0 B9R1.11 CC(N[13CH3])c1cccs1 2230a_100000703493_200025704644 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.11 CCC(=O)C1=CCCC1 1458a_100000038896_100000210202 [0,0,0,0,0,0|1,0,2]=3 2 B9R1.11 CCC(=O)C1=CCOC1 1458a_100000139269_100000210202 [0,0,0,0,0,0|2,0,1]=3 3 B9R1.11 CCC(=O)C1=COCC1 1458a_100000750620_100000210202 [0,0,0,0,0,0|2,0,1]=3 4 B9R1.11 CCC(=O)C1CC=CC1 1458a_100000759439_100000210202 [0,0,0,0,0,0|1,0,2]=3 5 B9R1.11 CCC(=O)N1CC=CC1 1626a_100015195280_100000210414 [0,0,0,0,0,0|2,0,1]=3 6 B9R1.11 CCC(=O)N1CC=CC1 240690a_100015195280_100000210414 [0,0,0,0,0,0|2,0,1]=3 7 B9R1.11 CNC(=O)C1=CCCC1 11a_106832991635_100000038896 [0,0,0,0,0,0|2,0,2]=4 8 B9R1.11 CNC(=O)C1=CCCC1 1626a_100102657272_100000038896 [0,0,0,0,0,0|2,0,2]=4 9 B9R1.11 CNC(=O)C1=CCCC1 240690a_100102657272_100000038896 [0,0,0,0,0,0|2,0,2]=4 10 B9R1.11 CNC(=O)C1=CCOC1 11a_106832991635_100000139269 [0,0,0,0,0,0|3,0,1]=4 11 B9R1.11 CNC(=O)C1=CCOC1 1626a_100102657272_100000139269 [0,0,0,0,0,0|3,0,1]=4 12 B9R1.11 CNC(=O)C1=CCOC1 240690a_100102657272_100000139269 [0,0,0,0,0,0|3,0,1]=4 13 B9R1.11 CNC(=O)C1=COCC1 1626a_100102657272_100000750620 [0,0,0,0,0,0|3,0,1]=4 14 B9R1.11 CNC(=O)C1=COCC1 240690a_100102657272_100000750620 [0,0,0,0,0,0|3,0,1]=4 15 B9R1.11 CNC(=O)C1CC=CC1 11a_106832991635_100000759439 [0,0,0,0,0,0|2,0,2]=4 16 B9R1.11 CNC(=O)C1CC=CC1 1626a_100102657272_100000759439 [0,0,0,0,0,0|2,0,2]=4 17 B9R1.11 CNC(=O)C1CC=CC1 240690a_100102657272_100000759439 [0,0,0,0,0,0|2,0,2]=4 18 B9R1.11 CNC(=O)C1CC=CC1 527a_100102657272_100000759439 [0,0,0,0,0,0|2,0,2]=4 19 B9R1.11 CNC(=O)N1CC=CC1 2708a_100102657272_100015195280 [0,0,0,0,0,0|3,0,1]=4 20 B9R1.11 CNC(=O)N1CC=CC1 273464a_100102657272_100015195280 [0,0,0,0,0,0|3,0,1]=4 21 B9R1.11 CNC(C)c1ccc[nH]1 269862a_106832991636_100000183661 [0,0,0,0,0,0|2,0,1]=3 22 B9R1.11 CNC(C)c1cccs1 2230a_100000703493_200000210301 [0,0,0,0,0,0|3,0,1]=4 23 B9R1.11 CNC(C)c1cccs1 269862a_106832991636_100000185736 [0,0,0,0,0,0|3,0,1]=4 24 B9R1.11 CNC(C)c1ccn[nH]1 269862a_106832991636_100000747476 [0,0,0,0,0,0|3,0,1]=4 25 B9R1.11 CNC(C)c1ncc[nH]1 269862a_106832991636_100000718901 [0,0,0,0,0,0|3,0,1]=4 26 B9R1.11 CN[C@H](C)c1ccco1 2230a_100160469435_200000210301 [0,0,0,0,0,0|3,0,1]=4 27 B9R1.11 CO[C@@H](C)c1ccco1 34a_100000755270_200000210301 [0,0,0,0,0,0|3,0,1]=4 28 B9R1.11 CO[C@@H](C)c1ccco1 7a_100000755270_200000210301 [0,0,0,0,0,0|3,0,1]=4 29 B9R1.11 CO[C@H](C)c1cccs1 7a_100000750433_200000210301 [0,0,0,0,0,0|3,0,1]=4 30 B9R1.11 C[C@@H](N[13CH3])c1ccco1 2230a_100160469435_200025704644 [0,0,0,0,0,0|3,0,1]=4 31 B9R1.11 C[C@@H](O[13CH3])c1cccs1 7a_100000750433_200025704644 [0,0,0,0,0,0|3,0,1]=4 32 B9R1.11 C[C@H](O[13CH3])c1ccco1 34a_100000755270_200025704644 [0,0,0,0,0,0|3,0,1]=4 33 B9R1.11 C[C@H](O[13CH3])c1ccco1 7a_100000755270_200025704644 [0,0,0,0,0,0|3,0,1]=4 34 B9R1.11 O=C(CF)C1=CCCC1 1458a_100000038896_100015361967 [0,0,0,0,0,0|2,0,2]=4 35 B9R1.11 O=C(CF)C1=CCOC1 1458a_100000139269_100015361967 [0,0,0,0,0,0|3,0,1]=4 36 B9R1.11 O=C(CF)C1=COCC1 1458a_100000750620_100015361967 [0,0,0,0,0,0|3,0,1]=4 37 B9R1.11 O=C(CF)C1CC=CC1 1458a_100000759439_100015361967 [0,0,0,0,0,0|2,0,2]=4 38 B9R1.11 O=C(CO)N1CC=CC1 240690a_100015195280_100000210174 [0,0,0,0,0,0|3,0,1]=4 39 B8R1.7 C=C(C)c1c[nH]cn1 271570a_100000694244_100000756875 [1,0,0,0,0,0|2,0,1]=4 40 B8R1.7 C=C(C)c1cc[nH]n1 271570a_100000694244_100000062575 [1,0,0,0,0,0|2,0,1]=4 41 B8R1.7 C=C(C)c1ccco1 271570a_100000694244_100009814098 [1,0,0,0,0,0|2,0,0]=3 42 B8R1.7 C=C(C)c1cccs1 271570a_100000694244_100011215356 [1,0,0,0,0,0|2,0,0]=3 43 B8R1.7 C=C(C)c1ccoc1 271570a_100000694244_100011215275 [1,0,0,0,0,0|3,0,0]=4 44 B8R1.7 C=C(C)c1ccsc1 271570a_100000694244_100000738268 [1,0,0,0,0,0|3,0,0]=4 45 B8R1.7 C=C(C)c1ccsn1 271570a_100000694244_100009818082 [1,0,0,0,0,0|2,0,1]=4 46 B8R1.7 C=C(C)c1cnco1 271570a_100000694244_100020591547 [1,0,0,0,0,0|3,0,0]=4 47 B8R1.7 C=C(C)c1cncs1 271570a_100000694244_100011934649 [1,0,0,0,0,0|3,0,0]=4 48 B8R1.7 C=C(C)c1cscn1 271570a_100000694244_100000751502 [1,0,0,0,0,0|2,0,1]=4 49 B8R1.7 C=C(C)c1ncc[nH]1 271570a_100000694244_100025796157 [1,0,0,0,0,0|2,0,0]=3 50 B8R1.7 C=C(C)c1ncco1 271570a_100000694244_100011787736 [1,0,0,0,0,0|2,0,1]=4 51 B8R1.7 C=C(C)c1nccs1 271570a_100000694244_100000211983 [1,0,0,0,0,0|2,0,1]=4 52 B8R1.7 CC(=O)C1=CCCC1 1458a_100000038896_200000210301 [1,0,0,0,0,0|1,0,2]=4 53 B8R1.7 CC(=O)C1=CCOC1 1458a_100000139269_200000210301 [1,0,0,0,0,0|2,0,1]=4 54 B8R1.7 CC(=O)C1=COCC1 1458a_100000750620_200000210301 [1,0,0,0,0,0|2,0,1]=4 55 B8R1.7 CC(=O)C1CC=CC1 1458a_100000759439_200000210301 [1,0,0,0,0,0|1,0,2]=4 56 B8R1.7 CC(=O)N1CC=CC1 1626a_100015195280_100015343762 [1,0,0,0,0,0|2,0,1]=4 57 B8R1.7 CC(=O)N1CC=CC1 240690a_100015195280_100015343762 [1,0,0,0,0,0|2,0,1]=4 58 B8R1.7 [13CH3]C(=O)C1=CCCC1 1458a_100000038896_200025704644 [1,0,0,0,0,0|1,0,2]=4 59 B8R1.7 [13CH3]C(=O)C1=CCOC1 1458a_100000139269_200025704644 [1,0,0,0,0,0|2,0,1]=4 60 B8R1.7 [13CH3]C(=O)C1=COCC1 1458a_100000750620_200025704644 [1,0,0,0,0,0|2,0,1]=4 61 B8R1.7 [13CH3]C(=O)C1CC=CC1 1458a_100000759439_200025704644 [1,0,0,0,0,0|1,0,2]=4 62 B8R1.8 C=C=Cc1ccco1 271570a_100015277604_100009814098 [1,0,0,0,0,0|1,0,2]=4 63 B8R1.8 C=C=Cc1cccs1 271570a_100015277604_100011215356 [1,0,0,0,0,0|1,0,2]=4 64 B8R1.8 C=C=Cc1ncc[nH]1 271570a_100015277604_100025796157 [1,0,0,0,0,0|1,0,2]=4 65 B8R1.8 CC=Cc1c[nH]cn1 271570a_100016259895_100000756875 [1,0,0,0,0,0|1,0,2]=4 66 B8R1.8 CC=Cc1cc[nH]n1 271570a_100016259895_100000062575 [1,0,0,0,0,0|1,0,2]=4 67 B8R1.8 CC=Cc1ccco1 271570a_100016259895_100009814098 [1,0,0,0,0,0|1,0,1]=3 68 B8R1.8 CC=Cc1cccs1 271570a_100016259895_100011215356 [1,0,0,0,0,0|1,0,1]=3 69 B8R1.8 CC=Cc1ccoc1 271570a_100016259895_100011215275 [1,0,0,0,0,0|2,0,1]=4 70 B8R1.8 CC=Cc1ccsc1 271570a_100016259895_100000738268 [1,0,0,0,0,0|2,0,1]=4 71 B8R1.8 CC=Cc1ccsn1 271570a_100016259895_100009818082 [1,0,0,0,0,0|1,0,2]=4 72 B8R1.8 CC=Cc1cnco1 271570a_100016259895_100020591547 [1,0,0,0,0,0|2,0,1]=4 73 B8R1.8 CC=Cc1cncs1 271570a_100016259895_100011934649 [1,0,0,0,0,0|2,0,1]=4 74 B8R1.8 CC=Cc1cscn1 271570a_100016259895_100000751502 [1,0,0,0,0,0|1,0,2]=4 75 B8R1.8 CC=Cc1ncc[nH]1 271570a_100016259895_100025796157 [1,0,0,0,0,0|1,0,1]=3 76 B8R1.8 CC=Cc1ncco1 271570a_100016259895_100011787736 [1,0,0,0,0,0|1,0,2]=4 77 B8R1.8 CC=Cc1nccs1 271570a_100016259895_100000211983 [1,0,0,0,0,0|1,0,2]=4 78 B8R1.8 CCOc1ccsc1 34a_100000106738_100000210202 [1,0,0,0,0,0|3,0,0]=4 79 B8R1.8 CCOc1ccsc1 7a_100000106738_100000210202 [1,0,0,0,0,0|3,0,0]=4 80 B8R1.8 CCSc1c[nH]cn1 62a_100000210202_100000756875 [1,0,0,0,0,0|2,0,1]=4 81 B8R1.8 CCSc1c[nH]cn1 62a_100000756875_100000210202 [1,0,0,0,0,0|2,0,1]=4 82 B8R1.8 CCSc1cc[nH]n1 62a_100000062575_100000210202 [1,0,0,0,0,0|2,0,1]=4 83 B8R1.8 CCSc1cc[nH]n1 62a_100000210202_100000062575 [1,0,0,0,0,0|2,0,1]=4 84 B8R1.8 CCSc1ccco1 62a_100000210202_100009814098 [1,0,0,0,0,0|2,0,0]=3 85 B8R1.8 CCSc1ccco1 62a_100009814098_100000210202 [1,0,0,0,0,0|2,0,0]=3 86 B8R1.8 CCSc1cccs1 62a_100000210202_100011215356 [1,0,0,0,0,0|2,0,0]=3 87 B8R1.8 CCSc1cccs1 62a_100011215356_100000210202 [1,0,0,0,0,0|2,0,0]=3 88 B8R1.8 CCSc1ccoc1 62a_100000210202_100011215275 [1,0,0,0,0,0|3,0,0]=4 89 B8R1.8 CCSc1ccoc1 62a_100011215275_100000210202 [1,0,0,0,0,0|3,0,0]=4 90 B8R1.8 CCSc1ccon1 62a_100000210202_100009818083 [1,0,0,0,0,0|2,0,1]=4 91 B8R1.8 CCSc1ccon1 62a_100009818083_100000210202 [1,0,0,0,0,0|2,0,1]=4 92 B8R1.8 CCSc1ccsc1 62a_100000210202_100000738268 [1,0,0,0,0,0|3,0,0]=4 93 B8R1.8 CCSc1ccsc1 62a_100000738268_100000210202 [1,0,0,0,0,0|3,0,0]=4 94 B8R1.8 CCSc1ccsn1 62a_100000210202_100009818082 [1,0,0,0,0,0|2,0,1]=4 95 B8R1.8 CCSc1ccsn1 62a_100009818082_100000210202 [1,0,0,0,0,0|2,0,1]=4 96 B8R1.8 CCSc1cnco1 62a_100000210202_100020591547 [1,0,0,0,0,0|3,0,0]=4 97 B8R1.8 CCSc1cnco1 62a_100020591547_100000210202 [1,0,0,0,0,0|3,0,0]=4 98 B8R1.8 CCSc1cncs1 62a_100000210202_100011934649 [1,0,0,0,0,0|3,0,0]=4 99 B8R1.8 CCSc1cncs1 62a_100011934649_100000210202 [1,0,0,0,0,0|3,0,0]=4 100 B8R1.8 CCSc1cscn1 62a_100000210202_100000751502 [1,0,0,0,0,0|2,0,1]=4 101 B8R1.8 CCSc1cscn1 62a_100000751502_100000210202 [1,0,0,0,0,0|2,0,1]=4 102 B8R1.8 CCSc1ncc[nH]1 62a_100000210202_100025796157 [1,0,0,0,0,0|2,0,0]=3 103 B8R1.8 CCSc1ncc[nH]1 62a_100025796157_100000210202 [1,0,0,0,0,0|2,0,0]=3 104 B8R1.8 CCSc1ncco1 62a_100000210202_100011787736 [1,0,0,0,0,0|2,0,1]=4 105 B8R1.8 CCSc1ncco1 62a_100011787736_100000210202 [1,0,0,0,0,0|2,0,1]=4 106 B8R1.8 CCSc1nccs1 62a_100000210202_100000211983 [1,0,0,0,0,0|2,0,1]=4 107 B8R1.8 CCSc1nccs1 62a_100000211983_100000210202 [1,0,0,0,0,0|2,0,1]=4 108 B8R1.8 CNCc1ccco1 207a_100102657272_100000186105 [1,0,0,0,0,0|2,0,1]=4 109 B8R1.8 CNCc1ccco1 2230a_100000185738_200000210301 [1,0,0,0,0,0|2,0,1]=4 110 B8R1.8 CNCc1ccco1 270004a_106832991635_100000186105 [1,0,0,0,0,0|2,0,1]=4 111 B8R1.8 CNCc1ccco1 34a_100000185738_200000210301 [1,0,0,0,0,0|2,0,1]=4 112 B8R1.8 CNCc1cccs1 207a_100102657272_100000209959 [1,0,0,0,0,0|2,0,1]=4 113 B8R1.8 CNCc1cccs1 2230a_100000211653_200000210301 [1,0,0,0,0,0|2,0,1]=4 114 B8R1.8 CNCc1cccs1 270004a_106832991635_100000209959 [1,0,0,0,0,0|2,0,1]=4 115 B8R1.8 CNCc1ccn[nH]1 2230a_106832991635_100000728653 [1,0,0,0,0,0|2,0,1]=4 116 B8R1.8 CNCc1ccn[nH]1 34a_100102657272_100000728653 [1,0,0,0,0,0|2,0,1]=4 117 B8R1.8 CNCc1ccn[nH]1 7a_106832991635_100000728653 [1,0,0,0,0,0|2,0,1]=4 118 B8R1.8 CNCc1cnc[nH]1 207a_100102657272_100000742939 [1,0,0,0,0,0|2,0,1]=4 119 B8R1.8 CNCc1ncc[nH]1 207a_100102657272_100000743867 [1,0,0,0,0,0|2,0,1]=4 120 B8R1.8 CNCc1ncc[nH]1 2230a_106832991635_100016991755 [1,0,0,0,0,0|2,0,1]=4 121 B8R1.8 CNCc1ncc[nH]1 34a_100102657272_100016991755 [1,0,0,0,0,0|2,0,1]=4 122 B8R1.8 CNCc1ncc[nH]1 7a_106832991635_100000753453 [1,0,0,0,0,0|2,0,1]=4 123 B8R1.8 COCc1ccco1 34a_100000210059_200000210301 [1,0,0,0,0,0|2,0,1]=4 124 B8R1.8 COCc1cccs1 34a_100000211240_200000210301 [1,0,0,0,0,0|2,0,1]=4 125 B8R1.8 COCc1ccn[nH]1 34a_100138415774_100000728653 [1,0,0,0,0,0|2,0,1]=4 126 B8R1.8 COCc1ncc[nH]1 34a_100138415774_100016991755 [1,0,0,0,0,0|2,0,1]=4 127 B8R1.8 CSCc1ccn[nH]1 62a_100000728653_200000210301 [1,0,0,0,0,0|2,0,1]=4 128 B8R1.8 CSCc1ccn[nH]1 62a_200000210301_100000728653 [1,0,0,0,0,0|2,0,1]=4 129 B8R1.8 CSCc1ncc[nH]1 62a_100016991755_200000210301 [1,0,0,0,0,0|2,0,1]=4 130 B8R1.8 CSCc1ncc[nH]1 62a_200000210301_100016991755 [1,0,0,0,0,0|2,0,1]=4 131 B8R1.8 FCSc1ccco1 62a_100009814098_100015361967 [1,0,0,0,0,0|3,0,0]=4 132 B8R1.8 FCSc1ccco1 62a_100015361967_100009814098 [1,0,0,0,0,0|3,0,0]=4 133 B8R1.8 FCSc1cccs1 62a_100011215356_100015361967 [1,0,0,0,0,0|3,0,0]=4 134 B8R1.8 FCSc1cccs1 62a_100015361967_100011215356 [1,0,0,0,0,0|3,0,0]=4 135 B8R1.8 FCSc1ncc[nH]1 62a_100015361967_100025796157 [1,0,0,0,0,0|3,0,0]=4 136 B8R1.8 FCSc1ncc[nH]1 62a_100025796157_100015361967 [1,0,0,0,0,0|3,0,0]=4 137 B8R1.8 [13CH3]NCc1ccco1 2230a_100000185738_200025704644 [1,0,0,0,0,0|2,0,1]=4 138 B8R1.8 [13CH3]NCc1ccco1 34a_100000185738_200025704644 [1,0,0,0,0,0|2,0,1]=4 139 B8R1.8 [13CH3]NCc1cccs1 2230a_100000211653_200025704644 [1,0,0,0,0,0|2,0,1]=4 140 B8R1.8 [13CH3]OCc1ccco1 34a_100000210059_200025704644 [1,0,0,0,0,0|2,0,1]=4 141 B8R1.8 [13CH3]OCc1cccs1 34a_100000211240_200025704644 [1,0,0,0,0,0|2,0,1]=4 142 B8R1.8 [13CH3]SCc1ccn[nH]1 62a_100000728653_200025704644 [1,0,0,0,0,0|2,0,1]=4 143 B8R1.8 [13CH3]SCc1ccn[nH]1 62a_200025704644_100000728653 [1,0,0,0,0,0|2,0,1]=4 144 B8R1.8 [13CH3]SCc1ncc[nH]1 62a_100016991755_200025704644 [1,0,0,0,0,0|2,0,1]=4 145 B8R1.8 [13CH3]SCc1ncc[nH]1 62a_200025704644_100016991755 [1,0,0,0,0,0|2,0,1]=4 146 B10R1.6 CNS(=O)(=O)c1ccco1 270084a_100102657272_200000702926 [0,1,0,0,0,0|3,0,0]=4 147 B10R1.6 CNS(=O)(=O)c1ccco1 274078a_100102657272_200000702926 [0,1,0,0,0,0|3,0,0]=4 148 B10R1.6 CNS(=O)(=O)c1cccs1 270084a_100102657272_100000205146 [0,1,0,0,0,0|3,0,0]=4 149 B10R1.6 CNS(=O)(=O)c1cccs1 274078a_100102657272_100000205146 [0,1,0,0,0,0|3,0,0]=4 150 B10R1.6 CNS(=O)(=O)c1cccs1 40a_100102657272_200000102146 [0,1,0,0,0,0|3,0,0]=4 151 B10R1.9 CCC(NC)c1ccc[nH]1 269862a_106832991636_200000242565 [0,1,0,0,0,0|1,0,1]=3 152 B10R1.9 CCC(NC)c1ccco1 2230a_100015202707_200000210301 [0,1,0,0,0,0|2,0,1]=4 153 B10R1.9 CCC(NC)c1ccco1 269862a_106832991636_100000749595 [0,1,0,0,0,0|2,0,1]=4 154 B10R1.9 CCC(NC)c1cccs1 2230a_100000743277_200000210301 [0,1,0,0,0,0|2,0,1]=4 155 B10R1.9 CCC(NC)c1cccs1 269862a_106832991636_100000211688 [0,1,0,0,0,0|2,0,1]=4 156 B10R1.9 CCC(N[13CH3])c1ccco1 2230a_100015202707_200025704644 [0,1,0,0,0,0|2,0,1]=4 157 B10R1.9 CCC(N[13CH3])c1cccs1 2230a_100000743277_200025704644 [0,1,0,0,0,0|2,0,1]=4 158 B10R1.11 CCCC(=O)C1=CCCC1 1458a_100000038896_100000210303 [0,1,0,0,0,0|1,0,2]=4 159 B10R1.11 CCCC(=O)C1=CCOC1 1458a_100000139269_100000210303 [0,1,0,0,0,0|2,0,1]=4 160 B10R1.11 CCCC(=O)C1=COCC1 1458a_100000750620_100000210303 [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|1,0,2]=4 162 B10R1.11 CCCC(=O)N1CC=CC1 1626a_100015195280_100000211992 [0,1,0,0,0,0|2,0,1]=4 163 B10R1.11 CCCC(=O)N1CC=CC1 240690a_100015195280_100000211992 [0,1,0,0,0,0|2,0,1]=4 164 B10R1.11 CCNC(=O)C1=CCCC1 11a_100015525214_100000038896 [0,1,0,0,0,0|1,0,2]=4 165 B10R1.11 CCNC(=O)C1=CCCC1 240690a_100015525214_100000038896 [0,1,0,0,0,0|1,0,2]=4 166 B10R1.11 CCNC(=O)C1=CCOC1 11a_100015525214_100000139269 [0,1,0,0,0,0|2,0,1]=4 167 B10R1.11 CCNC(=O)C1=CCOC1 240690a_100015525214_100000139269 [0,1,0,0,0,0|2,0,1]=4 168 B10R1.11 CCNC(=O)C1=COCC1 240690a_100015525214_100000750620 [0,1,0,0,0,0|2,0,1]=4 169 B10R1.11 CCNC(=O)C1CC=CC1 11a_100015525214_100000759439 [0,1,0,0,0,0|1,0,2]=4 170 B10R1.11 CCNC(=O)C1CC=CC1 240690a_100015525214_100000759439 [0,1,0,0,0,0|1,0,2]=4 171 B10R1.11 CCNC(=O)C1CC=CC1 527a_100015525214_100000759439 [0,1,0,0,0,0|1,0,2]=4 172 B10R1.11 CCNC(=O)N1CC=CC1 2708a_100015525214_100015195280 [0,1,0,0,0,0|2,0,1]=4 173 B10R1.11 CCNC(=O)N1CC=CC1 273464a_100015525214_100015195280 [0,1,0,0,0,0|2,0,1]=4 174 B10R1.11 CCNC(C)c1ccc[nH]1 269862a_100015525214_100000183661 [0,1,0,0,0,0|1,0,1]=3 175 B10R1.11 CCNC(C)c1cccs1 2230a_100000703493_100000210202 [0,1,0,0,0,0|2,0,1]=4 176 B10R1.11 CCNC(C)c1cccs1 269862a_100015525214_100000185736 [0,1,0,0,0,0|2,0,1]=4 177 B10R1.11 CCNC(C)c1ccn[nH]1 269862a_100015525214_100000747476 [0,1,0,0,0,0|2,0,1]=4 178 B10R1.11 CCNC(C)c1ncc[nH]1 269862a_100015525214_100000718901 [0,1,0,0,0,0|2,0,1]=4 179 B10R1.11 CCN[C@H](C)c1ccco1 2230a_100160469435_100000210202 [0,1,0,0,0,0|2,0,1]=4 180 B10R1.11 CCO[C@@H](C)c1ccco1 34a_100000755270_100000210202 [0,1,0,0,0,0|2,0,1]=4 181 B10R1.11 CCO[C@@H](C)c1ccco1 7a_100000755270_100000210202 [0,1,0,0,0,0|2,0,1]=4 182 B10R1.11 CCO[C@H](C)c1cccs1 7a_100000750433_100000210202 [0,1,0,0,0,0|2,0,1]=4 183 B10R1.11 CNCC(=O)c1ccc[nH]1 7a_106832991635_200011262396 [0,1,0,0,0,0|0,0,0]=1 184 B10R1.11 CNCC(=O)c1ccco1 7a_106832991635_100000211439 [0,1,0,0,0,0|1,0,0]=2 185 B10R1.11 CNCC(=O)c1cccs1 2230a_106832991635_100000211436 [0,1,0,0,0,0|1,0,0]=2 186 B10R1.11 CNCC(=O)c1cccs1 7a_106832991635_100000211436 [0,1,0,0,0,0|1,0,0]=2 187 B10R1.11 CNCC(=O)c1ccsc1 2230a_106832991635_100011219462 [0,1,0,0,0,0|2,0,0]=3 188 B10R1.11 CNCC(=O)c1ccsc1 34a_100102657272_100011219462 [0,1,0,0,0,0|2,0,0]=3 189 B10R1.11 CNCC(=O)c1ccsc1 7a_106832991635_100011219462 [0,1,0,0,0,0|2,0,0]=3 190 B10R1.11 CNCC(=O)c1nccs1 7a_106832991635_100000718653 [0,1,0,0,0,0|1,0,1]=3 191 B10R1.11 CNCC(=O)n1cccn1 2230a_106832991635_100000077511 [0,1,0,0,0,0|1,0,1]=3 192 B10R1.11 CNCC(=O)n1cccn1 7a_106832991635_100000077511 [0,1,0,0,0,0|1,0,1]=3 193 B10R1.11 CNCC(O)c1ccco1 2230a_100000738650_200000210301 [0,1,0,0,0,0|1,0,2]=4 194 B10R1.11 COCC(=O)N1CC=CC1 1626a_100015195280_100000210968 [0,1,0,0,0,0|2,0,1]=4 195 B10R1.11 COCC(=O)N1CC=CC1 240690a_100015195280_100000210968 [0,1,0,0,0,0|2,0,1]=4 196 B10R1.11 COCC(=O)c1ccsc1 34a_100138415774_100011219462 [0,1,0,0,0,0|2,0,0]=3 197 B10R1.11 COCC(N)c1cccs1 34a_100102422791_200000210301 [0,1,0,0,0,0|2,0,1]=4 198 B10R1.11 CSCC(=O)N1CC=CC1 1626a_100015195280_100000184570 [0,1,0,0,0,0|2,0,1]=4 199 B10R1.11 CSCC(=O)N1CC=CC1 240690a_100015195280_100000184570 [0,1,0,0,0,0|2,0,1]=4 200 B10R1.11 CSCC(=O)c1ccc[nH]1 62a_200000210301_200011262396 [0,1,0,0,0,0|0,0,0]=1 201 B10R1.11 CSCC(=O)c1ccc[nH]1 62a_200011262396_200000210301 [0,1,0,0,0,0|0,0,0]=1 202 B10R1.11 CSCC(=O)c1ccco1 62a_100000211439_200000210301 [0,1,0,0,0,0|1,0,0]=2 203 B10R1.11 CSCC(=O)c1ccco1 62a_200000210301_100000211439 [0,1,0,0,0,0|1,0,0]=2 204 B10R1.11 CSCC(=O)c1cccs1 62a_100000211436_200000210301 [0,1,0,0,0,0|1,0,0]=2 205 B10R1.11 CSCC(=O)c1cccs1 62a_200000210301_100000211436 [0,1,0,0,0,0|1,0,0]=2 206 B10R1.11 CSCC(=O)c1ccsc1 62a_100011219462_200000210301 [0,1,0,0,0,0|2,0,0]=3 207 B10R1.11 CSCC(=O)c1ccsc1 62a_200000210301_100011219462 [0,1,0,0,0,0|2,0,0]=3 208 B10R1.11 CSCC(=O)c1nccs1 62a_100000718653_200000210301 [0,1,0,0,0,0|1,0,1]=3 209 B10R1.11 CSCC(=O)c1nccs1 62a_200000210301_100000718653 [0,1,0,0,0,0|1,0,1]=3 210 B10R1.11 CSCC(=O)n1cccn1 62a_100000077511_200000210301 [0,1,0,0,0,0|1,0,1]=3 211 B10R1.11 CSCC(=O)n1cccn1 62a_200000210301_100000077511 [0,1,0,0,0,0|1,0,1]=3 212 B10R1.11 O=C(CCF)C1=CCCC1 1458a_100000038896_100011217306 [0,1,0,0,0,0|1,0,2]=4 213 B10R1.11 O=C(CCF)C1=CCOC1 1458a_100000139269_100011217306 [0,1,0,0,0,0|2,0,1]=4 214 B10R1.11 O=C(CCF)C1=COCC1 1458a_100000750620_100011217306 [0,1,0,0,0,0|2,0,1]=4 215 B10R1.11 O=C(CCF)C1CC=CC1 1458a_100000759439_100011217306 [0,1,0,0,0,0|1,0,2]=4 216 B10R1.11 O=C(CCO)C1=CCCC1 1458a_100000038896_100000211926 [0,1,0,0,0,0|1,0,2]=4 217 B10R1.11 O=C(CCO)C1=CCOC1 1458a_100000139269_100000211926 [0,1,0,0,0,0|2,0,1]=4 218 B10R1.11 O=C(CCO)C1=COCC1 1458a_100000750620_100000211926 [0,1,0,0,0,0|2,0,1]=4 219 B10R1.11 O=C(CCO)C1CC=CC1 1458a_100000759439_100000211926 [0,1,0,0,0,0|1,0,2]=4 220 B10R1.11 O=C(CCO)N1CC=CC1 240690a_100015195280_100011216618 [0,1,0,0,0,0|2,0,1]=4 221 B10R1.11 [13CH3]NCC(O)c1ccco1 2230a_100000738650_200025704644 [0,1,0,0,0,0|1,0,2]=4 222 B10R1.11 [13CH3]OCC(N)c1cccs1 34a_100102422791_200025704644 [0,1,0,0,0,0|2,0,1]=4 223 B10R1.11 [13CH3]SCC(=O)c1ccc[nH]1 62a_200011262396_200025704644 [0,1,0,0,0,0|0,0,0]=1 224 B10R1.11 [13CH3]SCC(=O)c1ccc[nH]1 62a_200025704644_200011262396 [0,1,0,0,0,0|0,0,0]=1 225 B10R1.11 [13CH3]SCC(=O)c1ccco1 62a_100000211439_200025704644 [0,1,0,0,0,0|1,0,0]=2 226 B10R1.11 [13CH3]SCC(=O)c1ccco1 62a_200025704644_100000211439 [0,1,0,0,0,0|1,0,0]=2 227 B10R1.11 [13CH3]SCC(=O)c1cccs1 62a_100000211436_200025704644 [0,1,0,0,0,0|1,0,0]=2 228 B10R1.11 [13CH3]SCC(=O)c1cccs1 62a_200025704644_100000211436 [0,1,0,0,0,0|1,0,0]=2 229 B10R1.11 [13CH3]SCC(=O)c1ccsc1 62a_100011219462_200025704644 [0,1,0,0,0,0|2,0,0]=3 230 B10R1.11 [13CH3]SCC(=O)c1ccsc1 62a_200025704644_100011219462 [0,1,0,0,0,0|2,0,0]=3 231 B10R1.11 [13CH3]SCC(=O)c1nccs1 62a_100000718653_200025704644 [0,1,0,0,0,0|1,0,1]=3 232 B10R1.11 [13CH3]SCC(=O)c1nccs1 62a_200025704644_100000718653 [0,1,0,0,0,0|1,0,1]=3 233 B10R1.11 [13CH3]SCC(=O)n1cccn1 62a_100000077511_200025704644 [0,1,0,0,0,0|1,0,1]=3 234 B10R1.11 [13CH3]SCC(=O)n1cccn1 62a_200025704644_100000077511 [0,1,0,0,0,0|1,0,1]=3 235 B10R1.14 CCC(=O)C1CCC(=O)N1 1458a_100000210400_100000210202 [0,1,0,0,0,0|0,0,3]=4 236 B10R1.14 CCC(=O)C1CNC(=O)N1 1458a_100000033324_100000210202 [0,1,0,0,0,0|1,0,2]=4 237 B10R1.14 CCC(=O)[C@@H]1CSC(=O)N1 1458a_100000735014_100000210202 [0,1,0,0,0,0|1,0,2]=4 238 B10R1.14 CCC(=O)c1ccc(s1)O 271570a_203496583355_200011203577 [0,1,0,0,0,0|1,0,0]=2 239 B10R1.14 CNC(=O)c1ccc(o1)O 271570a_203496583355_100000159859 [0,1,0,0,0,0|2,0,0]=3 240 B10R1.14 CNC(=O)c1ccc(s1)O 271570a_203496583355_200000155069 [0,1,0,0,0,0|2,0,0]=3 241 B10R1.14 CNC(=O)c1csc(n1)O 271570a_203496583355_100010260535 [0,1,0,0,0,0|2,0,1]=4 242 B10R1.14 CNC(C)c1ccc([nH]1)Br 269862a_106832991636_200010494458 [0,1,0,0,0,0|2,0,1]=4 243 B10R1.14 COC(=O)c1c[nH]c(c1)O 271570a_203496583355_100009840242 [0,1,0,0,0,0|3,0,0]=4 244 B10R1.14 COC(=O)c1cc([nH]n1)O 271570a_203496583355_100010760819 [0,1,0,0,0,0|2,0,1]=4 245 B10R1.14 COC(=O)c1cc(co1)O 271570a_203496583355_100009992624 [0,1,0,0,0,0|2,0,0]=3 246 B10R1.14 COC(=O)c1cc(cs1)O 271570a_203496583355_100009815473 [0,1,0,0,0,0|2,0,0]=3 247 B10R1.14 COC(=O)c1ccc([nH]1)O 271570a_203496583355_100000687774 [0,1,0,0,0,0|1,0,0]=2 248 B10R1.14 COC(=O)c1ccc(o1)O 271570a_203496583355_100000148852 [0,1,0,0,0,0|2,0,0]=3 249 B10R1.14 COC(=O)c1ccc(s1)O 271570a_203496583355_100000148107 [0,1,0,0,0,0|2,0,0]=3 250 B10R1.14 COC(=O)c1cnc([nH]1)O 271570a_203496583355_106744473586 [0,1,0,0,0,0|2,0,0]=3 251 B10R1.14 COC(=O)c1cnc(s1)O 271570a_203496583355_100000738003 [0,1,0,0,0,0|3,0,0]=4 252 B10R1.14 COC(=O)c1coc(n1)O 271570a_203496583355_100010235569 [0,1,0,0,0,0|2,0,1]=4 253 B10R1.14 COC(=O)c1csc(c1)O 271570a_203496583355_100000692058 [0,1,0,0,0,0|3,0,0]=4 254 B10R1.14 COC(=O)c1csc(n1)O 271570a_203496583355_100009816811 [0,1,0,0,0,0|2,0,1]=4 255 B10R1.14 COC(=O)c1nc(cs1)O 271570a_203496583355_100012360158 [0,1,0,0,0,0|2,0,1]=4 256 B10R1.14 COC(=O)c1nc(n[nH]1)O 271570a_203496583355_100010173354 [0,1,0,0,0,0|3,0,0]=4 257 B10R1.14 COC(=O)c1ncc(s1)O 271570a_203496583355_100010191244 [0,1,0,0,0,0|2,0,1]=4 258 B10R1.14 NNC(=O)c1ccc(o1)O 271570a_203496583355_100000186364 [0,1,0,0,0,0|3,0,0]=4 259 B10R1.14 NNC(=O)c1ccc(s1)O 271570a_203496583355_100000180196 [0,1,0,0,0,0|3,0,0]=4 260 B10R1.23 CC(=C(C)c1ccco1)C 271570a_200000049429_100009814098 [0,1,0,0,0,0|2,0,1]=4 261 B10R1.23 CC(=C(C)c1cccs1)C 271570a_200000049429_100011215356 [0,1,0,0,0,0|2,0,1]=4 262 B10R1.23 CC(=C(C)c1ncc[nH]1)C 271570a_200000049429_100025796157 [0,1,0,0,0,0|2,0,1]=4 263 B10R1.23 CC(C)C(=O)C1=CCCC1 1458a_100000038896_100000210206 [0,1,0,0,0,0|1,0,2]=4 264 B10R1.23 CC(C)C(=O)C1=CCOC1 1458a_100000139269_100000210206 [0,1,0,0,0,0|2,0,1]=4 265 B10R1.23 CC(C)C(=O)C1=COCC1 1458a_100000750620_100000210206 [0,1,0,0,0,0|2,0,1]=4 266 B10R1.23 CC(C)C(=O)C1CC=CC1 1458a_100000759439_100000210206 [0,1,0,0,0,0|1,0,2]=4 267 B10R1.23 CC(C)C(=O)N1CC=CC1 1626a_100015195280_100000210198 [0,1,0,0,0,0|2,0,1]=4 268 B10R1.23 CC(C)C(=O)N1CC=CC1 240690a_100015195280_100000210198 [0,1,0,0,0,0|2,0,1]=4 269 B10R1.23 CC(F)C(=O)N1CC=CC1 1626a_100015195280_100000062450 [0,1,0,0,0,0|2,0,1]=4 270 B10R1.23 CC(F)C(=O)N1CC=CC1 240690a_100015195280_100000062450 [0,1,0,0,0,0|2,0,1]=4 271 B10R1.23 C[C@@H](O)C(=O)N1CC=CC1 240690a_100015195280_100000717761 [0,1,0,0,0,0|2,0,1]=4 272 B10R1.23 C[C@H](O)C(=O)N1CC=CC1 1626a_100015195280_217856618621 [0,1,0,0,0,0|2,0,1]=4 273 B10R1.23 C[C@H](O)C(=O)N1CC=CC1 240690a_100015195280_217856618621 [0,1,0,0,0,0|2,0,1]=4 274 B10R1.149 CNC(C)c1cccn1C 269862a_106832991636_100000709046 [0,1,0,0,0,0|2,0,1]=4 275 B10R1.149 COC(=O)c1[nH]ccc1O 271570a_203496583355_100102525103 [0,1,0,0,0,0|1,0,0]=2 276 B10R1.149 COC(=O)c1[nH]cnc1O 271570a_203496583355_100010290838 [0,1,0,0,0,0|2,0,0]=3 277 B10R1.149 COC(=O)c1[nH]ncc1O 271570a_203496583355_100011934057 [0,1,0,0,0,0|2,0,0]=3 278 B10R1.149 COC(=O)c1ccoc1O 271570a_203496583355_100011935261 [0,1,0,0,0,0|3,0,0]=4 279 B10R1.149 COC(=O)c1ccsc1O 271570a_203496583355_100009822520 [0,1,0,0,0,0|3,0,0]=4 280 B10R1.149 COC(=O)c1cscc1O 271570a_203496583355_100012351140 [0,1,0,0,0,0|3,0,0]=4 281 B10R1.149 COC(=O)c1ncsc1O 271570a_203496583355_100009816836 [0,1,0,0,0,0|2,0,1]=4 282 B10R1.149 COC(=O)c1occc1O 271570a_203496583355_100012676306 [0,1,0,0,0,0|2,0,0]=3 283 B10R1.149 COC(=O)c1sccc1O 271570a_203496583355_100000730364 [0,1,0,0,0,0|2,0,0]=3 284 B10R1.149 COC(=O)c1scnc1O 271570a_203496583355_100013370767 [0,1,0,0,0,0|3,0,0]=4 285 B8R0.3 C=CCC(=O)C(=O)NC 1458a_100011218921_100000210623 [0,0,1,0,0,0|2,0,1]=4 286 B8R0.3 C=CCC(C)C(=O)CC 1458a_100011216819_100000210202 [0,0,1,0,0,0|1,0,2]=4 287 B8R0.3 C=CCN(C)C(=O)CC 11a_100000225617_100000210414 [0,0,1,0,0,0|2,0,1]=4 288 B8R0.3 C=CCN(C)C(=O)CC 1626a_100000225617_100000210414 [0,0,1,0,0,0|2,0,1]=4 289 B8R0.3 C=CCN(C)C(=O)CC 240690a_100000225617_100000210414 [0,0,1,0,0,0|2,0,1]=4 290 B8R0.3 C=CCN(C)C(=O)CC 527a_100000225617_100000210414 [0,0,1,0,0,0|2,0,1]=4 291 B8R0.3 CC/C=C(\C)/C(=O)CC 1458a_100016988807_100000210202 [0,0,1,0,0,0|1,0,2]=4 292 B8R0.3 CCNC(=O)C(=O)CC 1458a_200011297158_100000210202 [0,0,1,0,0,0|1,0,2]=4 293 B8R0.6 C/C=C/C=CC(=O)CC 1458a_100000185730_100000210202 [0,0,1,0,0,0|1,0,0]=2 294 B8R0.6 C/C=C/C=CC(=O)CF 1458a_100000185730_100015361967 [0,0,1,0,0,0|2,0,0]=3 295 B8R0.6 C/C=C/C=CC(=O)NC 11a_106832991635_100000185730 [0,0,1,0,0,0|2,0,0]=3 296 B8R0.6 C/C=C/C=CC(=O)NC 1626a_100102657272_100000185730 [0,0,1,0,0,0|2,0,0]=3 297 B8R0.6 C/C=C/C=CC(=O)NC 240690a_100102657272_100000185730 [0,0,1,0,0,0|2,0,0]=3 298 B8R0.6 C=CCCCC(=O)CC 1458a_100000210414_100000757094 [0,0,1,0,0,0|1,0,2]=4 299 B8R0.6 C=CCCCC(=O)CC 1458a_100000766728_100000210202 [0,0,1,0,0,0|1,0,2]=4 300 B8R0.6 C=CCCNC(=O)CC 11a_100015191253_100000210414 [0,0,1,0,0,0|2,0,1]=4 301 B8R0.6 C=CCCNC(=O)CC 1626a_100015191253_100000210414 [0,0,1,0,0,0|2,0,1]=4 302 B8R0.6 C=CCCNC(=O)CC 240690a_100015191253_100000210414 [0,0,1,0,0,0|2,0,1]=4 303 B8R0.6 C=CCCNC(=O)CC 527a_100015191253_100000210414 [0,0,1,0,0,0|2,0,1]=4 304 B8R0.6 C=CCNCC(=O)NC 2230a_100000693194_100000210623 [0,0,1,0,0,0|1,0,2]=4 305 B8R0.6 C=CCNCC(=O)NC 2230a_100020586998_100000183359 [0,0,1,0,0,0|1,0,2]=4 306 B8R0.6 C=CCNCC(=O)OC 2230a_100020586998_100000747449 [0,0,1,0,0,0|1,0,2]=4 307 B8R0.6 C=CCNNC(=O)CC 22a_100020588587_100000210414 [0,0,1,0,0,0|1,0,1]=3 308 B8R0.6 C=CCNNC(=O)CO 22a_100020588587_100000210174 [0,0,1,0,0,0|2,0,1]=4 309 B8R0.6 C=CCNNC(=O)NC 273464a_100102657272_100020588587 [0,0,1,0,0,0|2,0,1]=4 310 B8R0.6 C=CCNNC(=O)NC 512a_100020588587_100102657272 [0,0,1,0,0,0|2,0,1]=4 311 B8R0.6 C=CCNNC(=O)NC 512a_106832991638_100020588587 [0,0,1,0,0,0|2,0,1]=4 312 B8R0.6 C=CCOCC(=O)CC 34a_100000725409_100015514636 [0,0,1,0,0,0|1,0,2]=4 313 B8R0.6 C=CCSCC(=O)CC 1458a_100000230395_100000210202 [0,0,1,0,0,0|1,0,2]=4 314 B8R0.6 C=CCSCC(=O)CC 62a_100000210623_100000747405 [0,0,1,0,0,0|1,0,2]=4 315 B8R0.6 C=CCSCC(=O)CC 62a_100000747405_100000210623 [0,0,1,0,0,0|1,0,2]=4 316 B8R0.6 C=COCCC(=O)CC 1458a_100000210414_100000039644 [0,0,1,0,0,0|2,0,1]=4 317 B8R0.6 CC/C=C/CC(=O)CC 1458a_100016274230_100000210202 [0,0,1,0,0,0|1,0,2]=4 318 B8R0.6 CC/C=C\CC(=O)CC 1458a_100000210414_100103147603 [0,0,1,0,0,0|1,0,2]=4 319 B8R0.6 CCC(=O)C=CCOC 1458a_100016285016_100000210202 [0,0,1,0,0,0|2,0,1]=4 320 B8R0.6 CCCC=CC(=O)CC 1458a_100000212230_100000210202 [0,0,1,0,0,0|1,0,2]=4 321 B8R0.6 CCOC=CC(=O)CC 1458a_100016266692_100000210202 [0,0,1,0,0,0|2,0,1]=4 322 B10R1.15 CCC(=O)C1=CCCCC1 1458a_100000765259_100000210202 [0,0,0,0,0,1|1,0,2]=4 323 B10R1.15 CCC(=O)C1=CCCCO1 1458a_100000764163_100000210202 [0,0,0,0,0,1|1,0,2]=4 324 B10R1.15 CCC(=O)C1=COCCC1 1458a_100000749935_100000210202 [0,0,0,0,0,1|1,0,2]=4 325 B10R1.15 CCC(=O)C1=COCCO1 1458a_100000008702_100000210202 [0,0,0,0,0,1|1,0,2]=4 326 B10R1.15 CCC(=O)C1C=CCCC1 1458a_100000210414_100000751183 [0,0,0,0,0,1|1,0,2]=4 327 B10R1.15 CCC(=O)N1CC=CCC1 11a_100000698166_100000210414 [0,0,0,0,0,1|2,0,1]=4 328 B10R1.15 CCC(=O)N1CC=CCC1 1626a_100000698166_100000210414 [0,0,0,0,0,1|2,0,1]=4 329 B10R1.15 CCC(=O)N1CC=CCC1 240690a_100000698166_100000210414 [0,0,0,0,0,1|2,0,1]=4 330 B10R1.15 CCC(=O)N1CC=CCC1 527a_100000698166_100000210414 [0,0,0,0,0,1|2,0,1]=4 331 B10R1.15 CCC(=O)[C@H]1CC=CCC1 1458a_100009820709_100000210202 [0,0,0,0,0,1|1,0,2]=4 332 B10R1.15 CCC(=O)c1ccccc1 1458a_100000185807_100000210202 [0,0,0,0,0,1|1,0,0]=2 333 B10R1.15 CCN(C)c1ccccc1 2230a_100000210012_100000210202 [0,0,0,0,0,1|3,0,0]=4 334 B10R1.15 CCN(C)c1ccccc1 2230a_100000210013_200000210301 [0,0,0,0,0,1|3,0,0]=4 335 B10R1.15 CCN(C)c1ccccc1 269982a_100000210012_100000204670 [0,0,0,0,0,1|3,0,0]=4 336 B10R1.15 CCN(C)c1ccccc1 269982a_100000210013_200000210301 [0,0,0,0,0,1|3,0,0]=4 337 B10R1.15 CCN(C)c1ccccc1 34a_100000210012_100000210202 [0,0,0,0,0,1|3,0,0]=4 338 B10R1.15 CCN(C)c1ccccc1 34a_100000210013_200000210301 [0,0,0,0,0,1|3,0,0]=4 339 B10R1.15 CCN([13CH3])c1ccccc1 2230a_100000210013_200025704644 [0,0,0,0,0,1|3,0,0]=4 340 B10R1.15 CCN([13CH3])c1ccccc1 269982a_100000210013_200025704644 [0,0,0,0,0,1|3,0,0]=4 341 B10R1.15 CCN([13CH3])c1ccccc1 34a_100000210013_200025704644 [0,0,0,0,0,1|3,0,0]=4 342 B10R1.15 CNC(=O)c1ccccc1 11a_106832991635_100000185807 [0,0,0,0,0,1|2,0,0]=3 343 B10R1.15 CNC(=O)c1ccccc1 1626a_100102657272_100000185807 [0,0,0,0,0,1|2,0,0]=3 344 B10R1.15 CNC(=O)c1ccccc1 240690a_100102657272_100000185807 [0,0,0,0,0,1|2,0,0]=3 345 B10R1.15 CNC(=O)c1ccccc1 527a_100102657272_100000185807 [0,0,0,0,0,1|2,0,0]=3 346 B10R1.15 O=C(CF)c1ccccc1 1458a_100000185807_100015361967 [0,0,0,0,0,1|2,0,0]=3 347 B10R1.27 C#CC(=O)Cc1ccn[nH]1 1458a_100000211873_100000728653 [0,0,0,0,0,1|1,0,2]=4 348 B10R1.27 C=CC(=O)Cc1ccn[nH]1 1458a_100000185746_100000728653 [0,0,0,0,0,1|1,0,2]=4 349 B10R1.27 CCC(=O)CC1=CCCC1 1458a_100000050221_100000210202 [0,0,0,0,0,1|1,0,2]=4 350 B10R1.27 CCC(=O)CC1C=CCC1 1458a_100000212241_100000210202 [0,0,0,0,0,1|1,0,2]=4 351 B10R1.27 CCC(=O)CC1CC=CC1 1458a_200000137526_100000210202 [0,0,0,0,0,1|1,0,2]=4 352 B10R1.27 CCC(=O)CN1CC=CC1 269982a_100015195280_100000747405 [0,0,0,0,0,1|2,0,1]=4 353 B10R1.27 CCC(=O)Cc1c[nH]cn1 1458a_100000210414_100000707719 [0,0,0,0,0,1|1,0,1]=3 354 B10R1.27 CCC(=O)Cc1c[nH]cn1 1458a_100015291406_100000210202 [0,0,0,0,0,1|1,0,1]=3 355 B10R1.27 CCC(=O)Cc1ccc[nH]1 1458a_100000238377_100000210202 [0,0,0,0,0,1|0,0,0]=1 356 B10R1.27 CCC(=O)Cc1ccco1 1458a_100011217309_100000210202 [0,0,0,0,0,1|1,0,0]=2 357 B10R1.27 CCC(=O)Cc1cccs1 1458a_100000210189_100000210202 [0,0,0,0,0,1|1,0,0]=2 358 B10R1.27 CCC(=O)Cc1ccn[nH]1 1458a_100000210414_100000728653 [0,0,0,0,0,1|1,0,0]=2 359 B10R1.27 CCC(=O)Cc1ccn[nH]1 1458a_100000752941_100000210202 [0,0,0,0,0,1|1,0,0]=2 360 B10R1.27 CCC(=O)Cc1ccoc1 1458a_100000684892_100000210202 [0,0,0,0,0,1|2,0,0]=3 361 B10R1.27 CCC(=O)Cc1ccon1 1458a_100000210414_100000234950 [0,0,0,0,0,1|1,0,1]=3 362 B10R1.27 CCC(=O)Cc1ccsc1 1458a_100000184062_100000210202 [0,0,0,0,0,1|2,0,0]=3 363 B10R1.27 CCC(=O)Cc1ccsc1 1458a_100000210414_100011233845 [0,0,0,0,0,1|2,0,0]=3 364 B10R1.27 CCC(=O)Cc1cncs1 1458a_100000210414_100015185245 [0,0,0,0,0,1|2,0,0]=3 365 B10R1.27 CCC(=O)Cc1cscn1 1458a_100000210414_100000205941 [0,0,0,0,0,1|1,0,1]=3 366 B10R1.27 CCC(=O)Cc1cscn1 1458a_100011438297_100000210202 [0,0,0,0,0,1|1,0,1]=3 367 B10R1.27 CCC(=O)Cc1ncco1 1458a_100000210414_103436540062 [0,0,0,0,0,1|1,0,1]=3 368 B10R1.27 CCC(=O)Cc1nccs1 1458a_100000210414_100015184050 [0,0,0,0,0,1|1,0,1]=3 369 B10R1.27 CCC(=O)Cc1nnn[nH]1 1458a_100000210414_100000765167 [0,0,0,0,0,1|3,0,0]=4 370 B10R1.27 CCC(=O)Cn1cccc1 1458a_100011196272_100000210202 [0,0,0,0,0,1|2,0,0]=3 371 B10R1.27 CCC(=O)Cn1cccn1 1458a_100000233772_100000210202 [0,0,0,0,0,1|1,0,1]=3 372 B10R1.27 CCC(=O)Cn1ccnc1 1458a_100000739072_100000210202 [0,0,0,0,0,1|3,0,0]=4 373 B10R1.27 CCC(=O)Cn1ccnn1 1458a_100000080816_100000210202 [0,0,0,0,0,1|2,0,1]=4 374 B10R1.27 CCC(=O)Cn1cncn1 1458a_100000210414_200020645497 [0,0,0,0,0,1|2,0,1]=4 375 B10R1.27 CCC(=O)Cn1cncn1 1458a_100000699347_100000210202 [0,0,0,0,0,1|2,0,1]=4 376 B10R1.27 CCC(=O)Cn1nccn1 1458a_100000080817_100000210202 [0,0,0,0,0,1|2,0,1]=4 377 B10R1.27 CCC(=O)NC1C=CN=N1 11a_100134613517_100000210414 [0,0,0,0,0,1|1,0,2]=4 378 B10R1.27 CCC(=O)NC1C=CN=N1 240690a_100134613517_100000210414 [0,0,0,0,0,1|1,0,2]=4 379 B10R1.27 CCC(=O)NC1CC=CC1 11a_100015188752_100000210414 [0,0,0,0,0,1|1,0,2]=4 380 B10R1.27 CCC(=O)NC1CC=CC1 1626a_100015188752_100000210414 [0,0,0,0,0,1|1,0,2]=4 381 B10R1.27 CCC(=O)NC1CC=CC1 240690a_100015188752_100000210414 [0,0,0,0,0,1|1,0,2]=4 382 B10R1.27 CCC(=O)NC1CC=CC1 527a_100015188752_100000210414 [0,0,0,0,0,1|1,0,2]=4 383 B10R1.27 CCC(C)Sc1ccco1 62a_100000758301_100009814098 [0,0,0,0,0,1|2,0,1]=4 384 B10R1.27 CCC(C)Sc1ccco1 62a_100009814098_100000758301 [0,0,0,0,0,1|2,0,1]=4 385 B10R1.27 CCC(C)Sc1cccs1 62a_100000758301_100011215356 [0,0,0,0,0,1|2,0,1]=4 386 B10R1.27 CCC(C)Sc1cccs1 62a_100011215356_100000758301 [0,0,0,0,0,1|2,0,1]=4 387 B10R1.27 CCC(C)Sc1ncc[nH]1 62a_100000758301_100025796157 [0,0,0,0,0,1|2,0,1]=4 388 B10R1.27 CCC(C)Sc1ncc[nH]1 62a_100025796157_100000758301 [0,0,0,0,0,1|2,0,1]=4 389 B10R1.27 CCN(C)Cc1ccco1 2230a_100000185268_100000210202 [0,0,0,0,0,1|3,0,0]=4 390 B10R1.27 CCN(C)Cc1ccco1 2230a_100000739255_200000210301 [0,0,0,0,0,1|3,0,0]=4 391 B10R1.27 CCN(C)Cc1ccco1 269982a_100000185268_100000204670 [0,0,0,0,0,1|3,0,0]=4 392 B10R1.27 CCN(C)Cc1ccco1 269982a_100000739255_200000210301 [0,0,0,0,0,1|3,0,0]=4 393 B10R1.27 CCN(C)Cc1cccs1 2230a_100000184426_100000210202 [0,0,0,0,0,1|3,0,0]=4 394 B10R1.27 CCN(C)Cc1cccs1 2230a_100025770963_200000210301 [0,0,0,0,0,1|3,0,0]=4 395 B10R1.27 CCN(C)Cc1cccs1 269982a_100000184426_100000204670 [0,0,0,0,0,1|3,0,0]=4 396 B10R1.27 CCN(C)Cc1cccs1 269982a_100025770963_200000210301 [0,0,0,0,0,1|3,0,0]=4 397 B10R1.27 CCN(C)Cc1ccn[nH]1 2230a_100000225621_100000728653 [0,0,0,0,0,1|3,0,0]=4 398 B10R1.27 CCN(C)Cc1ccn[nH]1 269982a_100000225621_100000728653 [0,0,0,0,0,1|3,0,0]=4 399 B10R1.27 CCN(C)Cc1ncc[nH]1 2230a_100000225621_100016991755 [0,0,0,0,0,1|3,0,0]=4 400 B10R1.27 CCN(C)Cc1ncc[nH]1 2230a_100015184136_100000210202 [0,0,0,0,0,1|3,0,0]=4 401 B10R1.27 CCN(C)Cc1ncc[nH]1 269982a_100000225621_100016991755 [0,0,0,0,0,1|3,0,0]=4 402 B10R1.27 CCN(C)Cc1ncc[nH]1 269982a_100015184136_100000204670 [0,0,0,0,0,1|3,0,0]=4 403 B10R1.27 CCN([13CH3])Cc1ccco1 2230a_100000739255_200025704644 [0,0,0,0,0,1|3,0,0]=4 404 B10R1.27 CCN([13CH3])Cc1ccco1 269982a_100000739255_200025704644 [0,0,0,0,0,1|3,0,0]=4 405 B10R1.27 CCN([13CH3])Cc1cccs1 2230a_100025770963_200025704644 [0,0,0,0,0,1|3,0,0]=4 406 B10R1.27 CCN([13CH3])Cc1cccs1 269982a_100025770963_200025704644 [0,0,0,0,0,1|3,0,0]=4 407 B10R1.27 CNC(=O)Cc1c[nH]cn1 240690a_100102657272_100015291406 [0,0,0,0,0,1|2,0,1]=4 408 B10R1.27 CNC(=O)Cc1ccc[nH]1 11a_106832991635_100000238377 [0,0,0,0,0,1|1,0,0]=2 409 B10R1.27 CNC(=O)Cc1ccc[nH]1 240690a_100102657272_100000238377 [0,0,0,0,0,1|1,0,0]=2 410 B10R1.27 CNC(=O)Cc1ccc[nH]1 527a_100102657272_100000238377 [0,0,0,0,0,1|1,0,0]=2 411 B10R1.27 CNC(=O)Cc1ccco1 11a_106832991635_100011217309 [0,0,0,0,0,1|2,0,0]=3 412 B10R1.27 CNC(=O)Cc1ccco1 527a_100102657272_100011217309 [0,0,0,0,0,1|2,0,0]=3 413 B10R1.27 CNC(=O)Cc1cccs1 11a_106832991635_100000210189 [0,0,0,0,0,1|2,0,0]=3 414 B10R1.27 CNC(=O)Cc1cccs1 1626a_100102657272_100000210189 [0,0,0,0,0,1|2,0,0]=3 415 B10R1.27 CNC(=O)Cc1cccs1 240690a_100102657272_100000210189 [0,0,0,0,0,1|2,0,0]=3 416 B10R1.27 CNC(=O)Cc1ccn[nH]1 11a_106832991635_100000752941 [0,0,0,0,0,1|2,0,0]=3 417 B10R1.27 CNC(=O)Cc1ccn[nH]1 1626a_100102657272_100000752941 [0,0,0,0,0,1|2,0,0]=3 418 B10R1.27 CNC(=O)Cc1ccn[nH]1 