1]=4 22 B9R1.11 C[C@@H](O[13CH3])c1cccs1 7a_100000750433_200025704644 [0,0,0,0,0,0|3,0,1]=4 23 B9R1.11 O=C(CF)C1CC=CC1 1458a_100000759439_100015361967 [0,0,0,0,0,0|3,0,1]=4 24 B9R1.11 O=C(CO)N1CC=CC1 240690a_100015195280_100000210174 [0,0,0,0,0,0|4,0,0]=4 25 B8R1.7 C=C(C)c1c[nH]cn1 271570a_100000694244_100000756875 [1,0,0,0,0,0|3,0,0]=4 26 B8R1.7 C=C(C)c1cc[nH]n1 271570a_100000694244_100000062575 [1,0,0,0,0,0|3,0,0]=4 27 B8R1.7 C=C(C)c1ccco1 271570a_100000694244_100009814098 [1,0,0,0,0,0|2,1,0]=4 28 B8R1.7 C=C(C)c1cccs1 271570a_100000694244_100011215356 [1,0,0,0,0,0|2,0,0]=3 29 B8R1.7 C=C(C)c1ccsn1 271570a_100000694244_100009818082 [1,0,0,0,0,0|3,0,0]=4 30 B8R1.7 C=C(C)c1cncs1 271570a_100000694244_100011934649 [1,0,0,0,0,0|3,0,0]=4 31 B8R1.7 C=C(C)c1cscn1 271570a_100000694244_100000751502 [1,0,0,0,0,0|3,0,0]=4 32 B8R1.7 C=C(C)c1nc[nH]n1 271570a_100000694244_100000761765 [1,0,0,0,0,0|3,0,0]=4 33 B8R1.7 C=C(C)c1ncc[nH]1 271570a_100000694244_100025796157 [1,0,0,0,0,0|2,0,0]=3 34 B8R1.7 C=C(C)c1ncco1 271570a_100000694244_100011787736 [1,0,0,0,0,0|1,1,0]=3 35 B8R1.7 C=C(C)c1nccs1 271570a_100000694244_100000211983 [1,0,0,0,0,0|1,0,0]=2 36 B8R1.7 C=C(C)c1ncns1 271570a_100000694244_100000693119 [1,0,0,0,0,0|2,0,0]=3 37 B8R1.7 C=C(C)c1nncs1 271570a_100000694244_100000739804 [1,0,0,0,0,0|2,0,0]=3 38 B8R1.7 CC(=O)C1CC=CC1 1458a_100000759439_200000210301 [1,0,0,0,0,0|2,0,1]=4 39 B8R1.7 CC(=O)N1CC=CC1 1626a_100015195280_100015343762 [1,0,0,0,0,0|3,0,0]=4 40 B8R1.7 CC(=O)N1CC=CC1 240690a_100015195280_100015343762 [1,0,0,0,0,0|3,0,0]=4 41 B8R1.7 CN(C)c1ncns1 27a_100102631434_100000693119 [1,0,0,0,0,0|3,0,0]=4 42 B8R1.7 CN(C)c1nncs1 27a_100102631434_100000739804 [1,0,0,0,0,0|3,0,0]=4 43 B8R1.7 [13CH3]C(=O)C1CC=CC1 1458a_100000759439_200025704644 [1,0,0,0,0,0|2,0,1]=4 44 B8R1.8 C=C=Cc1cccs1 271570a_100015277604_100011215356 [1,0,0,0,0,0|1,0,2]=4 45 B8R1.8 C=C=Cc1ncc[nH]1 271570a_100015277604_100025796157 [1,0,0,0,0,0|1,0,2]=4 46 B8R1.8 C=C=Cc1ncco1 271570a_100015277604_100011787736 [1,0,0,0,0,0|0,1,2]=4 47 B8R1.8 C=C=Cc1nccs1 271570a_100015277604_100000211983 [1,0,0,0,0,0|0,0,2]=3 48 B8R1.8 C=C=Cc1ncns1 271570a_100015277604_100000693119 [1,0,0,0,0,0|1,0,2]=4 49 B8R1.8 C=C=Cc1nncs1 271570a_100015277604_100000739804 [1,0,0,0,0,0|1,0,2]=4 50 B8R1.8 CC=Cc1c[nH]cn1 271570a_100016259895_100000756875 [1,0,0,0,0,0|2,0,1]=4 51 B8R1.8 CC=Cc1cc[nH]n1 271570a_100016259895_100000062575 [1,0,0,0,0,0|2,0,1]=4 52 B8R1.8 CC=Cc1ccco1 271570a_100016259895_100009814098 [1,0,0,0,0,0|1,1,1]=4 53 B8R1.8 CC=Cc1cccs1 271570a_100016259895_100011215356 [1,0,0,0,0,0|1,0,1]=3 54 B8R1.8 CC=Cc1ccsn1 271570a_100016259895_100009818082 [1,0,0,0,0,0|2,0,1]=4 55 B8R1.8 CC=Cc1cncs1 271570a_100016259895_100011934649 [1,0,0,0,0,0|2,0,1]=4 56 B8R1.8 CC=Cc1cscn1 271570a_100016259895_100000751502 [1,0,0,0,0,0|2,0,1]=4 57 B8R1.8 CC=Cc1nc[nH]n1 271570a_100016259895_100000761765 [1,0,0,0,0,0|2,0,1]=4 58 B8R1.8 CC=Cc1ncc[nH]1 271570a_100016259895_100025796157 [1,0,0,0,0,0|1,0,1]=3 59 B8R1.8 CC=Cc1ncco1 271570a_100016259895_100011787736 [1,0,0,0,0,0|0,1,1]=3 60 B8R1.8 CC=Cc1nccs1 271570a_100016259895_100000211983 [1,0,0,0,0,0|0,0,1]=2 61 B8R1.8 CC=Cc1ncns1 271570a_100016259895_100000693119 [1,0,0,0,0,0|1,0,1]=3 62 B8R1.8 CC=Cc1nncs1 271570a_100016259895_100000739804 [1,0,0,0,0,0|1,0,1]=3 63 B8R1.8 CCNc1ncns1 27a_100015525214_100000693119 [1,0,0,0,0,0|2,0,0]=3 64 B8R1.8 CCNc1nncs1 27a_100015525214_100000739804 [1,0,0,0,0,0|2,0,0]=3 65 B8R1.8 CCSc1c[nH]cn1 62a_100000210202_100000756875 [1,0,0,0,0,0|3,0,0]=4 66 B8R1.8 CCSc1c[nH]cn1 62a_100000756875_100000210202 [1,0,0,0,0,0|3,0,0]=4 67 B8R1.8 CCSc1cc[nH]n1 62a_100000062575_100000210202 [1,0,0,0,0,0|3,0,0]=4 68 B8R1.8 CCSc1cc[nH]n1 62a_100000210202_100000062575 [1,0,0,0,0,0|3,0,0]=4 69 B8R1.8 CCSc1ccco1 62a_100000210202_100009814098 [1,0,0,0,0,0|2,1,0]=4 70 B8R1.8 CCSc1ccco1 62a_100009814098_100000210202 [1,0,0,0,0,0|2,1,0]=4 71 B8R1.8 CCSc1cccs1 62a_100000210202_100011215356 [1,0,0,0,0,0|2,0,0]=3 72 B8R1.8 CCSc1cccs1 62a_100011215356_100000210202 [1,0,0,0,0,0|2,0,0]=3 73 B8R1.8 CCSc1ccon1 62a_100000210202_100009818083 [1,0,0,0,0,0|3,0,0]=4 74 B8R1.8 CCSc1ccon1 62a_100009818083_100000210202 [1,0,0,0,0,0|3,0,0]=4 75 B8R1.8 CCSc1ccsn1 62a_100000210202_100009818082 [1,0,0,0,0,0|3,0,0]=4 76 B8R1.8 CCSc1ccsn1 62a_100009818082_100000210202 [1,0,0,0,0,0|3,0,0]=4 77 B8R1.8 CCSc1cncs1 62a_100000210202_100011934649 [1,0,0,0,0,0|3,0,0]=4 78 B8R1.8 CCSc1cncs1 62a_100011934649_100000210202 [1,0,0,0,0,0|3,0,0]=4 79 B8R1.8 CCSc1cscn1 62a_100000210202_100000751502 [1,0,0,0,0,0|3,0,0]=4 80 B8R1.8 CCSc1cscn1 62a_100000751502_100000210202 [1,0,0,0,0,0|3,0,0]=4 81 B8R1.8 CCSc1nc[nH]n1 62a_100000210202_100000761765 [1,0,0,0,0,0|3,0,0]=4 82 B8R1.8 CCSc1nc[nH]n1 62a_100000761765_100000210202 [1,0,0,0,0,0|3,0,0]=4 83 B8R1.8 CCSc1ncc[nH]1 62a_100000210202_100025796157 [1,0,0,0,0,0|2,0,0]=3 84 B8R1.8 CCSc1ncc[nH]1 62a_100025796157_100000210202 [1,0,0,0,0,0|2,0,0]=3 85 B8R1.8 CCSc1ncco1 62a_100000210202_100011787736 [1,0,0,0,0,0|1,1,0]=3 86 B8R1.8 CCSc1ncco1 62a_100011787736_100000210202 [1,0,0,0,0,0|1,1,0]=3 87 B8R1.8 CCSc1nccs1 62a_100000210202_100000211983 [1,0,0,0,0,0|1,0,0]=2 88 B8R1.8 CCSc1nccs1 62a_100000211983_100000210202 [1,0,0,0,0,0|1,0,0]=2 89 B8R1.8 CCSc1ncns1 62a_100000210202_100000693119 [1,0,0,0,0,0|2,0,0]=3 90 B8R1.8 CCSc1ncns1 62a_100000693119_100000210202 [1,0,0,0,0,0|2,0,0]=3 91 B8R1.8 CCSc1nncs1 62a_100000210202_100000739804 [1,0,0,0,0,0|2,0,0]=3 92 B8R1.8 CCSc1nncs1 62a_100000739804_100000210202 [1,0,0,0,0,0|2,0,0]=3 93 B8R1.8 CNCc1cccs1 207a_100102657272_100000209959 [1,0,0,0,0,0|2,0,1]=4 94 B8R1.8 CNCc1cccs1 2230a_100000211653_200000210301 [1,0,0,0,0,0|2,0,1]=4 95 B8R1.8 CNCc1cccs1 270004a_106832991635_100000209959 [1,0,0,0,0,0|2,0,1]=4 96 B8R1.8 CNCc1ncc[nH]1 207a_100102657272_100000743867 [1,0,0,0,0,0|2,0,1]=4 97 B8R1.8 CNCc1ncc[nH]1 2230a_106832991635_100016991755 [1,0,0,0,0,0|2,0,1]=4 98 B8R1.8 CNCc1ncc[nH]1 34a_100102657272_100016991755 [1,0,0,0,0,0|2,0,1]=4 99 B8R1.8 CNCc1ncc[nH]1 7a_106832991635_100000753453 [1,0,0,0,0,0|2,0,1]=4 100 B8R1.8 CNCc1ncco1 2230a_100016994969_200000210301 [1,0,0,0,0,0|1,1,1]=4 101 B8R1.8 CNCc1ncco1 2230a_106832991635_103436540062 [1,0,0,0,0,0|1,1,1]=4 102 B8R1.8 CNCc1ncco1 270004a_106832991635_100000064290 [1,0,0,0,0,0|1,1,1]=4 103 B8R1.8 CNCc1ncco1 34a_100102657272_103436540062 [1,0,0,0,0,0|1,1,1]=4 104 B8R1.8 CNCc1ncco1 7a_106832991635_103436540062 [1,0,0,0,0,0|1,1,1]=4 105 B8R1.8 CNCc1nccs1 207a_100102657272_100000750902 [1,0,0,0,0,0|1,0,1]=3 106 B8R1.8 CNCc1nccs1 2230a_100000740555_200000210301 [1,0,0,0,0,0|1,0,1]=3 107 B8R1.8 CNCc1nccs1 2230a_106832991635_100015184050 [1,0,0,0,0,0|1,0,1]=3 108 B8R1.8 CNCc1nccs1 270004a_106832991635_100000750902 [1,0,0,0,0,0|1,0,1]=3 109 B8R1.8 CNCc1nccs1 34a_100102657272_100015184050 [1,0,0,0,0,0|1,0,1]=3 110 B8R1.8 CNCc1nccs1 7a_106832991635_100015184050 [1,0,0,0,0,0|1,0,1]=3 111 B8R1.8 COCc1cccs1 34a_100000211240_200000210301 [1,0,0,0,0,0|2,0,1]=4 112 B8R1.8 COCc1ncc[nH]1 34a_100138415774_100016991755 [1,0,0,0,0,0|2,0,1]=4 113 B8R1.8 COCc1ncco1 34a_100000062594_200000210301 [1,0,0,0,0,0|1,1,1]=4 114 B8R1.8 COCc1ncco1 34a_100138415774_103436540062 [1,0,0,0,0,0|1,1,1]=4 115 B8R1.8 COCc1nccs1 34a_100138415774_100015184050 [1,0,0,0,0,0|1,0,1]=3 116 B8R1.8 CSCc1ncc[nH]1 62a_100016991755_200000210301 [1,0,0,0,0,0|2,0,1]=4 117 B8R1.8 CSCc1ncc[nH]1 62a_200000210301_100016991755 [1,0,0,0,0,0|2,0,1]=4 118 B8R1.8 CSCc1ncco1 62a_103436540062_200000210301 [1,0,0,0,0,0|1,1,1]=4 119 B8R1.8 CSCc1ncco1 62a_200000210301_103436540062 [1,0,0,0,0,0|1,1,1]=4 120 B8R1.8 CSCc1nccs1 62a_100015184050_200000210301 [1,0,0,0,0,0|1,0,1]=3 121 B8R1.8 CSCc1nccs1 62a_200000210301_100015184050 [1,0,0,0,0,0|1,0,1]=3 122 B8R1.8 FCSc1cccs1 62a_100011215356_100015361967 [1,0,0,0,0,0|3,0,0]=4 123 B8R1.8 FCSc1cccs1 62a_100015361967_100011215356 [1,0,0,0,0,0|3,0,0]=4 124 B8R1.8 FCSc1ncc[nH]1 62a_100015361967_100025796157 [1,0,0,0,0,0|3,0,0]=4 125 B8R1.8 FCSc1ncc[nH]1 62a_100025796157_100015361967 [1,0,0,0,0,0|3,0,0]=4 126 B8R1.8 FCSc1ncco1 62a_100011787736_100015361967 [1,0,0,0,0,0|2,1,0]=4 127 B8R1.8 FCSc1ncco1 62a_100015361967_100011787736 [1,0,0,0,0,0|2,1,0]=4 128 B8R1.8 FCSc1nccs1 62a_100000211983_100015361967 [1,0,0,0,0,0|2,0,0]=3 129 B8R1.8 FCSc1nccs1 62a_100015361967_100000211983 [1,0,0,0,0,0|2,0,0]=3 130 B8R1.8 FCSc1ncns1 62a_100000693119_100015361967 [1,0,0,0,0,0|3,0,0]=4 131 B8R1.8 FCSc1ncns1 62a_100015361967_100000693119 [1,0,0,0,0,0|3,0,0]=4 132 B8R1.8 FCSc1nncs1 62a_100000739804_100015361967 [1,0,0,0,0,0|3,0,0]=4 133 B8R1.8 FCSc1nncs1 62a_100015361967_100000739804 [1,0,0,0,0,0|3,0,0]=4 134 B8R1.8 [13CH3]NCc1cccs1 2230a_100000211653_200025704644 [1,0,0,0,0,0|2,0,1]=4 135 B8R1.8 [13CH3]NCc1ncco1 2230a_100016994969_200025704644 [1,0,0,0,0,0|1,1,1]=4 136 B8R1.8 [13CH3]NCc1nccs1 2230a_100000740555_200025704644 [1,0,0,0,0,0|1,0,1]=3 137 B8R1.8 [13CH3]OCc1cccs1 34a_100000211240_200025704644 [1,0,0,0,0,0|2,0,1]=4 138 B8R1.8 [13CH3]OCc1ncco1 34a_100000062594_200025704644 [1,0,0,0,0,0|1,1,1]=4 139 B8R1.8 [13CH3]SCc1ncc[nH]1 62a_100016991755_200025704644 [1,0,0,0,0,0|2,0,1]=4 140 B8R1.8 [13CH3]SCc1ncc[nH]1 62a_200025704644_100016991755 [1,0,0,0,0,0|2,0,1]=4 141 B8R1.8 [13CH3]SCc1ncco1 62a_103436540062_200025704644 [1,0,0,0,0,0|1,1,1]=4 142 B8R1.8 [13CH3]SCc1ncco1 62a_200025704644_103436540062 [1,0,0,0,0,0|1,1,1]=4 143 B8R1.8 [13CH3]SCc1nccs1 62a_100015184050_200025704644 [1,0,0,0,0,0|1,0,1]=3 144 B8R1.8 [13CH3]SCc1nccs1 62a_200025704644_100015184050 [1,0,0,0,0,0|1,0,1]=3 145 B10R1.6 CC(C)(O[13CH3])c1nccs1 7a_200009882240_200025704644 [0,1,0,0,0,0|2,0,1]=4 146 B10R1.6 CNS(=O)(=O)c1cccs1 270084a_100102657272_100000205146 [0,1,0,0,0,0|3,0,0]=4 147 B10R1.6 CNS(=O)(=O)c1cccs1 274078a_100102657272_100000205146 [0,1,0,0,0,0|3,0,0]=4 148 B10R1.6 CNS(=O)(=O)c1cccs1 40a_100102657272_200000102146 [0,1,0,0,0,0|3,0,0]=4 149 B10R1.6 COC(C)(C)c1nccs1 7a_200009882240_200000210301 [0,1,0,0,0,0|2,0,1]=4 150 B10R1.9 CCC(NC)c1cccs1 2230a_100000743277_200000210301 [0,1,0,0,0,0|2,0,1]=4 151 B10R1.9 CCC(NC)c1cccs1 269862a_106832991636_100000211688 [0,1,0,0,0,0|2,0,1]=4 152 B10R1.9 CCC(NC)c1nccs1 2230a_103436540099_200000210301 [0,1,0,0,0,0|1,0,1]=3 153 B10R1.9 CCC(NC)c1nccs1 269862a_106832991636_100000031915 [0,1,0,0,0,0|1,0,1]=3 154 B10R1.9 CCC(N[13CH3])c1cccs1 2230a_100000743277_200025704644 [0,1,0,0,0,0|2,0,1]=4 155 B10R1.9 CCC(N[13CH3])c1nccs1 2230a_103436540099_200025704644 [0,1,0,0,0,0|1,0,1]=3 156 B10R1.9 CCN(CC)c1ncns1 27a_100000724800_100000693119 [0,1,0,0,0,0|3,0,0]=4 157 B10R1.9 CCN(CC)c1nncs1 27a_100000724800_100000739804 [0,1,0,0,0,0|3,0,0]=4 158 B10R1.9 CN[C@@H](CO)c1nccs1 2230a_202495363701_200000210301 [0,1,0,0,0,0|1,0,2]=4 159 B10R1.9 [13CH3]N[C@@H](CO)c1nccs1 2230a_202495363701_200025704644 [0,1,0,0,0,0|1,0,2]=4 160 B10R1.11 CC(OCF)c1nccs1 7a_100000751044_100015361967 [0,1,0,0,0,0|2,0,1]=4 161 B10R1.11 CCCC(=O)C1CC=CC1 1458a_100000759439_100000210303 [0,1,0,0,0,0|2,0,1]=4 162 B10R1.11 CCCC(=O)N1CC=CC1 1626a_100015195280_100000211992 [0,1,0,0,0,0|3,0,0]=4 163 B10R1.11 CCCC(=O)N1CC=CC1 240690a_100015195280_100000211992 [0,1,0,0,0,0|3,0,0]=4 164 B10R1.11 CCCN(C)c1ncns1 27a_100000747261_100000693119 [0,1,0,0,0,0|3,0,0]=4 165 B10R1.11 CCCN(C)c1nncs1 27a_100000747261_100000739804 [0,1,0,0,0,0|3,0,0]=4 166 B10R1.11 CCNC(=O)C1CC=CC1 11a_100015525214_100000759439 [0,1,0,0,0,0|2,0,1]=4 167 B10R1.11 CCNC(=O)C1CC=CC1 240690a_100015525214_100000759439 [0,1,0,0,0,0|2,0,1]=4 168 B10R1.11 CCNC(=O)C1CC=CC1 527a_100015525214_100000759439 [0,1,0,0,0,0|2,0,1]=4 169 B10R1.11 CCNC(=O)N1CC=CC1 2708a_100015525214_100015195280 [0,1,0,0,0,0|3,0,0]=4 170 B10R1.11 CCNC(=O)N1CC=CC1 273464a_100015525214_100015195280 [0,1,0,0,0,0|3,0,0]=4 171 B10R1.11 CCNC(C)c1cccs1 2230a_100000703493_100000210202 [0,1,0,0,0,0|2,0,1]=4 172 B10R1.11 CCNC(C)c1cccs1 269862a_100015525214_100000185736 [0,1,0,0,0,0|2,0,1]=4 173 B10R1.11 CCNC(C)c1ncc[nH]1 269862a_100015525214_100000718901 [0,1,0,0,0,0|2,0,1]=4 174 B10R1.11 CCNC(C)c1nccs1 2230a_100000725601_100000210202 [0,1,0,0,0,0|1,0,1]=3 175 B10R1.11 CCOC(C)c1nccs1 7a_100000751044_100000210202 [0,1,0,0,0,0|1,0,1]=3 176 B10R1.11 CCO[C@H](C)c1cccs1 7a_100000750433_100000210202 [0,1,0,0,0,0|2,0,1]=4 177 B10R1.11 CN(CCO)c1ncns1 27a_100000210263_100000693119 [0,1,0,0,0,0|3,0,0]=4 178 B10R1.11 CN(CCO)c1nncs1 27a_100000210263_100000739804 [0,1,0,0,0,0|3,0,0]=4 179 B10R1.11 CNCC(=O)c1ccc[nH]1 7a_106832991635_200011262396 [0,1,0,0,0,0|1,0,1]=3 180 B10R1.11 CNCC(=O)c1ccco1 7a_106832991635_100000211439 [0,1,0,0,0,0|1,1,0]=3 181 B10R1.11 CNCC(=O)c1cccs1 2230a_106832991635_100000211436 [0,1,0,0,0,0|1,0,0]=2 182 B10R1.11 CNCC(=O)c1cccs1 7a_106832991635_100000211436 [0,1,0,0,0,0|1,0,0]=2 183 B10R1.11 CNCC(=O)c1ccsc1 2230a_106832991635_100011219462 [0,1,0,0,0,0|3,0,0]=4 184 B10R1.11 CNCC(=O)c1ccsc1 34a_100102657272_100011219462 [0,1,0,0,0,0|3,0,0]=4 185 B10R1.11 CNCC(=O)c1ccsc1 7a_106832991635_100011219462 [0,1,0,0,0,0|3,0,0]=4 186 B10R1.11 CNCC(=O)c1nccs1 7a_106832991635_100000718653 [0,1,0,0,0,0|0,0,0]=1 187 B10R1.11 CNCC(=O)n1cccn1 2230a_106832991635_100000077511 [0,1,0,0,0,0|2,0,0]=3 188 B10R1.11 CNCC(=O)n1cccn1 7a_106832991635_100000077511 [0,1,0,0,0,0|2,0,0]=3 189 B10R1.11 COCC(=O)N1CC=CC1 1626a_100015195280_100000210968 [0,1,0,0,0,0|3,0,0]=4 190 B10R1.11 COCC(=O)N1CC=CC1 240690a_100015195280_100000210968 [0,1,0,0,0,0|3,0,0]=4 191 B10R1.11 COCC(=O)c1ccsc1 34a_100138415774_100011219462 [0,1,0,0,0,0|3,0,0]=4 192 B10R1.11 COCC(N)c1cccs1 34a_100102422791_200000210301 [0,1,0,0,0,0|2,0,1]=4 193 B10R1.11 CSCC(=O)N1CC=CC1 1626a_100015195280_100000184570 [0,1,0,0,0,0|3,0,0]=4 194 B10R1.11 CSCC(=O)N1CC=CC1 240690a_100015195280_100000184570 [0,1,0,0,0,0|3,0,0]=4 195 B10R1.11 CSCC(=O)c1ccc[nH]1 62a_200000210301_200011262396 [0,1,0,0,0,0|1,0,1]=3 196 B10R1.11 CSCC(=O)c1ccc[nH]1 62a_200011262396_200000210301 [0,1,0,0,0,0|1,0,1]=3 197 B10R1.11 CSCC(=O)c1ccco1 62a_100000211439_200000210301 [0,1,0,0,0,0|1,1,0]=3 198 B10R1.11 CSCC(=O)c1ccco1 62a_200000210301_100000211439 [0,1,0,0,0,0|1,1,0]=3 199 B10R1.11 CSCC(=O)c1cccs1 62a_100000211436_200000210301 [0,1,0,0,0,0|1,0,0]=2 200 B10R1.11 CSCC(=O)c1cccs1 62a_200000210301_100000211436 [0,1,0,0,0,0|1,0,0]=2 201 B10R1.11 CSCC(=O)c1ccsc1 62a_100011219462_200000210301 [0,1,0,0,0,0|3,0,0]=4 202 B10R1.11 CSCC(=O)c1ccsc1 62a_200000210301_100011219462 [0,1,0,0,0,0|3,0,0]=4 203 B10R1.11 CSCC(=O)c1nccs1 62a_100000718653_200000210301 [0,1,0,0,0,0|0,0,0]=1 204 B10R1.11 CSCC(=O)c1nccs1 62a_200000210301_100000718653 [0,1,0,0,0,0|0,0,0]=1 205 B10R1.11 CSCC(=O)n1cccn1 62a_100000077511_200000210301 [0,1,0,0,0,0|2,0,0]=3 206 B10R1.11 CSCC(=O)n1cccn1 62a_200000210301_100000077511 [0,1,0,0,0,0|2,0,0]=3 207 B10R1.11 O=C(CCF)C1CC=CC1 1458a_100000759439_100011217306 [0,1,0,0,0,0|2,0,1]=4 208 B10R1.11 O=C(CCO)C1CC=CC1 1458a_100000759439_100000211926 [0,1,0,0,0,0|2,0,1]=4 209 B10R1.11 O=C(CCO)N1CC=CC1 240690a_100015195280_100011216618 [0,1,0,0,0,0|3,0,0]=4 210 B10R1.11 [13CH3]OCC(N)c1cccs1 34a_100102422791_200025704644 [0,1,0,0,0,0|2,0,1]=4 211 B10R1.11 [13CH3]SCC(=O)c1ccc[nH]1 62a_200011262396_200025704644 [0,1,0,0,0,0|1,0,1]=3 212 B10R1.11 [13CH3]SCC(=O)c1ccc[nH]1 62a_200025704644_200011262396 [0,1,0,0,0,0|1,0,1]=3 213 B10R1.11 [13CH3]SCC(=O)c1ccco1 62a_100000211439_200025704644 [0,1,0,0,0,0|1,1,0]=3 214 B10R1.11 [13CH3]SCC(=O)c1ccco1 62a_200025704644_100000211439 [0,1,0,0,0,0|1,1,0]=3 215 B10R1.11 [13CH3]SCC(=O)c1cccs1 62a_100000211436_200025704644 [0,1,0,0,0,0|1,0,0]=2 216 B10R1.11 [13CH3]SCC(=O)c1cccs1 62a_200025704644_100000211436 [0,1,0,0,0,0|1,0,0]=2 217 B10R1.11 [13CH3]SCC(=O)c1ccsc1 62a_100011219462_200025704644 [0,1,0,0,0,0|3,0,0]=4 218 B10R1.11 [13CH3]SCC(=O)c1ccsc1 62a_200025704644_100011219462 [0,1,0,0,0,0|3,0,0]=4 219 B10R1.11 [13CH3]SCC(=O)c1nccs1 62a_100000718653_200025704644 [0,1,0,0,0,0|0,0,0]=1 220 B10R1.11 [13CH3]SCC(=O)c1nccs1 62a_200025704644_100000718653 [0,1,0,0,0,0|0,0,0]=1 221 B10R1.11 [13CH3]SCC(=O)n1cccn1 62a_100000077511_200025704644 [0,1,0,0,0,0|2,0,0]=3 222 B10R1.11 [13CH3]SCC(=O)n1cccn1 62a_200025704644_100000077511 [0,1,0,0,0,0|2,0,0]=3 223 B10R1.14 CCC(=O)C1CSC(=N1)N 1458a_100000002200_100000210202 [0,1,0,0,0,0|2,0,1]=4 224 B10R1.14 CCC(=O)c1ccc(s1)O 271570a_203496583355_200011203577 [0,1,0,0,0,0|1,0,0]=2 225 B10R1.14 CNC(=O)C1=NNC(=O)C1 240690a_100102657272_200000752725 [0,1,0,0,0,0|3,0,0]=4 226 B10R1.14 CNC(=O)C1=NNC(=O)C1 527a_100102657272_200000752725 [0,1,0,0,0,0|3,0,0]=4 227 B10R1.14 CNC(=O)c1ccc(o1)O 271570a_203496583355_100000159859 [0,1,0,0,0,0|2,1,0]=4 228 B10R1.14 CNC(=O)c1ccc(s1)O 271570a_203496583355_200000155069 [0,1,0,0,0,0|2,0,0]=3 229 B10R1.14 CNC(=O)c1csc(n1)O 271570a_203496583355_100010260535 [0,1,0,0,0,0|3,0,0]=4 230 B10R1.14 CNC(C)c1nc(cs1)C 2230a_100015185622_200000210301 [0,1,0,0,0,0|2,0,1]=4 231 B10R1.14 CNC(C)c1nc(cs1)C 269862a_106832991636_100011857357 [0,1,0,0,0,0|2,0,1]=4 232 B10R1.14 CNC(C)c1ncc(s1)C 269862a_106832991636_100011857370 [0,1,0,0,0,0|2,0,1]=4 233 B10R1.14 COC(=O)c1cc([nH]n1)O 271570a_203496583355_100010760819 [0,1,0,0,0,0|3,0,0]=4 234 B10R1.14 COC(=O)c1cc(co1)O 271570a_203496583355_100009992624 [0,1,0,0,0,0|2,1,0]=4 235 B10R1.14 COC(=O)c1cc(cs1)O 271570a_203496583355_100009815473 [0,1,0,0,0,0|2,0,0]=3 236 B10R1.14 COC(=O)c1ccc([nH]1)O 271570a_203496583355_100000687774 [0,1,0,0,0,0|2,0,1]=4 237 B10R1.14 COC(=O)c1ccc(o1)O 271570a_203496583355_100000148852 [0,1,0,0,0,0|2,1,0]=4 238 B10R1.14 COC(=O)c1ccc(s1)O 271570a_203496583355_100000148107 [0,1,0,0,0,0|2,0,0]=3 239 B10R1.14 COC(=O)c1cnc(s1)O 271570a_203496583355_100000738003 [0,1,0,0,0,0|3,0,0]=4 240 B10R1.14 COC(=O)c1coc(n1)O 271570a_203496583355_100010235569 [0,1,0,0,0,0|3,0,0]=4 241 B10R1.14 COC(=O)c1csc(n1)O 271570a_203496583355_100009816811 [0,1,0,0,0,0|3,0,0]=4 242 B10R1.14 COC(=O)c1nc(cs1)O 271570a_203496583355_100012360158 [0,1,0,0,0,0|1,0,0]=2 243 B10R1.14 COC(=O)c1nc(n[nH]1)O 271570a_203496583355_100010173354 [0,1,0,0,0,0|3,0,0]=4 244 B10R1.14 COC(=O)c1ncc(s1)O 271570a_203496583355_100010191244 [0,1,0,0,0,0|1,0,0]=2 245 B10R1.14 Cc1csc(n1)C(C)N[13CH3] 2230a_100015185622_200025704644 [0,1,0,0,0,0|2,0,1]=4 246 B10R1.14 NNC(=O)c1ccc(s1)O 271570a_203496583355_100000180196 [0,1,0,0,0,0|3,0,0]=4 247 B10R1.23 CC(=C(C)c1cccs1)C 271570a_200000049429_100011215356 [0,1,0,0,0,0|2,0,1]=4 248 B10R1.23 CC(=C(C)c1ncc[nH]1)C 271570a_200000049429_100025796157 [0,1,0,0,0,0|2,0,1]=4 249 B10R1.23 CC(=C(C)c1ncco1)C 271570a_200000049429_100011787736 [0,1,0,0,0,0|1,1,1]=4 250 B10R1.23 CC(=C(C)c1nccs1)C 271570a_200000049429_100000211983 [0,1,0,0,0,0|1,0,1]=3 251 B10R1.23 CC(=C(C)c1ncns1)C 271570a_200000049429_100000693119 [0,1,0,0,0,0|2,0,1]=4 252 B10R1.23 CC(=C(C)c1nncs1)C 271570a_200000049429_100000739804 [0,1,0,0,0,0|2,0,1]=4 253 B10R1.23 CC(C)C(=O)C1CC=CC1 1458a_100000759439_100000210206 [0,1,0,0,0,0|2,0,1]=4 254 B10R1.23 CC(C)C(=O)N1CC=CC1 1626a_100015195280_100000210198 [0,1,0,0,0,0|3,0,0]=4 255 B10R1.23 CC(C)C(=O)N1CC=CC1 240690a_100015195280_100000210198 [0,1,0,0,0,0|3,0,0]=4 256 B10R1.23 CC(C)N(C)c1ncns1 27a_200000211004_100000693119 [0,1,0,0,0,0|3,0,0]=4 257 B10R1.23 CC(C)N(C)c1nncs1 27a_200000211004_100000739804 [0,1,0,0,0,0|3,0,0]=4 258 B10R1.23 CC(F)C(=O)N1CC=CC1 1626a_100015195280_100000062450 [0,1,0,0,0,0|3,0,0]=4 259 B10R1.23 CC(F)C(=O)N1CC=CC1 240690a_100015195280_100000062450 [0,1,0,0,0,0|3,0,0]=4 260 B10R1.23 CC(c1nccs1)N(C)C 2230a_103437849288_200000210301 [0,1,0,0,0,0|2,0,1]=4 261 B10R1.23 CC(c1nccs1)N(C)C 269982a_103437849288_200000210301 [0,1,0,0,0,0|2,0,1]=4 262 B10R1.23 CC(c1nccs1)N(C)[13CH3] 2230a_103437849288_200025704644 [0,1,0,0,0,0|2,0,1]=4 263 B10R1.23 CC(c1nccs1)N(C)[13CH3] 269982a_103437849288_200025704644 [0,1,0,0,0,0|2,0,1]=4 264 B10R1.23 C[C@@H](O)C(=O)N1CC=CC1 240690a_100015195280_100000717761 [0,1,0,0,0,0|3,0,0]=4 265 B10R1.23 C[C@H](O)C(=O)N1CC=CC1 1626a_100015195280_217856618621 [0,1,0,0,0,0|3,0,0]=4 266 B10R1.23 C[C@H](O)C(=O)N1CC=CC1 240690a_100015195280_217856618621 [0,1,0,0,0,0|3,0,0]=4 267 B10R1.149 COC(=O)c1[nH]ccc1O 271570a_203496583355_100102525103 [0,1,0,0,0,0|2,0,1]=4 268 B10R1.149 COC(=O)c1ncsc1O 271570a_203496583355_100009816836 [0,1,0,0,0,0|3,0,0]=4 269 B10R1.149 COC(=O)c1occc1O 271570a_203496583355_100012676306 [0,1,0,0,0,0|2,1,0]=4 270 B10R1.149 COC(=O)c1sccc1O 271570a_203496583355_100000730364 [0,1,0,0,0,0|2,0,0]=3 271 B10R1.149 COC(=O)c1scnc1O 271570a_203496583355_100013370767 [0,1,0,0,0,0|3,0,0]=4 272 B8R0.3 C=CCC(=O)C(=O)NC 1458a_100011218921_100000210623 [0,0,1,0,0,0|2,1,0]=4 273 B8R0.3 C=CCC(C)C(=O)CC 1458a_100011216819_100000210202 [0,0,1,0,0,0|2,0,1]=4 274 B8R0.3 C=CCN(C)C(=O)CC 11a_100000225617_100000210414 [0,0,1,0,0,0|3,0,0]=4 275 B8R0.3 C=CCN(C)C(=O)CC 1626a_100000225617_100000210414 [0,0,1,0,0,0|3,0,0]=4 276 B8R0.3 C=CCN(C)C(=O)CC 240690a_100000225617_100000210414 [0,0,1,0,0,0|3,0,0]=4 277 B8R0.3 C=CCN(C)C(=O)CC 527a_100000225617_100000210414 [0,0,1,0,0,0|3,0,0]=4 278 B8R0.3 CCC(=O)/C(=N/OC)/C 1458a_100160996864_100000210202 [0,0,1,0,0,0|2,0,1]=4 279 B8R0.6 C/C=C/C=CC(=O)CC 1458a_100000185730_100000210202 [0,0,1,0,0,0|2,0,0]=3 280 B8R0.6 C/C=C/C=CC(=O)CF 1458a_100000185730_100015361967 [0,0,1,0,0,0|3,0,0]=4 281 B8R0.6 C/C=C/C=CC(=O)NC 11a_106832991635_100000185730 [0,0,1,0,0,0|3,0,0]=4 282 B8R0.6 C/C=C/C=CC(=O)NC 1626a_100102657272_100000185730 [0,0,1,0,0,0|3,0,0]=4 283 B8R0.6 C/C=C/C=CC(=O)NC 240690a_100102657272_100000185730 [0,0,1,0,0,0|3,0,0]=4 284 B8R0.6 C=CCSCC(=O)CC 1458a_100000230395_100000210202 [0,0,1,0,0,0|1,0,2]=4 285 B8R0.6 C=CCSCC(=O)CC 62a_100000210623_100000747405 [0,0,1,0,0,0|1,0,2]=4 286 B8R0.6 C=CCSCC(=O)CC 62a_100000747405_100000210623 [0,0,1,0,0,0|1,0,2]=4 287 B8R0.6 CCC(=O)CSCC=O 62a_100000747405_200015260668 [0,0,1,0,0,0|1,0,2]=4 288 B8R0.6 CCC(=O)CSCC=O 62a_200015260668_100000747405 [0,0,1,0,0,0|1,0,2]=4 289 B8R0.6 CCC=NNC(=O)CC 4a_100000183195_100000210100 [0,0,1,0,0,0|2,0,1]=4 290 B10R2.136 c1nnc(s1)N2CCC2 27a_100000754969_100000739804 [0,0,0,1,0,0|3,0,0]=4 291 B10R2.136 c1nsc(n1)N2CCC2 27a_100000754969_100000693119 [0,0,0,1,0,0|3,0,0]=4 292 B10R1.15 CCC(=O)N1CC=CCC1 11a_100000698166_100000210414 [0,0,0,0,0,1|3,0,0]=4 293 B10R1.15 CCC(=O)N1CC=CCC1 1626a_100000698166_100000210414 [0,0,0,0,0,1|3,0,0]=4 294 B10R1.15 CCC(=O)N1CC=CCC1 240690a_100000698166_100000210414 [0,0,0,0,0,1|3,0,0]=4 295 B10R1.15 CCC(=O)N1CC=CCC1 527a_100000698166_100000210414 [0,0,0,0,0,1|3,0,0]=4 296 B10R1.15 CCC(=O)[C@H]1CC=CCC1 1458a_100009820709_100000210202 [0,0,0,0,0,1|2,0,1]=4 297 B10R1.15 CCC(=O)c1ccccc1 1458a_100000185807_100000210202 [0,0,0,0,0,1|2,0,0]=3 298 B10R1.15 CNC(=O)c1ccccc1 11a_106832991635_100000185807 [0,0,0,0,0,1|3,0,0]=4 299 B10R1.15 CNC(=O)c1ccccc1 1626a_100102657272_100000185807 [0,0,0,0,0,1|3,0,0]=4 300 B10R1.15 CNC(=O)c1ccccc1 240690a_100102657272_100000185807 [0,0,0,0,0,1|3,0,0]=4 301 B10R1.15 CNC(=O)c1ccccc1 527a_100102657272_100000185807 [0,0,0,0,0,1|3,0,0]=4 302 B10R1.15 O=C(CF)c1ccccc1 1458a_100000185807_100015361967 [0,0,0,0,0,1|3,0,0]=4 303 B10R1.27 C#CC(=O)Cc1ncco1 1458a_100000211873_103436540062 [0,0,0,0,0,1|0,1,2]=4 304 B10R1.27 C#CC(=O)Cc1nccs1 1458a_100000211873_100015184050 [0,0,0,0,0,1|0,0,2]=3 305 B10R1.27 C=CC(=O)Cc1ncco1 1458a_100000185746_103436540062 [0,0,0,0,0,1|0,1,2]=4 306 B10R1.27 C=CC(=O)Cc1nccs1 1458a_100000185746_100015184050 [0,0,0,0,0,1|0,0,2]=3 307 B10R1.27 CC(=Cc1nccs1)C#N 6a_100000750902_200000212204 [0,0,0,0,0,1|2,0,1]=4 308 B10R1.27 CC(CO)Sc1nccs1 62a_100012180447_100000211983 [0,0,0,0,0,1|2,0,1]=4 309 B10R1.27 CCC(=O)CC1CC=CC1 1458a_200000137526_100000210202 [0,0,0,0,0,1|2,0,1]=4 310 B10R1.27 CCC(=O)CN1CC=CC1 269982a_100015195280_100000747405 [0,0,0,0,0,1|3,0,0]=4 311 B10R1.27 CCC(=O)Cc1c[nH]cn1 1458a_100000210414_100000707719 [0,0,0,0,0,1|2,0,0]=3 312 B10R1.27 CCC(=O)Cc1c[nH]cn1 1458a_100015291406_100000210202 [0,0,0,0,0,1|2,0,0]=3 313 B10R1.27 CCC(=O)Cc1ccc[nH]1 1458a_100000238377_100000210202 [0,0,0,0,0,1|1,0,1]=3 314 B10R1.27 CCC(=O)Cc1ccco1 1458a_100011217309_100000210202 [0,0,0,0,0,1|1,1,0]=3 315 B10R1.27 CCC(=O)Cc1cccs1 1458a_100000210189_100000210202 [0,0,0,0,0,1|1,0,0]=2 316 B10R1.27 CCC(=O)Cc1ccn[nH]1 1458a_100000210414_100000728653 [0,0,0,0,0,1|2,0,1]=4 317 B10R1.27 CCC(=O)Cc1ccn[nH]1 1458a_100000752941_100000210202 [0,0,0,0,0,1|2,0,1]=4 318 B10R1.27 CCC(=O)Cc1ccoc1 1458a_100000684892_100000210202 [0,0,0,0,0,1|3,0,0]=4 319 B10R1.27 CCC(=O)Cc1ccon1 1458a_100000210414_100000234950 [0,0,0,0,0,1|2,0,0]=3 320 B10R1.27 CCC(=O)Cc1ccsc1 1458a_100000184062_100000210202 [0,0,0,0,0,1|3,0,0]=4 321 B10R1.27 CCC(=O)Cc1ccsc1 1458a_100000210414_100011233845 [0,0,0,0,0,1|3,0,0]=4 322 B10R1.27 CCC(=O)Cc1cncs1 1458a_100000210414_100015185245 [0,0,0,0,0,1|2,0,0]=3 323 B10R1.27 CCC(=O)Cc1cscn1 1458a_100000210414_100000205941 [0,0,0,0,0,1|2,0,0]=3 324 B10R1.27 CCC(=O)Cc1cscn1 1458a_100011438297_100000210202 [0,0,0,0,0,1|2,0,0]=3 325 B10R1.27 CCC(=O)Cc1ncco1 1458a_100000210414_103436540062 [0,0,0,0,0,1|0,1,0]=2 326 B10R1.27 CCC(=O)Cc1nccs1 1458a_100000210414_100015184050 [0,0,0,0,0,1|0,0,0]=1 327 B10R1.27 CCC(=O)Cc1nnn[nH]1 1458a_100000210414_100000765167 [0,0,0,0,0,1|3,0,0]=4 328 B10R1.27 CCC(=O)Cn1cccc1 1458a_100011196272_100000210202 [0,0,0,0,0,1|3,0,0]=4 329 B10R1.27 CCC(=O)Cn1cccn1 1458a_100000233772_100000210202 [0,0,0,0,0,1|2,0,0]=3 330 B10R1.27 CCC(=O)Cn1ccnn1 1458a_100000080816_100000210202 [0,0,0,0,0,1|3,0,0]=4 331 B10R1.27 CCC(=O)Cn1cncn1 1458a_100000210414_200020645497 [0,0,0,0,0,1|3,0,0]=4 332 B10R1.27 CCC(=O)Cn1cncn1 1458a_100000699347_100000210202 [0,0,0,0,0,1|3,0,0]=4 333 B10R1.27 CCC(=O)Cn1nccn1 1458a_100000080817_100000210202 [0,0,0,0,0,1|2,0,0]=3 334 B10R1.27 CCC(=O)NC1C=CN=N1 11a_100134613517_100000210414 [0,0,0,0,0,1|2,0,1]=4 335 B10R1.27 CCC(=O)NC1C=CN=N1 240690a_100134613517_100000210414 [0,0,0,0,0,1|2,0,1]=4 336 B10R1.27 CCC(=O)NC1CC=CC1 11a_100015188752_100000210414 [0,0,0,0,0,1|2,0,1]=4 337 B10R1.27 CCC(=O)NC1CC=CC1 1626a_100015188752_100000210414 [0,0,0,0,0,1|2,0,1]=4 338 B10R1.27 CCC(=O)NC1CC=CC1 240690a_100015188752_100000210414 [0,0,0,0,0,1|2,0,1]=4 339 B10R1.27 CCC(=O)NC1CC=CC1 527a_100015188752_100000210414 [0,0,0,0,0,1|2,0,1]=4 340 B10R1.27 CCC(C)Sc1cccs1 62a_100000758301_100011215356 [0,0,0,0,0,1|2,0,1]=4 341 B10R1.27 CCC(C)Sc1cccs1 62a_100011215356_100000758301 [0,0,0,0,0,1|2,0,1]=4 342 B10R1.27 CCC(C)Sc1ncc[nH]1 62a_100000758301_100025796157 [0,0,0,0,0,1|2,0,1]=4 343 B10R1.27 CCC(C)Sc1ncc[nH]1 62a_100025796157_100000758301 [0,0,0,0,0,1|2,0,1]=4 344 B10R1.27 CCC(C)Sc1ncco1 62a_100000758301_100011787736 [0,0,0,0,0,1|1,1,1]=4 345 B10R1.27 CCC(C)Sc1ncco1 62a_100011787736_100000758301 [0,0,0,0,0,1|1,1,1]=4 346 B10R1.27 CCC(C)Sc1nccs1 62a_100000211983_100000758301 [0,0,0,0,0,1|1,0,1]=3 347 B10R1.27 CCC(C)Sc1nccs1 62a_100000758301_100000211983 [0,0,0,0,0,1|1,0,1]=3 348 B10R1.27 CCC(C)Sc1ncns1 62a_100000693119_100000758301 [0,0,0,0,0,1|2,0,1]=4 349 B10R1.27 CCC(C)Sc1ncns1 62a_100000758301_100000693119 [0,0,0,0,0,1|2,0,1]=4 350 B10R1.27 CCC(C)Sc1nncs1 62a_100000739804_100000758301 [0,0,0,0,0,1|2,0,1]=4 351 B10R1.27 CCC(C)Sc1nncs1 62a_100000758301_100000739804 [0,0,0,0,0,1|2,0,1]=4 352 B10R1.27 CCN(C)Cc1cccs1 2230a_100000184426_100000210202 [0,0,0,0,0,1|3,0,0]=4 353 B10R1.27 CCN(C)Cc1cccs1 2230a_100025770963_200000210301 [0,0,0,0,0,1|3,0,0]=4 354 B10R1.27 CCN(C)Cc1cccs1 269982a_100000184426_100000204670 [0,0,0,0,0,1|3,0,0]=4 355 B10R1.27 CCN(C)Cc1cccs1 269982a_100025770963_200000210301 [0,0,0,0,0,1|3,0,0]=4 356 B10R1.27 CCN(C)Cc1ncc[nH]1 2230a_100000225621_100016991755 [0,0,0,0,0,1|3,0,0]=4 357 B10R1.27 CCN(C)Cc1ncc[nH]1 2230a_100015184136_100000210202 [0,0,0,0,0,1|3,0,0]=4 358 B10R1.27 CCN(C)Cc1ncc[nH]1 269982a_100000225621_100016991755 [0,0,0,0,0,1|3,0,0]=4 359 B10R1.27 CCN(C)Cc1ncc[nH]1 269982a_100015184136_100000204670 [0,0,0,0,0,1|3,0,0]=4 360 B10R1.27 CCN(C)Cc1ncco1 2230a_100000225621_103436540062 [0,0,0,0,0,1|2,1,0]=4 361 B10R1.27 CCN(C)Cc1ncco1 269982a_100000225621_103436540062 [0,0,0,0,0,1|2,1,0]=4 362 B10R1.27 CCN(C)Cc1nccs1 2230a_100000225621_100015184050 [0,0,0,0,0,1|2,0,0]=3 363 B10R1.27 CCN(C)Cc1nccs1 2230a_100000765864_100000210202 [0,0,0,0,0,1|2,0,0]=3 364 B10R1.27 CCN(C)Cc1nccs1 269982a_100000225621_100015184050 [0,0,0,0,0,1|2,0,0]=3 365 B10R1.27 CCN(C)Cc1nccs1 269982a_100000765864_100000204670 [0,0,0,0,0,1|2,0,0]=3 366 B10R1.27 CCN([13CH3])Cc1cccs1 2230a_100025770963_200025704644 [0,0,0,0,0,1|3,0,0]=4 367 B10R1.27 CCN([13CH3])Cc1cccs1 269982a_100025770963_200025704644 [0,0,0,0,0,1|3,0,0]=4 368 B10R1.27 CN(CF)Cc1nccs1 269982a_100000765864_100015361967 [0,0,0,0,0,1|3,0,0]=4 369 B10R1.27 CNC(=O)Cc1c[nH]cn1 240690a_100102657272_100015291406 [0,0,0,0,0,1|3,0,0]=4 370 B10R1.27 CNC(=O)Cc1ccc[nH]1 11a_106832991635_100000238377 [0,0,0,0,0,1|2,0,1]=4 371 B10R1.27 CNC(=O)Cc1ccc[nH]1 240690a_100102657272_100000238377 [0,0,0,0,0,1|2,0,1]=4 372 B10R1.27 CNC(=O)Cc1ccc[nH]1 527a_100102657272_100000238377 [0,0,0,0,0,1|2,0,1]=4 373 B10R1.27 CNC(=O)Cc1ccco1 11a_106832991635_100011217309 [0,0,0,0,0,1|2,1,0]=4 374 B10R1.27 CNC(=O)Cc1ccco1 527a_100102657272_100011217309 [0,0,0,0,0,1|2,1,0]=4 375 B10R1.27 CNC(=O)Cc1cccs1 11a_106832991635_100000210189 [0,0,0,0,0,1|2,0,0]=3 376 B10R1.27 CNC(=O)Cc1cccs1 1626a_100102657272_100000210189 [0,0,0,0,0,1|2,0,0]=3 377 B10R1.27 CNC(=O)Cc1cccs1 240690a_100102657272_100000210189 [0,0,0,0,0,1|2,0,0]=3 378 B10R1.27 CNC(=O)Cc1cscn1 11a_106832991635_100011438297 [0,0,0,0,0,1|3,0,0]=4 379 B10R1.27 CNC(=O)Cc1cscn1 1626a_100102657272_100011438297 [0,0,0,0,0,1|3,0,0]=4 380 B10R1.27 CNC(=O)Cc1cscn1 240690a_100102657272_100011438297 [0,0,0,0,0,1|3,0,0]=4 381 B10R1.27 CNC(=O)Cc1cscn1 527a_100102657272_100011438297 [0,0,0,0,0,1|3,0,0]=4 382 B10R1.27 CNC(=O)Cn1cccn1 11a_106832991635_100000233772 [0,0,0,0,0,1|3,0,0]=4 383 B10R1.27 CNC(=O)Cn1cccn1 1626a_100102657272_100000233772 [0,0,0,0,0,1|3,0,0]=4 384 B10R1.27 CNC(=O)Cn1cccn1 240690a_100102657272_100000233772 [0,0,0,0,0,1|3,0,0]=4 385 B10R1.27 CNC(=O)Cn1cccn1 527a_100102657272_100000233772 [0,0,0,0,0,1|3,0,0]=4 386 B10R1.27 CNC(=O)Cn1nccn1 11a_106832991635_100000080817 [0,0,0,0,0,1|3,0,0]=4 387 B10R1.27 CNC(=O)Cn1nccn1 1626a_100102657272_100000080817 [0,0,0,0,0,1|3,0,0]=4 388 B10R1.27 CNC(=O)Cn1nccn1 240690a_100102657272_100000080817 [0,0,0,0,0,1|3,0,0]=4 389 B10R1.27 CNC(=O)Cn1nccn1 527a_100102657272_100000080817 [0,0,0,0,0,1|3,0,0]=4 390 B10R1.27 COC(C)Sc1nccs1 62a_100000211983_100009879195 [0,0,0,0,0,1|2,0,1]=4 391 B10R1.27 COC(C)Sc1nccs1 62a_100009879195_100000211983 [0,0,0,0,0,1|2,0,1]=4 392 B10R1.27 C[C@H](CO)Sc1nccs1 62a_100000211983_100016084084 [0,0,0,0,0,1|2,0,1]=4 393 B10R1.27 C[C@H](CO)Sc1nccs1 62a_100016084084_100000211983 [0,0,0,0,0,1|2,0,1]=4 394 B10R1.27 N#CC(=Cc1nccs1)F 6a_100000750902_200000032654 [0,0,0,0,0,1|2,0,1]=4 395 B10R1.27 O=C(CF)Cc1c[nH]cn1 1458a_100015291406_100015361967 [0,0,0,0,0,1|3,0,0]=4 396 B10R1.27 O=C(CF)Cc1ccc[nH]1 1458a_100000238377_100015361967 [0,0,0,0,0,1|2,0,1]=4 397 B10R1.27 O=C(CF)Cc1ccco1 1458a_100011217309_100015361967 [0,0,0,0,0,1|2,1,0]=4 398 B10R1.27 O=C(CF)Cc1cccs1 1458a_100000210189_100015361967 [0,0,0,0,0,1|2,0,0]=3 399 B10R1.27 O=C(CF)Cc1cscn1 1458a_100011438297_100015361967 [0,0,0,0,0,1|3,0,0]=4 400 B10R1.27 O=C(CF)Cn1cccn1 1458a_100000233772_100015361967 [0,0,0,0,0,1|3,0,0]=4 401 B10R1.27 O=C(CF)Cn1nccn1 1458a_100000080817_100015361967 [0,0,0,0,0,1|3,0,0]=4 402 B10R1.27 O=C(CO)Cc1c[nH]cn1 1458a_100000210174_100000707719 [0,0,0,0,0,1|3,0,0]=4 