0 B10R1.15 CC(S[13CH3])c1ccccc1 62a_100000230085_200025704644 [0,0,0,0,0,0|2,0,2]=4 1 B10R1.15 CC(S[13CH3])c1ccccc1 62a_200025704644_100000230085 [0,0,0,0,0,0|2,0,2]=4 2 B10R1.15 CCC(=O)c1ccccc1 1458a_100000185807_100000210202 [0,0,0,0,0,0|2,0,1]=3 3 B10R1.15 CCN(C)c1ccccc1 2230a_100000210012_100000210202 [0,0,0,0,0,0|2,0,2]=4 4 B10R1.15 CCN(C)c1ccccc1 2230a_100000210013_200000210301 [0,0,0,0,0,0|2,0,2]=4 5 B10R1.15 CCN(C)c1ccccc1 269982a_100000210012_100000204670 [0,0,0,0,0,0|2,0,2]=4 6 B10R1.15 CCN(C)c1ccccc1 269982a_100000210013_200000210301 [0,0,0,0,0,0|2,0,2]=4 7 B10R1.15 CCN(C)c1ccccc1 34a_100000210012_100000210202 [0,0,0,0,0,0|2,0,2]=4 8 B10R1.15 CCN(C)c1ccccc1 34a_100000210013_200000210301 [0,0,0,0,0,0|2,0,2]=4 9 B10R1.15 CCN([13CH3])c1ccccc1 2230a_100000210013_200025704644 [0,0,0,0,0,0|2,0,2]=4 10 B10R1.15 CCN([13CH3])c1ccccc1 269982a_100000210013_200025704644 [0,0,0,0,0,0|2,0,2]=4 11 B10R1.15 CCN([13CH3])c1ccccc1 34a_100000210013_200025704644 [0,0,0,0,0,0|2,0,2]=4 12 B10R1.15 CN(CF)c1ccccc1 269982a_100000210012_100015361967 [0,0,0,0,0,0|2,0,2]=4 13 B10R1.15 CN(CF)c1ccccc1 34a_100000210012_100015361967 [0,0,0,0,0,0|2,0,2]=4 14 B10R1.15 CNC(=O)c1ccccc1 11a_106832991635_100000185807 [0,0,0,0,0,0|3,0,0]=3 15 B10R1.15 CNC(=O)c1ccccc1 1626a_100102657272_100000185807 [0,0,0,0,0,0|3,0,0]=3 16 B10R1.15 CNC(=O)c1ccccc1 240690a_100102657272_100000185807 [0,0,0,0,0,0|3,0,0]=3 17 B10R1.15 CNC(=O)c1ccccc1 527a_100102657272_100000185807 [0,0,0,0,0,0|3,0,0]=3 18 B10R1.15 CNC(C)c1ccccc1 2230a_106832991635_100000230085 [0,0,0,0,0,0|2,0,2]=4 19 B10R1.15 CNC(C)c1ccccc1 269862a_106832991636_100000185851 [0,0,0,0,0,0|2,0,2]=4 20 B10R1.15 CNC(C)c1ccccc1 34a_100102657272_100000211855 [0,0,0,0,0,0|2,0,2]=4 21 B10R1.15 CNC(C)c1ccccc1 7a_106832991635_100000230085 [0,0,0,0,0,0|2,0,2]=4 22 B10R1.15 CN[C@H](C)c1ccccc1 2230a_100000751104_200000210301 [0,0,0,0,0,0|2,0,2]=4 23 B10R1.15 COC(C)c1ccccc1 34a_100138415774_100000211855 [0,0,0,0,0,0|2,0,2]=4 24 B10R1.15 CO[C@H](C)c1ccccc1 34a_100000761318_200000210301 [0,0,0,0,0,0|2,0,2]=4 25 B10R1.15 CO[C@H](C)c1ccccc1 7a_100000761318_200000210301 [0,0,0,0,0,0|2,0,2]=4 26 B10R1.15 CSC(C)c1ccccc1 62a_100000230085_200000210301 [0,0,0,0,0,0|2,0,2]=4 27 B10R1.15 CSC(C)c1ccccc1 62a_200000210301_100000230085 [0,0,0,0,0,0|2,0,2]=4 28 B10R1.15 C[C@@H](N[13CH3])c1ccccc1 2230a_100000751104_200025704644 [0,0,0,0,0,0|2,0,2]=4 29 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 34a_100000761318_200025704644 [0,0,0,0,0,0|2,0,2]=4 30 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 7a_100000761318_200025704644 [0,0,0,0,0,0|2,0,2]=4 31 B10R1.15 O=C(CF)c1ccccc1 1458a_100000185807_100015361967 [0,0,0,0,0,0|2,0,1]=3 32 B9R1.6 C=C(C)c1ccccc1 271570a_100000694244_100000210277 [1,0,0,0,0,0|0,0,1]=2 33 B9R1.6 C=C(C)c1ccccn1 271570a_100000694244_100011216584 [1,0,0,0,0,0|1,0,1]=3 34 B9R1.6 C=C(C)c1cccnc1 271570a_100000694244_100000752921 [1,0,0,0,0,0|1,0,1]=3 35 B9R1.6 C=C(C)c1cccnn1 271570a_100000694244_100016991348 [1,0,0,0,0,0|2,0,1]=4 36 B9R1.6 C=C(C)c1ccncc1 271570a_100000694244_100000035832 [1,0,0,0,0,0|1,0,1]=3 37 B9R1.6 C=C(C)c1ccncn1 271570a_100000694244_100000703185 [1,0,0,0,0,0|2,0,1]=4 38 B9R1.6 C=C(C)c1ccnnc1 271570a_100000694244_100000732662 [1,0,0,0,0,0|2,0,1]=4 39 B9R1.6 C=C(C)c1cnccn1 271570a_100000694244_100000758340 [1,0,0,0,0,0|2,0,1]=4 40 B9R1.6 C=C(C)c1cncnc1 271570a_100000694244_100011206942 [1,0,0,0,0,0|2,0,1]=4 41 B9R1.6 C=C(C)c1ncccn1 271570a_100000694244_100000211032 [1,0,0,0,0,0|2,0,1]=4 42 B9R1.6 CC(=O)c1ccccc1 1458a_100000185807_200000210301 [1,0,0,0,0,0|0,0,1]=2 43 B9R1.6 CN(C)c1ccccc1 2230a_100000210012_200000210301 [1,0,0,0,0,0|1,0,2]=4 44 B9R1.6 CN(C)c1ccccc1 269982a_100000210012_200000210301 [1,0,0,0,0,0|1,0,2]=4 45 B9R1.6 CN(C)c1ccccc1 34a_100000210012_200000210301 [1,0,0,0,0,0|1,0,2]=4 46 B9R1.6 CN([13CH3])c1ccccc1 2230a_100000210012_200025704644 [1,0,0,0,0,0|1,0,2]=4 47 B9R1.6 CN([13CH3])c1ccccc1 269982a_100000210012_200025704644 [1,0,0,0,0,0|1,0,2]=4 48 B9R1.6 CN([13CH3])c1ccccc1 34a_100000210012_200025704644 [1,0,0,0,0,0|1,0,2]=4 49 B9R1.6 [13CH3]C(=O)c1ccccc1 1458a_100000185807_200025704644 [1,0,0,0,0,0|0,0,1]=2 50 B9R1.8 C=C=Cc1ccccc1 271570a_100015277604_100000210277 [1,0,0,0,0,0|1,0,1]=3 51 B9R1.8 C=C=Cc1ccccn1 271570a_100015277604_100011216584 [1,0,0,0,0,0|2,0,1]=4 52 B9R1.8 C=C=Cc1cccnc1 271570a_100015277604_100000752921 [1,0,0,0,0,0|2,0,1]=4 53 B9R1.8 C=C=Cc1ccncc1 271570a_100015277604_100000035832 [1,0,0,0,0,0|2,0,1]=4 54 B9R1.8 CC=Cc1ccccc1 271570a_100016259895_100000210277 [1,0,0,0,0,0|1,0,0]=2 55 B9R1.8 CC=Cc1ccccn1 271570a_100016259895_100011216584 [1,0,0,0,0,0|2,0,0]=3 56 B9R1.8 CC=Cc1cccnc1 271570a_100016259895_100000752921 [1,0,0,0,0,0|2,0,0]=3 57 B9R1.8 CC=Cc1cccnn1 271570a_100016259895_100016991348 [1,0,0,0,0,0|3,0,0]=4 58 B9R1.8 CC=Cc1ccncc1 271570a_100016259895_100000035832 [1,0,0,0,0,0|2,0,0]=3 59 B9R1.8 CC=Cc1ccncn1 271570a_100016259895_100000703185 [1,0,0,0,0,0|3,0,0]=4 60 B9R1.8 CC=Cc1ccnnc1 271570a_100016259895_100000732662 [1,0,0,0,0,0|3,0,0]=4 61 B9R1.8 CC=Cc1cnccn1 271570a_100016259895_100000758340 [1,0,0,0,0,0|3,0,0]=4 62 B9R1.8 CC=Cc1cncnc1 271570a_100016259895_100011206942 [1,0,0,0,0,0|3,0,0]=4 63 B9R1.8 CC=Cc1ncccn1 271570a_100016259895_100000211032 [1,0,0,0,0,0|3,0,0]=4 64 B9R1.8 CCNc1ccccc1 34a_100000106764_100000210202 [1,0,0,0,0,0|2,0,1]=4 65 B9R1.8 CCOc1ccccc1 34a_100000210340_100000210202 [1,0,0,0,0,0|2,0,1]=4 66 B9R1.8 CCOc1ccccc1 7a_100000210340_100000210202 [1,0,0,0,0,0|2,0,1]=4 67 B9R1.8 CCSc1ccccc1 62a_100000210202_100000041952 [1,0,0,0,0,0|2,0,1]=4 68 B9R1.8 CCSc1ccccc1 62a_100000719477_100000210202 [1,0,0,0,0,0|2,0,1]=4 69 B9R1.8 CNCc1ccccc1 207a_100102657272_100015611070 [1,0,0,0,0,0|2,0,1]=4 70 B9R1.8 CNCc1ccccc1 2230a_100015324214_200000210301 [1,0,0,0,0,0|2,0,1]=4 71 B9R1.8 CNCc1ccccc1 2230a_106832991635_100015291786 [1,0,0,0,0,0|2,0,1]=4 72 B9R1.8 CNCc1ccccc1 270004a_106832991635_100015611070 [1,0,0,0,0,0|2,0,1]=4 73 B9R1.8 CNCc1ccccc1 34a_100015324214_200000210301 [1,0,0,0,0,0|2,0,1]=4 74 B9R1.8 CNCc1ccccc1 34a_100102657272_100015291786 [1,0,0,0,0,0|2,0,1]=4 75 B9R1.8 CNCc1ccccc1 7a_106832991635_100000211182 [1,0,0,0,0,0|2,0,1]=4 76 B9R1.8 COCc1ccccc1 34a_100000210790_200000210301 [1,0,0,0,0,0|2,0,1]=4 77 B9R1.8 COCc1ccccc1 34a_100138415774_100015291786 [1,0,0,0,0,0|2,0,1]=4 78 B9R1.8 COCc1ccccc1 7a_100000210790_200000210301 [1,0,0,0,0,0|2,0,1]=4 79 B9R1.8 CSCc1ccccc1 62a_100000211182_200000210301 [1,0,0,0,0,0|2,0,1]=4 80 B9R1.8 CSCc1ccccc1 62a_200000210301_100015291786 [1,0,0,0,0,0|2,0,1]=4 81 B9R1.8 FCNc1ccccc1 34a_100000106764_100015361967 [1,0,0,0,0,0|2,0,1]=4 82 B9R1.8 FCOc1ccccc1 34a_100000210340_100015361967 [1,0,0,0,0,0|2,0,1]=4 83 B9R1.8 FCOc1ccccc1 7a_100000210340_100015361967 [1,0,0,0,0,0|2,0,1]=4 84 B9R1.8 FCSc1ccccc1 62a_100000719477_100015361967 [1,0,0,0,0,0|2,0,1]=4 85 B9R1.8 FCSc1ccccc1 62a_100015361967_100000041952 [1,0,0,0,0,0|2,0,1]=4 86 B9R1.8 [13CH3]NCc1ccccc1 2230a_100015324214_200025704644 [1,0,0,0,0,0|2,0,1]=4 87 B9R1.8 [13CH3]NCc1ccccc1 34a_100015324214_200025704644 [1,0,0,0,0,0|2,0,1]=4 88 B9R1.8 [13CH3]OCc1ccccc1 34a_100000210790_200025704644 [1,0,0,0,0,0|2,0,1]=4 89 B9R1.8 [13CH3]OCc1ccccc1 7a_100000210790_200025704644 [1,0,0,0,0,0|2,0,1]=4 90 B9R1.8 [13CH3]SCc1ccccc1 62a_100000211182_200025704644 [1,0,0,0,0,0|2,0,1]=4 91 B9R1.8 [13CH3]SCc1ccccc1 62a_200025704644_100015291786 [1,0,0,0,0,0|2,0,1]=4 92 B11R1.12 C=CC(NC)c1ccccc1 2230a_106832991635_200000085779 [0,1,0,0,0,0|1,0,2]=4 93 B11R1.12 C=CC(OC)c1ccccc1 34a_100011215659_200000210301 [0,1,0,0,0,0|1,0,2]=4 94 B11R1.12 C=CC(OC)c1ccccc1 7a_100011215659_200000210301 [0,1,0,0,0,0|1,0,2]=4 95 B11R1.12 C=CC(O[13CH3])c1ccccc1 34a_100011215659_200025704644 [0,1,0,0,0,0|1,0,2]=4 96 B11R1.12 C=CC(O[13CH3])c1ccccc1 7a_100011215659_200025704644 [0,1,0,0,0,0|1,0,2]=4 97 B11R1.12 C=CC(SC)c1ccccc1 62a_200000085779_200000210301 [0,1,0,0,0,0|1,0,2]=4 98 B11R1.12 C=CC(SC)c1ccccc1 62a_200000210301_200000085779 [0,1,0,0,0,0|1,0,2]=4 99 B11R1.12 C=CC(S[13CH3])c1ccccc1 62a_200000085779_200025704644 [0,1,0,0,0,0|1,0,2]=4 100 B11R1.12 C=CC(S[13CH3])c1ccccc1 62a_200025704644_200000085779 [0,1,0,0,0,0|1,0,2]=4 101 B11R1.16 C#CCC(=O)c1ccccc1 1458a_100000185807_100000184674 [0,1,0,0,0,0|2,0,1]=4 102 B11R1.16 C=CCC(=O)c1ccccc1 1458a_100000185807_100000210623 [0,1,0,0,0,0|2,0,0]=3 103 B11R1.16 C=CCN(C)c1ccccc1 2230a_100000210012_100000210623 [0,1,0,0,0,0|2,0,1]=4 104 B11R1.16 C=CCN(C)c1ccccc1 2230a_100000211662_200000210301 [0,1,0,0,0,0|2,0,1]=4 105 B11R1.16 C=CCN(C)c1ccccc1 269982a_100000210012_100000210623 [0,1,0,0,0,0|2,0,1]=4 106 B11R1.16 C=CCN(C)c1ccccc1 269982a_100000211662_200000210301 [0,1,0,0,0,0|2,0,1]=4 107 B11R1.16 C=CCN(C)c1ccccc1 34a_100000210012_100015514636 [0,1,0,0,0,0|2,0,1]=4 108 B11R1.16 C=CCN(C)c1ccccc1 34a_100000211662_200000210301 [0,1,0,0,0,0|2,0,1]=4 109 B11R1.16 C=CCN([13CH3])c1ccccc1 2230a_100000211662_200025704644 [0,1,0,0,0,0|2,0,1]=4 110 B11R1.16 C=CCN([13CH3])c1ccccc1 269982a_100000211662_200025704644 [0,1,0,0,0,0|2,0,1]=4 111 B11R1.16 C=CCN([13CH3])c1ccccc1 34a_100000211662_200025704644 [0,1,0,0,0,0|2,0,1]=4 112 B11R1.16 CCCC(=O)c1ccccc1 1458a_100000185807_100000210303 [0,1,0,0,0,0|2,0,1]=4 113 B11R1.16 CCNC(=O)c1ccccc1 11a_100015525214_100000185807 [0,1,0,0,0,0|2,0,1]=4 114 B11R1.16 CCNC(=O)c1ccccc1 240690a_100015525214_100000185807 [0,1,0,0,0,0|2,0,1]=4 115 B11R1.16 CCNC(=O)c1ccccc1 527a_100015525214_100000185807 [0,1,0,0,0,0|2,0,1]=4 116 B11R1.16 CN(CC=O)c1ccccc1 2230a_100000210012_200015260668 [0,1,0,0,0,0|1,0,1]=3 117 B11R1.16 CN(CC=O)c1ccccc1 269982a_100000210012_200015260668 [0,1,0,0,0,0|1,0,1]=3 118 B11R1.16 CN(CC=O)c1ccccc1 34a_100000210012_200009817547 [0,1,0,0,0,0|1,0,1]=3 119 B11R1.16 CNCC(=O)c1ccccc1 7a_106832991635_100000211460 [0,1,0,0,0,0|2,0,1]=4 120 B11R1.16 CNNC(=O)c1ccccc1 22a_100016993582_100000185807 [0,1,0,0,0,0|3,0,0]=4 121 B11R1.16 CSCC(=O)c1ccccc1 62a_100000211460_200000210301 [0,1,0,0,0,0|1,1,1]=4 122 B11R1.16 CSCC(=O)c1ccccc1 62a_200000210301_100000211460 [0,1,0,0,0,0|1,1,1]=4 123 B11R1.16 N#CCC(=O)c1ccccc1 1458a_100000185807_100011214920 [0,1,0,0,0,0|2,0,1]=4 124 B11R1.16 O=C(CCF)c1ccccc1 1458a_100000185807_100011217306 [0,1,0,0,0,0|2,0,1]=4 125 B11R1.16 O=C(CCO)c1ccccc1 1458a_100000185807_100000211926 [0,1,0,0,0,0|1,0,2]=4 126 B11R1.16 [13CH3]SCC(=O)c1ccccc1 62a_100000211460_200025704644 [0,1,0,0,0,0|1,1,1]=4 127 B11R1.16 [13CH3]SCC(=O)c1ccccc1 62a_200025704644_100000211460 [0,1,0,0,0,0|1,1,1]=4 128 B11R1.22 CCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000210202 [0,1,0,0,0,0|2,0,1]=4 129 B11R1.22 CCC(=O)c1ccc(cc1)C 1458a_100000188618_100000210202 [0,1,0,0,0,0|2,0,1]=4 130 B11R1.22 CCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000210202 [0,1,0,0,0,0|2,0,1]=4 131 B11R1.22 CCC(=O)c1ccc(cc1)F 1458a_100000187176_100000210202 [0,1,0,0,0,0|2,0,1]=4 132 B11R1.22 CCC(=O)c1ccc(cc1)I 1458a_100000187904_100000210202 [0,1,0,0,0,0|2,0,1]=4 133 B11R1.22 CCC(=O)c1ccc(cc1)O 1458a_100000212099_100000210202 [0,1,0,0,0,0|2,0,1]=4 134 B11R1.22 CCC(=O)c1ccc(cc1)O 271570a_203496583355_100000211647 [0,1,0,0,0,0|2,0,1]=4 135 B11R1.22 CNC(=O)c1ccc(cc1)Br 11a_106832991635_100000185839 [0,1,0,0,0,0|3,0,0]=4 136 B11R1.22 CNC(=O)c1ccc(cc1)Br 1626a_100102657272_100000185839 [0,1,0,0,0,0|3,0,0]=4 137 B11R1.22 CNC(=O)c1ccc(cc1)Br 240690a_100102657272_100000185839 [0,1,0,0,0,0|3,0,0]=4 138 B11R1.22 CNC(=O)c1ccc(cc1)Br 527a_100102657272_100000185839 [0,1,0,0,0,0|3,0,0]=4 139 B11R1.22 CNC(=O)c1ccc(cc1)C 11a_106832991635_100000188618 [0,1,0,0,0,0|3,0,0]=4 140 B11R1.22 CNC(=O)c1ccc(cc1)C 1626a_100102657272_100000188618 [0,1,0,0,0,0|3,0,0]=4 141 B11R1.22 CNC(=O)c1ccc(cc1)C 240690a_100102657272_100000188618 [0,1,0,0,0,0|3,0,0]=4 142 B11R1.22 CNC(=O)c1ccc(cc1)C 527a_100102657272_100000188618 [0,1,0,0,0,0|3,0,0]=4 143 B11R1.22 CNC(=O)c1ccc(cc1)Cl 11a_106832991635_100000210187 [0,1,0,0,0,0|3,0,0]=4 144 B11R1.22 CNC(=O)c1ccc(cc1)Cl 1626a_100102657272_100000210187 [0,1,0,0,0,0|3,0,0]=4 145 B11R1.22 CNC(=O)c1ccc(cc1)Cl 240690a_100102657272_100000210187 [0,1,0,0,0,0|3,0,0]=4 146 B11R1.22 CNC(=O)c1ccc(cc1)Cl 527a_100102657272_100000210187 [0,1,0,0,0,0|3,0,0]=4 147 B11R1.22 CNC(=O)c1ccc(cc1)F 11a_106832991635_100000187176 [0,1,0,0,0,0|3,0,0]=4 148 B11R1.22 CNC(=O)c1ccc(cc1)F 1626a_100102657272_100000187176 [0,1,0,0,0,0|3,0,0]=4 149 B11R1.22 CNC(=O)c1ccc(cc1)F 240690a_100102657272_100000187176 [0,1,0,0,0,0|3,0,0]=4 150 B11R1.22 CNC(=O)c1ccc(cc1)F 527a_100102657272_100000187176 [0,1,0,0,0,0|3,0,0]=4 151 B11R1.22 CNC(=O)c1ccc(cc1)I 11a_106832991635_100000187904 [0,1,0,0,0,0|3,0,0]=4 152 B11R1.22 CNC(=O)c1ccc(cc1)I 1626a_100102657272_100000187904 [0,1,0,0,0,0|3,0,0]=4 153 B11R1.22 CNC(=O)c1ccc(cc1)I 240690a_100102657272_100000187904 [0,1,0,0,0,0|3,0,0]=4 154 B11R1.22 CNC(=O)c1ccc(cc1)I 527a_100102657272_100000187904 [0,1,0,0,0,0|3,0,0]=4 155 B11R1.22 CNC(=O)c1ccc(cc1)O 240690a_100102657272_100000212099 [0,1,0,0,0,0|3,0,0]=4 156 B11R1.22 CNC(=O)c1ccc(cc1)O 271570a_203496583355_100000155074 [0,1,0,0,0,0|3,0,0]=4 157 B11R1.22 CNC(=O)c1ccc(cc1)O 527a_100102657272_100000212099 [0,1,0,0,0,0|3,0,0]=4 158 B11R1.22 COC(=O)c1ccc(cc1)O 271570a_203496583355_100000150774 [0,1,0,0,0,0|3,0,0]=4 159 B11R1.22 Cc1ccc(cc1)C(=O)CF 1458a_100000188618_100015361967 [0,1,0,0,0,0|2,0,1]=4 160 B11R1.22 N#CC(=O)c1ccc(cc1)O 271570a_203496583355_100009994572 [0,1,0,0,0,0|2,0,1]=4 161 B11R1.22 NCC(=O)c1ccc(cc1)O 271570a_203496583355_100000017248 [0,1,0,0,0,0|2,0,1]=4 162 B11R1.22 NNC(=O)c1ccc(cc1)O 271570a_203496583355_100000183614 [0,1,0,0,0,0|3,0,0]=4 163 B11R1.22 O=C(CF)c1ccc(cc1)Br 1458a_100000185839_100015361967 [0,1,0,0,0,0|2,0,1]=4 164 B11R1.22 O=C(CF)c1ccc(cc1)Cl 1458a_100000210187_100015361967 [0,1,0,0,0,0|2,0,1]=4 165 B11R1.22 O=C(CF)c1ccc(cc1)F 1458a_100000187176_100015361967 [0,1,0,0,0,0|2,0,1]=4 166 B11R1.22 O=C(CF)c1ccc(cc1)I 1458a_100000187904_100015361967 [0,1,0,0,0,0|2,0,1]=4 167 B11R1.22 O=C(CF)c1ccc(cc1)O 1458a_100000212099_100015361967 [0,1,0,0,0,0|2,0,1]=4 168 B11R1.22 O=C(CO)c1ccc(cc1)O 271570a_203496583355_100011219529 [0,1,0,0,0,0|1,0,2]=4 169 B11R1.22 O=CC(=O)c1ccc(cc1)O 271570a_203496583355_100000725942 [0,1,0,0,0,0|1,0,0]=2 170 B11R1.23 CCC(=O)c1cccc(c1)Br 1458a_100000210664_100000210202 [0,1,0,0,0,0|2,0,1]=4 171 B11R1.23 CCC(=O)c1cccc(c1)C 1458a_100000189346_100000210202 [0,1,0,0,0,0|2,0,1]=4 172 B11R1.23 CCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000210202 [0,1,0,0,0,0|2,0,1]=4 173 B11R1.23 CCC(=O)c1cccc(c1)F 1458a_100000210950_100000210202 [0,1,0,0,0,0|2,0,1]=4 174 B11R1.23 CCC(=O)c1cccc(c1)I 1458a_100000184098_100000210202 [0,1,0,0,0,0|2,0,1]=4 175 B11R1.23 CCC(=O)c1cccc(c1)O 1458a_100000183914_100000210202 [0,1,0,0,0,0|2,0,1]=4 176 B11R1.23 CCC(=O)c1cccc(c1)O 271570a_203496583355_100000211677 [0,1,0,0,0,0|2,0,1]=4 177 B11R1.23 CNC(=O)c1cccc(c1)Br 11a_106832991635_100000210664 [0,1,0,0,0,0|3,0,0]=4 178 B11R1.23 CNC(=O)c1cccc(c1)Br 1626a_100102657272_100000210664 [0,1,0,0,0,0|3,0,0]=4 179 B11R1.23 CNC(=O)c1cccc(c1)Br 240690a_100102657272_100000210664 [0,1,0,0,0,0|3,0,0]=4 180 B11R1.23 CNC(=O)c1cccc(c1)Br 527a_100102657272_100000210664 [0,1,0,0,0,0|3,0,0]=4 181 B11R1.23 CNC(=O)c1cccc(c1)C 11a_106832991635_100000189346 [0,1,0,0,0,0|3,0,0]=4 182 B11R1.23 CNC(=O)c1cccc(c1)C 1626a_100102657272_100000189346 [0,1,0,0,0,0|3,0,0]=4 183 B11R1.23 CNC(=O)c1cccc(c1)C 240690a_100102657272_100000189346 [0,1,0,0,0,0|3,0,0]=4 184 B11R1.23 CNC(=O)c1cccc(c1)C 527a_100102657272_100000189346 [0,1,0,0,0,0|3,0,0]=4 185 B11R1.23 CNC(=O)c1cccc(c1)Cl 11a_106832991635_100000210390 [0,1,0,0,0,0|3,0,0]=4 186 B11R1.23 CNC(=O)c1cccc(c1)Cl 1626a_100102657272_100000210390 [0,1,0,0,0,0|3,0,0]=4 187 B11R1.23 CNC(=O)c1cccc(c1)Cl 240690a_100102657272_100000210390 [0,1,0,0,0,0|3,0,0]=4 188 B11R1.23 CNC(=O)c1cccc(c1)Cl 527a_100102657272_100000210390 [0,1,0,0,0,0|3,0,0]=4 189 B11R1.23 CNC(=O)c1cccc(c1)F 11a_106832991635_100000210950 [0,1,0,0,0,0|3,0,0]=4 190 B11R1.23 CNC(=O)c1cccc(c1)F 1626a_100102657272_100000210950 [0,1,0,0,0,0|3,0,0]=4 191 B11R1.23 CNC(=O)c1cccc(c1)F 240690a_100102657272_100000210950 [0,1,0,0,0,0|3,0,0]=4 192 B11R1.23 CNC(=O)c1cccc(c1)F 527a_100102657272_100000210950 [0,1,0,0,0,0|3,0,0]=4 193 B11R1.23 CNC(=O)c1cccc(c1)I 11a_106832991635_100000184098 [0,1,0,0,0,0|3,0,0]=4 194 B11R1.23 CNC(=O)c1cccc(c1)I 1626a_100102657272_100000184098 [0,1,0,0,0,0|3,0,0]=4 195 B11R1.23 CNC(=O)c1cccc(c1)I 240690a_100102657272_100000184098 [0,1,0,0,0,0|3,0,0]=4 196 B11R1.23 CNC(=O)c1cccc(c1)I 527a_100102657272_100000184098 [0,1,0,0,0,0|3,0,0]=4 197 B11R1.23 CNC(=O)c1cccc(c1)O 240690a_100102657272_100000183914 [0,1,0,0,0,0|3,0,0]=4 198 B11R1.23 CNC(=O)c1cccc(c1)O 271570a_203496583355_100000155082 [0,1,0,0,0,0|3,0,0]=4 199 B11R1.23 CNC(=O)c1cccc(c1)O 527a_100102657272_100000183914 [0,1,0,0,0,0|3,0,0]=4 200 B11R1.23 COC(=O)c1cccc(c1)O 271570a_203496583355_100000148679 [0,1,0,0,0,0|3,0,0]=4 201 B11R1.23 Cc1cccc(c1)C(=O)CF 1458a_100000189346_100015361967 [0,1,0,0,0,0|2,0,1]=4 202 B11R1.23 N#CC(=O)c1cccc(c1)O 271570a_203496583355_100010169886 [0,1,0,0,0,0|2,0,1]=4 203 B11R1.23 NCC(=O)c1cccc(c1)O 271570a_203496583355_100020587001 [0,1,0,0,0,0|2,0,1]=4 204 B11R1.23 NNC(=O)c1cccc(c1)O 271570a_203496583355_100000189783 [0,1,0,0,0,0|3,0,0]=4 205 B11R1.23 O=C(CF)c1cccc(c1)Br 1458a_100000210664_100015361967 [0,1,0,0,0,0|2,0,1]=4 206 B11R1.23 O=C(CF)c1cccc(c1)Cl 1458a_100000210390_100015361967 [0,1,0,0,0,0|2,0,1]=4 207 B11R1.23 O=C(CF)c1cccc(c1)F 1458a_100000210950_100015361967 [0,1,0,0,0,0|2,0,1]=4 208 B11R1.23 O=C(CF)c1cccc(c1)I 1458a_100000184098_100015361967 [0,1,0,0,0,0|2,0,1]=4 209 B11R1.23 O=C(CF)c1cccc(c1)O 1458a_100000183914_100015361967 [0,1,0,0,0,0|2,0,1]=4 210 B11R1.23 O=CC(=O)c1cccc(c1)O 271570a_203496583355_100000726164 [0,1,0,0,0,0|1,0,0]=2 211 B11R1.36 C=C(C(=O)C)c1ccccc1 1458a_100000065200_200000210301 [0,1,0,0,0,0|0,0,0]=1 212 B11R1.36 C=C(C(=O)[13CH3])c1ccccc1 1458a_100000065200_200025704644 [0,1,0,0,0,0|0,0,0]=1 213 B11R1.36 CC(=C(C)c1ccccc1)C 271570a_200000049429_100000210277 [0,1,0,0,0,0|1,0,1]=3 214 B11R1.36 CC(=C(C)c1ccccn1)C 271570a_200000049429_100011216584 [0,1,0,0,0,0|2,0,1]=4 215 B11R1.36 CC(=C(C)c1cccnc1)C 271570a_200000049429_100000752921 [0,1,0,0,0,0|2,0,1]=4 216 B11R1.36 CC(=C(C)c1ccncc1)C 271570a_200000049429_100000035832 [0,1,0,0,0,0|2,0,1]=4 217 B11R1.36 CC(=O)C(C)c1ccccc1 1458a_100000070787_100000230085 [0,1,0,0,0,0|0,0,2]=3 218 B11R1.36 CC(=O)C(C)c1ccccn1 1458a_100000722050_200000210301 [0,1,0,0,0,0|1,0,2]=4 219 B11R1.36 CC(=O)C(F)c1ccccc1 1458a_100000698975_200000210301 [0,1,0,0,0,0|1,0,1]=3 220 B11R1.36 CC(=O)N(C)c1ccccc1 11a_100000210012_100015343762 [0,1,0,0,0,0|1,0,1]=3 221 B11R1.36 CC(=O)N(C)c1ccccc1 1626a_100000210012_100015343762 [0,1,0,0,0,0|1,0,1]=3 222 B11R1.36 CC(=O)N(C)c1ccccc1 22a_100000210012_100000070787 [0,1,0,0,0,0|1,0,1]=3 223 B11R1.36 CC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_200000210301 [0,1,0,0,0,0|0,0,2]=3 224 B11R1.36 CC(=O)[C@H](O)c1ccccc1 1458a_100000684486_200000210301 [0,1,0,0,0,0|1,0,1]=3 225 B11R1.36 CC(C(=O)[13CH3])c1ccccn1 1458a_100000722050_200025704644 [0,1,0,0,0,0|1,0,2]=4 226 B11R1.36 CC(C)C(=O)c1ccccc1 1458a_100000185807_100000210206 [0,1,0,0,0,0|2,0,1]=4 227 B11R1.36 CN(C)C(=O)c1ccccc1 11a_100102631434_100000185807 [0,1,0,0,0,0|3,0,0]=4 228 B11R1.36 CN(C)C(=O)c1ccccc1 1626a_100102631434_100000185807 [0,1,0,0,0,0|3,0,0]=4 229 B11R1.36 CN(C)C(=O)c1ccccc1 240690a_100102631434_100000185807 [0,1,0,0,0,0|3,0,0]=4 230 B11R1.36 CN(C)C(=O)c1ccccc1 527a_100102631434_100000185807 [0,1,0,0,0,0|3,0,0]=4 231 B11R1.36 C[C@H](C(=O)[13CH3])c1ccccc1 1458a_100000751047_200025704644 [0,1,0,0,0,0|0,0,2]=3 232 B11R1.36 [13CH3]C(=O)C(F)c1ccccc1 1458a_100000698975_200025704644 [0,1,0,0,0,0|1,0,1]=3 233 B11R1.36 [13CH3]C(=O)[C@H](O)c1ccccc1 1458a_100000684486_200025704644 [0,1,0,0,0,0|1,0,1]=3 234 B11R1.222 CCC(=O)c1ccccc1Br 1458a_100000188424_100000210202 [0,1,0,0,0,0|2,0,1]=4 235 B11R1.222 CCC(=O)c1ccccc1C 1458a_100000212026_100000210202 [0,1,0,0,0,0|2,0,1]=4 236 B11R1.222 CCC(=O)c1ccccc1Cl 1458a_100000185844_100000210202 [0,1,0,0,0,0|2,0,1]=4 237 B11R1.222 CCC(=O)c1ccccc1F 1458a_100000188656_100000210202 [0,1,0,0,0,0|2,0,1]=4 238 B11R1.222 CCC(=O)c1ccccc1I 1458a_100000187884_100000210202 [0,1,0,0,0,0|2,0,1]=4 239 B11R1.222 CCC(=O)c1ccccc1O 1458a_100015234032_100000210202 [0,1,0,0,0,0|2,0,1]=4 240 B11R1.222 CCC(=O)c1ccccc1[O-] 1458a_100009911694_100000210202 [0,1,0,0,0,0|2,0,1]=4 241 B11R1.222 CNC(=O)c1ccccc1Br 11a_106832991635_100000188424 [0,1,0,0,0,0|3,0,0]=4 242 B11R1.222 CNC(=O)c1ccccc1Br 1626a_100102657272_100000188424 [0,1,0,0,0,0|3,0,0]=4 243 B11R1.222 CNC(=O)c1ccccc1Br 240690a_100102657272_100000188424 [0,1,0,0,0,0|3,0,0]=4 244 B11R1.222 CNC(=O)c1ccccc1Br 527a_100102657272_100000188424 [0,1,0,0,0,0|3,0,0]=4 245 B11R1.222 CNC(=O)c1ccccc1C 11a_106832991635_100000212026 [0,1,0,0,0,0|3,0,0]=4 246 B11R1.222 CNC(=O)c1ccccc1C 1626a_100102657272_100000212026 [0,1,0,0,0,0|3,0,0]=4 247 B11R1.222 CNC(=O)c1ccccc1C 240690a_100102657272_100000212026 [0,1,0,0,0,0|3,0,0]=4 248 B11R1.222 CNC(=O)c1ccccc1C 527a_100102657272_100000212026 [0,1,0,0,0,0|3,0,0]=4 249 B11R1.222 CNC(=O)c1ccccc1Cl 11a_106832991635_100000185844 [0,1,0,0,0,0|3,0,0]=4 250 B11R1.222 CNC(=O)c1ccccc1Cl 1626a_100102657272_100000185844 [0,1,0,0,0,0|3,0,0]=4 251 B11R1.222 CNC(=O)c1ccccc1Cl 240690a_100102657272_100000185844 [0,1,0,0,0,0|3,0,0]=4 252 B11R1.222 CNC(=O)c1ccccc1Cl 527a_100102657272_100000185844 [0,1,0,0,0,0|3,0,0]=4 253 B11R1.222 CNC(=O)c1ccccc1F 11a_106832991635_100000188656 [0,1,0,0,0,0|3,0,0]=4 254 B11R1.222 CNC(=O)c1ccccc1F 1626a_100102657272_100000188656 [0,1,0,0,0,0|3,0,0]=4 255 B11R1.222 CNC(=O)c1ccccc1F 240690a_100102657272_100000188656 [0,1,0,0,0,0|3,0,0]=4 256 B11R1.222 CNC(=O)c1ccccc1F 527a_100102657272_100000188656 [0,1,0,0,0,0|3,0,0]=4 257 B11R1.222 CNC(=O)c1ccccc1I 11a_106832991635_100000187884 [0,1,0,0,0,0|3,0,0]=4 258 B11R1.222 CNC(=O)c1ccccc1I 1626a_100102657272_100000187884 [0,1,0,0,0,0|3,0,0]=4 259 B11R1.222 CNC(=O)c1ccccc1I 240690a_100102657272_100000187884 [0,1,0,0,0,0|3,0,0]=4 260 B11R1.222 CNC(=O)c1ccccc1I 527a_100102657272_100000187884 [0,1,0,0,0,0|3,0,0]=4 261 B11R1.222 CNC(=O)c1ccccc1O 240690a_100102657272_100015234032 [0,1,0,0,0,0|3,0,0]=4 262 B11R1.222 CNC(=O)c1ccccc1O 271570a_203496583355_100000155073 [0,1,0,0,0,0|3,0,0]=4 263 B11R1.222 CNC(=O)c1ccccc1[O-] 1626a_100102657272_100009911694 [0,1,0,0,0,0|3,0,0]=4 264 B11R1.222 CNC(=O)c1ccccc1[O-] 240690a_100102657272_100009911694 [0,1,0,0,0,0|3,0,0]=4 265 B11R1.222 CNC(=O)c1ccccc1[O-] 527a_100102657272_100009911694 [0,1,0,0,0,0|3,0,0]=4 266 B11R1.222 COC(=O)c1ccccc1O 271570a_203496583355_100000148710 [0,1,0,0,0,0|3,0,0]=4 267 B11R1.222 Cc1ccccc1C(=O)CF 1458a_100000212026_100015361967 [0,1,0,0,0,0|2,0,1]=4 268 B11R1.222 NNC(=O)c1ccccc1O 271570a_203496583355_100000190081 [0,1,0,0,0,0|3,0,0]=4 269 B11R1.222 O=C(CF)c1ccccc1Br 1458a_100000188424_100015361967 [0,1,0,0,0,0|2,0,1]=4 270 B11R1.222 O=C(CF)c1ccccc1Cl 1458a_100000185844_100015361967 [0,1,0,0,0,0|2,0,1]=4 271 B11R1.222 O=C(CF)c1ccccc1F 1458a_100000188656_100015361967 [0,1,0,0,0,0|2,0,1]=4 272 B11R1.222 O=C(CF)c1ccccc1I 1458a_100000187884_100015361967 [0,1,0,0,0,0|2,0,1]=4 273 B11R1.222 O=C(CF)c1ccccc1O 1458a_100015234032_100015361967 [0,1,0,0,0,0|2,0,1]=4 274 B11R1.222 O=C(CF)c1ccccc1[O-] 1458a_100009911694_100015361967 [0,1,0,0,0,0|2,0,1]=4 275 B11R2.1 Oc1c[nH]c2c1cccn2 271570a_203496583355_100011934613 [0,0,0,1,0,0|3,0,0]=4 276 B11R2.1 Oc1c[nH]c2c1ccnc2 271570a_203496583355_100010232032 [0,0,0,1,0,0|3,0,0]=4 277 B11R2.1 Oc1c[nH]c2c1cncc2 271570a_203496583355_100011934843 [0,0,0,1,0,0|3,0,0]=4 278 B11R2.1 Oc1c[nH]c2c1nccc2 271570a_203496583355_100009817151 [0,0,0,1,0,0|3,0,0]=4 279 B11R2.1 Oc1cnc2n1cccc2 271570a_203496583355_100011219245 [0,0,0,1,0,0|3,0,0]=4 280 B11R2.1 Oc1cnn2c1cccc2 271570a_203496583355_100009817726 [0,0,0,1,0,0|3,0,0]=4 281 B11R2.1 Oc1coc2c1cccc2 271570a_203496583355_100009812202 [0,0,0,1,0,0|1,0,1]=3 282 B11R2.1 Oc1coc2c1nccc2 271570a_203496583355_100009889148 [0,0,0,1,0,0|2,0,1]=4 283 B11R2.1 Oc1csc2c1cccc2 271570a_203496583355_100009813928 [0,0,0,1,0,0|1,1,0]=3 284 B11R2.1 Oc1csc2c1cccn2 271570a_203496583355_100009830249 [0,0,0,1,0,0|2,1,0]=4 285 B11R2.1 Oc1csc2c1ccnc2 271570a_203496583355_100009817111 [0,0,0,1,0,0|2,1,0]=4 286 B11R2.1 Oc1csc2c1cncc2 271570a_203496583355_100010247091 [0,0,0,1,0,0|2,1,0]=4 287 B11R2.1 Oc1csc2c1nccc2 271570a_203496583355_100010247092 [0,0,0,1,0,0|2,1,0]=4 288 B11R2.1 Oc1n[nH]c2c1cccc2 271570a_203496583355_100000050141 [0,0,0,1,0,0|3,0,0]=4 289 B11R1.40 C#CC(=O)Cc1ccccc1 1458a_100000211873_100015291786 [0,0,0,0,0,1|2,0,1]=4 290 B11R1.40 C=CC(=O)Cc1ccccc1 1458a_100000185746_100015291786 [0,0,0,0,0,1|2,0,0]=3 291 B11R1.40 C=CC(=O)Cc1ccccn1 1458a_100000185746_100000721315 [0,0,0,0,0,1|3,0,0]=4 