240690a_100102657272_100000752941 [0,0,0,0,0,1|2,0,0]=3 419 B10R1.27 CNC(=O)Cc1ccn[nH]1 527a_100102657272_100000752941 [0,0,0,0,0,1|2,0,0]=3 420 B10R1.27 CNC(=O)Cc1ccoc1 11a_106832991635_100000684892 [0,0,0,0,0,1|3,0,0]=4 421 B10R1.27 CNC(=O)Cc1ccoc1 1626a_100102657272_100000684892 [0,0,0,0,0,1|3,0,0]=4 422 B10R1.27 CNC(=O)Cc1ccoc1 240690a_100102657272_100000684892 [0,0,0,0,0,1|3,0,0]=4 423 B10R1.27 CNC(=O)Cc1ccoc1 527a_100102657272_100000684892 [0,0,0,0,0,1|3,0,0]=4 424 B10R1.27 CNC(=O)Cc1ccsc1 11a_106832991635_100000184062 [0,0,0,0,0,1|3,0,0]=4 425 B10R1.27 CNC(=O)Cc1ccsc1 1626a_100102657272_100000184062 [0,0,0,0,0,1|3,0,0]=4 426 B10R1.27 CNC(=O)Cc1ccsc1 240690a_100102657272_100000184062 [0,0,0,0,0,1|3,0,0]=4 427 B10R1.27 CNC(=O)Cc1ccsc1 527a_100102657272_100000184062 [0,0,0,0,0,1|3,0,0]=4 428 B10R1.27 CNC(=O)Cc1cscn1 11a_106832991635_100011438297 [0,0,0,0,0,1|2,0,1]=4 429 B10R1.27 CNC(=O)Cc1cscn1 1626a_100102657272_100011438297 [0,0,0,0,0,1|2,0,1]=4 430 B10R1.27 CNC(=O)Cc1cscn1 240690a_100102657272_100011438297 [0,0,0,0,0,1|2,0,1]=4 431 B10R1.27 CNC(=O)Cc1cscn1 527a_100102657272_100011438297 [0,0,0,0,0,1|2,0,1]=4 432 B10R1.27 CNC(=O)Cn1cccc1 11a_106832991635_100011196272 [0,0,0,0,0,1|3,0,0]=4 433 B10R1.27 CNC(=O)Cn1cccc1 1626a_100102657272_100011196272 [0,0,0,0,0,1|3,0,0]=4 434 B10R1.27 CNC(=O)Cn1cccc1 527a_100102657272_100011196272 [0,0,0,0,0,1|3,0,0]=4 435 B10R1.27 CNC(=O)Cn1cccn1 11a_106832991635_100000233772 [0,0,0,0,0,1|2,0,1]=4 436 B10R1.27 CNC(=O)Cn1cccn1 1626a_100102657272_100000233772 [0,0,0,0,0,1|2,0,1]=4 437 B10R1.27 CNC(=O)Cn1cccn1 240690a_100102657272_100000233772 [0,0,0,0,0,1|2,0,1]=4 438 B10R1.27 CNC(=O)Cn1cccn1 527a_100102657272_100000233772 [0,0,0,0,0,1|2,0,1]=4 439 B10R1.27 O=C(CF)Cc1c[nH]cn1 1458a_100015291406_100015361967 [0,0,0,0,0,1|2,0,1]=4 440 B10R1.27 O=C(CF)Cc1ccc[nH]1 1458a_100000238377_100015361967 [0,0,0,0,0,1|1,0,0]=2 441 B10R1.27 O=C(CF)Cc1ccco1 1458a_100011217309_100015361967 [0,0,0,0,0,1|2,0,0]=3 442 B10R1.27 O=C(CF)Cc1cccs1 1458a_100000210189_100015361967 [0,0,0,0,0,1|2,0,0]=3 443 B10R1.27 O=C(CF)Cc1ccn[nH]1 1458a_100000752941_100015361967 [0,0,0,0,0,1|2,0,0]=3 444 B10R1.27 O=C(CF)Cc1ccoc1 1458a_100000684892_100015361967 [0,0,0,0,0,1|3,0,0]=4 445 B10R1.27 O=C(CF)Cc1ccsc1 1458a_100000184062_100015361967 [0,0,0,0,0,1|3,0,0]=4 446 B10R1.27 O=C(CF)Cc1cscn1 1458a_100011438297_100015361967 [0,0,0,0,0,1|2,0,1]=4 447 B10R1.27 O=C(CF)Cn1cccc1 1458a_100011196272_100015361967 [0,0,0,0,0,1|3,0,0]=4 448 B10R1.27 O=C(CF)Cn1cccn1 1458a_100000233772_100015361967 [0,0,0,0,0,1|2,0,1]=4 449 B10R1.27 O=C(CO)Cc1c[nH]cn1 1458a_100000210174_100000707719 [0,0,0,0,0,1|2,0,1]=4 450 B10R1.27 O=C(CO)Cc1ccn[nH]1 1458a_100000210174_100000728653 [0,0,0,0,0,1|2,0,0]=3 451 B10R1.27 O=C(CO)Cc1ccon1 1458a_100000210174_100000234950 [0,0,0,0,0,1|2,0,1]=4 452 B10R1.27 O=C(CO)Cc1ccsc1 1458a_100000210174_100011233845 [0,0,0,0,0,1|3,0,0]=4 453 B10R1.27 O=C(CO)Cc1cncs1 1458a_100000210174_100015185245 [0,0,0,0,0,1|3,0,0]=4 454 B10R1.27 O=C(CO)Cc1cscn1 1458a_100000210174_100000205941 [0,0,0,0,0,1|2,0,1]=4 455 B10R1.27 O=C(CO)Cc1ncco1 1458a_100000210174_103436540062 [0,0,0,0,0,1|2,0,1]=4 456 B10R1.27 O=C(CO)Cc1nccs1 1458a_100000210174_100015184050 [0,0,0,0,0,1|2,0,1]=4 457 B7R0.3 C/C=C/CC(=O)CC 1458a_100000210414_100102629194 [1,0,1,0,0,0|0,0,2]=4 458 B7R0.3 C=CC=CC(=O)CC 1458a_100016291481_100000210202 [1,0,1,0,0,0|0,0,0]=2 459 B7R0.3 C=CC=CC(=O)CF 1458a_100016291481_100015361967 [1,0,1,0,0,0|1,0,0]=3 460 B7R0.3 C=CC=CC(=O)NC 1626a_100102657272_100016291481 [1,0,1,0,0,0|1,0,0]=3 461 B7R0.3 C=CCCC(=O)CC 1458a_100000210414_100000754431 [1,0,1,0,0,0|0,0,2]=4 462 B7R0.3 C=CCCC(=O)CC 1458a_100000749702_100000210202 [1,0,1,0,0,0|0,0,2]=4 463 B7R0.3 C=CCNC(=O)CC 1626a_100020586998_100000210414 [1,0,1,0,0,0|0,0,1]=3 464 B7R0.3 C=CCNC(=O)CC 240690a_100020586998_100000210414 [1,0,1,0,0,0|0,0,1]=3 465 B7R0.3 C=CCNC(=O)CC 527a_100020586998_100000210414 [1,0,1,0,0,0|0,0,1]=3 466 B7R0.3 C=CCNC(=O)CO 240690a_100020586998_100000210174 [1,0,1,0,0,0|1,0,1]=4 467 B7R0.3 C=CCNC(=O)CO 527a_100020586998_100000210174 [1,0,1,0,0,0|1,0,1]=4 468 B7R0.3 C=CCNC(=O)NC 2708a_100102657272_100020586998 [1,0,1,0,0,0|1,0,1]=4 469 B7R0.3 C=CCNC(=O)NC 273464a_100020586998_100102657272 [1,0,1,0,0,0|1,0,1]=4 470 B7R0.3 C=CCNC(=O)NC 273464a_100102657272_100020586998 [1,0,1,0,0,0|1,0,1]=4 471 B7R0.3 C=CCNC(=O)NC 512a_100020586998_100102657272 [1,0,1,0,0,0|1,0,1]=4 472 B7R0.3 C=CCNC(=O)NC 512a_106832991638_100020586998 [1,0,1,0,0,0|1,0,1]=4 473 B7R0.3 CC=CCC(=O)CC 1458a_100000210414_100000070051 [1,0,1,0,0,0|0,0,2]=4 474 B7R0.3 CC=CCC(=O)CC 1458a_100121576822_100000210202 [1,0,1,0,0,0|0,0,2]=4 475 B7R0.3 CC=NNC(=O)CC 4a_100000183195_200000210099 [1,0,1,0,0,0|1,0,1]=4 476 B7R0.3 CCC(=O)C=COC 1458a_100016268678_100000210202 [1,0,1,0,0,0|1,0,1]=4 477 B7R0.3 CCC=CC(=O)CC 1458a_100000212282_100000210202 [1,0,1,0,0,0|0,0,2]=4 478 B7R0.10 C/C=C(\C)/C(=O)CC 1458a_100020587367_100000210202 [1,0,1,0,0,0|0,0,2]=4 479 B7R0.10 C=CC(C)C(=O)CC 1458a_100011216780_100000210202 [1,0,1,0,0,0|0,0,2]=4 480 B7R0.10 CCC(=O)C(=O)NC 1458a_100011218921_100000210202 [1,0,1,0,0,0|1,0,1]=4 481 B7R0.4 C/C=C/C=CC(=O)C 1458a_100000185730_200000210301 [1,0,1,0,0,0|1,0,0]=3 482 B7R0.4 C/C=C/C=CC(=O)[13CH3] 1458a_100000185730_200025704644 [1,0,1,0,0,0|1,0,0]=3 483 B7R0.4 C=CCNNC(=O)C 22a_100020588587_100000070787 [1,0,1,0,0,0|1,0,1]=4 484 B7R1.1 C=Cc1ccco1 271570a_100011290941_100009814098 [2,0,0,0,0,0|1,0,1]=4 485 B7R1.1 C=Cc1cccs1 271570a_100011290941_100011215356 [2,0,0,0,0,0|1,0,1]=4 486 B7R1.1 C=Cc1ncc[nH]1 271570a_100011290941_100025796157 [2,0,0,0,0,0|1,0,1]=4 487 B7R1.1 CSc1ccco1 62a_100009814098_200000210301 [2,0,0,0,0,0|2,0,0]=4 488 B7R1.1 CSc1ccco1 62a_200000210301_100009814098 [2,0,0,0,0,0|2,0,0]=4 489 B7R1.1 CSc1cccs1 62a_100011215356_200000210301 [2,0,0,0,0,0|2,0,0]=4 490 B7R1.1 CSc1cccs1 62a_200000210301_100011215356 [2,0,0,0,0,0|2,0,0]=4 491 B7R1.1 CSc1ncc[nH]1 62a_100025796157_200000210301 [2,0,0,0,0,0|2,0,0]=4 492 B7R1.1 CSc1ncc[nH]1 62a_200000210301_100025796157 [2,0,0,0,0,0|2,0,0]=4 493 B7R1.1 [13CH3]Sc1ccco1 62a_100009814098_200025704644 [2,0,0,0,0,0|2,0,0]=4 494 B7R1.1 [13CH3]Sc1ccco1 62a_200025704644_100009814098 [2,0,0,0,0,0|2,0,0]=4 495 B7R1.1 [13CH3]Sc1cccs1 62a_100011215356_200025704644 [2,0,0,0,0,0|2,0,0]=4 496 B7R1.1 [13CH3]Sc1cccs1 62a_200025704644_100011215356 [2,0,0,0,0,0|2,0,0]=4 497 B7R1.1 [13CH3]Sc1ncc[nH]1 62a_100025796157_200025704644 [2,0,0,0,0,0|2,0,0]=4 498 B7R1.1 [13CH3]Sc1ncc[nH]1 62a_200025704644_100025796157 [2,0,0,0,0,0|2,0,0]=4 499 B9R0.8 C=CCNC(=O)C(=O)NC 1626a_100020586998_100011218921 [0,1,1,0,0,0|2,0,0]=4 500 B9R0.8 C=CCNC(=O)C(=O)NC 240690a_100020586998_100011218921 [0,1,1,0,0,0|2,0,0]=4 501 B9R0.8 C=CCNC(=O)C(=O)NC 527a_100020586998_100011218921 [0,1,1,0,0,0|2,0,0]=4 502 B9R0.8 C=CCNC(=O)C(=O)OC 1626a_100020586998_100000024059 [0,1,1,0,0,0|2,0,0]=4 503 B9R0.8 C=CCNC(=O)C(=O)OC 240690a_100020586998_100000024059 [0,1,1,0,0,0|2,0,0]=4 504 B9R0.8 C=CCNC(=O)C(=O)OC 527a_100020586998_100000024059 [0,1,1,0,0,0|2,0,0]=4 505 B9R0.8 C=CCNC(C)C(=O)CC 2230a_100020586998_100000742827 [0,1,1,0,0,0|0,0,2]=4 506 B9R0.23 C=C(NC(=O)C)C(=O)NC 240690a_100102657272_100000758921 [0,1,1,0,0,0|1,0,1]=4 507 B9R0.27 C=CC(=O)C(C)C(=O)CC 1458a_100000185746_100000742827 [0,1,1,0,0,0|1,0,1]=4 508 B9R0.35 C=CCC(=O)C(=O)NCC 1458a_200011297158_100000210623 [0,1,1,0,0,0|1,0,1]=4 509 B9R0.1 C=C(C)C=NNC(=O)CC 4a_100000183195_100000210575 [0,1,1,0,0,0|1,0,1]=4 510 B9R0.1 C=C(C)CNNC(=O)CC 22a_100000729518_100000210414 [0,1,1,0,0,0|1,0,1]=4 511 B9R0.5 C#CCC(=O)C=C/C=C/C 1458a_100000185730_100000184674 [0,1,1,0,0,0|1,0,1]=4 512 B9R0.5 C/C=C/C=CC(=O)CC#N 1458a_100000185730_100011214920 [0,1,1,0,0,0|1,0,1]=4 513 B9R0.5 C/C=C/C=CC(=O)CCC 1458a_100000185730_100000210303 [0,1,1,0,0,0|1,0,0]=3 514 B9R0.5 C/C=C/C=CC(=O)CCF 1458a_100000185730_100011217306 [0,1,1,0,0,0|1,0,0]=3 515 B9R0.5 C/C=C/C=CC(=O)CCO 1458a_100000185730_100000211926 [0,1,1,0,0,0|1,0,0]=3 516 B9R0.5 C/C=C/C=CC(=O)NCC 11a_100015525214_100000185730 [0,1,1,0,0,0|1,0,0]=3 517 B9R0.5 C/C=C/C=CC(=O)NCC 240690a_100015525214_100000185730 [0,1,1,0,0,0|1,0,0]=3 518 B9R0.5 C/C=C/C=CC(=O)NNC 22a_100016993582_100000185730 [0,1,1,0,0,0|2,0,0]=4 519 B9R0.5 C=CCC(=O)C=C/C=C/C 1458a_100000185730_100000210623 [0,1,1,0,0,0|1,0,1]=4 520 B9R0.5 C=CCNCC(=O)CCC 2230a_100020586998_100000747444 [0,1,1,0,0,0|0,0,2]=4 521 B9R0.5 C=CCNCC(=O)NCC 2230a_100016988866_100000210623 [0,1,1,0,0,0|0,0,2]=4 522 B9R0.5 C=CCNCC(=O)NCC 2230a_100020586998_100000183381 [0,1,1,0,0,0|0,0,2]=4 523 B9R0.5 C=CCNCC(=O)OCC 2230a_100020586998_100000188475 [0,1,1,0,0,0|0,0,2]=4 524 B9R0.5 C=CCNNC(=O)CCC 22a_100020588587_100000211992 [0,1,1,0,0,0|1,0,1]=4 525 B9R0.5 C=CCNNC(=O)CCO 22a_100020588587_100011216618 [0,1,1,0,0,0|1,0,1]=4 526 B9R0.5 C=CCNNC(=O)COC 22a_100020588587_100000210968 [0,1,1,0,0,0|1,0,1]=4 527 B9R0.5 C=CCNNC(=O)CSC 22a_100020588587_100000184570 [0,1,1,0,0,0|1,0,1]=4 528 B9R0.5 C=CCNNC(=O)NCC 273464a_100015525214_100020588587 [0,1,1,0,0,0|1,0,1]=4 529 B9R0.5 C=CCNNC(=O)NCC 512a_100015525214_100020588587 [0,1,1,0,0,0|1,0,1]=4 530 B9R0.5 C=CCNNC(=O)NCC 512a_100020588587_100015525214 [0,1,1,0,0,0|1,0,1]=4 531 B9R0.24 C=CC(=NNC(=O)CC)C 4a_100000183195_200015361842 [0,1,1,0,0,0|1,0,1]=4 532 B9R0.24 C=CC(=O)NCC(=O)CC 1458a_200011222540_100000210202 [0,1,1,0,0,0|0,0,1]=3 533 B9R0.24 C=CC(=O)NCC(=O)CF 1458a_200011222540_100015361967 [0,1,1,0,0,0|1,0,1]=4 534 B9R0.24 C=CC(=O)NCC(=O)NC 11a_106832991635_200011222540 [0,1,1,0,0,0|1,0,1]=4 535 B9R0.24 C=CC(=O)NCC(=O)NC 240690a_100000693194_200121576911 [0,1,1,0,0,0|1,0,1]=4 536 B9R0.24 C=CC(=O)NCC(=O)NC 240690a_100102657272_200011222540 [0,1,1,0,0,0|1,0,1]=4 537 B9R0.24 C=CC(=O)NCC(=O)NC 527a_100102657272_200011222540 [0,1,1,0,0,0|1,0,1]=4 538 B9R0.24 C=CC(=O)NNC(=O)CC 22a_100000183195_100000185746 [0,1,1,0,0,0|1,0,0]=3 539 B9R0.24 CC=C(C)C=CC(=O)CC 1458a_100000692105_100000210202 [0,1,1,0,0,0|1,0,0]=3 540 B9R0.24 CC=C(C)C=CC(=O)CF 1458a_100000692105_100015361967 [0,1,1,0,0,0|2,0,0]=4 541 B9R0.24 CC=C(C)C=CC(=O)NC 1626a_100102657272_100000692105 [0,1,1,0,0,0|2,0,0]=4 542 B9R0.24 CCC(=O)C=CC(=O)NC 1458a_100016259477_100000210202 [0,1,1,0,0,0|2,0,0]=4 543 B9R0.34 C=CCN(C)CC(=O)CC 269982a_100000225617_100000747405 [0,1,1,0,0,0|0,0,2]=4 544 B9R0.34 CC=CC(=O)CC(=O)CC 1458a_100000210699_100000747405 [0,1,1,0,0,0|1,0,1]=4 545 B9R0.34 CCC(=O)CC(=O)C=CBr 1458a_100016273825_100000747405 [0,1,1,0,0,0|1,0,1]=4 546 B9R0.34 CCC(=O)CC(=O)C=CCl 1458a_200016279998_100000747405 [0,1,1,0,0,0|1,0,1]=4 547 B9R0.34 CCC(=O)CC(=O)C=CI 1458a_100016256311_100000747405 [0,1,1,0,0,0|1,0,1]=4 548 B9R0.47 C/C=C/C=CC(=O)C(C)C 1458a_100000185730_100000210206 [0,1,1,0,0,0|1,0,0]=3 549 B9R0.47 C/C=C/C=CC(=O)N(C)C 11a_100102631434_100000185730 [0,1,1,0,0,0|2,0,0]=4 550 B9R0.47 C/C=C/C=CC(=O)N(C)C 1626a_100102631434_100000185730 [0,1,1,0,0,0|2,0,0]=4 551 B9R0.47 C/C=C/C=CC(=O)N(C)C 240690a_100102631434_100000185730 [0,1,1,0,0,0|2,0,0]=4 552 B9R0.47 C=CCNCC(=O)C(C)C 2230a_100020586998_100000753385 [0,1,1,0,0,0|0,0,2]=4 553 B9R0.47 C=CCNNC(=O)C(C)C 22a_100020588587_100000210198 [0,1,1,0,0,0|1,0,1]=4 554 B9R0.47 C=CCNNC(=O)C(C)F 22a_100020588587_100000062450 [0,1,1,0,0,0|1,0,1]=4 555 B9R0.47 C=CCNNC(=O)[C@@H](C)O 22a_100020588587_100000717761 [0,1,1,0,0,0|1,0,1]=4 556 B9R0.47 C=CCNNC(=O)[C@H](C)O 22a_100020588587_217856618621 [0,1,1,0,0,0|1,0,1]=4 557 B9R1.35 C=C(C)c1cc(cs1)C 271570a_100000694244_100009876951 [1,1,0,0,0,0|2,0,0]=4 558 B9R1.35 C=C(C)c1cc(n[nH]1)Br 271570a_100000694244_100160470719 [1,1,0,0,0,0|2,0,0]=4 559 B9R1.35 C=C(C)c1ccc(s1)Br 271570a_100000694244_100010197418 [1,1,0,0,0,0|2,0,0]=4 560 B9R1.35 C=C(C)c1ccc(s1)C 271570a_100000694244_100000761539 [1,1,0,0,0,0|2,0,0]=4 561 B9R1.35 C=C(C)c1nc(c[nH]1)C 271570a_100000694244_100161115468 [1,1,0,0,0,0|2,0,0]=4 562 B9R1.35 CC(=O)c1cc(cs1)O 271570a_203496583355_100000718618 [1,1,0,0,0,0|1,0,0]=3 563 B9R1.35 CC(=O)c1ccc([nH]1)O 271570a_203496583355_200010494458 [1,1,0,0,0,0|0,0,0]=2 564 B9R1.35 CC(=O)c1ccc(o1)O 271570a_203496583355_100000229899 [1,1,0,0,0,0|1,0,0]=3 565 B9R1.35 CC(=O)c1ccc(s1)O 271570a_203496583355_100000183331 [1,1,0,0,0,0|1,0,0]=3 566 B9R1.35 CC(=O)c1cnc(s1)O 271570a_203496583355_200010173910 [1,1,0,0,0,0|2,0,0]=4 567 B9R1.35 CC(=O)c1csc(c1)O 271570a_203496583355_200012344231 [1,1,0,0,0,0|2,0,0]=4 568 B9R1.35 CC(=O)c1nc(cs1)O 271570a_203496583355_100010231720 [1,1,0,0,0,0|1,0,1]=4 569 B9R1.35 CC(=O)c1ncc(s1)O 271570a_203496583355_100000693680 [1,1,0,0,0,0|1,0,1]=4 570 B9R1.35 CC(=O)n1cc(cn1)O 271570a_203496583355_100010205889 [1,1,0,0,0,0|1,0,1]=4 571 B9R1.35 NC(=O)c1cc(c[nH]1)O 271570a_203496583355_100000229580 [1,1,0,0,0,0|1,0,0]=3 572 B9R1.35 NC(=O)c1cc(co1)O 271570a_203496583355_200009817131 [1,1,0,0,0,0|2,0,0]=4 573 B9R1.35 NC(=O)c1cc(cs1)O 271570a_203496583355_100009812991 [1,1,0,0,0,0|2,0,0]=4 574 B9R1.35 NC(=O)c1ccc(s1)O 271570a_203496583355_100000162267 [1,1,0,0,0,0|2,0,0]=4 575 B9R1.41 C=C(C)c1[nH]cnc1Cl 271570a_100000694244_100010200774 [1,1,0,0,0,0|2,0,0]=4 576 B9R1.41 C=C(C)c1ccnn1C 271570a_100000694244_100000688441 [1,1,0,0,0,0|2,0,0]=4 577 B9R1.41 C=C(C)c1cncn1C 271570a_100000694244_100009814087 [1,1,0,0,0,0|2,0,0]=4 578 B9R1.41 C=C(C)c1nccn1C 271570a_100000694244_100000707724 [1,1,0,0,0,0|2,0,0]=4 579 B9R1.41 C=C(C)c1sccc1Br 271570a_100000694244_100012361411 [1,1,0,0,0,0|2,0,0]=4 580 B9R1.41 C=C(C)c1sccc1C 271570a_100000694244_100000742657 [1,1,0,0,0,0|2,0,0]=4 581 B9R1.41 CC(=O)c1sccc1O 271570a_203496583355_100000738688 [1,1,0,0,0,0|1,0,0]=3 582 B9R1.41 CC(=O)c1scnc1O 271570a_203496583355_200010339033 [1,1,0,0,0,0|2,0,0]=4 583 B9R1.41 NC(=O)c1[nH]ncc1O 271570a_203496583355_200009820792 [1,1,0,0,0,0|2,0,0]=4 584 B9R1.7 CC=Cc1cc(cs1)C 271570a_100016259895_100009876951 [1,1,0,0,0,0|1,0,1]=4 585 B9R1.7 CC=Cc1cc(n[nH]1)Br 271570a_100016259895_100160470719 [1,1,0,0,0,0|1,0,1]=4 586 B9R1.7 CC=Cc1ccc(s1)Br 271570a_100016259895_100010197418 [1,1,0,0,0,0|1,0,1]=4 587 B9R1.7 CC=Cc1ccc(s1)C 271570a_100016259895_100000761539 [1,1,0,0,0,0|1,0,1]=4 588 B9R1.7 CC=Cc1nc(c[nH]1)C 271570a_100016259895_100161115468 [1,1,0,0,0,0|1,0,1]=4 589 B9R1.7 CCCc1ccc(s1)O 271570a_203496583355_100010157708 [1,1,0,0,0,0|1,0,1]=4 590 B9R1.7 CCCc1ncc([nH]1)O 271570a_203496583355_200009820212 [1,1,0,0,0,0|1,0,1]=4 591 B9R1.7 CCSc1cc(cs1)C 62a_100000210202_100009876951 [1,1,0,0,0,0|2,0,0]=4 592 B9R1.7 CCSc1cc(cs1)C 62a_100009876951_100000210202 [1,1,0,0,0,0|2,0,0]=4 593 B9R1.7 CCSc1cc(n[nH]1)Br 62a_100000210202_100160470719 [1,1,0,0,0,0|2,0,0]=4 594 B9R1.7 CCSc1cc(n[nH]1)Br 62a_100160470719_100000210202 [1,1,0,0,0,0|2,0,0]=4 595 B9R1.7 CCSc1ccc(s1)Br 62a_100000210202_100010197418 [1,1,0,0,0,0|2,0,0]=4 596 B9R1.7 CCSc1ccc(s1)Br 62a_100010197418_100000210202 [1,1,0,0,0,0|2,0,0]=4 597 B9R1.7 CCSc1ccc(s1)C 62a_100000031368_100000210202 [1,1,0,0,0,0|2,0,0]=4 598 B9R1.7 CCSc1ccc(s1)C 62a_100000210202_100000031368 [1,1,0,0,0,0|2,0,0]=4 599 B9R1.7 CCSc1nc(c[nH]1)C 62a_100000210202_100161115468 [1,1,0,0,0,0|2,0,0]=4 600 B9R1.7 CCSc1nc(c[nH]1)C 62a_100161115468_100000210202 [1,1,0,0,0,0|2,0,0]=4 601 B9R1.7 CNCc1cc(c[nH]1)Br 270004a_106832991635_100000720742 [1,1,0,0,0,0|1,0,1]=4 602 B9R1.12 CCCCc1ccco1 271570a_100020621405_100009814098 [1,1,0,0,0,0|1,0,1]=4 603 B9R1.12 CCCCc1cccs1 271570a_100020621405_100011215356 [1,1,0,0,0,0|1,0,1]=4 604 B9R1.12 CCCCc1ncc[nH]1 271570a_100020621405_100025796157 [1,1,0,0,0,0|1,0,1]=4 605 B9R1.12 CCCSc1ccco1 62a_100000210303_100009814098 [1,1,0,0,0,0|1,0,1]=4 606 B9R1.12 CCCSc1ccco1 62a_100009814098_100000210303 [1,1,0,0,0,0|1,0,1]=4 607 B9R1.12 CCCSc1cccs1 62a_100000210303_100011215356 [1,1,0,0,0,0|1,0,1]=4 608 B9R1.12 CCCSc1cccs1 62a_100011215356_100000210303 [1,1,0,0,0,0|1,0,1]=4 609 B9R1.12 CCCSc1ncc[nH]1 62a_100000210303_100025796157 [1,1,0,0,0,0|1,0,1]=4 610 B9R1.12 CCCSc1ncc[nH]1 62a_100025796157_100000210303 [1,1,0,0,0,0|1,0,1]=4 611 B9R1.12 CCNCc1ccco1 207a_100015525214_100000186105 [1,1,0,0,0,0|1,0,1]=4 612 B9R1.12 CCNCc1ccco1 2230a_100000185738_100000210202 [1,1,0,0,0,0|1,0,1]=4 613 B9R1.12 CCNCc1ccco1 270004a_100015525214_100000186105 [1,1,0,0,0,0|1,0,1]=4 614 B9R1.12 CCNCc1ccco1 34a_100000185738_100000210202 [1,1,0,0,0,0|1,0,1]=4 615 B9R1.12 CCNCc1cccs1 207a_100015525214_100000209959 [1,1,0,0,0,0|1,0,1]=4 616 B9R1.12 CCNCc1cccs1 2230a_100000211653_100000210202 [1,1,0,0,0,0|1,0,1]=4 617 B9R1.12 CCNCc1cccs1 270004a_100015525214_100000209959 [1,1,0,0,0,0|1,0,1]=4 618 B9R1.12 CCNCc1ccn[nH]1 2230a_100015525214_100000728653 [1,1,0,0,0,0|1,0,1]=4 619 B9R1.12 CCNCc1cnc[nH]1 207a_100015525214_100000742939 [1,1,0,0,0,0|1,0,1]=4 620 B9R1.12 CCNCc1ncc[nH]1 207a_100015525214_100000743867 [1,1,0,0,0,0|1,0,1]=4 621 B9R1.12 CCNCc1ncc[nH]1 2230a_100015525214_100016991755 [1,1,0,0,0,0|1,0,1]=4 622 B9R1.12 CCOCc1ccco1 34a_100000210059_100000210202 [1,1,0,0,0,0|1,0,1]=4 623 B9R1.12 CCOCc1cccs1 34a_100000211240_100000210202 [1,1,0,0,0,0|1,0,1]=4 624 B9R1.12 CCOCc1ccn[nH]1 34a_100121572206_100000728653 [1,1,0,0,0,0|1,0,1]=4 625 B9R1.12 CCOCc1ncc[nH]1 34a_100121572206_100016991755 [1,1,0,0,0,0|1,0,1]=4 626 B9R1.12 CCSCc1ccn[nH]1 62a_100000210202_100000728653 [1,1,0,0,0,0|1,0,1]=4 627 B9R1.12 CCSCc1ccn[nH]1 62a_100000728653_100000210202 [1,1,0,0,0,0|1,0,1]=4 628 B9R1.12 CCSCc1ncc[nH]1 62a_100000210202_100016991755 [1,1,0,0,0,0|1,0,1]=4 