403 B10R1.27 O=C(CO)Cc1ccon1 1458a_100000210174_100000234950 [0,0,0,0,0,1|3,0,0]=4 404 B10R1.27 O=C(CO)Cc1cncs1 1458a_100000210174_100015185245 [0,0,0,0,0,1|3,0,0]=4 405 B10R1.27 O=C(CO)Cc1cscn1 1458a_100000210174_100000205941 [0,0,0,0,0,1|3,0,0]=4 406 B10R1.27 O=C(CO)Cc1ncco1 1458a_100000210174_103436540062 [0,0,0,0,0,1|1,1,0]=3 407 B10R1.27 O=C(CO)Cc1nccs1 1458a_100000210174_100015184050 [0,0,0,0,0,1|1,0,0]=2 408 B7R0.3 C/C=C/CC(=O)CC 1458a_100000210414_100102629194 [1,0,1,0,0,0|1,0,1]=4 409 B7R0.3 C=CC=CC(=O)CC 1458a_100016291481_100000210202 [1,0,1,0,0,0|1,0,0]=3 410 B7R0.3 C=CC=CC(=O)CF 1458a_100016291481_100015361967 [1,0,1,0,0,0|2,0,0]=4 411 B7R0.3 C=CC=CC(=O)NC 1626a_100102657272_100016291481 [1,0,1,0,0,0|2,0,0]=4 412 B7R0.3 C=CCCC(=O)CC 1458a_100000210414_100000754431 [1,0,1,0,0,0|1,0,1]=4 413 B7R0.3 C=CCCC(=O)CC 1458a_100000749702_100000210202 [1,0,1,0,0,0|1,0,1]=4 414 B7R0.3 C=CCNC(=O)CC 1626a_100020586998_100000210414 [1,0,1,0,0,0|2,0,0]=4 415 B7R0.3 C=CCNC(=O)CC 240690a_100020586998_100000210414 [1,0,1,0,0,0|2,0,0]=4 416 B7R0.3 C=CCNC(=O)CC 527a_100020586998_100000210414 [1,0,1,0,0,0|2,0,0]=4 417 B7R0.3 CC=CCC(=O)CC 1458a_100000210414_100000070051 [1,0,1,0,0,0|1,0,1]=4 418 B7R0.3 CC=CCC(=O)CC 1458a_100121576822_100000210202 [1,0,1,0,0,0|1,0,1]=4 419 B7R0.3 CC=NNC(=O)CC 4a_100000183195_200000210099 [1,0,1,0,0,0|1,0,1]=4 420 B7R0.3 CCC(=O)C=COC 1458a_100016268678_100000210202 [1,0,1,0,0,0|2,0,0]=4 421 B7R0.3 CCC=CC(=O)CC 1458a_100000212282_100000210202 [1,0,1,0,0,0|1,0,1]=4 422 B7R0.10 C/C=C(\C)/C(=O)CC 1458a_100020587367_100000210202 [1,0,1,0,0,0|1,0,1]=4 423 B7R0.10 C=CC(C)C(=O)CC 1458a_100011216780_100000210202 [1,0,1,0,0,0|1,0,1]=4 424 B7R0.4 C/C=C/C=CC(=O)C 1458a_100000185730_200000210301 [1,0,1,0,0,0|2,0,0]=4 425 B7R0.4 C/C=C/C=CC(=O)[13CH3] 1458a_100000185730_200025704644 [1,0,1,0,0,0|2,0,0]=4 426 B7R1.1 C=Cc1cccs1 271570a_100011290941_100011215356 [2,0,0,0,0,0|1,0,1]=4 427 B7R1.1 C=Cc1ncc[nH]1 271570a_100011290941_100025796157 [2,0,0,0,0,0|1,0,1]=4 428 B7R1.1 C=Cc1ncco1 271570a_100011290941_100011787736 [2,0,0,0,0,0|0,1,1]=4 429 B7R1.1 C=Cc1nccs1 271570a_100011290941_100000211983 [2,0,0,0,0,0|0,0,1]=3 430 B7R1.1 C=Cc1ncns1 271570a_100011290941_100000693119 [2,0,0,0,0,0|1,0,1]=4 431 B7R1.1 C=Cc1nncs1 271570a_100011290941_100000739804 [2,0,0,0,0,0|1,0,1]=4 432 B7R1.1 CNc1ncns1 27a_100102657272_100000693119 [2,0,0,0,0,0|2,0,0]=4 433 B7R1.1 CNc1nncs1 27a_100102657272_100000739804 [2,0,0,0,0,0|2,0,0]=4 434 B7R1.1 CSc1cccs1 62a_100011215356_200000210301 [2,0,0,0,0,0|2,0,0]=4 435 B7R1.1 CSc1cccs1 62a_200000210301_100011215356 [2,0,0,0,0,0|2,0,0]=4 436 B7R1.1 CSc1ncc[nH]1 62a_100025796157_200000210301 [2,0,0,0,0,0|2,0,0]=4 437 B7R1.1 CSc1ncc[nH]1 62a_200000210301_100025796157 [2,0,0,0,0,0|2,0,0]=4 438 B7R1.1 CSc1ncco1 62a_100011787736_200000210301 [2,0,0,0,0,0|1,1,0]=4 439 B7R1.1 CSc1ncco1 62a_200000210301_100011787736 [2,0,0,0,0,0|1,1,0]=4 440 B7R1.1 CSc1nccs1 62a_100000211983_200000210301 [2,0,0,0,0,0|1,0,0]=3 441 B7R1.1 CSc1nccs1 62a_200000210301_100000211983 [2,0,0,0,0,0|1,0,0]=3 442 B7R1.1 CSc1ncns1 62a_100000693119_200000210301 [2,0,0,0,0,0|2,0,0]=4 443 B7R1.1 CSc1ncns1 62a_200000210301_100000693119 [2,0,0,0,0,0|2,0,0]=4 444 B7R1.1 CSc1nncs1 62a_100000739804_200000210301 [2,0,0,0,0,0|2,0,0]=4 445 B7R1.1 CSc1nncs1 62a_200000210301_100000739804 [2,0,0,0,0,0|2,0,0]=4 446 B7R1.1 [13CH3]Sc1cccs1 62a_100011215356_200025704644 [2,0,0,0,0,0|2,0,0]=4 447 B7R1.1 [13CH3]Sc1cccs1 62a_200025704644_100011215356 [2,0,0,0,0,0|2,0,0]=4 448 B7R1.1 [13CH3]Sc1ncc[nH]1 62a_100025796157_200025704644 [2,0,0,0,0,0|2,0,0]=4 449 B7R1.1 [13CH3]Sc1ncc[nH]1 62a_200025704644_100025796157 [2,0,0,0,0,0|2,0,0]=4 450 B7R1.1 [13CH3]Sc1ncco1 62a_100011787736_200025704644 [2,0,0,0,0,0|1,1,0]=4 451 B7R1.1 [13CH3]Sc1ncco1 62a_200025704644_100011787736 [2,0,0,0,0,0|1,1,0]=4 452 B7R1.1 [13CH3]Sc1nccs1 62a_100000211983_200025704644 [2,0,0,0,0,0|1,0,0]=3 453 B7R1.1 [13CH3]Sc1nccs1 62a_200025704644_100000211983 [2,0,0,0,0,0|1,0,0]=3 454 B7R1.1 [13CH3]Sc1ncns1 62a_100000693119_200025704644 [2,0,0,0,0,0|2,0,0]=4 455 B7R1.1 [13CH3]Sc1ncns1 62a_200025704644_100000693119 [2,0,0,0,0,0|2,0,0]=4 456 B7R1.1 [13CH3]Sc1nncs1 62a_100000739804_200025704644 [2,0,0,0,0,0|2,0,0]=4 457 B7R1.1 [13CH3]Sc1nncs1 62a_200025704644_100000739804 [2,0,0,0,0,0|2,0,0]=4 458 B9R0.8 C=CCSC(C)C(=O)CC 1458a_100000230602_100000210202 [0,1,1,0,0,0|1,0,1]=4 459 B9R0.8 C=CCSC(C)C(=O)CC 62a_100000210623_100000742827 [0,1,1,0,0,0|1,0,1]=4 460 B9R0.8 C=CCSC(C)C(=O)CC 62a_100000742827_100000210623 [0,1,1,0,0,0|1,0,1]=4 461 B9R0.35 C=CCC(=O)C(=O)NCC 1458a_200011297158_100000210623 [0,1,1,0,0,0|1,1,0]=4 462 B9R0.1 C=C(C)C=NNC(=O)CC 4a_100000183195_100000210575 [0,1,1,0,0,0|2,0,0]=4 463 B9R0.5 C/C=C/C=CC(=O)CCC 1458a_100000185730_100000210303 [0,1,1,0,0,0|2,0,0]=4 464 B9R0.5 C/C=C/C=CC(=O)CCF 1458a_100000185730_100011217306 [0,1,1,0,0,0|2,0,0]=4 465 B9R0.5 C/C=C/C=CC(=O)CCO 1458a_100000185730_100000211926 [0,1,1,0,0,0|2,0,0]=4 466 B9R0.5 C/C=C/C=CC(=O)NCC 11a_100015525214_100000185730 [0,1,1,0,0,0|2,0,0]=4 467 B9R0.5 C/C=C/C=CC(=O)NCC 240690a_100015525214_100000185730 [0,1,1,0,0,0|2,0,0]=4 468 B9R0.24 C=CC(=NNC(=O)CC)C 4a_100000183195_200015361842 [0,1,1,0,0,0|2,0,0]=4 469 B9R0.24 CC=C(C)C=CC(=O)CC 1458a_100000692105_100000210202 [0,1,1,0,0,0|2,0,0]=4 470 B9R0.46 C/C=C/CSCC(=O)CC 62a_100000747405_100102629194 [0,1,1,0,0,0|1,0,1]=4 471 B9R0.46 C/C=C/CSCC(=O)CC 62a_100102629194_100000747405 [0,1,1,0,0,0|1,0,1]=4 472 B9R0.46 CC=CCSCC(=O)CC 62a_100000070051_100000747405 [0,1,1,0,0,0|1,0,1]=4 473 B9R0.46 CC=CCSCC(=O)CC 62a_100000747405_100000070051 [0,1,1,0,0,0|1,0,1]=4 474 B9R0.47 C/C=C/C=CC(=O)C(C)C 1458a_100000185730_100000210206 [0,1,1,0,0,0|2,0,0]=4 475 B9R1.35 C=C(C)c1cc(cs1)C 271570a_100000694244_100009876951 [1,1,0,0,0,0|2,0,0]=4 476 B9R1.35 C=C(C)c1ccc(s1)Br 271570a_100000694244_100010197418 [1,1,0,0,0,0|2,0,0]=4 477 B9R1.35 C=C(C)c1ccc(s1)C 271570a_100000694244_100000761539 [1,1,0,0,0,0|2,0,0]=4 478 B9R1.35 C=C(C)c1nc(c[nH]1)C 271570a_100000694244_100161115468 [1,1,0,0,0,0|2,0,0]=4 479 B9R1.35 C=C(C)c1nc(cs1)Br 271570a_100000694244_200016082925 [1,1,0,0,0,0|1,0,0]=3 480 B9R1.35 C=C(C)c1nc(cs1)C 271570a_100000694244_100011291629 [1,1,0,0,0,0|1,0,0]=3 481 B9R1.35 C=C(C)c1nc(cs1)N 271570a_100000694244_200015188442 [1,1,0,0,0,0|1,0,0]=3 482 B9R1.35 C=C(C)c1nc(ns1)C 271570a_100000694244_100000709739 [1,1,0,0,0,0|2,0,0]=4 483 B9R1.35 C=C(C)c1ncc(s1)C 271570a_100000694244_100000690809 [1,1,0,0,0,0|1,0,0]=3 484 B9R1.35 C=C(C)c1nnc(s1)C 271570a_100000694244_100000686958 [1,1,0,0,0,0|2,0,0]=4 485 B9R1.35 C=C(C)c1nnc(s1)N 271570a_100000694244_100000738278 [1,1,0,0,0,0|2,0,0]=4 486 B9R1.35 CC(=O)c1cc(cs1)O 271570a_203496583355_100000718618 [1,1,0,0,0,0|1,0,0]=3 487 B9R1.35 CC(=O)c1ccc([nH]1)O 271570a_203496583355_200010494458 [1,1,0,0,0,0|1,0,1]=4 488 B9R1.35 CC(=O)c1ccc(o1)O 271570a_203496583355_100000229899 [1,1,0,0,0,0|1,1,0]=4 489 B9R1.35 CC(=O)c1ccc(s1)O 271570a_203496583355_100000183331 [1,1,0,0,0,0|1,0,0]=3 490 B9R1.35 CC(=O)c1cnc(s1)O 271570a_203496583355_200010173910 [1,1,0,0,0,0|2,0,0]=4 491 B9R1.35 CC(=O)c1nc(cs1)O 271570a_203496583355_100010231720 [1,1,0,0,0,0|0,0,0]=2 492 B9R1.35 CC(=O)c1ncc(s1)O 271570a_203496583355_100000693680 [1,1,0,0,0,0|0,0,0]=2 493 B9R1.35 CC(=O)n1cc(cn1)O 271570a_203496583355_100010205889 [1,1,0,0,0,0|2,0,0]=4 494 B9R1.35 CC(C)c1nc(cs1)O 271570a_203496583355_200011934575 [1,1,0,0,0,0|1,0,1]=4 495 B9R1.35 CN(C)c1nc(cs1)O 271570a_203496583355_100012356714 [1,1,0,0,0,0|2,0,0]=4 496 B9R1.35 CN(C)c1ncc(s1)O 271570a_203496583355_100012356744 [1,1,0,0,0,0|2,0,0]=4 497 B9R1.35 NC(=O)c1cc(cs1)O 271570a_203496583355_100009812991 [1,1,0,0,0,0|2,0,0]=4 498 B9R1.35 NC(=O)c1ccc(s1)O 271570a_203496583355_100000162267 [1,1,0,0,0,0|2,0,0]=4 499 B9R1.41 C=C(C)c1nccn1C 271570a_100000694244_100000707724 [1,1,0,0,0,0|2,0,0]=4 500 B9R1.41 C=C(C)c1sccc1Br 271570a_100000694244_100012361411 [1,1,0,0,0,0|2,0,0]=4 501 B9R1.41 C=C(C)c1sccc1C 271570a_100000694244_100000742657 [1,1,0,0,0,0|2,0,0]=4 502 B9R1.41 CC(=O)c1sccc1O 271570a_203496583355_100000738688 [1,1,0,0,0,0|1,0,0]=3 503 B9R1.41 CC(=O)c1scnc1O 271570a_203496583355_200010339033 [1,1,0,0,0,0|2,0,0]=4 504 B9R1.7 C=C=Cc1nc(cs1)Br 271570a_100015277604_200016082925 [1,1,0,0,0,0|0,0,2]=4 505 B9R1.7 C=C=Cc1nc(cs1)C 271570a_100015277604_100011291629 [1,1,0,0,0,0|0,0,2]=4 506 B9R1.7 C=C=Cc1nc(cs1)N 271570a_100015277604_200015188442 [1,1,0,0,0,0|0,0,2]=4 507 B9R1.7 C=C=Cc1ncc(s1)C 271570a_100015277604_100000690809 [1,1,0,0,0,0|0,0,2]=4 508 B9R1.7 CC=Cc1cc(cs1)C 271570a_100016259895_100009876951 [1,1,0,0,0,0|1,0,1]=4 509 B9R1.7 CC=Cc1ccc(s1)Br 271570a_100016259895_100010197418 [1,1,0,0,0,0|1,0,1]=4 510 B9R1.7 CC=Cc1ccc(s1)C 271570a_100016259895_100000761539 [1,1,0,0,0,0|1,0,1]=4 511 B9R1.7 CC=Cc1nc(c[nH]1)C 271570a_100016259895_100161115468 [1,1,0,0,0,0|1,0,1]=4 512 B9R1.7 CC=Cc1nc(cs1)Br 271570a_100016259895_200016082925 [1,1,0,0,0,0|0,0,1]=3 513 B9R1.7 CC=Cc1nc(cs1)C 271570a_100016259895_100011291629 [1,1,0,0,0,0|0,0,1]=3 514 B9R1.7 CC=Cc1nc(cs1)N 271570a_100016259895_200015188442 [1,1,0,0,0,0|0,0,1]=3 515 B9R1.7 CC=Cc1nc(ns1)C 271570a_100016259895_100000709739 [1,1,0,0,0,0|1,0,1]=4 516 B9R1.7 CC=Cc1ncc(s1)C 271570a_100016259895_100000690809 [1,1,0,0,0,0|0,0,1]=3 517 B9R1.7 CC=Cc1nnc(s1)C 271570a_100016259895_100000686958 [1,1,0,0,0,0|1,0,1]=4 518 B9R1.7 CC=Cc1nnc(s1)N 271570a_100016259895_100000738278 [1,1,0,0,0,0|1,0,1]=4 519 B9R1.7 CCCc1ccc(s1)O 271570a_203496583355_100010157708 [1,1,0,0,0,0|1,0,1]=4 520 B9R1.7 CCCc1ncc([nH]1)O 271570a_203496583355_200009820212 [1,1,0,0,0,0|1,0,1]=4 521 B9R1.7 CCNc1nc(ns1)C 27a_100015525214_100000709739 [1,1,0,0,0,0|2,0,0]=4 522 B9R1.7 CCNc1nnc(s1)C 27a_100015525214_100000686958 [1,1,0,0,0,0|2,0,0]=4 523 B9R1.7 CCNc1nnc(s1)N 27a_100015525214_100000738278 [1,1,0,0,0,0|2,0,0]=4 524 B9R1.7 CCOc1nc(cs1)O 271570a_203496583355_100011934640 [1,1,0,0,0,0|1,0,0]=3 525 B9R1.7 CCSc1cc(cs1)C 62a_100000210202_100009876951 [1,1,0,0,0,0|2,0,0]=4 526 B9R1.7 CCSc1cc(cs1)C 62a_100009876951_100000210202 [1,1,0,0,0,0|2,0,0]=4 527 B9R1.7 CCSc1ccc(s1)Br 62a_100000210202_100010197418 [1,1,0,0,0,0|2,0,0]=4 528 B9R1.7 CCSc1ccc(s1)Br 62a_100010197418_100000210202 [1,1,0,0,0,0|2,0,0]=4 529 B9R1.7 CCSc1ccc(s1)C 62a_100000031368_100000210202 [1,1,0,0,0,0|2,0,0]=4 530 B9R1.7 CCSc1ccc(s1)C 62a_100000210202_100000031368 [1,1,0,0,0,0|2,0,0]=4 531 B9R1.7 CCSc1nc(c[nH]1)C 62a_100000210202_100161115468 [1,1,0,0,0,0|2,0,0]=4 532 B9R1.7 CCSc1nc(c[nH]1)C 62a_100161115468_100000210202 [1,1,0,0,0,0|2,0,0]=4 533 B9R1.7 CCSc1nc(cs1)Br 62a_100000210202_200016082925 [1,1,0,0,0,0|1,0,0]=3 534 B9R1.7 CCSc1nc(cs1)Br 62a_200016082925_100000210202 [1,1,0,0,0,0|1,0,0]=3 535 B9R1.7 CCSc1nc(cs1)C 62a_100000210202_100011291629 [1,1,0,0,0,0|1,0,0]=3 536 B9R1.7 CCSc1nc(cs1)C 62a_100011291629_100000210202 [1,1,0,0,0,0|1,0,0]=3 537 B9R1.7 CCSc1nc(cs1)N 62a_100000210202_200015188442 [1,1,0,0,0,0|1,0,0]=3 538 B9R1.7 CCSc1nc(cs1)N 62a_200015188442_100000210202 [1,1,0,0,0,0|1,0,0]=3 539 B9R1.7 CCSc1nc(ns1)C 62a_100000210202_100000709739 [1,1,0,0,0,0|2,0,0]=4 540 B9R1.7 CCSc1nc(ns1)C 62a_100000709739_100000210202 [1,1,0,0,0,0|2,0,0]=4 541 B9R1.7 CCSc1ncc(s1)C 62a_100000210202_100000690809 [1,1,0,0,0,0|1,0,0]=3 542 B9R1.7 CCSc1ncc(s1)C 62a_100000690809_100000210202 [1,1,0,0,0,0|1,0,0]=3 543 B9R1.7 CCSc1nnc(s1)C 62a_100000210202_100000686958 [1,1,0,0,0,0|2,0,0]=4 544 B9R1.7 CCSc1nnc(s1)C 62a_100000686958_100000210202 [1,1,0,0,0,0|2,0,0]=4 545 B9R1.7 CCSc1nnc(s1)N 62a_100000210202_100000738278 [1,1,0,0,0,0|2,0,0]=4 546 B9R1.7 CCSc1nnc(s1)N 62a_100000738278_100000210202 [1,1,0,0,0,0|2,0,0]=4 547 B9R1.7 CNCc1nc(cs1)Br 270004a_106832991635_100009816814 [1,1,0,0,0,0|1,0,1]=4 548 B9R1.7 CNCc1nc(cs1)C 207a_100102657272_100000756994 [1,1,0,0,0,0|1,0,1]=4 549 B9R1.7 CNCc1nc(cs1)C 2230a_100015183719_200000210301 [1,1,0,0,0,0|1,0,1]=4 550 B9R1.7 CNCc1nc(cs1)C 270004a_106832991635_100000756994 [1,1,0,0,0,0|1,0,1]=4 551 B9R1.7 CNCc1ncc(s1)Br 270004a_106832991635_100000699580 [1,1,0,0,0,0|1,0,1]=4 552 B9R1.7 CNCc1ncc(s1)C 207a_100102657272_100011361622 [1,1,0,0,0,0|1,0,1]=4 553 B9R1.7 CNCc1ncc(s1)C 270004a_106832991635_100011361622 [1,1,0,0,0,0|1,0,1]=4 554 B9R1.7 CNCc1ncc(s1)Cl 270004a_106832991635_100000699884 [1,1,0,0,0,0|1,0,1]=4 555 B9R1.7 COCc1nc(cs1)Br 7a_100012000107_200000210301 [1,1,0,0,0,0|1,0,1]=4 556 B9R1.7 Cc1cnc(s1)SCF 62a_100000690809_100015361967 [1,1,0,0,0,0|2,0,0]=4 557 B9R1.7 Cc1cnc(s1)SCF 62a_100015361967_100000690809 [1,1,0,0,0,0|2,0,0]=4 558 B9R1.7 Cc1csc(n1)CN[13CH3] 2230a_100015183719_200025704644 [1,1,0,0,0,0|1,0,1]=4 559 B9R1.7 Cc1csc(n1)SCF 62a_100011291629_100015361967 [1,1,0,0,0,0|2,0,0]=4 560 B9R1.7 Cc1csc(n1)SCF 62a_100015361967_100011291629 [1,1,0,0,0,0|2,0,0]=4 561 B9R1.7 FCSc1nc(cs1)Br 62a_100015361967_200016082925 [1,1,0,0,0,0|2,0,0]=4 562 B9R1.7 FCSc1nc(cs1)Br 62a_200016082925_100015361967 [1,1,0,0,0,0|2,0,0]=4 563 B9R1.7 Nc1csc(n1)SCF 62a_100015361967_200015188442 [1,1,0,0,0,0|2,0,0]=4 564 B9R1.7 Nc1csc(n1)SCF 62a_200015188442_100015361967 [1,1,0,0,0,0|2,0,0]=4 565 B9R1.7 [13CH3]OCc1nc(cs1)Br 7a_100012000107_200025704644 [1,1,0,0,0,0|1,0,1]=4 566 B9R1.12 C#CCSc1nccs1 62a_100000038162_100000211983 [1,1,0,0,0,0|1,0,1]=4 567 B9R1.12 C=CCSc1nccs1 62a_100000210623_100000211983 [1,1,0,0,0,0|1,0,1]=4 568 B9R1.12 C=CCSc1nccs1 62a_100000211983_100000210623 [1,1,0,0,0,0|1,0,1]=4 569 B9R1.12 CC=NNc1nccs1 4a_100011198208_200000210099 [1,1,0,0,0,0|1,0,1]=4 570 B9R1.12 CCCCc1cccs1 271570a_100020621405_100011215356 [1,1,0,0,0,0|1,0,1]=4 571 B9R1.12 CCCCc1ncc[nH]1 271570a_100020621405_100025796157 [1,1,0,0,0,0|1,0,1]=4 572 B9R1.12 CCCCc1ncco1 271570a_100020621405_100011787736 [1,1,0,0,0,0|0,1,1]=4 573 B9R1.12 CCCCc1nccs1 271570a_100020621405_100000211983 [1,1,0,0,0,0|0,0,1]=3 574 B9R1.12 CCCCc1ncns1 271570a_100020621405_100000693119 [1,1,0,0,0,0|1,0,1]=4 575 B9R1.12 CCCCc1nncs1 271570a_100020621405_100000739804 [1,1,0,0,0,0|1,0,1]=4 576 B9R1.12 CCCSc1cccs1 62a_100000210303_100011215356 [1,1,0,0,0,0|1,0,1]=4 577 B9R1.12 CCCSc1cccs1 62a_100011215356_100000210303 [1,1,0,0,0,0|1,0,1]=4 578 B9R1.12 CCCSc1ncc[nH]1 62a_100000210303_100025796157 [1,1,0,0,0,0|1,0,1]=4 579 B9R1.12 CCCSc1ncc[nH]1 62a_100025796157_100000210303 [1,1,0,0,0,0|1,0,1]=4 580 B9R1.12 CCCSc1ncco1 62a_100000210303_100011787736 [1,1,0,0,0,0|0,1,1]=4 581 B9R1.12 CCCSc1ncco1 62a_100011787736_100000210303 [1,1,0,0,0,0|0,1,1]=4 582 B9R1.12 CCCSc1nccs1 62a_100000210303_100000211983 [1,1,0,0,0,0|0,0,1]=3 583 B9R1.12 CCCSc1nccs1 62a_100000211983_100000210303 [1,1,0,0,0,0|0,0,1]=3 584 B9R1.12 CCCSc1ncns1 62a_100000210303_100000693119 [1,1,0,0,0,0|1,0,1]=4 585 B9R1.12 CCCSc1ncns1 62a_100000693119_100000210303 [1,1,0,0,0,0|1,0,1]=4 586 B9R1.12 CCCSc1nncs1 62a_100000210303_100000739804 [1,1,0,0,0,0|1,0,1]=4 587 B9R1.12 CCCSc1nncs1 62a_100000739804_100000210303 [1,1,0,0,0,0|1,0,1]=4 588 B9R1.12 CCNCc1cccs1 207a_100015525214_100000209959 [1,1,0,0,0,0|1,0,1]=4 589 B9R1.12 CCNCc1cccs1 2230a_100000211653_100000210202 [1,1,0,0,0,0|1,0,1]=4 590 B9R1.12 CCNCc1cccs1 270004a_100015525214_100000209959 [1,1,0,0,0,0|1,0,1]=4 591 B9R1.12 CCNCc1ncc[nH]1 207a_100015525214_100000743867 [1,1,0,0,0,0|1,0,1]=4 592 B9R1.12 CCNCc1ncc[nH]1 2230a_100015525214_100016991755 [1,1,0,0,0,0|1,0,1]=4 593 B9R1.12 CCNCc1ncco1 2230a_100015525214_103436540062 [1,1,0,0,0,0|0,1,1]=4 594 B9R1.12 CCNCc1ncco1 2230a_100016994969_100000210202 [1,1,0,0,0,0|0,1,1]=4 595 B9R1.12 CCNCc1ncco1 270004a_100015525214_100000064290 [1,1,0,0,0,0|0,1,1]=4 596 B9R1.12 CCNCc1nccs1 207a_100015525214_100000750902 [1,1,0,0,0,0|0,0,1]=3 597 B9R1.12 CCNCc1nccs1 2230a_100000740555_100000210202 [1,1,0,0,0,0|0,0,1]=3 598 B9R1.12 CCNCc1nccs1 2230a_100015525214_100015184050 [1,1,0,0,0,0|0,0,1]=3 599 B9R1.12 CCNCc1nccs1 270004a_100015525214_100000750902 [1,1,0,0,0,0|0,0,1]=3 600 B9R1.12 CCOCc1cccs1 34a_100000211240_100000210202 [1,1,0,0,0,0|1,0,1]=4 601 B9R1.12 CCOCc1ncc[nH]1 34a_100121572206_100016991755 [1,1,0,0,0,0|1,0,1]=4 602 B9R1.12 CCOCc1ncco1 34a_100000062594_100000210202 [1,1,0,0,0,0|0,1,1]=4 603 B9R1.12 CCOCc1ncco1 34a_100121572206_103436540062 [1,1,0,0,0,0|0,1,1]=4 604 B9R1.12 CCOCc1nccs1 34a_100121572206_100015184050 [1,1,0,0,0,0|0,0,1]=3 605 B9R1.12 CCSCc1ncc[nH]1 62a_100000210202_100016991755 [1,1,0,0,0,0|1,0,1]=4 606 B9R1.12 CCSCc1ncc[nH]1 62a_100016991755_100000210202 [1,1,0,0,0,0|1,0,1]=4 607 B9R1.12 CCSCc1ncco1 62a_100000210202_103436540062 [1,1,0,0,0,0|0,1,1]=4 608 B9R1.12 CCSCc1ncco1 62a_103436540062_100000210202 [1,1,0,0,0,0|0,1,1]=4 609 B9R1.12 CCSCc1nccs1 62a_100000210202_100015184050 [1,1,0,0,0,0|0,0,1]=3 610 B9R1.12 CCSCc1nccs1 62a_100015184050_100000210202 [1,1,0,0,0,0|0,0,1]=3 611 B9R1.12 CNCCc1cccs1 2230a_100000203755_200000210301 [1,1,0,0,0,0|1,0,1]=4 612 B9R1.12 CNCCc1cccs1 2230a_106832991635_100000748579 [1,1,0,0,0,0|1,0,1]=4 613 B9R1.12 CNCCc1cccs1 34a_100000203755_200000210301 [1,1,0,0,0,0|1,0,1]=4 614 B9R1.12 CNCCc1cccs1 34a_100102657272_100000748579 [1,1,0,0,0,0|1,0,1]=4 615 B9R1.12 CNCCc1cccs1 7a_106832991635_100000748579 [1,1,0,0,0,0|1,0,1]=4 616 B9R1.12 CNCCc1nccs1 2230a_100015186391_200000210301 [1,1,0,0,0,0|0,0,1]=3 617 B9R1.12 COCCc1cccs1 34a_100011216825_200000210301 [1,1,0,0,0,0|1,0,1]=4 618 B9R1.12 COCCc1cccs1 34a_100138415774_100000748579 [1,1,0,0,0,0|1,0,1]=4 619 B9R1.12 COCCc1cccs1 7a_100011216825_200000210301 [1,1,0,0,0,0|1,0,1]=4 620 B9R1.12 COCCc1ncc[nH]1 34a_103549771195_200000210301 [1,1,0,0,0,0|1,0,1]=4 621 B9R1.12 COCSc1cccs1 62a_100000766300_100011215356 [1,1,0,0,0,0|2,0,0]=4 622 B9R1.12 COCSc1cccs1 62a_100011215356_100000766300 [1,1,0,0,0,0|2,0,0]=4 623 B9R1.12 COCSc1ncc[nH]1 62a_100000766300_100025796157 [1,1,0,0,0,0|2,0,0]=4 624 B9R1.12 COCSc1ncc[nH]1 62a_100025796157_100000766300 [1,1,0,0,0,0|2,0,0]=4 625 B9R1.12 COCSc1ncco1 62a_100000766300_100011787736 [1,1,0,0,0,0|1,1,0]=4 626 B9R1.12 COCSc1ncco1 62a_100011787736_100000766300 [1,1,0,0,0,0|1,1,0]=4 627 B9R1.12 COCSc1nccs1 62a_100000211983_100000766300 [1,1,0,0,0,0|1,0,0]=3 628 B9R1.12 COCSc1nccs1 62a_100000766300_100000211983 [1,1,0,0,0,0|1,0,0]=3 629 B9R1.12 COCSc1ncns1 62a_100000693119_100000766300 [1,1,0,0,0,0|2,0,0]=4 630 B9R1.12 COCSc1ncns1 62a_100000766300_100000693119 [1,1,0,0,0,0|2,0,0]=4 631 B9R1.12 COCSc1nncs1 62a_100000739804_100000766300 [1,1,0,0,0,0|2,0,0]=4 632 B9R1.12 COCSc1nncs1 62a_100000766300_100000739804 [1,1,0,0,0,0|2,0,0]=4 633 B9R1.12 CSCCc1cccs1 62a_100000748579_200000210301 [1,1,0,0,0,0|1,0,1]=4 634 B9R1.12 CSCCc1cccs1 62a_200000210301_100000748579 [1,1,0,0,0,0|1,0,1]=4 635 B9R1.12 CSCSc1cccs1 62a_100011215356_100011218213 [1,1,0,0,0,0|2,0,0]=4 636 B9R1.12 CSCSc1cccs1 62a_100011218213_100011215356 [1,1,0,0,0,0|2,0,0]=4 637 B9R1.12 CSCSc1ncc[nH]1 62a_100011218213_100025796157 [1,1,0,0,0,0|2,0,0]=4 638 B9R1.12 CSCSc1ncc[nH]1 62a_100025796157_100011218213 [1,1,0,0,0,0|2,0,0]=4 639 B9R1.12 CSCSc1ncco1 62a_100011218213_100011787736 [1,1,0,0,0,0|1,1,0]=4 640 B9R1.12 CSCSc1ncco1 62a_100011787736_100011218213 [1,1,0,0,0,0|1,1,0]=4 641 B9R1.12 CSCSc1nccs1 62a_100000211983_100011218213 [1,1,0,0,0,0|1,0,0]=3 642 B9R1.12 CSCSc1nccs1 62a_100011218213_100000211983 [1,1,0,0,0,0|1,0,0]=3 643 B9R1.12 CSCSc1ncns1 62a_100000693119_100011218213 [1,1,0,0,0,0|2,0,0]=4 644 B9R1.12 CSCSc1ncns1 62a_100011218213_100000693119 [1,1,0,0,0,0|2,0,0]=4 645 B9R1.12 CSCSc1nncs1 62a_100000739804_100011218213 [1,1,0,0,0,0|2,0,0]=4 646 B9R1.12 CSCSc1nncs1 62a_100011218213_100000739804 [1,1,0,0,0,0|2,0,0]=4 647 B9R1.12 FCCSc1cccs1 62a_100011215356_100011217306 [1,1,0,0,0,0|2,0,0]=4 648 B9R1.12 FCCSc1cccs1 62a_100011217306_100011215356 [1,1,0,0,0,0|2,0,0]=4 649 B9R1.12 FCCSc1ncc[nH]1 62a_100011217306_100025796157 [1,1,0,0,0,0|2,0,0]=4 650 B9R1.12 FCCSc1ncc[nH]1 62a_100025796157_100011217306 [1,1,0,0,0,0|2,0,0]=4 651 B9R1.12 FCCSc1ncco1 62a_100011217306_100011787736 [1,1,0,0,0,0|1,1,0]=4 652 B9R1.12 FCCSc1ncco1 62a_100011787736_100011217306 [1,1,0,0,0,0|1,1,0]=4 653 B9R1.12 FCCSc1nccs1 62a_100000211983_100011217306 [1,1,0,0,0,0|1,0,0]=3 654 B9R1.12 FCCSc1nccs1 62a_100011217306_100000211983 [1,1,0,0,0,0|1,0,0]=3 655 B9R1.12 FCCSc1ncns1 62a_100000693119_100011217306 [1,1,0,0,0,0|2,0,0]=4 656 B9R1.12 FCCSc1ncns1 62a_100011217306_100000693119 [1,1,0,0,0,0|2,0,0]=4 657 B9R1.12 FCCSc1nncs1 62a_100000739804_100011217306 [1,1,0,0,0,0|2,0,0]=4 658 B9R1.12 FCCSc1nncs1 62a_100011217306_100000739804 [1,1,0,0,0,0|2,0,0]=4 659 B9R1.12 FCSCc1nccs1 62a_100015184050_100015361967 [1,1,0,0,0,0|1,0,1]=4 660 B9R1.12 FCSCc1nccs1 62a_100015361967_100015184050 [1,1,0,0,0,0|1,0,1]=4 661 B9R1.12 N#CCSc1nccs1 62a_100000211983_100011215382 [1,1,0,0,0,0|1,0,1]=4 662 B9R1.12 N#CCSc1nccs1 62a_100011215382_100000211983 [1,1,0,0,0,0|1,0,1]=4 663 B9R1.12 O=CCSc1nccs1 62a_100000211983_200015260668 [1,1,0,0,0,0|1,0,1]=4 664 B9R1.12 O=CCSc1nccs1 62a_200015260668_100000211983 [1,1,0,0,0,0|1,0,1]=4 665 B9R1.12 OCCNc1ncns1 27a_100000210304_100000693119 [1,1,0,0,0,0|2,0,0]=4 666 B9R1.12 OCCNc1nncs1 27a_100000210304_100000739804 [1,1,0,0,0,0|2,0,0]=4 667 B9R1.12 OCCSc1cccs1 62a_100000211926_100011215356 [1,1,0,0,0,0|2,0,0]=4 668 B9R1.12 OCCSc1cccs1 62a_100011215356_100000211926 [1,1,0,0,0,0|2,0,0]=4 669 B9R1.12 OCCSc1ncc[nH]1 62a_100000211926_100025796157 [1,1,0,0,0,0|2,0,0]=4 670 B9R1.12 OCCSc1ncc[nH]1 62a_100025796157_100000211926 [1,1,0,0,0,0|2,0,0]=4 671 B9R1.12 OCCSc1ncco1 62a_100000211926_100011787736 [1,1,0,0,0,0|1,1,0]=4 672 B9R1.12 OCCSc1ncco1 62a_100011787736_100000211926 [1,1,0,0,0,0|1,1,0]=4 673 B9R1.12 OCCSc1nccs1 62a_100000211926_100000211983 [1,1,0,0,0,0|1,0,0]=3 674 B9R1.12 OCCSc1nccs1 62a_100000211983_100000211926 [1,1,0,0,0,0|1,0,0]=3 675 B9R1.12 OCCSc1ncns1 62a_100000211926_100000693119 [1,1,0,0,0,0|2,0,0]=4 676 B9R1.12 OCCSc1ncns1 62a_100000693119_100000211926 [1,1,0,0,0,0|2,0,0]=4 677 B9R1.12 OCCSc1nncs1 62a_100000211926_100000739804 [1,1,0,0,0,0|2,0,0]=4 678 B9R1.12 OCCSc1nncs1 62a_100000739804_100000211926 [1,1,0,0,0,0|2,0,0]=4 679 B9R1.12 [13CH3]NCCc1cccs1 2230a_100000203755_200025704644 [1,1,0,0,0,0|1,0,1]=4 680 B9R1.12 [13CH3]NCCc1cccs1 34a_100000203755_200025704644 [1,1,0,0,0,0|1,0,1]=4 681 B9R1.12 [13CH3]NCCc1nccs1 2230a_100015186391_200025704644 [1,1,0,0,0,0|0,0,1]=3 682 B9R1.12 [13CH3]OCCc1cccs1 34a_100011216825_200025704644 [1,1,0,0,0,0|1,0,1]=4 683 B9R1.12 [13CH3]OCCc1cccs1 7a_100011216825_200025704644 [1,1,0,0,0,0|1,0,1]=4 684 B9R1.12 [13CH3]OCCc1ncc[nH]1 34a_103549771195_200025704644 [1,1,0,0,0,0|1,0,1]=4 685 B9R1.12 [13CH3]SCCc1cccs1 62a_100000748579_200025704644 [1,1,0,0,0,0|1,0,1]=4 686 B9R1.12 [13CH3]SCCc1cccs1 62a_200025704644_100000748579 [1,1,0,0,0,0|1,0,1]=4 687 B9R1.13 CC(=Cc1cccs1)C 271570a_100102525489_100011215356 [1,1,0,0,0,0|1,0,1]=4 688 B9R1.13 CC(=Cc1ncc[nH]1)C 271570a_100102525489_100025796157 [1,1,0,0,0,0|1,0,1]=4 689 B9R1.13 CC(=Cc1ncco1)C 271570a_100102525489_100011787736 [1,1,0,0,0,0|0,1,1]=4 690 B9R1.13 CC(=Cc1nccs1)C 271570a_100102525489_100000211983 [1,1,0,0,0,0|0,0,1]=3 691 B9R1.13 CC(=Cc1ncns1)C 271570a_100102525489_100000693119 [1,1,0,0,0,0|1,0,1]=4 692 B9R1.13 CC(=Cc1nncs1)C 271570a_100102525489_100000739804 [1,1,0,0,0,0|1,0,1]=4 693 B9R1.13 CC(=O)Cc1nccs1 1458a_100000070787_100015184050 [1,1,0,0,0,0|0,0,2]=4 694 B9R1.13 CC(C)Nc1ncns1 27a_100138425928_100000693119 [1,1,0,0,0,0|2,0,0]=4 695 B9R1.13 CC(C)Nc1nncs1 27a_100138425928_100000739804 [1,1,0,0,0,0|2,0,0]=4 696 B9R1.13 CC(C)Sc1cccs1 62a_100000210206_100011215356 [1,1,0,0,0,0|2,0,0]=4 697 B9R1.13 CC(C)Sc1cccs1 62a_100011215356_100000210206 [1,1,0,0,0,0|2,0,0]=4 698 B9R1.13 CC(C)Sc1ncc[nH]1 62a_100000210206_100025796157 [1,1,0,0,0,0|2,0,0]=4 699 B9R1.13 CC(C)Sc1ncc[nH]1 62a_100025796157_100000210206 [1,1,0,0,0,0|2,0,0]=4 700 B9R1.13 CC(C)Sc1ncco1 62a_100000210206_100011787736 [1,1,0,0,0,0|1,1,0]=4 701 B9R1.13 CC(C)Sc1ncco1 62a_100011787736_100000210206 [1,1,0,0,0,0|1,1,0]=4 702 B9R1.13 CC(C)Sc1nccs1 62a_100000210206_100000211983 [1,1,0,0,0,0|1,0,0]=3 703 B9R1.13 CC(C)Sc1nccs1 62a_100000211983_100000210206 [1,1,0,0,0,0|1,0,0]=3 704 B9R1.13 CC(C)Sc1ncns1 62a_100000210206_100000693119 [1,1,0,0,0,0|2,0,0]=4 705 B9R1.13 CC(C)Sc1ncns1 62a_100000693119_100000210206 [1,1,0,0,0,0|2,0,0]=4 706 B9R1.13 CC(C)Sc1nncs1 62a_100000210206_100000739804 [1,1,0,0,0,0|2,0,0]=4 707 B9R1.13 CC(C)Sc1nncs1 62a_100000739804_100000210206 [1,1,0,0,0,0|2,0,0]=4 708 B9R1.13 CN(C)Cc1nccs1 2230a_100000765864_200000210301 [1,1,0,0,0,0|1,0,1]=4 709 B9R1.13 CN(C)Cc1nccs1 2230a_100102631434_100015184050 [1,1,0,0,0,0|1,0,1]=4 710 B9R1.13 CN(C)Cc1nccs1 269982a_100000765864_200000210301 [1,1,0,0,0,0|1,0,1]=4 711 B9R1.13 CN(C)Cc1nccs1 269982a_100102631434_100015184050 [1,1,0,0,0,0|1,0,1]=4 712 B9R1.13 CN(C)Cc1nccs1 270004a_100102631434_100000750902 [1,1,0,0,0,0|1,0,1]=4 713 B9R1.13 CN([13CH3])Cc1nccs1 2230a_100000765864_200025704644 [1,1,0,0,0,0|1,0,1]=4 714 B9R1.13 CN([13CH3])Cc1nccs1 269982a_100000765864_200025704644 [1,1,0,0,0,0|1,0,1]=4 715 B9R1.33 CC=Cc1nccn1C 271570a_100016259895_100000707724 [1,1,0,0,0,0|1,0,1]=4 716 B9R1.33 CC=Cc1sccc1Br 271570a_100016259895_100012361411 [1,1,0,0,0,0|1,0,1]=4 717 B9R1.33 CC=Cc1sccc1C 271570a_100016259895_100000742657 [1,1,0,0,0,0|1,0,1]=4 718 B9R1.33 CCSc1nccn1C 62a_100000210202_100000707724 [1,1,0,0,0,0|2,0,0]=4 719 B9R1.33 CCSc1nccn1C 62a_100000707724_100000210202 [1,1,0,0,0,0|2,0,0]=4 720 B9R1.33 CCSc1sccc1Br 62a_100000210202_100012361411 [1,1,0,0,0,0|2,0,0]=4 721 B9R1.33 CCSc1sccc1Br 62a_100012361411_100000210202 [1,1,0,0,0,0|2,0,0]=4 722 B9R1.33 CCSc1sccc1C 62a_100000210202_100010247149 [1,1,0,0,0,0|2,0,0]=4 723 B9R1.33 CCSc1sccc1C 62a_100010247149_100000210202 [1,1,0,0,0,0|2,0,0]=4 724 B11R1.16 CCCC(=O)c1ccccc1 1458a_100000185807_100000210303 [0,1,0,0,0,1|2,0,0]=4 725 B11R1.16 CCNC(=O)c1ccccc1 11a_100015525214_100000185807 [0,1,0,0,0,1|2,0,0]=4 726 B11R1.16 CCNC(=O)c1ccccc1 240690a_100015525214_100000185807 [0,1,0,0,0,1|2,0,0]=4 727 B11R1.16 CCNC(=O)c1ccccc1 527a_100015525214_100000185807 [0,1,0,0,0,1|2,0,0]=4 728 B11R1.16 CNCC(=O)c1ccccc1 7a_106832991635_100000211460 [0,1,0,0,0,1|2,0,0]=4 729 B11R1.16 CNCC(=O)c1ccccn1 34a_100102657272_100000027445 [0,1,0,0,0,1|1,0,0]=3 730 B11R1.16 CNCC(=O)c1ccccn1 7a_106832991635_100000027445 [0,1,0,0,0,1|1,0,0]=3 731 B11R1.16 CNCC(=O)c1ccncc1 7a_106832991635_100015248511 [0,1,0,0,0,1|2,0,0]=4 732 B11R1.16 COCC(=O)c1ccccn1 34a_100138415774_100000027445 [0,1,0,0,0,1|1,0,0]=3 733 B11R1.16 CSCC(=O)c1ccccc1 62a_100000211460_200000210301 [0,1,0,0,0,1|2,0,0]=4 734 B11R1.16 CSCC(=O)c1ccccc1 62a_200000210301_100000211460 [0,1,0,0,0,1|2,0,0]=4 735 B11R1.16 CSCC(=O)c1ccccn1 62a_100000027445_200000210301 [0,1,0,0,0,1|1,0,0]=3 736 B11R1.16 CSCC(=O)c1ccccn1 62a_200000210301_100000027445 [0,1,0,0,0,1|1,0,0]=3 737 B11R1.16 CSCC(=O)c1cccnc1 62a_100000757877_200000210301 [0,1,0,0,0,1|1,0,0]=3 738 B11R1.16 CSCC(=O)c1cccnc1 62a_200000210301_100000757877 [0,1,0,0,0,1|1,0,0]=3 739 B11R1.16 CSCC(=O)c1ccncc1 62a_100000027454_200000210301 [0,1,0,0,0,1|2,0,0]=4 740 B11R1.16 CSCC(=O)c1ccncc1 62a_200000210301_100000027454 [0,1,0,0,0,1|2,0,0]=4 741 B11R1.16 CSCC(=O)c1ncccn1 62a_100020636365_200000210301 [0,1,0,0,0,1|1,0,0]=3 742 B11R1.16 CSCC(=O)c1ncccn1 62a_200000210301_100020636365 [0,1,0,0,0,1|1,0,0]=3 743 B11R1.16 O=C(CCF)c1ccccc1 1458a_100000185807_100011217306 [0,1,0,0,0,1|2,0,0]=4 744 B11R1.16 O=C(CCO)c1ccccc1 1458a_100000185807_100000211926 [0,1,0,0,0,1|2,0,0]=4 745 B11R1.16 [13CH3]SCC(=O)c1ccccc1 62a_100000211460_200025704644 [0,1,0,0,0,1|2,0,0]=4 746 B11R1.16 [13CH3]SCC(=O)c1ccccc1 62a_200025704644_100000211460 [0,1,0,0,0,1|2,0,0]=4 747 B11R1.16 [13CH3]SCC(=O)c1ccccn1 62a_100000027445_200025704644 [0,1,0,0,0,1|1,0,0]=3 748 B11R1.16 [13CH3]SCC(=O)c1ccccn1 62a_200025704644_100000027445 [0,1,0,0,0,1|1,0,0]=3 749 B11R1.16 [13CH3]SCC(=O)c1cccnc1 62a_100000757877_200025704644 [0,1,0,0,0,1|1,0,0]=3 750 B11R1.16 [13CH3]SCC(=O)c1cccnc1 62a_200025704644_100000757877 [0,1,0,0,0,1|1,0,0]=3 751 B11R1.16 [13CH3]SCC(=O)c1ccncc1 62a_100000027454_200025704644 [0,1,0,0,0,1|2,0,0]=4 752 B11R1.16 [13CH3]SCC(=O)c1ccncc1 62a_200025704644_100000027454 [0,1,0,0,0,1|2,0,0]=4 753 B11R1.16 [13CH3]SCC(=O)c1ncccn1 62a_100020636365_200025704644 [0,1,0,0,0,1|1,0,0]=3 754 B11R1.16 [13CH3]SCC(=O)c1ncccn1 62a_200025704644_100020636365 [0,1,0,0,0,1|1,0,0]=3 755 B11R1.22 CCC(=O)C1=NNC(=O)CC1 1458a_100000183032_100000210202 [0,1,0,0,0,1|1,0,1]=4 756 B11R1.22 CCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000210202 [0,1,0,0,0,1|2,0,0]=4 757 B11R1.22 CCC(=O)c1ccc(cc1)C 1458a_100000188618_100000210202 [0,1,0,0,0,1|2,0,0]=4 758 B11R1.22 CCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000210202 [0,1,0,0,0,1|2,0,0]=4 759 B11R1.22 CCC(=O)c1ccc(cc1)F 1458a_100000187176_100000210202 [0,1,0,0,0,1|2,0,0]=4 760 B11R1.22 CCC(=O)c1ccc(cc1)I 1458a_100000187904_100000210202 [0,1,0,0,0,1|2,0,0]=4 761 B11R1.22 CCC(=O)c1ccc(cc1)O 1458a_100000212099_100000210202 [0,1,0,0,0,1|2,0,0]=4 762 B11R1.22 CCC(=O)c1ccc(cc1)O 271570a_203496583355_100000211647 [0,1,0,0,0,1|2,0,0]=4 763 B11R1.22 CCC(=O)c1ccc(cn1)O 271570a_203496583355_100012351654 [0,1,0,0,0,1|1,0,0]=3 764 B11R1.22 CCC(=O)c1ncc(cn1)O 271570a_203496583355_200010116844 [0,1,0,0,0,1|1,0,0]=3 765 B11R1.22 CNC(=O)c1ccc(cn1)O 271570a_203496583355_100011781262 [0,1,0,0,0,1|2,0,0]=4 766 B11R1.22 CNC(=O)c1ccc(nc1)O 271570a_203496583355_100000159860 [0,1,0,0,0,1|2,0,0]=4 767 B11R1.22 CNC(=O)c1ncc(cn1)O 271570a_203496583355_200010127873 [0,1,0,0,0,1|2,0,0]=4 768 B11R1.22 COC(=O)c1ccc(cn1)O 271570a_203496583355_100000690920 [0,1,0,0,0,1|2,0,0]=4 769 B11R1.22 COC(=O)c1ccc(nc1)O 271570a_203496583355_100000733799 [0,1,0,0,0,1|2,0,0]=4 770 B11R1.22 COC(=O)c1ccc(nn1)O 271570a_203496583355_100009816182 [0,1,0,0,0,1|2,0,0]=4 771 B11R1.22 COC(=O)c1cnc(cn1)O 271570a_203496583355_100010219404 [0,1,0,0,0,1|2,0,0]=4 772 B11R1.22 COC(=O)c1ncc(cn1)O 271570a_203496583355_100000690087 [0,1,0,0,0,1|2,0,0]=4 773 B11R1.23 CCC(=O)c1cc(ccn1)O 271570a_203496583355_200000094848 [0,1,0,0,0,1|1,0,0]=3 774 B11R1.23 CCC(=O)c1cccc(c1)Br 1458a_100000210664_100000210202 [0,1,0,0,0,1|2,0,0]=4 775 B11R1.23 CCC(=O)c1cccc(c1)C 1458a_100000189346_100000210202 [0,1,0,0,0,1|2,0,0]=4 776 B11R1.23 CCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000210202 [0,1,0,0,0,1|2,0,0]=4 777 B11R1.23 CCC(=O)c1cccc(c1)F 1458a_100000210950_100000210202 [0,1,0,0,0,1|2,0,0]=4 778 B11R1.23 CCC(=O)c1cccc(c1)I 1458a_100000184098_100000210202 [0,1,0,0,0,1|2,0,0]=4 779 B11R1.23 CCC(=O)c1cccc(c1)O 1458a_100000183914_100000210202 [0,1,0,0,0,1|2,0,0]=4 780 B11R1.23 CCC(=O)c1cccc(c1)O 271570a_203496583355_100000211677 [0,1,0,0,0,1|2,0,0]=4 781 B11R1.23 CCC(=O)c1cccc(n1)O 271570a_203496583355_100011004013 [0,1,0,0,0,1|1,0,0]=3 782 B11R1.23 CNC(=O)c1cc(ccn1)O 271570a_203496583355_100000204654 [0,1,0,0,0,1|2,0,0]=4 783 B11R1.23 CNC(=O)c1cccc(n1)O 271570a_203496583355_100000755456 [0,1,0,0,0,1|2,0,0]=4 784 B11R1.23 CNC(=O)c1cncc(c1)O 271570a_203496583355_200000155086 [0,1,0,0,0,1|2,0,0]=4 785 B11R1.23 COC(=O)c1cc(ccn1)O 271570a_203496583355_100000693414 [0,1,0,0,0,1|2,0,0]=4 786 B11R1.23 COC(=O)c1cc(ncn1)O 271570a_203496583355_100000051410 [0,1,0,0,0,1|2,0,0]=4 787 B11R1.23 COC(=O)c1cccc(n1)O 271570a_203496583355_100000708286 [0,1,0,0,0,1|2,0,0]=4 788 B11R1.23 COC(=O)c1ccnc(n1)O 271570a_203496583355_100000070389 [0,1,0,0,0,1|2,0,0]=4 789 B11R1.23 COC(=O)c1cncc(c1)O 271570a_203496583355_100000148912 [0,1,0,0,0,1|2,0,0]=4 