292 B11R1.40 C=CC(=O)Cc1cccnc1 1458a_100000185746_100000733263 [0,0,0,0,0,1|3,0,0]=4 293 B11R1.40 C=CC(=O)Cc1ccncc1 1458a_100000185746_100000705612 [0,0,0,0,0,1|3,0,0]=4 294 B11R1.40 C=CC(=O)Nc1ccccc1 1626a_100000106764_100000185746 [0,0,0,0,0,1|2,0,0]=3 295 B11R1.40 C=CC(=O)Nc1ccccc1 22a_100000106764_100000185746 [0,0,0,0,0,1|2,0,0]=3 296 B11R1.40 C=CC(C)Sc1ccccc1 62a_100011215867_100000041952 [0,0,0,0,0,1|1,0,2]=4 297 B11R1.40 CCC(=O)Cc1ccccc1 1458a_100000210414_100015291786 [0,0,0,0,0,1|2,0,1]=4 298 B11R1.40 CCC(=O)Nc1ccccc1 11a_100000106764_100000210414 [0,0,0,0,0,1|2,0,1]=4 299 B11R1.40 CCC(=O)Nc1ccccc1 1626a_100000106764_100000210414 [0,0,0,0,0,1|2,0,1]=4 300 B11R1.40 CCC(=O)Nc1ccccc1 22a_100000106764_100000210414 [0,0,0,0,0,1|2,0,1]=4 301 B11R1.40 CCC(=O)Nc1ccccc1 527a_100000106764_100000210414 [0,0,0,0,0,1|2,0,1]=4 302 B11R1.40 CNC(=O)Nc1ccccc1 2430a_100000106764_100102657272 [0,0,0,0,0,1|3,0,0]=4 303 B11R1.40 O=C(CO)Cc1ccccc1 1458a_100000210174_100015291786 [0,0,0,0,0,1|1,0,2]=4 304 B11R1.40 O=C(CO)Nc1ccccc1 22a_100000106764_100000210174 [0,0,0,0,0,1|1,0,2]=4 305 B11R1.40 O=C(CO)Nc1ccccc1 527a_100000106764_100000210174 [0,0,0,0,0,1|1,0,2]=4 306 B8R1.2 C=Cc1ccccc1 271570a_100011290941_100000210277 [2,0,0,0,0,0|0,0,0]=2 307 B8R1.2 C=Cc1ccccn1 271570a_100011290941_100011216584 [2,0,0,0,0,0|1,0,0]=3 308 B8R1.2 C=Cc1cccnc1 271570a_100011290941_100000752921 [2,0,0,0,0,0|1,0,0]=3 309 B8R1.2 C=Cc1cccnn1 271570a_100011290941_100016991348 [2,0,0,0,0,0|2,0,0]=4 310 B8R1.2 C=Cc1ccncc1 271570a_100011290941_100000035832 [2,0,0,0,0,0|1,0,0]=3 311 B8R1.2 C=Cc1ccncn1 271570a_100011290941_100000703185 [2,0,0,0,0,0|2,0,0]=4 312 B8R1.2 C=Cc1ccnnc1 271570a_100011290941_100000732662 [2,0,0,0,0,0|2,0,0]=4 313 B8R1.2 C=Cc1cnccn1 271570a_100011290941_100000758340 [2,0,0,0,0,0|2,0,0]=4 314 B8R1.2 C=Cc1cncnc1 271570a_100011290941_100011206942 [2,0,0,0,0,0|2,0,0]=4 315 B8R1.2 C=Cc1ncccn1 271570a_100011290941_100000211032 [2,0,0,0,0,0|2,0,0]=4 316 B8R1.2 CNc1ccccc1 34a_100000106764_200000210301 [2,0,0,0,0,0|1,0,1]=4 317 B8R1.2 COc1ccccc1 34a_100000210340_200000210301 [2,0,0,0,0,0|1,0,1]=4 318 B8R1.2 COc1ccccc1 7a_100000210340_200000210301 [2,0,0,0,0,0|1,0,1]=4 319 B8R1.2 CSc1ccccc1 62a_100000719477_200000210301 [2,0,0,0,0,0|1,0,1]=4 320 B8R1.2 CSc1ccccc1 62a_200000210301_100000041952 [2,0,0,0,0,0|1,0,1]=4 321 B8R1.2 [13CH3]Nc1ccccc1 34a_100000106764_200025704644 [2,0,0,0,0,0|1,0,1]=4 322 B8R1.2 [13CH3]Oc1ccccc1 34a_100000210340_200025704644 [2,0,0,0,0,0|1,0,1]=4 323 B8R1.2 [13CH3]Oc1ccccc1 7a_100000210340_200025704644 [2,0,0,0,0,0|1,0,1]=4 324 B8R1.2 [13CH3]Sc1ccccc1 62a_100000719477_200025704644 [2,0,0,0,0,0|1,0,1]=4 325 B8R1.2 [13CH3]Sc1ccccc1 62a_200025704644_100000041952 [2,0,0,0,0,0|1,0,1]=4 326 B10R1.13 C=C(C)c1cc[n+](cc1)[O-] 271570a_100000694244_100000039755 [1,1,0,0,0,0|1,0,1]=4 327 B10R1.13 C=C(C)c1ccc(=O)[nH]c1 271570a_100000694244_100000212171 [1,1,0,0,0,0|1,0,1]=4 328 B10R1.13 C=C(C)c1ccc(cc1)Br 271570a_100000694244_100000752885 [1,1,0,0,0,0|0,0,1]=3 329 B10R1.13 C=C(C)c1ccc(cc1)C 271570a_100000694244_100000186775 [1,1,0,0,0,0|0,0,1]=3 330 B10R1.13 C=C(C)c1ccc(cc1)Cl 271570a_100000694244_100000755918 [1,1,0,0,0,0|0,0,1]=3 331 B10R1.13 C=C(C)c1ccc(cc1)F 271570a_100000694244_100000211213 [1,1,0,0,0,0|0,0,1]=3 332 B10R1.13 C=C(C)c1ccc(cc1)N 271570a_100000694244_100000185761 [1,1,0,0,0,0|0,0,1]=3 333 B10R1.13 C=C(C)c1ccc(cc1)O 271570a_100000694244_100000185759 [1,1,0,0,0,0|0,0,1]=3 334 B10R1.13 C=C(C)c1ccc(cc1)O 271570a_203496583355_100000185454 [1,1,0,0,0,0|0,0,1]=3 335 B10R1.13 C=C(C)c1ccc(cn1)Br 271570a_100000694244_100000686858 [1,1,0,0,0,0|1,0,1]=4 336 B10R1.13 C=C(C)c1ccc(cn1)C 271570a_100000694244_100000754016 [1,1,0,0,0,0|1,0,1]=4 337 B10R1.13 C=C(C)c1ccc(cn1)Cl 271570a_100000694244_100011356976 [1,1,0,0,0,0|1,0,1]=4 338 B10R1.13 C=C(C)c1ccc(cn1)F 271570a_100000694244_100000744514 [1,1,0,0,0,0|1,0,1]=4 339 B10R1.13 C=C(C)c1ccc(cn1)N 271570a_100000694244_100000744251 [1,1,0,0,0,0|1,0,1]=4 340 B10R1.13 C=C(C)c1ccc(cn1)O 271570a_100000694244_100000685995 [1,1,0,0,0,0|1,0,1]=4 341 B10R1.13 C=C(C)c1ccc(nc1)Br 271570a_100000694244_100009814638 [1,1,0,0,0,0|1,0,1]=4 342 B10R1.13 C=C(C)c1ccc(nc1)C 271570a_100000694244_100000751577 [1,1,0,0,0,0|1,0,1]=4 343 B10R1.13 C=C(C)c1ccc(nc1)Cl 271570a_100000694244_100000034144 [1,1,0,0,0,0|1,0,1]=4 344 B10R1.13 C=C(C)c1ccc(nc1)F 271570a_100000694244_100000748661 [1,1,0,0,0,0|1,0,1]=4 345 B10R1.13 C=C(C)c1ccc(nc1)N 271570a_100000694244_100000187370 [1,1,0,0,0,0|1,0,1]=4 346 B10R1.13 CC(=O)c1ccc(cc1)Br 1458a_100000185839_200000210301 [1,1,0,0,0,0|0,0,1]=3 347 B10R1.13 CC(=O)c1ccc(cc1)C 1458a_100000188618_200000210301 [1,1,0,0,0,0|0,0,1]=3 348 B10R1.13 CC(=O)c1ccc(cc1)Cl 1458a_100000210187_200000210301 [1,1,0,0,0,0|0,0,1]=3 349 B10R1.13 CC(=O)c1ccc(cc1)F 1458a_100000187176_200000210301 [1,1,0,0,0,0|0,0,1]=3 350 B10R1.13 CC(=O)c1ccc(cc1)I 1458a_100000187904_200000210301 [1,1,0,0,0,0|0,0,1]=3 351 B10R1.13 CC(=O)c1ccc(cc1)O 1458a_100000212099_200000210301 [1,1,0,0,0,0|0,0,1]=3 352 B10R1.13 CC(=O)c1ccc(cc1)O 271570a_203496583355_100000185465 [1,1,0,0,0,0|0,0,1]=3 353 B10R1.13 CC(=O)c1ccc(cn1)O 271570a_203496583355_100000686046 [1,1,0,0,0,0|1,0,1]=4 354 B10R1.13 CC(=O)c1ccc(nc1)O 271570a_203496583355_100000684857 [1,1,0,0,0,0|1,0,1]=4 355 B10R1.13 CS(=O)c1ccc(cc1)O 271570a_203496583355_100009816266 [1,1,0,0,0,0|1,0,1]=4 356 B10R1.13 Cc1ccc(cc1)C(=O)[13CH3] 1458a_100000188618_200025704644 [1,1,0,0,0,0|0,0,1]=3 357 B10R1.13 NC(=O)c1ccc(cc1)O 271570a_203496583355_100000162191 [1,1,0,0,0,0|1,0,0]=3 358 B10R1.13 NC(=O)c1ccc(cn1)O 271570a_203496583355_100011219284 [1,1,0,0,0,0|2,0,0]=4 359 B10R1.13 NC(=O)c1ccc(nc1)O 271570a_203496583355_100000162237 [1,1,0,0,0,0|2,0,0]=4 360 B10R1.13 [13CH3]C(=O)c1ccc(cc1)Br 1458a_100000185839_200025704644 [1,1,0,0,0,0|0,0,1]=3 361 B10R1.13 [13CH3]C(=O)c1ccc(cc1)Cl 1458a_100000210187_200025704644 [1,1,0,0,0,0|0,0,1]=3 362 B10R1.13 [13CH3]C(=O)c1ccc(cc1)F 1458a_100000187176_200025704644 [1,1,0,0,0,0|0,0,1]=3 363 B10R1.13 [13CH3]C(=O)c1ccc(cc1)I 1458a_100000187904_200025704644 [1,1,0,0,0,0|0,0,1]=3 364 B10R1.13 [13CH3]C(=O)c1ccc(cc1)O 1458a_100000212099_200025704644 [1,1,0,0,0,0|0,0,1]=3 365 B10R1.61 C=C(C)c1c[nH]ccc1=O 271570a_100000694244_100009998708 [1,1,0,0,0,0|1,0,1]=4 366 B10R1.61 C=C(C)c1c[nH]ccc1=S 271570a_100000694244_200012280681 [1,1,0,0,0,0|1,0,1]=4 367 B10R1.61 C=C(C)c1ccc[nH]c1=O 271570a_100000694244_100000050042 [1,1,0,0,0,0|1,0,1]=4 368 B10R1.61 C=C(C)c1cccc[n+]1C 271570a_100000694244_100000212160 [1,1,0,0,0,0|1,0,1]=4 369 B10R1.61 C=C(C)c1cccc[n+]1[O-] 271570a_100000694244_200000042595 [1,1,0,0,0,0|1,0,1]=4 370 B10R1.61 C=C(C)c1ccccc1Br 271570a_100000694244_100000695589 [1,1,0,0,0,0|0,0,1]=3 371 B10R1.61 C=C(C)c1ccccc1C 271570a_100000694244_100000210755 [1,1,0,0,0,0|0,0,1]=3 372 B10R1.61 C=C(C)c1ccccc1Cl 271570a_100000694244_100000764095 [1,1,0,0,0,0|0,0,1]=3 373 B10R1.61 C=C(C)c1ccccc1F 271570a_100000694244_100011215700 [1,1,0,0,0,0|0,0,1]=3 374 B10R1.61 C=C(C)c1ccccc1N 271570a_100000694244_100000210017 [1,1,0,0,0,0|0,0,1]=3 375 B10R1.61 C=C(C)c1ccccc1O 271570a_100000694244_100000739446 [1,1,0,0,0,0|0,0,1]=3 376 B10R1.61 C=C(C)c1cccnc1Br 271570a_100000694244_100010202626 [1,1,0,0,0,0|1,0,1]=4 377 B10R1.61 C=C(C)c1cccnc1C 271570a_100000694244_100000751574 [1,1,0,0,0,0|1,0,1]=4 378 B10R1.61 C=C(C)c1cccnc1Cl 271570a_100000694244_100000036424 [1,1,0,0,0,0|1,0,1]=4 379 B10R1.61 C=C(C)c1cccnc1F 271570a_100000694244_100009816115 [1,1,0,0,0,0|1,0,1]=4 380 B10R1.61 C=C(C)c1cccnc1N 271570a_100000694244_100000045569 [1,1,0,0,0,0|1,0,1]=4 381 B10R1.61 C=C(C)c1ccncc1Br 271570a_100000694244_100000726257 [1,1,0,0,0,0|1,0,1]=4 382 B10R1.61 C=C(C)c1ccncc1C 271570a_100000694244_100015191297 [1,1,0,0,0,0|1,0,1]=4 383 B10R1.61 C=C(C)c1ccncc1Cl 271570a_100000694244_100000708259 [1,1,0,0,0,0|1,0,1]=4 384 B10R1.61 C=C(C)c1ccncc1F 271570a_100000694244_100000047030 [1,1,0,0,0,0|1,0,1]=4 385 B10R1.61 C=C(C)c1ccncc1N 271570a_100000694244_100009815883 [1,1,0,0,0,0|1,0,1]=4 386 B10R1.61 C=C(C)c1ccncc1O 271570a_100000694244_100009817591 [1,1,0,0,0,0|1,0,1]=4 387 B10R1.61 C=C(C)c1cnccc1Br 271570a_100000694244_100010138639 [1,1,0,0,0,0|1,0,1]=4 388 B10R1.61 C=C(C)c1cnccc1C 271570a_100000694244_100000761580 [1,1,0,0,0,0|1,0,1]=4 389 B10R1.61 C=C(C)c1cnccc1Cl 271570a_100000694244_100009995489 [1,1,0,0,0,0|1,0,1]=4 390 B10R1.61 C=C(C)c1cnccc1F 271570a_100000694244_100009820683 [1,1,0,0,0,0|1,0,1]=4 391 B10R1.61 C=C(C)c1cnccc1N 271570a_100000694244_100000047001 [1,1,0,0,0,0|1,0,1]=4 392 B10R1.61 C=C(C)c1ncccc1Br 271570a_100000694244_100000696092 [1,1,0,0,0,0|1,0,1]=4 393 B10R1.61 C=C(C)c1ncccc1C 271570a_100000694244_100000751373 [1,1,0,0,0,0|1,0,1]=4 394 B10R1.61 C=C(C)c1ncccc1Cl 271570a_100000694244_100011356963 [1,1,0,0,0,0|1,0,1]=4 395 B10R1.61 C=C(C)c1ncccc1F 271570a_100000694244_100000685392 [1,1,0,0,0,0|1,0,1]=4 396 B10R1.61 C=C(C)c1ncccc1N 271570a_100000694244_100000688686 [1,1,0,0,0,0|1,0,1]=4 397 B10R1.61 C=C(C)c1ncccc1O 271570a_100000694244_100000034122 [1,1,0,0,0,0|1,0,1]=4 398 B10R1.61 CC(=O)c1ccccc1Br 1458a_100000188424_200000210301 [1,1,0,0,0,0|0,0,1]=3 399 B10R1.61 CC(=O)c1ccccc1C 1458a_100000212026_200000210301 [1,1,0,0,0,0|0,0,1]=3 400 B10R1.61 CC(=O)c1ccccc1Cl 1458a_100000185844_200000210301 [1,1,0,0,0,0|0,0,1]=3 401 B10R1.61 CC(=O)c1ccccc1F 1458a_100000188656_200000210301 [1,1,0,0,0,0|0,0,1]=3 402 B10R1.61 CC(=O)c1ccccc1I 1458a_100000187884_200000210301 [1,1,0,0,0,0|0,0,1]=3 403 B10R1.61 CC(=O)c1ccccc1O 1458a_100015234032_200000210301 [1,1,0,0,0,0|0,0,1]=3 404 B10R1.61 CC(=O)c1ccccc1O 271570a_203496583355_100000751169 [1,1,0,0,0,0|0,0,1]=3 405 B10R1.61 CC(=O)c1ccccc1[O-] 1458a_100009911694_200000210301 [1,1,0,0,0,0|0,0,1]=3 406 B10R1.61 CC(=O)c1cccnc1O 271570a_203496583355_100000753718 [1,1,0,0,0,0|1,0,1]=4 407 B10R1.61 CC(=O)c1ccncc1O 271570a_203496583355_100009993184 [1,1,0,0,0,0|1,0,1]=4 408 B10R1.61 CC(=O)c1cnccc1O 271570a_203496583355_100160469449 [1,1,0,0,0,0|1,0,1]=4 409 B10R1.61 CC(=O)c1ncccc1O 271570a_203496583355_100012348690 [1,1,0,0,0,0|1,0,1]=4 410 B10R1.61 CS(=O)c1ccccc1O 271570a_203496583355_100000734199 [1,1,0,0,0,0|1,0,1]=4 411 B10R1.61 Cc1ccccc1C(=O)[13CH3] 1458a_100000212026_200025704644 [1,1,0,0,0,0|0,0,1]=3 412 B10R1.61 NC(=O)c1ccccc1O 271570a_203496583355_100000162227 [1,1,0,0,0,0|1,0,0]=3 413 B10R1.61 NC(=O)c1cccnc1O 271570a_203496583355_100000162199 [1,1,0,0,0,0|2,0,0]=4 414 B10R1.61 NC(=O)c1ccncc1O 271570a_203496583355_100010205435 [1,1,0,0,0,0|2,0,0]=4 415 B10R1.61 NC(=O)c1cnccc1O 271570a_203496583355_100000697804 [1,1,0,0,0,0|2,0,0]=4 416 B10R1.61 NC(=O)c1ncccc1O 271570a_203496583355_200012359670 [1,1,0,0,0,0|2,0,0]=4 417 B10R1.61 [13CH3]C(=O)c1ccccc1Br 1458a_100000188424_200025704644 [1,1,0,0,0,0|0,0,1]=3 418 B10R1.61 [13CH3]C(=O)c1ccccc1Cl 1458a_100000185844_200025704644 [1,1,0,0,0,0|0,0,1]=3 419 B10R1.61 [13CH3]C(=O)c1ccccc1F 1458a_100000188656_200025704644 [1,1,0,0,0,0|0,0,1]=3 420 B10R1.61 [13CH3]C(=O)c1ccccc1I 1458a_100000187884_200025704644 [1,1,0,0,0,0|0,0,1]=3 421 B10R1.61 [13CH3]C(=O)c1ccccc1O 1458a_100015234032_200025704644 [1,1,0,0,0,0|0,0,1]=3 422 B10R1.61 [13CH3]C(=O)c1ccccc1[O-] 1458a_100009911694_200025704644 [1,1,0,0,0,0|0,0,1]=3 423 B10R1.113 C=C(C)c1cc(ccn1)C 271570a_100000694244_100000750283 [1,1,0,0,0,0|1,0,1]=4 424 B10R1.113 C=C(C)c1cc(ccn1)Cl 271570a_100000694244_100010167805 [1,1,0,0,0,0|1,0,1]=4 425 B10R1.113 C=C(C)c1cc(ccn1)F 271570a_100000694244_100009817058 [1,1,0,0,0,0|1,0,1]=4 426 B10R1.113 C=C(C)c1cc(ccn1)N 271570a_100000694244_100009814236 [1,1,0,0,0,0|1,0,1]=4 427 B10R1.113 C=C(C)c1cc(ccn1)O 271570a_100000694244_100000762945 [1,1,0,0,0,0|1,0,1]=4 428 B10R1.113 C=C(C)c1cc[nH]c(=O)c1 271570a_100000694244_100009816521 [1,1,0,0,0,0|1,0,1]=4 429 B10R1.113 C=C(C)c1ccc[n+](c1)C 271570a_100000694244_100009996589 [1,1,0,0,0,0|1,0,1]=4 430 B10R1.113 C=C(C)c1ccc[n+](c1)[O-] 271570a_100000694244_100009815978 [1,1,0,0,0,0|1,0,1]=4 431 B10R1.113 C=C(C)c1cccc(=O)[nH]1 271570a_100000694244_100000761760 [1,1,0,0,0,0|1,0,1]=4 432 B10R1.113 C=C(C)c1cccc(c1)Br 271570a_100000694244_100000691529 [1,1,0,0,0,0|0,0,1]=3 433 B10R1.113 C=C(C)c1cccc(c1)C 271570a_100000694244_100011215228 [1,1,0,0,0,0|0,0,1]=3 434 B10R1.113 C=C(C)c1cccc(c1)Cl 271570a_100000694244_100000699651 [1,1,0,0,0,0|0,0,1]=3 435 B10R1.113 C=C(C)c1cccc(c1)F 271570a_100000694244_100000685547 [1,1,0,0,0,0|0,0,1]=3 