629 B9R1.12 CCSCc1ncc[nH]1 62a_100016991755_100000210202 [1,1,0,0,0,0|1,0,1]=4 630 B9R1.12 CNCCc1ccco1 2230a_100000694680_200000210301 [1,1,0,0,0,0|1,0,1]=4 631 B9R1.12 CNCCc1ccco1 34a_100000694680_200000210301 [1,1,0,0,0,0|1,0,1]=4 632 B9R1.12 CNCCc1cccs1 2230a_100000203755_200000210301 [1,1,0,0,0,0|1,0,1]=4 633 B9R1.12 CNCCc1cccs1 2230a_106832991635_100000748579 [1,1,0,0,0,0|1,0,1]=4 634 B9R1.12 CNCCc1cccs1 34a_100000203755_200000210301 [1,1,0,0,0,0|1,0,1]=4 635 B9R1.12 CNCCc1cccs1 34a_100102657272_100000748579 [1,1,0,0,0,0|1,0,1]=4 636 B9R1.12 CNCCc1cccs1 7a_106832991635_100000748579 [1,1,0,0,0,0|1,0,1]=4 637 B9R1.12 COCCc1cccs1 34a_100011216825_200000210301 [1,1,0,0,0,0|1,0,1]=4 638 B9R1.12 COCCc1cccs1 34a_100138415774_100000748579 [1,1,0,0,0,0|1,0,1]=4 639 B9R1.12 COCCc1cccs1 7a_100011216825_200000210301 [1,1,0,0,0,0|1,0,1]=4 640 B9R1.12 COCCc1ncc[nH]1 34a_103549771195_200000210301 [1,1,0,0,0,0|1,0,1]=4 641 B9R1.12 COCSc1ccco1 62a_100000766300_100009814098 [1,1,0,0,0,0|2,0,0]=4 642 B9R1.12 COCSc1ccco1 62a_100009814098_100000766300 [1,1,0,0,0,0|2,0,0]=4 643 B9R1.12 COCSc1cccs1 62a_100000766300_100011215356 [1,1,0,0,0,0|2,0,0]=4 644 B9R1.12 COCSc1cccs1 62a_100011215356_100000766300 [1,1,0,0,0,0|2,0,0]=4 645 B9R1.12 COCSc1ncc[nH]1 62a_100000766300_100025796157 [1,1,0,0,0,0|2,0,0]=4 646 B9R1.12 COCSc1ncc[nH]1 62a_100025796157_100000766300 [1,1,0,0,0,0|2,0,0]=4 647 B9R1.12 CSCCc1cccs1 62a_100000748579_200000210301 [1,1,0,0,0,0|1,0,1]=4 648 B9R1.12 CSCCc1cccs1 62a_200000210301_100000748579 [1,1,0,0,0,0|1,0,1]=4 649 B9R1.12 CSCSc1ccco1 62a_100009814098_100011218213 [1,1,0,0,0,0|2,0,0]=4 650 B9R1.12 CSCSc1ccco1 62a_100011218213_100009814098 [1,1,0,0,0,0|2,0,0]=4 651 B9R1.12 CSCSc1cccs1 62a_100011215356_100011218213 [1,1,0,0,0,0|2,0,0]=4 652 B9R1.12 CSCSc1cccs1 62a_100011218213_100011215356 [1,1,0,0,0,0|2,0,0]=4 653 B9R1.12 CSCSc1ncc[nH]1 62a_100011218213_100025796157 [1,1,0,0,0,0|2,0,0]=4 654 B9R1.12 CSCSc1ncc[nH]1 62a_100025796157_100011218213 [1,1,0,0,0,0|2,0,0]=4 655 B9R1.12 FCCSc1ccco1 62a_100009814098_100011217306 [1,1,0,0,0,0|2,0,0]=4 656 B9R1.12 FCCSc1ccco1 62a_100011217306_100009814098 [1,1,0,0,0,0|2,0,0]=4 657 B9R1.12 FCCSc1cccs1 62a_100011215356_100011217306 [1,1,0,0,0,0|2,0,0]=4 658 B9R1.12 FCCSc1cccs1 62a_100011217306_100011215356 [1,1,0,0,0,0|2,0,0]=4 659 B9R1.12 FCCSc1ncc[nH]1 62a_100011217306_100025796157 [1,1,0,0,0,0|2,0,0]=4 660 B9R1.12 FCCSc1ncc[nH]1 62a_100025796157_100011217306 [1,1,0,0,0,0|2,0,0]=4 661 B9R1.12 OCCSc1ccco1 62a_100000211926_100009814098 [1,1,0,0,0,0|2,0,0]=4 662 B9R1.12 OCCSc1ccco1 62a_100009814098_100000211926 [1,1,0,0,0,0|2,0,0]=4 663 B9R1.12 OCCSc1cccs1 62a_100000211926_100011215356 [1,1,0,0,0,0|2,0,0]=4 664 B9R1.12 OCCSc1cccs1 62a_100011215356_100000211926 [1,1,0,0,0,0|2,0,0]=4 665 B9R1.12 OCCSc1ncc[nH]1 62a_100000211926_100025796157 [1,1,0,0,0,0|2,0,0]=4 666 B9R1.12 OCCSc1ncc[nH]1 62a_100025796157_100000211926 [1,1,0,0,0,0|2,0,0]=4 667 B9R1.12 [13CH3]NCCc1ccco1 2230a_100000694680_200025704644 [1,1,0,0,0,0|1,0,1]=4 668 B9R1.12 [13CH3]NCCc1ccco1 34a_100000694680_200025704644 [1,1,0,0,0,0|1,0,1]=4 669 B9R1.12 [13CH3]NCCc1cccs1 2230a_100000203755_200025704644 [1,1,0,0,0,0|1,0,1]=4 670 B9R1.12 [13CH3]NCCc1cccs1 34a_100000203755_200025704644 [1,1,0,0,0,0|1,0,1]=4 671 B9R1.12 [13CH3]OCCc1cccs1 34a_100011216825_200025704644 [1,1,0,0,0,0|1,0,1]=4 672 B9R1.12 [13CH3]OCCc1cccs1 7a_100011216825_200025704644 [1,1,0,0,0,0|1,0,1]=4 673 B9R1.12 [13CH3]OCCc1ncc[nH]1 34a_103549771195_200025704644 [1,1,0,0,0,0|1,0,1]=4 674 B9R1.12 [13CH3]SCCc1cccs1 62a_100000748579_200025704644 [1,1,0,0,0,0|1,0,1]=4 675 B9R1.12 [13CH3]SCCc1cccs1 62a_200025704644_100000748579 [1,1,0,0,0,0|1,0,1]=4 676 B9R1.13 CC(=Cc1ccco1)C 271570a_100102525489_100009814098 [1,1,0,0,0,0|1,0,1]=4 677 B9R1.13 CC(=Cc1cccs1)C 271570a_100102525489_100011215356 [1,1,0,0,0,0|1,0,1]=4 678 B9R1.13 CC(=Cc1ncc[nH]1)C 271570a_100102525489_100025796157 [1,1,0,0,0,0|1,0,1]=4 679 B9R1.13 CC(=O)Cc1ccc[nH]1 1458a_100000238377_200000210301 [1,1,0,0,0,0|0,0,2]=4 680 B9R1.13 CC(C)Sc1ccco1 62a_100000210206_100009814098 [1,1,0,0,0,0|2,0,0]=4 681 B9R1.13 CC(C)Sc1ccco1 62a_100009814098_100000210206 [1,1,0,0,0,0|2,0,0]=4 682 B9R1.13 CC(C)Sc1cccs1 62a_100000210206_100011215356 [1,1,0,0,0,0|2,0,0]=4 683 B9R1.13 CC(C)Sc1cccs1 62a_100011215356_100000210206 [1,1,0,0,0,0|2,0,0]=4 684 B9R1.13 CC(C)Sc1ncc[nH]1 62a_100000210206_100025796157 [1,1,0,0,0,0|2,0,0]=4 685 B9R1.13 CC(C)Sc1ncc[nH]1 62a_100025796157_100000210206 [1,1,0,0,0,0|2,0,0]=4 686 B9R1.13 [13CH3]C(=O)Cc1ccc[nH]1 1458a_100000238377_200025704644 [1,1,0,0,0,0|0,0,2]=4 687 B9R1.33 CC=Cc1[nH]cnc1Cl 271570a_100016259895_100010200774 [1,1,0,0,0,0|1,0,1]=4 688 B9R1.33 CC=Cc1ccnn1C 271570a_100016259895_100000688441 [1,1,0,0,0,0|1,0,1]=4 689 B9R1.33 CC=Cc1cncn1C 271570a_100016259895_100009814087 [1,1,0,0,0,0|1,0,1]=4 690 B9R1.33 CC=Cc1nccn1C 271570a_100016259895_100000707724 [1,1,0,0,0,0|1,0,1]=4 691 B9R1.33 CC=Cc1sccc1Br 271570a_100016259895_100012361411 [1,1,0,0,0,0|1,0,1]=4 692 B9R1.33 CC=Cc1sccc1C 271570a_100016259895_100000742657 [1,1,0,0,0,0|1,0,1]=4 693 B9R1.33 CCOc1ccnn1C 34a_100020632926_100000210202 [1,1,0,0,0,0|2,0,0]=4 694 B9R1.33 CCSc1[nH]cnc1Cl 62a_100000210202_100010200774 [1,1,0,0,0,0|2,0,0]=4 695 B9R1.33 CCSc1[nH]cnc1Cl 62a_100010200774_100000210202 [1,1,0,0,0,0|2,0,0]=4 696 B9R1.33 CCSc1ccnn1C 62a_100000210202_100000688441 [1,1,0,0,0,0|2,0,0]=4 697 B9R1.33 CCSc1ccnn1C 62a_100000688441_100000210202 [1,1,0,0,0,0|2,0,0]=4 698 B9R1.33 CCSc1cncn1C 62a_100000210202_100009814087 [1,1,0,0,0,0|2,0,0]=4 699 B9R1.33 CCSc1cncn1C 62a_100009814087_100000210202 [1,1,0,0,0,0|2,0,0]=4 700 B9R1.33 CCSc1nccn1C 62a_100000210202_100000707724 [1,1,0,0,0,0|2,0,0]=4 701 B9R1.33 CCSc1nccn1C 62a_100000707724_100000210202 [1,1,0,0,0,0|2,0,0]=4 702 B9R1.33 CCSc1sccc1Br 62a_100000210202_100012361411 [1,1,0,0,0,0|2,0,0]=4 703 B9R1.33 CCSc1sccc1Br 62a_100012361411_100000210202 [1,1,0,0,0,0|2,0,0]=4 704 B9R1.33 CCSc1sccc1C 62a_100000210202_100010247149 [1,1,0,0,0,0|2,0,0]=4 705 B9R1.33 CCSc1sccc1C 62a_100010247149_100000210202 [1,1,0,0,0,0|2,0,0]=4 706 B9R1.33 CNCc1cccn1C 270004a_106832991635_100000211633 [1,1,0,0,0,0|1,0,1]=4 707 B9R1.33 CNCc1cccn1C 34a_100011219357_200000210301 [1,1,0,0,0,0|1,0,1]=4 708 B9R1.33 Cn1cccc1CN[13CH3] 34a_100011219357_200025704644 [1,1,0,0,0,0|1,0,1]=4 709 B9R1.82 CCC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_100000210202 [0,1,0,0,1,0|0,0,2]=4 710 B11R1.16 C#CCC(=O)c1ccccc1 1458a_100000185807_100000184674 [0,1,0,0,0,1|1,0,1]=4 711 B11R1.16 C=CCC(=O)c1ccccc1 1458a_100000185807_100000210623 [0,1,0,0,0,1|1,0,1]=4 712 B11R1.16 CCCC(=O)c1ccccc1 1458a_100000185807_100000210303 [0,1,0,0,0,1|1,0,0]=3 713 B11R1.16 CCNC(=O)c1ccccc1 11a_100015525214_100000185807 [0,1,0,0,0,1|1,0,0]=3 714 B11R1.16 CCNC(=O)c1ccccc1 240690a_100015525214_100000185807 [0,1,0,0,0,1|1,0,0]=3 715 B11R1.16 CCNC(=O)c1ccccc1 527a_100015525214_100000185807 [0,1,0,0,0,1|1,0,0]=3 716 B11R1.16 CNCC(=O)c1ccccc1 7a_106832991635_100000211460 [0,1,0,0,0,1|1,0,0]=3 717 B11R1.16 CNCC(=O)c1ccccn1 34a_100102657272_100000027445 [0,1,0,0,0,1|0,0,1]=3 718 B11R1.16 CNCC(=O)c1ccccn1 7a_106832991635_100000027445 [0,1,0,0,0,1|0,0,1]=3 719 B11R1.16 CNCC(=O)c1ccncc1 7a_106832991635_100015248511 [0,1,0,0,0,1|1,0,0]=3 720 B11R1.16 CNNC(=O)c1ccccc1 22a_100016993582_100000185807 [0,1,0,0,0,1|2,0,0]=4 721 B11R1.16 COCC(=O)c1ccccn1 34a_100138415774_100000027445 [0,1,0,0,0,1|0,0,1]=3 722 B11R1.16 CSCC(=O)c1ccccc1 62a_100000211460_200000210301 [0,1,0,0,0,1|1,0,0]=3 723 B11R1.16 CSCC(=O)c1ccccc1 62a_200000210301_100000211460 [0,1,0,0,0,1|1,0,0]=3 724 B11R1.16 CSCC(=O)c1ccccn1 62a_100000027445_200000210301 [0,1,0,0,0,1|0,0,1]=3 725 B11R1.16 CSCC(=O)c1ccccn1 62a_200000210301_100000027445 [0,1,0,0,0,1|0,0,1]=3 726 B11R1.16 CSCC(=O)c1cccnc1 62a_100000757877_200000210301 [0,1,0,0,0,1|0,0,1]=3 727 B11R1.16 CSCC(=O)c1cccnc1 62a_200000210301_100000757877 [0,1,0,0,0,1|0,0,1]=3 728 B11R1.16 CSCC(=O)c1ccncc1 62a_100000027454_200000210301 [0,1,0,0,0,1|1,0,0]=3 729 B11R1.16 CSCC(=O)c1ccncc1 62a_200000210301_100000027454 [0,1,0,0,0,1|1,0,0]=3 730 B11R1.16 CSCC(=O)c1ncccn1 62a_100020636365_200000210301 [0,1,0,0,0,1|0,0,1]=3 731 B11R1.16 CSCC(=O)c1ncccn1 62a_200000210301_100020636365 [0,1,0,0,0,1|0,0,1]=3 732 B11R1.16 CSCS(=O)c1ccccc1 62a_200000210301_100000031784 [0,1,0,0,0,1|2,0,0]=4 733 B11R1.16 N#CCC(=O)c1ccccc1 1458a_100000185807_100011214920 [0,1,0,0,0,1|1,0,1]=4 734 B11R1.16 O=C(CCF)c1ccccc1 1458a_100000185807_100011217306 [0,1,0,0,0,1|1,0,0]=3 735 B11R1.16 O=C(CCO)c1ccccc1 1458a_100000185807_100000211926 [0,1,0,0,0,1|1,0,0]=3 736 B11R1.16 [13CH3]SCC(=O)c1ccccc1 62a_100000211460_200025704644 [0,1,0,0,0,1|1,0,0]=3 737 B11R1.16 [13CH3]SCC(=O)c1ccccc1 62a_200025704644_100000211460 [0,1,0,0,0,1|1,0,0]=3 738 B11R1.16 [13CH3]SCC(=O)c1ccccn1 62a_100000027445_200025704644 [0,1,0,0,0,1|0,0,1]=3 739 B11R1.16 [13CH3]SCC(=O)c1ccccn1 62a_200025704644_100000027445 [0,1,0,0,0,1|0,0,1]=3 740 B11R1.16 [13CH3]SCC(=O)c1cccnc1 62a_100000757877_200025704644 [0,1,0,0,0,1|0,0,1]=3 741 B11R1.16 [13CH3]SCC(=O)c1cccnc1 62a_200025704644_100000757877 [0,1,0,0,0,1|0,0,1]=3 742 B11R1.16 [13CH3]SCC(=O)c1ccncc1 62a_100000027454_200025704644 [0,1,0,0,0,1|1,0,0]=3 743 B11R1.16 [13CH3]SCC(=O)c1ccncc1 62a_200025704644_100000027454 [0,1,0,0,0,1|1,0,0]=3 744 B11R1.16 [13CH3]SCC(=O)c1ncccn1 62a_100020636365_200025704644 [0,1,0,0,0,1|0,0,1]=3 745 B11R1.16 [13CH3]SCC(=O)c1ncccn1 62a_200025704644_100020636365 [0,1,0,0,0,1|0,0,1]=3 746 B11R1.16 [13CH3]SCS(=O)c1ccccc1 62a_200025704644_100000031784 [0,1,0,0,0,1|2,0,0]=4 747 B11R1.22 CCC(=O)C1=NNC(=O)CC1 1458a_100000183032_100000210202 [0,1,0,0,0,1|0,0,2]=4 748 B11R1.22 CCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000210202 [0,1,0,0,0,1|1,0,0]=3 749 B11R1.22 CCC(=O)c1ccc(cc1)C 1458a_100000188618_100000210202 [0,1,0,0,0,1|1,0,0]=3 750 B11R1.22 CCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000210202 [0,1,0,0,0,1|1,0,0]=3 751 B11R1.22 CCC(=O)c1ccc(cc1)F 1458a_100000187176_100000210202 [0,1,0,0,0,1|1,0,0]=3 752 B11R1.22 CCC(=O)c1ccc(cc1)I 1458a_100000187904_100000210202 [0,1,0,0,0,1|1,0,0]=3 753 B11R1.22 CCC(=O)c1ccc(cc1)O 1458a_100000212099_100000210202 [0,1,0,0,0,1|1,0,0]=3 754 B11R1.22 CCC(=O)c1ccc(cc1)O 271570a_203496583355_100000211647 [0,1,0,0,0,1|1,0,0]=3 755 B11R1.22 CCC(=O)c1ccc(cn1)O 271570a_203496583355_100012351654 [0,1,0,0,0,1|0,0,1]=3 756 B11R1.22 CCC(=O)c1ncc(cn1)O 271570a_203496583355_200010116844 [0,1,0,0,0,1|0,0,1]=3 757 B11R1.22 CNC(=O)c1ccc(cc1)Br 11a_106832991635_100000185839 [0,1,0,0,0,1|2,0,0]=4 758 B11R1.22 CNC(=O)c1ccc(cc1)Br 1626a_100102657272_100000185839 [0,1,0,0,0,1|2,0,0]=4 759 B11R1.22 CNC(=O)c1ccc(cc1)Br 240690a_100102657272_100000185839 [0,1,0,0,0,1|2,0,0]=4 760 B11R1.22 CNC(=O)c1ccc(cc1)Br 527a_100102657272_100000185839 [0,1,0,0,0,1|2,0,0]=4 761 B11R1.22 CNC(=O)c1ccc(cc1)C 11a_106832991635_100000188618 [0,1,0,0,0,1|2,0,0]=4 762 B11R1.22 CNC(=O)c1ccc(cc1)C 1626a_100102657272_100000188618 [0,1,0,0,0,1|2,0,0]=4 763 B11R1.22 CNC(=O)c1ccc(cc1)C 240690a_100102657272_100000188618 [0,1,0,0,0,1|2,0,0]=4 764 B11R1.22 CNC(=O)c1ccc(cc1)C 527a_100102657272_100000188618 [0,1,0,0,0,1|2,0,0]=4 765 B11R1.22 CNC(=O)c1ccc(cc1)Cl 11a_106832991635_100000210187 [0,1,0,0,0,1|2,0,0]=4 766 B11R1.22 CNC(=O)c1ccc(cc1)Cl 1626a_100102657272_100000210187 [0,1,0,0,0,1|2,0,0]=4 767 B11R1.22 CNC(=O)c1ccc(cc1)Cl 240690a_100102657272_100000210187 [0,1,0,0,0,1|2,0,0]=4 768 B11R1.22 CNC(=O)c1ccc(cc1)Cl 527a_100102657272_100000210187 [0,1,0,0,0,1|2,0,0]=4 769 B11R1.22 CNC(=O)c1ccc(cc1)F 11a_106832991635_100000187176 [0,1,0,0,0,1|2,0,0]=4 770 B11R1.22 CNC(=O)c1ccc(cc1)F 1626a_100102657272_100000187176 [0,1,0,0,0,1|2,0,0]=4 771 B11R1.22 CNC(=O)c1ccc(cc1)F 240690a_100102657272_100000187176 [0,1,0,0,0,1|2,0,0]=4 772 B11R1.22 CNC(=O)c1ccc(cc1)F 527a_100102657272_100000187176 [0,1,0,0,0,1|2,0,0]=4 773 B11R1.22 CNC(=O)c1ccc(cc1)I 11a_106832991635_100000187904 [0,1,0,0,0,1|2,0,0]=4 774 B11R1.22 CNC(=O)c1ccc(cc1)I 1626a_100102657272_100000187904 [0,1,0,0,0,1|2,0,0]=4 775 B11R1.22 CNC(=O)c1ccc(cc1)I 240690a_100102657272_100000187904 [0,1,0,0,0,1|2,0,0]=4 776 B11R1.22 CNC(=O)c1ccc(cc1)I 527a_100102657272_100000187904 [0,1,0,0,0,1|2,0,0]=4 777 B11R1.22 CNC(=O)c1ccc(cc1)O 240690a_100102657272_100000212099 [0,1,0,0,0,1|2,0,0]=4 778 B11R1.22 CNC(=O)c1ccc(cc1)O 271570a_203496583355_100000155074 [0,1,0,0,0,1|2,0,0]=4 779 B11R1.22 CNC(=O)c1ccc(cc1)O 527a_100102657272_100000212099 [0,1,0,0,0,1|2,0,0]=4 780 B11R1.22 CNC(=O)c1ccc(cn1)O 271570a_203496583355_100011781262 [0,1,0,0,0,1|1,0,1]=4 781 B11R1.22 CNC(=O)c1ccc(nc1)O 271570a_203496583355_100000159860 [0,1,0,0,0,1|1,0,1]=4 782 B11R1.22 CNC(=O)c1ncc(cn1)O 271570a_203496583355_200010127873 [0,1,0,0,0,1|1,0,1]=4 783 B11R1.22 COC(=O)c1ccc(cc1)O 271570a_203496583355_100000150774 [0,1,0,0,0,1|2,0,0]=4 784 B11R1.22 COC(=O)c1ccc(cn1)O 271570a_203496583355_100000690920 [0,1,0,0,0,1|1,0,1]=4 785 B11R1.22 COC(=O)c1ccc(nc1)O 271570a_203496583355_100000733799 [0,1,0,0,0,1|1,0,1]=4 786 B11R1.22 COC(=O)c1ccc(nn1)O 271570a_203496583355_100009816182 [0,1,0,0,0,1|1,0,1]=4 787 B11R1.22 COC(=O)c1cnc(cn1)O 271570a_203496583355_100010219404 [0,1,0,0,0,1|1,0,1]=4 788 B11R1.22 COC(=O)c1ncc(cn1)O 271570a_203496583355_100000690087 [0,1,0,0,0,1|1,0,1]=4 789 B11R1.22 Cc1ccc(cc1)C(=O)CF 1458a_100000188618_100015361967 [0,1,0,0,0,1|2,0,0]=4 790 B11R1.22 NCC(=O)c1ccc(cc1)O 271570a_203496583355_100000017248 [0,1,0,0,0,1|2,0,0]=4 791 B11R1.22 O=C(CF)c1ccc(cc1)Br 1458a_100000185839_100015361967 [0,1,0,0,0,1|2,0,0]=4 792 B11R1.22 O=C(CF)c1ccc(cc1)Cl 1458a_100000210187_100015361967 [0,1,0,0,0,1|2,0,0]=4 793 B11R1.22 O=C(CF)c1ccc(cc1)F 1458a_100000187176_100015361967 [0,1,0,0,0,1|2,0,0]=4 794 B11R1.22 O=C(CF)c1ccc(cc1)I 1458a_100000187904_100015361967 [0,1,0,0,0,1|2,0,0]=4 795 B11R1.22 O=C(CF)c1ccc(cc1)O 1458a_100000212099_100015361967 [0,1,0,0,0,1|2,0,0]=4 796 B11R1.22 O=C(CO)c1ccc(cc1)O 271570a_203496583355_100011219529 [0,1,0,0,0,1|2,0,0]=4 797 B11R1.23 CCC(=O)c1cc(ccn1)O 271570a_203496583355_200000094848 [0,1,0,0,0,1|0,0,1]=3 798 B11R1.23 CCC(=O)c1cccc(c1)Br 1458a_100000210664_100000210202 [0,1,0,0,0,1|1,0,0]=3 799 B11R1.23 CCC(=O)c1cccc(c1)C 1458a_100000189346_100000210202 [0,1,0,0,0,1|1,0,0]=3 800 B11R1.23 CCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000210202 [0,1,0,0,0,1|1,0,0]=3 801 B11R1.23 CCC(=O)c1cccc(c1)F 1458a_100000210950_100000210202 [0,1,0,0,0,1|1,0,0]=3 802 B11R1.23 CCC(=O)c1cccc(c1)I 1458a_100000184098_100000210202 [0,1,0,0,0,1|1,0,0]=3 803 B11R1.23 CCC(=O)c1cccc(c1)O 1458a_100000183914_100000210202 [0,1,0,0,0,1|1,0,0]=3 804 B11R1.23 CCC(=O)c1cccc(c1)O 271570a_203496583355_100000211677 [0,1,0,0,0,1|1,0,0]=3 805 B11R1.23 CCC(=O)c1cccc(n1)O 271570a_203496583355_100011004013 [0,1,0,0,0,1|0,0,1]=3 806 B11R1.23 CNC(=O)c1cc(ccn1)O 271570a_203496583355_100000204654 [0,1,0,0,0,1|1,0,1]=4 807 B11R1.23 CNC(=O)c1cccc(c1)Br 11a_106832991635_100000210664 [0,1,0,0,0,1|2,0,0]=4 808 B11R1.23 CNC(=O)c1cccc(c1)Br 1626a_100102657272_100000210664 [0,1,0,0,0,1|2,0,0]=4 809 B11R1.23 CNC(=O)c1cccc(c1)Br 240690a_100102657272_100000210664 [0,1,0,0,0,1|2,0,0]=4 810 B11R1.23 CNC(=O)c1cccc(c1)Br 527a_100102657272_100000210664 [0,1,0,0,0,1|2,0,0]=4 811 B11R1.23 CNC(=O)c1cccc(c1)C 11a_106832991635_100000189346 [0,1,0,0,0,1|2,0,0]=4 812 B11R1.23 CNC(=O)c1cccc(c1)C 1626a_100102657272_100000189346 [0,1,0,0,0,1|2,0,0]=4 813 B11R1.23 CNC(=O)c1cccc(c1)C 240690a_100102657272_100000189346 [0,1,0,0,0,1|2,0,0]=4 814 B11R1.23 CNC(=O)c1cccc(c1)C 527a_100102657272_100000189346 [0,1,0,0,0,1|2,0,0]=4 815 B11R1.23 CNC(=O)c1cccc(c1)Cl 11a_106832991635_100000210390 [0,1,0,0,0,1|2,0,0]=4 816 B11R1.23 CNC(=O)c1cccc(c1)Cl 1626a_100102657272_100000210390 [0,1,0,0,0,1|2,0,0]=4 817 B11R1.23 CNC(=O)c1cccc(c1)Cl 240690a_100102657272_100000210390 [0,1,0,0,0,1|2,0,0]=4 818 B11R1.23 CNC(=O)c1cccc(c1)Cl 527a_100102657272_100000210390 [0,1,0,0,0,1|2,0,0]=4 819 B11R1.23 CNC(=O)c1cccc(c1)F 11a_106832991635_100000210950 [0,1,0,0,0,1|2,0,0]=4 820 B11R1.23 CNC(=O)c1cccc(c1)F 1626a_100102657272_100000210950 [0,1,0,0,0,1|2,0,0]=4 821 B11R1.23 CNC(=O)c1cccc(c1)F 240690a_100102657272_100000210950 [0,1,0,0,0,1|2,0,0]=4 822 B11R1.23 CNC(=O)c1cccc(c1)F 527a_100102657272_100000210950 [0,1,0,0,0,1|2,0,0]=4 823 B11R1.23 CNC(=O)c1cccc(c1)I 11a_106832991635_100000184098 [0,1,0,0,0,1|2,0,0]=4 824 B11R1.23 CNC(=O)c1cccc(c1)I 1626a_100102657272_100000184098 [0,1,0,0,0,1|2,0,0]=4 825 B11R1.23 CNC(=O)c1cccc(c1)I 240690a_100102657272_100000184098 [0,1,0,0,0,1|2,0,0]=4 826 B11R1.23 CNC(=O)c1cccc(c1)I 527a_100102657272_100000184098 [0,1,0,0,0,1|2,0,0]=4 827 B11R1.23 CNC(=O)c1cccc(c1)O 240690a_100102657272_100000183914 [0,1,0,0,0,1|2,0,0]=4 828 B11R1.23 CNC(=O)c1cccc(c1)O 271570a_203496583355_100000155082 [0,1,0,0,0,1|2,0,0]=4 829 B11R1.23 CNC(=O)c1cccc(c1)O 527a_100102657272_100000183914 [0,1,0,0,0,1|2,0,0]=4 830 B11R1.23 CNC(=O)c1cccc(n1)O 271570a_203496583355_100000755456 [0,1,0,0,0,1|1,0,1]=4 831 B11R1.23 CNC(=O)c1ccnc(c1)O 271570a_203496583355_100011196506 [0,1,0,0,0,1|2,0,0]=4 832 B11R1.23 CNC(=O)c1cncc(c1)O 271570a_203496583355_200000155086 [0,1,0,0,0,1|1,0,1]=4 833 B11R1.23 COC(=O)c1cc(ccn1)O 271570a_203496583355_100000693414 [0,1,0,0,0,1|1,0,1]=4 834 B11R1.23 COC(=O)c1cc(ncn1)O 271570a_203496583355_100000051410 [0,1,0,0,0,1|1,0,1]=4 835 B11R1.23 