0 B10R1.15 CC(N[13CH3])c1ccccn1 2230a_100000181244_200025704644 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.15 CC(N[13CH3])c1cccnc1 2230a_100000195435_200025704644 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.15 CC(N[13CH3])c1ccncc1 2230a_100000181269_200025704644 [0,0,0,0,0,0|2,0,1]=3 3 B10R1.15 CC(N[13CH3])c1ncccn1 2230a_100020641698_200025704644 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.15 CC(S[13CH3])c1ccccc1 62a_100000230085_200025704644 [0,0,0,0,0,0|2,0,1]=3 5 B10R1.15 CC(S[13CH3])c1ccccc1 62a_200025704644_100000230085 [0,0,0,0,0,0|2,0,1]=3 6 B10R1.15 CCC(=O)c1ccccc1 1458a_100000185807_100000210202 [0,0,0,0,0,0|1,0,0]=1 7 B10R1.15 CCN(C)c1ccccc1 2230a_100000210012_100000210202 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.15 CCN(C)c1ccccc1 2230a_100000210013_200000210301 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.15 CCN(C)c1ccccc1 269982a_100000210012_100000204670 [0,0,0,0,0,0|3,0,0]=3 10 B10R1.15 CCN(C)c1ccccc1 269982a_100000210013_200000210301 [0,0,0,0,0,0|3,0,0]=3 11 B10R1.15 CCN(C)c1ccccc1 34a_100000210012_100000210202 [0,0,0,0,0,0|3,0,0]=3 12 B10R1.15 CCN(C)c1ccccc1 34a_100000210013_200000210301 [0,0,0,0,0,0|3,0,0]=3 13 B10R1.15 CCN([13CH3])c1ccccc1 2230a_100000210013_200025704644 [0,0,0,0,0,0|3,0,0]=3 14 B10R1.15 CCN([13CH3])c1ccccc1 269982a_100000210013_200025704644 [0,0,0,0,0,0|3,0,0]=3 15 B10R1.15 CCN([13CH3])c1ccccc1 34a_100000210013_200025704644 [0,0,0,0,0,0|3,0,0]=3 16 B10R1.15 CN(CF)c1ccccc1 269982a_100000210012_100015361967 [0,0,0,0,0,0|4,0,0]=4 17 B10R1.15 CN(CF)c1ccccc1 34a_100000210012_100015361967 [0,0,0,0,0,0|4,0,0]=4 18 B10R1.15 CNC(=O)C1=CCCCC1 11a_106832991635_100000765259 [0,0,0,0,0,0|0,0,4]=4 19 B10R1.15 CNC(=O)C1=CCCCC1 1626a_100102657272_100000765259 [0,0,0,0,0,0|0,0,4]=4 20 B10R1.15 CNC(=O)C1=CCCCC1 240690a_100102657272_100000765259 [0,0,0,0,0,0|0,0,4]=4 21 B10R1.15 CNC(=O)C1=CCCCC1 527a_100102657272_100000765259 [0,0,0,0,0,0|0,0,4]=4 22 B10R1.15 CNC(=O)C1=CCCCO1 11a_106832991635_100000764163 [0,0,0,0,0,0|1,0,3]=4 23 B10R1.15 CNC(=O)C1=CCCCO1 1626a_100102657272_100000764163 [0,0,0,0,0,0|1,0,3]=4 24 B10R1.15 CNC(=O)C1=CCCCO1 240690a_100102657272_100000764163 [0,0,0,0,0,0|1,0,3]=4 25 B10R1.15 CNC(=O)C1=CCCCO1 527a_100102657272_100000764163 [0,0,0,0,0,0|1,0,3]=4 26 B10R1.15 CNC(=O)C1=COCCC1 1626a_100102657272_100000749935 [0,0,0,0,0,0|1,0,3]=4 27 B10R1.15 CNC(=O)C1=COCCC1 527a_100102657272_100000749935 [0,0,0,0,0,0|1,0,3]=4 28 B10R1.15 CNC(=O)C1=COCCO1 11a_106832991635_100000008702 [0,0,0,0,0,0|2,0,2]=4 29 B10R1.15 CNC(=O)C1=COCCO1 1626a_100102657272_100000008702 [0,0,0,0,0,0|2,0,2]=4 30 B10R1.15 CNC(=O)C1=COCCO1 240690a_100102657272_100000008702 [0,0,0,0,0,0|2,0,2]=4 31 B10R1.15 CNC(=O)C1=COCCO1 527a_100102657272_100000008702 [0,0,0,0,0,0|2,0,2]=4 32 B10R1.15 CNC(=O)N1CC=CCC1 2708a_100102657272_100000698166 [0,0,0,0,0,0|1,0,3]=4 33 B10R1.15 CNC(=O)N1CC=CCC1 273464a_100102657272_100000698166 [0,0,0,0,0,0|1,0,3]=4 34 B10R1.15 CNC(=O)[C@H]1CC=CCC1 11a_106832991635_100009820709 [0,0,0,0,0,0|0,0,4]=4 35 B10R1.15 CNC(=O)[C@H]1CC=CCC1 1626a_100102657272_100009820709 [0,0,0,0,0,0|0,0,4]=4 36 B10R1.15 CNC(=O)[C@H]1CC=CCC1 240690a_100102657272_100009820709 [0,0,0,0,0,0|0,0,4]=4 37 B10R1.15 CNC(=O)[C@H]1CC=CCC1 527a_100102657272_100009820709 [0,0,0,0,0,0|0,0,4]=4 38 B10R1.15 CNC(=O)c1ccccc1 11a_106832991635_100000185807 [0,0,0,0,0,0|0,0,0]=0 39 B10R1.15 CNC(=O)c1ccccc1 1626a_100102657272_100000185807 [0,0,0,0,0,0|0,0,0]=0 40 B10R1.15 CNC(=O)c1ccccc1 240690a_100102657272_100000185807 [0,0,0,0,0,0|0,0,0]=0 41 B10R1.15 CNC(=O)c1ccccc1 527a_100102657272_100000185807 [0,0,0,0,0,0|0,0,0]=0 42 B10R1.15 CNC(C)c1ccccc1 2230a_106832991635_100000230085 [0,0,0,0,0,0|1,0,1]=2 43 B10R1.15 CNC(C)c1ccccc1 269862a_106832991636_100000185851 [0,0,0,0,0,0|1,0,1]=2 44 B10R1.15 CNC(C)c1ccccc1 34a_100102657272_100000211855 [0,0,0,0,0,0|1,0,1]=2 45 B10R1.15 CNC(C)c1ccccc1 7a_106832991635_100000230085 [0,0,0,0,0,0|1,0,1]=2 46 B10R1.15 CNC(C)c1ccccn1 2230a_100000181244_200000210301 [0,0,0,0,0,0|2,0,1]=3 47 B10R1.15 CNC(C)c1ccccn1 269862a_106832991636_100000210467 [0,0,0,0,0,0|2,0,1]=3 48 B10R1.15 CNC(C)c1cccnc1 2230a_100000195435_200000210301 [0,0,0,0,0,0|2,0,1]=3 49 B10R1.15 CNC(C)c1cccnc1 269862a_106832991636_100000210468 [0,0,0,0,0,0|2,0,1]=3 50 B10R1.15 CNC(C)c1cccnn1 269862a_106832991636_100009866853 [0,0,0,0,0,0|3,0,1]=4 51 B10R1.15 CNC(C)c1ccncc1 2230a_100000181269_200000210301 [0,0,0,0,0,0|2,0,1]=3 52 B10R1.15 CNC(C)c1ccncc1 269862a_106832991636_100000185792 [0,0,0,0,0,0|2,0,1]=3 53 B10R1.15 CNC(C)c1ccnnc1 269862a_106832991636_100012182992 [0,0,0,0,0,0|3,0,1]=4 54 B10R1.15 CNC(C)c1cnccn1 2230a_106832991635_200000703233 [0,0,0,0,0,0|3,0,1]=4 55 B10R1.15 CNC(C)c1cnccn1 269862a_106832991636_100000751083 [0,0,0,0,0,0|3,0,1]=4 56 B10R1.15 CNC(C)c1cnccn1 7a_106832991635_200000703233 [0,0,0,0,0,0|3,0,1]=4 57 B10R1.15 CNC(C)c1cncnc1 269862a_106832991636_100000757475 [0,0,0,0,0,0|3,0,1]=4 58 B10R1.15 CNC(C)c1ncccn1 2230a_100020641698_200000210301 [0,0,0,0,0,0|3,0,1]=4 59 B10R1.15 CNC(C)c1ncccn1 270004a_106832991635_100011350828 [0,0,0,0,0,0|3,0,1]=4 60 B10R1.15 CN[C@H](C)c1ccccc1 2230a_100000751104_200000210301 [0,0,0,0,0,0|1,0,1]=2 61 B10R1.15 CN[C@H](C)c1cnccn1 2230a_100020589798_200000210301 [0,0,0,0,0,0|3,0,1]=4 62 B10R1.15 COC(C)c1ccccc1 34a_100138415774_100000211855 [0,0,0,0,0,0|2,0,1]=3 63 B10R1.15 CO[C@H](C)c1ccccc1 34a_100000761318_200000210301 [0,0,0,0,0,0|2,0,1]=3 64 B10R1.15 CO[C@H](C)c1ccccc1 7a_100000761318_200000210301 [0,0,0,0,0,0|2,0,1]=3 65 B10R1.15 CSC(C)c1ccccc1 62a_100000230085_200000210301 [0,0,0,0,0,0|2,0,1]=3 66 B10R1.15 CSC(C)c1ccccc1 62a_200000210301_100000230085 [0,0,0,0,0,0|2,0,1]=3 67 B10R1.15 C[C@@H](N[13CH3])c1ccccc1 2230a_100000751104_200025704644 [0,0,0,0,0,0|1,0,1]=2 68 B10R1.15 C[C@@H](N[13CH3])c1cnccn1 2230a_100020589798_200025704644 [0,0,0,0,0,0|3,0,1]=4 69 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 34a_100000761318_200025704644 [0,0,0,0,0,0|2,0,1]=3 70 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 7a_100000761318_200025704644 [0,0,0,0,0,0|2,0,1]=3 71 B10R1.15 O=C(CF)c1ccccc1 1458a_100000185807_100015361967 [0,0,0,0,0,0|2,0,0]=2 72 B9R1.6 C=C(C)c1ccccc1 271570a_100000694244_100000210277 [1,0,0,0,0,0|1,0,0]=2 73 B9R1.6 C=C(C)c1ccccn1 271570a_100000694244_100011216584 [1,0,0,0,0,0|2,0,0]=3 74 B9R1.6 C=C(C)c1cccnc1 271570a_100000694244_100000752921 [1,0,0,0,0,0|2,0,0]=3 75 B9R1.6 C=C(C)c1cccnn1 271570a_100000694244_100016991348 [1,0,0,0,0,0|3,0,0]=4 76 B9R1.6 C=C(C)c1ccncc1 271570a_100000694244_100000035832 [1,0,0,0,0,0|2,0,0]=3 77 B9R1.6 C=C(C)c1ccncn1 271570a_100000694244_100000703185 [1,0,0,0,0,0|3,0,0]=4 78 B9R1.6 C=C(C)c1ccnnc1 271570a_100000694244_100000732662 [1,0,0,0,0,0|3,0,0]=4 79 B9R1.6 C=C(C)c1cnccn1 271570a_100000694244_100000758340 [1,0,0,0,0,0|3,0,0]=4 80 B9R1.6 C=C(C)c1cncnc1 271570a_100000694244_100011206942 [1,0,0,0,0,0|3,0,0]=4 81 B9R1.6 C=C(C)c1ncccn1 271570a_100000694244_100000211032 [1,0,0,0,0,0|3,0,0]=4 82 B9R1.6 CC(=O)c1ccccc1 1458a_100000185807_200000210301 [1,0,0,0,0,0|0,0,0]=1 83 B9R1.6 CN(C)c1ccccc1 2230a_100000210012_200000210301 [1,0,0,0,0,0|2,0,0]=3 84 B9R1.6 CN(C)c1ccccc1 269982a_100000210012_200000210301 [1,0,0,0,0,0|2,0,0]=3 85 B9R1.6 CN(C)c1ccccc1 34a_100000210012_200000210301 [1,0,0,0,0,0|2,0,0]=3 86 B9R1.6 CN([13CH3])c1ccccc1 2230a_100000210012_200025704644 [1,0,0,0,0,0|2,0,0]=3 87 B9R1.6 CN([13CH3])c1ccccc1 269982a_100000210012_200025704644 [1,0,0,0,0,0|2,0,0]=3 88 B9R1.6 CN([13CH3])c1ccccc1 34a_100000210012_200025704644 [1,0,0,0,0,0|2,0,0]=3 89 B9R1.6 [13CH3]C(=O)c1ccccc1 1458a_100000185807_200025704644 [1,0,0,0,0,0|0,0,0]=1 90 B9R1.8 C=C=Cc1ccccc1 271570a_100015277604_100000210277 [1,0,0,0,0,0|1,0,1]=3 91 B9R1.8 C=C=Cc1ccccn1 271570a_100015277604_100011216584 [1,0,0,0,0,0|2,0,1]=4 92 B9R1.8 C=C=Cc1cccnc1 271570a_100015277604_100000752921 [1,0,0,0,0,0|2,0,1]=4 93 B9R1.8 C=C=Cc1ccncc1 271570a_100015277604_100000035832 [1,0,0,0,0,0|2,0,1]=4 94 B9R1.8 CC=Cc1ccccc1 271570a_100016259895_100000210277 [1,0,0,0,0,0|1,0,0]=2 95 B9R1.8 CC=Cc1ccccn1 271570a_100016259895_100011216584 [1,0,0,0,0,0|2,0,0]=3 96 B9R1.8 CC=Cc1cccnc1 271570a_100016259895_100000752921 [1,0,0,0,0,0|2,0,0]=3 97 B9R1.8 CC=Cc1cccnn1 271570a_100016259895_100016991348 [1,0,0,0,0,0|3,0,0]=4 98 B9R1.8 CC=Cc1ccncc1 271570a_100016259895_100000035832 [1,0,0,0,0,0|2,0,0]=3 99 B9R1.8 CC=Cc1ccncn1 271570a_100016259895_100000703185 [1,0,0,0,0,0|3,0,0]=4 100 B9R1.8 CC=Cc1ccnnc1 271570a_100016259895_100000732662 [1,0,0,0,0,0|3,0,0]=4 101 B9R1.8 CC=Cc1cnccn1 271570a_100016259895_100000758340 [1,0,0,0,0,0|3,0,0]=4 102 B9R1.8 CC=Cc1cncnc1 271570a_100016259895_100011206942 [1,0,0,0,0,0|3,0,0]=4 103 B9R1.8 CC=Cc1ncccn1 271570a_100016259895_100000211032 [1,0,0,0,0,0|3,0,0]=4 104 B9R1.8 CCNc1ccccc1 34a_100000106764_100000210202 [1,0,0,0,0,0|2,0,0]=3 105 B9R1.8 CCOc1ccccc1 34a_100000210340_100000210202 [1,0,0,0,0,0|2,0,0]=3 106 B9R1.8 CCOc1ccccc1 7a_100000210340_100000210202 [1,0,0,0,0,0|2,0,0]=3 107 B9R1.8 CCOc1cccnc1 34a_100000210849_100000210202 [1,0,0,0,0,0|3,0,0]=4 108 B9R1.8 CCOc1cccnc1 7a_100000210849_100000210202 [1,0,0,0,0,0|3,0,0]=4 109 B9R1.8 CCOc1ccncc1 34a_100000212176_100000210202 [1,0,0,0,0,0|3,0,0]=4 110 B9R1.8 CCSc1ccccc1 62a_100000210202_100000041952 [1,0,0,0,0,0|2,0,0]=3 111 B9R1.8 CCSc1ccccc1 62a_100000719477_100000210202 [1,0,0,0,0,0|2,0,0]=3 112 B9R1.8 CCSc1ccccn1 62a_100000210202_100011216584 [1,0,0,0,0,0|3,0,0]=4 113 B9R1.8 CCSc1ccccn1 62a_100011216584_100000210202 [1,0,0,0,0,0|3,0,0]=4 114 B9R1.8 CCSc1cccnc1 62a_100000210063_100000210202 [1,0,0,0,0,0|3,0,0]=4 115 B9R1.8 CCSc1cccnc1 62a_100000210202_100000210063 [1,0,0,0,0,0|3,0,0]=4 116 B9R1.8 CCSc1ccncc1 62a_100000210202_100000728582 [1,0,0,0,0,0|3,0,0]=4 117 B9R1.8 CCSc1ccncc1 62a_100000728582_100000210202 [1,0,0,0,0,0|3,0,0]=4 118 B9R1.8 CNCc1ccccc1 207a_100102657272_100015611070 [1,0,0,0,0,0|0,0,1]=2 119 B9R1.8 CNCc1ccccc1 2230a_100015324214_200000210301 [1,0,0,0,0,0|0,0,1]=2 120 B9R1.8 CNCc1ccccc1 2230a_106832991635_100015291786 [1,0,0,0,0,0|0,0,1]=2 121 B9R1.8 CNCc1ccccc1 270004a_106832991635_100015611070 [1,0,0,0,0,0|0,0,1]=2 122 B9R1.8 CNCc1ccccc1 34a_100015324214_200000210301 [1,0,0,0,0,0|0,0,1]=2 123 B9R1.8 CNCc1ccccc1 34a_100102657272_100015291786 [1,0,0,0,0,0|0,0,1]=2 124 B9R1.8 CNCc1ccccc1 7a_106832991635_100000211182 [1,0,0,0,0,0|0,0,1]=2 125 B9R1.8 CNCc1ccccn1 207a_100102657272_100000209966 [1,0,0,0,0,0|1,0,1]=3 126 B9R1.8 CNCc1ccccn1 2230a_106832991635_100000721315 [1,0,0,0,0,0|1,0,1]=3 127 B9R1.8 CNCc1ccccn1 270004a_106832991635_100000209966 [1,0,0,0,0,0|1,0,1]=3 128 B9R1.8 CNCc1ccccn1 34a_100102657272_100000721315 [1,0,0,0,0,0|1,0,1]=3 129 B9R1.8 CNCc1ccccn1 7a_106832991635_100000721315 [1,0,0,0,0,0|1,0,1]=3 130 B9R1.8 CNCc1cccnc1 207a_100102657272_100000209961 [1,0,0,0,0,0|1,0,1]=3 131 B9R1.8 CNCc1cccnc1 2230a_106832991635_100000741622 [1,0,0,0,0,0|1,0,1]=3 132 B9R1.8 CNCc1cccnc1 270004a_106832991635_100000209961 [1,0,0,0,0,0|1,0,1]=3 133 B9R1.8 CNCc1cccnc1 34a_100102657272_100000733263 [1,0,0,0,0,0|1,0,1]=3 134 B9R1.8 CNCc1cccnc1 7a_106832991635_100000741622 [1,0,0,0,0,0|1,0,1]=3 135 B9R1.8 CNCc1cccnn1 2230a_100159270163_200000210301 [1,0,0,0,0,0|2,0,1]=4 136 B9R1.8 CNCc1cccnn1 2230a_106832991635_100016990269 [1,0,0,0,0,0|2,0,1]=4 137 B9R1.8 CNCc1cccnn1 34a_100102657272_100016990269 [1,0,0,0,0,0|2,0,1]=4 138 B9R1.8 CNCc1cccnn1 7a_106832991635_100016990269 [1,0,0,0,0,0|2,0,1]=4 139 B9R1.8 CNCc1ccncc1 207a_100102657272_100000186114 [1,0,0,0,0,0|1,0,1]=3 140 B9R1.8 CNCc1ccncc1 2230a_106832991635_100015193705 [1,0,0,0,0,0|1,0,1]=3 141 B9R1.8 CNCc1ccncc1 7a_106832991635_100015193705 [1,0,0,0,0,0|1,0,1]=3 142 B9R1.8 CNCc1ccnnc1 270004a_106832991635_100011934578 [1,0,0,0,0,0|2,0,1]=4 143 B9R1.8 CNCc1cnccn1 2230a_106832991635_100016995436 [1,0,0,0,0,0|2,0,1]=4 144 B9R1.8 CNCc1cnccn1 270004a_106832991635_100000749867 [1,0,0,0,0,0|2,0,1]=4 145 B9R1.8 CNCc1cnccn1 34a_100102657272_100016995436 [1,0,0,0,0,0|2,0,1]=4 146 B9R1.8 CNCc1cnccn1 7a_106832991635_100016995436 [1,0,0,0,0,0|2,0,1]=4 147 B9R1.8 CNCc1cncnc1 2230a_100011243677_200000210301 [1,0,0,0,0,0|2,0,1]=4 148 B9R1.8 CNCc1cncnc1 2230a_106832991635_100015196519 [1,0,0,0,0,0|2,0,1]=4 149 B9R1.8 CNCc1cncnc1 270004a_106832991635_100000749868 [1,0,0,0,0,0|2,0,1]=4 150 B9R1.8 CNCc1cncnc1 34a_100102657272_100015196519 [1,0,0,0,0,0|2,0,1]=4 151 B9R1.8 CNCc1cncnc1 7a_106832991635_100015196519 [1,0,0,0,0,0|2,0,1]=4 152 B9R1.8 CNCc1ncccn1 2230a_106832991635_100000703007 [1,0,0,0,0,0|2,0,1]=4 153 B9R1.8 CNCc1ncccn1 270004a_106832991635_100011532527 [1,0,0,0,0,0|2,0,1]=4 154 B9R1.8 CNCc1ncccn1 34a_100102657272_100000703007 [1,0,0,0,0,0|2,0,1]=4 155 B9R1.8 CNCc1ncccn1 7a_106832991635_100000703007 [1,0,0,0,0,0|2,0,1]=4 156 B9R1.8 COCc1ccccc1 34a_100000210790_200000210301 [1,0,0,0,0,0|1,0,1]=3 157 B9R1.8 COCc1ccccc1 34a_100138415774_100015291786 [1,0,0,0,0,0|1,0,1]=3 158 B9R1.8 COCc1ccccc1 7a_100000210790_200000210301 [1,0,0,0,0,0|1,0,1]=3 159 B9R1.8 COCc1ccccn1 34a_100138415774_100000721315 [1,0,0,0,0,0|2,0,1]=4 160 B9R1.8 COCc1cccnc1 34a_100138415774_100000733263 [1,0,0,0,0,0|2,0,1]=4 161 B9R1.8 CSCc1ccccc1 62a_100000211182_200000210301 [1,0,0,0,0,0|1,0,1]=3 162 B9R1.8 CSCc1ccccc1 62a_200000210301_100015291786 [1,0,0,0,0,0|1,0,1]=3 163 B9R1.8 CSCc1ccccn1 62a_100000721315_200000210301 [1,0,0,0,0,0|2,0,1]=4 164 B9R1.8 CSCc1ccccn1 62a_200000210301_100000721315 [1,0,0,0,0,0|2,0,1]=4 165 B9R1.8 CSCc1cccnc1 62a_100000741622_200000210301 [1,0,0,0,0,0|2,0,1]=4 166 B9R1.8 CSCc1cccnc1 62a_200000210301_100000741622 [1,0,0,0,0,0|2,0,1]=4 167 B9R1.8 CSCc1ccncc1 62a_100015193705_200000210301 [1,0,0,0,0,0|2,0,1]=4 168 B9R1.8 CSCc1ccncc1 62a_200000210301_100015193705 [1,0,0,0,0,0|2,0,1]=4 169 B9R1.8 FCNc1ccccc1 34a_100000106764_100015361967 [1,0,0,0,0,0|3,0,0]=4 170 B9R1.8 FCOc1ccccc1 34a_100000210340_100015361967 [1,0,0,0,0,0|3,0,0]=4 171 B9R1.8 FCOc1ccccc1 7a_100000210340_100015361967 [1,0,0,0,0,0|3,0,0]=4 172 B9R1.8 FCSc1ccccc1 62a_100000719477_100015361967 [1,0,0,0,0,0|3,0,0]=4 173 B9R1.8 FCSc1ccccc1 62a_100015361967_100000041952 [1,0,0,0,0,0|3,0,0]=4 174 B9R1.8 [13CH3]NCc1ccccc1 2230a_100015324214_200025704644 [1,0,0,0,0,0|0,0,1]=2 175 B9R1.8 [13CH3]NCc1ccccc1 34a_100015324214_200025704644 [1,0,0,0,0,0|0,0,1]=2 176 B9R1.8 [13CH3]NCc1cccnn1 2230a_100159270163_200025704644 [1,0,0,0,0,0|2,0,1]=4 177 B9R1.8 [13CH3]NCc1cncnc1 2230a_100011243677_200025704644 [1,0,0,0,0,0|2,0,1]=4 178 B9R1.8 [13CH3]OCc1ccccc1 34a_100000210790_200025704644 [1,0,0,0,0,0|1,0,1]=3 179 B9R1.8 [13CH3]OCc1ccccc1 7a_100000210790_200025704644 [1,0,0,0,0,0|1,0,1]=3 180 B9R1.8 [13CH3]SCc1ccccc1 62a_100000211182_200025704644 [1,0,0,0,0,0|1,0,1]=3 181 B9R1.8 [13CH3]SCc1ccccc1 62a_200025704644_100015291786 [1,0,0,0,0,0|1,0,1]=3 182 B9R1.8 [13CH3]SCc1ccccn1 62a_100000721315_200025704644 [1,0,0,0,0,0|2,0,1]=4 183 B9R1.8 [13CH3]SCc1ccccn1 62a_200025704644_100000721315 [1,0,0,0,0,0|2,0,1]=4 184 B9R1.8 [13CH3]SCc1cccnc1 62a_100000741622_200025704644 [1,0,0,0,0,0|2,0,1]=4 185 B9R1.8 [13CH3]SCc1cccnc1 62a_200025704644_100000741622 [1,0,0,0,0,0|2,0,1]=4 186 B9R1.8 [13CH3]SCc1ccncc1 62a_100015193705_200025704644 [1,0,0,0,0,0|2,0,1]=4 187 B9R1.8 [13CH3]SCc1ccncc1 62a_200025704644_100015193705 [1,0,0,0,0,0|2,0,1]=4 188 B11R1.7 CC(C)(N[13CH3])c1ccccc1 2230a_100011218174_200025704644 [0,1,0,0,0,0|1,0,1]=3 189 B11R1.7 CC(C)(N[13CH3])c1ccccn1 2230a_100011999416_200025704644 [0,1,0,0,0,0|2,0,1]=4 190 B11R1.7 CC(C)(N[13CH3])c1cccnc1 2230a_100011376175_200025704644 [0,1,0,0,0,0|2,0,1]=4 191 B11R1.7 CC(C)(O[13CH3])c1ccccc1 7a_100000694644_200025704644 [0,1,0,0,0,0|2,0,1]=4 192 B11R1.7 CC(C)(S[13CH3])c1ccccc1 62a_100000034625_200025704644 [0,1,0,0,0,0|2,0,1]=4 193 B11R1.7 CC(C)(S[13CH3])c1ccccc1 62a_200025704644_100000034625 [0,1,0,0,0,0|2,0,1]=4 194 B11R1.7 CNC(C)(C)c1ccccc1 2230a_100011218174_200000210301 [0,1,0,0,0,0|1,0,1]=3 195 B11R1.7 CNC(C)(C)c1ccccc1 2230a_106832991635_100000034625 [0,1,0,0,0,0|1,0,1]=3 196 B11R1.7 CNC(C)(C)c1ccccn1 2230a_100011999416_200000210301 [0,1,0,0,0,0|2,0,1]=4 197 B11R1.7 CNC(C)(C)c1cccnc1 2230a_100011376175_200000210301 [0,1,0,0,0,0|2,0,1]=4 198 B11R1.7 CNC(F)(F)c1ccccc1 7a_106832991635_100000036403 [0,1,0,0,0,0|1,0,1]=3 199 B11R1.7 CNS(=O)(=O)c1ccccc1 270084a_100102657272_100000210345 [0,1,0,0,0,0|1,0,0]=2 200 B11R1.7 CNS(=O)(=O)c1ccccc1 274078a_100102657272_100000210345 [0,1,0,0,0,0|1,0,0]=2 201 B11R1.7 CNS(=O)(=O)c1ccccc1 40a_100102657272_100000032697 [0,1,0,0,0,0|1,0,0]=2 202 B11R1.7 CNS(=O)(=O)c1ccccn1 270084a_100102657272_100016994956 [0,1,0,0,0,0|2,0,0]=3 203 B11R1.7 CNS(=O)(=O)c1ccccn1 274078a_100102657272_100016994956 [0,1,0,0,0,0|2,0,0]=3 204 B11R1.7 CNS(=O)(=O)c1ccccn1 40a_100102657272_100000070048 [0,1,0,0,0,0|2,0,0]=3 205 B11R1.7 CNS(=O)(=O)c1cccnc1 270084a_100102657272_100000736704 [0,1,0,0,0,0|2,0,0]=3 206 B11R1.7 CNS(=O)(=O)c1cccnc1 274078a_100102657272_100000736704 [0,1,0,0,0,0|2,0,0]=3 207 B11R1.7 COC(C)(C)c1ccccc1 7a_100000694644_200000210301 [0,1,0,0,0,0|2,0,1]=4 208 B11R1.7 CSC(C)(C)c1ccccc1 62a_100000034625_200000210301 [0,1,0,0,0,0|2,0,1]=4 209 B11R1.7 CSC(C)(C)c1ccccc1 62a_200000210301_100000034625 [0,1,0,0,0,0|2,0,1]=4 210 B11R1.7 CSC(F)(F)c1ccccc1 62a_200000210301_100000036403 [0,1,0,0,0,0|2,0,1]=4 211 B11R1.7 [13CH3]SC(F)(F)c1ccccc1 62a_200025704644_100000036403 [0,1,0,0,0,0|2,0,1]=4 212 B11R1.12 C#CC(OC)c1ccccc1 34a_100011219616_200000210301 [0,1,0,0,0,0|2,0,1]=4 213 B11R1.12 C#CC(OC)c1ccccc1 7a_100011219616_200000210301 [0,1,0,0,0,0|2,0,1]=4 214 B11R1.12 C#CC(O[13CH3])c1ccccc1 34a_100011219616_200025704644 [0,1,0,0,0,0|2,0,1]=4 215 B11R1.12 C#CC(O[13CH3])c1ccccc1 7a_100011219616_200025704644 [0,1,0,0,0,0|2,0,1]=4 216 B11R1.12 C=CC(NC)c1ccccc1 2230a_106832991635_200000085779 [0,1,0,0,0,0|1,0,1]=3 217 B11R1.12 C=CC(OC)c1ccccc1 34a_100011215659_200000210301 [0,1,0,0,0,0|2,0,1]=4 218 B11R1.12 C=CC(OC)c1ccccc1 7a_100011215659_200000210301 [0,1,0,0,0,0|2,0,1]=4 219 B11R1.12 C=CC(O[13CH3])c1ccccc1 34a_100011215659_200025704644 [0,1,0,0,0,0|2,0,1]=4 220 B11R1.12 C=CC(O[13CH3])c1ccccc1 7a_100011215659_200025704644 [0,1,0,0,0,0|2,0,1]=4 221 B11R1.12 C=CC(SC)c1ccccc1 62a_200000085779_200000210301 [0,1,0,0,0,0|2,0,1]=4 222 B11R1.12 C=CC(SC)c1ccccc1 62a_200000210301_200000085779 [0,1,0,0,0,0|2,0,1]=4 223 B11R1.12 C=CC(S[13CH3])c1ccccc1 62a_200000085779_200025704644 [0,1,0,0,0,0|2,0,1]=4 224 B11R1.12 C=CC(S[13CH3])c1ccccc1 62a_200025704644_200000085779 [0,1,0,0,0,0|2,0,1]=4 225 B11R1.12 CCC(NC)c1ccccc1 2230a_100000737752_200000210301 [0,1,0,0,0,0|1,0,1]=3 226 B11R1.12 CCC(NC)c1ccccc1 269862a_106832991636_100000210124 [0,1,0,0,0,0|1,0,1]=3 227 B11R1.12 CCC(NC)c1ccccn1 2230a_100015186561_200000210301 [0,1,0,0,0,0|2,0,1]=4 228 B11R1.12 CCC(NC)c1ccccn1 269862a_106832991636_100000748178 [0,1,0,0,0,0|2,0,1]=4 229 B11R1.12 CCC(NC)c1cccnc1 2230a_100000246009_200000210301 [0,1,0,0,0,0|2,0,1]=4 230 B11R1.12 CCC(NC)c1cccnc1 269862a_106832991636_100011218761 [0,1,0,0,0,0|2,0,1]=4 231 B11R1.12 CCC(NC)c1ccncc1 269862a_106832991636_100011216016 [0,1,0,0,0,0|2,0,1]=4 232 B11R1.12 CCC(N[13CH3])c1ccccc1 2230a_100000737752_200025704644 [0,1,0,0,0,0|1,0,1]=3 233 B11R1.12 CCC(N[13CH3])c1ccccn1 2230a_100015186561_200025704644 [0,1,0,0,0,0|2,0,1]=4 234 B11R1.12 CCC(N[13CH3])c1cccnc1 2230a_100000246009_200025704644 [0,1,0,0,0,0|2,0,1]=4 235 B11R1.12 CCC(OC)c1ccccc1 34a_100000698172_200000210301 [0,1,0,0,0,0|1,0,2]=4 236 B11R1.12 CCC(OC)c1ccccc1 7a_100000698172_200000210301 [0,1,0,0,0,0|1,0,2]=4 237 B11R1.12 CCC(O[13CH3])c1ccccc1 34a_100000698172_200025704644 [0,1,0,0,0,0|1,0,2]=4 238 B11R1.12 CCC(O[13CH3])c1ccccc1 7a_100000698172_200025704644 [0,1,0,0,0,0|1,0,2]=4 239 B11R1.12 CCN(CC)c1ccccc1 2230a_100000210013_100000210202 [0,1,0,0,0,0|3,0,0]=4 240 B11R1.12 CCN(CC)c1ccccc1 269982a_100000210013_100000204670 [0,1,0,0,0,0|3,0,0]=4 241 B11R1.12 CCN(CC)c1ccccc1 34a_100000210013_100000210202 [0,1,0,0,0,0|3,0,0]=4 242 B11R1.12 CCN(CF)c1ccccc1 269982a_100000210013_100015361967 [0,1,0,0,0,0|3,0,0]=4 243 B11R1.12 CCN(CF)c1ccccc1 34a_100000210013_100015361967 [0,1,0,0,0,0|3,0,0]=4 244 B11R1.12 CNC(CO)c1ccccn1 2230a_100015196888_200000210301 [0,1,0,0,0,0|1,0,2]=4 245 B11R1.12 CN[C@H](CO)c1ccccc1 2230a_100000751927_200000210301 [0,1,0,0,0,0|0,0,2]=3 246 B11R1.12 CN[C@H](CO)c1ccccc1 34a_100000751927_200000210301 [0,1,0,0,0,0|0,0,2]=3 247 B11R1.12 CN[C@H](CO)c1ccncc1 2230a_100138412524_200000210301 [0,1,0,0,0,0|1,0,2]=4 248 B11R1.12 COC(C#N)c1ccccc1 7a_100011217353_200000210301 [0,1,0,0,0,0|2,0,1]=4 249 B11R1.12 COC(CBr)c1ccccc1 7a_100000185958_200000210301 [0,1,0,0,0,0|2,0,1]=4 250 B11R1.12 COC(CN)c1ccccc1 34a_100000210709_200000210301 [0,1,0,0,0,0|2,0,1]=4 251 B11R1.12 CO[C@H](CCl)c1ccccc1 34a_100011933945_200000210301 [0,1,0,0,0,0|2,0,1]=4 252 B11R1.12 CO[C@H](CCl)c1ccccc1 7a_100011933945_200000210301 [0,1,0,0,0,0|2,0,1]=4 253 B11R1.12 [13CH3]NC(CO)c1ccccn1 2230a_100015196888_200025704644 [0,1,0,0,0,0|1,0,2]=4 254 B11R1.12 [13CH3]N[C@H](CO)c1ccccc1 2230a_100000751927_200025704644 [0,1,0,0,0,0|0,0,2]=3 255 B11R1.12 [13CH3]N[C@H](CO)c1ccccc1 34a_100000751927_200025704644 [0,1,0,0,0,0|0,0,2]=3 256 B11R1.12 [13CH3]N[C@H](CO)c1ccncc1 2230a_100138412524_200025704644 [0,1,0,0,0,0|1,0,2]=4 257 B11R1.12 [13CH3]OC(C#N)c1ccccc1 7a_100011217353_200025704644 [0,1,0,0,0,0|2,0,1]=4 258 B11R1.12 [13CH3]OC(CBr)c1ccccc1 7a_100000185958_200025704644 [0,1,0,0,0,0|2,0,1]=4 259 B11R1.12 [13CH3]OC(CN)c1ccccc1 34a_100000210709_200025704644 [0,1,0,0,0,0|2,0,1]=4 260 B11R1.12 [13CH3]O[C@H](CCl)c1ccccc1 34a_100011933945_200025704644 [0,1,0,0,0,0|2,0,1]=4 261 B11R1.12 [13CH3]O[C@H](CCl)c1ccccc1 7a_100011933945_200025704644 [0,1,0,0,0,0|2,0,1]=4 262 B11R1.16 C#CCC(=O)c1ccccc1 1458a_100000185807_100000184674 [0,1,0,0,0,0|1,0,1]=3 263 B11R1.16 C=CCC(=O)c1ccccc1 1458a_100000185807_100000210623 [0,1,0,0,0,0|1,0,1]=3 264 B11R1.16 CC(CN[13CH3])c1ccccc1 2230a_100000701038_200025704644 [0,1,0,0,0,0|1,0,1]=3 265 B11R1.16 CC(CN[13CH3])c1ccccc1 34a_100000701038_200025704644 [0,1,0,0,0,0|1,0,1]=3 266 B11R1.16 CC(CO[13CH3])c1ccccc1 34a_100011215166_200025704644 [0,1,0,0,0,0|2,0,1]=4 267 B11R1.16 CC(CO[13CH3])c1ccccc1 7a_100011215166_200025704644 [0,1,0,0,0,0|2,0,1]=4 268 B11R1.16 CC(CS[13CH3])c1ccccc1 62a_100000756946_200025704644 [0,1,0,0,0,0|2,0,1]=4 269 B11R1.16 CC(CS[13CH3])c1ccccc1 62a_200025704644_100000756946 [0,1,0,0,0,0|2,0,1]=4 270 B11R1.16 CC(SCF)c1ccccc1 62a_100000230085_100015361967 [0,1,0,0,0,0|2,0,1]=4 271 B11R1.16 CC(SCF)c1ccccc1 62a_100015361967_100000230085 [0,1,0,0,0,0|2,0,1]=4 272 B11R1.16 CCCC(=O)c1ccccc1 1458a_100000185807_100000210303 [0,1,0,0,0,0|1,0,0]=2 273 B11R1.16 CCCN(C)c1ccccc1 2230a_100000210012_100000210303 [0,1,0,0,0,0|3,0,0]=4 274 B11R1.16 CCCN(C)c1ccccc1 2230a_200011218496_200000210301 [0,1,0,0,0,0|3,0,0]=4 275 B11R1.16 CCCN(C)c1ccccc1 269982a_100000210012_100000210303 [0,1,0,0,0,0|3,0,0]=4 276 B11R1.16 CCCN(C)c1ccccc1 269982a_200011218496_200000210301 [0,1,0,0,0,0|3,0,0]=4 277 B11R1.16 CCCN(C)c1ccccc1 34a_100000210012_100000210303 [0,1,0,0,0,0|3,0,0]=4 278 B11R1.16 CCCN(C)c1ccccc1 34a_200011218496_200000210301 [0,1,0,0,0,0|3,0,0]=4 279 B11R1.16 CCCN([13CH3])c1ccccc1 2230a_200011218496_200025704644 [0,1,0,0,0,0|3,0,0]=4 280 B11R1.16 CCCN([13CH3])c1ccccc1 269982a_200011218496_200025704644 [0,1,0,0,0,0|3,0,0]=4 281 B11R1.16 CCCN([13CH3])c1ccccc1 34a_200011218496_200025704644 [0,1,0,0,0,0|3,0,0]=4 282 B11R1.16 CCNC(=O)c1ccccc1 11a_100015525214_100000185807 [0,1,0,0,0,0|0,0,0]=1 283 B11R1.16 CCNC(=O)c1ccccc1 240690a_100015525214_100000185807 [0,1,0,0,0,0|0,0,0]=1 284 B11R1.16 CCNC(=O)c1ccccc1 527a_100015525214_100000185807 [0,1,0,0,0,0|0,0,0]=1 285 B11R1.16 CCNC(C)c1ccccc1 2230a_100015525214_100000230085 [0,1,0,0,0,0|1,0,1]=3 286 B11R1.16 CCNC(C)c1ccccc1 269862a_100015525214_100000185851 [0,1,0,0,0,0|1,0,1]=3 287 B11R1.16 CCNC(C)c1ccccn1 2230a_100000181244_100000210202 [0,1,0,0,0,0|2,0,1]=4 288 B11R1.16 CCNC(C)c1ccccn1 269862a_100015525214_100000210467 [0,1,0,0,0,0|2,0,1]=4 289 B11R1.16 CCNC(C)c1cccnc1 2230a_100000195435_100000210202 [0,1,0,0,0,0|2,0,1]=4 290 B11R1.16 CCNC(C)c1cccnc1 269862a_100015525214_100000210468 [0,1,0,0,0,0|2,0,1]=4 291 B11R1.16 CCNC(C)c1ccncc1 2230a_100000181269_100000210202 [0,1,0,0,0,0|2,0,1]=4 292 B11R1.16 CCNC(C)c1ccncc1 269862a_100015525214_100000185792 [0,1,0,0,0,0|2,0,1]=4 293 B11R1.16 CCN[C@H](C)c1ccccc1 2230a_100000751104_100000210202 [0,1,0,0,0,0|1,0,1]=3 294 B11R1.16 CCOC(C)c1ccccc1 34a_100121572206_100000211855 [0,1,0,0,0,0|2,0,1]=4 295 B11R1.16 CCO[C@H](C)c1ccccc1 34a_100000761318_100000210202 [0,1,0,0,0,0|2,0,1]=4 296 B11R1.16 CCO[C@H](C)c1ccccc1 7a_100000761318_100000210202 [0,1,0,0,0,0|2,0,1]=4 297 B11R1.16 CCSC(C)c1ccccc1 62a_100000210202_100000230085 [0,1,0,0,0,0|2,0,1]=4 298 B11R1.16 CCSC(C)c1ccccc1 62a_100000230085_100000210202 [0,1,0,0,0,0|2,0,1]=4 299 B11R1.16 CN(CCF)c1ccccc1 2230a_100000210012_100011217306 [0,1,0,0,0,0|3,0,0]=4 300 B11R1.16 CN(CCF)c1ccccc1 269982a_100000210012_100011217306 [0,1,0,0,0,0|3,0,0]=4 301 B11R1.16 CN(CCF)c1ccccc1 34a_100000210012_100011217306 [0,1,0,0,0,0|3,0,0]=4 302 B11R1.16 CN(CCO)c1ccccc1 2230a_100000210012_100000211926 [0,1,0,0,0,0|3,0,0]=4 303 B11R1.16 CN(CCO)c1ccccc1 2230a_100000211345_200000210301 [0,1,0,0,0,0|3,0,0]=4 304 B11R1.16 CN(CCO)c1ccccc1 269982a_100000210012_100000211926 [0,1,0,0,0,0|3,0,0]=4 305 B11R1.16 CN(CCO)c1ccccc1 269982a_100000211345_200000210301 [0,1,0,0,0,0|3,0,0]=4 306 B11R1.16 CN(CCO)c1ccccc1 34a_100000210012_100000211926 [0,1,0,0,0,0|3,0,0]=4 307 B11R1.16 CN(CCO)c1ccccc1 34a_100000211345_200000210301 [0,1,0,0,0,0|3,0,0]=4 308 B11R1.16 CNCC(=O)c1ccccc1 7a_106832991635_100000211460 [0,1,0,0,0,0|0,0,0]=1 309 B11R1.16 CNCC(=O)c1ccccn1 34a_100102657272_100000027445 [0,1,0,0,0,0|1,0,0]=2 310 B11R1.16 CNCC(=O)c1ccccn1 7a_106832991635_100000027445 [0,1,0,0,0,0|1,0,0]=2 311 B11R1.16 CNCC(=O)c1ccncc1 7a_106832991635_100015248511 [0,1,0,0,0,0|1,0,0]=2 312 B11R1.16 CNCC(C)c1ccccc1 2230a_100000701038_200000210301 [0,1,0,0,0,0|1,0,1]=3 313 B11R1.16 CNCC(C)c1ccccc1 2230a_106832991635_100000756946 [0,1,0,0,0,0|1,0,1]=3 314 B11R1.16 CNCC(C)c1ccccc1 270004a_106832991635_100000212034 [0,1,0,0,0,0|1,0,1]=3 315 B11R1.16 CNCC(C)c1ccccc1 34a_100000701038_200000210301 [0,1,0,0,0,0|1,0,1]=3 316 B11R1.16 CNCC(C)c1ccccc1 34a_100102657272_100000756946 [0,1,0,0,0,0|1,0,1]=3 317 B11R1.16 CNCC(C)c1ccccc1 7a_106832991635_100000756946 [0,1,0,0,0,0|1,0,1]=3 318 B11R1.16 CNCC(O)c1ccccc1 2230a_100000210709_200000210301 [0,1,0,0,0,0|0,0,2]=3 319 B11R1.16 CNCC(O)c1ccccc1 2230a_106832991635_100000185958 [0,1,0,0,0,0|0,0,2]=3 320 B11R1.16 CNCC(O)c1ccccc1 34a_100102657272_100000185958 [0,1,0,0,0,0|0,0,2]=3 321 B11R1.16 CNCC(O)c1ccccc1 7a_106832991635_100000185958 [0,1,0,0,0,0|0,0,2]=3 322 B11R1.16 CNCC(O)c1ccccn1 2230a_100000691469_200000210301 [0,1,0,0,0,0|1,0,2]=4 323 B11R1.16 CNCC(O)c1cccnc1 2230a_100020605170_200000210301 [0,1,0,0,0,0|1,0,2]=4 324 B11R1.16 CNC[C@@H](O)c1ccccc1 2230a_106832991635_100011933945 [0,1,0,0,0,0|0,0,2]=3 325 B11R1.16 CNC[C@@H](O)c1ccccc1 34a_100102657272_100011933945 [0,1,0,0,0,0|0,0,2]=3 326 B11R1.16 CNC[C@@H](O)c1ccccc1 7a_106832991635_100011933945 [0,1,0,0,0,0|0,0,2]=3 327 B11R1.16 CNNC(=O)c1ccccc1 22a_100016993582_100000185807 [0,1,0,0,0,0|0,0,0]=1 328 B11R1.16 COCC(=O)c1ccccn1 34a_100138415774_100000027445 [0,1,0,0,0,0|2,0,0]=3 329 B11R1.16 COCC(C)c1ccccc1 34a_100011215166_200000210301 [0,1,0,0,0,0|2,0,1]=4 330 B11R1.16 COCC(C)c1ccccc1 34a_100138415774_100000756946 [0,1,0,0,0,0|2,0,1]=4 331 B11R1.16 COCC(C)c1ccccc1 7a_100011215166_200000210301 [0,1,0,0,0,0|2,0,1]=4 332 B11R1.16 COCC(O)c1ccccc1 34a_100138415774_100000185958 [0,1,0,0,0,0|1,0,2]=4 333 B11R1.16 COCN(C)c1ccccc1 2230a_100000210012_100000766300 [0,1,0,0,0,0|3,0,0]=4 334 B11R1.16 COCN(C)c1ccccc1 269982a_100000210012_100000766300 [0,1,0,0,0,0|3,0,0]=4 335 B11R1.16 COC[C@@H](N)c1ccccc1 34a_100000751927_200000210301 [0,1,0,0,0,0|2,0,1]=4 336 B11R1.16 COC[C@@H](O)c1ccccc1 34a_100138415774_100011933945 [0,1,0,0,0,0|1,0,2]=4 337 B11R1.16 CSCC(=O)c1ccccc1 62a_100000211460_200000210301 [0,1,0,0,0,0|1,0,0]=2 338 B11R1.16 CSCC(=O)c1ccccc1 62a_200000210301_100000211460 [0,1,0,0,0,0|1,0,0]=2 339 B11R1.16 CSCC(=O)c1ccccn1 62a_100000027445_200000210301 [0,1,0,0,0,0|2,0,0]=3 340 B11R1.16 CSCC(=O)c1ccccn1 62a_200000210301_100000027445 [0,1,0,0,0,0|2,0,0]=3 341 B11R1.16 CSCC(=O)c1cccnc1 62a_100000757877_200000210301 [0,1,0,0,0,0|2,0,0]=3 342 B11R1.16 CSCC(=O)c1cccnc1 62a_200000210301_100000757877 [0,1,0,0,0,0|2,0,0]=3 343 B11R1.16 CSCC(=O)c1ccncc1 62a_100000027454_200000210301 [0,1,0,0,0,0|2,0,0]=3 344 B11R1.16 CSCC(=O)c1ccncc1 62a_200000210301_100000027454 [0,1,0,0,0,0|2,0,0]=3 345 B11R1.16 CSCC(=O)c1ncccn1 62a_100020636365_200000210301 [0,1,0,0,0,0|3,0,0]=4 346 B11R1.16 CSCC(=O)c1ncccn1 62a_200000210301_100020636365 [0,1,0,0,0,0|3,0,0]=4 347 B11R1.16 CSCC(C)c1ccccc1 62a_100000756946_200000210301 [0,1,0,0,0,0|2,0,1]=4 348 B11R1.16 CSCC(C)c1ccccc1 62a_200000210301_100000756946 [0,1,0,0,0,0|2,0,1]=4 349 B11R1.16 CSCC(O)c1ccccc1 62a_100000185958_200000210301 [0,1,0,0,0,0|1,0,2]=4 350 B11R1.16 CSCC(O)c1ccccc1 62a_200000210301_100000185958 [0,1,0,0,0,0|1,0,2]=4 351 B11R1.16 CSCN(C)c1ccccc1 2230a_100000210012_100011218213 [0,1,0,0,0,0|3,0,0]=4 352 B11R1.16 CSCN(C)c1ccccc1 269982a_100000210012_100011218213 [0,1,0,0,0,0|3,0,0]=4 353 B11R1.16 CSCN(C)c1ccccc1 34a_100000210012_100011218213 [0,1,0,0,0,0|3,0,0]=4 354 B11R1.16 CSCS(=O)c1ccccc1 62a_200000210301_100000031784 [0,1,0,0,0,0|2,0,0]=3 355 B11R1.16 CSC[C@@H](O)c1ccccc1 62a_100011933945_200000210301 [0,1,0,0,0,0|1,0,2]=4 356 B11R1.16 CSC[C@@H](O)c1ccccc1 62a_200000210301_100011933945 [0,1,0,0,0,0|1,0,2]=4 357 B11R1.16 C[C@@H](OCF)c1ccccc1 34a_100000761318_100015361967 [0,1,0,0,0,0|2,0,1]=4 358 B11R1.16 C[C@@H](OCF)c1ccccc1 7a_100000761318_100015361967 [0,1,0,0,0,0|2,0,1]=4 359 B11R1.16 N#CCC(=O)c1ccccc1 1458a_100000185807_100011214920 [0,1,0,0,0,0|1,0,1]=3 360 B11R1.16 O=C(CCF)c1ccccc1 1458a_100000185807_100011217306 [0,1,0,0,0,0|1,0,0]=2 361 B11R1.16 O=C(CCO)c1ccccc1 1458a_100000185807_100000211926 [0,1,0,0,0,0|1,0,0]=2 362 B11R1.16 [13CH3]N(CCO)c1ccccc1 2230a_100000211345_200025704644 [0,1,0,0,0,0|3,0,0]=4 363 B11R1.16 [13CH3]N(CCO)c1ccccc1 269982a_100000211345_200025704644 [0,1,0,0,0,0|3,0,0]=4 364 B11R1.16 [13CH3]N(CCO)c1ccccc1 34a_100000211345_200025704644 [0,1,0,0,0,0|3,0,0]=4 365 B11R1.16 [13CH3]NCC(O)c1ccccc1 2230a_100000210709_200025704644 [0,1,0,0,0,0|0,0,2]=3 366 B11R1.16 [13CH3]NCC(O)c1ccccn1 2230a_100000691469_200025704644 [0,1,0,0,0,0|1,0,2]=4 367 B11R1.16 [13CH3]NCC(O)c1cccnc1 2230a_100020605170_200025704644 [0,1,0,0,0,0|1,0,2]=4 368 B11R1.16 [13CH3]OC[C@@H](N)c1ccccc1 34a_100000751927_200025704644 [0,1,0,0,0,0|2,0,1]=4 369 B11R1.16 [13CH3]SCC(=O)c1ccccc1 62a_100000211460_200025704644 [0,1,0,0,0,0|1,0,0]=2 370 B11R1.16 [13CH3]SCC(=O)c1ccccc1 62a_200025704644_100000211460 [0,1,0,0,0,0|1,0,0]=2 371 B11R1.16 [13CH3]SCC(=O)c1ccccn1 62a_100000027445_200025704644 [0,1,0,0,0,0|2,0,0]=3 372 B11R1.16 [13CH3]SCC(=O)c1ccccn1 62a_200025704644_100000027445 [0,1,0,0,0,0|2,0,0]=3 373 B11R1.16 [13CH3]SCC(=O)c1cccnc1 62a_100000757877_200025704644 [0,1,0,0,0,0|2,0,0]=3 374 B11R1.16 [13CH3]SCC(=O)c1cccnc1 62a_200025704644_100000757877 [0,1,0,0,0,0|2,0,0]=3 375 B11R1.16 [13CH3]SCC(=O)c1ccncc1 62a_100000027454_200025704644 [0,1,0,0,0,0|2,0,0]=3 376 B11R1.16 [13CH3]SCC(=O)c1ccncc1 62a_200025704644_100000027454 [0,1,0,0,0,0|2,0,0]=3 377 B11R1.16 [13CH3]SCC(=O)c1ncccn1 62a_100020636365_200025704644 [0,1,0,0,0,0|3,0,0]=4 378 B11R1.16 [13CH3]SCC(=O)c1ncccn1 62a_200025704644_100020636365 [0,1,0,0,0,0|3,0,0]=4 379 B11R1.16 [13CH3]SCC(O)c1ccccc1 62a_100000185958_200025704644 [0,1,0,0,0,0|1,0,2]=4 380 B11R1.16 [13CH3]SCC(O)c1ccccc1 62a_200025704644_100000185958 [0,1,0,0,0,0|1,0,2]=4 381 B11R1.16 [13CH3]SCS(=O)c1ccccc1 62a_200025704644_100000031784 [0,1,0,0,0,0|2,0,0]=3 382 B11R1.16 [13CH3]SC[C@@H](O)c1ccccc1 62a_100011933945_200025704644 [0,1,0,0,0,0|1,0,2]=4 383 B11R1.16 [13CH3]SC[C@@H](O)c1ccccc1 62a_200025704644_100011933945 [0,1,0,0,0,0|1,0,2]=4 384 B11R1.22 CC(N[13CH3])c1ccc(cn1)Br 2230a_100000723930_200025704644 [0,1,0,0,0,0|2,0,1]=4 385 B11R1.22 CC(O[13CH3])c1ccc(cc1)Br 34a_100000745893_200025704644 [0,1,0,0,0,0|2,0,1]=4 386 B11R1.22 CC(O[13CH3])c1ccc(cc1)Br 7a_100000745893_200025704644 [0,1,0,0,0,0|2,0,1]=4 387 B11R1.22 CC(O[13CH3])c1ccc(cc1)F 34a_100000181323_200025704644 [0,1,0,0,0,0|2,0,1]=4 388 B11R1.22 CC(O[13CH3])c1ccc(cc1)F 7a_100000181323_200025704644 [0,1,0,0,0,0|2,0,1]=4 389 B11R1.22 CC(O[13CH3])c1ccc(cc1)N 34a_100011216399_200025704644 [0,1,0,0,0,0|2,0,1]=4 390 B11R1.22 CC(S[13CH3])c1ccc(cc1)Br 62a_100000755118_200025704644 [0,1,0,0,0,0|2,0,1]=4 391 B11R1.22 CC(S[13CH3])c1ccc(cc1)Br 62a_200025704644_100000755118 [0,1,0,0,0,0|2,0,1]=4 392 B11R1.22 CC(S[13CH3])c1ccc(cc1)Cl 62a_100000684792_200025704644 [0,1,0,0,0,0|2,0,1]=4 393 B11R1.22 CC(S[13CH3])c1ccc(cc1)Cl 62a_200025704644_100000684792 [0,1,0,0,0,0|2,0,1]=4 394 B11R1.22 CC(S[13CH3])c1ccc(cc1)F 62a_100000743420_200025704644 [0,1,0,0,0,0|2,0,1]=4 395 B11R1.22 CC(S[13CH3])c1ccc(cc1)F 62a_200025704644_100000743420 [0,1,0,0,0,0|2,0,1]=4 396 B11R1.22 CCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000210202 [0,1,0,0,0,0|1,0,0]=2 397 B11R1.22 CCC(=O)c1ccc(cc1)C 1458a_100000188618_100000210202 [0,1,0,0,0,0|1,0,0]=2 398 B11R1.22 CCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000210202 [0,1,0,0,0,0|1,0,0]=2 399 B11R1.22 CCC(=O)c1ccc(cc1)F 1458a_100000187176_100000210202 [0,1,0,0,0,0|1,0,0]=2 400 B11R1.22 CCC(=O)c1ccc(cc1)I 1458a_100000187904_100000210202 [0,1,0,0,0,0|1,0,0]=2 401 B11R1.22 CCC(=O)c1ccc(cc1)O 1458a_100000212099_100000210202 [0,1,0,0,0,0|1,0,0]=2 402 B11R1.22 CCC(=O)c1ccc(cc1)O 271570a_203496583355_100000211647 [0,1,0,0,0,0|1,0,0]=2 403 B11R1.22 CCC(=O)c1ccc(cn1)O 271570a_203496583355_100012351654 [0,1,0,0,0,0|2,0,0]=3 404 B11R1.22 CCC(=O)c1ncc(cn1)O 271570a_203496583355_200010116844 [0,1,0,0,0,0|3,0,0]=4 405 B11R1.22 CCC(C)c1ccc(cc1)O 271570a_203496583355_100011221364 [0,1,0,0,0,0|2,0,1]=4 406 B11R1.22 CCC(O)c1ccc(cc1)O 271570a_203496583355_100000246506 [0,1,0,0,0,0|1,0,2]=4 407 B11R1.22 CCN(C)c1ccc(cc1)Br 2230a_100000219623_100000210202 [0,1,0,0,0,0|3,0,0]=4 408 B11R1.22 CCN(C)c1ccc(cc1)Br 2230a_100000219632_200000210301 [0,1,0,0,0,0|3,0,0]=4 409 B11R1.22 CCN(C)c1ccc(cc1)Br 269982a_100000219623_100000204670 [0,1,0,0,0,0|3,0,0]=4 410 B11R1.22 CCN(C)c1ccc(cc1)Br 269982a_100000219632_200000210301 [0,1,0,0,0,0|3,0,0]=4 411 B11R1.22 CCN(C)c1ccc(cc1)Br 34a_100000219623_100000210202 [0,1,0,0,0,0|3,0,0]=4 412 B11R1.22 CCN(C)c1ccc(cc1)Br 34a_100000219632_200000210301 [0,1,0,0,0,0|3,0,0]=4 413 B11R1.22 CCN(C)c1ccc(cc1)C 2230a_100000219977_100000210202 [0,1,0,0,0,0|3,0,0]=4 414 B11R1.22 CCN(C)c1ccc(cc1)C 2230a_100000219985_200000210301 [0,1,0,0,0,0|3,0,0]=4 415 B11R1.22 CCN(C)c1ccc(cc1)C 269982a_100000219977_100000204670 [0,1,0,0,0,0|3,0,0]=4 416 B11R1.22 CCN(C)c1ccc(cc1)C 269982a_100000219985_200000210301 [0,1,0,0,0,0|3,0,0]=4 417 B11R1.22 CCN(C)c1ccc(cc1)C 34a_100000219977_100000210202 [0,1,0,0,0,0|3,0,0]=4 418 B11R1.22 CCN(C)c1ccc(cc1)C 34a_100000219985_200000210301 [0,1,0,0,0,0|3,0,0]=4 419 B11R1.22 CCN(C)c1ccc(cc1)Cl 2230a_100000220165_200000210301 [0,1,0,0,0,0|3,0,0]=4 420 B11R1.22 CCN(C)c1ccc(cc1)Cl 2230a_100020629279_100000210202 [0,1,0,0,0,0|3,0,0]=4 421 B11R1.22 CCN(C)c1ccc(cc1)Cl 269982a_100000220165_200000210301 [0,1,0,0,0,0|3,0,0]=4 422 B11R1.22 CCN(C)c1ccc(cc1)Cl 269982a_100020629279_100000204670 [0,1,0,0,0,0|3,0,0]=4 423 B11R1.22 CCN(C)c1ccc(cc1)Cl 34a_100000220165_200000210301 [0,1,0,0,0,0|3,0,0]=4 424 B11R1.22 CCN(C)c1ccc(cc1)Cl 34a_100020629279_100000210202 [0,1,0,0,0,0|3,0,0]=4 425 B11R1.22 CCN(C)c1ccc(cc1)F 2230a_100000219829_100000210202 [0,1,0,0,0,0|3,0,0]=4 426 B11R1.22 CCN(C)c1ccc(cc1)F 2230a_100102640331_200000210301 [0,1,0,0,0,0|3,0,0]=4 427 B11R1.22 CCN(C)c1ccc(cc1)F 269982a_100000219829_100000204670 [0,1,0,0,0,0|3,0,0]=4 428 B11R1.22 CCN(C)c1ccc(cc1)F 269982a_100102640331_200000210301 [0,1,0,0,0,0|3,0,0]=4 429 B11R1.22 CCN(C)c1ccc(cc1)F 34a_100000219829_100000210202 [0,1,0,0,0,0|3,0,0]=4 430 B11R1.22 CCN(C)c1ccc(cc1)F 34a_100102640331_200000210301 [0,1,0,0,0,0|3,0,0]=4 431 B11R1.22 CCN(C)c1ccc(cc1)I 2230a_100000743151_100000210202 [0,1,0,0,0,0|3,0,0]=4 432 B11R1.22 CCN(C)c1ccc(cc1)I 269982a_100000743151_100000204670 [0,1,0,0,0,0|3,0,0]=4 433 B11R1.22 CCN(C)c1ccc(cc1)I 34a_100000743151_100000210202 [0,1,0,0,0,0|3,0,0]=4 434 B11R1.22 CCN(C)c1ccc(cc1)O 2230a_100011337800_200000210301 [0,1,0,0,0,0|3,0,0]=4 435 B11R1.22 CCN(C)c1ccc(cc1)O 269982a_100000182112_100000204670 [0,1,0,0,0,0|3,0,0]=4 436 B11R1.22 CCN(C)c1ccc(cc1)O 269982a_100011337800_200000210301 [0,1,0,0,0,0|3,0,0]=4 437 B11R1.22 CCN(C)c1ccc(cc1)O 34a_100000182112_100000210202 [0,1,0,0,0,0|3,0,0]=4 438 B11R1.22 CCN(C)c1ccc(cc1)O 34a_100011337800_200000210301 [0,1,0,0,0,0|3,0,0]=4 439 B11R1.22 CCN([13CH3])c1ccc(cc1)Br 2230a_100000219632_200025704644 [0,1,0,0,0,0|3,0,0]=4 440 B11R1.22 CCN([13CH3])c1ccc(cc1)Br 269982a_100000219632_200025704644 [0,1,0,0,0,0|3,0,0]=4 441 B11R1.22 CCN([13CH3])c1ccc(cc1)Br 34a_100000219632_200025704644 [0,1,0,0,0,0|3,0,0]=4 442 B11R1.22 CCN([13CH3])c1ccc(cc1)C 2230a_100000219985_200025704644 [0,1,0,0,0,0|3,0,0]=4 443 B11R1.22 CCN([13CH3])c1ccc(cc1)C 269982a_100000219985_200025704644 [0,1,0,0,0,0|3,0,0]=4 444 B11R1.22 CCN([13CH3])c1ccc(cc1)C 34a_100000219985_200025704644 [0,1,0,0,0,0|3,0,0]=4 445 B11R1.22 CCN([13CH3])c1ccc(cc1)Cl 2230a_100000220165_200025704644 [0,1,0,0,0,0|3,0,0]=4 446 B11R1.22 CCN([13CH3])c1ccc(cc1)Cl 269982a_100000220165_200025704644 [0,1,0,0,0,0|3,0,0]=4 447 B11R1.22 CCN([13CH3])c1ccc(cc1)Cl 34a_100000220165_200025704644 [0,1,0,0,0,0|3,0,0]=4 448 B11R1.22 CCN([13CH3])c1ccc(cc1)F 2230a_100102640331_200025704644 [0,1,0,0,0,0|3,0,0]=4 449 B11R1.22 CCN([13CH3])c1ccc(cc1)F 269982a_100102640331_200025704644 [0,1,0,0,0,0|3,0,0]=4 450 B11R1.22 CCN([13CH3])c1ccc(cc1)F 34a_100102640331_200025704644 [0,1,0,0,0,0|3,0,0]=4 451 B11R1.22 CCN([13CH3])c1ccc(cc1)O 2230a_100011337800_200025704644 [0,1,0,0,0,0|3,0,0]=4 452 B11R1.22 CCN([13CH3])c1ccc(cc1)O 269982a_100011337800_200025704644 [0,1,0,0,0,0|3,0,0]=4 453 B11R1.22 CCN([13CH3])c1ccc(cc1)O 34a_100011337800_200025704644 [0,1,0,0,0,0|3,0,0]=4 454 B11R1.22 CC[C@H](N)c1ccc(cc1)O 271570a_203496583355_100025736560 [0,1,0,0,0,0|2,0,1]=4 455 B11R1.22 CNC(=O)c1ccc(cc1)Br 11a_106832991635_100000185839 [0,1,0,0,0,0|0,0,0]=1 456 B11R1.22 CNC(=O)c1ccc(cc1)Br 1626a_100102657272_100000185839 [0,1,0,0,0,0|0,0,0]=1 457 B11R1.22 CNC(=O)c1ccc(cc1)Br 240690a_100102657272_100000185839 [0,1,0,0,0,0|0,0,0]=1 458 B11R1.22 CNC(=O)c1ccc(cc1)Br 527a_100102657272_100000185839 [0,1,0,0,0,0|0,0,0]=1 459 B11R1.22 CNC(=O)c1ccc(cc1)C 11a_106832991635_100000188618 [0,1,0,0,0,0|0,0,0]=1 460 B11R1.22 CNC(=O)c1ccc(cc1)C 1626a_100102657272_100000188618 [0,1,0,0,0,0|0,0,0]=1 461 B11R1.22 CNC(=O)c1ccc(cc1)C 240690a_100102657272_100000188618 [0,1,0,0,0,0|0,0,0]=1 462 B11R1.22 CNC(=O)c1ccc(cc1)C 527a_100102657272_100000188618 [0,1,0,0,0,0|0,0,0]=1 463 B11R1.22 CNC(=O)c1ccc(cc1)Cl 11a_106832991635_100000210187 [0,1,0,0,0,0|0,0,0]=1 464 B11R1.22 CNC(=O)c1ccc(cc1)Cl 1626a_100102657272_100000210187 [0,1,0,0,0,0|0,0,0]=1 465 B11R1.22 CNC(=O)c1ccc(cc1)Cl 240690a_100102657272_100000210187 [0,1,0,0,0,0|0,0,0]=1 466 B11R1.22 CNC(=O)c1ccc(cc1)Cl 527a_100102657272_100000210187 [0,1,0,0,0,0|0,0,0]=1 467 B11R1.22 CNC(=O)c1ccc(cc1)F 11a_106832991635_100000187176 [0,1,0,0,0,0|0,0,0]=1 468 B11R1.22 CNC(=O)c1ccc(cc1)F 1626a_100102657272_100000187176 [0,1,0,0,0,0|0,0,0]=1 469 B11R1.22 CNC(=O)c1ccc(cc1)F 240690a_100102657272_100000187176 [0,1,0,0,0,0|0,0,0]=1 470 B11R1.22 CNC(=O)c1ccc(cc1)F 527a_100102657272_100000187176 [0,1,0,0,0,0|0,0,0]=1 471 B11R1.22 CNC(=O)c1ccc(cc1)I 11a_106832991635_100000187904 [0,1,0,0,0,0|0,0,0]=1 472 B11R1.22 CNC(=O)c1ccc(cc1)I 1626a_100102657272_100000187904 [0,1,0,0,0,0|0,0,0]=1 473 B11R1.22 CNC(=O)c1ccc(cc1)I 240690a_100102657272_100000187904 [0,1,0,0,0,0|0,0,0]=1 474 B11R1.22 CNC(=O)c1ccc(cc1)I 527a_100102657272_100000187904 [0,1,0,0,0,0|0,0,0]=1 475 B11R1.22 CNC(=O)c1ccc(cc1)O 240690a_100102657272_100000212099 [0,1,0,0,0,0|0,0,0]=1 476 B11R1.22 CNC(=O)c1ccc(cc1)O 271570a_203496583355_100000155074 [0,1,0,0,0,0|0,0,0]=1 477 B11R1.22 CNC(=O)c1ccc(cc1)O 527a_100102657272_100000212099 [0,1,0,0,0,0|0,0,0]=1 478 B11R1.22 CNC(=O)c1ccc(cn1)O 271570a_203496583355_100011781262 [0,1,0,0,0,0|1,0,0]=2 479 B11R1.22 CNC(=O)c1ccc(nc1)O 271570a_203496583355_100000159860 [0,1,0,0,0,0|1,0,0]=2 480 B11R1.22 CNC(=O)c1ncc(cn1)O 271570a_203496583355_200010127873 [0,1,0,0,0,0|2,0,0]=3 481 B11R1.22 CNC(C)c1cc[n+](cc1)[O-] 269862a_106832991636_100000076990 [0,1,0,0,0,0|2,0,1]=4 482 B11R1.22 CNC(C)c1ccc(cc1)Br 2230a_106832991635_100000755118 [0,1,0,0,0,0|1,0,1]=3 483 B11R1.22 CNC(C)c1ccc(cc1)Br 269862a_106832991636_100000185794 [0,1,0,0,0,0|1,0,1]=3 484 B11R1.22 CNC(C)c1ccc(cc1)Br 34a_100102657272_100000755118 [0,1,0,0,0,0|1,0,1]=3 485 B11R1.22 CNC(C)c1ccc(cc1)C 2230a_106832991635_100011261388 [0,1,0,0,0,0|1,0,1]=3 486 B11R1.22 CNC(C)c1ccc(cc1)C 269862a_106832991636_100000185793 [0,1,0,0,0,0|1,0,1]=3 487 B11R1.22 CNC(C)c1ccc(cc1)C 34a_100102657272_100011261388 [0,1,0,0,0,0|1,0,1]=3 488 B11R1.22 CNC(C)c1ccc(cc1)C 7a_106832991635_100011261388 [0,1,0,0,0,0|1,0,1]=3 489 B11R1.22 CNC(C)c1ccc(cc1)Cl 2230a_106832991635_100000684792 [0,1,0,0,0,0|1,0,1]=3 490 B11R1.22 CNC(C)c1ccc(cc1)Cl 269862a_106832991636_100000185797 [0,1,0,0,0,0|1,0,1]=3 491 B11R1.22 CNC(C)c1ccc(cc1)Cl 7a_106832991635_100000684792 [0,1,0,0,0,0|1,0,1]=3 492 B11R1.22 CNC(C)c1ccc(cc1)F 2230a_106832991635_100000743420 [0,1,0,0,0,0|1,0,1]=3 493 B11R1.22 CNC(C)c1ccc(cc1)F 269862a_106832991636_100000185800 [0,1,0,0,0,0|1,0,1]=3 494 B11R1.22 CNC(C)c1ccc(cc1)F 34a_100102657272_100000743420 [0,1,0,0,0,0|1,0,1]=3 495 B11R1.22 CNC(C)c1ccc(cc1)F 7a_106832991635_100000743420 [0,1,0,0,0,0|1,0,1]=3 496 B11R1.22 CNC(C)c1ccc(cc1)I 269862a_106832991636_100000185465 [0,1,0,0,0,0|1,0,1]=3 497 B11R1.22 CNC(C)c1ccc(cc1)O 271570a_203496583355_100000231103 [0,1,0,0,0,0|1,0,1]=3 498 B11R1.22 CNC(C)c1ccc(cn1)Br 2230a_100000723930_200000210301 [0,1,0,0,0,0|2,0,1]=4 499 B11R1.22 CNC(C)c1ccc(cn1)Br 269862a_106832991636_100000686046 [0,1,0,0,0,0|2,0,1]=4 500 B11R1.22 CNC(C)c1ccc(cn1)Br 270004a_106832991635_100000686046 [0,1,0,0,0,0|2,0,1]=4 501 B11R1.22 CNC(C)c1ccc(cn1)C 269862a_106832991636_100000084104 [0,1,0,0,0,0|2,0,1]=4 502 B11R1.22 CNC(C)c1ccc(cn1)C 270004a_106832991635_100000084104 [0,1,0,0,0,0|2,0,1]=4 503 B11R1.22 CNC(C)c1ccc(cn1)Cl 269862a_106832991636_100000692432 [0,1,0,0,0,0|2,0,1]=4 504 B11R1.22 CNC(C)c1ccc(cn1)Cl 270004a_106832991635_100000692432 [0,1,0,0,0,0|2,0,1]=4 505 B11R1.22 CNC(C)c1ccc(cn1)F 269862a_106832991636_100102946652 [0,1,0,0,0,0|2,0,1]=4 506 B11R1.22 CNC(C)c1ccc(cn1)F 270004a_106832991635_100102946652 [0,1,0,0,0,0|2,0,1]=4 507 B11R1.22 CNC(C)c1ccc(nc1)Br 269862a_106832991636_100000684857 [0,1,0,0,0,0|2,0,1]=4 508 B11R1.22 CNC(C)c1ccc(nc1)C 2230a_100011815741_200000210301 [0,1,0,0,0,0|2,0,1]=4 509 B11R1.22 CNC(C)c1ccc(nc1)C 269862a_106832991636_100011280547 [0,1,0,0,0,0|2,0,1]=4 510 B11R1.22 CNC(C)c1ccc(nc1)C 34a_100011815741_200000210301 [0,1,0,0,0,0|2,0,1]=4 511 B11R1.22 CNC(C)c1ccc(nc1)Cl 269862a_106832991636_100000690552 [0,1,0,0,0,0|2,0,1]=4 512 B11R1.22 CNC(C)c1ccc(nc1)F 269862a_106832991636_100000085738 [0,1,0,0,0,0|2,0,1]=4 513 B11R1.22 CN[C@@H](C)c1ccc(cc1)F 2230a_100025705893_200000210301 [0,1,0,0,0,0|1,0,1]=3 514 B11R1.22 CN[C@@H](C)c1ccc(cc1)F 34a_100025705893_200000210301 [0,1,0,0,0,0|1,0,1]=3 515 B11R1.22 CN[C@@H](C)c1ccc(cc1)I 2230a_100000753911_200000210301 [0,1,0,0,0,0|1,0,1]=3 516 B11R1.22 CN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_200000210301 [0,1,0,0,0,0|1,0,1]=3 517 B11R1.22 CN[C@@H](C)c1ccc(nc1)Br 2230a_100015387476_200000210301 [0,1,0,0,0,0|2,0,1]=4 518 B11R1.22 CN[C@H](C)c1ccc(cc1)Br 2230a_100000720352_200000210301 [0,1,0,0,0,0|1,0,1]=3 519 B11R1.22 CN[C@H](C)c1ccc(cc1)C 2230a_100016988085_200000210301 [0,1,0,0,0,0|1,0,1]=3 520 B11R1.22 CN[C@H](C)c1ccc(cc1)C 34a_100016988085_200000210301 [0,1,0,0,0,0|1,0,1]=3 521 B11R1.22 CN[C@H](C)c1ccc(cc1)Cl 2230a_100015205461_200000210301 [0,1,0,0,0,0|1,0,1]=3 522 B11R1.22 CN[C@H](C)c1ccc(cc1)Cl 34a_100015205461_200000210301 [0,1,0,0,0,0|1,0,1]=3 523 B11R1.22 COC(=O)c1ccc(cc1)O 271570a_203496583355_100000150774 [0,1,0,0,0,0|1,0,0]=2 524 B11R1.22 COC(=O)c1ccc(cn1)O 271570a_203496583355_100000690920 [0,1,0,0,0,0|2,0,0]=3 525 B11R1.22 COC(=O)c1ccc(nc1)O 271570a_203496583355_100000733799 [0,1,0,0,0,0|2,0,0]=3 526 B11R1.22 COC(=O)c1ccc(nn1)O 271570a_203496583355_100009816182 [0,1,0,0,0,0|3,0,0]=4 527 B11R1.22 COC(=O)c1cnc(cn1)O 271570a_203496583355_100010219404 [0,1,0,0,0,0|3,0,0]=4 528 B11R1.22 COC(=O)c1cnc(nc1)O 271570a_203496583355_100000729365 [0,1,0,0,0,0|3,0,0]=4 529 B11R1.22 COC(=O)c1ncc(cn1)O 271570a_203496583355_100000690087 [0,1,0,0,0,0|3,0,0]=4 530 B11R1.22 COC(C)c1ccc(cc1)Br 34a_100000745893_200000210301 [0,1,0,0,0,0|2,0,1]=4 531 B11R1.22 COC(C)c1ccc(cc1)Br 34a_100138415774_100000755118 [0,1,0,0,0,0|2,0,1]=4 532 B11R1.22 COC(C)c1ccc(cc1)Br 7a_100000745893_200000210301 [0,1,0,0,0,0|2,0,1]=4 533 B11R1.22 COC(C)c1ccc(cc1)C 34a_100138415774_100011261388 [0,1,0,0,0,0|2,0,1]=4 534 B11R1.22 COC(C)c1ccc(cc1)F 34a_100000181323_200000210301 [0,1,0,0,0,0|2,0,1]=4 535 B11R1.22 COC(C)c1ccc(cc1)F 34a_100138415774_100000743420 [0,1,0,0,0,0|2,0,1]=4 536 B11R1.22 COC(C)c1ccc(cc1)F 7a_100000181323_200000210301 [0,1,0,0,0,0|2,0,1]=4 537 B11R1.22 COC(C)c1ccc(cc1)N 34a_100011216399_200000210301 [0,1,0,0,0,0|2,0,1]=4 538 B11R1.22 COC(C)c1ccc(cc1)O 271570a_203496583355_100010254937 [0,1,0,0,0,0|2,0,1]=4 539 B11R1.22 CO[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_200000210301 [0,1,0,0,0,0|2,0,1]=4 540 B11R1.22 CO[C@@H](C)c1ccc(cc1)Cl 7a_100011852131_200000210301 [0,1,0,0,0,0|2,0,1]=4 541 B11R1.22 CO[C@H](C)c1ccc(cc1)C 34a_100000690690_200000210301 [0,1,0,0,0,0|2,0,1]=4 542 B11R1.22 CO[C@H](C)c1ccc(cc1)C 7a_100000690690_200000210301 [0,1,0,0,0,0|2,0,1]=4 543 B11R1.22 CSC(C)c1ccc(cc1)Br 62a_100000755118_200000210301 [0,1,0,0,0,0|2,0,1]=4 544 B11R1.22 CSC(C)c1ccc(cc1)Br 62a_200000210301_100000755118 [0,1,0,0,0,0|2,0,1]=4 545 B11R1.22 CSC(C)c1ccc(cc1)C 62a_100011261388_200000210301 [0,1,0,0,0,0|2,0,1]=4 546 B11R1.22 CSC(C)c1ccc(cc1)C 62a_200000210301_100011261388 [0,1,0,0,0,0|2,0,1]=4 547 B11R1.22 CSC(C)c1ccc(cc1)Cl 62a_100000684792_200000210301 [0,1,0,0,0,0|2,0,1]=4 548 B11R1.22 CSC(C)c1ccc(cc1)Cl 62a_200000210301_100000684792 [0,1,0,0,0,0|2,0,1]=4 549 B11R1.22 CSC(C)c1ccc(cc1)F 62a_100000743420_200000210301 [0,1,0,0,0,0|2,0,1]=4 550 B11R1.22 CSC(C)c1ccc(cc1)F 62a_200000210301_100000743420 [0,1,0,0,0,0|2,0,1]=4 551 B11R1.22 C[C@@H](N[13CH3])c1ccc(cc1)Br 2230a_100000720352_200025704644 [0,1,0,0,0,0|1,0,1]=3 552 B11R1.22 C[C@@H](N[13CH3])c1ccc(cc1)Cl 2230a_100015205461_200025704644 [0,1,0,0,0,0|1,0,1]=3 553 B11R1.22 C[C@@H](N[13CH3])c1ccc(cc1)Cl 34a_100015205461_200025704644 [0,1,0,0,0,0|1,0,1]=3 554 B11R1.22 C[C@H](N[13CH3])c1ccc(cc1)F 2230a_100025705893_200025704644 [0,1,0,0,0,0|1,0,1]=3 555 B11R1.22 C[C@H](N[13CH3])c1ccc(cc1)F 34a_100025705893_200025704644 [0,1,0,0,0,0|1,0,1]=3 556 B11R1.22 C[C@H](N[13CH3])c1ccc(cc1)I 2230a_100000753911_200025704644 [0,1,0,0,0,0|1,0,1]=3 557 B11R1.22 C[C@H](N[13CH3])c1ccc(cc1)O 2230a_100161106496_200025704644 [0,1,0,0,0,0|1,0,1]=3 558 B11R1.22 C[C@H](N[13CH3])c1ccc(nc1)Br 2230a_100015387476_200025704644 [0,1,0,0,0,0|2,0,1]=4 559 B11R1.22 C[C@H](O[13CH3])c1ccc(cc1)Cl 34a_100011852131_200025704644 [0,1,0,0,0,0|2,0,1]=4 560 B11R1.22 C[C@H](O[13CH3])c1ccc(cc1)Cl 7a_100011852131_200025704644 [0,1,0,0,0,0|2,0,1]=4 561 B11R1.22 Cc1ccc(cc1)C(=O)CF 1458a_100000188618_100015361967 [0,1,0,0,0,0|2,0,0]=3 562 B11R1.22 Cc1ccc(cc1)C(C)S[13CH3] 62a_100011261388_200025704644 [0,1,0,0,0,0|2,0,1]=4 563 B11R1.22 Cc1ccc(cc1)C(C)S[13CH3] 62a_200025704644_100011261388 [0,1,0,0,0,0|2,0,1]=4 564 B11R1.22 Cc1ccc(cc1)[C@@H](C)N[13CH3] 2230a_100016988085_200025704644 [0,1,0,0,0,0|1,0,1]=3 565 B11R1.22 Cc1ccc(cc1)[C@@H](C)N[13CH3] 34a_100016988085_200025704644 [0,1,0,0,0,0|1,0,1]=3 566 B11R1.22 Cc1ccc(cc1)[C@@H](C)O[13CH3] 34a_100000690690_200025704644 [0,1,0,0,0,0|2,0,1]=4 567 B11R1.22 Cc1ccc(cc1)[C@@H](C)O[13CH3] 7a_100000690690_200025704644 [0,1,0,0,0,0|2,0,1]=4 568 B11R1.22 Cc1ccc(cn1)C(C)N[13CH3] 2230a_100011815741_200025704644 [0,1,0,0,0,0|2,0,1]=4 569 B11R1.22 Cc1ccc(cn1)C(C)N[13CH3] 34a_100011815741_200025704644 [0,1,0,0,0,0|2,0,1]=4 570 B11R1.22 N#CC(=O)c1ccc(cc1)O 271570a_203496583355_100009994572 [0,1,0,0,0,0|2,0,0]=3 571 B11R1.22 NCC(=O)c1ccc(cc1)O 271570a_203496583355_100000017248 [0,1,0,0,0,0|2,0,0]=3 572 B11R1.22 NNC(=O)c1ccc(cc1)O 271570a_203496583355_100000183614 [0,1,0,0,0,0|1,0,0]=2 573 B11R1.22 NNC(=O)c1ccc(cn1)O 271570a_203496583355_100011781063 [0,1,0,0,0,0|2,0,0]=3 574 B11R1.22 NNC(=O)c1ccc(nc1)O 271570a_203496583355_100000189807 [0,1,0,0,0,0|2,0,0]=3 575 B11R1.22 NNC(=O)c1cnc(cn1)O 271570a_203496583355_200012021860 [0,1,0,0,0,0|3,0,0]=4 576 B11R1.22 NNC(=O)c1ncc(cn1)O 271570a_203496583355_100009996755 [0,1,0,0,0,0|3,0,0]=4 577 B11R1.22 O=C(CF)c1ccc(cc1)Br 1458a_100000185839_100015361967 [0,1,0,0,0,0|2,0,0]=3 578 B11R1.22 O=C(CF)c1ccc(cc1)Cl 1458a_100000210187_100015361967 [0,1,0,0,0,0|2,0,0]=3 579 B11R1.22 O=C(CF)c1ccc(cc1)F 1458a_100000187176_100015361967 [0,1,0,0,0,0|2,0,0]=3 580 B11R1.22 O=C(CF)c1ccc(cc1)I 1458a_100000187904_100015361967 [0,1,0,0,0,0|2,0,0]=3 581 B11R1.22 O=C(CF)c1ccc(cc1)O 1458a_100000212099_100015361967 [0,1,0,0,0,0|2,0,0]=3 582 B11R1.22 O=C(CO)c1ccc(cc1)O 271570a_203496583355_100011219529 [0,1,0,0,0,0|2,0,0]=3 583 B11R1.22 O=CC(=O)c1ccc(cc1)O 271570a_203496583355_100000725942 [0,1,0,0,0,0|2,0,0]=3 584 B11R1.22 [2H]C(OC)c1ccc(cc1)F 34a_217856618577_200000210301 [0,1,0,0,0,0|2,0,1]=4 585 B11R1.22 [2H]C(OC)c1ccc(cc1)F 7a_217856618577_200000210301 [0,1,0,0,0,0|2,0,1]=4 586 B11R1.22 [2H]C(O[13CH3])c1ccc(cc1)F 34a_217856618577_200025704644 [0,1,0,0,0,0|2,0,1]=4 587 B11R1.22 [2H]C(O[13CH3])c1ccc(cc1)F 7a_217856618577_200025704644 [0,1,0,0,0,0|2,0,1]=4 588 B11R1.23 CC(N[13CH3])c1cccc(c1)Br 2230a_100020642005_200025704644 [0,1,0,0,0,0|1,0,1]=3 589 B11R1.23 CC(N[13CH3])c1cccc(c1)Cl 2230a_100102723534_200025704644 [0,1,0,0,0,0|1,0,1]=3 590 B11R1.23 CC(N[13CH3])c1cccc(c1)Cl 34a_100102723534_200025704644 [0,1,0,0,0,0|1,0,1]=3 591 B11R1.23 CC(N[13CH3])c1cccc(c1)O 2230a_100000740644_200025704644 [0,1,0,0,0,0|1,0,1]=3 592 B11R1.23 CC(N[13CH3])c1cccc(n1)Br 2230a_200010173468_200025704644 [0,1,0,0,0,0|2,0,1]=4 593 B11R1.23 CC(O[13CH3])c1cccc(c1)Br 34a_100000246457_200025704644 [0,1,0,0,0,0|2,0,1]=4 594 B11R1.23 CC(O[13CH3])c1cccc(c1)Br 7a_100000246457_200025704644 [0,1,0,0,0,0|2,0,1]=4 595 B11R1.23 CC(O[13CH3])c1cccc(c1)F 34a_100000744526_200025704644 [0,1,0,0,0,0|2,0,1]=4 596 B11R1.23 CC(O[13CH3])c1cccc(c1)F 7a_100000744526_200025704644 [0,1,0,0,0,0|2,0,1]=4 597 B11R1.23 CC(O[13CH3])c1cccc(c1)I 34a_100013085317_200025704644 [0,1,0,0,0,0|2,0,1]=4 598 B11R1.23 CC(O[13CH3])c1cccc(c1)I 7a_100013085317_200025704644 [0,1,0,0,0,0|2,0,1]=4 599 B11R1.23 CC(O[13CH3])c1cccc(c1)N 34a_100011217120_200025704644 [0,1,0,0,0,0|2,0,1]=4 600 B11R1.23 CC(O[13CH3])c1cccc(c1)N 7a_100011217120_200025704644 [0,1,0,0,0,0|2,0,1]=4 601 B11R1.23 CCC(=O)c1cc(ccn1)O 271570a_203496583355_200000094848 [0,1,0,0,0,0|2,0,0]=3 602 B11R1.23 CCC(=O)c1cccc(c1)Br 1458a_100000210664_100000210202 [0,1,0,0,0,0|1,0,0]=2 603 B11R1.23 CCC(=O)c1cccc(c1)C 1458a_100000189346_100000210202 [0,1,0,0,0,0|1,0,0]=2 604 B11R1.23 CCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000210202 [0,1,0,0,0,0|1,0,0]=2 605 B11R1.23 CCC(=O)c1cccc(c1)F 1458a_100000210950_100000210202 [0,1,0,0,0,0|1,0,0]=2 606 B11R1.23 CCC(=O)c1cccc(c1)I 1458a_100000184098_100000210202 [0,1,0,0,0,0|1,0,0]=2 607 B11R1.23 CCC(=O)c1cccc(c1)O 1458a_100000183914_100000210202 [0,1,0,0,0,0|1,0,0]=2 608 B11R1.23 CCC(=O)c1cccc(c1)O 271570a_203496583355_100000211677 [0,1,0,0,0,0|1,0,0]=2 609 B11R1.23 CCC(=O)c1cccc(n1)O 271570a_203496583355_100011004013 [0,1,0,0,0,0|2,0,0]=3 610 B11R1.23 CCC(O)c1cccc(c1)O 271570a_203496583355_200013212081 [0,1,0,0,0,0|1,0,2]=4 611 B11R1.23 CCN(C)c1cccc(c1)Br 2230a_100000219648_100000210202 [0,1,0,0,0,0|3,0,0]=4 612 B11R1.23 CCN(C)c1cccc(c1)Br 2230a_100000738899_200000210301 [0,1,0,0,0,0|3,0,0]=4 613 B11R1.23 CCN(C)c1cccc(c1)Br 269982a_100000219648_100000204670 [0,1,0,0,0,0|3,0,0]=4 614 B11R1.23 CCN(C)c1cccc(c1)Br 269982a_100000738899_200000210301 [0,1,0,0,0,0|3,0,0]=4 615 B11R1.23 CCN(C)c1cccc(c1)Br 34a_100000219648_100000210202 [0,1,0,0,0,0|3,0,0]=4 616 B11R1.23 CCN(C)c1cccc(c1)Br 34a_100000738899_200000210301 [0,1,0,0,0,0|3,0,0]=4 617 B11R1.23 CCN(C)c1cccc(c1)C 2230a_100000182157_200000210301 [0,1,0,0,0,0|3,0,0]=4 618 B11R1.23 CCN(C)c1cccc(c1)C 2230a_100000219674_100000210202 [0,1,0,0,0,0|3,0,0]=4 619 B11R1.23 CCN(C)c1cccc(c1)C 269982a_100000182157_200000210301 [0,1,0,0,0,0|3,0,0]=4 620 B11R1.23 CCN(C)c1cccc(c1)C 269982a_100000219674_100000204670 [0,1,0,0,0,0|3,0,0]=4 621 B11R1.23 CCN(C)c1cccc(c1)C 34a_100000182157_200000210301 [0,1,0,0,0,0|3,0,0]=4 622 B11R1.23 CCN(C)c1cccc(c1)C 34a_100000219674_100000210202 [0,1,0,0,0,0|3,0,0]=4 623 B11R1.23 CCN(C)c1cccc(c1)C 7a_100000182157_200000210301 [0,1,0,0,0,0|3,0,0]=4 624 B11R1.23 CCN(C)c1cccc(c1)Cl 2230a_100000220044_100000210202 [0,1,0,0,0,0|3,0,0]=4 625 B11R1.23 CCN(C)c1cccc(c1)Cl 269982a_100000220044_100000204670 [0,1,0,0,0,0|3,0,0]=4 626 B11R1.23 CCN(C)c1cccc(c1)Cl 34a_100000220044_100000210202 [0,1,0,0,0,0|3,0,0]=4 627 B11R1.23 CCN(C)c1cccc(c1)F 2230a_100020633736_100000210202 [0,1,0,0,0,0|3,0,0]=4 628 B11R1.23 CCN(C)c1cccc(c1)F 269982a_100020633736_100000204670 [0,1,0,0,0,0|3,0,0]=4 629 B11R1.23 CCN(C)c1cccc(c1)F 34a_100020633736_100000210202 [0,1,0,0,0,0|3,0,0]=4 630 B11R1.23 CCN(C)c1cccc(c1)I 2230a_100000221217_100000210202 [0,1,0,0,0,0|3,0,0]=4 631 B11R1.23 CCN(C)c1cccc(c1)I 269982a_100000221217_100000204670 [0,1,0,0,0,0|3,0,0]=4 632 B11R1.23 CCN(C)c1cccc(c1)I 34a_100000221217_100000210202 [0,1,0,0,0,0|3,0,0]=4 633 B11R1.23 CCN(C)c1cccc(c1)O 2230a_100000717746_200000210301 [0,1,0,0,0,0|3,0,0]=4 634 B11R1.23 CCN(C)c1cccc(c1)O 2230a_100000756613_100000210202 [0,1,0,0,0,0|3,0,0]=4 635 B11R1.23 CCN(C)c1cccc(c1)O 269982a_100000717746_200000210301 [0,1,0,0,0,0|3,0,0]=4 636 B11R1.23 CCN(C)c1cccc(c1)O 269982a_100000756613_100000204670 [0,1,0,0,0,0|3,0,0]=4 637 B11R1.23 CCN(C)c1cccc(c1)O 34a_100000717746_200000210301 [0,1,0,0,0,0|3,0,0]=4 638 B11R1.23 CCN(C)c1cccc(c1)O 34a_100000756613_100000210202 [0,1,0,0,0,0|3,0,0]=4 639 B11R1.23 CCN([13CH3])c1cccc(c1)Br 2230a_100000738899_200025704644 [0,1,0,0,0,0|3,0,0]=4 640 B11R1.23 CCN([13CH3])c1cccc(c1)Br 269982a_100000738899_200025704644 [0,1,0,0,0,0|3,0,0]=4 641 B11R1.23 CCN([13CH3])c1cccc(c1)Br 34a_100000738899_200025704644 [0,1,0,0,0,0|3,0,0]=4 642 B11R1.23 CCN([13CH3])c1cccc(c1)C 2230a_100000182157_200025704644 [0,1,0,0,0,0|3,0,0]=4 643 B11R1.23 CCN([13CH3])c1cccc(c1)C 269982a_100000182157_200025704644 [0,1,0,0,0,0|3,0,0]=4 644 B11R1.23 CCN([13CH3])c1cccc(c1)C 34a_100000182157_200025704644 [0,1,0,0,0,0|3,0,0]=4 645 B11R1.23 CCN([13CH3])c1cccc(c1)C 7a_100000182157_200025704644 [0,1,0,0,0,0|3,0,0]=4 646 B11R1.23 CCN([13CH3])c1cccc(c1)O 2230a_100000717746_200025704644 [0,1,0,0,0,0|3,0,0]=4 647 B11R1.23 CCN([13CH3])c1cccc(c1)O 269982a_100000717746_200025704644 [0,1,0,0,0,0|3,0,0]=4 648 B11R1.23 CCN([13CH3])c1cccc(c1)O 34a_100000717746_200025704644 [0,1,0,0,0,0|3,0,0]=4 649 B11R1.23 CC[C@H](N)c1cccc(c1)O 271570a_203496583355_100102422761 [0,1,0,0,0,0|2,0,1]=4 650 B11R1.23 CNC(=O)c1cc(ccn1)O 271570a_203496583355_100000204654 [0,1,0,0,0,0|1,0,0]=2 651 B11R1.23 CNC(=O)c1cccc(c1)Br 11a_106832991635_100000210664 [0,1,0,0,0,0|0,0,0]=1 652 B11R1.23 CNC(=O)c1cccc(c1)Br 1626a_100102657272_100000210664 [0,1,0,0,0,0|0,0,0]=1 653 B11R1.23 CNC(=O)c1cccc(c1)Br 240690a_100102657272_100000210664 [0,1,0,0,0,0|0,0,0]=1 654 B11R1.23 CNC(=O)c1cccc(c1)Br 527a_100102657272_100000210664 [0,1,0,0,0,0|0,0,0]=1 655 B11R1.23 CNC(=O)c1cccc(c1)C 11a_106832991635_100000189346 [0,1,0,0,0,0|0,0,0]=1 656 B11R1.23 CNC(=O)c1cccc(c1)C 1626a_100102657272_100000189346 [0,1,0,0,0,0|0,0,0]=1 657 B11R1.23 CNC(=O)c1cccc(c1)C 240690a_100102657272_100000189346 [0,1,0,0,0,0|0,0,0]=1 658 B11R1.23 CNC(=O)c1cccc(c1)C 527a_100102657272_100000189346 [0,1,0,0,0,0|0,0,0]=1 659 B11R1.23 CNC(=O)c1cccc(c1)Cl 11a_106832991635_100000210390 [0,1,0,0,0,0|0,0,0]=1 660 B11R1.23 CNC(=O)c1cccc(c1)Cl 1626a_100102657272_100000210390 [0,1,0,0,0,0|0,0,0]=1 661 B11R1.23 CNC(=O)c1cccc(c1)Cl 240690a_100102657272_100000210390 [0,1,0,0,0,0|0,0,0]=1 662 B11R1.23 CNC(=O)c1cccc(c1)Cl 527a_100102657272_100000210390 [0,1,0,0,0,0|0,0,0]=1 663 B11R1.23 CNC(=O)c1cccc(c1)F 11a_106832991635_100000210950 [0,1,0,0,0,0|0,0,0]=1 664 B11R1.23 CNC(=O)c1cccc(c1)F 1626a_100102657272_100000210950 [0,1,0,0,0,0|0,0,0]=1 665 B11R1.23 CNC(=O)c1cccc(c1)F 240690a_100102657272_100000210950 [0,1,0,0,0,0|0,0,0]=1 666 B11R1.23 CNC(=O)c1cccc(c1)F 527a_100102657272_100000210950 [0,1,0,0,0,0|0,0,0]=1 667 B11R1.23 CNC(=O)c1cccc(c1)I 11a_106832991635_100000184098 [0,1,0,0,0,0|0,0,0]=1 668 B11R1.23 CNC(=O)c1cccc(c1)I 1626a_100102657272_100000184098 [0,1,0,0,0,0|0,0,0]=1 669 B11R1.23 CNC(=O)c1cccc(c1)I 240690a_100102657272_100000184098 [0,1,0,0,0,0|0,0,0]=1 670 B11R1.23 CNC(=O)c1cccc(c1)I 527a_100102657272_100000184098 [0,1,0,0,0,0|0,0,0]=1 671 B11R1.23 CNC(=O)c1cccc(c1)O 240690a_100102657272_100000183914 [0,1,0,0,0,0|0,0,0]=1 672 B11R1.23 CNC(=O)c1cccc(c1)O 271570a_203496583355_100000155082 [0,1,0,0,0,0|0,0,0]=1 673 B11R1.23 CNC(=O)c1cccc(c1)O 527a_100102657272_100000183914 [0,1,0,0,0,0|0,0,0]=1 674 B11R1.23 CNC(=O)c1cccc(n1)O 271570a_203496583355_100000755456 [0,1,0,0,0,0|1,0,0]=2 675 B11R1.23 CNC(=O)c1ccnc(c1)O 271570a_203496583355_100011196506 [0,1,0,0,0,0|1,0,0]=2 676 B11R1.23 CNC(=O)c1cncc(c1)O 271570a_203496583355_200000155086 [0,1,0,0,0,0|1,0,0]=2 677 B11R1.23 CNC(C)c1cc(ccn1)Br 269862a_106832991636_100000709912 [0,1,0,0,0,0|2,0,1]=4 678 B11R1.23 CNC(C)c1cc(ccn1)Br 270004a_106832991635_100000709912 [0,1,0,0,0,0|2,0,1]=4 679 B11R1.23 CNC(C)c1cc(ccn1)C 2230a_100011933787_200000210301 [0,1,0,0,0,0|2,0,1]=4 680 B11R1.23 CNC(C)c1cc(ccn1)C 269862a_106832991636_100000728896 [0,1,0,0,0,0|2,0,1]=4 681 B11R1.23 CNC(C)c1cc(ccn1)C 270004a_106832991635_100000728896 [0,1,0,0,0,0|2,0,1]=4 682 B11R1.23 CNC(C)c1cc(ccn1)Cl 269862a_106832991636_100000099826 [0,1,0,0,0,0|2,0,1]=4 683 B11R1.23 CNC(C)c1cc(ccn1)Cl 270004a_106832991635_100000099826 [0,1,0,0,0,0|2,0,1]=4 684 B11R1.23 CNC(C)c1cccc(c1)Br 2230a_100020642005_200000210301 [0,1,0,0,0,0|1,0,1]=3 685 B11R1.23 CNC(C)c1cccc(c1)Br 269862a_106832991636_100000210093 [0,1,0,0,0,0|1,0,1]=3 686 B11R1.23 CNC(C)c1cccc(c1)C 269862a_106832991636_100000211476 [0,1,0,0,0,0|1,0,1]=3 687 B11R1.23 CNC(C)c1cccc(c1)Cl 2230a_100102723534_200000210301 [0,1,0,0,0,0|1,0,1]=3 688 B11R1.23 CNC(C)c1cccc(c1)Cl 269862a_106832991636_200000210964 [0,1,0,0,0,0|1,0,1]=3 689 B11R1.23 CNC(C)c1cccc(c1)Cl 34a_100102723534_200000210301 [0,1,0,0,0,0|1,0,1]=3 690 B11R1.23 CNC(C)c1cccc(c1)F 269862a_106832991636_100000187083 [0,1,0,0,0,0|1,0,1]=3 691 B11R1.23 CNC(C)c1cccc(c1)I 269862a_106832991636_100011356966 [0,1,0,0,0,0|1,0,1]=3 692 B11R1.23 CNC(C)c1cccc(c1)O 2230a_100000740644_200000210301 [0,1,0,0,0,0|1,0,1]=3 693 B11R1.23 CNC(C)c1cccc(c1)O 269862a_106832991636_100000211620 [0,1,0,0,0,0|1,0,1]=3 694 B11R1.23 CNC(C)c1cccc(c1)O 271570a_203496583355_100025717457 [0,1,0,0,0,0|1,0,1]=3 695 B11R1.23 CNC(C)c1cccc(n1)Br 2230a_200010173468_200000210301 [0,1,0,0,0,0|2,0,1]=4 696 B11R1.23 CNC(C)c1cccc(n1)Br 269862a_106832991636_100009816502 [0,1,0,0,0,0|2,0,1]=4 697 B11R1.23 CNC(C)c1cccc(n1)C 2230a_100011877385_200000210301 [0,1,0,0,0,0|2,0,1]=4 698 B11R1.23 CNC(C)c1cccc(n1)C 269862a_106832991636_100011877301 [0,1,0,0,0,0|2,0,1]=4 699 B11R1.23 CNC(C)c1cccc(n1)Cl 269862a_106832991636_100000085735 [0,1,0,0,0,0|2,0,1]=4 700 B11R1.23 CNC(C)c1cccc(n1)F 269862a_106832991636_100000092306 [0,1,0,0,0,0|2,0,1]=4 701 B11R1.23 CNC(C)c1ccnc(c1)Br 269862a_106832991636_100010177706 [0,1,0,0,0,0|2,0,1]=4 702 B11R1.23 CNC(C)c1ccnc(c1)C 269862a_106832991636_100011998260 [0,1,0,0,0,0|2,0,1]=4 703 B11R1.23 CNC(C)c1ccnc(c1)Cl 269862a_106832991636_100000685609 [0,1,0,0,0,0|2,0,1]=4 704 B11R1.23 CNC(C)c1cncc(c1)Br 269862a_106832991636_100011216243 [0,1,0,0,0,0|2,0,1]=4 705 B11R1.23 CNC(C)c1cncc(c1)C 269862a_106832991636_100000702010 [0,1,0,0,0,0|2,0,1]=4 706 B11R1.23 CNC(C)c1cncc(c1)F 269862a_106832991636_100000758212 [0,1,0,0,0,0|2,0,1]=4 707 B11R1.23 CN[C@@H](C)c1cccc(n1)F 2230a_100025709760_200000210301 [0,1,0,0,0,0|2,0,1]=4 708 B11R1.23 CN[C@@H](C)c1cccc(n1)F 34a_100025709760_200000210301 [0,1,0,0,0,0|2,0,1]=4 709 B11R1.23 CN[C@H](C)c1cccc(c1)C 2230a_100000698126_200000210301 [0,1,0,0,0,0|1,0,1]=3 710 B11R1.23 CN[C@H](C)c1cccc(c1)C 34a_100000698126_200000210301 [0,1,0,0,0,0|1,0,1]=3 711 B11R1.23 CN[C@H](C)c1cccc(c1)F 2230a_100015193778_200000210301 [0,1,0,0,0,0|1,0,1]=3 712 B11R1.23 CN[C@H](C)c1cccc(c1)F 34a_100015193778_200000210301 [0,1,0,0,0,0|1,0,1]=3 713 B11R1.23 CN[C@H](C)c1cncc(c1)Br 2230a_100012350620_200000210301 [0,1,0,0,0,0|2,0,1]=4 714 B11R1.23 COC(=O)c1cc(ccn1)O 271570a_203496583355_100000693414 [0,1,0,0,0,0|2,0,0]=3 715 B11R1.23 COC(=O)c1cc(ncn1)O 271570a_203496583355_100000051410 [0,1,0,0,0,0|3,0,0]=4 716 B11R1.23 COC(=O)c1cccc(c1)O 271570a_203496583355_100000148679 [0,1,0,0,0,0|1,0,0]=2 717 B11R1.23 COC(=O)c1cccc(n1)O 271570a_203496583355_100000708286 [0,1,0,0,0,0|2,0,0]=3 718 B11R1.23 COC(=O)c1ccnc(c1)O 271570a_203496583355_100011934382 [0,1,0,0,0,0|2,0,0]=3 719 B11R1.23 COC(=O)c1ccnc(n1)O 271570a_203496583355_100000070389 [0,1,0,0,0,0|3,0,0]=4 720 B11R1.23 COC(=O)c1cncc(c1)O 271570a_203496583355_100000148912 [0,1,0,0,0,0|2,0,0]=3 721 B11R1.23 COC(=O)c1cncc(n1)O 271570a_203496583355_100000765340 [0,1,0,0,0,0|3,0,0]=4 722 B11R1.23 COC(=O)c1cnnc(c1)O 271570a_203496583355_100009862058 [0,1,0,0,0,0|3,0,0]=4 723 B11R1.23 COC(C)c1cccc(c1)Br 34a_100000246457_200000210301 [0,1,0,0,0,0|2,0,1]=4 724 B11R1.23 COC(C)c1cccc(c1)Br 7a_100000246457_200000210301 [0,1,0,0,0,0|2,0,1]=4 725 B11R1.23 COC(C)c1cccc(c1)C 34a_100000757818_200000210301 [0,1,0,0,0,0|2,0,1]=4 726 B11R1.23 COC(C)c1cccc(c1)C 7a_100000757818_200000210301 [0,1,0,0,0,0|2,0,1]=4 727 B11R1.23 COC(C)c1cccc(c1)F 34a_100000744526_200000210301 [0,1,0,0,0,0|2,0,1]=4 728 B11R1.23 COC(C)c1cccc(c1)F 7a_100000744526_200000210301 [0,1,0,0,0,0|2,0,1]=4 729 B11R1.23 COC(C)c1cccc(c1)I 34a_100013085317_200000210301 [0,1,0,0,0,0|2,0,1]=4 730 B11R1.23 COC(C)c1cccc(c1)I 7a_100013085317_200000210301 [0,1,0,0,0,0|2,0,1]=4 731 B11R1.23 COC(C)c1cccc(c1)N 34a_100011217120_200000210301 [0,1,0,0,0,0|2,0,1]=4 732 B11R1.23 COC(C)c1cccc(c1)N 7a_100011217120_200000210301 [0,1,0,0,0,0|2,0,1]=4 733 B11R1.23 CO[C@H](C)c1cccc(c1)Cl 34a_100000747380_200000210301 [0,1,0,0,0,0|2,0,1]=4 734 B11R1.23 CO[C@H](C)c1cccc(c1)Cl 7a_100000747380_200000210301 [0,1,0,0,0,0|2,0,1]=4 735 B11R1.23 C[C@@H](N[13CH3])c1cccc(c1)F 2230a_100015193778_200025704644 [0,1,0,0,0,0|1,0,1]=3 736 B11R1.23 C[C@@H](N[13CH3])c1cccc(c1)F 34a_100015193778_200025704644 [0,1,0,0,0,0|1,0,1]=3 737 B11R1.23 C[C@@H](N[13CH3])c1cncc(c1)Br 2230a_100012350620_200025704644 [0,1,0,0,0,0|2,0,1]=4 738 B11R1.23 C[C@@H](O[13CH3])c1cccc(c1)Cl 34a_100000747380_200025704644 [0,1,0,0,0,0|2,0,1]=4 739 B11R1.23 C[C@@H](O[13CH3])c1cccc(c1)Cl 7a_100000747380_200025704644 [0,1,0,0,0,0|2,0,1]=4 740 B11R1.23 C[C@H](N[13CH3])c1cccc(n1)F 2230a_100025709760_200025704644 [0,1,0,0,0,0|2,0,1]=4 741 B11R1.23 C[C@H](N[13CH3])c1cccc(n1)F 34a_100025709760_200025704644 [0,1,0,0,0,0|2,0,1]=4 742 B11R1.23 Cc1cccc(c1)C(=O)CF 1458a_100000189346_100015361967 [0,1,0,0,0,0|2,0,0]=3 743 B11R1.23 Cc1cccc(c1)C(C)O[13CH3] 34a_100000757818_200025704644 [0,1,0,0,0,0|2,0,1]=4 744 B11R1.23 Cc1cccc(c1)C(C)O[13CH3] 7a_100000757818_200025704644 [0,1,0,0,0,0|2,0,1]=4 745 B11R1.23 Cc1cccc(c1)[C@@H](C)N[13CH3] 2230a_100000698126_200025704644 [0,1,0,0,0,0|1,0,1]=3 746 B11R1.23 Cc1cccc(c1)[C@@H](C)N[13CH3] 34a_100000698126_200025704644 [0,1,0,0,0,0|1,0,1]=3 747 B11R1.23 Cc1cccc(n1)C(C)N[13CH3] 2230a_100011877385_200025704644 [0,1,0,0,0,0|2,0,1]=4 748 B11R1.23 Cc1ccnc(c1)C(C)N[13CH3] 2230a_100011933787_200025704644 [0,1,0,0,0,0|2,0,1]=4 749 B11R1.23 N#CC(=O)c1cccc(c1)O 271570a_203496583355_100010169886 [0,1,0,0,0,0|2,0,0]=3 750 B11R1.23 NCC(=O)c1cccc(c1)O 271570a_203496583355_100020587001 [0,1,0,0,0,0|2,0,0]=3 751 B11R1.23 NNC(=O)c1cc(ccn1)O 271570a_203496583355_100000017052 [0,1,0,0,0,0|2,0,0]=3 752 B11R1.23 NNC(=O)c1cccc(c1)O 271570a_203496583355_100000189783 [0,1,0,0,0,0|1,0,0]=2 753 B11R1.23 NNC(=O)c1cccc(n1)O 271570a_203496583355_100011631096 [0,1,0,0,0,0|2,0,0]=3 754 B11R1.23 NNC(=O)c1ccnc(c1)O 271570a_203496583355_100000021280 [0,1,0,0,0,0|2,0,0]=3 755 B11R1.23 NNC(=O)c1cncc(c1)O 271570a_203496583355_100000189809 [0,1,0,0,0,0|2,0,0]=3 756 B11R1.23 O=C(CF)c1cccc(c1)Br 1458a_100000210664_100015361967 [0,1,0,0,0,0|2,0,0]=3 757 B11R1.23 O=C(CF)c1cccc(c1)Cl 1458a_100000210390_100015361967 [0,1,0,0,0,0|2,0,0]=3 758 B11R1.23 O=C(CF)c1cccc(c1)F 1458a_100000210950_100015361967 [0,1,0,0,0,0|2,0,0]=3 759 B11R1.23 O=C(CF)c1cccc(c1)I 1458a_100000184098_100015361967 [0,1,0,0,0,0|2,0,0]=3 760 B11R1.23 O=C(CF)c1cccc(c1)O 1458a_100000183914_100015361967 [0,1,0,0,0,0|2,0,0]=3 761 B11R1.23 O=CC(=O)c1cccc(c1)O 271570a_203496583355_100000726164 [0,1,0,0,0,0|2,0,0]=3 762 B11R1.36 C=C(C(=O)C)c1ccccc1 1458a_100000065200_200000210301 [0,1,0,0,0,0|2,0,0]=3 763 B11R1.36 C=C(C(=O)[13CH3])c1ccccc1 1458a_100000065200_200025704644 [0,1,0,0,0,0|2,0,0]=3 764 B11R1.36 CC(=C(C)c1ccccc1)C 271570a_200000049429_100000210277 [0,1,0,0,0,0|2,0,0]=3 765 B11R1.36 CC(=C(C)c1ccccn1)C 271570a_200000049429_100011216584 [0,1,0,0,0,0|3,0,0]=4 766 B11R1.36 CC(=C(C)c1cccnc1)C 271570a_200000049429_100000752921 [0,1,0,0,0,0|3,0,0]=4 767 B11R1.36 CC(=C(C)c1ccncc1)C 271570a_200000049429_100000035832 [0,1,0,0,0,0|3,0,0]=4 768 B11R1.36 CC(=O)C(C)c1ccccc1 1458a_100000070787_100000230085 [0,1,0,0,0,0|2,0,1]=4 769 B11R1.36 CC(=O)C(F)c1ccccc1 1458a_100000698975_200000210301 [0,1,0,0,0,0|2,0,1]=4 770 B11R1.36 CC(=O)N(C)c1ccccc1 11a_100000210012_100015343762 [0,1,0,0,0,0|3,0,0]=4 771 B11R1.36 CC(=O)N(C)c1ccccc1 1626a_100000210012_100015343762 [0,1,0,0,0,0|3,0,0]=4 772 B11R1.36 CC(=O)N(C)c1ccccc1 22a_100000210012_100000070787 [0,1,0,0,0,0|3,0,0]=4 773 B11R1.36 CC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_200000210301 [0,1,0,0,0,0|2,0,1]=4 774 B11R1.36 CC(=O)[C@H](O)c1ccccc1 1458a_100000684486_200000210301 [0,1,0,0,0,0|1,0,2]=4 775 B11R1.36 CC(C)C(=O)c1ccccc1 1458a_100000185807_100000210206 [0,1,0,0,0,0|1,0,0]=2 776 B11R1.36 CC(C)N(C)c1ccccc1 2230a_100000210012_100000210206 [0,1,0,0,0,0|3,0,0]=4 777 B11R1.36 CC(C)N(C)c1ccccc1 2230a_100000210572_200000210301 [0,1,0,0,0,0|3,0,0]=4 778 B11R1.36 CC(C)N(C)c1ccccc1 269982a_100000210012_100000210206 [0,1,0,0,0,0|3,0,0]=4 779 B11R1.36 CC(C)N(C)c1ccccc1 269982a_100000210572_200000210301 [0,1,0,0,0,0|3,0,0]=4 780 B11R1.36 CC(C)N(C)c1ccccc1 34a_100000210012_100000210206 [0,1,0,0,0,0|3,0,0]=4 781 B11R1.36 CC(C)N(C)c1ccccc1 34a_100000210572_200000210301 [0,1,0,0,0,0|3,0,0]=4 782 B11R1.36 CC(C)N(C)c1ccccc1 7a_100000210572_200000210301 [0,1,0,0,0,0|3,0,0]=4 783 B11R1.36 CC(C)N([13CH3])c1ccccc1 2230a_100000210572_200025704644 [0,1,0,0,0,0|3,0,0]=4 784 B11R1.36 CC(C)N([13CH3])c1ccccc1 269982a_100000210572_200025704644 [0,1,0,0,0,0|3,0,0]=4 785 B11R1.36 CC(C)N([13CH3])c1ccccc1 34a_100000210572_200025704644 [0,1,0,0,0,0|3,0,0]=4 786 B11R1.36 CC(C)N([13CH3])c1ccccc1 7a_100000210572_200025704644 [0,1,0,0,0,0|3,0,0]=4 787 B11R1.36 CC(c1ccccc1)N(C)C 2230a_100000195388_200000210301 [0,1,0,0,0,0|1,0,1]=3 788 B11R1.36 CC(c1ccccc1)N(C)C 2230a_100102631434_100000230085 [0,1,0,0,0,0|1,0,1]=3 789 B11R1.36 CC(c1ccccc1)N(C)C 269982a_100000195388_200000210301 [0,1,0,0,0,0|1,0,1]=3 790 B11R1.36 CC(c1ccccc1)N(C)C 269982a_100102631434_100000230085 [0,1,0,0,0,0|1,0,1]=3 791 B11R1.36 CC(c1ccccc1)N(C)[13CH3] 2230a_100000195388_200025704644 [0,1,0,0,0,0|1,0,1]=3 792 B11R1.36 CC(c1ccccc1)N(C)[13CH3] 269982a_100000195388_200025704644 [0,1,0,0,0,0|1,0,1]=3 793 B11R1.36 CC(c1ccccn1)N(C)C 2230a_100000231138_200000210301 [0,1,0,0,0,0|2,0,1]=4 794 B11R1.36 CC(c1ccccn1)N(C)C 269982a_100000231138_200000210301 [0,1,0,0,0,0|2,0,1]=4 795 B11R1.36 CC(c1ccccn1)N(C)[13CH3] 2230a_100000231138_200025704644 [0,1,0,0,0,0|2,0,1]=4 796 B11R1.36 CC(c1ccccn1)N(C)[13CH3] 269982a_100000231138_200025704644 [0,1,0,0,0,0|2,0,1]=4 797 B11R1.36 CC(c1cccnc1)N(C)C 2230a_100000232774_200000210301 [0,1,0,0,0,0|2,0,1]=4 798 B11R1.36 CC(c1cccnc1)N(C)C 269982a_100000232774_200000210301 [0,1,0,0,0,0|2,0,1]=4 799 B11R1.36 CC(c1cccnc1)N(C)[13CH3] 2230a_100000232774_200025704644 [0,1,0,0,0,0|2,0,1]=4 800 B11R1.36 CC(c1cccnc1)N(C)[13CH3] 269982a_100000232774_200025704644 [0,1,0,0,0,0|2,0,1]=4 801 B11R1.36 CC(c1ccncc1)N(C)C 2230a_100000231139_200000210301 [0,1,0,0,0,0|2,0,1]=4 802 B11R1.36 CC(c1ccncc1)N(C)C 269982a_100000231139_200000210301 [0,1,0,0,0,0|2,0,1]=4 803 B11R1.36 CC(c1ccncc1)N(C)[13CH3] 2230a_100000231139_200025704644 [0,1,0,0,0,0|2,0,1]=4 804 B11R1.36 CC(c1ccncc1)N(C)[13CH3] 269982a_100000231139_200025704644 [0,1,0,0,0,0|2,0,1]=4 805 B11R1.36 CN(C)C(=O)c1ccccc1 11a_100102631434_100000185807 [0,1,0,0,0,0|0,0,0]=1 806 B11R1.36 CN(C)C(=O)c1ccccc1 1626a_100102631434_100000185807 [0,1,0,0,0,0|0,0,0]=1 807 B11R1.36 CN(C)C(=O)c1ccccc1 240690a_100102631434_100000185807 [0,1,0,0,0,0|0,0,0]=1 808 B11R1.36 CN(C)C(=O)c1ccccc1 527a_100102631434_100000185807 [0,1,0,0,0,0|0,0,0]=1 809 B11R1.36 C[C@H](C(=O)[13CH3])c1ccccc1 1458a_100000751047_200025704644 [0,1,0,0,0,0|2,0,1]=4 810 B11R1.36 [13CH3]C(=O)C(F)c1ccccc1 1458a_100000698975_200025704644 [0,1,0,0,0,0|2,0,1]=4 811 B11R1.36 [13CH3]C(=O)[C@H](O)c1ccccc1 1458a_100000684486_200025704644 [0,1,0,0,0,0|1,0,2]=4 812 B11R1.222 CC(N[13CH3])c1ccccc1Br 2230a_100000181357_200025704644 [0,1,0,0,0,0|1,0,1]=3 813 B11R1.222 CC(N[13CH3])c1ccccc1Cl 2230a_100000174978_200025704644 [0,1,0,0,0,0|1,0,1]=3 814 B11R1.222 CC(N[13CH3])c1ccccc1Cl 34a_100000174978_200025704644 [0,1,0,0,0,0|1,0,1]=3 815 B11R1.222 CC(N[13CH3])c1ccccc1F 2230a_100000181408_200025704644 [0,1,0,0,0,0|1,0,1]=3 816 B11R1.222 CC(N[13CH3])c1ccccc1F 34a_100000181408_200025704644 [0,1,0,0,0,0|1,0,1]=3 817 B11R1.222 CC(N[13CH3])c1cccnc1O 2230a_100159269580_200025704644 [0,1,0,0,0,0|2,0,1]=4 818 B11R1.222 CC(N[13CH3])c1ncccc1Br 2230a_100159271932_200025704644 [0,1,0,0,0,0|2,0,1]=4 819 B11R1.222 CC(O[13CH3])c1ccccc1Br 34a_100000702211_200025704644 [0,1,0,0,0,0|2,0,1]=4 820 B11R1.222 CC(O[13CH3])c1ccccc1Br 7a_100000702211_200025704644 [0,1,0,0,0,0|2,0,1]=4 821 B11R1.222 CC(O[13CH3])c1ccccc1Cl 34a_100000740796_200025704644 [0,1,0,0,0,0|2,0,1]=4 822 B11R1.222 CC(O[13CH3])c1ccccc1Cl 7a_100000740796_200025704644 [0,1,0,0,0,0|2,0,1]=4 823 B11R1.222 CC(O[13CH3])c1ccccc1F 34a_100000697922_200025704644 [0,1,0,0,0,0|2,0,1]=4 824 B11R1.222 CC(O[13CH3])c1ccccc1F 