436 B10R1.113 C=C(C)c1cccc(c1)N 271570a_100000694244_100000210019 [1,1,0,0,0,0|0,0,1]=3 437 B10R1.113 C=C(C)c1cccc(c1)O 271570a_100000694244_100000211634 [1,1,0,0,0,0|0,0,1]=3 438 B10R1.113 C=C(C)c1cccc(c1)O 271570a_203496583355_100012123953 [1,1,0,0,0,0|0,0,1]=3 439 B10R1.113 C=C(C)c1cccc(c1)[S] 271570a_100000694244_114929384022 [1,1,0,0,0,0|0,0,1]=3 440 B10R1.113 C=C(C)c1cccc(n1)Br 271570a_100000694244_100000684672 [1,1,0,0,0,0|1,0,1]=4 441 B10R1.113 C=C(C)c1cccc(n1)C 271570a_100000694244_100000742759 [1,1,0,0,0,0|1,0,1]=4 442 B10R1.113 C=C(C)c1cccc(n1)F 271570a_100000694244_100009815982 [1,1,0,0,0,0|1,0,1]=4 443 B10R1.113 C=C(C)c1cccc(n1)N 271570a_100000694244_100000740741 [1,1,0,0,0,0|1,0,1]=4 444 B10R1.113 C=C(C)c1ccnc(c1)Br 271570a_100000694244_100009814637 [1,1,0,0,0,0|1,0,1]=4 445 B10R1.113 C=C(C)c1ccnc(c1)C 271570a_100000694244_100000758586 [1,1,0,0,0,0|1,0,1]=4 446 B10R1.113 C=C(C)c1ccnc(c1)Cl 271570a_100000694244_100000035001 [1,1,0,0,0,0|1,0,1]=4 447 B10R1.113 C=C(C)c1ccnc(c1)F 271570a_100000694244_100009816116 [1,1,0,0,0,0|1,0,1]=4 448 B10R1.113 C=C(C)c1ccnc(c1)N 271570a_100000694244_100000744379 [1,1,0,0,0,0|1,0,1]=4 449 B10R1.113 C=C(C)c1cncc(c1)Br 271570a_100000694244_100000728054 [1,1,0,0,0,0|1,0,1]=4 450 B10R1.113 C=C(C)c1cncc(c1)C 271570a_100000694244_100000760492 [1,1,0,0,0,0|1,0,1]=4 451 B10R1.113 C=C(C)c1cncc(c1)Cl 271570a_100000694244_100000049639 [1,1,0,0,0,0|1,0,1]=4 452 B10R1.113 C=C(C)c1cncc(c1)F 271570a_100000694244_100000744099 [1,1,0,0,0,0|1,0,1]=4 453 B10R1.113 C=C(C)c1cncc(c1)N 271570a_100000694244_100000687067 [1,1,0,0,0,0|1,0,1]=4 454 B10R1.113 C=C(C)c1cncc(c1)O 271570a_100000694244_100000754920 [1,1,0,0,0,0|1,0,1]=4 455 B10R1.113 C=C(C)c1cncc(c1)O 271570a_203496583355_200009889500 [1,1,0,0,0,0|1,0,1]=4 456 B10R1.113 CC(=O)c1cc(ccn1)O 271570a_203496583355_100000709912 [1,1,0,0,0,0|1,0,1]=4 457 B10R1.113 CC(=O)c1cccc(c1)Br 1458a_100000210664_200000210301 [1,1,0,0,0,0|0,0,1]=3 458 B10R1.113 CC(=O)c1cccc(c1)C 1458a_100000189346_200000210301 [1,1,0,0,0,0|0,0,1]=3 459 B10R1.113 CC(=O)c1cccc(c1)Cl 1458a_100000210390_200000210301 [1,1,0,0,0,0|0,0,1]=3 460 B10R1.113 CC(=O)c1cccc(c1)F 1458a_100000210950_200000210301 [1,1,0,0,0,0|0,0,1]=3 461 B10R1.113 CC(=O)c1cccc(c1)I 1458a_100000184098_200000210301 [1,1,0,0,0,0|0,0,1]=3 462 B10R1.113 CC(=O)c1cccc(c1)O 1458a_100000183914_200000210301 [1,1,0,0,0,0|0,0,1]=3 463 B10R1.113 CC(=O)c1cccc(c1)O 271570a_203496583355_100000210093 [1,1,0,0,0,0|0,0,1]=3 464 B10R1.113 CC(=O)c1cccc(n1)O 271570a_203496583355_100009816502 [1,1,0,0,0,0|1,0,1]=4 465 B10R1.113 CC(=O)c1ccnc(c1)O 271570a_203496583355_100000685609 [1,1,0,0,0,0|1,0,1]=4 466 B10R1.113 CC(=O)c1cncc(c1)O 271570a_203496583355_100011216243 [1,1,0,0,0,0|1,0,1]=4 467 B10R1.113 CS(=O)c1cccc(c1)O 271570a_203496583355_100009816267 [1,1,0,0,0,0|1,0,1]=4 468 B10R1.113 Cc1cccc(c1)C(=O)[13CH3] 1458a_100000189346_200025704644 [1,1,0,0,0,0|0,0,1]=3 469 B10R1.113 NC(=O)c1cc(ccn1)O 271570a_203496583355_100000229564 [1,1,0,0,0,0|2,0,0]=4 470 B10R1.113 NC(=O)c1cccc(c1)O 271570a_203496583355_100000162208 [1,1,0,0,0,0|1,0,0]=3 471 B10R1.113 NC(=O)c1cccc(n1)O 271570a_203496583355_100011834053 [1,1,0,0,0,0|2,0,0]=4 472 B10R1.113 NC(=O)c1ccnc(c1)O 271570a_203496583355_100000229836 [1,1,0,0,0,0|2,0,0]=4 473 B10R1.113 NC(=O)c1cncc(c1)O 271570a_203496583355_100000162242 [1,1,0,0,0,0|2,0,0]=4 474 B10R1.113 [13CH3]C(=O)c1cccc(c1)Br 1458a_100000210664_200025704644 [1,1,0,0,0,0|0,0,1]=3 475 B10R1.113 [13CH3]C(=O)c1cccc(c1)Cl 1458a_100000210390_200025704644 [1,1,0,0,0,0|0,0,1]=3 476 B10R1.113 [13CH3]C(=O)c1cccc(c1)F 1458a_100000210950_200025704644 [1,1,0,0,0,0|0,0,1]=3 477 B10R1.113 [13CH3]C(=O)c1cccc(c1)I 1458a_100000184098_200025704644 [1,1,0,0,0,0|0,0,1]=3 478 B10R1.113 [13CH3]C(=O)c1cccc(c1)O 1458a_100000183914_200025704644 [1,1,0,0,0,0|0,0,1]=3 479 B10R1.1 C/C=C/c1ccc(cc1)O 271570a_203496583355_100016259036 [1,1,0,0,0,0|1,0,0]=3 480 B10R1.1 C=C=Cc1ccc(cc1)Br 271570a_100015277604_100000752885 [1,1,0,0,0,0|1,0,1]=4 481 B10R1.1 C=C=Cc1ccc(cc1)C 271570a_100015277604_100000186775 [1,1,0,0,0,0|1,0,1]=4 482 B10R1.1 C=C=Cc1ccc(cc1)Cl 271570a_100015277604_100000755918 [1,1,0,0,0,0|1,0,1]=4 483 B10R1.1 C=C=Cc1ccc(cc1)F 271570a_100015277604_100000211213 [1,1,0,0,0,0|1,0,1]=4 484 B10R1.1 C=C=Cc1ccc(cc1)N 271570a_100015277604_100000185761 [1,1,0,0,0,0|1,0,1]=4 485 B10R1.1 C=C=Cc1ccc(cc1)O 271570a_100015277604_100000185759 [1,1,0,0,0,0|1,0,1]=4 486 B10R1.1 CC=Cc1cc[n+](cc1)[O-] 271570a_100016259895_100000039755 [1,1,0,0,0,0|2,0,0]=4 487 B10R1.1 CC=Cc1ccc(=O)[nH]c1 271570a_100016259895_100000212171 [1,1,0,0,0,0|2,0,0]=4 488 B10R1.1 CC=Cc1ccc(cc1)Br 271570a_100016259895_100000752885 [1,1,0,0,0,0|1,0,0]=3 489 B10R1.1 CC=Cc1ccc(cc1)C 271570a_100016259895_100000186775 [1,1,0,0,0,0|1,0,0]=3 490 B10R1.1 CC=Cc1ccc(cc1)Cl 271570a_100016259895_100000755918 [1,1,0,0,0,0|1,0,0]=3 491 B10R1.1 CC=Cc1ccc(cc1)F 271570a_100016259895_100000211213 [1,1,0,0,0,0|1,0,0]=3 492 B10R1.1 CC=Cc1ccc(cc1)N 271570a_100016259895_100000185761 [1,1,0,0,0,0|1,0,0]=3 493 B10R1.1 CC=Cc1ccc(cc1)O 271570a_100016259895_100000185759 [1,1,0,0,0,0|1,0,0]=3 494 B10R1.1 CC=Cc1ccc(cn1)Br 271570a_100016259895_100000686858 [1,1,0,0,0,0|2,0,0]=4 495 B10R1.1 CC=Cc1ccc(cn1)C 271570a_100016259895_100000754016 [1,1,0,0,0,0|2,0,0]=4 496 B10R1.1 CC=Cc1ccc(cn1)Cl 271570a_100016259895_100011356976 [1,1,0,0,0,0|2,0,0]=4 497 B10R1.1 CC=Cc1ccc(cn1)F 271570a_100016259895_100000744514 [1,1,0,0,0,0|2,0,0]=4 498 B10R1.1 CC=Cc1ccc(cn1)N 271570a_100016259895_100000744251 [1,1,0,0,0,0|2,0,0]=4 499 B10R1.1 CC=Cc1ccc(cn1)O 271570a_100016259895_100000685995 [1,1,0,0,0,0|2,0,0]=4 500 B10R1.1 CC=Cc1ccc(nc1)Br 271570a_100016259895_100009814638 [1,1,0,0,0,0|2,0,0]=4 501 B10R1.1 CC=Cc1ccc(nc1)C 271570a_100016259895_100000751577 [1,1,0,0,0,0|2,0,0]=4 502 B10R1.1 CC=Cc1ccc(nc1)Cl 271570a_100016259895_100000034144 [1,1,0,0,0,0|2,0,0]=4 503 B10R1.1 CC=Cc1ccc(nc1)F 271570a_100016259895_100000748661 [1,1,0,0,0,0|2,0,0]=4 504 B10R1.1 CC=Cc1ccc(nc1)N 271570a_100016259895_100000187370 [1,1,0,0,0,0|2,0,0]=4 505 B10R1.1 O=CCc1ccc(cc1)O 271570a_203496583355_100011361690 [1,1,0,0,0,0|0,0,1]=3 506 B10R1.1 Oc1ccc(cc1)/C=C/Br 271570a_203496583355_200016255901 [1,1,0,0,0,0|1,0,0]=3 507 B10R1.4 C=C=Cc1ccccc1Br 271570a_100015277604_100000695589 [1,1,0,0,0,0|1,0,1]=4 508 B10R1.4 C=C=Cc1ccccc1C 271570a_100015277604_100000210755 [1,1,0,0,0,0|1,0,1]=4 509 B10R1.4 C=C=Cc1ccccc1Cl 271570a_100015277604_100000764095 [1,1,0,0,0,0|1,0,1]=4 510 B10R1.4 C=C=Cc1ccccc1F 271570a_100015277604_100011215700 [1,1,0,0,0,0|1,0,1]=4 511 B10R1.4 C=C=Cc1ccccc1N 271570a_100015277604_100000210017 [1,1,0,0,0,0|1,0,1]=4 512 B10R1.4 C=C=Cc1ccccc1O 271570a_100015277604_100000739446 [1,1,0,0,0,0|1,0,1]=4 513 B10R1.4 C=CCc1ccccc1O 271570a_203496583355_100009828059 [1,1,0,0,0,0|1,0,1]=4 514 B10R1.4 CC=Cc1c[nH]ccc1=O 271570a_100016259895_100009998708 [1,1,0,0,0,0|2,0,0]=4 515 B10R1.4 CC=Cc1c[nH]ccc1=S 271570a_100016259895_200012280681 [1,1,0,0,0,0|2,0,0]=4 516 B10R1.4 CC=Cc1ccc[nH]c1=O 271570a_100016259895_100000050042 [1,1,0,0,0,0|2,0,0]=4 517 B10R1.4 CC=Cc1cccc[n+]1C 271570a_100016259895_100000212160 [1,1,0,0,0,0|2,0,0]=4 518 B10R1.4 CC=Cc1cccc[n+]1[O-] 271570a_100016259895_200000042595 [1,1,0,0,0,0|2,0,0]=4 519 B10R1.4 CC=Cc1ccccc1Br 271570a_100016259895_100000695589 [1,1,0,0,0,0|1,0,0]=3 520 B10R1.4 CC=Cc1ccccc1C 271570a_100016259895_100000210755 [1,1,0,0,0,0|1,0,0]=3 521 B10R1.4 CC=Cc1ccccc1Cl 271570a_100016259895_100000764095 [1,1,0,0,0,0|1,0,0]=3 522 B10R1.4 CC=Cc1ccccc1F 271570a_100016259895_100011215700 [1,1,0,0,0,0|1,0,0]=3 523 B10R1.4 CC=Cc1ccccc1N 271570a_100016259895_100000210017 [1,1,0,0,0,0|1,0,0]=3 524 B10R1.4 CC=Cc1ccccc1O 271570a_100016259895_100000739446 [1,1,0,0,0,0|1,0,0]=3 525 B10R1.4 CC=Cc1cccnc1Br 271570a_100016259895_100010202626 [1,1,0,0,0,0|2,0,0]=4 526 B10R1.4 CC=Cc1cccnc1C 271570a_100016259895_100000751574 [1,1,0,0,0,0|2,0,0]=4 527 B10R1.4 CC=Cc1cccnc1Cl 271570a_100016259895_100000036424 [1,1,0,0,0,0|2,0,0]=4 528 B10R1.4 CC=Cc1cccnc1F 271570a_100016259895_100009816115 [1,1,0,0,0,0|2,0,0]=4 529 B10R1.4 CC=Cc1cccnc1N 271570a_100016259895_100000045569 [1,1,0,0,0,0|2,0,0]=4 530 B10R1.4 CC=Cc1ccncc1Br 271570a_100016259895_100000726257 [1,1,0,0,0,0|2,0,0]=4 531 B10R1.4 CC=Cc1ccncc1C 271570a_100016259895_100015191297 [1,1,0,0,0,0|2,0,0]=4 532 B10R1.4 CC=Cc1ccncc1Cl 271570a_100016259895_100000708259 [1,1,0,0,0,0|2,0,0]=4 533 B10R1.4 CC=Cc1ccncc1F 271570a_100016259895_100000047030 [1,1,0,0,0,0|2,0,0]=4 534 B10R1.4 CC=Cc1ccncc1N 271570a_100016259895_100009815883 [1,1,0,0,0,0|2,0,0]=4 535 B10R1.4 CC=Cc1ccncc1O 271570a_100016259895_100009817591 [1,1,0,0,0,0|2,0,0]=4 536 B10R1.4 CC=Cc1cnccc1Br 271570a_100016259895_100010138639 [1,1,0,0,0,0|2,0,0]=4 537 B10R1.4 CC=Cc1cnccc1C 271570a_100016259895_100000761580 [1,1,0,0,0,0|2,0,0]=4 538 B10R1.4 CC=Cc1cnccc1Cl 271570a_100016259895_100009995489 [1,1,0,0,0,0|2,0,0]=4 539 B10R1.4 CC=Cc1cnccc1F 271570a_100016259895_100009820683 [1,1,0,0,0,0|2,0,0]=4 540 B10R1.4 CC=Cc1cnccc1N 271570a_100016259895_100000047001 [1,1,0,0,0,0|2,0,0]=4 541 B10R1.4 CC=Cc1ncccc1Br 271570a_100016259895_100000696092 [1,1,0,0,0,0|2,0,0]=4 542 B10R1.4 CC=Cc1ncccc1C 271570a_100016259895_100000751373 [1,1,0,0,0,0|2,0,0]=4 543 B10R1.4 CC=Cc1ncccc1Cl 271570a_100016259895_100011356963 [1,1,0,0,0,0|2,0,0]=4 544 B10R1.4 CC=Cc1ncccc1F 271570a_100016259895_100000685392 [1,1,0,0,0,0|2,0,0]=4 545 B10R1.4 CC=Cc1ncccc1N 271570a_100016259895_100000688686 [1,1,0,0,0,0|2,0,0]=4 546 B10R1.4 CC=Cc1ncccc1O 271570a_100016259895_100000034122 [1,1,0,0,0,0|2,0,0]=4 547 B10R1.10 C=C=Cc1cccc(c1)Br 271570a_100015277604_100000691529 [1,1,0,0,0,0|1,0,1]=4 548 B10R1.10 C=C=Cc1cccc(c1)C 271570a_100015277604_100011215228 [1,1,0,0,0,0|1,0,1]=4 549 B10R1.10 C=C=Cc1cccc(c1)Cl 271570a_100015277604_100000699651 [1,1,0,0,0,0|1,0,1]=4 550 B10R1.10 C=C=Cc1cccc(c1)F 271570a_100015277604_100000685547 [1,1,0,0,0,0|1,0,1]=4 551 B10R1.10 C=C=Cc1cccc(c1)N 271570a_100015277604_100000210019 [1,1,0,0,0,0|1,0,1]=4 552 B10R1.10 C=C=Cc1cccc(c1)O 271570a_100015277604_100000211634 [1,1,0,0,0,0|1,0,1]=4 553 B10R1.10 C=C=Cc1cccc(c1)[S] 271570a_100015277604_114929384022 [1,1,0,0,0,0|1,0,1]=4 554 B10R1.10 C=CCc1cccc(c1)O 271570a_203496583355_100009816576 [1,1,0,0,0,0|1,0,1]=4 555 B10R1.10 CC=Cc1cc(ccn1)C 271570a_100016259895_100000750283 [1,1,0,0,0,0|2,0,0]=4 556 B10R1.10 CC=Cc1cc(ccn1)Cl 271570a_100016259895_100010167805 [1,1,0,0,0,0|2,0,0]=4 557 B10R1.10 CC=Cc1cc(ccn1)F 271570a_100016259895_100009817058 [1,1,0,0,0,0|2,0,0]=4 558 B10R1.10 CC=Cc1cc(ccn1)N 271570a_100016259895_100009814236 [1,1,0,0,0,0|2,0,0]=4 559 B10R1.10 CC=Cc1cc(ccn1)O 271570a_100016259895_100000762945 [1,1,0,0,0,0|2,0,0]=4 560 B10R1.10 CC=Cc1cc[nH]c(=O)c1 271570a_100016259895_100009816521 [1,1,0,0,0,0|2,0,0]=4 561 B10R1.10 CC=Cc1ccc[n+](c1)C 271570a_100016259895_100009996589 [1,1,0,0,0,0|2,0,0]=4 562 B10R1.10 CC=Cc1ccc[n+](c1)[O-] 271570a_100016259895_100009815978 [1,1,0,0,0,0|2,0,0]=4 563 B10R1.10 CC=Cc1cccc(=O)[nH]1 271570a_100016259895_100000761760 [1,1,0,0,0,0|2,0,0]=4 564 B10R1.10 CC=Cc1cccc(c1)Br 271570a_100016259895_100000691529 [1,1,0,0,0,0|1,0,0]=3 565 B10R1.10 CC=Cc1cccc(c1)C 271570a_100016259895_100011215228 [1,1,0,0,0,0|1,0,0]=3 566 B10R1.10 CC=Cc1cccc(c1)Cl 271570a_100016259895_100000699651 [1,1,0,0,0,0|1,0,0]=3 567 B10R1.10 CC=Cc1cccc(c1)F 271570a_100016259895_100000685547 [1,1,0,0,0,0|1,0,0]=3 568 B10R1.10 CC=Cc1cccc(c1)N 271570a_100016259895_100000210019 [1,1,0,0,0,0|1,0,0]=3 569 B10R1.10 CC=Cc1cccc(c1)O 271570a_100016259895_100000211634 [1,1,0,0,0,0|1,0,0]=3 570 B10R1.10 CC=Cc1cccc(c1)[S] 271570a_100016259895_114929384022 [1,1,0,0,0,0|1,0,0]=3 571 B10R1.10 CC=Cc1cccc(n1)Br 271570a_100016259895_100000684672 [1,1,0,0,0,0|2,0,0]=4 572 B10R1.10 CC=Cc1cccc(n1)C 271570a_100016259895_100000742759 [1,1,0,0,0,0|2,0,0]=4 573 B10R1.10 CC=Cc1cccc(n1)F 271570a_100016259895_100009815982 [1,1,0,0,0,0|2,0,0]=4 574 B10R1.10 CC=Cc1cccc(n1)N 271570a_100016259895_100000740741 [1,1,0,0,0,0|2,0,0]=4 575 B10R1.10 CC=Cc1ccnc(c1)Br 271570a_100016259895_100009814637 [1,1,0,0,0,0|2,0,0]=4 576 B10R1.10 CC=Cc1ccnc(c1)C 271570a_100016259895_100000758586 [1,1,0,0,0,0|2,0,0]=4 577 B10R1.10 CC=Cc1ccnc(c1)Cl 271570a_100016259895_100000035001 [1,1,0,0,0,0|2,0,0]=4 578 B10R1.10 CC=Cc1ccnc(c1)F 271570a_100016259895_100009816116 [1,1,0,0,0,0|2,0,0]=4 579 B10R1.10 CC=Cc1ccnc(c1)N 