COC(=O)c1cccc(c1)O 271570a_203496583355_100000148679 [0,1,0,0,0,1|2,0,0]=4 836 B11R1.23 COC(=O)c1cccc(n1)O 271570a_203496583355_100000708286 [0,1,0,0,0,1|1,0,1]=4 837 B11R1.23 COC(=O)c1ccnc(c1)O 271570a_203496583355_100011934382 [0,1,0,0,0,1|2,0,0]=4 838 B11R1.23 COC(=O)c1ccnc(n1)O 271570a_203496583355_100000070389 [0,1,0,0,0,1|1,0,1]=4 839 B11R1.23 COC(=O)c1cncc(c1)O 271570a_203496583355_100000148912 [0,1,0,0,0,1|1,0,1]=4 840 B11R1.23 COC(=O)c1cncc(n1)O 271570a_203496583355_100000765340 [0,1,0,0,0,1|1,0,1]=4 841 B11R1.23 Cc1cccc(c1)C(=O)CF 1458a_100000189346_100015361967 [0,1,0,0,0,1|2,0,0]=4 842 B11R1.23 NCC(=O)c1cccc(c1)O 271570a_203496583355_100020587001 [0,1,0,0,0,1|2,0,0]=4 843 B11R1.23 O=C(CF)c1cccc(c1)Br 1458a_100000210664_100015361967 [0,1,0,0,0,1|2,0,0]=4 844 B11R1.23 O=C(CF)c1cccc(c1)Cl 1458a_100000210390_100015361967 [0,1,0,0,0,1|2,0,0]=4 845 B11R1.23 O=C(CF)c1cccc(c1)F 1458a_100000210950_100015361967 [0,1,0,0,0,1|2,0,0]=4 846 B11R1.23 O=C(CF)c1cccc(c1)I 1458a_100000184098_100015361967 [0,1,0,0,0,1|2,0,0]=4 847 B11R1.23 O=C(CF)c1cccc(c1)O 1458a_100000183914_100015361967 [0,1,0,0,0,1|2,0,0]=4 848 B11R1.36 CC(C)C(=O)c1ccccc1 1458a_100000185807_100000210206 [0,1,0,0,0,1|1,0,0]=3 849 B11R1.36 CN(C)C(=O)c1ccccc1 11a_100102631434_100000185807 [0,1,0,0,0,1|2,0,0]=4 850 B11R1.36 CN(C)C(=O)c1ccccc1 1626a_100102631434_100000185807 [0,1,0,0,0,1|2,0,0]=4 851 B11R1.36 CN(C)C(=O)c1ccccc1 240690a_100102631434_100000185807 [0,1,0,0,0,1|2,0,0]=4 852 B11R1.36 CN(C)C(=O)c1ccccc1 527a_100102631434_100000185807 [0,1,0,0,0,1|2,0,0]=4 853 B11R1.222 CCC(=O)c1ccccc1Br 1458a_100000188424_100000210202 [0,1,0,0,0,1|1,0,0]=3 854 B11R1.222 CCC(=O)c1ccccc1C 1458a_100000212026_100000210202 [0,1,0,0,0,1|1,0,0]=3 855 B11R1.222 CCC(=O)c1ccccc1Cl 1458a_100000185844_100000210202 [0,1,0,0,0,1|1,0,0]=3 856 B11R1.222 CCC(=O)c1ccccc1F 1458a_100000188656_100000210202 [0,1,0,0,0,1|1,0,0]=3 857 B11R1.222 CCC(=O)c1ccccc1I 1458a_100000187884_100000210202 [0,1,0,0,0,1|1,0,0]=3 858 B11R1.222 CCC(=O)c1ccccc1O 1458a_100015234032_100000210202 [0,1,0,0,0,1|1,0,0]=3 859 B11R1.222 CCC(=O)c1ccccc1[O-] 1458a_100009911694_100000210202 [0,1,0,0,0,1|1,0,0]=3 860 B11R1.222 CNC(=O)c1ccccc1Br 11a_106832991635_100000188424 [0,1,0,0,0,1|2,0,0]=4 861 B11R1.222 CNC(=O)c1ccccc1Br 1626a_100102657272_100000188424 [0,1,0,0,0,1|2,0,0]=4 862 B11R1.222 CNC(=O)c1ccccc1Br 240690a_100102657272_100000188424 [0,1,0,0,0,1|2,0,0]=4 863 B11R1.222 CNC(=O)c1ccccc1Br 527a_100102657272_100000188424 [0,1,0,0,0,1|2,0,0]=4 864 B11R1.222 CNC(=O)c1ccccc1C 11a_106832991635_100000212026 [0,1,0,0,0,1|2,0,0]=4 865 B11R1.222 CNC(=O)c1ccccc1C 1626a_100102657272_100000212026 [0,1,0,0,0,1|2,0,0]=4 866 B11R1.222 CNC(=O)c1ccccc1C 240690a_100102657272_100000212026 [0,1,0,0,0,1|2,0,0]=4 867 B11R1.222 CNC(=O)c1ccccc1C 527a_100102657272_100000212026 [0,1,0,0,0,1|2,0,0]=4 868 B11R1.222 CNC(=O)c1ccccc1Cl 11a_106832991635_100000185844 [0,1,0,0,0,1|2,0,0]=4 869 B11R1.222 CNC(=O)c1ccccc1Cl 1626a_100102657272_100000185844 [0,1,0,0,0,1|2,0,0]=4 870 B11R1.222 CNC(=O)c1ccccc1Cl 240690a_100102657272_100000185844 [0,1,0,0,0,1|2,0,0]=4 871 B11R1.222 CNC(=O)c1ccccc1Cl 527a_100102657272_100000185844 [0,1,0,0,0,1|2,0,0]=4 872 B11R1.222 CNC(=O)c1ccccc1F 11a_106832991635_100000188656 [0,1,0,0,0,1|2,0,0]=4 873 B11R1.222 CNC(=O)c1ccccc1F 1626a_100102657272_100000188656 [0,1,0,0,0,1|2,0,0]=4 874 B11R1.222 CNC(=O)c1ccccc1F 240690a_100102657272_100000188656 [0,1,0,0,0,1|2,0,0]=4 875 B11R1.222 CNC(=O)c1ccccc1F 527a_100102657272_100000188656 [0,1,0,0,0,1|2,0,0]=4 876 B11R1.222 CNC(=O)c1ccccc1I 11a_106832991635_100000187884 [0,1,0,0,0,1|2,0,0]=4 877 B11R1.222 CNC(=O)c1ccccc1I 1626a_100102657272_100000187884 [0,1,0,0,0,1|2,0,0]=4 878 B11R1.222 CNC(=O)c1ccccc1I 240690a_100102657272_100000187884 [0,1,0,0,0,1|2,0,0]=4 879 B11R1.222 CNC(=O)c1ccccc1I 527a_100102657272_100000187884 [0,1,0,0,0,1|2,0,0]=4 880 B11R1.222 CNC(=O)c1ccccc1O 240690a_100102657272_100015234032 [0,1,0,0,0,1|2,0,0]=4 881 B11R1.222 CNC(=O)c1ccccc1O 271570a_203496583355_100000155073 [0,1,0,0,0,1|2,0,0]=4 882 B11R1.222 CNC(=O)c1ccccc1[O-] 1626a_100102657272_100009911694 [0,1,0,0,0,1|2,0,0]=4 883 B11R1.222 CNC(=O)c1ccccc1[O-] 240690a_100102657272_100009911694 [0,1,0,0,0,1|2,0,0]=4 884 B11R1.222 CNC(=O)c1ccccc1[O-] 527a_100102657272_100009911694 [0,1,0,0,0,1|2,0,0]=4 885 B11R1.222 CNC(=O)c1cccnc1O 271570a_203496583355_100000159833 [0,1,0,0,0,1|1,0,1]=4 886 B11R1.222 COC(=O)c1ccccc1O 271570a_203496583355_100000148710 [0,1,0,0,0,1|2,0,0]=4 887 B11R1.222 COC(=O)c1cccnc1O 271570a_203496583355_100000150852 [0,1,0,0,0,1|1,0,1]=4 888 B11R1.222 COC(=O)c1ccncc1O 271570a_203496583355_100010008606 [0,1,0,0,0,1|2,0,0]=4 889 B11R1.222 COC(=O)c1cnccc1O 271570a_203496583355_100020629055 [0,1,0,0,0,1|1,0,1]=4 890 B11R1.222 COC(=O)c1ncccc1O 271570a_203496583355_100011935214 [0,1,0,0,0,1|1,0,1]=4 891 B11R1.222 COC(=O)c1nccnc1O 271570a_203496583355_100000688410 [0,1,0,0,0,1|1,0,1]=4 892 B11R1.222 COC(=O)c1ncncc1O 271570a_203496583355_100012360100 [0,1,0,0,0,1|1,0,1]=4 893 B11R1.222 Cc1ccccc1C(=O)CF 1458a_100000212026_100015361967 [0,1,0,0,0,1|2,0,0]=4 894 B11R1.222 O=C(CF)c1ccccc1Br 1458a_100000188424_100015361967 [0,1,0,0,0,1|2,0,0]=4 895 B11R1.222 O=C(CF)c1ccccc1Cl 1458a_100000185844_100015361967 [0,1,0,0,0,1|2,0,0]=4 896 B11R1.222 O=C(CF)c1ccccc1F 1458a_100000188656_100015361967 [0,1,0,0,0,1|2,0,0]=4 897 B11R1.222 O=C(CF)c1ccccc1I 1458a_100000187884_100015361967 [0,1,0,0,0,1|2,0,0]=4 898 B11R1.222 O=C(CF)c1ccccc1O 1458a_100015234032_100015361967 [0,1,0,0,0,1|2,0,0]=4 899 B11R1.222 O=C(CF)c1ccccc1[O-] 1458a_100009911694_100015361967 [0,1,0,0,0,1|2,0,0]=4 900 B11R1.30 C#CCC(=O)Cc1ccc[nH]1 1458a_100000238377_100000184674 [0,1,0,0,0,1|0,0,1]=3 901 B11R1.30 C#CCC(=O)Cc1ccco1 1458a_100011217309_100000184674 [0,1,0,0,0,1|1,0,1]=4 902 B11R1.30 C#CCC(=O)Cc1cccs1 1458a_100000210189_100000184674 [0,1,0,0,0,1|1,0,1]=4 903 B11R1.30 C#CCC(=O)Cc1ccn[nH]1 1458a_100000752941_100000184674 [0,1,0,0,0,1|1,0,1]=4 904 B11R1.30 C#CCC(=O)Cc1ccn[nH]1 1458a_100011220946_100000728653 [0,1,0,0,0,1|1,0,1]=4 905 B11R1.30 C=CCC(=O)Cc1ccc[nH]1 1458a_100000238377_100000210623 [0,1,0,0,0,1|0,0,1]=3 906 B11R1.30 C=CCC(=O)Cc1ccco1 1458a_100011217309_100000210623 [0,1,0,0,0,1|1,0,1]=4 907 B11R1.30 C=CCC(=O)Cc1cccs1 1458a_100000210189_100000210623 [0,1,0,0,0,1|1,0,1]=4 908 B11R1.30 C=CCC(=O)Cc1ccn[nH]1 1458a_100000210193_100000728653 [0,1,0,0,0,1|1,0,1]=4 909 B11R1.30 C=CCC(=O)Cc1ccn[nH]1 1458a_100000752941_100000210623 [0,1,0,0,0,1|1,0,1]=4 910 B11R1.30 CC#CC(=O)Cc1ccn[nH]1 1458a_100000763181_100000728653 [0,1,0,0,0,1|1,0,1]=4 911 B11R1.30 CC=CC(=O)Cc1ccn[nH]1 1458a_100000210699_100000728653 [0,1,0,0,0,1|1,0,1]=4 912 B11R1.30 CCCC(=O)Cc1c[nH]cn1 1458a_100000211992_100000707719 [0,1,0,0,0,1|1,0,1]=4 913 B11R1.30 CCCC(=O)Cc1c[nH]cn1 1458a_100015291406_100000210303 [0,1,0,0,0,1|1,0,1]=4 914 B11R1.30 CCCC(=O)Cc1ccc[nH]1 1458a_100000238377_100000210303 [0,1,0,0,0,1|0,0,0]=2 915 B11R1.30 CCCC(=O)Cc1ccco1 1458a_100011217309_100000210303 [0,1,0,0,0,1|1,0,0]=3 916 B11R1.30 CCCC(=O)Cc1cccs1 1458a_100000210189_100000210303 [0,1,0,0,0,1|1,0,0]=3 917 B11R1.30 CCCC(=O)Cc1ccn[nH]1 1458a_100000211992_100000728653 [0,1,0,0,0,1|1,0,0]=3 918 B11R1.30 CCCC(=O)Cc1ccn[nH]1 1458a_100000752941_100000210303 [0,1,0,0,0,1|1,0,0]=3 919 B11R1.30 CCCC(=O)Cc1ccoc1 1458a_100000684892_100000210303 [0,1,0,0,0,1|2,0,0]=4 920 B11R1.30 CCCC(=O)Cc1ccon1 1458a_100000211992_100000234950 [0,1,0,0,0,1|1,0,1]=4 921 B11R1.30 CCCC(=O)Cc1ccsc1 1458a_100000184062_100000210303 [0,1,0,0,0,1|2,0,0]=4 922 B11R1.30 CCCC(=O)Cc1ccsc1 1458a_100000211992_100011233845 [0,1,0,0,0,1|2,0,0]=4 923 B11R1.30 CCCC(=O)Cc1cncs1 1458a_100000211992_100015185245 [0,1,0,0,0,1|2,0,0]=4 924 B11R1.30 CCCC(=O)Cc1cscn1 1458a_100000211992_100000205941 [0,1,0,0,0,1|1,0,1]=4 925 B11R1.30 CCCC(=O)Cc1cscn1 1458a_100011438297_100000210303 [0,1,0,0,0,1|1,0,1]=4 926 B11R1.30 CCCC(=O)Cc1ncco1 1458a_100000211992_103436540062 [0,1,0,0,0,1|1,0,1]=4 927 B11R1.30 CCCC(=O)Cc1nccs1 1458a_100000211992_100015184050 [0,1,0,0,0,1|1,0,1]=4 928 B11R1.30 CCCC(=O)Cn1cccc1 1458a_100011196272_100000210303 [0,1,0,0,0,1|2,0,0]=4 929 B11R1.30 CCCC(=O)Cn1cccn1 1458a_100000233772_100000210303 [0,1,0,0,0,1|1,0,1]=4 930 B11R1.30 CCNC(=O)Cc1c[nH]cn1 240690a_100015525214_100015291406 [0,1,0,0,0,1|1,0,1]=4 931 B11R1.30 CCNC(=O)Cc1ccc[nH]1 11a_100015525214_100000238377 [0,1,0,0,0,1|0,0,0]=2 932 B11R1.30 CCNC(=O)Cc1ccc[nH]1 240690a_100015525214_100000238377 [0,1,0,0,0,1|0,0,0]=2 933 B11R1.30 CCNC(=O)Cc1ccc[nH]1 527a_100015525214_100000238377 [0,1,0,0,0,1|0,0,0]=2 934 B11R1.30 CCNC(=O)Cc1ccco1 11a_100015525214_100011217309 [0,1,0,0,0,1|1,0,0]=3 935 B11R1.30 CCNC(=O)Cc1ccco1 527a_100015525214_100011217309 [0,1,0,0,0,1|1,0,0]=3 936 B11R1.30 CCNC(=O)Cc1cccs1 11a_100015525214_100000210189 [0,1,0,0,0,1|1,0,0]=3 937 B11R1.30 CCNC(=O)Cc1cccs1 240690a_100015525214_100000210189 [0,1,0,0,0,1|1,0,0]=3 938 B11R1.30 CCNC(=O)Cc1ccn[nH]1 11a_100015525214_100000752941 [0,1,0,0,0,1|1,0,0]=3 939 B11R1.30 CCNC(=O)Cc1ccn[nH]1 240690a_100015525214_100000752941 [0,1,0,0,0,1|1,0,0]=3 940 B11R1.30 CCNC(=O)Cc1ccn[nH]1 527a_100015525214_100000752941 [0,1,0,0,0,1|1,0,0]=3 941 B11R1.30 CCNC(=O)Cc1ccoc1 11a_100015525214_100000684892 [0,1,0,0,0,1|2,0,0]=4 942 B11R1.30 CCNC(=O)Cc1ccoc1 240690a_100015525214_100000684892 [0,1,0,0,0,1|2,0,0]=4 943 B11R1.30 CCNC(=O)Cc1ccoc1 527a_100015525214_100000684892 [0,1,0,0,0,1|2,0,0]=4 944 B11R1.30 CCNC(=O)Cc1ccsc1 11a_100015525214_100000184062 [0,1,0,0,0,1|2,0,0]=4 945 B11R1.30 CCNC(=O)Cc1ccsc1 240690a_100015525214_100000184062 [0,1,0,0,0,1|2,0,0]=4 946 B11R1.30 CCNC(=O)Cc1ccsc1 527a_100015525214_100000184062 [0,1,0,0,0,1|2,0,0]=4 947 B11R1.30 CCNC(=O)Cc1cscn1 11a_100015525214_100011438297 [0,1,0,0,0,1|1,0,1]=4 948 B11R1.30 CCNC(=O)Cc1cscn1 240690a_100015525214_100011438297 [0,1,0,0,0,1|1,0,1]=4 949 B11R1.30 CCNC(=O)Cc1cscn1 527a_100015525214_100011438297 [0,1,0,0,0,1|1,0,1]=4 950 B11R1.30 CCNC(=O)Cn1cccc1 11a_100015525214_100011196272 [0,1,0,0,0,1|2,0,0]=4 951 B11R1.30 CCNC(=O)Cn1cccc1 527a_100015525214_100011196272 [0,1,0,0,0,1|2,0,0]=4 952 B11R1.30 CCNC(=O)Cn1cccn1 11a_100015525214_100000233772 [0,1,0,0,0,1|1,0,1]=4 953 B11R1.30 CCNC(=O)Cn1cccn1 240690a_100015525214_100000233772 [0,1,0,0,0,1|1,0,1]=4 954 B11R1.30 CCNC(=O)Cn1cccn1 527a_100015525214_100000233772 [0,1,0,0,0,1|1,0,1]=4 955 B11R1.30 CNCC(=O)Nc1ccon1 2230a_106832991635_100000239699 [0,1,0,0,0,1|1,0,1]=4 956 B11R1.30 CNCC(=O)Nc1ccon1 7a_106832991635_100000239699 [0,1,0,0,0,1|1,0,1]=4 957 B11R1.30 CNCC(=O)Nc1nccs1 2230a_106832991635_100000183294 [0,1,0,0,0,1|1,0,1]=4 958 B11R1.30 CNCC(=O)Nc1nccs1 7a_106832991635_100000183294 [0,1,0,0,0,1|1,0,1]=4 959 B11R1.30 CNNC(=O)Cc1ccc[nH]1 22a_100016993582_100000238377 [0,1,0,0,0,1|1,0,0]=3 960 B11R1.30 CNNC(=O)Cc1ccco1 22a_100016993582_100011217309 [0,1,0,0,0,1|2,0,0]=4 961 B11R1.30 CNNC(=O)Cc1cccs1 22a_100016993582_100000210189 [0,1,0,0,0,1|2,0,0]=4 962 B11R1.30 CNNC(=O)Cc1ccn[nH]1 22a_100016993582_100000752941 [0,1,0,0,0,1|2,0,0]=4 963 B11R1.30 COCC(=O)Cc1c[nH]cn1 1458a_100000210968_100000707719 [0,1,0,0,0,1|1,0,1]=4 964 B11R1.30 COCC(=O)Cc1ccn[nH]1 1458a_100000210968_100000728653 [0,1,0,0,0,1|1,0,0]=3 965 B11R1.30 COCC(=O)Cc1ccon1 1458a_100000210968_100000234950 [0,1,0,0,0,1|1,0,1]=4 966 B11R1.30 COCC(=O)Cc1ccsc1 1458a_100000210968_100011233845 [0,1,0,0,0,1|2,0,0]=4 967 B11R1.30 COCC(=O)Cc1cncs1 1458a_100000210968_100015185245 [0,1,0,0,0,1|2,0,0]=4 968 B11R1.30 COCC(=O)Cc1cscn1 1458a_100000210968_100000205941 [0,1,0,0,0,1|1,0,1]=4 969 B11R1.30 COCC(=O)Cc1ncco1 1458a_100000210968_103436540062 [0,1,0,0,0,1|1,0,1]=4 970 B11R1.30 COCC(=O)Cc1nccs1 1458a_100000210968_100015184050 [0,1,0,0,0,1|1,0,1]=4 971 B11R1.30 CSCC(=O)Cc1c[nH]cn1 1458a_100000184570_100000707719 [0,1,0,0,0,1|1,0,1]=4 972 B11R1.30 CSCC(=O)Cc1ccn[nH]1 1458a_100000184570_100000728653 [0,1,0,0,0,1|1,0,0]=3 973 B11R1.30 CSCC(=O)Cc1ccon1 1458a_100000184570_100000234950 [0,1,0,0,0,1|1,0,1]=4 974 B11R1.30 CSCC(=O)Cc1ccsc1 1458a_100000184570_100011233845 [0,1,0,0,0,1|2,0,0]=4 975 B11R1.30 CSCC(=O)Cc1cncs1 1458a_100000184570_100015185245 [0,1,0,0,0,1|2,0,0]=4 976 B11R1.30 CSCC(=O)Cc1cscn1 1458a_100000184570_100000205941 [0,1,0,0,0,1|1,0,1]=4 977 B11R1.30 CSCC(=O)Cc1ncco1 1458a_100000184570_103436540062 [0,1,0,0,0,1|1,0,1]=4 978 B11R1.30 CSCC(=O)Cc1nccs1 1458a_100000184570_100015184050 [0,1,0,0,0,1|1,0,1]=4 979 B11R1.30 CSCC(=O)Nc1ccon1 62a_100000239699_200000210301 [0,1,0,0,0,1|1,0,1]=4 980 B11R1.30 CSCC(=O)Nc1ccon1 62a_200000210301_100000239699 [0,1,0,0,0,1|1,0,1]=4 981 B11R1.30 CSCC(=O)Nc1nccs1 62a_100000183294_200000210301 [0,1,0,0,0,1|1,0,1]=4 982 B11R1.30 CSCC(=O)Nc1nccs1 62a_200000210301_100000183294 [0,1,0,0,0,1|1,0,1]=4 983 B11R1.30 N#CCC(=O)Cc1ccc[nH]1 1458a_100000238377_100011214920 [0,1,0,0,0,1|0,0,1]=3 984 B11R1.30 N#CCC(=O)Cc1ccco1 1458a_100011217309_100011214920 [0,1,0,0,0,1|1,0,1]=4 985 B11R1.30 N#CCC(=O)Cc1cccs1 1458a_100000210189_100011214920 [0,1,0,0,0,1|1,0,1]=4 986 B11R1.30 N#CCC(=O)Cc1ccn[nH]1 1458a_100000752941_100011214920 [0,1,0,0,0,1|1,0,1]=4 987 B11R1.30 N#CCC(=O)Cc1ccn[nH]1 1458a_100051588842_100000728653 [0,1,0,0,0,1|1,0,1]=4 988 B11R1.30 O=C(CCF)Cc1c[nH]cn1 1458a_100015291406_100011217306 [0,1,0,0,0,1|1,0,1]=4 989 B11R1.30 O=C(CCF)Cc1ccc[nH]1 1458a_100000238377_100011217306 [0,1,0,0,0,1|0,0,0]=2 990 B11R1.30 O=C(CCF)Cc1ccco1 1458a_100011217309_100011217306 [0,1,0,0,0,1|1,0,0]=3 991 B11R1.30 O=C(CCF)Cc1cccs1 1458a_100000210189_100011217306 [0,1,0,0,0,1|1,0,0]=3 992 B11R1.30 O=C(CCF)Cc1ccn[nH]1 1458a_100000752941_100011217306 [0,1,0,0,0,1|1,0,0]=3 993 B11R1.30 O=C(CCF)Cc1ccoc1 1458a_100000684892_100011217306 [0,1,0,0,0,1|2,0,0]=4 994 B11R1.30 O=C(CCF)Cc1ccsc1 1458a_100000184062_100011217306 [0,1,0,0,0,1|2,0,0]=4 995 B11R1.30 O=C(CCF)Cc1cscn1 1458a_100011438297_100011217306 [0,1,0,0,0,1|1,0,1]=4 996 B11R1.30 O=C(CCF)Cn1cccc1 1458a_100011196272_100011217306 [0,1,0,0,0,1|2,0,0]=4 997 B11R1.30 O=C(CCF)Cn1cccn1 1458a_100000233772_100011217306 [0,1,0,0,0,1|1,0,1]=4 998 B11R1.30 O=C(CCO)Cc1c[nH]cn1 1458a_100011216618_100000707719 [0,1,0,0,0,1|1,0,1]=4 999 B11R1.30 O=C(CCO)Cc1c[nH]cn1 1458a_100015291406_100000211926 [0,1,0,0,0,1|1,0,1]=4 1000 B11R1.30 O=C(CCO)Cc1ccc[nH]1 1458a_100000238377_100000211926 [0,1,0,0,0,1|0,0,0]=2 1001 B11R1.30 O=C(CCO)Cc1ccco1 1458a_100011217309_100000211926 [0,1,0,0,0,1|1,0,0]=3 1002 B11R1.30 O=C(CCO)Cc1cccs1 1458a_100000210189_100000211926 [0,1,0,0,0,1|1,0,0]=3 1003 B11R1.30 O=C(CCO)Cc1ccn[nH]1 1458a_100000752941_100000211926 [0,1,0,0,0,1|1,0,0]=3 1004 B11R1.30 O=C(CCO)Cc1ccn[nH]1 1458a_100011216618_100000728653 [0,1,0,0,0,1|1,0,0]=3 1005 B11R1.30 O=C(CCO)Cc1ccoc1 1458a_100000684892_100000211926 [0,1,0,0,0,1|2,0,0]=4 1006 B11R1.30 O=C(CCO)Cc1ccon1 1458a_100011216618_100000234950 [0,1,0,0,0,1|1,0,1]=4 1007 B11R1.30 O=C(CCO)Cc1ccsc1 1458a_100000184062_100000211926 [0,1,0,0,0,1|2,0,0]=4 1008 B11R1.30 O=C(CCO)Cc1ccsc1 1458a_100011216618_100011233845 [0,1,0,0,0,1|2,0,0]=4 1009 B11R1.30 O=C(CCO)Cc1cncs1 1458a_100011216618_100015185245 [0,1,0,0,0,1|2,0,0]=4 1010 B11R1.30 O=C(CCO)Cc1cscn1 1458a_100011216618_100000205941 [0,1,0,0,0,1|1,0,1]=4 1011 B11R1.30 O=C(CCO)Cc1cscn1 1458a_100011438297_100000211926 [0,1,0,0,0,1|1,0,1]=4 1012 B11R1.30 O=C(CCO)Cc1ncco1 1458a_100011216618_103436540062 [0,1,0,0,0,1|1,0,1]=4 1013 B11R1.30 O=C(CCO)Cc1nccs1 1458a_100011216618_100015184050 [0,1,0,0,0,1|1,0,1]=4 1014 B11R1.30 O=C(CCO)Cn1cccc1 1458a_100011196272_100000211926 [0,1,0,0,0,1|2,0,0]=4 1015 B11R1.30 O=C(CCO)Cn1cccn1 1458a_100000233772_100000211926 [0,1,0,0,0,1|1,0,1]=4 1016 B11R1.30 [13CH3]SCC(=O)Nc1ccon1 62a_100000239699_200025704644 [0,1,0,0,0,1|1,0,1]=4 1017 B11R1.30 [13CH3]SCC(=O)Nc1ccon1 62a_200025704644_100000239699 [0,1,0,0,0,1|1,0,1]=4 1018 B11R1.30 [13CH3]SCC(=O)Nc1nccs1 62a_100000183294_200025704644 [0,1,0,0,0,1|1,0,1]=4 1019 B11R1.30 [13CH3]SCC(=O)Nc1nccs1 62a_200025704644_100000183294 [0,1,0,0,0,1|1,0,1]=4 1020 B11R1.31 CCC(=O)C(C)n1cccc1 1458a_100000243804_100000210202 [0,1,0,0,0,1|2,0,0]=4 1021 B11R1.35 C=C(C)C(=O)Cc1ccn[nH]1 1458a_100000185857_100000728653 [0,1,0,0,0,1|1,0,1]=4 1022 B11R1.35 CC(C)C(=O)Cc1c[nH]cn1 1458a_100000210198_100000707719 [0,1,0,0,0,1|1,0,1]=4 1023 B11R1.35 CC(C)C(=O)Cc1c[nH]cn1 1458a_100015291406_100000210206 [0,1,0,0,0,1|1,0,1]=4 1024 B11R1.35 CC(C)C(=O)Cc1ccc[nH]1 1458a_100000238377_100000210206 [0,1,0,0,0,1|0,0,0]=2 1025 B11R1.35 CC(C)C(=O)Cc1ccco1 1458a_100011217309_100000210206 [0,1,0,0,0,1|1,0,0]=3 1026 B11R1.35 CC(C)C(=O)Cc1cccs1 1458a_100000210189_100000210206 [0,1,0,0,0,1|1,0,0]=3 1027 B11R1.35 CC(C)C(=O)Cc1ccn[nH]1 1458a_100000210198_100000728653 [0,1,0,0,0,1|1,0,0]=3 1028 B11R1.35 CC(C)C(=O)Cc1ccn[nH]1 1458a_100000752941_100000210206 [0,1,0,0,0,1|1,0,0]=3 1029 B11R1.35 CC(C)C(=O)Cc1ccoc1 1458a_100000684892_100000210206 [0,1,0,0,0,1|2,0,0]=4 1030 B11R1.35 CC(C)C(=O)Cc1ccon1 1458a_100000210198_100000234950 [0,1,0,0,0,1|1,0,1]=4 1031 B11R1.35 CC(C)C(=O)Cc1ccsc1 1458a_100000184062_100000210206 [0,1,0,0,0,1|2,0,0]=4 1032 B11R1.35 CC(C)C(=O)Cc1ccsc1 1458a_100000210198_100011233845 [0,1,0,0,0,1|2,0,0]=4 1033 B11R1.35 CC(C)C(=O)Cc1cncs1 1458a_100000210198_100015185245 [0,1,0,0,0,1|2,0,0]=4 1034 B11R1.35 CC(C)C(=O)Cc1cscn1 1458a_100000210198_100000205941 [0,1,0,0,0,1|1,0,1]=4 1035 B11R1.35 CC(C)C(=O)Cc1cscn1 1458a_100011438297_100000210206 [0,1,0,0,0,1|1,0,1]=4 1036 B11R1.35 CC(C)C(=O)Cc1ncco1 1458a_100000210198_103436540062 [0,1,0,0,0,1|1,0,1]=4 1037 B11R1.35 CC(C)C(=O)Cc1nccs1 1458a_100000210198_100015184050 [0,1,0,0,0,1|1,0,1]=4 1038 B11R1.35 CC(C)C(=O)Cn1cccc1 1458a_100011196272_100000210206 [0,1,0,0,0,1|2,0,0]=4 1039 B11R1.35 CC(C)C(=O)Cn1cccn1 1458a_100000233772_100000210206 [0,1,0,0,0,1|1,0,1]=4 1040 B11R1.35 CC(F)C(=O)Cc1c[nH]cn1 1458a_100000062450_100000707719 [0,1,0,0,0,1|1,0,1]=4 1041 B11R1.35 CC(F)C(=O)Cc1ccn[nH]1 1458a_100000062450_100000728653 [0,1,0,0,0,1|1,0,0]=3 1042 B11R1.35 CC(F)C(=O)Cc1ccon1 1458a_100000062450_100000234950 [0,1,0,0,0,1|1,0,1]=4 1043 B11R1.35 CC(F)C(=O)Cc1ccsc1 1458a_100000062450_100011233845 [0,1,0,0,0,1|2,0,0]=4 1044 B11R1.35 CC(F)C(=O)Cc1cncs1 1458a_100000062450_100015185245 [0,1,0,0,0,1|2,0,0]=4 1045 B11R1.35 CC(F)C(=O)Cc1cscn1 1458a_100000062450_100000205941 [0,1,0,0,0,1|1,0,1]=4 1046 B11R1.35 CC(F)C(=O)Cc1ncco1 1458a_100000062450_103436540062 [0,1,0,0,0,1|1,0,1]=4 1047 B11R1.35 CC(F)C(=O)Cc1nccs1 1458a_100000062450_100015184050 [0,1,0,0,0,1|1,0,1]=4 1048 B11R1.35 CN(C)C(=O)Cc1ccc[nH]1 11a_100102631434_100000238377 [0,1,0,0,0,1|1,0,0]=3 1049 B11R1.35 CN(C)C(=O)Cc1ccc[nH]1 240690a_100102631434_100000238377 [0,1,0,0,0,1|1,0,0]=3 1050 B11R1.35 CN(C)C(=O)Cc1ccc[nH]1 527a_100102631434_100000238377 [0,1,0,0,0,1|1,0,0]=3 1051 B11R1.35 CN(C)C(=O)Cc1ccco1 11a_100102631434_100011217309 [0,1,0,0,0,1|2,0,0]=4 1052 B11R1.35 CN(C)C(=O)Cc1ccco1 527a_100102631434_100011217309 [0,1,0,0,0,1|2,0,0]=4 1053 B11R1.35 CN(C)C(=O)Cc1cccs1 11a_100102631434_100000210189 [0,1,0,0,0,1|2,0,0]=4 1054 B11R1.35 CN(C)C(=O)Cc1cccs1 1626a_100102631434_100000210189 [0,1,0,0,0,1|2,0,0]=4 1055 B11R1.35 CN(C)C(=O)Cc1cccs1 240690a_100102631434_100000210189 [0,1,0,0,0,1|2,0,0]=4 1056 B11R1.35 CN(C)C(=O)Cc1ccn[nH]1 11a_100102631434_100000752941 [0,1,0,0,0,1|2,0,0]=4 1057 B11R1.35 CN(C)C(=O)Cc1ccn[nH]1 1626a_100102631434_100000752941 [0,1,0,0,0,1|2,0,0]=4 1058 B11R1.35 CN(C)C(=O)Cc1ccn[nH]1 240690a_100102631434_100000752941 [0,1,0,0,0,1|2,0,0]=4 1059 B11R1.35 CN(C)C(=O)Cc1ccn[nH]1 527a_100102631434_100000752941 [0,1,0,0,0,1|2,0,0]=4 1060 B11R1.35 C[C@@H](O)C(=O)Cc1c[nH]cn1 1458a_100000717761_100000707719 [0,1,0,0,0,1|1,0,1]=4 1061 B11R1.35 C[C@@H](O)C(=O)Cc1ccn[nH]1 1458a_100000717761_100000728653 [0,1,0,0,0,1|1,0,0]=3 1062 B11R1.35 C[C@@H](O)C(=O)Cc1ccon1 1458a_100000717761_100000234950 [0,1,0,0,0,1|1,0,1]=4 1063 B11R1.35 C[C@@H](O)C(=O)Cc1ccsc1 1458a_100000717761_100011233845 [0,1,0,0,0,1|2,0,0]=4 1064 B11R1.35 C[C@@H](O)C(=O)Cc1cncs1 1458a_100000717761_100015185245 [0,1,0,0,0,1|2,0,0]=4 1065 B11R1.35 C[C@@H](O)C(=O)Cc1cscn1 1458a_100000717761_100000205941 [0,1,0,0,0,1|1,0,1]=4 1066 B11R1.35 C[C@@H](O)C(=O)Cc1ncco1 1458a_100000717761_103436540062 [0,1,0,0,0,1|1,0,1]=4 1067 B11R1.35 C[C@@H](O)C(=O)Cc1nccs1 1458a_100000717761_100015184050 [0,1,0,0,0,1|1,0,1]=4 1068 B11R1.35 C[C@H](O)C(=O)Cc1c[nH]cn1 1458a_217856618621_100000707719 [0,1,0,0,0,1|1,0,1]=4 1069 B11R1.35 C[C@H](O)C(=O)Cc1ccn[nH]1 1458a_217856618621_100000728653 [0,1,0,0,0,1|1,0,0]=3 1070 B11R1.35 C[C@H](O)C(=O)Cc1ccon1 1458a_217856618621_100000234950 [0,1,0,0,0,1|1,0,1]=4 1071 B11R1.35 C[C@H](O)C(=O)Cc1ccsc1 1458a_217856618621_100011233845 [0,1,0,0,0,1|2,0,0]=4 1072 B11R1.35 C[C@H](O)C(=O)Cc1cncs1 1458a_217856618621_100015185245 [0,1,0,0,0,1|2,0,0]=4 1073 B11R1.35 C[C@H](O)C(=O)Cc1cscn1 1458a_217856618621_100000205941 [0,1,0,0,0,1|1,0,1]=4 1074 B11R1.35 C[C@H](O)C(=O)Cc1ncco1 1458a_217856618621_103436540062 [0,1,0,0,0,1|1,0,1]=4 1075 B11R1.35 C[C@H](O)C(=O)Cc1nccs1 1458a_217856618621_100015184050 [0,1,0,0,0,1|1,0,1]=4 1076 B11R1.35 O=C(Cc1ccn[nH]1)C(O)O 1458a_100000233687_100000728653 [0,1,0,0,0,1|2,0,0]=4 1077 B11R1.39 CCC(=O)Cc1cc(cs1)Br 1458a_100000210414_100000746031 [0,1,0,0,0,1|1,0,0]=3 1078 B11R1.39 CCC(=O)Cc1cc(cs1)Br 1458a_100011542370_100000210202 [0,1,0,0,0,1|1,0,0]=3 1079 B11R1.39 CCC(=O)Cc1cc(no1)Br 1458a_100000210414_100000709089 [0,1,0,0,0,1|2,0,0]=4 1080 B11R1.39 CCC(=O)Cc1cc(no1)C 1458a_100000037866_100000210202 [0,1,0,0,0,1|2,0,0]=4 1081 B11R1.39 CCC(=O)Cc1cc(no1)C 1458a_100000210414_100000707947 [0,1,0,0,0,1|2,0,0]=4 1082 B11R1.39 CCC(=O)Cc1cc(on1)C 1458a_100000210414_100000199038 [0,1,0,0,0,1|1,0,1]=4 1083 B11R1.39 CCC(=O)Cc1ccc(s1)Br 1458a_100000210414_100000708592 [0,1,0,0,0,1|1,0,0]=3 1084 B11R1.39 CCC(=O)Cc1ccc(s1)Br 1458a_100000238643_100000210202 [0,1,0,0,0,1|1,0,0]=3 1085 B11R1.39 CCC(=O)Cc1ccc(s1)Cl 1458a_100000210414_100000185097 [0,1,0,0,0,1|1,0,0]=3 1086 B11R1.39 CCC(=O)Cc1ccc(s1)Cl 1458a_100000238644_100000210202 [0,1,0,0,0,1|1,0,0]=3 1087 B11R1.39 CCC(=O)Cc1ccn(n1)C 1458a_100000210414_100000726502 [0,1,0,0,0,1|1,0,1]=4 1088 B11R1.39 CCC(=O)Cc1cn(cn1)C 1458a_100000210414_100000717665 [0,1,0,0,0,1|1,0,1]=4 1089 B11R1.39 CCC(=O)Cc1cn(cn1)C 1458a_100011512828_100000210202 [0,1,0,0,0,1|1,0,1]=4 1090 B11R1.39 CCC(=O)Cc1cnc(s1)Br 1458a_100000210414_100000717027 [0,1,0,0,0,1|2,0,0]=4 1091 B11R1.39 CCC(=O)Cc1cnc(s1)C 1458a_100000210414_100020635045 [0,1,0,0,0,1|2,0,0]=4 1092 B11R1.39 CCC(=O)Cc1cnc(s1)Cl 1458a_100000210414_100000058068 [0,1,0,0,0,1|2,0,0]=4 1093 B11R1.39 CCC(=O)Cc1csc(n1)C 1458a_100000184407_100000210202 [0,1,0,0,0,1|1,0,1]=4 1094 B11R1.39 CCC(=O)Cc1csc(n1)C 1458a_100000210414_100015186478 [0,1,0,0,0,1|1,0,1]=4 1095 B11R1.39 CCC(=O)Cc1csc(n1)Cl 1458a_100000210414_100000024076 [0,1,0,0,0,1|1,0,1]=4 1096 B11R1.39 CCC(=O)Cc1n[nH]c(=O)[nH]1 1458a_100000210414_100000754189 [0,1,0,0,0,1|2,0,0]=4 1097 B11R1.39 CCC(=O)Cn1cc(cn1)Br 1458a_100000238729_100000210202 [0,1,0,0,0,1|1,0,1]=4 1098 B11R1.39 CCC(=O)Cn1cc(cn1)C 1458a_100000743463_100000210202 [0,1,0,0,0,1|1,0,1]=4 1099 B11R1.39 CCC(=O)Cn1cc(cn1)Cl 1458a_100000759256_100000210202 [0,1,0,0,0,1|1,0,1]=4 1100 B11R1.39 CCC(=O)Cn1cc(cn1)I 1458a_100012072407_100000210202 [0,1,0,0,0,1|1,0,1]=4 1101 B11R1.39 CCC(=O)Cn1ccc(n1)C 1458a_100000238720_100000210202 [0,1,0,0,0,1|1,0,1]=4 1102 B11R1.39 CNC(=O)Cc1cc(cs1)Br 11a_106832991635_100011542370 [0,1,0,0,0,1|2,0,0]=4 1103 B11R1.39 CNC(=O)Cc1cc(cs1)Br 1626a_100102657272_100011542370 [0,1,0,0,0,1|2,0,0]=4 1104 B11R1.39 CNC(=O)Cc1cc(cs1)Br 240690a_100102657272_100011542370 [0,1,0,0,0,1|2,0,0]=4 1105 B11R1.39 CNC(=O)Cc1ccc(s1)Br 11a_106832991635_100000238643 [0,1,0,0,0,1|2,0,0]=4 1106 B11R1.39 CNC(=O)Cc1ccc(s1)Br 1626a_100102657272_100000238643 [0,1,0,0,0,1|2,0,0]=4 1107 B11R1.39 CNC(=O)Cc1ccc(s1)Cl 11a_106832991635_100000238644 [0,1,0,0,0,1|2,0,0]=4 1108 B11R1.39 CNC(=O)Cc1ccc(s1)Cl 1626a_100102657272_100000238644 [0,1,0,0,0,1|2,0,0]=4 1109 B11R1.39 CNC(=O)Cc1ccc(s1)Cl 240690a_100102657272_100000238644 [0,1,0,0,0,1|2,0,0]=4 1110 B11R1.39 COC(=O)Cc1ccc(s1)O 271570a_203496583355_100012028946 [0,1,0,0,0,1|2,0,0]=4 1111 B11R1.39 O=C(CF)Cc1cc(cs1)Br 1458a_100011542370_100015361967 [0,1,0,0,0,1|2,0,0]=4 1112 B11R1.39 O=C(CF)Cc1ccc(s1)Br 1458a_100000238643_100015361967 [0,1,0,0,0,1|2,0,0]=4 1113 B11R1.39 O=C(CF)Cc1ccc(s1)Cl 1458a_100000238644_100015361967 [0,1,0,0,0,1|2,0,0]=4 1114 B11R1.39 O=C(CO)Cc1cc(cs1)Br 1458a_100000210174_100000746031 [0,1,0,0,0,1|2,0,0]=4 1115 B11R1.39 O=C(CO)Cc1ccc(s1)Br 1458a_100000210174_100000708592 [0,1,0,0,0,1|2,0,0]=4 1116 B11R1.39 O=C(CO)Cc1ccc(s1)Cl 1458a_100000210174_100000185097 [0,1,0,0,0,1|2,0,0]=4 1117 B11R1.228 CCC(=O)Cc1ccnn1C 1458a_100000210414_100000691648 [0,1,0,0,0,1|1,0,0]=3 1118 B11R1.228 CCC(=O)Cc1ccsc1Br 1458a_100000210414_100009814289 [0,1,0,0,0,1|2,0,0]=4 1119 B11R1.228 CCC(=O)Cc1ccsc1Cl 1458a_100000210414_100010167017 [0,1,0,0,0,1|2,0,0]=4 1120 B11R1.228 CCC(=O)Cc1nc[nH]c1C 1458a_100000210414_100000751220 [0,1,0,0,0,1|1,0,1]=4 1121 B11R1.228 CCC(=O)Cc1ncoc1C 1458a_100000210414_200000693990 [0,1,0,0,0,1|1,0,1]=4 1122 B11R1.228 CCC(=O)Cn1nccc1C 1458a_100000759144_100000210202 [0,1,0,0,0,1|1,0,1]=4 1123 B11R1.228 CCN(C)Cc1cccn1C 2230a_100000188278_100000210202 [0,1,0,0,0,1|2,0,0]=4 1124 B11R1.228 CCN(C)Cc1cccn1C 269982a_100000188278_100000204670 [0,1,0,0,0,1|2,0,0]=4 1125 B11R1.228 CNC(=O)Cc1nccn1C 11a_106832991635_200015194843 [0,1,0,0,0,1|2,0,0]=4 1126 B11R1.228 CNC(=O)Cc1nccn1C 240690a_100102657272_200015194843 [0,1,0,0,0,1|2,0,0]=4 1127 B11R1.228 Cn1nccc1CC(=O)CO 1458a_100000210174_100000691648 [0,1,0,0,0,1|2,0,0]=4 1128 B11R1.6 CCS(=O)(=O)c1ccc(s1)O 271570a_203496583355_100000022460 [0,2,0,0,0,0|2,0,0]=4 1129 B11R1.33 CCNS(=O)(=O)c1ccco1 270084a_100015525214_200000702926 [0,2,0,0,0,0|2,0,0]=4 1130 B11R1.33 CCNS(=O)(=O)c1ccco1 274078a_100015525214_200000702926 [0,2,0,0,0,0|2,0,0]=4 1131 B11R1.33 CCNS(=O)(=O)c1cccs1 270084a_100015525214_100000205146 [0,2,0,0,0,0|2,0,0]=4 1132 B11R1.33 CCNS(=O)(=O)c1cccs1 274078a_100015525214_100000205146 [0,2,0,0,0,0|2,0,0]=4 1133 B11R1.33 CCNS(=O)(=O)c1cccs1 40a_100015525214_200000102146 [0,2,0,0,0,0|2,0,0]=4 1134 B11R1.2 CCNC(CC)c1ccc[nH]1 269862a_100015525214_200000242565 [0,2,0,0,0,0|1,0,1]=4 1135 B11R1.15 CCNC(=O)c1ccc(s1)O 271570a_203496583355_200000155171 [0,2,0,0,0,0|1,0,0]=3 1136 B11R1.15 CCNC(C)c1ccc([nH]1)Br 269862a_100015525214_200010494458 [0,2,0,0,0,0|1,0,1]=4 1137 B11R1.15 CCOC(=O)c1c[nH]c(n1)O 271570a_203496583355_100010231773 [0,2,0,0,0,0|1,0,1]=4 1138 B11R1.15 CCOC(=O)c1cc([nH]n1)O 271570a_203496583355_100010743333 [0,2,0,0,0,0|1,0,1]=4 1139 B11R1.15 CCOC(=O)c1cc(cs1)O 271570a_203496583355_100009815474 [0,2,0,0,0,0|1,0,0]=3 1140 B11R1.15 CCOC(=O)c1ccc([nH]1)O 271570a_203496583355_200000687776 [0,2,0,0,0,0|0,0,0]=2 1141 B11R1.15 CCOC(=O)c1ccc(o1)O 271570a_203496583355_200000170220 [0,2,0,0,0,0|1,0,0]=3 1142 B11R1.15 CCOC(=O)c1ccc(s1)O 271570a_203496583355_100000172375 [0,2,0,0,0,0|1,0,0]=3 1143 B11R1.15 CCOC(=O)c1cnc(o1)O 271570a_203496583355_100010205802 [0,2,0,0,0,0|2,0,0]=4 1144 B11R1.15 CCOC(=O)c1cnc(s1)O 271570a_203496583355_100009814955 [0,2,0,0,0,0|2,0,0]=4 1145 B11R1.15 CCOC(=O)c1coc(n1)O 271570a_203496583355_100011935043 [0,2,0,0,0,0|1,0,1]=4 1146 B11R1.15 CCOC(=O)c1csc(c1)O 271570a_203496583355_100011228516 [0,2,0,0,0,0|2,0,0]=4 1147 B11R1.15 CCOC(=O)c1csc(n1)O 271570a_203496583355_100009814092 [0,2,0,0,0,0|1,0,1]=4 1148 B11R1.15 CCOC(=O)c1nc(cs1)O 271570a_203496583355_200012359684 [0,2,0,0,0,0|1,0,1]=4 1149 B11R1.15 CCOC(=O)c1ncc([nH]1)O 271570a_203496583355_100010172669 [0,2,0,0,0,0|1,0,0]=3 1150 B11R1.15 CCOC(=O)c1ncc(s1)O 271570a_203496583355_100012362614 [0,2,0,0,0,0|1,0,1]=4 1151 B11R1.15 CNCC(=O)c1ccc(s1)Br 2230a_106832991635_100000185163 [0,2,0,0,0,0|1,0,0]=3 1152 B11R1.15 CNCC(=O)c1ccc(s1)Br 7a_106832991635_100000185163 [0,2,0,0,0,0|1,0,0]=3 1153 B11R1.15 CNCC(=O)c1ccc(s1)C 2230a_106832991635_100011262362 [0,2,0,0,0,0|1,0,0]=3 1154 B11R1.15 CNCC(=O)c1ccc(s1)C 34a_100102657272_100011262362 [0,2,0,0,0,0|1,0,0]=3 1155 B11R1.15 CNCC(=O)c1ccc(s1)C 7a_106832991635_100011262362 [0,2,0,0,0,0|1,0,0]=3 1156 B11R1.15 CNCC(=O)c1ccc(s1)Cl 2230a_106832991635_100000185135 [0,2,0,0,0,0|1,0,0]=3 1157 B11R1.15 CNCC(=O)c1ccc(s1)Cl 7a_106832991635_100000185135 [0,2,0,0,0,0|1,0,0]=3 1158 B11R1.15 COCC(=O)c1ccc(s1)C 34a_100138415774_100011262362 [0,2,0,0,0,0|1,0,0]=3 1159 B11R1.15 CSCC(=O)c1ccc(s1)Br 62a_100000185163_200000210301 [0,2,0,0,0,0|1,0,0]=3 1160 B11R1.15 CSCC(=O)c1ccc(s1)C 62a_100011262362_200000210301 [0,2,0,0,0,0|1,0,0]=3 1161 B11R1.15 CSCC(=O)c1ccc(s1)C 62a_200000210301_100011262362 [0,2,0,0,0,0|1,0,0]=3 1162 B11R1.15 CSCC(=O)c1ccc(s1)Cl 62a_100000185135_200000210301 [0,2,0,0,0,0|1,0,0]=3 1163 B11R1.15 CSCC(=O)c1ccc(s1)Cl 62a_200000210301_100000185135 [0,2,0,0,0,0|1,0,0]=3 1164 B11R1.15 Cc1ccc(s1)C(=O)CS[13CH3] 62a_100011262362_200025704644 [0,2,0,0,0,0|1,0,0]=3 1165 B11R1.15 Cc1ccc(s1)C(=O)CS[13CH3] 62a_200025704644_100011262362 [0,2,0,0,0,0|1,0,0]=3 1166 B11R1.15 [13CH3]SCC(=O)c1ccc(s1)Br 62a_100000185163_200025704644 [0,2,0,0,0,0|1,0,0]=3 1167 B11R1.15 [13CH3]SCC(=O)c1ccc(s1)Cl 62a_100000185135_200025704644 [0,2,0,0,0,0|1,0,0]=3 1168 B11R1.15 [13CH3]SCC(=O)c1ccc(s1)Cl 62a_200025704644_100000185135 [0,2,0,0,0,0|1,0,0]=3 1169 B11R1.29 CC(NCCF)c1ccc[nH]1 269862a_100000724931_100000183661 [0,2,0,0,0,0|1,0,1]=4 1170 B11R1.29 CC(NCCO)c1ccc[nH]1 269862a_100000210304_100000183661 [0,2,0,0,0,0|1,0,1]=4 1171 B11R1.29 CC=NNC(=O)c1ccc[nH]1 4a_100000018271_200000210099 [0,2,0,0,0,0|0,0,1]=3 1172 B11R1.29 CC=NNC(=O)c1ccco1 4a_100000185077_200000210099 [0,2,0,0,0,0|1,0,1]=4 1173 B11R1.29 CC=NNC(=O)c1cccs1 4a_100000184746_200000210099 [0,2,0,0,0,0|1,0,1]=4 1174 B11R1.29 CCCNC(C)c1ccc[nH]1 269862a_100020643023_100000183661 [0,2,0,0,0,0|1,0,1]=4 1175 B11R1.29 CCNCC(=O)c1cccs1 2230a_100015525214_100000211436 [0,2,0,0,0,0|1,0,0]=3 1176 B11R1.29 CCNCC(=O)c1ccsc1 2230a_100015525214_100011219462 [0,2,0,0,0,0|2,0,0]=4 1177 B11R1.29 CCNCC(=O)n1cccn1 2230a_100015525214_100000077511 [0,2,0,0,0,0|1,0,1]=4 1178 B11R1.29 CCNN=C(C)c1ccc[nH]1 4a_100000756455_100000183661 [0,2,0,0,0,0|1,0,0]=3 1179 B11R1.29 CCNN=C(C)c1ccco1 4a_100000756455_100000210965 [0,2,0,0,0,0|2,0,0]=4 1180 B11R1.29 CCNN=C(C)c1cccs1 4a_100000756455_100000185736 [0,2,0,0,0,0|2,0,0]=4 1181 B11R1.29 CCNN=C(C)c1ccn[nH]1 4a_100000756455_100000747476 [0,2,0,0,0,0|2,0,0]=4 1182 B11R1.29 CCNN=C(C)c1ncc[nH]1 4a_100000756455_100000718901 [0,2,0,0,0,0|2,0,0]=4 1183 B11R1.29 CCOCC(=O)c1ccsc1 34a_100121572206_100011219462 [0,2,0,0,0,0|2,0,0]=4 1184 B11R1.29 CCSCC(=O)c1ccc[nH]1 62a_100000210202_200011262396 [0,2,0,0,0,0|0,0,0]=2 1185 B11R1.29 CCSCC(=O)c1ccc[nH]1 62a_200011262396_100000210202 [0,2,0,0,0,0|0,0,0]=2 1186 B11R1.29 CCSCC(=O)c1ccco1 62a_100000210202_100000211439 [0,2,0,0,0,0|1,0,0]=3 1187 B11R1.29 CCSCC(=O)c1ccco1 62a_100000211439_100000210202 [0,2,0,0,0,0|1,0,0]=3 1188 B11R1.29 CCSCC(=O)c1cccs1 62a_100000210202_100000211436 [0,2,0,0,0,0|1,0,0]=3 1189 B11R1.29 CCSCC(=O)c1cccs1 62a_100000211436_100000210202 [0,2,0,0,0,0|1,0,0]=3 1190 B11R1.29 CCSCC(=O)c1ccsc1 62a_100000210202_100011219462 [0,2,0,0,0,0|2,0,0]=4 1191 B11R1.29 CCSCC(=O)c1ccsc1 62a_100011219462_100000210202 [0,2,0,0,0,0|2,0,0]=4 1192 B11R1.29 CCSCC(=O)c1nccs1 62a_100000210202_100000718653 [0,2,0,0,0,0|1,0,1]=4 1193 B11R1.29 CCSCC(=O)c1nccs1 62a_100000718653_100000210202 [0,2,0,0,0,0|1,0,1]=4 1194 B11R1.29 CCSCC(=O)n1cccn1 62a_100000077511_100000210202 [0,2,0,0,0,0|1,0,1]=4 1195 B11R1.29 CCSCC(=O)n1cccn1 62a_100000210202_100000077511 [0,2,0,0,0,0|1,0,1]=4 1196 B11R1.29 CNCCC(=O)c1cccs1 2230a_106832991635_100011290775 [0,2,0,0,0,0|1,0,0]=3 1197 B11R1.29 CNCCC(=O)c1cccs1 7a_106832991635_100011290775 [0,2,0,0,0,0|1,0,0]=3 1198 B11R1.29 CSCCC(=O)c1cccs1 62a_100011290775_200000210301 [0,2,0,0,0,0|1,0,0]=3 1199 B11R1.29 CSCCC(=O)c1cccs1 62a_200000210301_100011290775 [0,2,0,0,0,0|1,0,0]=3 1200 B11R1.29 O=C(CSCF)c1ccc[nH]1 62a_100015361967_200011262396 [0,2,0,0,0,0|0,0,0]=2 1201 B11R1.29 O=C(CSCF)c1ccc[nH]1 62a_200011262396_100015361967 [0,2,0,0,0,0|0,0,0]=2 1202 B11R1.29 O=C(CSCF)c1ccco1 62a_100000211439_100015361967 [0,2,0,0,0,0|1,0,0]=3 1203 B11R1.29 O=C(CSCF)c1ccco1 62a_100015361967_100000211439 [0,2,0,0,0,0|1,0,0]=3 1204 B11R1.29 O=C(CSCF)c1cccs1 62a_100000211436_100015361967 [0,2,0,0,0,0|1,0,0]=3 1205 B11R1.29 O=C(CSCF)c1cccs1 62a_100015361967_100000211436 [0,2,0,0,0,0|1,0,0]=3 1206 B11R1.29 O=C(CSCF)c1ccsc1 62a_100011219462_100015361967 [0,2,0,0,0,0|2,0,0]=4 1207 B11R1.29 O=C(CSCF)c1ccsc1 62a_100015361967_100011219462 [0,2,0,0,0,0|2,0,0]=4 1208 B11R1.29 O=C(CSCF)c1nccs1 62a_100000718653_100015361967 [0,2,0,0,0,0|1,0,1]=4 1209 B11R1.29 O=C(CSCF)c1nccs1 62a_100015361967_100000718653 [0,2,0,0,0,0|1,0,1]=4 1210 B11R1.29 O=C(CSCF)n1cccn1 62a_100000077511_100015361967 [0,2,0,0,0,0|1,0,1]=4 1211 B11R1.29 O=C(CSCF)n1cccn1 62a_100015361967_100000077511 [0,2,0,0,0,0|1,0,1]=4 1212 B11R1.29 [13CH3]SCCC(=O)c1cccs1 62a_100011290775_200025704644 [0,2,0,0,0,0|1,0,0]=3 1213 B11R1.29 [13CH3]SCCC(=O)c1cccs1 62a_200025704644_100011290775 [0,2,0,0,0,0|1,0,0]=3 1214 B11R1.77 CC(=O)CC(=O)c1ccc[nH]1 1458a_100000070787_200011262396 [0,2,0,0,0,0|0,0,0]=2 1215 B11R1.77 CC(=O)CC(=O)c1ccco1 1458a_100000070787_100000211439 [0,2,0,0,0,0|1,0,0]=3 1216 B11R1.77 CC(=O)CC(=O)c1cccs1 1458a_100000070787_100000211436 [0,2,0,0,0,0|1,0,0]=3 1217 B11R1.77 CC(=O)CC(=O)c1ccsc1 1458a_100000070787_100011219462 [0,2,0,0,0,0|2,0,0]=4 1218 B11R1.77 CC(=O)CC(=O)c1nccs1 1458a_100000070787_100000718653 [0,2,0,0,0,0|1,0,1]=4 1219 B11R1.77 CC(=O)CC(=O)n1cccn1 1458a_100000070787_100000077511 [0,2,0,0,0,0|1,0,1]=4 1220 B11R1.77 CN(C)CC(=O)c1ccc[nH]1 269982a_100102631434_200011262396 [0,2,0,0,0,0|0,0,0]=2 1221 B11R1.77 CN(C)CC(=O)c1ccco1 269982a_100102631434_100000211439 [0,2,0,0,0,0|1,0,0]=3 1222 B11R1.77 CN(C)CC(=O)c1cccs1 2230a_100102631434_100000211436 [0,2,0,0,0,0|1,0,0]=3 1223 B11R1.77 CN(C)CC(=O)c1cccs1 269982a_100102631434_100000211436 [0,2,0,0,0,0|1,0,0]=3 1224 B11R1.77 CN(C)CC(=O)c1ccsc1 2230a_100102631434_100011219462 [0,2,0,0,0,0|2,0,0]=4 1225 B11R1.77 CN(C)CC(=O)c1ccsc1 269982a_100102631434_100011219462 [0,2,0,0,0,0|2,0,0]=4 1226 B11R1.77 CN(C)CC(=O)c1nccs1 269982a_100102631434_100000718653 [0,2,0,0,0,0|1,0,1]=4 1227 B11R1.77 CN(C)CC(=O)n1cccn1 2230a_100102631434_100000077511 [0,2,0,0,0,0|1,0,1]=4 1228 B11R1.77 CN(C)CC(=O)n1cccn1 269982a_100102631434_100000077511 [0,2,0,0,0,0|1,0,1]=4 1229 B11R1.199 CCNC(C)c1cccn1C 269862a_100015525214_100000709046 [0,2,0,0,0,0|1,0,1]=4 1230 B11R1.199 CCOC(=O)c1[nH]ncc1O 271570a_203496583355_100102524952 [0,2,0,0,0,0|1,0,0]=3 1231 B11R1.199 CCOC(=O)c1ccsc1O 271570a_203496583355_100010219215 [0,2,0,0,0,0|2,0,0]=4 1232 B11R1.199 