790 B11R1.23 COC(=O)c1cncc(n1)O 271570a_203496583355_100000765340 [0,1,0,0,0,1|2,0,0]=4 791 B11R1.36 CC(C)C(=O)c1ccccc1 1458a_100000185807_100000210206 [0,1,0,0,0,1|2,0,0]=4 792 B11R1.222 CCC(=O)c1ccccc1Br 1458a_100000188424_100000210202 [0,1,0,0,0,1|2,0,0]=4 793 B11R1.222 CCC(=O)c1ccccc1C 1458a_100000212026_100000210202 [0,1,0,0,0,1|2,0,0]=4 794 B11R1.222 CCC(=O)c1ccccc1Cl 1458a_100000185844_100000210202 [0,1,0,0,0,1|2,0,0]=4 795 B11R1.222 CCC(=O)c1ccccc1F 1458a_100000188656_100000210202 [0,1,0,0,0,1|2,0,0]=4 796 B11R1.222 CCC(=O)c1ccccc1I 1458a_100000187884_100000210202 [0,1,0,0,0,1|2,0,0]=4 797 B11R1.222 CCC(=O)c1ccccc1O 1458a_100015234032_100000210202 [0,1,0,0,0,1|2,0,0]=4 798 B11R1.222 CCC(=O)c1ccccc1[O-] 1458a_100009911694_100000210202 [0,1,0,0,0,1|2,0,0]=4 799 B11R1.222 CNC(=O)c1cccnc1O 271570a_203496583355_100000159833 [0,1,0,0,0,1|2,0,0]=4 800 B11R1.222 COC(=O)c1cccnc1O 271570a_203496583355_100000150852 [0,1,0,0,0,1|2,0,0]=4 801 B11R1.222 COC(=O)c1cnccc1O 271570a_203496583355_100020629055 [0,1,0,0,0,1|2,0,0]=4 802 B11R1.222 COC(=O)c1ncccc1O 271570a_203496583355_100011935214 [0,1,0,0,0,1|2,0,0]=4 803 B11R1.222 COC(=O)c1nccnc1O 271570a_203496583355_100000688410 [0,1,0,0,0,1|2,0,0]=4 804 B11R1.222 COC(=O)c1ncncc1O 271570a_203496583355_100012360100 [0,1,0,0,0,1|2,0,0]=4 805 B11R1.30 C#CCC(=O)Cc1cccs1 1458a_100000210189_100000184674 [0,1,0,0,0,1|1,0,1]=4 806 B11R1.30 C#CCC(=O)Cc1ncco1 1458a_100011220946_103436540062 [0,1,0,0,0,1|0,1,1]=4 807 B11R1.30 C#CCC(=O)Cc1nccs1 1458a_100011220946_100015184050 [0,1,0,0,0,1|0,0,1]=3 808 B11R1.30 C=CCC(=O)Cc1cccs1 1458a_100000210189_100000210623 [0,1,0,0,0,1|1,0,1]=4 809 B11R1.30 C=CCC(=O)Cc1ncco1 1458a_100000210193_103436540062 [0,1,0,0,0,1|0,1,1]=4 810 B11R1.30 C=CCC(=O)Cc1nccs1 1458a_100000210193_100015184050 [0,1,0,0,0,1|0,0,1]=3 811 B11R1.30 CC#CC(=O)Cc1ncco1 1458a_100000763181_103436540062 [0,1,0,0,0,1|0,1,1]=4 812 B11R1.30 CC#CC(=O)Cc1nccs1 1458a_100000763181_100015184050 [0,1,0,0,0,1|0,0,1]=3 813 B11R1.30 CC(CCO)Sc1nccs1 62a_100000211983_100009893172 [0,1,0,0,0,1|1,0,1]=4 814 B11R1.30 CC(CCO)Sc1nccs1 62a_100009893172_100000211983 [0,1,0,0,0,1|1,0,1]=4 815 B11R1.30 CC=CC(=O)Cc1ncco1 1458a_100000210699_103436540062 [0,1,0,0,0,1|0,1,1]=4 816 B11R1.30 CC=CC(=O)Cc1nccs1 1458a_100000210699_100015184050 [0,1,0,0,0,1|0,0,1]=3 817 B11R1.30 CCCC(=O)Cc1c[nH]cn1 1458a_100000211992_100000707719 [0,1,0,0,0,1|2,0,0]=4 818 B11R1.30 CCCC(=O)Cc1c[nH]cn1 1458a_100015291406_100000210303 [0,1,0,0,0,1|2,0,0]=4 819 B11R1.30 CCCC(=O)Cc1ccc[nH]1 1458a_100000238377_100000210303 [0,1,0,0,0,1|1,0,1]=4 820 B11R1.30 CCCC(=O)Cc1ccco1 1458a_100011217309_100000210303 [0,1,0,0,0,1|1,1,0]=4 821 B11R1.30 CCCC(=O)Cc1cccs1 1458a_100000210189_100000210303 [0,1,0,0,0,1|1,0,0]=3 822 B11R1.30 CCCC(=O)Cc1ccon1 1458a_100000211992_100000234950 [0,1,0,0,0,1|2,0,0]=4 823 B11R1.30 CCCC(=O)Cc1cncs1 1458a_100000211992_100015185245 [0,1,0,0,0,1|2,0,0]=4 824 B11R1.30 CCCC(=O)Cc1cscn1 1458a_100000211992_100000205941 [0,1,0,0,0,1|2,0,0]=4 825 B11R1.30 CCCC(=O)Cc1cscn1 1458a_100011438297_100000210303 [0,1,0,0,0,1|2,0,0]=4 826 B11R1.30 CCCC(=O)Cc1ncco1 1458a_100000211992_103436540062 [0,1,0,0,0,1|0,1,0]=3 827 B11R1.30 CCCC(=O)Cc1nccs1 1458a_100000211992_100015184050 [0,1,0,0,0,1|0,0,0]=2 828 B11R1.30 CCCC(=O)Cn1cccn1 1458a_100000233772_100000210303 [0,1,0,0,0,1|2,0,0]=4 829 B11R1.30 CCCC(=O)Cn1nccn1 1458a_100000080817_100000210303 [0,1,0,0,0,1|2,0,0]=4 830 B11R1.30 CCCC(C)Sc1nccs1 62a_100000211983_100000766640 [0,1,0,0,0,1|1,0,1]=4 831 B11R1.30 CCCC(C)Sc1nccs1 62a_100000766640_100000211983 [0,1,0,0,0,1|1,0,1]=4 832 B11R1.30 CCCN(C)Cc1nccs1 2230a_100000747261_100015184050 [0,1,0,0,0,1|2,0,0]=4 833 B11R1.30 CCCN(C)Cc1nccs1 2230a_100000765864_100000210303 [0,1,0,0,0,1|2,0,0]=4 834 B11R1.30 CCCN(C)Cc1nccs1 269982a_100000747261_100015184050 [0,1,0,0,0,1|2,0,0]=4 835 B11R1.30 CCCN(C)Cc1nccs1 269982a_100000765864_100000210303 [0,1,0,0,0,1|2,0,0]=4 836 B11R1.30 CCCN(C)Cc1nccs1 270004a_100000747261_100000750902 [0,1,0,0,0,1|2,0,0]=4 837 B11R1.30 CCNC(=O)Cc1c[nH]cn1 240690a_100015525214_100015291406 [0,1,0,0,0,1|2,0,0]=4 838 B11R1.30 CCNC(=O)Cc1ccc[nH]1 11a_100015525214_100000238377 [0,1,0,0,0,1|1,0,1]=4 839 B11R1.30 CCNC(=O)Cc1ccc[nH]1 240690a_100015525214_100000238377 [0,1,0,0,0,1|1,0,1]=4 840 B11R1.30 CCNC(=O)Cc1ccc[nH]1 527a_100015525214_100000238377 [0,1,0,0,0,1|1,0,1]=4 841 B11R1.30 CCNC(=O)Cc1ccco1 11a_100015525214_100011217309 [0,1,0,0,0,1|1,1,0]=4 842 B11R1.30 CCNC(=O)Cc1ccco1 527a_100015525214_100011217309 [0,1,0,0,0,1|1,1,0]=4 843 B11R1.30 CCNC(=O)Cc1cccs1 11a_100015525214_100000210189 [0,1,0,0,0,1|1,0,0]=3 844 B11R1.30 CCNC(=O)Cc1cccs1 240690a_100015525214_100000210189 [0,1,0,0,0,1|1,0,0]=3 845 B11R1.30 CCNC(=O)Cc1cscn1 11a_100015525214_100011438297 [0,1,0,0,0,1|2,0,0]=4 846 B11R1.30 CCNC(=O)Cc1cscn1 240690a_100015525214_100011438297 [0,1,0,0,0,1|2,0,0]=4 847 B11R1.30 CCNC(=O)Cc1cscn1 527a_100015525214_100011438297 [0,1,0,0,0,1|2,0,0]=4 848 B11R1.30 CCNC(=O)Cn1cccn1 11a_100015525214_100000233772 [0,1,0,0,0,1|2,0,0]=4 849 B11R1.30 CCNC(=O)Cn1cccn1 240690a_100015525214_100000233772 [0,1,0,0,0,1|2,0,0]=4 850 B11R1.30 CCNC(=O)Cn1cccn1 527a_100015525214_100000233772 [0,1,0,0,0,1|2,0,0]=4 851 B11R1.30 CCNC(=O)Cn1nccn1 11a_100015525214_100000080817 [0,1,0,0,0,1|2,0,0]=4 852 B11R1.30 CCNC(=O)Cn1nccn1 240690a_100015525214_100000080817 [0,1,0,0,0,1|2,0,0]=4 853 B11R1.30 CCNC(=O)Cn1nccn1 527a_100015525214_100000080817 [0,1,0,0,0,1|2,0,0]=4 854 B11R1.30 CN(CCF)Cc1nccs1 2230a_100000765864_100011217306 [0,1,0,0,0,1|2,0,0]=4 855 B11R1.30 CN(CCF)Cc1nccs1 269982a_100000765864_100011217306 [0,1,0,0,0,1|2,0,0]=4 856 B11R1.30 CN(CCO)Cc1nccs1 2230a_100000210263_100015184050 [0,1,0,0,0,1|2,0,0]=4 857 B11R1.30 CN(CCO)Cc1nccs1 2230a_100000765864_100000211926 [0,1,0,0,0,1|2,0,0]=4 858 B11R1.30 CN(CCO)Cc1nccs1 2230a_200015185061_200000210301 [0,1,0,0,0,1|2,0,0]=4 859 B11R1.30 CN(CCO)Cc1nccs1 269982a_100000210263_100015184050 [0,1,0,0,0,1|2,0,0]=4 860 B11R1.30 CN(CCO)Cc1nccs1 269982a_100000765864_100000211926 [0,1,0,0,0,1|2,0,0]=4 861 B11R1.30 CN(CCO)Cc1nccs1 269982a_200015185061_200000210301 [0,1,0,0,0,1|2,0,0]=4 862 B11R1.30 CN(CCO)Cc1nccs1 270004a_100000210263_100000750902 [0,1,0,0,0,1|2,0,0]=4 863 B11R1.30 CNCC(=O)Nc1ccon1 2230a_106832991635_100000239699 [0,1,0,0,0,1|2,0,0]=4 864 B11R1.30 CNCC(=O)Nc1ccon1 7a_106832991635_100000239699 [0,1,0,0,0,1|2,0,0]=4 865 B11R1.30 CNCC(=O)Nc1nccs1 2230a_106832991635_100000183294 [0,1,0,0,0,1|0,0,0]=2 866 B11R1.30 CNCC(=O)Nc1nccs1 7a_106832991635_100000183294 [0,1,0,0,0,1|0,0,0]=2 867 B11R1.30 CNCC(=O)Nc1nncs1 2230a_106832991635_100000184940 [0,1,0,0,0,1|1,0,0]=3 868 B11R1.30 CNCC(=O)Nc1nncs1 7a_106832991635_100000184940 [0,1,0,0,0,1|1,0,0]=3 869 B11R1.30 CNNC(=O)Cc1cccs1 22a_100016993582_100000210189 [0,1,0,0,0,1|2,0,0]=4 870 B11R1.30 COCC(=O)Cc1c[nH]cn1 1458a_100000210968_100000707719 [0,1,0,0,0,1|2,0,0]=4 871 B11R1.30 COCC(=O)Cc1ccon1 1458a_100000210968_100000234950 [0,1,0,0,0,1|2,0,0]=4 872 B11R1.30 COCC(=O)Cc1cncs1 1458a_100000210968_100015185245 [0,1,0,0,0,1|2,0,0]=4 873 B11R1.30 COCC(=O)Cc1cscn1 1458a_100000210968_100000205941 [0,1,0,0,0,1|2,0,0]=4 874 B11R1.30 COCC(=O)Cc1ncco1 1458a_100000210968_103436540062 [0,1,0,0,0,1|0,1,0]=3 875 B11R1.30 COCC(=O)Cc1nccs1 1458a_100000210968_100015184050 [0,1,0,0,0,1|0,0,0]=2 876 B11R1.30 COCC(C)Sc1nccs1 62a_100000211983_100000765312 [0,1,0,0,0,1|1,0,1]=4 877 B11R1.30 COCC(C)Sc1nccs1 62a_100000765312_100000211983 [0,1,0,0,0,1|1,0,1]=4 878 B11R1.30 COCN(C)Cc1nccs1 2230a_100000765864_100000766300 [0,1,0,0,0,1|2,0,0]=4 879 B11R1.30 COCN(C)Cc1nccs1 269982a_100000765864_100000766300 [0,1,0,0,0,1|2,0,0]=4 880 B11R1.30 CSCC(=O)Cc1c[nH]cn1 1458a_100000184570_100000707719 [0,1,0,0,0,1|2,0,0]=4 881 B11R1.30 CSCC(=O)Cc1ccon1 1458a_100000184570_100000234950 [0,1,0,0,0,1|2,0,0]=4 882 B11R1.30 CSCC(=O)Cc1cncs1 1458a_100000184570_100015185245 [0,1,0,0,0,1|2,0,0]=4 883 B11R1.30 CSCC(=O)Cc1cscn1 1458a_100000184570_100000205941 [0,1,0,0,0,1|2,0,0]=4 884 B11R1.30 CSCC(=O)Cc1ncco1 1458a_100000184570_103436540062 [0,1,0,0,0,1|0,1,0]=3 885 B11R1.30 CSCC(=O)Cc1nccs1 1458a_100000184570_100015184050 [0,1,0,0,0,1|0,0,0]=2 886 B11R1.30 CSCC(=O)NC1=NCCS1 62a_200000210301_200000080056 [0,1,0,0,0,1|0,0,2]=4 887 B11R1.30 CSCC(=O)Nc1ccon1 62a_100000239699_200000210301 [0,1,0,0,0,1|2,0,0]=4 888 B11R1.30 CSCC(=O)Nc1ccon1 62a_200000210301_100000239699 [0,1,0,0,0,1|2,0,0]=4 889 B11R1.30 CSCC(=O)Nc1nccs1 62a_100000183294_200000210301 [0,1,0,0,0,1|0,0,0]=2 890 B11R1.30 CSCC(=O)Nc1nccs1 62a_200000210301_100000183294 [0,1,0,0,0,1|0,0,0]=2 891 B11R1.30 CSCC(=O)Nc1nncs1 62a_200000210301_100000184940 [0,1,0,0,0,1|1,0,0]=3 892 B11R1.30 CSCN(C)Cc1nccs1 2230a_100000765864_100011218213 [0,1,0,0,0,1|2,0,0]=4 893 B11R1.30 CSCN(C)Cc1nccs1 269982a_100000765864_100011218213 [0,1,0,0,0,1|2,0,0]=4 894 B11R1.30 N#CCC(=O)Cc1cccs1 1458a_100000210189_100011214920 [0,1,0,0,0,1|1,0,1]=4 895 B11R1.30 N#CCC(=O)Cc1ncco1 1458a_100051588842_103436540062 [0,1,0,0,0,1|0,1,1]=4 896 B11R1.30 N#CCC(=O)Cc1nccs1 1458a_100051588842_100015184050 [0,1,0,0,0,1|0,0,1]=3 897 B11R1.30 O=C(C=CBr)Cc1nccs1 1458a_100016273825_100015184050 [0,1,0,0,0,1|0,0,2]=4 898 B11R1.30 O=C(C=CCl)Cc1nccs1 1458a_200016279998_100015184050 [0,1,0,0,0,1|0,0,2]=4 899 B11R1.30 O=C(C=CI)Cc1nccs1 1458a_100016256311_100015184050 [0,1,0,0,0,1|0,0,2]=4 900 B11R1.30 O=C(CCF)Cc1c[nH]cn1 1458a_100015291406_100011217306 [0,1,0,0,0,1|2,0,0]=4 901 B11R1.30 O=C(CCF)Cc1ccc[nH]1 1458a_100000238377_100011217306 [0,1,0,0,0,1|1,0,1]=4 902 B11R1.30 O=C(CCF)Cc1ccco1 1458a_100011217309_100011217306 [0,1,0,0,0,1|1,1,0]=4 903 B11R1.30 O=C(CCF)Cc1cccs1 1458a_100000210189_100011217306 [0,1,0,0,0,1|1,0,0]=3 904 B11R1.30 O=C(CCF)Cc1cscn1 1458a_100011438297_100011217306 [0,1,0,0,0,1|2,0,0]=4 905 B11R1.30 O=C(CCF)Cn1cccn1 1458a_100000233772_100011217306 [0,1,0,0,0,1|2,0,0]=4 906 B11R1.30 O=C(CCF)Cn1nccn1 1458a_100000080817_100011217306 [0,1,0,0,0,1|2,0,0]=4 907 B11R1.30 O=C(CCO)Cc1c[nH]cn1 1458a_100011216618_100000707719 [0,1,0,0,0,1|2,0,0]=4 908 B11R1.30 O=C(CCO)Cc1c[nH]cn1 1458a_100015291406_100000211926 [0,1,0,0,0,1|2,0,0]=4 909 B11R1.30 O=C(CCO)Cc1ccc[nH]1 1458a_100000238377_100000211926 [0,1,0,0,0,1|1,0,1]=4 910 B11R1.30 O=C(CCO)Cc1ccco1 1458a_100011217309_100000211926 [0,1,0,0,0,1|1,1,0]=4 911 B11R1.30 O=C(CCO)Cc1cccs1 1458a_100000210189_100000211926 [0,1,0,0,0,1|1,0,0]=3 912 B11R1.30 O=C(CCO)Cc1ccon1 1458a_100011216618_100000234950 [0,1,0,0,0,1|2,0,0]=4 913 B11R1.30 O=C(CCO)Cc1cncs1 1458a_100011216618_100015185245 [0,1,0,0,0,1|2,0,0]=4 914 B11R1.30 O=C(CCO)Cc1cscn1 1458a_100011216618_100000205941 [0,1,0,0,0,1|2,0,0]=4 915 B11R1.30 O=C(CCO)Cc1cscn1 1458a_100011438297_100000211926 [0,1,0,0,0,1|2,0,0]=4 916 B11R1.30 O=C(CCO)Cc1ncco1 1458a_100011216618_103436540062 [0,1,0,0,0,1|0,1,0]=3 917 B11R1.30 O=C(CCO)Cc1nccs1 1458a_100011216618_100015184050 [0,1,0,0,0,1|0,0,0]=2 918 B11R1.30 O=C(CCO)Cn1cccn1 1458a_100000233772_100000211926 [0,1,0,0,0,1|2,0,0]=4 919 B11R1.30 O=C(CCO)Cn1nccn1 1458a_100000080817_100000211926 [0,1,0,0,0,1|2,0,0]=4 920 B11R1.30 [13CH3]N(CCO)Cc1nccs1 2230a_200015185061_200025704644 [0,1,0,0,0,1|2,0,0]=4 921 B11R1.30 [13CH3]N(CCO)Cc1nccs1 269982a_200015185061_200025704644 [0,1,0,0,0,1|2,0,0]=4 922 B11R1.30 [13CH3]SCC(=O)NC1=NCCS1 62a_200025704644_200000080056 [0,1,0,0,0,1|0,0,2]=4 923 B11R1.30 [13CH3]SCC(=O)Nc1ccon1 62a_100000239699_200025704644 [0,1,0,0,0,1|2,0,0]=4 924 B11R1.30 [13CH3]SCC(=O)Nc1ccon1 62a_200025704644_100000239699 [0,1,0,0,0,1|2,0,0]=4 925 B11R1.30 [13CH3]SCC(=O)Nc1nccs1 62a_100000183294_200025704644 [0,1,0,0,0,1|0,0,0]=2 926 B11R1.30 [13CH3]SCC(=O)Nc1nccs1 62a_200025704644_100000183294 [0,1,0,0,0,1|0,0,0]=2 927 B11R1.30 [13CH3]SCC(=O)Nc1nncs1 62a_200025704644_100000184940 [0,1,0,0,0,1|1,0,0]=3 928 B11R1.31 CCN(C)C(C)c1nccs1 2230a_103437849288_100000210202 [0,1,0,0,0,1|2,0,0]=4 929 B11R1.31 CCN(C)C(C)c1nccs1 269982a_103437849288_100000204670 [0,1,0,0,0,1|2,0,0]=4 930 B11R1.35 C=C(C)C(=O)Cc1ncco1 1458a_100000185857_103436540062 [0,1,0,0,0,1|0,1,1]=4 931 B11R1.35 C=C(C)C(=O)Cc1nccs1 1458a_100000185857_100015184050 [0,1,0,0,0,1|0,0,1]=3 932 B11R1.35 CC(=O)C(=O)Nc1nncs1 1458a_200011297139_200000210301 [0,1,0,0,0,1|1,0,1]=4 933 B11R1.35 CC(C)C(=O)Cc1c[nH]cn1 1458a_100000210198_100000707719 [0,1,0,0,0,1|2,0,0]=4 934 B11R1.35 CC(C)C(=O)Cc1c[nH]cn1 1458a_100015291406_100000210206 [0,1,0,0,0,1|2,0,0]=4 935 B11R1.35 CC(C)C(=O)Cc1ccc[nH]1 1458a_100000238377_100000210206 [0,1,0,0,0,1|1,0,1]=4 936 B11R1.35 CC(C)C(=O)Cc1ccco1 1458a_100011217309_100000210206 [0,1,0,0,0,1|1,1,0]=4 937 B11R1.35 CC(C)C(=O)Cc1cccs1 1458a_100000210189_100000210206 [0,1,0,0,0,1|1,0,0]=3 938 B11R1.35 CC(C)C(=O)Cc1ccon1 1458a_100000210198_100000234950 [0,1,0,0,0,1|2,0,0]=4 939 B11R1.35 CC(C)C(=O)Cc1cncs1 1458a_100000210198_100015185245 [0,1,0,0,0,1|2,0,0]=4 940 B11R1.35 CC(C)C(=O)Cc1cscn1 1458a_100000210198_100000205941 [0,1,0,0,0,1|2,0,0]=4 941 B11R1.35 CC(C)C(=O)Cc1cscn1 1458a_100011438297_100000210206 [0,1,0,0,0,1|2,0,0]=4 942 B11R1.35 CC(C)C(=O)Cc1ncco1 1458a_100000210198_103436540062 [0,1,0,0,0,1|0,1,0]=3 943 B11R1.35 CC(C)C(=O)Cc1nccs1 1458a_100000210198_100015184050 [0,1,0,0,0,1|0,0,0]=2 944 B11R1.35 CC(C)C(=O)Cn1cccn1 1458a_100000233772_100000210206 [0,1,0,0,0,1|2,0,0]=4 945 B11R1.35 CC(C)C(=O)Cn1nccn1 1458a_100000080817_100000210206 [0,1,0,0,0,1|2,0,0]=4 946 B11R1.35 CC(C)N(C)Cc1nccs1 2230a_100000765864_100000210206 [0,1,0,0,0,1|2,0,0]=4 947 B11R1.35 CC(C)N(C)Cc1nccs1 269982a_100000765864_100000210206 [0,1,0,0,0,1|2,0,0]=4 948 B11R1.35 CC(C)N(C)Cc1nccs1 269982a_200000211004_100015184050 [0,1,0,0,0,1|2,0,0]=4 949 B11R1.35 CC(C)N(C)Cc1nccs1 270004a_200000211004_100000750902 [0,1,0,0,0,1|2,0,0]=4 950 B11R1.35 CC(F)C(=O)Cc1c[nH]cn1 1458a_100000062450_100000707719 [0,1,0,0,0,1|2,0,0]=4 951 B11R1.35 CC(F)C(=O)Cc1ccon1 1458a_100000062450_100000234950 [0,1,0,0,0,1|2,0,0]=4 952 B11R1.35 CC(F)C(=O)Cc1cncs1 1458a_100000062450_100015185245 [0,1,0,0,0,1|2,0,0]=4 953 B11R1.35 CC(F)C(=O)Cc1cscn1 1458a_100000062450_100000205941 [0,1,0,0,0,1|2,0,0]=4 954 B11R1.35 CC(F)C(=O)Cc1ncco1 1458a_100000062450_103436540062 [0,1,0,0,0,1|0,1,0]=3 955 B11R1.35 CC(F)C(=O)Cc1nccs1 1458a_100000062450_100015184050 [0,1,0,0,0,1|0,0,0]=2 956 B11R1.35 CN(C)C(=O)Cc1cccs1 11a_100102631434_100000210189 [0,1,0,0,0,1|2,0,0]=4 957 B11R1.35 CN(C)C(=O)Cc1cccs1 1626a_100102631434_100000210189 [0,1,0,0,0,1|2,0,0]=4 958 B11R1.35 CN(C)C(=O)Cc1cccs1 240690a_100102631434_100000210189 [0,1,0,0,0,1|2,0,0]=4 959 B11R1.35 C[C@@H](O)C(=O)Cc1c[nH]cn1 1458a_100000717761_100000707719 [0,1,0,0,0,1|2,0,0]=4 960 B11R1.35 C[C@@H](O)C(=O)Cc1ccon1 1458a_100000717761_100000234950 [0,1,0,0,0,1|2,0,0]=4 961 B11R1.35 C[C@@H](O)C(=O)Cc1cncs1 1458a_100000717761_100015185245 [0,1,0,0,0,1|2,0,0]=4 962 B11R1.35 C[C@@H](O)C(=O)Cc1cscn1 1458a_100000717761_100000205941 [0,1,0,0,0,1|2,0,0]=4 963 B11R1.35 C[C@@H](O)C(=O)Cc1ncco1 1458a_100000717761_103436540062 [0,1,0,0,0,1|0,1,0]=3 964 B11R1.35 C[C@@H](O)C(=O)Cc1nccs1 1458a_100000717761_100015184050 [0,1,0,0,0,1|0,0,0]=2 965 B11R1.35 C[C@H](O)C(=O)Cc1c[nH]cn1 1458a_217856618621_100000707719 [0,1,0,0,0,1|2,0,0]=4 966 B11R1.35 C[C@H](O)C(=O)Cc1ccon1 1458a_217856618621_100000234950 [0,1,0,0,0,1|2,0,0]=4 967 B11R1.35 C[C@H](O)C(=O)Cc1cncs1 1458a_217856618621_100015185245 [0,1,0,0,0,1|2,0,0]=4 968 B11R1.35 C[C@H](O)C(=O)Cc1cscn1 1458a_217856618621_100000205941 [0,1,0,0,0,1|2,0,0]=4 969 B11R1.35 C[C@H](O)C(=O)Cc1ncco1 1458a_217856618621_103436540062 [0,1,0,0,0,1|0,1,0]=3 970 B11R1.35 C[C@H](O)C(=O)Cc1nccs1 1458a_217856618621_100015184050 [0,1,0,0,0,1|0,0,0]=2 971 B11R1.35 O=C(Cc1ncco1)C(O)O 1458a_100000233687_103436540062 [0,1,0,0,0,1|1,1,0]=4 972 B11R1.35 