7a_100000697922_200025704644 [0,1,0,0,0,0|2,0,1]=4 825 B11R1.222 CC(O[13CH3])c1ccccc1N 7a_100011405641_200025704644 [0,1,0,0,0,0|2,0,1]=4 826 B11R1.222 CC(S[13CH3])c1ccccc1Cl 62a_100000181259_200025704644 [0,1,0,0,0,0|2,0,1]=4 827 B11R1.222 CC(S[13CH3])c1ccccc1Cl 62a_200025704644_100000181259 [0,1,0,0,0,0|2,0,1]=4 828 B11R1.222 CC(S[13CH3])c1ccccc1F 62a_200000741388_200025704644 [0,1,0,0,0,0|2,0,1]=4 829 B11R1.222 CC(S[13CH3])c1ccccc1F 62a_200025704644_200000741388 [0,1,0,0,0,0|2,0,1]=4 830 B11R1.222 CCC(=O)c1ccccc1Br 1458a_100000188424_100000210202 [0,1,0,0,0,0|1,0,0]=2 831 B11R1.222 CCC(=O)c1ccccc1C 1458a_100000212026_100000210202 [0,1,0,0,0,0|1,0,0]=2 832 B11R1.222 CCC(=O)c1ccccc1Cl 1458a_100000185844_100000210202 [0,1,0,0,0,0|1,0,0]=2 833 B11R1.222 CCC(=O)c1ccccc1F 1458a_100000188656_100000210202 [0,1,0,0,0,0|1,0,0]=2 834 B11R1.222 CCC(=O)c1ccccc1I 1458a_100000187884_100000210202 [0,1,0,0,0,0|1,0,0]=2 835 B11R1.222 CCC(=O)c1ccccc1O 1458a_100015234032_100000210202 [0,1,0,0,0,0|1,0,0]=2 836 B11R1.222 CCC(=O)c1ccccc1[O-] 1458a_100009911694_100000210202 [0,1,0,0,0,0|1,0,0]=2 837 B11R1.222 CCN(C)c1ccccc1Br 2230a_100020606079_100000210202 [0,1,0,0,0,0|3,0,0]=4 838 B11R1.222 CCN(C)c1ccccc1Br 2230a_114873767003_200000210301 [0,1,0,0,0,0|3,0,0]=4 839 B11R1.222 CCN(C)c1ccccc1Br 269982a_100020606079_100000204670 [0,1,0,0,0,0|3,0,0]=4 840 B11R1.222 CCN(C)c1ccccc1Br 269982a_114873767003_200000210301 [0,1,0,0,0,0|3,0,0]=4 841 B11R1.222 CCN(C)c1ccccc1Br 34a_100020606079_100000210202 [0,1,0,0,0,0|3,0,0]=4 842 B11R1.222 CCN(C)c1ccccc1Br 34a_114873767003_200000210301 [0,1,0,0,0,0|3,0,0]=4 843 B11R1.222 CCN(C)c1ccccc1C 2230a_100000211084_200000210301 [0,1,0,0,0,0|3,0,0]=4 844 B11R1.222 CCN(C)c1ccccc1C 2230a_100000219699_100000210202 [0,1,0,0,0,0|3,0,0]=4 845 B11R1.222 CCN(C)c1ccccc1C 269982a_100000211084_200000210301 [0,1,0,0,0,0|3,0,0]=4 846 B11R1.222 CCN(C)c1ccccc1C 269982a_100000219699_100000204670 [0,1,0,0,0,0|3,0,0]=4 847 B11R1.222 CCN(C)c1ccccc1C 34a_100000211084_200000210301 [0,1,0,0,0,0|3,0,0]=4 848 B11R1.222 CCN(C)c1ccccc1C 34a_100000219699_100000210202 [0,1,0,0,0,0|3,0,0]=4 849 B11R1.222 CCN(C)c1ccccc1Cl 2230a_100000219374_100000210202 [0,1,0,0,0,0|3,0,0]=4 850 B11R1.222 CCN(C)c1ccccc1Cl 269982a_100000219374_100000204670 [0,1,0,0,0,0|3,0,0]=4 851 B11R1.222 CCN(C)c1ccccc1Cl 34a_100000219374_100000210202 [0,1,0,0,0,0|3,0,0]=4 852 B11R1.222 CCN(C)c1ccccc1F 2230a_100000220357_100000210202 [0,1,0,0,0,0|3,0,0]=4 853 B11R1.222 CCN(C)c1ccccc1F 2230a_100000220365_200000210301 [0,1,0,0,0,0|3,0,0]=4 854 B11R1.222 CCN(C)c1ccccc1F 269982a_100000220357_100000204670 [0,1,0,0,0,0|3,0,0]=4 855 B11R1.222 CCN(C)c1ccccc1F 269982a_100000220365_200000210301 [0,1,0,0,0,0|3,0,0]=4 856 B11R1.222 CCN(C)c1ccccc1F 34a_100000220357_100000210202 [0,1,0,0,0,0|3,0,0]=4 857 B11R1.222 CCN(C)c1ccccc1F 34a_100000220365_200000210301 [0,1,0,0,0,0|3,0,0]=4 858 B11R1.222 CCN(C)c1ccccc1F 38a_100000220357_100000204670 [0,1,0,0,0,0|3,0,0]=4 859 B11R1.222 CCN(C)c1ccccc1O 269982a_100000033821_100000204670 [0,1,0,0,0,0|3,0,0]=4 860 B11R1.222 CCN(C)c1ccccc1O 269982a_103624766699_200000210301 [0,1,0,0,0,0|3,0,0]=4 861 B11R1.222 CCN([13CH3])c1ccccc1Br 2230a_114873767003_200025704644 [0,1,0,0,0,0|3,0,0]=4 862 B11R1.222 CCN([13CH3])c1ccccc1Br 269982a_114873767003_200025704644 [0,1,0,0,0,0|3,0,0]=4 863 B11R1.222 CCN([13CH3])c1ccccc1Br 34a_114873767003_200025704644 [0,1,0,0,0,0|3,0,0]=4 864 B11R1.222 CCN([13CH3])c1ccccc1C 2230a_100000211084_200025704644 [0,1,0,0,0,0|3,0,0]=4 865 B11R1.222 CCN([13CH3])c1ccccc1C 269982a_100000211084_200025704644 [0,1,0,0,0,0|3,0,0]=4 866 B11R1.222 CCN([13CH3])c1ccccc1C 34a_100000211084_200025704644 [0,1,0,0,0,0|3,0,0]=4 867 B11R1.222 CCN([13CH3])c1ccccc1F 2230a_100000220365_200025704644 [0,1,0,0,0,0|3,0,0]=4 868 B11R1.222 CCN([13CH3])c1ccccc1F 269982a_100000220365_200025704644 [0,1,0,0,0,0|3,0,0]=4 869 B11R1.222 CCN([13CH3])c1ccccc1F 34a_100000220365_200025704644 [0,1,0,0,0,0|3,0,0]=4 870 B11R1.222 CCN([13CH3])c1ccccc1O 269982a_103624766699_200025704644 [0,1,0,0,0,0|3,0,0]=4 871 B11R1.222 CNC(=O)c1ccccc1Br 11a_106832991635_100000188424 [0,1,0,0,0,0|0,0,0]=1 872 B11R1.222 CNC(=O)c1ccccc1Br 1626a_100102657272_100000188424 [0,1,0,0,0,0|0,0,0]=1 873 B11R1.222 CNC(=O)c1ccccc1Br 240690a_100102657272_100000188424 [0,1,0,0,0,0|0,0,0]=1 874 B11R1.222 CNC(=O)c1ccccc1Br 527a_100102657272_100000188424 [0,1,0,0,0,0|0,0,0]=1 875 B11R1.222 CNC(=O)c1ccccc1C 11a_106832991635_100000212026 [0,1,0,0,0,0|0,0,0]=1 876 B11R1.222 CNC(=O)c1ccccc1C 1626a_100102657272_100000212026 [0,1,0,0,0,0|0,0,0]=1 877 B11R1.222 CNC(=O)c1ccccc1C 240690a_100102657272_100000212026 [0,1,0,0,0,0|0,0,0]=1 878 B11R1.222 CNC(=O)c1ccccc1C 527a_100102657272_100000212026 [0,1,0,0,0,0|0,0,0]=1 879 B11R1.222 CNC(=O)c1ccccc1Cl 11a_106832991635_100000185844 [0,1,0,0,0,0|0,0,0]=1 880 B11R1.222 CNC(=O)c1ccccc1Cl 1626a_100102657272_100000185844 [0,1,0,0,0,0|0,0,0]=1 881 B11R1.222 CNC(=O)c1ccccc1Cl 240690a_100102657272_100000185844 [0,1,0,0,0,0|0,0,0]=1 882 B11R1.222 CNC(=O)c1ccccc1Cl 527a_100102657272_100000185844 [0,1,0,0,0,0|0,0,0]=1 883 B11R1.222 CNC(=O)c1ccccc1F 11a_106832991635_100000188656 [0,1,0,0,0,0|0,0,0]=1 884 B11R1.222 CNC(=O)c1ccccc1F 1626a_100102657272_100000188656 [0,1,0,0,0,0|0,0,0]=1 885 B11R1.222 CNC(=O)c1ccccc1F 240690a_100102657272_100000188656 [0,1,0,0,0,0|0,0,0]=1 886 B11R1.222 CNC(=O)c1ccccc1F 527a_100102657272_100000188656 [0,1,0,0,0,0|0,0,0]=1 887 B11R1.222 CNC(=O)c1ccccc1I 11a_106832991635_100000187884 [0,1,0,0,0,0|0,0,0]=1 888 B11R1.222 CNC(=O)c1ccccc1I 1626a_100102657272_100000187884 [0,1,0,0,0,0|0,0,0]=1 889 B11R1.222 CNC(=O)c1ccccc1I 240690a_100102657272_100000187884 [0,1,0,0,0,0|0,0,0]=1 890 B11R1.222 CNC(=O)c1ccccc1I 527a_100102657272_100000187884 [0,1,0,0,0,0|0,0,0]=1 891 B11R1.222 CNC(=O)c1ccccc1O 240690a_100102657272_100015234032 [0,1,0,0,0,0|0,0,0]=1 892 B11R1.222 CNC(=O)c1ccccc1O 271570a_203496583355_100000155073 [0,1,0,0,0,0|0,0,0]=1 893 B11R1.222 CNC(=O)c1ccccc1[O-] 1626a_100102657272_100009911694 [0,1,0,0,0,0|0,0,0]=1 894 B11R1.222 CNC(=O)c1ccccc1[O-] 240690a_100102657272_100009911694 [0,1,0,0,0,0|0,0,0]=1 895 B11R1.222 CNC(=O)c1ccccc1[O-] 527a_100102657272_100009911694 [0,1,0,0,0,0|0,0,0]=1 896 B11R1.222 CNC(=O)c1cccnc1O 271570a_203496583355_100000159833 [0,1,0,0,0,0|1,0,0]=2 897 B11R1.222 CNC(C)c1ccccc1Br 2230a_100000181357_200000210301 [0,1,0,0,0,0|1,0,1]=3 898 B11R1.222 CNC(C)c1ccccc1Br 269862a_106832991636_100000187085 [0,1,0,0,0,0|1,0,1]=3 899 B11R1.222 CNC(C)c1ccccc1C 2230a_100000181355_200000210301 [0,1,0,0,0,0|1,0,1]=3 900 B11R1.222 CNC(C)c1ccccc1C 269862a_106832991636_100000211656 [0,1,0,0,0,0|1,0,1]=3 901 B11R1.222 CNC(C)c1ccccc1C 34a_100000181355_200000210301 [0,1,0,0,0,0|1,0,1]=3 902 B11R1.222 CNC(C)c1ccccc1Cl 2230a_100000174978_200000210301 [0,1,0,0,0,0|1,0,1]=3 903 B11R1.222 CNC(C)c1ccccc1Cl 2230a_106832991635_100000181259 [0,1,0,0,0,0|1,0,1]=3 904 B11R1.222 CNC(C)c1ccccc1Cl 269862a_106832991636_100000210134 [0,1,0,0,0,0|1,0,1]=3 905 B11R1.222 CNC(C)c1ccccc1Cl 34a_100000174978_200000210301 [0,1,0,0,0,0|1,0,1]=3 906 B11R1.222 CNC(C)c1ccccc1Cl 7a_106832991635_100000181259 [0,1,0,0,0,0|1,0,1]=3 907 B11R1.222 CNC(C)c1ccccc1F 2230a_100000181408_200000210301 [0,1,0,0,0,0|1,0,1]=3 908 B11R1.222 CNC(C)c1ccccc1F 2230a_106832991635_200000741388 [0,1,0,0,0,0|1,0,1]=3 909 B11R1.222 CNC(C)c1ccccc1F 269862a_106832991636_100000210632 [0,1,0,0,0,0|1,0,1]=3 910 B11R1.222 CNC(C)c1ccccc1F 34a_100000181408_200000210301 [0,1,0,0,0,0|1,0,1]=3 911 B11R1.222 CNC(C)c1ccccc1F 34a_100102657272_200000741388 [0,1,0,0,0,0|1,0,1]=3 912 B11R1.222 CNC(C)c1ccccc1F 7a_106832991635_200000741388 [0,1,0,0,0,0|1,0,1]=3 913 B11R1.222 CNC(C)c1ccccc1I 269862a_106832991636_100000751169 [0,1,0,0,0,0|1,0,1]=3 914 B11R1.222 CNC(C)c1ccccc1O 271570a_203496583355_100000692418 [0,1,0,0,0,0|1,0,1]=3 915 B11R1.222 CNC(C)c1cccnc1C 269862a_106832991636_100011995960 [0,1,0,0,0,0|2,0,1]=4 916 B11R1.222 CNC(C)c1cccnc1O 2230a_100159269580_200000210301 [0,1,0,0,0,0|2,0,1]=4 917 B11R1.222 CNC(C)c1ccncc1Br 269862a_106832991636_100009993184 [0,1,0,0,0,0|2,0,1]=4 918 B11R1.222 CNC(C)c1ccncc1Cl 269862a_106832991636_100012001414 [0,1,0,0,0,0|2,0,1]=4 919 B11R1.222 CNC(C)c1ccncc1F 269862a_106832991636_100000727669 [0,1,0,0,0,0|2,0,1]=4 920 B11R1.222 CNC(C)c1cnccc1C 269862a_106832991636_100000693228 [0,1,0,0,0,0|2,0,1]=4 921 B11R1.222 CNC(C)c1cnccc1Cl 269862a_106832991636_100160469449 [0,1,0,0,0,0|2,0,1]=4 922 B11R1.222 CNC(C)c1ncccc1Br 2230a_100159271932_200000210301 [0,1,0,0,0,0|2,0,1]=4 923 B11R1.222 CNC(C)c1ncccc1Br 269862a_106832991636_100012348690 [0,1,0,0,0,0|2,0,1]=4 924 B11R1.222 CNC(C)c1ncccc1C 2230a_100011536111_200000210301 [0,1,0,0,0,0|2,0,1]=4 925 B11R1.222 CNC(C)c1ncccc1C 269862a_106832991636_100011536074 [0,1,0,0,0,0|2,0,1]=4 926 B11R1.222 CNC(C)c1ncccc1Cl 269862a_106832991636_100015267551 [0,1,0,0,0,0|2,0,1]=4 927 B11R1.222 CNC(C)c1ncccc1F 269862a_106832991636_100011997767 [0,1,0,0,0,0|2,0,1]=4 928 B11R1.222 CNC(C)c1ncccc1I 269862a_106832991636_200015599370 [0,1,0,0,0,0|2,0,1]=4 929 B11R1.222 CN[C@H](C)c1ccccc1O 2230a_100025703389_200000210301 [0,1,0,0,0,0|1,0,1]=3 930 B11R1.222 COC(=O)c1ccccc1O 271570a_203496583355_100000148710 [0,1,0,0,0,0|1,0,0]=2 931 B11R1.222 COC(=O)c1cccnc1O 271570a_203496583355_100000150852 [0,1,0,0,0,0|2,0,0]=3 932 B11R1.222 COC(=O)c1ccncc1O 271570a_203496583355_100010008606 [0,1,0,0,0,0|2,0,0]=3 933 B11R1.222 COC(=O)c1cnccc1O 271570a_203496583355_100020629055 [0,1,0,0,0,0|2,0,0]=3 934 B11R1.222 COC(=O)c1cncnc1O 271570a_203496583355_100000726419 [0,1,0,0,0,0|3,0,0]=4 935 B11R1.222 COC(=O)c1ncccc1O 271570a_203496583355_100011935214 [0,1,0,0,0,0|2,0,0]=3 936 B11R1.222 COC(=O)c1nccnc1O 271570a_203496583355_100000688410 [0,1,0,0,0,0|3,0,0]=4 937 B11R1.222 COC(=O)c1ncncc1O 271570a_203496583355_100012360100 [0,1,0,0,0,0|3,0,0]=4 938 B11R1.222 COC(C)c1ccccc1Br 34a_100000702211_200000210301 [0,1,0,0,0,0|2,0,1]=4 939 B11R1.222 COC(C)c1ccccc1Br 7a_100000702211_200000210301 [0,1,0,0,0,0|2,0,1]=4 940 B11R1.222 COC(C)c1ccccc1C 34a_100000742021_200000210301 [0,1,0,0,0,0|2,0,1]=4 941 B11R1.222 COC(C)c1ccccc1C 7a_100000742021_200000210301 [0,1,0,0,0,0|2,0,1]=4 942 B11R1.222 COC(C)c1ccccc1Cl 34a_100000740796_200000210301 [0,1,0,0,0,0|2,0,1]=4 943 B11R1.222 COC(C)c1ccccc1Cl 7a_100000740796_200000210301 [0,1,0,0,0,0|2,0,1]=4 944 B11R1.222 COC(C)c1ccccc1F 34a_100000697922_200000210301 [0,1,0,0,0,0|2,0,1]=4 945 B11R1.222 COC(C)c1ccccc1F 34a_100138415774_200000741388 [0,1,0,0,0,0|2,0,1]=4 946 B11R1.222 COC(C)c1ccccc1F 7a_100000697922_200000210301 [0,1,0,0,0,0|2,0,1]=4 947 B11R1.222 COC(C)c1ccccc1N 7a_100011405641_200000210301 [0,1,0,0,0,0|2,0,1]=4 948 B11R1.222 CSC(C)c1ccccc1Cl 62a_100000181259_200000210301 [0,1,0,0,0,0|2,0,1]=4 949 B11R1.222 CSC(C)c1ccccc1Cl 62a_200000210301_100000181259 [0,1,0,0,0,0|2,0,1]=4 950 B11R1.222 CSC(C)c1ccccc1F 62a_200000210301_200000741388 [0,1,0,0,0,0|2,0,1]=4 951 B11R1.222 CSC(C)c1ccccc1F 62a_200000741388_200000210301 [0,1,0,0,0,0|2,0,1]=4 952 B11R1.222 C[C@@H](N[13CH3])c1ccccc1O 2230a_100025703389_200025704644 [0,1,0,0,0,0|1,0,1]=3 953 B11R1.222 Cc1ccccc1C(=O)CF 1458a_100000212026_100015361967 [0,1,0,0,0,0|2,0,0]=3 954 B11R1.222 Cc1ccccc1C(C)N[13CH3] 2230a_100000181355_200025704644 [0,1,0,0,0,0|1,0,1]=3 955 B11R1.222 Cc1ccccc1C(C)N[13CH3] 34a_100000181355_200025704644 [0,1,0,0,0,0|1,0,1]=3 956 B11R1.222 Cc1ccccc1C(C)O[13CH3] 34a_100000742021_200025704644 [0,1,0,0,0,0|2,0,1]=4 957 B11R1.222 Cc1ccccc1C(C)O[13CH3] 7a_100000742021_200025704644 [0,1,0,0,0,0|2,0,1]=4 958 B11R1.222 Cc1cccnc1C(C)N[13CH3] 2230a_100011536111_200025704644 [0,1,0,0,0,0|2,0,1]=4 959 B11R1.222 NNC(=O)c1ccccc1O 271570a_203496583355_100000190081 [0,1,0,0,0,0|1,0,0]=2 960 B11R1.222 O=C(CF)c1ccccc1Br 1458a_100000188424_100015361967 [0,1,0,0,0,0|2,0,0]=3 961 B11R1.222 O=C(CF)c1ccccc1Cl 1458a_100000185844_100015361967 [0,1,0,0,0,0|2,0,0]=3 962 B11R1.222 O=C(CF)c1ccccc1F 1458a_100000188656_100015361967 [0,1,0,0,0,0|2,0,0]=3 963 B11R1.222 O=C(CF)c1ccccc1I 1458a_100000187884_100015361967 [0,1,0,0,0,0|2,0,0]=3 964 B11R1.222 O=C(CF)c1ccccc1O 1458a_100015234032_100015361967 [0,1,0,0,0,0|2,0,0]=3 965 B11R1.222 O=C(CF)c1ccccc1[O-] 1458a_100009911694_100015361967 [0,1,0,0,0,0|2,0,0]=3 966 B9R0.8 C/C=C/CC(=O)C(=O)NC 1458a_100011218921_100102629194 [0,0,1,0,0,0|1,0,2]=4 967 B9R0.8 C=CCCC(=O)C(=O)NC 1458a_100011218921_100000754431 [0,0,1,0,0,0|1,0,2]=4 968 B9R0.8 C=CCNC(=O)C(=O)NC 1626a_100020586998_100011218921 [0,0,1,0,0,0|2,0,1]=4 969 B9R0.8 C=CCNC(=O)C(=O)NC 240690a_100020586998_100011218921 [0,0,1,0,0,0|2,0,1]=4 970 B9R0.8 C=CCNC(=O)C(=O)NC 527a_100020586998_100011218921 [0,0,1,0,0,0|2,0,1]=4 971 B9R0.8 CC=CCC(=O)C(=O)NC 1458a_100011218921_100000070051 [0,0,1,0,0,0|1,0,2]=4 972 B11R2.1 Oc1coc2c1cccc2 271570a_203496583355_100009812202 [0,0,0,1,0,0|2,0,1]=4 973 B11R2.1 Oc1csc2c1cccc2 271570a_203496583355_100009813928 [0,0,0,1,0,0|2,0,1]=4 974 B11R2.1 Oc1n[nH]c2c1cccc2 271570a_203496583355_100000050141 [0,0,0,1,0,0|1,0,2]=4 975 B11R2.988 CNC1Cc2c1cccc2 7a_106832991635_100009813401 [0,0,0,1,0,0|1,0,1]=3 976 B11R2.988 CSC1Cc2c1cccc2 62a_100009813401_200000210301 [0,0,0,1,0,0|2,0,1]=4 977 B11R2.988 CSC1Cc2c1cccc2 62a_200000210301_100009813401 [0,0,0,1,0,0|2,0,1]=4 978 B11R2.988 [13CH3]SC1Cc2c1cccc2 62a_100009813401_200025704644 [0,0,0,1,0,0|2,0,1]=4 979 B11R2.988 [13CH3]SC1Cc2c1cccc2 62a_200025704644_100009813401 [0,0,0,1,0,0|2,0,1]=4 980 B9R1.11 CC(N[13CH3])c1cccs1 2230a_100000703493_200025704644 [0,0,0,0,1,0|2,0,1]=4 981 B9R1.11 CC(N[13CH3])c1ccoc1 2230a_100000690049_200025704644 [0,0,0,0,1,0|2,0,1]=4 982 B9R1.11 CC(N[13CH3])c1ccsc1 2230a_100000748604_200025704644 [0,0,0,0,1,0|2,0,1]=4 983 B9R1.11 CNC(=O)C1=CCCC1 11a_106832991635_100000038896 [0,0,0,0,1,0|0,0,3]=4 984 B9R1.11 CNC(=O)C1=CCCC1 1626a_100102657272_100000038896 [0,0,0,0,1,0|0,0,3]=4 985 B9R1.11 CNC(=O)C1=CCCC1 240690a_100102657272_100000038896 [0,0,0,0,1,0|0,0,3]=4 986 B9R1.11 CNC(=O)C1=CCOC1 11a_106832991635_100000139269 [0,0,0,0,1,0|1,0,2]=4 987 B9R1.11 CNC(=O)C1=CCOC1 1626a_100102657272_100000139269 [0,0,0,0,1,0|1,0,2]=4 988 B9R1.11 CNC(=O)C1=CCOC1 240690a_100102657272_100000139269 [0,0,0,0,1,0|1,0,2]=4 989 B9R1.11 CNC(=O)C1=COCC1 1626a_100102657272_100000750620 [0,0,0,0,1,0|1,0,2]=4 990 B9R1.11 CNC(=O)C1=COCC1 240690a_100102657272_100000750620 [0,0,0,0,1,0|1,0,2]=4 991 B9R1.11 CNC(=O)C1CC=CC1 11a_106832991635_100000759439 [0,0,0,0,1,0|0,0,3]=4 992 B9R1.11 CNC(=O)C1CC=CC1 1626a_100102657272_100000759439 [0,0,0,0,1,0|0,0,3]=4 993 B9R1.11 CNC(=O)C1CC=CC1 240690a_100102657272_100000759439 [0,0,0,0,1,0|0,0,3]=4 994 B9R1.11 CNC(=O)C1CC=CC1 527a_100102657272_100000759439 [0,0,0,0,1,0|0,0,3]=4 995 B9R1.11 CNC(=O)N1CC=CC1 2708a_100102657272_100015195280 [0,0,0,0,1,0|1,0,2]=4 996 B9R1.11 CNC(=O)N1CC=CC1 273464a_100102657272_100015195280 [0,0,0,0,1,0|1,0,2]=4 997 B9R1.11 CNC(C)c1cc[nH]c1 269862a_106832991636_100000753940 [0,0,0,0,1,0|2,0,1]=4 998 B9R1.11 CNC(C)c1ccc[nH]1 269862a_106832991636_100000183661 [0,0,0,0,1,0|2,0,1]=4 999 B9R1.11 CNC(C)c1cccs1 2230a_100000703493_200000210301 [0,0,0,0,1,0|2,0,1]=4 1000 B9R1.11 CNC(C)c1cccs1 269862a_106832991636_100000185736 [0,0,0,0,1,0|2,0,1]=4 1001 B9R1.11 CNC(C)c1ccoc1 2230a_100000690049_200000210301 [0,0,0,0,1,0|2,0,1]=4 1002 B9R1.11 CNC(C)c1ccsc1 2230a_100000748604_200000210301 [0,0,0,0,1,0|2,0,1]=4 1003 B9R1.11 CNC(C)c1ccsc1 269862a_106832991636_100000747891 [0,0,0,0,1,0|2,0,1]=4 1004 B9R1.11 CN[C@H](C)c1ccco1 2230a_100160469435_200000210301 [0,0,0,0,1,0|2,0,1]=4 1005 B9R1.11 C[C@@H](N[13CH3])c1ccco1 2230a_100160469435_200025704644 [0,0,0,0,1,0|2,0,1]=4 1006 B11R1.40 C#CC(=O)Cc1ccccc1 1458a_100000211873_100015291786 [0,0,0,0,0,1|1,0,1]=3 1007 B11R1.40 C#CC(=O)Cc1ccccn1 1458a_100000211873_100000721315 [0,0,0,0,0,1|2,0,1]=4 1008 B11R1.40 C#CC(=O)Cc1cccnc1 1458a_100000211873_100000733263 [0,0,0,0,0,1|2,0,1]=4 1009 B11R1.40 C#CC(=O)Cc1ccncc1 1458a_100000211873_100000705612 [0,0,0,0,0,1|2,0,1]=4 1010 B11R1.40 C=CC(=O)Cc1ccccc1 1458a_100000185746_100015291786 [0,0,0,0,0,1|1,0,1]=3 1011 B11R1.40 C=CC(=O)Cc1ccccn1 1458a_100000185746_100000721315 [0,0,0,0,0,1|2,0,1]=4 1012 B11R1.40 C=CC(=O)Cc1cccnc1 1458a_100000185746_100000733263 [0,0,0,0,0,1|2,0,1]=4 1013 B11R1.40 C=CC(=O)Cc1ccncc1 1458a_100000185746_100000705612 [0,0,0,0,0,1|2,0,1]=4 1014 B11R1.40 C=CC(=O)Nc1ccccc1 1626a_100000106764_100000185746 [0,0,0,0,0,1|1,0,1]=3 1015 B11R1.40 C=CC(=O)Nc1ccccc1 22a_100000106764_100000185746 [0,0,0,0,0,1|1,0,1]=3 1016 B11R1.40 CC(Cc1ccccc1)O[13CH3] 34a_100000748627_200025704644 [0,0,0,0,0,1|2,0,1]=4 1017 B11R1.40 CC(Cc1ccccc1)O[13CH3] 7a_100000748627_200025704644 [0,0,0,0,0,1|2,0,1]=4 1018 B11R1.40 CC(Cc1ccccc1)S[13CH3] 62a_200011218536_200025704644 [0,0,0,0,0,1|2,0,1]=4 1019 B11R1.40 CC(Cc1ccccc1)S[13CH3] 62a_200025704644_200011218536 [0,0,0,0,0,1|2,0,1]=4 1020 B11R1.40 CC(Cc1ccccn1)N[13CH3] 2230a_100000238496_200025704644 [0,0,0,0,0,1|2,0,1]=4 1021 B11R1.40 CC(Cc1cccnc1)N[13CH3] 2230a_100011207255_200025704644 [0,0,0,0,0,1|2,0,1]=4 1022 B11R1.40 CCC(=O)C[n+]1ccccc1 1458a_200000086051_100000210202 [0,0,0,0,0,1|2,0,0]=3 1023 B11R1.40 CCC(=O)Cc1ccccc1 1458a_100000210414_100015291786 [0,0,0,0,0,1|1,0,0]=2 1024 B11R1.40 CCC(=O)Cc1ccccn1 1458a_100000210414_100000721315 [0,0,0,0,0,1|2,0,0]=3 1025 B11R1.40 CCC(=O)Cc1ccccn1 1458a_100000233486_100000210202 [0,0,0,0,0,1|2,0,0]=3 1026 B11R1.40 CCC(=O)Cc1cccnc1 1458a_100000210414_100000733263 [0,0,0,0,0,1|2,0,0]=3 1027 B11R1.40 CCC(=O)Cc1cccnc1 1458a_100000737805_100000210202 [0,0,0,0,0,1|2,0,0]=3 1028 B11R1.40 CCC(=O)Cc1cccnn1 1458a_100000210414_100016990269 [0,0,0,0,0,1|3,0,0]=4 1029 B11R1.40 CCC(=O)Cc1ccncc1 1458a_100000210414_100000705612 [0,0,0,0,0,1|2,0,0]=3 1030 B11R1.40 CCC(=O)Cc1cnccn1 1458a_100000210414_100016995436 [0,0,0,0,0,1|3,0,0]=4 1031 B11R1.40 CCC(=O)Cc1cncnc1 1458a_100000210414_100015196519 [0,0,0,0,0,1|3,0,0]=4 1032 B11R1.40 CCC(=O)Cc1cncnc1 1458a_100000721575_100000210202 [0,0,0,0,0,1|3,0,0]=4 1033 B11R1.40 CCC(=O)Cc1ncccn1 1458a_100000210414_100000703007 [0,0,0,0,0,1|3,0,0]=4 1034 B11R1.40 CCC(=O)Nc1ccccc1 11a_100000106764_100000210414 [0,0,0,0,0,1|1,0,0]=2 1035 B11R1.40 CCC(=O)Nc1ccccc1 1626a_100000106764_100000210414 [0,0,0,0,0,1|1,0,0]=2 1036 B11R1.40 CCC(=O)Nc1ccccc1 22a_100000106764_100000210414 [0,0,0,0,0,1|1,0,0]=2 1037 B11R1.40 CCC(=O)Nc1ccccc1 527a_100000106764_100000210414 [0,0,0,0,0,1|1,0,0]=2 1038 B11R1.40 CCC(C)Nc1ccccc1 34a_100000106764_100011215416 [0,0,0,0,0,1|2,0,1]=4 1039 B11R1.40 CCC(C)Oc1ccccc1 34a_100000210340_100011215416 [0,0,0,0,0,1|2,0,1]=4 1040 B11R1.40 CCC(C)Oc1ccccc1 7a_100000210340_100000758301 [0,0,0,0,0,1|2,0,1]=4 1041 B11R1.40 CCC(C)Sc1ccccc1 62a_100000719477_100000758301 [0,0,0,0,0,1|2,0,1]=4 1042 B11R1.40 CCC(C)Sc1ccccc1 62a_100000758301_100000041952 [0,0,0,0,0,1|2,0,1]=4 1043 B11R1.40 CCN(C)Cc1ccccc1 2230a_100000186898_100000210202 [0,0,0,0,0,1|3,0,0]=4 1044 B11R1.40 CCN(C)Cc1ccccc1 2230a_100000186914_200000210301 [0,0,0,0,0,1|3,0,0]=4 1045 B11R1.40 CCN(C)Cc1ccccc1 2230a_100000225621_100015291786 [0,0,0,0,0,1|3,0,0]=4 1046 B11R1.40 CCN(C)Cc1ccccc1 269982a_100000186898_100000204670 [0,0,0,0,0,1|3,0,0]=4 1047 B11R1.40 CCN(C)Cc1ccccc1 269982a_100000186914_200000210301 [0,0,0,0,0,1|3,0,0]=4 1048 B11R1.40 CCN(C)Cc1ccccc1 269982a_100000225621_100000211182 [0,0,0,0,0,1|3,0,0]=4 1049 B11R1.40 CCN([13CH3])Cc1ccccc1 2230a_100000186914_200025704644 [0,0,0,0,0,1|3,0,0]=4 1050 B11R1.40 CCN([13CH3])Cc1ccccc1 269982a_100000186914_200025704644 [0,0,0,0,0,1|3,0,0]=4 1051 B11R1.40 CNC(=O)C[n+]1ccccc1 11a_106832991635_200000086051 [0,0,0,0,0,1|1,0,0]=2 1052 B11R1.40 CNC(=O)C[n+]1ccccc1 240690a_100102657272_200000086051 [0,0,0,0,0,1|1,0,0]=2 1053 B11R1.40 CNC(=O)C[n+]1ccccc1 527a_100102657272_200000086051 [0,0,0,0,0,1|1,0,0]=2 1054 B11R1.40 CNC(=O)Cc1ccccn1 11a_106832991635_100000233486 [0,0,0,0,0,1|1,0,0]=2 1055 B11R1.40 CNC(=O)Cc1cccnc1 11a_106832991635_100000737805 [0,0,0,0,0,1|1,0,0]=2 1056 B11R1.40 CNC(=O)Cc1cccnc1 240690a_100102657272_100000737805 [0,0,0,0,0,1|1,0,0]=2 1057 B11R1.40 CNC(=O)Cc1cccnc1 527a_100102657272_100000737805 [0,0,0,0,0,1|1,0,0]=2 1058 B11R1.40 CNC(=O)Cc1ccncc1 11a_106832991635_100011201483 [0,0,0,0,0,1|1,0,0]=2 1059 B11R1.40 CNC(=O)Cc1ccncc1 240690a_100102657272_100011201483 [0,0,0,0,0,1|1,0,0]=2 1060 B11R1.40 CNC(=O)Cc1cnccn1 11a_106832991635_100000726051 [0,0,0,0,0,1|2,0,0]=3 1061 B11R1.40 CNC(=O)Cc1cnccn1 240690a_100102657272_100000726051 [0,0,0,0,0,1|2,0,0]=3 1062 B11R1.40 CNC(=O)Cc1cnccn1 527a_100102657272_100000726051 [0,0,0,0,0,1|2,0,0]=3 1063 B11R1.40 CNC(=O)Cc1cncnc1 11a_106832991635_100000721575 [0,0,0,0,0,1|2,0,0]=3 1064 B11R1.40 CNC(=O)Cc1cncnc1 240690a_100102657272_100000721575 [0,0,0,0,0,1|2,0,0]=3 1065 B11R1.40 CNC(=O)Cc1cncnc1 527a_100102657272_100000721575 [0,0,0,0,0,1|2,0,0]=3 1066 B11R1.40 CNC(=O)Nc1ccccc1 2430a_100000106764_100102657272 [0,0,0,0,0,1|0,0,0]=1 1067 B11R1.40 CNC(C)C[n+]1ccccc1 270004a_106832991635_100000034229 [0,0,0,0,0,1|2,0,1]=4 1068 B11R1.40 CNC(C)Cc1ccccc1 34a_100102657272_200011218536 [0,0,0,0,0,1|1,0,1]=3 1069 B11R1.40 CNC(C)Cc1ccccc1 7a_106832991635_200011218536 [0,0,0,0,0,1|1,0,1]=3 1070 B11R1.40 CNC(C)Cc1ccccn1 2230a_100000238496_200000210301 [0,0,0,0,0,1|2,0,1]=4 1071 B11R1.40 CNC(C)Cc1cccnc1 2230a_100011207255_200000210301 [0,0,0,0,0,1|2,0,1]=4 1072 B11R1.40 CNC(C)Cc1cccnc1 270004a_106832991635_100015187140 [0,0,0,0,0,1|2,0,1]=4 1073 B11R1.40 CNC(C)Cc1ccncc1 270004a_106832991635_100000238508 [0,0,0,0,0,1|2,0,1]=4 1074 B11R1.40 COC(C)Cc1ccccc1 34a_100000748627_200000210301 [0,0,0,0,0,1|2,0,1]=4 1075 B11R1.40 COC(C)Cc1ccccc1 34a_100138415774_200011218536 [0,0,0,0,0,1|2,0,1]=4 1076 B11R1.40 COC(C)Cc1ccccc1 7a_100000748627_200000210301 [0,0,0,0,0,1|2,0,1]=4 1077 B11R1.40 COC(C)Sc1ccccc1 62a_100000719477_100009879195 [0,0,0,0,0,1|2,0,1]=4 1078 B11R1.40 COC(C)Sc1ccccc1 62a_100009879195_100000041952 [0,0,0,0,0,1|2,0,1]=4 1079 B11R1.40 CSC(C)Cc1ccccc1 62a_200000210301_200011218536 [0,0,0,0,0,1|2,0,1]=4 1080 B11R1.40 CSC(C)Cc1ccccc1 62a_200011218536_200000210301 [0,0,0,0,0,1|2,0,1]=4 1081 B11R1.40 O=C(CF)C[n+]1ccccc1 1458a_200000086051_100015361967 [0,0,0,0,0,1|3,0,0]=4 1082 B11R1.40 O=C(CF)Cc1ccccn1 1458a_100000233486_100015361967 [0,0,0,0,0,1|3,0,0]=4 1083 B11R1.40 O=C(CF)Cc1cccnc1 1458a_100000737805_100015361967 [0,0,0,0,0,1|3,0,0]=4 1084 B11R1.40 O=C(CO)Cc1ccccc1 1458a_100000210174_100015291786 [0,0,0,0,0,1|2,0,0]=3 1085 B11R1.40 O=C(CO)Cc1ccccn1 1458a_100000210174_100000721315 [0,0,0,0,0,1|3,0,0]=4 1086 B11R1.40 O=C(CO)Cc1cccnc1 1458a_100000210174_100000733263 [0,0,0,0,0,1|3,0,0]=4 1087 B11R1.40 O=C(CO)Cc1ccncc1 1458a_100000210174_100000705612 [0,0,0,0,0,1|3,0,0]=4 1088 B11R1.40 O=C(CO)Nc1ccccc1 22a_100000106764_100000210174 [0,0,0,0,0,1|2,0,0]=3 1089 B11R1.40 O=C(CO)Nc1ccccc1 527a_100000106764_100000210174 [0,0,0,0,0,1|2,0,0]=3 1090 B8R0.1 C=CC=CC(=O)NNC 22a_100016993582_100016291481 [1,0,1,0,0,0|2,0,0]=4 1091 B8R0.3 C=CCC(=O)C(=O)NC 1458a_100011218921_100000210623 [1,0,1,0,0,0|1,0,1]=4 1092 B8R0.6 C/C=C/C=CC(=O)CC 1458a_100000185730_100000210202 [1,0,1,0,0,0|1,0,1]=4 1093 B8R0.6 C/C=C/C=CC(=O)NC 11a_106832991635_100000185730 [1,0,1,0,0,0|0,0,1]=3 1094 B8R0.6 C/C=C/C=CC(=O)NC 1626a_100102657272_100000185730 [1,0,1,0,0,0|0,0,1]=3 1095 B8R0.6 C/C=C/C=CC(=O)NC 240690a_100102657272_100000185730 [1,0,1,0,0,0|0,0,1]=3 1096 B8R1.2 C=Cc1ccccc1 271570a_100011290941_100000210277 [2,0,0,0,0,0|0,0,1]=3 1097 B8R1.2 C=Cc1ccccn1 271570a_100011290941_100011216584 [2,0,0,0,0,0|1,0,1]=4 1098 B8R1.2 C=Cc1cccnc1 271570a_100011290941_100000752921 [2,0,0,0,0,0|1,0,1]=4 1099 B8R1.2 C=Cc1ccncc1 271570a_100011290941_100000035832 [2,0,0,0,0,0|1,0,1]=4 1100 B8R1.2 CNc1ccccc1 34a_100000106764_200000210301 [2,0,0,0,0,0|0,0,0]=2 1101 B8R1.2 CNc1cccnn1 27a_100102657272_100016991348 [2,0,0,0,0,0|2,0,0]=4 1102 B8R1.2 CNc1ccncn1 27a_100102657272_100000703185 [2,0,0,0,0,0|2,0,0]=4 1103 B8R1.2 CNc1cnccn1 27a_100102657272_100000211759 [2,0,0,0,0,0|2,0,0]=4 1104 B8R1.2 CNc1ncccn1 27a_100102657272_100000211032 [2,0,0,0,0,0|2,0,0]=4 1105 B8R1.2 COc1ccccc1 34a_100000210340_200000210301 [2,0,0,0,0,0|1,0,0]=3 1106 B8R1.2 COc1ccccc1 7a_100000210340_200000210301 [2,0,0,0,0,0|1,0,0]=3 1107 B8R1.2 COc1cccnc1 34a_100000210849_200000210301 [2,0,0,0,0,0|2,0,0]=4 1108 B8R1.2 COc1cccnc1 7a_100000210849_200000210301 [2,0,0,0,0,0|2,0,0]=4 1109 B8R1.2 COc1ccncc1 34a_100000212176_200000210301 [2,0,0,0,0,0|2,0,0]=4 1110 B8R1.2 CSc1ccccc1 62a_100000719477_200000210301 [2,0,0,0,0,0|1,0,0]=3 1111 B8R1.2 CSc1ccccc1 62a_200000210301_100000041952 [2,0,0,0,0,0|1,0,0]=3 1112 B8R1.2 CSc1ccccn1 62a_100011216584_200000210301 [2,0,0,0,0,0|2,0,0]=4 1113 B8R1.2 CSc1ccccn1 62a_200000210301_100011216584 [2,0,0,0,0,0|2,0,0]=4 1114 B8R1.2 CSc1cccnc1 62a_100000210063_200000210301 [2,0,0,0,0,0|2,0,0]=4 1115 B8R1.2 CSc1cccnc1 62a_200000210301_100000210063 [2,0,0,0,0,0|2,0,0]=4 1116 B8R1.2 CSc1ccncc1 62a_100000728582_200000210301 [2,0,0,0,0,0|2,0,0]=4 1117 B8R1.2 CSc1ccncc1 62a_200000210301_100000728582 [2,0,0,0,0,0|2,0,0]=4 1118 B8R1.2 [13CH3]Nc1ccccc1 34a_100000106764_200025704644 [2,0,0,0,0,0|0,0,0]=2 1119 B8R1.2 [13CH3]Oc1ccccc1 34a_100000210340_200025704644 [2,0,0,0,0,0|1,0,0]=3 1120 B8R1.2 [13CH3]Oc1ccccc1 7a_100000210340_200025704644 [2,0,0,0,0,0|1,0,0]=3 1121 B8R1.2 [13CH3]Oc1cccnc1 34a_100000210849_200025704644 [2,0,0,0,0,0|2,0,0]=4 1122 B8R1.2 [13CH3]Oc1cccnc1 7a_100000210849_200025704644 [2,0,0,0,0,0|2,0,0]=4 1123 B8R1.2 [13CH3]Oc1ccncc1 34a_100000212176_200025704644 [2,0,0,0,0,0|2,0,0]=4 1124 B8R1.2 [13CH3]Sc1ccccc1 62a_100000719477_200025704644 [2,0,0,0,0,0|1,0,0]=3 1125 B8R1.2 [13CH3]Sc1ccccc1 62a_200025704644_100000041952 [2,0,0,0,0,0|1,0,0]=3 1126 B8R1.2 [13CH3]Sc1ccccn1 62a_100011216584_200025704644 [2,0,0,0,0,0|2,0,0]=4 1127 B8R1.2 [13CH3]Sc1ccccn1 62a_200025704644_100011216584 [2,0,0,0,0,0|2,0,0]=4 1128 B8R1.2 [13CH3]Sc1cccnc1 62a_100000210063_200025704644 [2,0,0,0,0,0|2,0,0]=4 1129 B8R1.2 [13CH3]Sc1cccnc1 62a_200025704644_100000210063 [2,0,0,0,0,0|2,0,0]=4 1130 B8R1.2 [13CH3]Sc1ccncc1 62a_100000728582_200025704644 [2,0,0,0,0,0|2,0,0]=4 1131 B8R1.2 [13CH3]Sc1ccncc1 62a_200025704644_100000728582 [2,0,0,0,0,0|2,0,0]=4 1132 B10R0.73 C=CCN(CC=C)C(=O)NC 2708a_100102657272_100000210471 [0,1,1,0,0,0|1,0,1]=4 1133 B10R0.73 C=CCN(CC=C)C(=O)NC 273464a_100102657272_100000210471 [0,1,1,0,0,0|1,0,1]=4 1134 B10R0.18 C=CC=CC(=O)CC(=O)CC 1458a_100016291481_100000747405 [0,1,1,0,0,0|1,0,1]=4 1135 B10R0.18 C=CC=CC(=O)CC(=O)NC 1458a_100016291481_100000183359 [0,1,1,0,0,0|0,0,1]=3 1136 B10R0.18 C=CC=CC(=O)CC(=O)OC 1458a_100016291481_100000747449 [0,1,1,0,0,0|1,0,1]=4 1137 B10R0.74 CCC/C=C/C=CC(=O)NC 11a_106832991635_200016258893 [0,1,1,0,0,0|0,0,2]=4 1138 B10R0.74 CCC/C=C/C=CC(=O)NC 1626a_100102657272_200016258893 [0,1,1,0,0,0|0,0,2]=4 1139 B10R0.74 CCC/C=C/C=CC(=O)NC 240690a_100102657272_200016258893 [0,1,1,0,0,0|0,0,2]=4 1140 B10R0.108 C=CCC(=O)C=CC(=O)NC 1458a_100016259477_100000210623 [0,1,1,0,0,0|0,0,1]=3 1141 B10R1.13 C=C(C)c1cc[n+](cc1)[O-] 271570a_100000694244_100000039755 [1,1,0,0,0,0|2,0,0]=4 1142 B10R1.13 C=C(C)c1ccc(=O)[nH]c1 271570a_100000694244_100000212171 [1,1,0,0,0,0|2,0,0]=4 1143 B10R1.13 C=C(C)c1ccc(cc1)Br 271570a_100000694244_100000752885 [1,1,0,0,0,0|1,0,0]=3 1144 B10R1.13 C=C(C)c1ccc(cc1)C 271570a_100000694244_100000186775 [1,1,0,0,0,0|1,0,0]=3 1145 B10R1.13 C=C(C)c1ccc(cc1)Cl 271570a_100000694244_100000755918 [1,1,0,0,0,0|1,0,0]=3 1146 B10R1.13 C=C(C)c1ccc(cc1)F 271570a_100000694244_100000211213 [1,1,0,0,0,0|1,0,0]=3 1147 B10R1.13 C=C(C)c1ccc(cc1)N 271570a_100000694244_100000185761 [1,1,0,0,0,0|1,0,0]=3 1148 B10R1.13 C=C(C)c1ccc(cc1)O 271570a_100000694244_100000185759 [1,1,0,0,0,0|1,0,0]=3 1149 B10R1.13 C=C(C)c1ccc(cc1)O 271570a_203496583355_100000185454 [1,1,0,0,0,0|1,0,0]=3 1150 B10R1.13 C=C(C)c1ccc(cn1)Br 271570a_100000694244_100000686858 [1,1,0,0,0,0|2,0,0]=4 1151 B10R1.13 C=C(C)c1ccc(cn1)C 271570a_100000694244_100000754016 [1,1,0,0,0,0|2,0,0]=4 1152 B10R1.13 C=C(C)c1ccc(cn1)Cl 271570a_100000694244_100011356976 [1,1,0,0,0,0|2,0,0]=4 1153 B10R1.13 C=C(C)c1ccc(cn1)F 271570a_100000694244_100000744514 [1,1,0,0,0,0|2,0,0]=4 1154 B10R1.13 C=C(C)c1ccc(cn1)N 271570a_100000694244_100000744251 [1,1,0,0,0,0|2,0,0]=4 1155 B10R1.13 C=C(C)c1ccc(cn1)O 271570a_100000694244_100000685995 [1,1,0,0,0,0|2,0,0]=4 1156 B10R1.13 C=C(C)c1ccc(nc1)Br 271570a_100000694244_100009814638 [1,1,0,0,0,0|2,0,0]=4 1157 B10R1.13 C=C(C)c1ccc(nc1)C 271570a_100000694244_100000751577 [1,1,0,0,0,0|2,0,0]=4 1158 B10R1.13 C=C(C)c1ccc(nc1)Cl 271570a_100000694244_100000034144 [1,1,0,0,0,0|2,0,0]=4 1159 B10R1.13 C=C(C)c1ccc(nc1)F 271570a_100000694244_100000748661 [1,1,0,0,0,0|2,0,0]=4 1160 B10R1.13 C=C(C)c1ccc(nc1)N 271570a_100000694244_100000187370 [1,1,0,0,0,0|2,0,0]=4 1161 B10R1.13 CC(=O)c1ccc(cc1)Br 1458a_100000185839_200000210301 [1,1,0,0,0,0|0,0,0]=2 1162 B10R1.13 CC(=O)c1ccc(cc1)C 1458a_100000188618_200000210301 [1,1,0,0,0,0|0,0,0]=2 1163 B10R1.13 CC(=O)c1ccc(cc1)Cl 1458a_100000210187_200000210301 [1,1,0,0,0,0|0,0,0]=2 1164 B10R1.13 CC(=O)c1ccc(cc1)F 1458a_100000187176_200000210301 [1,1,0,0,0,0|0,0,0]=2 1165 B10R1.13 CC(=O)c1ccc(cc1)I 1458a_100000187904_200000210301 [1,1,0,0,0,0|0,0,0]=2 1166 B10R1.13 CC(=O)c1ccc(cc1)O 1458a_100000212099_200000210301 [1,1,0,0,0,0|0,0,0]=2 1167 B10R1.13 CC(=O)c1ccc(cc1)O 271570a_203496583355_100000185465 [1,1,0,0,0,0|0,0,0]=2 1168 B10R1.13 CC(=O)c1ccc(cn1)O 271570a_203496583355_100000686046 [1,1,0,0,0,0|1,0,0]=3 1169 B10R1.13 CC(=O)c1ccc(nc1)O 271570a_203496583355_100000684857 [1,1,0,0,0,0|1,0,0]=3 1170 B10R1.13 CC(=O)c1cnc(cn1)O 271570a_203496583355_100009883172 [1,1,0,0,0,0|2,0,0]=4 1171 B10R1.13 CC(=O)c1cnc(nc1)O 271570a_203496583355_100000099681 [1,1,0,0,0,0|2,0,0]=4 1172 B10R1.13 CC(=O)c1ncc(cn1)O 271570a_203496583355_100010077182 [1,1,0,0,0,0|2,0,0]=4 1173 B10R1.13 CC(C)c1ccc(cc1)O 271570a_203496583355_100000750031 [1,1,0,0,0,0|1,0,1]=4 1174 B10R1.13 CC(O)c1ccc(cc1)O 271570a_203496583355_100000745893 [1,1,0,0,0,0|0,0,2]=4 1175 B10R1.13 CN(C)c1ccc(cc1)Br 2230a_100000219623_200000210301 [1,1,0,0,0,0|2,0,0]=4 1176 B10R1.13 CN(C)c1ccc(cc1)Br 269982a_100000219623_200000210301 [1,1,0,0,0,0|2,0,0]=4 1177 B10R1.13 CN(C)c1ccc(cc1)Br 34a_100000219623_200000210301 [1,1,0,0,0,0|2,0,0]=4 1178 B10R1.13 CN(C)c1ccc(cc1)Cl 2230a_100020629279_200000210301 [1,1,0,0,0,0|2,0,0]=4 1179 B10R1.13 CN(C)c1ccc(cc1)Cl 269982a_100020629279_200000210301 [1,1,0,0,0,0|2,0,0]=4 1180 B10R1.13 CN(C)c1ccc(cc1)Cl 34a_100020629279_200000210301 [1,1,0,0,0,0|2,0,0]=4 1181 B10R1.13 CN(C)c1ccc(cc1)F 2230a_100000219829_200000210301 [1,1,0,0,0,0|2,0,0]=4 1182 B10R1.13 CN(C)c1ccc(cc1)F 269982a_100000219829_200000210301 [1,1,0,0,0,0|2,0,0]=4 1183 B10R1.13 CN(C)c1ccc(cc1)F 34a_100000219829_200000210301 [1,1,0,0,0,0|2,0,0]=4 1184 B10R1.13 CN(C)c1ccc(cc1)I 2230a_100000743151_200000210301 [1,1,0,0,0,0|2,0,0]=4 1185 B10R1.13 CN(C)c1ccc(cc1)I 269982a_100000743151_200000210301 [1,1,0,0,0,0|2,0,0]=4 1186 B10R1.13 CN(C)c1ccc(cc1)I 34a_100000743151_200000210301 [1,1,0,0,0,0|2,0,0]=4 1187 B10R1.13 CN(C)c1ccc(cc1)O 269982a_100000182112_200000210301 [1,1,0,0,0,0|2,0,0]=4 1188 B10R1.13 CN(C)c1ccc(cc1)O 271570a_203496583355_100000210421 [1,1,0,0,0,0|2,0,0]=4 1189 B10R1.13 CN(C)c1ccc(cc1)O 34a_100000182112_200000210301 [1,1,0,0,0,0|2,0,0]=4 1190 B10R1.13 CN([13CH3])c1ccc(cc1)Br 2230a_100000219623_200025704644 [1,1,0,0,0,0|2,0,0]=4 1191 B10R1.13 CN([13CH3])c1ccc(cc1)Br 269982a_100000219623_200025704644 [1,1,0,0,0,0|2,0,0]=4 1192 B10R1.13 CN([13CH3])c1ccc(cc1)Br 34a_100000219623_200025704644 [1,1,0,0,0,0|2,0,0]=4 1193 B10R1.13 CN([13CH3])c1ccc(cc1)Cl 2230a_100020629279_200025704644 [1,1,0,0,0,0|2,0,0]=4 1194 B10R1.13 CN([13CH3])c1ccc(cc1)Cl 269982a_100020629279_200025704644 [1,1,0,0,0,0|2,0,0]=4 1195 B10R1.13 CN([13CH3])c1ccc(cc1)Cl 34a_100020629279_200025704644 [1,1,0,0,0,0|2,0,0]=4 1196 B10R1.13 CN([13CH3])c1ccc(cc1)F 2230a_100000219829_200025704644 [1,1,0,0,0,0|2,0,0]=4 1197 B10R1.13 CN([13CH3])c1ccc(cc1)F 269982a_100000219829_200025704644 [1,1,0,0,0,0|2,0,0]=4 1198 B10R1.13 CN([13CH3])c1ccc(cc1)F 34a_100000219829_200025704644 [1,1,0,0,0,0|2,0,0]=4 1199 B10R1.13 CN([13CH3])c1ccc(cc1)I 2230a_100000743151_200025704644 [1,1,0,0,0,0|2,0,0]=4 1200 B10R1.13 CN([13CH3])c1ccc(cc1)I 269982a_100000743151_200025704644 [1,1,0,0,0,0|2,0,0]=4 1201 B10R1.13 CN([13CH3])c1ccc(cc1)I 34a_100000743151_200025704644 [1,1,0,0,0,0|2,0,0]=4 1202 B10R1.13 CN([13CH3])c1ccc(cc1)O 269982a_100000182112_200025704644 [1,1,0,0,0,0|2,0,0]=4 1203 B10R1.13 CN([13CH3])c1ccc(cc1)O 34a_100000182112_200025704644 [1,1,0,0,0,0|2,0,0]=4 1204 B10R1.13 CS(=O)c1ccc(cc1)O 271570a_203496583355_100009816266 [1,1,0,0,0,0|1,0,0]=3 1205 B10R1.13 C[C@@H](N)c1ccc(cc1)O 271570a_203496583355_100000720352 [1,1,0,0,0,0|1,0,1]=4 1206 B10R1.13 C[C@H](N)c1ccc(cc1)O 271570a_203496583355_100000753911 [1,1,0,0,0,0|1,0,1]=4 1207 B10R1.13 Cc1ccc(cc1)C(=O)[13CH3] 1458a_100000188618_200025704644 [1,1,0,0,0,0|0,0,0]=2 1208 B10R1.13 Cc1ccc(cc1)N(C)C 2230a_100000219977_200000210301 [1,1,0,0,0,0|2,0,0]=4 1209 B10R1.13 Cc1ccc(cc1)N(C)C 269982a_100000219977_200000210301 [1,1,0,0,0,0|2,0,0]=4 1210 B10R1.13 Cc1ccc(cc1)N(C)C 34a_100000219977_200000210301 [1,1,0,0,0,0|2,0,0]=4 1211 B10R1.13 Cc1ccc(cc1)N(C)[13CH3] 2230a_100000219977_200025704644 [1,1,0,0,0,0|2,0,0]=4 1212 B10R1.13 Cc1ccc(cc1)N(C)[13CH3] 269982a_100000219977_200025704644 [1,1,0,0,0,0|2,0,0]=4 1213 B10R1.13 Cc1ccc(cc1)N(C)[13CH3] 34a_100000219977_200025704644 [1,1,0,0,0,0|2,0,0]=4 1214 B10R1.13 NC(=O)c1ccc(cc1)O 271570a_203496583355_100000162191 [1,1,0,0,0,0|0,0,0]=2 1215 B10R1.13 NC(=O)c1ccc(cn1)O 271570a_203496583355_100011219284 [1,1,0,0,0,0|1,0,0]=3 1216 B10R1.13 NC(=O)c1ccc(nc1)O 271570a_203496583355_100000162237 [1,1,0,0,0,0|1,0,0]=3 1217 B10R1.13 NC(=O)c1ccc(nn1)O 271570a_203496583355_100000761398 [1,1,0,0,0,0|2,0,0]=4 1218 B10R1.13 NC(=O)c1cnc(cn1)O 271570a_203496583355_100000738300 [1,1,0,0,0,0|2,0,0]=4 1219 B10R1.13 NC(=O)c1ncc(cn1)O 271570a_203496583355_100009996756 [1,1,0,0,0,0|2,0,0]=4 1220 B10R1.13 [13CH3]C(=O)c1ccc(cc1)Br 1458a_100000185839_200025704644 [1,1,0,0,0,0|0,0,0]=2 1221 B10R1.13 [13CH3]C(=O)c1ccc(cc1)Cl 1458a_100000210187_200025704644 [1,1,0,0,0,0|0,0,0]=2 1222 B10R1.13 [13CH3]C(=O)c1ccc(cc1)F 1458a_100000187176_200025704644 [1,1,0,0,0,0|0,0,0]=2 1223 B10R1.13 [13CH3]C(=O)c1ccc(cc1)I 1458a_100000187904_200025704644 [1,1,0,0,0,0|0,0,0]=2 1224 B10R1.13 [13CH3]C(=O)c1ccc(cc1)O 1458a_100000212099_200025704644 [1,1,0,0,0,0|0,0,0]=2 1225 B10R1.61 C=C(C)c1c[nH]ccc1=O 271570a_100000694244_100009998708 [1,1,0,0,0,0|2,0,0]=4 1226 B10R1.61 C=C(C)c1c[nH]ccc1=S 271570a_100000694244_200012280681 [1,1,0,0,0,0|2,0,0]=4 1227 B10R1.61 C=C(C)c1ccc[nH]c1=O 271570a_100000694244_100000050042 [1,1,0,0,0,0|2,0,0]=4 1228 B10R1.61 C=C(C)c1cccc[n+]1C 271570a_100000694244_100000212160 [1,1,0,0,0,0|2,0,0]=4 1229 B10R1.61 C=C(C)c1cccc[n+]1[O-] 271570a_100000694244_200000042595 [1,1,0,0,0,0|2,0,0]=4 1230 B10R1.61 C=C(C)c1ccccc1Br 271570a_100000694244_100000695589 [1,1,0,0,0,0|1,0,0]=3 1231 B10R1.61 C=C(C)c1ccccc1C 271570a_100000694244_100000210755 [1,1,0,0,0,0|1,0,0]=3 1232 B10R1.61 C=C(C)c1ccccc1Cl 271570a_100000694244_100000764095 [1,1,0,0,0,0|1,0,0]=3 1233 B10R1.61 C=C(C)c1ccccc1F 271570a_100000694244_100011215700 [1,1,0,0,0,0|1,0,0]=3 1234 B10R1.61 C=C(C)c1ccccc1N 271570a_100000694244_100000210017 [1,1,0,0,0,0|1,0,0]=3 1235 B10R1.61 C=C(C)c1ccccc1O 271570a_100000694244_100000739446 [1,1,0,0,0,0|1,0,0]=3 1236 B10R1.61 C=C(C)c1cccnc1Br 271570a_100000694244_100010202626 [1,1,0,0,0,0|2,0,0]=4 1237 B10R1.61 C=C(C)c1cccnc1C 271570a_100000694244_100000751574 [1,1,0,0,0,0|2,0,0]=4 1238 B10R1.61 C=C(C)c1cccnc1Cl 271570a_100000694244_100000036424 [1,1,0,0,0,0|2,0,0]=4 1239 B10R1.61 C=C(C)c1cccnc1F 271570a_100000694244_100009816115 [1,1,0,0,0,0|2,0,0]=4 1240 B10R1.61 C=C(C)c1cccnc1N 271570a_100000694244_100000045569 [1,1,0,0,0,0|2,0,0]=4 1241 B10R1.61 C=C(C)c1ccncc1Br 271570a_100000694244_100000726257 [1,1,0,0,0,0|2,0,0]=4 1242 B10R1.61 C=C(C)c1ccncc1C 271570a_100000694244_100015191297 [1,1,0,0,0,0|2,0,0]=4 1243 B10R1.61 C=C(C)c1ccncc1Cl 271570a_100000694244_100000708259 [1,1,0,0,0,0|2,0,0]=4 1244 B10R1.61 C=C(C)c1ccncc1F 271570a_100000694244_100000047030 [1,1,0,0,0,0|2,0,0]=4 1245 B10R1.61 C=C(C)c1ccncc1N 271570a_100000694244_100009815883 [1,1,0,0,0,0|2,0,0]=4 1246 B10R1.61 C=C(C)c1ccncc1O 271570a_100000694244_100009817591 [1,1,0,0,0,0|2,0,0]=4 1247 B10R1.61 C=C(C)c1cnccc1Br 271570a_100000694244_100010138639 [1,1,0,0,0,0|2,0,0]=4 1248 B10R1.61 C=C(C)c1cnccc1C 271570a_100000694244_100000761580 [1,1,0,0,0,0|2,0,0]=4 1249 B10R1.61 C=C(C)c1cnccc1Cl 271570a_100000694244_100009995489 [1,1,0,0,0,0|2,0,0]=4 1250 B10R1.61 C=C(C)c1cnccc1F 271570a_100000694244_100009820683 [1,1,0,0,0,0|2,0,0]=4 1251 B10R1.61 C=C(C)c1cnccc1N 271570a_100000694244_100000047001 [1,1,0,0,0,0|2,0,0]=4 1252 B10R1.61 C=C(C)c1ncccc1Br 271570a_100000694244_100000696092 [1,1,0,0,0,0|2,0,0]=4 1253 B10R1.61 C=C(C)c1ncccc1C 271570a_100000694244_100000751373 [1,1,0,0,0,0|2,0,0]=4 1254 B10R1.61 C=C(C)c1ncccc1Cl 271570a_100000694244_100011356963 [1,1,0,0,0,0|2,0,0]=4 1255 B10R1.61 C=C(C)c1ncccc1F 271570a_100000694244_100000685392 [1,1,0,0,0,0|2,0,0]=4 1256 B10R1.61 C=C(C)c1ncccc1N 271570a_100000694244_100000688686 [1,1,0,0,0,0|2,0,0]=4 1257 B10R1.61 C=C(C)c1ncccc1O 271570a_100000694244_100000034122 [1,1,0,0,0,0|2,0,0]=4 1258 B10R1.61 CC(=O)c1ccccc1Br 1458a_100000188424_200000210301 [1,1,0,0,0,0|0,0,0]=2 1259 B10R1.61 CC(=O)c1ccccc1C 1458a_100000212026_200000210301 [1,1,0,0,0,0|0,0,0]=2 1260 B10R1.61 CC(=O)c1ccccc1Cl 1458a_100000185844_200000210301 [1,1,0,0,0,0|0,0,0]=2 1261 B10R1.61 CC(=O)c1ccccc1F 1458a_100000188656_200000210301 [1,1,0,0,0,0|0,0,0]=2 1262 B10R1.61 CC(=O)c1ccccc1I 1458a_100000187884_200000210301 [1,1,0,0,0,0|0,0,0]=2 1263 B10R1.61 CC(=O)c1ccccc1O 1458a_100015234032_200000210301 [1,1,0,0,0,0|0,0,0]=2 1264 B10R1.61 CC(=O)c1ccccc1O 271570a_203496583355_100000751169 [1,1,0,0,0,0|0,0,0]=2 1265 B10R1.61 CC(=O)c1ccccc1[O-] 1458a_100009911694_200000210301 [1,1,0,0,0,0|0,0,0]=2 1266 B10R1.61 CC(=O)c1cccnc1O 271570a_203496583355_100000753718 [1,1,0,0,0,0|1,0,0]=3 1267 B10R1.61 CC(=O)c1ccncc1O 271570a_203496583355_100009993184 [1,1,0,0,0,0|1,0,0]=3 1268 B10R1.61 CC(=O)c1cnccc1O 271570a_203496583355_100160469449 [1,1,0,0,0,0|1,0,0]=3 1269 B10R1.61 CC(=O)c1ncccc1O 271570a_203496583355_100012348690 [1,1,0,0,0,0|1,0,0]=3 1270 B10R1.61 CC(=O)c1nccnc1O 271570a_203496583355_100000099859 [1,1,0,0,0,0|2,0,0]=4 1271 B10R1.61 CC(C)c1ccccc1O 271570a_203496583355_100011218076 [1,1,0,0,0,0|1,0,1]=4 1272 B10R1.61 CC(N)c1ccccc1O 271570a_203496583355_100000181357 [1,1,0,0,0,0|1,0,1]=4 1273 B10R1.61 CC(O)c1ccccc1O 271570a_203496583355_100000702211 [1,1,0,0,0,0|0,0,2]=4 1274 B10R1.61 CN(C)c1ccccc1Br 2230a_100020606079_200000210301 [1,1,0,0,0,0|2,0,0]=4 1275 B10R1.61 CN(C)c1ccccc1Br 269982a_100020606079_200000210301 [1,1,0,0,0,0|2,0,0]=4 1276 B10R1.61 CN(C)c1ccccc1Br 34a_100020606079_200000210301 [1,1,0,0,0,0|2,0,0]=4 1277 B10R1.61 CN(C)c1ccccc1Cl 2230a_100000219374_200000210301 [1,1,0,0,0,0|2,0,0]=4 1278 B10R1.61 CN(C)c1ccccc1Cl 269982a_100000219374_200000210301 [1,1,0,0,0,0|2,0,0]=4 1279 B10R1.61 CN(C)c1ccccc1Cl 34a_100000219374_200000210301 [1,1,0,0,0,0|2,0,0]=4 1280 B10R1.61 CN(C)c1ccccc1F 2230a_100000220357_200000210301 [1,1,0,0,0,0|2,0,0]=4 1281 B10R1.61 CN(C)c1ccccc1F 269982a_100000220357_200000210301 [1,1,0,0,0,0|2,0,0]=4 1282 B10R1.61 CN(C)c1ccccc1F 34a_100000220357_200000210301 [1,1,0,0,0,0|2,0,0]=4 1283 B10R1.61 CN(C)c1ccccc1F 38a_100000220357_200000210301 [1,1,0,0,0,0|2,0,0]=4 1284 B10R1.61 CN(C)c1ccccc1O 269982a_100000033821_200000210301 [1,1,0,0,0,0|2,0,0]=4 1285 B10R1.61 CN(C)c1ccccc1O 271570a_203496583355_100011290883 [1,1,0,0,0,0|2,0,0]=4 1286 B10R1.61 CN([13CH3])c1ccccc1Br 2230a_100020606079_200025704644 [1,1,0,0,0,0|2,0,0]=4 1287 B10R1.61 CN([13CH3])c1ccccc1Br 269982a_100020606079_200025704644 [1,1,0,0,0,0|2,0,0]=4 1288 B10R1.61 CN([13CH3])c1ccccc1Br 34a_100020606079_200025704644 [1,1,0,0,0,0|2,0,0]=4 1289 B10R1.61 CN([13CH3])c1ccccc1Cl 2230a_100000219374_200025704644 [1,1,0,0,0,0|2,0,0]=4 1290 B10R1.61 CN([13CH3])c1ccccc1Cl 269982a_100000219374_200025704644 [1,1,0,0,0,0|2,0,0]=4 1291 B10R1.61 CN([13CH3])c1ccccc1Cl 34a_100000219374_200025704644 [1,1,0,0,0,0|2,0,0]=4 1292 B10R1.61 CN([13CH3])c1ccccc1F 2230a_100000220357_200025704644 [1,1,0,0,0,0|2,0,0]=4 1293 B10R1.61 CN([13CH3])c1ccccc1F 269982a_100000220357_200025704644 [1,1,0,0,0,0|2,0,0]=4 1294 B10R1.61 CN([13CH3])c1ccccc1F 34a_100000220357_200025704644 [1,1,0,0,0,0|2,0,0]=4 1295 B10R1.61 CN([13CH3])c1ccccc1F 38a_100000220357_200025704644 [1,1,0,0,0,0|2,0,0]=4 1296 B10R1.61 CN([13CH3])c1ccccc1O 269982a_100000033821_200025704644 [1,1,0,0,0,0|2,0,0]=4 1297 B10R1.61 CS(=O)c1ccccc1O 271570a_203496583355_100000734199 [1,1,0,0,0,0|1,0,0]=3 1298 B10R1.61 Cc1ccccc1C(=O)[13CH3] 1458a_100000212026_200025704644 [1,1,0,0,0,0|0,0,0]=2 1299 B10R1.61 Cc1ccccc1N(C)C 2230a_100000219699_200000210301 [1,1,0,0,0,0|2,0,0]=4 1300 B10R1.61 Cc1ccccc1N(C)C 269982a_100000219699_200000210301 [1,1,0,0,0,0|2,0,0]=4 1301 B10R1.61 Cc1ccccc1N(C)C 34a_100000219699_200000210301 [1,1,0,0,0,0|2,0,0]=4 1302 B10R1.61 Cc1ccccc1N(C)[13CH3] 2230a_100000219699_200025704644 [1,1,0,0,0,0|2,0,0]=4 1303 B10R1.61 Cc1ccccc1N(C)[13CH3] 269982a_100000219699_200025704644 [1,1,0,0,0,0|2,0,0]=4 1304 B10R1.61 Cc1ccccc1N(C)[13CH3] 34a_100000219699_200025704644 [1,1,0,0,0,0|2,0,0]=4 1305 B10R1.61 NC(=O)c1ccccc1O 271570a_203496583355_100000162227 [1,1,0,0,0,0|0,0,0]=2 1306 B10R1.61 NC(=O)c1cccnc1O 271570a_203496583355_100000162199 [1,1,0,0,0,0|1,0,0]=3 1307 B10R1.61 NC(=O)c1ccncc1O 271570a_203496583355_100010205435 [1,1,0,0,0,0|1,0,0]=3 1308 B10R1.61 NC(=O)c1cnccc1O 271570a_203496583355_100000697804 [1,1,0,0,0,0|1,0,0]=3 1309 B10R1.61 NC(=O)c1ncccc1O 271570a_203496583355_200012359670 [1,1,0,0,0,0|1,0,0]=3 1310 B10R1.61 NC(=O)c1nccnc1O 271570a_203496583355_100000094861 [1,1,0,0,0,0|2,0,0]=4 1311 B10R1.61 [13CH3]C(=O)c1ccccc1Br 1458a_100000188424_200025704644 [1,1,0,0,0,0|0,0,0]=2 1312 B10R1.61 [13CH3]C(=O)c1ccccc1Cl 1458a_100000185844_200025704644 [1,1,0,0,0,0|0,0,0]=2 1313 B10R1.61 [13CH3]C(=O)c1ccccc1F 1458a_100000188656_200025704644 [1,1,0,0,0,0|0,0,0]=2 1314 B10R1.61 [13CH3]C(=O)c1ccccc1I 1458a_100000187884_200025704644 [1,1,0,0,0,0|0,0,0]=2 1315 B10R1.61 [13CH3]C(=O)c1ccccc1O 1458a_100015234032_200025704644 [1,1,0,0,0,0|0,0,0]=2 1316 B10R1.61 [13CH3]C(=O)c1ccccc1[O-] 1458a_100009911694_200025704644 [1,1,0,0,0,0|0,0,0]=2 1317 B10R1.113 C=C(C)c1cc(ccn1)C 271570a_100000694244_100000750283 [1,1,0,0,0,0|2,0,0]=4 1318 B10R1.113 C=C(C)c1cc(ccn1)Cl 271570a_100000694244_100010167805 [1,1,0,0,0,0|2,0,0]=4 1319 B10R1.113 C=C(C)c1cc(ccn1)F 271570a_100000694244_100009817058 [1,1,0,0,0,0|2,0,0]=4 1320 B10R1.113 C=C(C)c1cc(ccn1)N 271570a_100000694244_100009814236 [1,1,0,0,0,0|2,0,0]=4 1321 B10R1.113 C=C(C)c1cc(ccn1)O 271570a_100000694244_100000762945 [1,1,0,0,0,0|2,0,0]=4 1322 B10R1.113 C=C(C)c1cc[nH]c(=O)c1 271570a_100000694244_100009816521 [1,1,0,0,0,0|2,0,0]=4 1323 B10R1.113 C=C(C)c1ccc[n+](c1)C 271570a_100000694244_100009996589 [1,1,0,0,0,0|2,0,0]=4 1324 B10R1.113 C=C(C)c1ccc[n+](c1)[O-] 271570a_100000694244_100009815978 [1,1,0,0,0,0|2,0,0]=4 1325 B10R1.113 C=C(C)c1cccc(=O)[nH]1 271570a_100000694244_100000761760 [1,1,0,0,0,0|2,0,0]=4 1326 B10R1.113 C=C(C)c1cccc(c1)Br 271570a_100000694244_100000691529 [1,1,0,0,0,0|1,0,0]=3 1327 B10R1.113 C=C(C)c1cccc(c1)C 271570a_100000694244_100011215228 [1,1,0,0,0,0|1,0,0]=3 1328 B10R1.113 C=C(C)c1cccc(c1)Cl 271570a_100000694244_100000699651 [1,1,0,0,0,0|1,0,0]=3 1329 B10R1.113 C=C(C)c1cccc(c1)F 271570a_100000694244_100000685547 [1,1,0,0,0,0|1,0,0]=3 1330 B10R1.113 C=C(C)c1cccc(c1)N 271570a_100000694244_100000210019 [1,1,0,0,0,0|1,0,0]=3 1331 B10R1.113 C=C(C)c1cccc(c1)O 271570a_100000694244_100000211634 [1,1,0,0,0,0|1,0,0]=3 1332 B10R1.113 C=C(C)c1cccc(c1)O 271570a_203496583355_100012123953 [1,1,0,0,0,0|1,0,0]=3 1333 B10R1.113 C=C(C)c1cccc(c1)[S] 271570a_100000694244_114929384022 [1,1,0,0,0,0|1,0,0]=3 1334 B10R1.113 C=C(C)c1cccc(n1)Br 271570a_100000694244_100000684672 [1,1,0,0,0,0|2,0,0]=4 1335 B10R1.113 C=C(C)c1cccc(n1)C 271570a_100000694244_100000742759 [1,1,0,0,0,0|2,0,0]=4 1336 B10R1.113 C=C(C)c1cccc(n1)F 271570a_100000694244_100009815982 [1,1,0,0,0,0|2,0,0]=4 1337 B10R1.113 C=C(C)c1cccc(n1)N 271570a_100000694244_100000740741 [1,1,0,0,0,0|2,0,0]=4 1338 B10R1.113 C=C(C)c1ccnc(c1)Br 271570a_100000694244_100009814637 [1,1,0,0,0,0|2,0,0]=4 1339 B10R1.113 C=C(C)c1ccnc(c1)C 271570a_100000694244_100000758586 [1,1,0,0,0,0|2,0,0]=4 1340 B10R1.113 C=C(C)c1ccnc(c1)Cl 271570a_100000694244_100000035001 [1,1,0,0,0,0|2,0,0]=4 1341 B10R1.113 C=C(C)c1ccnc(c1)F 271570a_100000694244_100009816116 [1,1,0,0,0,0|2,0,0]=4 1342 B10R1.113 C=C(C)c1ccnc(c1)N 271570a_100000694244_100000744379 [1,1,0,0,0,0|2,0,0]=4 1343 B10R1.113 C=C(C)c1cncc(c1)Br 271570a_100000694244_100000728054 [1,1,0,0,0,0|2,0,0]=4 1344 B10R1.113 C=C(C)c1cncc(c1)C 271570a_100000694244_100000760492 [1,1,0,0,0,0|2,0,0]=4 1345 B10R1.113 C=C(C)c1cncc(c1)Cl 271570a_100000694244_100000049639 [1,1,0,0,0,0|2,0,0]=4 1346 B10R1.113 C=C(C)c1cncc(c1)F 271570a_100000694244_100000744099 [1,1,0,0,0,0|2,0,0]=4 1347 B10R1.113 C=C(C)c1cncc(c1)N 271570a_100000694244_100000687067 [1,1,0,0,0,0|2,0,0]=4 1348 B10R1.113 C=C(C)c1cncc(c1)O 271570a_100000694244_100000754920 [1,1,0,0,0,0|2,0,0]=4 1349 B10R1.113 C=C(C)c1cncc(c1)O 271570a_203496583355_200009889500 [1,1,0,0,0,0|2,0,0]=4 1350 B10R1.113 CC(=O)c1cc(ccn1)O 271570a_203496583355_100000709912 [1,1,0,0,0,0|1,0,0]=3 1351 B10R1.113 CC(=O)c1cccc(c1)Br 1458a_100000210664_200000210301 [1,1,0,0,0,0|0,0,0]=2 1352 B10R1.113 CC(=O)c1cccc(c1)C 1458a_100000189346_200000210301 [1,1,0,0,0,0|0,0,0]=2 1353 B10R1.113 CC(=O)c1cccc(c1)Cl 1458a_100000210390_200000210301 [1,1,0,0,0,0|0,0,0]=2 1354 B10R1.113 CC(=O)c1cccc(c1)F 1458a_100000210950_200000210301 [1,1,0,0,0,0|0,0,0]=2 1355 B10R1.113 CC(=O)c1cccc(c1)I 1458a_100000184098_200000210301 [1,1,0,0,0,0|0,0,0]=2 1356 B10R1.113 CC(=O)c1cccc(c1)O 1458a_100000183914_200000210301 [1,1,0,0,0,0|0,0,0]=2 1357 B10R1.113 CC(=O)c1cccc(c1)O 271570a_203496583355_100000210093 [1,1,0,0,0,0|0,0,0]=2 1358 B10R1.113 CC(=O)c1cccc(n1)O 271570a_203496583355_100009816502 [1,1,0,0,0,0|1,0,0]=3 1359 B10R1.113 CC(=O)c1ccnc(c1)O 271570a_203496583355_100000685609 [1,1,0,0,0,0|1,0,0]=3 1360 B10R1.113 CC(=O)c1ccnc(n1)O 271570a_203496583355_100010643186 [1,1,0,0,0,0|2,0,0]=4 1361 B10R1.113 CC(=O)c1cncc(c1)O 271570a_203496583355_100011216243 [1,1,0,0,0,0|1,0,0]=3 1362 B10R1.113 CC(C)c1cccc(c1)O 271570a_203496583355_100011214899 [1,1,0,0,0,0|1,0,1]=4 1363 B10R1.113 CC(N)c1cccc(c1)O 271570a_203496583355_100020642005 [1,1,0,0,0,0|1,0,1]=4 1364 B10R1.113 CC(O)c1cccc(c1)O 271570a_203496583355_100000246457 [1,1,0,0,0,0|0,0,2]=4 1365 B10R1.113 CN(C)c1cccc(c1)Br 2230a_100000219648_200000210301 [1,1,0,0,0,0|2,0,0]=4 1366 B10R1.113 CN(C)c1cccc(c1)Br 269982a_100000219648_200000210301 [1,1,0,0,0,0|2,0,0]=4 1367 B10R1.113 CN(C)c1cccc(c1)Br 34a_100000219648_200000210301 [1,1,0,0,0,0|2,0,0]=4 1368 B10R1.113 CN(C)c1cccc(c1)Cl 2230a_100000220044_200000210301 [1,1,0,0,0,0|2,0,0]=4 1369 B10R1.113 CN(C)c1cccc(c1)Cl 269982a_100000220044_200000210301 [1,1,0,0,0,0|2,0,0]=4 1370 B10R1.113 CN(C)c1cccc(c1)Cl 34a_100000220044_200000210301 [1,1,0,0,0,0|2,0,0]=4 1371 B10R1.113 CN(C)c1cccc(c1)F 2230a_100020633736_200000210301 [1,1,0,0,0,0|2,0,0]=4 1372 B10R1.113 CN(C)c1cccc(c1)F 269982a_100020633736_200000210301 [1,1,0,0,0,0|2,0,0]=4 1373 B10R1.113 CN(C)c1cccc(c1)F 34a_100020633736_200000210301 [1,1,0,0,0,0|2,0,0]=4 1374 B10R1.113 CN(C)c1cccc(c1)I 2230a_100000221217_200000210301 [1,1,0,0,0,0|2,0,0]=4 1375 B10R1.113 CN(C)c1cccc(c1)I 269982a_100000221217_200000210301 [1,1,0,0,0,0|2,0,0]=4 1376 B10R1.113 CN(C)c1cccc(c1)I 34a_100000221217_200000210301 [1,1,0,0,0,0|2,0,0]=4 1377 B10R1.113 CN(C)c1cccc(c1)O 2230a_100000756613_200000210301 [1,1,0,0,0,0|2,0,0]=4 1378 B10R1.113 CN(C)c1cccc(c1)O 269982a_100000756613_200000210301 [1,1,0,0,0,0|2,0,0]=4 1379 B10R1.113 CN(C)c1cccc(c1)O 271570a_203496583355_100011215952 [1,1,0,0,0,0|2,0,0]=4 1380 B10R1.113 CN(C)c1cccc(c1)O 34a_100000756613_200000210301 [1,1,0,0,0,0|2,0,0]=4 1381 B10R1.113 CN([13CH3])c1cccc(c1)Br 2230a_100000219648_200025704644 [1,1,0,0,0,0|2,0,0]=4 1382 B10R1.113 CN([13CH3])c1cccc(c1)Br 269982a_100000219648_200025704644 [1,1,0,0,0,0|2,0,0]=4 1383 B10R1.113 CN([13CH3])c1cccc(c1)Br 34a_100000219648_200025704644 [1,1,0,0,0,0|2,0,0]=4 1384 B10R1.113 CN([13CH3])c1cccc(c1)Cl 2230a_100000220044_200025704644 [1,1,0,0,0,0|2,0,0]=4 1385 B10R1.113 CN([13CH3])c1cccc(c1)Cl 269982a_100000220044_200025704644 [1,1,0,0,0,0|2,0,0]=4 1386 B10R1.113 CN([13CH3])c1cccc(c1)Cl 34a_100000220044_200025704644 [1,1,0,0,0,0|2,0,0]=4 1387 B10R1.113 CN([13CH3])c1cccc(c1)F 2230a_100020633736_200025704644 [1,1,0,0,0,0|2,0,0]=4 1388 B10R1.113 CN([13CH3])c1cccc(c1)F 269982a_100020633736_200025704644 [1,1,0,0,0,0|2,0,0]=4 1389 B10R1.113 CN([13CH3])c1cccc(c1)F 34a_100020633736_200025704644 [1,1,0,0,0,0|2,0,0]=4 1390 B10R1.113 CN([13CH3])c1cccc(c1)I 2230a_100000221217_200025704644 [1,1,0,0,0,0|2,0,0]=4 1391 B10R1.113 CN([13CH3])c1cccc(c1)I 269982a_100000221217_200025704644 [1,1,0,0,0,0|2,0,0]=4 1392 B10R1.113 CN([13CH3])c1cccc(c1)I 34a_100000221217_200025704644 [1,1,0,0,0,0|2,0,0]=4 1393 B10R1.113 CN([13CH3])c1cccc(c1)O 2230a_100000756613_200025704644 [1,1,0,0,0,0|2,0,0]=4 1394 B10R1.113 CN([13CH3])c1cccc(c1)O 269982a_100000756613_200025704644 [1,1,0,0,0,0|2,0,0]=4 1395 B10R1.113 CN([13CH3])c1cccc(c1)O 34a_100000756613_200025704644 [1,1,0,0,0,0|2,0,0]=4 1396 B10R1.113 CS(=O)c1cccc(c1)O 271570a_203496583355_100009816267 [1,1,0,0,0,0|1,0,0]=3 1397 B10R1.113 Cc1cccc(c1)C(=O)[13CH3] 1458a_100000189346_200025704644 [1,1,0,0,0,0|0,0,0]=2 1398 B10R1.113 Cc1cccc(c1)N(C)C 2230a_100000219674_200000210301 [1,1,0,0,0,0|2,0,0]=4 1399 B10R1.113 Cc1cccc(c1)N(C)C 269982a_100000219674_200000210301 [1,1,0,0,0,0|2,0,0]=4 1400 B10R1.113 Cc1cccc(c1)N(C)C 34a_100000219674_200000210301 [1,1,0,0,0,0|2,0,0]=4 1401 B10R1.113 Cc1cccc(c1)N(C)[13CH3] 2230a_100000219674_200025704644 [1,1,0,0,0,0|2,0,0]=4 1402 B10R1.113 Cc1cccc(c1)N(C)[13CH3] 269982a_100000219674_200025704644 [1,1,0,0,0,0|2,0,0]=4 1403 B10R1.113 Cc1cccc(c1)N(C)[13CH3] 34a_100000219674_200025704644 [1,1,0,0,0,0|2,0,0]=4 1404 B10R1.113 NC(=O)c1cc(ccn1)O 271570a_203496583355_100000229564 [1,1,0,0,0,0|1,0,0]=3 1405 B10R1.113 NC(=O)c1cc(ncn1)O 271570a_203496583355_100000725265 [1,1,0,0,0,0|2,0,0]=4 1406 B10R1.113 NC(=O)c1cccc(c1)O 271570a_203496583355_100000162208 [1,1,0,0,0,0|0,0,0]=2 1407 B10R1.113 NC(=O)c1cccc(n1)O 271570a_203496583355_100011834053 [1,1,0,0,0,0|1,0,0]=3 1408 B10R1.113 NC(=O)c1ccnc(c1)O 271570a_203496583355_100000229836 [1,1,0,0,0,0|1,0,0]=3 1409 B10R1.113 NC(=O)c1ccnc(n1)O 271570a_203496583355_100000066158 [1,1,0,0,0,0|2,0,0]=4 1410 B10R1.113 NC(=O)c1cncc(c1)O 271570a_203496583355_100000162242 [1,1,0,0,0,0|1,0,0]=3 1411 B10R1.113 NC(=O)c1cncc(n1)O 271570a_203496583355_100000764846 [1,1,0,0,0,0|2,0,0]=4 1412 B10R1.113 NC(=O)c1cnnc(c1)O 271570a_203496583355_100015785749 [1,1,0,0,0,0|2,0,0]=4 1413 B10R1.113 [13CH3]C(=O)c1cccc(c1)Br 1458a_100000210664_200025704644 [1,1,0,0,0,0|0,0,0]=2 1414 B10R1.113 [13CH3]C(=O)c1cccc(c1)Cl 1458a_100000210390_200025704644 [1,1,0,0,0,0|0,0,0]=2 1415 B10R1.113 [13CH3]C(=O)c1cccc(c1)F 1458a_100000210950_200025704644 [1,1,0,0,0,0|0,0,0]=2 1416 B10R1.113 [13CH3]C(=O)c1cccc(c1)I 1458a_100000184098_200025704644 [1,1,0,0,0,0|0,0,0]=2 1417 B10R1.113 [13CH3]C(=O)c1cccc(c1)O 1458a_100000183914_200025704644 [1,1,0,0,0,0|0,0,0]=2 1418 B10R1.1 C/C=C/c1ccc(cc1)O 271570a_203496583355_100016259036 [1,1,0,0,0,0|1,0,0]=3 1419 B10R1.1 C=C=Cc1ccc(cc1)Br 271570a_100015277604_100000752885 [1,1,0,0,0,0|1,0,1]=4 1420 B10R1.1 C=C=Cc1ccc(cc1)C 271570a_100015277604_100000186775 [1,1,0,0,0,0|1,0,1]=4 1421 B10R1.1 C=C=Cc1ccc(cc1)Cl 271570a_100015277604_100000755918 [1,1,0,0,0,0|1,0,1]=4 1422 B10R1.1 C=C=Cc1ccc(cc1)F 271570a_100015277604_100000211213 [1,1,0,0,0,0|1,0,1]=4 1423 B10R1.1 C=C=Cc1ccc(cc1)N 271570a_100015277604_100000185761 [1,1,0,0,0,0|1,0,1]=4 1424 B10R1.1 C=C=Cc1ccc(cc1)O 271570a_100015277604_100000185759 [1,1,0,0,0,0|1,0,1]=4 1425 B10R1.1 CC=Cc1cc[n+](cc1)[O-] 271570a_100016259895_100000039755 [1,1,0,0,0,0|2,0,0]=4 1426 B10R1.1 CC=Cc1ccc(=O)[nH]c1 271570a_100016259895_100000212171 [1,1,0,0,0,0|2,0,0]=4 1427 B10R1.1 CC=Cc1ccc(cc1)Br 271570a_100016259895_100000752885 [1,1,0,0,0,0|1,0,0]=3 1428 B10R1.1 CC=Cc1ccc(cc1)C 271570a_100016259895_100000186775 [1,1,0,0,0,0|1,0,0]=3 1429 B10R1.1 CC=Cc1ccc(cc1)Cl 271570a_100016259895_100000755918 [1,1,0,0,0,0|1,0,0]=3 1430 B10R1.1 CC=Cc1ccc(cc1)F 271570a_100016259895_100000211213 [1,1,0,0,0,0|1,0,0]=3 1431 B10R1.1 CC=Cc1ccc(cc1)N 271570a_100016259895_100000185761 [1,1,0,0,0,0|1,0,0]=3 1432 B10R1.1 CC=Cc1ccc(cc1)O 271570a_100016259895_100000185759 [1,1,0,0,0,0|1,0,0]=3 1433 B10R1.1 CC=Cc1ccc(cn1)Br 271570a_100016259895_100000686858 [1,1,0,0,0,0|2,0,0]=4 1434 B10R1.1 CC=Cc1ccc(cn1)C 271570a_100016259895_100000754016 [1,1,0,0,0,0|2,0,0]=4 1435 B10R1.1 CC=Cc1ccc(cn1)Cl 271570a_100016259895_100011356976 [1,1,0,0,0,0|2,0,0]=4 1436 B10R1.1 CC=Cc1ccc(cn1)F 271570a_100016259895_100000744514 [1,1,0,0,0,0|2,0,0]=4 1437 B10R1.1 CC=Cc1ccc(cn1)N 271570a_100016259895_100000744251 [1,1,0,0,0,0|2,0,0]=4 1438 B10R1.1 CC=Cc1ccc(cn1)O 271570a_100016259895_100000685995 [1,1,0,0,0,0|2,0,0]=4 1439 B10R1.1 CC=Cc1ccc(nc1)Br 271570a_100016259895_100009814638 [1,1,0,0,0,0|2,0,0]=4 1440 B10R1.1 CC=Cc1ccc(nc1)C 271570a_100016259895_100000751577 [1,1,0,0,0,0|2,0,0]=4 1441 B10R1.1 CC=Cc1ccc(nc1)Cl 271570a_100016259895_100000034144 [1,1,0,0,0,0|2,0,0]=4 1442 B10R1.1 CC=Cc1ccc(nc1)F 271570a_100016259895_100000748661 [1,1,0,0,0,0|2,0,0]=4 1443 B10R1.1 CC=Cc1ccc(nc1)N 271570a_100016259895_100000187370 [1,1,0,0,0,0|2,0,0]=4 1444 B10R1.1 CCCc1ccc(cc1)O 271570a_203496583355_100000750032 [1,1,0,0,0,0|1,0,1]=4 1445 B10R1.1 CCNc1ccc(cc1)Br 2230a_100000210018_100000210202 [1,1,0,0,0,0|2,0,0]=4 1446 B10R1.1 CCNc1ccc(cc1)Br 34a_100000210018_100000210202 [1,1,0,0,0,0|2,0,0]=4 1447 B10R1.1 CCNc1ccc(cc1)C 34a_100000124888_100000210202 [1,1,0,0,0,0|2,0,0]=4 1448 B10R1.1 CCNc1ccc(cc1)Cl 2230a_100000210052_100000210202 [1,1,0,0,0,0|2,0,0]=4 1449 B10R1.1 CCNc1ccc(cc1)Cl 34a_100000210052_100000210202 [1,1,0,0,0,0|2,0,0]=4 1450 B10R1.1 CCNc1ccc(cc1)F 34a_100000185862_100000210202 [1,1,0,0,0,0|2,0,0]=4 1451 B10R1.1 CCNc1ccc(cc1)I 34a_100000185761_100000210202 [1,1,0,0,0,0|2,0,0]=4 1452 B10R1.1 CCNc1ccc(cc1)O 271570a_203496583355_100000219632 [1,1,0,0,0,0|2,0,0]=4 1453 B10R1.1 CCNc1ccc(cc1)O 34a_100000185829_100000210202 [1,1,0,0,0,0|2,0,0]=4 1454 B10R1.1 CCOc1ccc(cc1)Br 34a_100000185759_100000210202 [1,1,0,0,0,0|2,0,0]=4 1455 B10R1.1 CCOc1ccc(cc1)Br 7a_100000185759_100000210202 [1,1,0,0,0,0|2,0,0]=4 1456 B10R1.1 CCOc1ccc(cc1)C 34a_100000210336_100000210202 [1,1,0,0,0,0|2,0,0]=4 1457 B10R1.1 CCOc1ccc(cc1)C 7a_100000210336_100000210202 [1,1,0,0,0,0|2,0,0]=4 1458 B10R1.1 CCOc1ccc(cc1)Cl 34a_100000210216_100000210202 [1,1,0,0,0,0|2,0,0]=4 1459 B10R1.1 CCOc1ccc(cc1)Cl 7a_100000210216_100000210202 [1,1,0,0,0,0|2,0,0]=4 1460 B10R1.1 CCOc1ccc(cc1)F 34a_100000210339_100000210202 [1,1,0,0,0,0|2,0,0]=4 1461 B10R1.1 CCOc1ccc(cc1)I 34a_100000212066_100000210202 [1,1,0,0,0,0|2,0,0]=4 1462 B10R1.1 CCOc1ccc(cc1)I 7a_100000212066_100000210202 [1,1,0,0,0,0|2,0,0]=4 1463 B10R1.1 CCOc1ccc(cc1)N 34a_100000185829_100000210202 [1,1,0,0,0,0|2,0,0]=4 1464 B10R1.1 CCOc1ccc(cc1)O 271570a_203496583355_100000169946 [1,1,0,0,0,0|2,0,0]=4 1465 B10R1.1 CCSc1ccc(cc1)Br 62a_100000210202_100000752885 [1,1,0,0,0,0|2,0,0]=4 1466 B10R1.1 CCSc1ccc(cc1)Br 62a_100000752885_100000210202 [1,1,0,0,0,0|2,0,0]=4 1467 B10R1.1 CCSc1ccc(cc1)C 62a_100000186775_100000210202 [1,1,0,0,0,0|2,0,0]=4 1468 B10R1.1 CCSc1ccc(cc1)C 62a_100000210202_100000186775 [1,1,0,0,0,0|2,0,0]=4 1469 B10R1.1 CCSc1ccc(cc1)Cl 62a_100000210202_100000755918 [1,1,0,0,0,0|2,0,0]=4 1470 B10R1.1 CCSc1ccc(cc1)Cl 62a_100000755918_100000210202 [1,1,0,0,0,0|2,0,0]=4 1471 B10R1.1 CCSc1ccc(cc1)F 62a_100000210202_100000211213 [1,1,0,0,0,0|2,0,0]=4 1472 B10R1.1 CCSc1ccc(cc1)F 62a_100000211213_100000210202 [1,1,0,0,0,0|2,0,0]=4 1473 B10R1.1 CCSc1ccc(cc1)N 62a_100000185761_100000210202 [1,1,0,0,0,0|2,0,0]=4 1474 B10R1.1 CCSc1ccc(cc1)N 62a_100000210202_100000185761 [1,1,0,0,0,0|2,0,0]=4 1475 B10R1.1 CCSc1ccc(cc1)O 271570a_203496583355_200009811893 [1,1,0,0,0,0|2,0,0]=4 1476 B10R1.1 CCSc1ccc(cc1)O 62a_100000210202_100000185759 [1,1,0,0,0,0|2,0,0]=4 1477 B10R1.1 CNCc1ccc(cc1)Br 207a_100102657272_100000186029 [1,1,0,0,0,0|0,0,1]=3 1478 B10R1.1 CNCc1ccc(cc1)Br 2230a_100000174875_200000210301 [1,1,0,0,0,0|0,0,1]=3 1479 B10R1.1 CNCc1ccc(cc1)Br 2230a_106832991635_100011217064 [1,1,0,0,0,0|0,0,1]=3 1480 B10R1.1 CNCc1ccc(cc1)Br 26a_100102657272_100000185759 [1,1,0,0,0,0|0,0,1]=3 1481 B10R1.1 CNCc1ccc(cc1)Br 270004a_106832991635_100000186029 [1,1,0,0,0,0|0,0,1]=3 1482 B10R1.1 CNCc1ccc(cc1)Br 34a_100000174875_200000210301 [1,1,0,0,0,0|0,0,1]=3 1483 B10R1.1 CNCc1ccc(cc1)Br 34a_100102657272_100000189115 [1,1,0,0,0,0|0,0,1]=3 1484 B10R1.1 CNCc1ccc(cc1)Br 7a_106832991635_100011217064 [1,1,0,0,0,0|0,0,1]=3 1485 B10R1.1 CNCc1ccc(cc1)C 207a_100102657272_100000211033 [1,1,0,0,0,0|0,0,1]=3 1486 B10R1.1 CNCc1ccc(cc1)C 2230a_100000174908_200000210301 [1,1,0,0,0,0|0,0,1]=3 1487 B10R1.1 CNCc1ccc(cc1)C 2230a_106832991635_100000210814 [1,1,0,0,0,0|0,0,1]=3 1488 B10R1.1 CNCc1ccc(cc1)C 26a_100102657272_200020625495 [1,1,0,0,0,0|0,0,1]=3 1489 B10R1.1 CNCc1ccc(cc1)C 270004a_106832991635_100000211033 [1,1,0,0,0,0|0,0,1]=3 1490 B10R1.1 CNCc1ccc(cc1)C 34a_100000174908_200000210301 [1,1,0,0,0,0|0,0,1]=3 1491 B10R1.1 CNCc1ccc(cc1)C 34a_100102657272_100000210814 [1,1,0,0,0,0|0,0,1]=3 1492 B10R1.1 CNCc1ccc(cc1)C 7a_106832991635_100000210814 [1,1,0,0,0,0|0,0,1]=3 1493 B10R1.1 CNCc1ccc(cc1)Cl 207a_100102657272_100000189385 [1,1,0,0,0,0|0,0,1]=3 1494 B10R1.1 CNCc1ccc(cc1)Cl 2230a_100000174871_200000210301 [1,1,0,0,0,0|0,0,1]=3 1495 B10R1.1 CNCc1ccc(cc1)Cl 2230a_106832991635_100000694040 [1,1,0,0,0,0|0,0,1]=3 1496 B10R1.1 CNCc1ccc(cc1)Cl 270004a_106832991635_100000189385 [1,1,0,0,0,0|0,0,1]=3 1497 B10R1.1 CNCc1ccc(cc1)Cl 34a_100000174871_200000210301 [1,1,0,0,0,0|0,0,1]=3 1498 B10R1.1 CNCc1ccc(cc1)Cl 34a_100102657272_100000694040 [1,1,0,0,0,0|0,0,1]=3 1499 B10R1.1 CNCc1ccc(cc1)Cl 7a_106832991635_100000187161 [1,1,0,0,0,0|0,0,1]=3 1500 B10R1.1 CNCc1ccc(cc1)F 207a_100102657272_100000210084 [1,1,0,0,0,0|0,0,1]=3 1501 B10R1.1 CNCc1ccc(cc1)F 2230a_100000174882_200000210301 [1,1,0,0,0,0|0,0,1]=3 1502 B10R1.1 CNCc1ccc(cc1)F 2230a_106832991635_100000198546 [1,1,0,0,0,0|0,0,1]=3 1503 B10R1.1 CNCc1ccc(cc1)F 270004a_106832991635_100000210084 [1,1,0,0,0,0|0,0,1]=3 1504 B10R1.1 CNCc1ccc(cc1)F 34a_100000174882_200000210301 [1,1,0,0,0,0|0,0,1]=3 1505 B10R1.1 CNCc1ccc(cc1)F 34a_100102657272_100000198546 [1,1,0,0,0,0|0,0,1]=3 1506 B10R1.1 CNCc1ccc(cc1)F 7a_106832991635_100000198546 [1,1,0,0,0,0|0,0,1]=3 1507 B10R1.1 CNCc1ccc(cc1)I 207a_100102657272_100000188517 [1,1,0,0,0,0|0,0,1]=3 1508 B10R1.1 CNCc1ccc(cc1)I 2230a_100016989417_200000210301 [1,1,0,0,0,0|0,0,1]=3 1509 B10R1.1 CNCc1ccc(cc1)I 2230a_106832991635_100000189116 [1,1,0,0,0,0|0,0,1]=3 1510 B10R1.1 CNCc1ccc(cc1)I 34a_100016989417_200000210301 [1,1,0,0,0,0|0,0,1]=3 1511 B10R1.1 CNCc1ccc(cc1)I 34a_100102657272_100000189116 [1,1,0,0,0,0|0,0,1]=3 1512 B10R1.1 CNCc1ccc(cc1)I 7a_106832991635_100000189116 [1,1,0,0,0,0|0,0,1]=3 1513 B10R1.1 CNCc1ccc(cc1)O 271570a_203496583355_100000180866 [1,1,0,0,0,0|0,0,1]=3 1514 B10R1.1 CNCc1ccc(cc1)O 34a_100000185549_200000210301 [1,1,0,0,0,0|0,0,1]=3 1515 B10R1.1 CNCc1ccc(cn1)Br 207a_100102657272_100000754260 [1,1,0,0,0,0|1,0,1]=4 1516 B10R1.1 CNCc1ccc(cn1)Br 2230a_106832991635_100000702658 [1,1,0,0,0,0|1,0,1]=4 1517 B10R1.1 CNCc1ccc(cn1)Br 270004a_106832991635_100000754260 [1,1,0,0,0,0|1,0,1]=4 1518 B10R1.1 CNCc1ccc(cn1)Br 34a_100015188789_200000210301 [1,1,0,0,0,0|1,0,1]=4 1519 B10R1.1 CNCc1ccc(cn1)Br 34a_100102657272_100000702658 [1,1,0,0,0,0|1,0,1]=4 1520 B10R1.1 CNCc1ccc(cn1)Br 7a_106832991635_100000702658 [1,1,0,0,0,0|1,0,1]=4 1521 B10R1.1 CNCc1ccc(cn1)C 207a_100102657272_100000050478 [1,1,0,0,0,0|1,0,1]=4 1522 B10R1.1 CNCc1ccc(cn1)C 2230a_106832991635_100000691093 [1,1,0,0,0,0|1,0,1]=4 1523 B10R1.1 CNCc1ccc(cn1)C 270004a_106832991635_100000050478 [1,1,0,0,0,0|1,0,1]=4 1524 B10R1.1 CNCc1ccc(cn1)C 34a_100015187455_200000210301 [1,1,0,0,0,0|1,0,1]=4 1525 B10R1.1 CNCc1ccc(cn1)C 34a_100102657272_100000691093 [1,1,0,0,0,0|1,0,1]=4 1526 B10R1.1 CNCc1ccc(cn1)C 7a_106832991635_100000691093 [1,1,0,0,0,0|1,0,1]=4 1527 B10R1.1 CNCc1ccc(cn1)Cl 207a_100102657272_100011361569 [1,1,0,0,0,0|1,0,1]=4 1528 B10R1.1 CNCc1ccc(cn1)Cl 2230a_106832991635_100012066911 [1,1,0,0,0,0|1,0,1]=4 1529 B10R1.1 CNCc1ccc(cn1)Cl 270004a_106832991635_100011361569 [1,1,0,0,0,0|1,0,1]=4 1530 B10R1.1 CNCc1ccc(cn1)Cl 34a_100000697193_200000210301 [1,1,0,0,0,0|1,0,1]=4 1531 B10R1.1 CNCc1ccc(cn1)Cl 34a_100102657272_100012066911 [1,1,0,0,0,0|1,0,1]=4 1532 B10R1.1 CNCc1ccc(cn1)Cl 7a_106832991635_100012066911 [1,1,0,0,0,0|1,0,1]=4 1533 B10R1.1 CNCc1ccc(cn1)F 207a_100102657272_100011934744 [1,1,0,0,0,0|1,0,1]=4 1534 B10R1.1 CNCc1ccc(cn1)F 2230a_106832991635_100000703193 [1,1,0,0,0,0|1,0,1]=4 1535 B10R1.1 CNCc1ccc(cn1)F 270004a_106832991635_100011934744 [1,1,0,0,0,0|1,0,1]=4 1536 B10R1.1 CNCc1ccc(cn1)F 34a_100020620131_200000210301 [1,1,0,0,0,0|1,0,1]=4 1537 B10R1.1 CNCc1ccc(cn1)F 34a_100102657272_100000703193 [1,1,0,0,0,0|1,0,1]=4 1538 B10R1.1 CNCc1ccc(cn1)F 7a_106832991635_100000703193 [1,1,0,0,0,0|1,0,1]=4 1539 B10R1.1 CNCc1ccc(nc1)Br 2230a_100009817727_200000210301 [1,1,0,0,0,0|1,0,1]=4 1540 B10R1.1 CNCc1ccc(nc1)Br 2230a_106832991635_100009831999 [1,1,0,0,0,0|1,0,1]=4 1541 B10R1.1 CNCc1ccc(nc1)Br 34a_100009817727_200000210301 [1,1,0,0,0,0|1,0,1]=4 1542 B10R1.1 CNCc1ccc(nc1)Br 34a_100102657272_100009831999 [1,1,0,0,0,0|1,0,1]=4 1543 B10R1.1 CNCc1ccc(nc1)Br 7a_106832991635_100009831999 [1,1,0,0,0,0|1,0,1]=4 1544 B10R1.1 CNCc1ccc(nc1)C 2230a_106832991635_100016987292 [1,1,0,0,0,0|1,0,1]=4 1545 B10R1.1 CNCc1ccc(nc1)C 270004a_106832991635_100000743784 [1,1,0,0,0,0|1,0,1]=4 1546 B10R1.1 CNCc1ccc(nc1)C 34a_100000740942_200000210301 [1,1,0,0,0,0|1,0,1]=4 1547 B10R1.1 CNCc1ccc(nc1)C 34a_100102657272_100016987292 [1,1,0,0,0,0|1,0,1]=4 1548 B10R1.1 CNCc1ccc(nc1)C 7a_106832991635_100016987292 [1,1,0,0,0,0|1,0,1]=4 1549 B10R1.1 CNCc1ccc(nc1)Cl 2230a_100000735879_200000210301 [1,1,0,0,0,0|1,0,1]=4 1550 B10R1.1 CNCc1ccc(nc1)Cl 2230a_106832991635_100000735431 [1,1,0,0,0,0|1,0,1]=4 1551 B10R1.1 CNCc1ccc(nc1)Cl 34a_100000735879_200000210301 [1,1,0,0,0,0|1,0,1]=4 1552 B10R1.1 CNCc1ccc(nc1)Cl 34a_100102657272_100000735431 [1,1,0,0,0,0|1,0,1]=4 1553 B10R1.1 CNCc1ccc(nc1)Cl 7a_106832991635_100000735431 [1,1,0,0,0,0|1,0,1]=4 1554 B10R1.1 CNCc1ccc(nc1)F 2230a_100000101913_200000210301 [1,1,0,0,0,0|1,0,1]=4 1555 B10R1.1 CNCc1ccc(nc1)F 2230a_106832991635_100009820150 [1,1,0,0,0,0|1,0,1]=4 1556 B10R1.1 CNCc1ccc(nc1)F 34a_100000101913_200000210301 [1,1,0,0,0,0|1,0,1]=4 1557 B10R1.1 CNCc1ccc(nc1)F 34a_100102657272_100000099788 [1,1,0,0,0,0|1,0,1]=4 1558 B10R1.1 CNCc1ccc(nc1)F 7a_106832991635_100009820150 [1,1,0,0,0,0|1,0,1]=4 1559 B10R1.1 CNCc1ccc(nc1)O 207a_100102657272_100011361521 [1,1,0,0,0,0|1,0,1]=4 1560 B10R1.1 CNCc1ccc(nc1)O 2230a_100000757128_200000210301 [1,1,0,0,0,0|1,0,1]=4 1561 B10R1.1 CNCc1ccc(nc1)O 271570a_203496583355_100000026953 [1,1,0,0,0,0|1,0,1]=4 1562 B10R1.1 COCc1ccc(cc1)Br 34a_100000695286_200000210301 [1,1,0,0,0,0|1,0,1]=4 1563 B10R1.1 COCc1ccc(cc1)Br 34a_100138415774_100000189115 [1,1,0,0,0,0|1,0,1]=4 1564 B10R1.1 COCc1ccc(cc1)C 34a_100011215236_200000210301 [1,1,0,0,0,0|1,0,1]=4 1565 B10R1.1 COCc1ccc(cc1)C 34a_100138415774_100000210814 [1,1,0,0,0,0|1,0,1]=4 1566 B10R1.1 COCc1ccc(cc1)C 7a_100011215236_200000210301 [1,1,0,0,0,0|1,0,1]=4 1567 B10R1.1 COCc1ccc(cc1)Cl 34a_100000211118_200000210301 [1,1,0,0,0,0|1,0,1]=4 1568 B10R1.1 COCc1ccc(cc1)Cl 34a_100138415774_100000694040 [1,1,0,0,0,0|1,0,1]=4 1569 B10R1.1 COCc1ccc(cc1)Cl 7a_100000211118_200000210301 [1,1,0,0,0,0|1,0,1]=4 1570 B10R1.1 COCc1ccc(cc1)F 34a_100000210977_200000210301 [1,1,0,0,0,0|1,0,1]=4 1571 B10R1.1 COCc1ccc(cc1)F 34a_100138415774_100000198546 [1,1,0,0,0,0|1,0,1]=4 1572 B10R1.1 COCc1ccc(cc1)F 7a_100000210977_200000210301 [1,1,0,0,0,0|1,0,1]=4 1573 B10R1.1 COCc1ccc(cc1)I 34a_100000690907_200000210301 [1,1,0,0,0,0|1,0,1]=4 1574 B10R1.1 COCc1ccc(cc1)I 34a_100138415774_100000189116 [1,1,0,0,0,0|1,0,1]=4 1575 B10R1.1 COCc1ccc(cc1)I 7a_100000690907_200000210301 [1,1,0,0,0,0|1,0,1]=4 1576 B10R1.1 COCc1ccc(cc1)N 34a_100011215238_200000210301 [1,1,0,0,0,0|1,0,1]=4 1577 B10R1.1 COCc1ccc(cc1)O 271570a_203496583355_100011493685 [1,1,0,0,0,0|1,0,1]=4 1578 B10R1.1 CSCc1ccc(cc1)Br 62a_100000189115_200000210301 [1,1,0,0,0,0|1,0,1]=4 1579 B10R1.1 CSCc1ccc(cc1)Br 62a_200000210301_100000189115 [1,1,0,0,0,0|1,0,1]=4 1580 B10R1.1 CSCc1ccc(cc1)C 62a_100000210814_200000210301 [1,1,0,0,0,0|1,0,1]=4 1581 B10R1.1 CSCc1ccc(cc1)C 62a_200000210301_100000210814 [1,1,0,0,0,0|1,0,1]=4 1582 B10R1.1 CSCc1ccc(cc1)Cl 62a_100000187161_200000210301 [1,1,0,0,0,0|1,0,1]=4 1583 B10R1.1 CSCc1ccc(cc1)Cl 62a_200000210301_100000187161 [1,1,0,0,0,0|1,0,1]=4 1584 B10R1.1 CSCc1ccc(cc1)F 62a_100000198546_200000210301 [1,1,0,0,0,0|1,0,1]=4 1585 B10R1.1 CSCc1ccc(cc1)F 62a_200000210301_100000187164 [1,1,0,0,0,0|1,0,1]=4 1586 B10R1.1 CSCc1ccc(cc1)I 62a_100000189116_200000210301 [1,1,0,0,0,0|1,0,1]=4 1587 B10R1.1 CSCc1ccc(cc1)I 62a_200000210301_100000189116 [1,1,0,0,0,0|1,0,1]=4 1588 B10R1.1 Cc1ccc(cc1)CN[13CH3] 2230a_100000174908_200025704644 [1,1,0,0,0,0|0,0,1]=3 1589 B10R1.1 Cc1ccc(cc1)CN[13CH3] 34a_100000174908_200025704644 [1,1,0,0,0,0|0,0,1]=3 1590 B10R1.1 Cc1ccc(cc1)CO[13CH3] 34a_100011215236_200025704644 [1,1,0,0,0,0|1,0,1]=4 1591 B10R1.1 Cc1ccc(cc1)CO[13CH3] 7a_100011215236_200025704644 [1,1,0,0,0,0|1,0,1]=4 1592 B10R1.1 Cc1ccc(cc1)CS[13CH3] 62a_100000210814_200025704644 [1,1,0,0,0,0|1,0,1]=4 1593 B10R1.1 Cc1ccc(cc1)CS[13CH3] 62a_200025704644_100000210814 [1,1,0,0,0,0|1,0,1]=4 1594 B10R1.1 Cc1ccc(cn1)CN[13CH3] 34a_100000740942_200025704644 [1,1,0,0,0,0|1,0,1]=4 1595 B10R1.1 Cc1ccc(nc1)CN[13CH3] 34a_100015187455_200025704644 [1,1,0,0,0,0|1,0,1]=4 1596 B10R1.1 NNCc1ccc(cc1)O 271570a_203496583355_100016993955 [1,1,0,0,0,0|1,0,1]=4 1597 B10R1.1 Oc1ccc(cc1)/C=C/Br 271570a_203496583355_200016255901 [1,1,0,0,0,0|2,0,0]=4 1598 B10R1.1 [13CH3]NCc1ccc(cc1)Br 2230a_100000174875_200025704644 [1,1,0,0,0,0|0,0,1]=3 1599 B10R1.1 [13CH3]NCc1ccc(cc1)Br 34a_100000174875_200025704644 [1,1,0,0,0,0|0,0,1]=3 1600 B10R1.1 [13CH3]NCc1ccc(cc1)Cl 2230a_100000174871_200025704644 [1,1,0,0,0,0|0,0,1]=3 1601 B10R1.1 [13CH3]NCc1ccc(cc1)Cl 34a_100000174871_200025704644 [1,1,0,0,0,0|0,0,1]=3 1602 B10R1.1 [13CH3]NCc1ccc(cc1)F 2230a_100000174882_200025704644 [1,1,0,0,0,0|0,0,1]=3 1603 B10R1.1 [13CH3]NCc1ccc(cc1)F 34a_100000174882_200025704644 [1,1,0,0,0,0|0,0,1]=3 1604 B10R1.1 [13CH3]NCc1ccc(cc1)I 2230a_100016989417_200025704644 [1,1,0,0,0,0|0,0,1]=3 1605 B10R1.1 [13CH3]NCc1ccc(cc1)I 34a_100016989417_200025704644 [1,1,0,0,0,0|0,0,1]=3 1606 B10R1.1 [13CH3]NCc1ccc(cc1)O 34a_100000185549_200025704644 [1,1,0,0,0,0|0,0,1]=3 1607 B10R1.1 [13CH3]NCc1ccc(cn1)Br 34a_100015188789_200025704644 [1,1,0,0,0,0|1,0,1]=4 1608 B10R1.1 [13CH3]NCc1ccc(cn1)Cl 34a_100000697193_200025704644 [1,1,0,0,0,0|1,0,1]=4 1609 B10R1.1 [13CH3]NCc1ccc(cn1)F 34a_100020620131_200025704644 [1,1,0,0,0,0|1,0,1]=4 1610 B10R1.1 [13CH3]NCc1ccc(nc1)Br 2230a_100009817727_200025704644 [1,1,0,0,0,0|1,0,1]=4 1611 B10R1.1 [13CH3]NCc1ccc(nc1)Br 34a_100009817727_200025704644 [1,1,0,0,0,0|1,0,1]=4 1612 B10R1.1 [13CH3]NCc1ccc(nc1)Cl 2230a_100000735879_200025704644 [1,1,0,0,0,0|1,0,1]=4 1613 B10R1.1 [13CH3]NCc1ccc(nc1)Cl 34a_100000735879_200025704644 [1,1,0,0,0,0|1,0,1]=4 1614 B10R1.1 [13CH3]NCc1ccc(nc1)F 2230a_100000101913_200025704644 [1,1,0,0,0,0|1,0,1]=4 1615 B10R1.1 [13CH3]NCc1ccc(nc1)F 34a_100000101913_200025704644 [1,1,0,0,0,0|1,0,1]=4 1616 B10R1.1 [13CH3]NCc1ccc(nc1)O 2230a_100000757128_200025704644 [1,1,0,0,0,0|1,0,1]=4 1617 B10R1.1 [13CH3]OCc1ccc(cc1)Br 34a_100000695286_200025704644 [1,1,0,0,0,0|1,0,1]=4 1618 B10R1.1 [13CH3]OCc1ccc(cc1)Cl 34a_100000211118_200025704644 [1,1,0,0,0,0|1,0,1]=4 1619 B10R1.1 [13CH3]OCc1ccc(cc1)Cl 7a_100000211118_200025704644 [1,1,0,0,0,0|1,0,1]=4 1620 B10R1.1 [13CH3]OCc1ccc(cc1)F 34a_100000210977_200025704644 [1,1,0,0,0,0|1,0,1]=4 1621 B10R1.1 [13CH3]OCc1ccc(cc1)F 7a_100000210977_200025704644 [1,1,0,0,0,0|1,0,1]=4 1622 B10R1.1 [13CH3]OCc1ccc(cc1)I 34a_100000690907_200025704644 [1,1,0,0,0,0|1,0,1]=4 1623 B10R1.1 [13CH3]OCc1ccc(cc1)I 7a_100000690907_200025704644 [1,1,0,0,0,0|1,0,1]=4 1624 B10R1.1 [13CH3]OCc1ccc(cc1)N 34a_100011215238_200025704644 [1,1,0,0,0,0|1,0,1]=4 1625 B10R1.1 [13CH3]SCc1ccc(cc1)Br 62a_100000189115_200025704644 [1,1,0,0,0,0|1,0,1]=4 1626 B10R1.1 [13CH3]SCc1ccc(cc1)Br 62a_200025704644_100000189115 [1,1,0,0,0,0|1,0,1]=4 1627 B10R1.1 [13CH3]SCc1ccc(cc1)Cl 62a_100000187161_200025704644 [1,1,0,0,0,0|1,0,1]=4 1628 B10R1.1 [13CH3]SCc1ccc(cc1)Cl 62a_200025704644_100000187161 [1,1,0,0,0,0|1,0,1]=4 1629 B10R1.1 [13CH3]SCc1ccc(cc1)F 62a_100000198546_200025704644 [1,1,0,0,0,0|1,0,1]=4 1630 B10R1.1 [13CH3]SCc1ccc(cc1)F 62a_200025704644_100000187164 [1,1,0,0,0,0|1,0,1]=4 1631 B10R1.1 [13CH3]SCc1ccc(cc1)I 62a_100000189116_200025704644 [1,1,0,0,0,0|1,0,1]=4 1632 B10R1.1 [13CH3]SCc1ccc(cc1)I 62a_200025704644_100000189116 [1,1,0,0,0,0|1,0,1]=4 1633 B10R1.4 C=C=Cc1ccccc1Br 271570a_100015277604_100000695589 [1,1,0,0,0,0|1,0,1]=4 1634 B10R1.4 C=C=Cc1ccccc1C 271570a_100015277604_100000210755 [1,1,0,0,0,0|1,0,1]=4 1635 B10R1.4 C=C=Cc1ccccc1Cl 271570a_100015277604_100000764095 [1,1,0,0,0,0|1,0,1]=4 1636 B10R1.4 C=C=Cc1ccccc1F 271570a_100015277604_100011215700 [1,1,0,0,0,0|1,0,1]=4 1637 B10R1.4 C=C=Cc1ccccc1N 271570a_100015277604_100000210017 [1,1,0,0,0,0|1,0,1]=4 1638 B10R1.4 C=C=Cc1ccccc1O 271570a_100015277604_100000739446 [1,1,0,0,0,0|1,0,1]=4 1639 B10R1.4 CC=Cc1c[nH]ccc1=O 271570a_100016259895_100009998708 [1,1,0,0,0,0|2,0,0]=4 1640 B10R1.4 CC=Cc1c[nH]ccc1=S 271570a_100016259895_200012280681 [1,1,0,0,0,0|2,0,0]=4 1641 B10R1.4 CC=Cc1ccc[nH]c1=O 271570a_100016259895_100000050042 [1,1,0,0,0,0|2,0,0]=4 1642 B10R1.4 CC=Cc1cccc[n+]1C 271570a_100016259895_100000212160 [1,1,0,0,0,0|2,0,0]=4 1643 B10R1.4 CC=Cc1cccc[n+]1[O-] 271570a_100016259895_200000042595 [1,1,0,0,0,0|2,0,0]=4 1644 B10R1.4 CC=Cc1ccccc1Br 271570a_100016259895_100000695589 [1,1,0,0,0,0|1,0,0]=3 1645 B10R1.4 CC=Cc1ccccc1C 271570a_100016259895_100000210755 [1,1,0,0,0,0|1,0,0]=3 1646 B10R1.4 CC=Cc1ccccc1Cl 271570a_100016259895_100000764095 [1,1,0,0,0,0|1,0,0]=3 1647 B10R1.4 CC=Cc1ccccc1F 271570a_100016259895_100011215700 [1,1,0,0,0,0|1,0,0]=3 1648 B10R1.4 CC=Cc1ccccc1N 271570a_100016259895_100000210017 [1,1,0,0,0,0|1,0,0]=3 1649 B10R1.4 CC=Cc1ccccc1O 271570a_100016259895_100000739446 [1,1,0,0,0,0|1,0,0]=3 1650 B10R1.4 CC=Cc1cccnc1Br 271570a_100016259895_100010202626 [1,1,0,0,0,0|2,0,0]=4 1651 B10R1.4 CC=Cc1cccnc1C 271570a_100016259895_100000751574 [1,1,0,0,0,0|2,0,0]=4 1652 B10R1.4 CC=Cc1cccnc1Cl 271570a_100016259895_100000036424 [1,1,0,0,0,0|2,0,0]=4 1653 B10R1.4 CC=Cc1cccnc1F 271570a_100016259895_100009816115 [1,1,0,0,0,0|2,0,0]=4 1654 B10R1.4 CC=Cc1cccnc1N 271570a_100016259895_100000045569 [1,1,0,0,0,0|2,0,0]=4 1655 B10R1.4 CC=Cc1ccncc1Br 271570a_100016259895_100000726257 [1,1,0,0,0,0|2,0,0]=4 1656 B10R1.4 CC=Cc1ccncc1C 271570a_100016259895_100015191297 [1,1,0,0,0,0|2,0,0]=4 1657 B10R1.4 CC=Cc1ccncc1Cl 271570a_100016259895_100000708259 [1,1,0,0,0,0|2,0,0]=4 1658 B10R1.4 CC=Cc1ccncc1F 271570a_100016259895_100000047030 [1,1,0,0,0,0|2,0,0]=4 1659 B10R1.4 CC=Cc1ccncc1N 271570a_100016259895_100009815883 [1,1,0,0,0,0|2,0,0]=4 1660 B10R1.4 CC=Cc1ccncc1O 271570a_100016259895_100009817591 [1,1,0,0,0,0|2,0,0]=4 1661 B10R1.4 CC=Cc1cnccc1Br 271570a_100016259895_100010138639 [1,1,0,0,0,0|2,0,0]=4 1662 B10R1.4 CC=Cc1cnccc1C 271570a_100016259895_100000761580 [1,1,0,0,0,0|2,0,0]=4 1663 B10R1.4 CC=Cc1cnccc1Cl 271570a_100016259895_100009995489 [1,1,0,0,0,0|2,0,0]=4 1664 B10R1.4 CC=Cc1cnccc1F 271570a_100016259895_100009820683 [1,1,0,0,0,0|2,0,0]=4 1665 B10R1.4 CC=Cc1cnccc1N 271570a_100016259895_100000047001 [1,1,0,0,0,0|2,0,0]=4 1666 B10R1.4 CC=Cc1ncccc1Br 271570a_100016259895_100000696092 [1,1,0,0,0,0|2,0,0]=4 1667 B10R1.4 CC=Cc1ncccc1C 271570a_100016259895_100000751373 [1,1,0,0,0,0|2,0,0]=4 1668 B10R1.4 CC=Cc1ncccc1Cl 271570a_100016259895_100011356963 [1,1,0,0,0,0|2,0,0]=4 1669 B10R1.4 CC=Cc1ncccc1F 271570a_100016259895_100000685392 [1,1,0,0,0,0|2,0,0]=4 1670 B10R1.4 CC=Cc1ncccc1N 271570a_100016259895_100000688686 [1,1,0,0,0,0|2,0,0]=4 1671 B10R1.4 CC=Cc1ncccc1O 271570a_100016259895_100000034122 [1,1,0,0,0,0|2,0,0]=4 1672 B10R1.4 CCNc1ccccc1Br 34a_100000210017_100000210202 [1,1,0,0,0,0|2,0,0]=4 1673 B10R1.4 CCNc1ccccc1C 34a_100015192222_100000210202 [1,1,0,0,0,0|2,0,0]=4 1674 B10R1.4 CCNc1ccccc1Cl 34a_100000185783_100000210202 [1,1,0,0,0,0|2,0,0]=4 1675 B10R1.4 CCNc1ccccc1F 34a_100000210422_100000210202 [1,1,0,0,0,0|2,0,0]=4 1676 B10R1.4 CCNc1ccccc1I 34a_100000210053_100000210202 [1,1,0,0,0,0|2,0,0]=4 1677 B10R1.4 CCNc1ccccc1O 271570a_203496583355_114873767003 [1,1,0,0,0,0|2,0,0]=4 1678 B10R1.4 CCNc1ccccc1O 34a_100000185747_100000210202 [1,1,0,0,0,0|2,0,0]=4 1679 B10R1.4 CCOc1ccccc1Br 34a_100000181306_100000210202 [1,1,0,0,0,0|2,0,0]=4 1680 B10R1.4 CCOc1ccccc1Br 7a_100000181306_100000210202 [1,1,0,0,0,0|2,0,0]=4 1681 B10R1.4 CCOc1ccccc1C 34a_100000210338_100000210202 [1,1,0,0,0,0|2,0,0]=4 1682 B10R1.4 CCOc1ccccc1C 7a_100000210338_100000210202 [1,1,0,0,0,0|2,0,0]=4 1683 B10R1.4 CCOc1ccccc1Cl 34a_100000210172_100000210202 [1,1,0,0,0,0|2,0,0]=4 1684 B10R1.4 CCOc1ccccc1Cl 7a_100000210172_100000210202 [1,1,0,0,0,0|2,0,0]=4 1685 B10R1.4 CCOc1ccccc1F 34a_100000210171_100000210202 [1,1,0,0,0,0|2,0,0]=4 1686 B10R1.4 CCOc1ccccc1F 7a_100000210171_100000210202 [1,1,0,0,0,0|2,0,0]=4 1687 B10R1.4 CCOc1ccccc1I 34a_100000739446_100000210202 [1,1,0,0,0,0|2,0,0]=4 1688 B10R1.4 CCOc1ccccc1I 7a_100000739446_100000210202 [1,1,0,0,0,0|2,0,0]=4 1689 B10R1.4 CCOc1ccccc1N 34a_100000185747_100000210202 [1,1,0,0,0,0|2,0,0]=4 1690 B10R1.4 CCOc1ccccc1N 7a_100000185747_100000210202 [1,1,0,0,0,0|2,0,0]=4 1691 B10R1.4 CCOc1ccccc1O 271570a_203496583355_100000230754 [1,1,0,0,0,0|2,0,0]=4 1692 B10R1.4 CCSc1ccccc1Br 62a_100000210202_100000695589 [1,1,0,0,0,0|2,0,0]=4 1693 B10R1.4 CCSc1ccccc1Br 62a_100000695589_100000210202 [1,1,0,0,0,0|2,0,0]=4 1694 B10R1.4 CCSc1ccccc1C 62a_100000210202_100000210755 [1,1,0,0,0,0|2,0,0]=4 1695 B10R1.4 CCSc1ccccc1C 62a_100000210755_100000210202 [1,1,0,0,0,0|2,0,0]=4 1696 B10R1.4 CCSc1ccccc1Cl 62a_100000210202_100000764095 [1,1,0,0,0,0|2,0,0]=4 1697 B10R1.4 CCSc1ccccc1Cl 62a_100000764095_100000210202 [1,1,0,0,0,0|2,0,0]=4 1698 B10R1.4 CCSc1ccccc1F 62a_100000210202_100011215700 [1,1,0,0,0,0|2,0,0]=4 1699 B10R1.4 CCSc1ccccc1F 62a_100011215700_100000210202 [1,1,0,0,0,0|2,0,0]=4 1700 B10R1.4 CCSc1ccccc1N 62a_100000210017_100000210202 [1,1,0,0,0,0|2,0,0]=4 1701 B10R1.4 CCSc1ccccc1N 62a_100000210202_100000210017 [1,1,0,0,0,0|2,0,0]=4 1702 B10R1.4 CCSc1ccccc1O 271570a_203496583355_100000230856 [1,1,0,0,0,0|2,0,0]=4 1703 B10R1.4 CCSc1ccccc1O 62a_100000210202_100000739446 [1,1,0,0,0,0|2,0,0]=4 1704 B10R1.4 CCSc1ccccc1O 62a_100000739446_100000210202 [1,1,0,0,0,0|2,0,0]=4 1705 B10R1.4 CNCc1ccccc1Br 207a_100102657272_100000211189 [1,1,0,0,0,0|0,0,1]=3 1706 B10R1.4 CNCc1ccccc1Br 2230a_100000689332_200000210301 [1,1,0,0,0,0|0,0,1]=3 1707 B10R1.4 CNCc1ccccc1Br 2230a_106832991635_100000184730 [1,1,0,0,0,0|0,0,1]=3 1708 B10R1.4 CNCc1ccccc1Br 26a_100102657272_100000181306 [1,1,0,0,0,0|0,0,1]=3 1709 B10R1.4 CNCc1ccccc1Br 270004a_106832991635_100000211189 [1,1,0,0,0,0|0,0,1]=3 1710 B10R1.4 CNCc1ccccc1Br 34a_100000689332_200000210301 [1,1,0,0,0,0|0,0,1]=3 1711 B10R1.4 CNCc1ccccc1Br 34a_100102657272_100000184730 [1,1,0,0,0,0|0,0,1]=3 1712 B10R1.4 CNCc1ccccc1Br 7a_106832991635_100000184730 [1,1,0,0,0,0|0,0,1]=3 1713 B10R1.4 CNCc1ccccc1C 207a_100102657272_100000211143 [1,1,0,0,0,0|0,0,1]=3 1714 B10R1.4 CNCc1ccccc1C 2230a_106832991635_100000211839 [1,1,0,0,0,0|0,0,1]=3 1715 B10R1.4 CNCc1ccccc1C 270004a_106832991635_100000211143 [1,1,0,0,0,0|0,0,1]=3 1716 B10R1.4 CNCc1ccccc1C 34a_100000174972_200000210301 [1,1,0,0,0,0|0,0,1]=3 1717 B10R1.4 CNCc1ccccc1C 34a_100102657272_100000211839 [1,1,0,0,0,0|0,0,1]=3 1718 B10R1.4 CNCc1ccccc1C 7a_106832991635_100000211839 [1,1,0,0,0,0|0,0,1]=3 1719 B10R1.4 CNCc1ccccc1Cl 207a_100102657272_100000210073 [1,1,0,0,0,0|0,0,1]=3 1720 B10R1.4 CNCc1ccccc1Cl 2230a_100000174879_200000210301 [1,1,0,0,0,0|0,0,1]=3 1721 B10R1.4 CNCc1ccccc1Cl 2230a_106832991635_100000187162 [1,1,0,0,0,0|0,0,1]=3 1722 B10R1.4 CNCc1ccccc1Cl 26a_100102657272_100000210172 [1,1,0,0,0,0|0,0,1]=3 1723 B10R1.4 CNCc1ccccc1Cl 270004a_106832991635_100000210073 [1,1,0,0,0,0|0,0,1]=3 1724 B10R1.4 CNCc1ccccc1Cl 34a_100000174879_200000210301 [1,1,0,0,0,0|0,0,1]=3 1725 B10R1.4 CNCc1ccccc1Cl 34a_100102657272_100000187162 [1,1,0,0,0,0|0,0,1]=3 1726 B10R1.4 CNCc1ccccc1Cl 7a_106832991635_100000187162 [1,1,0,0,0,0|0,0,1]=3 1727 B10R1.4 CNCc1ccccc1F 207a_100102657272_100000210811 [1,1,0,0,0,0|0,0,1]=3 1728 B10R1.4 CNCc1ccccc1F 2230a_106832991635_100000211605 [1,1,0,0,0,0|0,0,1]=3 1729 B10R1.4 CNCc1ccccc1F 270004a_106832991635_100000210811 [1,1,0,0,0,0|0,0,1]=3 1730 B10R1.4 CNCc1ccccc1F 34a_100000174869_200000210301 [1,1,0,0,0,0|0,0,1]=3 1731 B10R1.4 CNCc1ccccc1F 34a_100102657272_100000211605 [1,1,0,0,0,0|0,0,1]=3 1732 B10R1.4 CNCc1ccccc1F 7a_106832991635_100000211605 [1,1,0,0,0,0|0,0,1]=3 1733 B10R1.4 CNCc1ccccc1I 207a_100102657272_100000010305 [1,1,0,0,0,0|0,0,1]=3 1734 B10R1.4 CNCc1ccccc1I 2230a_106832991635_100011215278 [1,1,0,0,0,0|0,0,1]=3 1735 B10R1.4 CNCc1ccccc1I 270004a_106832991635_100000010305 [1,1,0,0,0,0|0,0,1]=3 1736 B10R1.4 CNCc1ccccc1I 34a_100102657272_100011215278 [1,1,0,0,0,0|0,0,1]=3 1737 B10R1.4 CNCc1ccccc1I 7a_106832991635_100011215278 [1,1,0,0,0,0|0,0,1]=3 1738 B10R1.4 CNCc1ccccc1O 271570a_203496583355_100000184654 [1,1,0,0,0,0|0,0,1]=3 1739 B10R1.4 CNCc1ccccc1O 34a_100000185550_200000210301 [1,1,0,0,0,0|0,0,1]=3 1740 B10R1.4 CNCc1cccnc1Br 2230a_100009818023_200000210301 [1,1,0,0,0,0|1,0,1]=4 1741 B10R1.4 CNCc1cccnc1Br 2230a_106832991635_100010140945 [1,1,0,0,0,0|1,0,1]=4 1742 B10R1.4 CNCc1cccnc1Br 34a_100009818023_200000210301 [1,1,0,0,0,0|1,0,1]=4 1743 B10R1.4 CNCc1cccnc1Br 34a_100102657272_100010140945 [1,1,0,0,0,0|1,0,1]=4 1744 B10R1.4 CNCc1cccnc1Br 7a_106832991635_100010140945 [1,1,0,0,0,0|1,0,1]=4 1745 B10R1.4 CNCc1cccnc1C 207a_100102657272_100000751968 [1,1,0,0,0,0|1,0,1]=4 1746 B10R1.4 CNCc1cccnc1C 2230a_106832991635_100000732876 [1,1,0,0,0,0|1,0,1]=4 1747 B10R1.4 CNCc1cccnc1C 270004a_106832991635_100000751968 [1,1,0,0,0,0|1,0,1]=4 1748 B10R1.4 CNCc1cccnc1C 34a_100102657272_100000732876 [1,1,0,0,0,0|1,0,1]=4 1749 B10R1.4 CNCc1cccnc1C 7a_106832991635_100000732876 [1,1,0,0,0,0|1,0,1]=4 1750 B10R1.4 CNCc1cccnc1Cl 2230a_100015189234_200000210301 [1,1,0,0,0,0|1,0,1]=4 1751 B10R1.4 CNCc1cccnc1Cl 2230a_106832991635_100000045678 [1,1,0,0,0,0|1,0,1]=4 1752 B10R1.4 CNCc1cccnc1Cl 34a_100015189234_200000210301 [1,1,0,0,0,0|1,0,1]=4 1753 B10R1.4 CNCc1cccnc1Cl 34a_100102657272_100000045678 [1,1,0,0,0,0|1,0,1]=4 1754 B10R1.4 CNCc1cccnc1Cl 7a_106832991635_100000045678 [1,1,0,0,0,0|1,0,1]=4 1755 B10R1.4 CNCc1cccnc1F 2230a_106832991635_100000099810 [1,1,0,0,0,0|1,0,1]=4 1756 B10R1.4 CNCc1cccnc1F 34a_100000724633_200000210301 [1,1,0,0,0,0|1,0,1]=4 1757 B10R1.4 CNCc1cccnc1F 34a_100102657272_100000099810 [1,1,0,0,0,0|1,0,1]=4 1758 B10R1.4 CNCc1cccnc1F 7a_106832991635_100000099810 [1,1,0,0,0,0|1,0,1]=4 1759 B10R1.4 CNCc1cccnc1O 207a_100102657272_100011998315 [1,1,0,0,0,0|1,0,1]=4 1760 B10R1.4 CNCc1cccnc1O 270004a_106832991635_100011998315 [1,1,0,0,0,0|1,0,1]=4 1761 B10R1.4 CNCc1cccnc1O 271570a_203496583355_103496529121 [1,1,0,0,0,0|1,0,1]=4 1762 B10R1.4 CNCc1ccncc1Br 270004a_106832991635_100000755692 [1,1,0,0,0,0|1,0,1]=4 1763 B10R1.4 CNCc1ccncc1C 2230a_106832991635_100020672808 [1,1,0,0,0,0|1,0,1]=4 1764 B10R1.4 CNCc1ccncc1C 34a_100102657272_100020672809 [1,1,0,0,0,0|1,0,1]=4 1765 B10R1.4 CNCc1ccncc1C 7a_106832991635_100020672808 [1,1,0,0,0,0|1,0,1]=4 1766 B10R1.4 CNCc1ccncc1Cl 207a_100102657272_100011934409 [1,1,0,0,0,0|1,0,1]=4 1767 B10R1.4 CNCc1ccncc1Cl 2230a_106832991635_100000763264 [1,1,0,0,0,0|1,0,1]=4 1768 B10R1.4 CNCc1ccncc1Cl 270004a_106832991635_100011934409 [1,1,0,0,0,0|1,0,1]=4 1769 B10R1.4 CNCc1ccncc1Cl 7a_106832991635_100000763264 [1,1,0,0,0,0|1,0,1]=4 1770 B10R1.4 CNCc1ccncc1F 34a_100011935246_200000210301 [1,1,0,0,0,0|1,0,1]=4 1771 B10R1.4 CNCc1cnccc1Br 270004a_106832991635_100009816821 [1,1,0,0,0,0|1,0,1]=4 1772 B10R1.4 CNCc1cnccc1C 207a_100102657272_100000685662 [1,1,0,0,0,0|1,0,1]=4 1773 B10R1.4 CNCc1cnccc1C 2230a_106832991635_100000690890 [1,1,0,0,0,0|1,0,1]=4 1774 B10R1.4 CNCc1cnccc1C 270004a_106832991635_100000685662 [1,1,0,0,0,0|1,0,1]=4 1775 B10R1.4 CNCc1cnccc1C 34a_100102657272_100000690890 [1,1,0,0,0,0|1,0,1]=4 1776 B10R1.4 CNCc1cnccc1C 7a_106832991635_100000690890 [1,1,0,0,0,0|1,0,1]=4 1777 B10R1.4 CNCc1cnccc1Cl 270004a_106832991635_100000050567 [1,1,0,0,0,0|1,0,1]=4 1778 B10R1.4 CNCc1ncccc1Br 207a_100102657272_100011934733 [1,1,0,0,0,0|1,0,1]=4 1779 B10R1.4 CNCc1ncccc1Br 2230a_106832991635_100025702911 [1,1,0,0,0,0|1,0,1]=4 1780 B10R1.4 CNCc1ncccc1Br 270004a_106832991635_100011934733 [1,1,0,0,0,0|1,0,1]=4 1781 B10R1.4 CNCc1ncccc1Br 34a_100102657272_100025702911 [1,1,0,0,0,0|1,0,1]=4 1782 B10R1.4 CNCc1ncccc1Br 7a_106832991635_100025702911 [1,1,0,0,0,0|1,0,1]=4 1783 B10R1.4 CNCc1ncccc1C 207a_100102657272_100000698913 [1,1,0,0,0,0|1,0,1]=4 1784 B10R1.4 CNCc1ncccc1C 2230a_106832991635_100000696600 [1,1,0,0,0,0|1,0,1]=4 1785 B10R1.4 CNCc1ncccc1C 270004a_106832991635_100000698913 [1,1,0,0,0,0|1,0,1]=4 1786 B10R1.4 CNCc1ncccc1C 34a_100011223789_200000210301 [1,1,0,0,0,0|1,0,1]=4 1787 B10R1.4 CNCc1ncccc1C 34a_100102657272_100000696600 [1,1,0,0,0,0|1,0,1]=4 1788 B10R1.4 CNCc1ncccc1C 7a_106832991635_100000696600 [1,1,0,0,0,0|1,0,1]=4 1789 B10R1.4 CNCc1ncccc1Cl 207a_100102657272_100012001307 [1,1,0,0,0,0|1,0,1]=4 1790 B10R1.4 CNCc1ncccc1Cl 2230a_100015189233_200000210301 [1,1,0,0,0,0|1,0,1]=4 1791 B10R1.4 CNCc1ncccc1Cl 2230a_106832991635_100000099807 [1,1,0,0,0,0|1,0,1]=4 1792 B10R1.4 CNCc1ncccc1Cl 270004a_106832991635_100012001307 [1,1,0,0,0,0|1,0,1]=4 1793 B10R1.4 CNCc1ncccc1Cl 7a_106832991635_100000099807 [1,1,0,0,0,0|1,0,1]=4 1794 B10R1.4 CNCc1ncccc1F 207a_100102657272_100011934734 [1,1,0,0,0,0|1,0,1]=4 1795 B10R1.4 CNCc1ncccc1F 2230a_106832991635_100000104219 [1,1,0,0,0,0|1,0,1]=4 1796 B10R1.4 CNCc1ncccc1F 270004a_106832991635_100011934734 [1,1,0,0,0,0|1,0,1]=4 1797 B10R1.4 CNCc1ncccc1F 34a_100000690088_200000210301 [1,1,0,0,0,0|1,0,1]=4 1798 B10R1.4 CNCc1ncccc1F 34a_100102657272_100000104219 [1,1,0,0,0,0|1,0,1]=4 1799 B10R1.4 CNCc1ncccc1F 7a_106832991635_100000104219 [1,1,0,0,0,0|1,0,1]=4 1800 B10R1.4 CNCc1ncccc1O 34a_100102657272_200020655725 [1,1,0,0,0,0|1,0,1]=4 1801 B10R1.4 CNCc1ncccc1O 7a_106832991635_200020655725 [1,1,0,0,0,0|1,0,1]=4 1802 B10R1.4 COCc1ccccc1Br 34a_100000756307_200000210301 [1,1,0,0,0,0|1,0,1]=4 1803 B10R1.4 COCc1ccccc1Br 34a_100138415774_100000184730 [1,1,0,0,0,0|1,0,1]=4 1804 B10R1.4 COCc1ccccc1Br 7a_100000756307_200000210301 [1,1,0,0,0,0|1,0,1]=4 1805 B10R1.4 COCc1ccccc1C 34a_100000698903_200000210301 [1,1,0,0,0,0|1,0,1]=4 1806 B10R1.4 COCc1ccccc1C 34a_100138415774_100000211839 [1,1,0,0,0,0|1,0,1]=4 1807 B10R1.4 COCc1ccccc1C 7a_100000698903_200000210301 [1,1,0,0,0,0|1,0,1]=4 1808 B10R1.4 COCc1ccccc1Cl 34a_100000210847_200000210301 [1,1,0,0,0,0|1,0,1]=4 1809 B10R1.4 COCc1ccccc1Cl 34a_100138415774_100000187162 [1,1,0,0,0,0|1,0,1]=4 1810 B10R1.4 COCc1ccccc1Cl 7a_100000210847_200000210301 [1,1,0,0,0,0|1,0,1]=4 1811 B10R1.4 COCc1ccccc1F 34a_100000211962_200000210301 [1,1,0,0,0,0|1,0,1]=4 1812 B10R1.4 COCc1ccccc1F 34a_100138415774_100000211605 [1,1,0,0,0,0|1,0,1]=4 1813 B10R1.4 COCc1ccccc1F 7a_100000211962_200000210301 [1,1,0,0,0,0|1,0,1]=4 1814 B10R1.4 COCc1ccccc1I 34a_100000187465_200000210301 [1,1,0,0,0,0|1,0,1]=4 1815 B10R1.4 COCc1ccccc1I 34a_100138415774_100011215278 [1,1,0,0,0,0|1,0,1]=4 1816 B10R1.4 COCc1ccccc1I 7a_100000187465_200000210301 [1,1,0,0,0,0|1,0,1]=4 1817 B10R1.4 COCc1ccccc1N 34a_100000212039_200000210301 [1,1,0,0,0,0|1,0,1]=4 1818 B10R1.4 COCc1ccccc1O 271570a_203496583355_100011493684 [1,1,0,0,0,0|1,0,1]=4 1819 B10R1.4 CSCc1ccccc1Br 62a_100000184730_200000210301 [1,1,0,0,0,0|1,0,1]=4 1820 B10R1.4 CSCc1ccccc1Br 62a_200000210301_100000184730 [1,1,0,0,0,0|1,0,1]=4 1821 B10R1.4 CSCc1ccccc1C 62a_100000211839_200000210301 [1,1,0,0,0,0|1,0,1]=4 1822 B10R1.4 CSCc1ccccc1C 62a_200000210301_100000211839 [1,1,0,0,0,0|1,0,1]=4 1823 B10R1.4 CSCc1ccccc1Cl 62a_100000187162_200000210301 [1,1,0,0,0,0|1,0,1]=4 1824 B10R1.4 CSCc1ccccc1Cl 62a_200000210301_100000187162 [1,1,0,0,0,0|1,0,1]=4 1825 B10R1.4 CSCc1ccccc1F 62a_100000211605_200000210301 [1,1,0,0,0,0|1,0,1]=4 1826 B10R1.4 CSCc1ccccc1F 62a_200000210301_100000211605 [1,1,0,0,0,0|1,0,1]=4 1827 B10R1.4 CSCc1ccccc1I 62a_100011216222_200000210301 [1,1,0,0,0,0|1,0,1]=4 1828 B10R1.4 CSCc1ccccc1I 62a_200000210301_100011216222 [1,1,0,0,0,0|1,0,1]=4 1829 B10R1.4 CSCc1ccccc1O 271570a_203496583355_100000148299 [1,1,0,0,0,0|1,0,1]=4 1830 B10R1.4 Cc1ccccc1CN[13CH3] 34a_100000174972_200025704644 [1,1,0,0,0,0|0,0,1]=3 1831 B10R1.4 Cc1ccccc1CO[13CH3] 34a_100000698903_200025704644 [1,1,0,0,0,0|1,0,1]=4 1832 B10R1.4 Cc1ccccc1CO[13CH3] 7a_100000698903_200025704644 [1,1,0,0,0,0|1,0,1]=4 1833 B10R1.4 Cc1ccccc1CS[13CH3] 62a_100000211839_200025704644 [1,1,0,0,0,0|1,0,1]=4 1834 B10R1.4 Cc1ccccc1CS[13CH3] 62a_200025704644_100000211839 [1,1,0,0,0,0|1,0,1]=4 1835 B10R1.4 Cc1cccnc1CN[13CH3] 34a_100011223789_200025704644 [1,1,0,0,0,0|1,0,1]=4 1836 B10R1.4 NNCc1ccccc1O 271570a_203496583355_200016993956 [1,1,0,0,0,0|1,0,1]=4 1837 B10R1.4 [13CH3]NCc1ccccc1Br 2230a_100000689332_200025704644 [1,1,0,0,0,0|0,0,1]=3 1838 B10R1.4 [13CH3]NCc1ccccc1Br 34a_100000689332_200025704644 [1,1,0,0,0,0|0,0,1]=3 1839 B10R1.4 [13CH3]NCc1ccccc1Cl 2230a_100000174879_200025704644 [1,1,0,0,0,0|0,0,1]=3 1840 B10R1.4 [13CH3]NCc1ccccc1Cl 34a_100000174879_200025704644 [1,1,0,0,0,0|0,0,1]=3 1841 B10R1.4 [13CH3]NCc1ccccc1F 34a_100000174869_200025704644 [1,1,0,0,0,0|0,0,1]=3 1842 B10R1.4 [13CH3]NCc1ccccc1O 34a_100000185550_200025704644 [1,1,0,0,0,0|0,0,1]=3 1843 B10R1.4 [13CH3]NCc1cccnc1Br 2230a_100009818023_200025704644 [1,1,0,0,0,0|1,0,1]=4 1844 B10R1.4 [13CH3]NCc1cccnc1Br 34a_100009818023_200025704644 [1,1,0,0,0,0|1,0,1]=4 1845 B10R1.4 [13CH3]NCc1cccnc1Cl 2230a_100015189234_200025704644 [1,1,0,0,0,0|1,0,1]=4 1846 B10R1.4 [13CH3]NCc1cccnc1Cl 34a_100015189234_200025704644 [1,1,0,0,0,0|1,0,1]=4 1847 B10R1.4 [13CH3]NCc1cccnc1F 34a_100000724633_200025704644 [1,1,0,0,0,0|1,0,1]=4 1848 B10R1.4 [13CH3]NCc1ccncc1F 34a_100011935246_200025704644 [1,1,0,0,0,0|1,0,1]=4 1849 B10R1.4 [13CH3]NCc1ncccc1Cl 2230a_100015189233_200025704644 [1,1,0,0,0,0|1,0,1]=4 1850 B10R1.4 [13CH3]NCc1ncccc1F 34a_100000690088_200025704644 [1,1,0,0,0,0|1,0,1]=4 1851 B10R1.4 [13CH3]OCc1ccccc1Br 34a_100000756307_200025704644 [1,1,0,0,0,0|1,0,1]=4 1852 B10R1.4 [13CH3]OCc1ccccc1Br 7a_100000756307_200025704644 [1,1,0,0,0,0|1,0,1]=4 1853 B10R1.4 [13CH3]OCc1ccccc1Cl 34a_100000210847_200025704644 [1,1,0,0,0,0|1,0,1]=4 1854 B10R1.4 [13CH3]OCc1ccccc1Cl 7a_100000210847_200025704644 [1,1,0,0,0,0|1,0,1]=4 1855 B10R1.4 [13CH3]OCc1ccccc1F 34a_100000211962_200025704644 [1,1,0,0,0,0|1,0,1]=4 1856 B10R1.4 [13CH3]OCc1ccccc1F 7a_100000211962_200025704644 [1,1,0,0,0,0|1,0,1]=4 1857 B10R1.4 [13CH3]OCc1ccccc1I 34a_100000187465_200025704644 [1,1,0,0,0,0|1,0,1]=4 1858 B10R1.4 [13CH3]OCc1ccccc1I 7a_100000187465_200025704644 [1,1,0,0,0,0|1,0,1]=4 1859 B10R1.4 [13CH3]OCc1ccccc1N 34a_100000212039_200025704644 [1,1,0,0,0,0|1,0,1]=4 1860 B10R1.4 [13CH3]SCc1ccccc1Br 62a_100000184730_200025704644 [1,1,0,0,0,0|1,0,1]=4 1861 B10R1.4 [13CH3]SCc1ccccc1Br 62a_200025704644_100000184730 [1,1,0,0,0,0|1,0,1]=4 1862 B10R1.4 [13CH3]SCc1ccccc1Cl 62a_100000187162_200025704644 [1,1,0,0,0,0|1,0,1]=4 1863 B10R1.4 [13CH3]SCc1ccccc1Cl 62a_200025704644_100000187162 [1,1,0,0,0,0|1,0,1]=4 1864 B10R1.4 [13CH3]SCc1ccccc1F 62a_100000211605_200025704644 [1,1,0,0,0,0|1,0,1]=4 1865 B10R1.4 [13CH3]SCc1ccccc1F 62a_200025704644_100000211605 [1,1,0,0,0,0|1,0,1]=4 1866 B10R1.4 [13CH3]SCc1ccccc1I 62a_100011216222_200025704644 [1,1,0,0,0,0|1,0,1]=4 1867 B10R1.4 [13CH3]SCc1ccccc1I 62a_200025704644_100011216222 [1,1,0,0,0,0|1,0,1]=4 1868 B10R1.10 C=C=Cc1cccc(c1)Br 271570a_100015277604_100000691529 [1,1,0,0,0,0|1,0,1]=4 1869 B10R1.10 C=C=Cc1cccc(c1)C 271570a_100015277604_100011215228 [1,1,0,0,0,0|1,0,1]=4 1870 B10R1.10 C=C=Cc1cccc(c1)Cl 271570a_100015277604_100000699651 [1,1,0,0,0,0|1,0,1]=4 1871 B10R1.10 C=C=Cc1cccc(c1)F 271570a_100015277604_100000685547 [1,1,0,0,0,0|1,0,1]=4 1872 B10R1.10 C=C=Cc1cccc(c1)N 271570a_100015277604_100000210019 [1,1,0,0,0,0|1,0,1]=4 1873 B10R1.10 C=C=Cc1cccc(c1)O 271570a_100015277604_100000211634 [1,1,0,0,0,0|1,0,1]=4 1874 B10R1.10 C=C=Cc1cccc(c1)[S] 271570a_100015277604_114929384022 [1,1,0,0,0,0|1,0,1]=4 1875 B10R1.10 CC#Cc1cccc(c1)O 271570a_203496583355_200009843338 [1,1,0,0,0,0|1,0,1]=4 1876 B10R1.10 CC=Cc1cc(ccn1)C 271570a_100016259895_100000750283 [1,1,0,0,0,0|2,0,0]=4 1877 B10R1.10 CC=Cc1cc(ccn1)Cl 271570a_100016259895_100010167805 [1,1,0,0,0,0|2,0,0]=4 1878 B10R1.10 CC=Cc1cc(ccn1)F 271570a_100016259895_100009817058 [1,1,0,0,0,0|2,0,0]=4 1879 B10R1.10 CC=Cc1cc(ccn1)N 271570a_100016259895_100009814236 [1,1,0,0,0,0|2,0,0]=4 1880 B10R1.10 CC=Cc1cc(ccn1)O 271570a_100016259895_100000762945 [1,1,0,0,0,0|2,0,0]=4 1881 B10R1.10 CC=Cc1cc[nH]c(=O)c1 271570a_100016259895_100009816521 [1,1,0,0,0,0|2,0,0]=4 1882 B10R1.10 CC=Cc1ccc[n+](c1)C 271570a_100016259895_100009996589 [1,1,0,0,0,0|2,0,0]=4 1883 B10R1.10 CC=Cc1ccc[n+](c1)[O-] 271570a_100016259895_100009815978 [1,1,0,0,0,0|2,0,0]=4 1884 B10R1.10 CC=Cc1cccc(=O)[nH]1 271570a_100016259895_100000761760 [1,1,0,0,0,0|2,0,0]=4 1885 B10R1.10 CC=Cc1cccc(c1)Br 271570a_100016259895_100000691529 [1,1,0,0,0,0|1,0,0]=3 1886 B10R1.10 CC=Cc1cccc(c1)C 271570a_100016259895_100011215228 [1,1,0,0,0,0|1,0,0]=3 1887 B10R1.10 CC=Cc1cccc(c1)Cl 271570a_100016259895_100000699651 [1,1,0,0,0,0|1,0,0]=3 1888 B10R1.10 CC=Cc1cccc(c1)F 271570a_100016259895_100000685547 [1,1,0,0,0,0|1,0,0]=3 1889 B10R1.10 CC=Cc1cccc(c1)N 271570a_100016259895_100000210019 [1,1,0,0,0,0|1,0,0]=3 1890 B10R1.10 CC=Cc1cccc(c1)O 271570a_100016259895_100000211634 [1,1,0,0,0,0|1,0,0]=3 1891 B10R1.10 CC=Cc1cccc(c1)[S] 271570a_100016259895_114929384022 [1,1,0,0,0,0|1,0,0]=3 1892 B10R1.10 CC=Cc1cccc(n1)Br 271570a_100016259895_100000684672 [1,1,0,0,0,0|2,0,0]=4 1893 B10R1.10 CC=Cc1cccc(n1)C 271570a_100016259895_100000742759 [1,1,0,0,0,0|2,0,0]=4 1894 B10R1.10 CC=Cc1cccc(n1)F 271570a_100016259895_100009815982 [1,1,0,0,0,0|2,0,0]=4 1895 B10R1.10 CC=Cc1cccc(n1)N 271570a_100016259895_100000740741 [1,1,0,0,0,0|2,0,0]=4 1896 B10R1.10 CC=Cc1ccnc(c1)Br 271570a_100016259895_100009814637 [1,1,0,0,0,0|2,0,0]=4 1897 B10R1.10 CC=Cc1ccnc(c1)C 271570a_100016259895_100000758586 [1,1,0,0,0,0|2,0,0]=4 1898 B10R1.10 CC=Cc1ccnc(c1)Cl 271570a_100016259895_100000035001 [1,1,0,0,0,0|2,0,0]=4 1899 B10R1.10 CC=Cc1ccnc(c1)F 271570a_100016259895_100009816116 [1,1,0,0,0,0|2,0,0]=4 1900 B10R1.10 CC=Cc1ccnc(c1)N 271570a_100016259895_100000744379 [1,1,0,0,0,0|2,0,0]=4 1901 B10R1.10 CC=Cc1cncc(c1)Br 271570a_100016259895_100000728054 [1,1,0,0,0,0|2,0,0]=4 1902 B10R1.10 CC=Cc1cncc(c1)C 271570a_100016259895_100000760492 [1,1,0,0,0,0|2,0,0]=4 1903 B10R1.10 CC=Cc1cncc(c1)Cl 271570a_100016259895_100000049639 [1,1,0,0,0,0|2,0,0]=4 1904 B10R1.10 CC=Cc1cncc(c1)F 271570a_100016259895_100000744099 [1,1,0,0,0,0|2,0,0]=4 1905 B10R1.10 CC=Cc1cncc(c1)N 271570a_100016259895_100000687067 [1,1,0,0,0,0|2,0,0]=4 1906 B10R1.10 CC=Cc1cncc(c1)O 271570a_100016259895_100000754920 [1,1,0,0,0,0|2,0,0]=4 1907 B10R1.10 CCCc1cccc(c1)O 271570a_203496583355_100000694964 [1,1,0,0,0,0|1,0,1]=4 1908 B10R1.10 CCNc1cccc(c1)Br 34a_100000210019_100000210202 [1,1,0,0,0,0|2,0,0]=4 1909 B10R1.10 CCNc1cccc(c1)C 2230a_100000188690_100000210202 [1,1,0,0,0,0|2,0,0]=4 1910 B10R1.10 CCNc1cccc(c1)C 34a_100000188690_100000210202 [1,1,0,0,0,0|2,0,0]=4 1911 B10R1.10 CCNc1cccc(c1)Cl 34a_100000185859_100000210202 [1,1,0,0,0,0|2,0,0]=4 1912 B10R1.10 CCNc1cccc(c1)F 34a_100000210047_100000210202 [1,1,0,0,0,0|2,0,0]=4 1913 B10R1.10 CCNc1cccc(c1)I 34a_100000211102_100000210202 [1,1,0,0,0,0|2,0,0]=4 1914 B10R1.10 CCNc1cccc(c1)O 271570a_203496583355_100000738899 [1,1,0,0,0,0|2,0,0]=4 1915 B10R1.10 CCNc1cccc(c1)O 34a_100000210217_100000210202 [1,1,0,0,0,0|2,0,0]=4 1916 B10R1.10 CCOc1cccc(c1)Br 34a_100000210342_100000210202 [1,1,0,0,0,0|2,0,0]=4 1917 B10R1.10 CCOc1cccc(c1)Br 7a_100000210342_100000210202 [1,1,0,0,0,0|2,0,0]=4 1918 B10R1.10 CCOc1cccc(c1)C 34a_100000210337_100000210202 [1,1,0,0,0,0|2,0,0]=4 1919 B10R1.10 CCOc1cccc(c1)C 7a_100000210337_100000210202 [1,1,0,0,0,0|2,0,0]=4 1920 B10R1.10 CCOc1cccc(c1)Cl 34a_100000210295_100000210202 [1,1,0,0,0,0|2,0,0]=4 1921 B10R1.10 CCOc1cccc(c1)Cl 7a_100000210295_100000210202 [1,1,0,0,0,0|2,0,0]=4 1922 B10R1.10 CCOc1cccc(c1)F 34a_100000210426_100000210202 [1,1,0,0,0,0|2,0,0]=4 1923 B10R1.10 CCOc1cccc(c1)F 7a_100000210426_100000210202 [1,1,0,0,0,0|2,0,0]=4 1924 B10R1.10 CCOc1cccc(c1)I 34a_100000211634_100000210202 [1,1,0,0,0,0|2,0,0]=4 1925 B10R1.10 CCOc1cccc(c1)I 7a_100000211634_100000210202 [1,1,0,0,0,0|2,0,0]=4 1926 B10R1.10 CCOc1cccc(c1)N 34a_100000210217_100000210202 [1,1,0,0,0,0|2,0,0]=4 1927 B10R1.10 CCOc1cccc(c1)O 271570a_203496583355_100000170002 [1,1,0,0,0,0|2,0,0]=4 1928 B10R1.10 CCSc1cccc(c1)Br 62a_100000210202_100000691529 [1,1,0,0,0,0|2,0,0]=4 1929 B10R1.10 CCSc1cccc(c1)Br 62a_100000691529_100000210202 [1,1,0,0,0,0|2,0,0]=4 1930 B10R1.10 CCSc1cccc(c1)C 62a_100000210202_100011215228 [1,1,0,0,0,0|2,0,0]=4 1931 B10R1.10 CCSc1cccc(c1)C 62a_100011215228_100000210202 [1,1,0,0,0,0|2,0,0]=4 1932 B10R1.10 CCSc1cccc(c1)Cl 62a_100000210202_100000699651 [1,1,0,0,0,0|2,0,0]=4 1933 B10R1.10 CCSc1cccc(c1)Cl 62a_100000699651_100000210202 [1,1,0,0,0,0|2,0,0]=4 1934 B10R1.10 CCSc1cccc(c1)F 62a_100000210202_100000685547 [1,1,0,0,0,0|2,0,0]=4 1935 B10R1.10 CCSc1cccc(c1)F 62a_100000685547_100000210202 [1,1,0,0,0,0|2,0,0]=4 1936 B10R1.10 CCSc1cccc(c1)N 62a_100000210019_100000210202 [1,1,0,0,0,0|2,0,0]=4 1937 B10R1.10 CCSc1cccc(c1)N 62a_100000210202_100000210019 [1,1,0,0,0,0|2,0,0]=4 1938 B10R1.10 CCSc1cccc(c1)O 271570a_203496583355_100000703699 [1,1,0,0,0,0|2,0,0]=4 1939 B10R1.10 CCSc1cccc(c1)O 62a_100000210202_100000211634 [1,1,0,0,0,0|2,0,0]=4 1940 B10R1.10 CCSc1cccc(c1)[S] 62a_100000210202_114929384022 [1,1,0,0,0,0|2,0,0]=4 1941 B10R1.10 CCSc1cccc(c1)[S] 62a_114929384022_100000210202 [1,1,0,0,0,0|2,0,0]=4 1942 B10R1.10 CNCc1cc(ccn1)Br 2230a_106832991635_100010173614 [1,1,0,0,0,0|1,0,1]=4 1943 B10R1.10 CNCc1cc(ccn1)Br 270004a_106832991635_100009818557 [1,1,0,0,0,0|1,0,1]=4 1944 B10R1.10 CNCc1cc(ccn1)Br 34a_100102657272_100010173614 [1,1,0,0,0,0|1,0,1]=4 1945 B10R1.10 CNCc1cc(ccn1)Br 7a_106832991635_100010173614 [1,1,0,0,0,0|1,0,1]=4 1946 B10R1.10 CNCc1cc(ccn1)C 207a_100102657272_100011361488 [1,1,0,0,0,0|1,0,1]=4 1947 B10R1.10 CNCc1cc(ccn1)C 2230a_106832991635_100000718516 [1,1,0,0,0,0|1,0,1]=4 1948 B10R1.10 CNCc1cc(ccn1)C 270004a_106832991635_100011361488 [1,1,0,0,0,0|1,0,1]=4 1949 B10R1.10 CNCc1cc(ccn1)C 34a_100102657272_100000718516 [1,1,0,0,0,0|1,0,1]=4 1950 B10R1.10 CNCc1cc(ccn1)C 7a_106832991635_100000718516 [1,1,0,0,0,0|1,0,1]=4 1951 B10R1.10 CNCc1cc(ccn1)Cl 2230a_106832991635_100016988179 [1,1,0,0,0,0|1,0,1]=4 1952 B10R1.10 CNCc1cc(ccn1)Cl 270004a_106832991635_100011998288 [1,1,0,0,0,0|1,0,1]=4 1953 B10R1.10 CNCc1cc(ccn1)Cl 34a_100102657272_100016988179 [1,1,0,0,0,0|1,0,1]=4 1954 B10R1.10 CNCc1cc(ccn1)Cl 7a_106832991635_100016988179 [1,1,0,0,0,0|1,0,1]=4 1955 B10R1.10 CNCc1cc(ccn1)O 271570a_203496583355_100102954512 [1,1,0,0,0,0|1,0,1]=4 1956 B10R1.10 CNCc1cccc(=O)[nH]1 207a_100102657272_100011935257 [1,1,0,0,0,0|1,0,1]=4 1957 B10R1.10 CNCc1cccc(=O)[nH]1 2230a_100000696482_200000210301 [1,1,0,0,0,0|1,0,1]=4 1958 B10R1.10 CNCc1cccc(c1)Br 207a_100102657272_100000210085 [1,1,0,0,0,0|0,0,1]=3 1959 B10R1.10 CNCc1cccc(c1)Br 2230a_100000174977_200000210301 [1,1,0,0,0,0|0,0,1]=3 1960 B10R1.10 CNCc1cccc(c1)Br 2230a_106832991635_100000698116 [1,1,0,0,0,0|0,0,1]=3 1961 B10R1.10 CNCc1cccc(c1)Br 26a_100102657272_100000210342 [1,1,0,0,0,0|0,0,1]=3 1962 B10R1.10 CNCc1cccc(c1)Br 270004a_106832991635_100000210085 [1,1,0,0,0,0|0,0,1]=3 1963 B10R1.10 CNCc1cccc(c1)Br 34a_100000174977_200000210301 [1,1,0,0,0,0|0,0,1]=3 1964 B10R1.10 CNCc1cccc(c1)Br 34a_100102657272_100000698116 [1,1,0,0,0,0|0,0,1]=3 1965 B10R1.10 CNCc1cccc(c1)Br 7a_106832991635_100000211773 [1,1,0,0,0,0|0,0,1]=3 1966 B10R1.10 CNCc1cccc(c1)C 207a_100102657272_100000211157 [1,1,0,0,0,0|0,0,1]=3 1967 B10R1.10 CNCc1cccc(c1)C 2230a_100000185548_200000210301 [1,1,0,0,0,0|0,0,1]=3 1968 B10R1.10 CNCc1cccc(c1)C 2230a_106832991635_100000211840 [1,1,0,0,0,0|0,0,1]=3 1969 B10R1.10 CNCc1cccc(c1)C 270004a_106832991635_100000211157 [1,1,0,0,0,0|0,0,1]=3 1970 B10R1.10 CNCc1cccc(c1)C 34a_100000185548_200000210301 [1,1,0,0,0,0|0,0,1]=3 1971 B10R1.10 CNCc1cccc(c1)C 34a_100102657272_100000211840 [1,1,0,0,0,0|0,0,1]=3 1972 B10R1.10 CNCc1cccc(c1)C 7a_106832991635_100000211840 [1,1,0,0,0,0|0,0,1]=3 1973 B10R1.10 CNCc1cccc(c1)Cl 207a_100102657272_100000210801 [1,1,0,0,0,0|0,0,1]=3 1974 B10R1.10 CNCc1cccc(c1)Cl 2230a_100000174878_200000210301 [1,1,0,0,0,0|0,0,1]=3 1975 B10R1.10 CNCc1cccc(c1)Cl 2230a_106832991635_100000181238 [1,1,0,0,0,0|0,0,1]=3 1976 B10R1.10 CNCc1cccc(c1)Cl 270004a_106832991635_100000210801 [1,1,0,0,0,0|0,0,1]=3 1977 B10R1.10 CNCc1cccc(c1)Cl 34a_100000174878_200000210301 [1,1,0,0,0,0|0,0,1]=3 1978 B10R1.10 CNCc1cccc(c1)Cl 34a_100102657272_100000187163 [1,1,0,0,0,0|0,0,1]=3 1979 B10R1.10 CNCc1cccc(c1)Cl 7a_106832991635_100000187163 [1,1,0,0,0,0|0,0,1]=3 1980 B10R1.10 CNCc1cccc(c1)F 207a_100102657272_100000210812 [1,1,0,0,0,0|0,0,1]=3 1981 B10R1.10 CNCc1cccc(c1)F 2230a_100000174948_200000210301 [1,1,0,0,0,0|0,0,1]=3 1982 B10R1.10 CNCc1cccc(c1)F 2230a_106832991635_100000230114 [1,1,0,0,0,0|0,0,1]=3 1983 B10R1.10 CNCc1cccc(c1)F 270004a_106832991635_100000210812 [1,1,0,0,0,0|0,0,1]=3 1984 B10R1.10 CNCc1cccc(c1)F 34a_100000174948_200000210301 [1,1,0,0,0,0|0,0,1]=3 1985 B10R1.10 CNCc1cccc(c1)F 34a_100102657272_100000187166 [1,1,0,0,0,0|0,0,1]=3 1986 B10R1.10 CNCc1cccc(c1)F 7a_106832991635_100000230114 [1,1,0,0,0,0|0,0,1]=3 1987 B10R1.10 CNCc1cccc(c1)I 207a_100102657272_100000014684 [1,1,0,0,0,0|0,0,1]=3 1988 B10R1.10 CNCc1cccc(c1)I 2230a_100000106179_200000210301 [1,1,0,0,0,0|0,0,1]=3 1989 B10R1.10 CNCc1cccc(c1)I 2230a_106832991635_100011218688 [1,1,0,0,0,0|0,0,1]=3 1990 B10R1.10 CNCc1cccc(c1)I 270004a_106832991635_100000014684 [1,1,0,0,0,0|0,0,1]=3 1991 B10R1.10 CNCc1cccc(c1)I 34a_100000106179_200000210301 [1,1,0,0,0,0|0,0,1]=3 1992 B10R1.10 CNCc1cccc(c1)I 34a_100102657272_100011218688 [1,1,0,0,0,0|0,0,1]=3 1993 B10R1.10 CNCc1cccc(c1)I 7a_106832991635_100011218688 [1,1,0,0,0,0|0,0,1]=3 1994 B10R1.10 CNCc1cccc(c1)O 207a_100102657272_100000188321 [1,1,0,0,0,0|0,0,1]=3 1995 B10R1.10 CNCc1cccc(c1)O 2230a_100000743036_200000210301 [1,1,0,0,0,0|0,0,1]=3 1996 B10R1.10 CNCc1cccc(c1)O 2230a_106832991635_100011660834 [1,1,0,0,0,0|0,0,1]=3 1997 B10R1.10 CNCc1cccc(c1)O 270004a_106832991635_100000188321 [1,1,0,0,0,0|0,0,1]=3 1998 B10R1.10 CNCc1cccc(c1)O 271570a_203496583355_100000187585 [1,1,0,0,0,0|0,0,1]=3 1999 B10R1.10 CNCc1cccc(c1)O 34a_100000743036_200000210301 [1,1,0,0,0,0|0,0,1]=3 2000 B10R1.10 CNCc1cccc(c1)O 34a_100102657272_100011660834 [1,1,0,0,0,0|0,0,1]=3 2001 B10R1.10 CNCc1cccc(c1)O 7a_106832991635_100000084143 [1,1,0,0,0,0|0,0,1]=3 2002 B10R1.10 CNCc1cccc(n1)Br 2230a_100016987751_200000210301 [1,1,0,0,0,0|1,0,1]=4 2003 B10R1.10 CNCc1cccc(n1)Br 2230a_106832991635_100009889011 [1,1,0,0,0,0|1,0,1]=4 2004 B10R1.10 CNCc1cccc(n1)Br 270004a_106832991635_100000688028 [1,1,0,0,0,0|1,0,1]=4 2005 B10R1.10 CNCc1cccc(n1)Br 34a_100102657272_100009889011 [1,1,0,0,0,0|1,0,1]=4 2006 B10R1.10 CNCc1cccc(n1)Br 7a_106832991635_100009889011 [1,1,0,0,0,0|1,0,1]=4 2007 B10R1.10 CNCc1cccc(n1)C 207a_100102657272_100011215050 [1,1,0,0,0,0|1,0,1]=4 2008 B10R1.10 CNCc1cccc(n1)C 2230a_106832991635_100000757606 [1,1,0,0,0,0|1,0,1]=4 2009 B10R1.10 CNCc1cccc(n1)C 270004a_106832991635_100011215050 [1,1,0,0,0,0|1,0,1]=4 2010 B10R1.10 CNCc1cccc(n1)C 34a_100000701342_200000210301 [1,1,0,0,0,0|1,0,1]=4 2011 B10R1.10 CNCc1cccc(n1)C 34a_100102657272_100000757606 [1,1,0,0,0,0|1,0,1]=4 2012 B10R1.10 CNCc1cccc(n1)C 7a_106832991635_100000757606 [1,1,0,0,0,0|1,0,1]=4 2013 B10R1.10 CNCc1cccc(n1)Cl 2230a_100016990191_200000210301 [1,1,0,0,0,0|1,0,1]=4 2014 B10R1.10 CNCc1cccc(n1)Cl 2230a_106832991635_100000086093 [1,1,0,0,0,0|1,0,1]=4 2015 B10R1.10 CNCc1cccc(n1)Cl 270004a_106832991635_100011361687 [1,1,0,0,0,0|1,0,1]=4 2016 B10R1.10 CNCc1cccc(n1)Cl 34a_100102657272_100000086093 [1,1,0,0,0,0|1,0,1]=4 2017 B10R1.10 CNCc1cccc(n1)Cl 7a_106832991635_100000086093 [1,1,0,0,0,0|1,0,1]=4 2018 B10R1.10 CNCc1cccc(n1)F 2230a_100015188798_200000210301 [1,1,0,0,0,0|1,0,1]=4 2019 B10R1.10 CNCc1cccc(n1)F 2230a_106832991635_100009819644 [1,1,0,0,0,0|1,0,1]=4 2020 B10R1.10 CNCc1cccc(n1)F 270004a_106832991635_100000050434 [1,1,0,0,0,0|1,0,1]=4 2021 B10R1.10 CNCc1cccc(n1)F 34a_100015188798_200000210301 [1,1,0,0,0,0|1,0,1]=4 2022 B10R1.10 CNCc1cccc(n1)F 34a_100102657272_100009819644 [1,1,0,0,0,0|1,0,1]=4 2023 B10R1.10 CNCc1cccc(n1)F 7a_106832991635_100009819644 [1,1,0,0,0,0|1,0,1]=4 2024 B10R1.10 CNCc1cccc(n1)O 271570a_203496583355_106354212997 [1,1,0,0,0,0|1,0,1]=4 2025 B10R1.10 CNCc1ccnc(c1)Br 2230a_100025757509_200000210301 [1,1,0,0,0,0|1,0,1]=4 2026 B10R1.10 CNCc1ccnc(c1)Br 2230a_106832991635_100010243470 [1,1,0,0,0,0|1,0,1]=4 2027 B10R1.10 CNCc1ccnc(c1)Br 270004a_106832991635_100009814634 [1,1,0,0,0,0|1,0,1]=4 2028 B10R1.10 CNCc1ccnc(c1)Br 34a_100025757509_200000210301 [1,1,0,0,0,0|1,0,1]=4 2029 B10R1.10 CNCc1ccnc(c1)Br 34a_100102657272_100010243470 [1,1,0,0,0,0|1,0,1]=4 2030 B10R1.10 CNCc1ccnc(c1)Br 7a_106832991635_100010254460 [1,1,0,0,0,0|1,0,1]=4 2031 B10R1.10 CNCc1ccnc(c1)C 207a_100102657272_100011361630 [1,1,0,0,0,0|1,0,1]=4 2032 B10R1.10 CNCc1ccnc(c1)C 2230a_106832991635_200020672517 [1,1,0,0,0,0|1,0,1]=4 2033 B10R1.10 CNCc1ccnc(c1)C 270004a_106832991635_100011361630 [1,1,0,0,0,0|1,0,1]=4 2034 B10R1.10 CNCc1ccnc(c1)C 34a_100011934566_200000210301 [1,1,0,0,0,0|1,0,1]=4 2035 B10R1.10 CNCc1ccnc(c1)C 34a_100102657272_200020672517 [1,1,0,0,0,0|1,0,1]=4 2036 B10R1.10 CNCc1ccnc(c1)C 7a_106832991635_200020672517 [1,1,0,0,0,0|1,0,1]=4 2037 B10R1.10 CNCc1ccnc(c1)Cl 2230a_100015205668_200000210301 [1,1,0,0,0,0|1,0,1]=4 2038 B10R1.10 CNCc1ccnc(c1)Cl 2230a_106832991635_100000764220 [1,1,0,0,0,0|1,0,1]=4 2039 B10R1.10 CNCc1ccnc(c1)Cl 270004a_106832991635_100011290808 [1,1,0,0,0,0|1,0,1]=4 2040 B10R1.10 CNCc1ccnc(c1)Cl 34a_100015205668_200000210301 [1,1,0,0,0,0|1,0,1]=4 2041 B10R1.10 CNCc1ccnc(c1)Cl 34a_100102657272_100000764220 [1,1,0,0,0,0|1,0,1]=4 2042 B10R1.10 CNCc1ccnc(c1)Cl 7a_106832991635_100000764220 [1,1,0,0,0,0|1,0,1]=4 2043 B10R1.10 CNCc1ccnc(c1)F 2230a_100015188774_200000210301 [1,1,0,0,0,0|1,0,1]=4 2044 B10R1.10 CNCc1ccnc(c1)F 270004a_106832991635_100000068331 [1,1,0,0,0,0|1,0,1]=4 2045 B10R1.10 CNCc1ccnc(c1)F 34a_100015188774_200000210301 [1,1,0,0,0,0|1,0,1]=4 2046 B10R1.10 CNCc1ccnc(c1)O 207a_100102657272_100000688113 [1,1,0,0,0,0|1,0,1]=4 2047 B10R1.10 CNCc1cncc(c1)Br 207a_100102657272_100000687066 [1,1,0,0,0,0|1,0,1]=4 2048 B10R1.10 CNCc1cncc(c1)Br 2230a_106832991635_100000738771 [1,1,0,0,0,0|1,0,1]=4 2049 B10R1.10 CNCc1cncc(c1)Br 270004a_106832991635_100000687066 [1,1,0,0,0,0|1,0,1]=4 2050 B10R1.10 CNCc1cncc(c1)Br 34a_100102657272_100000738771 [1,1,0,0,0,0|1,0,1]=4 2051 B10R1.10 CNCc1cncc(c1)Br 7a_106832991635_100000738771 [1,1,0,0,0,0|1,0,1]=4 2052 B10R1.10 CNCc1cncc(c1)C 207a_100102657272_100011998712 [1,1,0,0,0,0|1,0,1]=4 2053 B10R1.10 CNCc1cncc(c1)C 2230a_100000692839_200000210301 [1,1,0,0,0,0|1,0,1]=4 2054 B10R1.10 CNCc1cncc(c1)C 2230a_106832991635_100000716715 [1,1,0,0,0,0|1,0,1]=4 2055 B10R1.10 CNCc1cncc(c1)C 270004a_106832991635_100011998712 [1,1,0,0,0,0|1,0,1]=4 2056 B10R1.10 CNCc1cncc(c1)C 34a_100000692839_200000210301 [1,1,0,0,0,0|1,0,1]=4 2057 B10R1.10 CNCc1cncc(c1)C 34a_100102657272_100000716715 [1,1,0,0,0,0|1,0,1]=4 2058 B10R1.10 CNCc1cncc(c1)C 7a_106832991635_100000716715 [1,1,0,0,0,0|1,0,1]=4 2059 B10R1.10 CNCc1cncc(c1)Cl 207a_100102657272_100000088910 [1,1,0,0,0,0|1,0,1]=4 2060 B10R1.10 CNCc1cncc(c1)Cl 2230a_106832991635_100016992070 [1,1,0,0,0,0|1,0,1]=4 2061 B10R1.10 CNCc1cncc(c1)Cl 2230a_200020614424_200000210301 [1,1,0,0,0,0|1,0,1]=4 2062 B10R1.10 CNCc1cncc(c1)Cl 270004a_106832991635_100000088910 [1,1,0,0,0,0|1,0,1]=4 2063 B10R1.10 CNCc1cncc(c1)Cl 34a_100102657272_100016992070 [1,1,0,0,0,0|1,0,1]=4 2064 B10R1.10 CNCc1cncc(c1)Cl 7a_106832991635_100016992070 [1,1,0,0,0,0|1,0,1]=4 2065 B10R1.10 CNCc1cncc(c1)F 207a_100102657272_100011361476 [1,1,0,0,0,0|1,0,1]=4 2066 B10R1.10 CNCc1cncc(c1)F 2230a_100011962886_200000210301 [1,1,0,0,0,0|1,0,1]=4 2067 B10R1.10 CNCc1cncc(c1)F 2230a_106832991635_100000725299 [1,1,0,0,0,0|1,0,1]=4 2068 B10R1.10 CNCc1cncc(c1)F 270004a_106832991635_100011361476 [1,1,0,0,0,0|1,0,1]=4 2069 B10R1.10 CNCc1cncc(c1)F 34a_100011962886_200000210301 [1,1,0,0,0,0|1,0,1]=4 2070 B10R1.10 CNCc1cncc(c1)F 34a_100102657272_100000725299 [1,1,0,0,0,0|1,0,1]=4 2071 B10R1.10 CNCc1cncc(c1)F 7a_106832991635_100000725299 [1,1,0,0,0,0|1,0,1]=4 2072 B10R1.10 CNCc1cncc(c1)O 207a_100102657272_100012187055 [1,1,0,0,0,0|1,0,1]=4 2073 B10R1.10 CNCc1cncc(c1)O 270004a_106832991635_100012187055 [1,1,0,0,0,0|1,0,1]=4 2074 B10R1.10 CNCc1cncc(c1)O 271570a_203496583355_103549770560 [1,1,0,0,0,0|1,0,1]=4 2075 B10R1.10 COCc1cccc(c1)Br 34a_100000687537_200000210301 [1,1,0,0,0,0|1,0,1]=4 2076 B10R1.10 COCc1cccc(c1)Br 34a_100138415774_100000698116 [1,1,0,0,0,0|1,0,1]=4 2077 B10R1.10 COCc1cccc(c1)Br 7a_100000687537_200000210301 [1,1,0,0,0,0|1,0,1]=4 2078 B10R1.10 COCc1cccc(c1)C 34a_100011217746_200000210301 [1,1,0,0,0,0|1,0,1]=4 2079 B10R1.10 COCc1cccc(c1)C 34a_100138415774_100000211840 [1,1,0,0,0,0|1,0,1]=4 2080 B10R1.10 COCc1cccc(c1)C 7a_100011217746_200000210301 [1,1,0,0,0,0|1,0,1]=4 2081 B10R1.10 COCc1cccc(c1)Cl 34a_100000241301_200000210301 [1,1,0,0,0,0|1,0,1]=4 2082 B10R1.10 COCc1cccc(c1)Cl 34a_100138415774_100000187163 [1,1,0,0,0,0|1,0,1]=4 2083 B10R1.10 COCc1cccc(c1)Cl 7a_100000241301_200000210301 [1,1,0,0,0,0|1,0,1]=4 2084 B10R1.10 COCc1cccc(c1)F 34a_100000210976_200000210301 [1,1,0,0,0,0|1,0,1]=4 2085 B10R1.10 COCc1cccc(c1)F 34a_100138415774_100000187166 [1,1,0,0,0,0|1,0,1]=4 2086 B10R1.10 COCc1cccc(c1)F 7a_100000210976_200000210301 [1,1,0,0,0,0|1,0,1]=4 2087 B10R1.10 COCc1cccc(c1)I 34a_100011215336_200000210301 [1,1,0,0,0,0|1,0,1]=4 2088 B10R1.10 COCc1cccc(c1)I 34a_100138415774_100011218688 [1,1,0,0,0,0|1,0,1]=4 2089 B10R1.10 COCc1cccc(c1)I 7a_100011215336_200000210301 [1,1,0,0,0,0|1,0,1]=4 2090 B10R1.10 COCc1cccc(c1)N 34a_100000211919_200000210301 [1,1,0,0,0,0|1,0,1]=4 2091 B10R1.10 COCc1cccc(c1)O 271570a_203496583355_100011493687 [1,1,0,0,0,0|1,0,1]=4 2092 B10R1.10 COCc1cccc(c1)O 34a_100138415774_100011660834 [1,1,0,0,0,0|1,0,1]=4 2093 B10R1.10 CSCc1cccc(c1)Br 62a_100000211773_200000210301 [1,1,0,0,0,0|1,0,1]=4 2094 B10R1.10 CSCc1cccc(c1)Br 62a_200000210301_100000211773 [1,1,0,0,0,0|1,0,1]=4 2095 B10R1.10 CSCc1cccc(c1)C 62a_100000211840_200000210301 [1,1,0,0,0,0|1,0,1]=4 2096 B10R1.10 CSCc1cccc(c1)C 62a_200000210301_100000211840 [1,1,0,0,0,0|1,0,1]=4 2097 B10R1.10 CSCc1cccc(c1)Cl 62a_100000187163_200000210301 [1,1,0,0,0,0|1,0,1]=4 2098 B10R1.10 CSCc1cccc(c1)Cl 62a_200000210301_100000187163 [1,1,0,0,0,0|1,0,1]=4 2099 B10R1.10 CSCc1cccc(c1)F 62a_100000230114_200000210301 [1,1,0,0,0,0|1,0,1]=4 2100 B10R1.10 CSCc1cccc(c1)F 62a_200000210301_100000230114 [1,1,0,0,0,0|1,0,1]=4 2101 B10R1.10 CSCc1cccc(c1)I 62a_100011218688_200000210301 [1,1,0,0,0,0|1,0,1]=4 2102 B10R1.10 CSCc1cccc(c1)I 62a_200000210301_100011218688 [1,1,0,0,0,0|1,0,1]=4 2103 B10R1.10 CSCc1cccc(c1)O 62a_100011660834_200000210301 [1,1,0,0,0,0|1,0,1]=4 2104 B10R1.10 CSCc1cccc(c1)O 62a_200000210301_100011660834 [1,1,0,0,0,0|1,0,1]=4 2105 B10R1.10 Cc1cc(ccn1)CN[13CH3] 34a_100011934566_200025704644 [1,1,0,0,0,0|1,0,1]=4 2106 B10R1.10 Cc1cccc(c1)CN[13CH3] 2230a_100000185548_200025704644 [1,1,0,0,0,0|0,0,1]=3 2107 B10R1.10 Cc1cccc(c1)CN[13CH3] 34a_100000185548_200025704644 [1,1,0,0,0,0|0,0,1]=3 2108 B10R1.10 Cc1cccc(c1)CO[13CH3] 34a_100011217746_200025704644 [1,1,0,0,0,0|1,0,1]=4 2109 B10R1.10 Cc1cccc(c1)CO[13CH3] 7a_100011217746_200025704644 [1,1,0,0,0,0|1,0,1]=4 2110 B10R1.10 Cc1cccc(c1)CS[13CH3] 62a_100000211840_200025704644 [1,1,0,0,0,0|1,0,1]=4 2111 B10R1.10 Cc1cccc(c1)CS[13CH3] 62a_200025704644_100000211840 [1,1,0,0,0,0|1,0,1]=4 2112 B10R1.10 Cc1cccc(n1)CN[13CH3] 34a_100000701342_200025704644 [1,1,0,0,0,0|1,0,1]=4 2113 B10R1.10 Cc1cncc(c1)CN[13CH3] 2230a_100000692839_200025704644 [1,1,0,0,0,0|1,0,1]=4 2114 B10R1.10 Cc1cncc(c1)CN[13CH3] 34a_100000692839_200025704644 [1,1,0,0,0,0|1,0,1]=4 2115 B10R1.10 NNCc1cccc(c1)O 271570a_203496583355_100000686200 [1,1,0,0,0,0|1,0,1]=4 2116 B10R1.10 [13CH3]NCc1cccc(=O)[nH]1 2230a_100000696482_200025704644 [1,1,0,0,0,0|1,0,1]=4 2117 B10R1.10 [13CH3]NCc1cccc(c1)Br 2230a_100000174977_200025704644 [1,1,0,0,0,0|0,0,1]=3 2118 B10R1.10 [13CH3]NCc1cccc(c1)Br 34a_100000174977_200025704644 [1,1,0,0,0,0|0,0,1]=3 2119 B10R1.10 [13CH3]NCc1cccc(c1)Cl 2230a_100000174878_200025704644 [1,1,0,0,0,0|0,0,1]=3 2120 B10R1.10 [13CH3]NCc1cccc(c1)Cl 34a_100000174878_200025704644 [1,1,0,0,0,0|0,0,1]=3 2121 B10R1.10 [13CH3]NCc1cccc(c1)F 2230a_100000174948_200025704644 [1,1,0,0,0,0|0,0,1]=3 2122 B10R1.10 [13CH3]NCc1cccc(c1)F 34a_100000174948_200025704644 [1,1,0,0,0,0|0,0,1]=3 2123 B10R1.10 [13CH3]NCc1cccc(c1)I 2230a_100000106179_200025704644 [1,1,0,0,0,0|0,0,1]=3 2124 B10R1.10 [13CH3]NCc1cccc(c1)I 34a_100000106179_200025704644 [1,1,0,0,0,0|0,0,1]=3 2125 B10R1.10 [13CH3]NCc1cccc(c1)O 2230a_100000743036_200025704644 [1,1,0,0,0,0|0,0,1]=3 2126 B10R1.10 [13CH3]NCc1cccc(c1)O 34a_100000743036_200025704644 [1,1,0,0,0,0|0,0,1]=3 2127 B10R1.10 [13CH3]NCc1cccc(n1)Br 2230a_100016987751_200025704644 [1,1,0,0,0,0|1,0,1]=4 2128 B10R1.10 [13CH3]NCc1cccc(n1)Cl 2230a_100016990191_200025704644 [1,1,0,0,0,0|1,0,1]=4 2129 B10R1.10 [13CH3]NCc1cccc(n1)F 2230a_100015188798_200025704644 [1,1,0,0,0,0|1,0,1]=4 2130 B10R1.10 [13CH3]NCc1cccc(n1)F 34a_100015188798_200025704644 [1,1,0,0,0,0|1,0,1]=4 2131 B10R1.10 [13CH3]NCc1ccnc(c1)Br 2230a_100025757509_200025704644 [1,1,0,0,0,0|1,0,1]=4 2132 B10R1.10 [13CH3]NCc1ccnc(c1)Br 34a_100025757509_200025704644 [1,1,0,0,0,0|1,0,1]=4 2133 B10R1.10 [13CH3]NCc1ccnc(c1)Cl 2230a_100015205668_200025704644 [1,1,0,0,0,0|1,0,1]=4 2134 B10R1.10 [13CH3]NCc1ccnc(c1)Cl 34a_100015205668_200025704644 [1,1,0,0,0,0|1,0,1]=4 2135 B10R1.10 [13CH3]NCc1ccnc(c1)F 2230a_100015188774_200025704644 [1,1,0,0,0,0|1,0,1]=4 2136 B10R1.10 [13CH3]NCc1ccnc(c1)F 34a_100015188774_200025704644 [1,1,0,0,0,0|1,0,1]=4 2137 B10R1.10 [13CH3]NCc1cncc(c1)Cl 2230a_200020614424_200025704644 [1,1,0,0,0,0|1,0,1]=4 2138 B10R1.10 [13CH3]NCc1cncc(c1)F 2230a_100011962886_200025704644 [1,1,0,0,0,0|1,0,1]=4 2139 B10R1.10 [13CH3]NCc1cncc(c1)F 34a_100011962886_200025704644 [1,1,0,0,0,0|1,0,1]=4 2140 B10R1.10 [13CH3]OCc1cccc(c1)Br 34a_100000687537_200025704644 [1,1,0,0,0,0|1,0,1]=4 2141 B10R1.10 [13CH3]OCc1cccc(c1)Br 7a_100000687537_200025704644 [1,1,0,0,0,0|1,0,1]=4 2142 B10R1.10 [13CH3]OCc1cccc(c1)Cl 34a_100000241301_200025704644 [1,1,0,0,0,0|1,0,1]=4 2143 B10R1.10 [13CH3]OCc1cccc(c1)Cl 7a_100000241301_200025704644 [1,1,0,0,0,0|1,0,1]=4 2144 B10R1.10 [13CH3]OCc1cccc(c1)F 34a_100000210976_200025704644 [1,1,0,0,0,0|1,0,1]=4 2145 B10R1.10 [13CH3]OCc1cccc(c1)F 7a_100000210976_200025704644 [1,1,0,0,0,0|1,0,1]=4 2146 B10R1.10 [13CH3]OCc1cccc(c1)I 34a_100011215336_200025704644 [1,1,0,0,0,0|1,0,1]=4 2147 B10R1.10 [13CH3]OCc1cccc(c1)I 7a_100011215336_200025704644 [1,1,0,0,0,0|1,0,1]=4 2148 B10R1.10 [13CH3]OCc1cccc(c1)N 34a_100000211919_200025704644 [1,1,0,0,0,0|1,0,1]=4 2149 B10R1.10 [13CH3]SCc1cccc(c1)Br 62a_100000211773_200025704644 [1,1,0,0,0,0|1,0,1]=4 2150 B10R1.10 [13CH3]SCc1cccc(c1)Br 62a_200025704644_100000211773 [1,1,0,0,0,0|1,0,1]=4 2151 B10R1.10 [13CH3]SCc1cccc(c1)Cl 62a_100000187163_200025704644 [1,1,0,0,0,0|1,0,1]=4 2152 B10R1.10 [13CH3]SCc1cccc(c1)Cl 62a_200025704644_100000187163 [1,1,0,0,0,0|1,0,1]=4 2153 B10R1.10 [13CH3]SCc1cccc(c1)F 62a_100000230114_200025704644 [1,1,0,0,0,0|1,0,1]=4 2154 B10R1.10 [13CH3]SCc1cccc(c1)F 62a_200025704644_100000230114 [1,1,0,0,0,0|1,0,1]=4 2155 B10R1.10 [13CH3]SCc1cccc(c1)I 62a_100011218688_200025704644 [1,1,0,0,0,0|1,0,1]=4 2156 B10R1.10 [13CH3]SCc1cccc(c1)I 62a_200025704644_100011218688 [1,1,0,0,0,0|1,0,1]=4 2157 B10R1.10 [13CH3]SCc1cccc(c1)O 62a_100011660834_200025704644 [1,1,0,0,0,0|1,0,1]=4 2158 B10R1.10 [13CH3]SCc1cccc(c1)O 62a_200025704644_100011660834 [1,1,0,0,0,0|1,0,1]=4 2159 B10R1.17 CC=NNc1ccccc1 4a_100015195140_200000210099 [1,1,0,0,0,0|1,0,1]=4 2160 B10R1.17 CCCCc1ccccc1 271570a_100020621405_100000210277 [1,1,0,0,0,0|1,0,1]=4 2161 B10R1.17 CCCNc1ccccc1 34a_100000106764_100000210303 [1,1,0,0,0,0|1,0,1]=4 2162 B10R1.17 CCCOc1ccccc1 34a_100000210340_100000210303 [1,1,0,0,0,0|1,0,1]=4 2163 B10R1.17 CCCOc1ccccc1 7a_100000210340_100000210303 [1,1,0,0,0,0|1,0,1]=4 2164 B10R1.17 CCCSc1ccccc1 62a_100000210303_100000041952 [1,1,0,0,0,0|1,0,1]=4 2165 B10R1.17 CCCSc1ccccc1 62a_100000719477_100000210303 [1,1,0,0,0,0|1,0,1]=4 2166 B10R1.17 CCNCc1ccccc1 207a_100015525214_100015611070 [1,1,0,0,0,0|0,0,1]=3 2167 B10R1.17 CCNCc1ccccc1 2230a_100015324214_100000210202 [1,1,0,0,0,0|0,0,1]=3 2168 B10R1.17 CCNCc1ccccc1 2230a_100015525214_100015291786 [1,1,0,0,0,0|0,0,1]=3 2169 B10R1.17 CCNCc1ccccc1 270004a_100015525214_100015611070 [1,1,0,0,0,0|0,0,1]=3 2170 B10R1.17 CCNCc1ccccc1 34a_100015324214_100000210202 [1,1,0,0,0,0|0,0,1]=3 2171 B10R1.17 CCNCc1ccccn1 207a_100015525214_100000209966 [1,1,0,0,0,0|1,0,1]=4 2172 B10R1.17 CCNCc1ccccn1 2230a_100015525214_100000721315 [1,1,0,0,0,0|1,0,1]=4 2173 B10R1.17 CCNCc1ccccn1 270004a_100015525214_100000209966 [1,1,0,0,0,0|1,0,1]=4 2174 B10R1.17 CCNCc1cccnc1 207a_100015525214_100000209961 [1,1,0,0,0,0|1,0,1]=4 2175 B10R1.17 CCNCc1cccnc1 2230a_100015525214_100000741622 [1,1,0,0,0,0|1,0,1]=4 2176 B10R1.17 CCNCc1cccnc1 270004a_100015525214_100000209961 [1,1,0,0,0,0|1,0,1]=4 2177 B10R1.17 CCNCc1ccncc1 207a_100015525214_100000186114 [1,1,0,0,0,0|1,0,1]=4 2178 B10R1.17 CCNCc1ccncc1 2230a_100015525214_100015193705 [1,1,0,0,0,0|1,0,1]=4 2179 B10R1.17 CCOCc1ccccc1 34a_100000210790_100000210202 [1,1,0,0,0,0|1,0,1]=4 2180 B10R1.17 CCOCc1ccccc1 34a_100121572206_100015291786 [1,1,0,0,0,0|1,0,1]=4 2181 B10R1.17 CCOCc1ccccc1 7a_100000210790_100000210202 [1,1,0,0,0,0|1,0,1]=4 2182 B10R1.17 CCSCc1ccccc1 62a_100000210202_100015291786 [1,1,0,0,0,0|1,0,1]=4 2183 B10R1.17 CCSCc1ccccc1 62a_100000211182_100000210202 [1,1,0,0,0,0|1,0,1]=4 2184 B10R1.17 CNCCc1ccccc1 2230a_100000106460_200000210301 [1,1,0,0,0,0|0,0,1]=3 2185 B10R1.17 CNCCc1ccccc1 2230a_106832991635_100000765856 [1,1,0,0,0,0|0,0,1]=3 2186 B10R1.17 CNCCc1ccccc1 34a_100000106460_200000210301 [1,1,0,0,0,0|0,0,1]=3 2187 B10R1.17 CNCCc1ccccc1 34a_100102657272_100000765856 [1,1,0,0,0,0|0,0,1]=3 2188 B10R1.17 CNCCc1ccccc1 7a_106832991635_100000765856 [1,1,0,0,0,0|0,0,1]=3 2189 B10R1.17 CNCCc1ccccn1 2230a_106832991635_100015183660 [1,1,0,0,0,0|1,0,1]=4 2190 B10R1.17 CNCCc1ccccn1 7a_106832991635_100015183660 [1,1,0,0,0,0|1,0,1]=4 2191 B10R1.17 CNCCc1cccnc1 2230a_100000736294_200000210301 [1,1,0,0,0,0|1,0,1]=4 2192 B10R1.17 CNCCc1cccnc1 2230a_106832991635_200011713674 [1,1,0,0,0,0|1,0,1]=4 2193 B10R1.17 CNCCc1cccnc1 7a_106832991635_200011713674 [1,1,0,0,0,0|1,0,1]=4 2194 B10R1.17 CNCCc1ccncc1 2230a_106832991635_100000723409 [1,1,0,0,0,0|1,0,1]=4 2195 B10R1.17 CNCCc1ccncc1 7a_106832991635_100000723409 [1,1,0,0,0,0|1,0,1]=4 2196 B10R1.17 CNCSc1ccccc1 2230a_106832991635_100011218342 [1,1,0,0,0,0|0,0,1]=3 2197 B10R1.17 COCCc1ccccc1 34a_100000210268_200000210301 [1,1,0,0,0,0|1,0,1]=4 2198 B10R1.17 COCCc1ccccc1 34a_100138415774_100000765856 [1,1,0,0,0,0|1,0,1]=4 2199 B10R1.17 COCCc1ccccc1 7a_100000210268_200000210301 [1,1,0,0,0,0|1,0,1]=4 2200 B10R1.17 COCSc1ccccc1 62a_100000719477_100000766300 [1,1,0,0,0,0|1,0,1]=4 2201 B10R1.17 COCSc1ccccc1 62a_100000766300_100000041952 [1,1,0,0,0,0|1,0,1]=4 2202 B10R1.17 CSCCc1ccccc1 62a_100000765856_200000210301 [1,1,0,0,0,0|1,0,1]=4 2203 B10R1.17 CSCCc1ccccc1 62a_200000210301_100011218657 [1,1,0,0,0,0|1,0,1]=4 2204 B10R1.17 CSCNc1ccccc1 34a_100000106764_100011218213 [1,1,0,0,0,0|1,0,1]=4 2205 B10R1.17 CSCOc1ccccc1 34a_100000210340_100011218213 [1,1,0,0,0,0|1,0,1]=4 2206 B10R1.17 CSCSc1ccccc1 62a_100000719477_100011218213 [1,1,0,0,0,0|1,0,1]=4 2207 B10R1.17 CSCSc1ccccc1 62a_100011218213_100000041952 [1,1,0,0,0,0|1,0,1]=4 2208 B10R1.17 CSCSc1ccccc1 62a_100011218342_200000210301 [1,1,0,0,0,0|1,0,1]=4 2209 B10R1.17 CSCSc1ccccc1 62a_200000210301_100011218342 [1,1,0,0,0,0|1,0,1]=4 2210 B10R1.17 FCCNc1ccccc1 34a_100000106764_100011217306 [1,1,0,0,0,0|2,0,0]=4 2211 B10R1.17 FCCOc1ccccc1 34a_100000210340_100011217306 [1,1,0,0,0,0|2,0,0]=4 2212 B10R1.17 FCCOc1ccccc1 7a_100000210340_100011217306 [1,1,0,0,0,0|2,0,0]=4 2213 B10R1.17 FCCSc1ccccc1 62a_100000719477_100011217306 [1,1,0,0,0,0|2,0,0]=4 2214 B10R1.17 FCCSc1ccccc1 62a_100011217306_100000041952 [1,1,0,0,0,0|2,0,0]=4 2215 B10R1.17 FCNCc1ccccc1 34a_100015324214_100015361967 [1,1,0,0,0,0|0,0,1]=3 2216 B10R1.17 FCOCc1ccccc1 34a_100000210790_100015361967 [1,1,0,0,0,0|1,0,1]=4 2217 B10R1.17 FCOCc1ccccc1 7a_100000210790_100015361967 [1,1,0,0,0,0|1,0,1]=4 2218 B10R1.17 FCSCc1ccccc1 62a_100000211182_100015361967 [1,1,0,0,0,0|1,0,1]=4 2219 B10R1.17 FCSCc1ccccc1 62a_100015361967_100015291786 [1,1,0,0,0,0|1,0,1]=4 2220 B10R1.17 OCCNc1ccccc1 34a_100000106764_100000211926 [1,1,0,0,0,0|2,0,0]=4 2221 B10R1.17 OCCOc1ccccc1 34a_100000210340_100000211926 [1,1,0,0,0,0|2,0,0]=4 2222 B10R1.17 OCCOc1ccccc1 7a_100000210340_100000211926 [1,1,0,0,0,0|2,0,0]=4 2223 B10R1.17 OCCSc1ccccc1 62a_100000211926_100000041952 [1,1,0,0,0,0|2,0,0]=4 2224 B10R1.17 OCCSc1ccccc1 62a_100000719477_100000211926 [1,1,0,0,0,0|2,0,0]=4 2225 B10R1.17 [13CH3]NCCc1ccccc1 2230a_100000106460_200025704644 [1,1,0,0,0,0|0,0,1]=3 2226 B10R1.17 [13CH3]NCCc1ccccc1 34a_100000106460_200025704644 [1,1,0,0,0,0|0,0,1]=3 2227 B10R1.17 [13CH3]NCCc1cccnc1 2230a_100000736294_200025704644 [1,1,0,0,0,0|1,0,1]=4 2228 B10R1.17 [13CH3]OCCc1ccccc1 34a_100000210268_200025704644 [1,1,0,0,0,0|1,0,1]=4 2229 B10R1.17 [13CH3]OCCc1ccccc1 7a_100000210268_200025704644 [1,1,0,0,0,0|1,0,1]=4 2230 B10R1.17 [13CH3]SCCc1ccccc1 62a_100000765856_200025704644 [1,1,0,0,0,0|1,0,1]=4 2231 B10R1.17 [13CH3]SCCc1ccccc1 62a_200025704644_100011218657 [1,1,0,0,0,0|1,0,1]=4 2232 B10R1.17 [13CH3]SCSc1ccccc1 62a_100011218342_200025704644 [1,1,0,0,0,0|1,0,1]=4 2233 B10R1.17 [13CH3]SCSc1ccccc1 62a_200025704644_100011218342 [1,1,0,0,0,0|1,0,1]=4 2234 B10R1.18 CC(=Cc1ccccc1)C 271570a_100102525489_100000210277 [1,1,0,0,0,0|1,0,0]=3 2235 B10R1.18 CC(=Cc1ccccn1)C 271570a_100102525489_100011216584 [1,1,0,0,0,0|2,0,0]=4 2236 B10R1.18 CC(=Cc1cccnc1)C 271570a_100102525489_100000752921 [1,1,0,0,0,0|2,0,0]=4 2237 B10R1.18 CC(=Cc1ccncc1)C 271570a_100102525489_100000035832 [1,1,0,0,0,0|2,0,0]=4 2238 B10R1.18 CC(=O)Cc1ccccc1 1458a_100000070787_100015291786 [1,1,0,0,0,0|1,0,1]=4 2239 B10R1.18 CC(=O)Nc1ccccc1 11a_100000106764_100015343762 [1,1,0,0,0,0|2,0,0]=4 2240 B10R1.18 CC(=O)Nc1ccccc1 1626a_100000106764_100015343762 [1,1,0,0,0,0|2,0,0]=4 2241 B10R1.18 CC(=O)Nc1ccccc1 22a_100000106764_100000070787 [1,1,0,0,0,0|2,0,0]=4 2242 B10R1.18 CC(=O)Nc1ccccc1 527a_100000106764_100103153847 [1,1,0,0,0,0|2,0,0]=4 2243 B10R1.18 CC(C)Nc1ccccc1 34a_100000106764_100000210206 [1,1,0,0,0,0|2,0,0]=4 2244 B10R1.18 CC(C)Oc1ccccc1 34a_100000210340_100000210206 [1,1,0,0,0,0|2,0,0]=4 2245 B10R1.18 CC(C)Oc1ccccc1 7a_100000210340_100000210206 [1,1,0,0,0,0|2,0,0]=4 2246 B10R1.18 CC(C)Sc1ccccc1 62a_100000210206_100000041952 [1,1,0,0,0,0|2,0,0]=4 2247 B10R1.18 CC(C)Sc1ccccc1 62a_100000719477_100000210206 [1,1,0,0,0,0|2,0,0]=4 2248 B10R1.18 CN(C)Cc1ccccc1 2230a_100000186898_200000210301 [1,1,0,0,0,0|0,0,1]=3 2249 B10R1.18 CN(C)Cc1ccccc1 2230a_100102631434_100015291786 [1,1,0,0,0,0|0,0,1]=3 2250 B10R1.18 CN(C)Cc1ccccc1 269982a_100000186898_200000210301 [1,1,0,0,0,0|0,0,1]=3 2251 B10R1.18 CN(C)Cc1ccccc1 269982a_100102631434_100000211182 [1,1,0,0,0,0|0,0,1]=3 2252 B10R1.18 CN(C)Cc1ccccc1 270004a_100102631434_100015611070 [1,1,0,0,0,0|0,0,1]=3 2253 B10R1.18 CN(C)Cc1ccccn1 2230a_100000207498_200000210301 [1,1,0,0,0,0|1,0,1]=4 2254 B10R1.18 CN(C)Cc1ccccn1 2230a_100102631434_100000721315 [1,1,0,0,0,0|1,0,1]=4 2255 B10R1.18 CN(C)Cc1ccccn1 269982a_100000207498_200000210301 [1,1,0,0,0,0|1,0,1]=4 2256 B10R1.18 CN(C)Cc1ccccn1 269982a_100102631434_100000721315 [1,1,0,0,0,0|1,0,1]=4 2257 B10R1.18 CN(C)Cc1ccccn1 270004a_100102631434_100000209966 [1,1,0,0,0,0|1,0,1]=4 2258 B10R1.18 CN(C)Cc1cccnc1 2230a_100000184577_200000210301 [1,1,0,0,0,0|1,0,1]=4 2259 B10R1.18 CN(C)Cc1cccnc1 2230a_100102631434_100000741622 [1,1,0,0,0,0|1,0,1]=4 2260 B10R1.18 CN(C)Cc1cccnc1 269982a_100000184577_200000210301 [1,1,0,0,0,0|1,0,1]=4 2261 B10R1.18 CN(C)Cc1cccnc1 269982a_100102631434_100000733263 [1,1,0,0,0,0|1,0,1]=4 2262 B10R1.18 CN(C)Cc1cccnc1 270004a_100102631434_100000209961 [1,1,0,0,0,0|1,0,1]=4 2263 B10R1.18 CN(C)Cc1ccncc1 2230a_100000187231_200000210301 [1,1,0,0,0,0|1,0,1]=4 2264 B10R1.18 CN(C)Cc1ccncc1 2230a_100102631434_100015193705 [1,1,0,0,0,0|1,0,1]=4 2265 B10R1.18 CN(C)Cc1ccncc1 269982a_100000187231_200000210301 [1,1,0,0,0,0|1,0,1]=4 2266 B10R1.18 CN(C)Cc1ccncc1 269982a_100102631434_100015193705 [1,1,0,0,0,0|1,0,1]=4 2267 B10R1.18 CN([13CH3])Cc1ccccc1 2230a_100000186898_200025704644 [1,1,0,0,0,0|0,0,1]=3 2268 B10R1.18 CN([13CH3])Cc1ccccc1 269982a_100000186898_200025704644 [1,1,0,0,0,0|0,0,1]=3 2269 B10R1.18 CN([13CH3])Cc1ccccn1 2230a_100000207498_200025704644 [1,1,0,0,0,0|1,0,1]=4 2270 B10R1.18 CN([13CH3])Cc1ccccn1 269982a_100000207498_200025704644 [1,1,0,0,0,0|1,0,1]=4 2271 B10R1.18 CN([13CH3])Cc1cccnc1 2230a_100000184577_200025704644 [1,1,0,0,0,0|1,0,1]=4 2272 B10R1.18 CN([13CH3])Cc1cccnc1 269982a_100000184577_200025704644 [1,1,0,0,0,0|1,0,1]=4 2273 B10R1.18 CN([13CH3])Cc1ccncc1 2230a_100000187231_200025704644 [1,1,0,0,0,0|1,0,1]=4 2274 B10R1.18 CN([13CH3])Cc1ccncc1 269982a_100000187231_200025704644 [1,1,0,0,0,0|1,0,1]=4 2275 B10R1.6 CNS(=O)(=O)c1ccco1 270084a_100102657272_200000702926 [0,1,0,0,1,0|2,0,0]=4 2276 B10R1.6 CNS(=O)(=O)c1ccco1 274078a_100102657272_200000702926 [0,1,0,0,1,0|2,0,0]=4 2277 B10R1.6 CNS(=O)(=O)c1cccs1 270084a_100102657272_100000205146 [0,1,0,0,1,0|2,0,0]=4 2278 B10R1.6 CNS(=O)(=O)c1cccs1 274078a_100102657272_100000205146 [0,1,0,0,1,0|2,0,0]=4 2279 B10R1.6 CNS(=O)(=O)c1cccs1 40a_100102657272_200000102146 [0,1,0,0,1,0|2,0,0]=4 2280 B10R1.6 CNS(=O)(=O)c1ccsc1 270084a_100102657272_100000756429 [0,1,0,0,1,0|2,0,0]=4 2281 B10R1.6 CNS(=O)(=O)c1ccsc1 274078a_100102657272_100000756429 [0,1,0,0,1,0|2,0,0]=4 2282 B10R1.11 CNCC(=O)c1ccc[nH]1 7a_106832991635_200011262396 [0,1,0,0,1,0|1,0,0]=3 2283 B10R1.11 CNCC(=O)c1ccco1 7a_106832991635_100000211439 [0,1,0,0,1,0|1,0,0]=3 2284 B10R1.11 CNCC(=O)c1cccs1 2230a_106832991635_100000211436 [0,1,0,0,1,0|1,0,0]=3 2285 B10R1.11 CNCC(=O)c1cccs1 7a_106832991635_100000211436 [0,1,0,0,1,0|1,0,0]=3 2286 B10R1.11 CNCC(=O)c1ccsc1 2230a_106832991635_100011219462 [0,1,0,0,1,0|1,0,0]=3 2287 B10R1.11 CNCC(=O)c1ccsc1 34a_100102657272_100011219462 [0,1,0,0,1,0|1,0,0]=3 2288 B10R1.11 CNCC(=O)c1ccsc1 7a_106832991635_100011219462 [0,1,0,0,1,0|1,0,0]=3 2289 B10R1.11 CNCC(=O)c1nccs1 7a_106832991635_100000718653 [0,1,0,0,1,0|2,0,0]=4 2290 B10R1.11 CNCC(=O)n1cccn1 2230a_106832991635_100000077511 [0,1,0,0,1,0|2,0,0]=4 2291 B10R1.11 CNCC(=O)n1cccn1 7a_106832991635_100000077511 [0,1,0,0,1,0|2,0,0]=4 2292 B10R1.11 COCC(=O)c1ccsc1 34a_100138415774_100011219462 [0,1,0,0,1,0|2,0,0]=4 2293 B10R1.11 CSCC(=O)c1ccc[nH]1 62a_200000210301_200011262396 [0,1,0,0,1,0|2,0,0]=4 2294 B10R1.11 CSCC(=O)c1ccc[nH]1 62a_200011262396_200000210301 [0,1,0,0,1,0|2,0,0]=4 2295 B10R1.11 CSCC(=O)c1ccco1 62a_100000211439_200000210301 [0,1,0,0,1,0|2,0,0]=4 2296 B10R1.11 CSCC(=O)c1ccco1 62a_200000210301_100000211439 [0,1,0,0,1,0|2,0,0]=4 2297 B10R1.11 CSCC(=O)c1cccs1 62a_100000211436_200000210301 [0,1,0,0,1,0|2,0,0]=4 2298 B10R1.11 CSCC(=O)c1cccs1 62a_200000210301_100000211436 [0,1,0,0,1,0|2,0,0]=4 2299 B10R1.11 CSCC(=O)c1ccsc1 62a_100011219462_200000210301 [0,1,0,0,1,0|2,0,0]=4 2300 B10R1.11 CSCC(=O)c1ccsc1 62a_200000210301_100011219462 [0,1,0,0,1,0|2,0,0]=4 2301 B10R1.11 [13CH3]SCC(=O)c1ccc[nH]1 62a_200011262396_200025704644 [0,1,0,0,1,0|2,0,0]=4 2302 B10R1.11 [13CH3]SCC(=O)c1ccc[nH]1 62a_200025704644_200011262396 [0,1,0,0,1,0|2,0,0]=4 2303 B10R1.11 [13CH3]SCC(=O)c1ccco1 62a_100000211439_200025704644 [0,1,0,0,1,0|2,0,0]=4 2304 B10R1.11 [13CH3]SCC(=O)c1ccco1 62a_200025704644_100000211439 [0,1,0,0,1,0|2,0,0]=4 2305 B10R1.11 [13CH3]SCC(=O)c1cccs1 62a_100000211436_200025704644 [0,1,0,0,1,0|2,0,0]=4 2306 B10R1.11 [13CH3]SCC(=O)c1cccs1 62a_200025704644_100000211436 [0,1,0,0,1,0|2,0,0]=4 2307 B10R1.11 [13CH3]SCC(=O)c1ccsc1 62a_100011219462_200025704644 [0,1,0,0,1,0|2,0,0]=4 2308 B10R1.11 [13CH3]SCC(=O)c1ccsc1 62a_200025704644_100011219462 [0,1,0,0,1,0|2,0,0]=4 2309 B10R1.14 CCC(=O)c1ccc(s1)O 271570a_203496583355_200011203577 [0,1,0,0,1,0|2,0,0]=4 2310 B10R1.14 CNC(=O)c1ccc(o1)O 271570a_203496583355_100000159859 [0,1,0,0,1,0|1,0,0]=3 2311 B10R1.14 CNC(=O)c1ccc(s1)O 271570a_203496583355_200000155069 [0,1,0,0,1,0|1,0,0]=3 2312 B10R1.14 CNC(=O)c1csc(n1)O 271570a_203496583355_100010260535 [0,1,0,0,1,0|2,0,0]=4 2313 B10R1.14 COC(=O)c1c[nH]c(c1)O 271570a_203496583355_100009840242 [0,1,0,0,1,0|2,0,0]=4 2314 B10R1.14 COC(=O)c1cc(co1)O 271570a_203496583355_100009992624 [0,1,0,0,1,0|2,0,0]=4 2315 B10R1.14 COC(=O)c1cc(cs1)O 271570a_203496583355_100009815473 [0,1,0,0,1,0|2,0,0]=4 2316 B10R1.14 COC(=O)c1ccc([nH]1)O 271570a_203496583355_100000687774 [0,1,0,0,1,0|2,0,0]=4 2317 B10R1.14 COC(=O)c1ccc(o1)O 271570a_203496583355_100000148852 [0,1,0,0,1,0|2,0,0]=4 2318 B10R1.14 COC(=O)c1ccc(s1)O 271570a_203496583355_100000148107 [0,1,0,0,1,0|2,0,0]=4 2319 B10R1.14 COC(=O)c1csc(c1)O 271570a_203496583355_100000692058 [0,1,0,0,1,0|2,0,0]=4 2320 B10R1.14 NNC(=O)c1ccc(o1)O 271570a_203496583355_100000186364 [0,1,0,0,1,0|2,0,0]=4 2321 B10R1.14 NNC(=O)c1ccc(s1)O 271570a_203496583355_100000180196 [0,1,0,0,1,0|2,0,0]=4 2322 B10R1.149 COC(=O)c1[nH]ccc1O 271570a_203496583355_100102525103 [0,1,0,0,1,0|2,0,0]=4 2323 B10R1.149 COC(=O)c1ccoc1O 271570a_203496583355_100011935261 [0,1,0,0,1,0|2,0,0]=4 2324 B10R1.149 COC(=O)c1ccsc1O 271570a_203496583355_100009822520 [0,1,0,0,1,0|2,0,0]=4 2325 B10R1.149 COC(=O)c1cscc1O 271570a_203496583355_100012351140 [0,1,0,0,1,0|2,0,0]=4 2326 B10R1.149 COC(=O)c1occc1O 271570a_203496583355_100012676306 [0,1,0,0,1,0|2,0,0]=4 2327 B10R1.149 COC(=O)c1sccc1O 271570a_203496583355_100000730364 [0,1,0,0,1,0|2,0,0]=4 2328 B12R1.32 C#CCC(=O)Cc1ccccc1 1458a_100011220946_100015291786 [0,1,0,0,0,1|1,0,1]=4 2329 B12R1.32 C#CCC(=O)Nc1ccccc1 1626a_100000106764_100011220946 [0,1,0,0,0,1|1,0,1]=4 2330 B12R1.32 C#CCC(=O)Nc1ccccc1 527a_100000106764_100011220946 [0,1,0,0,0,1|1,0,1]=4 2331 B12R1.32 C/C(=C\c1ccccc1)/CO[13CH3] 34a_200025717232_200025704644 [0,1,0,0,0,1|2,0,0]=4 2332 B12R1.32 C/C(=C\c1ccccc1)/CO[13CH3] 7a_200025717232_200025704644 [0,1,0,0,0,1|2,0,0]=4 2333 B12R1.32 C=CCC(=O)Cc1ccccc1 1458a_100000210193_100015291786 [0,1,0,0,0,1|1,0,1]=4 2334 B12R1.32 C=CCC(=O)Nc1ccccc1 11a_100000106764_100000210193 [0,1,0,0,0,1|1,0,1]=4 2335 B12R1.32 C=CCC(=O)Nc1ccccc1 1626a_100000106764_100000210193 [0,1,0,0,0,1|1,0,1]=4 2336 B12R1.32 C=CCC(=O)Nc1ccccc1 22a_100000106764_100000210193 [0,1,0,0,0,1|1,0,1]=4 2337 B12R1.32 C=CCC(=O)Nc1ccccc1 527a_100000106764_100000210193 [0,1,0,0,0,1|1,0,1]=4 2338 B12R1.32 CC#CC(=O)Cc1ccccc1 1458a_100000763181_100015291786 [0,1,0,0,0,1|1,0,0]=3 2339 B12R1.32 CC#CC(=O)Cc1ccccn1 1458a_100000763181_100000721315 [0,1,0,0,0,1|2,0,0]=4 2340 B12R1.32 CC#CC(=O)Cc1cccnc1 1458a_100000763181_100000733263 [0,1,0,0,0,1|2,0,0]=4 2341 B12R1.32 CC#CC(=O)Cc1ccncc1 1458a_100000763181_100000705612 [0,1,0,0,0,1|2,0,0]=4 2342 B12R1.32 CC#CC(=O)Nc1ccccc1 22a_100000106764_100000763181 [0,1,0,0,0,1|1,0,0]=3 2343 B12R1.32 CC(CN[13CH3])Oc1ccccc1 2230a_100000755676_200025704644 [0,1,0,0,0,1|1,0,1]=4 2344 B12R1.32 CC(CN[13CH3])Oc1ccccc1 34a_100000755676_200025704644 [0,1,0,0,0,1|1,0,1]=4 2345 B12R1.32 CC=CC(=O)Cc1ccccc1 1458a_100000210699_100015291786 [0,1,0,0,0,1|1,0,0]=3 2346 B12R1.32 CC=CC(=O)Cc1ccccn1 1458a_100000210699_100000721315 [0,1,0,0,0,1|2,0,0]=4 2347 B12R1.32 CC=CC(=O)Cc1cccnc1 1458a_100000210699_100000733263 [0,1,0,0,0,1|2,0,0]=4 2348 B12R1.32 CC=CC(=O)Cc1ccncc1 1458a_100000210699_100000705612 [0,1,0,0,0,1|2,0,0]=4 2349 B12R1.32 CC=CC(=O)Nc1ccccc1 11a_100000106764_100000210699 [0,1,0,0,0,1|1,0,0]=3 2350 B12R1.32 CC=CC(=O)Nc1ccccc1 1626a_100000106764_100000210699 [0,1,0,0,0,1|1,0,0]=3 2351 B12R1.32 CC=CC(=O)Nc1ccccc1 22a_100000106764_100000210699 [0,1,0,0,0,1|1,0,0]=3 2352 B12R1.32 CCCC(=O)C[n+]1ccccc1 1458a_200000086051_100000210303 [0,1,0,0,0,1|2,0,0]=4 2353 B12R1.32 CCCC(=O)Cc1ccccc1 1458a_100000211992_100015291786 [0,1,0,0,0,1|1,0,0]=3 2354 B12R1.32 CCCC(=O)Cc1ccccn1 1458a_100000211992_100000721315 [0,1,0,0,0,1|2,0,0]=4 2355 B12R1.32 CCCC(=O)Cc1ccccn1 1458a_100000233486_100000210303 [0,1,0,0,0,1|2,0,0]=4 2356 B12R1.32 CCCC(=O)Cc1cccnc1 1458a_100000211992_100000733263 [0,1,0,0,0,1|2,0,0]=4 2357 B12R1.32 CCCC(=O)Cc1cccnc1 1458a_100000737805_100000210303 [0,1,0,0,0,1|2,0,0]=4 2358 B12R1.32 CCCC(=O)Cc1ccncc1 1458a_100000211992_100000705612 [0,1,0,0,0,1|2,0,0]=4 2359 B12R1.32 CCCC(=O)Nc1ccccc1 11a_100000106764_100000211992 [0,1,0,0,0,1|1,0,0]=3 2360 B12R1.32 CCCC(=O)Nc1ccccc1 1626a_100000106764_100000211992 [0,1,0,0,0,1|1,0,0]=3 2361 B12R1.32 CCCC(=O)Nc1ccccc1 22a_100000106764_100000211992 [0,1,0,0,0,1|1,0,0]=3 2362 B12R1.32 CCCC(=O)Nc1ccccc1 527a_100000106764_100000211992 [0,1,0,0,0,1|1,0,0]=3 2363 B12R1.32 CCNC(=O)C[n+]1ccccc1 11a_100015525214_200000086051 [0,1,0,0,0,1|1,0,0]=3 2364 B12R1.32 CCNC(=O)C[n+]1ccccc1 240690a_100015525214_200000086051 [0,1,0,0,0,1|1,0,0]=3 2365 B12R1.32 CCNC(=O)C[n+]1ccccc1 527a_100015525214_200000086051 [0,1,0,0,0,1|1,0,0]=3 2366 B12R1.32 CCNC(=O)Cc1ccccn1 11a_100015525214_100000233486 [0,1,0,0,0,1|1,0,0]=3 2367 B12R1.32 CCNC(=O)Cc1cccnc1 11a_100015525214_100000737805 [0,1,0,0,0,1|1,0,0]=3 2368 B12R1.32 CCNC(=O)Cc1cccnc1 240690a_100015525214_100000737805 [0,1,0,0,0,1|1,0,0]=3 2369 B12R1.32 CCNC(=O)Cc1cccnc1 527a_100015525214_100000737805 [0,1,0,0,0,1|1,0,0]=3 2370 B12R1.32 CCNC(=O)Cc1ccncc1 11a_100015525214_100011201483 [0,1,0,0,0,1|1,0,0]=3 2371 B12R1.32 CCNC(=O)Cc1ccncc1 240690a_100015525214_100011201483 [0,1,0,0,0,1|1,0,0]=3 2372 B12R1.32 CCNC(=O)Cc1cnccn1 11a_100015525214_100000726051 [0,1,0,0,0,1|2,0,0]=4 2373 B12R1.32 CCNC(=O)Cc1cnccn1 240690a_100015525214_100000726051 [0,1,0,0,0,1|2,0,0]=4 2374 B12R1.32 CCNC(=O)Cc1cnccn1 527a_100015525214_100000726051 [0,1,0,0,0,1|2,0,0]=4 2375 B12R1.32 CCNC(=O)Cc1cncnc1 11a_100015525214_100000721575 [0,1,0,0,0,1|2,0,0]=4 2376 B12R1.32 CCNC(=O)Cc1cncnc1 240690a_100015525214_100000721575 [0,1,0,0,0,1|2,0,0]=4 2377 B12R1.32 CCNC(=O)Cc1cncnc1 527a_100015525214_100000721575 [0,1,0,0,0,1|2,0,0]=4 2378 B12R1.32 CCNC(=O)Nc1ccccc1 2430a_100000106764_100015525214 [0,1,0,0,0,1|0,0,0]=2 2379 B12R1.32 CNCC(=O)Cc1ccccc1 2230a_106832991635_100000233483 [0,1,0,0,0,1|0,0,0]=2 2380 B12R1.32 CNCC(=O)Cc1ccccc1 7a_106832991635_100000233483 [0,1,0,0,0,1|0,0,0]=2 2381 B12R1.32 CNCC(=O)Nc1ccccc1 2230a_106832991635_100000182850 [0,1,0,0,0,1|0,0,0]=2 2382 B12R1.32 CNCC(=O)Nc1ccccc1 34a_100102657272_100000182850 [0,1,0,0,0,1|0,0,0]=2 2383 B12R1.32 CNCC(=O)Nc1ccccc1 7a_106832991635_100000182850 [0,1,0,0,0,1|0,0,0]=2 2384 B12R1.32 CNCC(=O)Nc1ccccn1 2230a_106832991635_100020662008 [0,1,0,0,0,1|1,0,0]=3 2385 B12R1.32 CNCC(=O)Nc1ccccn1 7a_106832991635_100020662008 [0,1,0,0,0,1|1,0,0]=3 2386 B12R1.32 CNCC(=O)Nc1ccncc1 2230a_106832991635_100000754145 [0,1,0,0,0,1|1,0,0]=3 2387 B12R1.32 CNCC(=O)Nc1ccncc1 7a_106832991635_100000754145 [0,1,0,0,0,1|1,0,0]=3 2388 B12R1.32 CNCC(=O)Nc1ncccn1 7a_106832991635_100000183248 [0,1,0,0,0,1|2,0,0]=4 2389 B12R1.32 CNCC(=O)Oc1ccccc1 2230a_106832991635_100009813826 [0,1,0,0,0,1|0,0,0]=2 2390 B12R1.32 CNCC(=O)Oc1ccccc1 34a_100102657272_100009813826 [0,1,0,0,0,1|0,0,0]=2 2391 B12R1.32 CNCC(=O)Oc1ccccc1 7a_106832991635_100009813826 [0,1,0,0,0,1|0,0,0]=2 2392 B12R1.32 CNCC(C)Oc1ccccc1 2230a_100000755676_200000210301 [0,1,0,0,0,1|1,0,1]=4 2393 B12R1.32 CNCC(C)Oc1ccccc1 34a_100000755676_200000210301 [0,1,0,0,0,1|1,0,1]=4 2394 B12R1.32 CNCC(O)Cc1ccccc1 2230a_100000752270_200000210301 [0,1,0,0,0,1|0,0,2]=4 2395 B12R1.32 CNC[C@@H](O)Cc1ccccc1 2230a_106832991635_100000729385 [0,1,0,0,0,1|0,0,2]=4 2396 B12R1.32 CNC[C@@H](O)Cc1ccccc1 34a_100102657272_100000729385 [0,1,0,0,0,1|0,0,2]=4 2397 B12R1.32 CNC[C@@H](O)Cc1ccccc1 7a_106832991635_100000729385 [0,1,0,0,0,1|0,0,2]=4 2398 B12R1.32 CNNC(=O)C[n+]1ccccc1 22a_100016993582_200000086051 [0,1,0,0,0,1|1,0,0]=3 2399 B12R1.32 CNNC(=O)Cc1ccccn1 22a_100016993582_100000233486 [0,1,0,0,0,1|1,0,0]=3 2400 B12R1.32 CNNC(=O)Cc1cccnc1 22a_100016993582_100000737805 [0,1,0,0,0,1|1,0,0]=3 2401 B12R1.32 CNNC(=O)Cc1ccncc1 22a_100016993582_100011201483 [0,1,0,0,0,1|1,0,0]=3 2402 B12R1.32 CNNC(=O)Cc1cnccn1 22a_100016993582_100000726051 [0,1,0,0,0,1|2,0,0]=4 2403 B12R1.32 CNNC(=O)Cc1cncnc1 22a_100016993582_100000721575 [0,1,0,0,0,1|2,0,0]=4 2404 B12R1.32 COC/C(=C/c1ccccc1)/C 34a_200025717232_200000210301 [0,1,0,0,0,1|2,0,0]=4 2405 B12R1.32 COC/C(=C/c1ccccc1)/C 7a_200025717232_200000210301 [0,1,0,0,0,1|2,0,0]=4 2406 B12R1.32 COCC(=O)Cc1ccccc1 1458a_100000210968_100015291786 [0,1,0,0,0,1|1,0,0]=3 2407 B12R1.32 COCC(=O)Cc1ccccn1 1458a_100000210968_100000721315 [0,1,0,0,0,1|2,0,0]=4 2408 B12R1.32 COCC(=O)Cc1cccnc1 1458a_100000210968_100000733263 [0,1,0,0,0,1|2,0,0]=4 2409 B12R1.32 COCC(=O)Cc1ccncc1 1458a_100000210968_100000705612 [0,1,0,0,0,1|2,0,0]=4 2410 B12R1.32 COCC(=O)Nc1ccccc1 11a_100000106764_100000210968 [0,1,0,0,0,1|1,0,0]=3 2411 B12R1.32 COCC(=O)Nc1ccccc1 1626a_100000106764_100000210968 [0,1,0,0,0,1|1,0,0]=3 2412 B12R1.32 COCC(=O)Nc1ccccc1 22a_100000106764_100000210968 [0,1,0,0,0,1|1,0,0]=3 2413 B12R1.32 COCC(=O)Nc1ccccc1 34a_100000246334_200000210301 [0,1,0,0,0,1|1,0,0]=3 2414 B12R1.32 COCC(=O)Nc1ccccc1 34a_100138415774_100000182850 [0,1,0,0,0,1|1,0,0]=3 2415 B12R1.32 COCC(=O)Nc1ccccc1 527a_100000106764_100000210968 [0,1,0,0,0,1|1,0,0]=3 2416 B12R1.32 COCC(=O)Oc1ccccc1 34a_100138415774_100009813826 [0,1,0,0,0,1|1,0,0]=3 2417 B12R1.32 CSCC(=O)Cc1ccccc1 1458a_100000184570_100015291786 [0,1,0,0,0,1|1,0,0]=3 2418 B12R1.32 CSCC(=O)Cc1ccccc1 62a_100000233483_200000210301 [0,1,0,0,0,1|1,0,0]=3 2419 B12R1.32 CSCC(=O)Cc1ccccc1 62a_200000210301_100000233483 [0,1,0,0,0,1|1,0,0]=3 2420 B12R1.32 CSCC(=O)Cc1ccccn1 1458a_100000184570_100000721315 [0,1,0,0,0,1|2,0,0]=4 2421 B12R1.32 CSCC(=O)Cc1cccnc1 1458a_100000184570_100000733263 [0,1,0,0,0,1|2,0,0]=4 2422 B12R1.32 CSCC(=O)Cc1ccncc1 1458a_100000184570_100000705612 [0,1,0,0,0,1|2,0,0]=4 2423 B12R1.32 CSCC(=O)Nc1ccccc1 11a_100000106764_100000184570 [0,1,0,0,0,1|1,0,0]=3 2424 B12R1.32 CSCC(=O)Nc1ccccc1 1626a_100000106764_100000184570 [0,1,0,0,0,1|1,0,0]=3 2425 B12R1.32 CSCC(=O)Nc1ccccc1 22a_100000106764_100000184570 [0,1,0,0,0,1|1,0,0]=3 2426 B12R1.32 CSCC(=O)Nc1ccccc1 527a_100000106764_100000184570 [0,1,0,0,0,1|1,0,0]=3 2427 B12R1.32 CSCC(=O)Nc1ccccc1 62a_100012148978_200000210301 [0,1,0,0,0,1|1,0,0]=3 2428 B12R1.32 CSCC(=O)Nc1ccccc1 62a_200000210301_100000182850 [0,1,0,0,0,1|1,0,0]=3 2429 B12R1.32 CSCC(=O)Nc1ccccn1 62a_100020662008_200000210301 [0,1,0,0,0,1|2,0,0]=4 2430 B12R1.32 CSCC(=O)Nc1ccccn1 62a_200000210301_100020662008 [0,1,0,0,0,1|2,0,0]=4 2431 B12R1.32 CSCC(=O)Nc1ccncc1 62a_200000210301_100000754145 [0,1,0,0,0,1|2,0,0]=4 2432 B12R1.32 CSCC(=O)Oc1ccccc1 62a_100009813826_200000210301 [0,1,0,0,0,1|1,0,0]=3 2433 B12R1.32 CSCC(=O)Oc1ccccc1 62a_200000210301_100009813826 [0,1,0,0,0,1|1,0,0]=3 2434 B12R1.32 N#CCC(=O)Cc1ccccc1 1458a_100051588842_100015291786 [0,1,0,0,0,1|1,0,1]=4 2435 B12R1.32 N#CCC(=O)Nc1ccccc1 1626a_100000106764_100051588842 [0,1,0,0,0,1|1,0,1]=4 2436 B12R1.32 N#CCC(=O)Nc1ccccc1 22a_100000106764_100051588842 [0,1,0,0,0,1|1,0,1]=4 2437 B12R1.32 O=C(C=CBr)Cc1ccccc1 1458a_100016273825_100015291786 [0,1,0,0,0,1|1,0,1]=4 2438 B12R1.32 O=C(C=CBr)Nc1ccccc1 1626a_100000106764_100016273825 [0,1,0,0,0,1|1,0,1]=4 2439 B12R1.32 O=C(C=CCl)Cc1ccccc1 1458a_200016279998_100015291786 [0,1,0,0,0,1|1,0,1]=4 2440 B12R1.32 O=C(C=CCl)Nc1ccccc1 11a_100000106764_200016279998 [0,1,0,0,0,1|1,0,1]=4 2441 B12R1.32 O=C(C=CCl)Nc1ccccc1 1626a_100000106764_200016279998 [0,1,0,0,0,1|1,0,1]=4 2442 B12R1.32 O=C(C=CI)Cc1ccccc1 1458a_100016256311_100015291786 [0,1,0,0,0,1|1,0,1]=4 2443 B12R1.32 O=C(C=CI)Nc1ccccc1 1626a_100000106764_100016256311 [0,1,0,0,0,1|1,0,1]=4 2444 B12R1.32 O=C(CCF)C[n+]1ccccc1 1458a_200000086051_100011217306 [0,1,0,0,0,1|2,0,0]=4 2445 B12R1.32 O=C(CCF)Cc1ccccn1 1458a_100000233486_100011217306 [0,1,0,0,0,1|2,0,0]=4 2446 B12R1.32 O=C(CCF)Cc1cccnc1 1458a_100000737805_100011217306 [0,1,0,0,0,1|2,0,0]=4 2447 B12R1.32 O=C(CCO)C[n+]1ccccc1 1458a_200000086051_100000211926 [0,1,0,0,0,1|2,0,0]=4 2448 B12R1.32 O=C(CCO)Cc1ccccc1 1458a_100011216618_100015291786 [0,1,0,0,0,1|1,0,0]=3 2449 B12R1.32 O=C(CCO)Cc1ccccn1 1458a_100000233486_100000211926 [0,1,0,0,0,1|2,0,0]=4 2450 B12R1.32 O=C(CCO)Cc1ccccn1 1458a_100011216618_100000721315 [0,1,0,0,0,1|2,0,0]=4 2451 B12R1.32 O=C(CCO)Cc1cccnc1 1458a_100000737805_100000211926 [0,1,0,0,0,1|2,0,0]=4 2452 B12R1.32 O=C(CCO)Cc1cccnc1 1458a_100011216618_100000733263 [0,1,0,0,0,1|2,0,0]=4 2453 B12R1.32 O=C(CCO)Cc1ccncc1 1458a_100011216618_100000705612 [0,1,0,0,0,1|2,0,0]=4 2454 B12R1.32 O=C(CCO)Nc1ccccc1 22a_100000106764_100011216618 [0,1,0,0,0,1|1,0,0]=3 2455 B12R1.32 [13CH3]NCC(O)Cc1ccccc1 2230a_100000752270_200025704644 [0,1,0,0,0,1|0,0,2]=4 2456 B12R1.32 [13CH3]OCC(=O)Nc1ccccc1 34a_100000246334_200025704644 [0,1,0,0,0,1|1,0,0]=3 2457 B12R1.32 [13CH3]SCC(=O)Cc1ccccc1 62a_100000233483_200025704644 [0,1,0,0,0,1|1,0,0]=3 2458 B12R1.32 [13CH3]SCC(=O)Cc1ccccc1 62a_200025704644_100000233483 [0,1,0,0,0,1|1,0,0]=3 2459 B12R1.32 [13CH3]SCC(=O)Nc1ccccc1 62a_100012148978_200025704644 [0,1,0,0,0,1|1,0,0]=3 2460 B12R1.32 [13CH3]SCC(=O)Nc1ccccc1 62a_200025704644_100000182850 [0,1,0,0,0,1|1,0,0]=3 2461 B12R1.32 [13CH3]SCC(=O)Nc1ccccn1 62a_100020662008_200025704644 [0,1,0,0,0,1|2,0,0]=4 2462 B12R1.32 [13CH3]SCC(=O)Nc1ccccn1 62a_200025704644_100020662008 [0,1,0,0,0,1|2,0,0]=4 2463 B12R1.32 [13CH3]SCC(=O)Nc1ccncc1 62a_200025704644_100000754145 [0,1,0,0,0,1|2,0,0]=4 2464 B12R1.32 [13CH3]SCC(=O)Oc1ccccc1 62a_100009813826_200025704644 [0,1,0,0,0,1|1,0,0]=3 2465 B12R1.32 [13CH3]SCC(=O)Oc1ccccc1 62a_200025704644_100009813826 [0,1,0,0,0,1|1,0,0]=3 2466 B12R1.34 C#CC(=O)C(C)c1ccccc1 1458a_100000211873_100000230085 [0,1,0,0,0,1|1,0,1]=4 2467 B12R1.34 C=C(C(=O)CC)c1ccccc1 1458a_100000065200_100000210202 [0,1,0,0,0,1|1,0,0]=3 2468 B12R1.34 C=C(C(=O)CF)c1ccccc1 1458a_100000065200_100015361967 [0,1,0,0,0,1|2,0,0]=4 2469 B12R1.34 C=C(C(=O)NC)c1ccccc1 1626a_100102657272_100000065200 [0,1,0,0,0,1|0,0,0]=2 2470 B12R1.34 C=CC(=O)C(C)c1ccccc1 1458a_100000185746_100000230085 [0,1,0,0,0,1|1,0,1]=4 2471 B12R1.34 C=CC(=O)N(C)c1ccccc1 1626a_100000210012_100000185746 [0,1,0,0,0,1|1,0,1]=4 2472 B12R1.34 C=CC(=O)N(C)c1ccccc1 22a_100000210012_100000185746 [0,1,0,0,0,1|1,0,1]=4 2473 B12R1.34 CC(C(=O)CO)c1ccccc1 1458a_100000210174_100000230085 [0,1,0,0,0,1|2,0,0]=4 2474 B12R1.34 CCC(=O)C(C)c1ccccc1 1458a_100000210414_100000230085 [0,1,0,0,0,1|1,0,0]=3 2475 B12R1.34 CCC(=O)C(C)c1ccccn1 1458a_100000722050_100000210202 [0,1,0,0,0,1|2,0,0]=4 2476 B12R1.34 CCC(=O)C(F)c1ccccc1 1458a_100000698975_100000210202 [0,1,0,0,0,1|1,0,0]=3 2477 B12R1.34 CCC(=O)N(C)c1ccccc1 11a_100000210012_100000210414 [0,1,0,0,0,1|1,0,0]=3 2478 B12R1.34 CCC(=O)N(C)c1ccccc1 1626a_100000210012_100000210414 [0,1,0,0,0,1|1,0,0]=3 2479 B12R1.34 CCC(=O)N(C)c1ccccc1 22a_100000210012_100000210414 [0,1,0,0,0,1|1,0,0]=3 2480 B12R1.34 CCC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_100000210202 [0,1,0,0,0,1|1,0,0]=3 2481 B12R1.34 CCC(=O)[C@H](O)c1ccccc1 1458a_100000684486_100000210202 [0,1,0,0,0,1|1,0,0]=3 2482 B12R1.34 CN(C(=O)CO)c1ccccc1 22a_100000210012_100000210174 [0,1,0,0,0,1|2,0,0]=4 2483 B12R1.34 CNC(=O)C(C)c1ccccn1 11a_106832991635_100000722050 [0,1,0,0,0,1|1,0,0]=3 2484 B12R1.34 CNC(=O)C(C)c1ccccn1 1626a_100102657272_100000722050 [0,1,0,0,0,1|1,0,0]=3 2485 B12R1.34 CNC(=O)C(C)c1ccccn1 240690a_100102657272_100000722050 [0,1,0,0,0,1|1,0,0]=3 2486 B12R1.34 CNC(=O)C(C)c1ccccn1 527a_100102657272_100000722050 [0,1,0,0,0,1|1,0,0]=3 2487 B12R1.34 CNC(=O)C(C)c1ncccn1 11a_106832991635_100011934538 [0,1,0,0,0,1|2,0,0]=4 2488 B12R1.34 CNC(=O)C(C)c1ncccn1 240690a_100102657272_100011934538 [0,1,0,0,0,1|2,0,0]=4 2489 B12R1.34 CNC(=O)C(C)c1ncccn1 527a_100102657272_100011934538 [0,1,0,0,0,1|2,0,0]=4 2490 B12R1.34 CNC(=O)C(F)c1ccccc1 11a_106832991635_100000698975 [0,1,0,0,0,1|0,0,0]=2 2491 B12R1.34 CNC(=O)C(F)c1ccccc1 1626a_100102657272_100000698975 [0,1,0,0,0,1|0,0,0]=2 2492 B12R1.34 CNC(=O)C(F)c1ccccc1 240690a_100102657272_100000698975 [0,1,0,0,0,1|0,0,0]=2 2493 B12R1.34 CNC(=O)C(F)c1ccccc1 527a_100102657272_100000698975 [0,1,0,0,0,1|0,0,0]=2 2494 B12R1.34 CNC(=O)N(C)c1ccccc1 512a_106832991638_100000210012 [0,1,0,0,0,1|0,0,0]=2 