CCOC(=O)c1cscc1O 271570a_203496583355_100012353568 [0,2,0,0,0,0|2,0,0]=4 1233 B11R1.199 CCOC(=O)c1ncsc1O 271570a_203496583355_100010232029 [0,2,0,0,0,0|1,0,1]=4 1234 B11R1.199 CCOC(=O)c1ocnc1O 271570a_203496583355_100010260153 [0,2,0,0,0,0|2,0,0]=4 1235 B11R1.199 CCOC(=O)c1scnc1O 271570a_203496583355_100012038550 [0,2,0,0,0,0|2,0,0]=4 1236 B11R1.199 CNCC(=O)c1cccn1C 2230a_106832991635_200011262399 [0,2,0,0,0,0|0,0,0]=2 1237 B11R1.199 CNCC(=O)c1cccn1C 34a_100102657272_200011262399 [0,2,0,0,0,0|0,0,0]=2 1238 B11R1.199 CNCC(=O)c1cccn1C 7a_106832991635_200011262399 [0,2,0,0,0,0|0,0,0]=2 1239 B11R1.199 CNCC(=O)c1nccn1C 34a_100102657272_100010243886 [0,2,0,0,0,0|1,0,0]=3 1240 B11R1.199 CNCC(=O)c1nccn1C 7a_106832991635_100010243886 [0,2,0,0,0,0|1,0,0]=3 1241 B11R1.199 CNCC(=O)c1sccc1Br 2230a_106832991635_100000740827 [0,2,0,0,0,0|1,0,0]=3 1242 B11R1.199 CNCC(=O)c1sccc1Br 34a_100102657272_100000740827 [0,2,0,0,0,0|1,0,0]=3 1243 B11R1.199 CNCC(=O)c1sccc1Br 7a_106832991635_100000740827 [0,2,0,0,0,0|1,0,0]=3 1244 B11R1.199 COCC(=O)c1cccn1C 34a_100138415774_200011262399 [0,2,0,0,0,0|0,0,0]=2 1245 B11R1.199 COCC(=O)c1nccn1C 34a_100138415774_100010243886 [0,2,0,0,0,0|1,0,0]=3 1246 B11R1.199 COCC(=O)c1sccc1Br 34a_100138415774_100000740827 [0,2,0,0,0,0|1,0,0]=3 1247 B11R1.199 CSCC(=O)c1cccn1C 62a_200000210301_200011262399 [0,2,0,0,0,0|0,0,0]=2 1248 B11R1.199 CSCC(=O)c1cccn1C 62a_200011262399_200000210301 [0,2,0,0,0,0|0,0,0]=2 1249 B11R1.199 CSCC(=O)c1nccn1C 62a_100010243886_200000210301 [0,2,0,0,0,0|1,0,0]=3 1250 B11R1.199 CSCC(=O)c1nccn1C 62a_200000210301_100010243886 [0,2,0,0,0,0|1,0,0]=3 1251 B11R1.199 CSCC(=O)c1sccc1Br 62a_100000740827_200000210301 [0,2,0,0,0,0|1,0,0]=3 1252 B11R1.199 Cn1cccc1C(=O)CS[13CH3] 62a_200011262399_200025704644 [0,2,0,0,0,0|0,0,0]=2 1253 B11R1.199 Cn1cccc1C(=O)CS[13CH3] 62a_200025704644_200011262399 [0,2,0,0,0,0|0,0,0]=2 1254 B11R1.199 Cn1ccnc1C(=O)CS[13CH3] 62a_100010243886_200025704644 [0,2,0,0,0,0|1,0,0]=3 1255 B11R1.199 Cn1ccnc1C(=O)CS[13CH3] 62a_200025704644_100010243886 [0,2,0,0,0,0|1,0,0]=3 1256 B11R1.199 [13CH3]SCC(=O)c1sccc1Br 62a_100000740827_200025704644 [0,2,0,0,0,0|1,0,0]=3 1257 B11R1.44 C=Cc1ccc([nH]1)C(=O)OC 271570a_100011290941_100000687774 [0,2,0,0,0,0|1,0,0]=3 1258 B11R1.44 C=Cc1ccc(o1)C(=O)NC 271570a_100011290941_100000159859 [0,2,0,0,0,0|2,0,0]=4 1259 B11R1.44 C=Cc1ccc(o1)C(=O)OC 271570a_100011290941_100000148852 [0,2,0,0,0,0|2,0,0]=4 1260 B11R1.44 C=Cc1ccc(s1)C(=O)CC 271570a_100011290941_200011203577 [0,2,0,0,0,0|1,0,0]=3 1261 B11R1.44 C=Cc1ccc(s1)C(=O)NC 271570a_100011290941_200000155069 [0,2,0,0,0,0|2,0,0]=4 1262 B11R1.44 C=Cc1ccc(s1)C(=O)OC 271570a_100011290941_100000148107 [0,2,0,0,0,0|2,0,0]=4 1263 B11R1.44 C=Cc1coc(c1)C(=O)OC 271570a_100011290941_100009992624 [0,2,0,0,0,0|2,0,0]=4 1264 B11R1.44 C=Cc1csc(c1)C(=O)OC 271570a_100011290941_100009815473 [0,2,0,0,0,0|2,0,0]=4 1265 B11R1.44 C=Cc1ncc([nH]1)C(=O)OC 271570a_100011290941_106744473586 [0,2,0,0,0,0|2,0,0]=4 1266 B11R1.44 CCC(=O)c1ccc(s1)SC 62a_200000210301_200011203577 [0,2,0,0,0,0|1,0,0]=3 1267 B11R1.44 CCC(=O)c1ccc(s1)SC 62a_200011203577_200000210301 [0,2,0,0,0,0|1,0,0]=3 1268 B11R1.44 CCC(=O)c1ccc(s1)S[13CH3] 62a_200011203577_200025704644 [0,2,0,0,0,0|1,0,0]=3 1269 B11R1.44 CCC(=O)c1ccc(s1)S[13CH3] 62a_200025704644_200011203577 [0,2,0,0,0,0|1,0,0]=3 1270 B11R1.44 CNC(=O)c1ccc(o1)SC 62a_200000210301_100000159859 [0,2,0,0,0,0|2,0,0]=4 1271 B11R1.44 CNC(=O)c1ccc(o1)S[13CH3] 62a_200025704644_100000159859 [0,2,0,0,0,0|2,0,0]=4 1272 B11R1.44 CNC(=O)c1ccc(s1)SC 62a_200000155069_200000210301 [0,2,0,0,0,0|2,0,0]=4 1273 B11R1.44 CNC(=O)c1ccc(s1)SC 62a_200000210301_200000155069 [0,2,0,0,0,0|2,0,0]=4 1274 B11R1.44 CNC(=O)c1ccc(s1)S[13CH3] 62a_200000155069_200025704644 [0,2,0,0,0,0|2,0,0]=4 1275 B11R1.44 CNC(=O)c1ccc(s1)S[13CH3] 62a_200025704644_200000155069 [0,2,0,0,0,0|2,0,0]=4 1276 B11R1.44 COC(=O)c1cc(c[nH]1)SC 62a_200000210301_100000205823 [0,2,0,0,0,0|1,0,0]=3 1277 B11R1.44 COC(=O)c1cc(c[nH]1)S[13CH3] 62a_200025704644_100000205823 [0,2,0,0,0,0|1,0,0]=3 1278 B11R1.44 COC(=O)c1cc(co1)SC 62a_200000210301_100009992624 [0,2,0,0,0,0|2,0,0]=4 1279 B11R1.44 COC(=O)c1cc(co1)S[13CH3] 62a_200025704644_100009992624 [0,2,0,0,0,0|2,0,0]=4 1280 B11R1.44 COC(=O)c1cc(cs1)SC 62a_100009815473_200000210301 [0,2,0,0,0,0|2,0,0]=4 1281 B11R1.44 COC(=O)c1cc(cs1)SC 62a_200000210301_100009815473 [0,2,0,0,0,0|2,0,0]=4 1282 B11R1.44 COC(=O)c1cc(cs1)S[13CH3] 62a_100009815473_200025704644 [0,2,0,0,0,0|2,0,0]=4 1283 B11R1.44 COC(=O)c1cc(cs1)S[13CH3] 62a_200025704644_100009815473 [0,2,0,0,0,0|2,0,0]=4 1284 B11R1.44 COC(=O)c1ccc([nH]1)SC 62a_200000210301_100000687774 [0,2,0,0,0,0|1,0,0]=3 1285 B11R1.44 COC(=O)c1ccc([nH]1)S[13CH3] 62a_200025704644_100000687774 [0,2,0,0,0,0|1,0,0]=3 1286 B11R1.44 COC(=O)c1ccc(o1)SC 62a_200000210301_100000148852 [0,2,0,0,0,0|2,0,0]=4 1287 B11R1.44 COC(=O)c1ccc(o1)S[13CH3] 62a_200025704644_100000148852 [0,2,0,0,0,0|2,0,0]=4 1288 B11R1.44 COC(=O)c1ccc(s1)SC 62a_100000148107_200000210301 [0,2,0,0,0,0|2,0,0]=4 1289 B11R1.44 COC(=O)c1ccc(s1)SC 62a_200000210301_100000148107 [0,2,0,0,0,0|2,0,0]=4 1290 B11R1.44 COC(=O)c1ccc(s1)S[13CH3] 62a_100000148107_200025704644 [0,2,0,0,0,0|2,0,0]=4 1291 B11R1.44 COC(=O)c1ccc(s1)S[13CH3] 62a_200025704644_100000148107 [0,2,0,0,0,0|2,0,0]=4 1292 B11R1.44 COC(=O)c1cnc([nH]1)SC 62a_106744473586_200000210301 [0,2,0,0,0,0|2,0,0]=4 1293 B11R1.44 COC(=O)c1cnc([nH]1)SC 62a_200000210301_106744473586 [0,2,0,0,0,0|2,0,0]=4 1294 B11R1.44 COC(=O)c1cnc([nH]1)S[13CH3] 62a_106744473586_200025704644 [0,2,0,0,0,0|2,0,0]=4 1295 B11R1.44 COC(=O)c1cnc([nH]1)S[13CH3] 62a_200025704644_106744473586 [0,2,0,0,0,0|2,0,0]=4 1296 B11R1.44 CSc1c[nH]c(c1)C(=O)NN 62a_100000704317_200000210301 [0,2,0,0,0,0|2,0,0]=4 1297 B11R1.44 CSc1c[nH]c(c1)C(=O)NN 62a_200000210301_100000704317 [0,2,0,0,0,0|2,0,0]=4 1298 B11R1.44 [13CH3]Sc1c[nH]c(c1)C(=O)NN 62a_100000704317_200025704644 [0,2,0,0,0,0|2,0,0]=4 1299 B11R1.44 [13CH3]Sc1c[nH]c(c1)C(=O)NN 62a_200025704644_100000704317 [0,2,0,0,0,0|2,0,0]=4 1300 B11R1.225 COC(=O)c1cc(cn1C)O 271570a_203496583355_100000240937 [0,2,0,0,0,0|1,0,0]=3 1301 B11R1.225 COC(=O)c1cc(nn1C)O 271570a_203496583355_100014069049 [0,2,0,0,0,0|2,0,0]=4 1302 B11R1.225 COC(=O)c1nc(cn1C)O 271570a_203496583355_100010173829 [0,2,0,0,0,0|2,0,0]=4 1303 B11R1.225 COC(=O)c1oc(cc1C)O 271570a_203496583355_100000737583 [0,2,0,0,0,0|2,0,0]=4 1304 B11R1.225 COC(=O)c1sc(cc1F)O 271570a_203496583355_100010734428 [0,2,0,0,0,0|2,0,0]=4 1305 B11R1.225 COC(=O)c1sc(cc1N)O 271570a_203496583355_100010255210 [0,2,0,0,0,0|2,0,0]=4 1306 B11R1.225 COC(=O)c1sc(cc1O)C 271570a_203496583355_100009817204 [0,2,0,0,0,0|2,0,0]=4 1307 B11R1.226 COC(=O)c1cc(c(s1)O)C 271570a_203496583355_100011219469 [0,2,0,0,0,0|2,0,0]=4 1308 B11R1.226 COC(=O)c1cc(c(s1)O)N 271570a_203496583355_200010749435 [0,2,0,0,0,0|2,0,0]=4 1309 B11R1.314 CN(C)C(=O)c1ccc(s1)O 271570a_203496583355_200000159620 [0,2,0,0,0,0|2,0,0]=4 1310 B11R1.865 COC(=O)c1ccc(n1C)O 271570a_203496583355_100010124797 [0,2,0,0,0,0|1,0,0]=3 1311 B11R1.865 COC(=O)c1cnc(n1C)O 271570a_203496583355_100009816624 [0,2,0,0,0,0|2,0,0]=4 1312 B11R1.865 COC(=O)c1scc(c1C)O 271570a_203496583355_100010184805 [0,2,0,0,0,0|2,0,0]=4 1313 B11R1.865 COC(=O)c1scc(c1N)O 271570a_203496583355_100010201200 [0,2,0,0,0,0|2,0,0]=4 1314 B11R1.865 COC(=O)c1scc(c1O)C 271570a_203496583355_100000716566 [0,2,0,0,0,0|2,0,0]=4 1315 B11R1.865 COC(=O)c1scc(c1O)O 271570a_203496583355_100009812821 [0,2,0,0,0,0|2,0,0]=4 1316 B11R1.59 C=Cc1cc[nH]c1C(=O)OC 271570a_100011290941_100102525103 [0,2,0,0,0,0|1,0,0]=3 1317 B11R1.59 C=Cc1ccoc1C(=O)OC 271570a_100011290941_100012676306 [0,2,0,0,0,0|2,0,0]=4 1318 B11R1.59 C=Cc1ccsc1C(=O)OC 271570a_100011290941_100000730364 [0,2,0,0,0,0|2,0,0]=4 1319 B11R1.59 C=Cc1cn[nH]c1C(=O)OC 271570a_100011290941_100011934057 [0,2,0,0,0,0|2,0,0]=4 1320 B11R1.59 C=Cc1nc[nH]c1C(=O)OC 271570a_100011290941_100010290838 [0,2,0,0,0,0|2,0,0]=4 1321 B11R1.59 COC(=O)c1[nH]ccc1OC 34a_100000131702_200000210301 [0,2,0,0,0,0|1,0,0]=3 1322 B11R1.59 COC(=O)c1[nH]ccc1O[13CH3] 34a_100000131702_200025704644 [0,2,0,0,0,0|1,0,0]=3 1323 B11R1.59 COC(=O)c1[nH]ccc1SC 62a_200000210301_100102525103 [0,2,0,0,0,0|1,0,0]=3 1324 B11R1.59 COC(=O)c1[nH]ccc1S[13CH3] 62a_200025704644_100102525103 [0,2,0,0,0,0|1,0,0]=3 1325 B11R1.59 COC(=O)c1[nH]cnc1SC 62a_200000210301_100010290838 [0,2,0,0,0,0|2,0,0]=4 1326 B11R1.59 COC(=O)c1[nH]cnc1S[13CH3] 62a_200025704644_100010290838 [0,2,0,0,0,0|2,0,0]=4 1327 B11R1.59 COC(=O)c1[nH]ncc1SC 62a_200000210301_100012355743 [0,2,0,0,0,0|2,0,0]=4 1328 B11R1.59 COC(=O)c1[nH]ncc1S[13CH3] 62a_200025704644_100012355743 [0,2,0,0,0,0|2,0,0]=4 1329 B11R1.59 COC(=O)c1occc1SC 62a_200000210301_100012676306 [0,2,0,0,0,0|2,0,0]=4 1330 B11R1.59 COC(=O)c1occc1S[13CH3] 62a_200025704644_100012676306 [0,2,0,0,0,0|2,0,0]=4 1331 B11R1.59 COC(=O)c1sccc1OC 7a_100000043449_200000210301 [0,2,0,0,0,0|2,0,0]=4 1332 B11R1.59 COC(=O)c1sccc1O[13CH3] 7a_100000043449_200025704644 [0,2,0,0,0,0|2,0,0]=4 1333 B11R1.59 COC(=O)c1sccc1SC 62a_200000210301_100000730364 [0,2,0,0,0,0|2,0,0]=4 1334 B11R1.59 COC(=O)c1sccc1S[13CH3] 62a_200025704644_100000730364 [0,2,0,0,0,0|2,0,0]=4 1335 B11R1.875 COC(=O)c1c(cnn1C)O 271570a_203496583355_100010000105 [0,2,0,0,0,0|2,0,0]=4 1336 B9R1.3 Cc1cccc(c1O)N 271570a_203496583355_100000684715 [0,0,1,1,0,0|0,0,2]=4 1337 B9R1.3 Cn1cccc(c1=O)O 271570a_203496583355_100000687173 [0,0,1,1,0,0|2,0,0]=4 1338 B9R1.15 CCc1ccccc1O 271570a_203496583355_100011215823 [0,0,1,1,0,0|2,0,0]=4 1339 B9R1.15 CCc1ncccc1O 271570a_203496583355_100009877225 [0,0,1,1,0,0|2,0,0]=4 1340 B9R1.15 COc1ccccc1N 34a_100000185747_200000210301 [0,0,1,1,0,0|2,0,0]=4 1341 B9R1.15 COc1ccccc1N 7a_100000185747_200000210301 [0,0,1,1,0,0|2,0,0]=4 1342 B9R1.15 COc1ncccc1N 34a_100000746358_200000210301 [0,0,1,1,0,0|2,0,0]=4 1343 B9R1.15 CSc1ccccc1N 62a_100000210017_200000210301 [0,0,1,1,0,0|2,0,0]=4 1344 B9R1.15 CSc1ccccc1N 62a_200000210301_100000210017 [0,0,1,1,0,0|2,0,0]=4 1345 B9R1.15 CSc1ncccc1N 62a_100000688686_200000210301 [0,0,1,1,0,0|2,0,0]=4 1346 B9R1.15 CSc1ncccc1N 62a_200000210301_100000688686 [0,0,1,1,0,0|2,0,0]=4 1347 B9R1.15 [13CH3]Oc1ccccc1N 34a_100000185747_200025704644 [0,0,1,1,0,0|2,0,0]=4 1348 B9R1.15 [13CH3]Oc1ccccc1N 7a_100000185747_200025704644 [0,0,1,1,0,0|2,0,0]=4 1349 B9R1.15 [13CH3]Oc1ncccc1N 34a_100000746358_200025704644 [0,0,1,1,0,0|2,0,0]=4 1350 B9R1.15 [13CH3]Sc1ccccc1N 62a_100000210017_200025704644 [0,0,1,1,0,0|2,0,0]=4 1351 B9R1.15 [13CH3]Sc1ccccc1N 62a_200025704644_100000210017 [0,0,1,1,0,0|2,0,0]=4 1352 B9R1.15 [13CH3]Sc1ncccc1N 62a_100000688686_200025704644 [0,0,1,1,0,0|2,0,0]=4 1353 B9R1.15 [13CH3]Sc1ncccc1N 62a_200025704644_100000688686 [0,0,1,1,0,0|2,0,0]=4 1354 B9R1.2 CCc1cccc(c1)O 271570a_203496583355_100000684523 [0,0,1,1,0,0|2,0,0]=4 1355 B9R1.2 CCc1cccc(n1)O 271570a_203496583355_100009856026 [0,0,1,1,0,0|2,0,0]=4 1356 B9R1.2 COc1cccc(c1)N 34a_100000210217_200000210301 [0,0,1,1,0,0|2,0,0]=4 1357 B9R1.2 CSc1cccc(c1)N 62a_100000210019_200000210301 [0,0,1,1,0,0|2,0,0]=4 1358 B9R1.2 CSc1cccc(c1)N 62a_200000210301_100000210019 [0,0,1,1,0,0|2,0,0]=4 1359 B9R1.2 CSc1cccc(n1)N 62a_100000740741_200000210301 [0,0,1,1,0,0|2,0,0]=4 1360 B9R1.2 CSc1cccc(n1)N 62a_200000210301_100000740741 [0,0,1,1,0,0|2,0,0]=4 1361 B9R1.2 [13CH3]Oc1cccc(c1)N 34a_100000210217_200025704644 [0,0,1,1,0,0|2,0,0]=4 1362 B9R1.2 [13CH3]Sc1cccc(c1)N 62a_100000210019_200025704644 [0,0,1,1,0,0|2,0,0]=4 1363 B9R1.2 [13CH3]Sc1cccc(c1)N 62a_200025704644_100000210019 [0,0,1,1,0,0|2,0,0]=4 1364 B9R1.2 [13CH3]Sc1cccc(n1)N 62a_100000740741_200025704644 [0,0,1,1,0,0|2,0,0]=4 1365 B9R1.2 [13CH3]Sc1cccc(n1)N 62a_200025704644_100000740741 [0,0,1,1,0,0|2,0,0]=4 1366 B9R1.21 C=Cc1ccc(s1)CC 271570a_100011290941_100009844052 [0,0,1,1,0,0|1,1,0]=4 1367 B9R1.14 C=Cc1sccc1CC 271570a_100011290941_200009875468 [0,0,1,1,0,0|2,0,0]=4 1368 B11R2.2 C1=C(CCC1)c2ccco2 271570a_100000089523_100009814098 [0,1,0,1,0,0|2,0,0]=4 1369 B11R2.2 C1=C(CCC1)c2cccs2 271570a_100000089523_100011215356 [0,1,0,1,0,0|2,0,0]=4 1370 B11R2.2 C1=C(CCC1)c2ncc[nH]2 271570a_100000089523_100025796157 [0,1,0,1,0,0|2,0,0]=4 1371 B11R2.2 C1=C(CCO1)c2ccco2 271570a_100000118173_100009814098 [0,1,0,1,0,0|1,0,1]=4 1372 B11R2.2 C1=C(CCO1)c2cccs2 271570a_100000118173_100011215356 [0,1,0,1,0,0|1,0,1]=4 1373 B11R2.2 C1=C(CCO1)c2ncc[nH]2 271570a_100000118173_100025796157 [0,1,0,1,0,0|1,0,1]=4 1374 B11R2.2 C1=C(COC1)c2ccco2 271570a_100009872500_100009814098 [0,1,0,1,0,0|2,0,0]=4 1375 B11R2.2 C1=C(COC1)c2cccs2 271570a_100009872500_100011215356 [0,1,0,1,0,0|2,0,0]=4 1376 B11R2.2 C1=C(COC1)c2ncc[nH]2 271570a_100009872500_100025796157 [0,1,0,1,0,0|2,0,0]=4 1377 B11R2.1031 C=C(c1ccco1)C2CC2 271570a_100010895485_100009814098 [0,1,0,1,0,0|2,0,0]=4 1378 B11R2.1031 C=C(c1cccs1)C2CC2 271570a_100010895485_100011215356 [0,1,0,1,0,0|2,0,0]=4 1379 B11R2.1031 C=C(c1ncc[nH]1)C2CC2 271570a_100010895485_100025796157 [0,1,0,1,0,0|2,0,0]=4 1380 B11R2.66 O=C1OCc2c1sc(c2)O 271570a_203496583355_100010986393 [0,1,0,1,0,0|2,0,0]=4 1381 B9R1.6 C=C(C)c1ccccc1 271570a_100000694244_100000210277 [1,0,0,0,0,1|2,0,0]=4 1382 B9R1.6 C=C(C)c1ccccn1 271570a_100000694244_100011216584 [1,0,0,0,0,1|1,0,1]=4 1383 B9R1.6 C=C(C)c1cccnc1 271570a_100000694244_100000752921 [1,0,0,0,0,1|1,0,1]=4 1384 B9R1.6 C=C(C)c1cccnn1 271570a_100000694244_100016991348 [1,0,0,0,0,1|1,0,1]=4 1385 B9R1.6 C=C(C)c1ccncc1 271570a_100000694244_100000035832 [1,0,0,0,0,1|2,0,0]=4 1386 B9R1.6 C=C(C)c1ccncn1 271570a_100000694244_100000703185 [1,0,0,0,0,1|1,0,1]=4 1387 B9R1.6 C=C(C)c1cnccn1 271570a_100000694244_100000758340 [1,0,0,0,0,1|1,0,1]=4 1388 B9R1.6 C=C(C)c1ncccn1 271570a_100000694244_100000211032 [1,0,0,0,0,1|1,0,1]=4 1389 B9R1.6 CC(=O)c1ccccc1 1458a_100000185807_200000210301 [1,0,0,0,0,1|1,0,0]=3 1390 B9R1.6 [13CH3]C(=O)c1ccccc1 1458a_100000185807_200025704644 [1,0,0,0,0,1|1,0,0]=3 1391 B9R1.8 CC=Cc1ccccc1 271570a_100016259895_100000210277 [1,0,0,0,0,1|1,0,1]=4 1392 B9R1.8 CC=Cc1ccccn1 271570a_100016259895_100011216584 [1,0,0,0,0,1|0,0,2]=4 1393 B9R1.8 CC=Cc1cccnc1 271570a_100016259895_100000752921 [1,0,0,0,0,1|0,0,2]=4 1394 B9R1.8 CC=Cc1cccnn1 271570a_100016259895_100016991348 [1,0,0,0,0,1|0,0,2]=4 1395 B9R1.8 CC=Cc1ccncc1 271570a_100016259895_100000035832 [1,0,0,0,0,1|1,0,1]=4 1396 B9R1.8 CC=Cc1ccncn1 271570a_100016259895_100000703185 [1,0,0,0,0,1|0,0,2]=4 1397 B9R1.8 CC=Cc1cnccn1 271570a_100016259895_100000758340 [1,0,0,0,0,1|0,0,2]=4 1398 B9R1.8 CC=Cc1ncccn1 271570a_100016259895_100000211032 [1,0,0,0,0,1|0,0,2]=4 1399 B9R1.8 CCNc1ccccc1 34a_100000106764_100000210202 [1,0,0,0,0,1|2,0,0]=4 1400 B9R1.8 CCNc1cccnn1 27a_100015525214_100016991348 [1,0,0,0,0,1|1,0,1]=4 1401 B9R1.8 CCNc1ccncn1 27a_100015525214_100000703185 [1,0,0,0,0,1|1,0,1]=4 1402 B9R1.8 CCNc1cnccn1 27a_100015525214_100000211759 [1,0,0,0,0,1|1,0,1]=4 1403 B9R1.8 CCNc1ncccn1 27a_100015525214_100000211032 [1,0,0,0,0,1|1,0,1]=4 1404 B9R1.8 CCOc1ccccc1 34a_100000210340_100000210202 [1,0,0,0,0,1|2,0,0]=4 1405 B9R1.8 CCOc1ccccc1 7a_100000210340_100000210202 [1,0,0,0,0,1|2,0,0]=4 1406 B9R1.8 CCOc1cccnc1 34a_100000210849_100000210202 [1,0,0,0,0,1|1,0,1]=4 1407 B9R1.8 CCOc1cccnc1 7a_100000210849_100000210202 [1,0,0,0,0,1|1,0,1]=4 1408 B9R1.8 CCOc1ccncc1 34a_100000212176_100000210202 [1,0,0,0,0,1|2,0,0]=4 1409 B9R1.8 CCSc1ccccc1 62a_100000210202_100000041952 [1,0,0,0,0,1|2,0,0]=4 1410 B9R1.8 CCSc1ccccc1 62a_100000719477_100000210202 [1,0,0,0,0,1|2,0,0]=4 1411 B9R1.8 CCSc1ccccn1 62a_100000210202_100011216584 [1,0,0,0,0,1|1,0,1]=4 1412 B9R1.8 CCSc1ccccn1 62a_100011216584_100000210202 [1,0,0,0,0,1|1,0,1]=4 1413 B9R1.8 CCSc1cccnc1 62a_100000210063_100000210202 [1,0,0,0,0,1|1,0,1]=4 1414 B9R1.8 CCSc1cccnc1 62a_100000210202_100000210063 [1,0,0,0,0,1|1,0,1]=4 1415 B9R1.8 CCSc1cccnn1 62a_100000210202_100016991348 [1,0,0,0,0,1|1,0,1]=4 1416 B9R1.8 CCSc1cccnn1 62a_100016991348_100000210202 [1,0,0,0,0,1|1,0,1]=4 1417 B9R1.8 CCSc1ccncc1 62a_100000210202_100000728582 [1,0,0,0,0,1|2,0,0]=4 1418 B9R1.8 CCSc1ccncc1 62a_100000728582_100000210202 [1,0,0,0,0,1|2,0,0]=4 1419 B9R1.8 CCSc1ccncn1 62a_100000210202_100000703185 [1,0,0,0,0,1|1,0,1]=4 1420 B9R1.8 CCSc1ccncn1 62a_100000703185_100000210202 [1,0,0,0,0,1|1,0,1]=4 1421 B9R1.8 CCSc1cnccn1 62a_100000210202_100000211759 [1,0,0,0,0,1|1,0,1]=4 1422 B9R1.8 CCSc1cnccn1 62a_100000211759_100000210202 [1,0,0,0,0,1|1,0,1]=4 1423 B9R1.8 CCSc1ncccn1 62a_100000210202_100000211032 [1,0,0,0,0,1|1,0,1]=4 1424 B9R1.8 CCSc1ncccn1 62a_100000211032_100000210202 [1,0,0,0,0,1|1,0,1]=4 1425 B11R1.40 CCC(=O)C[n+]1ccccc1 1458a_200000086051_100000210202 [0,0,0,0,0,2|2,0,0]=4 1426 B11R1.40 CCC(=O)Cc1ccccc1 1458a_100000210414_100015291786 [0,0,0,0,0,2|1,0,0]=3 1427 B11R1.40 CCC(=O)Cc1ccccn1 1458a_100000210414_100000721315 [0,0,0,0,0,2|0,0,1]=3 1428 B11R1.40 CCC(=O)Cc1ccccn1 1458a_100000233486_100000210202 [0,0,0,0,0,2|0,0,1]=3 1429 B11R1.40 CCC(=O)Cc1cccnc1 1458a_100000210414_100000733263 [0,0,0,0,0,2|0,0,1]=3 1430 B11R1.40 CCC(=O)Cc1cccnc1 1458a_100000737805_100000210202 [0,0,0,0,0,2|0,0,1]=3 1431 B11R1.40 CCC(=O)Cc1cccnn1 1458a_100000210414_100016990269 [0,0,0,0,0,2|0,0,1]=3 1432 B11R1.40 CCC(=O)Cc1ccncc1 1458a_100000210414_100000705612 [0,0,0,0,0,2|1,0,0]=3 1433 B11R1.40 CCC(=O)Cc1cnccn1 1458a_100000210414_100016995436 [0,0,0,0,0,2|0,0,1]=3 1434 B11R1.40 CCC(=O)Cc1cncnc1 