O=C(Cc1nccs1)C(O)O 1458a_100000233687_100015184050 [0,1,0,0,0,1|1,0,0]=3 973 B11R1.35 [13CH3]C(=O)C(=O)Nc1nncs1 1458a_200011297139_200025704644 [0,1,0,0,0,1|1,0,1]=4 974 B11R1.39 CCC(=O)Cc1cc(cs1)Br 1458a_100000210414_100000746031 [0,1,0,0,0,1|1,0,0]=3 975 B11R1.39 CCC(=O)Cc1cc(cs1)Br 1458a_100011542370_100000210202 [0,1,0,0,0,1|1,0,0]=3 976 B11R1.39 CCC(=O)Cc1cc(on1)C 1458a_100000210414_100000199038 [0,1,0,0,0,1|2,0,0]=4 977 B11R1.39 CCC(=O)Cc1ccc(s1)Br 1458a_100000210414_100000708592 [0,1,0,0,0,1|1,0,0]=3 978 B11R1.39 CCC(=O)Cc1ccc(s1)Br 1458a_100000238643_100000210202 [0,1,0,0,0,1|1,0,0]=3 979 B11R1.39 CCC(=O)Cc1ccc(s1)Cl 1458a_100000210414_100000185097 [0,1,0,0,0,1|1,0,0]=3 980 B11R1.39 CCC(=O)Cc1ccc(s1)Cl 1458a_100000238644_100000210202 [0,1,0,0,0,1|1,0,0]=3 981 B11R1.39 CCC(=O)Cc1ccn(n1)C 1458a_100000210414_100000726502 [0,1,0,0,0,1|2,0,0]=4 982 B11R1.39 CCC(=O)Cc1cn(cn1)C 1458a_100000210414_100000717665 [0,1,0,0,0,1|2,0,0]=4 983 B11R1.39 CCC(=O)Cc1cn(cn1)C 1458a_100011512828_100000210202 [0,1,0,0,0,1|2,0,0]=4 984 B11R1.39 CCC(=O)Cc1cnc(s1)Br 1458a_100000210414_100000717027 [0,1,0,0,0,1|2,0,0]=4 985 B11R1.39 CCC(=O)Cc1cnc(s1)C 1458a_100000210414_100020635045 [0,1,0,0,0,1|2,0,0]=4 986 B11R1.39 CCC(=O)Cc1cnc(s1)Cl 1458a_100000210414_100000058068 [0,1,0,0,0,1|2,0,0]=4 987 B11R1.39 CCC(=O)Cc1csc(n1)C 1458a_100000184407_100000210202 [0,1,0,0,0,1|2,0,0]=4 988 B11R1.39 CCC(=O)Cc1csc(n1)C 1458a_100000210414_100015186478 [0,1,0,0,0,1|2,0,0]=4 989 B11R1.39 CCC(=O)Cc1csc(n1)Cl 1458a_100000210414_100000024076 [0,1,0,0,0,1|2,0,0]=4 990 B11R1.39 CCC(=O)Cc1n[nH]c(=O)[nH]1 1458a_100000210414_100000754189 [0,1,0,0,0,1|2,0,0]=4 991 B11R1.39 CCC(=O)Cc1n[nH]c(n1)C 1458a_100011457670_100000210202 [0,1,0,0,0,1|2,0,0]=4 992 B11R1.39 CCC(=O)Cc1nc(no1)C 1458a_100000210414_100000735555 [0,1,0,0,0,1|1,1,0]=4 993 B11R1.39 CCC(=O)Cc1nc(no1)C 1458a_100011441805_100000210202 [0,1,0,0,0,1|1,1,0]=4 994 B11R1.39 CCC(=O)Cc1ncn(n1)C 1458a_100000210414_100016995526 [0,1,0,0,0,1|2,0,0]=4 995 B11R1.39 CCC(=O)Cc1nnc(o1)C 1458a_100000210414_100000181450 [0,1,0,0,0,1|1,1,0]=4 996 B11R1.39 CCC(=O)Cc1nnc(s1)C 1458a_100000210414_100000688753 [0,1,0,0,0,1|1,0,0]=3 997 B11R1.39 CCC(=O)Cc1noc(n1)C 1458a_100000105485_100000210202 [0,1,0,0,0,1|2,0,0]=4 998 B11R1.39 CCC(=O)Cc1noc(n1)C 1458a_100000210414_100000231061 [0,1,0,0,0,1|2,0,0]=4 999 B11R1.39 CCC(=O)Cc1noc(n1)C 270196a_100011245040_100000070787 [0,1,0,0,0,1|2,0,0]=4 1000 B11R1.39 CCC(=O)Cc1noc(n1)O 270196a_100011245040_100015183105 [0,1,0,0,0,1|2,0,0]=4 1001 B11R1.39 CCC(=O)Cc1nsc(n1)Cl 1458a_100000210414_100000043760 [0,1,0,0,0,1|2,0,0]=4 1002 B11R1.39 CCC(=O)Cn1cc(cn1)Br 1458a_100000238729_100000210202 [0,1,0,0,0,1|2,0,0]=4 1003 B11R1.39 CCC(=O)Cn1cc(cn1)C 1458a_100000743463_100000210202 [0,1,0,0,0,1|2,0,0]=4 1004 B11R1.39 CCC(=O)Cn1cc(cn1)Cl 1458a_100000759256_100000210202 [0,1,0,0,0,1|2,0,0]=4 1005 B11R1.39 CCC(=O)Cn1cc(cn1)I 1458a_100012072407_100000210202 [0,1,0,0,0,1|2,0,0]=4 1006 B11R1.39 CCC(=O)Cn1ccc(n1)C 1458a_100000238720_100000210202 [0,1,0,0,0,1|2,0,0]=4 1007 B11R1.39 CCC(C)Sc1nc(cs1)Br 62a_100000758301_200016082925 [0,1,0,0,0,1|1,0,1]=4 1008 B11R1.39 CCC(C)Sc1nc(cs1)Br 62a_200016082925_100000758301 [0,1,0,0,0,1|1,0,1]=4 1009 B11R1.39 CCC(C)Sc1nc(cs1)C 62a_100000758301_100011291629 [0,1,0,0,0,1|1,0,1]=4 1010 B11R1.39 CCC(C)Sc1nc(cs1)C 62a_100011291629_100000758301 [0,1,0,0,0,1|1,0,1]=4 1011 B11R1.39 CCC(C)Sc1nc(cs1)N 62a_100000758301_200015188442 [0,1,0,0,0,1|1,0,1]=4 1012 B11R1.39 CCC(C)Sc1nc(cs1)N 62a_200015188442_100000758301 [0,1,0,0,0,1|1,0,1]=4 1013 B11R1.39 CCC(C)Sc1ncc(s1)C 62a_100000690809_100000758301 [0,1,0,0,0,1|1,0,1]=4 1014 B11R1.39 CCC(C)Sc1ncc(s1)C 62a_100000758301_100000690809 [0,1,0,0,0,1|1,0,1]=4 1015 B11R1.39 CCN(C)Cc1nc(cs1)C 2230a_100000757614_100000210202 [0,1,0,0,0,1|2,0,0]=4 1016 B11R1.39 CCN(C)Cc1nc(cs1)C 269982a_100000757614_100000204670 [0,1,0,0,0,1|2,0,0]=4 1017 B11R1.39 CNC(=O)Cc1cc(cs1)Br 11a_106832991635_100011542370 [0,1,0,0,0,1|2,0,0]=4 1018 B11R1.39 CNC(=O)Cc1cc(cs1)Br 1626a_100102657272_100011542370 [0,1,0,0,0,1|2,0,0]=4 1019 B11R1.39 CNC(=O)Cc1cc(cs1)Br 240690a_100102657272_100011542370 [0,1,0,0,0,1|2,0,0]=4 1020 B11R1.39 CNC(=O)Cc1ccc(s1)Br 11a_106832991635_100000238643 [0,1,0,0,0,1|2,0,0]=4 1021 B11R1.39 CNC(=O)Cc1ccc(s1)Br 1626a_100102657272_100000238643 [0,1,0,0,0,1|2,0,0]=4 1022 B11R1.39 CNC(=O)Cc1ccc(s1)Cl 11a_106832991635_100000238644 [0,1,0,0,0,1|2,0,0]=4 1023 B11R1.39 CNC(=O)Cc1ccc(s1)Cl 1626a_100102657272_100000238644 [0,1,0,0,0,1|2,0,0]=4 1024 B11R1.39 CNC(=O)Cc1ccc(s1)Cl 240690a_100102657272_100000238644 [0,1,0,0,0,1|2,0,0]=4 1025 B11R1.39 CNC(=O)Cc1nc(cs1)C 1626a_100102657272_100000734950 [0,1,0,0,0,1|1,0,0]=3 1026 B11R1.39 CNC(=O)Cc1nc(cs1)C 240690a_100102657272_100000734950 [0,1,0,0,0,1|1,0,0]=3 1027 B11R1.39 COC(=O)Cc1ccc(s1)O 271570a_203496583355_100012028946 [0,1,0,0,0,1|2,0,0]=4 1028 B11R1.39 Cc1nnc(s1)CC(=O)CO 1458a_100000210174_100000688753 [0,1,0,0,0,1|2,0,0]=4 1029 B11R1.39 O=C(CF)Cc1cc(cs1)Br 1458a_100011542370_100015361967 [0,1,0,0,0,1|2,0,0]=4 1030 B11R1.39 O=C(CF)Cc1ccc(s1)Br 1458a_100000238643_100015361967 [0,1,0,0,0,1|2,0,0]=4 1031 B11R1.39 O=C(CF)Cc1ccc(s1)Cl 1458a_100000238644_100015361967 [0,1,0,0,0,1|2,0,0]=4 1032 B11R1.39 O=C(CO)Cc1cc(cs1)Br 1458a_100000210174_100000746031 [0,1,0,0,0,1|2,0,0]=4 1033 B11R1.39 O=C(CO)Cc1ccc(s1)Br 1458a_100000210174_100000708592 [0,1,0,0,0,1|2,0,0]=4 1034 B11R1.39 O=C(CO)Cc1ccc(s1)Cl 1458a_100000210174_100000185097 [0,1,0,0,0,1|2,0,0]=4 1035 B11R1.84 CCC(=Cc1nccs1)C#N 6a_100000750902_100011193412 [0,1,0,0,0,1|1,0,0]=3 1036 B11R1.84 CCC(CC)Sc1nccs1 62a_100000210505_100000211983 [0,1,0,0,0,1|1,0,1]=4 1037 B11R1.84 CCC(CC)Sc1nccs1 62a_100000211983_100000210505 [0,1,0,0,0,1|1,0,1]=4 1038 B11R1.84 CCN(CC)Cc1nccs1 2230a_100000724800_100015184050 [0,1,0,0,0,1|2,0,0]=4 1039 B11R1.84 CCN(CC)Cc1nccs1 269956a_100000042499_100015184050 [0,1,0,0,0,1|2,0,0]=4 1040 B11R1.84 CCN(CC)Cc1nccs1 269982a_100000724800_100015184050 [0,1,0,0,0,1|2,0,0]=4 1041 B11R1.84 CCN(CC)Cc1nccs1 270004a_100000724800_100000750902 [0,1,0,0,0,1|2,0,0]=4 1042 B11R1.84 N#CC(=Cc1nccs1)CBr 6a_100000750902_100011215226 [0,1,0,0,0,1|2,0,0]=4 1043 B11R1.84 N#CC(=Cc1nccs1)CCl 6a_100000750902_100000184422 [0,1,0,0,0,1|2,0,0]=4 1044 B11R1.136 CCC(C)(C)Sc1nccs1 62a_100000032637_100000211983 [0,1,0,0,0,1|1,0,1]=4 1045 B11R1.136 CCC(C)(C)Sc1nccs1 62a_100000211983_100000032637 [0,1,0,0,0,1|1,0,1]=4 1046 B11R1.228 CCC(=O)Cc1nc[nH]c1C 1458a_100000210414_100000751220 [0,1,0,0,0,1|2,0,0]=4 1047 B11R1.228 CCC(=O)Cc1ncoc1C 1458a_100000210414_200000693990 [0,1,0,0,0,1|2,0,0]=4 1048 B11R1.228 CCC(=O)Cn1nccc1C 1458a_100000759144_100000210202 [0,1,0,0,0,1|2,0,0]=4 1049 B11R1.228 CNC(=O)Cc1nccn1C 11a_106832991635_200015194843 [0,1,0,0,0,1|2,0,0]=4 1050 B11R1.228 CNC(=O)Cc1nccn1C 240690a_100102657272_200015194843 [0,1,0,0,0,1|2,0,0]=4 1051 B11R1.6 CCS(=O)(=O)c1ccc(s1)O 271570a_203496583355_100000022460 [0,2,0,0,0,0|2,0,0]=4 1052 B11R1.33 CCNS(=O)(=O)c1cccs1 270084a_100015525214_100000205146 [0,2,0,0,0,0|2,0,0]=4 1053 B11R1.33 CCNS(=O)(=O)c1cccs1 274078a_100015525214_100000205146 [0,2,0,0,0,0|2,0,0]=4 1054 B11R1.33 CCNS(=O)(=O)c1cccs1 40a_100015525214_200000102146 [0,2,0,0,0,0|2,0,0]=4 1055 B11R1.33 CCOC(C)(C)c1nccs1 7a_200009882240_100000210202 [0,2,0,0,0,0|1,0,1]=4 1056 B11R1.2 CCNC(CC)c1nccs1 2230a_103436540099_100000210202 [0,2,0,0,0,0|1,0,1]=4 1057 B11R1.2 CCNC(CC)c1nccs1 269862a_100015525214_100000031915 [0,2,0,0,0,0|1,0,1]=4 1058 B11R1.2 CCN[C@@H](CO)c1nccs1 2230a_202495363701_100000210202 [0,2,0,0,0,0|0,0,2]=4 1059 B11R1.15 CCNC(=O)C1=NNC(=O)C1 240690a_100015525214_200000752725 [0,2,0,0,0,0|2,0,0]=4 1060 B11R1.15 CCNC(=O)C1=NNC(=O)C1 527a_100015525214_200000752725 [0,2,0,0,0,0|2,0,0]=4 1061 B11R1.15 CCNC(=O)c1ccc(s1)O 271570a_203496583355_200000155171 [0,2,0,0,0,0|1,0,0]=3 1062 B11R1.15 CCNC(C)c1nc(cs1)C 2230a_100015185622_100000210202 [0,2,0,0,0,0|1,0,1]=4 1063 B11R1.15 CCNC(C)c1nc(cs1)C 269862a_100015525214_100011857357 [0,2,0,0,0,0|1,0,1]=4 1064 B11R1.15 CCNC(C)c1ncc(s1)C 269862a_100015525214_100011857370 [0,2,0,0,0,0|1,0,1]=4 1065 B11R1.15 CCOC(=O)c1c[nH]c(n1)O 271570a_203496583355_100010231773 [0,2,0,0,0,0|2,0,0]=4 1066 B11R1.15 CCOC(=O)c1cc([nH]n1)O 271570a_203496583355_100010743333 [0,2,0,0,0,0|2,0,0]=4 1067 B11R1.15 CCOC(=O)c1cc(cs1)O 271570a_203496583355_100009815474 [0,2,0,0,0,0|1,0,0]=3 1068 B11R1.15 CCOC(=O)c1ccc([nH]1)O 271570a_203496583355_200000687776 [0,2,0,0,0,0|1,0,1]=4 1069 B11R1.15 CCOC(=O)c1ccc(o1)O 271570a_203496583355_200000170220 [0,2,0,0,0,0|1,1,0]=4 1070 B11R1.15 CCOC(=O)c1ccc(s1)O 271570a_203496583355_100000172375 [0,2,0,0,0,0|1,0,0]=3 1071 B11R1.15 CCOC(=O)c1cnc(s1)O 271570a_203496583355_100009814955 [0,2,0,0,0,0|2,0,0]=4 1072 B11R1.15 CCOC(=O)c1coc(n1)O 271570a_203496583355_100011935043 [0,2,0,0,0,0|2,0,0]=4 1073 B11R1.15 CCOC(=O)c1csc(n1)O 271570a_203496583355_100009814092 [0,2,0,0,0,0|2,0,0]=4 1074 B11R1.15 CCOC(=O)c1n[nH]c(n1)O 271570a_203496583355_100010232984 [0,2,0,0,0,0|2,0,0]=4 1075 B11R1.15 CCOC(=O)c1nc(cs1)O 271570a_203496583355_200012359684 [0,2,0,0,0,0|0,0,0]=2 1076 B11R1.15 CCOC(=O)c1nc(no1)O 271570a_203496583355_100010175899 [0,2,0,0,0,0|1,1,0]=4 1077 B11R1.15 CCOC(=O)c1ncc([nH]1)O 271570a_203496583355_100010172669 [0,2,0,0,0,0|1,0,0]=3 1078 B11R1.15 CCOC(=O)c1ncc(s1)O 271570a_203496583355_100012362614 [0,2,0,0,0,0|0,0,0]=2 1079 B11R1.15 CCOC(=O)c1nnc(o1)O 271570a_203496583355_100010391765 [0,2,0,0,0,0|1,1,0]=4 1080 B11R1.15 CCOC(=O)c1nnc(s1)O 271570a_203496583355_100010045175 [0,2,0,0,0,0|1,0,0]=3 1081 B11R1.15 CNCC(=O)c1ccc(s1)Br 2230a_106832991635_100000185163 [0,2,0,0,0,0|1,0,0]=3 1082 B11R1.15 CNCC(=O)c1ccc(s1)Br 7a_106832991635_100000185163 [0,2,0,0,0,0|1,0,0]=3 1083 B11R1.15 CNCC(=O)c1ccc(s1)C 2230a_106832991635_100011262362 [0,2,0,0,0,0|1,0,0]=3 1084 B11R1.15 CNCC(=O)c1ccc(s1)C 34a_100102657272_100011262362 [0,2,0,0,0,0|1,0,0]=3 1085 B11R1.15 CNCC(=O)c1ccc(s1)C 7a_106832991635_100011262362 [0,2,0,0,0,0|1,0,0]=3 1086 B11R1.15 CNCC(=O)c1ccc(s1)Cl 2230a_106832991635_100000185135 [0,2,0,0,0,0|1,0,0]=3 1087 B11R1.15 CNCC(=O)c1ccc(s1)Cl 7a_106832991635_100000185135 [0,2,0,0,0,0|1,0,0]=3 1088 B11R1.15 CNCC(C)c1nc(cs1)C 2230a_100000701280_200000210301 [0,2,0,0,0,0|1,0,1]=4 1089 B11R1.15 COCC(=O)c1ccc(s1)C 34a_100138415774_100011262362 [0,2,0,0,0,0|1,0,0]=3 1090 B11R1.15 CSCC(=O)c1ccc(s1)Br 62a_100000185163_200000210301 [0,2,0,0,0,0|1,0,0]=3 1091 B11R1.15 CSCC(=O)c1ccc(s1)C 62a_100011262362_200000210301 [0,2,0,0,0,0|1,0,0]=3 1092 B11R1.15 CSCC(=O)c1ccc(s1)C 62a_200000210301_100011262362 [0,2,0,0,0,0|1,0,0]=3 1093 B11R1.15 CSCC(=O)c1ccc(s1)Cl 62a_100000185135_200000210301 [0,2,0,0,0,0|1,0,0]=3 1094 B11R1.15 CSCC(=O)c1ccc(s1)Cl 62a_200000210301_100000185135 [0,2,0,0,0,0|1,0,0]=3 1095 B11R1.15 Cc1ccc(s1)C(=O)CS[13CH3] 62a_100011262362_200025704644 [0,2,0,0,0,0|1,0,0]=3 1096 B11R1.15 Cc1ccc(s1)C(=O)CS[13CH3] 62a_200025704644_100011262362 [0,2,0,0,0,0|1,0,0]=3 1097 B11R1.15 Cc1csc(n1)C(C)CN[13CH3] 2230a_100000701280_200025704644 [0,2,0,0,0,0|1,0,1]=4 1098 B11R1.15 [13CH3]SCC(=O)c1ccc(s1)Br 62a_100000185163_200025704644 [0,2,0,0,0,0|1,0,0]=3 1099 B11R1.15 [13CH3]SCC(=O)c1ccc(s1)Cl 62a_100000185135_200025704644 [0,2,0,0,0,0|1,0,0]=3 1100 B11R1.15 [13CH3]SCC(=O)c1ccc(s1)Cl 62a_200025704644_100000185135 [0,2,0,0,0,0|1,0,0]=3 1101 B11R1.29 CC(NCCF)c1nccs1 2230a_100000725601_100011217306 [0,2,0,0,0,0|1,0,1]=4 1102 B11R1.29 CC(NCCO)c1nccs1 2230a_100000725601_100000211926 [0,2,0,0,0,0|1,0,1]=4 1103 B11R1.29 CC(OCCF)c1nccs1 7a_100000751044_100011217306 [0,2,0,0,0,0|1,0,1]=4 1104 B11R1.29 CC(OCCO)c1nccs1 7a_100000751044_100000211926 [0,2,0,0,0,0|1,0,1]=4 1105 B11R1.29 CC=NNC(=O)c1cccs1 4a_100000184746_200000210099 [0,2,0,0,0,0|1,0,1]=4 1106 B11R1.29 CC=NNC(=O)c1nccs1 4a_100000077877_200000210099 [0,2,0,0,0,0|0,0,1]=3 1107 B11R1.29 CCCNC(C)c1nccs1 2230a_100000725601_100000210303 [0,2,0,0,0,0|1,0,1]=4 1108 B11R1.29 CCCOC(C)c1nccs1 7a_100000751044_100000210303 [0,2,0,0,0,0|1,0,1]=4 1109 B11R1.29 CCNCC(=O)c1cccs1 2230a_100015525214_100000211436 [0,2,0,0,0,0|1,0,0]=3 1110 B11R1.29 CCNCC(=O)n1cccn1 2230a_100015525214_100000077511 [0,2,0,0,0,0|2,0,0]=4 1111 B11R1.29 CCNN=C(C)c1cccs1 4a_100000756455_100000185736 [0,2,0,0,0,0|2,0,0]=4 1112 B11R1.29 CCNN=C(C)c1ncc[nH]1 4a_100000756455_100000718901 [0,2,0,0,0,0|2,0,0]=4 1113 B11R1.29 CCNN=C(C)c1nccs1 4a_100000756455_100011217876 [0,2,0,0,0,0|1,0,0]=3 1114 B11R1.29 CCSCC(=O)c1ccc[nH]1 62a_100000210202_200011262396 [0,2,0,0,0,0|1,0,1]=4 1115 B11R1.29 CCSCC(=O)c1ccc[nH]1 62a_200011262396_100000210202 [0,2,0,0,0,0|1,0,1]=4 1116 B11R1.29 CCSCC(=O)c1ccco1 62a_100000210202_100000211439 [0,2,0,0,0,0|1,1,0]=4 1117 B11R1.29 CCSCC(=O)c1ccco1 62a_100000211439_100000210202 [0,2,0,0,0,0|1,1,0]=4 1118 B11R1.29 CCSCC(=O)c1cccs1 62a_100000210202_100000211436 [0,2,0,0,0,0|1,0,0]=3 1119 B11R1.29 CCSCC(=O)c1cccs1 62a_100000211436_100000210202 [0,2,0,0,0,0|1,0,0]=3 1120 B11R1.29 CCSCC(=O)c1nccs1 62a_100000210202_100000718653 [0,2,0,0,0,0|0,0,0]=2 1121 B11R1.29 CCSCC(=O)c1nccs1 62a_100000718653_100000210202 [0,2,0,0,0,0|0,0,0]=2 1122 B11R1.29 CCSCC(=O)n1cccn1 62a_100000077511_100000210202 [0,2,0,0,0,0|2,0,0]=4 1123 B11R1.29 CCSCC(=O)n1cccn1 62a_100000210202_100000077511 [0,2,0,0,0,0|2,0,0]=4 1124 B11R1.29 CNCCC(=O)c1cccs1 2230a_106832991635_100011290775 [0,2,0,0,0,0|1,0,0]=3 1125 B11R1.29 CNCCC(=O)c1cccs1 7a_106832991635_100011290775 [0,2,0,0,0,0|1,0,0]=3 1126 B11R1.29 COCNC(C)c1nccs1 2230a_100000725601_100000766300 [0,2,0,0,0,0|1,0,1]=4 1127 B11R1.29 CSCCC(=O)c1cccs1 62a_100011290775_200000210301 [0,2,0,0,0,0|1,0,0]=3 1128 B11R1.29 CSCCC(=O)c1cccs1 62a_200000210301_100011290775 [0,2,0,0,0,0|1,0,0]=3 1129 B11R1.29 CSCNC(C)c1nccs1 2230a_100000725601_100011218213 [0,2,0,0,0,0|1,0,1]=4 1130 B11R1.29 O=C(CSCF)c1ccc[nH]1 62a_100015361967_200011262396 [0,2,0,0,0,0|1,0,1]=4 1131 B11R1.29 O=C(CSCF)c1ccc[nH]1 62a_200011262396_100015361967 [0,2,0,0,0,0|1,0,1]=4 1132 B11R1.29 O=C(CSCF)c1ccco1 62a_100000211439_100015361967 [0,2,0,0,0,0|1,1,0]=4 1133 B11R1.29 O=C(CSCF)c1ccco1 62a_100015361967_100000211439 [0,2,0,0,0,0|1,1,0]=4 1134 B11R1.29 O=C(CSCF)c1cccs1 62a_100000211436_100015361967 [0,2,0,0,0,0|1,0,0]=3 1135 B11R1.29 O=C(CSCF)c1cccs1 62a_100015361967_100000211436 [0,2,0,0,0,0|1,0,0]=3 1136 B11R1.29 O=C(CSCF)c1nccs1 62a_100000718653_100015361967 [0,2,0,0,0,0|0,0,0]=2 1137 B11R1.29 O=C(CSCF)c1nccs1 62a_100015361967_100000718653 [0,2,0,0,0,0|0,0,0]=2 1138 B11R1.29 O=C(CSCF)n1cccn1 62a_100000077511_100015361967 [0,2,0,0,0,0|2,0,0]=4 1139 B11R1.29 O=C(CSCF)n1cccn1 62a_100015361967_100000077511 [0,2,0,0,0,0|2,0,0]=4 1140 B11R1.29 [13CH3]SCCC(=O)c1cccs1 62a_100011290775_200025704644 [0,2,0,0,0,0|1,0,0]=3 1141 B11R1.29 [13CH3]SCCC(=O)c1cccs1 62a_200025704644_100011290775 [0,2,0,0,0,0|1,0,0]=3 1142 B11R1.77 CC(=O)CC(=O)c1ccc[nH]1 1458a_100000070787_200011262396 [0,2,0,0,0,0|1,0,1]=4 1143 B11R1.77 CC(=O)CC(=O)c1ccco1 1458a_100000070787_100000211439 [0,2,0,0,0,0|1,1,0]=4 1144 B11R1.77 CC(=O)CC(=O)c1cccs1 1458a_100000070787_100000211436 [0,2,0,0,0,0|1,0,0]=3 1145 B11R1.77 CC(=O)CC(=O)c1nccs1 1458a_100000070787_100000718653 [0,2,0,0,0,0|0,0,0]=2 1146 B11R1.77 CC(=O)CC(=O)n1cccn1 1458a_100000070787_100000077511 [0,2,0,0,0,0|2,0,0]=4 1147 B11R1.77 CC(C)C[C@H](N)c1nccs1 271570a_100015190218_100000211983 [0,2,0,0,0,0|1,0,1]=4 1148 B11R1.77 CC(C)NC(C)c1nccs1 2230a_100000725601_100000210206 [0,2,0,0,0,0|1,0,1]=4 1149 B11R1.77 CC(C)OC(C)c1nccs1 7a_100000751044_100000210206 [0,2,0,0,0,0|1,0,1]=4 1150 B11R1.77 CN(C)CC(=O)c1ccc[nH]1 269982a_100102631434_200011262396 [0,2,0,0,0,0|1,0,1]=4 1151 B11R1.77 CN(C)CC(=O)c1ccco1 269982a_100102631434_100000211439 [0,2,0,0,0,0|1,1,0]=4 