271570a_100016259895_100000744379 [1,1,0,0,0,0|2,0,0]=4 580 B10R1.10 CC=Cc1cncc(c1)Br 271570a_100016259895_100000728054 [1,1,0,0,0,0|2,0,0]=4 581 B10R1.10 CC=Cc1cncc(c1)C 271570a_100016259895_100000760492 [1,1,0,0,0,0|2,0,0]=4 582 B10R1.10 CC=Cc1cncc(c1)Cl 271570a_100016259895_100000049639 [1,1,0,0,0,0|2,0,0]=4 583 B10R1.10 CC=Cc1cncc(c1)F 271570a_100016259895_100000744099 [1,1,0,0,0,0|2,0,0]=4 584 B10R1.10 CC=Cc1cncc(c1)N 271570a_100016259895_100000687067 [1,1,0,0,0,0|2,0,0]=4 585 B10R1.10 CC=Cc1cncc(c1)O 271570a_100016259895_100000754920 [1,1,0,0,0,0|2,0,0]=4 586 B10R1.10 O=CCc1cccc(c1)O 271570a_203496583355_200000698211 [1,1,0,0,0,0|0,0,1]=3 587 B10R1.17 C=CCNc1ccccc1 34a_100000106764_100015514636 [1,1,0,0,0,0|1,0,1]=4 588 B10R1.17 C=CCOc1ccccc1 34a_100000210340_100015514636 [1,1,0,0,0,0|1,0,1]=4 589 B10R1.17 C=CCOc1ccccc1 7a_100000210340_100015514636 [1,1,0,0,0,0|1,0,1]=4 590 B10R1.17 C=CCSc1ccccc1 62a_100000210623_100000041952 [1,1,0,0,0,0|1,0,1]=4 591 B10R1.17 C=CCSc1ccccc1 62a_100000719477_100000210623 [1,1,0,0,0,0|1,0,1]=4 592 B10R1.17 CC=NNc1ccccc1 4a_100015195140_200000210099 [1,1,0,0,0,0|2,0,0]=4 593 B10R1.17 O=CCNc1ccccc1 34a_100000106764_200009817547 [1,1,0,0,0,0|0,0,1]=3 594 B10R1.17 O=CCOc1ccccc1 34a_100000210340_200009817547 [1,1,0,0,0,0|0,0,1]=3 595 B10R1.17 O=CCOc1ccccc1 7a_100000210340_200015260668 [1,1,0,0,0,0|0,0,1]=3 596 B10R1.17 O=CCOc1cccnc1 34a_100000210849_200009817547 [1,1,0,0,0,0|1,0,1]=4 597 B10R1.17 O=CCOc1cccnc1 7a_100000210849_200015260668 [1,1,0,0,0,0|1,0,1]=4 598 B10R1.17 O=CCOc1ccncc1 34a_100000212176_200009817547 [1,1,0,0,0,0|1,0,1]=4 599 B10R1.17 O=CCSc1ccccc1 62a_100000719477_200015260668 [1,1,0,0,0,0|0,0,1]=3 600 B10R1.17 O=CCSc1ccccc1 62a_200015260668_100000041952 [1,1,0,0,0,0|0,0,1]=3 601 B10R1.17 O=CCSc1ccccn1 62a_100011216584_200015260668 [1,1,0,0,0,0|1,0,1]=4 602 B10R1.17 O=CCSc1ccccn1 62a_200015260668_100011216584 [1,1,0,0,0,0|1,0,1]=4 603 B10R1.17 O=CCSc1cccnc1 62a_100000210063_200015260668 [1,1,0,0,0,0|1,0,1]=4 604 B10R1.17 O=CCSc1cccnc1 62a_200015260668_100000210063 [1,1,0,0,0,0|1,0,1]=4 605 B10R1.17 O=CCSc1ccncc1 62a_100000728582_200015260668 [1,1,0,0,0,0|1,0,1]=4 606 B10R1.17 O=CCSc1ccncc1 62a_200015260668_100000728582 [1,1,0,0,0,0|1,0,1]=4 607 B10R1.18 CC(=Cc1ccccc1)C 271570a_100102525489_100000210277 [1,1,0,0,0,0|1,0,0]=3 608 B10R1.18 CC(=Cc1ccccn1)C 271570a_100102525489_100011216584 [1,1,0,0,0,0|2,0,0]=4 609 B10R1.18 CC(=Cc1cccnc1)C 271570a_100102525489_100000752921 [1,1,0,0,0,0|2,0,0]=4 610 B10R1.18 CC(=Cc1ccncc1)C 271570a_100102525489_100000035832 [1,1,0,0,0,0|2,0,0]=4 611 B10R1.18 CC(=O)C[n+]1ccccc1 1458a_200000086051_200000210301 [1,1,0,0,0,0|1,0,1]=4 612 B10R1.18 CC(=O)Cc1ccccc1 1458a_100000070787_100015291786 [1,1,0,0,0,0|0,0,1]=3 613 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000070787_100000721315 [1,1,0,0,0,0|1,0,1]=4 614 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000233486_200000210301 [1,1,0,0,0,0|1,0,1]=4 615 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000070787_100000733263 [1,1,0,0,0,0|1,0,1]=4 616 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000737805_200000210301 [1,1,0,0,0,0|1,0,1]=4 617 B10R1.18 CC(=O)Cc1ccncc1 1458a_100000070787_100000705612 [1,1,0,0,0,0|1,0,1]=4 618 B10R1.18 CC(=O)Nc1ccccc1 11a_100000106764_100015343762 [1,1,0,0,0,0|1,0,0]=3 619 B10R1.18 CC(=O)Nc1ccccc1 1626a_100000106764_100015343762 [1,1,0,0,0,0|1,0,0]=3 620 B10R1.18 CC(=O)Nc1ccccc1 22a_100000106764_100000070787 [1,1,0,0,0,0|1,0,0]=3 621 B10R1.18 CC(=O)Nc1ccccc1 527a_100000106764_100103153847 [1,1,0,0,0,0|1,0,0]=3 622 B10R1.18 [13CH3]C(=O)C[n+]1ccccc1 1458a_200000086051_200025704644 [1,1,0,0,0,0|1,0,1]=4 623 B10R1.18 [13CH3]C(=O)Cc1ccccn1 1458a_100000233486_200025704644 [1,1,0,0,0,0|1,0,1]=4 624 B10R1.18 [13CH3]C(=O)Cc1cccnc1 1458a_100000737805_200025704644 [1,1,0,0,0,0|1,0,1]=4 625 B12R1.32 C=CCC(=O)Cc1ccccc1 1458a_100000210193_100015291786 [0,1,0,0,0,1|2,0,0]=4 626 B12R1.32 C=CCC(=O)Nc1ccccc1 11a_100000106764_100000210193 [0,1,0,0,0,1|2,0,0]=4 627 B12R1.32 C=CCC(=O)Nc1ccccc1 1626a_100000106764_100000210193 [0,1,0,0,0,1|2,0,0]=4 628 B12R1.32 C=CCC(=O)Nc1ccccc1 22a_100000106764_100000210193 [0,1,0,0,0,1|2,0,0]=4 629 B12R1.32 C=CCC(=O)Nc1ccccc1 527a_100000106764_100000210193 [0,1,0,0,0,1|2,0,0]=4 630 B12R1.32 CC=CC(=O)Cc1ccccc1 1458a_100000210699_100015291786 [0,1,0,0,0,1|2,0,0]=4 631 B12R1.32 CC=CC(=O)Nc1ccccc1 11a_100000106764_100000210699 [0,1,0,0,0,1|2,0,0]=4 632 B12R1.32 CC=CC(=O)Nc1ccccc1 1626a_100000106764_100000210699 [0,1,0,0,0,1|2,0,0]=4 633 B12R1.32 CC=CC(=O)Nc1ccccc1 22a_100000106764_100000210699 [0,1,0,0,0,1|2,0,0]=4 634 B12R1.32 CN(CC=O)Cc1ccccc1 2230a_100000186898_200015260668 [0,1,0,0,0,1|1,0,1]=4 635 B12R1.32 CN(CC=O)Cc1ccccc1 269982a_100000186898_200015260668 [0,1,0,0,0,1|1,0,1]=4 636 B12R1.32 O=C(C=CBr)Cc1ccccc1 1458a_100016273825_100015291786 [0,1,0,0,0,1|2,0,0]=4 637 B12R1.32 O=C(C=CBr)Nc1ccccc1 1626a_100000106764_100016273825 [0,1,0,0,0,1|2,0,0]=4 638 B12R1.32 O=C(C=CCl)Cc1ccccc1 1458a_200016279998_100015291786 [0,1,0,0,0,1|2,0,0]=4 639 B12R1.32 O=C(C=CCl)Nc1ccccc1 11a_100000106764_200016279998 [0,1,0,0,0,1|2,0,0]=4 640 B12R1.32 O=C(C=CCl)Nc1ccccc1 1626a_100000106764_200016279998 [0,1,0,0,0,1|2,0,0]=4 641 B12R1.32 O=C(C=CI)Cc1ccccc1 1458a_100016256311_100015291786 [0,1,0,0,0,1|2,0,0]=4 642 B12R1.32 O=C(C=CI)Nc1ccccc1 1626a_100000106764_100016256311 [0,1,0,0,0,1|2,0,0]=4 643 B12R1.34 C=CC(=O)C(C)c1ccccc1 1458a_100000185746_100000230085 [0,1,0,0,0,1|2,0,0]=4 644 B12R1.34 C=CC(=O)N(C)c1ccccc1 1626a_100000210012_100000185746 [0,1,0,0,0,1|2,0,0]=4 645 B12R1.34 C=CC(=O)N(C)c1ccccc1 22a_100000210012_100000185746 [0,1,0,0,0,1|2,0,0]=4 646 B12R1.43 C/C(=C\c1ccccc1)/C(=O)[13CH3] 1458a_100016990649_200025704644 [0,1,0,0,0,1|0,0,1]=3 647 B12R1.43 C/C(=C\c1ccccn1)/C(=O)[13CH3] 1458a_100025712827_200025704644 [0,1,0,0,0,1|1,0,1]=4 648 B12R1.43 C=C(Br)C(=O)Nc1ccccc1 11a_100000106764_100009813364 [0,1,0,0,0,1|2,0,0]=4 649 B12R1.43 C=C(Br)C(=O)Nc1ccccc1 1626a_100000106764_100009813364 [0,1,0,0,0,1|2,0,0]=4 650 B12R1.43 C=C(C)C(=O)Cc1ccccc1 1458a_100000185857_100015291786 [0,1,0,0,0,1|2,0,0]=4 651 B12R1.43 C=C(C)C(=O)Nc1ccccc1 11a_100000106764_100000185857 [0,1,0,0,0,1|2,0,0]=4 652 B12R1.43 C=C(C)C(=O)Nc1ccccc1 1626a_100000106764_100000185857 [0,1,0,0,0,1|2,0,0]=4 653 B12R1.43 C=C(C)C(=O)Nc1ccccc1 22a_100000106764_100000185857 [0,1,0,0,0,1|2,0,0]=4 654 B12R1.43 C=C(Cl)C(=O)Nc1ccccc1 11a_100000106764_100000039160 [0,1,0,0,0,1|2,0,0]=4 655 B12R1.43 C=C(Cl)C(=O)Nc1ccccc1 1626a_100000106764_100000039160 [0,1,0,0,0,1|2,0,0]=4 656 B12R1.43 C=C(Cl)C(=O)Nc1ccccc1 22a_100000106764_100000039160 [0,1,0,0,0,1|2,0,0]=4 657 B12R1.43 C=C(F)C(=O)Nc1ccccc1 11a_100000106764_100000036797 [0,1,0,0,0,1|2,0,0]=4 658 B12R1.43 C=C(F)C(=O)Nc1ccccc1 1626a_100000106764_100000036797 [0,1,0,0,0,1|2,0,0]=4 659 B12R1.43 C=C(F)C(=O)Nc1ccccc1 22a_100000106764_100000036797 [0,1,0,0,0,1|2,0,0]=4 660 B12R1.43 CC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_200000210301 [0,1,0,0,0,1|0,0,1]=3 661 B12R1.43 CC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_200000210301 [0,1,0,0,0,1|1,0,0]=3 662 B12R1.43 CC(=O)/C(=C/c1ccccn1)/C 1458a_100025712827_200000210301 [0,1,0,0,0,1|1,0,1]=4 663 B12R1.43 CC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_200000210301 [0,1,0,0,0,1|1,0,0]=3 664 B12R1.43 CC(=O)C(=Cc1cccnc1)F 1458a_100000731744_200000210301 [0,1,0,0,0,1|2,0,0]=4 665 B12R1.43 CC(=O)C(=O)Nc1ccccc1 1458a_100000738435_200000210301 [0,1,0,0,0,1|1,0,0]=3 666 B12R1.43 CC(=O)C(C)Cc1ccccc1 1458a_100000070787_200011218536 [0,1,0,0,0,1|0,0,2]=4 667 B12R1.43 CC(=O)C(C)Cc1ccccc1 1458a_100000754839_200000210301 [0,1,0,0,0,1|0,0,2]=4 668 B12R1.43 CC(=O)C(C)Oc1ccccc1 1458a_100000188414_200000210301 [0,1,0,0,0,1|0,0,2]=4 669 B12R1.43 CC(=O)C(C)Oc1ccccc1 7a_100000210340_100000179758 [0,1,0,0,0,1|0,0,2]=4 670 B12R1.43 CC(=O)C(C)Sc1ccccc1 1458a_100000199063_200000210301 [0,1,0,0,0,1|0,0,2]=4 671 B12R1.43 CC(=O)C(C)Sc1ccccc1 62a_100000719477_100009814033 [0,1,0,0,0,1|0,0,2]=4 672 B12R1.43 CC(=O)C(C)Sc1ccccc1 62a_100009814033_100000041952 [0,1,0,0,0,1|0,0,2]=4 673 B12R1.43 CC(=O)N(C)Cc1ccccc1 11a_100000186898_100015343762 [0,1,0,0,0,1|1,0,1]=4 674 B12R1.43 CC(=O)N(C)Cc1ccccc1 1626a_100000186898_100015343762 [0,1,0,0,0,1|1,0,1]=4 675 B12R1.43 CC(=O)N(C)Cc1ccccc1 240690a_100000186898_100015343762 [0,1,0,0,0,1|1,0,1]=4 676 B12R1.43 CC(=O)N(C)Cc1ccccc1 527a_100000186898_100103153847 [0,1,0,0,0,1|1,0,1]=4 677 B12R1.43 CC(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_200000210301 [0,1,0,0,0,1|1,0,1]=4 678 B12R1.43 CC(Cc1ccccc1)C(=O)[13CH3] 1458a_100000754839_200025704644 [0,1,0,0,0,1|0,0,2]=4 679 B12R1.43 CC(Nc1ccccc1)C(=O)N 34a_100000106764_100000702099 [0,1,0,0,0,1|0,0,2]=4 680 B12R1.43 CC(Oc1ccccc1)C(=O)N 34a_100000210340_100000702099 [0,1,0,0,0,1|0,0,2]=4 681 B12R1.43 CC(Oc1ccccc1)C(=O)N 7a_100000210340_100000702099 [0,1,0,0,0,1|0,0,2]=4 682 B12R1.43 CC(Oc1ccccc1)C(=O)[13CH3] 1458a_100000188414_200025704644 [0,1,0,0,0,1|0,0,2]=4 683 B12R1.43 CC(Sc1ccccc1)C(=O)N 62a_100000702099_100000041952 [0,1,0,0,0,1|0,0,2]=4 684 B12R1.43 CC(Sc1ccccc1)C(=O)N 62a_100000719477_100000702099 [0,1,0,0,0,1|0,0,2]=4 685 B12R1.43 CC(Sc1ccccc1)C(=O)[13CH3] 1458a_100000199063_200025704644 [0,1,0,0,0,1|0,0,2]=4 686 B12R1.43 NC(=O)C(=O)Nc1ccccc1 22a_100000106764_100011215815 [0,1,0,0,0,1|1,0,0]=3 687 B12R1.43 NC(=O)C(F)Nc1ccccc1 34a_100000106764_100009813875 [0,1,0,0,0,1|1,0,1]=4 688 B12R1.43 NC(=O)C(F)Oc1ccccc1 34a_100000210340_100009813875 [0,1,0,0,0,1|1,0,1]=4 689 B12R1.43 NC(=O)C(F)Oc1ccccc1 7a_100000210340_100009813875 [0,1,0,0,0,1|1,0,1]=4 690 B12R1.43 NC(=O)C(F)Sc1ccccc1 62a_100000719477_100009813875 [0,1,0,0,0,1|1,0,1]=4 691 B12R1.43 NC(=O)C(F)Sc1ccccc1 62a_100009813875_100000041952 [0,1,0,0,0,1|1,0,1]=4 692 B12R1.43 O=C([O-])C(F)Nc1ccccc1 34a_100000106764_100020610796 [0,1,0,0,0,1|1,0,1]=4 693 B12R1.43 O=C([O-])C(F)Oc1ccccc1 34a_100000210340_100020610796 [0,1,0,0,0,1|1,0,1]=4 694 B12R1.43 O=C([O-])C(F)Sc1ccccc1 62a_100000719477_100020610796 [0,1,0,0,0,1|1,0,1]=4 695 B12R1.43 O=C([O-])C(F)Sc1ccccc1 62a_100020610796_100000041952 [0,1,0,0,0,1|1,0,1]=4 696 B12R1.43 [13CH3]C(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_200025704644 [0,1,0,0,0,1|1,0,0]=3 697 B12R1.43 [13CH3]C(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_200025704644 [0,1,0,0,0,1|1,0,0]=3 698 B12R1.43 [13CH3]C(=O)C(=Cc1cccnc1)F 1458a_100000731744_200025704644 [0,1,0,0,0,1|2,0,0]=4 699 B12R1.43 [13CH3]C(=O)C(=O)Nc1ccccc1 1458a_100000738435_200025704644 [0,1,0,0,0,1|1,0,0]=3 700 B12R1.43 [13CH3]C(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_200025704644 [0,1,0,0,0,1|1,0,1]=4 701 B12R1.49 C=CC(=O)Cc1ccc(cc1)Br 1458a_100000185746_100000189115 [0,1,0,0,0,1|2,0,0]=4 702 B12R1.49 C=CC(=O)Cc1ccc(cc1)C 1458a_100000185746_100000210814 [0,1,0,0,0,1|2,0,0]=4 703 B12R1.49 C=CC(=O)Cc1ccc(cc1)Cl 1458a_100000185746_100000694040 [0,1,0,0,0,1|2,0,0]=4 704 B12R1.49 C=CC(=O)Cc1ccc(cc1)F 1458a_100000185746_100000198546 [0,1,0,0,0,1|2,0,0]=4 705 B12R1.49 C=CC(=O)Cc1ccc(cc1)I 1458a_100000185746_100000189116 [0,1,0,0,0,1|2,0,0]=4 706 B12R1.49 C=CC(=O)Nc1ccc(cc1)Br 1626a_100000210018_100000185746 [0,1,0,0,0,1|2,0,0]=4 707 B12R1.49 C=CC(=O)Nc1ccc(cc1)Br 22a_100000210018_100000185746 [0,1,0,0,0,1|2,0,0]=4 708 B12R1.49 C=CC(=O)Nc1ccc(cc1)C 1626a_100000124888_100000185746 [0,1,0,0,0,1|2,0,0]=4 709 B12R1.49 C=CC(=O)Nc1ccc(cc1)C 22a_100000124888_100000185746 [0,1,0,0,0,1|2,0,0]=4 710 B12R1.49 C=CC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100000185746 [0,1,0,0,0,1|2,0,0]=4 711 B12R1.49 C=CC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000185746 [0,1,0,0,0,1|2,0,0]=4 712 B12R1.49 C=CC(=O)Nc1ccc(cc1)F 1626a_100000185862_100000185746 [0,1,0,0,0,1|2,0,0]=4 713 B12R1.49 C=CC(=O)Nc1ccc(cc1)F 22a_100000185862_100000185746 [0,1,0,0,0,1|2,0,0]=4 714 B12R1.49 C=CC(=O)Nc1ccc(cc1)I 1626a_100000185761_100000185746 [0,1,0,0,0,1|2,0,0]=4 715 B12R1.49 C=CC(=O)Nc1ccc(cc1)I 22a_100000185761_100000185746 [0,1,0,0,0,1|2,0,0]=4 716 B12R1.49 C=CC(=O)Nc1ccc(cc1)O 22a_100000185829_100000185746 [0,1,0,0,0,1|2,0,0]=4 717 B12R1.50 C=CC(=O)Cc1cccc(c1)Br 1458a_100000185746_100000211773 [0,1,0,0,0,1|2,0,0]=4 718 B12R1.50 C=CC(=O)Cc1cccc(c1)C 1458a_100000185746_100000211840 [0,1,0,0,0,1|2,0,0]=4 719 B12R1.50 C=CC(=O)Cc1cccc(c1)Cl 1458a_100000185746_100000181238 [0,1,0,0,0,1|2,0,0]=4 720 B12R1.50 C=CC(=O)Cc1cccc(c1)F 