1458a_100000210414_100015196519 [0,0,0,0,0,2|1,0,1]=4 1435 B11R1.40 CCC(=O)Cc1cncnc1 1458a_100000721575_100000210202 [0,0,0,0,0,2|1,0,1]=4 1436 B11R1.40 CCC(=O)Cc1ncccn1 1458a_100000210414_100000703007 [0,0,0,0,0,2|0,0,1]=3 1437 B11R1.40 CCC(=O)Nc1ccccc1 11a_100000106764_100000210414 [0,0,0,0,0,2|1,0,0]=3 1438 B11R1.40 CCC(=O)Nc1ccccc1 1626a_100000106764_100000210414 [0,0,0,0,0,2|1,0,0]=3 1439 B11R1.40 CCC(=O)Nc1ccccc1 22a_100000106764_100000210414 [0,0,0,0,0,2|1,0,0]=3 1440 B11R1.40 CCC(=O)Nc1ccccc1 527a_100000106764_100000210414 [0,0,0,0,0,2|1,0,0]=3 1441 B11R1.40 CNC(=O)Cc1ccccn1 11a_106832991635_100000233486 [0,0,0,0,0,2|1,0,1]=4 1442 B11R1.40 CNC(=O)Cc1cccnc1 11a_106832991635_100000737805 [0,0,0,0,0,2|1,0,1]=4 1443 B11R1.40 CNC(=O)Cc1cccnc1 240690a_100102657272_100000737805 [0,0,0,0,0,2|1,0,1]=4 1444 B11R1.40 CNC(=O)Cc1cccnc1 527a_100102657272_100000737805 [0,0,0,0,0,2|1,0,1]=4 1445 B11R1.40 CNC(=O)Cc1ccncc1 11a_106832991635_100011201483 [0,0,0,0,0,2|2,0,0]=4 1446 B11R1.40 CNC(=O)Cc1ccncc1 240690a_100102657272_100011201483 [0,0,0,0,0,2|2,0,0]=4 1447 B11R1.40 CNC(=O)Cc1cnccn1 11a_106832991635_100000726051 [0,0,0,0,0,2|1,0,1]=4 1448 B11R1.40 CNC(=O)Cc1cnccn1 240690a_100102657272_100000726051 [0,0,0,0,0,2|1,0,1]=4 1449 B11R1.40 CNC(=O)Cc1cnccn1 527a_100102657272_100000726051 [0,0,0,0,0,2|1,0,1]=4 1450 B11R1.40 CNC(=O)Nc1ccccc1 2430a_100000106764_100102657272 [0,0,0,0,0,2|2,0,0]=4 1451 B11R1.40 O=C(CF)Cc1ccccn1 1458a_100000233486_100015361967 [0,0,0,0,0,2|1,0,1]=4 1452 B11R1.40 O=C(CF)Cc1cccnc1 1458a_100000737805_100015361967 [0,0,0,0,0,2|1,0,1]=4 1453 B11R1.40 O=C(CO)Cc1ccccc1 1458a_100000210174_100015291786 [0,0,0,0,0,2|2,0,0]=4 1454 B11R1.40 O=C(CO)Cc1ccccn1 1458a_100000210174_100000721315 [0,0,0,0,0,2|1,0,1]=4 1455 B11R1.40 O=C(CO)Cc1cccnc1 1458a_100000210174_100000733263 [0,0,0,0,0,2|1,0,1]=4 1456 B11R1.40 O=C(CO)Cc1cccnn1 1458a_100000210174_100016990269 [0,0,0,0,0,2|1,0,1]=4 1457 B11R1.40 O=C(CO)Cc1ccncc1 1458a_100000210174_100000705612 [0,0,0,0,0,2|2,0,0]=4 1458 B11R1.40 O=C(CO)Cc1cnccn1 1458a_100000210174_100016995436 [0,0,0,0,0,2|1,0,1]=4 1459 B11R1.40 O=C(CO)Cc1ncccn1 1458a_100000210174_100000703007 [0,0,0,0,0,2|1,0,1]=4 1460 B11R1.40 O=C(CO)Nc1ccccc1 22a_100000106764_100000210174 [0,0,0,0,0,2|2,0,0]=4 1461 B11R1.40 O=C(CO)Nc1ccccc1 527a_100000106764_100000210174 [0,0,0,0,0,2|2,0,0]=4 1462 B11R1.25 C=CC(=O)NCc1ccc[nH]1 240690a_100000764082_200121576911 [0,0,0,0,0,2|0,0,2]=4 1463 B11R1.25 CCC(=O)C=Cc1c[nH]cn1 1458a_100102678534_100000210202 [0,0,0,0,0,2|1,0,1]=4 1464 B11R1.25 CCC(=O)C=Cc1cccs1 1458a_100000182767_100000210202 [0,0,0,0,0,2|1,0,0]=3 1465 B11R1.25 CCC(=O)C=Cc1ccoc1 1458a_100000238621_100000210202 [0,0,0,0,0,2|2,0,0]=4 1466 B11R1.25 CCC(=O)C=Cc1ccsc1 1458a_100000698588_100000210202 [0,0,0,0,0,2|2,0,0]=4 1467 B11R1.25 CCC(=O)C=Cc1cscn1 1458a_200000747928_100000210202 [0,0,0,0,0,2|1,0,1]=4 1468 B11R1.25 CCC(=O)C=Cc1nccs1 1458a_100102558208_100000210202 [0,0,0,0,0,2|1,0,1]=4 1469 B11R1.25 CCC(=O)C=Cc1nccs1 6a_100000750902_100000211110 [0,0,0,0,0,2|1,0,1]=4 1470 B11R1.25 CCC(=O)CCc1c[nH]cn1 1458a_100000210414_100020628418 [0,0,0,0,0,2|1,0,1]=4 1471 B11R1.25 CCC(=O)CCc1cc[nH]c1 1458a_200000093579_100000210202 [0,0,0,0,0,2|2,0,0]=4 1472 B11R1.25 CCC(=O)CCc1ccc[nH]1 1458a_200011998680_100000210202 [0,0,0,0,0,2|0,0,0]=2 1473 B11R1.25 CCC(=O)CCc1ccco1 1458a_100000185103_100000210202 [0,0,0,0,0,2|1,0,0]=3 1474 B11R1.25 CCC(=O)CCc1cccs1 1458a_100000185280_100000210202 [0,0,0,0,0,2|1,0,0]=3 1475 B11R1.25 CCC(=O)CCc1cccs1 1458a_100000210414_100000748579 [0,0,0,0,0,2|1,0,0]=3 1476 B11R1.25 CCC(=O)CCc1ccsc1 1458a_100000195497_100000210202 [0,0,0,0,0,2|2,0,0]=4 1477 B11R1.25 CCC(=O)CCc1cnc[nH]1 1458a_100000044180_100000210202 [0,0,0,0,0,2|1,0,0]=3 1478 B11R1.25 CCC(=O)CCc1cncs1 1458a_100012184922_100000210202 [0,0,0,0,0,2|2,0,0]=4 1479 B11R1.25 CCC(=O)CCc1ncc[nH]1 1458a_100000722789_100000210202 [0,0,0,0,0,2|1,0,0]=3 1480 B11R1.25 CCC(=O)CCc1nccs1 1458a_100000742873_100000210202 [0,0,0,0,0,2|1,0,1]=4 1481 B11R1.25 CCC(=O)CCn1cccc1 1458a_100000210414_200000035178 [0,0,0,0,0,2|2,0,0]=4 1482 B11R1.25 CCC(=O)CCn1cccc1 1458a_100011196273_100000210202 [0,0,0,0,0,2|2,0,0]=4 1483 B11R1.25 CCC(=O)CCn1cccn1 1458a_100000210414_100000685285 [0,0,0,0,0,2|1,0,1]=4 1484 B11R1.25 CCC(=O)CCn1cccn1 1458a_100000242649_100000210202 [0,0,0,0,0,2|1,0,1]=4 1485 B11R1.25 CCC(=O)COc1ccsc1 7a_100000106738_100000747405 [0,0,0,0,0,2|2,0,0]=4 1486 B11R1.25 CCC(=O)CSc1c[nH]cn1 62a_100000747405_100000756875 [0,0,0,0,0,2|1,0,1]=4 1487 B11R1.25 CCC(=O)CSc1c[nH]cn1 62a_100000756875_100000747405 [0,0,0,0,0,2|1,0,1]=4 1488 B11R1.25 CCC(=O)CSc1cc[nH]n1 62a_100000062575_100000747405 [0,0,0,0,0,2|1,0,1]=4 1489 B11R1.25 CCC(=O)CSc1cc[nH]n1 62a_100000747405_100000062575 [0,0,0,0,0,2|1,0,1]=4 1490 B11R1.25 CCC(=O)CSc1ccco1 62a_100000747405_100009814098 [0,0,0,0,0,2|1,0,0]=3 1491 B11R1.25 CCC(=O)CSc1ccco1 62a_100009814098_100000747405 [0,0,0,0,0,2|1,0,0]=3 1492 B11R1.25 CCC(=O)CSc1cccs1 62a_100000747405_100011215356 [0,0,0,0,0,2|1,0,0]=3 1493 B11R1.25 CCC(=O)CSc1cccs1 62a_100011215356_100000747405 [0,0,0,0,0,2|1,0,0]=3 1494 B11R1.25 CCC(=O)CSc1ccoc1 62a_100000747405_100011215275 [0,0,0,0,0,2|2,0,0]=4 1495 B11R1.25 CCC(=O)CSc1ccoc1 62a_100011215275_100000747405 [0,0,0,0,0,2|2,0,0]=4 1496 B11R1.25 CCC(=O)CSc1ccon1 62a_100000747405_100009818083 [0,0,0,0,0,2|1,0,1]=4 1497 B11R1.25 CCC(=O)CSc1ccon1 62a_100009818083_100000747405 [0,0,0,0,0,2|1,0,1]=4 1498 B11R1.25 CCC(=O)CSc1ccsc1 62a_100000738268_100000747405 [0,0,0,0,0,2|2,0,0]=4 1499 B11R1.25 CCC(=O)CSc1ccsc1 62a_100000747405_100000738268 [0,0,0,0,0,2|2,0,0]=4 1500 B11R1.25 CCC(=O)CSc1ccsn1 62a_100000747405_100009818082 [0,0,0,0,0,2|1,0,1]=4 1501 B11R1.25 CCC(=O)CSc1ccsn1 62a_100009818082_100000747405 [0,0,0,0,0,2|1,0,1]=4 1502 B11R1.25 CCC(=O)CSc1cnco1 62a_100000747405_100020591547 [0,0,0,0,0,2|2,0,0]=4 1503 B11R1.25 CCC(=O)CSc1cnco1 62a_100020591547_100000747405 [0,0,0,0,0,2|2,0,0]=4 1504 B11R1.25 CCC(=O)CSc1cncs1 62a_100000747405_100011934649 [0,0,0,0,0,2|2,0,0]=4 1505 B11R1.25 CCC(=O)CSc1cncs1 62a_100011934649_100000747405 [0,0,0,0,0,2|2,0,0]=4 1506 B11R1.25 CCC(=O)CSc1cscn1 62a_100000747405_100000751502 [0,0,0,0,0,2|1,0,1]=4 1507 B11R1.25 CCC(=O)CSc1cscn1 62a_100000751502_100000747405 [0,0,0,0,0,2|1,0,1]=4 1508 B11R1.25 CCC(=O)CSc1ncc[nH]1 62a_100000747405_100025796157 [0,0,0,0,0,2|1,0,0]=3 1509 B11R1.25 CCC(=O)CSc1ncc[nH]1 62a_100025796157_100000747405 [0,0,0,0,0,2|1,0,0]=3 1510 B11R1.25 CCC(=O)CSc1ncco1 62a_100000747405_100011787736 [0,0,0,0,0,2|1,0,1]=4 1511 B11R1.25 CCC(=O)CSc1ncco1 62a_100011787736_100000747405 [0,0,0,0,0,2|1,0,1]=4 1512 B11R1.25 CCC(=O)CSc1nccs1 62a_100000211983_100000747405 [0,0,0,0,0,2|1,0,1]=4 1513 B11R1.25 CCC(=O)CSc1nccs1 62a_100000747405_100000211983 [0,0,0,0,0,2|1,0,1]=4 1514 B11R1.25 CCC(=O)NCc1c[nH]cn1 11a_100000758547_100000210414 [0,0,0,0,0,2|1,0,1]=4 1515 B11R1.25 CCC(=O)NCc1c[nH]cn1 240690a_100000758547_100000210414 [0,0,0,0,0,2|1,0,1]=4 1516 B11R1.25 CCC(=O)NCc1c[nH]cn1 527a_100000758547_100000210414 [0,0,0,0,0,2|1,0,1]=4 1517 B11R1.25 CCC(=O)NCc1cc[nH]n1 11a_100000739516_100000210414 [0,0,0,0,0,2|1,0,1]=4 1518 B11R1.25 CCC(=O)NCc1cc[nH]n1 240690a_100000739516_100000210414 [0,0,0,0,0,2|1,0,1]=4 1519 B11R1.25 CCC(=O)NCc1cc[nH]n1 527a_100000739516_100000210414 [0,0,0,0,0,2|1,0,1]=4 1520 B11R1.25 CCC(=O)NCc1ccc[nH]1 11a_100000764082_100000210414 [0,0,0,0,0,2|0,0,0]=2 1521 B11R1.25 CCC(=O)NCc1ccc[nH]1 240690a_100000764082_100000210414 [0,0,0,0,0,2|0,0,0]=2 1522 B11R1.25 CCC(=O)NCc1ccc[nH]1 527a_100000764082_100000210414 [0,0,0,0,0,2|0,0,0]=2 1523 B11R1.25 CCC(=O)NCc1ccco1 11a_100000185738_100000210414 [0,0,0,0,0,2|1,0,0]=3 1524 B11R1.25 CCC(=O)NCc1ccco1 1626a_100000185738_100000210414 [0,0,0,0,0,2|1,0,0]=3 1525 B11R1.25 CCC(=O)NCc1ccco1 240690a_100000185738_100000210414 [0,0,0,0,0,2|1,0,0]=3 1526 B11R1.25 CCC(=O)NCc1ccco1 527a_100000185738_100000210414 [0,0,0,0,0,2|1,0,0]=3 1527 B11R1.25 CCC(=O)NCc1cccs1 11a_100000211653_100000210414 [0,0,0,0,0,2|1,0,0]=3 1528 B11R1.25 CCC(=O)NCc1cccs1 1626a_100000211653_100000210414 [0,0,0,0,0,2|1,0,0]=3 1529 B11R1.25 CCC(=O)NCc1cccs1 240690a_100000211653_100000210414 [0,0,0,0,0,2|1,0,0]=3 1530 B11R1.25 CCC(=O)NCc1cccs1 527a_100000211653_100000210414 [0,0,0,0,0,2|1,0,0]=3 1531 B11R1.25 CCC(=O)NCc1ccoc1 11a_100015206860_100000210414 [0,0,0,0,0,2|2,0,0]=4 1532 B11R1.25 CCC(=O)NCc1ccoc1 1626a_100015206860_100000210414 [0,0,0,0,0,2|2,0,0]=4 1533 B11R1.25 CCC(=O)NCc1ccoc1 240690a_100015206860_100000210414 [0,0,0,0,0,2|2,0,0]=4 1534 B11R1.25 CCC(=O)NCc1ccoc1 527a_100015206860_100000210414 [0,0,0,0,0,2|2,0,0]=4 1535 B11R1.25 CCC(=O)NCc1ccon1 11a_100000688301_100000210414 [0,0,0,0,0,2|1,0,1]=4 1536 B11R1.25 CCC(=O)NCc1ccon1 240690a_100000688301_100000210414 [0,0,0,0,0,2|1,0,1]=4 1537 B11R1.25 CCC(=O)NCc1ccon1 527a_100000688301_100000210414 [0,0,0,0,0,2|1,0,1]=4 1538 B11R1.25 CCC(=O)NCc1ccsc1 11a_100000186416_100000210414 [0,0,0,0,0,2|2,0,0]=4 1539 B11R1.25 CCC(=O)NCc1ccsc1 1626a_100000186416_100000210414 [0,0,0,0,0,2|2,0,0]=4 1540 B11R1.25 CCC(=O)NCc1ccsc1 240690a_100000186416_100000210414 [0,0,0,0,0,2|2,0,0]=4 1541 B11R1.25 CCC(=O)NCc1ccsc1 527a_100000186416_100000210414 [0,0,0,0,0,2|2,0,0]=4 1542 B11R1.25 CCC(=O)NCc1cnco1 11a_100020634212_100000210414 [0,0,0,0,0,2|2,0,0]=4 1543 B11R1.25 CCC(=O)NCc1cnco1 240690a_100020634212_100000210414 [0,0,0,0,0,2|2,0,0]=4 1544 B11R1.25 CCC(=O)NCc1cnco1 527a_100020634212_100000210414 [0,0,0,0,0,2|2,0,0]=4 1545 B11R1.25 CCC(=O)NCc1cncs1 11a_100016987365_100000210414 [0,0,0,0,0,2|2,0,0]=4 1546 B11R1.25 CCC(=O)NCc1cncs1 240690a_100016987365_100000210414 [0,0,0,0,0,2|2,0,0]=4 1547 B11R1.25 CCC(=O)NCc1cncs1 527a_100016987365_100000210414 [0,0,0,0,0,2|2,0,0]=4 1548 B11R1.25 CCC(=O)NCc1cocn1 11a_100015188801_100000210414 [0,0,0,0,0,2|1,0,1]=4 1549 B11R1.25 CCC(=O)NCc1cocn1 240690a_100015188801_100000210414 [0,0,0,0,0,2|1,0,1]=4 1550 B11R1.25 CCC(=O)NCc1cocn1 527a_100015188801_100000210414 [0,0,0,0,0,2|1,0,1]=4 1551 B11R1.25 CCC(=O)NCc1cscn1 11a_100015185402_100000210414 [0,0,0,0,0,2|1,0,1]=4 1552 B11R1.25 CCC(=O)NCc1cscn1 1626a_100015185402_100000210414 [0,0,0,0,0,2|1,0,1]=4 1553 B11R1.25 CCC(=O)NCc1cscn1 240690a_100015185402_100000210414 [0,0,0,0,0,2|1,0,1]=4 1554 B11R1.25 CCC(=O)NCc1cscn1 527a_100015185402_100000210414 [0,0,0,0,0,2|1,0,1]=4 1555 B11R1.25 CCC(=O)NCc1ncc[nH]1 11a_100000754540_100000210414 [0,0,0,0,0,2|1,0,0]=3 1556 B11R1.25 CCC(=O)NCc1ncc[nH]1 240690a_100000754540_100000210414 [0,0,0,0,0,2|1,0,0]=3 1557 B11R1.25 CCC(=O)NCc1ncc[nH]1 527a_100000754540_100000210414 [0,0,0,0,0,2|1,0,0]=3 1558 B11R1.25 CCC(=O)NCc1ncco1 11a_100016994969_100000210414 [0,0,0,0,0,2|1,0,1]=4 1559 B11R1.25 CCC(=O)NCc1ncco1 1626a_100016994969_100000210414 [0,0,0,0,0,2|1,0,1]=4 1560 B11R1.25 CCC(=O)NCc1ncco1 240690a_100016994969_100000210414 [0,0,0,0,0,2|1,0,1]=4 1561 B11R1.25 CCC(=O)NCc1ncco1 527a_100016994969_100000210414 [0,0,0,0,0,2|1,0,1]=4 1562 B11R1.25 CCC(=O)NCc1nccs1 11a_100000740555_100000210414 [0,0,0,0,0,2|1,0,1]=4 1563 B11R1.25 CCC(=O)NCc1nccs1 1626a_100000740555_100000210414 [0,0,0,0,0,2|1,0,1]=4 1564 B11R1.25 CCC(=O)NCc1nccs1 240690a_100000740555_100000210414 [0,0,0,0,0,2|1,0,1]=4 1565 B11R1.25 CCC(=O)NCc1nccs1 527a_100000740555_100000210414 [0,0,0,0,0,2|1,0,1]=4 1566 B11R1.25 CCC(=O)NCc1nnc[nH]1 11a_200015183720_100000210414 [0,0,0,0,0,2|2,0,0]=4 1567 B11R1.25 CCC(=O)NCc1nnc[nH]1 240690a_200015183720_100000210414 [0,0,0,0,0,2|2,0,0]=4 1568 B11R1.25 CCC(=O)NCc1nnc[nH]1 527a_200015183720_100000210414 [0,0,0,0,0,2|2,0,0]=4 1569 B11R1.25 CCC(=O)NN=C1C=CCC1 4a_100000183195_100000239507 [0,0,0,0,0,2|1,0,1]=4 1570 B11R1.25 CCC(=O)NN=C1CC=CC1 4a_100000183195_100000766571 [0,0,0,0,0,2|1,0,1]=4 1571 B11R1.25 CCC(=O)NNc1nccs1 22a_100011198208_100000210414 [0,0,0,0,0,2|1,0,1]=4 1572 B11R1.25 CNC(=O)C=Cc1cccs1 11a_106832991635_100000182767 [0,0,0,0,0,2|2,0,0]=4 1573 B11R1.25 CNC(=O)C=Cc1cccs1 1626a_100102657272_100000182767 [0,0,0,0,0,2|2,0,0]=4 1574 B11R1.25 CNC(=O)C=Cc1cccs1 240690a_100102657272_100000182767 [0,0,0,0,0,2|2,0,0]=4 1575 B11R1.25 CNC(=O)CCc1ccc[nH]1 11a_106832991635_200011998680 [0,0,0,0,0,2|1,0,0]=3 1576 B11R1.25 CNC(=O)CCc1ccc[nH]1 240690a_100102657272_200011998680 [0,0,0,0,0,2|1,0,0]=3 1577 B11R1.25 CNC(=O)CCc1ccc[nH]1 527a_100102657272_200011998680 [0,0,0,0,0,2|1,0,0]=3 1578 B11R1.25 CNC(=O)CCc1ccco1 11a_106832991635_100000185103 [0,0,0,0,0,2|2,0,0]=4 1579 B11R1.25 CNC(=O)CCc1ccco1 1626a_100102657272_100000185103 [0,0,0,0,0,2|2,0,0]=4 1580 B11R1.25 CNC(=O)CCc1ccco1 527a_100102657272_100000185103 [0,0,0,0,0,2|2,0,0]=4 1581 B11R1.25 CNC(=O)CCc1cccs1 11a_106832991635_100000185280 [0,0,0,0,0,2|2,0,0]=4 1582 B11R1.25 CNC(=O)CCc1cccs1 1626a_100102657272_100000185280 [0,0,0,0,0,2|2,0,0]=4 1583 B11R1.25 CNC(=O)CCc1cccs1 240690a_100102657272_100000185280 [0,0,0,0,0,2|2,0,0]=4 1584 B11R1.25 CNC(=O)CCc1cccs1 527a_100102657272_100000185280 [0,0,0,0,0,2|2,0,0]=4 1585 B11R1.25 CNC(=O)CCc1cnc[nH]1 240690a_100102657272_100000044180 [0,0,0,0,0,2|2,0,0]=4 1586 B11R1.25 CNC(=O)CCc1cnc[nH]1 527a_100102657272_100000044180 [0,0,0,0,0,2|2,0,0]=4 1587 B11R1.25 CNC(=O)CCc1ncc[nH]1 240690a_100102657272_100000722789 [0,0,0,0,0,2|2,0,0]=4 1588 B11R1.25 CNC(=O)CCc1ncc[nH]1 527a_100102657272_100000722789 [0,0,0,0,0,2|2,0,0]=4 1589 B11R1.25 CNC(=O)CSc1ccco1 62a_100000183359_100009814098 [0,0,0,0,0,2|2,0,0]=4 1590 B11R1.25 CNC(=O)CSc1ccco1 62a_100009814098_100000183359 [0,0,0,0,0,2|2,0,0]=4 1591 B11R1.25 CNC(=O)CSc1cccs1 62a_100000183359_100011215356 [0,0,0,0,0,2|2,0,0]=4 1592 B11R1.25 CNC(=O)CSc1cccs1 62a_100011215356_100000183359 [0,0,0,0,0,2|2,0,0]=4 1593 B11R1.25 CNC(=O)CSc1ncc[nH]1 62a_100000183359_100025796157 [0,0,0,0,0,2|2,0,0]=4 1594 B11R1.25 CNC(=O)CSc1ncc[nH]1 62a_100025796157_100000183359 [0,0,0,0,0,2|2,0,0]=4 1595 B11R1.25 CNC(=O)NCc1ccc[nH]1 273464a_100000764082_100102657272 [0,0,0,0,0,2|1,0,0]=3 1596 B11R1.25 CNC(=O)NCc1ccc[nH]1 273464a_100102657272_100000764082 [0,0,0,0,0,2|1,0,0]=3 1597 B11R1.25 CNC(=O)NCc1ccc[nH]1 512a_106832991638_100000764082 [0,0,0,0,0,2|1,0,0]=3 1598 B11R1.25 CNC(=O)NCc1ccco1 2708a_100000185738_106832991635 [0,0,0,0,0,2|2,0,0]=4 1599 B11R1.25 CNC(=O)NCc1ccco1 2708a_100102657272_100000185738 [0,0,0,0,0,2|2,0,0]=4 1600 B11R1.25 CNC(=O)NCc1ccco1 273464a_100000185738_100102657272 [0,0,0,0,0,2|2,0,0]=4 1601 B11R1.25 CNC(=O)NCc1ccco1 512a_100000185738_100102657272 [0,0,0,0,0,2|2,0,0]=4 1602 B11R1.25 CNC(=O)NCc1ccco1 512a_106832991638_100000185738 [0,0,0,0,0,2|2,0,0]=4 1603 B11R1.25 CNC(=O)NCc1cccs1 2708a_100000211653_106832991635 [0,0,0,0,0,2|2,0,0]=4 1604 B11R1.25 CNC(=O)NCc1cccs1 2708a_100102657272_100000211653 [0,0,0,0,0,2|2,0,0]=4 1605 B11R1.25 CNC(=O)NCc1cccs1 273464a_100000211653_100102657272 [0,0,0,0,0,2|2,0,0]=4 1606 B11R1.25 CNC(=O)NCc1cccs1 273464a_100102657272_100000211653 [0,0,0,0,0,2|2,0,0]=4 1607 B11R1.25 CNC(=O)NCc1cccs1 512a_100000211653_100102657272 [0,0,0,0,0,2|2,0,0]=4 1608 B11R1.25 CNC(=O)NCc1cccs1 512a_106832991638_100000211653 [0,0,0,0,0,2|2,0,0]=4 1609 B11R1.25 CNC(=O)NCc1ncc[nH]1 2708a_100000754540_106832991635 [0,0,0,0,0,2|2,0,0]=4 1610 B11R1.25 CNC(=O)NCc1ncc[nH]1 2708a_100102657272_100000754540 [0,0,0,0,0,2|2,0,0]=4 1611 B11R1.25 CNC(=O)NCc1ncc[nH]1 273464a_100000754540_100102657272 [0,0,0,0,0,2|2,0,0]=4 1612 B11R1.25 CNC(=O)NCc1ncc[nH]1 273464a_100102657272_100000754540 [0,0,0,0,0,2|2,0,0]=4 1613 B11R1.25 CNC(=O)NCc1ncc[nH]1 512a_100000754540_100102657272 [0,0,0,0,0,2|2,0,0]=4 1614 B11R1.25 CNC(=O)NCc1ncc[nH]1 512a_106832991638_100000754540 [0,0,0,0,0,2|2,0,0]=4 1615 B11R1.25 COC(=O)CSc1ccco1 62a_100000747449_100009814098 [0,0,0,0,0,2|2,0,0]=4 1616 B11R1.25 COC(=O)CSc1ccco1 62a_100009814098_100000747449 [0,0,0,0,0,2|2,0,0]=4 1617 B11R1.25 COC(=O)CSc1cccs1 62a_100000747449_100011215356 [0,0,0,0,0,2|2,0,0]=4 1618 B11R1.25 COC(=O)CSc1cccs1 62a_100011215356_100000747449 [0,0,0,0,0,2|2,0,0]=4 1619 B11R1.25 COC(=O)CSc1ncc[nH]1 62a_100000747449_100025796157 [0,0,0,0,0,2|2,0,0]=4 1620 B11R1.25 COC(=O)CSc1ncc[nH]1 62a_100025796157_100000747449 [0,0,0,0,0,2|2,0,0]=4 1621 B11R1.25 O=C(C=Cc1cccs1)CF 1458a_100000182767_100015361967 [0,0,0,0,0,2|2,0,0]=4 1622 B11R1.25 O=C(CF)CCc1ccc[nH]1 1458a_200011998680_100015361967 [0,0,0,0,0,2|1,0,0]=3 1623 B11R1.25 O=C(CF)CCc1ccco1 1458a_100000185103_100015361967 [0,0,0,0,0,2|2,0,0]=4 1624 B11R1.25 O=C(CF)CCc1cccs1 1458a_100000185280_100015361967 [0,0,0,0,0,2|2,0,0]=4 1625 B11R1.25 O=C(CF)CCc1cnc[nH]1 1458a_100000044180_100015361967 [0,0,0,0,0,2|2,0,0]=4 1626 B11R1.25 O=C(CF)CCc1ncc[nH]1 1458a_100000722789_100015361967 [0,0,0,0,0,2|2,0,0]=4 1627 B11R1.25 O=C(CO)CCc1cccs1 1458a_100000210174_100000748579 [0,0,0,0,0,2|2,0,0]=4 1628 B11R1.25 O=C(CO)NCc1ccc[nH]1 240690a_100000764082_100000210174 [0,0,0,0,0,2|1,0,0]=3 1629 B11R1.25 O=C(CO)NCc1ccc[nH]1 527a_100000764082_100000210174 [0,0,0,0,0,2|1,0,0]=3 1630 B11R1.25 O=C(CO)NCc1ccco1 240690a_100000185738_100000210174 [0,0,0,0,0,2|2,0,0]=4 1631 B11R1.25 O=C(CO)NCc1ccco1 527a_100000185738_100000210174 [0,0,0,0,0,2|2,0,0]=4 1632 B11R1.25 O=C(CO)NCc1cccs1 240690a_100000211653_100000210174 [0,0,0,0,0,2|2,0,0]=4 1633 B11R1.25 O=C(CO)NCc1cccs1 527a_100000211653_100000210174 [0,0,0,0,0,2|2,0,0]=4 1634 B11R1.25 O=C(CO)NCc1ncc[nH]1 240690a_100000754540_100000210174 [0,0,0,0,0,2|2,0,0]=4 1635 B11R1.25 O=C(CO)NCc1ncc[nH]1 527a_100000754540_100000210174 [0,0,0,0,0,2|2,0,0]=4