2495 B12R1.34 CNC(=O)[C@@H](C)c1ccccc1 11a_106832991635_100000751047 [0,1,0,0,0,1|0,0,0]=2 2496 B12R1.34 CNC(=O)[C@@H](C)c1ccccc1 1626a_100102657272_100000751047 [0,1,0,0,0,1|0,0,0]=2 2497 B12R1.34 CNC(=O)[C@@H](C)c1ccccc1 240690a_100102657272_100000751047 [0,1,0,0,0,1|0,0,0]=2 2498 B12R1.34 CNC(=O)[C@@H](C)c1ccccc1 527a_100102657272_100000751047 [0,1,0,0,0,1|0,0,0]=2 2499 B12R1.34 CNC(=O)[C@H](O)c1ccccc1 240690a_100102657272_100000684486 [0,1,0,0,0,1|0,0,0]=2 2500 B12R1.34 CNC(C)C(=O)c1ccccc1 2230a_106832991635_100000239700 [0,1,0,0,0,1|1,0,1]=4 2501 B12R1.34 CNC(C)C(=O)c1ccccc1 7a_106832991635_100000239700 [0,1,0,0,0,1|1,0,1]=4 2502 B12R1.34 C[C@H](C(=O)CF)c1ccccc1 1458a_100000751047_100015361967 [0,1,0,0,0,1|2,0,0]=4 2503 B12R1.34 O=C(CF)C(F)c1ccccc1 1458a_100000698975_100015361967 [0,1,0,0,0,1|2,0,0]=4 2504 B12R1.34 O=C(CF)[C@H](O)c1ccccc1 1458a_100000684486_100015361967 [0,1,0,0,0,1|2,0,0]=4 2505 B12R1.43 C/C(=C\c1ccccc1)/C(=O)[13CH3] 1458a_100016990649_200025704644 [0,1,0,0,0,1|2,0,0]=4 2506 B12R1.43 C=C(Br)C(=O)Nc1ccccc1 11a_100000106764_100009813364 [0,1,0,0,0,1|1,0,1]=4 2507 B12R1.43 C=C(Br)C(=O)Nc1ccccc1 1626a_100000106764_100009813364 [0,1,0,0,0,1|1,0,1]=4 2508 B12R1.43 C=C(C)C(=O)Cc1ccccc1 1458a_100000185857_100015291786 [0,1,0,0,0,1|1,0,0]=3 2509 B12R1.43 C=C(C)C(=O)Cc1ccccn1 1458a_100000185857_100000721315 [0,1,0,0,0,1|2,0,0]=4 2510 B12R1.43 C=C(C)C(=O)Cc1cccnc1 1458a_100000185857_100000733263 [0,1,0,0,0,1|2,0,0]=4 2511 B12R1.43 C=C(C)C(=O)Cc1ccncc1 1458a_100000185857_100000705612 [0,1,0,0,0,1|2,0,0]=4 2512 B12R1.43 C=C(C)C(=O)Nc1ccccc1 11a_100000106764_100000185857 [0,1,0,0,0,1|1,0,0]=3 2513 B12R1.43 C=C(C)C(=O)Nc1ccccc1 1626a_100000106764_100000185857 [0,1,0,0,0,1|1,0,0]=3 2514 B12R1.43 C=C(C)C(=O)Nc1ccccc1 22a_100000106764_100000185857 [0,1,0,0,0,1|1,0,0]=3 2515 B12R1.43 C=C(Cl)C(=O)Nc1ccccc1 11a_100000106764_100000039160 [0,1,0,0,0,1|1,0,1]=4 2516 B12R1.43 C=C(Cl)C(=O)Nc1ccccc1 1626a_100000106764_100000039160 [0,1,0,0,0,1|1,0,1]=4 2517 B12R1.43 C=C(Cl)C(=O)Nc1ccccc1 22a_100000106764_100000039160 [0,1,0,0,0,1|1,0,1]=4 2518 B12R1.43 C=C(F)C(=O)Nc1ccccc1 11a_100000106764_100000036797 [0,1,0,0,0,1|1,0,1]=4 2519 B12R1.43 C=C(F)C(=O)Nc1ccccc1 1626a_100000106764_100000036797 [0,1,0,0,0,1|1,0,1]=4 2520 B12R1.43 C=C(F)C(=O)Nc1ccccc1 22a_100000106764_100000036797 [0,1,0,0,0,1|1,0,1]=4 2521 B12R1.43 CC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_200000210301 [0,1,0,0,0,1|2,0,0]=4 2522 B12R1.43 CC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_200000210301 [0,1,0,0,0,1|2,0,0]=4 2523 B12R1.43 CC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_200000210301 [0,1,0,0,0,1|2,0,0]=4 2524 B12R1.43 CC(=O)C(=O)Nc1ccccc1 1458a_100000738435_200000210301 [0,1,0,0,0,1|1,0,0]=3 2525 B12R1.43 CC(C)C(=O)C[n+]1ccccc1 1458a_200000086051_100000210206 [0,1,0,0,0,1|2,0,0]=4 2526 B12R1.43 CC(C)C(=O)Cc1ccccc1 1458a_100000210198_100015291786 [0,1,0,0,0,1|1,0,0]=3 2527 B12R1.43 CC(C)C(=O)Cc1ccccn1 1458a_100000210198_100000721315 [0,1,0,0,0,1|2,0,0]=4 2528 B12R1.43 CC(C)C(=O)Cc1ccccn1 1458a_100000233486_100000210206 [0,1,0,0,0,1|2,0,0]=4 2529 B12R1.43 CC(C)C(=O)Cc1cccnc1 1458a_100000210198_100000733263 [0,1,0,0,0,1|2,0,0]=4 2530 B12R1.43 CC(C)C(=O)Cc1cccnc1 1458a_100000737805_100000210206 [0,1,0,0,0,1|2,0,0]=4 2531 B12R1.43 CC(C)C(=O)Cc1ccncc1 1458a_100000210198_100000705612 [0,1,0,0,0,1|2,0,0]=4 2532 B12R1.43 CC(C)C(=O)Nc1ccccc1 11a_100000106764_100000210198 [0,1,0,0,0,1|1,0,0]=3 2533 B12R1.43 CC(C)C(=O)Nc1ccccc1 1626a_100000106764_100000210198 [0,1,0,0,0,1|1,0,0]=3 2534 B12R1.43 CC(C)C(=O)Nc1ccccc1 22a_100000106764_100000210198 [0,1,0,0,0,1|1,0,0]=3 2535 B12R1.43 CC(C)C(=O)Nc1ccccc1 527a_100000106764_100000210198 [0,1,0,0,0,1|1,0,0]=3 2536 B12R1.43 CC(Cc1ccccc1)N(C)C 269982a_100102631434_200011218536 [0,1,0,0,0,1|1,0,1]=4 2537 B12R1.43 CC(F)C(=O)Cc1ccccc1 1458a_100000062450_100015291786 [0,1,0,0,0,1|1,0,0]=3 2538 B12R1.43 CC(F)C(=O)Cc1ccccn1 1458a_100000062450_100000721315 [0,1,0,0,0,1|2,0,0]=4 2539 B12R1.43 CC(F)C(=O)Cc1cccnc1 1458a_100000062450_100000733263 [0,1,0,0,0,1|2,0,0]=4 2540 B12R1.43 CC(F)C(=O)Cc1ccncc1 1458a_100000062450_100000705612 [0,1,0,0,0,1|2,0,0]=4 2541 B12R1.43 CC(F)C(=O)Nc1ccccc1 11a_100000106764_100000062450 [0,1,0,0,0,1|1,0,0]=3 2542 B12R1.43 CC(F)C(=O)Nc1ccccc1 1626a_100000106764_100000062450 [0,1,0,0,0,1|1,0,0]=3 2543 B12R1.43 CC(F)C(=O)Nc1ccccc1 22a_100000106764_100000062450 [0,1,0,0,0,1|1,0,0]=3 2544 B12R1.43 CC(F)C(=O)Nc1ccccc1 527a_100000106764_100000062450 [0,1,0,0,0,1|1,0,0]=3 2545 B12R1.43 CN(C)C(=O)C[n+]1ccccc1 11a_100102631434_200000086051 [0,1,0,0,0,1|1,0,0]=3 2546 B12R1.43 CN(C)C(=O)C[n+]1ccccc1 240690a_100102631434_200000086051 [0,1,0,0,0,1|1,0,0]=3 2547 B12R1.43 CN(C)C(=O)C[n+]1ccccc1 527a_100102631434_200000086051 [0,1,0,0,0,1|1,0,0]=3 2548 B12R1.43 CN(C)C(=O)Cc1ccccn1 11a_100102631434_100000233486 [0,1,0,0,0,1|1,0,0]=3 2549 B12R1.43 CN(C)C(=O)Cc1cccnc1 11a_100102631434_100000737805 [0,1,0,0,0,1|1,0,0]=3 2550 B12R1.43 CN(C)C(=O)Cc1cccnc1 240690a_100102631434_100000737805 [0,1,0,0,0,1|1,0,0]=3 2551 B12R1.43 CN(C)C(=O)Cc1cccnc1 527a_100102631434_100000737805 [0,1,0,0,0,1|1,0,0]=3 2552 B12R1.43 CN(C)C(=O)Cc1ccncc1 11a_100102631434_100011201483 [0,1,0,0,0,1|1,0,0]=3 2553 B12R1.43 CN(C)C(=O)Cc1ccncc1 240690a_100102631434_100011201483 [0,1,0,0,0,1|1,0,0]=3 2554 B12R1.43 CN(C)C(=O)Cc1cnccn1 11a_100102631434_100000726051 [0,1,0,0,0,1|2,0,0]=4 2555 B12R1.43 CN(C)C(=O)Cc1cnccn1 240690a_100102631434_100000726051 [0,1,0,0,0,1|2,0,0]=4 2556 B12R1.43 CN(C)C(=O)Cc1cnccn1 527a_100102631434_100000726051 [0,1,0,0,0,1|2,0,0]=4 2557 B12R1.43 CN(C)C(=O)Cc1cncnc1 11a_100102631434_100000721575 [0,1,0,0,0,1|2,0,0]=4 2558 B12R1.43 CN(C)C(=O)Cc1cncnc1 240690a_100102631434_100000721575 [0,1,0,0,0,1|2,0,0]=4 2559 B12R1.43 CN(C)C(=O)Cc1cncnc1 527a_100102631434_100000721575 [0,1,0,0,0,1|2,0,0]=4 2560 B12R1.43 CN(C)C(=O)Nc1ccccc1 2430a_100000106764_100102631434 [0,1,0,0,0,1|0,0,0]=2 2561 B12R1.43 C[C@@H](O)C(=O)Cc1ccccc1 1458a_100000717761_100015291786 [0,1,0,0,0,1|1,0,0]=3 2562 B12R1.43 C[C@@H](O)C(=O)Cc1ccccn1 1458a_100000717761_100000721315 [0,1,0,0,0,1|2,0,0]=4 2563 B12R1.43 C[C@@H](O)C(=O)Cc1cccnc1 1458a_100000717761_100000733263 [0,1,0,0,0,1|2,0,0]=4 2564 B12R1.43 C[C@@H](O)C(=O)Cc1ccncc1 1458a_100000717761_100000705612 [0,1,0,0,0,1|2,0,0]=4 2565 B12R1.43 C[C@@H](O)C(=O)Nc1ccccc1 22a_100000106764_100000717761 [0,1,0,0,0,1|1,0,0]=3 2566 B12R1.43 C[C@H](O)C(=O)Cc1ccccc1 1458a_217856618621_100015291786 [0,1,0,0,0,1|1,0,0]=3 2567 B12R1.43 C[C@H](O)C(=O)Cc1ccccn1 1458a_217856618621_100000721315 [0,1,0,0,0,1|2,0,0]=4 2568 B12R1.43 C[C@H](O)C(=O)Cc1cccnc1 1458a_217856618621_100000733263 [0,1,0,0,0,1|2,0,0]=4 2569 B12R1.43 C[C@H](O)C(=O)Cc1ccncc1 1458a_217856618621_100000705612 [0,1,0,0,0,1|2,0,0]=4 2570 B12R1.43 C[C@H](O)C(=O)Nc1ccccc1 1626a_100000106764_217856618621 [0,1,0,0,0,1|1,0,0]=3 2571 B12R1.43 C[C@H](O)C(=O)Nc1ccccc1 22a_100000106764_217856618621 [0,1,0,0,0,1|1,0,0]=3 2572 B12R1.43 NC(=O)C(=O)Nc1ccccc1 22a_100000106764_100011215815 [0,1,0,0,0,1|2,0,0]=4 2573 B12R1.43 O=C(Cc1ccccc1)C(O)O 1458a_100000233687_100015291786 [0,1,0,0,0,1|2,0,0]=4 2574 B12R1.43 O=C(Nc1ccccc1)C(F)F 11a_100000106764_100000210393 [0,1,0,0,0,1|2,0,0]=4 2575 B12R1.43 O=C(Nc1ccccc1)C(F)F 1626a_100000106764_100000210393 [0,1,0,0,0,1|2,0,0]=4 2576 B12R1.43 O=C(Nc1ccccc1)C(F)F 22a_100000106764_100000210393 [0,1,0,0,0,1|2,0,0]=4 2577 B12R1.43 O=C(Nc1ccccc1)C(F)F 527a_100000106764_100000210393 [0,1,0,0,0,1|2,0,0]=4 2578 B12R1.43 O=C(Nc1ccccc1)C(O)O 22a_100000106764_100000233687 [0,1,0,0,0,1|2,0,0]=4 2579 B12R1.43 [13CH3]C(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_200025704644 [0,1,0,0,0,1|2,0,0]=4 2580 B12R1.43 [13CH3]C(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_200025704644 [0,1,0,0,0,1|2,0,0]=4 2581 B12R1.43 [13CH3]C(=O)C(=O)Nc1ccccc1 1458a_100000738435_200025704644 [0,1,0,0,0,1|1,0,0]=3 2582 B12R1.49 C#CC(=O)Cc1ccc(cc1)Br 1458a_100000211873_100000189115 [0,1,0,0,0,1|1,0,1]=4 2583 B12R1.49 C#CC(=O)Cc1ccc(cc1)C 1458a_100000211873_100000210814 [0,1,0,0,0,1|1,0,1]=4 2584 B12R1.49 C#CC(=O)Cc1ccc(cc1)Cl 1458a_100000211873_100000694040 [0,1,0,0,0,1|1,0,1]=4 2585 B12R1.49 C#CC(=O)Cc1ccc(cc1)F 1458a_100000211873_100000198546 [0,1,0,0,0,1|1,0,1]=4 2586 B12R1.49 C#CC(=O)Cc1ccc(cc1)I 1458a_100000211873_100000189116 [0,1,0,0,0,1|1,0,1]=4 2587 B12R1.49 C=CC(=O)Cc1ccc(cc1)Br 1458a_100000185746_100000189115 [0,1,0,0,0,1|1,0,1]=4 2588 B12R1.49 C=CC(=O)Cc1ccc(cc1)C 1458a_100000185746_100000210814 [0,1,0,0,0,1|1,0,1]=4 2589 B12R1.49 C=CC(=O)Cc1ccc(cc1)Cl 1458a_100000185746_100000694040 [0,1,0,0,0,1|1,0,1]=4 2590 B12R1.49 C=CC(=O)Cc1ccc(cc1)F 1458a_100000185746_100000198546 [0,1,0,0,0,1|1,0,1]=4 2591 B12R1.49 C=CC(=O)Cc1ccc(cc1)I 1458a_100000185746_100000189116 [0,1,0,0,0,1|1,0,1]=4 2592 B12R1.49 C=CC(=O)Nc1ccc(cc1)Br 1626a_100000210018_100000185746 [0,1,0,0,0,1|1,0,1]=4 2593 B12R1.49 C=CC(=O)Nc1ccc(cc1)Br 22a_100000210018_100000185746 [0,1,0,0,0,1|1,0,1]=4 2594 B12R1.49 C=CC(=O)Nc1ccc(cc1)C 1626a_100000124888_100000185746 [0,1,0,0,0,1|1,0,1]=4 2595 B12R1.49 C=CC(=O)Nc1ccc(cc1)C 22a_100000124888_100000185746 [0,1,0,0,0,1|1,0,1]=4 2596 B12R1.49 C=CC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100000185746 [0,1,0,0,0,1|1,0,1]=4 2597 B12R1.49 C=CC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000185746 [0,1,0,0,0,1|1,0,1]=4 2598 B12R1.49 C=CC(=O)Nc1ccc(cc1)F 1626a_100000185862_100000185746 [0,1,0,0,0,1|1,0,1]=4 2599 B12R1.49 C=CC(=O)Nc1ccc(cc1)F 22a_100000185862_100000185746 [0,1,0,0,0,1|1,0,1]=4 2600 B12R1.49 C=CC(=O)Nc1ccc(cc1)I 1626a_100000185761_100000185746 [0,1,0,0,0,1|1,0,1]=4 2601 B12R1.49 C=CC(=O)Nc1ccc(cc1)I 22a_100000185761_100000185746 [0,1,0,0,0,1|1,0,1]=4 2602 B12R1.49 C=CC(=O)Nc1ccc(cc1)O 22a_100000185829_100000185746 [0,1,0,0,0,1|1,0,1]=4 2603 B12R1.49 CC(Cc1ccc(cc1)O)N[13CH3] 2230a_100102634573_200025704644 [0,1,0,0,0,1|1,0,1]=4 2604 B12R1.49 CC(Cc1ccc(cc1)O)N[13CH3] 34a_100102634573_200025704644 [0,1,0,0,0,1|1,0,1]=4 2605 B12R1.49 CCC(=O)Cc1ccc(cc1)Br 1458a_100000198978_100000210202 [0,1,0,0,0,1|1,0,0]=3 2606 B12R1.49 CCC(=O)Cc1ccc(cc1)Br 1458a_100000210414_100000189115 [0,1,0,0,0,1|1,0,0]=3 2607 B12R1.49 CCC(=O)Cc1ccc(cc1)C 1458a_100000210414_100000210814 [0,1,0,0,0,1|1,0,0]=3 2608 B12R1.49 CCC(=O)Cc1ccc(cc1)C 1458a_100000212244_100000210202 [0,1,0,0,0,1|1,0,0]=3 2609 B12R1.49 CCC(=O)Cc1ccc(cc1)Cl 1458a_100000210414_100000694040 [0,1,0,0,0,1|1,0,0]=3 2610 B12R1.49 CCC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_100000210202 [0,1,0,0,0,1|1,0,0]=3 2611 B12R1.49 CCC(=O)Cc1ccc(cc1)F 1458a_100000210414_100000198546 [0,1,0,0,0,1|1,0,0]=3 2612 B12R1.49 CCC(=O)Cc1ccc(cc1)F 1458a_100000210951_100000210202 [0,1,0,0,0,1|1,0,0]=3 2613 B12R1.49 CCC(=O)Cc1ccc(cc1)I 1458a_100000210414_100000189116 [0,1,0,0,0,1|1,0,0]=3 2614 B12R1.49 CCC(=O)Cc1ccc(cc1)I 1458a_100000688869_100000210202 [0,1,0,0,0,1|1,0,0]=3 2615 B12R1.49 CCC(=O)Cc1ccc(cc1)O 1458a_100000198540_100000210202 [0,1,0,0,0,1|1,0,0]=3 2616 B12R1.49 CCC(=O)Cc1ccc(cn1)Br 1458a_100000210414_100000702658 [0,1,0,0,0,1|2,0,0]=4 2617 B12R1.49 CCC(=O)Cc1ccc(cn1)Br 1458a_100020629044_100000210202 [0,1,0,0,0,1|2,0,0]=4 2618 B12R1.49 CCC(=O)Cc1ccc(cn1)C 1458a_100000210414_100000691093 [0,1,0,0,0,1|2,0,0]=4 2619 B12R1.49 CCC(=O)Cc1ccc(cn1)C 1458a_100025705728_100000210202 [0,1,0,0,0,1|2,0,0]=4 2620 B12R1.49 CCC(=O)Cc1ccc(cn1)Cl 1458a_100000210414_100012066911 [0,1,0,0,0,1|2,0,0]=4 2621 B12R1.49 CCC(=O)Cc1ccc(cn1)Cl 1458a_100000728320_100000210202 [0,1,0,0,0,1|2,0,0]=4 2622 B12R1.49 CCC(=O)Cc1ccc(cn1)F 1458a_100000210414_100000703193 [0,1,0,0,0,1|2,0,0]=4 2623 B12R1.49 CCC(=O)Cc1ccc(nc1)Br 1458a_100000210414_100009831999 [0,1,0,0,0,1|2,0,0]=4 2624 B12R1.49 CCC(=O)Cc1ccc(nc1)Br 1458a_100010067268_100000210202 [0,1,0,0,0,1|2,0,0]=4 2625 B12R1.49 CCC(=O)Cc1ccc(nc1)C 1458a_100000210414_100016987292 [0,1,0,0,0,1|2,0,0]=4 2626 B12R1.49 CCC(=O)Cc1ccc(nc1)C 1458a_100000740413_100000210202 [0,1,0,0,0,1|2,0,0]=4 2627 B12R1.49 CCC(=O)Cc1ccc(nc1)Cl 1458a_100000061944_100000210202 [0,1,0,0,0,1|2,0,0]=4 2628 B12R1.49 CCC(=O)Cc1ccc(nc1)Cl 1458a_100000210414_100000735431 [0,1,0,0,0,1|2,0,0]=4 2629 B12R1.49 CCC(=O)Cc1ccc(nc1)F 1458a_100000210414_100009820150 [0,1,0,0,0,1|2,0,0]=4 2630 B12R1.49 CCC(=O)Cn1ccc(=O)cc1 1458a_200000238563_100000210202 [0,1,0,0,0,1|2,0,0]=4 2631 B12R1.49 CCC(=O)Nc1ccc(cc1)Br 11a_100000210018_100000210414 [0,1,0,0,0,1|1,0,0]=3 2632 B12R1.49 CCC(=O)Nc1ccc(cc1)Br 1626a_100000210018_100000210414 [0,1,0,0,0,1|1,0,0]=3 2633 B12R1.49 CCC(=O)Nc1ccc(cc1)Br 22a_100000210018_100000210414 [0,1,0,0,0,1|1,0,0]=3 2634 B12R1.49 CCC(=O)Nc1ccc(cc1)Br 527a_100000210018_100000210414 [0,1,0,0,0,1|1,0,0]=3 2635 B12R1.49 CCC(=O)Nc1ccc(cc1)C 11a_100000124888_100000210414 [0,1,0,0,0,1|1,0,0]=3 2636 B12R1.49 CCC(=O)Nc1ccc(cc1)C 1626a_100000124888_100000210414 [0,1,0,0,0,1|1,0,0]=3 2637 B12R1.49 CCC(=O)Nc1ccc(cc1)C 22a_100000124888_100000210414 [0,1,0,0,0,1|1,0,0]=3 2638 B12R1.49 CCC(=O)Nc1ccc(cc1)C 527a_100000124888_100000210414 [0,1,0,0,0,1|1,0,0]=3 2639 B12R1.49 CCC(=O)Nc1ccc(cc1)Cl 11a_100000210052_100000210414 [0,1,0,0,0,1|1,0,0]=3 2640 B12R1.49 CCC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100000210414 [0,1,0,0,0,1|1,0,0]=3 2641 B12R1.49 CCC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000210414 [0,1,0,0,0,1|1,0,0]=3 2642 B12R1.49 CCC(=O)Nc1ccc(cc1)Cl 527a_100000210052_100000210414 [0,1,0,0,0,1|1,0,0]=3 2643 B12R1.49 CCC(=O)Nc1ccc(cc1)F 11a_100000185862_100000210414 [0,1,0,0,0,1|1,0,0]=3 2644 B12R1.49 CCC(=O)Nc1ccc(cc1)F 1626a_100000185862_100000210414 [0,1,0,0,0,1|1,0,0]=3 2645 B12R1.49 CCC(=O)Nc1ccc(cc1)F 22a_100000185862_100000210414 [0,1,0,0,0,1|1,0,0]=3 2646 B12R1.49 CCC(=O)Nc1ccc(cc1)F 527a_100000185862_100000210414 [0,1,0,0,0,1|1,0,0]=3 2647 B12R1.49 CCC(=O)Nc1ccc(cc1)I 11a_100000185761_100000210414 [0,1,0,0,0,1|1,0,0]=3 2648 B12R1.49 CCC(=O)Nc1ccc(cc1)I 1626a_100000185761_100000210414 [0,1,0,0,0,1|1,0,0]=3 2649 B12R1.49 CCC(=O)Nc1ccc(cc1)I 22a_100000185761_100000210414 [0,1,0,0,0,1|1,0,0]=3 2650 B12R1.49 CCC(=O)Nc1ccc(cc1)I 527a_100000185761_100000210414 [0,1,0,0,0,1|1,0,0]=3 2651 B12R1.49 CCC(=O)Nc1ccc(cc1)O 22a_100000185829_100000210414 [0,1,0,0,0,1|1,0,0]=3 2652 B12R1.49 CCC(=O)Oc1ccc(cc1)O 271570a_203496583355_200009811598 [0,1,0,0,0,1|1,0,0]=3 2653 B12R1.49 CNC(=O)Cc1ccc(cc1)Br 11a_106832991635_100000198978 [0,1,0,0,0,1|0,0,0]=2 2654 B12R1.49 CNC(=O)Cc1ccc(cc1)Br 240690a_100102657272_100000198978 [0,1,0,0,0,1|0,0,0]=2 2655 B12R1.49 CNC(=O)Cc1ccc(cc1)Br 527a_100102657272_100000198978 [0,1,0,0,0,1|0,0,0]=2 2656 B12R1.49 CNC(=O)Cc1ccc(cc1)C 11a_106832991635_100000212244 [0,1,0,0,0,1|0,0,0]=2 2657 B12R1.49 CNC(=O)Cc1ccc(cc1)C 240690a_100102657272_100000212244 [0,1,0,0,0,1|0,0,0]=2 2658 B12R1.49 CNC(=O)Cc1ccc(cc1)C 527a_100102657272_100000212244 [0,1,0,0,0,1|0,0,0]=2 2659 B12R1.49 CNC(=O)Cc1ccc(cc1)Cl 11a_106832991635_100000211027 [0,1,0,0,0,1|0,0,0]=2 2660 B12R1.49 CNC(=O)Cc1ccc(cc1)Cl 240690a_100102657272_100000211027 [0,1,0,0,0,1|0,0,0]=2 2661 B12R1.49 CNC(=O)Cc1ccc(cc1)Cl 527a_100102657272_100000211027 [0,1,0,0,0,1|0,0,0]=2 2662 B12R1.49 CNC(=O)Cc1ccc(cc1)F 11a_106832991635_100000210951 [0,1,0,0,0,1|0,0,0]=2 2663 B12R1.49 CNC(=O)Cc1ccc(cc1)F 1626a_100102657272_100000210951 [0,1,0,0,0,1|0,0,0]=2 2664 B12R1.49 CNC(=O)Cc1ccc(cc1)F 240690a_100102657272_100000210951 [0,1,0,0,0,1|0,0,0]=2 2665 B12R1.49 CNC(=O)Cc1ccc(cc1)F 527a_100102657272_100000210951 [0,1,0,0,0,1|0,0,0]=2 2666 B12R1.49 CNC(=O)Cc1ccc(cc1)I 11a_106832991635_100000688869 [0,1,0,0,0,1|0,0,0]=2 2667 B12R1.49 CNC(=O)Cc1ccc(cc1)I 1626a_100102657272_100000688869 [0,1,0,0,0,1|0,0,0]=2 2668 B12R1.49 CNC(=O)Cc1ccc(cc1)I 240690a_100102657272_100000688869 [0,1,0,0,0,1|0,0,0]=2 2669 B12R1.49 CNC(=O)Cc1ccc(cc1)I 527a_100102657272_100000688869 [0,1,0,0,0,1|0,0,0]=2 2670 B12R1.49 CNC(=O)Cc1ccc(cc1)O 1626a_100102657272_100000198540 [0,1,0,0,0,1|0,0,0]=2 2671 B12R1.49 CNC(=O)Cc1ccc(cc1)O 240690a_100102657272_100000198540 [0,1,0,0,0,1|0,0,0]=2 2672 B12R1.49 CNC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000155101 [0,1,0,0,0,1|0,0,0]=2 2673 B12R1.49 CNC(=O)Cc1ccc(cc1)O 527a_100102657272_100000198540 [0,1,0,0,0,1|0,0,0]=2 2674 B12R1.49 CNC(=O)Cc1ccc(cn1)Br 11a_106832991635_100020629044 [0,1,0,0,0,1|1,0,0]=3 2675 B12R1.49 CNC(=O)Cc1ccc(cn1)Br 240690a_100102657272_100020629044 [0,1,0,0,0,1|1,0,0]=3 2676 B12R1.49 CNC(=O)Cc1ccc(cn1)C 11a_106832991635_100025705728 [0,1,0,0,0,1|1,0,0]=3 2677 B12R1.49 CNC(=O)Cc1ccc(cn1)C 1626a_100102657272_100025705728 [0,1,0,0,0,1|1,0,0]=3 2678 B12R1.49 CNC(=O)Cc1ccc(cn1)C 240690a_100102657272_100025705728 [0,1,0,0,0,1|1,0,0]=3 2679 B12R1.49 CNC(=O)Cc1ccc(cn1)Cl 11a_106832991635_100000728320 [0,1,0,0,0,1|1,0,0]=3 2680 B12R1.49 CNC(=O)Cc1ccc(cn1)Cl 1626a_100102657272_100000728320 [0,1,0,0,0,1|1,0,0]=3 2681 B12R1.49 CNC(=O)Cc1ccc(cn1)Cl 240690a_100102657272_100000728320 [0,1,0,0,0,1|1,0,0]=3 2682 B12R1.49 CNC(=O)Cc1ccc(cn1)Cl 527a_100102657272_100000728320 [0,1,0,0,0,1|1,0,0]=3 2683 B12R1.49 CNC(=O)Cc1ccc(nc1)Br 11a_106832991635_100010067268 [0,1,0,0,0,1|1,0,0]=3 2684 B12R1.49 CNC(=O)Cc1ccc(nc1)Br 240690a_100102657272_100010067268 [0,1,0,0,0,1|1,0,0]=3 2685 B12R1.49 CNC(=O)Cc1ccc(nc1)Br 527a_100102657272_100010067268 [0,1,0,0,0,1|1,0,0]=3 2686 B12R1.49 CNC(=O)Cc1ccc(nc1)C 11a_106832991635_100000740413 [0,1,0,0,0,1|1,0,0]=3 2687 B12R1.49 CNC(=O)Cc1ccc(nc1)C 1626a_100102657272_100000740413 [0,1,0,0,0,1|1,0,0]=3 2688 B12R1.49 CNC(=O)Cc1ccc(nc1)C 240690a_100102657272_100000740413 [0,1,0,0,0,1|1,0,0]=3 2689 B12R1.49 CNC(=O)Cc1ccc(nc1)C 527a_100102657272_100000740413 [0,1,0,0,0,1|1,0,0]=3 2690 B12R1.49 CNC(=O)Cc1ccc(nc1)Cl 11a_106832991635_100000061944 [0,1,0,0,0,1|1,0,0]=3 2691 B12R1.49 CNC(=O)Cc1ccc(nc1)Cl 1626a_100102657272_100000061944 [0,1,0,0,0,1|1,0,0]=3 2692 B12R1.49 CNC(=O)Cc1ccc(nc1)Cl 240690a_100102657272_100000061944 [0,1,0,0,0,1|1,0,0]=3 2693 B12R1.49 CNC(=O)Cc1ccc(nc1)Cl 527a_100102657272_100000061944 [0,1,0,0,0,1|1,0,0]=3 2694 B12R1.49 CNC(=O)Cc1ncc(cn1)Br 240690a_100102657272_100012357043 [0,1,0,0,0,1|2,0,0]=4 2695 B12R1.49 CNC(=O)Cn1ccc(=O)cc1 11a_106832991635_200000238563 [0,1,0,0,0,1|1,0,0]=3 2696 B12R1.49 CNC(=O)Cn1ccc(=O)cc1 1626a_100102657272_200000238563 [0,1,0,0,0,1|1,0,0]=3 2697 B12R1.49 CNC(=O)Cn1ccc(=O)cc1 240690a_100102657272_200000238563 [0,1,0,0,0,1|1,0,0]=3 2698 B12R1.49 CNC(=O)Cn1ccc(=O)cc1 527a_100102657272_200000238563 [0,1,0,0,0,1|1,0,0]=3 2699 B12R1.49 CNC(=O)Nc1ccc(cc1)Br 2430a_100000210018_100102657272 [0,1,0,0,0,1|0,0,0]=2 2700 B12R1.49 CNC(=O)Nc1ccc(cc1)C 2430a_100000124888_100102657272 [0,1,0,0,0,1|0,0,0]=2 2701 B12R1.49 CNC(=O)Nc1ccc(cc1)Cl 2430a_100000210052_100102657272 [0,1,0,0,0,1|0,0,0]=2 2702 B12R1.49 CNC(=O)Nc1ccc(cc1)F 2430a_100000185862_100102657272 [0,1,0,0,0,1|0,0,0]=2 2703 B12R1.49 CNC(=O)Nc1ccc(cc1)I 2430a_100000185761_100102657272 [0,1,0,0,0,1|0,0,0]=2 2704 B12R1.49 CNC(=O)Nc1ccc(cc1)O 2430a_100000185829_100102657272 [0,1,0,0,0,1|0,0,0]=2 2705 B12R1.49 CNC(C)Cc1ccc(cc1)Br 270004a_106832991635_100000691760 [0,1,0,0,0,1|1,0,1]=4 2706 B12R1.49 CNC(C)Cc1ccc(cc1)C 270004a_106832991635_100000751045 [0,1,0,0,0,1|1,0,1]=4 2707 B12R1.49 CNC(C)Cc1ccc(cc1)Cl 270004a_106832991635_100000747806 [0,1,0,0,0,1|1,0,1]=4 2708 B12R1.49 CNC(C)Cc1ccc(cc1)F 270004a_106832991635_100000745281 [0,1,0,0,0,1|1,0,1]=4 2709 B12R1.49 CNC(C)Cc1ccc(cc1)O 2230a_100102634573_200000210301 [0,1,0,0,0,1|1,0,1]=4 2710 B12R1.49 CNC(C)Cc1ccc(cc1)O 270004a_106832991635_100011218180 [0,1,0,0,0,1|1,0,1]=4 2711 B12R1.49 CNC(C)Cc1ccc(cc1)O 34a_100102634573_200000210301 [0,1,0,0,0,1|1,0,1]=4 2712 B12R1.49 COC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000149743 [0,1,0,0,0,1|1,0,0]=3 2713 B12R1.49 COC(=O)Cc1ccc(cn1)O 271570a_203496583355_100012362609 [0,1,0,0,0,1|2,0,0]=4 2714 B12R1.49 COC(=O)Cc1ccc(nc1)O 271570a_203496583355_100000071674 [0,1,0,0,0,1|2,0,0]=4 2715 B12R1.49 COC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000181880 [0,1,0,0,0,1|1,0,0]=3 2716 B12R1.49 COC(=O)Nc1ccc(cn1)O 271570a_203496583355_100000188976 [0,1,0,0,0,1|2,0,0]=4 2717 B12R1.49 Cc1ccc(cc1)CC(=O)CF 1458a_100000212244_100015361967 [0,1,0,0,0,1|2,0,0]=4 2718 B12R1.49 Cc1ccc(cc1)CC(=O)CO 1458a_100000210174_100000210814 [0,1,0,0,0,1|2,0,0]=4 2719 B12R1.49 Cc1ccc(cc1)NC(=O)CO 22a_100000124888_100000210174 [0,1,0,0,0,1|2,0,0]=4 2720 B12R1.49 Cc1ccc(cc1)NC(=O)CO 527a_100000124888_100000210174 [0,1,0,0,0,1|2,0,0]=4 2721 B12R1.49 O=C(CF)Cc1ccc(cc1)Br 1458a_100000198978_100015361967 [0,1,0,0,0,1|2,0,0]=4 2722 B12R1.49 O=C(CF)Cc1ccc(cc1)Cl 1458a_100000211027_100015361967 [0,1,0,0,0,1|2,0,0]=4 2723 B12R1.49 O=C(CF)Cc1ccc(cc1)F 1458a_100000210951_100015361967 [0,1,0,0,0,1|2,0,0]=4 2724 B12R1.49 O=C(CF)Cc1ccc(cc1)I 1458a_100000688869_100015361967 [0,1,0,0,0,1|2,0,0]=4 2725 B12R1.49 O=C(CF)Cc1ccc(cc1)O 1458a_100000198540_100015361967 [0,1,0,0,0,1|2,0,0]=4 2726 B12R1.49 O=C(CO)Cc1ccc(cc1)Br 1458a_100000210174_100000189115 [0,1,0,0,0,1|2,0,0]=4 2727 B12R1.49 O=C(CO)Cc1ccc(cc1)Cl 1458a_100000210174_100000694040 [0,1,0,0,0,1|2,0,0]=4 2728 B12R1.49 O=C(CO)Cc1ccc(cc1)F 1458a_100000210174_100000198546 [0,1,0,0,0,1|2,0,0]=4 2729 B12R1.49 O=C(CO)Cc1ccc(cc1)I 1458a_100000210174_100000189116 [0,1,0,0,0,1|2,0,0]=4 2730 B12R1.49 O=C(CO)Nc1ccc(cc1)Br 22a_100000210018_100000210174 [0,1,0,0,0,1|2,0,0]=4 2731 B12R1.49 O=C(CO)Nc1ccc(cc1)Br 527a_100000210018_100000210174 [0,1,0,0,0,1|2,0,0]=4 2732 B12R1.49 O=C(CO)Nc1ccc(cc1)Cl 22a_100000210052_100000210174 [0,1,0,0,0,1|2,0,0]=4 2733 B12R1.49 O=C(CO)Nc1ccc(cc1)Cl 527a_100000210052_100000210174 [0,1,0,0,0,1|2,0,0]=4 2734 B12R1.49 O=C(CO)Nc1ccc(cc1)F 22a_100000185862_100000210174 [0,1,0,0,0,1|2,0,0]=4 2735 B12R1.49 O=C(CO)Nc1ccc(cc1)F 527a_100000185862_100000210174 [0,1,0,0,0,1|2,0,0]=4 2736 B12R1.49 O=C(CO)Nc1ccc(cc1)I 22a_100000185761_100000210174 [0,1,0,0,0,1|2,0,0]=4 2737 B12R1.49 O=C(CO)Nc1ccc(cc1)I 527a_100000185761_100000210174 [0,1,0,0,0,1|2,0,0]=4 2738 B12R1.49 O=C(CO)Nc1ccc(cc1)O 22a_100000185829_100000210174 [0,1,0,0,0,1|2,0,0]=4 2739 B12R1.50 C#CC(=O)Cc1cccc(c1)Br 1458a_100000211873_100000211773 [0,1,0,0,0,1|1,0,1]=4 2740 B12R1.50 C#CC(=O)Cc1cccc(c1)C 1458a_100000211873_100000211840 [0,1,0,0,0,1|1,0,1]=4 2741 B12R1.50 C#CC(=O)Cc1cccc(c1)Cl 1458a_100000211873_100000181238 [0,1,0,0,0,1|1,0,1]=4 2742 B12R1.50 C#CC(=O)Cc1cccc(c1)F 1458a_100000211873_100000230114 [0,1,0,0,0,1|1,0,1]=4 2743 B12R1.50 C#CC(=O)Cc1cccc(c1)I 1458a_100000211873_100011218688 [0,1,0,0,0,1|1,0,1]=4 2744 B12R1.50 C#CC(=O)Cc1cccc(c1)O 1458a_100000211873_100011660834 [0,1,0,0,0,1|1,0,1]=4 2745 B12R1.50 C=CC(=O)Cc1cccc(c1)Br 1458a_100000185746_100000211773 [0,1,0,0,0,1|1,0,1]=4 2746 B12R1.50 C=CC(=O)Cc1cccc(c1)C 1458a_100000185746_100000211840 [0,1,0,0,0,1|1,0,1]=4 2747 B12R1.50 C=CC(=O)Cc1cccc(c1)Cl 1458a_100000185746_100000181238 [0,1,0,0,0,1|1,0,1]=4 2748 B12R1.50 C=CC(=O)Cc1cccc(c1)F 1458a_100000185746_100000230114 [0,1,0,0,0,1|1,0,1]=4 2749 B12R1.50 C=CC(=O)Cc1cccc(c1)I 1458a_100000185746_100011218688 [0,1,0,0,0,1|1,0,1]=4 2750 B12R1.50 C=CC(=O)Cc1cccc(c1)O 1458a_100000185746_100011660834 [0,1,0,0,0,1|1,0,1]=4 2751 B12R1.50 C=CC(=O)Nc1cccc(c1)Br 1626a_100000210019_100000185746 [0,1,0,0,0,1|1,0,1]=4 2752 B12R1.50 C=CC(=O)Nc1cccc(c1)Br 22a_100000210019_100000185746 [0,1,0,0,0,1|1,0,1]=4 2753 B12R1.50 C=CC(=O)Nc1cccc(c1)C 1626a_100000188690_100000185746 [0,1,0,0,0,1|1,0,1]=4 2754 B12R1.50 C=CC(=O)Nc1cccc(c1)C 22a_100000188690_100000185746 [0,1,0,0,0,1|1,0,1]=4 2755 B12R1.50 C=CC(=O)Nc1cccc(c1)Cl 1626a_100000185859_100000185746 [0,1,0,0,0,1|1,0,1]=4 2756 B12R1.50 C=CC(=O)Nc1cccc(c1)Cl 22a_100000185859_100000185746 [0,1,0,0,0,1|1,0,1]=4 2757 B12R1.50 C=CC(=O)Nc1cccc(c1)F 1626a_100000210047_100000185746 [0,1,0,0,0,1|1,0,1]=4 2758 B12R1.50 C=CC(=O)Nc1cccc(c1)F 22a_100000210047_100000185746 [0,1,0,0,0,1|1,0,1]=4 2759 B12R1.50 C=CC(=O)Nc1cccc(c1)I 1626a_100000211102_100000185746 [0,1,0,0,0,1|1,0,1]=4 2760 B12R1.50 C=CC(=O)Nc1cccc(c1)I 22a_100000211102_100000185746 [0,1,0,0,0,1|1,0,1]=4 2761 B12R1.50 C=CC(=O)Nc1cccc(c1)O 1626a_100000210217_100000185746 [0,1,0,0,0,1|1,0,1]=4 2762 B12R1.50 C=CC(=O)Nc1cccc(c1)O 22a_100000210217_100000185746 [0,1,0,0,0,1|1,0,1]=4 2763 B12R1.50 CCC(=O)Cc1cc(ccn1)Br 1458a_100000210414_100010173614 [0,1,0,0,0,1|2,0,0]=4 2764 B12R1.50 CCC(=O)Cc1cc(ccn1)C 1458a_100000210414_100000718516 [0,1,0,0,0,1|2,0,0]=4 2765 B12R1.50 CCC(=O)Cc1cc(ccn1)Cl 1458a_100000210414_100016988179 [0,1,0,0,0,1|2,0,0]=4 2766 B12R1.50 CCC(=O)Cc1cccc(c1)Br 1458a_100000210414_100000211773 [0,1,0,0,0,1|1,0,0]=3 2767 B12R1.50 CCC(=O)Cc1cccc(c1)Br 1458a_100000747190_100000210202 [0,1,0,0,0,1|1,0,0]=3 2768 B12R1.50 CCC(=O)Cc1cccc(c1)C 1458a_100000210414_100000211840 [0,1,0,0,0,1|1,0,0]=3 2769 B12R1.50 CCC(=O)Cc1cccc(c1)C 1458a_100011206899_100000210202 [0,1,0,0,0,1|1,0,0]=3 2770 B12R1.50 CCC(=O)Cc1cccc(c1)Cl 1458a_100000210414_100000181238 [0,1,0,0,0,1|1,0,0]=3 2771 B12R1.50 CCC(=O)Cc1cccc(c1)Cl 1458a_100000749307_100000210202 [0,1,0,0,0,1|1,0,0]=3 2772 B12R1.50 CCC(=O)Cc1cccc(c1)F 1458a_100000210414_100000230114 [0,1,0,0,0,1|1,0,0]=3 2773 B12R1.50 CCC(=O)Cc1cccc(c1)F 1458a_100000211661_100000210202 [0,1,0,0,0,1|1,0,0]=3 2774 B12R1.50 CCC(=O)Cc1cccc(c1)I 1458a_100000210414_100011218688 [0,1,0,0,0,1|1,0,0]=3 2775 B12R1.50 CCC(=O)Cc1cccc(c1)I 1458a_100000238430_100000210202 [0,1,0,0,0,1|1,0,0]=3 2776 B12R1.50 CCC(=O)Cc1cccc(c1)O 1458a_100000210414_100011660834 [0,1,0,0,0,1|1,0,0]=3 2777 B12R1.50 CCC(=O)Cc1cccc(c1)O 1458a_100000745134_100000210202 [0,1,0,0,0,1|1,0,0]=3 2778 B12R1.50 CCC(=O)Cc1cccc(n1)Br 1458a_100000210414_100009889011 [0,1,0,0,0,1|2,0,0]=4 2779 B12R1.50 CCC(=O)Cc1cccc(n1)Br 1458a_100010201708_100000210202 [0,1,0,0,0,1|2,0,0]=4 2780 B12R1.50 CCC(=O)Cc1cccc(n1)C 1458a_100000210414_100000757606 [0,1,0,0,0,1|2,0,0]=4 2781 B12R1.50 CCC(=O)Cc1cccc(n1)C 1458a_100012001110_100000210202 [0,1,0,0,0,1|2,0,0]=4 2782 B12R1.50 CCC(=O)Cc1cccc(n1)Cl 1458a_100000090259_100000210202 [0,1,0,0,0,1|2,0,0]=4 2783 B12R1.50 CCC(=O)Cc1cccc(n1)Cl 1458a_100000210414_100000086093 [0,1,0,0,0,1|2,0,0]=4 2784 B12R1.50 CCC(=O)Cc1cccc(n1)F 1458a_100000096803_100000210202 [0,1,0,0,0,1|2,0,0]=4 2785 B12R1.50 CCC(=O)Cc1cccc(n1)F 1458a_100000210414_100009819644 [0,1,0,0,0,1|2,0,0]=4 2786 B12R1.50 CCC(=O)Cc1ccnc(c1)Br 1458a_100000210414_100010243470 [0,1,0,0,0,1|2,0,0]=4 2787 B12R1.50 CCC(=O)Cc1ccnc(c1)Br 1458a_100010126891_100000210202 [0,1,0,0,0,1|2,0,0]=4 2788 B12R1.50 CCC(=O)Cc1ccnc(c1)C 1458a_100000210414_200020672517 [0,1,0,0,0,1|2,0,0]=4 2789 B12R1.50 CCC(=O)Cc1ccnc(c1)Cl 1458a_100000210414_100000764220 [0,1,0,0,0,1|2,0,0]=4 2790 B12R1.50 CCC(=O)Cc1cncc(c1)Br 1458a_100000210414_100011740620 [0,1,0,0,0,1|2,0,0]=4 2791 B12R1.50 CCC(=O)Cc1cncc(c1)Br 1458a_100000239331_100000210202 [0,1,0,0,0,1|2,0,0]=4 2792 B12R1.50 CCC(=O)Cc1cncc(c1)C 1458a_100000210414_100000716715 [0,1,0,0,0,1|2,0,0]=4 2793 B12R1.50 CCC(=O)Cc1cncc(c1)Cl 1458a_100000210414_100016992070 [0,1,0,0,0,1|2,0,0]=4 2794 B12R1.50 CCC(=O)Cc1cncc(c1)F 1458a_100000210414_100000725299 [0,1,0,0,0,1|2,0,0]=4 2795 B12R1.50 CCC(=O)Cc1cncc(c1)F 1458a_100011667516_100000210202 [0,1,0,0,0,1|2,0,0]=4 2796 B12R1.50 CCC(=O)Nc1cccc(c1)Br 11a_100000210019_100000210414 [0,1,0,0,0,1|1,0,0]=3 2797 B12R1.50 CCC(=O)Nc1cccc(c1)Br 1626a_100000210019_100000210414 [0,1,0,0,0,1|1,0,0]=3 2798 B12R1.50 CCC(=O)Nc1cccc(c1)Br 22a_100000210019_100000210414 [0,1,0,0,0,1|1,0,0]=3 2799 B12R1.50 CCC(=O)Nc1cccc(c1)Br 527a_100000210019_100000210414 [0,1,0,0,0,1|1,0,0]=3 2800 B12R1.50 CCC(=O)Nc1cccc(c1)C 11a_100000188690_100000210414 [0,1,0,0,0,1|1,0,0]=3 2801 B12R1.50 CCC(=O)Nc1cccc(c1)C 1626a_100000188690_100000210414 [0,1,0,0,0,1|1,0,0]=3 2802 B12R1.50 CCC(=O)Nc1cccc(c1)C 22a_100000188690_100000210414 [0,1,0,0,0,1|1,0,0]=3 2803 B12R1.50 CCC(=O)Nc1cccc(c1)C 527a_100000188690_100000210414 [0,1,0,0,0,1|1,0,0]=3 2804 B12R1.50 CCC(=O)Nc1cccc(c1)Cl 11a_100000185859_100000210414 [0,1,0,0,0,1|1,0,0]=3 2805 B12R1.50 CCC(=O)Nc1cccc(c1)Cl 1626a_100000185859_100000210414 [0,1,0,0,0,1|1,0,0]=3 2806 B12R1.50 CCC(=O)Nc1cccc(c1)Cl 22a_100000185859_100000210414 [0,1,0,0,0,1|1,0,0]=3 2807 B12R1.50 CCC(=O)Nc1cccc(c1)F 11a_100000210047_100000210414 [0,1,0,0,0,1|1,0,0]=3 2808 B12R1.50 CCC(=O)Nc1cccc(c1)F 1626a_100000210047_100000210414 [0,1,0,0,0,1|1,0,0]=3 2809 B12R1.50 CCC(=O)Nc1cccc(c1)F 22a_100000210047_100000210414 [0,1,0,0,0,1|1,0,0]=3 2810 B12R1.50 CCC(=O)Nc1cccc(c1)F 527a_100000210047_100000210414 [0,1,0,0,0,1|1,0,0]=3 2811 B12R1.50 CCC(=O)Nc1cccc(c1)I 11a_100000211102_100000210414 [0,1,0,0,0,1|1,0,0]=3 2812 B12R1.50 CCC(=O)Nc1cccc(c1)I 1626a_100000211102_100000210414 [0,1,0,0,0,1|1,0,0]=3 2813 B12R1.50 CCC(=O)Nc1cccc(c1)I 22a_100000211102_100000210414 [0,1,0,0,0,1|1,0,0]=3 2814 B12R1.50 CCC(=O)Nc1cccc(c1)I 527a_100000211102_100000210414 [0,1,0,0,0,1|1,0,0]=3 2815 B12R1.50 CCC(=O)Nc1cccc(c1)O 1626a_100000210217_100000210414 [0,1,0,0,0,1|1,0,0]=3 2816 B12R1.50 CCC(=O)Nc1cccc(c1)O 22a_100000210217_100000210414 [0,1,0,0,0,1|1,0,0]=3 2817 B12R1.50 CCC(=O)Nc1cccc(c1)O 527a_100000210217_100000210414 [0,1,0,0,0,1|1,0,0]=3 2818 B12R1.50 CNC(=O)Cc1cccc(c1)Br 11a_106832991635_100000747190 [0,1,0,0,0,1|0,0,0]=2 2819 B12R1.50 CNC(=O)Cc1cccc(c1)Br 240690a_100102657272_100000747190 [0,1,0,0,0,1|0,0,0]=2 2820 B12R1.50 CNC(=O)Cc1cccc(c1)Br 527a_100102657272_100000747190 [0,1,0,0,0,1|0,0,0]=2 2821 B12R1.50 CNC(=O)Cc1cccc(c1)C 11a_106832991635_100011206899 [0,1,0,0,0,1|0,0,0]=2 2822 B12R1.50 CNC(=O)Cc1cccc(c1)C 1626a_100102657272_100011206899 [0,1,0,0,0,1|0,0,0]=2 2823 B12R1.50 CNC(=O)Cc1cccc(c1)C 240690a_100102657272_100011206899 [0,1,0,0,0,1|0,0,0]=2 2824 B12R1.50 CNC(=O)Cc1cccc(c1)C 527a_100102657272_100011206899 [0,1,0,0,0,1|0,0,0]=2 2825 B12R1.50 CNC(=O)Cc1cccc(c1)Cl 11a_106832991635_100000749307 [0,1,0,0,0,1|0,0,0]=2 2826 B12R1.50 CNC(=O)Cc1cccc(c1)Cl 1626a_100102657272_100000749307 [0,1,0,0,0,1|0,0,0]=2 2827 B12R1.50 CNC(=O)Cc1cccc(c1)Cl 240690a_100102657272_100000749307 [0,1,0,0,0,1|0,0,0]=2 2828 B12R1.50 CNC(=O)Cc1cccc(c1)Cl 527a_100102657272_100000749307 [0,1,0,0,0,1|0,0,0]=2 2829 B12R1.50 CNC(=O)Cc1cccc(c1)F 11a_106832991635_100000211661 [0,1,0,0,0,1|0,0,0]=2 2830 B12R1.50 CNC(=O)Cc1cccc(c1)F 1626a_100102657272_100000211661 [0,1,0,0,0,1|0,0,0]=2 2831 B12R1.50 CNC(=O)Cc1cccc(c1)F 240690a_100102657272_100000211661 [0,1,0,0,0,1|0,0,0]=2 2832 B12R1.50 CNC(=O)Cc1cccc(c1)F 527a_100102657272_100000211661 [0,1,0,0,0,1|0,0,0]=2 2833 B12R1.50 CNC(=O)Cc1cccc(c1)I 11a_106832991635_100000238430 [0,1,0,0,0,1|0,0,0]=2 2834 B12R1.50 CNC(=O)Cc1cccc(c1)I 1626a_100102657272_100000238430 [0,1,0,0,0,1|0,0,0]=2 2835 B12R1.50 CNC(=O)Cc1cccc(c1)I 240690a_100102657272_100000238430 [0,1,0,0,0,1|0,0,0]=2 2836 B12R1.50 CNC(=O)Cc1cccc(c1)I 527a_100102657272_100000238430 [0,1,0,0,0,1|0,0,0]=2 2837 B12R1.50 CNC(=O)Cc1cccc(c1)O 240690a_100102657272_100000745134 [0,1,0,0,0,1|0,0,0]=2 2838 B12R1.50 CNC(=O)Cc1cccc(c1)O 527a_100102657272_100000745134 [0,1,0,0,0,1|0,0,0]=2 2839 B12R1.50 CNC(=O)Cc1cccc(n1)Br 11a_106832991635_100010201708 [0,1,0,0,0,1|1,0,0]=3 2840 B12R1.50 CNC(=O)Cc1cccc(n1)Br 240690a_100102657272_100010201708 [0,1,0,0,0,1|1,0,0]=3 2841 B12R1.50 CNC(=O)Cc1cccc(n1)Br 527a_100102657272_100010201708 [0,1,0,0,0,1|1,0,0]=3 2842 B12R1.50 CNC(=O)Cc1cccc(n1)C 11a_106832991635_100012001110 [0,1,0,0,0,1|1,0,0]=3 2843 B12R1.50 CNC(=O)Cc1cccc(n1)C 1626a_100102657272_100012001110 [0,1,0,0,0,1|1,0,0]=3 2844 B12R1.50 CNC(=O)Cc1cccc(n1)C 240690a_100102657272_100012001110 [0,1,0,0,0,1|1,0,0]=3 2845 B12R1.50 CNC(=O)Cc1cccc(n1)C 527a_100102657272_100012001110 [0,1,0,0,0,1|1,0,0]=3 2846 B12R1.50 CNC(=O)Cc1cccc(n1)Cl 11a_106832991635_100000090259 [0,1,0,0,0,1|1,0,0]=3 2847 B12R1.50 CNC(=O)Cc1cccc(n1)Cl 1626a_100102657272_100000090259 [0,1,0,0,0,1|1,0,0]=3 2848 B12R1.50 CNC(=O)Cc1cccc(n1)Cl 240690a_100102657272_100000090259 [0,1,0,0,0,1|1,0,0]=3 2849 B12R1.50 CNC(=O)Cc1cccc(n1)F 11a_106832991635_100000096803 [0,1,0,0,0,1|1,0,0]=3 2850 B12R1.50 CNC(=O)Cc1cccc(n1)F 1626a_100102657272_100000096803 [0,1,0,0,0,1|1,0,0]=3 2851 B12R1.50 CNC(=O)Cc1cccc(n1)F 240690a_100102657272_100000096803 [0,1,0,0,0,1|1,0,0]=3 2852 B12R1.50 CNC(=O)Cc1ccnc(c1)Br 11a_106832991635_100010126891 [0,1,0,0,0,1|1,0,0]=3 2853 B12R1.50 CNC(=O)Cc1ccnc(c1)Br 240690a_100102657272_100010126891 [0,1,0,0,0,1|1,0,0]=3 2854 B12R1.50 CNC(=O)Cc1ccnc(c1)Br 527a_100102657272_100010126891 [0,1,0,0,0,1|1,0,0]=3 2855 B12R1.50 CNC(=O)Cc1ccnc(c1)Cl 11a_106832991635_100000085289 [0,1,0,0,0,1|1,0,0]=3 2856 B12R1.50 CNC(=O)Cc1ccnc(c1)Cl 1626a_100102657272_100000085289 [0,1,0,0,0,1|1,0,0]=3 2857 B12R1.50 CNC(=O)Cc1ccnc(c1)Cl 240690a_100102657272_100000085289 [0,1,0,0,0,1|1,0,0]=3 2858 B12R1.50 CNC(=O)Cc1ccnc(c1)Cl 527a_100102657272_100000085289 [0,1,0,0,0,1|1,0,0]=3 2859 B12R1.50 CNC(=O)Cc1cncc(c1)Br 11a_106832991635_100000239331 [0,1,0,0,0,1|1,0,0]=3 2860 B12R1.50 CNC(=O)Cc1cncc(c1)Br 240690a_100102657272_100000239331 [0,1,0,0,0,1|1,0,0]=3 2861 B12R1.50 CNC(=O)Cc1cncc(c1)Br 527a_100102657272_100000239331 [0,1,0,0,0,1|1,0,0]=3 2862 B12R1.50 CNC(=O)Cc1cncc(c1)F 11a_106832991635_100011667516 [0,1,0,0,0,1|1,0,0]=3 2863 B12R1.50 CNC(=O)Cc1cncc(c1)F 240690a_100102657272_100011667516 [0,1,0,0,0,1|1,0,0]=3 2864 B12R1.50 CNC(=O)Cc1cncc(c1)F 527a_100102657272_100011667516 [0,1,0,0,0,1|1,0,0]=3 2865 B12R1.50 CNC(=O)Cc1cncc(n1)Cl 11a_106832991635_100000095580 [0,1,0,0,0,1|2,0,0]=4 2866 B12R1.50 CNC(=O)Cc1cncc(n1)Cl 1626a_100102657272_100000095580 [0,1,0,0,0,1|2,0,0]=4 2867 B12R1.50 CNC(=O)Cc1cncc(n1)Cl 240690a_100102657272_100000095580 [0,1,0,0,0,1|2,0,0]=4 2868 B12R1.50 CNC(=O)Cc1cncc(n1)Cl 527a_100102657272_100000095580 [0,1,0,0,0,1|2,0,0]=4 2869 B12R1.50 CNC(=O)Nc1cccc(c1)Br 2430a_100000210019_100102657272 [0,1,0,0,0,1|0,0,0]=2 2870 B12R1.50 CNC(=O)Nc1cccc(c1)Br 512a_100000210019_100102657272 [0,1,0,0,0,1|0,0,0]=2 2871 B12R1.50 CNC(=O)Nc1cccc(c1)C 2430a_100000188690_100102657272 [0,1,0,0,0,1|0,0,0]=2 2872 B12R1.50 CNC(=O)Nc1cccc(c1)C 512a_100000188690_100102657272 [0,1,0,0,0,1|0,0,0]=2 2873 B12R1.50 CNC(=O)Nc1cccc(c1)Cl 2430a_100000185859_100102657272 [0,1,0,0,0,1|0,0,0]=2 2874 B12R1.50 CNC(=O)Nc1cccc(c1)F 2430a_100000210047_100102657272 [0,1,0,0,0,1|0,0,0]=2 2875 B12R1.50 CNC(=O)Nc1cccc(c1)F 512a_100000210047_100102657272 [0,1,0,0,0,1|0,0,0]=2 2876 B12R1.50 CNC(=O)Nc1cccc(c1)I 2430a_100000211102_100102657272 [0,1,0,0,0,1|0,0,0]=2 2877 B12R1.50 CNC(=O)Nc1cccc(c1)I 512a_100000211102_100102657272 [0,1,0,0,0,1|0,0,0]=2 2878 B12R1.50 CNC(=O)Nc1cccc(c1)O 2430a_100000210217_100102657272 [0,1,0,0,0,1|0,0,0]=2 2879 B12R1.50 CNC(=O)Nc1cccc(c1)O 512a_100000210217_100102657272 [0,1,0,0,0,1|0,0,0]=2 2880 B12R1.50 CNC(C)Cc1cccc(c1)Br 270004a_106832991635_100000689217 [0,1,0,0,0,1|1,0,1]=4 2881 B12R1.50 CNC(C)Cc1cccc(c1)Cl 270004a_106832991635_100000727212 [0,1,0,0,0,1|1,0,1]=4 2882 B12R1.50 CNC(C)Cc1cccc(c1)F 270004a_106832991635_100000687711 [0,1,0,0,0,1|1,0,1]=4 2883 B12R1.50 COC(=O)Cc1cc(ccn1)O 271570a_203496583355_100010275543 [0,1,0,0,0,1|2,0,0]=4 2884 B12R1.50 COC(=O)Cc1cccc(c1)O 271570a_203496583355_100000699549 [0,1,0,0,0,1|1,0,0]=3 2885 B12R1.50 COC(=O)Cc1cccc(n1)O 271570a_203496583355_100000094215 [0,1,0,0,0,1|2,0,0]=4 2886 B12R1.50 COC(=O)Cc1ccnc(c1)O 271570a_203496583355_100010135589 [0,1,0,0,0,1|2,0,0]=4 2887 B12R1.50 Cc1cccc(c1)CC(=O)CF 1458a_100011206899_100015361967 [0,1,0,0,0,1|2,0,0]=4 2888 B12R1.50 Cc1cccc(c1)CC(=O)CO 1458a_100000210174_100000211840 [0,1,0,0,0,1|2,0,0]=4 2889 B12R1.50 Cc1cccc(c1)NC(=O)CO 22a_100000188690_100000210174 [0,1,0,0,0,1|2,0,0]=4 2890 B12R1.50 Cc1cccc(c1)NC(=O)CO 527a_100000188690_100000210174 [0,1,0,0,0,1|2,0,0]=4 2891 B12R1.50 O=C(CF)Cc1cccc(c1)Br 1458a_100000747190_100015361967 [0,1,0,0,0,1|2,0,0]=4 2892 B12R1.50 O=C(CF)Cc1cccc(c1)Cl 1458a_100000749307_100015361967 [0,1,0,0,0,1|2,0,0]=4 2893 B12R1.50 O=C(CF)Cc1cccc(c1)F 1458a_100000211661_100015361967 [0,1,0,0,0,1|2,0,0]=4 2894 B12R1.50 O=C(CF)Cc1cccc(c1)I 1458a_100000238430_100015361967 [0,1,0,0,0,1|2,0,0]=4 2895 B12R1.50 O=C(CF)Cc1cccc(c1)O 1458a_100000745134_100015361967 [0,1,0,0,0,1|2,0,0]=4 2896 B12R1.50 O=C(CO)Cc1cccc(c1)Br 1458a_100000210174_100000211773 [0,1,0,0,0,1|2,0,0]=4 2897 B12R1.50 O=C(CO)Cc1cccc(c1)Cl 1458a_100000210174_100000181238 [0,1,0,0,0,1|2,0,0]=4 2898 B12R1.50 O=C(CO)Cc1cccc(c1)F 1458a_100000210174_100000230114 [0,1,0,0,0,1|2,0,0]=4 2899 B12R1.50 O=C(CO)Cc1cccc(c1)I 1458a_100000210174_100011218688 [0,1,0,0,0,1|2,0,0]=4 2900 B12R1.50 O=C(CO)Cc1cccc(c1)O 1458a_100000210174_100011660834 [0,1,0,0,0,1|2,0,0]=4 2901 B12R1.50 O=C(CO)Nc1cccc(c1)Br 22a_100000210019_100000210174 [0,1,0,0,0,1|2,0,0]=4 2902 B12R1.50 O=C(CO)Nc1cccc(c1)Br 527a_100000210019_100000210174 [0,1,0,0,0,1|2,0,0]=4 2903 B12R1.50 O=C(CO)Nc1cccc(c1)Cl 22a_100000185859_100000210174 [0,1,0,0,0,1|2,0,0]=4 2904 B12R1.50 O=C(CO)Nc1cccc(c1)F 22a_100000210047_100000210174 [0,1,0,0,0,1|2,0,0]=4 2905 B12R1.50 O=C(CO)Nc1cccc(c1)F 527a_100000210047_100000210174 [0,1,0,0,0,1|2,0,0]=4 2906 B12R1.50 O=C(CO)Nc1cccc(c1)I 22a_100000211102_100000210174 [0,1,0,0,0,1|2,0,0]=4 2907 B12R1.50 O=C(CO)Nc1cccc(c1)I 527a_100000211102_100000210174 [0,1,0,0,0,1|2,0,0]=4 2908 B12R1.50 O=C(CO)Nc1cccc(c1)O 22a_100000210217_100000210174 [0,1,0,0,0,1|2,0,0]=4 2909 B12R1.50 O=C(CO)Nc1cccc(c1)O 527a_100000210217_100000210174 [0,1,0,0,0,1|2,0,0]=4 2910 B12R1.118 CCC(Cc1ccccc1)NC 270004a_106832991635_100000212045 [0,1,0,0,0,1|1,0,1]=4 2911 B12R1.118 CNC(C#N)Cc1ccccc1 2230a_100000746547_200000210301 [0,1,0,0,0,1|1,0,1]=4 2912 B12R1.118 CNC(C#N)Cc1ccccc1 7a_106832991635_100000183401 [0,1,0,0,0,1|1,0,1]=4 2913 B12R1.118 CNC(CO)Cc1ccccc1 2230a_100000739027_200000210301 [0,1,0,0,0,1|0,0,2]=4 2914 B12R1.118 [13CH3]NC(C#N)Cc1ccccc1 2230a_100000746547_200025704644 [0,1,0,0,0,1|1,0,1]=4 2915 B12R1.118 [13CH3]NC(CO)Cc1ccccc1 2230a_100000739027_200025704644 [0,1,0,0,0,1|0,0,2]=4 2916 B12R1.194 CCS(=O)(=O)Nc1ccccc1 232682a_100000106764_100000211323 [0,1,0,0,0,1|2,0,0]=4 2917 B12R1.194 CNC(F)(F)Oc1ccccc1 7a_106832991635_200000057402 [0,1,0,0,0,1|1,0,1]=4 2918 B12R1.194 CNS(=O)(=O)Cc1ccccc1 270084a_100102657272_100000211737 [0,1,0,0,0,1|1,0,0]=3 2919 B12R1.194 CNS(=O)(=O)Cc1ccccc1 274078a_100102657272_100000211737 [0,1,0,0,0,1|1,0,0]=3 2920 B12R1.194 CNS(=O)(=O)Cc1ccccc1 40a_100102657272_100000235865 [0,1,0,0,0,1|1,0,0]=3 2921 B12R1.371 C#CC(=O)Cc1ccccc1Br 1458a_100000211873_100000184730 [0,1,0,0,0,1|1,0,1]=4 2922 B12R1.371 C#CC(=O)Cc1ccccc1C 1458a_100000211873_100000211839 [0,1,0,0,0,1|1,0,1]=4 2923 B12R1.371 C#CC(=O)Cc1ccccc1Cl 1458a_100000211873_100000187162 [0,1,0,0,0,1|1,0,1]=4 2924 B12R1.371 C#CC(=O)Cc1ccccc1F 1458a_100000211873_100000187165 [0,1,0,0,0,1|1,0,1]=4 2925 B12R1.371 C#CC(=O)Cc1ccccc1I 1458a_100000211873_100011216222 [0,1,0,0,0,1|1,0,1]=4 2926 B12R1.371 C=CC(=O)Cc1ccccc1Br 1458a_100000185746_100000184730 [0,1,0,0,0,1|1,0,1]=4 2927 B12R1.371 C=CC(=O)Cc1ccccc1C 1458a_100000185746_100000211839 [0,1,0,0,0,1|1,0,1]=4 2928 B12R1.371 C=CC(=O)Cc1ccccc1Cl 1458a_100000185746_100000187162 [0,1,0,0,0,1|1,0,1]=4 2929 B12R1.371 C=CC(=O)Cc1ccccc1F 1458a_100000185746_100000187165 [0,1,0,0,0,1|1,0,1]=4 2930 B12R1.371 C=CC(=O)Cc1ccccc1I 1458a_100000185746_100011216222 [0,1,0,0,0,1|1,0,1]=4 2931 B12R1.371 C=CC(=O)Nc1ccccc1Br 1626a_100000210017_100000185746 [0,1,0,0,0,1|1,0,1]=4 2932 B12R1.371 C=CC(=O)Nc1ccccc1C 1626a_100015192222_100000185746 [0,1,0,0,0,1|1,0,1]=4 2933 B12R1.371 C=CC(=O)Nc1ccccc1C 22a_100015192222_100000185746 [0,1,0,0,0,1|1,0,1]=4 2934 B12R1.371 C=CC(=O)Nc1ccccc1Cl 1626a_100000185783_100000185746 [0,1,0,0,0,1|1,0,1]=4 2935 B12R1.371 C=CC(=O)Nc1ccccc1Cl 22a_100000185783_100000185746 [0,1,0,0,0,1|1,0,1]=4 2936 B12R1.371 C=CC(=O)Nc1ccccc1F 1626a_100000210422_100000185746 [0,1,0,0,0,1|1,0,1]=4 2937 B12R1.371 C=CC(=O)Nc1ccccc1F 22a_100000210422_100000185746 [0,1,0,0,0,1|1,0,1]=4 2938 B12R1.371 C=CC(=O)Nc1ccccc1I 1626a_100000210053_100000185746 [0,1,0,0,0,1|1,0,1]=4 2939 B12R1.371 C=CC(=O)Nc1ccccc1O 22a_100000185747_100000185746 [0,1,0,0,0,1|1,0,1]=4 2940 B12R1.371 CCC(=O)Cc1ccccc1Br 1458a_100000210414_100000184730 [0,1,0,0,0,1|1,0,0]=3 2941 B12R1.371 CCC(=O)Cc1ccccc1Br 1458a_100000751119_100000210202 [0,1,0,0,0,1|1,0,0]=3 2942 B12R1.371 CCC(=O)Cc1ccccc1C 1458a_100000210414_100000211839 [0,1,0,0,0,1|1,0,0]=3 2943 B12R1.371 CCC(=O)Cc1ccccc1C 1458a_100000212180_100000210202 [0,1,0,0,0,1|1,0,0]=3 2944 B12R1.371 CCC(=O)Cc1ccccc1Cl 1458a_100000183793_100000210202 [0,1,0,0,0,1|1,0,0]=3 2945 B12R1.371 CCC(=O)Cc1ccccc1Cl 1458a_100000210414_100000187162 [0,1,0,0,0,1|1,0,0]=3 2946 B12R1.371 CCC(=O)Cc1ccccc1F 1458a_100000210414_100000187165 [0,1,0,0,0,1|1,0,0]=3 2947 B12R1.371 CCC(=O)Cc1ccccc1F 1458a_100000212012_100000210202 [0,1,0,0,0,1|1,0,0]=3 2948 B12R1.371 CCC(=O)Cc1ccccc1I 1458a_100000036491_100000210202 [0,1,0,0,0,1|1,0,0]=3 2949 B12R1.371 CCC(=O)Cc1ccccc1I 1458a_100000210414_100011216222 [0,1,0,0,0,1|1,0,0]=3 2950 B12R1.371 CCC(=O)Cc1ccccc1O 1458a_100000743006_100000210202 [0,1,0,0,0,1|1,0,0]=3 2951 B12R1.371 CCC(=O)Cc1cccnc1Br 1458a_100000210414_100010140945 [0,1,0,0,0,1|2,0,0]=4 2952 B12R1.371 CCC(=O)Cc1cccnc1C 1458a_100000210414_100000732876 [0,1,0,0,0,1|2,0,0]=4 2953 B12R1.371 CCC(=O)Cc1cccnc1Cl 1458a_100000093521_100000210202 [0,1,0,0,0,1|2,0,0]=4 2954 B12R1.371 CCC(=O)Cc1cccnc1Cl 1458a_100000210414_100000045678 [0,1,0,0,0,1|2,0,0]=4 2955 B12R1.371 CCC(=O)Cc1cccnc1F 1458a_100000210414_100000099810 [0,1,0,0,0,1|2,0,0]=4 2956 B12R1.371 CCC(=O)Cc1ccncc1C 1458a_100000210414_100020672808 [0,1,0,0,0,1|2,0,0]=4 2957 B12R1.371 CCC(=O)Cc1ccncc1Cl 1458a_100000210414_100000763264 [0,1,0,0,0,1|2,0,0]=4 2958 B12R1.371 CCC(=O)Cc1cnccc1C 1458a_100000210414_100000690890 [0,1,0,0,0,1|2,0,0]=4 2959 B12R1.371 CCC(=O)Cc1ncccc1Br 1458a_100000210414_100025702911 [0,1,0,0,0,1|2,0,0]=4 2960 B12R1.371 CCC(=O)Cc1ncccc1Br 1458a_200012357574_100000210202 [0,1,0,0,0,1|2,0,0]=4 2961 B12R1.371 CCC(=O)Cc1ncccc1C 1458a_100000210414_100000696600 [0,1,0,0,0,1|2,0,0]=4 2962 B12R1.371 CCC(=O)Cc1ncccc1C 1458a_200000722269_100000210202 [0,1,0,0,0,1|2,0,0]=4 2963 B12R1.371 CCC(=O)Cc1ncccc1Cl 1458a_100000210414_100000099807 [0,1,0,0,0,1|2,0,0]=4 2964 B12R1.371 CCC(=O)Cc1ncccc1Cl 1458a_100011998755_100000210202 [0,1,0,0,0,1|2,0,0]=4 2965 B12R1.371 CCC(=O)Cc1ncccc1F 1458a_100000210414_100000104219 [0,1,0,0,0,1|2,0,0]=4 2966 B12R1.371 CCC(=O)Cc1ncccc1O 1458a_100000210414_200020655725 [0,1,0,0,0,1|2,0,0]=4 2967 B12R1.371 CCC(=O)Cn1ccccc1=O 1458a_100000189665_100000210202 [0,1,0,0,0,1|2,0,0]=4 2968 B12R1.371 CCC(=O)Nc1ccccc1Br 11a_100000210017_100000210414 [0,1,0,0,0,1|1,0,0]=3 2969 B12R1.371 CCC(=O)Nc1ccccc1Br 1626a_100000210017_100000210414 [0,1,0,0,0,1|1,0,0]=3 2970 B12R1.371 CCC(=O)Nc1ccccc1C 11a_100015192222_100000210414 [0,1,0,0,0,1|1,0,0]=3 2971 B12R1.371 CCC(=O)Nc1ccccc1C 1626a_100015192222_100000210414 [0,1,0,0,0,1|1,0,0]=3 2972 B12R1.371 CCC(=O)Nc1ccccc1C 22a_100015192222_100000210414 [0,1,0,0,0,1|1,0,0]=3 2973 B12R1.371 CCC(=O)Nc1ccccc1C 527a_100015192222_100000210414 [0,1,0,0,0,1|1,0,0]=3 2974 B12R1.371 CCC(=O)Nc1ccccc1Cl 11a_100000185783_100000210414 [0,1,0,0,0,1|1,0,0]=3 2975 B12R1.371 CCC(=O)Nc1ccccc1Cl 1626a_100000185783_100000210414 [0,1,0,0,0,1|1,0,0]=3 2976 B12R1.371 CCC(=O)Nc1ccccc1Cl 22a_100000185783_100000210414 [0,1,0,0,0,1|1,0,0]=3 2977 B12R1.371 CCC(=O)Nc1ccccc1Cl 527a_100000185783_100000210414 [0,1,0,0,0,1|1,0,0]=3 2978 B12R1.371 CCC(=O)Nc1ccccc1F 11a_100000210422_100000210414 [0,1,0,0,0,1|1,0,0]=3 2979 B12R1.371 CCC(=O)Nc1ccccc1F 1626a_100000210422_100000210414 [0,1,0,0,0,1|1,0,0]=3 2980 B12R1.371 CCC(=O)Nc1ccccc1F 22a_100000210422_100000210414 [0,1,0,0,0,1|1,0,0]=3 2981 B12R1.371 CCC(=O)Nc1ccccc1F 527a_100000210422_100000210414 [0,1,0,0,0,1|1,0,0]=3 2982 B12R1.371 CCC(=O)Nc1ccccc1I 11a_100000210053_100000210414 [0,1,0,0,0,1|1,0,0]=3 2983 B12R1.371 CCC(=O)Nc1ccccc1I 1626a_100000210053_100000210414 [0,1,0,0,0,1|1,0,0]=3 2984 B12R1.371 CCC(=O)Nc1ccccc1O 22a_100000185747_100000210414 [0,1,0,0,0,1|1,0,0]=3 2985 B12R1.371 CCC(=O)Nc1ccccc1O 271570a_203496583355_100000153536 [0,1,0,0,0,1|1,0,0]=3 2986 B12R1.371 CCC(=O)Nc1ccccc1O 527a_100000185747_100000210414 [0,1,0,0,0,1|1,0,0]=3 2987 B12R1.371 CNC(=O)Cc1ccccc1Br 11a_106832991635_100000751119 [0,1,0,0,0,1|0,0,0]=2 2988 B12R1.371 CNC(=O)Cc1ccccc1Br 240690a_100102657272_100000751119 [0,1,0,0,0,1|0,0,0]=2 2989 B12R1.371 CNC(=O)Cc1ccccc1Br 527a_100102657272_100000751119 [0,1,0,0,0,1|0,0,0]=2 2990 B12R1.371 CNC(=O)Cc1ccccc1C 11a_106832991635_100000212180 [0,1,0,0,0,1|0,0,0]=2 2991 B12R1.371 CNC(=O)Cc1ccccc1C 1626a_100102657272_100000212180 [0,1,0,0,0,1|0,0,0]=2 2992 B12R1.371 CNC(=O)Cc1ccccc1C 240690a_100102657272_100000212180 [0,1,0,0,0,1|0,0,0]=2 2993 B12R1.371 CNC(=O)Cc1ccccc1C 527a_100102657272_100000212180 [0,1,0,0,0,1|0,0,0]=2 2994 B12R1.371 CNC(=O)Cc1ccccc1Cl 11a_106832991635_100000183793 [0,1,0,0,0,1|0,0,0]=2 2995 B12R1.371 CNC(=O)Cc1ccccc1Cl 1626a_100102657272_100000183793 [0,1,0,0,0,1|0,0,0]=2 2996 B12R1.371 CNC(=O)Cc1ccccc1Cl 240690a_100102657272_100000183793 [0,1,0,0,0,1|0,0,0]=2 2997 B12R1.371 CNC(=O)Cc1ccccc1Cl 527a_100102657272_100000183793 [0,1,0,0,0,1|0,0,0]=2 2998 B12R1.371 CNC(=O)Cc1ccccc1F 11a_106832991635_100000212012 [0,1,0,0,0,1|0,0,0]=2 2999 B12R1.371 CNC(=O)Cc1ccccc1F 1626a_100102657272_100000212012 [0,1,0,0,0,1|0,0,0]=2 3000 B12R1.371 CNC(=O)Cc1ccccc1F 240690a_100102657272_100000212012 [0,1,0,0,0,1|0,0,0]=2 3001 B12R1.371 CNC(=O)Cc1ccccc1F 527a_100102657272_100000212012 [0,1,0,0,0,1|0,0,0]=2 3002 B12R1.371 CNC(=O)Cc1ccccc1I 11a_106832991635_100000036491 [0,1,0,0,0,1|0,0,0]=2 3003 B12R1.371 CNC(=O)Cc1ccccc1I 1626a_100102657272_100000036491 [0,1,0,0,0,1|0,0,0]=2 3004 B12R1.371 CNC(=O)Cc1ccccc1I 240690a_100102657272_100000036491 [0,1,0,0,0,1|0,0,0]=2 3005 B12R1.371 CNC(=O)Cc1ccccc1I 527a_100102657272_100000036491 [0,1,0,0,0,1|0,0,0]=2 3006 B12R1.371 CNC(=O)Cc1ccccc1O 240690a_100102657272_100000743006 [0,1,0,0,0,1|0,0,0]=2 3007 B12R1.371 CNC(=O)Cc1ccccc1O 271570a_203496583355_200009816160 [0,1,0,0,0,1|0,0,0]=2 3008 B12R1.371 CNC(=O)Cc1ccccc1O 527a_100102657272_100000743006 [0,1,0,0,0,1|0,0,0]=2 3009 B12R1.371 CNC(=O)Cc1cccnc1Cl 11a_106832991635_100000093521 [0,1,0,0,0,1|1,0,0]=3 3010 B12R1.371 CNC(=O)Cc1cccnc1Cl 1626a_100102657272_100000093521 [0,1,0,0,0,1|1,0,0]=3 3011 B12R1.371 CNC(=O)Cc1cccnc1Cl 240690a_100102657272_100000093521 [0,1,0,0,0,1|1,0,0]=3 3012 B12R1.371 CNC(=O)Cc1cccnc1Cl 527a_100102657272_100000093521 [0,1,0,0,0,1|1,0,0]=3 3013 B12R1.371 CNC(=O)Cc1ncccc1Br 11a_106832991635_200012357574 [0,1,0,0,0,1|1,0,0]=3 3014 B12R1.371 CNC(=O)Cc1ncccc1Br 240690a_100102657272_200012357574 [0,1,0,0,0,1|1,0,0]=3 3015 B12R1.371 CNC(=O)Cc1ncccc1C 11a_106832991635_200000722269 [0,1,0,0,0,1|1,0,0]=3 3016 B12R1.371 CNC(=O)Cc1ncccc1C 1626a_100102657272_200000722269 [0,1,0,0,0,1|1,0,0]=3 3017 B12R1.371 CNC(=O)Cc1ncccc1C 240690a_100102657272_200000722269 [0,1,0,0,0,1|1,0,0]=3 3018 B12R1.371 CNC(=O)Cc1ncccc1Cl 11a_106832991635_100011998755 [0,1,0,0,0,1|1,0,0]=3 3019 B12R1.371 CNC(=O)Cc1ncccc1Cl 240690a_100102657272_100011998755 [0,1,0,0,0,1|1,0,0]=3 3020 B12R1.371 CNC(=O)Cc1ncccc1Cl 527a_100102657272_100011998755 [0,1,0,0,0,1|1,0,0]=3 3021 B12R1.371 CNC(=O)Cn1ccccc1=O 1626a_100102657272_100000189665 [0,1,0,0,0,1|1,0,0]=3 3022 B12R1.371 CNC(=O)Cn1ccccc1=O 240690a_100102657272_100000189665 [0,1,0,0,0,1|1,0,0]=3 3023 B12R1.371 CNC(=O)Cn1ccccc1=O 527a_100102657272_100000189665 [0,1,0,0,0,1|1,0,0]=3 3024 B12R1.371 CNC(=O)Cn1cccnc1=O 1626a_100102657272_100000738077 [0,1,0,0,0,1|2,0,0]=4 3025 B12R1.371 CNC(=O)Cn1cccnc1=O 240690a_100102657272_100000738077 [0,1,0,0,0,1|2,0,0]=4 3026 B12R1.371 CNC(=O)Cn1ncccc1=O 11a_106832991635_100000238584 [0,1,0,0,0,1|2,0,0]=4 3027 B12R1.371 CNC(=O)Cn1ncccc1=O 1626a_100102657272_100000238584 [0,1,0,0,0,1|2,0,0]=4 3028 B12R1.371 CNC(=O)Cn1ncccc1=O 240690a_100102657272_100000238584 [0,1,0,0,0,1|2,0,0]=4 3029 B12R1.371 CNC(=O)Cn1ncccc1=O 527a_100102657272_100000238584 [0,1,0,0,0,1|2,0,0]=4 3030 B12R1.371 CNC(=O)Nc1ccccc1Br 2430a_100000210017_100102657272 [0,1,0,0,0,1|0,0,0]=2 3031 B12R1.371 CNC(=O)Nc1ccccc1C 2430a_100015192222_100102657272 [0,1,0,0,0,1|0,0,0]=2 3032 B12R1.371 CNC(=O)Nc1ccccc1Cl 2430a_100000185783_100102657272 [0,1,0,0,0,1|0,0,0]=2 3033 B12R1.371 CNC(=O)Nc1ccccc1F 2430a_100000210422_100102657272 [0,1,0,0,0,1|0,0,0]=2 3034 B12R1.371 CNC(=O)Nc1ccccc1I 2430a_100000210053_100102657272 [0,1,0,0,0,1|0,0,0]=2 3035 B12R1.371 CNC(=O)Nc1ccccc1O 2430a_100000185747_100102657272 [0,1,0,0,0,1|0,0,0]=2 3036 B12R1.371 CNC(C)Cc1ccccc1Br 270004a_106832991635_100011350739 [0,1,0,0,0,1|1,0,1]=4 3037 B12R1.371 CNC(C)Cc1ccccc1C 270004a_106832991635_200000764500 [0,1,0,0,0,1|1,0,1]=4 3038 B12R1.371 CNC(C)Cc1ccccc1Cl 270004a_106832991635_100000758791 [0,1,0,0,0,1|1,0,1]=4 3039 B12R1.371 CNC(C)Cc1ccccc1F 270004a_106832991635_100000709178 [0,1,0,0,0,1|1,0,1]=4 3040 B12R1.371 COC(=O)Cc1ccccc1O 271570a_203496583355_100000699816 [0,1,0,0,0,1|1,0,0]=3 3041 B12R1.371 COC(=O)Cc1cccnc1O 271570a_203496583355_100010293180 [0,1,0,0,0,1|2,0,0]=4 3042 B12R1.371 COC(=O)Cc1ncccc1O 271570a_203496583355_100012347948 [0,1,0,0,0,1|2,0,0]=4 3043 B12R1.371 COC(=O)Nc1ccccc1O 271570a_203496583355_100000216184 [0,1,0,0,0,1|1,0,0]=3 3044 B12R1.371 Cc1ccccc1CC(=O)CF 1458a_100000212180_100015361967 [0,1,0,0,0,1|2,0,0]=4 3045 B12R1.371 Cc1ccccc1CC(=O)CO 1458a_100000210174_100000211839 [0,1,0,0,0,1|2,0,0]=4 3046 B12R1.371 Cc1ccccc1NC(=O)CO 22a_100015192222_100000210174 [0,1,0,0,0,1|2,0,0]=4 3047 B12R1.371 Cc1ccccc1NC(=O)CO 527a_100015192222_100000210174 [0,1,0,0,0,1|2,0,0]=4 3048 B12R1.371 NNC(=O)Cc1ccccc1O 271570a_203496583355_200010210069 [0,1,0,0,0,1|1,0,0]=3 3049 B12R1.371 O=C(CF)Cc1ccccc1Br 1458a_100000751119_100015361967 [0,1,0,0,0,1|2,0,0]=4 3050 B12R1.371 O=C(CF)Cc1ccccc1Cl 1458a_100000183793_100015361967 [0,1,0,0,0,1|2,0,0]=4 3051 B12R1.371 O=C(CF)Cc1ccccc1F 1458a_100000212012_100015361967 [0,1,0,0,0,1|2,0,0]=4 3052 B12R1.371 O=C(CF)Cc1ccccc1I 1458a_100000036491_100015361967 [0,1,0,0,0,1|2,0,0]=4 3053 B12R1.371 O=C(CF)Cc1ccccc1O 1458a_100000743006_100015361967 [0,1,0,0,0,1|2,0,0]=4 3054 B12R1.371 O=C(CO)Cc1ccccc1Br 1458a_100000210174_100000184730 [0,1,0,0,0,1|2,0,0]=4 3055 B12R1.371 O=C(CO)Cc1ccccc1Cl 1458a_100000210174_100000187162 [0,1,0,0,0,1|2,0,0]=4 3056 B12R1.371 O=C(CO)Cc1ccccc1F 1458a_100000210174_100000187165 [0,1,0,0,0,1|2,0,0]=4 3057 B12R1.371 O=C(CO)Cc1ccccc1I 1458a_100000210174_100011216222 [0,1,0,0,0,1|2,0,0]=4 3058 B12R1.371 O=C(CO)Nc1ccccc1Cl 22a_100000185783_100000210174 [0,1,0,0,0,1|2,0,0]=4 3059 B12R1.371 O=C(CO)Nc1ccccc1Cl 527a_100000185783_100000210174 [0,1,0,0,0,1|2,0,0]=4 3060 B12R1.371 O=C(CO)Nc1ccccc1F 22a_100000210422_100000210174 [0,1,0,0,0,1|2,0,0]=4 3061 B12R1.371 O=C(CO)Nc1ccccc1F 527a_100000210422_100000210174 [0,1,0,0,0,1|2,0,0]=4 3062 B12R1.371 O=C(CO)Nc1ccccc1O 22a_100000185747_100000210174 [0,1,0,0,0,1|2,0,0]=4 3063 B12R1.371 O=C(CO)Nc1ccccc1O 527a_100000185747_100000210174 [0,1,0,0,0,1|2,0,0]=4 3064 B12R1.9 CC(C)(N[13CH3])c1ccc(cc1)Br 2230a_100000739617_200025704644 [0,2,0,0,0,0|1,0,1]=4 3065 B12R1.9 CC(C)(N[13CH3])c1ccc(cc1)Cl 2230a_100000750703_200025704644 [0,2,0,0,0,0|1,0,1]=4 3066 B12R1.9 CC(C)(N[13CH3])c1ccc(cc1)F 2230a_100015193028_200025704644 [0,2,0,0,0,0|1,0,1]=4 3067 B12R1.9 CC(C)(N[13CH3])c1ccc(cc1)F 34a_100015193028_200025704644 [0,2,0,0,0,0|1,0,1]=4 3068 B12R1.9 CCS(=O)(=O)c1ccc(cc1)O 271570a_203496583355_100000765143 [0,2,0,0,0,0|2,0,0]=4 3069 B12R1.9 CNC(C)(C)c1ccc(cc1)Br 2230a_100000739617_200000210301 [0,2,0,0,0,0|1,0,1]=4 3070 B12R1.9 CNC(C)(C)c1ccc(cc1)C 2230a_200011345931_200000210301 [0,2,0,0,0,0|1,0,1]=4 3071 B12R1.9 CNC(C)(C)c1ccc(cc1)C 34a_200011345931_200000210301 [0,2,0,0,0,0|1,0,1]=4 3072 B12R1.9 CNC(C)(C)c1ccc(cc1)Cl 2230a_100000750703_200000210301 [0,2,0,0,0,0|1,0,1]=4 3073 B12R1.9 CNC(C)(C)c1ccc(cc1)F 2230a_100015193028_200000210301 [0,2,0,0,0,0|1,0,1]=4 3074 B12R1.9 CNC(C)(C)c1ccc(cc1)F 34a_100015193028_200000210301 [0,2,0,0,0,0|1,0,1]=4 3075 B12R1.9 CNS(=O)(=O)c1ccc(cc1)Br 270084a_100102657272_100000182491 [0,2,0,0,0,0|1,0,0]=3 3076 B12R1.9 CNS(=O)(=O)c1ccc(cc1)Br 274078a_100102657272_100000182491 [0,2,0,0,0,0|1,0,0]=3 3077 B12R1.9 CNS(=O)(=O)c1ccc(cc1)Br 40a_100102657272_100010306709 [0,2,0,0,0,0|1,0,0]=3 3078 B12R1.9 CNS(=O)(=O)c1ccc(cc1)C 270084a_100102657272_100000211267 [0,2,0,0,0,0|1,0,0]=3 3079 B12R1.9 CNS(=O)(=O)c1ccc(cc1)C 274078a_100102657272_100000211267 [0,2,0,0,0,0|1,0,0]=3 3080 B12R1.9 CNS(=O)(=O)c1ccc(cc1)C 40a_100102657272_100000039673 [0,2,0,0,0,0|1,0,0]=3 3081 B12R1.9 CNS(=O)(=O)c1ccc(cc1)Cl 270084a_100102657272_100000209962 [0,2,0,0,0,0|1,0,0]=3 3082 B12R1.9 CNS(=O)(=O)c1ccc(cc1)Cl 274078a_100102657272_100000209962 [0,2,0,0,0,0|1,0,0]=3 3083 B12R1.9 CNS(=O)(=O)c1ccc(cc1)Cl 40a_100102657272_100000077732 [0,2,0,0,0,0|1,0,0]=3 3084 B12R1.9 CNS(=O)(=O)c1ccc(cc1)F 270084a_100102657272_100000184267 [0,2,0,0,0,0|1,0,0]=3 3085 B12R1.9 CNS(=O)(=O)c1ccc(cc1)F 274078a_100102657272_100000184267 [0,2,0,0,0,0|1,0,0]=3 3086 B12R1.9 CNS(=O)(=O)c1ccc(cc1)F 40a_100102657272_100000081159 [0,2,0,0,0,0|1,0,0]=3 3087 B12R1.9 CNS(=O)(=O)c1ccc(cc1)I 270084a_100102657272_100011205396 [0,2,0,0,0,0|1,0,0]=3 3088 B12R1.9 CNS(=O)(=O)c1ccc(cc1)I 274078a_100102657272_100011205396 [0,2,0,0,0,0|1,0,0]=3 3089 B12R1.9 CNS(=O)(=O)c1ccc(cc1)N 40a_100102657272_100000054796 [0,2,0,0,0,0|1,0,0]=3 3090 B12R1.9 CNS(=O)(=O)c1ccc(cc1)O 270084a_100102657272_100020667864 [0,2,0,0,0,0|1,0,0]=3 3091 B12R1.9 CNS(=O)(=O)c1ccc(cc1)O 271570a_203496583355_100000754977 [0,2,0,0,0,0|1,0,0]=3 3092 B12R1.9 CNS(=O)(=O)c1ccc(cc1)O 274078a_100102657272_100020667864 [0,2,0,0,0,0|1,0,0]=3 3093 B12R1.9 CNS(=O)(=O)c1ccc(cn1)Br 270084a_100102657272_100011361808 [0,2,0,0,0,0|2,0,0]=4 3094 B12R1.9 CNS(=O)(=O)c1ccc(cn1)Br 274078a_100102657272_100011361808 [0,2,0,0,0,0|2,0,0]=4 3095 B12R1.9 CNS(=O)(=O)c1ccc(nc1)C 270084a_100102657272_100000719016 [0,2,0,0,0,0|2,0,0]=4 3096 B12R1.9 CNS(=O)(=O)c1ccc(nc1)C 274078a_100102657272_100000719016 [0,2,0,0,0,0|2,0,0]=4 3097 B12R1.9 CNS(=O)(=O)c1ccc(nc1)Cl 270084a_100102657272_100000184283 [0,2,0,0,0,0|2,0,0]=4 3098 B12R1.9 CNS(=O)(=O)c1ccc(nc1)Cl 274078a_100102657272_100000184283 [0,2,0,0,0,0|2,0,0]=4 3099 B12R1.9 COS(=O)(=O)c1ccc(cc1)O 271570a_203496583355_100000004522 [0,2,0,0,0,0|2,0,0]=4 3100 B12R1.9 Cc1ccc(cc1)C(C)(C)N[13CH3] 2230a_200011345931_200025704644 [0,2,0,0,0,0|1,0,1]=4 3101 B12R1.9 Cc1ccc(cc1)C(C)(C)N[13CH3] 34a_200011345931_200025704644 [0,2,0,0,0,0|1,0,1]=4 3102 B12R1.9 NNS(=O)(=O)c1ccc(cc1)O 271570a_203496583355_100000183514 [0,2,0,0,0,0|2,0,0]=4 3103 B12R1.10 CC(C)(N[13CH3])c1cccc(c1)Br 2230a_100016995529_200025704644 [0,2,0,0,0,0|1,0,1]=4 3104 B12R1.10 CC(C)(N[13CH3])c1cccc(c1)Cl 2230a_100020605014_200025704644 [0,2,0,0,0,0|1,0,1]=4 3105 B12R1.10 CC(C)(N[13CH3])c1cccc(c1)F 2230a_100016993694_200025704644 [0,2,0,0,0,0|1,0,1]=4 3106 B12R1.10 CC(C)(N[13CH3])c1cccc(c1)F 34a_100016993694_200025704644 [0,2,0,0,0,0|1,0,1]=4 3107 B12R1.10 CCS(=O)(=O)c1cccc(c1)O 271570a_203496583355_100009815775 [0,2,0,0,0,0|2,0,0]=4 3108 B12R1.10 CNC(C)(C)c1cccc(c1)Br 2230a_100016995529_200000210301 [0,2,0,0,0,0|1,0,1]=4 3109 B12R1.10 CNC(C)(C)c1cccc(c1)Cl 2230a_100020605014_200000210301 [0,2,0,0,0,0|1,0,1]=4 3110 B12R1.10 CNC(C)(C)c1cccc(c1)F 2230a_100016993694_200000210301 [0,2,0,0,0,0|1,0,1]=4 3111 B12R1.10 CNC(C)(C)c1cccc(c1)F 34a_100016993694_200000210301 [0,2,0,0,0,0|1,0,1]=4 3112 B12R1.10 CNS(=O)(=O)c1cccc(c1)Br 270084a_100102657272_100000184224 [0,2,0,0,0,0|1,0,0]=3 3113 B12R1.10 CNS(=O)(=O)c1cccc(c1)Br 274078a_100102657272_100000184224 [0,2,0,0,0,0|1,0,0]=3 3114 B12R1.10 CNS(=O)(=O)c1cccc(c1)Br 40a_100102657272_100010340488 [0,2,0,0,0,0|1,0,0]=3 3115 B12R1.10 CNS(=O)(=O)c1cccc(c1)C 270084a_100102657272_100000182797 [0,2,0,0,0,0|1,0,0]=3 3116 B12R1.10 CNS(=O)(=O)c1cccc(c1)C 274078a_100102657272_100000182797 [0,2,0,0,0,0|1,0,0]=3 3117 B12R1.10 CNS(=O)(=O)c1cccc(c1)C 40a_100102657272_100010983817 [0,2,0,0,0,0|1,0,0]=3 3118 B12R1.10 CNS(=O)(=O)c1cccc(c1)Cl 270084a_100102657272_100000182923 [0,2,0,0,0,0|1,0,0]=3 3119 B12R1.10 CNS(=O)(=O)c1cccc(c1)Cl 274078a_100102657272_100000182923 [0,2,0,0,0,0|1,0,0]=3 3120 B12R1.10 CNS(=O)(=O)c1cccc(c1)F 270084a_100102657272_100000184201 [0,2,0,0,0,0|1,0,0]=3 3121 B12R1.10 CNS(=O)(=O)c1cccc(c1)F 274078a_100102657272_100000184201 [0,2,0,0,0,0|1,0,0]=3 3122 B12R1.10 CNS(=O)(=O)c1cccc(c1)N 40a_100102657272_100000034547 [0,2,0,0,0,0|1,0,0]=3 3123 B12R1.10 CNS(=O)(=O)c1cccc(c1)O 271570a_203496583355_100000165148 [0,2,0,0,0,0|1,0,0]=3 3124 B12R1.10 CNS(=O)(=O)c1cccc(n1)Br 270084a_100102657272_100010247296 [0,2,0,0,0,0|2,0,0]=4 3125 B12R1.10 CNS(=O)(=O)c1cccc(n1)Br 274078a_100102657272_100010247296 [0,2,0,0,0,0|2,0,0]=4 3126 B12R1.10 CNS(=O)(=O)c1cccc(n1)Cl 270084a_100102657272_100000071421 [0,2,0,0,0,0|2,0,0]=4 3127 B12R1.10 CNS(=O)(=O)c1cccc(n1)Cl 274078a_100102657272_100000071421 [0,2,0,0,0,0|2,0,0]=4 3128 B12R1.10 CNS(=O)(=O)c1cccc(n1)F 274078a_100102657272_100000099853 [0,2,0,0,0,0|2,0,0]=4 3129 B12R1.10 CNS(=O)(=O)c1cncc(c1)Br 270084a_100102657272_100000745557 [0,2,0,0,0,0|2,0,0]=4 3130 B12R1.10 CNS(=O)(=O)c1cncc(c1)Br 274078a_100102657272_100000745557 [0,2,0,0,0,0|2,0,0]=4 3131 B12R1.10 CNS(=O)(=O)c1cncc(c1)O 271570a_203496583355_200011549042 [0,2,0,0,0,0|2,0,0]=4 3132 B12R1.39 CC(C)(CN[13CH3])c1ccccc1 2230a_100011211644_200025704644 [0,2,0,0,0,0|1,0,1]=4 3133 B12R1.39 CC(O)(CN[13CH3])c1ccccc1 2230a_100011660926_200025704644 [0,2,0,0,0,0|0,0,2]=4 3134 B12R1.39 CCNC(C)(C)c1ccccc1 2230a_100011218174_100000210202 [0,2,0,0,0,0|1,0,1]=4 3135 B12R1.39 CCNC(C)(C)c1ccccc1 2230a_100015525214_100000034625 [0,2,0,0,0,0|1,0,1]=4 3136 B12R1.39 CCNS(=O)(=O)c1ccccc1 270084a_100015525214_100000210345 [0,2,0,0,0,0|1,0,0]=3 3137 B12R1.39 CCNS(=O)(=O)c1ccccc1 274078a_100015525214_100000210345 [0,2,0,0,0,0|1,0,0]=3 3138 B12R1.39 CCNS(=O)(=O)c1ccccc1 40a_100015525214_100000032697 [0,2,0,0,0,0|1,0,0]=3 3139 B12R1.39 CCNS(=O)(=O)c1ccccn1 270084a_100015525214_100016994956 [0,2,0,0,0,0|2,0,0]=4 3140 B12R1.39 CCNS(=O)(=O)c1ccccn1 274078a_100015525214_100016994956 [0,2,0,0,0,0|2,0,0]=4 3141 B12R1.39 CCNS(=O)(=O)c1ccccn1 40a_100015525214_100000070048 [0,2,0,0,0,0|2,0,0]=4 3142 B12R1.39 CCNS(=O)(=O)c1cccnc1 270084a_100015525214_100000736704 [0,2,0,0,0,0|2,0,0]=4 3143 B12R1.39 CCNS(=O)(=O)c1cccnc1 274078a_100015525214_100000736704 [0,2,0,0,0,0|2,0,0]=4 3144 B12R1.39 CNCC(C)(C)c1ccccc1 2230a_100011211644_200000210301 [0,2,0,0,0,0|1,0,1]=4 3145 B12R1.39 CNCC(C)(O)c1ccccc1 2230a_100011660926_200000210301 [0,2,0,0,0,0|0,0,2]=4 3146 B12R1.39 CNCC(F)(F)c1ccccc1 34a_100000717977_200000210301 [0,2,0,0,0,0|1,0,1]=4 3147 B12R1.39 CNCC(F)(F)c1ccccc1 34a_100102657272_100009875531 [0,2,0,0,0,0|1,0,1]=4 3148 B12R1.39 CNCS(=O)(=O)c1ccccc1 34a_100102657272_200009813291 [0,2,0,0,0,0|1,0,0]=3 3149 B12R1.39 CNC[Si](C)(C)c1ccccc1 2230a_106832991635_100000038972 [0,2,0,0,0,0|1,1,0]=4 3150 B12R1.39 CNC[Si](C)(C)c1ccccc1 7a_106832991635_100000038972 [0,2,0,0,0,0|1,1,0]=4 3151 B12R1.39 CNNS(=O)(=O)c1ccccc1 40a_100016993582_100000032697 [0,2,0,0,0,0|1,0,0]=3 3152 B12R1.39 CNNS(=O)(=O)c1ccccn1 40a_100016993582_100000070048 [0,2,0,0,0,0|2,0,0]=4 3153 B12R1.39 COCS(=O)(=O)c1ccccc1 34a_100138415774_200009813291 [0,2,0,0,0,0|2,0,0]=4 3154 B12R1.39 CSCS(=O)(=O)c1ccccc1 62a_100000240042_200000210301 [0,2,0,0,0,0|2,0,0]=4 3155 B12R1.39 CSCS(=O)(=O)c1ccccc1 62a_200000210301_100000240042 [0,2,0,0,0,0|2,0,0]=4 3156 B12R1.39 [13CH3]NCC(F)(F)c1ccccc1 34a_100000717977_200025704644 [0,2,0,0,0,0|1,0,1]=4 3157 B12R1.39 [13CH3]SCS(=O)(=O)c1ccccc1 62a_100000240042_200025704644 [0,2,0,0,0,0|2,0,0]=4 3158 B12R1.39 [13CH3]SCS(=O)(=O)c1ccccc1 62a_200025704644_100000240042 [0,2,0,0,0,0|2,0,0]=4 3159 B12R1.195 CC(C)(N[13CH3])c1ccccc1Br 2230a_100020606264_200025704644 [0,2,0,0,0,0|1,0,1]=4 3160 B12R1.195 CC(C)(N[13CH3])c1ccccc1Cl 2230a_100020606166_200025704644 [0,2,0,0,0,0|1,0,1]=4 3161 B12R1.195 CC(C)(N[13CH3])c1ccccc1Cl 34a_100020606166_200025704644 [0,2,0,0,0,0|1,0,1]=4 3162 B12R1.195 CC(C)(N[13CH3])c1ccccc1F 2230a_100000734538_200025704644 [0,2,0,0,0,0|1,0,1]=4 3163 B12R1.195 CC(C)(N[13CH3])c1ccccc1F 34a_100000734538_200025704644 [0,2,0,0,0,0|1,0,1]=4 3164 B12R1.195 CNC(C)(C)c1ccccc1Br 2230a_100020606264_200000210301 [0,2,0,0,0,0|1,0,1]=4 3165 B12R1.195 CNC(C)(C)c1ccccc1Cl 2230a_100020606166_200000210301 [0,2,0,0,0,0|1,0,1]=4 3166 B12R1.195 CNC(C)(C)c1ccccc1Cl 34a_100020606166_200000210301 [0,2,0,0,0,0|1,0,1]=4 3167 B12R1.195 CNC(C)(C)c1ccccc1F 2230a_100000734538_200000210301 [0,2,0,0,0,0|1,0,1]=4 3168 B12R1.195 CNC(C)(C)c1ccccc1F 34a_100000734538_200000210301 [0,2,0,0,0,0|1,0,1]=4 3169 B12R1.195 CNC(F)(F)c1ccccc1F 2230a_106832991635_100000070671 [0,2,0,0,0,0|1,0,1]=4 3170 B12R1.195 CNC(F)(F)c1ccccc1F 34a_100102657272_100000070671 [0,2,0,0,0,0|1,0,1]=4 3171 B12R1.195 CNC(F)(F)c1ccccc1F 7a_106832991635_100000070671 [0,2,0,0,0,0|1,0,1]=4 3172 B12R1.195 CNS(=O)(=O)c1ccccc1Br 270084a_100102657272_100000184729 [0,2,0,0,0,0|1,0,0]=3 3173 B12R1.195 CNS(=O)(=O)c1ccccc1Br 274078a_100102657272_100000184729 [0,2,0,0,0,0|1,0,0]=3 3174 B12R1.195 CNS(=O)(=O)c1ccccc1Br 40a_100102657272_100010380725 [0,2,0,0,0,0|1,0,0]=3 3175 B12R1.195 CNS(=O)(=O)c1ccccc1C 270084a_100102657272_100000750907 [0,2,0,0,0,0|1,0,0]=3 3176 B12R1.195 CNS(=O)(=O)c1ccccc1C 274078a_100102657272_100000750907 [0,2,0,0,0,0|1,0,0]=3 3177 B12R1.195 CNS(=O)(=O)c1ccccc1C 40a_100102657272_100010269479 [0,2,0,0,0,0|1,0,0]=3 3178 B12R1.195 CNS(=O)(=O)c1ccccc1Cl 270084a_100102657272_100000184199 [0,2,0,0,0,0|1,0,0]=3 3179 B12R1.195 CNS(=O)(=O)c1ccccc1Cl 274078a_100102657272_100000184199 [0,2,0,0,0,0|1,0,0]=3 3180 B12R1.195 CNS(=O)(=O)c1ccccc1F 270084a_100102657272_100000184916 [0,2,0,0,0,0|1,0,0]=3 3181 B12R1.195 CNS(=O)(=O)c1ccccc1F 274078a_100102657272_100000184916 [0,2,0,0,0,0|1,0,0]=3 3182 B12R1.195 CNS(=O)(=O)c1ccccc1I 270084a_100102657272_100011191325 [0,2,0,0,0,0|1,0,0]=3 3183 B12R1.195 CNS(=O)(=O)c1ccccc1I 274078a_100102657272_100011191325 [0,2,0,0,0,0|1,0,0]=3 3184 B12R1.195 CNS(=O)(=O)c1ccccc1N 40a_100102657272_100000703237 [0,2,0,0,0,0|1,0,0]=3 3185 B12R1.195 CNS(=O)(=O)c1ccccc1O 271570a_203496583355_200000165157 [0,2,0,0,0,0|1,0,0]=3 3186 B12R1.195 CNS(=O)(=O)c1cccnc1Cl 270084a_100102657272_100000737393 [0,2,0,0,0,0|2,0,0]=4 3187 B12R1.195 CNS(=O)(=O)c1cccnc1Cl 274078a_100102657272_100000737393 [0,2,0,0,0,0|2,0,0]=4 3188 B12R1.195 CNS(=O)(=O)c1cccnc1F 274078a_100102657272_100000103413 [0,2,0,0,0,0|2,0,0]=4 3189 B12R1.195 CNS(=O)(=O)c1cnccc1Cl 270084a_100102657272_200000749572 [0,2,0,0,0,0|2,0,0]=4 3190 B12R1.195 CNS(=O)(=O)c1cnccc1Cl 274078a_100102657272_200000749572 [0,2,0,0,0,0|2,0,0]=4 3191 B12R1.195 NNS(=O)(=O)c1ccccc1O 271570a_203496583355_200011248379 [0,2,0,0,0,0|2,0,0]=4 3192 B12R1.253 CN(C)C(C)(C)c1ccccc1 2230a_100102631434_100000034625 [0,2,0,0,0,0|1,0,1]=4 3193 B12R1.253 CN(C)C(C)(C)c1ccccc1 269982a_100102631434_100000034625 [0,2,0,0,0,0|1,0,1]=4 3194 B12R1.253 CN(C)C(F)(F)c1ccccc1 269982a_100102631434_100000036403 [0,2,0,0,0,0|1,0,1]=4 3195 B12R1.253 CN(C)S(=O)(=O)c1ccccc1 270084a_100102631434_100000210345 [0,2,0,0,0,0|1,0,0]=3 3196 B12R1.253 CN(C)S(=O)(=O)c1ccccc1 274078a_100102631434_100000210345 [0,2,0,0,0,0|1,0,0]=3 3197 B12R1.253 CN(C)S(=O)(=O)c1ccccc1 40a_100102631434_100000032697 [0,2,0,0,0,0|1,0,0]=3 3198 B12R1.253 CN(C)S(=O)(=O)c1ccccn1 270084a_100102631434_100016994956 [0,2,0,0,0,0|2,0,0]=4 3199 B12R1.253 CN(C)S(=O)(=O)c1ccccn1 274078a_100102631434_100016994956 [0,2,0,0,0,0|2,0,0]=4 3200 B12R1.253 CN(C)S(=O)(=O)c1ccccn1 40a_100102631434_100000070048 [0,2,0,0,0,0|2,0,0]=4 3201 B12R1.253 CN(C)S(=O)(=O)c1cccnc1 270084a_100102631434_100000736704 [0,2,0,0,0,0|2,0,0]=4 3202 B12R1.253 CN(C)S(=O)(=O)c1cccnc1 274078a_100102631434_100000736704 [0,2,0,0,0,0|2,0,0]=4 3203 B12R1.3 C=CC(NCC)c1ccccc1 2230a_100015525214_200000085779 [0,2,0,0,0,0|1,0,1]=4 3204 B12R1.3 CCC(CNC)c1ccccc1 270004a_106832991635_100000753018 [0,2,0,0,0,0|1,0,1]=4 3205 B12R1.3 CCCC(NC)c1ccccc1 2230a_100000189686_200000210301 [0,2,0,0,0,0|1,0,1]=4 3206 B12R1.3 CCCC(NC)c1ccccc1 269862a_106832991636_100000211045 [0,2,0,0,0,0|1,0,1]=4 3207 B12R1.3 CCCC(NC)c1ccccc1 34a_100000189686_200000210301 [0,2,0,0,0,0|1,0,1]=4 3208 B12R1.3 CCCC(N[13CH3])c1ccccc1 2230a_100000189686_200025704644 [0,2,0,0,0,0|1,0,1]=4 3209 B12R1.3 CCCC(N[13CH3])c1ccccc1 34a_100000189686_200025704644 [0,2,0,0,0,0|1,0,1]=4 3210 B12R1.3 CCN(CC=O)c1ccccc1 2230a_100000210013_200015260668 [0,2,0,0,0,0|2,0,0]=4 3211 B12R1.3 CCN(CC=O)c1ccccc1 269982a_100000210013_200015260668 [0,2,0,0,0,0|2,0,0]=4 3212 B12R1.3 CCN(CC=O)c1ccccc1 34a_100000210013_200009817547 [0,2,0,0,0,0|2,0,0]=4 3213 B12R1.3 CCNC(CC)c1ccccc1 2230a_100000737752_100000210202 [0,2,0,0,0,0|1,0,1]=4 3214 B12R1.3 CCNC(CC)c1ccccc1 269862a_100015525214_100000210124 [0,2,0,0,0,0|1,0,1]=4 3215 B12R1.3 CCN[C@H](CO)c1ccccc1 2230a_100000751927_100000210202 [0,2,0,0,0,0|0,0,2]=4 3216 B12R1.3 CCN[C@H](CO)c1ccccc1 34a_100000751927_100000210202 [0,2,0,0,0,0|0,0,2]=4 3217 B12R1.3 CNC(CCCl)c1ccccc1 2230a_106832991635_200010132975 [0,2,0,0,0,0|1,0,1]=4 3218 B12R1.3 CNC(CCCl)c1ccccc1 7a_106832991635_200010132975 [0,2,0,0,0,0|1,0,1]=4 3219 B12R1.3 CNC(COC)c1ccccc1 269862a_106832991636_100000765260 [0,2,0,0,0,0|0,0,2]=4 3220 B12R1.3 CN[C@@H](CCO)c1ccccc1 2230a_100025705951_200000210301 [0,2,0,0,0,0|0,0,2]=4 3221 B12R1.3 CN[C@H](COC)c1ccccc1 2230a_103619048568_200000210301 [0,2,0,0,0,0|0,0,2]=4 3222 B12R1.3 CN[C@H](COC)c1ccccc1 34a_103619048568_200000210301 [0,2,0,0,0,0|0,0,2]=4 3223 B12R1.3 COC[C@@H](N[13CH3])c1ccccc1 2230a_103619048568_200025704644 [0,2,0,0,0,0|0,0,2]=4 3224 B12R1.3 COC[C@@H](N[13CH3])c1ccccc1 34a_103619048568_200025704644 [0,2,0,0,0,0|0,0,2]=4 3225 B12R1.3 OC[C@@H](NCF)c1ccccc1 34a_100000751927_100015361967 [0,2,0,0,0,0|0,0,2]=4 3226 B12R1.3 [13CH3]N[C@@H](CCO)c1ccccc1 2230a_100025705951_200025704644 [0,2,0,0,0,0|0,0,2]=4 3227 B12R1.12 CCC(NC)c1ccc(cc1)Br 269862a_106832991636_100000211647 [0,2,0,0,0,0|1,0,1]=4 3228 B12R1.12 CCC(NC)c1ccc(cc1)C 2230a_100000749201_200000210301 [0,2,0,0,0,0|1,0,1]=4 3229 B12R1.12 CCC(NC)c1ccc(cc1)C 269862a_106832991636_100000185863 [0,2,0,0,0,0|1,0,1]=4 3230 B12R1.12 CCC(NC)c1ccc(cc1)C 34a_100000749201_200000210301 [0,2,0,0,0,0|1,0,1]=4 3231 B12R1.12 CCC(NC)c1ccc(cc1)Cl 269862a_106832991636_100000210983 [0,2,0,0,0,0|1,0,1]=4 3232 B12R1.12 CCC(NC)c1ccc(cc1)F 2230a_100011191751_200000210301 [0,2,0,0,0,0|1,0,1]=4 3233 B12R1.12 CCC(NC)c1ccc(cc1)F 269862a_106832991636_100000211089 [0,2,0,0,0,0|1,0,1]=4 3234 B12R1.12 CCC(NC)c1ccc(cc1)F 34a_100011191751_200000210301 [0,2,0,0,0,0|1,0,1]=4 3235 B12R1.12 CCC(NC)c1ccc(cc1)I 269862a_106832991636_100000763097 [0,2,0,0,0,0|1,0,1]=4 3236 B12R1.12 CCC(NC)c1ccc(cc1)O 271570a_203496583355_100000231127 [0,2,0,0,0,0|1,0,1]=4 3237 B12R1.12 CCC(NC)c1ccc(cc1)O 34a_100015187210_200000210301 [0,2,0,0,0,0|1,0,1]=4 3238 B12R1.12 CCC(N[13CH3])c1ccc(cc1)C 2230a_100000749201_200025704644 [0,2,0,0,0,0|1,0,1]=4 3239 B12R1.12 CCC(N[13CH3])c1ccc(cc1)C 34a_100000749201_200025704644 [0,2,0,0,0,0|1,0,1]=4 3240 B12R1.12 CCC(N[13CH3])c1ccc(cc1)F 2230a_100011191751_200025704644 [0,2,0,0,0,0|1,0,1]=4 3241 B12R1.12 CCC(N[13CH3])c1ccc(cc1)F 34a_100011191751_200025704644 [0,2,0,0,0,0|1,0,1]=4 3242 B12R1.12 CCC(N[13CH3])c1ccc(cc1)O 34a_100015187210_200025704644 [0,2,0,0,0,0|1,0,1]=4 3243 B12R1.12 CC[C@H](NC)c1ccc(cc1)Br 2230a_100025736560_200000210301 [0,2,0,0,0,0|1,0,1]=4 3244 B12R1.12 CC[C@H](NC)c1ccc(cc1)Br 34a_100025736560_200000210301 [0,2,0,0,0,0|1,0,1]=4 3245 B12R1.12 CC[C@H](NC)c1ccc(cc1)Cl 2230a_100015186824_200000210301 [0,2,0,0,0,0|1,0,1]=4 3246 B12R1.12 CC[C@H](NC)c1ccc(cc1)Cl 34a_100015186824_200000210301 [0,2,0,0,0,0|1,0,1]=4 3247 B12R1.12 CC[C@H](N[13CH3])c1ccc(cc1)Br 2230a_100025736560_200025704644 [0,2,0,0,0,0|1,0,1]=4 3248 B12R1.12 CC[C@H](N[13CH3])c1ccc(cc1)Br 34a_100025736560_200025704644 [0,2,0,0,0,0|1,0,1]=4 3249 B12R1.12 CC[C@H](N[13CH3])c1ccc(cc1)Cl 2230a_100015186824_200025704644 [0,2,0,0,0,0|1,0,1]=4 3250 B12R1.12 CC[C@H](N[13CH3])c1ccc(cc1)Cl 34a_100015186824_200025704644 [0,2,0,0,0,0|1,0,1]=4 3251 B12R1.12 CNC(C#N)c1ccc(cc1)Cl 2230a_100000747793_200000210301 [0,2,0,0,0,0|1,0,1]=4 3252 B12R1.12 CNC(C#N)c1ccc(cc1)F 2230a_100020612109_200000210301 [0,2,0,0,0,0|1,0,1]=4 3253 B12R1.12 CNC(C#N)c1ccc(cc1)F 34a_100020612109_200000210301 [0,2,0,0,0,0|1,0,1]=4 3254 B12R1.12 CNC(CO)c1ccc(cc1)Br 2230a_100000734186_200000210301 [0,2,0,0,0,0|0,0,2]=4 3255 B12R1.12 CNC(CO)c1ccc(cc1)Br 34a_100000734186_200000210301 [0,2,0,0,0,0|0,0,2]=4 3256 B12R1.12 CNC(CO)c1ccc(cc1)F 2230a_100000705410_200000210301 [0,2,0,0,0,0|0,0,2]=4 3257 B12R1.12 CNC(CO)c1ccc(cc1)F 34a_100000705410_200000210301 [0,2,0,0,0,0|0,0,2]=4 3258 B12R1.12 CN[C@@H](CO)c1ccc(cc1)C 2230a_100009818840_200000210301 [0,2,0,0,0,0|0,0,2]=4 3259 B12R1.12 CN[C@@H](CO)c1ccc(cc1)C 34a_100009818840_200000210301 [0,2,0,0,0,0|0,0,2]=4 3260 B12R1.12 CN[C@H](CO)c1ccc(cc1)Cl 2230a_100009818818_200000210301 [0,2,0,0,0,0|0,0,2]=4 3261 B12R1.12 CN[C@H](CO)c1ccc(cc1)Cl 34a_100009818818_200000210301 [0,2,0,0,0,0|0,0,2]=4 3262 B12R1.12 Cc1ccc(cc1)[C@H](CO)N[13CH3] 2230a_100009818840_200025704644 [0,2,0,0,0,0|0,0,2]=4 3263 B12R1.12 Cc1ccc(cc1)[C@H](CO)N[13CH3] 34a_100009818840_200025704644 [0,2,0,0,0,0|0,0,2]=4 3264 B12R1.12 [13CH3]NC(C#N)c1ccc(cc1)Cl 2230a_100000747793_200025704644 [0,2,0,0,0,0|1,0,1]=4 3265 B12R1.12 [13CH3]NC(C#N)c1ccc(cc1)F 2230a_100020612109_200025704644 [0,2,0,0,0,0|1,0,1]=4 3266 B12R1.12 [13CH3]NC(C#N)c1ccc(cc1)F 34a_100020612109_200025704644 [0,2,0,0,0,0|1,0,1]=4 3267 B12R1.12 [13CH3]NC(CO)c1ccc(cc1)Br 2230a_100000734186_200025704644 [0,2,0,0,0,0|0,0,2]=4 3268 B12R1.12 [13CH3]NC(CO)c1ccc(cc1)Br 34a_100000734186_200025704644 [0,2,0,0,0,0|0,0,2]=4 3269 B12R1.12 [13CH3]NC(CO)c1ccc(cc1)F 2230a_100000705410_200025704644 [0,2,0,0,0,0|0,0,2]=4 3270 B12R1.12 [13CH3]NC(CO)c1ccc(cc1)F 34a_100000705410_200025704644 [0,2,0,0,0,0|0,0,2]=4 3271 B12R1.12 [13CH3]N[C@H](CO)c1ccc(cc1)Cl 2230a_100009818818_200025704644 [0,2,0,0,0,0|0,0,2]=4 3272 B12R1.12 [13CH3]N[C@H](CO)c1ccc(cc1)Cl 34a_100009818818_200025704644 [0,2,0,0,0,0|0,0,2]=4 3273 B12R1.13 CCC(NC)c1cccc(c1)Br 269862a_106832991636_100000211677 [0,2,0,0,0,0|1,0,1]=4 3274 B12R1.13 CCC(NC)c1cccc(c1)C 269862a_106832991636_100000730664 [0,2,0,0,0,0|1,0,1]=4 3275 B12R1.13 CCC(NC)c1cccc(c1)Cl 2230a_100000737531_200000210301 [0,2,0,0,0,0|1,0,1]=4 3276 B12R1.13 CCC(NC)c1cccc(c1)Cl 269862a_106832991636_100000211052 [0,2,0,0,0,0|1,0,1]=4 3277 B12R1.13 CCC(NC)c1cccc(c1)Cl 34a_100000737531_200000210301 [0,2,0,0,0,0|1,0,1]=4 3278 B12R1.13 CCC(NC)c1cccc(c1)F 2230a_100159265421_200000210301 [0,2,0,0,0,0|1,0,1]=4 3279 B12R1.13 CCC(NC)c1cccc(c1)F 269862a_106832991636_100000687998 [0,2,0,0,0,0|1,0,1]=4 3280 B12R1.13 CCC(NC)c1cccc(c1)F 34a_100159265421_200000210301 [0,2,0,0,0,0|1,0,1]=4 3281 B12R1.13 CCC(NC)c1cccc(c1)O 2230a_100159312145_200000210301 [0,2,0,0,0,0|1,0,1]=4 3282 B12R1.13 CCC(NC)c1cccc(c1)O 269862a_106832991636_100011996911 [0,2,0,0,0,0|1,0,1]=4 3283 B12R1.13 CCC(NC)c1cccc(c1)O 34a_100159312145_200000210301 [0,2,0,0,0,0|1,0,1]=4 3284 B12R1.13 CCC(N[13CH3])c1cccc(c1)Cl 2230a_100000737531_200025704644 [0,2,0,0,0,0|1,0,1]=4 3285 B12R1.13 CCC(N[13CH3])c1cccc(c1)Cl 34a_100000737531_200025704644 [0,2,0,0,0,0|1,0,1]=4 3286 B12R1.13 CCC(N[13CH3])c1cccc(c1)F 2230a_100159265421_200025704644 [0,2,0,0,0,0|1,0,1]=4 3287 B12R1.13 CCC(N[13CH3])c1cccc(c1)F 34a_100159265421_200025704644 [0,2,0,0,0,0|1,0,1]=4 3288 B12R1.13 CCC(N[13CH3])c1cccc(c1)O 2230a_100159312145_200025704644 [0,2,0,0,0,0|1,0,1]=4 3289 B12R1.13 CCC(N[13CH3])c1cccc(c1)O 34a_100159312145_200025704644 [0,2,0,0,0,0|1,0,1]=4 3290 B12R1.13 CC[C@@H](NC)c1cccc(c1)C 2230a_200016991486_200000210301 [0,2,0,0,0,0|1,0,1]=4 3291 B12R1.13 CC[C@@H](NC)c1cccc(c1)C 34a_200016991486_200000210301 [0,2,0,0,0,0|1,0,1]=4 3292 B12R1.13 CC[C@@H](N[13CH3])c1cccc(c1)C 2230a_200016991486_200025704644 [0,2,0,0,0,0|1,0,1]=4 3293 B12R1.13 CC[C@@H](N[13CH3])c1cccc(c1)C 34a_200016991486_200025704644 [0,2,0,0,0,0|1,0,1]=4 3294 B12R1.13 CC[C@H](NC)c1cccc(c1)Br 2230a_100102422761_200000210301 [0,2,0,0,0,0|1,0,1]=4 3295 B12R1.13 CC[C@H](NC)c1cccc(c1)Br 34a_100102422761_200000210301 [0,2,0,0,0,0|1,0,1]=4 3296 B12R1.13 CC[C@H](N[13CH3])c1cccc(c1)Br 2230a_100102422761_200025704644 [0,2,0,0,0,0|1,0,1]=4 3297 B12R1.13 CC[C@H](N[13CH3])c1cccc(c1)Br 34a_100102422761_200025704644 [0,2,0,0,0,0|1,0,1]=4 3298 B12R1.13 CNC(CO)c1cccc(c1)Br 2230a_100000690078_200000210301 [0,2,0,0,0,0|0,0,2]=4 3299 B12R1.13 CNC(CO)c1cccc(c1)Br 34a_100000690078_200000210301 [0,2,0,0,0,0|0,0,2]=4 3300 B12R1.13 CNC(CO)c1cccc(c1)O 2230a_100025717460_200000210301 [0,2,0,0,0,0|0,0,2]=4 3301 B12R1.13 CNC(CO)c1cccc(c1)O 34a_100025717460_200000210301 [0,2,0,0,0,0|0,0,2]=4 3302 B12R1.13 CN[C@@H](CO)c1cccc(c1)Cl 2230a_100032004910_200000210301 [0,2,0,0,0,0|0,0,2]=4 3303 B12R1.13 CN[C@@H](CO)c1cccc(c1)Cl 34a_100032004910_200000210301 [0,2,0,0,0,0|0,0,2]=4 3304 B12R1.13 CN[C@H](CO)c1cccc(c1)C 2230a_100009818812_200000210301 [0,2,0,0,0,0|0,0,2]=4 3305 B12R1.13 CN[C@H](CO)c1cccc(c1)C 34a_100009818812_200000210301 [0,2,0,0,0,0|0,0,2]=4 3306 B12R1.13 CN[C@H](CO)c1cccc(c1)F 2230a_100020641251_200000210301 [0,2,0,0,0,0|0,0,2]=4 3307 B12R1.13 CN[C@H](CO)c1cccc(c1)F 34a_100020641251_200000210301 [0,2,0,0,0,0|0,0,2]=4 3308 B12R1.13 Cc1cccc(c1)[C@@H](CO)N[13CH3] 2230a_100009818812_200025704644 [0,2,0,0,0,0|0,0,2]=4 3309 B12R1.13 Cc1cccc(c1)[C@@H](CO)N[13CH3] 34a_100009818812_200025704644 [0,2,0,0,0,0|0,0,2]=4 3310 B12R1.13 [13CH3]NC(CO)c1cccc(c1)Br 2230a_100000690078_200025704644 [0,2,0,0,0,0|0,0,2]=4 3311 B12R1.13 [13CH3]NC(CO)c1cccc(c1)Br 34a_100000690078_200025704644 [0,2,0,0,0,0|0,0,2]=4 3312 B12R1.13 [13CH3]NC(CO)c1cccc(c1)O 2230a_100025717460_200025704644 [0,2,0,0,0,0|0,0,2]=4 3313 B12R1.13 [13CH3]NC(CO)c1cccc(c1)O 34a_100025717460_200025704644 [0,2,0,0,0,0|0,0,2]=4 3314 B12R1.13 [13CH3]N[C@@H](CO)c1cccc(c1)Cl 2230a_100032004910_200025704644 [0,2,0,0,0,0|0,0,2]=4 3315 B12R1.13 [13CH3]N[C@@H](CO)c1cccc(c1)Cl 34a_100032004910_200025704644 [0,2,0,0,0,0|0,0,2]=4 3316 B12R1.13 [13CH3]N[C@H](CO)c1cccc(c1)F 2230a_100020641251_200025704644 [0,2,0,0,0,0|0,0,2]=4 3317 B12R1.13 [13CH3]N[C@H](CO)c1cccc(c1)F 34a_100020641251_200025704644 [0,2,0,0,0,0|0,0,2]=4 3318 B12R1.243 CCC(NC)c1ccccc1C 269862a_106832991636_100011350723 [0,2,0,0,0,0|1,0,1]=4 3319 B12R1.243 CCC(NC)c1ccccc1Cl 269862a_106832991636_100011400563 [0,2,0,0,0,0|1,0,1]=4 3320 B12R1.243 CCC(NC)c1ccccc1F 269862a_106832991636_100000686739 [0,2,0,0,0,0|1,0,1]=4 3321 B12R1.243 CC[C@H](NC)c1ccccc1Cl 2230a_200016987949_200000210301 [0,2,0,0,0,0|1,0,1]=4 3322 B12R1.243 CC[C@H](NC)c1ccccc1Cl 34a_200016987949_200000210301 [0,2,0,0,0,0|1,0,1]=4 3323 B12R1.243 CC[C@H](NC)c1ccccc1F 2230a_100015190424_200000210301 [0,2,0,0,0,0|1,0,1]=4 3324 B12R1.243 CC[C@H](NC)c1ccccc1F 34a_100015190424_200000210301 [0,2,0,0,0,0|1,0,1]=4 3325 B12R1.243 CC[C@H](N[13CH3])c1ccccc1Cl 2230a_200016987949_200025704644 [0,2,0,0,0,0|1,0,1]=4 3326 B12R1.243 CC[C@H](N[13CH3])c1ccccc1Cl 34a_200016987949_200025704644 [0,2,0,0,0,0|1,0,1]=4 3327 B12R1.243 CC[C@H](N[13CH3])c1ccccc1F 2230a_100015190424_200025704644 [0,2,0,0,0,0|1,0,1]=4 3328 B12R1.243 CC[C@H](N[13CH3])c1ccccc1F 34a_100015190424_200025704644 [0,2,0,0,0,0|1,0,1]=4 3329 B12R1.243 CNC(C#N)c1ccccc1C 2230a_102495364774_200000210301 [0,2,0,0,0,0|1,0,1]=4 3330 B12R1.243 CNC(CO)c1ccccc1Cl 2230a_100138412506_200000210301 [0,2,0,0,0,0|0,0,2]=4 3331 B12R1.243 CNC(CO)c1ccccc1Cl 34a_100138412506_200000210301 [0,2,0,0,0,0|0,0,2]=4 3332 B12R1.243 CN[C@@H](CO)c1ccccc1F 2230a_100009818778_200000210301 [0,2,0,0,0,0|0,0,2]=4 3333 B12R1.243 CN[C@@H](CO)c1ccccc1F 34a_100009818778_200000210301 [0,2,0,0,0,0|0,0,2]=4 3334 B12R1.243 CN[C@H](CO)c1ccccc1Br 2230a_100161155918_200000210301 [0,2,0,0,0,0|0,0,2]=4 3335 B12R1.243 CN[C@H](CO)c1ccccc1Br 34a_100161155918_200000210301 [0,2,0,0,0,0|0,0,2]=4 3336 B12R1.243 Cc1ccccc1C(C#N)N[13CH3] 2230a_102495364774_200025704644 [0,2,0,0,0,0|1,0,1]=4 3337 B12R1.243 [13CH3]NC(CO)c1ccccc1Cl 2230a_100138412506_200025704644 [0,2,0,0,0,0|0,0,2]=4 3338 B12R1.243 [13CH3]NC(CO)c1ccccc1Cl 34a_100138412506_200025704644 [0,2,0,0,0,0|0,0,2]=4 3339 B12R1.243 [13CH3]N[C@@H](CO)c1ccccc1F 2230a_100009818778_200025704644 [0,2,0,0,0,0|0,0,2]=4 3340 B12R1.243 [13CH3]N[C@@H](CO)c1ccccc1F 34a_100009818778_200025704644 [0,2,0,0,0,0|0,0,2]=4 3341 B12R1.243 [13CH3]N[C@H](CO)c1ccccc1Br 2230a_100161155918_200025704644 [0,2,0,0,0,0|0,0,2]=4 3342 B12R1.243 [13CH3]N[C@H](CO)c1ccccc1Br 34a_100161155918_200025704644 [0,2,0,0,0,0|0,0,2]=4 3343 B12R1.478 C=CC(c1ccccc1)N(C)C 2230a_100102631434_200000085779 [0,2,0,0,0,0|1,0,1]=4 3344 B12R1.478 C=CC(c1ccccc1)N(C)C 269982a_100102631434_200000085779 [0,2,0,0,0,0|1,0,1]=4 3345 B12R1.478 CC(=O)C(S[13CH3])c1ccccc1 62a_100009888967_200025704644 [0,2,0,0,0,0|1,0,1]=4 3346 B12R1.478 CC(=O)C(S[13CH3])c1ccccc1 62a_200025704644_100009888967 [0,2,0,0,0,0|1,0,1]=4 3347 B12R1.478 CC(C)[C@H](N[13CH3])c1ccccc1 2230a_100015186014_200025704644 [0,2,0,0,0,0|1,0,1]=4 3348 B12R1.478 CC(C)[C@H](N[13CH3])c1ccccc1 34a_100015186014_200025704644 [0,2,0,0,0,0|1,0,1]=4 3349 B12R1.478 CCC(C(=O)C)c1ccccc1 1458a_100000211302_200000210301 [0,2,0,0,0,0|1,0,1]=4 3350 B12R1.478 CCC(C(=O)[13CH3])c1ccccc1 1458a_100000211302_200025704644 [0,2,0,0,0,0|1,0,1]=4 3351 B12R1.478 CCC(c1ccccc1)N(C)C 2230a_100000737544_200000210301 [0,2,0,0,0,0|1,0,1]=4 3352 B12R1.478 CCC(c1ccccc1)N(C)C 269982a_100000737544_200000210301 [0,2,0,0,0,0|1,0,1]=4 3353 B12R1.478 CCC(c1ccccc1)N(C)[13CH3] 2230a_100000737544_200025704644 [0,2,0,0,0,0|1,0,1]=4 3354 B12R1.478 CCC(c1ccccc1)N(C)[13CH3] 269982a_100000737544_200025704644 [0,2,0,0,0,0|1,0,1]=4 3355 B12R1.478 CCN(C(=O)C)c1ccccc1 11a_100000210013_100015343762 [0,2,0,0,0,0|2,0,0]=4 3356 B12R1.478 CCN(C(=O)C)c1ccccc1 1626a_100000210013_100015343762 [0,2,0,0,0,0|2,0,0]=4 3357 B12R1.478 CCN(C(=O)C)c1ccccc1 22a_100000210013_100000070787 [0,2,0,0,0,0|2,0,0]=4 3358 B12R1.478 CNC(C(=O)C)c1ccccc1 2230a_106832991635_100009888967 [0,2,0,0,0,0|0,0,1]=3 3359 B12R1.478 CNC(C(=O)C)c1ccccc1 7a_106832991635_100009888967 [0,2,0,0,0,0|0,0,1]=3 3360 B12R1.478 CNC(C(=O)N)c1ccccc1 2230a_106832991635_100000188848 [0,2,0,0,0,0|0,0,1]=3 3361 B12R1.478 CNC(C(=O)N)c1ccccc1 7a_106832991635_100000188848 [0,2,0,0,0,0|0,0,1]=3 3362 B12R1.478 CNC(C(=O)O)c1ccccc1 269956a_100000230147_200000210301 [0,2,0,0,0,0|0,0,1]=3 3363 B12R1.478 CNC(C(=O)O)c1ccccn1 269956a_200016167988_200000210301 [0,2,0,0,0,0|1,0,1]=4 3364 B12R1.478 CN[C@@H](C(=O)N)c1ccccc1 2230a_100011423151_200000210301 [0,2,0,0,0,0|0,0,1]=3 3365 B12R1.478 CN[C@@H](c1ccccc1)[C@H](C)O 2230a_100134616770_200000210301 [0,2,0,0,0,0|0,0,2]=4 3366 B12R1.478 CN[C@H](c1ccccc1)C(C)C 2230a_100015186014_200000210301 [0,2,0,0,0,0|1,0,1]=4 3367 B12R1.478 CN[C@H](c1ccccc1)C(C)C 34a_100015186014_200000210301 [0,2,0,0,0,0|1,0,1]=4 3368 B12R1.478 COC(C(=O)N)c1ccccc1 34a_100011200849_200000210301 [0,2,0,0,0,0|1,0,1]=4 3369 B12R1.478 COC(C(=O)N)c1ccccc1 7a_100011200849_200000210301 [0,2,0,0,0,0|1,0,1]=4 3370 B12R1.478 CO[C@@H](C(=O)C)c1ccccc1 1458a_100000698336_200000210301 [0,2,0,0,0,0|1,0,1]=4 3371 B12R1.478 CO[C@@H](C(=O)[13CH3])c1ccccc1 1458a_100000698336_200025704644 [0,2,0,0,0,0|1,0,1]=4 3372 B12R1.478 CSC(C(=O)C)c1ccccc1 62a_100009888967_200000210301 [0,2,0,0,0,0|1,0,1]=4 3373 B12R1.478 CSC(C(=O)C)c1ccccc1 62a_200000210301_100009888967 [0,2,0,0,0,0|1,0,1]=4 3374 B12R1.478 CSC(C(=O)N)c1ccccc1 62a_100000188848_200000210301 [0,2,0,0,0,0|1,0,1]=4 3375 B12R1.478 CSC(C(=O)N)c1ccccc1 62a_200000210301_100000188848 [0,2,0,0,0,0|1,0,1]=4 3376 B12R1.478 C[C@H](O)[C@@H](N[13CH3])c1ccccc1 2230a_100134616770_200025704644 [0,2,0,0,0,0|0,0,2]=4 3377 B12R1.478 [13CH3]NC(C(=O)O)c1ccccc1 269956a_100000230147_200025704644 [0,2,0,0,0,0|0,0,1]=3 3378 B12R1.478 [13CH3]NC(C(=O)O)c1ccccn1 269956a_200016167988_200025704644 [0,2,0,0,0,0|1,0,1]=4 3379 B12R1.478 [13CH3]N[C@@H](C(=O)N)c1ccccc1 2230a_100011423151_200025704644 [0,2,0,0,0,0|0,0,1]=3 3380 B12R1.478 [13CH3]OC(C(=O)N)c1ccccc1 34a_100011200849_200025704644 [0,2,0,0,0,0|1,0,1]=4 3381 B12R1.478 [13CH3]OC(C(=O)N)c1ccccc1 7a_100011200849_200025704644 [0,2,0,0,0,0|1,0,1]=4 3382 B12R1.478 [13CH3]SC(C(=O)N)c1ccccc1 62a_100000188848_200025704644 [0,2,0,0,0,0|1,0,1]=4 3383 B12R1.478 [13CH3]SC(C(=O)N)c1ccccc1 62a_200025704644_100000188848 [0,2,0,0,0,0|1,0,1]=4 3384 B12R1.16 C#CCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000184674 [0,2,0,0,0,0|1,0,1]=4 3385 B12R1.16 C#CCC(=O)c1ccc(cc1)C 1458a_100000188618_100000184674 [0,2,0,0,0,0|1,0,1]=4 3386 B12R1.16 C#CCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000184674 [0,2,0,0,0,0|1,0,1]=4 3387 B12R1.16 C#CCC(=O)c1ccc(cc1)F 1458a_100000187176_100000184674 [0,2,0,0,0,0|1,0,1]=4 3388 B12R1.16 C#CCC(=O)c1ccc(cc1)I 1458a_100000187904_100000184674 [0,2,0,0,0,0|1,0,1]=4 3389 B12R1.16 C#CCC(=O)c1ccc(cc1)O 1458a_100000212099_100000184674 [0,2,0,0,0,0|1,0,1]=4 3390 B12R1.16 C=CCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000210623 [0,2,0,0,0,0|1,0,1]=4 3391 B12R1.16 C=CCC(=O)c1ccc(cc1)C 1458a_100000188618_100000210623 [0,2,0,0,0,0|1,0,1]=4 3392 B12R1.16 C=CCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000210623 [0,2,0,0,0,0|1,0,1]=4 3393 B12R1.16 C=CCC(=O)c1ccc(cc1)F 1458a_100000187176_100000210623 [0,2,0,0,0,0|1,0,1]=4 3394 B12R1.16 C=CCC(=O)c1ccc(cc1)I 1458a_100000187904_100000210623 [0,2,0,0,0,0|1,0,1]=4 3395 B12R1.16 C=CCC(=O)c1ccc(cc1)O 1458a_100000212099_100000210623 [0,2,0,0,0,0|1,0,1]=4 3396 B12R1.16 CC#CC(=O)c1ccc(cc1)O 271570a_203496583355_100153741113 [0,2,0,0,0,0|1,0,0]=3 3397 B12R1.16 CC(CN[13CH3])c1ccc(cc1)O 34a_200015188644_200025704644 [0,2,0,0,0,0|1,0,1]=4 3398 B12R1.16 CCCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000210303 [0,2,0,0,0,0|1,0,0]=3 3399 B12R1.16 CCCC(=O)c1ccc(cc1)C 1458a_100000188618_100000210303 [0,2,0,0,0,0|1,0,0]=3 3400 B12R1.16 CCCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000210303 [0,2,0,0,0,0|1,0,0]=3 3401 B12R1.16 CCCC(=O)c1ccc(cc1)F 1458a_100000187176_100000210303 [0,2,0,0,0,0|1,0,0]=3 3402 B12R1.16 CCCC(=O)c1ccc(cc1)I 1458a_100000187904_100000210303 [0,2,0,0,0,0|1,0,0]=3 3403 B12R1.16 CCCC(=O)c1ccc(cc1)O 1458a_100000212099_100000210303 [0,2,0,0,0,0|1,0,0]=3 3404 B12R1.16 CCCC(=O)c1ccc(cc1)O 271570a_203496583355_100011267722 [0,2,0,0,0,0|1,0,0]=3 3405 B12R1.16 CCCC(=O)c1ccc(nc1)O 271570a_203496583355_200012185933 [0,2,0,0,0,0|2,0,0]=4 3406 B12R1.16 CCNC(=O)c1ccc(cc1)Br 11a_100015525214_100000185839 [0,2,0,0,0,0|0,0,0]=2 3407 B12R1.16 CCNC(=O)c1ccc(cc1)Br 240690a_100015525214_100000185839 [0,2,0,0,0,0|0,0,0]=2 3408 B12R1.16 CCNC(=O)c1ccc(cc1)Br 527a_100015525214_100000185839 [0,2,0,0,0,0|0,0,0]=2 3409 B12R1.16 CCNC(=O)c1ccc(cc1)C 11a_100015525214_100000188618 [0,2,0,0,0,0|0,0,0]=2 3410 B12R1.16 CCNC(=O)c1ccc(cc1)C 240690a_100015525214_100000188618 [0,2,0,0,0,0|0,0,0]=2 3411 B12R1.16 CCNC(=O)c1ccc(cc1)C 527a_100015525214_100000188618 [0,2,0,0,0,0|0,0,0]=2 3412 B12R1.16 CCNC(=O)c1ccc(cc1)Cl 11a_100015525214_100000210187 [0,2,0,0,0,0|0,0,0]=2 3413 B12R1.16 CCNC(=O)c1ccc(cc1)Cl 240690a_100015525214_100000210187 [0,2,0,0,0,0|0,0,0]=2 3414 B12R1.16 CCNC(=O)c1ccc(cc1)Cl 527a_100015525214_100000210187 [0,2,0,0,0,0|0,0,0]=2 3415 B12R1.16 CCNC(=O)c1ccc(cc1)F 11a_100015525214_100000187176 [0,2,0,0,0,0|0,0,0]=2 3416 B12R1.16 CCNC(=O)c1ccc(cc1)F 240690a_100015525214_100000187176 [0,2,0,0,0,0|0,0,0]=2 3417 B12R1.16 CCNC(=O)c1ccc(cc1)F 527a_100015525214_100000187176 [0,2,0,0,0,0|0,0,0]=2 3418 B12R1.16 CCNC(=O)c1ccc(cc1)I 11a_100015525214_100000187904 [0,2,0,0,0,0|0,0,0]=2 3419 B12R1.16 CCNC(=O)c1ccc(cc1)I 240690a_100015525214_100000187904 [0,2,0,0,0,0|0,0,0]=2 3420 B12R1.16 CCNC(=O)c1ccc(cc1)I 527a_100015525214_100000187904 [0,2,0,0,0,0|0,0,0]=2 3421 B12R1.16 CCNC(=O)c1ccc(cc1)O 240690a_100015525214_100000212099 [0,2,0,0,0,0|0,0,0]=2 3422 B12R1.16 CCNC(=O)c1ccc(cc1)O 271570a_203496583355_100000155177 [0,2,0,0,0,0|0,0,0]=2 3423 B12R1.16 CCNC(=O)c1ccc(cc1)O 527a_100015525214_100000212099 [0,2,0,0,0,0|0,0,0]=2 3424 B12R1.16 CCNC(=O)c1ccc(cn1)O 271570a_203496583355_200011781264 [0,2,0,0,0,0|1,0,0]=3 3425 B12R1.16 CCNC(=O)c1ccc(nc1)O 271570a_203496583355_100000160145 [0,2,0,0,0,0|1,0,0]=3 3426 B12R1.16 CCNC(C)c1ccc(cc1)Br 2230a_100015525214_100000755118 [0,2,0,0,0,0|1,0,1]=4 3427 B12R1.16 CCNC(C)c1ccc(cc1)Br 269862a_100015525214_100000185794 [0,2,0,0,0,0|1,0,1]=4 3428 B12R1.16 CCNC(C)c1ccc(cc1)C 2230a_100015525214_100011261388 [0,2,0,0,0,0|1,0,1]=4 3429 B12R1.16 CCNC(C)c1ccc(cc1)C 269862a_100015525214_100000185793 [0,2,0,0,0,0|1,0,1]=4 3430 B12R1.16 CCNC(C)c1ccc(cc1)Cl 2230a_100015525214_100000684792 [0,2,0,0,0,0|1,0,1]=4 3431 B12R1.16 CCNC(C)c1ccc(cc1)Cl 269862a_100015525214_100000185797 [0,2,0,0,0,0|1,0,1]=4 3432 B12R1.16 CCNC(C)c1ccc(cc1)F 2230a_100015525214_100000743420 [0,2,0,0,0,0|1,0,1]=4 3433 B12R1.16 CCNC(C)c1ccc(cc1)F 269862a_100015525214_100000185800 [0,2,0,0,0,0|1,0,1]=4 3434 B12R1.16 CCNC(C)c1ccc(cc1)I 269862a_100015525214_100000185465 [0,2,0,0,0,0|1,0,1]=4 3435 B12R1.16 CCN[C@@H](C)c1ccc(cc1)F 2230a_100025705893_100000210202 [0,2,0,0,0,0|1,0,1]=4 3436 B12R1.16 CCN[C@@H](C)c1ccc(cc1)F 34a_100025705893_100000210202 [0,2,0,0,0,0|1,0,1]=4 3437 B12R1.16 CCN[C@@H](C)c1ccc(cc1)I 2230a_100000753911_100000210202 [0,2,0,0,0,0|1,0,1]=4 3438 B12R1.16 CCN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_100000210202 [0,2,0,0,0,0|1,0,1]=4 3439 B12R1.16 CCN[C@H](C)c1ccc(cc1)Br 2230a_100000720352_100000210202 [0,2,0,0,0,0|1,0,1]=4 3440 B12R1.16 CCN[C@H](C)c1ccc(cc1)C 2230a_100016988085_100000210202 [0,2,0,0,0,0|1,0,1]=4 3441 B12R1.16 CCN[C@H](C)c1ccc(cc1)C 34a_100016988085_100000210202 [0,2,0,0,0,0|1,0,1]=4 3442 B12R1.16 CCN[C@H](C)c1ccc(cc1)Cl 2230a_100015205461_100000210202 [0,2,0,0,0,0|1,0,1]=4 3443 B12R1.16 CCN[C@H](C)c1ccc(cc1)Cl 34a_100015205461_100000210202 [0,2,0,0,0,0|1,0,1]=4 3444 B12R1.16 CCOC(=O)c1ccc(cc1)O 271570a_203496583355_100000170077 [0,2,0,0,0,0|1,0,0]=3 3445 B12R1.16 CCOC(=O)c1ccc(cn1)O 271570a_203496583355_100011781174 [0,2,0,0,0,0|2,0,0]=4 3446 B12R1.16 CCOC(=O)c1ccc(nc1)O 271570a_203496583355_100000170224 [0,2,0,0,0,0|2,0,0]=4 3447 B12R1.16 CNCC(=O)c1ccc(cc1)Br 34a_100102657272_100000188085 [0,2,0,0,0,0|0,0,0]=2 3448 B12R1.16 CNCC(=O)c1ccc(cc1)Br 7a_106832991635_100000188085 [0,2,0,0,0,0|0,0,0]=2 3449 B12R1.16 CNCC(=O)c1ccc(cc1)C 2230a_106832991635_100000211441 [0,2,0,0,0,0|0,0,0]=2 3450 B12R1.16 CNCC(=O)c1ccc(cc1)C 34a_100102657272_100000211441 [0,2,0,0,0,0|0,0,0]=2 3451 B12R1.16 CNCC(=O)c1ccc(cc1)C 7a_106832991635_100000211441 [0,2,0,0,0,0|0,0,0]=2 3452 B12R1.16 CNCC(=O)c1ccc(cc1)Cl 7a_106832991635_100000211071 [0,2,0,0,0,0|0,0,0]=2 3453 B12R1.16 CNCC(=O)c1ccc(cc1)F 7a_106832991635_100000211279 [0,2,0,0,0,0|0,0,0]=2 3454 B12R1.16 CNCC(=O)c1ccc(cc1)I 34a_100102657272_100011216261 [0,2,0,0,0,0|0,0,0]=2 3455 B12R1.16 CNCC(=O)c1ccc(cc1)I 7a_106832991635_100011216261 [0,2,0,0,0,0|0,0,0]=2 3456 B12R1.16 CNCC(=O)c1ccc(cc1)O 34a_100102657272_100009814261 [0,2,0,0,0,0|0,0,0]=2 3457 B12R1.16 CNCC(=O)c1ccc(cc1)O 7a_106832991635_100000018856 [0,2,0,0,0,0|0,0,0]=2 3458 B12R1.16 CNCC(=O)c1ccc(cn1)Cl 7a_106832991635_100016989621 [0,2,0,0,0,0|1,0,0]=3 3459 B12R1.16 CNCC(C)c1ccc(cc1)O 34a_200015188644_200000210301 [0,2,0,0,0,0|1,0,1]=4 3460 B12R1.16 CNCC(O)c1ccc(cc1)Br 2230a_100020626992_200000210301 [0,2,0,0,0,0|0,0,2]=4 3461 B12R1.16 CNCC(O)c1ccc(cc1)Br 34a_100020626992_200000210301 [0,2,0,0,0,0|0,0,2]=4 3462 B12R1.16 CNCC(O)c1ccc(cc1)C 2230a_200020610344_200000210301 [0,2,0,0,0,0|0,0,2]=4 3463 B12R1.16 CNCC(O)c1ccc(cc1)C 34a_200020610344_200000210301 [0,2,0,0,0,0|0,0,2]=4 3464 B12R1.16 CNCC(O)c1ccc(cc1)Cl 2230a_100000736658_200000210301 [0,2,0,0,0,0|0,0,2]=4 3465 B12R1.16 CNCC(O)c1ccc(cc1)Cl 2230a_106832991635_200011996143 [0,2,0,0,0,0|0,0,2]=4 3466 B12R1.16 CNCC(O)c1ccc(cc1)Cl 34a_100000736658_200000210301 [0,2,0,0,0,0|0,0,2]=4 3467 B12R1.16 CNCC(O)c1ccc(cc1)Cl 34a_100102657272_200011996143 [0,2,0,0,0,0|0,0,2]=4 3468 B12R1.16 CNCC(O)c1ccc(cc1)Cl 7a_106832991635_200011996143 [0,2,0,0,0,0|0,0,2]=4 3469 B12R1.16 CNCC(O)c1ccc(cc1)O 34a_100000067596_200000210301 [0,2,0,0,0,0|0,0,2]=4 3470 B12R1.16 CNC[C@H](O)c1ccc(cc1)F 2230a_106832991635_100000720402 [0,2,0,0,0,0|0,0,2]=4 3471 B12R1.16 CNC[C@H](O)c1ccc(cc1)F 34a_100102657272_100000720402 [0,2,0,0,0,0|0,0,2]=4 3472 B12R1.16 CNC[C@H](O)c1ccc(cc1)F 7a_106832991635_100000720402 [0,2,0,0,0,0|0,0,2]=4 3473 B12R1.16 CNNC(=O)c1ccc(cc1)Br 22a_100016993582_100000185839 [0,2,0,0,0,0|0,0,0]=2 3474 B12R1.16 CNNC(=O)c1ccc(cc1)C 22a_100016993582_100000188618 [0,2,0,0,0,0|0,0,0]=2 3475 B12R1.16 CNNC(=O)c1ccc(cc1)Cl 22a_100016993582_100000210187 [0,2,0,0,0,0|0,0,0]=2 3476 B12R1.16 CNNC(=O)c1ccc(cc1)F 22a_100016993582_100000187176 [0,2,0,0,0,0|0,0,0]=2 3477 B12R1.16 CNNC(=O)c1ccc(cc1)I 22a_100016993582_100000187904 [0,2,0,0,0,0|0,0,0]=2 3478 B12R1.16 CNNC(=O)c1ccc(cc1)O 22a_100016993582_100000212099 [0,2,0,0,0,0|0,0,0]=2 3479 B12R1.16 COCC(=O)c1ccc(cc1)Br 34a_100138415774_100000188085 [0,2,0,0,0,0|1,0,0]=3 3480 B12R1.16 COCC(=O)c1ccc(cc1)C 34a_100138415774_100000211441 [0,2,0,0,0,0|1,0,0]=3 3481 B12R1.16 COCC(=O)c1ccc(cc1)F 34a_100000246311_200000210301 [0,2,0,0,0,0|1,0,0]=3 3482 B12R1.16 COCC(=O)c1ccc(cc1)I 34a_100138415774_100011216261 [0,2,0,0,0,0|1,0,0]=3 3483 B12R1.16 COCC(=O)c1ccc(cc1)O 271570a_203496583355_200011343064 [0,2,0,0,0,0|1,0,0]=3 3484 B12R1.16 COCC(=O)c1ccc(cc1)O 34a_100138415774_100009814261 [0,2,0,0,0,0|1,0,0]=3 3485 B12R1.16 CSCC(=O)c1ccc(cc1)Br 62a_100000188085_200000210301 [0,2,0,0,0,0|1,0,0]=3 3486 B12R1.16 CSCC(=O)c1ccc(cc1)C 62a_100000211441_200000210301 [0,2,0,0,0,0|1,0,0]=3 3487 B12R1.16 CSCC(=O)c1ccc(cc1)C 62a_200000210301_100000211441 [0,2,0,0,0,0|1,0,0]=3 3488 B12R1.16 CSCC(=O)c1ccc(cc1)Cl 62a_100000211071_200000210301 [0,2,0,0,0,0|1,0,0]=3 3489 B12R1.16 CSCC(=O)c1ccc(cc1)Cl 62a_200000210301_100000211071 [0,2,0,0,0,0|1,0,0]=3 3490 B12R1.16 CSCC(=O)c1ccc(cc1)F 62a_100000211279_200000210301 [0,2,0,0,0,0|1,0,0]=3 3491 B12R1.16 CSCC(=O)c1ccc(cc1)F 62a_200000210301_100000211279 [0,2,0,0,0,0|1,0,0]=3 3492 B12R1.16 CSCC(=O)c1ccc(cc1)I 62a_100011216261_200000210301 [0,2,0,0,0,0|1,0,0]=3 3493 B12R1.16 CSCC(=O)c1ccc(cc1)I 62a_200000210301_100011216261 [0,2,0,0,0,0|1,0,0]=3 3494 B12R1.16 CSCC(=O)c1ccc(cc1)O 62a_100009814261_200000210301 [0,2,0,0,0,0|1,0,0]=3 3495 B12R1.16 CSCC(=O)c1ccc(cc1)O 62a_200000210301_100009814261 [0,2,0,0,0,0|1,0,0]=3 3496 B12R1.16 CSCC(=O)c1ccc(cn1)Cl 62a_100016989621_200000210301 [0,2,0,0,0,0|2,0,0]=4 3497 B12R1.16 CSCC(=O)c1ccc(cn1)Cl 62a_200000210301_100016989621 [0,2,0,0,0,0|2,0,0]=4 3498 B12R1.16 CSCC(=O)c1ccc(nc1)C 62a_100012027583_200000210301 [0,2,0,0,0,0|2,0,0]=4 3499 B12R1.16 CSCC(=O)c1ccc(nc1)C 62a_200000210301_100012027583 [0,2,0,0,0,0|2,0,0]=4 3500 B12R1.16 CSCC(=O)c1ccc(nc1)Cl 62a_100009864725_200000210301 [0,2,0,0,0,0|2,0,0]=4 3501 B12R1.16 CSCC(=O)c1ccc(nc1)Cl 62a_200000210301_100009864725 [0,2,0,0,0,0|2,0,0]=4 3502 B12R1.16 C[C@@H](NCF)c1ccc(cc1)Cl 34a_100015205461_100015361967 [0,2,0,0,0,0|1,0,1]=4 3503 B12R1.16 C[C@H](NCF)c1ccc(cc1)F 34a_100025705893_100015361967 [0,2,0,0,0,0|1,0,1]=4 3504 B12R1.16 Cc1ccc(cc1)C(=O)CC#N 1458a_100000188618_100011214920 [0,2,0,0,0,0|1,0,1]=4 3505 B12R1.16 Cc1ccc(cc1)C(=O)CCF 1458a_100000188618_100011217306 [0,2,0,0,0,0|1,0,0]=3 3506 B12R1.16 Cc1ccc(cc1)C(=O)CCO 1458a_100000188618_100000211926 [0,2,0,0,0,0|1,0,0]=3 3507 B12R1.16 Cc1ccc(cc1)C(=O)CS[13CH3] 62a_100000211441_200025704644 [0,2,0,0,0,0|1,0,0]=3 3508 B12R1.16 Cc1ccc(cc1)C(=O)CS[13CH3] 62a_200025704644_100000211441 [0,2,0,0,0,0|1,0,0]=3 3509 B12R1.16 Cc1ccc(cc1)C(O)CN[13CH3] 2230a_200020610344_200025704644 [0,2,0,0,0,0|0,0,2]=4 3510 B12R1.16 Cc1ccc(cc1)C(O)CN[13CH3] 34a_200020610344_200025704644 [0,2,0,0,0,0|0,0,2]=4 3511 B12R1.16 Cc1ccc(cc1)[C@@H](C)NCF 34a_100016988085_100015361967 [0,2,0,0,0,0|1,0,1]=4 3512 B12R1.16 Cc1ccc(cn1)C(=O)CS[13CH3] 62a_100012027583_200025704644 [0,2,0,0,0,0|2,0,0]=4 3513 B12R1.16 Cc1ccc(cn1)C(=O)CS[13CH3] 62a_200025704644_100012027583 [0,2,0,0,0,0|2,0,0]=4 3514 B12R1.16 N#CCC(=O)c1ccc(cc1)Br 1458a_100000185839_100011214920 [0,2,0,0,0,0|1,0,1]=4 3515 B12R1.16 N#CCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100011214920 [0,2,0,0,0,0|1,0,1]=4 3516 B12R1.16 N#CCC(=O)c1ccc(cc1)F 1458a_100000187176_100011214920 [0,2,0,0,0,0|1,0,1]=4 3517 B12R1.16 N#CCC(=O)c1ccc(cc1)I 1458a_100000187904_100011214920 [0,2,0,0,0,0|1,0,1]=4 3518 B12R1.16 N#CCC(=O)c1ccc(cc1)O 1458a_100000212099_100011214920 [0,2,0,0,0,0|1,0,1]=4 3519 B12R1.16 N#CCC(=O)c1ccc(cc1)O 271570a_203496583355_100000740217 [0,2,0,0,0,0|1,0,1]=4 3520 B12R1.16 O=C(CCF)c1ccc(cc1)Br 1458a_100000185839_100011217306 [0,2,0,0,0,0|1,0,0]=3 3521 B12R1.16 O=C(CCF)c1ccc(cc1)Cl 1458a_100000210187_100011217306 [0,2,0,0,0,0|1,0,0]=3 3522 B12R1.16 O=C(CCF)c1ccc(cc1)F 1458a_100000187176_100011217306 [0,2,0,0,0,0|1,0,0]=3 3523 B12R1.16 O=C(CCF)c1ccc(cc1)I 1458a_100000187904_100011217306 [0,2,0,0,0,0|1,0,0]=3 3524 B12R1.16 O=C(CCF)c1ccc(cc1)O 1458a_100000212099_100011217306 [0,2,0,0,0,0|1,0,0]=3 3525 B12R1.16 O=C(CCO)c1ccc(cc1)Br 1458a_100000185839_100000211926 [0,2,0,0,0,0|1,0,0]=3 3526 B12R1.16 O=C(CCO)c1ccc(cc1)Cl 1458a_100000210187_100000211926 [0,2,0,0,0,0|1,0,0]=3 3527 B12R1.16 O=C(CCO)c1ccc(cc1)F 1458a_100000187176_100000211926 [0,2,0,0,0,0|1,0,0]=3 3528 B12R1.16 O=C(CCO)c1ccc(cc1)I 1458a_100000187904_100000211926 [0,2,0,0,0,0|1,0,0]=3 3529 B12R1.16 O=C(CCO)c1ccc(cc1)O 1458a_100000212099_100000211926 [0,2,0,0,0,0|1,0,0]=3 3530 B12R1.16 [13CH3]NCC(O)c1ccc(cc1)Br 2230a_100020626992_200025704644 [0,2,0,0,0,0|0,0,2]=4 3531 B12R1.16 [13CH3]NCC(O)c1ccc(cc1)Br 34a_100020626992_200025704644 [0,2,0,0,0,0|0,0,2]=4 3532 B12R1.16 [13CH3]NCC(O)c1ccc(cc1)Cl 2230a_100000736658_200025704644 [0,2,0,0,0,0|0,0,2]=4 3533 B12R1.16 [13CH3]NCC(O)c1ccc(cc1)Cl 34a_100000736658_200025704644 [0,2,0,0,0,0|0,0,2]=4 3534 B12R1.16 [13CH3]NCC(O)c1ccc(cc1)O 34a_100000067596_200025704644 [0,2,0,0,0,0|0,0,2]=4 3535 B12R1.16 [13CH3]OCC(=O)c1ccc(cc1)F 34a_100000246311_200025704644 [0,2,0,0,0,0|1,0,0]=3 3536 B12R1.16 [13CH3]SCC(=O)c1ccc(cc1)Br 62a_100000188085_200025704644 [0,2,0,0,0,0|1,0,0]=3 3537 B12R1.16 [13CH3]SCC(=O)c1ccc(cc1)Cl 62a_100000211071_200025704644 [0,2,0,0,0,0|1,0,0]=3 3538 B12R1.16 [13CH3]SCC(=O)c1ccc(cc1)Cl 62a_200025704644_100000211071 [0,2,0,0,0,0|1,0,0]=3 3539 B12R1.16 [13CH3]SCC(=O)c1ccc(cc1)F 62a_100000211279_200025704644 [0,2,0,0,0,0|1,0,0]=3 3540 B12R1.16 [13CH3]SCC(=O)c1ccc(cc1)F 62a_200025704644_100000211279 [0,2,0,0,0,0|1,0,0]=3 3541 B12R1.16 [13CH3]SCC(=O)c1ccc(cc1)I 62a_100011216261_200025704644 [0,2,0,0,0,0|1,0,0]=3 3542 B12R1.16 [13CH3]SCC(=O)c1ccc(cc1)I 62a_200025704644_100011216261 [0,2,0,0,0,0|1,0,0]=3 3543 B12R1.16 [13CH3]SCC(=O)c1ccc(cc1)O 62a_100009814261_200025704644 [0,2,0,0,0,0|1,0,0]=3 3544 B12R1.16 [13CH3]SCC(=O)c1ccc(cc1)O 62a_200025704644_100009814261 [0,2,0,0,0,0|1,0,0]=3 3545 B12R1.16 [13CH3]SCC(=O)c1ccc(cn1)Cl 62a_100016989621_200025704644 [0,2,0,0,0,0|2,0,0]=4 3546 B12R1.16 [13CH3]SCC(=O)c1ccc(cn1)Cl 62a_200025704644_100016989621 [0,2,0,0,0,0|2,0,0]=4 3547 B12R1.16 [13CH3]SCC(=O)c1ccc(nc1)Cl 62a_100009864725_200025704644 [0,2,0,0,0,0|2,0,0]=4 3548 B12R1.16 [13CH3]SCC(=O)c1ccc(nc1)Cl 62a_200025704644_100009864725 [0,2,0,0,0,0|2,0,0]=4 3549 B12R1.17 C#CCC(=O)c1cccc(c1)Br 1458a_100000210664_100000184674 [0,2,0,0,0,0|1,0,1]=4 3550 B12R1.17 C#CCC(=O)c1cccc(c1)C 1458a_100000189346_100000184674 [0,2,0,0,0,0|1,0,1]=4 3551 B12R1.17 C#CCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000184674 [0,2,0,0,0,0|1,0,1]=4 3552 B12R1.17 C#CCC(=O)c1cccc(c1)F 1458a_100000210950_100000184674 [0,2,0,0,0,0|1,0,1]=4 3553 B12R1.17 C#CCC(=O)c1cccc(c1)I 1458a_100000184098_100000184674 [0,2,0,0,0,0|1,0,1]=4 3554 B12R1.17 C#CCC(=O)c1cccc(c1)O 1458a_100000183914_100000184674 [0,2,0,0,0,0|1,0,1]=4 3555 B12R1.17 C=CCC(=O)c1cccc(c1)Br 1458a_100000210664_100000210623 [0,2,0,0,0,0|1,0,1]=4 3556 B12R1.17 C=CCC(=O)c1cccc(c1)C 1458a_100000189346_100000210623 [0,2,0,0,0,0|1,0,1]=4 3557 B12R1.17 C=CCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000210623 [0,2,0,0,0,0|1,0,1]=4 3558 B12R1.17 C=CCC(=O)c1cccc(c1)F 1458a_100000210950_100000210623 [0,2,0,0,0,0|1,0,1]=4 3559 B12R1.17 C=CCC(=O)c1cccc(c1)I 1458a_100000184098_100000210623 [0,2,0,0,0,0|1,0,1]=4 3560 B12R1.17 C=CCC(=O)c1cccc(c1)O 1458a_100000183914_100000210623 [0,2,0,0,0,0|1,0,1]=4 3561 B12R1.17 CC(NCF)c1cccc(c1)Cl 34a_100102723534_100015361967 [0,2,0,0,0,0|1,0,1]=4 3562 B12R1.17 CCCC(=O)c1cccc(c1)Br 1458a_100000210664_100000210303 [0,2,0,0,0,0|1,0,0]=3 3563 B12R1.17 CCCC(=O)c1cccc(c1)C 1458a_100000189346_100000210303 [0,2,0,0,0,0|1,0,0]=3 3564 B12R1.17 CCCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000210303 [0,2,0,0,0,0|1,0,0]=3 3565 B12R1.17 CCCC(=O)c1cccc(c1)F 1458a_100000210950_100000210303 [0,2,0,0,0,0|1,0,0]=3 3566 B12R1.17 CCCC(=O)c1cccc(c1)I 1458a_100000184098_100000210303 [0,2,0,0,0,0|1,0,0]=3 3567 B12R1.17 CCCC(=O)c1cccc(c1)O 1458a_100000183914_100000210303 [0,2,0,0,0,0|1,0,0]=3 3568 B12R1.17 CCNC(=O)c1cc(ccn1)O 271570a_203496583355_100000194128 [0,2,0,0,0,0|1,0,0]=3 3569 B12R1.17 CCNC(=O)c1cccc(c1)Br 11a_100015525214_100000210664 [0,2,0,0,0,0|0,0,0]=2 3570 B12R1.17 CCNC(=O)c1cccc(c1)Br 240690a_100015525214_100000210664 [0,2,0,0,0,0|0,0,0]=2 3571 B12R1.17 CCNC(=O)c1cccc(c1)Br 527a_100015525214_100000210664 [0,2,0,0,0,0|0,0,0]=2 3572 B12R1.17 CCNC(=O)c1cccc(c1)C 11a_100015525214_100000189346 [0,2,0,0,0,0|0,0,0]=2 3573 B12R1.17 CCNC(=O)c1cccc(c1)C 240690a_100015525214_100000189346 [0,2,0,0,0,0|0,0,0]=2 3574 B12R1.17 CCNC(=O)c1cccc(c1)C 527a_100015525214_100000189346 [0,2,0,0,0,0|0,0,0]=2 3575 B12R1.17 CCNC(=O)c1cccc(c1)Cl 11a_100015525214_100000210390 [0,2,0,0,0,0|0,0,0]=2 3576 B12R1.17 CCNC(=O)c1cccc(c1)Cl 240690a_100015525214_100000210390 [0,2,0,0,0,0|0,0,0]=2 3577 B12R1.17 CCNC(=O)c1cccc(c1)Cl 527a_100015525214_100000210390 [0,2,0,0,0,0|0,0,0]=2 3578 B12R1.17 CCNC(=O)c1cccc(c1)F 11a_100015525214_100000210950 [0,2,0,0,0,0|0,0,0]=2 3579 B12R1.17 CCNC(=O)c1cccc(c1)F 240690a_100015525214_100000210950 [0,2,0,0,0,0|0,0,0]=2 3580 B12R1.17 CCNC(=O)c1cccc(c1)F 527a_100015525214_100000210950 [0,2,0,0,0,0|0,0,0]=2 3581 B12R1.17 CCNC(=O)c1cccc(c1)I 11a_100015525214_100000184098 [0,2,0,0,0,0|0,0,0]=2 3582 B12R1.17 CCNC(=O)c1cccc(c1)I 240690a_100015525214_100000184098 [0,2,0,0,0,0|0,0,0]=2 3583 B12R1.17 CCNC(=O)c1cccc(c1)I 527a_100015525214_100000184098 [0,2,0,0,0,0|0,0,0]=2 3584 B12R1.17 CCNC(=O)c1cccc(c1)O 240690a_100015525214_100000183914 [0,2,0,0,0,0|0,0,0]=2 3585 B12R1.17 CCNC(=O)c1cccc(c1)O 271570a_203496583355_100000155180 [0,2,0,0,0,0|0,0,0]=2 3586 B12R1.17 CCNC(=O)c1cccc(c1)O 527a_100015525214_100000183914 [0,2,0,0,0,0|0,0,0]=2 3587 B12R1.17 CCNC(=O)c1ccnc(c1)O 271570a_203496583355_100000229823 [0,2,0,0,0,0|1,0,0]=3 3588 B12R1.17 CCNC(=O)c1cncc(c1)O 271570a_203496583355_200000155184 [0,2,0,0,0,0|1,0,0]=3 3589 B12R1.17 CCNC(C)c1cccc(c1)Br 2230a_100020642005_100000210202 [0,2,0,0,0,0|1,0,1]=4 3590 B12R1.17 CCNC(C)c1cccc(c1)Br 269862a_100015525214_100000210093 [0,2,0,0,0,0|1,0,1]=4 3591 B12R1.17 CCNC(C)c1cccc(c1)C 269862a_100015525214_100000211476 [0,2,0,0,0,0|1,0,1]=4 3592 B12R1.17 CCNC(C)c1cccc(c1)Cl 2230a_100102723534_100000210202 [0,2,0,0,0,0|1,0,1]=4 3593 B12R1.17 CCNC(C)c1cccc(c1)Cl 269862a_100015525214_200000210964 [0,2,0,0,0,0|1,0,1]=4 3594 B12R1.17 CCNC(C)c1cccc(c1)Cl 34a_100102723534_100000210202 [0,2,0,0,0,0|1,0,1]=4 3595 B12R1.17 CCNC(C)c1cccc(c1)F 269862a_100015525214_100000187083 [0,2,0,0,0,0|1,0,1]=4 3596 B12R1.17 CCNC(C)c1cccc(c1)I 269862a_100015525214_100011356966 [0,2,0,0,0,0|1,0,1]=4 3597 B12R1.17 CCNC(C)c1cccc(c1)O 2230a_100000740644_100000210202 [0,2,0,0,0,0|1,0,1]=4 3598 B12R1.17 CCNC(C)c1cccc(c1)O 269862a_100015525214_100000211620 [0,2,0,0,0,0|1,0,1]=4 3599 B12R1.17 CCN[C@H](C)c1cccc(c1)C 2230a_100000698126_100000210202 [0,2,0,0,0,0|1,0,1]=4 3600 B12R1.17 CCN[C@H](C)c1cccc(c1)C 34a_100000698126_100000210202 [0,2,0,0,0,0|1,0,1]=4 3601 B12R1.17 CCN[C@H](C)c1cccc(c1)F 2230a_100015193778_100000210202 [0,2,0,0,0,0|1,0,1]=4 3602 B12R1.17 CCN[C@H](C)c1cccc(c1)F 34a_100015193778_100000210202 [0,2,0,0,0,0|1,0,1]=4 3603 B12R1.17 CCOC(=O)c1cc(ccn1)O 271570a_203496583355_100010210110 [0,2,0,0,0,0|2,0,0]=4 3604 B12R1.17 CCOC(=O)c1cccc(c1)O 271570a_203496583355_100000170211 [0,2,0,0,0,0|1,0,0]=3 3605 B12R1.17 CCOC(=O)c1cccc(n1)O 271570a_203496583355_100000695914 [0,2,0,0,0,0|2,0,0]=4 3606 B12R1.17 CCOC(=O)c1ccnc(c1)O 271570a_203496583355_100011213083 [0,2,0,0,0,0|2,0,0]=4 3607 B12R1.17 CCOC(=O)c1cncc(c1)O 271570a_203496583355_100000170250 [0,2,0,0,0,0|2,0,0]=4 3608 B12R1.17 CNCC(=O)c1cccc(c1)Br 2230a_106832991635_100000212080 [0,2,0,0,0,0|0,0,0]=2 3609 B12R1.17 CNCC(=O)c1cccc(c1)Br 34a_100102657272_100000212080 [0,2,0,0,0,0|0,0,0]=2 3610 B12R1.17 CNCC(=O)c1cccc(c1)Br 7a_106832991635_100000212080 [0,2,0,0,0,0|0,0,0]=2 3611 B12R1.17 CNCC(=O)c1cccc(c1)C 2230a_106832991635_100000739480 [0,2,0,0,0,0|0,0,0]=2 3612 B12R1.17 CNCC(=O)c1cccc(c1)C 34a_100102657272_100000739480 [0,2,0,0,0,0|0,0,0]=2 3613 B12R1.17 CNCC(=O)c1cccc(c1)C 7a_106832991635_100000739480 [0,2,0,0,0,0|0,0,0]=2 3614 B12R1.17 CNCC(=O)c1cccc(c1)Cl 2230a_106832991635_100000211444 [0,2,0,0,0,0|0,0,0]=2 3615 B12R1.17 CNCC(=O)c1cccc(c1)Cl 34a_100102657272_100000211444 [0,2,0,0,0,0|0,0,0]=2 3616 B12R1.17 CNCC(=O)c1cccc(c1)Cl 7a_106832991635_100000211444 [0,2,0,0,0,0|0,0,0]=2 3617 B12R1.17 CNCC(=O)c1cccc(c1)F 2230a_106832991635_100000215616 [0,2,0,0,0,0|0,0,0]=2 3618 B12R1.17 CNCC(=O)c1cccc(c1)F 34a_100102657272_100000215616 [0,2,0,0,0,0|0,0,0]=2 3619 B12R1.17 CNCC(=O)c1cccc(c1)O 34a_100102657272_100009813753 [0,2,0,0,0,0|0,0,0]=2 3620 B12R1.17 CNCC(=O)c1cccc(c1)O 7a_106832991635_100009813753 [0,2,0,0,0,0|0,0,0]=2 3621 B12R1.17 CNCC(O)c1cccc(c1)O 2230a_100020657549_200000210301 [0,2,0,0,0,0|0,0,2]=4 3622 B12R1.17 CNCC(O)c1cccc(c1)O 271570a_203496583355_200000733937 [0,2,0,0,0,0|0,0,2]=4 3623 B12R1.17 CNCC(O)c1cccc(c1)O 34a_100020657549_200000210301 [0,2,0,0,0,0|0,0,2]=4 3624 B12R1.17 CNNC(=O)c1cccc(c1)Br 22a_100016993582_100000210664 [0,2,0,0,0,0|0,0,0]=2 3625 B12R1.17 CNNC(=O)c1cccc(c1)C 22a_100016993582_100000189346 [0,2,0,0,0,0|0,0,0]=2 3626 B12R1.17 CNNC(=O)c1cccc(c1)Cl 22a_100016993582_100000210390 [0,2,0,0,0,0|0,0,0]=2 3627 B12R1.17 CNNC(=O)c1cccc(c1)F 22a_100016993582_100000210950 [0,2,0,0,0,0|0,0,0]=2 3628 B12R1.17 CNNC(=O)c1cccc(c1)I 22a_100016993582_100000184098 [0,2,0,0,0,0|0,0,0]=2 3629 B12R1.17 CNNC(=O)c1cccc(c1)O 22a_100016993582_100000183914 [0,2,0,0,0,0|0,0,0]=2 3630 B12R1.17 COCC(=O)c1cccc(c1)Br 34a_100138415774_100000212080 [0,2,0,0,0,0|1,0,0]=3 3631 B12R1.17 COCC(=O)c1cccc(c1)C 34a_100138415774_100000739480 [0,2,0,0,0,0|1,0,0]=3 3632 B12R1.17 COCC(=O)c1cccc(c1)Cl 34a_100138415774_100000211444 [0,2,0,0,0,0|1,0,0]=3 3633 B12R1.17 COCC(=O)c1cccc(c1)Cl 7a_200011592804_200000210301 [0,2,0,0,0,0|1,0,0]=3 3634 B12R1.17 COCC(=O)c1cccc(c1)F 34a_100011592800_200000210301 [0,2,0,0,0,0|1,0,0]=3 3635 B12R1.17 COCC(=O)c1cccc(c1)F 34a_100138415774_100000215616 [0,2,0,0,0,0|1,0,0]=3 3636 B12R1.17 COCC(=O)c1cccc(c1)F 7a_100011592800_200000210301 [0,2,0,0,0,0|1,0,0]=3 3637 B12R1.17 COCC(=O)c1cccc(c1)O 34a_100138415774_100009813753 [0,2,0,0,0,0|1,0,0]=3 3638 B12R1.17 CSCC(=O)c1cccc(c1)Br 62a_100000212080_200000210301 [0,2,0,0,0,0|1,0,0]=3 3639 B12R1.17 CSCC(=O)c1cccc(c1)Br 62a_200000210301_100000212080 [0,2,0,0,0,0|1,0,0]=3 3640 B12R1.17 CSCC(=O)c1cccc(c1)C 62a_100000739480_200000210301 [0,2,0,0,0,0|1,0,0]=3 3641 B12R1.17 CSCC(=O)c1cccc(c1)C 62a_200000210301_100000739480 [0,2,0,0,0,0|1,0,0]=3 3642 B12R1.17 CSCC(=O)c1cccc(c1)Cl 62a_100000211444_200000210301 [0,2,0,0,0,0|1,0,0]=3 3643 B12R1.17 CSCC(=O)c1cccc(c1)Cl 62a_200000210301_100000211444 [0,2,0,0,0,0|1,0,0]=3 3644 B12R1.17 CSCC(=O)c1cccc(c1)F 62a_100000215616_200000210301 [0,2,0,0,0,0|1,0,0]=3 3645 B12R1.17 CSCC(=O)c1cccc(c1)F 62a_200000210301_100000215616 [0,2,0,0,0,0|1,0,0]=3 3646 B12R1.17 CSCC(=O)c1cccc(c1)O 62a_100009813753_200000210301 [0,2,0,0,0,0|1,0,0]=3 3647 B12R1.17 CSCC(=O)c1cccc(c1)O 62a_200000210301_100009813753 [0,2,0,0,0,0|1,0,0]=3 3648 B12R1.17 CSCC(=O)c1ccnc(c1)Cl 62a_100009817076_200000210301 [0,2,0,0,0,0|2,0,0]=4 3649 B12R1.17 CSCC(=O)c1ccnc(c1)Cl 62a_200000210301_100009817076 [0,2,0,0,0,0|2,0,0]=4 3650 B12R1.17 C[C@@H](NCF)c1cccc(c1)F 34a_100015193778_100015361967 [0,2,0,0,0,0|1,0,1]=4 3651 B12R1.17 Cc1cccc(c1)C(=O)CC#N 1458a_100000189346_100011214920 [0,2,0,0,0,0|1,0,1]=4 3652 B12R1.17 Cc1cccc(c1)C(=O)CCF 1458a_100000189346_100011217306 [0,2,0,0,0,0|1,0,0]=3 3653 B12R1.17 Cc1cccc(c1)C(=O)CCO 1458a_100000189346_100000211926 [0,2,0,0,0,0|1,0,0]=3 3654 B12R1.17 Cc1cccc(c1)C(=O)CS[13CH3] 62a_100000739480_200025704644 [0,2,0,0,0,0|1,0,0]=3 3655 B12R1.17 Cc1cccc(c1)C(=O)CS[13CH3] 62a_200025704644_100000739480 [0,2,0,0,0,0|1,0,0]=3 3656 B12R1.17 Cc1cccc(c1)[C@@H](C)NCF 34a_100000698126_100015361967 [0,2,0,0,0,0|1,0,1]=4 3657 B12R1.17 N#CCC(=O)c1cccc(c1)Br 1458a_100000210664_100011214920 [0,2,0,0,0,0|1,0,1]=4 3658 B12R1.17 N#CCC(=O)c1cccc(c1)Cl 1458a_100000210390_100011214920 [0,2,0,0,0,0|1,0,1]=4 3659 B12R1.17 N#CCC(=O)c1cccc(c1)F 1458a_100000210950_100011214920 [0,2,0,0,0,0|1,0,1]=4 3660 B12R1.17 N#CCC(=O)c1cccc(c1)I 1458a_100000184098_100011214920 [0,2,0,0,0,0|1,0,1]=4 3661 B12R1.17 N#CCC(=O)c1cccc(c1)O 1458a_100000183914_100011214920 [0,2,0,0,0,0|1,0,1]=4 3662 B12R1.17 N#CCC(=O)c1cccc(c1)O 271570a_203496583355_100000740218 [0,2,0,0,0,0|1,0,1]=4 3663 B12R1.17 O=C(CCF)c1cccc(c1)Br 1458a_100000210664_100011217306 [0,2,0,0,0,0|1,0,0]=3 3664 B12R1.17 O=C(CCF)c1cccc(c1)Cl 1458a_100000210390_100011217306 [0,2,0,0,0,0|1,0,0]=3 3665 B12R1.17 O=C(CCF)c1cccc(c1)F 1458a_100000210950_100011217306 [0,2,0,0,0,0|1,0,0]=3 3666 B12R1.17 O=C(CCF)c1cccc(c1)I 1458a_100000184098_100011217306 [0,2,0,0,0,0|1,0,0]=3 3667 B12R1.17 O=C(CCF)c1cccc(c1)O 1458a_100000183914_100011217306 [0,2,0,0,0,0|1,0,0]=3 3668 B12R1.17 O=C(CCO)c1cccc(c1)Br 1458a_100000210664_100000211926 [0,2,0,0,0,0|1,0,0]=3 3669 B12R1.17 O=C(CCO)c1cccc(c1)Cl 1458a_100000210390_100000211926 [0,2,0,0,0,0|1,0,0]=3 3670 B12R1.17 O=C(CCO)c1cccc(c1)F 1458a_100000210950_100000211926 [0,2,0,0,0,0|1,0,0]=3 3671 B12R1.17 O=C(CCO)c1cccc(c1)I 1458a_100000184098_100000211926 [0,2,0,0,0,0|1,0,0]=3 3672 B12R1.17 O=C(CCO)c1cccc(c1)O 1458a_100000183914_100000211926 [0,2,0,0,0,0|1,0,0]=3 3673 B12R1.17 [13CH3]NCC(O)c1cccc(c1)O 2230a_100020657549_200025704644 [0,2,0,0,0,0|0,0,2]=4 3674 B12R1.17 [13CH3]NCC(O)c1cccc(c1)O 34a_100020657549_200025704644 [0,2,0,0,0,0|0,0,2]=4 3675 B12R1.17 [13CH3]OCC(=O)c1cccc(c1)Cl 7a_200011592804_200025704644 [0,2,0,0,0,0|1,0,0]=3 3676 B12R1.17 [13CH3]OCC(=O)c1cccc(c1)F 34a_100011592800_200025704644 [0,2,0,0,0,0|1,0,0]=3 3677 B12R1.17 [13CH3]OCC(=O)c1cccc(c1)F 7a_100011592800_200025704644 [0,2,0,0,0,0|1,0,0]=3 3678 B12R1.17 [13CH3]SCC(=O)c1cccc(c1)Br 62a_100000212080_200025704644 [0,2,0,0,0,0|1,0,0]=3 3679 B12R1.17 [13CH3]SCC(=O)c1cccc(c1)Br 62a_200025704644_100000212080 [0,2,0,0,0,0|1,0,0]=3 3680 B12R1.17 [13CH3]SCC(=O)c1cccc(c1)Cl 62a_100000211444_200025704644 [0,2,0,0,0,0|1,0,0]=3 3681 B12R1.17 [13CH3]SCC(=O)c1cccc(c1)Cl 62a_200025704644_100000211444 [0,2,0,0,0,0|1,0,0]=3 3682 B12R1.17 [13CH3]SCC(=O)c1cccc(c1)F 62a_100000215616_200025704644 [0,2,0,0,0,0|1,0,0]=3 3683 B12R1.17 [13CH3]SCC(=O)c1cccc(c1)F 62a_200025704644_100000215616 [0,2,0,0,0,0|1,0,0]=3 3684 B12R1.17 [13CH3]SCC(=O)c1cccc(c1)O 62a_100009813753_200025704644 [0,2,0,0,0,0|1,0,0]=3 3685 B12R1.17 [13CH3]SCC(=O)c1cccc(c1)O 62a_200025704644_100009813753 [0,2,0,0,0,0|1,0,0]=3 3686 B12R1.17 [13CH3]SCC(=O)c1ccnc(c1)Cl 62a_100009817076_200025704644 [0,2,0,0,0,0|2,0,0]=4 3687 B12R1.17 [13CH3]SCC(=O)c1ccnc(c1)Cl 62a_200025704644_100009817076 [0,2,0,0,0,0|2,0,0]=4 3688 B12R1.30 C#CCCC(=O)c1ccccc1 1458a_100000185807_100000753159 [0,2,0,0,0,0|1,0,0]=3 3689 B12R1.30 C#CCNC(=O)c1ccccc1 11a_100000212058_100000185807 [0,2,0,0,0,0|0,0,0]=2 3690 B12R1.30 C#CCNC(=O)c1ccccc1 1626a_100000212058_100000185807 [0,2,0,0,0,0|0,0,0]=2 3691 B12R1.30 C#CCNC(=O)c1ccccc1 240690a_100000212058_100000185807 [0,2,0,0,0,0|0,0,0]=2 3692 B12R1.30 C#CCNC(=O)c1ccccc1 527a_100000212058_100000185807 [0,2,0,0,0,0|0,0,0]=2 3693 B12R1.30 C#CCNC(C)c1ccccc1 34a_100000212058_100000211855 [0,2,0,0,0,0|1,0,1]=4 3694 B12R1.30 C#CCN[C@H](C)c1ccccc1 2230a_100000751104_100000038162 [0,2,0,0,0,0|1,0,1]=4 3695 B12R1.30 C/C=C/CC(=O)c1ccccc1 1458a_100000185807_100102629194 [0,2,0,0,0,0|1,0,0]=3 3696 B12R1.30 C=CCCC(=O)c1ccccc1 1458a_100000185807_100000754431 [0,2,0,0,0,0|1,0,0]=3 3697 B12R1.30 C=CCNC(=O)c1ccccc1 1626a_100020586998_100000185807 [0,2,0,0,0,0|0,0,0]=2 3698 B12R1.30 C=CCNC(=O)c1ccccc1 240690a_100020586998_100000185807 [0,2,0,0,0,0|0,0,0]=2 3699 B12R1.30 C=CCNC(=O)c1ccccc1 527a_100020586998_100000185807 [0,2,0,0,0,0|0,0,0]=2 3700 B12R1.30 C=CCNC(C)c1ccccc1 2230a_100020586998_100000230085 [0,2,0,0,0,0|1,0,1]=4 3701 B12R1.30 C=CCN[C@H](C)c1ccccc1 2230a_100000751104_100000210623 [0,2,0,0,0,0|1,0,1]=4 3702 B12R1.30 CC#CCC(=O)c1ccccc1 1458a_100000185807_100000748600 [0,2,0,0,0,0|1,0,0]=3 3703 B12R1.30 CC(CNCF)c1ccccc1 34a_100000701038_100015361967 [0,2,0,0,0,0|1,0,1]=4 3704 B12R1.30 CC(NCCF)c1ccccc1 269862a_100000724931_100000185851 [0,2,0,0,0,0|1,0,1]=4 3705 B12R1.30 CC(NCCF)c1ccccc1 34a_100000724931_100000211855 [0,2,0,0,0,0|1,0,1]=4 3706 B12R1.30 CC(NCCO)c1ccccc1 2230a_100016997473_100000230085 [0,2,0,0,0,0|1,0,1]=4 3707 B12R1.30 CC(NCCO)c1ccccc1 269862a_100000210304_100000185851 [0,2,0,0,0,0|1,0,1]=4 3708 B12R1.30 CC(NCCO)c1ccccc1 34a_100016990907_100000211855 [0,2,0,0,0,0|1,0,1]=4 3709 B12R1.30 CC=CCC(=O)c1ccccc1 1458a_100000185807_100000070051 [0,2,0,0,0,0|1,0,0]=3 3710 B12R1.30 CC=NNC(=O)c1ccccc1 4a_100000184135_200000210099 [0,2,0,0,0,0|0,0,0]=2 3711 B12R1.30 CC=NNC(=O)c1ccccn1 4a_100000184044_200000210099 [0,2,0,0,0,0|1,0,0]=3 3712 B12R1.30 CC=NNC(=O)c1cccnc1 4a_100000189771_200000210099 [0,2,0,0,0,0|1,0,0]=3 3713 B12R1.30 CC=NNC(=O)c1ccncc1 4a_100000189768_200000210099 [0,2,0,0,0,0|1,0,0]=3 3714 B12R1.30 CC=NNC(=O)c1ccncn1 4a_100000084330_200000210099 [0,2,0,0,0,0|2,0,0]=4 3715 B12R1.30 CC=NNC(=O)c1cnccn1 4a_100000189795_200000210099 [0,2,0,0,0,0|2,0,0]=4 3716 B12R1.30 CCCCC(=O)c1ccccc1 1458a_100000185807_100000210211 [0,2,0,0,0,0|1,0,0]=3 3717 B12R1.30 CCCNC(=O)c1ccccc1 11a_100020643023_100000185807 [0,2,0,0,0,0|0,0,0]=2 3718 B12R1.30 CCCNC(=O)c1ccccc1 1626a_100020643023_100000185807 [0,2,0,0,0,0|0,0,0]=2 3719 B12R1.30 CCCNC(=O)c1ccccc1 240690a_100020643023_100000185807 [0,2,0,0,0,0|0,0,0]=2 3720 B12R1.30 CCCNC(=O)c1ccccc1 527a_100020643023_100000185807 [0,2,0,0,0,0|0,0,0]=2 3721 B12R1.30 CCCNC(C)c1ccccc1 269862a_100020643023_100000185851 [0,2,0,0,0,0|1,0,1]=4 3722 B12R1.30 CCCN[C@H](C)c1ccccc1 2230a_100000751104_100000210303 [0,2,0,0,0,0|1,0,1]=4 3723 B12R1.30 CCNCC(C)c1ccccc1 2230a_100000701038_100000210202 [0,2,0,0,0,0|1,0,1]=4 3724 B12R1.30 CCNCC(C)c1ccccc1 2230a_100015525214_100000756946 [0,2,0,0,0,0|1,0,1]=4 3725 B12R1.30 CCNCC(C)c1ccccc1 270004a_100015525214_100000212034 [0,2,0,0,0,0|1,0,1]=4 3726 B12R1.30 CCNCC(C)c1ccccc1 34a_100000701038_100000210202 [0,2,0,0,0,0|1,0,1]=4 3727 B12R1.30 CCNCC(O)c1ccccc1 2230a_100000210709_100000210202 [0,2,0,0,0,0|0,0,2]=4 3728 B12R1.30 CCNCC(O)c1ccccc1 2230a_100015525214_100000185958 [0,2,0,0,0,0|0,0,2]=4 3729 B12R1.30 CCNC[C@@H](O)c1ccccc1 2230a_100015525214_100011933945 [0,2,0,0,0,0|0,0,2]=4 3730 B12R1.30 CCNN=C(C)c1ccccc1 4a_100000756455_100000185851 [0,2,0,0,0,0|1,0,0]=3 3731 B12R1.30 CCNN=C(C)c1ccccn1 4a_100000756455_100000210467 [0,2,0,0,0,0|2,0,0]=4 3732 B12R1.30 CCNN=C(C)c1cccnc1 4a_100000756455_100000210468 [0,2,0,0,0,0|2,0,0]=4 3733 B12R1.30 CCNN=C(C)c1ccncc1 4a_100000756455_100000185792 [0,2,0,0,0,0|2,0,0]=4 3734 B12R1.30 CCNNC(=O)c1ccccc1 22a_100000756455_100000185807 [0,2,0,0,0,0|0,0,0]=2 3735 B12R1.30 CCOCC(=O)c1ccccn1 34a_100121572206_100000027445 [0,2,0,0,0,0|2,0,0]=4 3736 B12R1.30 CCSCC(=O)c1ccccc1 62a_100000210202_100000211460 [0,2,0,0,0,0|1,0,0]=3 3737 B12R1.30 CCSCC(=O)c1ccccc1 62a_100000211460_100000210202 [0,2,0,0,0,0|1,0,0]=3 3738 B12R1.30 CCSCC(=O)c1ccccn1 62a_100000027445_100000210202 [0,2,0,0,0,0|2,0,0]=4 3739 B12R1.30 CCSCC(=O)c1ccccn1 62a_100000210202_100000027445 [0,2,0,0,0,0|2,0,0]=4 3740 B12R1.30 CCSCC(=O)c1cccnc1 62a_100000210202_100000757877 [0,2,0,0,0,0|2,0,0]=4 3741 B12R1.30 CCSCC(=O)c1cccnc1 62a_100000757877_100000210202 [0,2,0,0,0,0|2,0,0]=4 3742 B12R1.30 CCSCC(=O)c1ccncc1 62a_100000027454_100000210202 [0,2,0,0,0,0|2,0,0]=4 3743 B12R1.30 CCSCC(=O)c1ccncc1 62a_100000210202_100000027454 [0,2,0,0,0,0|2,0,0]=4 3744 B12R1.30 CCSCS(=O)c1ccccc1 62a_100000210202_100000031784 [0,2,0,0,0,0|2,0,0]=4 3745 B12R1.30 CNCCC(=O)c1ccccc1 2230a_106832991635_100000750707 [0,2,0,0,0,0|0,0,0]=2 3746 B12R1.30 CNCCC(=O)c1ccccc1 7a_106832991635_100000750707 [0,2,0,0,0,0|0,0,0]=2 3747 B12R1.30 CNCCC(C)c1ccccc1 270004a_106832991635_100000189432 [0,2,0,0,0,0|1,0,1]=4 3748 B12R1.30 CNCCC(O)c1ccccc1 2230a_100000763605_200000210301 [0,2,0,0,0,0|0,0,2]=4 3749 B12R1.30 CNCCS(=O)c1ccccc1 2230a_106832991635_100000740319 [0,2,0,0,0,0|1,0,0]=3 3750 B12R1.30 CNCCS(=O)c1ccccc1 7a_106832991635_100000740319 [0,2,0,0,0,0|1,0,0]=3 3751 B12R1.30 CNCC[C@@H](O)c1ccccc1 2230a_106832991635_100000729684 [0,2,0,0,0,0|0,0,2]=4 3752 B12R1.30 CNCC[C@@H](O)c1ccccc1 34a_100102657272_100000729684 [0,2,0,0,0,0|0,0,2]=4 3753 B12R1.30 CNCC[C@@H](O)c1ccccc1 7a_106832991635_100000729684 [0,2,0,0,0,0|0,0,2]=4 3754 B12R1.30 CNCOC(=O)c1ccccc1 7a_106832991635_100000073877 [0,2,0,0,0,0|0,0,0]=2 3755 B12R1.30 COCCC(=O)c1ccccc1 1458a_100000185807_100000233755 [0,2,0,0,0,0|1,0,0]=3 3756 B12R1.30 COCN[C@H](C)c1ccccc1 2230a_100000751104_100000766300 [0,2,0,0,0,0|1,0,1]=4 3757 B12R1.30 CSCCC(=O)c1ccccc1 1458a_100000185807_100000751147 [0,2,0,0,0,0|1,0,0]=3 3758 B12R1.30 CSCCC(=O)c1ccccc1 62a_100000750707_200000210301 [0,2,0,0,0,0|1,0,0]=3 3759 B12R1.30 CSCCC(=O)c1ccccc1 62a_200000210301_100000750707 [0,2,0,0,0,0|1,0,0]=3 3760 B12R1.30 CSCCS(=O)c1ccccc1 62a_200000210301_100000740319 [0,2,0,0,0,0|2,0,0]=4 3761 B12R1.30 CSCN[C@H](C)c1ccccc1 2230a_100000751104_100011218213 [0,2,0,0,0,0|1,0,1]=4 3762 B12R1.30 CSCOC(=O)c1ccccc1 62a_100000073877_200000210301 [0,2,0,0,0,0|1,0,0]=3 3763 B12R1.30 CSCOC(=O)c1ccccc1 62a_200000210301_100000073877 [0,2,0,0,0,0|1,0,0]=3 3764 B12R1.30 C[C@@H](NCC#N)c1ccccc1 2230a_100000751104_100011215382 [0,2,0,0,0,0|1,0,1]=4 3765 B12R1.30 C[C@@H](NCC=O)c1ccccc1 2230a_100000751104_200015260668 [0,2,0,0,0,0|1,0,1]=4 3766 B12R1.30 C[C@@H](NCCF)c1ccccc1 2230a_100000751104_100011217306 [0,2,0,0,0,0|1,0,1]=4 3767 B12R1.30 C[C@@H](NCCO)c1ccccc1 2230a_100000751104_100000211926 [0,2,0,0,0,0|1,0,1]=4 3768 B12R1.30 N#CCCC(=O)c1ccccc1 1458a_100000185807_100011215226 [0,2,0,0,0,0|1,0,0]=3 3769 B12R1.30 N#CCNC(=O)c1ccccc1 1626a_100000734998_100000185807 [0,2,0,0,0,0|0,0,0]=2 3770 B12R1.30 N#CCNC(=O)c1ccccc1 527a_100000734998_100000185807 [0,2,0,0,0,0|0,0,0]=2 3771 B12R1.30 O=C(CCCF)c1ccccc1 1458a_100000185807_100011934791 [0,2,0,0,0,0|1,0,0]=3 3772 B12R1.30 O=C(CCCO)c1ccccc1 1458a_100000185807_100011215043 [0,2,0,0,0,0|1,0,0]=3 3773 B12R1.30 O=C(CSCF)c1ccccc1 62a_100000211460_100015361967 [0,2,0,0,0,0|1,0,0]=3 3774 B12R1.30 O=C(CSCF)c1ccccc1 62a_100015361967_100000211460 [0,2,0,0,0,0|1,0,0]=3 3775 B12R1.30 O=C(CSCF)c1ccccn1 62a_100000027445_100015361967 [0,2,0,0,0,0|2,0,0]=4 3776 B12R1.30 O=C(CSCF)c1ccccn1 62a_100015361967_100000027445 [0,2,0,0,0,0|2,0,0]=4 3777 B12R1.30 O=C(CSCF)c1cccnc1 62a_100000757877_100015361967 [0,2,0,0,0,0|2,0,0]=4 3778 B12R1.30 O=C(CSCF)c1cccnc1 62a_100015361967_100000757877 [0,2,0,0,0,0|2,0,0]=4 3779 B12R1.30 O=C(CSCF)c1ccncc1 62a_100000027454_100015361967 [0,2,0,0,0,0|2,0,0]=4 3780 B12R1.30 O=C(CSCF)c1ccncc1 62a_100015361967_100000027454 [0,2,0,0,0,0|2,0,0]=4 3781 B12R1.30 O=C(NCCF)c1ccccc1 11a_100000724931_100000185807 [0,2,0,0,0,0|0,0,0]=2 3782 B12R1.30 O=C(NCCF)c1ccccc1 1626a_100000724931_100000185807 [0,2,0,0,0,0|0,0,0]=2 3783 B12R1.30 O=C(NCCF)c1ccccc1 240690a_100000724931_100000185807 [0,2,0,0,0,0|0,0,0]=2 3784 B12R1.30 O=C(NCCF)c1ccccc1 527a_100000724931_100000185807 [0,2,0,0,0,0|0,0,0]=2 3785 B12R1.30 O=C(NCCO)c1ccccc1 240690a_100000210304_100000185807 [0,2,0,0,0,0|0,0,0]=2 3786 B12R1.30 O=C(NCCO)c1ccccc1 527a_100000210304_100000185807 [0,2,0,0,0,0|0,0,0]=2 3787 B12R1.30 O=S(CSCF)c1ccccc1 62a_100015361967_100000031784 [0,2,0,0,0,0|2,0,0]=4 3788 B12R1.30 [13CH3]NCCC(O)c1ccccc1 2230a_100000763605_200025704644 [0,2,0,0,0,0|0,0,2]=4 3789 B12R1.30 [13CH3]SCCC(=O)c1ccccc1 62a_100000750707_200025704644 [0,2,0,0,0,0|1,0,0]=3 3790 B12R1.30 [13CH3]SCCC(=O)c1ccccc1 62a_200025704644_100000750707 [0,2,0,0,0,0|1,0,0]=3 3791 B12R1.30 [13CH3]SCCS(=O)c1ccccc1 62a_200025704644_100000740319 [0,2,0,0,0,0|2,0,0]=4 3792 B12R1.30 [13CH3]SCOC(=O)c1ccccc1 62a_100000073877_200025704644 [0,2,0,0,0,0|1,0,0]=3 3793 B12R1.30 [13CH3]SCOC(=O)c1ccccc1 62a_200025704644_100000073877 [0,2,0,0,0,0|1,0,0]=3 3794 B12R1.107 C=C(C)CC(=O)c1ccccc1 1458a_100000185807_100000748629 [0,2,0,0,0,0|1,0,0]=3 3795 B12R1.107 C=C(F)CC(=O)c1ccccc1 1458a_100000185807_100009893438 [0,2,0,0,0,0|1,0,1]=4 3796 B12R1.107 CC(=CC(=O)[13CH3])c1ccccc1 1458a_100000743005_200025704644 [0,2,0,0,0,0|2,0,0]=4 3797 B12R1.107 CC(=O)C=C(C)c1ccccc1 1458a_100000743005_200000210301 [0,2,0,0,0,0|2,0,0]=4 3798 B12R1.107 CC(=O)CC(=O)c1ccccc1 1458a_100000070787_100000211460 [0,2,0,0,0,0|1,0,0]=3 3799 B12R1.107 CC(=O)CC(=O)c1ccccn1 1458a_100000070787_100000027445 [0,2,0,0,0,0|2,0,0]=4 3800 B12R1.107 CC(=O)CC(=O)c1cccnc1 1458a_100000070787_100015188593 [0,2,0,0,0,0|2,0,0]=4 3801 B12R1.107 CC(=O)CC(=O)c1ccncc1 1458a_100000070787_100000027454 [0,2,0,0,0,0|2,0,0]=4 3802 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 11a_100000751104_100015343762 [0,2,0,0,0,0|1,0,1]=4 3803 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 1626a_100000751104_100015343762 [0,2,0,0,0,0|1,0,1]=4 3804 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 240690a_100000751104_100015343762 [0,2,0,0,0,0|1,0,1]=4 3805 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 527a_100000751104_100103153847 [0,2,0,0,0,0|1,0,1]=4 3806 B12R1.107 CC(C)CC(=O)c1ccccc1 1458a_100000185807_100000210624 [0,2,0,0,0,0|1,0,0]=3 3807 B12R1.107 CC(C)NC(=O)c1ccccc1 11a_100138425928_100000185807 [0,2,0,0,0,0|0,0,0]=2 3808 B12R1.107 CC(C)NC(=O)c1ccccc1 1626a_100138425928_100000185807 [0,2,0,0,0,0|0,0,0]=2 3809 B12R1.107 CC(C)NC(=O)c1ccccc1 240690a_100138425928_100000185807 [0,2,0,0,0,0|0,0,0]=2 3810 B12R1.107 CC(C)NC(=O)c1ccccc1 527a_100138425928_100000185807 [0,2,0,0,0,0|0,0,0]=2 3811 B12R1.107 CC(C)NC(C)c1ccccc1 2230a_100138425928_100000230085 [0,2,0,0,0,0|1,0,1]=4 3812 B12R1.107 CC(C)NC(C)c1ccccc1 34a_100138425928_100000211855 [0,2,0,0,0,0|1,0,1]=4 3813 B12R1.107 CC(C)N[C@H](C)c1ccccc1 2230a_100000751104_100000210206 [0,2,0,0,0,0|1,0,1]=4 3814 B12R1.107 CC(CN(C)C)c1ccccc1 2230a_100102631434_100000756946 [0,2,0,0,0,0|1,0,1]=4 3815 B12R1.107 CC(CN(C)C)c1ccccc1 269982a_100102631434_100000756946 [0,2,0,0,0,0|1,0,1]=4 3816 B12R1.107 CC(CN(C)C)c1ccccc1 270004a_100102631434_100000212034 [0,2,0,0,0,0|1,0,1]=4 3817 B12R1.107 CC(O)CC(=O)c1ccccc1 1458a_100000185807_100011218427 [0,2,0,0,0,0|1,0,0]=3 3818 B12R1.107 CN(C)CC(=O)c1ccccc1 269982a_100102631434_100000211460 [0,2,0,0,0,0|0,0,0]=2 3819 B12R1.107 CN(C)CC(=O)c1ccccn1 269982a_100102631434_100000027445 [0,2,0,0,0,0|1,0,0]=3 3820 B12R1.107 CN(C)CC(=O)c1cccnc1 269982a_100102631434_100000757877 [0,2,0,0,0,0|1,0,0]=3 3821 B12R1.107 CN(C)CC(=O)c1ccncc1 269982a_100102631434_100000027454 [0,2,0,0,0,0|1,0,0]=3 3822 B12R1.107 CN(C)CC(O)c1ccccc1 2230a_100000227976_200000210301 [0,2,0,0,0,0|0,0,2]=4 3823 B12R1.107 CN(C)CC(O)c1ccccc1 2230a_100102631434_100000185958 [0,2,0,0,0,0|0,0,2]=4 3824 B12R1.107 CN(C)CC(O)c1ccccc1 269982a_100000227976_200000210301 [0,2,0,0,0,0|0,0,2]=4 3825 B12R1.107 CN(C)CS(=O)c1ccccc1 269982a_100102631434_100000031784 [0,2,0,0,0,0|1,0,0]=3 3826 B12R1.107 CN(C)C[C@@H](O)c1ccccc1 2230a_100102631434_100011933945 [0,2,0,0,0,0|0,0,2]=4 3827 B12R1.107 CN([13CH3])CC(O)c1ccccc1 2230a_100000227976_200025704644 [0,2,0,0,0,0|0,0,2]=4 3828 B12R1.107 CN([13CH3])CC(O)c1ccccc1 269982a_100000227976_200025704644 [0,2,0,0,0,0|0,0,2]=4 3829 B12R1.107 NC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000187820 [0,2,0,0,0,0|1,0,1]=4 3830 B12R1.107 O=C(CC(F)F)c1ccccc1 1458a_100000185807_100011934356 [0,2,0,0,0,0|1,0,0]=3 3831 B12R1.107 O=C(C[N+](=O)[O-])c1ccccc1 1458a_100000185807_100000761209 [0,2,0,0,0,0|1,0,1]=4 3832 B12R1.107 O=C([O-])CC(=O)c1ccccc1 1458a_100000185807_100020667443 [0,2,0,0,0,0|1,0,1]=4 3833 B12R1.308 C#CCC(=O)c1ccccc1Br 1458a_100000188424_100000184674 [0,2,0,0,0,0|1,0,1]=4 3834 B12R1.308 C#CCC(=O)c1ccccc1C 1458a_100000212026_100000184674 [0,2,0,0,0,0|1,0,1]=4 3835 B12R1.308 C#CCC(=O)c1ccccc1Cl 1458a_100000185844_100000184674 [0,2,0,0,0,0|1,0,1]=4 3836 B12R1.308 C#CCC(=O)c1ccccc1F 1458a_100000188656_100000184674 [0,2,0,0,0,0|1,0,1]=4 3837 B12R1.308 C#CCC(=O)c1ccccc1I 1458a_100000187884_100000184674 [0,2,0,0,0,0|1,0,1]=4 3838 B12R1.308 C#CCC(=O)c1ccccc1O 1458a_100015234032_100000184674 [0,2,0,0,0,0|1,0,1]=4 3839 B12R1.308 C#CCC(=O)c1ccccc1[O-] 1458a_100009911694_100000184674 [0,2,0,0,0,0|1,0,1]=4 3840 B12R1.308 C=CCC(=O)c1ccccc1Br 1458a_100000188424_100000210623 [0,2,0,0,0,0|1,0,1]=4 3841 B12R1.308 C=CCC(=O)c1ccccc1C 1458a_100000212026_100000210623 [0,2,0,0,0,0|1,0,1]=4 3842 B12R1.308 C=CCC(=O)c1ccccc1Cl 1458a_100000185844_100000210623 [0,2,0,0,0,0|1,0,1]=4 3843 B12R1.308 C=CCC(=O)c1ccccc1F 1458a_100000188656_100000210623 [0,2,0,0,0,0|1,0,1]=4 3844 B12R1.308 C=CCC(=O)c1ccccc1I 1458a_100000187884_100000210623 [0,2,0,0,0,0|1,0,1]=4 3845 B12R1.308 C=CCC(=O)c1ccccc1O 1458a_100015234032_100000210623 [0,2,0,0,0,0|1,0,1]=4 3846 B12R1.308 C=CCC(=O)c1ccccc1[O-] 1458a_100009911694_100000210623 [0,2,0,0,0,0|1,0,1]=4 3847 B12R1.308 CC(NCF)c1ccccc1Cl 34a_100000174978_100015361967 [0,2,0,0,0,0|1,0,1]=4 3848 B12R1.308 CC(NCF)c1ccccc1F 34a_100000181408_100015361967 [0,2,0,0,0,0|1,0,1]=4 3849 B12R1.308 CCCC(=O)c1ccccc1Br 1458a_100000188424_100000210303 [0,2,0,0,0,0|1,0,0]=3 3850 B12R1.308 CCCC(=O)c1ccccc1C 1458a_100000212026_100000210303 [0,2,0,0,0,0|1,0,0]=3 3851 B12R1.308 CCCC(=O)c1ccccc1Cl 1458a_100000185844_100000210303 [0,2,0,0,0,0|1,0,0]=3 3852 B12R1.308 CCCC(=O)c1ccccc1F 1458a_100000188656_100000210303 [0,2,0,0,0,0|1,0,0]=3 3853 B12R1.308 CCCC(=O)c1ccccc1I 1458a_100000187884_100000210303 [0,2,0,0,0,0|1,0,0]=3 3854 B12R1.308 CCCC(=O)c1ccccc1O 1458a_100015234032_100000210303 [0,2,0,0,0,0|1,0,0]=3 3855 B12R1.308 CCCC(=O)c1ccccc1[O-] 1458a_100009911694_100000210303 [0,2,0,0,0,0|1,0,0]=3 3856 B12R1.308 CCNC(=O)c1ccccc1Br 11a_100015525214_100000188424 [0,2,0,0,0,0|0,0,0]=2 3857 B12R1.308 CCNC(=O)c1ccccc1Br 240690a_100015525214_100000188424 [0,2,0,0,0,0|0,0,0]=2 3858 B12R1.308 CCNC(=O)c1ccccc1Br 527a_100015525214_100000188424 [0,2,0,0,0,0|0,0,0]=2 3859 B12R1.308 CCNC(=O)c1ccccc1C 11a_100015525214_100000212026 [0,2,0,0,0,0|0,0,0]=2 3860 B12R1.308 CCNC(=O)c1ccccc1C 240690a_100015525214_100000212026 [0,2,0,0,0,0|0,0,0]=2 3861 B12R1.308 CCNC(=O)c1ccccc1C 527a_100015525214_100000212026 [0,2,0,0,0,0|0,0,0]=2 3862 B12R1.308 CCNC(=O)c1ccccc1Cl 11a_100015525214_100000185844 [0,2,0,0,0,0|0,0,0]=2 3863 B12R1.308 CCNC(=O)c1ccccc1Cl 240690a_100015525214_100000185844 [0,2,0,0,0,0|0,0,0]=2 3864 B12R1.308 CCNC(=O)c1ccccc1Cl 527a_100015525214_100000185844 [0,2,0,0,0,0|0,0,0]=2 3865 B12R1.308 CCNC(=O)c1ccccc1F 11a_100015525214_100000188656 [0,2,0,0,0,0|0,0,0]=2 3866 B12R1.308 CCNC(=O)c1ccccc1F 240690a_100015525214_100000188656 [0,2,0,0,0,0|0,0,0]=2 3867 B12R1.308 CCNC(=O)c1ccccc1F 527a_100015525214_100000188656 [0,2,0,0,0,0|0,0,0]=2 3868 B12R1.308 CCNC(=O)c1ccccc1I 11a_100015525214_100000187884 [0,2,0,0,0,0|0,0,0]=2 3869 B12R1.308 CCNC(=O)c1ccccc1I 240690a_100015525214_100000187884 [0,2,0,0,0,0|0,0,0]=2 3870 B12R1.308 CCNC(=O)c1ccccc1I 527a_100015525214_100000187884 [0,2,0,0,0,0|0,0,0]=2 3871 B12R1.308 CCNC(=O)c1ccccc1O 240690a_100015525214_100015234032 [0,2,0,0,0,0|0,0,0]=2 3872 B12R1.308 CCNC(=O)c1ccccc1O 271570a_203496583355_200000155173 [0,2,0,0,0,0|0,0,0]=2 3873 B12R1.308 CCNC(=O)c1ccccc1[O-] 240690a_100015525214_100009911694 [0,2,0,0,0,0|0,0,0]=2 3874 B12R1.308 CCNC(=O)c1ccccc1[O-] 527a_100015525214_100009911694 [0,2,0,0,0,0|0,0,0]=2 3875 B12R1.308 CCNC(=O)c1cccnc1O 271570a_203496583355_100000160120 [0,2,0,0,0,0|1,0,0]=3 3876 B12R1.308 CCNC(C)c1ccccc1Br 2230a_100000181357_100000210202 [0,2,0,0,0,0|1,0,1]=4 3877 B12R1.308 CCNC(C)c1ccccc1Br 269862a_100015525214_100000187085 [0,2,0,0,0,0|1,0,1]=4 3878 B12R1.308 CCNC(C)c1ccccc1C 2230a_100000181355_100000210202 [0,2,0,0,0,0|1,0,1]=4 3879 B12R1.308 CCNC(C)c1ccccc1C 269862a_100015525214_100000211656 [0,2,0,0,0,0|1,0,1]=4 3880 B12R1.308 CCNC(C)c1ccccc1C 34a_100000181355_100000210202 [0,2,0,0,0,0|1,0,1]=4 3881 B12R1.308 CCNC(C)c1ccccc1Cl 2230a_100000174978_100000210202 [0,2,0,0,0,0|1,0,1]=4 3882 B12R1.308 CCNC(C)c1ccccc1Cl 2230a_100015525214_100000181259 [0,2,0,0,0,0|1,0,1]=4 3883 B12R1.308 CCNC(C)c1ccccc1Cl 269862a_100015525214_100000210134 [0,2,0,0,0,0|1,0,1]=4 3884 B12R1.308 CCNC(C)c1ccccc1Cl 34a_100000174978_100000210202 [0,2,0,0,0,0|1,0,1]=4 3885 B12R1.308 CCNC(C)c1ccccc1F 2230a_100000181408_100000210202 [0,2,0,0,0,0|1,0,1]=4 3886 B12R1.308 CCNC(C)c1ccccc1F 2230a_100015525214_200000741388 [0,2,0,0,0,0|1,0,1]=4 3887 B12R1.308 CCNC(C)c1ccccc1F 269862a_100015525214_100000210632 [0,2,0,0,0,0|1,0,1]=4 3888 B12R1.308 CCNC(C)c1ccccc1F 34a_100000181408_100000210202 [0,2,0,0,0,0|1,0,1]=4 3889 B12R1.308 CCNC(C)c1ccccc1I 269862a_100015525214_100000751169 [0,2,0,0,0,0|1,0,1]=4 3890 B12R1.308 CCN[C@H](C)c1ccccc1O 2230a_100025703389_100000210202 [0,2,0,0,0,0|1,0,1]=4 3891 B12R1.308 CCOC(=O)c1ccccc1O 271570a_203496583355_100000169879 [0,2,0,0,0,0|1,0,0]=3 3892 B12R1.308 CCOC(=O)c1cccnc1O 271570a_203496583355_100000170124 [0,2,0,0,0,0|2,0,0]=4 3893 B12R1.308 CCOC(=O)c1ccncc1O 271570a_203496583355_100010238393 [0,2,0,0,0,0|2,0,0]=4 3894 B12R1.308 CCOC(=O)c1cnccc1O 271570a_203496583355_100016987518 [0,2,0,0,0,0|2,0,0]=4 3895 B12R1.308 CCOC(=O)c1ncccc1O 271570a_203496583355_100012351660 [0,2,0,0,0,0|2,0,0]=4 3896 B12R1.308 CNCC(=O)c1ccccc1Br 34a_100102657272_100000199116 [0,2,0,0,0,0|0,0,0]=2 3897 B12R1.308 CNCC(=O)c1ccccc1C 2230a_106832991635_100000741374 [0,2,0,0,0,0|0,0,0]=2 3898 B12R1.308 CNCC(=O)c1ccccc1C 34a_100102657272_100000741374 [0,2,0,0,0,0|0,0,0]=2 3899 B12R1.308 CNCC(=O)c1ccccc1C 7a_106832991635_100000741374 [0,2,0,0,0,0|0,0,0]=2 3900 B12R1.308 CNCC(=O)c1ccccc1Cl 34a_100102657272_100000211432 [0,2,0,0,0,0|0,0,0]=2 3901 B12R1.308 CNCC(=O)c1ccccc1F 34a_100102657272_100000204681 [0,2,0,0,0,0|0,0,0]=2 3902 B12R1.308 CNCC(=O)c1ccccc1F 7a_106832991635_100000204681 [0,2,0,0,0,0|0,0,0]=2 3903 B12R1.308 CNCC(=O)c1ccccc1O 7a_106832991635_100000188908 [0,2,0,0,0,0|0,0,0]=2 3904 B12R1.308 CNCC(O)c1ccccc1Br 2230a_100011236429_200000210301 [0,2,0,0,0,0|0,0,2]=4 3905 B12R1.308 CNCC(O)c1ccccc1Cl 2230a_200000759403_200000210301 [0,2,0,0,0,0|0,0,2]=4 3906 B12R1.308 CNCC(O)c1ccccc1Cl 34a_200000759403_200000210301 [0,2,0,0,0,0|0,0,2]=4 3907 B12R1.308 CNNC(=O)c1ccccc1Br 22a_100016993582_100000188424 [0,2,0,0,0,0|0,0,0]=2 3908 B12R1.308 CNNC(=O)c1ccccc1C 22a_100016993582_100000212026 [0,2,0,0,0,0|0,0,0]=2 3909 B12R1.308 CNNC(=O)c1ccccc1Cl 22a_100016993582_100000185844 [0,2,0,0,0,0|0,0,0]=2 3910 B12R1.308 CNNC(=O)c1ccccc1F 22a_100016993582_100000188656 [0,2,0,0,0,0|0,0,0]=2 3911 B12R1.308 CNNC(=O)c1ccccc1I 22a_100016993582_100000187884 [0,2,0,0,0,0|0,0,0]=2 3912 B12R1.308 CNNC(=O)c1ccccc1O 22a_100016993582_100015234032 [0,2,0,0,0,0|0,0,0]=2 3913 B12R1.308 CNNC(=O)c1ccccc1[O-] 22a_100016993582_100009911694 [0,2,0,0,0,0|0,0,0]=2 3914 B12R1.308 COCC(=O)c1ccccc1Br 34a_100138415774_100000199116 [0,2,0,0,0,0|1,0,0]=3 3915 B12R1.308 COCC(=O)c1ccccc1C 34a_100138415774_100000741374 [0,2,0,0,0,0|1,0,0]=3 3916 B12R1.308 COCC(=O)c1ccccc1Cl 34a_100138415774_100000211432 [0,2,0,0,0,0|1,0,0]=3 3917 B12R1.308 COCC(=O)c1ccccc1F 34a_100138415774_100000204681 [0,2,0,0,0,0|1,0,0]=3 3918 B12R1.308 CSCC(=O)c1ccccc1Br 62a_100000199116_200000210301 [0,2,0,0,0,0|1,0,0]=3 3919 B12R1.308 CSCC(=O)c1ccccc1C 62a_100000741374_200000210301 [0,2,0,0,0,0|1,0,0]=3 3920 B12R1.308 CSCC(=O)c1ccccc1C 62a_200000210301_100000741374 [0,2,0,0,0,0|1,0,0]=3 3921 B12R1.308 CSCC(=O)c1ccccc1Cl 62a_100000211432_200000210301 [0,2,0,0,0,0|1,0,0]=3 3922 B12R1.308 CSCC(=O)c1ccccc1Cl 62a_200000210301_100000211432 [0,2,0,0,0,0|1,0,0]=3 3923 B12R1.308 CSCC(=O)c1ccccc1F 62a_100000204681_200000210301 [0,2,0,0,0,0|1,0,0]=3 3924 B12R1.308 CSCC(=O)c1ccccc1F 62a_200000210301_100000204681 [0,2,0,0,0,0|1,0,0]=3 3925 B12R1.308 CSCC(=O)c1ccccc1O 62a_100000188908_200000210301 [0,2,0,0,0,0|1,0,0]=3 3926 B12R1.308 CSCC(=O)c1ccccc1O 62a_200000210301_100000188908 [0,2,0,0,0,0|1,0,0]=3 3927 B12R1.308 Cc1ccccc1C(=O)CC#N 1458a_100000212026_100011214920 [0,2,0,0,0,0|1,0,1]=4 3928 B12R1.308 Cc1ccccc1C(=O)CCF 1458a_100000212026_100011217306 [0,2,0,0,0,0|1,0,0]=3 3929 B12R1.308 Cc1ccccc1C(=O)CCO 1458a_100000212026_100000211926 [0,2,0,0,0,0|1,0,0]=3 3930 B12R1.308 Cc1ccccc1C(=O)CS[13CH3] 62a_100000741374_200025704644 [0,2,0,0,0,0|1,0,0]=3 3931 B12R1.308 Cc1ccccc1C(=O)CS[13CH3] 62a_200025704644_100000741374 [0,2,0,0,0,0|1,0,0]=3 3932 B12R1.308 Cc1ccccc1C(C)NCF 34a_100000181355_100015361967 [0,2,0,0,0,0|1,0,1]=4 3933 B12R1.308 N#CCC(=O)c1ccccc1Br 1458a_100000188424_100011214920 [0,2,0,0,0,0|1,0,1]=4 3934 B12R1.308 N#CCC(=O)c1ccccc1Cl 1458a_100000185844_100011214920 [0,2,0,0,0,0|1,0,1]=4 3935 B12R1.308 N#CCC(=O)c1ccccc1F 1458a_100000188656_100011214920 [0,2,0,0,0,0|1,0,1]=4 3936 B12R1.308 N#CCC(=O)c1ccccc1I 1458a_100000187884_100011214920 [0,2,0,0,0,0|1,0,1]=4 3937 B12R1.308 N#CCC(=O)c1ccccc1O 1458a_100015234032_100011214920 [0,2,0,0,0,0|1,0,1]=4 3938 B12R1.308 N#CCC(=O)c1ccccc1O 271570a_203496583355_100011225204 [0,2,0,0,0,0|1,0,1]=4 3939 B12R1.308 N#CCC(=O)c1ccccc1[O-] 1458a_100009911694_100011214920 [0,2,0,0,0,0|1,0,1]=4 3940 B12R1.308 O=C(CCF)c1ccccc1Br 1458a_100000188424_100011217306 [0,2,0,0,0,0|1,0,0]=3 3941 B12R1.308 O=C(CCF)c1ccccc1Cl 1458a_100000185844_100011217306 [0,2,0,0,0,0|1,0,0]=3 3942 B12R1.308 O=C(CCF)c1ccccc1F 1458a_100000188656_100011217306 [0,2,0,0,0,0|1,0,0]=3 3943 B12R1.308 O=C(CCF)c1ccccc1I 1458a_100000187884_100011217306 [0,2,0,0,0,0|1,0,0]=3 3944 B12R1.308 O=C(CCF)c1ccccc1O 1458a_100015234032_100011217306 [0,2,0,0,0,0|1,0,0]=3 3945 B12R1.308 O=C(CCF)c1ccccc1[O-] 1458a_100009911694_100011217306 [0,2,0,0,0,0|1,0,0]=3 3946 B12R1.308 O=C(CCO)c1ccccc1Br 1458a_100000188424_100000211926 [0,2,0,0,0,0|1,0,0]=3 3947 B12R1.308 O=C(CCO)c1ccccc1Cl 1458a_100000185844_100000211926 [0,2,0,0,0,0|1,0,0]=3 3948 B12R1.308 O=C(CCO)c1ccccc1F 1458a_100000188656_100000211926 [0,2,0,0,0,0|1,0,0]=3 3949 B12R1.308 O=C(CCO)c1ccccc1I 1458a_100000187884_100000211926 [0,2,0,0,0,0|1,0,0]=3 3950 B12R1.308 O=C(CCO)c1ccccc1O 1458a_100015234032_100000211926 [0,2,0,0,0,0|1,0,0]=3 3951 B12R1.308 O=C(CCO)c1ccccc1[O-] 1458a_100009911694_100000211926 [0,2,0,0,0,0|1,0,0]=3 3952 B12R1.308 [13CH3]NCC(O)c1ccccc1Br 2230a_100011236429_200025704644 [0,2,0,0,0,0|0,0,2]=4 3953 B12R1.308 [13CH3]NCC(O)c1ccccc1Cl 2230a_200000759403_200025704644 [0,2,0,0,0,0|0,0,2]=4 3954 B12R1.308 [13CH3]NCC(O)c1ccccc1Cl 34a_200000759403_200025704644 [0,2,0,0,0,0|0,0,2]=4 3955 B12R1.308 [13CH3]SCC(=O)c1ccccc1Br 62a_100000199116_200025704644 [0,2,0,0,0,0|1,0,0]=3 3956 B12R1.308 [13CH3]SCC(=O)c1ccccc1Cl 62a_100000211432_200025704644 [0,2,0,0,0,0|1,0,0]=3 3957 B12R1.308 [13CH3]SCC(=O)c1ccccc1Cl 62a_200025704644_100000211432 [0,2,0,0,0,0|1,0,0]=3 3958 B12R1.308 [13CH3]SCC(=O)c1ccccc1F 62a_100000204681_200025704644 [0,2,0,0,0,0|1,0,0]=3 3959 B12R1.308 [13CH3]SCC(=O)c1ccccc1F 62a_200025704644_100000204681 [0,2,0,0,0,0|1,0,0]=3 3960 B12R1.308 [13CH3]SCC(=O)c1ccccc1O 62a_100000188908_200025704644 [0,2,0,0,0,0|1,0,0]=3 3961 B12R1.308 [13CH3]SCC(=O)c1ccccc1O 62a_200025704644_100000188908 [0,2,0,0,0,0|1,0,0]=3 3962 B12R1.5 C#Cc1ccc(cc1)C(=O)CC 1458a_100011217615_100000210202 [0,2,0,0,0,0|1,0,0]=3 3963 B12R1.5 C#Cc1ccc(cc1)C(=O)CF 1458a_100011217615_100015361967 [0,2,0,0,0,0|2,0,0]=4 3964 B12R1.5 C#Cc1ccc(cc1)C(=O)NC 11a_106832991635_100011217615 [0,2,0,0,0,0|0,0,0]=2 3965 B12R1.5 C#Cc1ccc(cc1)C(=O)NC 1626a_100102657272_100011217615 [0,2,0,0,0,0|0,0,0]=2 3966 B12R1.5 C#Cc1ccc(cc1)C(=O)NC 240690a_100102657272_100011217615 [0,2,0,0,0,0|0,0,0]=2 3967 B12R1.5 C#Cc1ccc(cc1)C(=O)NC 527a_100102657272_100011217615 [0,2,0,0,0,0|0,0,0]=2 3968 B12R1.5 C=Cc1ccc(cc1)C(=O)C#N 271570a_100011290941_100009994572 [0,2,0,0,0,0|2,0,0]=4 3969 B12R1.5 C=Cc1ccc(cc1)C(=O)C=O 271570a_100011290941_100000725942 [0,2,0,0,0,0|2,0,0]=4 3970 B12R1.5 C=Cc1ccc(cc1)C(=O)CC 1458a_100000687532_100000210202 [0,2,0,0,0,0|1,0,0]=3 3971 B12R1.5 C=Cc1ccc(cc1)C(=O)CC 271570a_100011290941_100000211647 [0,2,0,0,0,0|1,0,0]=3 3972 B12R1.5 C=Cc1ccc(cc1)C(=O)CF 1458a_100000687532_100015361967 [0,2,0,0,0,0|2,0,0]=4 3973 B12R1.5 C=Cc1ccc(cc1)C(=O)CN 271570a_100011290941_100000017248 [0,2,0,0,0,0|2,0,0]=4 3974 B12R1.5 C=Cc1ccc(cc1)C(=O)CO 271570a_100011290941_100011219529 [0,2,0,0,0,0|2,0,0]=4 3975 B12R1.5 C=Cc1ccc(cc1)C(=O)NC 11a_106832991635_100000687532 [0,2,0,0,0,0|0,0,0]=2 3976 B12R1.5 C=Cc1ccc(cc1)C(=O)NC 1626a_100102657272_100000687532 [0,2,0,0,0,0|0,0,0]=2 3977 B12R1.5 C=Cc1ccc(cc1)C(=O)NC 240690a_100102657272_100000687532 [0,2,0,0,0,0|0,0,0]=2 3978 B12R1.5 C=Cc1ccc(cc1)C(=O)NC 271570a_100011290941_100000155074 [0,2,0,0,0,0|0,0,0]=2 3979 B12R1.5 C=Cc1ccc(cc1)C(=O)NC 527a_100102657272_100000687532 [0,2,0,0,0,0|0,0,0]=2 3980 B12R1.5 C=Cc1ccc(cc1)C(=O)NN 271570a_100011290941_100000183614 [0,2,0,0,0,0|1,0,0]=3 3981 B12R1.5 C=Cc1ccc(cc1)C(=O)OC 271570a_100011290941_100000150774 [0,2,0,0,0,0|1,0,0]=3 3982 B12R1.5 C=Cc1ccc(cc1)C(C)NC 2230a_200012023546_200000210301 [0,2,0,0,0,0|1,0,1]=4 3983 B12R1.5 C=Cc1ccc(cc1)C(C)NC 271570a_100011290941_100000231103 [0,2,0,0,0,0|1,0,1]=4 3984 B12R1.5 C=Cc1ccc(cc1)C(C)NC 34a_200012023546_200000210301 [0,2,0,0,0,0|1,0,1]=4 3985 B12R1.5 C=Cc1ccc(cc1)C(C)N[13CH3] 2230a_200012023546_200025704644 [0,2,0,0,0,0|1,0,1]=4 3986 B12R1.5 C=Cc1ccc(cc1)C(C)N[13CH3] 34a_200012023546_200025704644 [0,2,0,0,0,0|1,0,1]=4 3987 B12R1.5 C=Cc1ccc(cn1)C(=O)NC 271570a_100011290941_100000159860 [0,2,0,0,0,0|1,0,0]=3 3988 B12R1.5 C=Cc1ccc(cn1)C(=O)NN 271570a_100011290941_100000189807 [0,2,0,0,0,0|2,0,0]=4 3989 B12R1.5 C=Cc1ccc(cn1)C(=O)OC 271570a_100011290941_100000733799 [0,2,0,0,0,0|2,0,0]=4 3990 B12R1.5 C=Cc1ccc(nc1)C(=O)CC 271570a_100011290941_100012351654 [0,2,0,0,0,0|2,0,0]=4 3991 B12R1.5 C=Cc1ccc(nc1)C(=O)NC 271570a_100011290941_100011781262 [0,2,0,0,0,0|1,0,0]=3 3992 B12R1.5 C=Cc1ccc(nc1)C(=O)NN 271570a_100011290941_100011781063 [0,2,0,0,0,0|2,0,0]=4 3993 B12R1.5 C=Cc1ccc(nc1)C(=O)OC 271570a_100011290941_100000690920 [0,2,0,0,0,0|2,0,0]=4 3994 B12R1.5 C=Cc1cnc(nc1)C(=O)NC 271570a_100011290941_200010127873 [0,2,0,0,0,0|2,0,0]=4 3995 B12R1.5 CCC(=O)c1ccc(cc1)C#N 1458a_100000210717_100000210202 [0,2,0,0,0,0|1,0,0]=3 3996 B12R1.5 CCC(=O)c1ccc(cc1)CC 1458a_100000211226_100000210202 [0,2,0,0,0,0|1,0,0]=3 3997 B12R1.5 CCC(=O)c1ccc(cc1)CO 1458a_100000183892_100000210202 [0,2,0,0,0,0|1,0,0]=3 3998 B12R1.5 CCC(=O)c1ccc(cc1)OC 1458a_100000184203_100000210202 [0,2,0,0,0,0|1,0,0]=3 3999 B12R1.5 CCC(=O)c1ccc(cc1)OC 34a_100000212119_200000210301 [0,2,0,0,0,0|1,0,0]=3 4000 B12R1.5 CCC(=O)c1ccc(cc1)OC 7a_100000212119_200000210301 [0,2,0,0,0,0|1,0,0]=3 4001 B12R1.5 CCC(=O)c1ccc(cc1)O[13CH3] 34a_100000212119_200025704644 [0,2,0,0,0,0|1,0,0]=3 4002 B12R1.5 CCC(=O)c1ccc(cc1)O[13CH3] 7a_100000212119_200025704644 [0,2,0,0,0,0|1,0,0]=3 4003 B12R1.5 CCC(=O)c1ccc(cc1)SC 1458a_100000189692_100000210202 [0,2,0,0,0,0|1,0,0]=3 4004 B12R1.5 CCC(=O)c1ccc(cc1)SC 62a_100000211647_200000210301 [0,2,0,0,0,0|1,0,0]=3 4005 B12R1.5 CCC(=O)c1ccc(cc1)SC 62a_200000210301_100000211647 [0,2,0,0,0,0|1,0,0]=3 4006 B12R1.5 CCC(=O)c1ccc(cc1)S[13CH3] 62a_100000211647_200025704644 [0,2,0,0,0,0|1,0,0]=3 4007 B12R1.5 CCC(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000211647 [0,2,0,0,0,0|1,0,0]=3 4008 B12R1.5 CCC(=O)c1ccc(cn1)SC 62a_100012351654_200000210301 [0,2,0,0,0,0|2,0,0]=4 4009 B12R1.5 CCC(=O)c1ccc(cn1)SC 62a_200000210301_100012351654 [0,2,0,0,0,0|2,0,0]=4 4010 B12R1.5 CCC(=O)c1ccc(cn1)S[13CH3] 62a_100012351654_200025704644 [0,2,0,0,0,0|2,0,0]=4 4011 B12R1.5 CCC(=O)c1ccc(cn1)S[13CH3] 62a_200025704644_100012351654 [0,2,0,0,0,0|2,0,0]=4 4012 B12R1.5 CCc1ccc(cc1)C(=O)CF 1458a_100000211226_100015361967 [0,2,0,0,0,0|2,0,0]=4 4013 B12R1.5 CCc1ccc(cc1)C(=O)NC 11a_106832991635_100000211226 [0,2,0,0,0,0|0,0,0]=2 4014 B12R1.5 CCc1ccc(cc1)C(=O)NC 1626a_100102657272_100000211226 [0,2,0,0,0,0|0,0,0]=2 4015 B12R1.5 CCc1ccc(cc1)C(=O)NC 240690a_100102657272_100000211226 [0,2,0,0,0,0|0,0,0]=2 4016 B12R1.5 CCc1ccc(cc1)C(=O)NC 527a_100102657272_100000211226 [0,2,0,0,0,0|0,0,0]=2 4017 B12R1.5 CCc1ccc(cc1)C(C)NC 2230a_100015186439_200000210301 [0,2,0,0,0,0|1,0,1]=4 4018 B12R1.5 CCc1ccc(cc1)C(C)NC 269862a_106832991636_100000211630 [0,2,0,0,0,0|1,0,1]=4 4019 B12R1.5 CCc1ccc(cc1)C(C)NC 34a_100015186439_200000210301 [0,2,0,0,0,0|1,0,1]=4 4020 B12R1.5 CCc1ccc(cc1)C(C)N[13CH3] 2230a_100015186439_200025704644 [0,2,0,0,0,0|1,0,1]=4 4021 B12R1.5 CCc1ccc(cc1)C(C)N[13CH3] 34a_100015186439_200025704644 [0,2,0,0,0,0|1,0,1]=4 4022 B12R1.5 CNC(=O)c1ccc(cc1)C#N 11a_106832991635_100000210717 [0,2,0,0,0,0|0,0,0]=2 4023 B12R1.5 CNC(=O)c1ccc(cc1)C#N 1626a_100102657272_100000210717 [0,2,0,0,0,0|0,0,0]=2 4024 B12R1.5 CNC(=O)c1ccc(cc1)C#N 240690a_100102657272_100000210717 [0,2,0,0,0,0|0,0,0]=2 4025 B12R1.5 CNC(=O)c1ccc(cc1)C#N 527a_100102657272_100000210717 [0,2,0,0,0,0|0,0,0]=2 4026 B12R1.5 CNC(=O)c1ccc(cc1)CO 1626a_100102657272_100000183892 [0,2,0,0,0,0|0,0,0]=2 4027 B12R1.5 CNC(=O)c1ccc(cc1)CO 240690a_100102657272_100000183892 [0,2,0,0,0,0|0,0,0]=2 4028 B12R1.5 CNC(=O)c1ccc(cc1)NC 2230a_100000184841_200000210301 [0,2,0,0,0,0|0,0,0]=2 4029 B12R1.5 CNC(=O)c1ccc(cc1)NC 27a_100102657272_100000155074 [0,2,0,0,0,0|0,0,0]=2 4030 B12R1.5 CNC(=O)c1ccc(cc1)NC 34a_100000184841_200000210301 [0,2,0,0,0,0|0,0,0]=2 4031 B12R1.5 CNC(=O)c1ccc(cc1)N[13CH3] 2230a_100000184841_200025704644 [0,2,0,0,0,0|0,0,0]=2 4032 B12R1.5 CNC(=O)c1ccc(cc1)N[13CH3] 34a_100000184841_200025704644 [0,2,0,0,0,0|0,0,0]=2 4033 B12R1.5 CNC(=O)c1ccc(cc1)OC 11a_106832991635_100000184203 [0,2,0,0,0,0|0,0,0]=2 4034 B12R1.5 CNC(=O)c1ccc(cc1)OC 1626a_100102657272_100000184203 [0,2,0,0,0,0|0,0,0]=2 4035 B12R1.5 CNC(=O)c1ccc(cc1)OC 240690a_100102657272_100000184203 [0,2,0,0,0,0|0,0,0]=2 4036 B12R1.5 CNC(=O)c1ccc(cc1)OC 34a_100000192141_200000210301 [0,2,0,0,0,0|0,0,0]=2 4037 B12R1.5 CNC(=O)c1ccc(cc1)OC 527a_100102657272_100000184203 [0,2,0,0,0,0|0,0,0]=2 4038 B12R1.5 CNC(=O)c1ccc(cc1)OC 7a_100000192141_200000210301 [0,2,0,0,0,0|0,0,0]=2 4039 B12R1.5 CNC(=O)c1ccc(cc1)O[13CH3] 34a_100000192141_200025704644 [0,2,0,0,0,0|0,0,0]=2 4040 B12R1.5 CNC(=O)c1ccc(cc1)O[13CH3] 7a_100000192141_200025704644 [0,2,0,0,0,0|0,0,0]=2 4041 B12R1.5 CNC(=O)c1ccc(cc1)SC 11a_106832991635_100000189692 [0,2,0,0,0,0|0,0,0]=2 4042 B12R1.5 CNC(=O)c1ccc(cc1)SC 1626a_100102657272_100000189692 [0,2,0,0,0,0|0,0,0]=2 4043 B12R1.5 CNC(=O)c1ccc(cc1)SC 240690a_100102657272_100000189692 [0,2,0,0,0,0|0,0,0]=2 4044 B12R1.5 CNC(=O)c1ccc(cc1)SC 527a_100102657272_100000189692 [0,2,0,0,0,0|0,0,0]=2 4045 B12R1.5 CNC(=O)c1ccc(cc1)SC 62a_100000155074_200000210301 [0,2,0,0,0,0|0,0,0]=2 4046 B12R1.5 CNC(=O)c1ccc(cc1)SC 62a_200000210301_100000155074 [0,2,0,0,0,0|0,0,0]=2 4047 B12R1.5 CNC(=O)c1ccc(cc1)S[13CH3] 62a_100000155074_200025704644 [0,2,0,0,0,0|0,0,0]=2 4048 B12R1.5 CNC(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000155074 [0,2,0,0,0,0|0,0,0]=2 4049 B12R1.5 CNC(=O)c1ccc(cn1)NC 27a_100102657272_100011781262 [0,2,0,0,0,0|1,0,0]=3 4050 B12R1.5 CNC(=O)c1ccc(cn1)OC 34a_100009861314_200000210301 [0,2,0,0,0,0|1,0,0]=3 4051 B12R1.5 CNC(=O)c1ccc(cn1)OC 7a_100009861314_200000210301 [0,2,0,0,0,0|1,0,0]=3 4052 B12R1.5 CNC(=O)c1ccc(cn1)O[13CH3] 34a_100009861314_200025704644 [0,2,0,0,0,0|1,0,0]=3 4053 B12R1.5 CNC(=O)c1ccc(cn1)O[13CH3] 7a_100009861314_200025704644 [0,2,0,0,0,0|1,0,0]=3 4054 B12R1.5 CNC(=O)c1ccc(cn1)SC 62a_100011781262_200000210301 [0,2,0,0,0,0|1,0,0]=3 4055 B12R1.5 CNC(=O)c1ccc(cn1)SC 62a_200000210301_100011781262 [0,2,0,0,0,0|1,0,0]=3 4056 B12R1.5 CNC(=O)c1ccc(cn1)S[13CH3] 62a_100011781262_200025704644 [0,2,0,0,0,0|1,0,0]=3 4057 B12R1.5 CNC(=O)c1ccc(cn1)S[13CH3] 62a_200025704644_100011781262 [0,2,0,0,0,0|1,0,0]=3 4058 B12R1.5 CNC(=O)c1ccc(nc1)NC 27a_100102657272_100000159860 [0,2,0,0,0,0|1,0,0]=3 4059 B12R1.5 CNC(=O)c1ccc(nc1)SC 62a_100000159860_200000210301 [0,2,0,0,0,0|1,0,0]=3 4060 B12R1.5 CNC(=O)c1ccc(nc1)SC 62a_200000210301_100000159860 [0,2,0,0,0,0|1,0,0]=3 4061 B12R1.5 CNC(=O)c1ccc(nc1)S[13CH3] 62a_100000159860_200025704644 [0,2,0,0,0,0|1,0,0]=3 4062 B12R1.5 CNC(=O)c1ccc(nc1)S[13CH3] 62a_200025704644_100000159860 [0,2,0,0,0,0|1,0,0]=3 4063 B12R1.5 CNC(=O)c1ncc(cn1)NC 27a_100102657272_200010127873 [0,2,0,0,0,0|2,0,0]=4 4064 B12R1.5 CNC(=O)c1ncc(cn1)SC 62a_200000210301_200010127873 [0,2,0,0,0,0|2,0,0]=4 4065 B12R1.5 CNC(=O)c1ncc(cn1)SC 62a_200010127873_200000210301 [0,2,0,0,0,0|2,0,0]=4 4066 B12R1.5 CNC(=O)c1ncc(cn1)S[13CH3] 62a_200010127873_200025704644 [0,2,0,0,0,0|2,0,0]=4 4067 B12R1.5 CNC(=O)c1ncc(cn1)S[13CH3] 62a_200025704644_200010127873 [0,2,0,0,0,0|2,0,0]=4 4068 B12R1.5 CNC(C)c1ccc(cc1)C#N 269862a_106832991636_100000182420 [0,2,0,0,0,0|1,0,1]=4 4069 B12R1.5 CNC(C)c1ccc(cc1)CO 269862a_106832991636_100000082505 [0,2,0,0,0,0|1,0,1]=4 4070 B12R1.5 CNC(C)c1ccc(cc1)OC 269862a_106832991636_100000169859 [0,2,0,0,0,0|1,0,1]=4 4071 B12R1.5 CNC(C)c1ccc(cc1)SC 2230a_100000738722_200000210301 [0,2,0,0,0,0|1,0,1]=4 4072 B12R1.5 CNC(C)c1ccc(cc1)SC 269862a_106832991636_100000185071 [0,2,0,0,0,0|1,0,1]=4 4073 B12R1.5 CNC(C)c1ccc(cc1)SC 62a_100000231103_200000210301 [0,2,0,0,0,0|1,0,1]=4 4074 B12R1.5 CNC(C)c1ccc(cc1)SC 62a_200000210301_100000231103 [0,2,0,0,0,0|1,0,1]=4 4075 B12R1.5 CNC(C)c1ccc(cc1)S[13CH3] 62a_100000231103_200025704644 [0,2,0,0,0,0|1,0,1]=4 4076 B12R1.5 CNC(C)c1ccc(cc1)S[13CH3] 62a_200025704644_100000231103 [0,2,0,0,0,0|1,0,1]=4 4077 B12R1.5 CN[C@H](C)c1ccc(cc1)C#N 2230a_100016991473_200000210301 [0,2,0,0,0,0|1,0,1]=4 4078 B12R1.5 CN[C@H](C)c1ccc(cc1)C#N 34a_100016991473_200000210301 [0,2,0,0,0,0|1,0,1]=4 4079 B12R1.5 CN[C@H](C)c1ccc(cc1)OC 2230a_100011830352_200000210301 [0,2,0,0,0,0|1,0,1]=4 4080 B12R1.5 CNc1ccc(cc1)C(=O)NN 27a_100102657272_100000183614 [0,2,0,0,0,0|1,0,0]=3 4081 B12R1.5 CNc1ccc(cc1)C(C)NC 269862a_106832991636_100011806243 [0,2,0,0,0,0|1,0,1]=4 4082 B12R1.5 CNc1ccc(cn1)C(=O)NN 27a_100102657272_100000189807 [0,2,0,0,0,0|2,0,0]=4 4083 B12R1.5 CNc1ccc(cn1)C(=O)OC 27a_100102657272_100000733799 [0,2,0,0,0,0|2,0,0]=4 4084 B12R1.5 COC(=O)c1ccc(cc1)OC 34a_100000150123_200000210301 [0,2,0,0,0,0|1,0,0]=3 4085 B12R1.5 COC(=O)c1ccc(cc1)OC 7a_100000150123_200000210301 [0,2,0,0,0,0|1,0,0]=3 4086 B12R1.5 COC(=O)c1ccc(cc1)O[13CH3] 34a_100000150123_200025704644 [0,2,0,0,0,0|1,0,0]=3 4087 B12R1.5 COC(=O)c1ccc(cc1)O[13CH3] 7a_100000150123_200025704644 [0,2,0,0,0,0|1,0,0]=3 4088 B12R1.5 COC(=O)c1ccc(cc1)SC 62a_100000150774_200000210301 [0,2,0,0,0,0|1,0,0]=3 4089 B12R1.5 COC(=O)c1ccc(cc1)SC 62a_200000210301_100000150774 [0,2,0,0,0,0|1,0,0]=3 4090 B12R1.5 COC(=O)c1ccc(cc1)S[13CH3] 62a_100000150774_200025704644 [0,2,0,0,0,0|1,0,0]=3 4091 B12R1.5 COC(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000150774 [0,2,0,0,0,0|1,0,0]=3 4092 B12R1.5 COC(=O)c1ccc(cn1)OC 34a_100011997255_200000210301 [0,2,0,0,0,0|2,0,0]=4 4093 B12R1.5 COC(=O)c1ccc(cn1)OC 7a_100011997255_200000210301 [0,2,0,0,0,0|2,0,0]=4 4094 B12R1.5 COC(=O)c1ccc(cn1)O[13CH3] 34a_100011997255_200025704644 [0,2,0,0,0,0|2,0,0]=4 4095 B12R1.5 COC(=O)c1ccc(cn1)O[13CH3] 7a_100011997255_200025704644 [0,2,0,0,0,0|2,0,0]=4 4096 B12R1.5 COC(=O)c1ccc(cn1)SC 62a_100102712061_200000210301 [0,2,0,0,0,0|2,0,0]=4 4097 B12R1.5 COC(=O)c1ccc(cn1)SC 62a_200000210301_100102712061 [0,2,0,0,0,0|2,0,0]=4 4098 B12R1.5 COC(=O)c1ccc(cn1)S[13CH3] 62a_100102712061_200025704644 [0,2,0,0,0,0|2,0,0]=4 4099 B12R1.5 COC(=O)c1ccc(cn1)S[13CH3] 62a_200025704644_100102712061 [0,2,0,0,0,0|2,0,0]=4 4100 B12R1.5 COC(=O)c1ccc(nc1)SC 62a_100000733799_200000210301 [0,2,0,0,0,0|2,0,0]=4 4101 B12R1.5 COC(=O)c1ccc(nc1)SC 62a_200000210301_100000733799 [0,2,0,0,0,0|2,0,0]=4 4102 B12R1.5 COC(=O)c1ccc(nc1)S[13CH3] 62a_100000733799_200025704644 [0,2,0,0,0,0|2,0,0]=4 4103 B12R1.5 COC(=O)c1ccc(nc1)S[13CH3] 62a_200025704644_100000733799 [0,2,0,0,0,0|2,0,0]=4 4104 B12R1.5 COc1ccc(cc1)C(=O)CBr 7a_100009814261_200000210301 [0,2,0,0,0,0|2,0,0]=4 4105 B12R1.5 COc1ccc(cc1)C(=O)CCl 7a_100000018856_200000210301 [0,2,0,0,0,0|2,0,0]=4 4106 B12R1.5 COc1ccc(cc1)C(=O)CF 1458a_100000184203_100015361967 [0,2,0,0,0,0|2,0,0]=4 4107 B12R1.5 COc1ccc(cc1)C(=O)CF 34a_200010654591_200000210301 [0,2,0,0,0,0|2,0,0]=4 4108 B12R1.5 COc1ccc(cc1)C(=O)CF 7a_200010654591_200000210301 [0,2,0,0,0,0|2,0,0]=4 4109 B12R1.5 COc1ccc(cc1)C(=O)NN 34a_100000185078_200000210301 [0,2,0,0,0,0|1,0,0]=3 4110 B12R1.5 COc1ccc(cc1)[C@@H](C)N[13CH3] 2230a_100011830352_200025704644 [0,2,0,0,0,0|1,0,1]=4 4111 B12R1.5 CSc1ccc(cc1)C(=O)C#N 62a_200000210301_100009994572 [0,2,0,0,0,0|2,0,0]=4 4112 B12R1.5 CSc1ccc(cc1)C(=O)C=O 62a_100000725942_200000210301 [0,2,0,0,0,0|2,0,0]=4 4113 B12R1.5 CSc1ccc(cc1)C(=O)C=O 62a_200000210301_100000725942 [0,2,0,0,0,0|2,0,0]=4 4114 B12R1.5 CSc1ccc(cc1)C(=O)CF 1458a_100000189692_100015361967 [0,2,0,0,0,0|2,0,0]=4 4115 B12R1.5 CSc1ccc(cc1)C(=O)CN 62a_100000017248_200000210301 [0,2,0,0,0,0|2,0,0]=4 4116 B12R1.5 CSc1ccc(cc1)C(=O)CN 62a_200000210301_100000017248 [0,2,0,0,0,0|2,0,0]=4 4117 B12R1.5 CSc1ccc(cc1)C(=O)CO 62a_100011219529_200000210301 [0,2,0,0,0,0|2,0,0]=4 4118 B12R1.5 CSc1ccc(cc1)C(=O)CO 62a_200000210301_100011219529 [0,2,0,0,0,0|2,0,0]=4 4119 B12R1.5 CSc1ccc(cc1)C(=O)NN 62a_100000183614_200000210301 [0,2,0,0,0,0|1,0,0]=3 4120 B12R1.5 CSc1ccc(cc1)C(=O)NN 62a_200000210301_100000183614 [0,2,0,0,0,0|1,0,0]=3 4121 B12R1.5 CSc1ccc(cc1)C(C)N[13CH3] 2230a_100000738722_200025704644 [0,2,0,0,0,0|1,0,1]=4 4122 B12R1.5 CSc1ccc(cn1)C(=O)NN 62a_100000189807_200000210301 [0,2,0,0,0,0|2,0,0]=4 4123 B12R1.5 CSc1ccc(cn1)C(=O)NN 62a_200000210301_100000189807 [0,2,0,0,0,0|2,0,0]=4 4124 B12R1.5 CSc1ccc(nc1)C(=O)NN 62a_100011781063_200000210301 [0,2,0,0,0,0|2,0,0]=4 4125 B12R1.5 CSc1ccc(nc1)C(=O)NN 62a_200000210301_100011781063 [0,2,0,0,0,0|2,0,0]=4 4126 B12R1.5 C[C@@H](N[13CH3])c1ccc(cc1)C#N 2230a_100016991473_200025704644 [0,2,0,0,0,0|1,0,1]=4 4127 B12R1.5 C[C@@H](N[13CH3])c1ccc(cc1)C#N 34a_100016991473_200025704644 [0,2,0,0,0,0|1,0,1]=4 4128 B12R1.5 N#Cc1ccc(cc1)C(=O)CF 1458a_100000210717_100015361967 [0,2,0,0,0,0|2,0,0]=4 4129 B12R1.5 O=C(CF)c1ccc(cc1)CO 1458a_100000183892_100015361967 [0,2,0,0,0,0|2,0,0]=4 4130 B12R1.5 [13CH3]Oc1ccc(cc1)C(=O)CBr 7a_100009814261_200025704644 [0,2,0,0,0,0|2,0,0]=4 4131 B12R1.5 [13CH3]Oc1ccc(cc1)C(=O)CCl 7a_100000018856_200025704644 [0,2,0,0,0,0|2,0,0]=4 4132 B12R1.5 [13CH3]Oc1ccc(cc1)C(=O)CF 34a_200010654591_200025704644 [0,2,0,0,0,0|2,0,0]=4 4133 B12R1.5 [13CH3]Oc1ccc(cc1)C(=O)CF 7a_200010654591_200025704644 [0,2,0,0,0,0|2,0,0]=4 4134 B12R1.5 [13CH3]Oc1ccc(cc1)C(=O)NN 34a_100000185078_200025704644 [0,2,0,0,0,0|1,0,0]=3 4135 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)C#N 62a_200025704644_100009994572 [0,2,0,0,0,0|2,0,0]=4 4136 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)C=O 62a_100000725942_200025704644 [0,2,0,0,0,0|2,0,0]=4 4137 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)C=O 62a_200025704644_100000725942 [0,2,0,0,0,0|2,0,0]=4 4138 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)CN 62a_100000017248_200025704644 [0,2,0,0,0,0|2,0,0]=4 4139 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)CN 62a_200025704644_100000017248 [0,2,0,0,0,0|2,0,0]=4 4140 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)CO 62a_100011219529_200025704644 [0,2,0,0,0,0|2,0,0]=4 4141 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)CO 62a_200025704644_100011219529 [0,2,0,0,0,0|2,0,0]=4 4142 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)NN 62a_100000183614_200025704644 [0,2,0,0,0,0|1,0,0]=3 4143 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)NN 62a_200025704644_100000183614 [0,2,0,0,0,0|1,0,0]=3 4144 B12R1.5 [13CH3]Sc1ccc(cn1)C(=O)NN 62a_100000189807_200025704644 [0,2,0,0,0,0|2,0,0]=4 4145 B12R1.5 [13CH3]Sc1ccc(cn1)C(=O)NN 62a_200025704644_100000189807 [0,2,0,0,0,0|2,0,0]=4 4146 B12R1.5 [13CH3]Sc1ccc(nc1)C(=O)NN 62a_100011781063_200025704644 [0,2,0,0,0,0|2,0,0]=4 4147 B12R1.5 [13CH3]Sc1ccc(nc1)C(=O)NN 62a_200025704644_100011781063 [0,2,0,0,0,0|2,0,0]=4 4148 B12R1.20 CC(=C(C)c1ccc(cc1)Br)C 271570a_200000049429_100000752885 [0,2,0,0,0,0|2,0,0]=4 4149 B12R1.20 CC(=C(C)c1ccc(cc1)C)C 271570a_200000049429_100000186775 [0,2,0,0,0,0|2,0,0]=4 4150 B12R1.20 CC(=C(C)c1ccc(cc1)Cl)C 271570a_200000049429_100000755918 [0,2,0,0,0,0|2,0,0]=4 4151 B12R1.20 CC(=C(C)c1ccc(cc1)F)C 271570a_200000049429_100000211213 [0,2,0,0,0,0|2,0,0]=4 4152 B12R1.20 CC(=C(C)c1ccc(cc1)N)C 271570a_200000049429_100000185761 [0,2,0,0,0,0|2,0,0]=4 4153 B12R1.20 CC(=C(C)c1ccc(cc1)O)C 271570a_200000049429_100000185759 [0,2,0,0,0,0|2,0,0]=4 4154 B12R1.20 CC(C)C(=O)c1ccc(cc1)Br 1458a_100000185839_100000210206 [0,2,0,0,0,0|1,0,0]=3 4155 B12R1.20 CC(C)C(=O)c1ccc(cc1)Cl 1458a_100000210187_100000210206 [0,2,0,0,0,0|1,0,0]=3 4156 B12R1.20 CC(C)C(=O)c1ccc(cc1)F 1458a_100000187176_100000210206 [0,2,0,0,0,0|1,0,0]=3 4157 B12R1.20 CC(C)C(=O)c1ccc(cc1)I 1458a_100000187904_100000210206 [0,2,0,0,0,0|1,0,0]=3 4158 B12R1.20 CC(C)C(=O)c1ccc(cc1)O 1458a_100000212099_100000210206 [0,2,0,0,0,0|1,0,0]=3 4159 B12R1.20 CC(C)C(=O)c1ccc(cc1)O 271570a_203496583355_100011220430 [0,2,0,0,0,0|1,0,0]=3 4160 B12R1.20 CC(C)S(=O)c1ccc(cc1)O 271570a_203496583355_100010749287 [0,2,0,0,0,0|2,0,0]=4 4161 B12R1.20 CC(c1ccc(cc1)Br)N(C)C 2230a_100000231103_200000210301 [0,2,0,0,0,0|1,0,1]=4 4162 B12R1.20 CC(c1ccc(cc1)Br)N(C)C 2230a_100102631434_100000755118 [0,2,0,0,0,0|1,0,1]=4 4163 B12R1.20 CC(c1ccc(cc1)Br)N(C)C 269982a_100000231103_200000210301 [0,2,0,0,0,0|1,0,1]=4 4164 B12R1.20 CC(c1ccc(cc1)Br)N(C)C 269982a_100102631434_100000755118 [0,2,0,0,0,0|1,0,1]=4 4165 B12R1.20 CC(c1ccc(cc1)Br)N(C)[13CH3] 2230a_100000231103_200025704644 [0,2,0,0,0,0|1,0,1]=4 4166 B12R1.20 CC(c1ccc(cc1)Br)N(C)[13CH3] 269982a_100000231103_200025704644 [0,2,0,0,0,0|1,0,1]=4 4167 B12R1.20 CC(c1ccc(cc1)Cl)N(C)C 2230a_100000231102_200000210301 [0,2,0,0,0,0|1,0,1]=4 4168 B12R1.20 CC(c1ccc(cc1)Cl)N(C)C 2230a_100102631434_100000684792 [0,2,0,0,0,0|1,0,1]=4 4169 B12R1.20 CC(c1ccc(cc1)Cl)N(C)C 269982a_100000231102_200000210301 [0,2,0,0,0,0|1,0,1]=4 4170 B12R1.20 CC(c1ccc(cc1)Cl)N(C)C 269982a_100102631434_100000684792 [0,2,0,0,0,0|1,0,1]=4 4171 B12R1.20 CC(c1ccc(cc1)Cl)N(C)[13CH3] 2230a_100000231102_200025704644 [0,2,0,0,0,0|1,0,1]=4 4172 B12R1.20 CC(c1ccc(cc1)Cl)N(C)[13CH3] 269982a_100000231102_200025704644 [0,2,0,0,0,0|1,0,1]=4 4173 B12R1.20 CC(c1ccc(cc1)F)N(C)C 2230a_100000222788_200000210301 [0,2,0,0,0,0|1,0,1]=4 4174 B12R1.20 CC(c1ccc(cc1)F)N(C)C 2230a_100102631434_100000743420 [0,2,0,0,0,0|1,0,1]=4 4175 B12R1.20 CC(c1ccc(cc1)F)N(C)C 269982a_100000222788_200000210301 [0,2,0,0,0,0|1,0,1]=4 4176 B12R1.20 CC(c1ccc(cc1)F)N(C)C 269982a_100102631434_100000743420 [0,2,0,0,0,0|1,0,1]=4 4177 B12R1.20 CC(c1ccc(cc1)F)N(C)C 34a_100000222788_200000210301 [0,2,0,0,0,0|1,0,1]=4 4178 B12R1.20 CC(c1ccc(cc1)F)N(C)[13CH3] 2230a_100000222788_200025704644 [0,2,0,0,0,0|1,0,1]=4 4179 B12R1.20 CC(c1ccc(cc1)F)N(C)[13CH3] 269982a_100000222788_200025704644 [0,2,0,0,0,0|1,0,1]=4 4180 B12R1.20 CC(c1ccc(cc1)F)N(C)[13CH3] 34a_100000222788_200025704644 [0,2,0,0,0,0|1,0,1]=4 4181 B12R1.20 CN(C)C(=O)c1ccc(cc1)Br 11a_100102631434_100000185839 [0,2,0,0,0,0|0,0,0]=2 4182 B12R1.20 CN(C)C(=O)c1ccc(cc1)Br 1626a_100102631434_100000185839 [0,2,0,0,0,0|0,0,0]=2 4183 B12R1.20 CN(C)C(=O)c1ccc(cc1)Br 240690a_100102631434_100000185839 [0,2,0,0,0,0|0,0,0]=2 4184 B12R1.20 CN(C)C(=O)c1ccc(cc1)Br 527a_100102631434_100000185839 [0,2,0,0,0,0|0,0,0]=2 4185 B12R1.20 CN(C)C(=O)c1ccc(cc1)Cl 11a_100102631434_100000210187 [0,2,0,0,0,0|0,0,0]=2 4186 B12R1.20 CN(C)C(=O)c1ccc(cc1)Cl 1626a_100102631434_100000210187 [0,2,0,0,0,0|0,0,0]=2 4187 B12R1.20 CN(C)C(=O)c1ccc(cc1)Cl 240690a_100102631434_100000210187 [0,2,0,0,0,0|0,0,0]=2 4188 B12R1.20 CN(C)C(=O)c1ccc(cc1)Cl 527a_100102631434_100000210187 [0,2,0,0,0,0|0,0,0]=2 4189 B12R1.20 CN(C)C(=O)c1ccc(cc1)F 11a_100102631434_100000187176 [0,2,0,0,0,0|0,0,0]=2 4190 B12R1.20 CN(C)C(=O)c1ccc(cc1)F 1626a_100102631434_100000187176 [0,2,0,0,0,0|0,0,0]=2 4191 B12R1.20 CN(C)C(=O)c1ccc(cc1)F 240690a_100102631434_100000187176 [0,2,0,0,0,0|0,0,0]=2 4192 B12R1.20 CN(C)C(=O)c1ccc(cc1)F 527a_100102631434_100000187176 [0,2,0,0,0,0|0,0,0]=2 4193 B12R1.20 CN(C)C(=O)c1ccc(cc1)I 11a_100102631434_100000187904 [0,2,0,0,0,0|0,0,0]=2 4194 B12R1.20 CN(C)C(=O)c1ccc(cc1)I 1626a_100102631434_100000187904 [0,2,0,0,0,0|0,0,0]=2 4195 B12R1.20 CN(C)C(=O)c1ccc(cc1)I 240690a_100102631434_100000187904 [0,2,0,0,0,0|0,0,0]=2 4196 B12R1.20 CN(C)C(=O)c1ccc(cc1)I 527a_100102631434_100000187904 [0,2,0,0,0,0|0,0,0]=2 4197 B12R1.20 CN(C)C(=O)c1ccc(cc1)O 240690a_100102631434_100000212099 [0,2,0,0,0,0|0,0,0]=2 4198 B12R1.20 CN(C)C(=O)c1ccc(cc1)O 271570a_203496583355_100000159574 [0,2,0,0,0,0|0,0,0]=2 4199 B12R1.20 CN(C)C(=O)c1ccc(cc1)O 527a_100102631434_100000212099 [0,2,0,0,0,0|0,0,0]=2 4200 B12R1.20 CN(C)C(=O)c1ccc(cn1)O 271570a_203496583355_200011781295 [0,2,0,0,0,0|1,0,0]=3 4201 B12R1.20 CN(C)C(=O)c1ccc(nc1)O 271570a_203496583355_100000159593 [0,2,0,0,0,0|1,0,0]=3 4202 B12R1.20 Cc1ccc(cc1)C(=O)C(C)C 1458a_100000188618_100000210206 [0,2,0,0,0,0|1,0,0]=3 4203 B12R1.20 Cc1ccc(cc1)C(=O)N(C)C 11a_100102631434_100000188618 [0,2,0,0,0,0|0,0,0]=2 4204 B12R1.20 Cc1ccc(cc1)C(=O)N(C)C 1626a_100102631434_100000188618 [0,2,0,0,0,0|0,0,0]=2 4205 B12R1.20 Cc1ccc(cc1)C(=O)N(C)C 240690a_100102631434_100000188618 [0,2,0,0,0,0|0,0,0]=2 4206 B12R1.20 Cc1ccc(cc1)C(=O)N(C)C 527a_100102631434_100000188618 [0,2,0,0,0,0|0,0,0]=2 4207 B12R1.20 Cc1ccc(cc1)C(C)N(C)C 2230a_100102631434_100011261388 [0,2,0,0,0,0|1,0,1]=4 4208 B12R1.20 Cc1ccc(cc1)C(C)N(C)C 269982a_100102631434_100011261388 [0,2,0,0,0,0|1,0,1]=4 4209 B12R1.20 NC(=O)C(=O)c1ccc(cc1)O 271570a_203496583355_200009822167 [0,2,0,0,0,0|2,0,0]=4 4210 B12R1.367 CC(N[13CH3])c1ccc(c(c1)Cl)Cl 2230a_100000743459_200025704644 [0,2,0,0,0,0|1,0,1]=4 4211 B12R1.367 CC(N[13CH3])c1ccc(c(c1)Cl)Cl 34a_100000743459_200025704644 [0,2,0,0,0,0|1,0,1]=4 4212 B12R1.367 CC(N[13CH3])c1ccc(c(c1)F)F 2230a_100000756309_200025704644 [0,2,0,0,0,0|1,0,1]=4 4213 B12R1.367 CC(N[13CH3])c1ccc(c(c1)F)F 34a_100000756309_200025704644 [0,2,0,0,0,0|1,0,1]=4 4214 B12R1.367 CCC(=O)c1ccc(c(c1)Br)Br 1458a_100012339404_100000210202 [0,2,0,0,0,0|1,0,0]=3 4215 B12R1.367 CCC(=O)c1ccc(c(c1)Br)C 1458a_100000186397_100000210202 [0,2,0,0,0,0|1,0,0]=3 4216 B12R1.367 CCC(=O)c1ccc(c(c1)Br)Cl 1458a_100000691181_100000210202 [0,2,0,0,0,0|1,0,0]=3 4217 B12R1.367 CCC(=O)c1ccc(c(c1)Br)F 1458a_100000760357_100000210202 [0,2,0,0,0,0|1,0,0]=3 4218 B12R1.367 CCC(=O)c1ccc(c(c1)Br)I 1458a_100000739115_100000210202 [0,2,0,0,0,0|1,0,0]=3 4219 B12R1.367 CCC(=O)c1ccc(c(c1)Br)O 1458a_100000189672_100000210202 [0,2,0,0,0,0|1,0,0]=3 4220 B12R1.367 CCC(=O)c1ccc(c(c1)C)Br 1458a_100000692631_100000210202 [0,2,0,0,0,0|1,0,0]=3 4221 B12R1.367 CCC(=O)c1ccc(c(c1)C)C 1458a_100000210898_100000210202 [0,2,0,0,0,0|1,0,0]=3 4222 B12R1.367 CCC(=O)c1ccc(c(c1)C)Cl 1458a_100000686306_100000210202 [0,2,0,0,0,0|1,0,0]=3 4223 B12R1.367 CCC(=O)c1ccc(c(c1)C)F 1458a_100000751819_100000210202 [0,2,0,0,0,0|1,0,0]=3 4224 B12R1.367 CCC(=O)c1ccc(c(c1)C)I 1458a_100000751300_100000210202 [0,2,0,0,0,0|1,0,0]=3 4225 B12R1.367 CCC(=O)c1ccc(c(c1)C)O 1458a_100000685612_100000210202 [0,2,0,0,0,0|1,0,0]=3 4226 B12R1.367 CCC(=O)c1ccc(c(c1)C)O 271570a_203496583355_200012349626 [0,2,0,0,0,0|1,0,0]=3 4227 B12R1.367 CCC(=O)c1ccc(c(c1)Cl)Br 1458a_100000687082_100000210202 [0,2,0,0,0,0|1,0,0]=3 4228 B12R1.367 CCC(=O)c1ccc(c(c1)Cl)C 1458a_100000751740_100000210202 [0,2,0,0,0,0|1,0,0]=3 4229 B12R1.367 CCC(=O)c1ccc(c(c1)Cl)Cl 1458a_100000210401_100000210202 [0,2,0,0,0,0|1,0,0]=3 4230 B12R1.367 CCC(=O)c1ccc(c(c1)Cl)F 1458a_100000686462_100000210202 [0,2,0,0,0,0|1,0,0]=3 4231 B12R1.367 CCC(=O)c1ccc(c(c1)Cl)I 1458a_100000684831_100000210202 [0,2,0,0,0,0|1,0,0]=3 4232 B12R1.367 CCC(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_100000210202 [0,2,0,0,0,0|1,0,0]=3 4233 B12R1.367 CCC(=O)c1ccc(c(c1)F)Br 1458a_100000743946_100000210202 [0,2,0,0,0,0|1,0,0]=3 4234 B12R1.367 CCC(=O)c1ccc(c(c1)F)C 1458a_100000212313_100000210202 [0,2,0,0,0,0|1,0,0]=3 4235 B12R1.367 CCC(=O)c1ccc(c(c1)F)Cl 1458a_100000743183_100000210202 [0,2,0,0,0,0|1,0,0]=3 4236 B12R1.367 CCC(=O)c1ccc(c(c1)F)F 1458a_100000209822_100000210202 [0,2,0,0,0,0|1,0,0]=3 4237 B12R1.367 CCC(=O)c1ccc(c(c1)F)I 1458a_100000062624_100000210202 [0,2,0,0,0,0|1,0,0]=3 4238 B12R1.367 CCC(=O)c1ccc(c(c1)F)O 1458a_100000185466_100000210202 [0,2,0,0,0,0|1,0,0]=3 4239 B12R1.367 CCC(=O)c1ccc(c(c1)I)Br 1458a_100012343876_100000210202 [0,2,0,0,0,0|1,0,0]=3 4240 B12R1.367 CCC(=O)c1ccc(c(c1)I)C 1458a_100000751299_100000210202 [0,2,0,0,0,0|1,0,0]=3 4241 B12R1.367 CCC(=O)c1ccc(c(c1)I)Cl 1458a_100000739381_100000210202 [0,2,0,0,0,0|1,0,0]=3 4242 B12R1.367 CCC(=O)c1ccc(c(c1)I)F 1458a_100000688015_100000210202 [0,2,0,0,0,0|1,0,0]=3 4243 B12R1.367 CCC(=O)c1ccc(c(c1)I)I 1458a_100000725830_100000210202 [0,2,0,0,0,0|1,0,0]=3 4244 B12R1.367 CCC(=O)c1ccc(c(c1)I)O 1458a_100000037485_100000210202 [0,2,0,0,0,0|1,0,0]=3 4245 B12R1.367 CCC(=O)c1ccc(c(c1)O)Br 1458a_100000689001_100000210202 [0,2,0,0,0,0|1,0,0]=3 4246 B12R1.367 CCC(=O)c1ccc(c(c1)O)C 1458a_100000233767_100000210202 [0,2,0,0,0,0|1,0,0]=3 4247 B12R1.367 CCC(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_100000210202 [0,2,0,0,0,0|1,0,0]=3 4248 B12R1.367 CCC(=O)c1ccc(c(c1)O)F 1458a_100000035894_100000210202 [0,2,0,0,0,0|1,0,0]=3 4249 B12R1.367 CCC(=O)c1ccc(c(c1)O)F 271570a_203496583355_100011216493 [0,2,0,0,0,0|1,0,0]=3 4250 B12R1.367 CCC(=O)c1ccc(c(c1)O)I 1458a_100000239334_100000210202 [0,2,0,0,0,0|1,0,0]=3 4251 B12R1.367 CCC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000210202 [0,2,0,0,0,0|1,0,0]=3 4252 B12R1.367 CNC(=O)c1ccc(c(c1)Br)Br 11a_106832991635_100012339404 [0,2,0,0,0,0|0,0,0]=2 4253 B12R1.367 CNC(=O)c1ccc(c(c1)Br)Br 1626a_100102657272_100012339404 [0,2,0,0,0,0|0,0,0]=2 4254 B12R1.367 CNC(=O)c1ccc(c(c1)Br)Br 240690a_100102657272_100012339404 [0,2,0,0,0,0|0,0,0]=2 4255 B12R1.367 CNC(=O)c1ccc(c(c1)Br)Br 527a_100102657272_100012339404 [0,2,0,0,0,0|0,0,0]=2 4256 B12R1.367 CNC(=O)c1ccc(c(c1)Br)C 11a_106832991635_100000186397 [0,2,0,0,0,0|0,0,0]=2 4257 B12R1.367 CNC(=O)c1ccc(c(c1)Br)C 1626a_100102657272_100000186397 [0,2,0,0,0,0|0,0,0]=2 4258 B12R1.367 CNC(=O)c1ccc(c(c1)Br)C 240690a_100102657272_100000186397 [0,2,0,0,0,0|0,0,0]=2 4259 B12R1.367 CNC(=O)c1ccc(c(c1)Br)C 527a_100102657272_100000186397 [0,2,0,0,0,0|0,0,0]=2 4260 B12R1.367 CNC(=O)c1ccc(c(c1)Br)Cl 11a_106832991635_100000691181 [0,2,0,0,0,0|0,0,0]=2 4261 B12R1.367 CNC(=O)c1ccc(c(c1)Br)Cl 1626a_100102657272_100000691181 [0,2,0,0,0,0|0,0,0]=2 4262 B12R1.367 CNC(=O)c1ccc(c(c1)Br)Cl 240690a_100102657272_100000691181 [0,2,0,0,0,0|0,0,0]=2 4263 B12R1.367 CNC(=O)c1ccc(c(c1)Br)Cl 527a_100102657272_100000691181 [0,2,0,0,0,0|0,0,0]=2 4264 B12R1.367 CNC(=O)c1ccc(c(c1)Br)F 11a_106832991635_100000760357 [0,2,0,0,0,0|0,0,0]=2 4265 B12R1.367 CNC(=O)c1ccc(c(c1)Br)F 1626a_100102657272_100000760357 [0,2,0,0,0,0|0,0,0]=2 4266 B12R1.367 CNC(=O)c1ccc(c(c1)Br)F 240690a_100102657272_100000760357 [0,2,0,0,0,0|0,0,0]=2 4267 B12R1.367 CNC(=O)c1ccc(c(c1)Br)F 527a_100102657272_100000760357 [0,2,0,0,0,0|0,0,0]=2 4268 B12R1.367 CNC(=O)c1ccc(c(c1)Br)I 11a_106832991635_100000739115 [0,2,0,0,0,0|0,0,0]=2 4269 B12R1.367 CNC(=O)c1ccc(c(c1)Br)I 1626a_100102657272_100000739115 [0,2,0,0,0,0|0,0,0]=2 4270 B12R1.367 CNC(=O)c1ccc(c(c1)Br)I 240690a_100102657272_100000739115 [0,2,0,0,0,0|0,0,0]=2 4271 B12R1.367 CNC(=O)c1ccc(c(c1)Br)I 527a_100102657272_100000739115 [0,2,0,0,0,0|0,0,0]=2 4272 B12R1.367 CNC(=O)c1ccc(c(c1)Br)O 240690a_100102657272_100000189672 [0,2,0,0,0,0|0,0,0]=2 4273 B12R1.367 CNC(=O)c1ccc(c(c1)C)Br 11a_106832991635_100000692631 [0,2,0,0,0,0|0,0,0]=2 4274 B12R1.367 CNC(=O)c1ccc(c(c1)C)Br 1626a_100102657272_100000692631 [0,2,0,0,0,0|0,0,0]=2 4275 B12R1.367 CNC(=O)c1ccc(c(c1)C)Br 240690a_100102657272_100000692631 [0,2,0,0,0,0|0,0,0]=2 4276 B12R1.367 CNC(=O)c1ccc(c(c1)C)Br 527a_100102657272_100000692631 [0,2,0,0,0,0|0,0,0]=2 4277 B12R1.367 CNC(=O)c1ccc(c(c1)C)C 11a_106832991635_100000210898 [0,2,0,0,0,0|0,0,0]=2 4278 B12R1.367 CNC(=O)c1ccc(c(c1)C)C 1626a_100102657272_100000210898 [0,2,0,0,0,0|0,0,0]=2 4279 B12R1.367 CNC(=O)c1ccc(c(c1)C)C 240690a_100102657272_100000210898 [0,2,0,0,0,0|0,0,0]=2 4280 B12R1.367 CNC(=O)c1ccc(c(c1)C)C 527a_100102657272_100000210898 [0,2,0,0,0,0|0,0,0]=2 4281 B12R1.367 CNC(=O)c1ccc(c(c1)C)Cl 11a_106832991635_100000686306 [0,2,0,0,0,0|0,0,0]=2 4282 B12R1.367 CNC(=O)c1ccc(c(c1)C)Cl 1626a_100102657272_100000686306 [0,2,0,0,0,0|0,0,0]=2 4283 B12R1.367 CNC(=O)c1ccc(c(c1)C)Cl 240690a_100102657272_100000686306 [0,2,0,0,0,0|0,0,0]=2 4284 B12R1.367 CNC(=O)c1ccc(c(c1)C)Cl 527a_100102657272_100000686306 [0,2,0,0,0,0|0,0,0]=2 4285 B12R1.367 CNC(=O)c1ccc(c(c1)C)F 11a_106832991635_100000751819 [0,2,0,0,0,0|0,0,0]=2 4286 B12R1.367 CNC(=O)c1ccc(c(c1)C)F 1626a_100102657272_100000751819 [0,2,0,0,0,0|0,0,0]=2 4287 B12R1.367 CNC(=O)c1ccc(c(c1)C)F 240690a_100102657272_100000751819 [0,2,0,0,0,0|0,0,0]=2 4288 B12R1.367 CNC(=O)c1ccc(c(c1)C)F 527a_100102657272_100000751819 [0,2,0,0,0,0|0,0,0]=2 4289 B12R1.367 CNC(=O)c1ccc(c(c1)C)I 11a_106832991635_100000751300 [0,2,0,0,0,0|0,0,0]=2 4290 B12R1.367 CNC(=O)c1ccc(c(c1)C)I 1626a_100102657272_100000751300 [0,2,0,0,0,0|0,0,0]=2 4291 B12R1.367 CNC(=O)c1ccc(c(c1)C)I 240690a_100102657272_100000751300 [0,2,0,0,0,0|0,0,0]=2 4292 B12R1.367 CNC(=O)c1ccc(c(c1)C)I 527a_100102657272_100000751300 [0,2,0,0,0,0|0,0,0]=2 4293 B12R1.367 CNC(=O)c1ccc(c(c1)C)O 240690a_100102657272_100000685612 [0,2,0,0,0,0|0,0,0]=2 4294 B12R1.367 CNC(=O)c1ccc(c(c1)C)O 271570a_203496583355_200013065384 [0,2,0,0,0,0|0,0,0]=2 4295 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)Br 11a_106832991635_100000687082 [0,2,0,0,0,0|0,0,0]=2 4296 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)Br 1626a_100102657272_100000687082 [0,2,0,0,0,0|0,0,0]=2 4297 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)Br 240690a_100102657272_100000687082 [0,2,0,0,0,0|0,0,0]=2 4298 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)Br 527a_100102657272_100000687082 [0,2,0,0,0,0|0,0,0]=2 4299 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)C 11a_106832991635_100000751740 [0,2,0,0,0,0|0,0,0]=2 4300 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)C 1626a_100102657272_100000751740 [0,2,0,0,0,0|0,0,0]=2 4301 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)C 240690a_100102657272_100000751740 [0,2,0,0,0,0|0,0,0]=2 4302 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)C 527a_100102657272_100000751740 [0,2,0,0,0,0|0,0,0]=2 4303 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)Cl 11a_106832991635_100000210401 [0,2,0,0,0,0|0,0,0]=2 4304 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)Cl 1626a_100102657272_100000210401 [0,2,0,0,0,0|0,0,0]=2 4305 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)Cl 240690a_100102657272_100000210401 [0,2,0,0,0,0|0,0,0]=2 4306 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)Cl 527a_100102657272_100000210401 [0,2,0,0,0,0|0,0,0]=2 4307 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)F 11a_106832991635_100000686462 [0,2,0,0,0,0|0,0,0]=2 4308 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)F 1626a_100102657272_100000686462 [0,2,0,0,0,0|0,0,0]=2 4309 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)F 240690a_100102657272_100000686462 [0,2,0,0,0,0|0,0,0]=2 4310 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)F 527a_100102657272_100000686462 [0,2,0,0,0,0|0,0,0]=2 4311 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)I 11a_106832991635_100000684831 [0,2,0,0,0,0|0,0,0]=2 4312 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)I 1626a_100102657272_100000684831 [0,2,0,0,0,0|0,0,0]=2 4313 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)I 240690a_100102657272_100000684831 [0,2,0,0,0,0|0,0,0]=2 4314 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)I 527a_100102657272_100000684831 [0,2,0,0,0,0|0,0,0]=2 4315 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)O 240690a_100102657272_100000212196 [0,2,0,0,0,0|0,0,0]=2 4316 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)O 527a_100102657272_100000212196 [0,2,0,0,0,0|0,0,0]=2 4317 B12R1.367 CNC(=O)c1ccc(c(c1)F)Br 11a_106832991635_100000743946 [0,2,0,0,0,0|0,0,0]=2 4318 B12R1.367 CNC(=O)c1ccc(c(c1)F)Br 1626a_100102657272_100000743946 [0,2,0,0,0,0|0,0,0]=2 4319 B12R1.367 CNC(=O)c1ccc(c(c1)F)Br 240690a_100102657272_100000743946 [0,2,0,0,0,0|0,0,0]=2 4320 B12R1.367 CNC(=O)c1ccc(c(c1)F)Br 527a_100102657272_100000743946 [0,2,0,0,0,0|0,0,0]=2 4321 B12R1.367 CNC(=O)c1ccc(c(c1)F)C 11a_106832991635_100000212313 [0,2,0,0,0,0|0,0,0]=2 4322 B12R1.367 CNC(=O)c1ccc(c(c1)F)C 1626a_100102657272_100000212313 [0,2,0,0,0,0|0,0,0]=2 4323 B12R1.367 CNC(=O)c1ccc(c(c1)F)C 240690a_100102657272_100000212313 [0,2,0,0,0,0|0,0,0]=2 4324 B12R1.367 CNC(=O)c1ccc(c(c1)F)C 527a_100102657272_100000212313 [0,2,0,0,0,0|0,0,0]=2 4325 B12R1.367 CNC(=O)c1ccc(c(c1)F)Cl 11a_106832991635_100000743183 [0,2,0,0,0,0|0,0,0]=2 4326 B12R1.367 CNC(=O)c1ccc(c(c1)F)Cl 1626a_100102657272_100000743183 [0,2,0,0,0,0|0,0,0]=2 4327 B12R1.367 CNC(=O)c1ccc(c(c1)F)Cl 240690a_100102657272_100000743183 [0,2,0,0,0,0|0,0,0]=2 4328 B12R1.367 CNC(=O)c1ccc(c(c1)F)Cl 527a_100102657272_100000743183 [0,2,0,0,0,0|0,0,0]=2 4329 B12R1.367 CNC(=O)c1ccc(c(c1)F)F 11a_106832991635_100000209822 [0,2,0,0,0,0|0,0,0]=2 4330 B12R1.367 CNC(=O)c1ccc(c(c1)F)F 1626a_100102657272_100000209822 [0,2,0,0,0,0|0,0,0]=2 4331 B12R1.367 CNC(=O)c1ccc(c(c1)F)F 240690a_100102657272_100000209822 [0,2,0,0,0,0|0,0,0]=2 4332 B12R1.367 CNC(=O)c1ccc(c(c1)F)F 527a_100102657272_100000209822 [0,2,0,0,0,0|0,0,0]=2 4333 B12R1.367 CNC(=O)c1ccc(c(c1)F)I 11a_106832991635_100000062624 [0,2,0,0,0,0|0,0,0]=2 4334 B12R1.367 CNC(=O)c1ccc(c(c1)F)I 1626a_100102657272_100000062624 [0,2,0,0,0,0|0,0,0]=2 4335 B12R1.367 CNC(=O)c1ccc(c(c1)F)I 240690a_100102657272_100000062624 [0,2,0,0,0,0|0,0,0]=2 4336 B12R1.367 CNC(=O)c1ccc(c(c1)F)I 527a_100102657272_100000062624 [0,2,0,0,0,0|0,0,0]=2 4337 B12R1.367 CNC(=O)c1ccc(c(c1)F)O 240690a_100102657272_100000185466 [0,2,0,0,0,0|0,0,0]=2 4338 B12R1.367 CNC(=O)c1ccc(c(c1)F)O 527a_100102657272_100000185466 [0,2,0,0,0,0|0,0,0]=2 4339 B12R1.367 CNC(=O)c1ccc(c(c1)I)Br 11a_106832991635_100012343876 [0,2,0,0,0,0|0,0,0]=2 4340 B12R1.367 CNC(=O)c1ccc(c(c1)I)Br 1626a_100102657272_100012343876 [0,2,0,0,0,0|0,0,0]=2 4341 B12R1.367 CNC(=O)c1ccc(c(c1)I)Br 240690a_100102657272_100012343876 [0,2,0,0,0,0|0,0,0]=2 4342 B12R1.367 CNC(=O)c1ccc(c(c1)I)Br 527a_100102657272_100012343876 [0,2,0,0,0,0|0,0,0]=2 4343 B12R1.367 CNC(=O)c1ccc(c(c1)I)C 11a_106832991635_100000751299 [0,2,0,0,0,0|0,0,0]=2 4344 B12R1.367 CNC(=O)c1ccc(c(c1)I)C 1626a_100102657272_100000751299 [0,2,0,0,0,0|0,0,0]=2 4345 B12R1.367 CNC(=O)c1ccc(c(c1)I)C 240690a_100102657272_100000751299 [0,2,0,0,0,0|0,0,0]=2 4346 B12R1.367 CNC(=O)c1ccc(c(c1)I)C 527a_100102657272_100000751299 [0,2,0,0,0,0|0,0,0]=2 4347 B12R1.367 CNC(=O)c1ccc(c(c1)I)Cl 11a_106832991635_100000739381 [0,2,0,0,0,0|0,0,0]=2 4348 B12R1.367 CNC(=O)c1ccc(c(c1)I)Cl 1626a_100102657272_100000739381 [0,2,0,0,0,0|0,0,0]=2 4349 B12R1.367 CNC(=O)c1ccc(c(c1)I)Cl 240690a_100102657272_100000739381 [0,2,0,0,0,0|0,0,0]=2 4350 B12R1.367 CNC(=O)c1ccc(c(c1)I)Cl 527a_100102657272_100000739381 [0,2,0,0,0,0|0,0,0]=2 4351 B12R1.367 CNC(=O)c1ccc(c(c1)I)F 11a_106832991635_100000688015 [0,2,0,0,0,0|0,0,0]=2 4352 B12R1.367 CNC(=O)c1ccc(c(c1)I)F 1626a_100102657272_100000688015 [0,2,0,0,0,0|0,0,0]=2 4353 B12R1.367 CNC(=O)c1ccc(c(c1)I)F 240690a_100102657272_100000688015 [0,2,0,0,0,0|0,0,0]=2 4354 B12R1.367 CNC(=O)c1ccc(c(c1)I)F 527a_100102657272_100000688015 [0,2,0,0,0,0|0,0,0]=2 4355 B12R1.367 CNC(=O)c1ccc(c(c1)I)I 11a_106832991635_100000725830 [0,2,0,0,0,0|0,0,0]=2 4356 B12R1.367 CNC(=O)c1ccc(c(c1)I)I 1626a_100102657272_100000725830 [0,2,0,0,0,0|0,0,0]=2 4357 B12R1.367 CNC(=O)c1ccc(c(c1)I)I 240690a_100102657272_100000725830 [0,2,0,0,0,0|0,0,0]=2 4358 B12R1.367 CNC(=O)c1ccc(c(c1)I)I 527a_100102657272_100000725830 [0,2,0,0,0,0|0,0,0]=2 4359 B12R1.367 CNC(=O)c1ccc(c(c1)I)O 1626a_100102657272_100000037485 [0,2,0,0,0,0|0,0,0]=2 4360 B12R1.367 CNC(=O)c1ccc(c(c1)I)O 240690a_100102657272_100000037485 [0,2,0,0,0,0|0,0,0]=2 4361 B12R1.367 CNC(=O)c1ccc(c(c1)O)Br 240690a_100102657272_100000689001 [0,2,0,0,0,0|0,0,0]=2 4362 B12R1.367 CNC(=O)c1ccc(c(c1)O)Br 527a_100102657272_100000689001 [0,2,0,0,0,0|0,0,0]=2 4363 B12R1.367 CNC(=O)c1ccc(c(c1)O)C 240690a_100102657272_100000233767 [0,2,0,0,0,0|0,0,0]=2 4364 B12R1.367 CNC(=O)c1ccc(c(c1)O)Cl 240690a_100102657272_100011933997 [0,2,0,0,0,0|0,0,0]=2 4365 B12R1.367 CNC(=O)c1ccc(c(c1)O)Cl 527a_100102657272_100011933997 [0,2,0,0,0,0|0,0,0]=2 4366 B12R1.367 CNC(=O)c1ccc(c(c1)O)F 240690a_100102657272_100000035894 [0,2,0,0,0,0|0,0,0]=2 4367 B12R1.367 CNC(=O)c1ccc(c(c1)O)F 271570a_203496583355_200012359898 [0,2,0,0,0,0|0,0,0]=2 4368 B12R1.367 CNC(=O)c1ccc(c(c1)O)F 527a_100102657272_100000035894 [0,2,0,0,0,0|0,0,0]=2 4369 B12R1.367 CNC(=O)c1ccc(c(c1)O)I 1626a_100102657272_100000239334 [0,2,0,0,0,0|0,0,0]=2 4370 B12R1.367 CNC(=O)c1ccc(c(c1)O)I 240690a_100102657272_100000239334 [0,2,0,0,0,0|0,0,0]=2 4371 B12R1.367 CNC(=O)c1ccc(c(c1)O)I 527a_100102657272_100000239334 [0,2,0,0,0,0|0,0,0]=2 4372 B12R1.367 CNC(C)c1ccc(c(c1)Br)Br 269862a_106832991636_100009814466 [0,2,0,0,0,0|1,0,1]=4 4373 B12R1.367 CNC(C)c1ccc(c(c1)Br)C 269862a_106832991636_100011934287 [0,2,0,0,0,0|1,0,1]=4 4374 B12R1.367 CNC(C)c1ccc(c(c1)Br)Cl 269862a_106832991636_100012356427 [0,2,0,0,0,0|1,0,1]=4 4375 B12R1.367 CNC(C)c1ccc(c(c1)Br)F 269862a_106832991636_100000239719 [0,2,0,0,0,0|1,0,1]=4 4376 B12R1.367 CNC(C)c1ccc(c(c1)Br)I 269862a_106832991636_100010146554 [0,2,0,0,0,0|1,0,1]=4 4377 B12R1.367 CNC(C)c1ccc(c(c1)Br)O 269862a_106832991636_100011772453 [0,2,0,0,0,0|1,0,1]=4 4378 B12R1.367 CNC(C)c1ccc(c(c1)C)Br 269862a_106832991636_100000697869 [0,2,0,0,0,0|1,0,1]=4 4379 B12R1.367 CNC(C)c1ccc(c(c1)C)C 269862a_106832991636_100000210971 [0,2,0,0,0,0|1,0,1]=4 4380 B12R1.367 CNC(C)c1ccc(c(c1)C)Cl 269862a_106832991636_100011216000 [0,2,0,0,0,0|1,0,1]=4 4381 B12R1.367 CNC(C)c1ccc(c(c1)C)F 2230a_100000705826_200000210301 [0,2,0,0,0,0|1,0,1]=4 4382 B12R1.367 CNC(C)c1ccc(c(c1)C)F 269862a_106832991636_100000754758 [0,2,0,0,0,0|1,0,1]=4 4383 B12R1.367 CNC(C)c1ccc(c(c1)C)F 34a_100000705826_200000210301 [0,2,0,0,0,0|1,0,1]=4 4384 B12R1.367 CNC(C)c1ccc(c(c1)C)O 269862a_106832991636_100000188726 [0,2,0,0,0,0|1,0,1]=4 4385 B12R1.367 CNC(C)c1ccc(c(c1)Cl)Br 269862a_106832991636_100012353846 [0,2,0,0,0,0|1,0,1]=4 4386 B12R1.367 CNC(C)c1ccc(c(c1)Cl)C 2230a_100012005020_200000210301 [0,2,0,0,0,0|1,0,1]=4 4387 B12R1.367 CNC(C)c1ccc(c(c1)Cl)C 269862a_106832991636_100012002458 [0,2,0,0,0,0|1,0,1]=4 4388 B12R1.367 CNC(C)c1ccc(c(c1)Cl)C 34a_100012005020_200000210301 [0,2,0,0,0,0|1,0,1]=4 4389 B12R1.367 CNC(C)c1ccc(c(c1)Cl)Cl 2230a_100000743459_200000210301 [0,2,0,0,0,0|1,0,1]=4 4390 B12R1.367 CNC(C)c1ccc(c(c1)Cl)Cl 269862a_106832991636_100000210641 [0,2,0,0,0,0|1,0,1]=4 4391 B12R1.367 CNC(C)c1ccc(c(c1)Cl)Cl 34a_100000743459_200000210301 [0,2,0,0,0,0|1,0,1]=4 4392 B12R1.367 CNC(C)c1ccc(c(c1)Cl)F 269862a_106832991636_100000737303 [0,2,0,0,0,0|1,0,1]=4 4393 B12R1.367 CNC(C)c1ccc(c(c1)Cl)O 269862a_106832991636_100000188625 [0,2,0,0,0,0|1,0,1]=4 4394 B12R1.367 CNC(C)c1ccc(c(c1)F)Br 269862a_106832991636_100000690002 [0,2,0,0,0,0|1,0,1]=4 4395 B12R1.367 CNC(C)c1ccc(c(c1)F)C 269862a_106832991636_100000767010 [0,2,0,0,0,0|1,0,1]=4 4396 B12R1.367 CNC(C)c1ccc(c(c1)F)Cl 269862a_106832991636_100000693814 [0,2,0,0,0,0|1,0,1]=4 4397 B12R1.367 CNC(C)c1ccc(c(c1)F)F 2230a_100000756309_200000210301 [0,2,0,0,0,0|1,0,1]=4 4398 B12R1.367 CNC(C)c1ccc(c(c1)F)F 269862a_106832991636_100000184692 [0,2,0,0,0,0|1,0,1]=4 4399 B12R1.367 CNC(C)c1ccc(c(c1)F)F 34a_100000756309_200000210301 [0,2,0,0,0,0|1,0,1]=4 4400 B12R1.367 CNC(C)c1ccc(c(c1)F)O 269862a_106832991636_100000751691 [0,2,0,0,0,0|1,0,1]=4 4401 B12R1.367 CNC(C)c1ccc(c(c1)I)Br 269862a_106832991636_100010146556 [0,2,0,0,0,0|1,0,1]=4 4402 B12R1.367 CNC(C)c1ccc(c(c1)O)C 269862a_106832991636_100000084092 [0,2,0,0,0,0|1,0,1]=4 4403 B12R1.367 CNC(C)c1ccc(c(c1)O)F 269862a_106832991636_100000117923 [0,2,0,0,0,0|1,0,1]=4 4404 B12R1.367 CN[C@@H](C)c1ccc(c(c1)Br)F 2230a_100000753309_200000210301 [0,2,0,0,0,0|1,0,1]=4 4405 B12R1.367 CN[C@@H](C)c1ccc(c(c1)Br)F 34a_100000753309_200000210301 [0,2,0,0,0,0|1,0,1]=4 4406 B12R1.367 CN[C@@H](C)c1ccc(c(c1)F)Br 2230a_100134618348_200000210301 [0,2,0,0,0,0|1,0,1]=4 4407 B12R1.367 CN[C@@H](C)c1ccc(c(c1)F)Br 34a_100134618348_200000210301 [0,2,0,0,0,0|1,0,1]=4 4408 B12R1.367 CN[C@@H](C)c1ccc(c(c1)F)C 2230a_100011997884_200000210301 [0,2,0,0,0,0|1,0,1]=4 4409 B12R1.367 CN[C@@H](C)c1ccc(c(c1)F)C 34a_100011997884_200000210301 [0,2,0,0,0,0|1,0,1]=4 4410 B12R1.367 CN[C@H](C)c1ccc(c(c1)C)C 2230a_100015184928_200000210301 [0,2,0,0,0,0|1,0,1]=4 4411 B12R1.367 CN[C@H](C)c1ccc(c(c1)C)C 34a_100015184928_200000210301 [0,2,0,0,0,0|1,0,1]=4 4412 B12R1.367 CN[C@H](C)c1ccc(c(c1)Cl)F 2230a_100016987892_200000210301 [0,2,0,0,0,0|1,0,1]=4 4413 B12R1.367 CN[C@H](C)c1ccc(c(c1)Cl)F 34a_100016987892_200000210301 [0,2,0,0,0,0|1,0,1]=4 4414 B12R1.367 CN[C@H](C)c1ccc(c(c1)F)Cl 2230a_100016987903_200000210301 [0,2,0,0,0,0|1,0,1]=4 4415 B12R1.367 CN[C@H](C)c1ccc(c(c1)F)Cl 34a_100016987903_200000210301 [0,2,0,0,0,0|1,0,1]=4 4416 B12R1.367 COC(=O)c1cc(c(cn1)C)O 271570a_203496583355_100000065005 [0,2,0,0,0,0|2,0,0]=4 4417 B12R1.367 COC(=O)c1cc(c(cn1)O)C 271570a_203496583355_100010080863 [0,2,0,0,0,0|2,0,0]=4 4418 B12R1.367 COC(=O)c1cc(c(cn1)O)N 271570a_203496583355_100016001589 [0,2,0,0,0,0|2,0,0]=4 4419 B12R1.367 COC(=O)c1ccc(c(c1)Br)O 271570a_203496583355_100011294788 [0,2,0,0,0,0|1,0,0]=3 4420 B12R1.367 COC(=O)c1ccc(c(c1)C)O 271570a_203496583355_100011215878 [0,2,0,0,0,0|1,0,0]=3 4421 B12R1.367 COC(=O)c1ccc(c(c1)Cl)O 271570a_203496583355_100012356344 [0,2,0,0,0,0|1,0,0]=3 4422 B12R1.367 COC(=O)c1ccc(c(c1)F)O 271570a_203496583355_100000703229 [0,2,0,0,0,0|1,0,0]=3 4423 B12R1.367 COC(=O)c1ccc(c(c1)N)O 271570a_203496583355_100011450966 [0,2,0,0,0,0|1,0,0]=3 4424 B12R1.367 COC(=O)c1ccc(c(c1)O)Br 271570a_203496583355_100012349818 [0,2,0,0,0,0|1,0,0]=3 4425 B12R1.367 COC(=O)c1ccc(c(c1)O)C 271570a_203496583355_100011218856 [0,2,0,0,0,0|1,0,0]=3 4426 B12R1.367 COC(=O)c1ccc(c(c1)O)Cl 271570a_203496583355_100011294800 [0,2,0,0,0,0|1,0,0]=3 4427 B12R1.367 COC(=O)c1ccc(c(c1)O)F 271570a_203496583355_100000722584 [0,2,0,0,0,0|1,0,0]=3 4428 B12R1.367 COC(=O)c1ccc(c(c1)O)N 271570a_203496583355_100000187552 [0,2,0,0,0,0|1,0,0]=3 4429 B12R1.367 COC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100000216328 [0,2,0,0,0,0|1,0,0]=3 4430 B12R1.367 COC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100012350776 [0,2,0,0,0,0|1,0,0]=3 4431 B12R1.367 COC(=O)c1ccc(c(n1)C)O 271570a_203496583355_100010207261 [0,2,0,0,0,0|2,0,0]=4 4432 B12R1.367 COC(=O)c1ccc(c(n1)F)O 271570a_203496583355_100010189630 [0,2,0,0,0,0|2,0,0]=4 4433 B12R1.367 COC(=O)c1ccc(c(n1)N)O 271570a_203496583355_100010187631 [0,2,0,0,0,0|2,0,0]=4 4434 B12R1.367 COC(=O)c1ccc(c(n1)O)C 271570a_203496583355_100010143800 [0,2,0,0,0,0|2,0,0]=4 4435 B12R1.367 COC(=O)c1ccc(c(n1)O)F 271570a_203496583355_100010189626 [0,2,0,0,0,0|2,0,0]=4 4436 B12R1.367 COC(=O)c1ccc(c(n1)O)O 271570a_203496583355_100010189637 [0,2,0,0,0,0|2,0,0]=4 4437 B12R1.367 COC(=O)c1ccc(c(n1)O)O 271570a_203496583355_200009815348 [0,2,0,0,0,0|2,0,0]=4 4438 B12R1.367 COC(=O)c1cnc(c(c1)Br)O 271570a_203496583355_100010114297 [0,2,0,0,0,0|2,0,0]=4 4439 B12R1.367 COC(=O)c1cnc(c(c1)C)O 271570a_203496583355_100009862495 [0,2,0,0,0,0|2,0,0]=4 4440 B12R1.367 COC(=O)c1cnc(c(c1)F)O 271570a_203496583355_100010189625 [0,2,0,0,0,0|2,0,0]=4 4441 B12R1.367 COC(=O)c1cnc(c(c1)N)O 271570a_203496583355_100000079130 [0,2,0,0,0,0|2,0,0]=4 4442 B12R1.367 COC(=O)c1cnc(c(c1)O)Cl 271570a_203496583355_100010188758 [0,2,0,0,0,0|2,0,0]=4 4443 B12R1.367 COC(=O)c1cnc(c(c1)O)F 271570a_203496583355_100000117919 [0,2,0,0,0,0|2,0,0]=4 4444 B12R1.367 COC(=O)c1cnc(c(c1)O)N 271570a_203496583355_100009816800 [0,2,0,0,0,0|2,0,0]=4 4445 B12R1.367 COC(=O)c1cnc(c(c1)O)O 271570a_203496583355_100010109663 [0,2,0,0,0,0|2,0,0]=4 4446 B12R1.367 COC(=O)c1cnc(c(c1)O)O 271570a_203496583355_100010999399 [0,2,0,0,0,0|2,0,0]=4 4447 B12R1.367 COC(=O)c1coc(=O)c(c1)O 271570a_203496583355_100009812866 [0,2,0,0,0,0|2,0,0]=4 4448 B12R1.367 C[C@@H](N[13CH3])c1ccc(c(c1)Cl)F 2230a_100016987892_200025704644 [0,2,0,0,0,0|1,0,1]=4 4449 B12R1.367 C[C@@H](N[13CH3])c1ccc(c(c1)Cl)F 34a_100016987892_200025704644 [0,2,0,0,0,0|1,0,1]=4 4450 B12R1.367 C[C@@H](N[13CH3])c1ccc(c(c1)F)Cl 2230a_100016987903_200025704644 [0,2,0,0,0,0|1,0,1]=4 4451 B12R1.367 C[C@@H](N[13CH3])c1ccc(c(c1)F)Cl 34a_100016987903_200025704644 [0,2,0,0,0,0|1,0,1]=4 4452 B12R1.367 C[C@H](N[13CH3])c1ccc(c(c1)Br)F 2230a_100000753309_200025704644 [0,2,0,0,0,0|1,0,1]=4 4453 B12R1.367 C[C@H](N[13CH3])c1ccc(c(c1)Br)F 34a_100000753309_200025704644 [0,2,0,0,0,0|1,0,1]=4 4454 B12R1.367 C[C@H](N[13CH3])c1ccc(c(c1)F)Br 2230a_100134618348_200025704644 [0,2,0,0,0,0|1,0,1]=4 4455 B12R1.367 C[C@H](N[13CH3])c1ccc(c(c1)F)Br 34a_100134618348_200025704644 [0,2,0,0,0,0|1,0,1]=4 4456 B12R1.367 Cc1cc(ccc1Br)C(=O)CF 1458a_100000692631_100015361967 [0,2,0,0,0,0|2,0,0]=4 4457 B12R1.367 Cc1cc(ccc1Cl)C(=O)CF 1458a_100000686306_100015361967 [0,2,0,0,0,0|2,0,0]=4 4458 B12R1.367 Cc1cc(ccc1F)C(=O)CF 1458a_100000751819_100015361967 [0,2,0,0,0,0|2,0,0]=4 4459 B12R1.367 Cc1cc(ccc1F)C(C)N[13CH3] 2230a_100000705826_200025704644 [0,2,0,0,0,0|1,0,1]=4 4460 B12R1.367 Cc1cc(ccc1F)C(C)N[13CH3] 34a_100000705826_200025704644 [0,2,0,0,0,0|1,0,1]=4 4461 B12R1.367 Cc1cc(ccc1I)C(=O)CF 1458a_100000751300_100015361967 [0,2,0,0,0,0|2,0,0]=4 4462 B12R1.367 Cc1cc(ccc1O)C(=O)CF 1458a_100000685612_100015361967 [0,2,0,0,0,0|2,0,0]=4 4463 B12R1.367 Cc1cc(ccc1O)C(=O)NN 271570a_203496583355_100012339724 [0,2,0,0,0,0|1,0,0]=3 4464 B12R1.367 Cc1ccc(cc1Br)C(=O)CF 1458a_100000186397_100015361967 [0,2,0,0,0,0|2,0,0]=4 4465 B12R1.367 Cc1ccc(cc1C)C(=O)CF 1458a_100000210898_100015361967 [0,2,0,0,0,0|2,0,0]=4 4466 B12R1.367 Cc1ccc(cc1C)[C@@H](C)N[13CH3] 2230a_100015184928_200025704644 [0,2,0,0,0,0|1,0,1]=4 4467 B12R1.367 Cc1ccc(cc1C)[C@@H](C)N[13CH3] 34a_100015184928_200025704644 [0,2,0,0,0,0|1,0,1]=4 4468 B12R1.367 Cc1ccc(cc1Cl)C(=O)CF 1458a_100000751740_100015361967 [0,2,0,0,0,0|2,0,0]=4 4469 B12R1.367 Cc1ccc(cc1Cl)C(C)N[13CH3] 2230a_100012005020_200025704644 [0,2,0,0,0,0|1,0,1]=4 4470 B12R1.367 Cc1ccc(cc1Cl)C(C)N[13CH3] 34a_100012005020_200025704644 [0,2,0,0,0,0|1,0,1]=4 4471 B12R1.367 Cc1ccc(cc1F)C(=O)CF 1458a_100000212313_100015361967 [0,2,0,0,0,0|2,0,0]=4 4472 B12R1.367 Cc1ccc(cc1F)[C@H](C)N[13CH3] 2230a_100011997884_200025704644 [0,2,0,0,0,0|1,0,1]=4 4473 B12R1.367 Cc1ccc(cc1F)[C@H](C)N[13CH3] 34a_100011997884_200025704644 [0,2,0,0,0,0|1,0,1]=4 4474 B12R1.367 Cc1ccc(cc1I)C(=O)CF 1458a_100000751299_100015361967 [0,2,0,0,0,0|2,0,0]=4 4475 B12R1.367 Cc1ccc(cc1O)C(=O)CF 1458a_100000233767_100015361967 [0,2,0,0,0,0|2,0,0]=4 4476 B12R1.367 Cc1ccc(cc1O)C(=O)NN 271570a_203496583355_100000188075 [0,2,0,0,0,0|1,0,0]=3 4477 B12R1.367 NCC(=O)c1ccc(c(c1)F)O 271570a_203496583355_100016989600 [0,2,0,0,0,0|2,0,0]=4 4478 B12R1.367 NNC(=O)c1ccc(c(c1)O)Cl 271570a_203496583355_100000046573 [0,2,0,0,0,0|1,0,0]=3 4479 B12R1.367 O=C(CF)c1ccc(c(c1)Br)Br 1458a_100012339404_100015361967 [0,2,0,0,0,0|2,0,0]=4 4480 B12R1.367 O=C(CF)c1ccc(c(c1)Br)Cl 1458a_100000691181_100015361967 [0,2,0,0,0,0|2,0,0]=4 4481 B12R1.367 O=C(CF)c1ccc(c(c1)Br)F 1458a_100000760357_100015361967 [0,2,0,0,0,0|2,0,0]=4 4482 B12R1.367 O=C(CF)c1ccc(c(c1)Br)I 1458a_100000739115_100015361967 [0,2,0,0,0,0|2,0,0]=4 4483 B12R1.367 O=C(CF)c1ccc(c(c1)Br)O 1458a_100000189672_100015361967 [0,2,0,0,0,0|2,0,0]=4 4484 B12R1.367 O=C(CF)c1ccc(c(c1)Cl)Br 1458a_100000687082_100015361967 [0,2,0,0,0,0|2,0,0]=4 4485 B12R1.367 O=C(CF)c1ccc(c(c1)Cl)Cl 1458a_100000210401_100015361967 [0,2,0,0,0,0|2,0,0]=4 4486 B12R1.367 O=C(CF)c1ccc(c(c1)Cl)F 1458a_100000686462_100015361967 [0,2,0,0,0,0|2,0,0]=4 4487 B12R1.367 O=C(CF)c1ccc(c(c1)Cl)I 1458a_100000684831_100015361967 [0,2,0,0,0,0|2,0,0]=4 4488 B12R1.367 O=C(CF)c1ccc(c(c1)Cl)O 1458a_100000212196_100015361967 [0,2,0,0,0,0|2,0,0]=4 4489 B12R1.367 O=C(CF)c1ccc(c(c1)F)Br 1458a_100000743946_100015361967 [0,2,0,0,0,0|2,0,0]=4 4490 B12R1.367 O=C(CF)c1ccc(c(c1)F)Cl 1458a_100000743183_100015361967 [0,2,0,0,0,0|2,0,0]=4 4491 B12R1.367 O=C(CF)c1ccc(c(c1)F)F 1458a_100000209822_100015361967 [0,2,0,0,0,0|2,0,0]=4 4492 B12R1.367 O=C(CF)c1ccc(c(c1)F)I 1458a_100000062624_100015361967 [0,2,0,0,0,0|2,0,0]=4 4493 B12R1.367 O=C(CF)c1ccc(c(c1)F)O 1458a_100000185466_100015361967 [0,2,0,0,0,0|2,0,0]=4 4494 B12R1.367 O=C(CF)c1ccc(c(c1)I)Br 1458a_100012343876_100015361967 [0,2,0,0,0,0|2,0,0]=4 4495 B12R1.367 O=C(CF)c1ccc(c(c1)I)Cl 1458a_100000739381_100015361967 [0,2,0,0,0,0|2,0,0]=4 4496 B12R1.367 O=C(CF)c1ccc(c(c1)I)F 1458a_100000688015_100015361967 [0,2,0,0,0,0|2,0,0]=4 4497 B12R1.367 O=C(CF)c1ccc(c(c1)I)I 1458a_100000725830_100015361967 [0,2,0,0,0,0|2,0,0]=4 4498 B12R1.367 O=C(CF)c1ccc(c(c1)I)O 1458a_100000037485_100015361967 [0,2,0,0,0,0|2,0,0]=4 4499 B12R1.367 O=C(CF)c1ccc(c(c1)O)Br 1458a_100000689001_100015361967 [0,2,0,0,0,0|2,0,0]=4 4500 B12R1.367 O=C(CF)c1ccc(c(c1)O)Cl 1458a_100011933997_100015361967 [0,2,0,0,0,0|2,0,0]=4 4501 B12R1.367 O=C(CF)c1ccc(c(c1)O)F 1458a_100000035894_100015361967 [0,2,0,0,0,0|2,0,0]=4 4502 B12R1.367 O=C(CF)c1ccc(c(c1)O)I 1458a_100000239334_100015361967 [0,2,0,0,0,0|2,0,0]=4 4503 B12R1.367 O=C(CF)c1ccc(c(c1)O)O 1458a_100000212155_100015361967 [0,2,0,0,0,0|2,0,0]=4 4504 B12R1.1703 CC(N[13CH3])c1ccc(cc1Cl)Cl 2230a_100000179772_200025704644 [0,2,0,0,0,0|1,0,1]=4 4505 B12R1.1703 CC(N[13CH3])c1ccc(cc1Cl)Cl 34a_100000179772_200025704644 [0,2,0,0,0,0|1,0,1]=4 4506 B12R1.1703 CC(N[13CH3])c1ccc(cc1F)Br 2230a_100000730447_200025704644 [0,2,0,0,0,0|1,0,1]=4 4507 B12R1.1703 CC(N[13CH3])c1ccc(cc1F)Br 34a_100000730447_200025704644 [0,2,0,0,0,0|1,0,1]=4 4508 B12R1.1703 CC(N[13CH3])c1ccc(cc1F)F 2230a_100000181410_200025704644 [0,2,0,0,0,0|1,0,1]=4 4509 B12R1.1703 CC(N[13CH3])c1ccc(cc1F)F 34a_100000181410_200025704644 [0,2,0,0,0,0|1,0,1]=4 4510 B12R1.1703 CCC(=O)c1ccc(cc1Br)Br 1458a_100000762965_100000210202 [0,2,0,0,0,0|1,0,0]=3 4511 B12R1.1703 CCC(=O)c1ccc(cc1Br)C 1458a_100000685072_100000210202 [0,2,0,0,0,0|1,0,0]=3 4512 B12R1.1703 CCC(=O)c1ccc(cc1Br)Cl 1458a_100000766353_100000210202 [0,2,0,0,0,0|1,0,0]=3 4513 B12R1.1703 CCC(=O)c1ccc(cc1Br)F 1458a_100000212304_100000210202 [0,2,0,0,0,0|1,0,0]=3 4514 B12R1.1703 CCC(=O)c1ccc(cc1Br)I 1458a_100012360512_100000210202 [0,2,0,0,0,0|1,0,0]=3 4515 B12R1.1703 CCC(=O)c1ccc(cc1Br)O 1458a_100012344906_100000210202 [0,2,0,0,0,0|1,0,0]=3 4516 B12R1.1703 CCC(=O)c1ccc(cc1C)Br 1458a_100000741311_100000210202 [0,2,0,0,0,0|1,0,0]=3 4517 B12R1.1703 CCC(=O)c1ccc(cc1C)C 1458a_100000211164_100000210202 [0,2,0,0,0,0|1,0,0]=3 4518 B12R1.1703 CCC(=O)c1ccc(cc1C)Cl 1458a_100000688705_100000210202 [0,2,0,0,0,0|1,0,0]=3 4519 B12R1.1703 CCC(=O)c1ccc(cc1C)F 1458a_100000686989_100000210202 [0,2,0,0,0,0|1,0,0]=3 4520 B12R1.1703 CCC(=O)c1ccc(cc1C)I 1458a_100010189873_100000210202 [0,2,0,0,0,0|1,0,0]=3 4521 B12R1.1703 CCC(=O)c1ccc(cc1C)O 1458a_100000692822_100000210202 [0,2,0,0,0,0|1,0,0]=3 4522 B12R1.1703 CCC(=O)c1ccc(cc1C)O 271570a_203496583355_200012361375 [0,2,0,0,0,0|1,0,0]=3 4523 B12R1.1703 CCC(=O)c1ccc(cc1Cl)Br 1458a_100000741628_100000210202 [0,2,0,0,0,0|1,0,0]=3 4524 B12R1.1703 CCC(=O)c1ccc(cc1Cl)C 1458a_100000766932_100000210202 [0,2,0,0,0,0|1,0,0]=3 4525 B12R1.1703 CCC(=O)c1ccc(cc1Cl)Cl 1458a_100000185840_100000210202 [0,2,0,0,0,0|1,0,0]=3 4526 B12R1.1703 CCC(=O)c1ccc(cc1Cl)F 1458a_100000211397_100000210202 [0,2,0,0,0,0|1,0,0]=3 4527 B12R1.1703 CCC(=O)c1ccc(cc1Cl)I 1458a_100000751301_100000210202 [0,2,0,0,0,0|1,0,0]=3 4528 B12R1.1703 CCC(=O)c1ccc(cc1Cl)O 1458a_100000702456_100000210202 [0,2,0,0,0,0|1,0,0]=3 4529 B12R1.1703 CCC(=O)c1ccc(cc1F)Br 1458a_100000214689_100000210202 [0,2,0,0,0,0|1,0,0]=3 4530 B12R1.1703 CCC(=O)c1ccc(cc1F)C 1458a_100000766033_100000210202 [0,2,0,0,0,0|1,0,0]=3 4531 B12R1.1703 CCC(=O)c1ccc(cc1F)Cl 1458a_100000212326_100000210202 [0,2,0,0,0,0|1,0,0]=3 4532 B12R1.1703 CCC(=O)c1ccc(cc1F)F 1458a_100000211022_100000210202 [0,2,0,0,0,0|1,0,0]=3 4533 B12R1.1703 CCC(=O)c1ccc(cc1F)I 1458a_100000037189_100000210202 [0,2,0,0,0,0|1,0,0]=3 4534 B12R1.1703 CCC(=O)c1ccc(cc1F)O 1458a_100000689029_100000210202 [0,2,0,0,0,0|1,0,0]=3 4535 B12R1.1703 CCC(=O)c1ccc(cc1F)O 271570a_203496583355_100012360378 [0,2,0,0,0,0|1,0,0]=3 4536 B12R1.1703 CCC(=O)c1ccc(cc1I)Br 1458a_100000751167_100000210202 [0,2,0,0,0,0|1,0,0]=3 4537 B12R1.1703 CCC(=O)c1ccc(cc1I)C 1458a_100009999607_100000210202 [0,2,0,0,0,0|1,0,0]=3 4538 B12R1.1703 CCC(=O)c1ccc(cc1I)Cl 1458a_100000739380_100000210202 [0,2,0,0,0,0|1,0,0]=3 4539 B12R1.1703 CCC(=O)c1ccc(cc1I)F 1458a_100000739341_100000210202 [0,2,0,0,0,0|1,0,0]=3 4540 B12R1.1703 CCC(=O)c1ccc(cc1O)Br 1458a_100000744433_100000210202 [0,2,0,0,0,0|1,0,0]=3 4541 B12R1.1703 CCC(=O)c1ccc(cc1O)C 1458a_100000212137_100000210202 [0,2,0,0,0,0|1,0,0]=3 4542 B12R1.1703 CCC(=O)c1ccc(cc1O)C 271570a_203496583355_200012349623 [0,2,0,0,0,0|1,0,0]=3 4543 B12R1.1703 CCC(=O)c1ccc(cc1O)Cl 1458a_100000188622_100000210202 [0,2,0,0,0,0|1,0,0]=3 4544 B12R1.1703 CCC(=O)c1ccc(cc1O)F 1458a_100000746061_100000210202 [0,2,0,0,0,0|1,0,0]=3 4545 B12R1.1703 CCC(=O)c1ccc(cc1O)I 1458a_100000091984_100000210202 [0,2,0,0,0,0|1,0,0]=3 4546 B12R1.1703 CCC(=O)c1ccc(cc1O)O 1458a_100000212172_100000210202 [0,2,0,0,0,0|1,0,0]=3 4547 B12R1.1703 CNC(=O)c1ccc(cc1Br)Br 11a_106832991635_100000762965 [0,2,0,0,0,0|0,0,0]=2 4548 B12R1.1703 CNC(=O)c1ccc(cc1Br)Br 1626a_100102657272_100000762965 [0,2,0,0,0,0|0,0,0]=2 4549 B12R1.1703 CNC(=O)c1ccc(cc1Br)Br 240690a_100102657272_100000762965 [0,2,0,0,0,0|0,0,0]=2 4550 B12R1.1703 CNC(=O)c1ccc(cc1Br)Br 527a_100102657272_100000762965 [0,2,0,0,0,0|0,0,0]=2 4551 B12R1.1703 CNC(=O)c1ccc(cc1Br)C 11a_106832991635_100000685072 [0,2,0,0,0,0|0,0,0]=2 4552 B12R1.1703 CNC(=O)c1ccc(cc1Br)C 1626a_100102657272_100000685072 [0,2,0,0,0,0|0,0,0]=2 4553 B12R1.1703 CNC(=O)c1ccc(cc1Br)C 240690a_100102657272_100000685072 [0,2,0,0,0,0|0,0,0]=2 4554 B12R1.1703 CNC(=O)c1ccc(cc1Br)C 527a_100102657272_100000685072 [0,2,0,0,0,0|0,0,0]=2 4555 B12R1.1703 CNC(=O)c1ccc(cc1Br)Cl 11a_106832991635_100000766353 [0,2,0,0,0,0|0,0,0]=2 4556 B12R1.1703 CNC(=O)c1ccc(cc1Br)Cl 1626a_100102657272_100000766353 [0,2,0,0,0,0|0,0,0]=2 4557 B12R1.1703 CNC(=O)c1ccc(cc1Br)Cl 240690a_100102657272_100000766353 [0,2,0,0,0,0|0,0,0]=2 4558 B12R1.1703 CNC(=O)c1ccc(cc1Br)Cl 527a_100102657272_100000766353 [0,2,0,0,0,0|0,0,0]=2 4559 B12R1.1703 CNC(=O)c1ccc(cc1Br)F 11a_106832991635_100000212304 [0,2,0,0,0,0|0,0,0]=2 4560 B12R1.1703 CNC(=O)c1ccc(cc1Br)F 1626a_100102657272_100000212304 [0,2,0,0,0,0|0,0,0]=2 4561 B12R1.1703 CNC(=O)c1ccc(cc1Br)F 240690a_100102657272_100000212304 [0,2,0,0,0,0|0,0,0]=2 4562 B12R1.1703 CNC(=O)c1ccc(cc1Br)F 527a_100102657272_100000212304 [0,2,0,0,0,0|0,0,0]=2 4563 B12R1.1703 CNC(=O)c1ccc(cc1Br)I 11a_106832991635_100012360512 [0,2,0,0,0,0|0,0,0]=2 4564 B12R1.1703 CNC(=O)c1ccc(cc1Br)I 1626a_100102657272_100012360512 [0,2,0,0,0,0|0,0,0]=2 4565 B12R1.1703 CNC(=O)c1ccc(cc1Br)I 240690a_100102657272_100012360512 [0,2,0,0,0,0|0,0,0]=2 4566 B12R1.1703 CNC(=O)c1ccc(cc1Br)I 527a_100102657272_100012360512 [0,2,0,0,0,0|0,0,0]=2 4567 B12R1.1703 CNC(=O)c1ccc(cc1Br)O 240690a_100102657272_100012344906 [0,2,0,0,0,0|0,0,0]=2 4568 B12R1.1703 CNC(=O)c1ccc(cc1Br)O 527a_100102657272_100012344906 [0,2,0,0,0,0|0,0,0]=2 4569 B12R1.1703 CNC(=O)c1ccc(cc1C)Br 11a_106832991635_100000741311 [0,2,0,0,0,0|0,0,0]=2 4570 B12R1.1703 CNC(=O)c1ccc(cc1C)Br 1626a_100102657272_100000741311 [0,2,0,0,0,0|0,0,0]=2 4571 B12R1.1703 CNC(=O)c1ccc(cc1C)Br 240690a_100102657272_100000741311 [0,2,0,0,0,0|0,0,0]=2 4572 B12R1.1703 CNC(=O)c1ccc(cc1C)Br 527a_100102657272_100000741311 [0,2,0,0,0,0|0,0,0]=2 4573 B12R1.1703 CNC(=O)c1ccc(cc1C)C 11a_106832991635_100000211164 [0,2,0,0,0,0|0,0,0]=2 4574 B12R1.1703 CNC(=O)c1ccc(cc1C)C 1626a_100102657272_100000211164 [0,2,0,0,0,0|0,0,0]=2 4575 B12R1.1703 CNC(=O)c1ccc(cc1C)C 240690a_100102657272_100000211164 [0,2,0,0,0,0|0,0,0]=2 4576 B12R1.1703 CNC(=O)c1ccc(cc1C)C 527a_100102657272_100000211164 [0,2,0,0,0,0|0,0,0]=2 4577 B12R1.1703 CNC(=O)c1ccc(cc1C)Cl 11a_106832991635_100000688705 [0,2,0,0,0,0|0,0,0]=2 4578 B12R1.1703 CNC(=O)c1ccc(cc1C)Cl 1626a_100102657272_100000688705 [0,2,0,0,0,0|0,0,0]=2 4579 B12R1.1703 CNC(=O)c1ccc(cc1C)Cl 240690a_100102657272_100000688705 [0,2,0,0,0,0|0,0,0]=2 4580 B12R1.1703 CNC(=O)c1ccc(cc1C)Cl 527a_100102657272_100000688705 [0,2,0,0,0,0|0,0,0]=2 4581 B12R1.1703 CNC(=O)c1ccc(cc1C)F 11a_106832991635_100000686989 [0,2,0,0,0,0|0,0,0]=2 4582 B12R1.1703 CNC(=O)c1ccc(cc1C)F 1626a_100102657272_100000686989 [0,2,0,0,0,0|0,0,0]=2 4583 B12R1.1703 CNC(=O)c1ccc(cc1C)F 240690a_100102657272_100000686989 [0,2,0,0,0,0|0,0,0]=2 4584 B12R1.1703 CNC(=O)c1ccc(cc1C)F 527a_100102657272_100000686989 [0,2,0,0,0,0|0,0,0]=2 4585 B12R1.1703 CNC(=O)c1ccc(cc1C)I 11a_106832991635_100010189873 [0,2,0,0,0,0|0,0,0]=2 4586 B12R1.1703 CNC(=O)c1ccc(cc1C)I 1626a_100102657272_100010189873 [0,2,0,0,0,0|0,0,0]=2 4587 B12R1.1703 CNC(=O)c1ccc(cc1C)I 240690a_100102657272_100010189873 [0,2,0,0,0,0|0,0,0]=2 4588 B12R1.1703 CNC(=O)c1ccc(cc1C)I 527a_100102657272_100010189873 [0,2,0,0,0,0|0,0,0]=2 4589 B12R1.1703 CNC(=O)c1ccc(cc1C)O 240690a_100102657272_100000692822 [0,2,0,0,0,0|0,0,0]=2 4590 B12R1.1703 CNC(=O)c1ccc(cc1C)O 527a_100102657272_100000692822 [0,2,0,0,0,0|0,0,0]=2 4591 B12R1.1703 CNC(=O)c1ccc(cc1Cl)Br 11a_106832991635_100000741628 [0,2,0,0,0,0|0,0,0]=2 4592 B12R1.1703 CNC(=O)c1ccc(cc1Cl)Br 1626a_100102657272_100000741628 [0,2,0,0,0,0|0,0,0]=2 4593 B12R1.1703 CNC(=O)c1ccc(cc1Cl)Br 240690a_100102657272_100000741628 [0,2,0,0,0,0|0,0,0]=2 4594 B12R1.1703 CNC(=O)c1ccc(cc1Cl)Br 527a_100102657272_100000741628 [0,2,0,0,0,0|0,0,0]=2 4595 B12R1.1703 CNC(=O)c1ccc(cc1Cl)C 11a_106832991635_100000766932 [0,2,0,0,0,0|0,0,0]=2 4596 B12R1.1703 CNC(=O)c1ccc(cc1Cl)C 1626a_100102657272_100000766932 [0,2,0,0,0,0|0,0,0]=2 4597 B12R1.1703 CNC(=O)c1ccc(cc1Cl)C 240690a_100102657272_100000766932 [0,2,0,0,0,0|0,0,0]=2 4598 B12R1.1703 CNC(=O)c1ccc(cc1Cl)C 527a_100102657272_100000766932 [0,2,0,0,0,0|0,0,0]=2 4599 B12R1.1703 CNC(=O)c1ccc(cc1Cl)Cl 11a_106832991635_100000185840 [0,2,0,0,0,0|0,0,0]=2 4600 B12R1.1703 CNC(=O)c1ccc(cc1Cl)Cl 1626a_100102657272_100000185840 [0,2,0,0,0,0|0,0,0]=2 4601 B12R1.1703 CNC(=O)c1ccc(cc1Cl)Cl 240690a_100102657272_100000185840 [0,2,0,0,0,0|0,0,0]=2 4602 B12R1.1703 CNC(=O)c1ccc(cc1Cl)Cl 527a_100102657272_100000185840 [0,2,0,0,0,0|0,0,0]=2 4603 B12R1.1703 CNC(=O)c1ccc(cc1Cl)F 11a_106832991635_100000211397 [0,2,0,0,0,0|0,0,0]=2 4604 B12R1.1703 CNC(=O)c1ccc(cc1Cl)F 1626a_100102657272_100000211397 [0,2,0,0,0,0|0,0,0]=2 4605 B12R1.1703 CNC(=O)c1ccc(cc1Cl)F 240690a_100102657272_100000211397 [0,2,0,0,0,0|0,0,0]=2 4606 B12R1.1703 CNC(=O)c1ccc(cc1Cl)F 527a_100102657272_100000211397 [0,2,0,0,0,0|0,0,0]=2 4607 B12R1.1703 CNC(=O)c1ccc(cc1Cl)I 11a_106832991635_100000751301 [0,2,0,0,0,0|0,0,0]=2 4608 B12R1.1703 CNC(=O)c1ccc(cc1Cl)I 1626a_100102657272_100000751301 [0,2,0,0,0,0|0,0,0]=2 4609 B12R1.1703 CNC(=O)c1ccc(cc1Cl)I 240690a_100102657272_100000751301 [0,2,0,0,0,0|0,0,0]=2 4610 B12R1.1703 CNC(=O)c1ccc(cc1Cl)I 527a_100102657272_100000751301 [0,2,0,0,0,0|0,0,0]=2 4611 B12R1.1703 CNC(=O)c1ccc(cc1Cl)O 240690a_100102657272_100000702456 [0,2,0,0,0,0|0,0,0]=2 4612 B12R1.1703 CNC(=O)c1ccc(cc1Cl)O 527a_100102657272_100000702456 [0,2,0,0,0,0|0,0,0]=2 4613 B12R1.1703 CNC(=O)c1ccc(cc1F)Br 11a_106832991635_100000214689 [0,2,0,0,0,0|0,0,0]=2 4614 B12R1.1703 CNC(=O)c1ccc(cc1F)Br 1626a_100102657272_100000214689 [0,2,0,0,0,0|0,0,0]=2 4615 B12R1.1703 CNC(=O)c1ccc(cc1F)Br 240690a_100102657272_100000214689 [0,2,0,0,0,0|0,0,0]=2 4616 B12R1.1703 CNC(=O)c1ccc(cc1F)Br 527a_100102657272_100000214689 [0,2,0,0,0,0|0,0,0]=2 4617 B12R1.1703 CNC(=O)c1ccc(cc1F)C 11a_106832991635_100000766033 [0,2,0,0,0,0|0,0,0]=2 4618 B12R1.1703 CNC(=O)c1ccc(cc1F)C 1626a_100102657272_100000766033 [0,2,0,0,0,0|0,0,0]=2 4619 B12R1.1703 CNC(=O)c1ccc(cc1F)C 240690a_100102657272_100000766033 [0,2,0,0,0,0|0,0,0]=2 4620 B12R1.1703 CNC(=O)c1ccc(cc1F)C 527a_100102657272_100000766033 [0,2,0,0,0,0|0,0,0]=2 4621 B12R1.1703 CNC(=O)c1ccc(cc1F)Cl 11a_106832991635_100000212326 [0,2,0,0,0,0|0,0,0]=2 4622 B12R1.1703 CNC(=O)c1ccc(cc1F)Cl 1626a_100102657272_100000212326 [0,2,0,0,0,0|0,0,0]=2 4623 B12R1.1703 CNC(=O)c1ccc(cc1F)Cl 240690a_100102657272_100000212326 [0,2,0,0,0,0|0,0,0]=2 4624 B12R1.1703 CNC(=O)c1ccc(cc1F)Cl 527a_100102657272_100000212326 [0,2,0,0,0,0|0,0,0]=2 4625 B12R1.1703 CNC(=O)c1ccc(cc1F)F 11a_106832991635_100000211022 [0,2,0,0,0,0|0,0,0]=2 4626 B12R1.1703 CNC(=O)c1ccc(cc1F)F 1626a_100102657272_100000211022 [0,2,0,0,0,0|0,0,0]=2 4627 B12R1.1703 CNC(=O)c1ccc(cc1F)F 240690a_100102657272_100000211022 [0,2,0,0,0,0|0,0,0]=2 4628 B12R1.1703 CNC(=O)c1ccc(cc1F)F 527a_100102657272_100000211022 [0,2,0,0,0,0|0,0,0]=2 4629 B12R1.1703 CNC(=O)c1ccc(cc1F)I 11a_106832991635_100000037189 [0,2,0,0,0,0|0,0,0]=2 4630 B12R1.1703 CNC(=O)c1ccc(cc1F)I 1626a_100102657272_100000037189 [0,2,0,0,0,0|0,0,0]=2 4631 B12R1.1703 CNC(=O)c1ccc(cc1F)I 240690a_100102657272_100000037189 [0,2,0,0,0,0|0,0,0]=2 4632 B12R1.1703 CNC(=O)c1ccc(cc1F)I 527a_100102657272_100000037189 [0,2,0,0,0,0|0,0,0]=2 4633 B12R1.1703 CNC(=O)c1ccc(cc1F)O 240690a_100102657272_100000689029 [0,2,0,0,0,0|0,0,0]=2 4634 B12R1.1703 CNC(=O)c1ccc(cc1F)O 271570a_203496583355_100000233932 [0,2,0,0,0,0|0,0,0]=2 4635 B12R1.1703 CNC(=O)c1ccc(cc1F)O 527a_100102657272_100000689029 [0,2,0,0,0,0|0,0,0]=2 4636 B12R1.1703 CNC(=O)c1ccc(cc1I)Br 11a_106832991635_100000751167 [0,2,0,0,0,0|0,0,0]=2 4637 B12R1.1703 CNC(=O)c1ccc(cc1I)Br 1626a_100102657272_100000751167 [0,2,0,0,0,0|0,0,0]=2 4638 B12R1.1703 CNC(=O)c1ccc(cc1I)Br 240690a_100102657272_100000751167 [0,2,0,0,0,0|0,0,0]=2 4639 B12R1.1703 CNC(=O)c1ccc(cc1I)Br 527a_100102657272_100000751167 [0,2,0,0,0,0|0,0,0]=2 4640 B12R1.1703 CNC(=O)c1ccc(cc1I)C 11a_106832991635_100009999607 [0,2,0,0,0,0|0,0,0]=2 4641 B12R1.1703 CNC(=O)c1ccc(cc1I)C 1626a_100102657272_100009999607 [0,2,0,0,0,0|0,0,0]=2 4642 B12R1.1703 CNC(=O)c1ccc(cc1I)C 240690a_100102657272_100009999607 [0,2,0,0,0,0|0,0,0]=2 4643 B12R1.1703 CNC(=O)c1ccc(cc1I)C 527a_100102657272_100009999607 [0,2,0,0,0,0|0,0,0]=2 4644 B12R1.1703 CNC(=O)c1ccc(cc1I)Cl 11a_106832991635_100000739380 [0,2,0,0,0,0|0,0,0]=2 4645 B12R1.1703 CNC(=O)c1ccc(cc1I)Cl 1626a_100102657272_100000739380 [0,2,0,0,0,0|0,0,0]=2 4646 B12R1.1703 CNC(=O)c1ccc(cc1I)Cl 240690a_100102657272_100000739380 [0,2,0,0,0,0|0,0,0]=2 4647 B12R1.1703 CNC(=O)c1ccc(cc1I)Cl 527a_100102657272_100000739380 [0,2,0,0,0,0|0,0,0]=2 4648 B12R1.1703 CNC(=O)c1ccc(cc1I)F 11a_106832991635_100000739341 [0,2,0,0,0,0|0,0,0]=2 4649 B12R1.1703 CNC(=O)c1ccc(cc1I)F 1626a_100102657272_100000739341 [0,2,0,0,0,0|0,0,0]=2 4650 B12R1.1703 CNC(=O)c1ccc(cc1I)F 240690a_100102657272_100000739341 [0,2,0,0,0,0|0,0,0]=2 4651 B12R1.1703 CNC(=O)c1ccc(cc1I)F 527a_100102657272_100000739341 [0,2,0,0,0,0|0,0,0]=2 4652 B12R1.1703 CNC(=O)c1ccc(cc1O)Br 240690a_100102657272_100000744433 [0,2,0,0,0,0|0,0,0]=2 4653 B12R1.1703 CNC(=O)c1ccc(cc1O)Br 527a_100102657272_100000744433 [0,2,0,0,0,0|0,0,0]=2 4654 B12R1.1703 CNC(=O)c1ccc(cc1O)C 1626a_100102657272_100000212137 [0,2,0,0,0,0|0,0,0]=2 4655 B12R1.1703 CNC(=O)c1ccc(cc1O)C 240690a_100102657272_100000212137 [0,2,0,0,0,0|0,0,0]=2 4656 B12R1.1703 CNC(=O)c1ccc(cc1O)C 527a_100102657272_100000212137 [0,2,0,0,0,0|0,0,0]=2 4657 B12R1.1703 CNC(=O)c1ccc(cc1O)Cl 11a_106832991635_100000188622 [0,2,0,0,0,0|0,0,0]=2 4658 B12R1.1703 CNC(=O)c1ccc(cc1O)Cl 240690a_100102657272_100000188622 [0,2,0,0,0,0|0,0,0]=2 4659 B12R1.1703 CNC(=O)c1ccc(cc1O)Cl 527a_100102657272_100000188622 [0,2,0,0,0,0|0,0,0]=2 4660 B12R1.1703 CNC(=O)c1ccc(cc1O)F 240690a_100102657272_100000746061 [0,2,0,0,0,0|0,0,0]=2 4661 B12R1.1703 CNC(=O)c1ccc(cc1O)F 271570a_203496583355_200000206206 [0,2,0,0,0,0|0,0,0]=2 4662 B12R1.1703 CNC(=O)c1ccc(cc1O)F 527a_100102657272_100000746061 [0,2,0,0,0,0|0,0,0]=2 4663 B12R1.1703 CNC(=O)c1ccc(cc1O)I 240690a_100102657272_100000091984 [0,2,0,0,0,0|0,0,0]=2 4664 B12R1.1703 CNC(=O)c1ccc(cc1O)I 527a_100102657272_100000091984 [0,2,0,0,0,0|0,0,0]=2 4665 B12R1.1703 CNC(C)c1ccc(cc1Br)Br 269862a_106832991636_100000183147 [0,2,0,0,0,0|1,0,1]=4 4666 B12R1.1703 CNC(C)c1ccc(cc1Br)C 269862a_106832991636_100012353930 [0,2,0,0,0,0|1,0,1]=4 4667 B12R1.1703 CNC(C)c1ccc(cc1Br)Cl 269862a_106832991636_100011934292 [0,2,0,0,0,0|1,0,1]=4 4668 B12R1.1703 CNC(C)c1ccc(cc1Br)F 269862a_106832991636_100000686192 [0,2,0,0,0,0|1,0,1]=4 4669 B12R1.1703 CNC(C)c1ccc(cc1C)Br 269862a_106832991636_100012360112 [0,2,0,0,0,0|1,0,1]=4 4670 B12R1.1703 CNC(C)c1ccc(cc1C)C 269862a_106832991636_100000211561 [0,2,0,0,0,0|1,0,1]=4 4671 B12R1.1703 CNC(C)c1ccc(cc1C)Cl 269862a_106832991636_100011998434 [0,2,0,0,0,0|1,0,1]=4 4672 B12R1.1703 CNC(C)c1ccc(cc1C)F 269862a_106832991636_100000753884 [0,2,0,0,0,0|1,0,1]=4 4673 B12R1.1703 CNC(C)c1ccc(cc1Cl)Br 269862a_106832991636_100000693907 [0,2,0,0,0,0|1,0,1]=4 4674 B12R1.1703 CNC(C)c1ccc(cc1Cl)Cl 2230a_100000179772_200000210301 [0,2,0,0,0,0|1,0,1]=4 4675 B12R1.1703 CNC(C)c1ccc(cc1Cl)Cl 269862a_106832991636_100000210972 [0,2,0,0,0,0|1,0,1]=4 4676 B12R1.1703 CNC(C)c1ccc(cc1Cl)Cl 34a_100000179772_200000210301 [0,2,0,0,0,0|1,0,1]=4 4677 B12R1.1703 CNC(C)c1ccc(cc1Cl)F 269862a_106832991636_100000214953 [0,2,0,0,0,0|1,0,1]=4 4678 B12R1.1703 CNC(C)c1ccc(cc1F)Br 2230a_100000730447_200000210301 [0,2,0,0,0,0|1,0,1]=4 4679 B12R1.1703 CNC(C)c1ccc(cc1F)Br 269862a_106832991636_100000690205 [0,2,0,0,0,0|1,0,1]=4 4680 B12R1.1703 CNC(C)c1ccc(cc1F)Br 34a_100000730447_200000210301 [0,2,0,0,0,0|1,0,1]=4 4681 B12R1.1703 CNC(C)c1ccc(cc1F)C 269862a_106832991636_100011216410 [0,2,0,0,0,0|1,0,1]=4 4682 B12R1.1703 CNC(C)c1ccc(cc1F)Cl 269862a_106832991636_100011805184 [0,2,0,0,0,0|1,0,1]=4 4683 B12R1.1703 CNC(C)c1ccc(cc1F)F 2230a_100000181410_200000210301 [0,2,0,0,0,0|1,0,1]=4 4684 B12R1.1703 CNC(C)c1ccc(cc1F)F 269862a_106832991636_100000185200 [0,2,0,0,0,0|1,0,1]=4 4685 B12R1.1703 CNC(C)c1ccc(cc1F)F 34a_100000181410_200000210301 [0,2,0,0,0,0|1,0,1]=4 4686 B12R1.1703 CNC(C)c1ccc(cc1O)Br 269862a_106832991636_100000188348 [0,2,0,0,0,0|1,0,1]=4 4687 B12R1.1703 CNC(C)c1ccc(cc1O)C 269862a_106832991636_100000234885 [0,2,0,0,0,0|1,0,1]=4 4688 B12R1.1703 CNC(C)c1ccc(cc1O)Cl 269862a_106832991636_100000061402 [0,2,0,0,0,0|1,0,1]=4 4689 B12R1.1703 CNC(C)c1ccc(cc1O)F 269862a_106832991636_100011215782 [0,2,0,0,0,0|1,0,1]=4 4690 B12R1.1703 CN[C@@H](C)c1ccc(cc1C)C 2230a_100000745882_200000210301 [0,2,0,0,0,0|1,0,1]=4 4691 B12R1.1703 CN[C@@H](C)c1ccc(cc1C)C 34a_100000745882_200000210301 [0,2,0,0,0,0|1,0,1]=4 4692 B12R1.1703 CN[C@@H](C)c1ccc(cc1C)Cl 2230a_100020633667_200000210301 [0,2,0,0,0,0|1,0,1]=4 4693 B12R1.1703 CN[C@@H](C)c1ccc(cc1C)Cl 34a_100020633667_200000210301 [0,2,0,0,0,0|1,0,1]=4 4694 B12R1.1703 CN[C@H](C)c1ccc(cc1Br)F 2230a_100025704064_200000210301 [0,2,0,0,0,0|1,0,1]=4 4695 B12R1.1703 CN[C@H](C)c1ccc(cc1Br)F 34a_100025704064_200000210301 [0,2,0,0,0,0|1,0,1]=4 4696 B12R1.1703 CN[C@H](C)c1ccc(cc1Cl)F 2230a_100015196781_200000210301 [0,2,0,0,0,0|1,0,1]=4 4697 B12R1.1703 CN[C@H](C)c1ccc(cc1Cl)F 34a_100015196781_200000210301 [0,2,0,0,0,0|1,0,1]=4 4698 B12R1.1703 COC(=O)c1ccc(c[n+]1[O-])O 271570a_203496583355_100015641791 [0,2,0,0,0,0|2,0,0]=4 4699 B12R1.1703 COC(=O)c1ccc(cc1Br)O 271570a_203496583355_100010247156 [0,2,0,0,0,0|1,0,0]=3 4700 B12R1.1703 COC(=O)c1ccc(cc1C)O 271570a_203496583355_100000747612 [0,2,0,0,0,0|1,0,0]=3 4701 B12R1.1703 COC(=O)c1ccc(cc1Cl)O 271570a_203496583355_100000060724 [0,2,0,0,0,0|1,0,0]=3 4702 B12R1.1703 COC(=O)c1ccc(cc1F)O 271570a_203496583355_100000216654 [0,2,0,0,0,0|1,0,0]=3 4703 B12R1.1703 COC(=O)c1ccc(cc1N)O 271570a_203496583355_100011373473 [0,2,0,0,0,0|1,0,0]=3 4704 B12R1.1703 COC(=O)c1ccc(cc1O)Br 271570a_203496583355_100000701758 [0,2,0,0,0,0|1,0,0]=3 4705 B12R1.1703 COC(=O)c1ccc(cc1O)C 271570a_203496583355_100012340597 [0,2,0,0,0,0|1,0,0]=3 4706 B12R1.1703 COC(=O)c1ccc(cc1O)Cl 271570a_203496583355_100000047510 [0,2,0,0,0,0|1,0,0]=3 4707 B12R1.1703 COC(=O)c1ccc(cc1O)F 271570a_203496583355_100000204356 [0,2,0,0,0,0|1,0,0]=3 4708 B12R1.1703 COC(=O)c1ccc(cc1O)N 271570a_203496583355_100009998378 [0,2,0,0,0,0|1,0,0]=3 4709 B12R1.1703 COC(=O)c1ccc(cc1O)O 271570a_203496583355_100000062286 [0,2,0,0,0,0|1,0,0]=3 4710 B12R1.1703 COC(=O)c1ccc(cc1O)O 271570a_203496583355_100010150825 [0,2,0,0,0,0|1,0,0]=3 4711 B12R1.1703 COC(=O)c1ccc(nc1C)O 271570a_203496583355_100000692007 [0,2,0,0,0,0|2,0,0]=4 4712 B12R1.1703 COC(=O)c1ccc(nc1F)O 271570a_203496583355_100010189635 [0,2,0,0,0,0|2,0,0]=4 4713 B12R1.1703 COC(=O)c1ccc(nc1N)O 271570a_203496583355_100000142702 [0,2,0,0,0,0|2,0,0]=4 4714 B12R1.1703 COC(=O)c1ccc(nc1O)C 271570a_203496583355_100000054099 [0,2,0,0,0,0|2,0,0]=4 4715 B12R1.1703 COC(=O)c1ccc(nc1O)N 271570a_203496583355_100009865240 [0,2,0,0,0,0|2,0,0]=4 4716 B12R1.1703 COC(=O)c1ccc(nc1O)O 271570a_203496583355_100015962272 [0,2,0,0,0,0|2,0,0]=4 4717 B12R1.1703 COC(=O)c1ccc(nc1O)O 271570a_203496583355_100016008356 [0,2,0,0,0,0|2,0,0]=4 4718 B12R1.1703 COC(=O)c1cnc(cc1C)O 271570a_203496583355_100009871181 [0,2,0,0,0,0|2,0,0]=4 4719 B12R1.1703 COC(=O)c1cnc(cc1N)O 271570a_203496583355_100009862510 [0,2,0,0,0,0|2,0,0]=4 4720 B12R1.1703 COC(=O)c1cnc(cc1O)C 271570a_203496583355_100011998247 [0,2,0,0,0,0|2,0,0]=4 4721 B12R1.1703 COC(=O)c1ncc(cc1C)O 271570a_203496583355_100010178714 [0,2,0,0,0,0|2,0,0]=4 4722 B12R1.1703 COC(=O)c1ncc(cc1F)O 271570a_203496583355_100000695675 [0,2,0,0,0,0|2,0,0]=4 4723 B12R1.1703 COC(=O)c1ncc(cc1N)O 271570a_203496583355_100010090751 [0,2,0,0,0,0|2,0,0]=4 4724 B12R1.1703 COC(=O)c1ncc(cc1O)C 271570a_203496583355_100010167497 [0,2,0,0,0,0|2,0,0]=4 4725 B12R1.1703 COC(=O)c1ncc(cc1O)F 271570a_203496583355_100010189631 [0,2,0,0,0,0|2,0,0]=4 4726 B12R1.1703 COC(=O)c1ncc(cc1O)O 271570a_203496583355_100010071521 [0,2,0,0,0,0|2,0,0]=4 4727 B12R1.1703 C[C@@H](N[13CH3])c1ccc(cc1Br)F 2230a_100025704064_200025704644 [0,2,0,0,0,0|1,0,1]=4 4728 B12R1.1703 C[C@@H](N[13CH3])c1ccc(cc1Br)F 34a_100025704064_200025704644 [0,2,0,0,0,0|1,0,1]=4 4729 B12R1.1703 C[C@@H](N[13CH3])c1ccc(cc1Cl)F 2230a_100015196781_200025704644 [0,2,0,0,0,0|1,0,1]=4 4730 B12R1.1703 C[C@@H](N[13CH3])c1ccc(cc1Cl)F 34a_100015196781_200025704644 [0,2,0,0,0,0|1,0,1]=4 4731 B12R1.1703 Cc1cc(ccc1C(=O)CF)Br 1458a_100000741311_100015361967 [0,2,0,0,0,0|2,0,0]=4 4732 B12R1.1703 Cc1cc(ccc1C(=O)CF)Cl 1458a_100000688705_100015361967 [0,2,0,0,0,0|2,0,0]=4 4733 B12R1.1703 Cc1cc(ccc1C(=O)CF)F 1458a_100000686989_100015361967 [0,2,0,0,0,0|2,0,0]=4 4734 B12R1.1703 Cc1cc(ccc1C(=O)CF)I 1458a_100010189873_100015361967 [0,2,0,0,0,0|2,0,0]=4 4735 B12R1.1703 Cc1cc(ccc1C(=O)CF)O 1458a_100000692822_100015361967 [0,2,0,0,0,0|2,0,0]=4 4736 B12R1.1703 Cc1cc(ccc1[C@H](C)N[13CH3])Cl 2230a_100020633667_200025704644 [0,2,0,0,0,0|1,0,1]=4 4737 B12R1.1703 Cc1cc(ccc1[C@H](C)N[13CH3])Cl 34a_100020633667_200025704644 [0,2,0,0,0,0|1,0,1]=4 4738 B12R1.1703 Cc1ccc(c(c1)Br)C(=O)CF 1458a_100000685072_100015361967 [0,2,0,0,0,0|2,0,0]=4 4739 B12R1.1703 Cc1ccc(c(c1)C)C(=O)CF 1458a_100000211164_100015361967 [0,2,0,0,0,0|2,0,0]=4 4740 B12R1.1703 Cc1ccc(c(c1)C)[C@H](C)N[13CH3] 2230a_100000745882_200025704644 [0,2,0,0,0,0|1,0,1]=4 4741 B12R1.1703 Cc1ccc(c(c1)C)[C@H](C)N[13CH3] 34a_100000745882_200025704644 [0,2,0,0,0,0|1,0,1]=4 4742 B12R1.1703 Cc1ccc(c(c1)Cl)C(=O)CF 1458a_100000766932_100015361967 [0,2,0,0,0,0|2,0,0]=4 4743 B12R1.1703 Cc1ccc(c(c1)F)C(=O)CF 1458a_100000766033_100015361967 [0,2,0,0,0,0|2,0,0]=4 4744 B12R1.1703 Cc1ccc(c(c1)I)C(=O)CF 1458a_100009999607_100015361967 [0,2,0,0,0,0|2,0,0]=4 4745 B12R1.1703 Cc1ccc(c(c1)O)C(=O)CF 1458a_100000212137_100015361967 [0,2,0,0,0,0|2,0,0]=4 4746 B12R1.1703 Cc1ccc(c(c1)O)C(=O)NN 271570a_203496583355_200012340525 [0,2,0,0,0,0|1,0,0]=3 4747 B12R1.1703 NNC(=O)c1ccc(cc1O)F 271570a_203496583355_100000203923 [0,2,0,0,0,0|1,0,0]=3 4748 B12R1.1703 O=C(CF)c1ccc(cc1Br)Br 1458a_100000762965_100015361967 [0,2,0,0,0,0|2,0,0]=4 4749 B12R1.1703 O=C(CF)c1ccc(cc1Br)Cl 1458a_100000766353_100015361967 [0,2,0,0,0,0|2,0,0]=4 4750 B12R1.1703 O=C(CF)c1ccc(cc1Br)F 1458a_100000212304_100015361967 [0,2,0,0,0,0|2,0,0]=4 4751 B12R1.1703 O=C(CF)c1ccc(cc1Br)I 1458a_100012360512_100015361967 [0,2,0,0,0,0|2,0,0]=4 4752 B12R1.1703 O=C(CF)c1ccc(cc1Br)O 1458a_100012344906_100015361967 [0,2,0,0,0,0|2,0,0]=4 4753 B12R1.1703 O=C(CF)c1ccc(cc1Cl)Br 1458a_100000741628_100015361967 [0,2,0,0,0,0|2,0,0]=4 4754 B12R1.1703 O=C(CF)c1ccc(cc1Cl)Cl 1458a_100000185840_100015361967 [0,2,0,0,0,0|2,0,0]=4 4755 B12R1.1703 O=C(CF)c1ccc(cc1Cl)F 1458a_100000211397_100015361967 [0,2,0,0,0,0|2,0,0]=4 4756 B12R1.1703 O=C(CF)c1ccc(cc1Cl)I 1458a_100000751301_100015361967 [0,2,0,0,0,0|2,0,0]=4 4757 B12R1.1703 O=C(CF)c1ccc(cc1Cl)O 1458a_100000702456_100015361967 [0,2,0,0,0,0|2,0,0]=4 4758 B12R1.1703 O=C(CF)c1ccc(cc1F)Br 1458a_100000214689_100015361967 [0,2,0,0,0,0|2,0,0]=4 4759 B12R1.1703 O=C(CF)c1ccc(cc1F)Cl 1458a_100000212326_100015361967 [0,2,0,0,0,0|2,0,0]=4 4760 B12R1.1703 O=C(CF)c1ccc(cc1F)F 1458a_100000211022_100015361967 [0,2,0,0,0,0|2,0,0]=4 4761 B12R1.1703 O=C(CF)c1ccc(cc1F)I 1458a_100000037189_100015361967 [0,2,0,0,0,0|2,0,0]=4 4762 B12R1.1703 O=C(CF)c1ccc(cc1F)O 1458a_100000689029_100015361967 [0,2,0,0,0,0|2,0,0]=4 4763 B12R1.1703 O=C(CF)c1ccc(cc1I)Br 1458a_100000751167_100015361967 [0,2,0,0,0,0|2,0,0]=4 4764 B12R1.1703 O=C(CF)c1ccc(cc1I)Cl 1458a_100000739380_100015361967 [0,2,0,0,0,0|2,0,0]=4 4765 B12R1.1703 O=C(CF)c1ccc(cc1I)F 1458a_100000739341_100015361967 [0,2,0,0,0,0|2,0,0]=4 4766 B12R1.1703 O=C(CF)c1ccc(cc1O)Br 1458a_100000744433_100015361967 [0,2,0,0,0,0|2,0,0]=4 4767 B12R1.1703 O=C(CF)c1ccc(cc1O)Cl 1458a_100000188622_100015361967 [0,2,0,0,0,0|2,0,0]=4 4768 B12R1.1703 O=C(CF)c1ccc(cc1O)F 1458a_100000746061_100015361967 [0,2,0,0,0,0|2,0,0]=4 4769 B12R1.1703 O=C(CF)c1ccc(cc1O)I 1458a_100000091984_100015361967 [0,2,0,0,0,0|2,0,0]=4 4770 B12R1.1703 O=C(CF)c1ccc(cc1O)O 1458a_100000212172_100015361967 [0,2,0,0,0,0|2,0,0]=4 4771 B12R1.24 CC(N[13CH3])c1cccc(c1Cl)Cl 2230a_100015335525_200025704644 [0,2,0,0,0,0|1,0,1]=4 4772 B12R1.24 CC(N[13CH3])c1cccc(c1Cl)Cl 34a_100015335525_200025704644 [0,2,0,0,0,0|1,0,1]=4 4773 B12R1.24 CC(N[13CH3])c1cccc(c1Cl)F 2230a_100103153465_200025704644 [0,2,0,0,0,0|1,0,1]=4 4774 B12R1.24 CC(N[13CH3])c1cccc(c1Cl)F 34a_100103153465_200025704644 [0,2,0,0,0,0|1,0,1]=4 4775 B12R1.24 CCC(=O)c1cccc(c1Br)Br 1458a_100012360534_100000210202 [0,2,0,0,0,0|1,0,0]=3 4776 B12R1.24 CCC(=O)c1cccc(c1Br)C 1458a_100000692419_100000210202 [0,2,0,0,0,0|1,0,0]=3 4777 B12R1.24 CCC(=O)c1cccc(c1Br)Cl 1458a_100012339722_100000210202 [0,2,0,0,0,0|1,0,0]=3 4778 B12R1.24 CCC(=O)c1cccc(c1Br)F 1458a_100011217547_100000210202 [0,2,0,0,0,0|1,0,0]=3 4779 B12R1.24 CCC(=O)c1cccc(c1Br)I 1458a_100010232522_100000210202 [0,2,0,0,0,0|1,0,0]=3 4780 B12R1.24 CCC(=O)c1cccc(c1Br)O 1458a_100010230362_100000210202 [0,2,0,0,0,0|1,0,0]=3 4781 B12R1.24 CCC(=O)c1cccc(c1C)Br 1458a_100000760464_100000210202 [0,2,0,0,0,0|1,0,0]=3 4782 B12R1.24 CCC(=O)c1cccc(c1C)C 1458a_100000183679_100000210202 [0,2,0,0,0,0|1,0,0]=3 4783 B12R1.24 CCC(=O)c1cccc(c1C)Cl 1458a_100000690184_100000210202 [0,2,0,0,0,0|1,0,0]=3 4784 B12R1.24 CCC(=O)c1cccc(c1C)F 1458a_100011218272_100000210202 [0,2,0,0,0,0|1,0,0]=3 4785 B12R1.24 CCC(=O)c1cccc(c1C)I 1458a_100000751865_100000210202 [0,2,0,0,0,0|1,0,0]=3 4786 B12R1.24 CCC(=O)c1cccc(c1C)O 1458a_100000766327_100000210202 [0,2,0,0,0,0|1,0,0]=3 4787 B12R1.24 CCC(=O)c1cccc(c1Cl)Br 1458a_100000760540_100000210202 [0,2,0,0,0,0|1,0,0]=3 4788 B12R1.24 CCC(=O)c1cccc(c1Cl)C 1458a_100000693142_100000210202 [0,2,0,0,0,0|1,0,0]=3 4789 B12R1.24 CCC(=O)c1cccc(c1Cl)Cl 1458a_100000183631_100000210202 [0,2,0,0,0,0|1,0,0]=3 4790 B12R1.24 CCC(=O)c1cccc(c1Cl)F 1458a_100000759904_100000210202 [0,2,0,0,0,0|1,0,0]=3 4791 B12R1.24 CCC(=O)c1cccc(c1Cl)I 1458a_100010176783_100000210202 [0,2,0,0,0,0|1,0,0]=3 4792 B12R1.24 CCC(=O)c1cccc(c1Cl)O 1458a_100000092362_100000210202 [0,2,0,0,0,0|1,0,0]=3 4793 B12R1.24 CCC(=O)c1cccc(c1F)Br 1458a_100000756403_100000210202 [0,2,0,0,0,0|1,0,0]=3 4794 B12R1.24 CCC(=O)c1cccc(c1F)C 1458a_100000766181_100000210202 [0,2,0,0,0,0|1,0,0]=3 4795 B12R1.24 CCC(=O)c1cccc(c1F)Cl 1458a_100000688816_100000210202 [0,2,0,0,0,0|1,0,0]=3 4796 B12R1.24 CCC(=O)c1cccc(c1F)F 1458a_100000748134_100000210202 [0,2,0,0,0,0|1,0,0]=3 4797 B12R1.24 CCC(=O)c1cccc(c1F)I 1458a_100010185205_100000210202 [0,2,0,0,0,0|1,0,0]=3 4798 B12R1.24 CCC(=O)c1cccc(c1F)O 1458a_100000037433_100000210202 [0,2,0,0,0,0|1,0,0]=3 4799 B12R1.24 CCC(=O)c1cccc(c1I)Br 1458a_100000688019_100000210202 [0,2,0,0,0,0|1,0,0]=3 4800 B12R1.24 CCC(=O)c1cccc(c1I)C 1458a_100000739377_100000210202 [0,2,0,0,0,0|1,0,0]=3 4801 B12R1.24 CCC(=O)c1cccc(c1I)Cl 1458a_100010176784_100000210202 [0,2,0,0,0,0|1,0,0]=3 4802 B12R1.24 CCC(=O)c1cccc(c1I)F 1458a_100000690930_100000210202 [0,2,0,0,0,0|1,0,0]=3 4803 B12R1.24 CCC(=O)c1cccc(c1I)O 1458a_100010084636_100000210202 [0,2,0,0,0,0|1,0,0]=3 4804 B12R1.24 CCC(=O)c1cccc(c1O)Br 1458a_100000752940_100000210202 [0,2,0,0,0,0|1,0,0]=3 4805 B12R1.24 CCC(=O)c1cccc(c1O)C 1458a_100000183896_100000210202 [0,2,0,0,0,0|1,0,0]=3 4806 B12R1.24 CCC(=O)c1cccc(c1O)Cl 1458a_100000742801_100000210202 [0,2,0,0,0,0|1,0,0]=3 4807 B12R1.24 CCC(=O)c1cccc(c1O)F 1458a_100011217230_100000210202 [0,2,0,0,0,0|1,0,0]=3 4808 B12R1.24 CCC(=O)c1cccc(c1O)O 1458a_100000690420_100000210202 [0,2,0,0,0,0|1,0,0]=3 4809 B12R1.24 CNC(=O)c1cccc(c1Br)Br 11a_106832991635_100012360534 [0,2,0,0,0,0|0,0,0]=2 4810 B12R1.24 CNC(=O)c1cccc(c1Br)Br 1626a_100102657272_100012360534 [0,2,0,0,0,0|0,0,0]=2 4811 B12R1.24 CNC(=O)c1cccc(c1Br)Br 240690a_100102657272_100012360534 [0,2,0,0,0,0|0,0,0]=2 4812 B12R1.24 CNC(=O)c1cccc(c1Br)Br 527a_100102657272_100012360534 [0,2,0,0,0,0|0,0,0]=2 4813 B12R1.24 CNC(=O)c1cccc(c1Br)C 11a_106832991635_100000692419 [0,2,0,0,0,0|0,0,0]=2 4814 B12R1.24 CNC(=O)c1cccc(c1Br)C 1626a_100102657272_100000692419 [0,2,0,0,0,0|0,0,0]=2 4815 B12R1.24 CNC(=O)c1cccc(c1Br)C 240690a_100102657272_100000692419 [0,2,0,0,0,0|0,0,0]=2 4816 B12R1.24 CNC(=O)c1cccc(c1Br)C 527a_100102657272_100000692419 [0,2,0,0,0,0|0,0,0]=2 4817 B12R1.24 CNC(=O)c1cccc(c1Br)Cl 11a_106832991635_100012339722 [0,2,0,0,0,0|0,0,0]=2 4818 B12R1.24 CNC(=O)c1cccc(c1Br)Cl 1626a_100102657272_100012339722 [0,2,0,0,0,0|0,0,0]=2 4819 B12R1.24 CNC(=O)c1cccc(c1Br)Cl 240690a_100102657272_100012339722 [0,2,0,0,0,0|0,0,0]=2 4820 B12R1.24 CNC(=O)c1cccc(c1Br)Cl 527a_100102657272_100012339722 [0,2,0,0,0,0|0,0,0]=2 4821 B12R1.24 CNC(=O)c1cccc(c1Br)F 11a_106832991635_100011217547 [0,2,0,0,0,0|0,0,0]=2 4822 B12R1.24 CNC(=O)c1cccc(c1Br)F 1626a_100102657272_100011217547 [0,2,0,0,0,0|0,0,0]=2 4823 B12R1.24 CNC(=O)c1cccc(c1Br)F 240690a_100102657272_100011217547 [0,2,0,0,0,0|0,0,0]=2 4824 B12R1.24 CNC(=O)c1cccc(c1Br)F 527a_100102657272_100011217547 [0,2,0,0,0,0|0,0,0]=2 4825 B12R1.24 CNC(=O)c1cccc(c1Br)I 11a_106832991635_100010232522 [0,2,0,0,0,0|0,0,0]=2 4826 B12R1.24 CNC(=O)c1cccc(c1Br)I 1626a_100102657272_100010232522 [0,2,0,0,0,0|0,0,0]=2 4827 B12R1.24 CNC(=O)c1cccc(c1Br)I 240690a_100102657272_100010232522 [0,2,0,0,0,0|0,0,0]=2 4828 B12R1.24 CNC(=O)c1cccc(c1Br)I 527a_100102657272_100010232522 [0,2,0,0,0,0|0,0,0]=2 4829 B12R1.24 CNC(=O)c1cccc(c1Br)O 240690a_100102657272_100010230362 [0,2,0,0,0,0|0,0,0]=2 4830 B12R1.24 CNC(=O)c1cccc(c1Br)O 527a_100102657272_100010230362 [0,2,0,0,0,0|0,0,0]=2 4831 B12R1.24 CNC(=O)c1cccc(c1C)Br 11a_106832991635_100000760464 [0,2,0,0,0,0|0,0,0]=2 4832 B12R1.24 CNC(=O)c1cccc(c1C)Br 1626a_100102657272_100000760464 [0,2,0,0,0,0|0,0,0]=2 4833 B12R1.24 CNC(=O)c1cccc(c1C)Br 240690a_100102657272_100000760464 [0,2,0,0,0,0|0,0,0]=2 4834 B12R1.24 CNC(=O)c1cccc(c1C)Br 527a_100102657272_100000760464 [0,2,0,0,0,0|0,0,0]=2 4835 B12R1.24 CNC(=O)c1cccc(c1C)C 11a_106832991635_100000183679 [0,2,0,0,0,0|0,0,0]=2 4836 B12R1.24 CNC(=O)c1cccc(c1C)C 1626a_100102657272_100000183679 [0,2,0,0,0,0|0,0,0]=2 4837 B12R1.24 CNC(=O)c1cccc(c1C)C 240690a_100102657272_100000183679 [0,2,0,0,0,0|0,0,0]=2 4838 B12R1.24 CNC(=O)c1cccc(c1C)C 527a_100102657272_100000183679 [0,2,0,0,0,0|0,0,0]=2 4839 B12R1.24 CNC(=O)c1cccc(c1C)Cl 11a_106832991635_100000690184 [0,2,0,0,0,0|0,0,0]=2 4840 B12R1.24 CNC(=O)c1cccc(c1C)Cl 1626a_100102657272_100000690184 [0,2,0,0,0,0|0,0,0]=2 4841 B12R1.24 CNC(=O)c1cccc(c1C)Cl 240690a_100102657272_100000690184 [0,2,0,0,0,0|0,0,0]=2 