1458a_100000185746_100000230114 [0,1,0,0,0,1|2,0,0]=4 721 B12R1.50 C=CC(=O)Cc1cccc(c1)I 1458a_100000185746_100011218688 [0,1,0,0,0,1|2,0,0]=4 722 B12R1.50 C=CC(=O)Cc1cccc(c1)O 1458a_100000185746_100011660834 [0,1,0,0,0,1|2,0,0]=4 723 B12R1.50 C=CC(=O)Nc1cccc(c1)Br 1626a_100000210019_100000185746 [0,1,0,0,0,1|2,0,0]=4 724 B12R1.50 C=CC(=O)Nc1cccc(c1)Br 22a_100000210019_100000185746 [0,1,0,0,0,1|2,0,0]=4 725 B12R1.50 C=CC(=O)Nc1cccc(c1)C 1626a_100000188690_100000185746 [0,1,0,0,0,1|2,0,0]=4 726 B12R1.50 C=CC(=O)Nc1cccc(c1)C 22a_100000188690_100000185746 [0,1,0,0,0,1|2,0,0]=4 727 B12R1.50 C=CC(=O)Nc1cccc(c1)Cl 1626a_100000185859_100000185746 [0,1,0,0,0,1|2,0,0]=4 728 B12R1.50 C=CC(=O)Nc1cccc(c1)Cl 22a_100000185859_100000185746 [0,1,0,0,0,1|2,0,0]=4 729 B12R1.50 C=CC(=O)Nc1cccc(c1)F 1626a_100000210047_100000185746 [0,1,0,0,0,1|2,0,0]=4 730 B12R1.50 C=CC(=O)Nc1cccc(c1)F 22a_100000210047_100000185746 [0,1,0,0,0,1|2,0,0]=4 731 B12R1.50 C=CC(=O)Nc1cccc(c1)I 1626a_100000211102_100000185746 [0,1,0,0,0,1|2,0,0]=4 732 B12R1.50 C=CC(=O)Nc1cccc(c1)I 22a_100000211102_100000185746 [0,1,0,0,0,1|2,0,0]=4 733 B12R1.50 C=CC(=O)Nc1cccc(c1)O 1626a_100000210217_100000185746 [0,1,0,0,0,1|2,0,0]=4 734 B12R1.50 C=CC(=O)Nc1cccc(c1)O 22a_100000210217_100000185746 [0,1,0,0,0,1|2,0,0]=4 735 B12R1.118 O=CC(C=O)Nc1ccccc1 34a_100000106764_100000736813 [0,1,0,0,0,1|0,0,1]=3 736 B12R1.118 O=CC(C=O)Oc1ccccc1 34a_100000210340_100000736813 [0,1,0,0,0,1|0,0,1]=3 737 B12R1.118 O=CC(C=O)Oc1cccnc1 34a_100000210849_100000736813 [0,1,0,0,0,1|1,0,1]=4 738 B12R1.118 O=CC(C=O)Oc1ccncc1 34a_100000212176_100000736813 [0,1,0,0,0,1|1,0,1]=4 739 B12R1.118 O=CC(C=O)Sc1ccccc1 62a_100000719477_100000736813 [0,1,0,0,0,1|0,0,1]=3 740 B12R1.118 O=CC(C=O)Sc1ccccc1 62a_100000736813_100000041952 [0,1,0,0,0,1|0,0,1]=3 741 B12R1.118 O=CC(C=O)Sc1ccccn1 62a_100000736813_100011216584 [0,1,0,0,0,1|1,0,1]=4 742 B12R1.118 O=CC(C=O)Sc1ccccn1 62a_100011216584_100000736813 [0,1,0,0,0,1|1,0,1]=4 743 B12R1.118 O=CC(C=O)Sc1cccnc1 62a_100000210063_100000736813 [0,1,0,0,0,1|1,0,1]=4 744 B12R1.118 O=CC(C=O)Sc1cccnc1 62a_100000736813_100000210063 [0,1,0,0,0,1|1,0,1]=4 745 B12R1.118 O=CC(C=O)Sc1ccncc1 62a_100000728582_100000736813 [0,1,0,0,0,1|1,0,1]=4 746 B12R1.118 O=CC(C=O)Sc1ccncc1 62a_100000736813_100000728582 [0,1,0,0,0,1|1,0,1]=4 747 B12R1.371 C=CC(=O)Cc1ccccc1Br 1458a_100000185746_100000184730 [0,1,0,0,0,1|2,0,0]=4 748 B12R1.371 C=CC(=O)Cc1ccccc1C 1458a_100000185746_100000211839 [0,1,0,0,0,1|2,0,0]=4 749 B12R1.371 C=CC(=O)Cc1ccccc1Cl 1458a_100000185746_100000187162 [0,1,0,0,0,1|2,0,0]=4 750 B12R1.371 C=CC(=O)Cc1ccccc1F 1458a_100000185746_100000187165 [0,1,0,0,0,1|2,0,0]=4 751 B12R1.371 C=CC(=O)Cc1ccccc1I 1458a_100000185746_100011216222 [0,1,0,0,0,1|2,0,0]=4 752 B12R1.371 C=CC(=O)Nc1ccccc1Br 1626a_100000210017_100000185746 [0,1,0,0,0,1|2,0,0]=4 753 B12R1.371 C=CC(=O)Nc1ccccc1C 1626a_100015192222_100000185746 [0,1,0,0,0,1|2,0,0]=4 754 B12R1.371 C=CC(=O)Nc1ccccc1C 22a_100015192222_100000185746 [0,1,0,0,0,1|2,0,0]=4 755 B12R1.371 C=CC(=O)Nc1ccccc1Cl 1626a_100000185783_100000185746 [0,1,0,0,0,1|2,0,0]=4 756 B12R1.371 C=CC(=O)Nc1ccccc1Cl 22a_100000185783_100000185746 [0,1,0,0,0,1|2,0,0]=4 757 B12R1.371 C=CC(=O)Nc1ccccc1F 1626a_100000210422_100000185746 [0,1,0,0,0,1|2,0,0]=4 758 B12R1.371 C=CC(=O)Nc1ccccc1F 22a_100000210422_100000185746 [0,1,0,0,0,1|2,0,0]=4 759 B12R1.371 C=CC(=O)Nc1ccccc1I 1626a_100000210053_100000185746 [0,1,0,0,0,1|2,0,0]=4 760 B12R1.371 C=CC(=O)Nc1ccccc1O 22a_100000185747_100000185746 [0,1,0,0,0,1|2,0,0]=4 761 B12R1.9 CC(C)(C=O)c1ccc(cc1)O 271570a_203496583355_100010228009 [0,2,0,0,0,0|0,0,2]=4 762 B12R1.253 CC(=O)C(C)(C)c1ccccc1 1458a_100000070787_100000034625 [0,2,0,0,0,0|0,0,2]=4 763 B12R1.253 CC(=O)C(C)(C)c1ccccc1 1458a_100000211857_200000210301 [0,2,0,0,0,0|0,0,2]=4 764 B12R1.253 CC(=O)C(F)(F)c1ccccc1 1458a_100000070787_100000036403 [0,2,0,0,0,0|1,0,1]=4 765 B12R1.253 CC(=O)[C@](C)(O)c1ccccc1 1458a_100000753667_200000210301 [0,2,0,0,0,0|0,0,2]=4 766 B12R1.253 CC(C)(C(=O)[13CH3])c1ccccc1 1458a_100000211857_200025704644 [0,2,0,0,0,0|0,0,2]=4 767 B12R1.253 C[C@](O)(C(=O)[13CH3])c1ccccc1 1458a_100000753667_200025704644 [0,2,0,0,0,0|0,0,2]=4 768 B12R1.3 CCN(CC=O)c1ccccc1 2230a_100000210013_200015260668 [0,2,0,0,0,0|1,0,1]=4 769 B12R1.3 CCN(CC=O)c1ccccc1 269982a_100000210013_200015260668 [0,2,0,0,0,0|1,0,1]=4 770 B12R1.3 CCN(CC=O)c1ccccc1 34a_100000210013_200009817547 [0,2,0,0,0,0|1,0,1]=4 771 B12R1.478 CC(=O)C(CO)c1ccccc1 1458a_100011218805_200000210301 [0,2,0,0,0,0|0,0,2]=4 772 B12R1.478 CC(=O)C(S[13CH3])c1ccccc1 62a_100009888967_200025704644 [0,2,0,0,0,0|0,0,2]=4 773 B12R1.478 CC(=O)C(S[13CH3])c1ccccc1 62a_200025704644_100009888967 [0,2,0,0,0,0|0,0,2]=4 774 B12R1.478 CCC(C(=O)C)c1ccccc1 1458a_100000211302_200000210301 [0,2,0,0,0,0|0,0,2]=4 775 B12R1.478 CCC(C(=O)[13CH3])c1ccccc1 1458a_100000211302_200025704644 [0,2,0,0,0,0|0,0,2]=4 776 B12R1.478 CCN(C(=O)C)c1ccccc1 11a_100000210013_100015343762 [0,2,0,0,0,0|1,0,1]=4 777 B12R1.478 CCN(C(=O)C)c1ccccc1 1626a_100000210013_100015343762 [0,2,0,0,0,0|1,0,1]=4 778 B12R1.478 CCN(C(=O)C)c1ccccc1 22a_100000210013_100000070787 [0,2,0,0,0,0|1,0,1]=4 779 B12R1.478 CNC(C(=O)C)c1ccccc1 2230a_106832991635_100009888967 [0,2,0,0,0,0|0,0,2]=4 780 B12R1.478 CNC(C(=O)C)c1ccccc1 7a_106832991635_100009888967 [0,2,0,0,0,0|0,0,2]=4 781 B12R1.478 CNC(C(=O)N)c1ccccc1 2230a_106832991635_100000188848 [0,2,0,0,0,0|0,0,2]=4 782 B12R1.478 CNC(C(=O)N)c1ccccc1 7a_106832991635_100000188848 [0,2,0,0,0,0|0,0,2]=4 783 B12R1.478 CNC(C(=O)O)c1ccccc1 269956a_100000230147_200000210301 [0,2,0,0,0,0|0,0,2]=4 784 B12R1.478 CN[C@@H](C(=O)N)c1ccccc1 2230a_100011423151_200000210301 [0,2,0,0,0,0|0,0,2]=4 785 B12R1.478 COC(C(=O)N)c1ccccc1 34a_100011200849_200000210301 [0,2,0,0,0,0|0,0,2]=4 786 B12R1.478 COC(C(=O)N)c1ccccc1 7a_100011200849_200000210301 [0,2,0,0,0,0|0,0,2]=4 787 B12R1.478 CO[C@@H](C(=O)C)c1ccccc1 1458a_100000698336_200000210301 [0,2,0,0,0,0|0,0,2]=4 788 B12R1.478 CO[C@@H](C(=O)[13CH3])c1ccccc1 1458a_100000698336_200025704644 [0,2,0,0,0,0|0,0,2]=4 789 B12R1.478 CSC(C(=O)C)c1ccccc1 62a_100009888967_200000210301 [0,2,0,0,0,0|0,0,2]=4 790 B12R1.478 CSC(C(=O)C)c1ccccc1 62a_200000210301_100009888967 [0,2,0,0,0,0|0,0,2]=4 791 B12R1.478 CSC(C(=O)N)c1ccccc1 62a_100000188848_200000210301 [0,2,0,0,0,0|0,0,2]=4 792 B12R1.478 CSC(C(=O)N)c1ccccc1 62a_200000210301_100000188848 [0,2,0,0,0,0|0,0,2]=4 793 B12R1.478 [13CH3]C(=O)C(CO)c1ccccc1 1458a_100011218805_200025704644 [0,2,0,0,0,0|0,0,2]=4 794 B12R1.478 [13CH3]NC(C(=O)O)c1ccccc1 269956a_100000230147_200025704644 [0,2,0,0,0,0|0,0,2]=4 795 B12R1.478 [13CH3]N[C@@H](C(=O)N)c1ccccc1 2230a_100011423151_200025704644 [0,2,0,0,0,0|0,0,2]=4 796 B12R1.478 [13CH3]OC(C(=O)N)c1ccccc1 34a_100011200849_200025704644 [0,2,0,0,0,0|0,0,2]=4 797 B12R1.478 [13CH3]OC(C(=O)N)c1ccccc1 7a_100011200849_200025704644 [0,2,0,0,0,0|0,0,2]=4 798 B12R1.478 [13CH3]SC(C(=O)N)c1ccccc1 62a_100000188848_200025704644 [0,2,0,0,0,0|0,0,2]=4 799 B12R1.478 [13CH3]SC(C(=O)N)c1ccccc1 62a_200025704644_100000188848 [0,2,0,0,0,0|0,0,2]=4 800 B12R1.16 C=CCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000210623 [0,2,0,0,0,0|2,0,0]=4 801 B12R1.16 C=CCC(=O)c1ccc(cc1)C 1458a_100000188618_100000210623 [0,2,0,0,0,0|2,0,0]=4 802 B12R1.16 C=CCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000210623 [0,2,0,0,0,0|2,0,0]=4 803 B12R1.16 C=CCC(=O)c1ccc(cc1)F 1458a_100000187176_100000210623 [0,2,0,0,0,0|2,0,0]=4 804 B12R1.16 C=CCC(=O)c1ccc(cc1)I 1458a_100000187904_100000210623 [0,2,0,0,0,0|2,0,0]=4 805 B12R1.16 C=CCC(=O)c1ccc(cc1)O 1458a_100000212099_100000210623 [0,2,0,0,0,0|2,0,0]=4 806 B12R1.16 CN(CC=O)c1ccc(cc1)Br 2230a_100000219623_200015260668 [0,2,0,0,0,0|1,0,1]=4 807 B12R1.16 CN(CC=O)c1ccc(cc1)Br 269982a_100000219623_200015260668 [0,2,0,0,0,0|1,0,1]=4 808 B12R1.16 CN(CC=O)c1ccc(cc1)Br 34a_100000219623_200009817547 [0,2,0,0,0,0|1,0,1]=4 809 B12R1.16 CN(CC=O)c1ccc(cc1)Cl 2230a_100020629279_200015260668 [0,2,0,0,0,0|1,0,1]=4 810 B12R1.16 CN(CC=O)c1ccc(cc1)Cl 269982a_100020629279_200015260668 [0,2,0,0,0,0|1,0,1]=4 811 B12R1.16 CN(CC=O)c1ccc(cc1)Cl 34a_100020629279_200009817547 [0,2,0,0,0,0|1,0,1]=4 812 B12R1.16 CN(CC=O)c1ccc(cc1)F 2230a_100000219829_200015260668 [0,2,0,0,0,0|1,0,1]=4 813 B12R1.16 CN(CC=O)c1ccc(cc1)F 269982a_100000219829_200015260668 [0,2,0,0,0,0|1,0,1]=4 814 B12R1.16 CN(CC=O)c1ccc(cc1)F 34a_100000219829_200009817547 [0,2,0,0,0,0|1,0,1]=4 815 B12R1.16 CN(CC=O)c1ccc(cc1)I 2230a_100000743151_200015260668 [0,2,0,0,0,0|1,0,1]=4 816 B12R1.16 CN(CC=O)c1ccc(cc1)I 269982a_100000743151_200015260668 [0,2,0,0,0,0|1,0,1]=4 817 B12R1.16 CN(CC=O)c1ccc(cc1)I 34a_100000743151_200009817547 [0,2,0,0,0,0|1,0,1]=4 818 B12R1.16 CN(CC=O)c1ccc(cc1)O 269982a_100000182112_200015260668 [0,2,0,0,0,0|1,0,1]=4 819 B12R1.16 CN(CC=O)c1ccc(cc1)O 34a_100000182112_200009817547 [0,2,0,0,0,0|1,0,1]=4 820 B12R1.16 Cc1ccc(cc1)N(C)CC=O 2230a_100000219977_200015260668 [0,2,0,0,0,0|1,0,1]=4 821 B12R1.16 Cc1ccc(cc1)N(C)CC=O 269982a_100000219977_200015260668 [0,2,0,0,0,0|1,0,1]=4 822 B12R1.16 Cc1ccc(cc1)N(C)CC=O 34a_100000219977_200009817547 [0,2,0,0,0,0|1,0,1]=4 823 B12R1.17 C=CCC(=O)c1cccc(c1)Br 1458a_100000210664_100000210623 [0,2,0,0,0,0|2,0,0]=4 824 B12R1.17 C=CCC(=O)c1cccc(c1)C 1458a_100000189346_100000210623 [0,2,0,0,0,0|2,0,0]=4 825 B12R1.17 C=CCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000210623 [0,2,0,0,0,0|2,0,0]=4 826 B12R1.17 C=CCC(=O)c1cccc(c1)F 1458a_100000210950_100000210623 [0,2,0,0,0,0|2,0,0]=4 827 B12R1.17 C=CCC(=O)c1cccc(c1)I 1458a_100000184098_100000210623 [0,2,0,0,0,0|2,0,0]=4 828 B12R1.17 C=CCC(=O)c1cccc(c1)O 1458a_100000183914_100000210623 [0,2,0,0,0,0|2,0,0]=4 829 B12R1.17 CN(CC=O)c1cccc(c1)Br 2230a_100000219648_200015260668 [0,2,0,0,0,0|1,0,1]=4 830 B12R1.17 CN(CC=O)c1cccc(c1)Br 269982a_100000219648_200015260668 [0,2,0,0,0,0|1,0,1]=4 831 B12R1.17 CN(CC=O)c1cccc(c1)Br 34a_100000219648_200009817547 [0,2,0,0,0,0|1,0,1]=4 832 B12R1.17 CN(CC=O)c1cccc(c1)Cl 2230a_100000220044_200015260668 [0,2,0,0,0,0|1,0,1]=4 833 B12R1.17 CN(CC=O)c1cccc(c1)Cl 269982a_100000220044_200015260668 [0,2,0,0,0,0|1,0,1]=4 834 B12R1.17 CN(CC=O)c1cccc(c1)Cl 34a_100000220044_200009817547 [0,2,0,0,0,0|1,0,1]=4 835 B12R1.17 CN(CC=O)c1cccc(c1)F 2230a_100020633736_200015260668 [0,2,0,0,0,0|1,0,1]=4 836 B12R1.17 CN(CC=O)c1cccc(c1)F 269982a_100020633736_200015260668 [0,2,0,0,0,0|1,0,1]=4 837 B12R1.17 CN(CC=O)c1cccc(c1)F 34a_100020633736_200009817547 [0,2,0,0,0,0|1,0,1]=4 838 B12R1.17 CN(CC=O)c1cccc(c1)I 2230a_100000221217_200015260668 [0,2,0,0,0,0|1,0,1]=4 839 B12R1.17 CN(CC=O)c1cccc(c1)I 269982a_100000221217_200015260668 [0,2,0,0,0,0|1,0,1]=4 840 B12R1.17 CN(CC=O)c1cccc(c1)I 34a_100000221217_200009817547 [0,2,0,0,0,0|1,0,1]=4 841 B12R1.17 CN(CC=O)c1cccc(c1)O 2230a_100000756613_200015260668 [0,2,0,0,0,0|1,0,1]=4 842 B12R1.17 CN(CC=O)c1cccc(c1)O 269982a_100000756613_200015260668 [0,2,0,0,0,0|1,0,1]=4 843 B12R1.17 CN(CC=O)c1cccc(c1)O 34a_100000756613_200009817547 [0,2,0,0,0,0|1,0,1]=4 844 B12R1.17 Cc1cccc(c1)N(C)CC=O 2230a_100000219674_200015260668 [0,2,0,0,0,0|1,0,1]=4 845 B12R1.17 Cc1cccc(c1)N(C)CC=O 269982a_100000219674_200015260668 [0,2,0,0,0,0|1,0,1]=4 846 B12R1.17 Cc1cccc(c1)N(C)CC=O 34a_100000219674_200009817547 [0,2,0,0,0,0|1,0,1]=4 847 B12R1.30 C/C=C/CC(=O)c1ccccc1 1458a_100000185807_100102629194 [0,2,0,0,0,0|2,0,0]=4 848 B12R1.30 C=CCCC(=O)c1ccccc1 1458a_100000185807_100000754431 [0,2,0,0,0,0|2,0,0]=4 849 B12R1.30 C=CCNC(=O)c1ccccc1 1626a_100020586998_100000185807 [0,2,0,0,0,0|2,0,0]=4 850 B12R1.30 C=CCNC(=O)c1ccccc1 240690a_100020586998_100000185807 [0,2,0,0,0,0|2,0,0]=4 851 B12R1.30 C=CCNC(=O)c1ccccc1 527a_100020586998_100000185807 [0,2,0,0,0,0|2,0,0]=4 852 B12R1.30 CC(SCC=O)c1ccccc1 62a_100000230085_200015260668 [0,2,0,0,0,0|0,0,2]=4 853 B12R1.30 CC(SCC=O)c1ccccc1 62a_200015260668_100000230085 [0,2,0,0,0,0|0,0,2]=4 854 B12R1.30 CC=CCC(=O)c1ccccc1 1458a_100000185807_100000070051 [0,2,0,0,0,0|2,0,0]=4 855 B12R1.30 CC=NNC(=O)c1ccccc1 4a_100000184135_200000210099 [0,2,0,0,0,0|2,0,0]=4 856 B12R1.30 C[C@@H](NCC=O)c1ccccc1 2230a_100000751104_200015260668 [0,2,0,0,0,0|0,0,2]=4 857 B12R1.30 C[C@@H](OCC=O)c1ccccc1 34a_100000761318_200009817547 [0,2,0,0,0,0|0,0,2]=4 858 B12R1.30 C[C@@H](OCC=O)c1ccccc1 7a_100000761318_200015260668 [0,2,0,0,0,0|0,0,2]=4 859 B12R1.107 C=C(C)CC(=O)c1ccccc1 1458a_100000185807_100000748629 [0,2,0,0,0,0|2,0,0]=4 860 B12R1.107 