1152 B11R1.77 CN(C)CC(=O)c1cccs1 2230a_100102631434_100000211436 [0,2,0,0,0,0|1,0,0]=3 1153 B11R1.77 CN(C)CC(=O)c1cccs1 269982a_100102631434_100000211436 [0,2,0,0,0,0|1,0,0]=3 1154 B11R1.77 CN(C)CC(=O)c1nccs1 269982a_100102631434_100000718653 [0,2,0,0,0,0|0,0,0]=2 1155 B11R1.77 CN(C)CC(=O)n1cccn1 2230a_100102631434_100000077511 [0,2,0,0,0,0|2,0,0]=4 1156 B11R1.77 CN(C)CC(=O)n1cccn1 269982a_100102631434_100000077511 [0,2,0,0,0,0|2,0,0]=4 1157 B11R1.199 CCOC(=O)c1ncsc1O 271570a_203496583355_100010232029 [0,2,0,0,0,0|2,0,0]=4 1158 B11R1.199 CCOC(=O)c1scnc1O 271570a_203496583355_100012038550 [0,2,0,0,0,0|2,0,0]=4 1159 B11R1.199 CNCC(=O)c1cccn1C 2230a_106832991635_200011262399 [0,2,0,0,0,0|1,0,1]=4 1160 B11R1.199 CNCC(=O)c1cccn1C 34a_100102657272_200011262399 [0,2,0,0,0,0|1,0,1]=4 1161 B11R1.199 CNCC(=O)c1cccn1C 7a_106832991635_200011262399 [0,2,0,0,0,0|1,0,1]=4 1162 B11R1.199 CNCC(=O)c1nccn1C 34a_100102657272_100010243886 [0,2,0,0,0,0|1,0,0]=3 1163 B11R1.199 CNCC(=O)c1nccn1C 7a_106832991635_100010243886 [0,2,0,0,0,0|1,0,0]=3 1164 B11R1.199 CNCC(=O)c1sccc1Br 2230a_106832991635_100000740827 [0,2,0,0,0,0|1,0,0]=3 1165 B11R1.199 CNCC(=O)c1sccc1Br 34a_100102657272_100000740827 [0,2,0,0,0,0|1,0,0]=3 1166 B11R1.199 CNCC(=O)c1sccc1Br 7a_106832991635_100000740827 [0,2,0,0,0,0|1,0,0]=3 1167 B11R1.199 COCC(=O)c1cccn1C 34a_100138415774_200011262399 [0,2,0,0,0,0|1,0,1]=4 1168 B11R1.199 COCC(=O)c1nccn1C 34a_100138415774_100010243886 [0,2,0,0,0,0|1,0,0]=3 1169 B11R1.199 COCC(=O)c1sccc1Br 34a_100138415774_100000740827 [0,2,0,0,0,0|1,0,0]=3 1170 B11R1.199 CSCC(=O)c1cccn1C 62a_200000210301_200011262399 [0,2,0,0,0,0|1,0,1]=4 1171 B11R1.199 CSCC(=O)c1cccn1C 62a_200011262399_200000210301 [0,2,0,0,0,0|1,0,1]=4 1172 B11R1.199 CSCC(=O)c1nccn1C 62a_100010243886_200000210301 [0,2,0,0,0,0|1,0,0]=3 1173 B11R1.199 CSCC(=O)c1nccn1C 62a_200000210301_100010243886 [0,2,0,0,0,0|1,0,0]=3 1174 B11R1.199 CSCC(=O)c1sccc1Br 62a_100000740827_200000210301 [0,2,0,0,0,0|1,0,0]=3 1175 B11R1.199 Cn1cccc1C(=O)CS[13CH3] 62a_200011262399_200025704644 [0,2,0,0,0,0|1,0,1]=4 1176 B11R1.199 Cn1cccc1C(=O)CS[13CH3] 62a_200025704644_200011262399 [0,2,0,0,0,0|1,0,1]=4 1177 B11R1.199 Cn1ccnc1C(=O)CS[13CH3] 62a_100010243886_200025704644 [0,2,0,0,0,0|1,0,0]=3 1178 B11R1.199 Cn1ccnc1C(=O)CS[13CH3] 62a_200025704644_100010243886 [0,2,0,0,0,0|1,0,0]=3 1179 B11R1.199 [13CH3]SCC(=O)c1sccc1Br 62a_100000740827_200025704644 [0,2,0,0,0,0|1,0,0]=3 1180 B11R1.44 C=Cc1ccc(s1)C(=O)CC 271570a_100011290941_200011203577 [0,2,0,0,0,0|1,0,0]=3 1181 B11R1.44 C=Cc1ccc(s1)C(=O)NC 271570a_100011290941_200000155069 [0,2,0,0,0,0|2,0,0]=4 1182 B11R1.44 C=Cc1ccc(s1)C(=O)OC 271570a_100011290941_100000148107 [0,2,0,0,0,0|2,0,0]=4 1183 B11R1.44 C=Cc1cnc(s1)C(=O)OC 271570a_100011290941_100010191244 [0,2,0,0,0,0|1,0,0]=3 1184 B11R1.44 C=Cc1csc(c1)C(=O)OC 271570a_100011290941_100009815473 [0,2,0,0,0,0|2,0,0]=4 1185 B11R1.44 C=Cc1csc(n1)C(=O)OC 271570a_100011290941_100012360158 [0,2,0,0,0,0|1,0,0]=3 1186 B11R1.44 CCC(=O)c1ccc(s1)SC 62a_200000210301_200011203577 [0,2,0,0,0,0|1,0,0]=3 1187 B11R1.44 CCC(=O)c1ccc(s1)SC 62a_200011203577_200000210301 [0,2,0,0,0,0|1,0,0]=3 1188 B11R1.44 CCC(=O)c1ccc(s1)S[13CH3] 62a_200011203577_200025704644 [0,2,0,0,0,0|1,0,0]=3 1189 B11R1.44 CCC(=O)c1ccc(s1)S[13CH3] 62a_200025704644_200011203577 [0,2,0,0,0,0|1,0,0]=3 1190 B11R1.44 CNC(=O)c1ccc(s1)SC 62a_200000155069_200000210301 [0,2,0,0,0,0|2,0,0]=4 1191 B11R1.44 CNC(=O)c1ccc(s1)SC 62a_200000210301_200000155069 [0,2,0,0,0,0|2,0,0]=4 1192 B11R1.44 CNC(=O)c1ccc(s1)S[13CH3] 62a_200000155069_200025704644 [0,2,0,0,0,0|2,0,0]=4 1193 B11R1.44 CNC(=O)c1ccc(s1)S[13CH3] 62a_200025704644_200000155069 [0,2,0,0,0,0|2,0,0]=4 1194 B11R1.44 COC(=O)c1cc(cs1)SC 62a_100009815473_200000210301 [0,2,0,0,0,0|2,0,0]=4 1195 B11R1.44 COC(=O)c1cc(cs1)SC 62a_200000210301_100009815473 [0,2,0,0,0,0|2,0,0]=4 1196 B11R1.44 COC(=O)c1cc(cs1)S[13CH3] 62a_100009815473_200025704644 [0,2,0,0,0,0|2,0,0]=4 1197 B11R1.44 COC(=O)c1cc(cs1)S[13CH3] 62a_200025704644_100009815473 [0,2,0,0,0,0|2,0,0]=4 1198 B11R1.44 COC(=O)c1ccc(s1)SC 62a_100000148107_200000210301 [0,2,0,0,0,0|2,0,0]=4 1199 B11R1.44 COC(=O)c1ccc(s1)SC 62a_200000210301_100000148107 [0,2,0,0,0,0|2,0,0]=4 1200 B11R1.44 COC(=O)c1ccc(s1)S[13CH3] 62a_100000148107_200025704644 [0,2,0,0,0,0|2,0,0]=4 1201 B11R1.44 COC(=O)c1ccc(s1)S[13CH3] 62a_200025704644_100000148107 [0,2,0,0,0,0|2,0,0]=4 1202 B11R1.44 COC(=O)c1nc(cs1)SC 62a_100012360158_200000210301 [0,2,0,0,0,0|1,0,0]=3 1203 B11R1.44 COC(=O)c1nc(cs1)SC 62a_200000210301_100012360158 [0,2,0,0,0,0|1,0,0]=3 1204 B11R1.44 COC(=O)c1nc(cs1)S[13CH3] 62a_100012360158_200025704644 [0,2,0,0,0,0|1,0,0]=3 1205 B11R1.44 COC(=O)c1nc(cs1)S[13CH3] 62a_200025704644_100012360158 [0,2,0,0,0,0|1,0,0]=3 1206 B11R1.44 COC(=O)c1ncc(s1)SC 62a_100010191244_200000210301 [0,2,0,0,0,0|1,0,0]=3 1207 B11R1.44 COC(=O)c1ncc(s1)SC 62a_200000210301_100010191244 [0,2,0,0,0,0|1,0,0]=3 1208 B11R1.44 COC(=O)c1ncc(s1)S[13CH3] 62a_100010191244_200025704644 [0,2,0,0,0,0|1,0,0]=3 1209 B11R1.44 COC(=O)c1ncc(s1)S[13CH3] 62a_200025704644_100010191244 [0,2,0,0,0,0|1,0,0]=3 1210 B11R1.225 COC(=O)c1nc(cn1C)O 271570a_203496583355_100010173829 [0,2,0,0,0,0|2,0,0]=4 1211 B11R1.225 COC(=O)c1sc(cc1F)O 271570a_203496583355_100010734428 [0,2,0,0,0,0|2,0,0]=4 1212 B11R1.225 COC(=O)c1sc(cc1N)O 271570a_203496583355_100010255210 [0,2,0,0,0,0|2,0,0]=4 1213 B11R1.225 COC(=O)c1sc(cc1O)C 271570a_203496583355_100009817204 [0,2,0,0,0,0|2,0,0]=4 1214 B11R1.226 COC(=O)c1cc(c(s1)O)C 271570a_203496583355_100011219469 [0,2,0,0,0,0|2,0,0]=4 1215 B11R1.226 COC(=O)c1cc(c(s1)O)N 271570a_203496583355_200010749435 [0,2,0,0,0,0|2,0,0]=4 1216 B11R1.314 CC(=C(C)c1nc(cs1)Br)C 271570a_200000049429_200016082925 [0,2,0,0,0,0|1,0,1]=4 1217 B11R1.314 CC(=C(C)c1nc(cs1)C)C 271570a_200000049429_100011291629 [0,2,0,0,0,0|1,0,1]=4 1218 B11R1.314 CC(=C(C)c1nc(cs1)N)C 271570a_200000049429_200015188442 [0,2,0,0,0,0|1,0,1]=4 1219 B11R1.314 CC(=C(C)c1ncc(s1)C)C 271570a_200000049429_100000690809 [0,2,0,0,0,0|1,0,1]=4 1220 B11R1.314 CN(C)C(=O)c1ccc(s1)O 271570a_203496583355_200000159620 [0,2,0,0,0,0|2,0,0]=4 1221 B11R1.865 COC(=O)c1scc(c1C)O 271570a_203496583355_100010184805 [0,2,0,0,0,0|2,0,0]=4 1222 B11R1.865 COC(=O)c1scc(c1N)O 271570a_203496583355_100010201200 [0,2,0,0,0,0|2,0,0]=4 1223 B11R1.865 COC(=O)c1scc(c1O)C 271570a_203496583355_100000716566 [0,2,0,0,0,0|2,0,0]=4 1224 B11R1.865 COC(=O)c1scc(c1O)O 271570a_203496583355_100009812821 [0,2,0,0,0,0|2,0,0]=4 1225 B11R1.59 C=Cc1ccsc1C(=O)OC 271570a_100011290941_100000730364 [0,2,0,0,0,0|2,0,0]=4 1226 B11R1.59 COC(=O)c1sccc1OC 7a_100000043449_200000210301 [0,2,0,0,0,0|2,0,0]=4 1227 B11R1.59 COC(=O)c1sccc1O[13CH3] 7a_100000043449_200025704644 [0,2,0,0,0,0|2,0,0]=4 1228 B11R1.59 COC(=O)c1sccc1SC 62a_200000210301_100000730364 [0,2,0,0,0,0|2,0,0]=4 1229 B11R1.59 COC(=O)c1sccc1S[13CH3] 62a_200025704644_100000730364 [0,2,0,0,0,0|2,0,0]=4 1230 B9R1.15 CCc1nccnc1O 271570a_203496583355_100011995844 [0,0,1,1,0,0|1,1,0]=4 1231 B9R1.2 CCc1cncc(c1)O 271570a_203496583355_200009819073 [0,0,1,1,0,0|1,1,0]=4 1232 B9R1.14 C=Cc1sccc1CC 271570a_100011290941_200009875468 [0,0,1,1,0,0|2,0,0]=4 1233 B9R2.2 c1csc(n1)C2CC2 271570a_100011220607_100000211983 [1,0,0,1,0,0|1,0,1]=4 1234 B11R2.237 c1csc(n1)CN2CCC2 269982a_100000754969_100015184050 [0,0,0,1,0,1|2,0,0]=4 1235 B11R2.237 c1csc(n1)SC2CCC2 62a_100000211983_100000749161 [0,0,0,1,0,1|1,0,1]=4 1236 B11R2.2 C1=C(CCC1)c2cccs2 271570a_100000089523_100011215356 [0,1,0,1,0,0|2,0,0]=4 1237 B11R2.2 C1=C(CCC1)c2ncc[nH]2 271570a_100000089523_100025796157 [0,1,0,1,0,0|2,0,0]=4 1238 B11R2.2 C1=C(CCC1)c2ncco2 271570a_100000089523_100011787736 [0,1,0,1,0,0|1,1,0]=4 1239 B11R2.2 C1=C(CCC1)c2nccs2 271570a_100000089523_100000211983 [0,1,0,1,0,0|1,0,0]=3 1240 B11R2.2 C1=C(CCC1)c2ncns2 271570a_100000089523_100000693119 [0,1,0,1,0,0|2,0,0]=4 1241 B11R2.2 C1=C(CCC1)c2nncs2 271570a_100000089523_100000739804 [0,1,0,1,0,0|2,0,0]=4 1242 B11R2.2 C1=C(CCO1)c2cccs2 271570a_100000118173_100011215356 [0,1,0,1,0,0|1,0,1]=4 1243 B11R2.2 C1=C(CCO1)c2ncc[nH]2 271570a_100000118173_100025796157 [0,1,0,1,0,0|1,0,1]=4 1244 B11R2.2 C1=C(CCO1)c2ncco2 271570a_100000118173_100011787736 [0,1,0,1,0,0|0,1,1]=4 1245 B11R2.2 C1=C(CCO1)c2nccs2 271570a_100000118173_100000211983 [0,1,0,1,0,0|0,0,1]=3 1246 B11R2.2 C1=C(CCO1)c2ncns2 271570a_100000118173_100000693119 [0,1,0,1,0,0|1,0,1]=4 1247 B11R2.2 C1=C(CCO1)c2nncs2 271570a_100000118173_100000739804 [0,1,0,1,0,0|1,0,1]=4 1248 B11R2.2 C1=C(COC1)c2cccs2 271570a_100009872500_100011215356 [0,1,0,1,0,0|2,0,0]=4 1249 B11R2.2 C1=C(COC1)c2ncc[nH]2 271570a_100009872500_100025796157 [0,1,0,1,0,0|2,0,0]=4 1250 B11R2.2 C1=C(COC1)c2ncco2 271570a_100009872500_100011787736 [0,1,0,1,0,0|1,1,0]=4 1251 B11R2.2 C1=C(COC1)c2nccs2 271570a_100009872500_100000211983 [0,1,0,1,0,0|1,0,0]=3 1252 B11R2.2 C1=C(COC1)c2ncns2 271570a_100009872500_100000693119 [0,1,0,1,0,0|2,0,0]=4 1253 B11R2.2 C1=C(COC1)c2nncs2 271570a_100009872500_100000739804 [0,1,0,1,0,0|2,0,0]=4 1254 B11R2.1031 C=C(c1cccs1)C2CC2 271570a_100010895485_100011215356 [0,1,0,1,0,0|2,0,0]=4 1255 B11R2.1031 C=C(c1ncc[nH]1)C2CC2 271570a_100010895485_100025796157 [0,1,0,1,0,0|2,0,0]=4 1256 B11R2.1031 C=C(c1ncco1)C2CC2 271570a_100010895485_100011787736 [0,1,0,1,0,0|1,1,0]=4 1257 B11R2.1031 C=C(c1nccs1)C2CC2 271570a_100010895485_100000211983 [0,1,0,1,0,0|1,0,0]=3 1258 B11R2.1031 C=C(c1ncns1)C2CC2 271570a_100010895485_100000693119 [0,1,0,1,0,0|2,0,0]=4 1259 B11R2.1031 C=C(c1nncs1)C2CC2 271570a_100010895485_100000739804 [0,1,0,1,0,0|2,0,0]=4 1260 B11R2.66 O=C1OCc2c1sc(c2)O 271570a_203496583355_100010986393 [0,1,0,1,0,0|2,0,0]=4 1261 B9R1.6 C=C(C)c1ccccn1 271570a_100000694244_100011216584 [1,0,0,0,0,1|2,0,0]=4 1262 B9R1.6 C=C(C)c1cccnc1 271570a_100000694244_100000752921 [1,0,0,0,0,1|2,0,0]=4 1263 B9R1.6 C=C(C)c1cccnn1 271570a_100000694244_100016991348 [1,0,0,0,0,1|2,0,0]=4 1264 B9R1.6 C=C(C)c1ccncn1 271570a_100000694244_100000703185 [1,0,0,0,0,1|2,0,0]=4 1265 B9R1.6 C=C(C)c1cnccn1 271570a_100000694244_100000758340 [1,0,0,0,0,1|2,0,0]=4 1266 B9R1.6 C=C(C)c1ncccn1 271570a_100000694244_100000211032 [1,0,0,0,0,1|2,0,0]=4 1267 B9R1.6 CC(=O)c1ccccc1 1458a_100000185807_200000210301 [1,0,0,0,0,1|2,0,0]=4 1268 B9R1.6 [13CH3]C(=O)c1ccccc1 1458a_100000185807_200025704644 [1,0,0,0,0,1|2,0,0]=4 1269 B9R1.8 CC=Cc1ccccn1 271570a_100016259895_100011216584 [1,0,0,0,0,1|1,0,1]=4 1270 B9R1.8 CC=Cc1cccnc1 271570a_100016259895_100000752921 [1,0,0,0,0,1|1,0,1]=4 1271 B9R1.8 CC=Cc1cccnn1 271570a_100016259895_100016991348 [1,0,0,0,0,1|1,0,1]=4 1272 B9R1.8 CC=Cc1ccncn1 271570a_100016259895_100000703185 [1,0,0,0,0,1|1,0,1]=4 1273 B9R1.8 CC=Cc1cnccn1 271570a_100016259895_100000758340 [1,0,0,0,0,1|1,0,1]=4 1274 B9R1.8 CC=Cc1ncccn1 271570a_100016259895_100000211032 [1,0,0,0,0,1|1,0,1]=4 1275 B9R1.8 CCNc1cccnn1 27a_100015525214_100016991348 [1,0,0,0,0,1|2,0,0]=4 1276 B9R1.8 CCNc1ccncn1 27a_100015525214_100000703185 [1,0,0,0,0,1|2,0,0]=4 1277 B9R1.8 CCNc1cnccn1 27a_100015525214_100000211759 [1,0,0,0,0,1|2,0,0]=4 1278 B9R1.8 CCNc1ncccn1 27a_100015525214_100000211032 [1,0,0,0,0,1|2,0,0]=4 1279 B9R1.8 CCOc1cccnc1 34a_100000210849_100000210202 [1,0,0,0,0,1|2,0,0]=4 1280 B9R1.8 CCOc1cccnc1 7a_100000210849_100000210202 [1,0,0,0,0,1|2,0,0]=4 1281 B9R1.8 CCSc1ccccn1 62a_100000210202_100011216584 [1,0,0,0,0,1|2,0,0]=4 1282 B9R1.8 CCSc1ccccn1 62a_100011216584_100000210202 [1,0,0,0,0,1|2,0,0]=4 1283 B9R1.8 CCSc1cccnc1 62a_100000210063_100000210202 [1,0,0,0,0,1|2,0,0]=4 1284 B9R1.8 CCSc1cccnc1 62a_100000210202_100000210063 [1,0,0,0,0,1|2,0,0]=4 1285 B9R1.8 CCSc1cccnn1 62a_100000210202_100016991348 [1,0,0,0,0,1|2,0,0]=4 1286 B9R1.8 CCSc1cccnn1 62a_100016991348_100000210202 [1,0,0,0,0,1|2,0,0]=4 1287 B9R1.8 CCSc1ccncn1 62a_100000210202_100000703185 [1,0,0,0,0,1|2,0,0]=4 1288 B9R1.8 CCSc1ccncn1 62a_100000703185_100000210202 [1,0,0,0,0,1|2,0,0]=4 1289 B9R1.8 CCSc1cnccn1 62a_100000210202_100000211759 [1,0,0,0,0,1|2,0,0]=4 1290 B9R1.8 CCSc1cnccn1 62a_100000211759_100000210202 [1,0,0,0,0,1|2,0,0]=4 1291 B9R1.8 CCSc1ncccn1 62a_100000210202_100000211032 [1,0,0,0,0,1|2,0,0]=4 1292 B9R1.8 CCSc1ncccn1 62a_100000211032_100000210202 [1,0,0,0,0,1|2,0,0]=4 1293 B11R1.40 CCC(=O)Cc1ccccc1 1458a_100000210414_100015291786 [0,0,0,0,0,2|2,0,0]=4 1294 B11R1.40 CCC(=O)Cc1ccccn1 1458a_100000210414_100000721315 [0,0,0,0,0,2|1,0,0]=3 1295 B11R1.40 CCC(=O)Cc1ccccn1 1458a_100000233486_100000210202 [0,0,0,0,0,2|1,0,0]=3 1296 B11R1.40 CCC(=O)Cc1cccnc1 1458a_100000210414_100000733263 [0,0,0,0,0,2|1,0,0]=3 1297 B11R1.40 CCC(=O)Cc1cccnc1 1458a_100000737805_100000210202 [0,0,0,0,0,2|1,0,0]=3 1298 B11R1.40 CCC(=O)Cc1cccnn1 1458a_100000210414_100016990269 [0,0,0,0,0,2|1,0,0]=3 1299 B11R1.40 CCC(=O)Cc1ccncc1 1458a_100000210414_100000705612 [0,0,0,0,0,2|2,0,0]=4 1300 B11R1.40 CCC(=O)Cc1cnccn1 1458a_100000210414_100016995436 [0,0,0,0,0,2|1,0,0]=3 1301 B11R1.40 CCC(=O)Cc1cncnc1 1458a_100000210414_100015196519 [0,0,0,0,0,2|2,0,0]=4 1302 B11R1.40 CCC(=O)Cc1cncnc1 1458a_100000721575_100000210202 [0,0,0,0,0,2|2,0,0]=4 1303 B11R1.40 CCC(=O)Cc1ncccn1 1458a_100000210414_100000703007 [0,0,0,0,0,2|1,0,0]=3 1304 B11R1.40 CCC(=O)Nc1ccccc1 11a_100000106764_100000210414 [0,0,0,0,0,2|2,0,0]=4 1305 B11R1.40 CCC(=O)Nc1ccccc1 1626a_100000106764_100000210414 [0,0,0,0,0,2|2,0,0]=4 1306 B11R1.40 CCC(=O)Nc1ccccc1 22a_100000106764_100000210414 [0,0,0,0,0,2|2,0,0]=4 1307 B11R1.40 CCC(=O)Nc1ccccc1 527a_100000106764_100000210414 [0,0,0,0,0,2|2,0,0]=4 1308 B11R1.40 CNC(=O)Cc1ccccn1 11a_106832991635_100000233486 [0,0,0,0,0,2|2,0,0]=4 1309 B11R1.40 CNC(=O)Cc1cccnc1 11a_106832991635_100000737805 [0,0,0,0,0,2|2,0,0]=4 1310 B11R1.40 CNC(=O)Cc1cccnc1 240690a_100102657272_100000737805 [0,0,0,0,0,2|2,0,0]=4 1311 B11R1.40 CNC(=O)Cc1cccnc1 527a_100102657272_100000737805 [0,0,0,0,0,2|2,0,0]=4 1312 B11R1.40 CNC(=O)Cc1cnccn1 11a_106832991635_100000726051 [0,0,0,0,0,2|2,0,0]=4 1313 B11R1.40 CNC(=O)Cc1cnccn1 240690a_100102657272_100000726051 [0,0,0,0,0,2|2,0,0]=4 1314 B11R1.40 CNC(=O)Cc1cnccn1 527a_100102657272_100000726051 [0,0,0,0,0,2|2,0,0]=4 1315 B11R1.40 O=C(CF)Cc1ccccn1 1458a_100000233486_100015361967 [0,0,0,0,0,2|2,0,0]=4 1316 B11R1.40 O=C(CF)Cc1cccnc1 1458a_100000737805_100015361967 [0,0,0,0,0,2|2,0,0]=4 1317 B11R1.40 O=C(CO)Cc1ccccn1 1458a_100000210174_100000721315 [0,0,0,0,0,2|2,0,0]=4 1318 B11R1.40 O=C(CO)Cc1cccnc1 1458a_100000210174_100000733263 [0,0,0,0,0,2|2,0,0]=4 1319 B11R1.40 O=C(CO)Cc1cccnn1 1458a_100000210174_100016990269 [0,0,0,0,0,2|2,0,0]=4 1320 B11R1.40 O=C(CO)Cc1cnccn1 1458a_100000210174_100016995436 [0,0,0,0,0,2|2,0,0]=4 1321 B11R1.40 O=C(CO)Cc1ncccn1 1458a_100000210174_100000703007 [0,0,0,0,0,2|2,0,0]=4 1322 B11R1.25 C=CC(=O)NCc1nccs1 1626a_100000740555_100000185746 [0,0,0,0,0,2|0,0,2]=4 1323 B11R1.25 C=CC(=O)NCc1nccs1 240690a_100000740555_200121576911 [0,0,0,0,0,2|0,0,2]=4 1324 B11R1.25 C=CC(=O)NNc1nccs1 22a_100011198208_100000185746 [0,0,0,0,0,2|0,0,2]=4 1325 B11R1.25 CC(=NNc1nccs1)CF 4a_100011198208_100000039719 [0,0,0,0,0,2|2,0,0]=4 1326 B11R1.25 CC(=NNc1nccs1)CO 4a_100011198208_100000211253 [0,0,0,0,0,2|2,0,0]=4 1327 B11R1.25 CCC(=O)C=Cc1c[nH]cn1 1458a_100102678534_100000210202 [0,0,0,0,0,2|2,0,0]=4 1328 B11R1.25 CCC(=O)C=Cc1cccs1 1458a_100000182767_100000210202 [0,0,0,0,0,2|1,0,0]=3 1329 B11R1.25 CCC(=O)C=Cc1cscn1 1458a_200000747928_100000210202 [0,0,0,0,0,2|2,0,0]=4 1330 B11R1.25 CCC(=O)C=Cc1nccs1 1458a_100102558208_100000210202 [0,0,0,0,0,2|0,0,0]=2 1331 B11R1.25 CCC(=O)C=Cc1nccs1 6a_100000750902_100000211110 [0,0,0,0,0,2|0,0,0]=2 1332 B11R1.25 CCC(=O)CCc1c[nH]cn1 1458a_100000210414_100020628418 [0,0,0,0,0,2|2,0,0]=4 1333 B11R1.25 CCC(=O)CCc1ccc[nH]1 1458a_200011998680_100000210202 [0,0,0,0,0,2|1,0,1]=4 1334 B11R1.25 CCC(=O)CCc1ccco1 1458a_100000185103_100000210202 [0,0,0,0,0,2|1,1,0]=4 1335 B11R1.25 CCC(=O)CCc1cccs1 1458a_100000185280_100000210202 [0,0,0,0,0,2|1,0,0]=3 1336 B11R1.25 CCC(=O)CCc1cccs1 1458a_100000210414_100000748579 [0,0,0,0,0,2|1,0,0]=3 1337 B11R1.25 CCC(=O)CCc1cncs1 1458a_100012184922_100000210202 [0,0,0,0,0,2|2,0,0]=4 1338 B11R1.25 CCC(=O)CCc1ncc[nH]1 1458a_100000722789_100000210202 [0,0,0,0,0,2|1,0,0]=3 1339 B11R1.25 CCC(=O)CCc1nccs1 1458a_100000742873_100000210202 [0,0,0,0,0,2|0,0,0]=2 1340 B11R1.25 CCC(=O)CCn1cccn1 1458a_100000210414_100000685285 [0,0,0,0,0,2|2,0,0]=4 1341 B11R1.25 CCC(=O)CCn1cccn1 1458a_100000242649_100000210202 [0,0,0,0,0,2|2,0,0]=4 1342 B11R1.25 CCC(=O)CSc1c[nH]cn1 62a_100000747405_100000756875 [0,0,0,0,0,2|2,0,0]=4 1343 B11R1.25 CCC(=O)CSc1c[nH]cn1 62a_100000756875_100000747405 [0,0,0,0,0,2|2,0,0]=4 1344 B11R1.25 CCC(=O)CSc1cc[nH]n1 62a_100000062575_100000747405 [0,0,0,0,0,2|2,0,0]=4 1345 B11R1.25 CCC(=O)CSc1cc[nH]n1 62a_100000747405_100000062575 [0,0,0,0,0,2|2,0,0]=4 1346 B11R1.25 CCC(=O)CSc1ccco1 62a_100000747405_100009814098 [0,0,0,0,0,2|1,1,0]=4 1347 B11R1.25 CCC(=O)CSc1ccco1 62a_100009814098_100000747405 [0,0,0,0,0,2|1,1,0]=4 1348 B11R1.25 CCC(=O)CSc1cccs1 62a_100000747405_100011215356 [0,0,0,0,0,2|1,0,0]=3 1349 B11R1.25 CCC(=O)CSc1cccs1 62a_100011215356_100000747405 [0,0,0,0,0,2|1,0,0]=3 1350 B11R1.25 CCC(=O)CSc1ccon1 62a_100000747405_100009818083 [0,0,0,0,0,2|2,0,0]=4 1351 B11R1.25 CCC(=O)CSc1ccon1 62a_100009818083_100000747405 [0,0,0,0,0,2|2,0,0]=4 1352 B11R1.25 CCC(=O)CSc1ccsn1 62a_100000747405_100009818082 [0,0,0,0,0,2|2,0,0]=4 1353 B11R1.25 CCC(=O)CSc1ccsn1 62a_100009818082_100000747405 [0,0,0,0,0,2|2,0,0]=4 1354 B11R1.25 CCC(=O)CSc1cncs1 62a_100000747405_100011934649 [0,0,0,0,0,2|2,0,0]=4 1355 B11R1.25 CCC(=O)CSc1cncs1 62a_100011934649_100000747405 [0,0,0,0,0,2|2,0,0]=4 1356 B11R1.25 CCC(=O)CSc1cscn1 62a_100000747405_100000751502 [0,0,0,0,0,2|2,0,0]=4 1357 B11R1.25 CCC(=O)CSc1cscn1 62a_100000751502_100000747405 [0,0,0,0,0,2|2,0,0]=4 1358 B11R1.25 CCC(=O)CSc1nc[nH]n1 62a_100000747405_100000761765 [0,0,0,0,0,2|2,0,0]=4 1359 B11R1.25 CCC(=O)CSc1nc[nH]n1 62a_100000761765_100000747405 [0,0,0,0,0,2|2,0,0]=4 1360 B11R1.25 CCC(=O)CSc1ncc[nH]1 62a_100000747405_100025796157 [0,0,0,0,0,2|1,0,0]=3 1361 B11R1.25 CCC(=O)CSc1ncc[nH]1 62a_100025796157_100000747405 [0,0,0,0,0,2|1,0,0]=3 1362 B11R1.25 CCC(=O)CSc1ncco1 62a_100000747405_100011787736 [0,0,0,0,0,2|0,1,0]=3 1363 B11R1.25 CCC(=O)CSc1ncco1 62a_100011787736_100000747405 [0,0,0,0,0,2|0,1,0]=3 1364 B11R1.25 CCC(=O)CSc1nccs1 62a_100000211983_100000747405 [0,0,0,0,0,2|0,0,0]=2 1365 B11R1.25 CCC(=O)CSc1nccs1 62a_100000747405_100000211983 [0,0,0,0,0,2|0,0,0]=2 1366 B11R1.25 CCC(=O)CSc1ncns1 62a_100000693119_100000747405 [0,0,0,0,0,2|1,0,0]=3 1367 B11R1.25 CCC(=O)CSc1ncns1 62a_100000747405_100000693119 [0,0,0,0,0,2|1,0,0]=3 1368 B11R1.25 CCC(=O)CSc1nncs1 62a_100000739804_100000747405 [0,0,0,0,0,2|1,0,0]=3 1369 B11R1.25 CCC(=O)CSc1nncs1 62a_100000747405_100000739804 [0,0,0,0,0,2|1,0,0]=3 1370 B11R1.25 CCC(=O)NCc1c[nH]cn1 11a_100000758547_100000210414 [0,0,0,0,0,2|2,0,0]=4 1371 B11R1.25 CCC(=O)NCc1c[nH]cn1 240690a_100000758547_100000210414 [0,0,0,0,0,2|2,0,0]=4 1372 B11R1.25 CCC(=O)NCc1c[nH]cn1 527a_100000758547_100000210414 [0,0,0,0,0,2|2,0,0]=4 1373 B11R1.25 CCC(=O)NCc1cc[nH]n1 11a_100000739516_100000210414 [0,0,0,0,0,2|2,0,0]=4 1374 B11R1.25 CCC(=O)NCc1cc[nH]n1 240690a_100000739516_100000210414 [0,0,0,0,0,2|2,0,0]=4 1375 B11R1.25 CCC(=O)NCc1cc[nH]n1 527a_100000739516_100000210414 [0,0,0,0,0,2|2,0,0]=4 1376 B11R1.25 CCC(=O)NCc1ccc[nH]1 11a_100000764082_100000210414 [0,0,0,0,0,2|1,0,1]=4 1377 B11R1.25 CCC(=O)NCc1ccc[nH]1 240690a_100000764082_100000210414 [0,0,0,0,0,2|1,0,1]=4 1378 B11R1.25 CCC(=O)NCc1ccc[nH]1 527a_100000764082_100000210414 [0,0,0,0,0,2|1,0,1]=4 1379 B11R1.25 CCC(=O)NCc1ccco1 11a_100000185738_100000210414 [0,0,0,0,0,2|1,1,0]=4 1380 B11R1.25 CCC(=O)NCc1ccco1 1626a_100000185738_100000210414 [0,0,0,0,0,2|1,1,0]=4 1381 B11R1.25 CCC(=O)NCc1ccco1 240690a_100000185738_100000210414 [0,0,0,0,0,2|1,1,0]=4 1382 B11R1.25 CCC(=O)NCc1ccco1 527a_100000185738_100000210414 [0,0,0,0,0,2|1,1,0]=4 1383 B11R1.25 CCC(=O)NCc1cccs1 11a_100000211653_100000210414 [0,0,0,0,0,2|1,0,0]=3 1384 B11R1.25 CCC(=O)NCc1cccs1 1626a_100000211653_100000210414 [0,0,0,0,0,2|1,0,0]=3 1385 B11R1.25 CCC(=O)NCc1cccs1 240690a_100000211653_100000210414 [0,0,0,0,0,2|1,0,0]=3 1386 B11R1.25 CCC(=O)NCc1cccs1 527a_100000211653_100000210414 [0,0,0,0,0,2|1,0,0]=3 1387 B11R1.25 CCC(=O)NCc1ccon1 11a_100000688301_100000210414 [0,0,0,0,0,2|2,0,0]=4 1388 B11R1.25 CCC(=O)NCc1ccon1 240690a_100000688301_100000210414 [0,0,0,0,0,2|2,0,0]=4 1389 B11R1.25 CCC(=O)NCc1ccon1 527a_100000688301_100000210414 [0,0,0,0,0,2|2,0,0]=4 1390 B11R1.25 CCC(=O)NCc1cncs1 11a_100016987365_100000210414 [0,0,0,0,0,2|2,0,0]=4 1391 B11R1.25 CCC(=O)NCc1cncs1 240690a_100016987365_100000210414 [0,0,0,0,0,2|2,0,0]=4 1392 B11R1.25 CCC(=O)NCc1cncs1 527a_100016987365_100000210414 [0,0,0,0,0,2|2,0,0]=4 1393 B11R1.25 CCC(=O)NCc1cocn1 11a_100015188801_100000210414 [0,0,0,0,0,2|2,0,0]=4 1394 B11R1.25 CCC(=O)NCc1cocn1 240690a_100015188801_100000210414 [0,0,0,0,0,2|2,0,0]=4 1395 B11R1.25 CCC(=O)NCc1cocn1 527a_100015188801_100000210414 [0,0,0,0,0,2|2,0,0]=4 1396 B11R1.25 CCC(=O)NCc1cscn1 11a_100015185402_100000210414 [0,0,0,0,0,2|2,0,0]=4 1397 B11R1.25 CCC(=O)NCc1cscn1 1626a_100015185402_100000210414 [0,0,0,0,0,2|2,0,0]=4 1398 B11R1.25 CCC(=O)NCc1cscn1 240690a_100015185402_100000210414 [0,0,0,0,0,2|2,0,0]=4 1399 B11R1.25 CCC(=O)NCc1cscn1 527a_100015185402_100000210414 [0,0,0,0,0,2|2,0,0]=4 1400 B11R1.25 CCC(=O)NCc1ncc[nH]1 11a_100000754540_100000210414 [0,0,0,0,0,2|1,0,0]=3 1401 B11R1.25 CCC(=O)NCc1ncc[nH]1 240690a_100000754540_100000210414 [0,0,0,0,0,2|1,0,0]=3 1402 B11R1.25 CCC(=O)NCc1ncc[nH]1 527a_100000754540_100000210414 [0,0,0,0,0,2|1,0,0]=3 1403 B11R1.25 CCC(=O)NCc1ncco1 11a_100016994969_100000210414 [0,0,0,0,0,2|0,1,0]=3 1404 B11R1.25 CCC(=O)NCc1ncco1 1626a_100016994969_100000210414 [0,0,0,0,0,2|0,1,0]=3 1405 B11R1.25 CCC(=O)NCc1ncco1 240690a_100016994969_100000210414 [0,0,0,0,0,2|0,1,0]=3 1406 B11R1.25 CCC(=O)NCc1ncco1 527a_100016994969_100000210414 [0,0,0,0,0,2|0,1,0]=3 1407 B11R1.25 CCC(=O)NCc1nccs1 11a_100000740555_100000210414 [0,0,0,0,0,2|0,0,0]=2 1408 B11R1.25 CCC(=O)NCc1nccs1 1626a_100000740555_100000210414 [0,0,0,0,0,2|0,0,0]=2 1409 B11R1.25 CCC(=O)NCc1nccs1 240690a_100000740555_100000210414 [0,0,0,0,0,2|0,0,0]=2 1410 B11R1.25 CCC(=O)NCc1nccs1 527a_100000740555_100000210414 [0,0,0,0,0,2|0,0,0]=2 1411 B11R1.25 CCC(=O)NCc1nnc[nH]1 11a_200015183720_100000210414 [0,0,0,0,0,2|2,0,0]=4 1412 B11R1.25 CCC(=O)NCc1nnc[nH]1 240690a_200015183720_100000210414 [0,0,0,0,0,2|2,0,0]=4 1413 B11R1.25 CCC(=O)NCc1nnc[nH]1 527a_200015183720_100000210414 [0,0,0,0,0,2|2,0,0]=4 1414 B11R1.25 CCC(=O)NN=C1CC=CC1 4a_100000183195_100000766571 [0,0,0,0,0,2|2,0,0]=4 1415 B11R1.25 CCC(=O)NNc1nccs1 22a_100011198208_100000210414 [0,0,0,0,0,2|0,0,0]=2 1416 B11R1.25 CCC(C)CSc1nccs1 62a_100000211983_100000748023 [0,0,0,0,0,2|1,0,1]=4 1417 B11R1.25 CCC(C)CSc1nccs1 62a_100000748023_100000211983 [0,0,0,0,0,2|1,0,1]=4 1418 B11R1.25 CCC(C)NCc1nccs1 207a_100000209981_100000750902 [0,0,0,0,0,2|1,0,1]=4 1419 B11R1.25 CCC(C)NCc1nccs1 2230a_100000209981_100015184050 [0,0,0,0,0,2|1,0,1]=4 1420 B11R1.25 CCC(C)NCc1nccs1 2230a_100000740555_100000758301 [0,0,0,0,0,2|1,0,1]=4 1421 B11R1.25 CCC(C)NCc1nccs1 270004a_100000209981_100000750902 [0,0,0,0,0,2|1,0,1]=4 1422 B11R1.25 CCC(C)OCc1nccs1 7a_100000210228_100015184050 [0,0,0,0,0,2|1,0,1]=4 1423 B11R1.25 CCC(C)SCc1nccs1 62a_100000758301_100015184050 [0,0,0,0,0,2|1,0,1]=4 1424 B11R1.25 CCC(C)SCc1nccs1 62a_100015184050_100000758301 [0,0,0,0,0,2|1,0,1]=4 1425 B11R1.25 CCC(O)CSc1nccs1 62a_100000211983_100011218378 [0,0,0,0,0,2|0,0,2]=4 1426 B11R1.25 CCC(O)CSc1nccs1 62a_100011218378_100000211983 [0,0,0,0,0,2|0,0,2]=4 1427 B11R1.25 CC[C@H](C)CSc1nccs1 62a_100000211983_100009816398 [0,0,0,0,0,2|1,0,1]=4 1428 B11R1.25 CC[C@H](C)CSc1nccs1 62a_100009816398_100000211983 [0,0,0,0,0,2|1,0,1]=4 1429 B11R1.25 CNC(=O)C=Cc1cccs1 11a_106832991635_100000182767 [0,0,0,0,0,2|2,0,0]=4 1430 B11R1.25 CNC(=O)C=Cc1cccs1 1626a_100102657272_100000182767 [0,0,0,0,0,2|2,0,0]=4 1431 B11R1.25 CNC(=O)C=Cc1cccs1 240690a_100102657272_100000182767 [0,0,0,0,0,2|2,0,0]=4 1432 B11R1.25 CNC(=O)C=Cc1nccs1 11a_106832991635_100102558208 [0,0,0,0,0,2|1,0,0]=3 1433 B11R1.25 CNC(=O)C=Cc1nccs1 240690a_100102657272_100102558208 [0,0,0,0,0,2|1,0,0]=3 1434 B11R1.25 CNC(=O)CCc1cccs1 11a_106832991635_100000185280 [0,0,0,0,0,2|2,0,0]=4 1435 B11R1.25 CNC(=O)CCc1cccs1 1626a_100102657272_100000185280 [0,0,0,0,0,2|2,0,0]=4 1436 B11R1.25 CNC(=O)CCc1cccs1 240690a_100102657272_100000185280 [0,0,0,0,0,2|2,0,0]=4 1437 B11R1.25 CNC(=O)CCc1cccs1 527a_100102657272_100000185280 [0,0,0,0,0,2|2,0,0]=4 1438 B11R1.25 CNC(=O)CCc1ncc[nH]1 240690a_100102657272_100000722789 [0,0,0,0,0,2|2,0,0]=4 1439 B11R1.25 CNC(=O)CCc1ncc[nH]1 527a_100102657272_100000722789 [0,0,0,0,0,2|2,0,0]=4 1440 B11R1.25 CNC(=O)CCc1nccs1 11a_106832991635_100000742873 [0,0,0,0,0,2|1,0,0]=3 1441 B11R1.25 CNC(=O)CCc1nccs1 1626a_100102657272_100000742873 [0,0,0,0,0,2|1,0,0]=3 1442 B11R1.25 CNC(=O)CCc1nccs1 240690a_100102657272_100000742873 [0,0,0,0,0,2|1,0,0]=3 1443 B11R1.25 CNC(=O)CCc1nccs1 527a_100102657272_100000742873 [0,0,0,0,0,2|1,0,0]=3 1444 B11R1.25 CNC(=O)CNc1ncns1 27a_100000693194_100000693119 [0,0,0,0,0,2|2,0,0]=4 1445 B11R1.25 CNC(=O)CNc1nncs1 27a_100000693194_100000739804 [0,0,0,0,0,2|2,0,0]=4 1446 B11R1.25 CNC(=O)CSc1cccs1 62a_100000183359_100011215356 [0,0,0,0,0,2|2,0,0]=4 1447 B11R1.25 CNC(=O)CSc1cccs1 62a_100011215356_100000183359 [0,0,0,0,0,2|2,0,0]=4 1448 B11R1.25 CNC(=O)CSc1ncc[nH]1 62a_100000183359_100025796157 [0,0,0,0,0,2|2,0,0]=4 1449 B11R1.25 CNC(=O)CSc1ncc[nH]1 62a_100025796157_100000183359 [0,0,0,0,0,2|2,0,0]=4 1450 B11R1.25 CNC(=O)CSc1ncco1 62a_100000183359_100011787736 [0,0,0,0,0,2|1,1,0]=4 1451 B11R1.25 CNC(=O)CSc1ncco1 62a_100011787736_100000183359 [0,0,0,0,0,2|1,1,0]=4 1452 B11R1.25 CNC(=O)CSc1nccs1 11a_106832991635_100000739254 [0,0,0,0,0,2|1,0,0]=3 1453 B11R1.25 CNC(=O)CSc1nccs1 1626a_100102657272_100000739254 [0,0,0,0,0,2|1,0,0]=3 1454 B11R1.25 CNC(=O)CSc1nccs1 240690a_100102657272_100000739254 [0,0,0,0,0,2|1,0,0]=3 1455 B11R1.25 CNC(=O)CSc1nccs1 62a_100000183359_100000211983 [0,0,0,0,0,2|1,0,0]=3 1456 B11R1.25 CNC(=O)CSc1nccs1 62a_100000211983_100000183359 [0,0,0,0,0,2|1,0,0]=3 1457 B11R1.25 CNC(=O)CSc1ncns1 62a_100000183359_100000693119 [0,0,0,0,0,2|2,0,0]=4 1458 B11R1.25 CNC(=O)CSc1ncns1 62a_100000693119_100000183359 [0,0,0,0,0,2|2,0,0]=4 1459 B11R1.25 CNC(=O)CSc1nncs1 62a_100000183359_100000739804 [0,0,0,0,0,2|2,0,0]=4 1460 B11R1.25 CNC(=O)CSc1nncs1 62a_100000739804_100000183359 [0,0,0,0,0,2|2,0,0]=4 1461 B11R1.25 CNC(=O)NCc1cccs1 2708a_100000211653_106832991635 [0,0,0,0,0,2|2,0,0]=4 1462 B11R1.25 CNC(=O)NCc1cccs1 2708a_100102657272_100000211653 [0,0,0,0,0,2|2,0,0]=4 1463 B11R1.25 CNC(=O)NCc1cccs1 273464a_100000211653_100102657272 [0,0,0,0,0,2|2,0,0]=4 1464 B11R1.25 CNC(=O)NCc1cccs1 273464a_100102657272_100000211653 [0,0,0,0,0,2|2,0,0]=4 1465 B11R1.25 CNC(=O)NCc1cccs1 512a_100000211653_100102657272 [0,0,0,0,0,2|2,0,0]=4 1466 B11R1.25 CNC(=O)NCc1cccs1 512a_106832991638_100000211653 [0,0,0,0,0,2|2,0,0]=4 1467 B11R1.25 CNC(=O)NCc1ncc[nH]1 2708a_100000754540_106832991635 [0,0,0,0,0,2|2,0,0]=4 1468 B11R1.25 CNC(=O)NCc1ncc[nH]1 2708a_100102657272_100000754540 [0,0,0,0,0,2|2,0,0]=4 1469 B11R1.25 CNC(=O)NCc1ncc[nH]1 273464a_100000754540_100102657272 [0,0,0,0,0,2|2,0,0]=4 1470 B11R1.25 CNC(=O)NCc1ncc[nH]1 273464a_100102657272_100000754540 [0,0,0,0,0,2|2,0,0]=4 1471 B11R1.25 CNC(=O)NCc1ncc[nH]1 512a_100000754540_100102657272 [0,0,0,0,0,2|2,0,0]=4 1472 B11R1.25 CNC(=O)NCc1ncc[nH]1 512a_106832991638_100000754540 [0,0,0,0,0,2|2,0,0]=4 1473 B11R1.25 CNC(=O)NCc1ncco1 2708a_100016994969_106832991635 [0,0,0,0,0,2|1,1,0]=4 1474 B11R1.25 CNC(=O)NCc1ncco1 2708a_100102657272_100016994969 [0,0,0,0,0,2|1,1,0]=4 1475 B11R1.25 CNC(=O)NCc1ncco1 273464a_100016994969_100102657272 [0,0,0,0,0,2|1,1,0]=4 1476 B11R1.25 CNC(=O)NCc1ncco1 273464a_100102657272_100016994969 [0,0,0,0,0,2|1,1,0]=4 1477 B11R1.25 CNC(=O)NCc1ncco1 512a_100016994969_100102657272 [0,0,0,0,0,2|1,1,0]=4 1478 B11R1.25 CNC(=O)NCc1ncco1 512a_106832991638_100016994969 [0,0,0,0,0,2|1,1,0]=4 1479 B11R1.25 CNC(=O)NCc1nccs1 2708a_100000740555_106832991635 [0,0,0,0,0,2|1,0,0]=3 1480 B11R1.25 CNC(=O)NCc1nccs1 2708a_100102657272_100000740555 [0,0,0,0,0,2|1,0,0]=3 1481 B11R1.25 CNC(=O)NCc1nccs1 273464a_100000740555_100102657272 [0,0,0,0,0,2|1,0,0]=3 1482 B11R1.25 CNC(=O)NCc1nccs1 273464a_100102657272_100000740555 [0,0,0,0,0,2|1,0,0]=3 1483 B11R1.25 CNC(=O)NCc1nccs1 512a_100000740555_100102657272 [0,0,0,0,0,2|1,0,0]=3 1484 B11R1.25 CNC(=O)NCc1nccs1 512a_106832991638_100000740555 [0,0,0,0,0,2|1,0,0]=3 1485 B11R1.25 CNC(=O)NNc1nccs1 273464a_100102657272_100011198208 [0,0,0,0,0,2|1,0,0]=3 1486 B11R1.25 CNC(=O)NNc1nccs1 512a_106832991638_100011198208 [0,0,0,0,0,2|1,0,0]=3 1487 B11R1.25 COC(=O)CSc1cccs1 62a_100000747449_100011215356 [0,0,0,0,0,2|2,0,0]=4 1488 B11R1.25 COC(=O)CSc1cccs1 62a_100011215356_100000747449 [0,0,0,0,0,2|2,0,0]=4 1489 B11R1.25 COC(=O)CSc1ncc[nH]1 62a_100000747449_100025796157 [0,0,0,0,0,2|2,0,0]=4 1490 B11R1.25 COC(=O)CSc1ncc[nH]1 62a_100025796157_100000747449 [0,0,0,0,0,2|2,0,0]=4 1491 B11R1.25 COC(=O)CSc1ncco1 62a_100000747449_100011787736 [0,0,0,0,0,2|1,1,0]=4 1492 B11R1.25 COC(=O)CSc1ncco1 62a_100011787736_100000747449 [0,0,0,0,0,2|1,1,0]=4 1493 B11R1.25 COC(=O)CSc1nccs1 62a_100000211983_100000747449 [0,0,0,0,0,2|1,0,0]=3 1494 B11R1.25 COC(=O)CSc1nccs1 62a_100000747449_100000211983 [0,0,0,0,0,2|1,0,0]=3 1495 B11R1.25 COC(=O)CSc1ncns1 62a_100000693119_100000747449 [0,0,0,0,0,2|2,0,0]=4 1496 B11R1.25 COC(=O)CSc1ncns1 62a_100000747449_100000693119 [0,0,0,0,0,2|2,0,0]=4 1497 B11R1.25 COC(=O)CSc1nncs1 62a_100000739804_100000747449 [0,0,0,0,0,2|2,0,0]=4 1498 B11R1.25 COC(=O)CSc1nncs1 62a_100000747449_100000739804 [0,0,0,0,0,2|2,0,0]=4 1499 B11R1.25 O=C(C=Cc1cccs1)CF 1458a_100000182767_100015361967 [0,0,0,0,0,2|2,0,0]=4 1500 B11R1.25 O=C(C=Cc1nccs1)CBr 6a_100000750902_100009888967 [0,0,0,0,0,2|1,0,0]=3 1501 B11R1.25 O=C(C=Cc1nccs1)CCl 6a_100000750902_100000086384 [0,0,0,0,0,2|1,0,0]=3 1502 B11R1.25 O=C(C=Cc1nccs1)CF 1458a_100102558208_100015361967 [0,0,0,0,0,2|1,0,0]=3 1503 B11R1.25 O=C(C=Cc1nccs1)CF 6a_100000750902_100000764096 [0,0,0,0,0,2|1,0,0]=3 1504 B11R1.25 O=C(CF)CCc1cccs1 1458a_100000185280_100015361967 [0,0,0,0,0,2|2,0,0]=4 1505 B11R1.25 O=C(CF)CCc1ncc[nH]1 1458a_100000722789_100015361967 [0,0,0,0,0,2|2,0,0]=4 1506 B11R1.25 O=C(CF)CCc1nccs1 1458a_100000742873_100015361967 [0,0,0,0,0,2|1,0,0]=3 1507 B11R1.25 O=C(CO)CCc1cccs1 1458a_100000210174_100000748579 [0,0,0,0,0,2|2,0,0]=4 1508 B11R1.25 O=C(CO)NCc1cccs1 240690a_100000211653_100000210174 [0,0,0,0,0,2|2,0,0]=4 1509 B11R1.25 O=C(CO)NCc1cccs1 527a_100000211653_100000210174 [0,0,0,0,0,2|2,0,0]=4 1510 B11R1.25 O=C(CO)NCc1ncc[nH]1 240690a_100000754540_100000210174 [0,0,0,0,0,2|2,0,0]=4 1511 B11R1.25 O=C(CO)NCc1ncc[nH]1 527a_100000754540_100000210174 [0,0,0,0,0,2|2,0,0]=4 1512 B11R1.25 O=C(CO)NCc1ncco1 240690a_100016994969_100000210174 [0,0,0,0,0,2|1,1,0]=4 1513 B11R1.25 O=C(CO)NCc1ncco1 527a_100016994969_100000210174 [0,0,0,0,0,2|1,1,0]=4 1514 B11R1.25 O=C(CO)NCc1nccs1 240690a_100000740555_100000210174 [0,0,0,0,0,2|1,0,0]=3 1515 B11R1.25 O=C(CO)NCc1nccs1 527a_100000740555_100000210174 [0,0,0,0,0,2|1,0,0]=3 1516 B11R1.25 O=C(CO)NNc1nccs1 22a_100011198208_100000210174 [0,0,0,0,0,2|1,0,0]=3