4842 B12R1.24 CNC(=O)c1cccc(c1C)Cl 527a_100102657272_100000690184 [0,2,0,0,0,0|0,0,0]=2 4843 B12R1.24 CNC(=O)c1cccc(c1C)F 11a_106832991635_100011218272 [0,2,0,0,0,0|0,0,0]=2 4844 B12R1.24 CNC(=O)c1cccc(c1C)F 1626a_100102657272_100011218272 [0,2,0,0,0,0|0,0,0]=2 4845 B12R1.24 CNC(=O)c1cccc(c1C)F 240690a_100102657272_100011218272 [0,2,0,0,0,0|0,0,0]=2 4846 B12R1.24 CNC(=O)c1cccc(c1C)F 527a_100102657272_100011218272 [0,2,0,0,0,0|0,0,0]=2 4847 B12R1.24 CNC(=O)c1cccc(c1C)I 11a_106832991635_100000751865 [0,2,0,0,0,0|0,0,0]=2 4848 B12R1.24 CNC(=O)c1cccc(c1C)I 1626a_100102657272_100000751865 [0,2,0,0,0,0|0,0,0]=2 4849 B12R1.24 CNC(=O)c1cccc(c1C)I 240690a_100102657272_100000751865 [0,2,0,0,0,0|0,0,0]=2 4850 B12R1.24 CNC(=O)c1cccc(c1C)I 527a_100102657272_100000751865 [0,2,0,0,0,0|0,0,0]=2 4851 B12R1.24 CNC(=O)c1cccc(c1C)O 240690a_100102657272_100000766327 [0,2,0,0,0,0|0,0,0]=2 4852 B12R1.24 CNC(=O)c1cccc(c1C)O 527a_100102657272_100000766327 [0,2,0,0,0,0|0,0,0]=2 4853 B12R1.24 CNC(=O)c1cccc(c1Cl)Br 11a_106832991635_100000760540 [0,2,0,0,0,0|0,0,0]=2 4854 B12R1.24 CNC(=O)c1cccc(c1Cl)Br 1626a_100102657272_100000760540 [0,2,0,0,0,0|0,0,0]=2 4855 B12R1.24 CNC(=O)c1cccc(c1Cl)Br 240690a_100102657272_100000760540 [0,2,0,0,0,0|0,0,0]=2 4856 B12R1.24 CNC(=O)c1cccc(c1Cl)Br 527a_100102657272_100000760540 [0,2,0,0,0,0|0,0,0]=2 4857 B12R1.24 CNC(=O)c1cccc(c1Cl)C 11a_106832991635_100000693142 [0,2,0,0,0,0|0,0,0]=2 4858 B12R1.24 CNC(=O)c1cccc(c1Cl)C 1626a_100102657272_100000693142 [0,2,0,0,0,0|0,0,0]=2 4859 B12R1.24 CNC(=O)c1cccc(c1Cl)C 240690a_100102657272_100000693142 [0,2,0,0,0,0|0,0,0]=2 4860 B12R1.24 CNC(=O)c1cccc(c1Cl)C 527a_100102657272_100000693142 [0,2,0,0,0,0|0,0,0]=2 4861 B12R1.24 CNC(=O)c1cccc(c1Cl)Cl 11a_106832991635_100000183631 [0,2,0,0,0,0|0,0,0]=2 4862 B12R1.24 CNC(=O)c1cccc(c1Cl)Cl 1626a_100102657272_100000183631 [0,2,0,0,0,0|0,0,0]=2 4863 B12R1.24 CNC(=O)c1cccc(c1Cl)Cl 240690a_100102657272_100000183631 [0,2,0,0,0,0|0,0,0]=2 4864 B12R1.24 CNC(=O)c1cccc(c1Cl)Cl 527a_100102657272_100000183631 [0,2,0,0,0,0|0,0,0]=2 4865 B12R1.24 CNC(=O)c1cccc(c1Cl)F 11a_106832991635_100000759904 [0,2,0,0,0,0|0,0,0]=2 4866 B12R1.24 CNC(=O)c1cccc(c1Cl)F 1626a_100102657272_100000759904 [0,2,0,0,0,0|0,0,0]=2 4867 B12R1.24 CNC(=O)c1cccc(c1Cl)F 240690a_100102657272_100000759904 [0,2,0,0,0,0|0,0,0]=2 4868 B12R1.24 CNC(=O)c1cccc(c1Cl)F 527a_100102657272_100000759904 [0,2,0,0,0,0|0,0,0]=2 4869 B12R1.24 CNC(=O)c1cccc(c1Cl)I 11a_106832991635_100010176783 [0,2,0,0,0,0|0,0,0]=2 4870 B12R1.24 CNC(=O)c1cccc(c1Cl)I 1626a_100102657272_100010176783 [0,2,0,0,0,0|0,0,0]=2 4871 B12R1.24 CNC(=O)c1cccc(c1Cl)I 240690a_100102657272_100010176783 [0,2,0,0,0,0|0,0,0]=2 4872 B12R1.24 CNC(=O)c1cccc(c1Cl)I 527a_100102657272_100010176783 [0,2,0,0,0,0|0,0,0]=2 4873 B12R1.24 CNC(=O)c1cccc(c1Cl)O 240690a_100102657272_100000092362 [0,2,0,0,0,0|0,0,0]=2 4874 B12R1.24 CNC(=O)c1cccc(c1Cl)O 527a_100102657272_100000092362 [0,2,0,0,0,0|0,0,0]=2 4875 B12R1.24 CNC(=O)c1cccc(c1F)Br 11a_106832991635_100000756403 [0,2,0,0,0,0|0,0,0]=2 4876 B12R1.24 CNC(=O)c1cccc(c1F)Br 1626a_100102657272_100000756403 [0,2,0,0,0,0|0,0,0]=2 4877 B12R1.24 CNC(=O)c1cccc(c1F)Br 240690a_100102657272_100000756403 [0,2,0,0,0,0|0,0,0]=2 4878 B12R1.24 CNC(=O)c1cccc(c1F)Br 527a_100102657272_100000756403 [0,2,0,0,0,0|0,0,0]=2 4879 B12R1.24 CNC(=O)c1cccc(c1F)C 11a_106832991635_100000766181 [0,2,0,0,0,0|0,0,0]=2 4880 B12R1.24 CNC(=O)c1cccc(c1F)C 1626a_100102657272_100000766181 [0,2,0,0,0,0|0,0,0]=2 4881 B12R1.24 CNC(=O)c1cccc(c1F)C 240690a_100102657272_100000766181 [0,2,0,0,0,0|0,0,0]=2 4882 B12R1.24 CNC(=O)c1cccc(c1F)C 527a_100102657272_100000766181 [0,2,0,0,0,0|0,0,0]=2 4883 B12R1.24 CNC(=O)c1cccc(c1F)Cl 11a_106832991635_100000688816 [0,2,0,0,0,0|0,0,0]=2 4884 B12R1.24 CNC(=O)c1cccc(c1F)Cl 1626a_100102657272_100000688816 [0,2,0,0,0,0|0,0,0]=2 4885 B12R1.24 CNC(=O)c1cccc(c1F)Cl 240690a_100102657272_100000688816 [0,2,0,0,0,0|0,0,0]=2 4886 B12R1.24 CNC(=O)c1cccc(c1F)Cl 527a_100102657272_100000688816 [0,2,0,0,0,0|0,0,0]=2 4887 B12R1.24 CNC(=O)c1cccc(c1F)F 11a_106832991635_100000748134 [0,2,0,0,0,0|0,0,0]=2 4888 B12R1.24 CNC(=O)c1cccc(c1F)F 1626a_100102657272_100000748134 [0,2,0,0,0,0|0,0,0]=2 4889 B12R1.24 CNC(=O)c1cccc(c1F)F 240690a_100102657272_100000748134 [0,2,0,0,0,0|0,0,0]=2 4890 B12R1.24 CNC(=O)c1cccc(c1F)F 527a_100102657272_100000748134 [0,2,0,0,0,0|0,0,0]=2 4891 B12R1.24 CNC(=O)c1cccc(c1F)I 11a_106832991635_100010185205 [0,2,0,0,0,0|0,0,0]=2 4892 B12R1.24 CNC(=O)c1cccc(c1F)I 1626a_100102657272_100010185205 [0,2,0,0,0,0|0,0,0]=2 4893 B12R1.24 CNC(=O)c1cccc(c1F)I 240690a_100102657272_100010185205 [0,2,0,0,0,0|0,0,0]=2 4894 B12R1.24 CNC(=O)c1cccc(c1F)I 527a_100102657272_100010185205 [0,2,0,0,0,0|0,0,0]=2 4895 B12R1.24 CNC(=O)c1cccc(c1F)O 240690a_100102657272_100000037433 [0,2,0,0,0,0|0,0,0]=2 4896 B12R1.24 CNC(=O)c1cccc(c1F)O 527a_100102657272_100000037433 [0,2,0,0,0,0|0,0,0]=2 4897 B12R1.24 CNC(=O)c1cccc(c1I)Br 11a_106832991635_100000688019 [0,2,0,0,0,0|0,0,0]=2 4898 B12R1.24 CNC(=O)c1cccc(c1I)Br 1626a_100102657272_100000688019 [0,2,0,0,0,0|0,0,0]=2 4899 B12R1.24 CNC(=O)c1cccc(c1I)Br 240690a_100102657272_100000688019 [0,2,0,0,0,0|0,0,0]=2 4900 B12R1.24 CNC(=O)c1cccc(c1I)Br 527a_100102657272_100000688019 [0,2,0,0,0,0|0,0,0]=2 4901 B12R1.24 CNC(=O)c1cccc(c1I)C 11a_106832991635_100000739377 [0,2,0,0,0,0|0,0,0]=2 4902 B12R1.24 CNC(=O)c1cccc(c1I)C 1626a_100102657272_100000739377 [0,2,0,0,0,0|0,0,0]=2 4903 B12R1.24 CNC(=O)c1cccc(c1I)C 240690a_100102657272_100000739377 [0,2,0,0,0,0|0,0,0]=2 4904 B12R1.24 CNC(=O)c1cccc(c1I)C 527a_100102657272_100000739377 [0,2,0,0,0,0|0,0,0]=2 4905 B12R1.24 CNC(=O)c1cccc(c1I)Cl 11a_106832991635_100010176784 [0,2,0,0,0,0|0,0,0]=2 4906 B12R1.24 CNC(=O)c1cccc(c1I)Cl 1626a_100102657272_100010176784 [0,2,0,0,0,0|0,0,0]=2 4907 B12R1.24 CNC(=O)c1cccc(c1I)Cl 240690a_100102657272_100010176784 [0,2,0,0,0,0|0,0,0]=2 4908 B12R1.24 CNC(=O)c1cccc(c1I)Cl 527a_100102657272_100010176784 [0,2,0,0,0,0|0,0,0]=2 4909 B12R1.24 CNC(=O)c1cccc(c1I)F 11a_106832991635_100000690930 [0,2,0,0,0,0|0,0,0]=2 4910 B12R1.24 CNC(=O)c1cccc(c1I)F 1626a_100102657272_100000690930 [0,2,0,0,0,0|0,0,0]=2 4911 B12R1.24 CNC(=O)c1cccc(c1I)F 240690a_100102657272_100000690930 [0,2,0,0,0,0|0,0,0]=2 4912 B12R1.24 CNC(=O)c1cccc(c1I)F 527a_100102657272_100000690930 [0,2,0,0,0,0|0,0,0]=2 4913 B12R1.24 CNC(=O)c1cccc(c1I)O 527a_100102657272_100010084636 [0,2,0,0,0,0|0,0,0]=2 4914 B12R1.24 CNC(=O)c1cccc(c1O)Br 240690a_100102657272_100000752940 [0,2,0,0,0,0|0,0,0]=2 4915 B12R1.24 CNC(=O)c1cccc(c1O)Br 527a_100102657272_100000752940 [0,2,0,0,0,0|0,0,0]=2 4916 B12R1.24 CNC(=O)c1cccc(c1O)C 240690a_100102657272_100000183896 [0,2,0,0,0,0|0,0,0]=2 4917 B12R1.24 CNC(=O)c1cccc(c1O)C 527a_100102657272_100000183896 [0,2,0,0,0,0|0,0,0]=2 4918 B12R1.24 CNC(=O)c1cccc(c1O)Cl 240690a_100102657272_100000742801 [0,2,0,0,0,0|0,0,0]=2 4919 B12R1.24 CNC(=O)c1cccc(c1O)Cl 527a_100102657272_100000742801 [0,2,0,0,0,0|0,0,0]=2 4920 B12R1.24 CNC(=O)c1cccc(c1O)F 240690a_100102657272_100011217230 [0,2,0,0,0,0|0,0,0]=2 4921 B12R1.24 CNC(=O)c1cccc(c1O)F 527a_100102657272_100011217230 [0,2,0,0,0,0|0,0,0]=2 4922 B12R1.24 CNC(=O)c1cccc(c1O)O 527a_100102657272_100000690420 [0,2,0,0,0,0|0,0,0]=2 4923 B12R1.24 CNC(C)c1cccc(c1Br)Cl 269862a_106832991636_100010145520 [0,2,0,0,0,0|1,0,1]=4 4924 B12R1.24 CNC(C)c1cccc(c1Br)F 269862a_106832991636_100012362612 [0,2,0,0,0,0|1,0,1]=4 4925 B12R1.24 CNC(C)c1cccc(c1C)Br 269862a_106832991636_100012706834 [0,2,0,0,0,0|1,0,1]=4 4926 B12R1.24 CNC(C)c1cccc(c1C)C 2230a_106832991635_100012183177 [0,2,0,0,0,0|1,0,1]=4 4927 B12R1.24 CNC(C)c1cccc(c1C)C 269862a_106832991636_100000756305 [0,2,0,0,0,0|1,0,1]=4 4928 B12R1.24 CNC(C)c1cccc(c1C)C 34a_100102657272_100012183177 [0,2,0,0,0,0|1,0,1]=4 4929 B12R1.24 CNC(C)c1cccc(c1C)C 7a_106832991635_100012183177 [0,2,0,0,0,0|1,0,1]=4 4930 B12R1.24 CNC(C)c1cccc(c1C)Cl 269862a_106832991636_100012002460 [0,2,0,0,0,0|1,0,1]=4 4931 B12R1.24 CNC(C)c1cccc(c1C)F 269862a_106832991636_100000061526 [0,2,0,0,0,0|1,0,1]=4 4932 B12R1.24 CNC(C)c1cccc(c1C)I 269862a_106832991636_100010725598 [0,2,0,0,0,0|1,0,1]=4 4933 B12R1.24 CNC(C)c1cccc(c1Cl)Br 269862a_106832991636_100012349481 [0,2,0,0,0,0|1,0,1]=4 4934 B12R1.24 CNC(C)c1cccc(c1Cl)Cl 2230a_100015335525_200000210301 [0,2,0,0,0,0|1,0,1]=4 4935 B12R1.24 CNC(C)c1cccc(c1Cl)Cl 269862a_106832991636_100000756844 [0,2,0,0,0,0|1,0,1]=4 4936 B12R1.24 CNC(C)c1cccc(c1Cl)Cl 34a_100015335525_200000210301 [0,2,0,0,0,0|1,0,1]=4 4937 B12R1.24 CNC(C)c1cccc(c1Cl)F 2230a_100103153465_200000210301 [0,2,0,0,0,0|1,0,1]=4 4938 B12R1.24 CNC(C)c1cccc(c1Cl)F 269862a_106832991636_100000699253 [0,2,0,0,0,0|1,0,1]=4 4939 B12R1.24 CNC(C)c1cccc(c1Cl)F 34a_100103153465_200000210301 [0,2,0,0,0,0|1,0,1]=4 4940 B12R1.24 CNC(C)c1cccc(c1F)Br 269862a_106832991636_100012355707 [0,2,0,0,0,0|1,0,1]=4 4941 B12R1.24 CNC(C)c1cccc(c1F)C 269862a_106832991636_100012182731 [0,2,0,0,0,0|1,0,1]=4 4942 B12R1.24 CNC(C)c1cccc(c1F)Cl 269862a_106832991636_100011830330 [0,2,0,0,0,0|1,0,1]=4 4943 B12R1.24 CNC(C)c1cccc(c1F)F 269862a_106832991636_100000696358 [0,2,0,0,0,0|1,0,1]=4 4944 B12R1.24 CNC(C)c1cccc(c1O)Br 269862a_106832991636_100009815558 [0,2,0,0,0,0|1,0,1]=4 4945 B12R1.24 CNC(C)c1cccc(c1O)C 269862a_106832991636_100009847209 [0,2,0,0,0,0|1,0,1]=4 4946 B12R1.24 CNC(C)c1cccc(c1O)Cl 269862a_106832991636_100000043392 [0,2,0,0,0,0|1,0,1]=4 4947 B12R1.24 CNC(C)c1cccc(c1O)F 269862a_106832991636_100011246037 [0,2,0,0,0,0|1,0,1]=4 4948 B12R1.24 CN[C@@H](C)c1cccc(c1F)F 2230a_100020612118_200000210301 [0,2,0,0,0,0|1,0,1]=4 4949 B12R1.24 CN[C@@H](C)c1cccc(c1F)F 34a_100020612118_200000210301 [0,2,0,0,0,0|1,0,1]=4 4950 B12R1.24 CN[C@H](C)c1cccc(c1F)Cl 2230a_100016987989_200000210301 [0,2,0,0,0,0|1,0,1]=4 4951 B12R1.24 CN[C@H](C)c1cccc(c1F)Cl 34a_100016987989_200000210301 [0,2,0,0,0,0|1,0,1]=4 4952 B12R1.24 COC(=O)c1c[nH]cc(c1=O)O 271570a_203496583355_100010873956 [0,2,0,0,0,0|2,0,0]=4 4953 B12R1.24 COC(=O)c1cccc(c1Br)O 271570a_203496583355_100010240208 [0,2,0,0,0,0|1,0,0]=3 4954 B12R1.24 COC(=O)c1cccc(c1C)O 271570a_203496583355_100012298220 [0,2,0,0,0,0|1,0,0]=3 4955 B12R1.24 COC(=O)c1cccc(c1F)O 271570a_203496583355_100012355674 [0,2,0,0,0,0|1,0,0]=3 4956 B12R1.24 COC(=O)c1cccc(c1N)O 271570a_203496583355_100011356556 [0,2,0,0,0,0|1,0,0]=3 4957 B12R1.24 COC(=O)c1cccc(c1O)Br 271570a_203496583355_100010150843 [0,2,0,0,0,0|1,0,0]=3 4958 B12R1.24 COC(=O)c1cccc(c1O)C 271570a_203496583355_100012002529 [0,2,0,0,0,0|1,0,0]=3 4959 B12R1.24 COC(=O)c1cccc(c1O)F 271570a_203496583355_100012357630 [0,2,0,0,0,0|1,0,0]=3 4960 B12R1.24 COC(=O)c1cccc(c1O)N 271570a_203496583355_100000719424 [0,2,0,0,0,0|1,0,0]=3 4961 B12R1.24 COC(=O)c1cccc(c1O)O 271570a_203496583355_100009816214 [0,2,0,0,0,0|1,0,0]=3 4962 B12R1.24 COC(=O)c1cccc(c1O)O 271570a_203496583355_200010230364 [0,2,0,0,0,0|1,0,0]=3 4963 B12R1.24 COC(=O)c1ccnc(c1C)O 271570a_203496583355_100000087782 [0,2,0,0,0,0|2,0,0]=4 4964 B12R1.24 COC(=O)c1ccnc(c1F)O 271570a_203496583355_100000081818 [0,2,0,0,0,0|2,0,0]=4 4965 B12R1.24 COC(=O)c1ccnc(c1N)O 271570a_203496583355_100000067308 [0,2,0,0,0,0|2,0,0]=4 4966 B12R1.24 COC(=O)c1cncc(c1C)O 271570a_203496583355_100010713144 [0,2,0,0,0,0|2,0,0]=4 4967 B12R1.24 COC(=O)c1nccc(c1C)O 271570a_203496583355_100000094583 [0,2,0,0,0,0|2,0,0]=4 4968 B12R1.24 COC(=O)c1nccc(c1F)O 271570a_203496583355_100000687924 [0,2,0,0,0,0|2,0,0]=4 4969 B12R1.24 C[C@@H](N[13CH3])c1cccc(c1F)Cl 2230a_100016987989_200025704644 [0,2,0,0,0,0|1,0,1]=4 4970 B12R1.24 C[C@@H](N[13CH3])c1cccc(c1F)Cl 34a_100016987989_200025704644 [0,2,0,0,0,0|1,0,1]=4 4971 B12R1.24 C[C@H](N[13CH3])c1cccc(c1F)F 2230a_100020612118_200025704644 [0,2,0,0,0,0|1,0,1]=4 4972 B12R1.24 C[C@H](N[13CH3])c1cccc(c1F)F 34a_100020612118_200025704644 [0,2,0,0,0,0|1,0,1]=4 4973 B12R1.24 Cc1c(cccc1C(=O)CF)Br 1458a_100000760464_100015361967 [0,2,0,0,0,0|2,0,0]=4 4974 B12R1.24 Cc1c(cccc1C(=O)CF)Cl 1458a_100000690184_100015361967 [0,2,0,0,0,0|2,0,0]=4 4975 B12R1.24 Cc1c(cccc1C(=O)CF)F 1458a_100011218272_100015361967 [0,2,0,0,0,0|2,0,0]=4 4976 B12R1.24 Cc1c(cccc1C(=O)CF)I 1458a_100000751865_100015361967 [0,2,0,0,0,0|2,0,0]=4 4977 B12R1.24 Cc1c(cccc1C(=O)CF)O 1458a_100000766327_100015361967 [0,2,0,0,0,0|2,0,0]=4 4978 B12R1.24 Cc1c(cccc1C(=O)NN)O 271570a_203496583355_200012298103 [0,2,0,0,0,0|1,0,0]=3 4979 B12R1.24 Cc1cccc(c1Br)C(=O)CF 1458a_100000692419_100015361967 [0,2,0,0,0,0|2,0,0]=4 4980 B12R1.24 Cc1cccc(c1C)C(=O)CF 1458a_100000183679_100015361967 [0,2,0,0,0,0|2,0,0]=4 4981 B12R1.24 Cc1cccc(c1Cl)C(=O)CF 1458a_100000693142_100015361967 [0,2,0,0,0,0|2,0,0]=4 4982 B12R1.24 Cc1cccc(c1F)C(=O)CF 1458a_100000766181_100015361967 [0,2,0,0,0,0|2,0,0]=4 4983 B12R1.24 Cc1cccc(c1I)C(=O)CF 1458a_100000739377_100015361967 [0,2,0,0,0,0|2,0,0]=4 4984 B12R1.24 Cc1cccc(c1O)C(=O)CF 1458a_100000183896_100015361967 [0,2,0,0,0,0|2,0,0]=4 4985 B12R1.24 O=C(CF)c1cccc(c1Br)Br 1458a_100012360534_100015361967 [0,2,0,0,0,0|2,0,0]=4 4986 B12R1.24 O=C(CF)c1cccc(c1Br)Cl 1458a_100012339722_100015361967 [0,2,0,0,0,0|2,0,0]=4 4987 B12R1.24 O=C(CF)c1cccc(c1Br)F 1458a_100011217547_100015361967 [0,2,0,0,0,0|2,0,0]=4 4988 B12R1.24 O=C(CF)c1cccc(c1Br)I 1458a_100010232522_100015361967 [0,2,0,0,0,0|2,0,0]=4 4989 B12R1.24 O=C(CF)c1cccc(c1Br)O 1458a_100010230362_100015361967 [0,2,0,0,0,0|2,0,0]=4 4990 B12R1.24 O=C(CF)c1cccc(c1Cl)Br 1458a_100000760540_100015361967 [0,2,0,0,0,0|2,0,0]=4 4991 B12R1.24 O=C(CF)c1cccc(c1Cl)Cl 1458a_100000183631_100015361967 [0,2,0,0,0,0|2,0,0]=4 4992 B12R1.24 O=C(CF)c1cccc(c1Cl)F 1458a_100000759904_100015361967 [0,2,0,0,0,0|2,0,0]=4 4993 B12R1.24 O=C(CF)c1cccc(c1Cl)I 1458a_100010176783_100015361967 [0,2,0,0,0,0|2,0,0]=4 4994 B12R1.24 O=C(CF)c1cccc(c1Cl)O 1458a_100000092362_100015361967 [0,2,0,0,0,0|2,0,0]=4 4995 B12R1.24 O=C(CF)c1cccc(c1F)Br 1458a_100000756403_100015361967 [0,2,0,0,0,0|2,0,0]=4 4996 B12R1.24 O=C(CF)c1cccc(c1F)Cl 1458a_100000688816_100015361967 [0,2,0,0,0,0|2,0,0]=4 4997 B12R1.24 O=C(CF)c1cccc(c1F)F 1458a_100000748134_100015361967 [0,2,0,0,0,0|2,0,0]=4 4998 B12R1.24 O=C(CF)c1cccc(c1F)I 1458a_100010185205_100015361967 [0,2,0,0,0,0|2,0,0]=4 4999 B12R1.24 O=C(CF)c1cccc(c1F)O 1458a_100000037433_100015361967 [0,2,0,0,0,0|2,0,0]=4 5000 B12R1.24 O=C(CF)c1cccc(c1I)Br 1458a_100000688019_100015361967 [0,2,0,0,0,0|2,0,0]=4 5001 B12R1.24 O=C(CF)c1cccc(c1I)Cl 1458a_100010176784_100015361967 [0,2,0,0,0,0|2,0,0]=4 5002 B12R1.24 O=C(CF)c1cccc(c1I)F 1458a_100000690930_100015361967 [0,2,0,0,0,0|2,0,0]=4 5003 B12R1.24 O=C(CF)c1cccc(c1I)O 1458a_100010084636_100015361967 [0,2,0,0,0,0|2,0,0]=4 5004 B12R1.24 O=C(CF)c1cccc(c1O)Br 1458a_100000752940_100015361967 [0,2,0,0,0,0|2,0,0]=4 5005 B12R1.24 O=C(CF)c1cccc(c1O)Cl 1458a_100000742801_100015361967 [0,2,0,0,0,0|2,0,0]=4 5006 B12R1.24 O=C(CF)c1cccc(c1O)F 1458a_100011217230_100015361967 [0,2,0,0,0,0|2,0,0]=4 5007 B12R1.24 O=C(CF)c1cccc(c1O)O 1458a_100000690420_100015361967 [0,2,0,0,0,0|2,0,0]=4 5008 B12R1.225 CC(=C(C)c1cccc(c1)Br)C 271570a_200000049429_100000691529 [0,2,0,0,0,0|2,0,0]=4 5009 B12R1.225 CC(=C(C)c1cccc(c1)C)C 271570a_200000049429_100011215228 [0,2,0,0,0,0|2,0,0]=4 5010 B12R1.225 CC(=C(C)c1cccc(c1)Cl)C 271570a_200000049429_100000699651 [0,2,0,0,0,0|2,0,0]=4 5011 B12R1.225 CC(=C(C)c1cccc(c1)F)C 271570a_200000049429_100000685547 [0,2,0,0,0,0|2,0,0]=4 5012 B12R1.225 CC(=C(C)c1cccc(c1)N)C 271570a_200000049429_100000210019 [0,2,0,0,0,0|2,0,0]=4 5013 B12R1.225 CC(=C(C)c1cccc(c1)O)C 271570a_200000049429_100000211634 [0,2,0,0,0,0|2,0,0]=4 5014 B12R1.225 CC(=C(C)c1cccc(c1)[S])C 271570a_200000049429_114929384022 [0,2,0,0,0,0|2,0,0]=4 5015 B12R1.225 CC(C)C(=O)c1cccc(c1)Br 1458a_100000210664_100000210206 [0,2,0,0,0,0|1,0,0]=3 5016 B12R1.225 CC(C)C(=O)c1cccc(c1)Cl 1458a_100000210390_100000210206 [0,2,0,0,0,0|1,0,0]=3 5017 B12R1.225 CC(C)C(=O)c1cccc(c1)F 1458a_100000210950_100000210206 [0,2,0,0,0,0|1,0,0]=3 5018 B12R1.225 CC(C)C(=O)c1cccc(c1)I 1458a_100000184098_100000210206 [0,2,0,0,0,0|1,0,0]=3 5019 B12R1.225 CC(C)C(=O)c1cccc(c1)O 1458a_100000183914_100000210206 [0,2,0,0,0,0|1,0,0]=3 5020 B12R1.225 CC(C)C(=O)c1cccc(c1)O 271570a_203496583355_100011350656 [0,2,0,0,0,0|1,0,0]=3 5021 B12R1.225 CC(c1cccc(c1)Br)N(C)C 2230a_100025717457_200000210301 [0,2,0,0,0,0|1,0,1]=4 5022 B12R1.225 CC(c1cccc(c1)Br)N(C)C 269982a_100025717457_200000210301 [0,2,0,0,0,0|1,0,1]=4 5023 B12R1.225 CC(c1cccc(c1)Br)N(C)[13CH3] 2230a_100025717457_200025704644 [0,2,0,0,0,0|1,0,1]=4 5024 B12R1.225 CC(c1cccc(c1)Br)N(C)[13CH3] 269982a_100025717457_200025704644 [0,2,0,0,0,0|1,0,1]=4 5025 B12R1.225 CC(c1cccc(c1)F)N(C)C 2230a_100000231114_200000210301 [0,2,0,0,0,0|1,0,1]=4 5026 B12R1.225 CC(c1cccc(c1)F)N(C)C 269982a_100000231114_200000210301 [0,2,0,0,0,0|1,0,1]=4 5027 B12R1.225 CC(c1cccc(c1)F)N(C)C 34a_100000231114_200000210301 [0,2,0,0,0,0|1,0,1]=4 5028 B12R1.225 CC(c1cccc(c1)F)N(C)[13CH3] 2230a_100000231114_200025704644 [0,2,0,0,0,0|1,0,1]=4 5029 B12R1.225 CC(c1cccc(c1)F)N(C)[13CH3] 269982a_100000231114_200025704644 [0,2,0,0,0,0|1,0,1]=4 5030 B12R1.225 CC(c1cccc(c1)F)N(C)[13CH3] 34a_100000231114_200025704644 [0,2,0,0,0,0|1,0,1]=4 5031 B12R1.225 CN(C)C(=O)c1cc(ccn1)O 271570a_203496583355_200000198538 [0,2,0,0,0,0|1,0,0]=3 5032 B12R1.225 CN(C)C(=O)c1cccc(c1)Br 11a_100102631434_100000210664 [0,2,0,0,0,0|0,0,0]=2 5033 B12R1.225 CN(C)C(=O)c1cccc(c1)Br 1626a_100102631434_100000210664 [0,2,0,0,0,0|0,0,0]=2 5034 B12R1.225 CN(C)C(=O)c1cccc(c1)Br 240690a_100102631434_100000210664 [0,2,0,0,0,0|0,0,0]=2 5035 B12R1.225 CN(C)C(=O)c1cccc(c1)Br 527a_100102631434_100000210664 [0,2,0,0,0,0|0,0,0]=2 5036 B12R1.225 CN(C)C(=O)c1cccc(c1)Cl 11a_100102631434_100000210390 [0,2,0,0,0,0|0,0,0]=2 5037 B12R1.225 CN(C)C(=O)c1cccc(c1)Cl 1626a_100102631434_100000210390 [0,2,0,0,0,0|0,0,0]=2 5038 B12R1.225 CN(C)C(=O)c1cccc(c1)Cl 240690a_100102631434_100000210390 [0,2,0,0,0,0|0,0,0]=2 5039 B12R1.225 CN(C)C(=O)c1cccc(c1)Cl 527a_100102631434_100000210390 [0,2,0,0,0,0|0,0,0]=2 5040 B12R1.225 CN(C)C(=O)c1cccc(c1)F 11a_100102631434_100000210950 [0,2,0,0,0,0|0,0,0]=2 5041 B12R1.225 CN(C)C(=O)c1cccc(c1)F 1626a_100102631434_100000210950 [0,2,0,0,0,0|0,0,0]=2 5042 B12R1.225 CN(C)C(=O)c1cccc(c1)F 240690a_100102631434_100000210950 [0,2,0,0,0,0|0,0,0]=2 5043 B12R1.225 CN(C)C(=O)c1cccc(c1)F 527a_100102631434_100000210950 [0,2,0,0,0,0|0,0,0]=2 5044 B12R1.225 CN(C)C(=O)c1cccc(c1)I 11a_100102631434_100000184098 [0,2,0,0,0,0|0,0,0]=2 5045 B12R1.225 CN(C)C(=O)c1cccc(c1)I 1626a_100102631434_100000184098 [0,2,0,0,0,0|0,0,0]=2 5046 B12R1.225 CN(C)C(=O)c1cccc(c1)I 240690a_100102631434_100000184098 [0,2,0,0,0,0|0,0,0]=2 5047 B12R1.225 CN(C)C(=O)c1cccc(c1)I 527a_100102631434_100000184098 [0,2,0,0,0,0|0,0,0]=2 5048 B12R1.225 CN(C)C(=O)c1cccc(c1)O 240690a_100102631434_100000183914 [0,2,0,0,0,0|0,0,0]=2 5049 B12R1.225 CN(C)C(=O)c1cccc(c1)O 271570a_203496583355_100000159571 [0,2,0,0,0,0|0,0,0]=2 5050 B12R1.225 CN(C)C(=O)c1cccc(c1)O 527a_100102631434_100000183914 [0,2,0,0,0,0|0,0,0]=2 5051 B12R1.225 CN(C)C(=O)c1ccnc(c1)O 271570a_203496583355_100000229821 [0,2,0,0,0,0|1,0,0]=3 5052 B12R1.225 CN(C)C(=O)c1cncc(c1)O 271570a_203496583355_200000159598 [0,2,0,0,0,0|1,0,0]=3 5053 B12R1.225 Cc1cccc(c1)C(=O)C(C)C 1458a_100000189346_100000210206 [0,2,0,0,0,0|1,0,0]=3 5054 B12R1.225 Cc1cccc(c1)C(=O)N(C)C 11a_100102631434_100000189346 [0,2,0,0,0,0|0,0,0]=2 5055 B12R1.225 Cc1cccc(c1)C(=O)N(C)C 1626a_100102631434_100000189346 [0,2,0,0,0,0|0,0,0]=2 5056 B12R1.225 Cc1cccc(c1)C(=O)N(C)C 240690a_100102631434_100000189346 [0,2,0,0,0,0|0,0,0]=2 5057 B12R1.225 Cc1cccc(c1)C(=O)N(C)C 527a_100102631434_100000189346 [0,2,0,0,0,0|0,0,0]=2 5058 B12R1.354 CC(N[13CH3])c1cc(ccc1Br)F 2230a_100012343209_200025704644 [0,2,0,0,0,0|1,0,1]=4 5059 B12R1.354 CC(N[13CH3])c1cc(ccc1Br)F 34a_100012343209_200025704644 [0,2,0,0,0,0|1,0,1]=4 5060 B12R1.354 CC(N[13CH3])c1cc(ccc1Cl)Cl 2230a_100000737532_200025704644 [0,2,0,0,0,0|1,0,1]=4 5061 B12R1.354 CC(N[13CH3])c1cc(ccc1Cl)Cl 34a_100000737532_200025704644 [0,2,0,0,0,0|1,0,1]=4 5062 B12R1.354 CC(N[13CH3])c1cc(ccc1F)F 2230a_100000737541_200025704644 [0,2,0,0,0,0|1,0,1]=4 5063 B12R1.354 CC(N[13CH3])c1cc(ccc1F)F 34a_100000737541_200025704644 [0,2,0,0,0,0|1,0,1]=4 5064 B12R1.354 CCC(=O)c1cc(ccc1Br)Br 1458a_100000690610_100000210202 [0,2,0,0,0,0|1,0,0]=3 5065 B12R1.354 CCC(=O)c1cc(ccc1Br)C 1458a_100000689033_100000210202 [0,2,0,0,0,0|1,0,0]=3 5066 B12R1.354 CCC(=O)c1cc(ccc1Br)Cl 1458a_100000736951_100000210202 [0,2,0,0,0,0|1,0,0]=3 5067 B12R1.354 CCC(=O)c1cc(ccc1Br)F 1458a_100000212315_100000210202 [0,2,0,0,0,0|1,0,0]=3 5068 B12R1.354 CCC(=O)c1cc(ccc1Br)I 1458a_100000698340_100000210202 [0,2,0,0,0,0|1,0,0]=3 5069 B12R1.354 CCC(=O)c1cc(ccc1Br)O 1458a_100012352043_100000210202 [0,2,0,0,0,0|1,0,0]=3 5070 B12R1.354 CCC(=O)c1cc(ccc1C)Br 1458a_100000759961_100000210202 [0,2,0,0,0,0|1,0,0]=3 5071 B12R1.354 CCC(=O)c1cc(ccc1C)C 1458a_100000195421_100000210202 [0,2,0,0,0,0|1,0,0]=3 5072 B12R1.354 CCC(=O)c1cc(ccc1C)Cl 1458a_100000692595_100000210202 [0,2,0,0,0,0|1,0,0]=3 5073 B12R1.354 CCC(=O)c1cc(ccc1C)F 1458a_100000240043_100000210202 [0,2,0,0,0,0|1,0,0]=3 5074 B12R1.354 CCC(=O)c1cc(ccc1C)I 1458a_100000688012_100000210202 [0,2,0,0,0,0|1,0,0]=3 5075 B12R1.354 CCC(=O)c1cc(ccc1C)O 1458a_100000687834_100000210202 [0,2,0,0,0,0|1,0,0]=3 5076 B12R1.354 CCC(=O)c1cc(ccc1Cl)Br 1458a_100000211212_100000210202 [0,2,0,0,0,0|1,0,0]=3 5077 B12R1.354 CCC(=O)c1cc(ccc1Cl)C 1458a_100011290873_100000210202 [0,2,0,0,0,0|1,0,0]=3 5078 B12R1.354 CCC(=O)c1cc(ccc1Cl)Cl 1458a_100000210642_100000210202 [0,2,0,0,0,0|1,0,0]=3 5079 B12R1.354 CCC(=O)c1cc(ccc1Cl)F 1458a_100011219680_100000210202 [0,2,0,0,0,0|1,0,0]=3 5080 B12R1.354 CCC(=O)c1cc(ccc1Cl)I 1458a_100000688013_100000210202 [0,2,0,0,0,0|1,0,0]=3 5081 B12R1.354 CCC(=O)c1cc(ccc1Cl)O 1458a_100000719527_100000210202 [0,2,0,0,0,0|1,0,0]=3 5082 B12R1.354 CCC(=O)c1cc(ccc1F)Br 1458a_100000212322_100000210202 [0,2,0,0,0,0|1,0,0]=3 5083 B12R1.354 CCC(=O)c1cc(ccc1F)C 1458a_100000749327_100000210202 [0,2,0,0,0,0|1,0,0]=3 5084 B12R1.354 CCC(=O)c1cc(ccc1F)Cl 1458a_100000214954_100000210202 [0,2,0,0,0,0|1,0,0]=3 5085 B12R1.354 CCC(=O)c1cc(ccc1F)F 1458a_100000198512_100000210202 [0,2,0,0,0,0|1,0,0]=3 5086 B12R1.354 CCC(=O)c1cc(ccc1F)I 1458a_100000688014_100000210202 [0,2,0,0,0,0|1,0,0]=3 5087 B12R1.354 CCC(=O)c1cc(ccc1F)O 1458a_100000037260_100000210202 [0,2,0,0,0,0|1,0,0]=3 5088 B12R1.354 CCC(=O)c1cc(ccc1I)Br 1458a_100000183945_100000210202 [0,2,0,0,0,0|1,0,0]=3 5089 B12R1.354 CCC(=O)c1cc(ccc1I)C 1458a_100000057929_100000210202 [0,2,0,0,0,0|1,0,0]=3 5090 B12R1.354 CCC(=O)c1cc(ccc1I)Cl 1458a_100000739379_100000210202 [0,2,0,0,0,0|1,0,0]=3 5091 B12R1.354 CCC(=O)c1cc(ccc1I)F 1458a_100000748905_100000210202 [0,2,0,0,0,0|1,0,0]=3 5092 B12R1.354 CCC(=O)c1cc(ccc1I)I 1458a_100000750460_100000210202 [0,2,0,0,0,0|1,0,0]=3 5093 B12R1.354 CCC(=O)c1cc(ccc1I)O 1458a_200009995701_100000210202 [0,2,0,0,0,0|1,0,0]=3 5094 B12R1.354 CCC(=O)c1cc(ccc1O)Br 1458a_100000212140_100000210202 [0,2,0,0,0,0|1,0,0]=3 5095 B12R1.354 CCC(=O)c1cc(ccc1O)C 1458a_100000229998_100000210202 [0,2,0,0,0,0|1,0,0]=3 5096 B12R1.354 CCC(=O)c1cc(ccc1O)Cl 1458a_100000212143_100000210202 [0,2,0,0,0,0|1,0,0]=3 5097 B12R1.354 CCC(=O)c1cc(ccc1O)F 1458a_100000742286_100000210202 [0,2,0,0,0,0|1,0,0]=3 5098 B12R1.354 CCC(=O)c1cc(ccc1O)I 1458a_100000212111_100000210202 [0,2,0,0,0,0|1,0,0]=3 5099 B12R1.354 CCC(=O)c1cc(ccc1O)O 1458a_100000758025_100000210202 [0,2,0,0,0,0|1,0,0]=3 5100 B12R1.354 CCC(=O)c1cc(ccc1O)O 271570a_203496583355_100000183607 [0,2,0,0,0,0|1,0,0]=3 5101 B12R1.354 CNC(=O)C1=NC(=O)CC=C1Cl 240690a_100102657272_100009855368 [0,2,0,0,0,0|1,0,1]=4 5102 B12R1.354 CNC(=O)C1=NC(=O)CC=C1Cl 527a_100102657272_100009855368 [0,2,0,0,0,0|1,0,1]=4 5103 B12R1.354 CNC(=O)c1cc(ccc1Br)Br 11a_106832991635_100000690610 [0,2,0,0,0,0|0,0,0]=2 5104 B12R1.354 CNC(=O)c1cc(ccc1Br)Br 1626a_100102657272_100000690610 [0,2,0,0,0,0|0,0,0]=2 5105 B12R1.354 CNC(=O)c1cc(ccc1Br)Br 240690a_100102657272_100000690610 [0,2,0,0,0,0|0,0,0]=2 5106 B12R1.354 CNC(=O)c1cc(ccc1Br)Br 527a_100102657272_100000690610 [0,2,0,0,0,0|0,0,0]=2 5107 B12R1.354 CNC(=O)c1cc(ccc1Br)C 11a_106832991635_100000689033 [0,2,0,0,0,0|0,0,0]=2 5108 B12R1.354 CNC(=O)c1cc(ccc1Br)C 1626a_100102657272_100000689033 [0,2,0,0,0,0|0,0,0]=2 5109 B12R1.354 CNC(=O)c1cc(ccc1Br)C 240690a_100102657272_100000689033 [0,2,0,0,0,0|0,0,0]=2 5110 B12R1.354 CNC(=O)c1cc(ccc1Br)C 527a_100102657272_100000689033 [0,2,0,0,0,0|0,0,0]=2 5111 B12R1.354 CNC(=O)c1cc(ccc1Br)Cl 11a_106832991635_100000736951 [0,2,0,0,0,0|0,0,0]=2 5112 B12R1.354 CNC(=O)c1cc(ccc1Br)Cl 1626a_100102657272_100000736951 [0,2,0,0,0,0|0,0,0]=2 5113 B12R1.354 CNC(=O)c1cc(ccc1Br)Cl 240690a_100102657272_100000736951 [0,2,0,0,0,0|0,0,0]=2 5114 B12R1.354 CNC(=O)c1cc(ccc1Br)Cl 527a_100102657272_100000736951 [0,2,0,0,0,0|0,0,0]=2 5115 B12R1.354 CNC(=O)c1cc(ccc1Br)F 11a_106832991635_100000212315 [0,2,0,0,0,0|0,0,0]=2 5116 B12R1.354 CNC(=O)c1cc(ccc1Br)F 1626a_100102657272_100000212315 [0,2,0,0,0,0|0,0,0]=2 5117 B12R1.354 CNC(=O)c1cc(ccc1Br)F 240690a_100102657272_100000212315 [0,2,0,0,0,0|0,0,0]=2 5118 B12R1.354 CNC(=O)c1cc(ccc1Br)F 527a_100102657272_100000212315 [0,2,0,0,0,0|0,0,0]=2 5119 B12R1.354 CNC(=O)c1cc(ccc1Br)I 11a_106832991635_100000698340 [0,2,0,0,0,0|0,0,0]=2 5120 B12R1.354 CNC(=O)c1cc(ccc1Br)I 1626a_100102657272_100000698340 [0,2,0,0,0,0|0,0,0]=2 5121 B12R1.354 CNC(=O)c1cc(ccc1Br)I 240690a_100102657272_100000698340 [0,2,0,0,0,0|0,0,0]=2 5122 B12R1.354 CNC(=O)c1cc(ccc1Br)I 527a_100102657272_100000698340 [0,2,0,0,0,0|0,0,0]=2 5123 B12R1.354 CNC(=O)c1cc(ccc1Br)O 240690a_100102657272_100012352043 [0,2,0,0,0,0|0,0,0]=2 5124 B12R1.354 CNC(=O)c1cc(ccc1Br)O 527a_100102657272_100012352043 [0,2,0,0,0,0|0,0,0]=2 5125 B12R1.354 CNC(=O)c1cc(ccc1C)Br 11a_106832991635_100000759961 [0,2,0,0,0,0|0,0,0]=2 5126 B12R1.354 CNC(=O)c1cc(ccc1C)Br 1626a_100102657272_100000759961 [0,2,0,0,0,0|0,0,0]=2 5127 B12R1.354 CNC(=O)c1cc(ccc1C)Br 240690a_100102657272_100000759961 [0,2,0,0,0,0|0,0,0]=2 5128 B12R1.354 CNC(=O)c1cc(ccc1C)Br 527a_100102657272_100000759961 [0,2,0,0,0,0|0,0,0]=2 5129 B12R1.354 CNC(=O)c1cc(ccc1C)C 11a_106832991635_100000195421 [0,2,0,0,0,0|0,0,0]=2 5130 B12R1.354 CNC(=O)c1cc(ccc1C)C 1626a_100102657272_100000195421 [0,2,0,0,0,0|0,0,0]=2 5131 B12R1.354 CNC(=O)c1cc(ccc1C)C 240690a_100102657272_100000195421 [0,2,0,0,0,0|0,0,0]=2 5132 B12R1.354 CNC(=O)c1cc(ccc1C)C 527a_100102657272_100000195421 [0,2,0,0,0,0|0,0,0]=2 5133 B12R1.354 CNC(=O)c1cc(ccc1C)Cl 11a_106832991635_100000692595 [0,2,0,0,0,0|0,0,0]=2 5134 B12R1.354 CNC(=O)c1cc(ccc1C)Cl 1626a_100102657272_100000692595 [0,2,0,0,0,0|0,0,0]=2 5135 B12R1.354 CNC(=O)c1cc(ccc1C)Cl 240690a_100102657272_100000692595 [0,2,0,0,0,0|0,0,0]=2 5136 B12R1.354 CNC(=O)c1cc(ccc1C)Cl 527a_100102657272_100000692595 [0,2,0,0,0,0|0,0,0]=2 5137 B12R1.354 CNC(=O)c1cc(ccc1C)F 11a_106832991635_100000240043 [0,2,0,0,0,0|0,0,0]=2 5138 B12R1.354 CNC(=O)c1cc(ccc1C)F 1626a_100102657272_100000240043 [0,2,0,0,0,0|0,0,0]=2 5139 B12R1.354 CNC(=O)c1cc(ccc1C)F 240690a_100102657272_100000240043 [0,2,0,0,0,0|0,0,0]=2 5140 B12R1.354 CNC(=O)c1cc(ccc1C)F 527a_100102657272_100000240043 [0,2,0,0,0,0|0,0,0]=2 5141 B12R1.354 CNC(=O)c1cc(ccc1C)I 11a_106832991635_100000688012 [0,2,0,0,0,0|0,0,0]=2 5142 B12R1.354 CNC(=O)c1cc(ccc1C)I 1626a_100102657272_100000688012 [0,2,0,0,0,0|0,0,0]=2 5143 B12R1.354 CNC(=O)c1cc(ccc1C)I 240690a_100102657272_100000688012 [0,2,0,0,0,0|0,0,0]=2 5144 B12R1.354 CNC(=O)c1cc(ccc1C)I 527a_100102657272_100000688012 [0,2,0,0,0,0|0,0,0]=2 5145 B12R1.354 CNC(=O)c1cc(ccc1C)O 240690a_100102657272_100000687834 [0,2,0,0,0,0|0,0,0]=2 5146 B12R1.354 CNC(=O)c1cc(ccc1Cl)Br 11a_106832991635_100000211212 [0,2,0,0,0,0|0,0,0]=2 5147 B12R1.354 CNC(=O)c1cc(ccc1Cl)Br 1626a_100102657272_100000211212 [0,2,0,0,0,0|0,0,0]=2 5148 B12R1.354 CNC(=O)c1cc(ccc1Cl)Br 240690a_100102657272_100000211212 [0,2,0,0,0,0|0,0,0]=2 5149 B12R1.354 CNC(=O)c1cc(ccc1Cl)Br 527a_100102657272_100000211212 [0,2,0,0,0,0|0,0,0]=2 5150 B12R1.354 CNC(=O)c1cc(ccc1Cl)C 11a_106832991635_100011290873 [0,2,0,0,0,0|0,0,0]=2 5151 B12R1.354 CNC(=O)c1cc(ccc1Cl)C 1626a_100102657272_100011290873 [0,2,0,0,0,0|0,0,0]=2 5152 B12R1.354 CNC(=O)c1cc(ccc1Cl)C 240690a_100102657272_100011290873 [0,2,0,0,0,0|0,0,0]=2 5153 B12R1.354 CNC(=O)c1cc(ccc1Cl)C 527a_100102657272_100011290873 [0,2,0,0,0,0|0,0,0]=2 5154 B12R1.354 CNC(=O)c1cc(ccc1Cl)Cl 11a_106832991635_100000210642 [0,2,0,0,0,0|0,0,0]=2 5155 B12R1.354 CNC(=O)c1cc(ccc1Cl)Cl 1626a_100102657272_100000210642 [0,2,0,0,0,0|0,0,0]=2 5156 B12R1.354 CNC(=O)c1cc(ccc1Cl)Cl 240690a_100102657272_100000210642 [0,2,0,0,0,0|0,0,0]=2 5157 B12R1.354 CNC(=O)c1cc(ccc1Cl)Cl 527a_100102657272_100000210642 [0,2,0,0,0,0|0,0,0]=2 5158 B12R1.354 CNC(=O)c1cc(ccc1Cl)F 11a_106832991635_100011219680 [0,2,0,0,0,0|0,0,0]=2 5159 B12R1.354 CNC(=O)c1cc(ccc1Cl)F 1626a_100102657272_100011219680 [0,2,0,0,0,0|0,0,0]=2 5160 B12R1.354 CNC(=O)c1cc(ccc1Cl)F 240690a_100102657272_100011219680 [0,2,0,0,0,0|0,0,0]=2 5161 B12R1.354 CNC(=O)c1cc(ccc1Cl)F 527a_100102657272_100011219680 [0,2,0,0,0,0|0,0,0]=2 5162 B12R1.354 CNC(=O)c1cc(ccc1Cl)I 11a_106832991635_100000688013 [0,2,0,0,0,0|0,0,0]=2 5163 B12R1.354 CNC(=O)c1cc(ccc1Cl)I 1626a_100102657272_100000688013 [0,2,0,0,0,0|0,0,0]=2 5164 B12R1.354 CNC(=O)c1cc(ccc1Cl)I 240690a_100102657272_100000688013 [0,2,0,0,0,0|0,0,0]=2 5165 B12R1.354 CNC(=O)c1cc(ccc1Cl)I 527a_100102657272_100000688013 [0,2,0,0,0,0|0,0,0]=2 5166 B12R1.354 CNC(=O)c1cc(ccc1Cl)O 240690a_100102657272_100000719527 [0,2,0,0,0,0|0,0,0]=2 5167 B12R1.354 CNC(=O)c1cc(ccc1Cl)O 527a_100102657272_100000719527 [0,2,0,0,0,0|0,0,0]=2 5168 B12R1.354 CNC(=O)c1cc(ccc1F)Br 11a_106832991635_100000212322 [0,2,0,0,0,0|0,0,0]=2 5169 B12R1.354 CNC(=O)c1cc(ccc1F)Br 1626a_100102657272_100000212322 [0,2,0,0,0,0|0,0,0]=2 5170 B12R1.354 CNC(=O)c1cc(ccc1F)Br 240690a_100102657272_100000212322 [0,2,0,0,0,0|0,0,0]=2 5171 B12R1.354 CNC(=O)c1cc(ccc1F)Br 527a_100102657272_100000212322 [0,2,0,0,0,0|0,0,0]=2 5172 B12R1.354 CNC(=O)c1cc(ccc1F)C 11a_106832991635_100000749327 [0,2,0,0,0,0|0,0,0]=2 5173 B12R1.354 CNC(=O)c1cc(ccc1F)C 1626a_100102657272_100000749327 [0,2,0,0,0,0|0,0,0]=2 5174 B12R1.354 CNC(=O)c1cc(ccc1F)C 240690a_100102657272_100000749327 [0,2,0,0,0,0|0,0,0]=2 5175 B12R1.354 CNC(=O)c1cc(ccc1F)C 527a_100102657272_100000749327 [0,2,0,0,0,0|0,0,0]=2 5176 B12R1.354 CNC(=O)c1cc(ccc1F)Cl 11a_106832991635_100000214954 [0,2,0,0,0,0|0,0,0]=2 5177 B12R1.354 CNC(=O)c1cc(ccc1F)Cl 1626a_100102657272_100000214954 [0,2,0,0,0,0|0,0,0]=2 5178 B12R1.354 CNC(=O)c1cc(ccc1F)Cl 240690a_100102657272_100000214954 [0,2,0,0,0,0|0,0,0]=2 5179 B12R1.354 CNC(=O)c1cc(ccc1F)Cl 527a_100102657272_100000214954 [0,2,0,0,0,0|0,0,0]=2 5180 B12R1.354 CNC(=O)c1cc(ccc1F)F 11a_106832991635_100000198512 [0,2,0,0,0,0|0,0,0]=2 5181 B12R1.354 CNC(=O)c1cc(ccc1F)F 1626a_100102657272_100000198512 [0,2,0,0,0,0|0,0,0]=2 5182 B12R1.354 CNC(=O)c1cc(ccc1F)F 240690a_100102657272_100000198512 [0,2,0,0,0,0|0,0,0]=2 5183 B12R1.354 CNC(=O)c1cc(ccc1F)F 527a_100102657272_100000198512 [0,2,0,0,0,0|0,0,0]=2 5184 B12R1.354 CNC(=O)c1cc(ccc1F)I 11a_106832991635_100000688014 [0,2,0,0,0,0|0,0,0]=2 5185 B12R1.354 CNC(=O)c1cc(ccc1F)I 1626a_100102657272_100000688014 [0,2,0,0,0,0|0,0,0]=2 5186 B12R1.354 CNC(=O)c1cc(ccc1F)I 240690a_100102657272_100000688014 [0,2,0,0,0,0|0,0,0]=2 5187 B12R1.354 CNC(=O)c1cc(ccc1F)I 527a_100102657272_100000688014 [0,2,0,0,0,0|0,0,0]=2 5188 B12R1.354 CNC(=O)c1cc(ccc1F)O 240690a_100102657272_100000037260 [0,2,0,0,0,0|0,0,0]=2 5189 B12R1.354 CNC(=O)c1cc(ccc1F)O 271570a_203496583355_100000155058 [0,2,0,0,0,0|0,0,0]=2 5190 B12R1.354 CNC(=O)c1cc(ccc1F)O 527a_100102657272_100000037260 [0,2,0,0,0,0|0,0,0]=2 5191 B12R1.354 CNC(=O)c1cc(ccc1I)Br 11a_106832991635_100000183945 [0,2,0,0,0,0|0,0,0]=2 5192 B12R1.354 CNC(=O)c1cc(ccc1I)Br 1626a_100102657272_100000183945 [0,2,0,0,0,0|0,0,0]=2 5193 B12R1.354 CNC(=O)c1cc(ccc1I)Br 240690a_100102657272_100000183945 [0,2,0,0,0,0|0,0,0]=2 5194 B12R1.354 CNC(=O)c1cc(ccc1I)C 11a_106832991635_100000057929 [0,2,0,0,0,0|0,0,0]=2 5195 B12R1.354 CNC(=O)c1cc(ccc1I)C 1626a_100102657272_100000057929 [0,2,0,0,0,0|0,0,0]=2 5196 B12R1.354 CNC(=O)c1cc(ccc1I)C 240690a_100102657272_100000057929 [0,2,0,0,0,0|0,0,0]=2 5197 B12R1.354 CNC(=O)c1cc(ccc1I)C 527a_100102657272_100000057929 [0,2,0,0,0,0|0,0,0]=2 5198 B12R1.354 CNC(=O)c1cc(ccc1I)Cl 11a_106832991635_100000739379 [0,2,0,0,0,0|0,0,0]=2 5199 B12R1.354 CNC(=O)c1cc(ccc1I)Cl 1626a_100102657272_100000739379 [0,2,0,0,0,0|0,0,0]=2 5200 B12R1.354 CNC(=O)c1cc(ccc1I)Cl 240690a_100102657272_100000739379 [0,2,0,0,0,0|0,0,0]=2 5201 B12R1.354 CNC(=O)c1cc(ccc1I)Cl 527a_100102657272_100000739379 [0,2,0,0,0,0|0,0,0]=2 5202 B12R1.354 CNC(=O)c1cc(ccc1I)F 11a_106832991635_100000748905 [0,2,0,0,0,0|0,0,0]=2 5203 B12R1.354 CNC(=O)c1cc(ccc1I)F 1626a_100102657272_100000748905 [0,2,0,0,0,0|0,0,0]=2 5204 B12R1.354 CNC(=O)c1cc(ccc1I)F 240690a_100102657272_100000748905 [0,2,0,0,0,0|0,0,0]=2 5205 B12R1.354 CNC(=O)c1cc(ccc1I)F 527a_100102657272_100000748905 [0,2,0,0,0,0|0,0,0]=2 5206 B12R1.354 CNC(=O)c1cc(ccc1I)I 11a_106832991635_100000750460 [0,2,0,0,0,0|0,0,0]=2 5207 B12R1.354 CNC(=O)c1cc(ccc1I)I 1626a_100102657272_100000750460 [0,2,0,0,0,0|0,0,0]=2 5208 B12R1.354 CNC(=O)c1cc(ccc1I)I 240690a_100102657272_100000750460 [0,2,0,0,0,0|0,0,0]=2 5209 B12R1.354 CNC(=O)c1cc(ccc1I)I 527a_100102657272_100000750460 [0,2,0,0,0,0|0,0,0]=2 5210 B12R1.354 CNC(=O)c1cc(ccc1I)O 1626a_100102657272_200009995701 [0,2,0,0,0,0|0,0,0]=2 5211 B12R1.354 CNC(=O)c1cc(ccc1I)O 240690a_100102657272_200009995701 [0,2,0,0,0,0|0,0,0]=2 5212 B12R1.354 CNC(=O)c1cc(ccc1I)O 527a_100102657272_200009995701 [0,2,0,0,0,0|0,0,0]=2 5213 B12R1.354 CNC(=O)c1cc(ccc1N)O 271570a_203496583355_100000690504 [0,2,0,0,0,0|0,0,0]=2 5214 B12R1.354 CNC(=O)c1cc(ccc1O)Br 1626a_100102657272_100000212140 [0,2,0,0,0,0|0,0,0]=2 5215 B12R1.354 CNC(=O)c1cc(ccc1O)Br 240690a_100102657272_100000212140 [0,2,0,0,0,0|0,0,0]=2 5216 B12R1.354 CNC(=O)c1cc(ccc1O)Br 527a_100102657272_100000212140 [0,2,0,0,0,0|0,0,0]=2 5217 B12R1.354 CNC(=O)c1cc(ccc1O)C 240690a_100102657272_100000229998 [0,2,0,0,0,0|0,0,0]=2 5218 B12R1.354 CNC(=O)c1cc(ccc1O)C 527a_100102657272_100000229998 [0,2,0,0,0,0|0,0,0]=2 5219 B12R1.354 CNC(=O)c1cc(ccc1O)Cl 11a_106832991635_100000212143 [0,2,0,0,0,0|0,0,0]=2 5220 B12R1.354 CNC(=O)c1cc(ccc1O)Cl 1626a_100102657272_100000212143 [0,2,0,0,0,0|0,0,0]=2 5221 B12R1.354 CNC(=O)c1cc(ccc1O)Cl 240690a_100102657272_100000212143 [0,2,0,0,0,0|0,0,0]=2 5222 B12R1.354 CNC(=O)c1cc(ccc1O)Cl 271570a_203496583355_200011279454 [0,2,0,0,0,0|0,0,0]=2 5223 B12R1.354 CNC(=O)c1cc(ccc1O)Cl 527a_100102657272_100000212143 [0,2,0,0,0,0|0,0,0]=2 5224 B12R1.354 CNC(=O)c1cc(ccc1O)F 240690a_100102657272_100000742286 [0,2,0,0,0,0|0,0,0]=2 5225 B12R1.354 CNC(=O)c1cc(ccc1O)F 271570a_203496583355_200000206232 [0,2,0,0,0,0|0,0,0]=2 5226 B12R1.354 CNC(=O)c1cc(ccc1O)F 527a_100102657272_100000742286 [0,2,0,0,0,0|0,0,0]=2 5227 B12R1.354 CNC(=O)c1cc(ccc1O)I 240690a_100102657272_100000212111 [0,2,0,0,0,0|0,0,0]=2 5228 B12R1.354 CNC(=O)c1cc(ccc1O)I 527a_100102657272_100000212111 [0,2,0,0,0,0|0,0,0]=2 5229 B12R1.354 CNC(C)c1cc(ccc1Br)Br 269862a_106832991636_100011206948 [0,2,0,0,0,0|1,0,1]=4 5230 B12R1.354 CNC(C)c1cc(ccc1Br)C 269862a_106832991636_100012361225 [0,2,0,0,0,0|1,0,1]=4 5231 B12R1.354 CNC(C)c1cc(ccc1Br)Cl 269862a_106832991636_100012361343 [0,2,0,0,0,0|1,0,1]=4 5232 B12R1.354 CNC(C)c1cc(ccc1Br)F 2230a_100012343209_200000210301 [0,2,0,0,0,0|1,0,1]=4 5233 B12R1.354 CNC(C)c1cc(ccc1Br)F 269862a_106832991636_100012353695 [0,2,0,0,0,0|1,0,1]=4 5234 B12R1.354 CNC(C)c1cc(ccc1Br)F 34a_100012343209_200000210301 [0,2,0,0,0,0|1,0,1]=4 5235 B12R1.354 CNC(C)c1cc(ccc1C)Br 269862a_106832991636_100012706819 [0,2,0,0,0,0|1,0,1]=4 5236 B12R1.354 CNC(C)c1cc(ccc1C)C 269862a_106832991636_100000211711 [0,2,0,0,0,0|1,0,1]=4 5237 B12R1.354 CNC(C)c1cc(ccc1C)Cl 269862a_106832991636_100012002457 [0,2,0,0,0,0|1,0,1]=4 5238 B12R1.354 CNC(C)c1cc(ccc1C)F 2230a_100011191733_200000210301 [0,2,0,0,0,0|1,0,1]=4 5239 B12R1.354 CNC(C)c1cc(ccc1C)F 269862a_106832991636_100011220403 [0,2,0,0,0,0|1,0,1]=4 5240 B12R1.354 CNC(C)c1cc(ccc1C)F 34a_100011191733_200000210301 [0,2,0,0,0,0|1,0,1]=4 5241 B12R1.354 CNC(C)c1cc(ccc1Cl)Br 269862a_106832991636_100011934286 [0,2,0,0,0,0|1,0,1]=4 5242 B12R1.354 CNC(C)c1cc(ccc1Cl)Cl 2230a_100000737532_200000210301 [0,2,0,0,0,0|1,0,1]=4 5243 B12R1.354 CNC(C)c1cc(ccc1Cl)Cl 269862a_106832991636_100000184594 [0,2,0,0,0,0|1,0,1]=4 5244 B12R1.354 CNC(C)c1cc(ccc1Cl)Cl 34a_100000737532_200000210301 [0,2,0,0,0,0|1,0,1]=4 5245 B12R1.354 CNC(C)c1cc(ccc1Cl)F 269862a_106832991636_100011218795 [0,2,0,0,0,0|1,0,1]=4 5246 B12R1.354 CNC(C)c1cc(ccc1Cl)I 269862a_106832991636_100010712560 [0,2,0,0,0,0|1,0,1]=4 5247 B12R1.354 CNC(C)c1cc(ccc1F)Br 269862a_106832991636_100000689017 [0,2,0,0,0,0|1,0,1]=4 5248 B12R1.354 CNC(C)c1cc(ccc1F)C 269862a_106832991636_100000760338 [0,2,0,0,0,0|1,0,1]=4 5249 B12R1.354 CNC(C)c1cc(ccc1F)Cl 269862a_106832991636_100011218796 [0,2,0,0,0,0|1,0,1]=4 5250 B12R1.354 CNC(C)c1cc(ccc1F)F 2230a_100000737541_200000210301 [0,2,0,0,0,0|1,0,1]=4 5251 B12R1.354 CNC(C)c1cc(ccc1F)F 269862a_106832991636_100000185199 [0,2,0,0,0,0|1,0,1]=4 5252 B12R1.354 CNC(C)c1cc(ccc1F)F 34a_100000737541_200000210301 [0,2,0,0,0,0|1,0,1]=4 5253 B12R1.354 CNC(C)c1cc(ccc1F)I 269862a_106832991636_100010254839 [0,2,0,0,0,0|1,0,1]=4 5254 B12R1.354 CNC(C)c1cc(ccc1I)Br 269862a_106832991636_100012349576 [0,2,0,0,0,0|1,0,1]=4 5255 B12R1.354 CNC(C)c1cc(ccc1I)F 269862a_106832991636_100010200798 [0,2,0,0,0,0|1,0,1]=4 5256 B12R1.354 CNC(C)c1cc(ccc1O)Br 269862a_106832991636_100000212127 [0,2,0,0,0,0|1,0,1]=4 5257 B12R1.354 CNC(C)c1cc(ccc1O)C 269862a_106832991636_100000195442 [0,2,0,0,0,0|1,0,1]=4 5258 B12R1.354 CNC(C)c1cc(ccc1O)Cl 269862a_106832991636_100000185566 [0,2,0,0,0,0|1,0,1]=4 5259 B12R1.354 CNC(C)c1cc(ccc1O)F 269862a_106832991636_100000182812 [0,2,0,0,0,0|1,0,1]=4 5260 B12R1.354 CNC(C)c1cc(ccc1O)I 269862a_106832991636_100010712555 [0,2,0,0,0,0|1,0,1]=4 5261 B12R1.354 CN[C@@H](C)c1cc(ccc1C)C 2230a_100000695983_200000210301 [0,2,0,0,0,0|1,0,1]=4 5262 B12R1.354 CN[C@@H](C)c1cc(ccc1C)C 34a_100000695983_200000210301 [0,2,0,0,0,0|1,0,1]=4 5263 B12R1.354 CN[C@@H](C)c1cc(ccc1F)Cl 2230a_100000695052_200000210301 [0,2,0,0,0,0|1,0,1]=4 5264 B12R1.354 CN[C@@H](C)c1cc(ccc1F)Cl 34a_100000695052_200000210301 [0,2,0,0,0,0|1,0,1]=4 5265 B12R1.354 CN[C@@H](C)c1cc(ccc1O)F 2230a_100160469477_200000210301 [0,2,0,0,0,0|1,0,1]=4 5266 B12R1.354 CN[C@@H](C)c1cc(ccc1O)F 34a_100160469477_200000210301 [0,2,0,0,0,0|1,0,1]=4 5267 B12R1.354 CN[C@H](C)c1cc(ccc1O)Cl 2230a_100011853016_200000210301 [0,2,0,0,0,0|1,0,1]=4 5268 B12R1.354 CN[C@H](C)c1cc(ccc1O)Cl 34a_100011853016_200000210301 [0,2,0,0,0,0|1,0,1]=4 5269 B12R1.354 COC(=O)c1cc(c[nH]c1=O)O 271570a_203496583355_100009816710 [0,2,0,0,0,0|2,0,0]=4 5270 B12R1.354 COC(=O)c1cc(ccc1Br)O 271570a_203496583355_100012340073 [0,2,0,0,0,0|1,0,0]=3 5271 B12R1.354 COC(=O)c1cc(ccc1C)O 271570a_203496583355_100012360116 [0,2,0,0,0,0|1,0,0]=3 5272 B12R1.354 COC(=O)c1cc(ccc1Cl)O 271570a_203496583355_100012353682 [0,2,0,0,0,0|1,0,0]=3 5273 B12R1.354 COC(=O)c1cc(ccc1F)O 271570a_203496583355_100000154357 [0,2,0,0,0,0|1,0,0]=3 5274 B12R1.354 COC(=O)c1cc(ccc1N)O 271570a_203496583355_100000212070 [0,2,0,0,0,0|1,0,0]=3 5275 B12R1.354 COC(=O)c1cc(ccc1O)Br 271570a_203496583355_100000148213 [0,2,0,0,0,0|1,0,0]=3 5276 B12R1.354 COC(=O)c1cc(ccc1O)C 271570a_203496583355_100012339458 [0,2,0,0,0,0|1,0,0]=3 5277 B12R1.354 COC(=O)c1cc(ccc1O)Cl 271570a_203496583355_100011294804 [0,2,0,0,0,0|1,0,0]=3 5278 B12R1.354 COC(=O)c1cc(ccc1O)F 271570a_203496583355_100000205820 [0,2,0,0,0,0|1,0,0]=3 5279 B12R1.354 COC(=O)c1cc(ccc1O)N 271570a_203496583355_100000696289 [0,2,0,0,0,0|1,0,0]=3 5280 B12R1.354 COC(=O)c1cc(ccc1O)O 271570a_203496583355_100000149868 [0,2,0,0,0,0|1,0,0]=3 5281 B12R1.354 COC(=O)c1cc(ccc1O)O 271570a_203496583355_100010230369 [0,2,0,0,0,0|1,0,0]=3 5282 B12R1.354 COC(=O)c1cc(cnc1C)O 271570a_203496583355_100010180201 [0,2,0,0,0,0|2,0,0]=4 5283 B12R1.354 COC(=O)c1cc(cnc1F)O 271570a_203496583355_100010243567 [0,2,0,0,0,0|2,0,0]=4 5284 B12R1.354 COC(=O)c1cc(cnc1N)O 271570a_203496583355_100009816750 [0,2,0,0,0,0|2,0,0]=4 5285 B12R1.354 COC(=O)c1cc(cnc1O)C 271570a_203496583355_100000085774 [0,2,0,0,0,0|2,0,0]=4 5286 B12R1.354 COC(=O)c1cc(cnc1O)F 271570a_203496583355_100012000215 [0,2,0,0,0,0|2,0,0]=4 5287 B12R1.354 COC(=O)c1cc(cnc1O)N 271570a_203496583355_200012182668 [0,2,0,0,0,0|2,0,0]=4 5288 B12R1.354 COC(=O)c1cc(ncc1C)O 271570a_203496583355_100009858526 [0,2,0,0,0,0|2,0,0]=4 5289 B12R1.354 COC(=O)c1cc(ncc1F)O 271570a_203496583355_100010218257 [0,2,0,0,0,0|2,0,0]=4 5290 B12R1.354 COC(=O)c1cc(ncc1N)O 271570a_203496583355_100012180746 [0,2,0,0,0,0|2,0,0]=4 5291 B12R1.354 COC(=O)c1cc(ncc1O)N 271570a_203496583355_100011934820 [0,2,0,0,0,0|2,0,0]=4 5292 B12R1.354 COC(=O)c1cc(ncc1O)O 271570a_203496583355_100009816900 [0,2,0,0,0,0|2,0,0]=4 5293 B12R1.354 COC(=O)c1cc(ncc1O)O 271570a_203496583355_100010136202 [0,2,0,0,0,0|2,0,0]=4 5294 B12R1.354 COC(=O)c1nc(ccc1C)O 271570a_203496583355_100000117997 [0,2,0,0,0,0|2,0,0]=4 5295 B12R1.354 COC(=O)c1nc(ccc1F)O 271570a_203496583355_100000697719 [0,2,0,0,0,0|2,0,0]=4 5296 B12R1.354 COC(=O)c1nc(ccc1N)O 271570a_203496583355_100009860768 [0,2,0,0,0,0|2,0,0]=4 5297 B12R1.354 COC(=O)c1nc(ccc1O)N 271570a_203496583355_100009816986 [0,2,0,0,0,0|2,0,0]=4 5298 B12R1.354 COC(=O)c1nc(ccc1O)O 271570a_203496583355_100000697862 [0,2,0,0,0,0|2,0,0]=4 5299 B12R1.354 COC(=O)c1nc(ccc1O)O 271570a_203496583355_100010189638 [0,2,0,0,0,0|2,0,0]=4 5300 B12R1.354 C[C@@H](N[13CH3])c1cc(ccc1O)Cl 2230a_100011853016_200025704644 [0,2,0,0,0,0|1,0,1]=4 5301 B12R1.354 C[C@@H](N[13CH3])c1cc(ccc1O)Cl 34a_100011853016_200025704644 [0,2,0,0,0,0|1,0,1]=4 5302 B12R1.354 C[C@H](N[13CH3])c1cc(ccc1F)Cl 2230a_100000695052_200025704644 [0,2,0,0,0,0|1,0,1]=4 5303 B12R1.354 C[C@H](N[13CH3])c1cc(ccc1F)Cl 34a_100000695052_200025704644 [0,2,0,0,0,0|1,0,1]=4 5304 B12R1.354 C[C@H](N[13CH3])c1cc(ccc1O)F 2230a_100160469477_200025704644 [0,2,0,0,0,0|1,0,1]=4 5305 B12R1.354 C[C@H](N[13CH3])c1cc(ccc1O)F 34a_100160469477_200025704644 [0,2,0,0,0,0|1,0,1]=4 5306 B12R1.354 Cc1ccc(c(c1)C(=O)CF)Br 1458a_100000689033_100015361967 [0,2,0,0,0,0|2,0,0]=4 5307 B12R1.354 Cc1ccc(c(c1)C(=O)CF)C 1458a_100000195421_100015361967 [0,2,0,0,0,0|2,0,0]=4 5308 B12R1.354 Cc1ccc(c(c1)C(=O)CF)Cl 1458a_100011290873_100015361967 [0,2,0,0,0,0|2,0,0]=4 5309 B12R1.354 Cc1ccc(c(c1)C(=O)CF)F 1458a_100000749327_100015361967 [0,2,0,0,0,0|2,0,0]=4 5310 B12R1.354 Cc1ccc(c(c1)C(=O)CF)I 1458a_100000057929_100015361967 [0,2,0,0,0,0|2,0,0]=4 5311 B12R1.354 Cc1ccc(c(c1)C(=O)CF)O 1458a_100000229998_100015361967 [0,2,0,0,0,0|2,0,0]=4 5312 B12R1.354 Cc1ccc(c(c1)[C@H](C)N[13CH3])C 2230a_100000695983_200025704644 [0,2,0,0,0,0|1,0,1]=4 5313 B12R1.354 Cc1ccc(c(c1)[C@H](C)N[13CH3])C 34a_100000695983_200025704644 [0,2,0,0,0,0|1,0,1]=4 5314 B12R1.354 Cc1ccc(cc1C(=O)CF)Br 1458a_100000759961_100015361967 [0,2,0,0,0,0|2,0,0]=4 5315 B12R1.354 Cc1ccc(cc1C(=O)CF)Cl 1458a_100000692595_100015361967 [0,2,0,0,0,0|2,0,0]=4 5316 B12R1.354 Cc1ccc(cc1C(=O)CF)F 1458a_100000240043_100015361967 [0,2,0,0,0,0|2,0,0]=4 5317 B12R1.354 Cc1ccc(cc1C(=O)CF)I 1458a_100000688012_100015361967 [0,2,0,0,0,0|2,0,0]=4 5318 B12R1.354 Cc1ccc(cc1C(=O)CF)O 1458a_100000687834_100015361967 [0,2,0,0,0,0|2,0,0]=4 5319 B12R1.354 Cc1ccc(cc1C(C)N[13CH3])F 2230a_100011191733_200025704644 [0,2,0,0,0,0|1,0,1]=4 5320 B12R1.354 Cc1ccc(cc1C(C)N[13CH3])F 34a_100011191733_200025704644 [0,2,0,0,0,0|1,0,1]=4 5321 B12R1.354 NNC(=O)c1cc(ccc1Br)O 271570a_203496583355_200011356971 [0,2,0,0,0,0|1,0,0]=3 5322 B12R1.354 NNC(=O)c1cc(ccc1Cl)O 271570a_203496583355_200000049959 [0,2,0,0,0,0|1,0,0]=3 5323 B12R1.354 NNC(=O)c1cc(ccc1O)F 271570a_203496583355_100000205862 [0,2,0,0,0,0|1,0,0]=3 5324 B12R1.354 NNC(=O)c1cc(ccc1O)O 271570a_203496583355_100000193350 [0,2,0,0,0,0|1,0,0]=3 5325 B12R1.354 O=C(CF)c1cc(ccc1Br)Br 1458a_100000690610_100015361967 [0,2,0,0,0,0|2,0,0]=4 5326 B12R1.354 O=C(CF)c1cc(ccc1Br)Cl 1458a_100000736951_100015361967 [0,2,0,0,0,0|2,0,0]=4 5327 B12R1.354 O=C(CF)c1cc(ccc1Br)F 1458a_100000212315_100015361967 [0,2,0,0,0,0|2,0,0]=4 5328 B12R1.354 O=C(CF)c1cc(ccc1Br)I 1458a_100000698340_100015361967 [0,2,0,0,0,0|2,0,0]=4 5329 B12R1.354 O=C(CF)c1cc(ccc1Br)O 1458a_100012352043_100015361967 [0,2,0,0,0,0|2,0,0]=4 5330 B12R1.354 O=C(CF)c1cc(ccc1Cl)Br 1458a_100000211212_100015361967 [0,2,0,0,0,0|2,0,0]=4 5331 B12R1.354 O=C(CF)c1cc(ccc1Cl)Cl 1458a_100000210642_100015361967 [0,2,0,0,0,0|2,0,0]=4 5332 B12R1.354 O=C(CF)c1cc(ccc1Cl)F 1458a_100011219680_100015361967 [0,2,0,0,0,0|2,0,0]=4 5333 B12R1.354 O=C(CF)c1cc(ccc1Cl)I 1458a_100000688013_100015361967 [0,2,0,0,0,0|2,0,0]=4 5334 B12R1.354 O=C(CF)c1cc(ccc1Cl)O 1458a_100000719527_100015361967 [0,2,0,0,0,0|2,0,0]=4 5335 B12R1.354 O=C(CF)c1cc(ccc1F)Br 1458a_100000212322_100015361967 [0,2,0,0,0,0|2,0,0]=4 5336 B12R1.354 O=C(CF)c1cc(ccc1F)Cl 1458a_100000214954_100015361967 [0,2,0,0,0,0|2,0,0]=4 5337 B12R1.354 O=C(CF)c1cc(ccc1F)F 1458a_100000198512_100015361967 [0,2,0,0,0,0|2,0,0]=4 5338 B12R1.354 O=C(CF)c1cc(ccc1F)I 1458a_100000688014_100015361967 [0,2,0,0,0,0|2,0,0]=4 5339 B12R1.354 O=C(CF)c1cc(ccc1F)O 1458a_100000037260_100015361967 [0,2,0,0,0,0|2,0,0]=4 5340 B12R1.354 O=C(CF)c1cc(ccc1I)Br 1458a_100000183945_100015361967 [0,2,0,0,0,0|2,0,0]=4 5341 B12R1.354 O=C(CF)c1cc(ccc1I)Cl 1458a_100000739379_100015361967 [0,2,0,0,0,0|2,0,0]=4 5342 B12R1.354 O=C(CF)c1cc(ccc1I)F 1458a_100000748905_100015361967 [0,2,0,0,0,0|2,0,0]=4 5343 B12R1.354 O=C(CF)c1cc(ccc1I)I 1458a_100000750460_100015361967 [0,2,0,0,0,0|2,0,0]=4 5344 B12R1.354 O=C(CF)c1cc(ccc1I)O 1458a_200009995701_100015361967 [0,2,0,0,0,0|2,0,0]=4 5345 B12R1.354 O=C(CF)c1cc(ccc1O)Br 1458a_100000212140_100015361967 [0,2,0,0,0,0|2,0,0]=4 5346 B12R1.354 O=C(CF)c1cc(ccc1O)Cl 1458a_100000212143_100015361967 [0,2,0,0,0,0|2,0,0]=4 5347 B12R1.354 O=C(CF)c1cc(ccc1O)F 1458a_100000742286_100015361967 [0,2,0,0,0,0|2,0,0]=4 5348 B12R1.354 O=C(CF)c1cc(ccc1O)I 1458a_100000212111_100015361967 [0,2,0,0,0,0|2,0,0]=4 5349 B12R1.354 O=C(CF)c1cc(ccc1O)O 1458a_100000758025_100015361967 [0,2,0,0,0,0|2,0,0]=4 5350 B12R1.358 CC(N[13CH3])c1cc(cc(c1)Cl)Cl 2230a_100020620772_200025704644 [0,2,0,0,0,0|1,0,1]=4 5351 B12R1.358 CC(N[13CH3])c1cc(cc(c1)Cl)Cl 34a_100020620772_200025704644 [0,2,0,0,0,0|1,0,1]=4 5352 B12R1.358 CCC(=O)c1cc(cc(c1)Br)Br 1458a_100000687083_100000210202 [0,2,0,0,0,0|1,0,0]=3 5353 B12R1.358 CCC(=O)c1cc(cc(c1)Br)C 1458a_100000760426_100000210202 [0,2,0,0,0,0|1,0,0]=3 5354 B12R1.358 CCC(=O)c1cc(cc(c1)Br)Cl 1458a_100000687899_100000210202 [0,2,0,0,0,0|1,0,0]=3 5355 B12R1.358 CCC(=O)c1cc(cc(c1)Br)F 1458a_100000739618_100000210202 [0,2,0,0,0,0|1,0,0]=3 5356 B12R1.358 CCC(=O)c1cc(cc(c1)Br)O 1458a_100011934545_100000210202 [0,2,0,0,0,0|1,0,0]=3 5357 B12R1.358 CCC(=O)c1cc(cc(c1)C)C 1458a_100000210874_100000210202 [0,2,0,0,0,0|1,0,0]=3 5358 B12R1.358 CCC(=O)c1cc(cc(c1)Cl)C 1458a_100000684526_100000210202 [0,2,0,0,0,0|1,0,0]=3 5359 B12R1.358 CCC(=O)c1cc(cc(c1)Cl)Cl 1458a_100000210701_100000210202 [0,2,0,0,0,0|1,0,0]=3 5360 B12R1.358 CCC(=O)c1cc(cc(c1)Cl)F 1458a_100000685768_100000210202 [0,2,0,0,0,0|1,0,0]=3 5361 B12R1.358 CCC(=O)c1cc(cc(c1)Cl)O 1458a_100011997059_100000210202 [0,2,0,0,0,0|1,0,0]=3 5362 B12R1.358 CCC(=O)c1cc(cc(c1)F)C 1458a_100000763163_100000210202 [0,2,0,0,0,0|1,0,0]=3 5363 B12R1.358 CCC(=O)c1cc(cc(c1)F)F 1458a_100000211655_100000210202 [0,2,0,0,0,0|1,0,0]=3 5364 B12R1.358 CCC(=O)c1cc(cc(c1)F)O 1458a_100012017291_100000210202 [0,2,0,0,0,0|1,0,0]=3 5365 B12R1.358 CCC(=O)c1cc(cc(c1)I)Br 1458a_100000689235_100000210202 [0,2,0,0,0,0|1,0,0]=3 5366 B12R1.358 CCC(=O)c1cc(cc(c1)I)C 1458a_100000729426_100000210202 [0,2,0,0,0,0|1,0,0]=3 5367 B12R1.358 CCC(=O)c1cc(cc(c1)I)Cl 1458a_100012047205_100000210202 [0,2,0,0,0,0|1,0,0]=3 5368 B12R1.358 CCC(=O)c1cc(cc(c1)I)F 1458a_100012047268_100000210202 [0,2,0,0,0,0|1,0,0]=3 5369 B12R1.358 CCC(=O)c1cc(cc(c1)I)I 1458a_100011204819_100000210202 [0,2,0,0,0,0|1,0,0]=3 5370 B12R1.358 CCC(=O)c1cc(cc(c1)O)C 1458a_100000094094_100000210202 [0,2,0,0,0,0|1,0,0]=3 5371 B12R1.358 CNC(=O)c1cc(cc(c1)Br)Br 11a_106832991635_100000687083 [0,2,0,0,0,0|0,0,0]=2 5372 B12R1.358 CNC(=O)c1cc(cc(c1)Br)Br 1626a_100102657272_100000687083 [0,2,0,0,0,0|0,0,0]=2 5373 B12R1.358 CNC(=O)c1cc(cc(c1)Br)Br 240690a_100102657272_100000687083 [0,2,0,0,0,0|0,0,0]=2 5374 B12R1.358 CNC(=O)c1cc(cc(c1)Br)Br 527a_100102657272_100000687083 [0,2,0,0,0,0|0,0,0]=2 5375 B12R1.358 CNC(=O)c1cc(cc(c1)Br)C 11a_106832991635_100000760426 [0,2,0,0,0,0|0,0,0]=2 5376 B12R1.358 CNC(=O)c1cc(cc(c1)Br)C 1626a_100102657272_100000760426 [0,2,0,0,0,0|0,0,0]=2 5377 B12R1.358 CNC(=O)c1cc(cc(c1)Br)C 240690a_100102657272_100000760426 [0,2,0,0,0,0|0,0,0]=2 5378 B12R1.358 CNC(=O)c1cc(cc(c1)Br)C 527a_100102657272_100000760426 [0,2,0,0,0,0|0,0,0]=2 5379 B12R1.358 CNC(=O)c1cc(cc(c1)Br)Cl 11a_106832991635_100000687899 [0,2,0,0,0,0|0,0,0]=2 5380 B12R1.358 CNC(=O)c1cc(cc(c1)Br)Cl 1626a_100102657272_100000687899 [0,2,0,0,0,0|0,0,0]=2 5381 B12R1.358 CNC(=O)c1cc(cc(c1)Br)Cl 240690a_100102657272_100000687899 [0,2,0,0,0,0|0,0,0]=2 5382 B12R1.358 CNC(=O)c1cc(cc(c1)Br)Cl 527a_100102657272_100000687899 [0,2,0,0,0,0|0,0,0]=2 5383 B12R1.358 CNC(=O)c1cc(cc(c1)Br)F 11a_106832991635_100000739618 [0,2,0,0,0,0|0,0,0]=2 5384 B12R1.358 CNC(=O)c1cc(cc(c1)Br)F 1626a_100102657272_100000739618 [0,2,0,0,0,0|0,0,0]=2 5385 B12R1.358 CNC(=O)c1cc(cc(c1)Br)F 240690a_100102657272_100000739618 [0,2,0,0,0,0|0,0,0]=2 5386 B12R1.358 CNC(=O)c1cc(cc(c1)Br)F 527a_100102657272_100000739618 [0,2,0,0,0,0|0,0,0]=2 5387 B12R1.358 CNC(=O)c1cc(cc(c1)Br)O 240690a_100102657272_100011934545 [0,2,0,0,0,0|0,0,0]=2 5388 B12R1.358 CNC(=O)c1cc(cc(c1)Br)O 527a_100102657272_100011934545 [0,2,0,0,0,0|0,0,0]=2 5389 B12R1.358 CNC(=O)c1cc(cc(c1)C)C 11a_106832991635_100000210874 [0,2,0,0,0,0|0,0,0]=2 5390 B12R1.358 CNC(=O)c1cc(cc(c1)C)C 1626a_100102657272_100000210874 [0,2,0,0,0,0|0,0,0]=2 5391 B12R1.358 CNC(=O)c1cc(cc(c1)C)C 240690a_100102657272_100000210874 [0,2,0,0,0,0|0,0,0]=2 5392 B12R1.358 CNC(=O)c1cc(cc(c1)C)C 527a_100102657272_100000210874 [0,2,0,0,0,0|0,0,0]=2 5393 B12R1.358 CNC(=O)c1cc(cc(c1)Cl)C 11a_106832991635_100000684526 [0,2,0,0,0,0|0,0,0]=2 5394 B12R1.358 CNC(=O)c1cc(cc(c1)Cl)C 1626a_100102657272_100000684526 [0,2,0,0,0,0|0,0,0]=2 5395 B12R1.358 CNC(=O)c1cc(cc(c1)Cl)C 240690a_100102657272_100000684526 [0,2,0,0,0,0|0,0,0]=2 5396 B12R1.358 CNC(=O)c1cc(cc(c1)Cl)C 527a_100102657272_100000684526 [0,2,0,0,0,0|0,0,0]=2 5397 B12R1.358 CNC(=O)c1cc(cc(c1)Cl)Cl 11a_106832991635_100000210701 [0,2,0,0,0,0|0,0,0]=2 5398 B12R1.358 CNC(=O)c1cc(cc(c1)Cl)Cl 1626a_100102657272_100000210701 [0,2,0,0,0,0|0,0,0]=2 5399 B12R1.358 CNC(=O)c1cc(cc(c1)Cl)Cl 240690a_100102657272_100000210701 [0,2,0,0,0,0|0,0,0]=2 5400 B12R1.358 CNC(=O)c1cc(cc(c1)Cl)Cl 527a_100102657272_100000210701 [0,2,0,0,0,0|0,0,0]=2 5401 B12R1.358 CNC(=O)c1cc(cc(c1)Cl)F 11a_106832991635_100000685768 [0,2,0,0,0,0|0,0,0]=2 5402 B12R1.358 CNC(=O)c1cc(cc(c1)Cl)F 1626a_100102657272_100000685768 [0,2,0,0,0,0|0,0,0]=2 5403 B12R1.358 CNC(=O)c1cc(cc(c1)Cl)F 240690a_100102657272_100000685768 [0,2,0,0,0,0|0,0,0]=2 5404 B12R1.358 CNC(=O)c1cc(cc(c1)Cl)F 527a_100102657272_100000685768 [0,2,0,0,0,0|0,0,0]=2 5405 B12R1.358 CNC(=O)c1cc(cc(c1)Cl)O 240690a_100102657272_100011997059 [0,2,0,0,0,0|0,0,0]=2 5406 B12R1.358 CNC(=O)c1cc(cc(c1)Cl)O 527a_100102657272_100011997059 [0,2,0,0,0,0|0,0,0]=2 5407 B12R1.358 CNC(=O)c1cc(cc(c1)F)C 11a_106832991635_100000763163 [0,2,0,0,0,0|0,0,0]=2 5408 B12R1.358 CNC(=O)c1cc(cc(c1)F)C 1626a_100102657272_100000763163 [0,2,0,0,0,0|0,0,0]=2 5409 B12R1.358 CNC(=O)c1cc(cc(c1)F)C 240690a_100102657272_100000763163 [0,2,0,0,0,0|0,0,0]=2 5410 B12R1.358 CNC(=O)c1cc(cc(c1)F)C 527a_100102657272_100000763163 [0,2,0,0,0,0|0,0,0]=2 5411 B12R1.358 CNC(=O)c1cc(cc(c1)F)F 11a_106832991635_100000211655 [0,2,0,0,0,0|0,0,0]=2 5412 B12R1.358 CNC(=O)c1cc(cc(c1)F)F 1626a_100102657272_100000211655 [0,2,0,0,0,0|0,0,0]=2 5413 B12R1.358 CNC(=O)c1cc(cc(c1)F)F 240690a_100102657272_100000211655 [0,2,0,0,0,0|0,0,0]=2 5414 B12R1.358 CNC(=O)c1cc(cc(c1)F)F 527a_100102657272_100000211655 [0,2,0,0,0,0|0,0,0]=2 5415 B12R1.358 CNC(=O)c1cc(cc(c1)F)O 11a_106832991635_100012017291 [0,2,0,0,0,0|0,0,0]=2 5416 B12R1.358 CNC(=O)c1cc(cc(c1)F)O 240690a_100102657272_100012017291 [0,2,0,0,0,0|0,0,0]=2 5417 B12R1.358 CNC(=O)c1cc(cc(c1)F)O 271570a_203496583355_200011295653 [0,2,0,0,0,0|0,0,0]=2 5418 B12R1.358 CNC(=O)c1cc(cc(c1)F)O 527a_100102657272_100012017291 [0,2,0,0,0,0|0,0,0]=2 5419 B12R1.358 CNC(=O)c1cc(cc(c1)I)Br 11a_106832991635_100000689235 [0,2,0,0,0,0|0,0,0]=2 5420 B12R1.358 CNC(=O)c1cc(cc(c1)I)Br 1626a_100102657272_100000689235 [0,2,0,0,0,0|0,0,0]=2 5421 B12R1.358 CNC(=O)c1cc(cc(c1)I)Br 240690a_100102657272_100000689235 [0,2,0,0,0,0|0,0,0]=2 5422 B12R1.358 CNC(=O)c1cc(cc(c1)I)Br 527a_100102657272_100000689235 [0,2,0,0,0,0|0,0,0]=2 5423 B12R1.358 CNC(=O)c1cc(cc(c1)I)C 11a_106832991635_100000729426 [0,2,0,0,0,0|0,0,0]=2 5424 B12R1.358 CNC(=O)c1cc(cc(c1)I)C 1626a_100102657272_100000729426 [0,2,0,0,0,0|0,0,0]=2 5425 B12R1.358 CNC(=O)c1cc(cc(c1)I)C 240690a_100102657272_100000729426 [0,2,0,0,0,0|0,0,0]=2 5426 B12R1.358 CNC(=O)c1cc(cc(c1)I)C 527a_100102657272_100000729426 [0,2,0,0,0,0|0,0,0]=2 5427 B12R1.358 CNC(=O)c1cc(cc(c1)I)Cl 11a_106832991635_100012047205 [0,2,0,0,0,0|0,0,0]=2 5428 B12R1.358 CNC(=O)c1cc(cc(c1)I)Cl 1626a_100102657272_100012047205 [0,2,0,0,0,0|0,0,0]=2 5429 B12R1.358 CNC(=O)c1cc(cc(c1)I)Cl 240690a_100102657272_100012047205 [0,2,0,0,0,0|0,0,0]=2 5430 B12R1.358 CNC(=O)c1cc(cc(c1)I)Cl 527a_100102657272_100012047205 [0,2,0,0,0,0|0,0,0]=2 5431 B12R1.358 CNC(=O)c1cc(cc(c1)I)F 11a_106832991635_100012047268 [0,2,0,0,0,0|0,0,0]=2 5432 B12R1.358 CNC(=O)c1cc(cc(c1)I)F 1626a_100102657272_100012047268 [0,2,0,0,0,0|0,0,0]=2 5433 B12R1.358 CNC(=O)c1cc(cc(c1)I)F 240690a_100102657272_100012047268 [0,2,0,0,0,0|0,0,0]=2 5434 B12R1.358 CNC(=O)c1cc(cc(c1)I)F 527a_100102657272_100012047268 [0,2,0,0,0,0|0,0,0]=2 5435 B12R1.358 CNC(=O)c1cc(cc(c1)I)I 11a_106832991635_100011204819 [0,2,0,0,0,0|0,0,0]=2 5436 B12R1.358 CNC(=O)c1cc(cc(c1)I)I 1626a_100102657272_100011204819 [0,2,0,0,0,0|0,0,0]=2 5437 B12R1.358 CNC(=O)c1cc(cc(c1)I)I 240690a_100102657272_100011204819 [0,2,0,0,0,0|0,0,0]=2 5438 B12R1.358 CNC(=O)c1cc(cc(c1)I)I 527a_100102657272_100011204819 [0,2,0,0,0,0|0,0,0]=2 5439 B12R1.358 CNC(=O)c1cc(cc(c1)O)C 240690a_100102657272_100000094094 [0,2,0,0,0,0|0,0,0]=2 5440 B12R1.358 CNC(=O)c1cc(cc(c1)O)C 527a_100102657272_100000094094 [0,2,0,0,0,0|0,0,0]=2 5441 B12R1.358 CNC(=O)c1cc(cc(c1)O)O 240690a_100102657272_100000690292 [0,2,0,0,0,0|0,0,0]=2 5442 B12R1.358 CNC(=O)c1cc(cc(c1)O)O 527a_100102657272_100000690292 [0,2,0,0,0,0|0,0,0]=2 5443 B12R1.358 CNC(C)c1cc(cc(c1)Br)Br 269862a_106832991636_100012339319 [0,2,0,0,0,0|1,0,1]=4 5444 B12R1.358 CNC(C)c1cc(cc(c1)Br)C 269862a_106832991636_100000694479 [0,2,0,0,0,0|1,0,1]=4 5445 B12R1.358 CNC(C)c1cc(cc(c1)Br)Cl 269862a_106832991636_100012351652 [0,2,0,0,0,0|1,0,1]=4 5446 B12R1.358 CNC(C)c1cc(cc(c1)Br)F 269862a_106832991636_100012361402 [0,2,0,0,0,0|1,0,1]=4 5447 B12R1.358 CNC(C)c1cc(cc(c1)C)C 2230a_100000753145_200000210301 [0,2,0,0,0,0|1,0,1]=4 5448 B12R1.358 CNC(C)c1cc(cc(c1)C)C 269862a_106832991636_100000753124 [0,2,0,0,0,0|1,0,1]=4 5449 B12R1.358 CNC(C)c1cc(cc(c1)C)C 34a_100000753145_200000210301 [0,2,0,0,0,0|1,0,1]=4 5450 B12R1.358 CNC(C)c1cc(cc(c1)Cl)Cl 2230a_100020620772_200000210301 [0,2,0,0,0,0|1,0,1]=4 5451 B12R1.358 CNC(C)c1cc(cc(c1)Cl)Cl 269862a_106832991636_100000686458 [0,2,0,0,0,0|1,0,1]=4 5452 B12R1.358 CNC(C)c1cc(cc(c1)Cl)Cl 34a_100020620772_200000210301 [0,2,0,0,0,0|1,0,1]=4 5453 B12R1.358 CNC(C)c1cc(cc(c1)Cl)F 269862a_106832991636_100000062022 [0,2,0,0,0,0|1,0,1]=4 5454 B12R1.358 CNC(C)c1cc(cc(c1)F)C 269862a_106832991636_100011830400 [0,2,0,0,0,0|1,0,1]=4 5455 B12R1.358 CNC(C)c1cc(cc(c1)F)F 269862a_106832991636_100000748097 [0,2,0,0,0,0|1,0,1]=4 5456 B12R1.358 CNC(C)c1cc(cc(c1)I)Br 269862a_106832991636_100010005435 [0,2,0,0,0,0|1,0,1]=4 5457 B12R1.358 CNC(C)c1cc(cc(c1)O)C 269862a_106832991636_100009855872 [0,2,0,0,0,0|1,0,1]=4 5458 B12R1.358 CN[C@@H](C)c1cc(cc(c1)Cl)F 2230a_100020639286_200000210301 [0,2,0,0,0,0|1,0,1]=4 5459 B12R1.358 CN[C@@H](C)c1cc(cc(c1)Cl)F 34a_100020639286_200000210301 [0,2,0,0,0,0|1,0,1]=4 5460 B12R1.358 CN[C@H](C)c1cc(cc(c1)F)F 2230a_100016987943_200000210301 [0,2,0,0,0,0|1,0,1]=4 5461 B12R1.358 CN[C@H](C)c1cc(cc(c1)F)F 34a_100016987943_200000210301 [0,2,0,0,0,0|1,0,1]=4 5462 B12R1.358 COC(=O)c1cc(cc(c1)Br)O 271570a_203496583355_100012339729 [0,2,0,0,0,0|1,0,0]=3 5463 B12R1.358 COC(=O)c1cc(cc(c1)Cl)O 271570a_203496583355_100000695173 [0,2,0,0,0,0|1,0,0]=3 5464 B12R1.358 COC(=O)c1cc(cc(c1)F)O 271570a_203496583355_100000698578 [0,2,0,0,0,0|1,0,0]=3 5465 B12R1.358 COC(=O)c1cc(cc(c1)O)C 271570a_203496583355_100012359405 [0,2,0,0,0,0|1,0,0]=3 5466 B12R1.358 COC(=O)c1cc(cc(c1)O)N 271570a_203496583355_100138415615 [0,2,0,0,0,0|1,0,0]=3 5467 B12R1.358 COC(=O)c1cc(cc(c1)O)O 271570a_203496583355_100000696291 [0,2,0,0,0,0|1,0,0]=3 5468 B12R1.358 COC(=O)c1cc(cc(n1)O)C 271570a_203496583355_100009865194 [0,2,0,0,0,0|2,0,0]=4 5469 B12R1.358 COC(=O)c1cc(nc(c1)O)C 271570a_203496583355_100000695393 [0,2,0,0,0,0|2,0,0]=4 5470 B12R1.358 COC(=O)c1cc(nc(c1)O)N 271570a_203496583355_100000062536 [0,2,0,0,0,0|2,0,0]=4 5471 B12R1.358 C[C@@H](N[13CH3])c1cc(cc(c1)F)F 2230a_100016987943_200025704644 [0,2,0,0,0,0|1,0,1]=4 5472 B12R1.358 C[C@@H](N[13CH3])c1cc(cc(c1)F)F 34a_100016987943_200025704644 [0,2,0,0,0,0|1,0,1]=4 5473 B12R1.358 C[C@H](N[13CH3])c1cc(cc(c1)Cl)F 2230a_100020639286_200025704644 [0,2,0,0,0,0|1,0,1]=4 5474 B12R1.358 C[C@H](N[13CH3])c1cc(cc(c1)Cl)F 34a_100020639286_200025704644 [0,2,0,0,0,0|1,0,1]=4 5475 B12R1.358 Cc1cc(cc(c1)C(=O)CF)Br 1458a_100000760426_100015361967 [0,2,0,0,0,0|2,0,0]=4 5476 B12R1.358 Cc1cc(cc(c1)C(=O)CF)C 1458a_100000210874_100015361967 [0,2,0,0,0,0|2,0,0]=4 5477 B12R1.358 Cc1cc(cc(c1)C(=O)CF)Cl 1458a_100000684526_100015361967 [0,2,0,0,0,0|2,0,0]=4 5478 B12R1.358 Cc1cc(cc(c1)C(=O)CF)F 1458a_100000763163_100015361967 [0,2,0,0,0,0|2,0,0]=4 5479 B12R1.358 Cc1cc(cc(c1)C(=O)CF)I 1458a_100000729426_100015361967 [0,2,0,0,0,0|2,0,0]=4 5480 B12R1.358 Cc1cc(cc(c1)C(=O)CF)O 1458a_100000094094_100015361967 [0,2,0,0,0,0|2,0,0]=4 5481 B12R1.358 Cc1cc(cc(c1)C(C)N[13CH3])C 2230a_100000753145_200025704644 [0,2,0,0,0,0|1,0,1]=4 5482 B12R1.358 Cc1cc(cc(c1)C(C)N[13CH3])C 34a_100000753145_200025704644 [0,2,0,0,0,0|1,0,1]=4 5483 B12R1.358 NNC(=O)c1cc(cc(c1)F)O 271570a_203496583355_100011279999 [0,2,0,0,0,0|1,0,0]=3 5484 B12R1.358 O=C(CF)c1cc(cc(c1)Br)Br 1458a_100000687083_100015361967 [0,2,0,0,0,0|2,0,0]=4 5485 B12R1.358 O=C(CF)c1cc(cc(c1)Br)Cl 1458a_100000687899_100015361967 [0,2,0,0,0,0|2,0,0]=4 5486 B12R1.358 O=C(CF)c1cc(cc(c1)Br)F 1458a_100000739618_100015361967 [0,2,0,0,0,0|2,0,0]=4 5487 B12R1.358 O=C(CF)c1cc(cc(c1)Br)O 1458a_100011934545_100015361967 [0,2,0,0,0,0|2,0,0]=4 5488 B12R1.358 O=C(CF)c1cc(cc(c1)Cl)Cl 1458a_100000210701_100015361967 [0,2,0,0,0,0|2,0,0]=4 5489 B12R1.358 O=C(CF)c1cc(cc(c1)Cl)F 1458a_100000685768_100015361967 [0,2,0,0,0,0|2,0,0]=4 5490 B12R1.358 O=C(CF)c1cc(cc(c1)Cl)O 1458a_100011997059_100015361967 [0,2,0,0,0,0|2,0,0]=4 5491 B12R1.358 O=C(CF)c1cc(cc(c1)F)F 1458a_100000211655_100015361967 [0,2,0,0,0,0|2,0,0]=4 5492 B12R1.358 O=C(CF)c1cc(cc(c1)F)O 1458a_100012017291_100015361967 [0,2,0,0,0,0|2,0,0]=4 5493 B12R1.358 O=C(CF)c1cc(cc(c1)I)Br 1458a_100000689235_100015361967 [0,2,0,0,0,0|2,0,0]=4 5494 B12R1.358 O=C(CF)c1cc(cc(c1)I)Cl 1458a_100012047205_100015361967 [0,2,0,0,0,0|2,0,0]=4 5495 B12R1.358 O=C(CF)c1cc(cc(c1)I)F 1458a_100012047268_100015361967 [0,2,0,0,0,0|2,0,0]=4 5496 B12R1.358 O=C(CF)c1cc(cc(c1)I)I 1458a_100011204819_100015361967 [0,2,0,0,0,0|2,0,0]=4 5497 B12R1.435 C#Cc1cccc(c1)C(=O)CC 1458a_100011997762_100000210202 [0,2,0,0,0,0|1,0,0]=3 5498 B12R1.435 C#Cc1cccc(c1)C(=O)CF 1458a_100011997762_100015361967 [0,2,0,0,0,0|2,0,0]=4 5499 B12R1.435 C#Cc1cccc(c1)C(=O)NC 11a_106832991635_100011997762 [0,2,0,0,0,0|0,0,0]=2 5500 B12R1.435 C#Cc1cccc(c1)C(=O)NC 1626a_100102657272_100011997762 [0,2,0,0,0,0|0,0,0]=2 5501 B12R1.435 C#Cc1cccc(c1)C(=O)NC 240690a_100102657272_100011997762 [0,2,0,0,0,0|0,0,0]=2 5502 B12R1.435 C#Cc1cccc(c1)C(=O)NC 527a_100102657272_100011997762 [0,2,0,0,0,0|0,0,0]=2 5503 B12R1.435 C=Cc1cc(ccn1)C(=O)NC 271570a_100011290941_100011196506 [0,2,0,0,0,0|1,0,0]=3 5504 B12R1.435 C=Cc1cc(ccn1)C(=O)NN 271570a_100011290941_100000021280 [0,2,0,0,0,0|2,0,0]=4 5505 B12R1.435 C=Cc1cc(ccn1)C(=O)OC 271570a_100011290941_100011934382 [0,2,0,0,0,0|2,0,0]=4 5506 B12R1.435 C=Cc1cccc(c1)C(=O)C#N 271570a_100011290941_100010169886 [0,2,0,0,0,0|2,0,0]=4 5507 B12R1.435 C=Cc1cccc(c1)C(=O)C=O 271570a_100011290941_100000726164 [0,2,0,0,0,0|2,0,0]=4 5508 B12R1.435 C=Cc1cccc(c1)C(=O)CC 1458a_100011215009_100000210202 [0,2,0,0,0,0|1,0,0]=3 5509 B12R1.435 C=Cc1cccc(c1)C(=O)CC 271570a_100011290941_100000211677 [0,2,0,0,0,0|1,0,0]=3 5510 B12R1.435 C=Cc1cccc(c1)C(=O)CF 1458a_100011215009_100015361967 [0,2,0,0,0,0|2,0,0]=4 5511 B12R1.435 C=Cc1cccc(c1)C(=O)CN 271570a_100011290941_100020587001 [0,2,0,0,0,0|2,0,0]=4 5512 B12R1.435 C=Cc1cccc(c1)C(=O)NC 11a_106832991635_100011215009 [0,2,0,0,0,0|0,0,0]=2 5513 B12R1.435 C=Cc1cccc(c1)C(=O)NC 1626a_100102657272_100011215009 [0,2,0,0,0,0|0,0,0]=2 5514 B12R1.435 C=Cc1cccc(c1)C(=O)NC 240690a_100102657272_100011215009 [0,2,0,0,0,0|0,0,0]=2 5515 B12R1.435 C=Cc1cccc(c1)C(=O)NC 271570a_100011290941_100000155082 [0,2,0,0,0,0|0,0,0]=2 5516 B12R1.435 C=Cc1cccc(c1)C(=O)NC 527a_100102657272_100011215009 [0,2,0,0,0,0|0,0,0]=2 5517 B12R1.435 C=Cc1cccc(c1)C(=O)NN 271570a_100011290941_100000189783 [0,2,0,0,0,0|1,0,0]=3 5518 B12R1.435 C=Cc1cccc(c1)C(=O)OC 271570a_100011290941_100000148679 [0,2,0,0,0,0|1,0,0]=3 5519 B12R1.435 C=Cc1cccc(c1)C(C)NC 271570a_100011290941_100025717457 [0,2,0,0,0,0|1,0,1]=4 5520 B12R1.435 C=Cc1cccc(n1)C(=O)CC 271570a_100011290941_100011004013 [0,2,0,0,0,0|2,0,0]=4 5521 B12R1.435 C=Cc1cccc(n1)C(=O)NC 271570a_100011290941_100000755456 [0,2,0,0,0,0|1,0,0]=3 5522 B12R1.435 C=Cc1cccc(n1)C(=O)NN 271570a_100011290941_100011631096 [0,2,0,0,0,0|2,0,0]=4 5523 B12R1.435 C=Cc1cccc(n1)C(=O)OC 271570a_100011290941_100000708286 [0,2,0,0,0,0|2,0,0]=4 5524 B12R1.435 C=Cc1ccnc(c1)C(=O)CC 271570a_100011290941_200000094848 [0,2,0,0,0,0|2,0,0]=4 5525 B12R1.435 C=Cc1ccnc(c1)C(=O)NC 271570a_100011290941_100000204654 [0,2,0,0,0,0|1,0,0]=3 5526 B12R1.435 C=Cc1ccnc(c1)C(=O)NN 271570a_100011290941_100000017052 [0,2,0,0,0,0|2,0,0]=4 5527 B12R1.435 C=Cc1ccnc(c1)C(=O)OC 271570a_100011290941_100000693414 [0,2,0,0,0,0|2,0,0]=4 5528 B12R1.435 C=Cc1cncc(c1)C(=O)NC 271570a_100011290941_200000155086 [0,2,0,0,0,0|1,0,0]=3 5529 B12R1.435 C=Cc1cncc(c1)C(=O)NN 271570a_100011290941_100000189809 [0,2,0,0,0,0|2,0,0]=4 5530 B12R1.435 C=Cc1cncc(c1)C(=O)OC 271570a_100011290941_100000148912 [0,2,0,0,0,0|2,0,0]=4 5531 B12R1.435 CC(N[13CH3])c1cccc(c1)C#N 2230a_100016987922_200025704644 [0,2,0,0,0,0|1,0,1]=4 5532 B12R1.435 CC(N[13CH3])c1cccc(c1)C#N 34a_100016987922_200025704644 [0,2,0,0,0,0|1,0,1]=4 5533 B12R1.435 CCC(=O)c1cc(ccn1)SC 62a_200000094848_200000210301 [0,2,0,0,0,0|2,0,0]=4 5534 B12R1.435 CCC(=O)c1cc(ccn1)SC 62a_200000210301_200000094848 [0,2,0,0,0,0|2,0,0]=4 5535 B12R1.435 CCC(=O)c1cc(ccn1)S[13CH3] 62a_200000094848_200025704644 [0,2,0,0,0,0|2,0,0]=4 5536 B12R1.435 CCC(=O)c1cc(ccn1)S[13CH3] 62a_200025704644_200000094848 [0,2,0,0,0,0|2,0,0]=4 5537 B12R1.435 CCC(=O)c1cccc(c1)C#N 1458a_100000183950_100000210202 [0,2,0,0,0,0|1,0,0]=3 5538 B12R1.435 CCC(=O)c1cccc(c1)CC 1458a_100011933908_100000210202 [0,2,0,0,0,0|1,0,0]=3 5539 B12R1.435 CCC(=O)c1cccc(c1)CO 1458a_100000746274_100000210202 [0,2,0,0,0,0|1,0,0]=3 5540 B12R1.435 CCC(=O)c1cccc(c1)OC 1458a_100000188888_100000210202 [0,2,0,0,0,0|1,0,0]=3 5541 B12R1.435 CCC(=O)c1cccc(c1)OC 34a_100011996911_200000210301 [0,2,0,0,0,0|1,0,0]=3 5542 B12R1.435 CCC(=O)c1cccc(c1)OC 7a_100011996911_200000210301 [0,2,0,0,0,0|1,0,0]=3 5543 B12R1.435 CCC(=O)c1cccc(c1)O[13CH3] 34a_100011996911_200025704644 [0,2,0,0,0,0|1,0,0]=3 5544 B12R1.435 CCC(=O)c1cccc(c1)O[13CH3] 7a_100011996911_200025704644 [0,2,0,0,0,0|1,0,0]=3 5545 B12R1.435 CCC(=O)c1cccc(c1)SC 1458a_100011217804_100000210202 [0,2,0,0,0,0|1,0,0]=3 5546 B12R1.435 CCC(=O)c1cccc(c1)SC 62a_100000211677_200000210301 [0,2,0,0,0,0|1,0,0]=3 5547 B12R1.435 CCC(=O)c1cccc(c1)SC 62a_200000210301_100000211677 [0,2,0,0,0,0|1,0,0]=3 5548 B12R1.435 CCC(=O)c1cccc(c1)S[13CH3] 62a_100000211677_200025704644 [0,2,0,0,0,0|1,0,0]=3 5549 B12R1.435 CCC(=O)c1cccc(c1)S[13CH3] 62a_200025704644_100000211677 [0,2,0,0,0,0|1,0,0]=3 5550 B12R1.435 CCC(=O)c1cccc(n1)SC 62a_100011004013_200000210301 [0,2,0,0,0,0|2,0,0]=4 5551 B12R1.435 CCC(=O)c1cccc(n1)SC 62a_200000210301_100011004013 [0,2,0,0,0,0|2,0,0]=4 5552 B12R1.435 CCC(=O)c1cccc(n1)S[13CH3] 62a_100011004013_200025704644 [0,2,0,0,0,0|2,0,0]=4 5553 B12R1.435 CCC(=O)c1cccc(n1)S[13CH3] 62a_200025704644_100011004013 [0,2,0,0,0,0|2,0,0]=4 5554 B12R1.435 CCc1cccc(c1)C(=O)CF 1458a_100011933908_100015361967 [0,2,0,0,0,0|2,0,0]=4 5555 B12R1.435 CCc1cccc(c1)C(=O)NC 11a_106832991635_100011933908 [0,2,0,0,0,0|0,0,0]=2 5556 B12R1.435 CCc1cccc(c1)C(=O)NC 1626a_100102657272_100011933908 [0,2,0,0,0,0|0,0,0]=2 5557 B12R1.435 CCc1cccc(c1)C(=O)NC 240690a_100102657272_100011933908 [0,2,0,0,0,0|0,0,0]=2 5558 B12R1.435 CCc1cccc(c1)C(=O)NC 527a_100102657272_100011933908 [0,2,0,0,0,0|0,0,0]=2 5559 B12R1.435 CCc1cccc(c1)C(C)NC 269862a_106832991636_100011220055 [0,2,0,0,0,0|1,0,1]=4 5560 B12R1.435 CNC(=O)c1cc(ccn1)NC 27a_100102657272_100000204654 [0,2,0,0,0,0|1,0,0]=3 5561 B12R1.435 CNC(=O)c1cc(ccn1)SC 62a_100000204654_200000210301 [0,2,0,0,0,0|1,0,0]=3 5562 B12R1.435 CNC(=O)c1cc(ccn1)SC 62a_200000210301_100000204654 [0,2,0,0,0,0|1,0,0]=3 5563 B12R1.435 CNC(=O)c1cc(ccn1)S[13CH3] 62a_100000204654_200025704644 [0,2,0,0,0,0|1,0,0]=3 5564 B12R1.435 CNC(=O)c1cc(ccn1)S[13CH3] 62a_200025704644_100000204654 [0,2,0,0,0,0|1,0,0]=3 5565 B12R1.435 CNC(=O)c1cccc(c1)C#N 11a_106832991635_100000183950 [0,2,0,0,0,0|0,0,0]=2 5566 B12R1.435 CNC(=O)c1cccc(c1)C#N 1626a_100102657272_100000183950 [0,2,0,0,0,0|0,0,0]=2 5567 B12R1.435 CNC(=O)c1cccc(c1)C#N 240690a_100102657272_100000183950 [0,2,0,0,0,0|0,0,0]=2 5568 B12R1.435 CNC(=O)c1cccc(c1)C#N 527a_100102657272_100000183950 [0,2,0,0,0,0|0,0,0]=2 5569 B12R1.435 CNC(=O)c1cccc(c1)CO 240690a_100102657272_100000746274 [0,2,0,0,0,0|0,0,0]=2 5570 B12R1.435 CNC(=O)c1cccc(c1)NC 34a_100000185133_200000210301 [0,2,0,0,0,0|0,0,0]=2 5571 B12R1.435 CNC(=O)c1cccc(c1)N[13CH3] 34a_100000185133_200025704644 [0,2,0,0,0,0|0,0,0]=2 5572 B12R1.435 CNC(=O)c1cccc(c1)OC 11a_106832991635_100000188888 [0,2,0,0,0,0|0,0,0]=2 5573 B12R1.435 CNC(=O)c1cccc(c1)OC 1626a_100102657272_100000188888 [0,2,0,0,0,0|0,0,0]=2 5574 B12R1.435 CNC(=O)c1cccc(c1)OC 240690a_100102657272_100000188888 [0,2,0,0,0,0|0,0,0]=2 5575 B12R1.435 CNC(=O)c1cccc(c1)OC 34a_100000159807_200000210301 [0,2,0,0,0,0|0,0,0]=2 5576 B12R1.435 CNC(=O)c1cccc(c1)OC 527a_100102657272_100000188888 [0,2,0,0,0,0|0,0,0]=2 5577 B12R1.435 CNC(=O)c1cccc(c1)OC 7a_100000159807_200000210301 [0,2,0,0,0,0|0,0,0]=2 5578 B12R1.435 CNC(=O)c1cccc(c1)O[13CH3] 34a_100000159807_200025704644 [0,2,0,0,0,0|0,0,0]=2 5579 B12R1.435 CNC(=O)c1cccc(c1)O[13CH3] 7a_100000159807_200025704644 [0,2,0,0,0,0|0,0,0]=2 5580 B12R1.435 CNC(=O)c1cccc(c1)SC 11a_106832991635_100011217804 [0,2,0,0,0,0|0,0,0]=2 5581 B12R1.435 CNC(=O)c1cccc(c1)SC 1626a_100102657272_100011217804 [0,2,0,0,0,0|0,0,0]=2 5582 B12R1.435 CNC(=O)c1cccc(c1)SC 240690a_100102657272_100011217804 [0,2,0,0,0,0|0,0,0]=2 5583 B12R1.435 CNC(=O)c1cccc(c1)SC 527a_100102657272_100011217804 [0,2,0,0,0,0|0,0,0]=2 5584 B12R1.435 CNC(=O)c1cccc(c1)SC 62a_100000155082_200000210301 [0,2,0,0,0,0|0,0,0]=2 5585 B12R1.435 CNC(=O)c1cccc(c1)SC 62a_200000210301_100000155082 [0,2,0,0,0,0|0,0,0]=2 5586 B12R1.435 CNC(=O)c1cccc(c1)S[13CH3] 62a_100000155082_200025704644 [0,2,0,0,0,0|0,0,0]=2 5587 B12R1.435 CNC(=O)c1cccc(c1)S[13CH3] 62a_200025704644_100000155082 [0,2,0,0,0,0|0,0,0]=2 5588 B12R1.435 CNC(=O)c1cccc(n1)NC 27a_100102657272_100000755456 [0,2,0,0,0,0|1,0,0]=3 5589 B12R1.435 CNC(=O)c1cccc(n1)SC 62a_100000755456_200000210301 [0,2,0,0,0,0|1,0,0]=3 5590 B12R1.435 CNC(=O)c1cccc(n1)SC 62a_200000210301_100000755456 [0,2,0,0,0,0|1,0,0]=3 5591 B12R1.435 CNC(=O)c1cccc(n1)S[13CH3] 62a_100000755456_200025704644 [0,2,0,0,0,0|1,0,0]=3 5592 B12R1.435 CNC(=O)c1cccc(n1)S[13CH3] 62a_200025704644_100000755456 [0,2,0,0,0,0|1,0,0]=3 5593 B12R1.435 CNC(=O)c1ccnc(c1)SC 62a_100011196506_200000210301 [0,2,0,0,0,0|1,0,0]=3 5594 B12R1.435 CNC(=O)c1ccnc(c1)SC 62a_200000210301_100011196506 [0,2,0,0,0,0|1,0,0]=3 5595 B12R1.435 CNC(=O)c1ccnc(c1)S[13CH3] 62a_100011196506_200025704644 [0,2,0,0,0,0|1,0,0]=3 5596 B12R1.435 CNC(=O)c1ccnc(c1)S[13CH3] 62a_200025704644_100011196506 [0,2,0,0,0,0|1,0,0]=3 5597 B12R1.435 CNC(=O)c1cncc(c1)NC 27a_100102657272_200000155086 [0,2,0,0,0,0|1,0,0]=3 5598 B12R1.435 CNC(=O)c1cncc(c1)SC 62a_200000155086_200000210301 [0,2,0,0,0,0|1,0,0]=3 5599 B12R1.435 CNC(=O)c1cncc(c1)SC 62a_200000210301_200000155086 [0,2,0,0,0,0|1,0,0]=3 5600 B12R1.435 CNC(=O)c1cncc(c1)S[13CH3] 62a_200000155086_200025704644 [0,2,0,0,0,0|1,0,0]=3 5601 B12R1.435 CNC(=O)c1cncc(c1)S[13CH3] 62a_200025704644_200000155086 [0,2,0,0,0,0|1,0,0]=3 5602 B12R1.435 CNC(C)c1cccc(c1)C#N 2230a_100016987922_200000210301 [0,2,0,0,0,0|1,0,1]=4 5603 B12R1.435 CNC(C)c1cccc(c1)C#N 269862a_106832991636_100000738961 [0,2,0,0,0,0|1,0,1]=4 5604 B12R1.435 CNC(C)c1cccc(c1)C#N 34a_100016987922_200000210301 [0,2,0,0,0,0|1,0,1]=4 5605 B12R1.435 CNC(C)c1cccc(c1)OC 2230a_100000737859_200000210301 [0,2,0,0,0,0|1,0,1]=4 5606 B12R1.435 CNC(C)c1cccc(c1)OC 269862a_106832991636_100000171656 [0,2,0,0,0,0|1,0,1]=4 5607 B12R1.435 CNC(C)c1cccc(c1)SC 62a_100025717457_200000210301 [0,2,0,0,0,0|1,0,1]=4 5608 B12R1.435 CNC(C)c1cccc(c1)SC 62a_200000210301_100025717457 [0,2,0,0,0,0|1,0,1]=4 5609 B12R1.435 CNC(C)c1cccc(c1)S[13CH3] 62a_100025717457_200025704644 [0,2,0,0,0,0|1,0,1]=4 5610 B12R1.435 CNC(C)c1cccc(c1)S[13CH3] 62a_200025704644_100025717457 [0,2,0,0,0,0|1,0,1]=4 5611 B12R1.435 CNc1cccc(n1)C(=O)OC 27a_100102657272_100000708286 [0,2,0,0,0,0|2,0,0]=4 5612 B12R1.435 COC(=O)c1cc(ccn1)OC 34a_200020638413_200000210301 [0,2,0,0,0,0|2,0,0]=4 5613 B12R1.435 COC(=O)c1cc(ccn1)O[13CH3] 34a_200020638413_200025704644 [0,2,0,0,0,0|2,0,0]=4 5614 B12R1.435 COC(=O)c1cc(ccn1)SC 62a_100000693414_200000210301 [0,2,0,0,0,0|2,0,0]=4 5615 B12R1.435 COC(=O)c1cc(ccn1)SC 62a_200000210301_100000693414 [0,2,0,0,0,0|2,0,0]=4 5616 B12R1.435 COC(=O)c1cc(ccn1)S[13CH3] 62a_100000693414_200025704644 [0,2,0,0,0,0|2,0,0]=4 5617 B12R1.435 COC(=O)c1cc(ccn1)S[13CH3] 62a_200025704644_100000693414 [0,2,0,0,0,0|2,0,0]=4 5618 B12R1.435 COC(=O)c1cccc(c1)OC 34a_100000150331_200000210301 [0,2,0,0,0,0|1,0,0]=3 5619 B12R1.435 COC(=O)c1cccc(c1)OC 7a_100000150331_200000210301 [0,2,0,0,0,0|1,0,0]=3 5620 B12R1.435 COC(=O)c1cccc(c1)O[13CH3] 