C=C(F)CC(=O)c1ccccc1 1458a_100000185807_100009893438 [0,2,0,0,0,0|2,0,0]=4 861 B12R1.107 CC(=CC(=O)[13CH3])c1ccccc1 1458a_100000743005_200025704644 [0,2,0,0,0,0|0,0,1]=3 862 B12R1.107 CC(=O)C=C(C)c1ccccc1 1458a_100000743005_200000210301 [0,2,0,0,0,0|0,0,1]=3 863 B12R1.107 CC(=O)CC(=O)c1ccccc1 1458a_100000070787_100000211460 [0,2,0,0,0,0|1,0,0]=3 864 B12R1.107 CC(=O)CC(=O)c1ccccn1 1458a_100000070787_100000027445 [0,2,0,0,0,0|2,0,0]=4 865 B12R1.107 CC(=O)CC(=O)c1cccnc1 1458a_100000070787_100015188593 [0,2,0,0,0,0|2,0,0]=4 866 B12R1.107 CC(=O)CC(=O)c1ccncc1 1458a_100000070787_100000027454 [0,2,0,0,0,0|2,0,0]=4 867 B12R1.107 CC(=O)CC(C)c1ccccc1 1458a_100000070787_100000756946 [0,2,0,0,0,0|0,0,2]=4 868 B12R1.107 CC(=O)CC(C)c1ccccc1 1458a_100000183687_200000210301 [0,2,0,0,0,0|0,0,2]=4 869 B12R1.107 CC(=O)CC(O)c1ccccc1 1458a_100000070787_100000185958 [0,2,0,0,0,0|1,0,1]=4 870 B12R1.107 CC(=O)CC(O)c1ccccc1 1458a_100000690199_200000210301 [0,2,0,0,0,0|1,0,1]=4 871 B12R1.107 CC(=O)CN(C)c1ccccc1 1458a_100000745425_200000210301 [0,2,0,0,0,0|1,0,1]=4 872 B12R1.107 CC(=O)C[C@@H](O)c1ccccc1 1458a_100000070787_100011933945 [0,2,0,0,0,0|1,0,1]=4 873 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 11a_100000751104_100015343762 [0,2,0,0,0,0|0,0,2]=4 874 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 1626a_100000751104_100015343762 [0,2,0,0,0,0|0,0,2]=4 875 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 240690a_100000751104_100015343762 [0,2,0,0,0,0|0,0,2]=4 876 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 527a_100000751104_100103153847 [0,2,0,0,0,0|0,0,2]=4 877 B12R1.107 CC(CC(=O)[13CH3])c1ccccc1 1458a_100000183687_200025704644 [0,2,0,0,0,0|0,0,2]=4 878 B12R1.107 CN(CC(=O)N)c1ccccc1 2230a_100000210012_100000747473 [0,2,0,0,0,0|1,0,1]=4 879 B12R1.107 CN(CC(=O)N)c1ccccc1 2230a_100000212578_200000210301 [0,2,0,0,0,0|1,0,1]=4 880 B12R1.107 CN(CC(=O)N)c1ccccc1 269982a_100000210012_100000187820 [0,2,0,0,0,0|1,0,1]=4 881 B12R1.107 CN(CC(=O)N)c1ccccc1 269982a_100000212578_200000210301 [0,2,0,0,0,0|1,0,1]=4 882 B12R1.107 CN(CC(=O)N)c1ccccc1 34a_100000210012_100000187820 [0,2,0,0,0,0|1,0,1]=4 883 B12R1.107 CN(CC(=O)O)c1ccccc1 269956a_100000212060_200000210301 [0,2,0,0,0,0|1,0,1]=4 884 B12R1.107 CN(CC(=O)[13CH3])c1ccccc1 1458a_100000745425_200025704644 [0,2,0,0,0,0|1,0,1]=4 885 B12R1.107 CN(CC(=O)[O-])c1ccccc1 269982a_100000210012_100020667443 [0,2,0,0,0,0|1,0,1]=4 886 B12R1.107 CN(CC(=O)[O-])c1ccccc1 34a_100000210012_100020667443 [0,2,0,0,0,0|1,0,1]=4 887 B12R1.107 NC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000187820 [0,2,0,0,0,0|1,0,0]=3 888 B12R1.107 O=C(C[N+](=O)[O-])c1ccccc1 1458a_100000185807_100000761209 [0,2,0,0,0,0|1,0,1]=4 889 B12R1.107 O=C([O-])CC(=O)c1ccccc1 1458a_100000185807_100020667443 [0,2,0,0,0,0|1,0,0]=3 890 B12R1.107 [13CH3]C(=O)CC(O)c1ccccc1 1458a_100000690199_200025704644 [0,2,0,0,0,0|1,0,1]=4 891 B12R1.107 [13CH3]N(CC(=O)N)c1ccccc1 2230a_100000212578_200025704644 [0,2,0,0,0,0|1,0,1]=4 892 B12R1.107 [13CH3]N(CC(=O)N)c1ccccc1 269982a_100000212578_200025704644 [0,2,0,0,0,0|1,0,1]=4 893 B12R1.107 [13CH3]N(CC(=O)O)c1ccccc1 269956a_100000212060_200025704644 [0,2,0,0,0,0|1,0,1]=4 894 B12R1.308 C=CCC(=O)c1ccccc1Br 1458a_100000188424_100000210623 [0,2,0,0,0,0|2,0,0]=4 895 B12R1.308 C=CCC(=O)c1ccccc1C 1458a_100000212026_100000210623 [0,2,0,0,0,0|2,0,0]=4 896 B12R1.308 C=CCC(=O)c1ccccc1Cl 1458a_100000185844_100000210623 [0,2,0,0,0,0|2,0,0]=4 897 B12R1.308 C=CCC(=O)c1ccccc1F 1458a_100000188656_100000210623 [0,2,0,0,0,0|2,0,0]=4 898 B12R1.308 C=CCC(=O)c1ccccc1I 1458a_100000187884_100000210623 [0,2,0,0,0,0|2,0,0]=4 899 B12R1.308 C=CCC(=O)c1ccccc1O 1458a_100015234032_100000210623 [0,2,0,0,0,0|2,0,0]=4 900 B12R1.308 C=CCC(=O)c1ccccc1[O-] 1458a_100009911694_100000210623 [0,2,0,0,0,0|2,0,0]=4 901 B12R1.308 CN(CC=O)c1ccccc1Br 2230a_100020606079_200015260668 [0,2,0,0,0,0|1,0,1]=4 902 B12R1.308 CN(CC=O)c1ccccc1Br 269982a_100020606079_200015260668 [0,2,0,0,0,0|1,0,1]=4 903 B12R1.308 CN(CC=O)c1ccccc1Br 34a_100020606079_200009817547 [0,2,0,0,0,0|1,0,1]=4 904 B12R1.308 CN(CC=O)c1ccccc1Cl 2230a_100000219374_200015260668 [0,2,0,0,0,0|1,0,1]=4 905 B12R1.308 CN(CC=O)c1ccccc1Cl 269982a_100000219374_200015260668 [0,2,0,0,0,0|1,0,1]=4 906 B12R1.308 CN(CC=O)c1ccccc1Cl 34a_100000219374_200009817547 [0,2,0,0,0,0|1,0,1]=4 907 B12R1.308 CN(CC=O)c1ccccc1F 2230a_100000220357_200015260668 [0,2,0,0,0,0|1,0,1]=4 908 B12R1.308 CN(CC=O)c1ccccc1F 269982a_100000220357_200015260668 [0,2,0,0,0,0|1,0,1]=4 909 B12R1.308 CN(CC=O)c1ccccc1F 34a_100000220357_200009817547 [0,2,0,0,0,0|1,0,1]=4 910 B12R1.308 CN(CC=O)c1ccccc1O 269982a_100000033821_200015260668 [0,2,0,0,0,0|1,0,1]=4 911 B12R1.308 Cc1ccccc1N(C)CC=O 2230a_100000219699_200015260668 [0,2,0,0,0,0|1,0,1]=4 912 B12R1.308 Cc1ccccc1N(C)CC=O 269982a_100000219699_200015260668 [0,2,0,0,0,0|1,0,1]=4 913 B12R1.308 Cc1ccccc1N(C)CC=O 34a_100000219699_200009817547 [0,2,0,0,0,0|1,0,1]=4 914 B12R1.5 C=Cc1ccc(cc1)C(=O)C=O 271570a_100011290941_100000725942 [0,2,0,0,0,0|1,0,0]=3 915 B12R1.5 CSc1ccc(cc1)C(=O)C=O 62a_100000725942_200000210301 [0,2,0,0,0,0|1,0,0]=3 916 B12R1.5 CSc1ccc(cc1)C(=O)C=O 62a_200000210301_100000725942 [0,2,0,0,0,0|1,0,0]=3 917 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)C=O 62a_100000725942_200025704644 [0,2,0,0,0,0|1,0,0]=3 918 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)C=O 62a_200025704644_100000725942 [0,2,0,0,0,0|1,0,0]=3 919 B12R1.20 CC(=C(C)c1ccc(cc1)Br)C 271570a_200000049429_100000752885 [0,2,0,0,0,0|1,0,1]=4 920 B12R1.20 CC(=C(C)c1ccc(cc1)C)C 271570a_200000049429_100000186775 [0,2,0,0,0,0|1,0,1]=4 921 B12R1.20 CC(=C(C)c1ccc(cc1)Cl)C 271570a_200000049429_100000755918 [0,2,0,0,0,0|1,0,1]=4 922 B12R1.20 CC(=C(C)c1ccc(cc1)F)C 271570a_200000049429_100000211213 [0,2,0,0,0,0|1,0,1]=4 923 B12R1.20 CC(=C(C)c1ccc(cc1)N)C 271570a_200000049429_100000185761 [0,2,0,0,0,0|1,0,1]=4 924 B12R1.20 CC(=C(C)c1ccc(cc1)O)C 271570a_200000049429_100000185759 [0,2,0,0,0,0|1,0,1]=4 925 B12R1.20 CC(=O)C(C)c1ccc(cc1)Br 1458a_100000070787_100000755118 [0,2,0,0,0,0|0,0,2]=4 926 B12R1.20 CC(=O)C(C)c1ccc(cc1)C 1458a_100000070787_100011261388 [0,2,0,0,0,0|0,0,2]=4 927 B12R1.20 CC(=O)C(C)c1ccc(cc1)C 1458a_100000751627_200000210301 [0,2,0,0,0,0|0,0,2]=4 928 B12R1.20 CC(=O)C(C)c1ccc(cc1)Cl 1458a_100000070787_100000684792 [0,2,0,0,0,0|0,0,2]=4 929 B12R1.20 CC(=O)C(C)c1ccc(cc1)Cl 1458a_100011216001_200000210301 [0,2,0,0,0,0|0,0,2]=4 930 B12R1.20 CC(=O)C(C)c1ccc(cc1)F 1458a_100000070787_100000743420 [0,2,0,0,0,0|0,0,2]=4 931 B12R1.20 CC(=O)C(C)c1ccc(cc1)F 1458a_100011435297_200000210301 [0,2,0,0,0,0|0,0,2]=4 932 B12R1.20 CC(=O)C(C)c1ccc(cc1)O 1458a_100000031422_200000210301 [0,2,0,0,0,0|0,0,2]=4 933 B12R1.20 CC(=O)C(F)c1ccc(cc1)Cl 1458a_100012277543_200000210301 [0,2,0,0,0,0|1,0,1]=4 934 B12R1.20 CC(=O)C(O)c1ccc(cc1)Br 1458a_100000756554_200000210301 [0,2,0,0,0,0|1,0,1]=4 935 B12R1.20 CC(=O)C(O)c1ccc(cc1)F 1458a_100000209909_200000210301 [0,2,0,0,0,0|1,0,1]=4 936 B12R1.20 CC(=O)C(O)c1ccc(cc1)O 1458a_100011215213_200000210301 [0,2,0,0,0,0|1,0,1]=4 937 B12R1.20 CC(=O)N(C)c1ccc(cc1)Br 11a_100000219623_100015343762 [0,2,0,0,0,0|1,0,1]=4 938 B12R1.20 CC(=O)N(C)c1ccc(cc1)Br 1626a_100000219623_100015343762 [0,2,0,0,0,0|1,0,1]=4 939 B12R1.20 CC(=O)N(C)c1ccc(cc1)Br 22a_100000219623_100000070787 [0,2,0,0,0,0|1,0,1]=4 940 B12R1.20 CC(=O)N(C)c1ccc(cc1)C 11a_100000219977_100015343762 [0,2,0,0,0,0|1,0,1]=4 941 B12R1.20 CC(=O)N(C)c1ccc(cc1)C 1626a_100000219977_100015343762 [0,2,0,0,0,0|1,0,1]=4 942 B12R1.20 CC(=O)N(C)c1ccc(cc1)C 22a_100000219977_100000070787 [0,2,0,0,0,0|1,0,1]=4 943 B12R1.20 CC(=O)N(C)c1ccc(cc1)Cl 11a_100020629279_100015343762 [0,2,0,0,0,0|1,0,1]=4 944 B12R1.20 CC(=O)N(C)c1ccc(cc1)Cl 1626a_100020629279_100015343762 [0,2,0,0,0,0|1,0,1]=4 945 B12R1.20 CC(=O)N(C)c1ccc(cc1)Cl 22a_100020629279_100000070787 [0,2,0,0,0,0|1,0,1]=4 946 B12R1.20 CC(=O)N(C)c1ccc(cc1)F 11a_100000219829_100015343762 [0,2,0,0,0,0|1,0,1]=4 947 B12R1.20 CC(=O)N(C)c1ccc(cc1)F 1626a_100000219829_100015343762 [0,2,0,0,0,0|1,0,1]=4 948 B12R1.20 CC(=O)N(C)c1ccc(cc1)F 22a_100000219829_100000070787 [0,2,0,0,0,0|1,0,1]=4 949 B12R1.20 CC(=O)N(C)c1ccc(cc1)I 11a_100000743151_100015343762 [0,2,0,0,0,0|1,0,1]=4 950 B12R1.20 CC(=O)N(C)c1ccc(cc1)I 1626a_100000743151_100015343762 [0,2,0,0,0,0|1,0,1]=4 951 B12R1.20 CC(=O)N(C)c1ccc(cc1)I 22a_100000743151_100000070787 [0,2,0,0,0,0|1,0,1]=4 952 B12R1.20 CC(=O)N(C)c1ccc(cc1)O 22a_100000182112_100000070787 [0,2,0,0,0,0|1,0,1]=4 953 B12R1.20 CC(=O)N(C)c1ccc(cc1)O 271570a_203496583355_200009816415 [0,2,0,0,0,0|1,0,1]=4 954 B12R1.20 CC(=O)N(C)c1ccc(cc1)O 527a_100000182112_100103153847 [0,2,0,0,0,0|1,0,1]=4 955 B12R1.20 CC(=O)[C@H](O)c1ccc(cc1)C 1458a_100009815954_200000210301 [0,2,0,0,0,0|1,0,1]=4 956 B12R1.20 CC(=O)[C@H](O)c1ccc(cc1)Cl 1458a_100009817493_200000210301 [0,2,0,0,0,0|1,0,1]=4 957 B12R1.20 CC(C(=O)[13CH3])c1ccc(cc1)Cl 1458a_100011216001_200025704644 [0,2,0,0,0,0|0,0,2]=4 958 B12R1.20 CC(C(=O)[13CH3])c1ccc(cc1)F 1458a_100011435297_200025704644 [0,2,0,0,0,0|0,0,2]=4 959 B12R1.20 CC(C(=O)[13CH3])c1ccc(cc1)O 1458a_100000031422_200025704644 [0,2,0,0,0,0|0,0,2]=4 960 B12R1.20 Cc1ccc(cc1)C(C)C(=O)[13CH3] 1458a_100000751627_200025704644 [0,2,0,0,0,0|0,0,2]=4 961 B12R1.20 Cc1ccc(cc1)[C@@H](O)C(=O)[13CH3] 1458a_100009815954_200025704644 [0,2,0,0,0,0|1,0,1]=4 962 B12R1.20 NC(=O)C(=O)c1ccc(cc1)O 271570a_203496583355_200009822167 [0,2,0,0,0,0|1,0,0]=3 963 B12R1.20 [13CH3]C(=O)C(F)c1ccc(cc1)Cl 1458a_100012277543_200025704644 [0,2,0,0,0,0|1,0,1]=4 964 B12R1.20 [13CH3]C(=O)C(O)c1ccc(cc1)Br 1458a_100000756554_200025704644 [0,2,0,0,0,0|1,0,1]=4 965 B12R1.20 [13CH3]C(=O)C(O)c1ccc(cc1)F 1458a_100000209909_200025704644 [0,2,0,0,0,0|1,0,1]=4 966 B12R1.20 [13CH3]C(=O)C(O)c1ccc(cc1)O 1458a_100011215213_200025704644 [0,2,0,0,0,0|1,0,1]=4 967 B12R1.20 [13CH3]C(=O)[C@H](O)c1ccc(cc1)Cl 1458a_100009817493_200025704644 [0,2,0,0,0,0|1,0,1]=4 968 B12R1.225 CC(=C(C)c1cccc(c1)Br)C 271570a_200000049429_100000691529 [0,2,0,0,0,0|1,0,1]=4 969 B12R1.225 CC(=C(C)c1cccc(c1)C)C 271570a_200000049429_100011215228 [0,2,0,0,0,0|1,0,1]=4 970 B12R1.225 CC(=C(C)c1cccc(c1)Cl)C 271570a_200000049429_100000699651 [0,2,0,0,0,0|1,0,1]=4 971 B12R1.225 CC(=C(C)c1cccc(c1)F)C 271570a_200000049429_100000685547 [0,2,0,0,0,0|1,0,1]=4 972 B12R1.225 CC(=C(C)c1cccc(c1)N)C 271570a_200000049429_100000210019 [0,2,0,0,0,0|1,0,1]=4 973 B12R1.225 CC(=C(C)c1cccc(c1)O)C 271570a_200000049429_100000211634 [0,2,0,0,0,0|1,0,1]=4 974 B12R1.225 CC(=C(C)c1cccc(c1)[S])C 271570a_200000049429_114929384022 [0,2,0,0,0,0|1,0,1]=4 975 B12R1.225 CC(=O)C(C)c1cccc(c1)Br 1458a_100000722698_200000210301 [0,2,0,0,0,0|0,0,2]=4 976 B12R1.225 CC(=O)C(C)c1cccc(c1)Cl 1458a_100000762818_200000210301 [0,2,0,0,0,0|0,0,2]=4 977 B12R1.225 CC(=O)C(C)c1cccc(c1)F 1458a_100000762896_200000210301 [0,2,0,0,0,0|0,0,2]=4 978 B12R1.225 CC(=O)C(O)c1cccc(c1)C 1458a_100011434945_200000210301 [0,2,0,0,0,0|1,0,1]=4 979 B12R1.225 CC(=O)C(O)c1cccc(c1)Cl 1458a_100011216955_200000210301 [0,2,0,0,0,0|1,0,1]=4 980 B12R1.225 CC(=O)C(O)c1cccc(c1)F 1458a_100011434943_200000210301 [0,2,0,0,0,0|1,0,1]=4 981 B12R1.225 CC(=O)N(C)c1cccc(c1)Br 11a_100000219648_100015343762 [0,2,0,0,0,0|1,0,1]=4 982 B12R1.225 CC(=O)N(C)c1cccc(c1)Br 1626a_100000219648_100015343762 [0,2,0,0,0,0|1,0,1]=4 983 B12R1.225 CC(=O)N(C)c1cccc(c1)Br 22a_100000219648_100000070787 [0,2,0,0,0,0|1,0,1]=4 984 B12R1.225 CC(=O)N(C)c1cccc(c1)Br 527a_100000219648_100103153847 [0,2,0,0,0,0|1,0,1]=4 985 B12R1.225 CC(=O)N(C)c1cccc(c1)C 11a_100000219674_100015343762 [0,2,0,0,0,0|1,0,1]=4 986 B12R1.225 CC(=O)N(C)c1cccc(c1)C 1626a_100000219674_100015343762 [0,2,0,0,0,0|1,0,1]=4 987 B12R1.225 CC(=O)N(C)c1cccc(c1)C 22a_100000219674_100000070787 [0,2,0,0,0,0|1,0,1]=4 988 B12R1.225 CC(=O)N(C)c1cccc(c1)Cl 11a_100000220044_100015343762 [0,2,0,0,0,0|1,0,1]=4 989 B12R1.225 CC(=O)N(C)c1cccc(c1)Cl 1626a_100000220044_100015343762 [0,2,0,0,0,0|1,0,1]=4 990 B12R1.225 CC(=O)N(C)c1cccc(c1)Cl 22a_100000220044_100000070787 [0,2,0,0,0,0|1,0,1]=4 991 B12R1.225 CC(=O)N(C)c1cccc(c1)F 11a_100020633736_100015343762 [0,2,0,0,0,0|1,0,1]=4 992 B12R1.225 CC(=O)N(C)c1cccc(c1)F 1626a_100020633736_100015343762 [0,2,0,0,0,0|1,0,1]=4 993 B12R1.225 CC(=O)N(C)c1cccc(c1)F 22a_100020633736_100000070787 [0,2,0,0,0,0|1,0,1]=4 994 B12R1.225 CC(=O)N(C)c1cccc(c1)I 11a_100000221217_100015343762 [0,2,0,0,0,0|1,0,1]=4 995 B12R1.225 