34a_100000150331_200025704644 [0,2,0,0,0,0|1,0,0]=3 5621 B12R1.435 COC(=O)c1cccc(c1)O[13CH3] 7a_100000150331_200025704644 [0,2,0,0,0,0|1,0,0]=3 5622 B12R1.435 COC(=O)c1cccc(c1)SC 62a_100000148848_200000210301 [0,2,0,0,0,0|1,0,0]=3 5623 B12R1.435 COC(=O)c1cccc(c1)SC 62a_200000210301_100000148848 [0,2,0,0,0,0|1,0,0]=3 5624 B12R1.435 COC(=O)c1cccc(c1)S[13CH3] 62a_100000148848_200025704644 [0,2,0,0,0,0|1,0,0]=3 5625 B12R1.435 COC(=O)c1cccc(c1)S[13CH3] 62a_200025704644_100000148848 [0,2,0,0,0,0|1,0,0]=3 5626 B12R1.435 COC(=O)c1cccc(n1)SC 62a_100000708286_200000210301 [0,2,0,0,0,0|2,0,0]=4 5627 B12R1.435 COC(=O)c1cccc(n1)SC 62a_200000210301_100000708286 [0,2,0,0,0,0|2,0,0]=4 5628 B12R1.435 COC(=O)c1cccc(n1)S[13CH3] 62a_100000708286_200025704644 [0,2,0,0,0,0|2,0,0]=4 5629 B12R1.435 COC(=O)c1cccc(n1)S[13CH3] 62a_200025704644_100000708286 [0,2,0,0,0,0|2,0,0]=4 5630 B12R1.435 COC(=O)c1ccnc(c1)OC 34a_100138552365_200000210301 [0,2,0,0,0,0|2,0,0]=4 5631 B12R1.435 COC(=O)c1ccnc(c1)O[13CH3] 34a_100138552365_200025704644 [0,2,0,0,0,0|2,0,0]=4 5632 B12R1.435 COC(=O)c1ccnc(c1)SC 62a_100011934382_200000210301 [0,2,0,0,0,0|2,0,0]=4 5633 B12R1.435 COC(=O)c1ccnc(c1)SC 62a_200000210301_100011934382 [0,2,0,0,0,0|2,0,0]=4 5634 B12R1.435 COC(=O)c1ccnc(c1)S[13CH3] 62a_100011934382_200025704644 [0,2,0,0,0,0|2,0,0]=4 5635 B12R1.435 COC(=O)c1ccnc(c1)S[13CH3] 62a_200025704644_100011934382 [0,2,0,0,0,0|2,0,0]=4 5636 B12R1.435 COC(=O)c1cncc(c1)OC 34a_100000687108_200000210301 [0,2,0,0,0,0|2,0,0]=4 5637 B12R1.435 COC(=O)c1cncc(c1)OC 7a_100000687108_200000210301 [0,2,0,0,0,0|2,0,0]=4 5638 B12R1.435 COC(=O)c1cncc(c1)O[13CH3] 34a_100000687108_200025704644 [0,2,0,0,0,0|2,0,0]=4 5639 B12R1.435 COC(=O)c1cncc(c1)O[13CH3] 7a_100000687108_200025704644 [0,2,0,0,0,0|2,0,0]=4 5640 B12R1.435 COC(=O)c1cncc(c1)SC 62a_100000148912_200000210301 [0,2,0,0,0,0|2,0,0]=4 5641 B12R1.435 COC(=O)c1cncc(c1)SC 62a_200000210301_100000148912 [0,2,0,0,0,0|2,0,0]=4 5642 B12R1.435 COC(=O)c1cncc(c1)S[13CH3] 62a_100000148912_200025704644 [0,2,0,0,0,0|2,0,0]=4 5643 B12R1.435 COC(=O)c1cncc(c1)S[13CH3] 62a_200025704644_100000148912 [0,2,0,0,0,0|2,0,0]=4 5644 B12R1.435 COc1cccc(c1)C(=O)CBr 7a_100009813753_200000210301 [0,2,0,0,0,0|2,0,0]=4 5645 B12R1.435 COc1cccc(c1)C(=O)CF 1458a_100000188888_100015361967 [0,2,0,0,0,0|2,0,0]=4 5646 B12R1.435 COc1cccc(c1)C(=O)NN 34a_100000184184_200000210301 [0,2,0,0,0,0|1,0,0]=3 5647 B12R1.435 COc1cccc(c1)C(C)N[13CH3] 2230a_100000737859_200025704644 [0,2,0,0,0,0|1,0,1]=4 5648 B12R1.435 CSc1cc(ccn1)C(=O)NN 62a_100000021280_200000210301 [0,2,0,0,0,0|2,0,0]=4 5649 B12R1.435 CSc1cc(ccn1)C(=O)NN 62a_200000210301_100000021280 [0,2,0,0,0,0|2,0,0]=4 5650 B12R1.435 CSc1cccc(c1)C(=O)C#N 62a_200000210301_100010169886 [0,2,0,0,0,0|2,0,0]=4 5651 B12R1.435 CSc1cccc(c1)C(=O)C=O 62a_100000726164_200000210301 [0,2,0,0,0,0|2,0,0]=4 5652 B12R1.435 CSc1cccc(c1)C(=O)C=O 62a_200000210301_100000726164 [0,2,0,0,0,0|2,0,0]=4 5653 B12R1.435 CSc1cccc(c1)C(=O)CF 1458a_100011217804_100015361967 [0,2,0,0,0,0|2,0,0]=4 5654 B12R1.435 CSc1cccc(c1)C(=O)CN 62a_100020587001_200000210301 [0,2,0,0,0,0|2,0,0]=4 5655 B12R1.435 CSc1cccc(c1)C(=O)CN 62a_200000210301_100020587001 [0,2,0,0,0,0|2,0,0]=4 5656 B12R1.435 CSc1cccc(c1)C(=O)NN 62a_100000189783_200000210301 [0,2,0,0,0,0|1,0,0]=3 5657 B12R1.435 CSc1cccc(c1)C(=O)NN 62a_200000210301_100000189783 [0,2,0,0,0,0|1,0,0]=3 5658 B12R1.435 CSc1cccc(n1)C(=O)NN 62a_100011631096_200000210301 [0,2,0,0,0,0|2,0,0]=4 5659 B12R1.435 CSc1cccc(n1)C(=O)NN 62a_200000210301_100011631096 [0,2,0,0,0,0|2,0,0]=4 5660 B12R1.435 CSc1ccnc(c1)C(=O)NN 62a_100000017052_200000210301 [0,2,0,0,0,0|2,0,0]=4 5661 B12R1.435 CSc1ccnc(c1)C(=O)NN 62a_200000210301_100000017052 [0,2,0,0,0,0|2,0,0]=4 5662 B12R1.435 CSc1cncc(c1)C(=O)NN 62a_100000189809_200000210301 [0,2,0,0,0,0|2,0,0]=4 5663 B12R1.435 CSc1cncc(c1)C(=O)NN 62a_200000210301_100000189809 [0,2,0,0,0,0|2,0,0]=4 5664 B12R1.435 N#Cc1cccc(c1)C(=O)CF 1458a_100000183950_100015361967 [0,2,0,0,0,0|2,0,0]=4 5665 B12R1.435 O=C(CF)c1cccc(c1)CO 1458a_100000746274_100015361967 [0,2,0,0,0,0|2,0,0]=4 5666 B12R1.435 [13CH3]Oc1cccc(c1)C(=O)CBr 7a_100009813753_200025704644 [0,2,0,0,0,0|2,0,0]=4 5667 B12R1.435 [13CH3]Oc1cccc(c1)C(=O)NN 34a_100000184184_200025704644 [0,2,0,0,0,0|1,0,0]=3 5668 B12R1.435 [13CH3]Sc1cc(ccn1)C(=O)NN 62a_100000021280_200025704644 [0,2,0,0,0,0|2,0,0]=4 5669 B12R1.435 [13CH3]Sc1cc(ccn1)C(=O)NN 62a_200025704644_100000021280 [0,2,0,0,0,0|2,0,0]=4 5670 B12R1.435 [13CH3]Sc1cccc(c1)C(=O)C#N 62a_200025704644_100010169886 [0,2,0,0,0,0|2,0,0]=4 5671 B12R1.435 [13CH3]Sc1cccc(c1)C(=O)C=O 62a_100000726164_200025704644 [0,2,0,0,0,0|2,0,0]=4 5672 B12R1.435 [13CH3]Sc1cccc(c1)C(=O)C=O 62a_200025704644_100000726164 [0,2,0,0,0,0|2,0,0]=4 5673 B12R1.435 [13CH3]Sc1cccc(c1)C(=O)CN 62a_100020587001_200025704644 [0,2,0,0,0,0|2,0,0]=4 5674 B12R1.435 [13CH3]Sc1cccc(c1)C(=O)CN 62a_200025704644_100020587001 [0,2,0,0,0,0|2,0,0]=4 5675 B12R1.435 [13CH3]Sc1cccc(c1)C(=O)NN 62a_100000189783_200025704644 [0,2,0,0,0,0|1,0,0]=3 5676 B12R1.435 [13CH3]Sc1cccc(c1)C(=O)NN 62a_200025704644_100000189783 [0,2,0,0,0,0|1,0,0]=3 5677 B12R1.435 [13CH3]Sc1cccc(n1)C(=O)NN 62a_100011631096_200025704644 [0,2,0,0,0,0|2,0,0]=4 5678 B12R1.435 [13CH3]Sc1cccc(n1)C(=O)NN 62a_200025704644_100011631096 [0,2,0,0,0,0|2,0,0]=4 5679 B12R1.435 [13CH3]Sc1ccnc(c1)C(=O)NN 62a_100000017052_200025704644 [0,2,0,0,0,0|2,0,0]=4 5680 B12R1.435 [13CH3]Sc1ccnc(c1)C(=O)NN 62a_200025704644_100000017052 [0,2,0,0,0,0|2,0,0]=4 5681 B12R1.435 [13CH3]Sc1cncc(c1)C(=O)NN 62a_100000189809_200025704644 [0,2,0,0,0,0|2,0,0]=4 5682 B12R1.435 [13CH3]Sc1cncc(c1)C(=O)NN 62a_200025704644_100000189809 [0,2,0,0,0,0|2,0,0]=4 5683 B12R1.124 CC(=C(C)c1ccccc1Br)C 271570a_200000049429_100000695589 [0,2,0,0,0,0|2,0,0]=4 5684 B12R1.124 CC(=C(C)c1ccccc1C)C 271570a_200000049429_100000210755 [0,2,0,0,0,0|2,0,0]=4 5685 B12R1.124 CC(=C(C)c1ccccc1Cl)C 271570a_200000049429_100000764095 [0,2,0,0,0,0|2,0,0]=4 5686 B12R1.124 CC(=C(C)c1ccccc1F)C 271570a_200000049429_100011215700 [0,2,0,0,0,0|2,0,0]=4 5687 B12R1.124 CC(=C(C)c1ccccc1N)C 271570a_200000049429_100000210017 [0,2,0,0,0,0|2,0,0]=4 5688 B12R1.124 CC(=C(C)c1ccccc1O)C 271570a_200000049429_100000739446 [0,2,0,0,0,0|2,0,0]=4 5689 B12R1.124 CC(C)C(=O)c1ccccc1Br 1458a_100000188424_100000210206 [0,2,0,0,0,0|1,0,0]=3 5690 B12R1.124 CC(C)C(=O)c1ccccc1Cl 1458a_100000185844_100000210206 [0,2,0,0,0,0|1,0,0]=3 5691 B12R1.124 CC(C)C(=O)c1ccccc1F 1458a_100000188656_100000210206 [0,2,0,0,0,0|1,0,0]=3 5692 B12R1.124 CC(C)C(=O)c1ccccc1I 1458a_100000187884_100000210206 [0,2,0,0,0,0|1,0,0]=3 5693 B12R1.124 CC(C)C(=O)c1ccccc1O 1458a_100015234032_100000210206 [0,2,0,0,0,0|1,0,0]=3 5694 B12R1.124 CC(C)C(=O)c1ccccc1[O-] 1458a_100009911694_100000210206 [0,2,0,0,0,0|1,0,0]=3 5695 B12R1.124 CC(c1ccccc1Br)N(C)C 2230a_100000692418_200000210301 [0,2,0,0,0,0|1,0,1]=4 5696 B12R1.124 CC(c1ccccc1Br)N(C)C 269982a_100000692418_200000210301 [0,2,0,0,0,0|1,0,1]=4 5697 B12R1.124 CC(c1ccccc1Br)N(C)[13CH3] 2230a_100000692418_200025704644 [0,2,0,0,0,0|1,0,1]=4 5698 B12R1.124 CC(c1ccccc1Br)N(C)[13CH3] 269982a_100000692418_200025704644 [0,2,0,0,0,0|1,0,1]=4 5699 B12R1.124 CC(c1ccccc1Cl)N(C)C 2230a_100102631434_100000181259 [0,2,0,0,0,0|1,0,1]=4 5700 B12R1.124 CC(c1ccccc1Cl)N(C)C 269982a_100102631434_100000181259 [0,2,0,0,0,0|1,0,1]=4 5701 B12R1.124 CC(c1ccccc1F)N(C)C 2230a_100000231110_200000210301 [0,2,0,0,0,0|1,0,1]=4 5702 B12R1.124 CC(c1ccccc1F)N(C)C 2230a_100102631434_200000741388 [0,2,0,0,0,0|1,0,1]=4 5703 B12R1.124 CC(c1ccccc1F)N(C)C 269982a_100000231110_200000210301 [0,2,0,0,0,0|1,0,1]=4 5704 B12R1.124 CC(c1ccccc1F)N(C)C 269982a_100102631434_200000741388 [0,2,0,0,0,0|1,0,1]=4 5705 B12R1.124 CC(c1ccccc1F)N(C)C 34a_100000231110_200000210301 [0,2,0,0,0,0|1,0,1]=4 5706 B12R1.124 CC(c1ccccc1F)N(C)[13CH3] 2230a_100000231110_200025704644 [0,2,0,0,0,0|1,0,1]=4 5707 B12R1.124 CC(c1ccccc1F)N(C)[13CH3] 269982a_100000231110_200025704644 [0,2,0,0,0,0|1,0,1]=4 5708 B12R1.124 CC(c1ccccc1F)N(C)[13CH3] 34a_100000231110_200025704644 [0,2,0,0,0,0|1,0,1]=4 5709 B12R1.124 CN(C)C(=O)c1ccccc1Br 11a_100102631434_100000188424 [0,2,0,0,0,0|0,0,0]=2 5710 B12R1.124 CN(C)C(=O)c1ccccc1Br 1626a_100102631434_100000188424 [0,2,0,0,0,0|0,0,0]=2 5711 B12R1.124 CN(C)C(=O)c1ccccc1Br 240690a_100102631434_100000188424 [0,2,0,0,0,0|0,0,0]=2 5712 B12R1.124 CN(C)C(=O)c1ccccc1Br 527a_100102631434_100000188424 [0,2,0,0,0,0|0,0,0]=2 5713 B12R1.124 CN(C)C(=O)c1ccccc1Cl 11a_100102631434_100000185844 [0,2,0,0,0,0|0,0,0]=2 5714 B12R1.124 CN(C)C(=O)c1ccccc1Cl 1626a_100102631434_100000185844 [0,2,0,0,0,0|0,0,0]=2 5715 B12R1.124 CN(C)C(=O)c1ccccc1Cl 240690a_100102631434_100000185844 [0,2,0,0,0,0|0,0,0]=2 5716 B12R1.124 CN(C)C(=O)c1ccccc1Cl 527a_100102631434_100000185844 [0,2,0,0,0,0|0,0,0]=2 5717 B12R1.124 CN(C)C(=O)c1ccccc1F 11a_100102631434_100000188656 [0,2,0,0,0,0|0,0,0]=2 5718 B12R1.124 CN(C)C(=O)c1ccccc1F 1626a_100102631434_100000188656 [0,2,0,0,0,0|0,0,0]=2 5719 B12R1.124 CN(C)C(=O)c1ccccc1F 240690a_100102631434_100000188656 [0,2,0,0,0,0|0,0,0]=2 5720 B12R1.124 CN(C)C(=O)c1ccccc1F 527a_100102631434_100000188656 [0,2,0,0,0,0|0,0,0]=2 5721 B12R1.124 CN(C)C(=O)c1ccccc1I 11a_100102631434_100000187884 [0,2,0,0,0,0|0,0,0]=2 5722 B12R1.124 CN(C)C(=O)c1ccccc1I 1626a_100102631434_100000187884 [0,2,0,0,0,0|0,0,0]=2 5723 B12R1.124 CN(C)C(=O)c1ccccc1I 240690a_100102631434_100000187884 [0,2,0,0,0,0|0,0,0]=2 5724 B12R1.124 CN(C)C(=O)c1ccccc1I 527a_100102631434_100000187884 [0,2,0,0,0,0|0,0,0]=2 5725 B12R1.124 CN(C)C(=O)c1ccccc1O 240690a_100102631434_100015234032 [0,2,0,0,0,0|0,0,0]=2 5726 B12R1.124 CN(C)C(=O)c1ccccc1O 271570a_203496583355_100000159526 [0,2,0,0,0,0|0,0,0]=2 5727 B12R1.124 CN(C)C(=O)c1ccccc1[O-] 1626a_100102631434_100009911694 [0,2,0,0,0,0|0,0,0]=2 5728 B12R1.124 CN(C)C(=O)c1ccccc1[O-] 240690a_100102631434_100009911694 [0,2,0,0,0,0|0,0,0]=2 5729 B12R1.124 CN(C)C(=O)c1ccccc1[O-] 527a_100102631434_100009911694 [0,2,0,0,0,0|0,0,0]=2 5730 B12R1.124 CN(C)C(=O)c1cccnc1O 271570a_203496583355_100000159563 [0,2,0,0,0,0|1,0,0]=3 5731 B12R1.124 Cc1ccccc1C(=O)C(C)C 1458a_100000212026_100000210206 [0,2,0,0,0,0|1,0,0]=3 5732 B12R1.124 Cc1ccccc1C(=O)N(C)C 11a_100102631434_100000212026 [0,2,0,0,0,0|0,0,0]=2 5733 B12R1.124 Cc1ccccc1C(=O)N(C)C 1626a_100102631434_100000212026 [0,2,0,0,0,0|0,0,0]=2 5734 B12R1.124 Cc1ccccc1C(=O)N(C)C 240690a_100102631434_100000212026 [0,2,0,0,0,0|0,0,0]=2 5735 B12R1.124 Cc1ccccc1C(=O)N(C)C 527a_100102631434_100000212026 [0,2,0,0,0,0|0,0,0]=2 5736 B12R1.564 O=C(c1ccccc1)C(F)(F)F 1458a_100000185807_200000243211 [0,2,0,0,0,0|2,0,0]=4 5737 B12R1.77 C#Cc1ccccc1C(=O)CC 1458a_100011243808_100000210202 [0,2,0,0,0,0|1,0,0]=3 5738 B12R1.77 C#Cc1ccccc1C(=O)CF 1458a_100011243808_100015361967 [0,2,0,0,0,0|2,0,0]=4 5739 B12R1.77 C#Cc1ccccc1C(=O)NC 527a_100102657272_100011243808 [0,2,0,0,0,0|0,0,0]=2 5740 B12R1.77 C=Cc1ccccc1C(=O)CC 1458a_100011830265_100000210202 [0,2,0,0,0,0|1,0,0]=3 5741 B12R1.77 C=Cc1ccccc1C(=O)CF 1458a_100011830265_100015361967 [0,2,0,0,0,0|2,0,0]=4 5742 B12R1.77 C=Cc1ccccc1C(=O)NC 1626a_100102657272_100011830265 [0,2,0,0,0,0|0,0,0]=2 5743 B12R1.77 C=Cc1ccccc1C(=O)NC 271570a_100011290941_100000155073 [0,2,0,0,0,0|0,0,0]=2 5744 B12R1.77 C=Cc1ccccc1C(=O)NN 271570a_100011290941_100000190081 [0,2,0,0,0,0|1,0,0]=3 5745 B12R1.77 C=Cc1ccccc1C(=O)OC 271570a_100011290941_100000148710 [0,2,0,0,0,0|1,0,0]=3 5746 B12R1.77 C=Cc1ccccc1C(C)NC 271570a_100011290941_100000692418 [0,2,0,0,0,0|1,0,1]=4 5747 B12R1.77 C=Cc1cccnc1C(=O)OC 271570a_100011290941_100011935214 [0,2,0,0,0,0|2,0,0]=4 5748 B12R1.77 C=Cc1ccncc1C(=O)OC 271570a_100011290941_100020629055 [0,2,0,0,0,0|2,0,0]=4 5749 B12R1.77 C=Cc1cnccc1C(=O)OC 271570a_100011290941_100010008606 [0,2,0,0,0,0|2,0,0]=4 5750 B12R1.77 C=Cc1ncccc1C(=O)NC 271570a_100011290941_100000159833 [0,2,0,0,0,0|1,0,0]=3 5751 B12R1.77 C=Cc1ncccc1C(=O)OC 271570a_100011290941_100000150852 [0,2,0,0,0,0|2,0,0]=4 5752 B12R1.77 CC(N[13CH3])c1ccccc1C#N 2230a_100160469468_200025704644 [0,2,0,0,0,0|1,0,1]=4 5753 B12R1.77 CCC(=O)c1ccccc1C#N 1458a_100000742908_100000210202 [0,2,0,0,0,0|1,0,0]=3 5754 B12R1.77 CCC(=O)c1ccccc1CC 1458a_100000689120_100000210202 [0,2,0,0,0,0|1,0,0]=3 5755 B12R1.77 CCC(=O)c1ccccc1CO 1458a_100011301526_100000210202 [0,2,0,0,0,0|1,0,0]=3 5756 B12R1.77 CCC(=O)c1ccccc1I=O 1458a_100000032414_100000210202 [0,2,0,0,0,0|1,0,0]=3 5757 B12R1.77 CCC(=O)c1ccccc1OC 1458a_100000185835_100000210202 [0,2,0,0,0,0|1,0,0]=3 5758 B12R1.77 CCC(=O)c1ccccc1OC 7a_100000184720_200000210301 [0,2,0,0,0,0|1,0,0]=3 5759 B12R1.77 CCC(=O)c1ccccc1O[13CH3] 7a_100000184720_200025704644 [0,2,0,0,0,0|1,0,0]=3 5760 B12R1.77 CCC(=O)c1ccccc1SC 1458a_100000183967_100000210202 [0,2,0,0,0,0|1,0,0]=3 5761 B12R1.77 CCc1ccccc1C(=O)CF 1458a_100000689120_100015361967 [0,2,0,0,0,0|2,0,0]=4 5762 B12R1.77 CCc1ccccc1C(=O)NC 11a_106832991635_100000689120 [0,2,0,0,0,0|0,0,0]=2 5763 B12R1.77 CCc1ccccc1C(=O)NC 1626a_100102657272_100000689120 [0,2,0,0,0,0|0,0,0]=2 5764 B12R1.77 CCc1ccccc1C(=O)NC 240690a_100102657272_100000689120 [0,2,0,0,0,0|0,0,0]=2 5765 B12R1.77 CCc1ccccc1C(=O)NC 527a_100102657272_100000689120 [0,2,0,0,0,0|0,0,0]=2 5766 B12R1.77 CNC(=O)c1ccccc1C#N 11a_106832991635_100000742908 [0,2,0,0,0,0|0,0,0]=2 5767 B12R1.77 CNC(=O)c1ccccc1C#N 1626a_100102657272_100000742908 [0,2,0,0,0,0|0,0,0]=2 5768 B12R1.77 CNC(=O)c1ccccc1C#N 527a_100102657272_100000742908 [0,2,0,0,0,0|0,0,0]=2 5769 B12R1.77 CNC(=O)c1ccccc1I=O 1626a_100102657272_100000032414 [0,2,0,0,0,0|0,0,0]=2 5770 B12R1.77 CNC(=O)c1ccccc1I=O 240690a_100102657272_100000032414 [0,2,0,0,0,0|0,0,0]=2 5771 B12R1.77 CNC(=O)c1ccccc1I=O 527a_100102657272_100000032414 [0,2,0,0,0,0|0,0,0]=2 5772 B12R1.77 CNC(=O)c1ccccc1NC 27a_100102657272_100000155073 [0,2,0,0,0,0|0,0,0]=2 5773 B12R1.77 CNC(=O)c1ccccc1NC 34a_100000185696_200000210301 [0,2,0,0,0,0|0,0,0]=2 5774 B12R1.77 CNC(=O)c1ccccc1N[13CH3] 34a_100000185696_200025704644 [0,2,0,0,0,0|0,0,0]=2 5775 B12R1.77 CNC(=O)c1ccccc1OC 11a_106832991635_100000185835 [0,2,0,0,0,0|0,0,0]=2 5776 B12R1.77 CNC(=O)c1ccccc1OC 1626a_100102657272_100000185835 [0,2,0,0,0,0|0,0,0]=2 5777 B12R1.77 CNC(=O)c1ccccc1OC 240690a_100102657272_100000185835 [0,2,0,0,0,0|0,0,0]=2 5778 B12R1.77 CNC(=O)c1ccccc1OC 34a_100000185920_200000210301 [0,2,0,0,0,0|0,0,0]=2 5779 B12R1.77 CNC(=O)c1ccccc1OC 527a_100102657272_100000185835 [0,2,0,0,0,0|0,0,0]=2 5780 B12R1.77 CNC(=O)c1ccccc1OC 7a_100000185920_200000210301 [0,2,0,0,0,0|0,0,0]=2 5781 B12R1.77 CNC(=O)c1ccccc1O[13CH3] 34a_100000185920_200025704644 [0,2,0,0,0,0|0,0,0]=2 5782 B12R1.77 CNC(=O)c1ccccc1O[13CH3] 7a_100000185920_200025704644 [0,2,0,0,0,0|0,0,0]=2 5783 B12R1.77 CNC(=O)c1ccccc1SC 11a_106832991635_100000183967 [0,2,0,0,0,0|0,0,0]=2 5784 B12R1.77 CNC(=O)c1ccccc1SC 1626a_100102657272_100000183967 [0,2,0,0,0,0|0,0,0]=2 5785 B12R1.77 CNC(=O)c1ccccc1SC 240690a_100102657272_100000183967 [0,2,0,0,0,0|0,0,0]=2 5786 B12R1.77 CNC(=O)c1ccccc1SC 527a_100102657272_100000183967 [0,2,0,0,0,0|0,0,0]=2 5787 B12R1.77 CNC(=O)c1ccccc1SC 62a_100000155073_200000210301 [0,2,0,0,0,0|0,0,0]=2 5788 B12R1.77 CNC(=O)c1ccccc1SC 62a_200000210301_100000155073 [0,2,0,0,0,0|0,0,0]=2 5789 B12R1.77 CNC(=O)c1ccccc1S[13CH3] 62a_100000155073_200025704644 [0,2,0,0,0,0|0,0,0]=2 5790 B12R1.77 CNC(=O)c1ccccc1S[13CH3] 62a_200025704644_100000155073 [0,2,0,0,0,0|0,0,0]=2 5791 B12R1.77 CNC(=O)c1cccnc1NC 27a_100102657272_100000159833 [0,2,0,0,0,0|1,0,0]=3 5792 B12R1.77 CNC(=O)c1cccnc1SC 62a_100000159833_200000210301 [0,2,0,0,0,0|1,0,0]=3 5793 B12R1.77 CNC(=O)c1cccnc1SC 62a_200000210301_100000159833 [0,2,0,0,0,0|1,0,0]=3 5794 B12R1.77 CNC(=O)c1cccnc1S[13CH3] 62a_100000159833_200025704644 [0,2,0,0,0,0|1,0,0]=3 5795 B12R1.77 CNC(=O)c1cccnc1S[13CH3] 62a_200025704644_100000159833 [0,2,0,0,0,0|1,0,0]=3 5796 B12R1.77 CNC(=O)c1ncccc1OC 34a_100011376092_200000210301 [0,2,0,0,0,0|1,0,0]=3 5797 B12R1.77 CNC(=O)c1ncccc1OC 7a_100011376092_200000210301 [0,2,0,0,0,0|1,0,0]=3 5798 B12R1.77 CNC(=O)c1ncccc1O[13CH3] 34a_100011376092_200025704644 [0,2,0,0,0,0|1,0,0]=3 5799 B12R1.77 CNC(=O)c1ncccc1O[13CH3] 7a_100011376092_200025704644 [0,2,0,0,0,0|1,0,0]=3 5800 B12R1.77 CNC(C)c1ccccc1C#N 2230a_100160469468_200000210301 [0,2,0,0,0,0|1,0,1]=4 5801 B12R1.77 CNC(C)c1ccccc1OC 2230a_100000185323_200000210301 [0,2,0,0,0,0|1,0,1]=4 5802 B12R1.77 CNC(C)c1ccccc1OC 269862a_106832991636_100000173324 [0,2,0,0,0,0|1,0,1]=4 5803 B12R1.77 CNC(C)c1ccccc1SC 62a_100000692418_200000210301 [0,2,0,0,0,0|1,0,1]=4 5804 B12R1.77 CNC(C)c1ccccc1SC 62a_200000210301_100000692418 [0,2,0,0,0,0|1,0,1]=4 5805 B12R1.77 CNC(C)c1ccccc1S[13CH3] 62a_100000692418_200025704644 [0,2,0,0,0,0|1,0,1]=4 5806 B12R1.77 CNC(C)c1ccccc1S[13CH3] 62a_200025704644_100000692418 [0,2,0,0,0,0|1,0,1]=4 5807 B12R1.77 CNc1ncccc1C(=O)OC 27a_100102657272_100000150852 [0,2,0,0,0,0|2,0,0]=4 5808 B12R1.77 COC(=O)c1ccccc1OC 7a_100000150335_200000210301 [0,2,0,0,0,0|1,0,0]=3 5809 B12R1.77 COC(=O)c1ccccc1O[13CH3] 7a_100000150335_200025704644 [0,2,0,0,0,0|1,0,0]=3 5810 B12R1.77 COC(=O)c1ccccc1SC 62a_100000148710_200000210301 [0,2,0,0,0,0|1,0,0]=3 5811 B12R1.77 COC(=O)c1ccccc1SC 62a_200000210301_100000148710 [0,2,0,0,0,0|1,0,0]=3 5812 B12R1.77 COC(=O)c1ccccc1S[13CH3] 62a_100000148710_200025704644 [0,2,0,0,0,0|1,0,0]=3 5813 B12R1.77 COC(=O)c1ccccc1S[13CH3] 62a_200025704644_100000148710 [0,2,0,0,0,0|1,0,0]=3 5814 B12R1.77 COC(=O)c1cccnc1SC 62a_100011587185_200000210301 [0,2,0,0,0,0|2,0,0]=4 5815 B12R1.77 COC(=O)c1cccnc1SC 62a_200000210301_100000150852 [0,2,0,0,0,0|2,0,0]=4 5816 B12R1.77 COC(=O)c1cccnc1S[13CH3] 62a_100011587185_200025704644 [0,2,0,0,0,0|2,0,0]=4 5817 B12R1.77 COC(=O)c1cccnc1S[13CH3] 62a_200025704644_100000150852 [0,2,0,0,0,0|2,0,0]=4 5818 B12R1.77 COC(=O)c1ccncc1SC 62a_100010008606_200000210301 [0,2,0,0,0,0|2,0,0]=4 5819 B12R1.77 COC(=O)c1ccncc1SC 62a_200000210301_100010008606 [0,2,0,0,0,0|2,0,0]=4 5820 B12R1.77 COC(=O)c1ccncc1S[13CH3] 62a_100010008606_200025704644 [0,2,0,0,0,0|2,0,0]=4 5821 B12R1.77 COC(=O)c1ccncc1S[13CH3] 62a_200025704644_100010008606 [0,2,0,0,0,0|2,0,0]=4 5822 B12R1.77 COC(=O)c1cnccc1SC 62a_100020629055_200000210301 [0,2,0,0,0,0|2,0,0]=4 5823 B12R1.77 COC(=O)c1cnccc1SC 62a_200000210301_100020629055 [0,2,0,0,0,0|2,0,0]=4 5824 B12R1.77 COC(=O)c1cnccc1S[13CH3] 62a_100020629055_200025704644 [0,2,0,0,0,0|2,0,0]=4 5825 B12R1.77 COC(=O)c1cnccc1S[13CH3] 62a_200025704644_100020629055 [0,2,0,0,0,0|2,0,0]=4 5826 B12R1.77 COC(=O)c1ncccc1OC 34a_100000744052_200000210301 [0,2,0,0,0,0|2,0,0]=4 5827 B12R1.77 COC(=O)c1ncccc1OC 7a_100000744052_200000210301 [0,2,0,0,0,0|2,0,0]=4 5828 B12R1.77 COC(=O)c1ncccc1O[13CH3] 34a_100000744052_200025704644 [0,2,0,0,0,0|2,0,0]=4 5829 B12R1.77 COC(=O)c1ncccc1O[13CH3] 7a_100000744052_200025704644 [0,2,0,0,0,0|2,0,0]=4 5830 B12R1.77 COC(=O)c1ncccc1SC 62a_100011935214_200000210301 [0,2,0,0,0,0|2,0,0]=4 5831 B12R1.77 COC(=O)c1ncccc1SC 62a_200000210301_100011935214 [0,2,0,0,0,0|2,0,0]=4 5832 B12R1.77 COC(=O)c1ncccc1S[13CH3] 62a_100011935214_200025704644 [0,2,0,0,0,0|2,0,0]=4 5833 B12R1.77 COC(=O)c1ncccc1S[13CH3] 62a_200025704644_100011935214 [0,2,0,0,0,0|2,0,0]=4 5834 B12R1.77 COc1ccccc1C(=O)CBr 7a_100000188908_200000210301 [0,2,0,0,0,0|2,0,0]=4 5835 B12R1.77 COc1ccccc1C(=O)CF 1458a_100000185835_100015361967 [0,2,0,0,0,0|2,0,0]=4 5836 B12R1.77 COc1ccccc1C(=O)NN 34a_100000186518_200000210301 [0,2,0,0,0,0|1,0,0]=3 5837 B12R1.77 COc1ccccc1C(=O)NO 34a_100000188472_200000210301 [0,2,0,0,0,0|1,0,0]=3 5838 B12R1.77 COc1ccccc1C(C)N[13CH3] 2230a_100000185323_200025704644 [0,2,0,0,0,0|1,0,1]=4 5839 B12R1.77 CSc1ccccc1C(=O)CF 1458a_100000183967_100015361967 [0,2,0,0,0,0|2,0,0]=4 5840 B12R1.77 CSc1ccccc1C(=O)NN 62a_100000190081_200000210301 [0,2,0,0,0,0|1,0,0]=3 5841 B12R1.77 CSc1ccccc1C(=O)NN 62a_200000210301_100000190081 [0,2,0,0,0,0|1,0,0]=3 5842 B12R1.77 CSc1ccccc1C(=O)O[Na] 62a_200000210301_114855342371 [0,2,0,0,0,0|2,0,0]=4 5843 B12R1.77 N#Cc1ccccc1C(=O)CF 1458a_100000742908_100015361967 [0,2,0,0,0,0|2,0,0]=4 5844 B12R1.77 O=C(CF)c1ccccc1CO 1458a_100011301526_100015361967 [0,2,0,0,0,0|2,0,0]=4 5845 B12R1.77 O=Ic1ccccc1C(=O)CF 1458a_100000032414_100015361967 [0,2,0,0,0,0|2,0,0]=4 5846 B12R1.77 [13CH3]Oc1ccccc1C(=O)CBr 7a_100000188908_200025704644 [0,2,0,0,0,0|2,0,0]=4 5847 B12R1.77 [13CH3]Oc1ccccc1C(=O)NN 34a_100000186518_200025704644 [0,2,0,0,0,0|1,0,0]=3 5848 B12R1.77 [13CH3]Oc1ccccc1C(=O)NO 34a_100000188472_200025704644 [0,2,0,0,0,0|1,0,0]=3 5849 B12R1.77 [13CH3]Sc1ccccc1C(=O)NN 62a_100000190081_200025704644 [0,2,0,0,0,0|1,0,0]=3 5850 B12R1.77 [13CH3]Sc1ccccc1C(=O)NN 62a_200025704644_100000190081 [0,2,0,0,0,0|1,0,0]=3 5851 B12R1.77 [13CH3]Sc1ccccc1C(=O)O[Na] 62a_200025704644_114855342371 [0,2,0,0,0,0|2,0,0]=4 5852 B12R1.3441 CC(N[13CH3])c1c(cccc1F)F 2230a_100025772709_200025704644 [0,2,0,0,0,0|1,0,1]=4 5853 B12R1.3441 CC(N[13CH3])c1c(cccc1F)F 34a_100025772709_200025704644 [0,2,0,0,0,0|1,0,1]=4 5854 B12R1.3441 CCC(=O)c1c(cccc1Br)Br 1458a_100000690891_100000210202 [0,2,0,0,0,0|1,0,0]=3 5855 B12R1.3441 CCC(=O)c1c(cccc1Br)C 1458a_100000701904_100000210202 [0,2,0,0,0,0|1,0,0]=3 5856 B12R1.3441 CCC(=O)c1c(cccc1Br)Cl 1458a_100011253703_100000210202 [0,2,0,0,0,0|1,0,0]=3 5857 B12R1.3441 CCC(=O)c1c(cccc1Br)F 1458a_100000752694_100000210202 [0,2,0,0,0,0|1,0,0]=3 5858 B12R1.3441 CCC(=O)c1c(cccc1Br)O 1458a_100011935254_100000210202 [0,2,0,0,0,0|1,0,0]=3 5859 B12R1.3441 CCC(=O)c1c(cccc1C)C 1458a_100000758298_100000210202 [0,2,0,0,0,0|1,0,0]=3 5860 B12R1.3441 CCC(=O)c1c(cccc1Cl)C 1458a_100000692601_100000210202 [0,2,0,0,0,0|1,0,0]=3 5861 B12R1.3441 CCC(=O)c1c(cccc1Cl)Cl 1458a_100000210656_100000210202 [0,2,0,0,0,0|1,0,0]=3 5862 B12R1.3441 CCC(=O)c1c(cccc1Cl)F 1458a_100000210369_100000210202 [0,2,0,0,0,0|1,0,0]=3 5863 B12R1.3441 CCC(=O)c1c(cccc1Cl)O 1458a_100000745519_100000210202 [0,2,0,0,0,0|1,0,0]=3 5864 B12R1.3441 CCC(=O)c1c(cccc1F)C 1458a_100000762013_100000210202 [0,2,0,0,0,0|1,0,0]=3 5865 B12R1.3441 CCC(=O)c1c(cccc1F)F 1458a_100000210804_100000210202 [0,2,0,0,0,0|1,0,0]=3 5866 B12R1.3441 CCC(=O)c1c(cccc1F)O 1458a_100000763259_100000210202 [0,2,0,0,0,0|1,0,0]=3 5867 B12R1.3441 CCC(=O)c1c(cccc1I)Br 1458a_100010232521_100000210202 [0,2,0,0,0,0|1,0,0]=3 5868 B12R1.3441 CCC(=O)c1c(cccc1I)C 1458a_100000688020_100000210202 [0,2,0,0,0,0|1,0,0]=3 5869 B12R1.3441 CCC(=O)c1c(cccc1I)Cl 1458a_100000702859_100000210202 [0,2,0,0,0,0|1,0,0]=3 5870 B12R1.3441 CCC(=O)c1c(cccc1I)F 1458a_100000023732_100000210202 [0,2,0,0,0,0|1,0,0]=3 5871 B12R1.3441 CCC(=O)c1c(cccc1O)C 1458a_100011934116_100000210202 [0,2,0,0,0,0|1,0,0]=3 5872 B12R1.3441 CCC(=O)c1c(cccc1O)O 1458a_100000755285_100000210202 [0,2,0,0,0,0|1,0,0]=3 5873 B12R1.3441 CNC(=O)c1c(cccc1Br)Br 11a_106832991635_100000690891 [0,2,0,0,0,0|0,0,0]=2 5874 B12R1.3441 CNC(=O)c1c(cccc1Br)Br 1626a_100102657272_100000690891 [0,2,0,0,0,0|0,0,0]=2 5875 B12R1.3441 CNC(=O)c1c(cccc1Br)Br 240690a_100102657272_100000690891 [0,2,0,0,0,0|0,0,0]=2 5876 B12R1.3441 CNC(=O)c1c(cccc1Br)Br 527a_100102657272_100000690891 [0,2,0,0,0,0|0,0,0]=2 5877 B12R1.3441 CNC(=O)c1c(cccc1Br)C 11a_106832991635_100000701904 [0,2,0,0,0,0|0,0,0]=2 5878 B12R1.3441 CNC(=O)c1c(cccc1Br)C 1626a_100102657272_100000701904 [0,2,0,0,0,0|0,0,0]=2 5879 B12R1.3441 CNC(=O)c1c(cccc1Br)C 240690a_100102657272_100000701904 [0,2,0,0,0,0|0,0,0]=2 5880 B12R1.3441 CNC(=O)c1c(cccc1Br)C 527a_100102657272_100000701904 [0,2,0,0,0,0|0,0,0]=2 5881 B12R1.3441 CNC(=O)c1c(cccc1Br)Cl 11a_106832991635_100011253703 [0,2,0,0,0,0|0,0,0]=2 5882 B12R1.3441 CNC(=O)c1c(cccc1Br)Cl 1626a_100102657272_100011253703 [0,2,0,0,0,0|0,0,0]=2 5883 B12R1.3441 CNC(=O)c1c(cccc1Br)Cl 240690a_100102657272_100011253703 [0,2,0,0,0,0|0,0,0]=2 5884 B12R1.3441 CNC(=O)c1c(cccc1Br)Cl 527a_100102657272_100011253703 [0,2,0,0,0,0|0,0,0]=2 5885 B12R1.3441 CNC(=O)c1c(cccc1Br)F 11a_106832991635_100000752694 [0,2,0,0,0,0|0,0,0]=2 5886 B12R1.3441 CNC(=O)c1c(cccc1Br)F 1626a_100102657272_100000752694 [0,2,0,0,0,0|0,0,0]=2 5887 B12R1.3441 CNC(=O)c1c(cccc1Br)F 240690a_100102657272_100000752694 [0,2,0,0,0,0|0,0,0]=2 5888 B12R1.3441 CNC(=O)c1c(cccc1Br)F 527a_100102657272_100000752694 [0,2,0,0,0,0|0,0,0]=2 5889 B12R1.3441 CNC(=O)c1c(cccc1Br)O 240690a_100102657272_100011935254 [0,2,0,0,0,0|0,0,0]=2 5890 B12R1.3441 CNC(=O)c1c(cccc1Br)O 527a_100102657272_100011935254 [0,2,0,0,0,0|0,0,0]=2 5891 B12R1.3441 CNC(=O)c1c(cccc1C)C 11a_106832991635_100000758298 [0,2,0,0,0,0|0,0,0]=2 5892 B12R1.3441 CNC(=O)c1c(cccc1C)C 1626a_100102657272_100000758298 [0,2,0,0,0,0|0,0,0]=2 5893 B12R1.3441 CNC(=O)c1c(cccc1C)C 240690a_100102657272_100000758298 [0,2,0,0,0,0|0,0,0]=2 5894 B12R1.3441 CNC(=O)c1c(cccc1Cl)C 11a_106832991635_100000692601 [0,2,0,0,0,0|0,0,0]=2 5895 B12R1.3441 CNC(=O)c1c(cccc1Cl)C 1626a_100102657272_100000692601 [0,2,0,0,0,0|0,0,0]=2 5896 B12R1.3441 CNC(=O)c1c(cccc1Cl)C 240690a_100102657272_100000692601 [0,2,0,0,0,0|0,0,0]=2 5897 B12R1.3441 CNC(=O)c1c(cccc1Cl)Cl 11a_106832991635_100000210656 [0,2,0,0,0,0|0,0,0]=2 5898 B12R1.3441 CNC(=O)c1c(cccc1Cl)Cl 1626a_100102657272_100000210656 [0,2,0,0,0,0|0,0,0]=2 5899 B12R1.3441 CNC(=O)c1c(cccc1Cl)Cl 240690a_100102657272_100000210656 [0,2,0,0,0,0|0,0,0]=2 5900 B12R1.3441 CNC(=O)c1c(cccc1Cl)F 11a_106832991635_100000210369 [0,2,0,0,0,0|0,0,0]=2 5901 B12R1.3441 CNC(=O)c1c(cccc1Cl)F 1626a_100102657272_100000210369 [0,2,0,0,0,0|0,0,0]=2 5902 B12R1.3441 CNC(=O)c1c(cccc1Cl)F 240690a_100102657272_100000210369 [0,2,0,0,0,0|0,0,0]=2 5903 B12R1.3441 CNC(=O)c1c(cccc1Cl)F 527a_100102657272_100000210369 [0,2,0,0,0,0|0,0,0]=2 5904 B12R1.3441 CNC(=O)c1c(cccc1Cl)O 240690a_100102657272_100000745519 [0,2,0,0,0,0|0,0,0]=2 5905 B12R1.3441 CNC(=O)c1c(cccc1Cl)O 527a_100102657272_100000745519 [0,2,0,0,0,0|0,0,0]=2 5906 B12R1.3441 CNC(=O)c1c(cccc1F)C 11a_106832991635_100000762013 [0,2,0,0,0,0|0,0,0]=2 5907 B12R1.3441 CNC(=O)c1c(cccc1F)C 1626a_100102657272_100000762013 [0,2,0,0,0,0|0,0,0]=2 5908 B12R1.3441 CNC(=O)c1c(cccc1F)C 240690a_100102657272_100000762013 [0,2,0,0,0,0|0,0,0]=2 5909 B12R1.3441 CNC(=O)c1c(cccc1F)C 527a_100102657272_100000762013 [0,2,0,0,0,0|0,0,0]=2 5910 B12R1.3441 CNC(=O)c1c(cccc1F)F 11a_106832991635_100000210804 [0,2,0,0,0,0|0,0,0]=2 5911 B12R1.3441 CNC(=O)c1c(cccc1F)F 1626a_100102657272_100000210804 [0,2,0,0,0,0|0,0,0]=2 5912 B12R1.3441 CNC(=O)c1c(cccc1F)F 240690a_100102657272_100000210804 [0,2,0,0,0,0|0,0,0]=2 5913 B12R1.3441 CNC(=O)c1c(cccc1F)F 527a_100102657272_100000210804 [0,2,0,0,0,0|0,0,0]=2 5914 B12R1.3441 CNC(=O)c1c(cccc1F)O 271570a_203496583355_100012642803 [0,2,0,0,0,0|0,0,0]=2 5915 B12R1.3441 CNC(=O)c1c(cccc1F)O 527a_100102657272_100000763259 [0,2,0,0,0,0|0,0,0]=2 5916 B12R1.3441 CNC(=O)c1c(cccc1I)Br 11a_106832991635_100010232521 [0,2,0,0,0,0|0,0,0]=2 5917 B12R1.3441 CNC(=O)c1c(cccc1I)Br 1626a_100102657272_100010232521 [0,2,0,0,0,0|0,0,0]=2 5918 B12R1.3441 CNC(=O)c1c(cccc1I)Br 240690a_100102657272_100010232521 [0,2,0,0,0,0|0,0,0]=2 5919 B12R1.3441 CNC(=O)c1c(cccc1I)Br 527a_100102657272_100010232521 [0,2,0,0,0,0|0,0,0]=2 5920 B12R1.3441 CNC(=O)c1c(cccc1I)C 11a_106832991635_100000688020 [0,2,0,0,0,0|0,0,0]=2 5921 B12R1.3441 CNC(=O)c1c(cccc1I)C 1626a_100102657272_100000688020 [0,2,0,0,0,0|0,0,0]=2 5922 B12R1.3441 CNC(=O)c1c(cccc1I)C 240690a_100102657272_100000688020 [0,2,0,0,0,0|0,0,0]=2 5923 B12R1.3441 CNC(=O)c1c(cccc1I)Cl 11a_106832991635_100000702859 [0,2,0,0,0,0|0,0,0]=2 5924 B12R1.3441 CNC(=O)c1c(cccc1I)Cl 1626a_100102657272_100000702859 [0,2,0,0,0,0|0,0,0]=2 5925 B12R1.3441 CNC(=O)c1c(cccc1I)Cl 240690a_100102657272_100000702859 [0,2,0,0,0,0|0,0,0]=2 5926 B12R1.3441 CNC(=O)c1c(cccc1I)Cl 527a_100102657272_100000702859 [0,2,0,0,0,0|0,0,0]=2 5927 B12R1.3441 CNC(=O)c1c(cccc1I)F 11a_106832991635_100000023732 [0,2,0,0,0,0|0,0,0]=2 5928 B12R1.3441 CNC(=O)c1c(cccc1I)F 1626a_100102657272_100000023732 [0,2,0,0,0,0|0,0,0]=2 5929 B12R1.3441 CNC(=O)c1c(cccc1I)F 240690a_100102657272_100000023732 [0,2,0,0,0,0|0,0,0]=2 5930 B12R1.3441 CNC(=O)c1c(cccc1O)O 527a_100102657272_100000755285 [0,2,0,0,0,0|0,0,0]=2 5931 B12R1.3441 CNC(C)c1c(cccc1F)F 2230a_100025772709_200000210301 [0,2,0,0,0,0|1,0,1]=4 5932 B12R1.3441 CNC(C)c1c(cccc1F)F 34a_100025772709_200000210301 [0,2,0,0,0,0|1,0,1]=4 5933 B12R1.3441 CN[C@@H](C)c1c(cccc1C)C 2230a_100016987977_200000210301 [0,2,0,0,0,0|1,0,1]=4 5934 B12R1.3441 CN[C@@H](C)c1c(cccc1C)C 34a_100016987977_200000210301 [0,2,0,0,0,0|1,0,1]=4 5935 B12R1.3441 CN[C@H](C)c1c(cccc1Cl)Cl 2230a_100016989663_200000210301 [0,2,0,0,0,0|1,0,1]=4 5936 B12R1.3441 CN[C@H](C)c1c(cccc1Cl)Cl 34a_100016989663_200000210301 [0,2,0,0,0,0|1,0,1]=4 5937 B12R1.3441 CN[C@H](C)c1c(cccc1Cl)F 2230a_100011997870_200000210301 [0,2,0,0,0,0|1,0,1]=4 5938 B12R1.3441 CN[C@H](C)c1c(cccc1Cl)F 34a_100011997870_200000210301 [0,2,0,0,0,0|1,0,1]=4 5939 B12R1.3441 COC(=O)c1c(cccc1Br)O 271570a_203496583355_100010247157 [0,2,0,0,0,0|1,0,0]=3 5940 B12R1.3441 COC(=O)c1c(cccc1Cl)O 271570a_203496583355_100010150959 [0,2,0,0,0,0|1,0,0]=3 5941 B12R1.3441 COC(=O)c1c(cccc1F)O 271570a_203496583355_100000150693 [0,2,0,0,0,0|1,0,0]=3 5942 B12R1.3441 COC(=O)c1c(cccc1O)C 271570a_203496583355_100010204206 [0,2,0,0,0,0|1,0,0]=3 5943 B12R1.3441 COC(=O)c1c(cccc1O)N 271570a_203496583355_100010253892 [0,2,0,0,0,0|1,0,0]=3 5944 B12R1.3441 COC(=O)c1c(ccnc1Cl)O 271570a_203496583355_100010138530 [0,2,0,0,0,0|2,0,0]=4 5945 B12R1.3441 COC(=O)c1c(ccnc1F)O 271570a_203496583355_100010150474 [0,2,0,0,0,0|2,0,0]=4 5946 B12R1.3441 COC(=O)c1c(ccnc1O)F 271570a_203496583355_100015560809 [0,2,0,0,0,0|2,0,0]=4 5947 B12R1.3441 COC(=O)c1c(ccnc1O)N 271570a_203496583355_100009985557 [0,2,0,0,0,0|2,0,0]=4 5948 B12R1.3441 COC(=O)c1c(cncc1F)O 271570a_203496583355_100010189632 [0,2,0,0,0,0|2,0,0]=4 5949 B12R1.3441 C[C@@H](N[13CH3])c1c(cccc1Cl)Cl 2230a_100016989663_200025704644 [0,2,0,0,0,0|1,0,1]=4 5950 B12R1.3441 C[C@@H](N[13CH3])c1c(cccc1Cl)Cl 34a_100016989663_200025704644 [0,2,0,0,0,0|1,0,1]=4 5951 B12R1.3441 C[C@@H](N[13CH3])c1c(cccc1Cl)F 2230a_100011997870_200025704644 [0,2,0,0,0,0|1,0,1]=4 5952 B12R1.3441 C[C@@H](N[13CH3])c1c(cccc1Cl)F 34a_100011997870_200025704644 [0,2,0,0,0,0|1,0,1]=4 5953 B12R1.3441 Cc1cccc(c1C(=O)CF)Br 1458a_100000701904_100015361967 [0,2,0,0,0,0|2,0,0]=4 5954 B12R1.3441 Cc1cccc(c1C(=O)CF)C 1458a_100000758298_100015361967 [0,2,0,0,0,0|2,0,0]=4 5955 B12R1.3441 Cc1cccc(c1C(=O)CF)Cl 1458a_100000692601_100015361967 [0,2,0,0,0,0|2,0,0]=4 5956 B12R1.3441 Cc1cccc(c1C(=O)CF)F 1458a_100000762013_100015361967 [0,2,0,0,0,0|2,0,0]=4 5957 B12R1.3441 Cc1cccc(c1C(=O)CF)I 1458a_100000688020_100015361967 [0,2,0,0,0,0|2,0,0]=4 5958 B12R1.3441 Cc1cccc(c1C(=O)CF)O 1458a_100011934116_100015361967 [0,2,0,0,0,0|2,0,0]=4 5959 B12R1.3441 Cc1cccc(c1[C@H](C)N[13CH3])C 2230a_100016987977_200025704644 [0,2,0,0,0,0|1,0,1]=4 5960 B12R1.3441 Cc1cccc(c1[C@H](C)N[13CH3])C 34a_100016987977_200025704644 [0,2,0,0,0,0|1,0,1]=4 5961 B12R1.3441 O=C(CF)c1c(cccc1Br)Br 1458a_100000690891_100015361967 [0,2,0,0,0,0|2,0,0]=4 5962 B12R1.3441 O=C(CF)c1c(cccc1Br)Cl 1458a_100011253703_100015361967 [0,2,0,0,0,0|2,0,0]=4 5963 B12R1.3441 O=C(CF)c1c(cccc1Br)F 1458a_100000752694_100015361967 [0,2,0,0,0,0|2,0,0]=4 5964 B12R1.3441 O=C(CF)c1c(cccc1Br)O 1458a_100011935254_100015361967 [0,2,0,0,0,0|2,0,0]=4 5965 B12R1.3441 O=C(CF)c1c(cccc1Cl)Cl 1458a_100000210656_100015361967 [0,2,0,0,0,0|2,0,0]=4 5966 B12R1.3441 O=C(CF)c1c(cccc1Cl)F 1458a_100000210369_100015361967 [0,2,0,0,0,0|2,0,0]=4 5967 B12R1.3441 O=C(CF)c1c(cccc1Cl)O 1458a_100000745519_100015361967 [0,2,0,0,0,0|2,0,0]=4 5968 B12R1.3441 O=C(CF)c1c(cccc1F)F 1458a_100000210804_100015361967 [0,2,0,0,0,0|2,0,0]=4 5969 B12R1.3441 O=C(CF)c1c(cccc1F)O 1458a_100000763259_100015361967 [0,2,0,0,0,0|2,0,0]=4 5970 B12R1.3441 O=C(CF)c1c(cccc1I)Br 1458a_100010232521_100015361967 [0,2,0,0,0,0|2,0,0]=4 5971 B12R1.3441 O=C(CF)c1c(cccc1I)Cl 1458a_100000702859_100015361967 [0,2,0,0,0,0|2,0,0]=4 5972 B12R1.3441 O=C(CF)c1c(cccc1I)F 1458a_100000023732_100015361967 [0,2,0,0,0,0|2,0,0]=4 5973 B12R1.3441 O=C(CF)c1c(cccc1O)O 1458a_100000755285_100015361967 [0,2,0,0,0,0|2,0,0]=4 5974 B10R1.176 C=Cc1c[nH]c(=O)c(c1)Br 271570a_100011290941_100010125443 [0,0,1,1,0,0|1,0,1]=4 5975 B10R1.176 C=Cc1c[nH]c(=O)c(c1)F 271570a_100011290941_100000723523 [0,0,1,1,0,0|1,0,1]=4 5976 B10R1.176 C=Cc1c[nH]c(=O)c(c1)O 271570a_100011290941_100009814561 [0,0,1,1,0,0|1,0,1]=4 5977 B10R1.176 C=Cc1cc(c(=O)[nH]n1)C 271570a_100011290941_100012187101 [0,0,1,1,0,0|1,0,1]=4 5978 B10R1.176 C=Cc1cc(c(=O)[nH]n1)N 271570a_100011290941_100000102183 [0,0,1,1,0,0|2,0,0]=4 5979 B10R1.2 C=Cc1cccc(c1C)C 271570a_100011290941_100011214922 [0,0,1,1,0,0|2,0,0]=4 5980 B10R1.2 C=Cc1cccc(c1Cl)C 271570a_100011290941_200012352035 [0,0,1,1,0,0|2,0,0]=4 5981 B10R1.2 C=Cc1cccc(c1F)C 271570a_100011290941_100000717567 [0,0,1,1,0,0|2,0,0]=4 5982 B10R1.2 C=Cc1cccc(c1N)C 271570a_100011290941_100011834072 [0,0,1,1,0,0|2,0,0]=4 5983 B10R1.2 C=Cc1cccc(c1O)C 271570a_100011290941_100009817157 [0,0,1,1,0,0|1,0,1]=4 5984 B10R1.2 C=Cc1cccn(c1=O)C 271570a_100011290941_100000687173 [0,0,1,1,0,0|0,0,0]=2 5985 B10R1.2 COc1cccn(c1=O)C 34a_100000117616_200000210301 [0,0,1,1,0,0|1,0,1]=4 5986 B10R1.2 COc1cccn(c1=O)C 7a_100000117616_200000210301 [0,0,1,1,0,0|1,0,1]=4 5987 B10R1.2 CSc1cccn(c1=O)C 62a_100000687173_200000210301 [0,0,1,1,0,0|1,0,1]=4 5988 B10R1.2 CSc1cccn(c1=O)C 62a_200000210301_100000687173 [0,0,1,1,0,0|1,0,1]=4 5989 B10R1.2 Cn1cccc(c1=O)O[13CH3] 34a_100000117616_200025704644 [0,0,1,1,0,0|1,0,1]=4 5990 B10R1.2 Cn1cccc(c1=O)O[13CH3] 7a_100000117616_200025704644 [0,0,1,1,0,0|1,0,1]=4 5991 B10R1.2 Cn1cccc(c1=O)S[13CH3] 62a_100000687173_200025704644 [0,0,1,1,0,0|1,0,1]=4 5992 B10R1.2 Cn1cccc(c1=O)S[13CH3] 62a_200025704644_100000687173 [0,0,1,1,0,0|1,0,1]=4 5993 B10R1.20 C=Cc1ccccc1CC 271570a_100011290941_100011215823 [0,0,1,1,0,0|2,0,0]=4 5994 B10R1.20 C=Cc1ccccc1NC 271570a_100011290941_100020606079 [0,0,1,1,0,0|1,0,0]=3 5995 B10R1.20 C=Cc1ccccc1NC 34a_100012022501_200000210301 [0,0,1,1,0,0|1,0,0]=3 5996 B10R1.20 C=Cc1ccccc1NN 271570a_100011290941_100000241748 [0,0,1,1,0,0|2,0,0]=4 5997 B10R1.20 C=Cc1ccccc1N[13CH3] 34a_100012022501_200025704644 [0,0,1,1,0,0|1,0,0]=3 5998 B10R1.20 C=Cc1ccccc1OC 271570a_100011290941_100000174000 [0,0,1,1,0,0|2,0,0]=4 5999 B10R1.20 C=Cc1ccccc1SC 271570a_100011290941_100011217816 [0,0,1,1,0,0|2,0,0]=4 6000 B10R1.20 C=Cc1ccccc1SC 62a_100011218376_200000210301 [0,0,1,1,0,0|2,0,0]=4 6001 B10R1.20 C=Cc1ccccc1SC 62a_200000210301_100011218376 [0,0,1,1,0,0|2,0,0]=4 6002 B10R1.20 C=Cc1ccccc1S[13CH3] 62a_100011218376_200025704644 [0,0,1,1,0,0|2,0,0]=4 6003 B10R1.20 C=Cc1ccccc1S[13CH3] 62a_200025704644_100011218376 [0,0,1,1,0,0|2,0,0]=4 6004 B10R1.20 C=Cc1cccnc1CC 271570a_100011290941_100009877225 [0,0,1,1,0,0|2,0,0]=4 6005 B10R1.20 C=Cc1cccnc1NC 271570a_100011290941_100000700899 [0,0,1,1,0,0|1,0,0]=3 6006 B10R1.20 C=Cc1cccnc1NN 271570a_100011290941_100011464834 [0,0,1,1,0,0|2,0,0]=4 6007 B10R1.20 C=Cc1cccnc1OC 271570a_100011290941_100000047025 [0,0,1,1,0,0|2,0,0]=4 6008 B10R1.20 C=Cc1cccnc1SC 271570a_100011290941_100011465278 [0,0,1,1,0,0|2,0,0]=4 6009 B10R1.20 C=Cc1cnccc1NC 271570a_100011290941_100010069531 [0,0,1,1,0,0|2,0,0]=4 6010 B10R1.20 C=Cc1cncnc1NC 271570a_100011290941_200012180720 [0,0,1,1,0,0|2,0,0]=4 6011 B10R1.20 C=Cc1ncccc1NC 271570a_100011290941_200011806188 [0,0,1,1,0,0|2,0,0]=4 6012 B10R1.20 C=Cc1nccnc1NC 271570a_100011290941_100011529439 [0,0,1,1,0,0|2,0,0]=4 6013 B10R1.27 CNC(=O)Cc1ccc[nH]1 11a_106832991635_100000238377 [0,0,1,1,0,0|1,0,1]=4 6014 B10R1.27 CNC(=O)Cc1ccc[nH]1 240690a_100102657272_100000238377 [0,0,1,1,0,0|1,0,1]=4 6015 B10R1.27 CNC(=O)Cc1ccc[nH]1 527a_100102657272_100000238377 [0,0,1,1,0,0|1,0,1]=4 6016 B10R1.27 CNC(=O)Cc1ccco1 11a_106832991635_100011217309 [0,0,1,1,0,0|1,0,1]=4 6017 B10R1.27 CNC(=O)Cc1ccco1 527a_100102657272_100011217309 [0,0,1,1,0,0|1,0,1]=4 6018 B10R1.27 CNC(=O)Cc1cccs1 11a_106832991635_100000210189 [0,0,1,1,0,0|1,0,1]=4 6019 B10R1.27 CNC(=O)Cc1cccs1 1626a_100102657272_100000210189 [0,0,1,1,0,0|1,0,1]=4 6020 B10R1.27 CNC(=O)Cc1cccs1 240690a_100102657272_100000210189 [0,0,1,1,0,0|1,0,1]=4 6021 B10R1.27 CNC(=O)Cc1ccoc1 11a_106832991635_100000684892 [0,0,1,1,0,0|1,0,1]=4 6022 B10R1.27 CNC(=O)Cc1ccoc1 1626a_100102657272_100000684892 [0,0,1,1,0,0|1,0,1]=4 6023 B10R1.27 CNC(=O)Cc1ccoc1 240690a_100102657272_100000684892 [0,0,1,1,0,0|1,0,1]=4 6024 B10R1.27 CNC(=O)Cc1ccoc1 527a_100102657272_100000684892 [0,0,1,1,0,0|1,0,1]=4 6025 B10R1.27 CNC(=O)Cc1ccsc1 11a_106832991635_100000184062 [0,0,1,1,0,0|1,0,1]=4 6026 B10R1.27 CNC(=O)Cc1ccsc1 1626a_100102657272_100000184062 [0,0,1,1,0,0|1,0,1]=4 6027 B10R1.27 CNC(=O)Cc1ccsc1 240690a_100102657272_100000184062 [0,0,1,1,0,0|1,0,1]=4 6028 B10R1.27 CNC(=O)Cc1ccsc1 527a_100102657272_100000184062 [0,0,1,1,0,0|1,0,1]=4 6029 B10R1.27 CNC(=O)Cn1cccc1 11a_106832991635_100011196272 [0,0,1,1,0,0|1,0,1]=4 6030 B10R1.27 CNC(=O)Cn1cccc1 1626a_100102657272_100011196272 [0,0,1,1,0,0|1,0,1]=4 6031 B10R1.27 CNC(=O)Cn1cccc1 527a_100102657272_100011196272 [0,0,1,1,0,0|1,0,1]=4 6032 B10R1.172 C=Cc1cc(ccn1)NC 271570a_100011290941_100009869472 [0,0,1,1,0,0|2,0,0]=4 6033 B10R1.172 C=Cc1cccc(c1)CC 271570a_100011290941_100000684523 [0,0,1,1,0,0|2,0,0]=4 6034 B10R1.172 C=Cc1cccc(c1)NC 271570a_100011290941_100000219648 [0,0,1,1,0,0|1,0,0]=3 6035 B10R1.172 C=Cc1cccc(c1)NC 34a_100011827668_200000210301 [0,0,1,1,0,0|1,0,0]=3 6036 B10R1.172 C=Cc1cccc(c1)NN 271570a_100011290941_100000217339 [0,0,1,1,0,0|2,0,0]=4 6037 B10R1.172 C=Cc1cccc(c1)N[13CH3] 34a_100011827668_200025704644 [0,0,1,1,0,0|1,0,0]=3 6038 B10R1.172 C=Cc1cccc(c1)OC 271570a_100011290941_100000170001 [0,0,1,1,0,0|2,0,0]=4 6039 B10R1.172 C=Cc1cccc(c1)OC 34a_100011309434_200000210301 [0,0,1,1,0,0|2,0,0]=4 6040 B10R1.172 C=Cc1cccc(c1)OC 7a_100011309434_200000210301 [0,0,1,1,0,0|2,0,0]=4 6041 B10R1.172 C=Cc1cccc(c1)O[13CH3] 34a_100011309434_200025704644 [0,0,1,1,0,0|2,0,0]=4 6042 B10R1.172 C=Cc1cccc(c1)O[13CH3] 7a_100011309434_200025704644 [0,0,1,1,0,0|2,0,0]=4 6043 B10R1.172 C=Cc1cccc(c1)SC 271570a_100011290941_100011215954 [0,0,1,1,0,0|2,0,0]=4 6044 B10R1.172 C=Cc1cccc(c1)SC 62a_100011215241_200000210301 [0,0,1,1,0,0|2,0,0]=4 6045 B10R1.172 C=Cc1cccc(c1)SC 62a_200000210301_100011215241 [0,0,1,1,0,0|2,0,0]=4 6046 B10R1.172 C=Cc1cccc(c1)S[13CH3] 62a_100011215241_200025704644 [0,0,1,1,0,0|2,0,0]=4 6047 B10R1.172 C=Cc1cccc(c1)S[13CH3] 62a_200025704644_100011215241 [0,0,1,1,0,0|2,0,0]=4 6048 B10R1.172 C=Cc1cccc(n1)CC 271570a_100011290941_100009856026 [0,0,1,1,0,0|2,0,0]=4 6049 B10R1.172 C=Cc1cccc(n1)NC 271570a_100011290941_100000703281 [0,0,1,1,0,0|1,0,0]=3 6050 B10R1.172 C=Cc1cccc(n1)NN 271570a_100011290941_100009817029 [0,0,1,1,0,0|2,0,0]=4 6051 B10R1.172 C=Cc1cccc(n1)OC 271570a_100011290941_100000760917 [0,0,1,1,0,0|2,0,0]=4 6052 B10R1.172 C=Cc1cccc(n1)SC 271570a_100011290941_100011960944 [0,0,1,1,0,0|2,0,0]=4 6053 B10R1.172 C=Cc1ccnc(c1)NC 271570a_100011290941_100009819592 [0,0,1,1,0,0|2,0,0]=4 6054 B10R1.172 C=Cc1ccnc(n1)NC 271570a_100011290941_100012000420 [0,0,1,1,0,0|2,0,0]=4 6055 B10R1.172 C=Cc1cncc(c1)NC 271570a_100011290941_100012184536 [0,0,1,1,0,0|2,0,0]=4 6056 B10R1.172 C=Cc1cncc(n1)NC 271570a_100011290941_100011529438 [0,0,1,1,0,0|2,0,0]=4 6057 B10R1.172 C=Cc1nccc(n1)NC 271570a_100011290941_100011649947 [0,0,1,1,0,0|2,0,0]=4 6058 B10R2.6 c1ccc(cc1)C2CC2 271570a_100011220607_100000210277 [1,0,0,1,0,0|1,0,1]=4 6059 B12R2.11 CN1C[C@@H]1Cc2ccccc2 2230a_100016998360_200000210301 [0,0,0,1,0,1|1,0,1]=4 6060 B12R2.11 CN1C[C@@H]1Cc2ccccc2 269982a_100016998360_200000210301 [0,0,0,1,0,1|1,0,1]=4 6061 B12R2.11 CN1C[C@@H]1Cc2ccccc2 34a_100016998360_200000210301 [0,0,0,1,0,1|1,0,1]=4 6062 B12R2.11 [13CH3]N1C[C@@H]1Cc2ccccc2 2230a_100016998360_200025704644 [0,0,0,1,0,1|1,0,1]=4 6063 B12R2.11 [13CH3]N1C[C@@H]1Cc2ccccc2 269982a_100016998360_200025704644 [0,0,0,1,0,1|1,0,1]=4 6064 B12R2.11 [13CH3]N1C[C@@H]1Cc2ccccc2 34a_100016998360_200025704644 [0,0,0,1,0,1|1,0,1]=4 6065 B12R2.18 Cc1c(sc2c1cccc2)O 271570a_203496583355_200010198769 [0,0,0,1,0,1|1,0,1]=4 6066 B12R2.18 Cn1c(nc2c1cccc2)O 271570a_203496583355_200000239431 [0,0,0,1,0,1|0,0,1]=3 6067 B12R2.27 CN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_200000210301 [0,0,0,1,0,1|1,0,1]=4 6068 B12R2.27 CN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_200000210301 [0,0,0,1,0,1|1,0,1]=4 6069 B12R2.27 [13CH3]N[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_200025704644 [0,0,0,1,0,1|1,0,1]=4 6070 B12R2.27 [13CH3]N[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_200025704644 [0,0,0,1,0,1|1,0,1]=4 6071 B12R2.32 CNC1Cc2ccccc2C1 2230a_100000753258_200000210301 [0,0,0,1,0,1|1,0,1]=4 6072 B12R2.32 CNC1Cc2ccccc2C1 34a_100000753258_200000210301 [0,0,0,1,0,1|1,0,1]=4 6073 B12R2.32 CNC1Cc2ccccc2C1 34a_100102657272_100000753484 [0,0,0,1,0,1|1,0,1]=4 6074 B12R2.32 CNC1Cc2ccccc2C1 7a_106832991635_100000753484 [0,0,0,1,0,1|1,0,1]=4 6075 B12R2.32 CNc1nc2ccccc2[nH]1 27a_100102657272_100009814255 [0,0,0,1,0,1|1,0,0]=3 6076 B12R2.32 CNc1nc2ccccc2s1 27a_100102657272_100000751744 [0,0,0,1,0,1|0,1,0]=3 6077 B12R2.32 CNc1nc2cccnc2s1 27a_100102657272_100010188088 [0,0,0,1,0,1|1,1,0]=4 6078 B12R2.32 CSc1cc2ccccc2[nH]1 62a_200000210301_100010232065 [0,0,0,1,0,1|2,0,0]=4 6079 B12R2.32 CSc1cc2ccccc2o1 62a_200000210301_100010159458 [0,0,0,1,0,1|1,0,1]=4 6080 B12R2.32 CSc1cc2ccccc2s1 62a_200000210301_100009816949 [0,0,0,1,0,1|1,1,0]=4 6081 B12R2.32 CSc1nc2ccccc2[nH]1 62a_200000210301_100009814255 [0,0,0,1,0,1|2,0,0]=4 6082 B12R2.32 CSc1nc2ccccc2s1 62a_200000210301_100000751744 [0,0,0,1,0,1|1,1,0]=4 6083 B12R2.32 [13CH3]NC1Cc2ccccc2C1 2230a_100000753258_200025704644 [0,0,0,1,0,1|1,0,1]=4 6084 B12R2.32 [13CH3]NC1Cc2ccccc2C1 34a_100000753258_200025704644 [0,0,0,1,0,1|1,0,1]=4 6085 B12R2.32 [13CH3]Sc1cc2ccccc2[nH]1 62a_200025704644_100010232065 [0,0,0,1,0,1|2,0,0]=4 6086 B12R2.32 [13CH3]Sc1cc2ccccc2o1 62a_200025704644_100010159458 [0,0,0,1,0,1|1,0,1]=4 6087 B12R2.32 [13CH3]Sc1cc2ccccc2s1 62a_200025704644_100009816949 [0,0,0,1,0,1|1,1,0]=4 6088 B12R2.32 [13CH3]Sc1nc2ccccc2[nH]1 62a_200025704644_100009814255 [0,0,0,1,0,1|2,0,0]=4 6089 B12R2.32 [13CH3]Sc1nc2ccccc2s1 62a_200025704644_100000751744 [0,0,0,1,0,1|1,1,0]=4 6090 B12R2.48 CNC1(CC1)c2ccccc2 2230a_100000749958_200000210301 [0,1,0,1,0,0|1,0,1]=4 6091 B12R2.48 [13CH3]NC1(CC1)c2ccccc2 2230a_100000749958_200025704644 [0,1,0,1,0,0|1,0,1]=4 6092 B12R2.1 CNC1CCc2c1cccc2 2230a_106832991635_200000721974 [0,1,0,1,0,0|1,0,1]=4 6093 B12R2.1 CNC1CCc2c1cccc2 269862a_106832991636_100000212051 [0,1,0,1,0,0|1,0,1]=4 6094 B12R2.1 CNC1COc2c1cccc2 2230a_100000747519_200000210301 [0,1,0,1,0,0|0,0,2]=4 6095 B12R2.1 CN[C@H]1CCc2c1cccc2 2230a_100016989578_200000210301 [0,1,0,1,0,0|1,0,1]=4 6096 B12R2.1 CN[C@H]1CCc2c1cccc2 34a_100016989578_200000210301 [0,1,0,1,0,0|1,0,1]=4 6097 B12R2.1 CNc1n[nH]c2c1cccn2 27a_100102657272_100009818534 [0,1,0,1,0,0|2,0,0]=4 6098 B12R2.1 CNc1n[nH]c2c1cncc2 27a_100102657272_100009820117 [0,1,0,1,0,0|2,0,0]=4 6099 B12R2.1 CNc1n[nH]c2c1nccc2 27a_100102657272_100009817118 [0,1,0,1,0,0|2,0,0]=4 6100 B12R2.1 COc1csc2c1cccc2 34a_100000077758_200000210301 [0,1,0,1,0,0|1,1,0]=4 6101 B12R2.1 COc1csc2c1cccc2 7a_100000077758_200000210301 [0,1,0,1,0,0|1,1,0]=4 6102 B12R2.1 CSc1coc2c1cccc2 62a_200000210301_100009812202 [0,1,0,1,0,0|1,0,1]=4 6103 B12R2.1 CSc1csc2c1cccc2 62a_200000210301_100009813928 [0,1,0,1,0,0|1,1,0]=4 6104 B12R2.1 CSc1n[nH]c2c1cccc2 62a_200000210301_100000050141 [0,1,0,1,0,0|2,0,0]=4 6105 B12R2.1 CSc1noc2c1cccc2 62a_200000210301_200000703156 [0,1,0,1,0,0|1,0,1]=4 6106 B12R2.1 CSc1noc2c1cccc2 62a_200000703156_200000210301 [0,1,0,1,0,0|1,0,1]=4 6107 B12R2.1 [13CH3]NC1COc2c1cccc2 2230a_100000747519_200025704644 [0,1,0,1,0,0|0,0,2]=4 6108 B12R2.1 [13CH3]N[C@H]1CCc2c1cccc2 2230a_100016989578_200025704644 [0,1,0,1,0,0|1,0,1]=4 6109 B12R2.1 [13CH3]N[C@H]1CCc2c1cccc2 34a_100016989578_200025704644 [0,1,0,1,0,0|1,0,1]=4 6110 B12R2.1 [13CH3]Oc1csc2c1cccc2 34a_100000077758_200025704644 [0,1,0,1,0,0|1,1,0]=4 6111 B12R2.1 [13CH3]Oc1csc2c1cccc2 7a_100000077758_200025704644 [0,1,0,1,0,0|1,1,0]=4 6112 B12R2.1 [13CH3]Sc1coc2c1cccc2 62a_200025704644_100009812202 [0,1,0,1,0,0|1,0,1]=4 6113 B12R2.1 [13CH3]Sc1csc2c1cccc2 62a_200025704644_100009813928 [0,1,0,1,0,0|1,1,0]=4 6114 B12R2.1 [13CH3]Sc1n[nH]c2c1cccc2 62a_200025704644_100000050141 [0,1,0,1,0,0|2,0,0]=4 6115 B12R2.1 [13CH3]Sc1noc2c1cccc2 62a_200000703156_200025704644 [0,1,0,1,0,0|1,0,1]=4 6116 B12R2.1 [13CH3]Sc1noc2c1cccc2 62a_200025704644_200000703156 [0,1,0,1,0,0|1,0,1]=4 6117 B12R2.2 C1=C(CCC1)c2ccccc2 271570a_100000089523_100000210277 [0,1,0,1,0,0|2,0,0]=4 6118 B12R2.2 C1=C(CCO1)c2ccccc2 271570a_100000118173_100000210277 [0,1,0,1,0,0|1,0,1]=4 6119 B12R2.2 C1=C(COC1)c2ccccc2 271570a_100009872500_100000210277 [0,1,0,1,0,0|1,0,1]=4 6120 B12R2.2 c1ccc(cc1)c2c[nH]cn2 271570a_100011218836_100000756875 [0,1,0,1,0,0|1,0,1]=4 6121 B12R2.2 c1ccc(cc1)c2cc[nH]c2 271570a_100000102155_100000210277 [0,1,0,1,0,0|1,0,1]=4 6122 B12R2.2 c1ccc(cc1)c2cc[nH]n2 271570a_100000062414_100000210277 [0,1,0,1,0,0|1,0,1]=4 6123 B12R2.2 c1ccc(cc1)c2cc[nH]n2 271570a_100011218836_100000062575 [0,1,0,1,0,0|1,0,1]=4 6124 B12R2.2 c1ccc(cc1)c2cn[nH]c2 271570a_100000041997_100000210277 [0,1,0,1,0,0|2,0,0]=4 6125 B12R2.2 c1ccc(cc1)c2cn[nH]c2 271570a_100011218836_100000238712 [0,1,0,1,0,0|2,0,0]=4 6126 B12R2.2 c1ccc(cc1)c2nc[nH]n2 271570a_100011218836_100000761765 [0,1,0,1,0,0|1,0,1]=4 6127 B12R2.2 c1ccc(cc1)c2ncc[nH]2 271570a_100011218836_100025796157 [0,1,0,1,0,0|1,0,1]=4 6128 B12R2.2 c1ccc(cc1)c2ncc[nH]2 271570a_100016988920_100000210277 [0,1,0,1,0,0|1,0,1]=4 6129 B12R2.2028 Cn1cc(c2c1nccc2)O 271570a_203496583355_100010205794 [0,1,0,1,0,0|1,0,1]=4 6130 B12R2.2028 Cn1nc(c2c1cccc2)O 271570a_203496583355_100009817141 [0,1,0,1,0,0|0,0,1]=3 6131 B12R2.2028 Cn1nc(c2c1cccn2)O 271570a_203496583355_100000761950 [0,1,0,1,0,0|1,0,1]=4 6132 B12R2.2028 Cn1nc(c2c1nccc2)O 271570a_203496583355_100010248644 [0,1,0,1,0,0|1,0,1]=4 6133 B12R2.2075 C=C(c1ccccc1)C2CC2 271570a_100010895485_100000210277 [0,1,0,1,0,0|2,0,0]=4 6134 B12R2.612 O=C1C=Cc2c1ccc(c2)O 271570a_203496583355_100010210589 [0,1,0,1,0,0|1,0,1]=4 6135 B12R2.612 O=C1CCc2c1ccc(c2)O 271570a_203496583355_100000737041 [0,1,0,1,0,0|1,0,0]=3 6136 B12R2.612 O=C1COc2c1ccc(c2)O 271570a_203496583355_100000686717 [0,1,0,1,0,0|2,0,0]=4 6137 B12R2.612 O=C1NCc2c1ccc(c2)O 271570a_203496583355_100000692135 [0,1,0,1,0,0|0,0,0]=2 6138 B12R2.612 O=C1NCc2c1ccc(n2)O 271570a_203496583355_200009864240 [0,1,0,1,0,0|1,0,0]=3 6139 B12R2.612 O=C1OCc2c1ccc(c2)O 271570a_203496583355_100009816608 [0,1,0,1,0,0|1,0,0]=3 6140 B12R2.612 O=c1[nH][nH]c2c1ccc(c2)O 271570a_203496583355_100012353722 [0,1,0,1,0,0|1,0,0]=3 6141 B12R2.612 O=c1[nH][nH]c2c1cnc(c2)O 271570a_203496583355_100016039622 [0,1,0,1,0,0|2,0,0]=4 6142 B12R2.132 O=C1CCc2c1cc(cc2)O 271570a_203496583355_100000759401 [0,1,0,1,0,0|1,0,0]=3 6143 B12R2.132 O=C1CCc2c1cc(cn2)O 271570a_203496583355_100010174022 [0,1,0,1,0,0|2,0,0]=4 6144 B12R2.132 O=C1CCc2c1nc(cc2)O 271570a_203496583355_100000701527 [0,1,0,1,0,0|2,0,0]=4 6145 B12R2.132 O=C1COc2c1cc(cc2)O 271570a_203496583355_100000752586 [0,1,0,1,0,0|2,0,0]=4 6146 B12R2.132 O=C1NCc2c1cc(cc2)O 271570a_203496583355_100010171230 [0,1,0,1,0,0|0,0,0]=2 6147 B12R2.132 O=C1OCc2c1cc(cc2)O 271570a_203496583355_100000693025 [0,1,0,1,0,0|1,0,0]=3 6148 B12R2.132 O=c1[nH][nH]c2c1cc(cc2)O 271570a_203496583355_100012353726 [0,1,0,1,0,0|1,0,0]=3 6149 B12R2.132 O=c1[nH]nc2n1cc(cc2)O 271570a_203496583355_100010235869 [0,1,0,1,0,0|2,0,0]=4 6150 B12R2.132 O=c1[nH]oc2c1cc(cc2)O 271570a_203496583355_100000732257 [0,1,0,1,0,0|1,0,0]=3 6151 B12R2.196 O=C1CCc2c1cccc2O 271570a_203496583355_100000744605 [0,1,0,1,0,0|1,0,0]=3 6152 B12R2.196 O=C1COc2c1cccc2O 271570a_203496583355_100011230590 [0,1,0,1,0,0|2,0,0]=4 6153 B12R2.196 O=C1NCc2c1cccc2O 271570a_203496583355_100000688282 [0,1,0,1,0,0|0,0,0]=2 6154 B12R2.196 O=C1OCc2c1cccc2O 271570a_203496583355_100010167076 [0,1,0,1,0,0|1,0,0]=3 6155 B12R2.196 O=c1[nH][nH]c2c1cccc2O 271570a_203496583355_100012199144 [0,1,0,1,0,0|1,0,0]=3 6156 B12R2.3190 CN(C)C1Cc2c1cccc2 269982a_100102631434_100009813401 [0,1,0,1,0,0|1,0,1]=4 6157 B12R2.203 O=C1CCc2c1c(ccc2)O 271570a_203496583355_100009816781 [0,1,0,1,0,0|1,0,0]=3 6158 B12R2.203 O=C1COc2c1c(ccc2)O 271570a_203496583355_100010205902 [0,1,0,1,0,0|2,0,0]=4 6159 B12R2.203 O=C1NCc2c1c(ccc2)O 271570a_203496583355_100000724024 [0,1,0,1,0,0|0,0,0]=2 6160 B12R2.203 O=C1OCc2c1c(ccc2)O 271570a_203496583355_100010132333 [0,1,0,1,0,0|1,0,0]=3 6161 B12R2.203 O=c1[nH][nH]c2c1c(ccc2)O 271570a_203496583355_100010170957 [0,1,0,1,0,0|1,0,0]=3 6162 B8R1.7 C=C(C)c1ccco1 271570a_100000694244_100009814098 [1,0,0,0,1,0|2,0,0]=4 6163 B8R1.7 C=C(C)c1cccs1 271570a_100000694244_100011215356 [1,0,0,0,1,0|2,0,0]=4 6164 B8R1.7 C=C(C)c1ccoc1 271570a_100000694244_100011215275 [1,0,0,0,1,0|2,0,0]=4 6165 B8R1.7 C=C(C)c1ccsc1 271570a_100000694244_100000738268 [1,0,0,0,1,0|2,0,0]=4 6166 B8R1.8 CC=Cc1ccco1 271570a_100016259895_100009814098 [1,0,0,0,1,0|2,0,0]=4 6167 B8R1.8 CC=Cc1cccs1 271570a_100016259895_100011215356 [1,0,0,0,1,0|2,0,0]=4 6168 B8R1.8 CC=Cc1ccoc1 271570a_100016259895_100011215275 [1,0,0,0,1,0|2,0,0]=4 6169 B8R1.8 CC=Cc1ccsc1 271570a_100016259895_100000738268 [1,0,0,0,1,0|2,0,0]=4 6170 B8R1.8 CNCc1ccco1 207a_100102657272_100000186105 [1,0,0,0,1,0|1,0,1]=4 6171 B8R1.8 CNCc1ccco1 2230a_100000185738_200000210301 [1,0,0,0,1,0|1,0,1]=4 6172 B8R1.8 CNCc1ccco1 270004a_106832991635_100000186105 [1,0,0,0,1,0|1,0,1]=4 6173 B8R1.8 CNCc1ccco1 34a_100000185738_200000210301 [1,0,0,0,1,0|1,0,1]=4 6174 B8R1.8 CNCc1cccs1 207a_100102657272_100000209959 [1,0,0,0,1,0|1,0,1]=4 6175 B8R1.8 CNCc1cccs1 2230a_100000211653_200000210301 [1,0,0,0,1,0|1,0,1]=4 6176 B8R1.8 CNCc1cccs1 270004a_106832991635_100000209959 [1,0,0,0,1,0|1,0,1]=4 6177 B8R1.8 CNCc1ccoc1 207a_100102657272_100011215517 [1,0,0,0,1,0|1,0,1]=4 6178 B8R1.8 CNCc1ccoc1 2230a_100015206860_200000210301 [1,0,0,0,1,0|1,0,1]=4 6179 B8R1.8 CNCc1ccoc1 270004a_106832991635_100011215517 [1,0,0,0,1,0|1,0,1]=4 6180 B8R1.8 CNCc1ccoc1 34a_100015206860_200000210301 [1,0,0,0,1,0|1,0,1]=4 6181 B8R1.8 CNCc1ccsc1 207a_100102657272_100000188534 [1,0,0,0,1,0|1,0,1]=4 6182 B8R1.8 CNCc1ccsc1 2230a_100000186416_200000210301 [1,0,0,0,1,0|1,0,1]=4 6183 B8R1.8 CNCc1ccsc1 2230a_106832991635_100011261437 [1,0,0,0,1,0|1,0,1]=4 6184 B8R1.8 CNCc1ccsc1 270004a_106832991635_100000188534 [1,0,0,0,1,0|1,0,1]=4 6185 B8R1.8 CNCc1ccsc1 34a_100000186416_200000210301 [1,0,0,0,1,0|1,0,1]=4 6186 B8R1.8 CNCc1ccsc1 34a_100102657272_100011261437 [1,0,0,0,1,0|1,0,1]=4 6187 B8R1.8 CNCc1ccsc1 7a_106832991635_100011261437 [1,0,0,0,1,0|1,0,1]=4 6188 B8R1.8 [13CH3]NCc1ccco1 2230a_100000185738_200025704644 [1,0,0,0,1,0|1,0,1]=4 6189 B8R1.8 [13CH3]NCc1ccco1 34a_100000185738_200025704644 [1,0,0,0,1,0|1,0,1]=4 6190 B8R1.8 [13CH3]NCc1cccs1 2230a_100000211653_200025704644 [1,0,0,0,1,0|1,0,1]=4 6191 B8R1.8 [13CH3]NCc1ccoc1 2230a_100015206860_200025704644 [1,0,0,0,1,0|1,0,1]=4 6192 B8R1.8 [13CH3]NCc1ccoc1 34a_100015206860_200025704644 [1,0,0,0,1,0|1,0,1]=4 6193 B8R1.8 [13CH3]NCc1ccsc1 2230a_100000186416_200025704644 [1,0,0,0,1,0|1,0,1]=4 6194 B8R1.8 [13CH3]NCc1ccsc1 34a_100000186416_200025704644 [1,0,0,0,1,0|1,0,1]=4 6195 B12R1.27 C#CC(=O)CCc1ccccc1 1458a_100000211873_100000765856 [0,0,0,0,0,2|1,0,1]=4 6196 B12R1.27 C=CC(=O)CCc1ccccc1 1458a_100000185746_100000765856 [0,0,0,0,0,2|1,0,1]=4 6197 B12R1.27 C=CC(=O)NCc1ccccc1 1626a_100015324214_100000185746 [0,0,0,0,0,2|1,0,1]=4 6198 B12R1.27 C=CC(=O)NCc1ccccc1 240690a_100015324214_200121576911 [0,0,0,0,0,2|1,0,1]=4 6199 B12R1.27 C=CC(=O)NNc1ccccc1 22a_100015195140_100000185746 [0,0,0,0,0,2|1,0,1]=4 6200 B12R1.27 CC(CCc1ccccc1)N[13CH3] 2230a_100000210798_200025704644 [0,0,0,0,0,2|1,0,1]=4 6201 B12R1.27 CC(CCc1ccccc1)N[13CH3] 34a_100000210798_200025704644 [0,0,0,0,0,2|1,0,1]=4 6202 B12R1.27 CC(COc1ccccc1)N[13CH3] 2230a_100000746794_200025704644 [0,0,0,0,0,2|1,0,1]=4 6203 B12R1.27 CC(COc1ccccc1)N[13CH3] 34a_100000746794_200025704644 [0,0,0,0,0,2|1,0,1]=4 6204 B12R1.27 CCC(=O)C#Cc1ccccc1 1458a_100000736102_100000210202 [0,0,0,0,0,2|1,0,0]=3 6205 B12R1.27 CCC(=O)C#Cc1ccccn1 1458a_102125277312_100000210202 [0,0,0,0,0,2|2,0,0]=4 6206 B12R1.27 CCC(=O)C=Cc1ccccc1 1458a_100000210462_100000210202 [0,0,0,0,0,2|1,0,0]=3 6207 B12R1.27 CCC(=O)C=Cc1ccccn1 1458a_100000740811_100000210202 [0,0,0,0,0,2|2,0,0]=4 6208 B12R1.27 CCC(=O)C=Cc1cccnc1 1458a_100000735890_100000210202 [0,0,0,0,0,2|2,0,0]=4 6209 B12R1.27 CCC(=O)C=Cc1ccncc1 1458a_100000682801_100000210202 [0,0,0,0,0,2|2,0,0]=4 6210 B12R1.27 CCC(=O)CCc1ccccc1 1458a_100000185753_100000210202 [0,0,0,0,0,2|1,0,0]=3 6211 B12R1.27 CCC(=O)CCc1ccccc1 1458a_100000210414_100000765856 [0,0,0,0,0,2|1,0,0]=3 6212 B12R1.27 CCC(=O)CCc1ccccn1 1458a_100000210414_100015183660 [0,0,0,0,0,2|2,0,0]=4 6213 B12R1.27 CCC(=O)CCc1ccccn1 1458a_100015195070_100000210202 [0,0,0,0,0,2|2,0,0]=4 6214 B12R1.27 CCC(=O)CCc1cccnc1 1458a_100000198484_100000210202 [0,0,0,0,0,2|2,0,0]=4 6215 B12R1.27 CCC(=O)CCc1cccnc1 1458a_100000210414_200011713674 [0,0,0,0,0,2|2,0,0]=4 6216 B12R1.27 CCC(=O)CCc1ccncc1 1458a_100000210414_100000723409 [0,0,0,0,0,2|2,0,0]=4 6217 B12R1.27 CCC(=O)CCc1ccncc1 1458a_100011225043_100000210202 [0,0,0,0,0,2|2,0,0]=4 6218 B12R1.27 CCC(=O)COc1ccccc1 1458a_100000186222_100000210202 [0,0,0,0,0,2|1,0,0]=3 6219 B12R1.27 CCC(=O)COc1ccccc1 7a_100000210340_100000747405 [0,0,0,0,0,2|1,0,0]=3 6220 B12R1.27 CCC(=O)COc1ccccn1 1458a_100102699861_100000210202 [0,0,0,0,0,2|2,0,0]=4 6221 B12R1.27 CCC(=O)COc1cccnc1 1458a_100015207166_100000210202 [0,0,0,0,0,2|2,0,0]=4 6222 B12R1.27 CCC(=O)COc1cccnc1 7a_100000210849_100000747405 [0,0,0,0,0,2|2,0,0]=4 6223 B12R1.27 CCC(=O)CSc1ccccc1 1458a_100000211596_100000210202 [0,0,0,0,0,2|1,0,0]=3 6224 B12R1.27 CCC(=O)CSc1ccccc1 62a_100000719477_100000747405 [0,0,0,0,0,2|1,0,0]=3 6225 B12R1.27 CCC(=O)CSc1ccccc1 62a_100000747405_100000041952 [0,0,0,0,0,2|1,0,0]=3 6226 B12R1.27 CCC(=O)CSc1ccccn1 1458a_100000156281_100000210202 [0,0,0,0,0,2|2,0,0]=4 6227 B12R1.27 CCC(=O)CSc1ccccn1 62a_100000747405_100011216584 [0,0,0,0,0,2|2,0,0]=4 6228 B12R1.27 CCC(=O)CSc1ccccn1 62a_100011216584_100000747405 [0,0,0,0,0,2|2,0,0]=4 6229 B12R1.27 CCC(=O)CSc1cccnc1 62a_100000210063_100000747405 [0,0,0,0,0,2|2,0,0]=4 6230 B12R1.27 CCC(=O)CSc1cccnc1 62a_100000747405_100000210063 [0,0,0,0,0,2|2,0,0]=4 6231 B12R1.27 CCC(=O)CSc1ccncc1 1458a_100000211328_100000210202 [0,0,0,0,0,2|2,0,0]=4 6232 B12R1.27 CCC(=O)CSc1ccncc1 62a_100000728582_100000747405 [0,0,0,0,0,2|2,0,0]=4 6233 B12R1.27 CCC(=O)CSc1ccncc1 62a_100000747405_100000728582 [0,0,0,0,0,2|2,0,0]=4 6234 B12R1.27 CCC(=O)NCc1ccccc1 11a_100015324214_100000210414 [0,0,0,0,0,2|1,0,0]=3 6235 B12R1.27 CCC(=O)NCc1ccccc1 1626a_100015324214_100000210414 [0,0,0,0,0,2|1,0,0]=3 6236 B12R1.27 CCC(=O)NCc1ccccc1 240690a_100015324214_100000210414 [0,0,0,0,0,2|1,0,0]=3 6237 B12R1.27 CCC(=O)NCc1ccccc1 527a_100015324214_100000210414 [0,0,0,0,0,2|1,0,0]=3 6238 B12R1.27 CCC(=O)NCc1ccccn1 11a_100000210449_100000210414 [0,0,0,0,0,2|2,0,0]=4 6239 B12R1.27 CCC(=O)NCc1ccccn1 1626a_100000210449_100000210414 [0,0,0,0,0,2|2,0,0]=4 6240 B12R1.27 CCC(=O)NCc1ccccn1 240690a_100000210449_100000210414 [0,0,0,0,0,2|2,0,0]=4 6241 B12R1.27 CCC(=O)NCc1ccccn1 527a_100000210449_100000210414 [0,0,0,0,0,2|2,0,0]=4 6242 B12R1.27 CCC(=O)NCc1cccnc1 11a_100000210453_100000210414 [0,0,0,0,0,2|2,0,0]=4 6243 B12R1.27 CCC(=O)NCc1cccnc1 240690a_100000210453_100000210414 [0,0,0,0,0,2|2,0,0]=4 6244 B12R1.27 CCC(=O)NCc1cccnc1 527a_100000210453_100000210414 [0,0,0,0,0,2|2,0,0]=4 6245 B12R1.27 CCC(=O)NCc1ccncc1 11a_100000210450_100000210414 [0,0,0,0,0,2|2,0,0]=4 6246 B12R1.27 CCC(=O)NCc1ccncc1 1626a_100000210450_100000210414 [0,0,0,0,0,2|2,0,0]=4 6247 B12R1.27 CCC(=O)NCc1ccncc1 240690a_100000210450_100000210414 [0,0,0,0,0,2|2,0,0]=4 6248 B12R1.27 CCC(=O)NCc1ccncc1 527a_100000210450_100000210414 [0,0,0,0,0,2|2,0,0]=4 6249 B12R1.27 CCC(=O)NNc1ccccc1 22a_100015195140_100000210414 [0,0,0,0,0,2|1,0,0]=3 6250 B12R1.27 CCC(=O)NNc1ccccn1 22a_100000183288_100000210414 [0,0,0,0,0,2|2,0,0]=4 6251 B12R1.27 CCC(=O)NNc1cccnc1 22a_100000728903_100000210414 [0,0,0,0,0,2|2,0,0]=4 6252 B12R1.27 CCC(=O)NNc1ccncc1 22a_100000698918_100000210414 [0,0,0,0,0,2|2,0,0]=4 6253 B12R1.27 CNC(=O)C#Cc1ccccc1 240690a_100102657272_100000736102 [0,0,0,0,0,2|0,0,0]=2 6254 B12R1.27 CNC(=O)C=Cc1ccccc1 11a_106832991635_100000210462 [0,0,0,0,0,2|0,0,0]=2 6255 B12R1.27 CNC(=O)C=Cc1ccccc1 1626a_100102657272_100000210462 [0,0,0,0,0,2|0,0,0]=2 6256 B12R1.27 CNC(=O)C=Cc1ccccn1 11a_106832991635_100000740811 [0,0,0,0,0,2|1,0,0]=3 6257 B12R1.27 CNC(=O)C=Cc1ccccn1 240690a_100102657272_100000740811 [0,0,0,0,0,2|1,0,0]=3 6258 B12R1.27 CNC(=O)C=Cc1cccnc1 11a_106832991635_100000735890 [0,0,0,0,0,2|1,0,0]=3 6259 B12R1.27 CNC(=O)C=Cc1cccnc1 240690a_100102657272_100000735890 [0,0,0,0,0,2|1,0,0]=3 6260 B12R1.27 CNC(=O)C=Cc1ccncc1 240690a_100102657272_100000682801 [0,0,0,0,0,2|1,0,0]=3 6261 B12R1.27 CNC(=O)CCc1ccccc1 11a_106832991635_100000185753 [0,0,0,0,0,2|0,0,0]=2 6262 B12R1.27 CNC(=O)CCc1ccccc1 1626a_100102657272_100000185753 [0,0,0,0,0,2|0,0,0]=2 6263 B12R1.27 CNC(=O)CCc1ccccc1 240690a_100102657272_100000185753 [0,0,0,0,0,2|0,0,0]=2 6264 B12R1.27 CNC(=O)CCc1ccccc1 527a_100102657272_100000185753 [0,0,0,0,0,2|0,0,0]=2 6265 B12R1.27 CNC(=O)CCc1ccccn1 11a_106832991635_100015195070 [0,0,0,0,0,2|1,0,0]=3 6266 B12R1.27 CNC(=O)CCc1ccccn1 240690a_100102657272_100015195070 [0,0,0,0,0,2|1,0,0]=3 6267 B12R1.27 CNC(=O)CCc1ccccn1 527a_100102657272_100015195070 [0,0,0,0,0,2|1,0,0]=3 6268 B12R1.27 CNC(=O)CCc1cccnc1 11a_106832991635_100000198484 [0,0,0,0,0,2|1,0,0]=3 6269 B12R1.27 CNC(=O)CCc1cccnc1 1626a_100102657272_100000198484 [0,0,0,0,0,2|1,0,0]=3 6270 B12R1.27 CNC(=O)CCc1cccnc1 240690a_100102657272_100000198484 [0,0,0,0,0,2|1,0,0]=3 6271 B12R1.27 CNC(=O)CCc1cccnc1 527a_100102657272_100000198484 [0,0,0,0,0,2|1,0,0]=3 6272 B12R1.27 CNC(=O)CCc1ccncc1 11a_106832991635_100011225043 [0,0,0,0,0,2|1,0,0]=3 6273 B12R1.27 CNC(=O)CCc1ccncc1 240690a_100102657272_100011225043 [0,0,0,0,0,2|1,0,0]=3 6274 B12R1.27 CNC(=O)CCc1ccncc1 527a_100102657272_100011225043 [0,0,0,0,0,2|1,0,0]=3 6275 B12R1.27 CNC(=O)CNc1ccccc1 34a_100000106764_100000183359 [0,0,0,0,0,2|0,0,0]=2 6276 B12R1.27 CNC(=O)CNc1cccnn1 27a_100000693194_100016991348 [0,0,0,0,0,2|2,0,0]=4 6277 B12R1.27 CNC(=O)CNc1ccncn1 27a_100000693194_100000703185 [0,0,0,0,0,2|2,0,0]=4 6278 B12R1.27 CNC(=O)CNc1cnccn1 27a_100000693194_100000211759 [0,0,0,0,0,2|2,0,0]=4 6279 B12R1.27 CNC(=O)CNc1ncccn1 27a_100000693194_100000211032 [0,0,0,0,0,2|2,0,0]=4 6280 B12R1.27 CNC(=O)COc1ccccc1 11a_106832991635_100000186222 [0,0,0,0,0,2|0,0,0]=2 6281 B12R1.27 CNC(=O)COc1ccccc1 1626a_100102657272_100000186222 [0,0,0,0,0,2|0,0,0]=2 6282 B12R1.27 CNC(=O)COc1ccccc1 240690a_100102657272_100000186222 [0,0,0,0,0,2|0,0,0]=2 6283 B12R1.27 CNC(=O)COc1ccccc1 34a_100000210340_100000183359 [0,0,0,0,0,2|0,0,0]=2 6284 B12R1.27 CNC(=O)COc1ccccc1 527a_100102657272_100000186222 [0,0,0,0,0,2|0,0,0]=2 6285 B12R1.27 CNC(=O)COc1ccccc1 7a_100000210340_100000183359 [0,0,0,0,0,2|0,0,0]=2 6286 B12R1.27 CNC(=O)COc1ccccn1 1626a_100102657272_100102699861 [0,0,0,0,0,2|1,0,0]=3 6287 B12R1.27 CNC(=O)COc1ccccn1 240690a_100102657272_100102699861 [0,0,0,0,0,2|1,0,0]=3 6288 B12R1.27 CNC(=O)COc1ccccn1 527a_100102657272_100102699861 [0,0,0,0,0,2|1,0,0]=3 6289 B12R1.27 CNC(=O)COc1cccnc1 11a_106832991635_100015207166 [0,0,0,0,0,2|1,0,0]=3 6290 B12R1.27 CNC(=O)COc1cccnc1 1626a_100102657272_100015207166 [0,0,0,0,0,2|1,0,0]=3 6291 B12R1.27 CNC(=O)COc1cccnc1 240690a_100102657272_100015207166 [0,0,0,0,0,2|1,0,0]=3 6292 B12R1.27 CNC(=O)COc1cccnc1 34a_100000210849_100000183359 [0,0,0,0,0,2|1,0,0]=3 6293 B12R1.27 CNC(=O)COc1cccnc1 527a_100102657272_100015207166 [0,0,0,0,0,2|1,0,0]=3 6294 B12R1.27 CNC(=O)COc1cccnc1 7a_100000210849_100000183359 [0,0,0,0,0,2|1,0,0]=3 6295 B12R1.27 CNC(=O)COc1ccncc1 34a_100000212176_100000183359 [0,0,0,0,0,2|1,0,0]=3 6296 B12R1.27 CNC(=O)COc1ccnnc1 34a_100015204005_100000183359 [0,0,0,0,0,2|2,0,0]=4 6297 B12R1.27 CNC(=O)COc1cncnc1 7a_100000754086_100000183359 [0,0,0,0,0,2|2,0,0]=4 6298 B12R1.27 CNC(=O)CSc1ccccc1 11a_106832991635_100000211596 [0,0,0,0,0,2|0,0,0]=2 6299 B12R1.27 CNC(=O)CSc1ccccc1 1626a_100102657272_100000211596 [0,0,0,0,0,2|0,0,0]=2 6300 B12R1.27 CNC(=O)CSc1ccccc1 240690a_100102657272_100000211596 [0,0,0,0,0,2|0,0,0]=2 6301 B12R1.27 CNC(=O)CSc1ccccc1 527a_100102657272_100000211596 [0,0,0,0,0,2|0,0,0]=2 6302 B12R1.27 CNC(=O)CSc1ccccc1 62a_100000183359_100000041952 [0,0,0,0,0,2|0,0,0]=2 6303 B12R1.27 CNC(=O)CSc1ccccc1 62a_100000719477_100000183359 [0,0,0,0,0,2|0,0,0]=2 6304 B12R1.27 CNC(=O)CSc1ccccn1 11a_106832991635_100000156281 [0,0,0,0,0,2|1,0,0]=3 6305 B12R1.27 CNC(=O)CSc1ccccn1 240690a_100102657272_100000156281 [0,0,0,0,0,2|1,0,0]=3 6306 B12R1.27 CNC(=O)CSc1ccccn1 527a_100102657272_100000156281 [0,0,0,0,0,2|1,0,0]=3 6307 B12R1.27 CNC(=O)CSc1ccccn1 62a_100000183359_100011216584 [0,0,0,0,0,2|1,0,0]=3 6308 B12R1.27 CNC(=O)CSc1ccccn1 62a_100011216584_100000183359 [0,0,0,0,0,2|1,0,0]=3 6309 B12R1.27 CNC(=O)CSc1cccnc1 62a_100000183359_100000210063 [0,0,0,0,0,2|1,0,0]=3 6310 B12R1.27 CNC(=O)CSc1cccnc1 62a_100000210063_100000183359 [0,0,0,0,0,2|1,0,0]=3 6311 B12R1.27 CNC(=O)CSc1cccnn1 62a_100000183359_100016991348 [0,0,0,0,0,2|2,0,0]=4 6312 B12R1.27 CNC(=O)CSc1cccnn1 62a_100016991348_100000183359 [0,0,0,0,0,2|2,0,0]=4 6313 B12R1.27 CNC(=O)CSc1ccncc1 11a_106832991635_100000211328 [0,0,0,0,0,2|1,0,0]=3 6314 B12R1.27 CNC(=O)CSc1ccncc1 1626a_100102657272_100000211328 [0,0,0,0,0,2|1,0,0]=3 6315 B12R1.27 CNC(=O)CSc1ccncc1 240690a_100102657272_100000211328 [0,0,0,0,0,2|1,0,0]=3 6316 B12R1.27 CNC(=O)CSc1ccncc1 527a_100102657272_100000211328 [0,0,0,0,0,2|1,0,0]=3 6317 B12R1.27 CNC(=O)CSc1ccncc1 62a_100000183359_100000728582 [0,0,0,0,0,2|1,0,0]=3 6318 B12R1.27 CNC(=O)CSc1ccncc1 62a_100000728582_100000183359 [0,0,0,0,0,2|1,0,0]=3 6319 B12R1.27 CNC(=O)CSc1ccncn1 62a_100000183359_100000703185 [0,0,0,0,0,2|2,0,0]=4 6320 B12R1.27 CNC(=O)CSc1ccncn1 62a_100000703185_100000183359 [0,0,0,0,0,2|2,0,0]=4 6321 B12R1.27 CNC(=O)CSc1ccnnc1 62a_100000183359_100000732662 [0,0,0,0,0,2|2,0,0]=4 6322 B12R1.27 CNC(=O)CSc1ccnnc1 62a_100000732662_100000183359 [0,0,0,0,0,2|2,0,0]=4 6323 B12R1.27 CNC(=O)CSc1cnccn1 62a_100000183359_100000211759 [0,0,0,0,0,2|2,0,0]=4 6324 B12R1.27 CNC(=O)CSc1cnccn1 62a_100000211759_100000183359 [0,0,0,0,0,2|2,0,0]=4 6325 B12R1.27 CNC(=O)CSc1cncnc1 62a_100000183359_100011206942 [0,0,0,0,0,2|2,0,0]=4 6326 B12R1.27 CNC(=O)CSc1cncnc1 62a_100011206942_100000183359 [0,0,0,0,0,2|2,0,0]=4 6327 B12R1.27 CNC(=O)CSc1ncccn1 240690a_100102657272_200000156282 [0,0,0,0,0,2|2,0,0]=4 6328 B12R1.27 CNC(=O)CSc1ncccn1 62a_100000183359_100000211032 [0,0,0,0,0,2|2,0,0]=4 6329 B12R1.27 CNC(=O)CSc1ncccn1 62a_100000211032_100000183359 [0,0,0,0,0,2|2,0,0]=4 6330 B12R1.27 CNC(=O)NCc1ccccc1 2708a_100015324214_106832991635 [0,0,0,0,0,2|0,0,0]=2 6331 B12R1.27 CNC(=O)NCc1ccccc1 2708a_100102657272_100015324214 [0,0,0,0,0,2|0,0,0]=2 6332 B12R1.27 CNC(=O)NCc1ccccc1 273464a_100015324214_100102657272 [0,0,0,0,0,2|0,0,0]=2 6333 B12R1.27 CNC(=O)NCc1ccccc1 273464a_100102657272_100015324214 [0,0,0,0,0,2|0,0,0]=2 6334 B12R1.27 CNC(=O)NCc1ccccc1 512a_100015324214_100102657272 [0,0,0,0,0,2|0,0,0]=2 6335 B12R1.27 CNC(=O)NCc1ccccc1 512a_106832991638_100015324214 [0,0,0,0,0,2|0,0,0]=2 6336 B12R1.27 CNC(=O)NCc1ccccn1 2708a_100000210449_106832991635 [0,0,0,0,0,2|1,0,0]=3 6337 B12R1.27 CNC(=O)NCc1ccccn1 2708a_100102657272_100000210449 [0,0,0,0,0,2|1,0,0]=3 6338 B12R1.27 CNC(=O)NCc1ccccn1 273464a_100000210449_100102657272 [0,0,0,0,0,2|1,0,0]=3 6339 B12R1.27 CNC(=O)NCc1ccccn1 273464a_100102657272_100000210449 [0,0,0,0,0,2|1,0,0]=3 6340 B12R1.27 CNC(=O)NCc1ccccn1 512a_106832991638_100000210449 [0,0,0,0,0,2|1,0,0]=3 6341 B12R1.27 CNC(=O)NCc1cccnc1 2708a_100000210453_106832991635 [0,0,0,0,0,2|1,0,0]=3 6342 B12R1.27 CNC(=O)NCc1cccnc1 2708a_100102657272_100000210453 [0,0,0,0,0,2|1,0,0]=3 6343 B12R1.27 CNC(=O)NCc1cccnc1 273464a_100000210453_100102657272 [0,0,0,0,0,2|1,0,0]=3 6344 B12R1.27 CNC(=O)NCc1cccnc1 273464a_100102657272_100000210453 [0,0,0,0,0,2|1,0,0]=3 6345 B12R1.27 CNC(=O)NCc1cccnc1 512a_100000210453_100102657272 [0,0,0,0,0,2|1,0,0]=3 6346 B12R1.27 CNC(=O)NCc1cccnc1 512a_106832991638_100000210453 [0,0,0,0,0,2|1,0,0]=3 6347 B12R1.27 CNC(=O)NCc1cccnn1 2708a_100102657272_100159270163 [0,0,0,0,0,2|2,0,0]=4 6348 B12R1.27 CNC(=O)NCc1cccnn1 2708a_100159270163_106832991635 [0,0,0,0,0,2|2,0,0]=4 6349 B12R1.27 CNC(=O)NCc1cccnn1 273464a_100102657272_100159270163 [0,0,0,0,0,2|2,0,0]=4 6350 B12R1.27 CNC(=O)NCc1cccnn1 273464a_100159270163_100102657272 [0,0,0,0,0,2|2,0,0]=4 6351 B12R1.27 CNC(=O)NCc1cccnn1 512a_100159270163_100102657272 [0,0,0,0,0,2|2,0,0]=4 6352 B12R1.27 CNC(=O)NCc1cccnn1 512a_106832991638_100159270163 [0,0,0,0,0,2|2,0,0]=4 6353 B12R1.27 CNC(=O)NCc1ccncc1 2708a_100000210450_106832991635 [0,0,0,0,0,2|1,0,0]=3 6354 B12R1.27 CNC(=O)NCc1ccncc1 2708a_100102657272_100000210450 [0,0,0,0,0,2|1,0,0]=3 6355 B12R1.27 CNC(=O)NCc1ccncc1 273464a_100000210450_100102657272 [0,0,0,0,0,2|1,0,0]=3 6356 B12R1.27 CNC(=O)NCc1ccncc1 273464a_100102657272_100000210450 [0,0,0,0,0,2|1,0,0]=3 6357 B12R1.27 CNC(=O)NCc1ccncc1 512a_106832991638_100000210450 [0,0,0,0,0,2|1,0,0]=3 6358 B12R1.27 CNC(=O)NCc1ccncn1 2708a_100102657272_100000736019 [0,0,0,0,0,2|2,0,0]=4 6359 B12R1.27 CNC(=O)NCc1ccncn1 273464a_100102657272_100000736019 [0,0,0,0,0,2|2,0,0]=4 6360 B12R1.27 CNC(=O)NCc1ccncn1 512a_100000736019_100102657272 [0,0,0,0,0,2|2,0,0]=4 6361 B12R1.27 CNC(=O)NCc1ccncn1 512a_106832991638_100000736019 [0,0,0,0,0,2|2,0,0]=4 6362 B12R1.27 CNC(=O)NCc1cnccn1 2708a_100000737960_106832991635 [0,0,0,0,0,2|2,0,0]=4 6363 B12R1.27 CNC(=O)NCc1cnccn1 2708a_100102657272_100000737960 [0,0,0,0,0,2|2,0,0]=4 6364 B12R1.27 CNC(=O)NCc1cnccn1 273464a_100000737960_100102657272 [0,0,0,0,0,2|2,0,0]=4 6365 B12R1.27 CNC(=O)NCc1cnccn1 273464a_100102657272_100000737960 [0,0,0,0,0,2|2,0,0]=4 6366 B12R1.27 CNC(=O)NCc1cnccn1 512a_100000737960_100102657272 [0,0,0,0,0,2|2,0,0]=4 6367 B12R1.27 CNC(=O)NCc1cnccn1 512a_106832991638_100000737960 [0,0,0,0,0,2|2,0,0]=4 6368 B12R1.27 CNC(=O)NCc1cncnc1 2708a_100011243677_106832991635 [0,0,0,0,0,2|2,0,0]=4 6369 B12R1.27 CNC(=O)NCc1cncnc1 2708a_100102657272_100011243677 [0,0,0,0,0,2|2,0,0]=4 6370 B12R1.27 CNC(=O)NCc1cncnc1 273464a_100011243677_100102657272 [0,0,0,0,0,2|2,0,0]=4 6371 B12R1.27 CNC(=O)NCc1cncnc1 273464a_100102657272_100011243677 [0,0,0,0,0,2|2,0,0]=4 6372 B12R1.27 CNC(=O)NCc1cncnc1 512a_100011243677_100102657272 [0,0,0,0,0,2|2,0,0]=4 6373 B12R1.27 CNC(=O)NCc1cncnc1 512a_106832991638_100011243677 [0,0,0,0,0,2|2,0,0]=4 6374 B12R1.27 CNC(=O)NCc1ncccn1 2708a_100015189908_106832991635 [0,0,0,0,0,2|2,0,0]=4 6375 B12R1.27 CNC(=O)NCc1ncccn1 2708a_100102657272_100015189908 [0,0,0,0,0,2|2,0,0]=4 6376 B12R1.27 CNC(=O)NCc1ncccn1 273464a_100015189908_100102657272 [0,0,0,0,0,2|2,0,0]=4 6377 B12R1.27 CNC(=O)NCc1ncccn1 273464a_100102657272_100015189908 [0,0,0,0,0,2|2,0,0]=4 6378 B12R1.27 CNC(=O)NCc1ncccn1 512a_100015189908_100102657272 [0,0,0,0,0,2|2,0,0]=4 6379 B12R1.27 CNC(=O)NCc1ncccn1 512a_106832991638_100015189908 [0,0,0,0,0,2|2,0,0]=4 6380 B12R1.27 CNC(=O)NNc1ccccc1 273464a_100102657272_100015195140 [0,0,0,0,0,2|0,0,0]=2 6381 B12R1.27 CNC(=O)NNc1ccccc1 512a_106832991638_100015195140 [0,0,0,0,0,2|0,0,0]=2 6382 B12R1.27 CNC(=O)NNc1ccccn1 273464a_100102657272_100000183288 [0,0,0,0,0,2|1,0,0]=3 6383 B12R1.27 CNC(=O)NNc1ccccn1 512a_106832991638_100000183288 [0,0,0,0,0,2|1,0,0]=3 6384 B12R1.27 CNC(=O)NNc1cccnc1 273464a_100102657272_100000728903 [0,0,0,0,0,2|1,0,0]=3 6385 B12R1.27 CNC(=O)NNc1cccnc1 512a_106832991638_100000728903 [0,0,0,0,0,2|1,0,0]=3 6386 B12R1.27 CNC(=O)NNc1cccnn1 273464a_100102657272_100000757824 [0,0,0,0,0,2|2,0,0]=4 6387 B12R1.27 CNC(=O)NNc1cccnn1 512a_106832991638_100000757824 [0,0,0,0,0,2|2,0,0]=4 6388 B12R1.27 CNC(=O)NNc1ccncc1 273464a_100102657272_100000698918 [0,0,0,0,0,2|1,0,0]=3 6389 B12R1.27 CNC(=O)NNc1ccncc1 512a_106832991638_100000698918 [0,0,0,0,0,2|1,0,0]=3 6390 B12R1.27 CNC(=O)NNc1ccncn1 273464a_100102657272_100011438088 [0,0,0,0,0,2|2,0,0]=4 6391 B12R1.27 CNC(=O)NNc1ccncn1 512a_106832991638_100011438088 [0,0,0,0,0,2|2,0,0]=4 6392 B12R1.27 CNC(=O)NNc1cnccn1 273464a_100102657272_100000736894 [0,0,0,0,0,2|2,0,0]=4 6393 B12R1.27 CNC(=O)NNc1cnccn1 512a_106832991638_100000736894 [0,0,0,0,0,2|2,0,0]=4 6394 B12R1.27 CNC(=O)NNc1ncccn1 273464a_100102657272_100000736892 [0,0,0,0,0,2|2,0,0]=4 6395 B12R1.27 CNC(=O)NNc1ncccn1 512a_106832991638_100000736892 [0,0,0,0,0,2|2,0,0]=4 6396 B12R1.27 CNC(C)CCc1ccccc1 2230a_100000210798_200000210301 [0,0,0,0,0,2|1,0,1]=4 6397 B12R1.27 CNC(C)CCc1ccccc1 270004a_106832991635_100000210092 [0,0,0,0,0,2|1,0,1]=4 6398 B12R1.27 CNC(C)CCc1ccccc1 34a_100000210798_200000210301 [0,0,0,0,0,2|1,0,1]=4 6399 B12R1.27 CNC(C)COc1ccccc1 2230a_100000746794_200000210301 [0,0,0,0,0,2|1,0,1]=4 6400 B12R1.27 CNC(C)COc1ccccc1 270004a_106832991635_100000150576 [0,0,0,0,0,2|1,0,1]=4 6401 B12R1.27 CNC(C)COc1ccccc1 34a_100000746794_200000210301 [0,0,0,0,0,2|1,0,1]=4 6402 B12R1.27 CNC(C)CSc1ccccc1 270004a_106832991635_100000150717 [0,0,0,0,0,2|1,0,1]=4 6403 B12R1.27 COC(=O)CNc1ccccc1 34a_100000106764_100000747449 [0,0,0,0,0,2|1,0,0]=3 6404 B12R1.27 COC(=O)COc1ccccc1 34a_100000210340_100000747449 [0,0,0,0,0,2|1,0,0]=3 6405 B12R1.27 COC(=O)COc1ccccc1 7a_100000210340_100000747449 [0,0,0,0,0,2|1,0,0]=3 6406 B12R1.27 COC(=O)COc1cccnc1 34a_100000210849_100000747449 [0,0,0,0,0,2|2,0,0]=4 6407 B12R1.27 COC(=O)COc1cccnc1 7a_100000210849_100000747449 [0,0,0,0,0,2|2,0,0]=4 6408 B12R1.27 COC(=O)COc1ccncc1 34a_100000212176_100000747449 [0,0,0,0,0,2|2,0,0]=4 6409 B12R1.27 COC(=O)CSc1ccccc1 62a_100000719477_100000747449 [0,0,0,0,0,2|1,0,0]=3 6410 B12R1.27 COC(=O)CSc1ccccc1 62a_100000747449_100000041952 [0,0,0,0,0,2|1,0,0]=3 6411 B12R1.27 COC(=O)CSc1ccccn1 62a_100000747449_100011216584 [0,0,0,0,0,2|2,0,0]=4 6412 B12R1.27 COC(=O)CSc1ccccn1 62a_100011216584_100000747449 [0,0,0,0,0,2|2,0,0]=4 6413 B12R1.27 COC(=O)CSc1cccnc1 62a_100000210063_100000747449 [0,0,0,0,0,2|2,0,0]=4 6414 B12R1.27 COC(=O)CSc1cccnc1 62a_100000747449_100000210063 [0,0,0,0,0,2|2,0,0]=4 6415 B12R1.27 COC(=O)CSc1ccncc1 62a_100000728582_100000747449 [0,0,0,0,0,2|2,0,0]=4 6416 B12R1.27 COC(=O)CSc1ccncc1 62a_100000747449_100000728582 [0,0,0,0,0,2|2,0,0]=4 6417 B12R1.27 O=C(C#Cc1ccccc1)CF 1458a_100000736102_100015361967 [0,0,0,0,0,2|2,0,0]=4 6418 B12R1.27 O=C(C=Cc1ccccc1)CF 1458a_100000210462_100015361967 [0,0,0,0,0,2|2,0,0]=4 6419 B12R1.27 O=C(CF)CCc1ccccc1 1458a_100000185753_100015361967 [0,0,0,0,0,2|2,0,0]=4 6420 B12R1.27 O=C(CF)COc1ccccc1 1458a_100000186222_100015361967 [0,0,0,0,0,2|2,0,0]=4 6421 B12R1.27 O=C(CF)CSc1ccccc1 1458a_100000211596_100015361967 [0,0,0,0,0,2|2,0,0]=4 6422 B12R1.27 O=C(CO)CCc1ccccc1 1458a_100000210174_100000765856 [0,0,0,0,0,2|2,0,0]=4 6423 B12R1.27 O=C(CO)NCc1ccccc1 240690a_100015324214_100000210174 [0,0,0,0,0,2|2,0,0]=4 6424 B12R1.27 O=C(CO)NCc1ccccc1 527a_100015324214_100000210174 [0,0,0,0,0,2|2,0,0]=4 6425 B12R1.27 O=C(CO)NNc1ccccc1 22a_100015195140_100000210174 [0,0,0,0,0,2|2,0,0]=4