CC(=O)N(C)c1cccc(c1)I 1626a_100000221217_100015343762 [0,2,0,0,0,0|1,0,1]=4 996 B12R1.225 CC(=O)N(C)c1cccc(c1)I 22a_100000221217_100000070787 [0,2,0,0,0,0|1,0,1]=4 997 B12R1.225 CC(=O)N(C)c1cccc(c1)O 527a_100000756613_100103153847 [0,2,0,0,0,0|1,0,1]=4 998 B12R1.225 CC(=O)[C@H](C)c1cccc(c1)C 1458a_200009911544_200000210301 [0,2,0,0,0,0|0,0,2]=4 999 B12R1.225 CC(C(=O)[13CH3])c1cccc(c1)Br 1458a_100000722698_200025704644 [0,2,0,0,0,0|0,0,2]=4 1000 B12R1.225 CC(C(=O)[13CH3])c1cccc(c1)Cl 1458a_100000762818_200025704644 [0,2,0,0,0,0|0,0,2]=4 1001 B12R1.225 CC(C(=O)[13CH3])c1cccc(c1)F 1458a_100000762896_200025704644 [0,2,0,0,0,0|0,0,2]=4 1002 B12R1.225 Cc1cccc(c1)C(O)C(=O)[13CH3] 1458a_100011434945_200025704644 [0,2,0,0,0,0|1,0,1]=4 1003 B12R1.225 Cc1cccc(c1)[C@@H](C)C(=O)[13CH3] 1458a_200009911544_200025704644 [0,2,0,0,0,0|0,0,2]=4 1004 B12R1.225 [13CH3]C(=O)C(O)c1cccc(c1)Cl 1458a_100011216955_200025704644 [0,2,0,0,0,0|1,0,1]=4 1005 B12R1.225 [13CH3]C(=O)C(O)c1cccc(c1)F 1458a_100011434943_200025704644 [0,2,0,0,0,0|1,0,1]=4 1006 B12R1.435 C=Cc1cccc(c1)C(=O)C=O 271570a_100011290941_100000726164 [0,2,0,0,0,0|1,0,0]=3 1007 B12R1.435 CSc1cccc(c1)C(=O)C=O 62a_100000726164_200000210301 [0,2,0,0,0,0|1,0,0]=3 1008 B12R1.435 CSc1cccc(c1)C(=O)C=O 62a_200000210301_100000726164 [0,2,0,0,0,0|1,0,0]=3 1009 B12R1.435 [13CH3]Sc1cccc(c1)C(=O)C=O 62a_100000726164_200025704644 [0,2,0,0,0,0|1,0,0]=3 1010 B12R1.435 [13CH3]Sc1cccc(c1)C(=O)C=O 62a_200025704644_100000726164 [0,2,0,0,0,0|1,0,0]=3 1011 B12R1.124 CC(=C(C)c1ccccc1Br)C 271570a_200000049429_100000695589 [0,2,0,0,0,0|1,0,1]=4 1012 B12R1.124 CC(=C(C)c1ccccc1C)C 271570a_200000049429_100000210755 [0,2,0,0,0,0|1,0,1]=4 1013 B12R1.124 CC(=C(C)c1ccccc1Cl)C 271570a_200000049429_100000764095 [0,2,0,0,0,0|1,0,1]=4 1014 B12R1.124 CC(=C(C)c1ccccc1F)C 271570a_200000049429_100011215700 [0,2,0,0,0,0|1,0,1]=4 1015 B12R1.124 CC(=C(C)c1ccccc1N)C 271570a_200000049429_100000210017 [0,2,0,0,0,0|1,0,1]=4 1016 B12R1.124 CC(=C(C)c1ccccc1O)C 271570a_200000049429_100000739446 [0,2,0,0,0,0|1,0,1]=4 1017 B12R1.124 CC(=O)C(C)c1ccccc1Br 1458a_100012359601_200000210301 [0,2,0,0,0,0|0,0,2]=4 1018 B12R1.124 CC(=O)C(C)c1ccccc1Cl 1458a_100000070787_100000181259 [0,2,0,0,0,0|0,0,2]=4 1019 B12R1.124 CC(=O)C(C)c1ccccc1Cl 1458a_100011667492_200000210301 [0,2,0,0,0,0|0,0,2]=4 1020 B12R1.124 CC(=O)C(C)c1ccccc1F 1458a_100000070787_200000741388 [0,2,0,0,0,0|0,0,2]=4 1021 B12R1.124 CC(=O)C(O)c1ccccc1Br 1458a_200011356456_200000210301 [0,2,0,0,0,0|1,0,1]=4 1022 B12R1.124 CC(=O)C(O)c1ccccc1Cl 1458a_100011217820_200000210301 [0,2,0,0,0,0|1,0,1]=4 1023 B12R1.124 CC(=O)C(O)c1ccccc1F 1458a_100011219519_200000210301 [0,2,0,0,0,0|1,0,1]=4 1024 B12R1.124 CC(=O)N(C)c1ccccc1Br 11a_100020606079_100015343762 [0,2,0,0,0,0|1,0,1]=4 1025 B12R1.124 CC(=O)N(C)c1ccccc1Br 1626a_100020606079_100015343762 [0,2,0,0,0,0|1,0,1]=4 1026 B12R1.124 CC(=O)N(C)c1ccccc1C 11a_100000219699_100015343762 [0,2,0,0,0,0|1,0,1]=4 1027 B12R1.124 CC(=O)N(C)c1ccccc1C 1626a_100000219699_100015343762 [0,2,0,0,0,0|1,0,1]=4 1028 B12R1.124 CC(=O)N(C)c1ccccc1C 22a_100000219699_100000070787 [0,2,0,0,0,0|1,0,1]=4 1029 B12R1.124 CC(=O)N(C)c1ccccc1Cl 11a_100000219374_100015343762 [0,2,0,0,0,0|1,0,1]=4 1030 B12R1.124 CC(=O)N(C)c1ccccc1Cl 1626a_100000219374_100015343762 [0,2,0,0,0,0|1,0,1]=4 1031 B12R1.124 CC(=O)N(C)c1ccccc1F 11a_100000220357_100015343762 [0,2,0,0,0,0|1,0,1]=4 1032 B12R1.124 CC(=O)N(C)c1ccccc1F 1626a_100000220357_100015343762 [0,2,0,0,0,0|1,0,1]=4 1033 B12R1.124 CC(=O)N(C)c1ccccc1F 22a_100000220357_100000070787 [0,2,0,0,0,0|1,0,1]=4 1034 B12R1.124 CC(=O)N(C)c1ccccc1O 22a_100000033821_100000070787 [0,2,0,0,0,0|1,0,1]=4 1035 B12R1.124 CC(=O)N(C)c1ccccc1O 527a_100000033821_100103153847 [0,2,0,0,0,0|1,0,1]=4 1036 B12R1.124 CC(C(=O)[13CH3])c1ccccc1Br 1458a_100012359601_200025704644 [0,2,0,0,0,0|0,0,2]=4 1037 B12R1.124 CC(C(=O)[13CH3])c1ccccc1Cl 1458a_100011667492_200025704644 [0,2,0,0,0,0|0,0,2]=4 1038 B12R1.124 [13CH3]C(=O)C(O)c1ccccc1Br 1458a_200011356456_200025704644 [0,2,0,0,0,0|1,0,1]=4 1039 B12R1.124 [13CH3]C(=O)C(O)c1ccccc1Cl 1458a_100011217820_200025704644 [0,2,0,0,0,0|1,0,1]=4 1040 B12R1.124 [13CH3]C(=O)C(O)c1ccccc1F 1458a_100011219519_200025704644 [0,2,0,0,0,0|1,0,1]=4 1041 B10R1.30 Cc1ccc(c(c1)C=O)O 271570a_203496583355_100011551863 [0,0,1,1,0,0|1,0,1]=4 1042 B10R1.30 Cc1ccc(cc1C=O)O 271570a_203496583355_100011361606 [0,0,1,1,0,0|1,0,1]=4 1043 B10R1.30 Nc1ccc(cc1C=O)O 271570a_203496583355_100011935258 [0,0,1,1,0,0|2,0,0]=4 1044 B10R1.30 O=Cc1cc(ccc1Br)O 271570a_203496583355_100010185652 [0,0,1,1,0,0|2,0,0]=4 1045 B10R1.30 O=Cc1cc(ccc1Cl)O 271570a_203496583355_100010254384 [0,0,1,1,0,0|2,0,0]=4 1046 B10R1.30 O=Cc1cc(ccc1F)O 271570a_203496583355_100000211465 [0,0,1,1,0,0|2,0,0]=4 1047 B10R1.30 O=Cc1cc(ccc1O)Br 271570a_203496583355_100010185651 [0,0,1,1,0,0|2,0,0]=4 1048 B10R1.30 O=Cc1cc(ccc1O)Cl 271570a_203496583355_100010254386 [0,0,1,1,0,0|2,0,0]=4 1049 B10R1.30 O=Cc1cc(ccc1O)F 271570a_203496583355_100011218309 [0,0,1,1,0,0|2,0,0]=4 1050 B10R1.30 O=Cc1cc(ccc1O)O 271570a_203496583355_100000186750 [0,0,1,1,0,0|2,0,0]=4 1051 B10R1.30 O=Cc1cc(ccc1O)O 271570a_203496583355_100000690577 [0,0,1,1,0,0|2,0,0]=4 1052 B10R1.35 C=Cc1cc(c(s1)C=O)C 271570a_100011290941_100010221198 [0,0,1,1,0,0|1,0,1]=4 1053 B10R1.2 C=Cc1cccc(=O)n1C 271570a_100011290941_100000726605 [0,0,1,1,0,0|1,0,1]=4 1054 B10R1.2 C=Cc1cccc(c1Br)O 271570a_100011290941_100010187914 [0,0,1,1,0,0|1,0,1]=4 1055 B10R1.2 C=Cc1cccc(c1C)Br 271570a_100011290941_100012353703 [0,0,1,1,0,0|1,0,1]=4 1056 B10R1.2 C=Cc1cccc(c1C)C 271570a_100011290941_100011214922 [0,0,1,1,0,0|1,0,1]=4 1057 B10R1.2 C=Cc1cccc(c1C)Cl 271570a_100011290941_100000726075 [0,0,1,1,0,0|1,0,1]=4 1058 B10R1.2 C=Cc1cccc(c1C)F 271570a_100011290941_100011216893 [0,0,1,1,0,0|1,0,1]=4 1059 B10R1.2 C=Cc1cccc(c1C)N 271570a_100011290941_100000761887 [0,0,1,1,0,0|1,0,1]=4 1060 B10R1.2 C=Cc1cccc(c1C)O 271570a_100011290941_100012002258 [0,0,1,1,0,0|0,0,2]=4 1061 B10R1.2 C=Cc1cccc(c1Cl)Br 271570a_100011290941_100010142854 [0,0,1,1,0,0|2,0,0]=4 1062 B10R1.2 C=Cc1cccc(c1Cl)C 271570a_100011290941_200012352035 [0,0,1,1,0,0|2,0,0]=4 1063 B10R1.2 C=Cc1cccc(c1Cl)Cl 271570a_100011290941_100011215384 [0,0,1,1,0,0|2,0,0]=4 1064 B10R1.2 C=Cc1cccc(c1Cl)F 271570a_100011290941_200010234923 [0,0,1,1,0,0|2,0,0]=4 1065 B10R1.2 C=Cc1cccc(c1Cl)O 271570a_100011290941_100000049636 [0,0,1,1,0,0|1,0,1]=4 1066 B10R1.2 C=Cc1cccc(c1F)Br 271570a_100011290941_100000702267 [0,0,1,1,0,0|2,0,0]=4 1067 B10R1.2 C=Cc1cccc(c1F)C 271570a_100011290941_100000717567 [0,0,1,1,0,0|2,0,0]=4 1068 B10R1.2 C=Cc1cccc(c1F)Cl 271570a_100011290941_100011217346 [0,0,1,1,0,0|2,0,0]=4 1069 B10R1.2 C=Cc1cccc(c1F)F 271570a_100011290941_100000694657 [0,0,1,1,0,0|2,0,0]=4 1070 B10R1.2 C=Cc1cccc(c1F)N 271570a_100011290941_100011935091 [0,0,1,1,0,0|2,0,0]=4 1071 B10R1.2 C=Cc1cccc(c1F)O 271570a_100011290941_100009817021 [0,0,1,1,0,0|1,0,1]=4 1072 B10R1.2 C=Cc1cccc(c1N)Br 271570a_100011290941_100010146558 [0,0,1,1,0,0|2,0,0]=4 1073 B10R1.2 C=Cc1cccc(c1N)C 271570a_100011290941_100011834072 [0,0,1,1,0,0|2,0,0]=4 1074 B10R1.2 C=Cc1cccc(c1N)Cl 271570a_100011290941_100010190421 [0,0,1,1,0,0|2,0,0]=4 1075 B10R1.2 C=Cc1cccc(c1N)F 271570a_100011290941_100000042321 [0,0,1,1,0,0|2,0,0]=4 1076 B10R1.2 C=Cc1cccc(c1N)N 271570a_100011290941_100015191791 [0,0,1,1,0,0|2,0,0]=4 1077 B10R1.2 C=Cc1cccc(c1N)O 271570a_100011290941_100011934926 [0,0,1,1,0,0|1,0,1]=4 1078 B10R1.2 C=Cc1cccc(c1O)Br 271570a_100011290941_100010084509 [0,0,1,1,0,0|2,0,0]=4 1079 B10R1.2 C=Cc1cccc(c1O)C 271570a_100011290941_100009817157 [0,0,1,1,0,0|2,0,0]=4 1080 B10R1.2 C=Cc1cccc(c1O)Cl 271570a_100011290941_100010202889 [0,0,1,1,0,0|2,0,0]=4 1081 B10R1.2 C=Cc1cccc(c1O)F 271570a_100011290941_100009813666 [0,0,1,1,0,0|2,0,0]=4 1082 B10R1.2 C=Cc1cccc(c1O)N 271570a_100011290941_100011934915 [0,0,1,1,0,0|2,0,0]=4 1083 B10R1.2 C=Cc1cccc(c1O)O 271570a_100011290941_100009815950 [0,0,1,1,0,0|1,0,1]=4 1084 B10R1.5 C=C=Cc1ccoc1C=O 271570a_100015277604_100000756499 [0,0,1,1,0,0|1,0,1]=4 1085 B10R1.5 C=C=Cc1ccsc1C=O 271570a_100015277604_100000766043 [0,0,1,1,0,0|1,0,1]=4 1086 B10R1.5 C=C=Cc1cscc1C=O 271570a_100015277604_100000685484 [0,0,1,1,0,0|1,0,1]=4 1087 B10R1.5 C=C=Cc1sccc1C=O 271570a_100015277604_100009816921 [0,0,1,1,0,0|1,0,1]=4 1088 B10R1.5 CC=Cc1ccoc1C=O 271570a_100016259895_100000756499 [0,0,1,1,0,0|1,0,1]=4 1089 B10R1.5 CC=Cc1ccsc1C=O 271570a_100016259895_100000766043 [0,0,1,1,0,0|1,0,1]=4 1090 B10R1.5 CC=Cc1cscc1C=O 271570a_100016259895_100000685484 [0,0,1,1,0,0|1,0,1]=4 1091 B10R1.5 CC=Cc1sccc1C=O 271570a_100016259895_100009816921 [0,0,1,1,0,0|1,0,1]=4 1092 B10R1.20 C=Cc1ccccc1C#N 271570a_100011290941_100000188569 [0,0,1,1,0,0|1,0,1]=4 1093 B10R1.20 C=Cc1ccccc1C=O 271570a_100011290941_100000211189 [0,0,1,1,0,0|0,0,0]=2 1094 B10R1.20 C=Cc1ccccc1CC 271570a_100011290941_100011215823 [0,0,1,1,0,0|1,0,1]=4 1095 B10R1.20 C=Cc1ccccc1CN 271570a_100011290941_100000689332 [0,0,1,1,0,0|1,0,1]=4 1096 B10R1.20 C=Cc1ccccc1CO 271570a_100011290941_100000187465 [0,0,1,1,0,0|0,0,2]=4 1097 B10R1.20 C=Cc1ccccc1NC 271570a_100011290941_100020606079 [0,0,1,1,0,0|2,0,0]=4 1098 B10R1.20 C=Cc1ccccc1NC 34a_100012022501_200000210301 [0,0,1,1,0,0|2,0,0]=4 1099 B10R1.20 C=Cc1ccccc1NN 271570a_100011290941_100000241748 [0,0,1,1,0,0|2,0,0]=4 1100 B10R1.20 C=Cc1ccccc1N[13CH3] 34a_100012022501_200025704644 [0,0,1,1,0,0|2,0,0]=4 1101 B10R1.20 C=Cc1ccccc1OC 271570a_100011290941_100000174000 [0,0,1,1,0,0|2,0,0]=4 1102 B10R1.20 C=Cc1ccccc1SC 271570a_100011290941_100011217816 [0,0,1,1,0,0|2,0,0]=4 1103 B10R1.20 C=Cc1ccccc1SC 62a_100011218376_200000210301 [0,0,1,1,0,0|2,0,0]=4 1104 B10R1.20 C=Cc1ccccc1SC 62a_200000210301_100011218376 [0,0,1,1,0,0|2,0,0]=4 1105 B10R1.20 C=Cc1ccccc1S[13CH3] 62a_100011218376_200025704644 [0,0,1,1,0,0|2,0,0]=4 1106 B10R1.20 C=Cc1ccccc1S[13CH3] 62a_200025704644_100011218376 [0,0,1,1,0,0|2,0,0]=4 1107 B10R1.20 C=Cc1cccnc1C=O 271570a_100011290941_100011934733 [0,0,1,1,0,0|1,0,0]=3 1108 B10R1.20 C=Cc1ccncc1C=O 271570a_100011290941_100000050567 [0,0,1,1,0,0|1,0,0]=3 1109 B10R1.20 C=Cc1cnccc1C=O 271570a_100011290941_100011934409 [0,0,1,1,0,0|1,0,0]=3 1110 B10R1.20 C=Cc1ncccc1C=O 271570a_100011290941_100009816751 [0,0,1,1,0,0|1,0,0]=3 1111 B10R1.20 CSc1ccccc1C=O 62a_100000210073_200000210301 [0,0,1,1,0,0|1,0,1]=4 1112 B10R1.20 CSc1ccccc1C=O 62a_200000210301_100000210073 [0,0,1,1,0,0|1,0,1]=4 1113 B10R1.20 [13CH3]Sc1ccccc1C=O 62a_100000210073_200025704644 [0,0,1,1,0,0|1,0,1]=4 1114 B10R1.20 [13CH3]Sc1ccccc1C=O 62a_200025704644_100000210073 [0,0,1,1,0,0|1,0,1]=4 1115 B10R1.32 C=Cc1cc(sc1C=O)C 271570a_100011290941_100011361552 [0,0,1,1,0,0|1,0,1]=4 1116 B10R1.96 C=C=Cc1cc(c[nH]1)C=O 271570a_100015277604_100009882863 [0,0,1,1,0,0|1,0,1]=4 1117 B10R1.96 C=C=Cc1cc(cs1)C=O 271570a_100015277604_100000737087 [0,0,1,1,0,0|1,0,1]=4 1118 B10R1.96 C=C=Cc1ccc(o1)C=O 271570a_100015277604_100000185145 [0,0,1,1,0,0|1,0,1]=4 1119 B10R1.96 C=C=Cc1ccc(s1)C=O 271570a_100015277604_100000179771 [0,0,1,1,0,0|1,0,1]=4 1120 B10R1.96 C=C=Cc1coc(c1)C=O 271570a_100015277604_100000747035 [0,0,1,1,0,0|1,0,1]=4 1121 B10R1.96 C=C=Cc1csc(c1)C=O 271570a_100015277604_100000211722 [0,0,1,1,0,0|1,0,1]=4 1122 B10R1.96 CC=Cc1cc(c[nH]1)C=O 271570a_100016259895_100009882863 [0,0,1,1,0,0|1,0,1]=4 1123 B10R1.96 CC=Cc1cc(cs1)C=O 271570a_100016259895_100000737087 [0,0,1,1,0,0|1,0,1]=4 1124 B10R1.96 CC=Cc1ccc(o1)C=O 271570a_100016259895_100000185145 [0,0,1,1,0,0|1,0,1]=4 1125 B10R1.96 CC=Cc1ccc(s1)C=O 271570a_100016259895_100000179771 [0,0,1,1,0,0|1,0,1]=4 1126 B10R1.96 CC=Cc1coc(c1)C=O 271570a_100016259895_100000747035 [0,0,1,1,0,0|1,0,1]=4 1127 B10R1.96 CC=Cc1csc(c1)C=O 271570a_100016259895_100000211722 [0,0,1,1,0,0|1,0,1]=4 1128 B10R1.172 C=Cc1cc(ccn1)C=O 271570a_100011290941_100011290808 [0,0,1,1,0,0|1,0,0]=3 1129 B10R1.172 C=Cc1cccc(c1)C#N 271570a_100011290941_100000189340 [0,0,1,1,0,0|1,0,1]=4 1130 B10R1.172 C=Cc1cccc(c1)C=O 271570a_100011290941_100000014684 [0,0,1,1,0,0|0,0,0]=2 1131 B10R1.172 C=Cc1cccc(c1)CC 271570a_100011290941_100000684523 [0,0,1,1,0,0|1,0,1]=4 1132 B10R1.172 C=Cc1cccc(c1)CF 271570a_100011290941_100010878472 [0,0,1,1,0,0|1,0,1]=4 1133 B10R1.172 C=Cc1cccc(c1)CN 271570a_100011290941_100000106179 [0,0,1,1,0,0|1,0,1]=4 1134 B10R1.172 C=Cc1cccc(c1)CO 271570a_100011290941_100000687537 [0,0,1,1,0,0|0,0,2]=4 1135 B10R1.172 C=Cc1cccc(c1)NC 271570a_100011290941_100000219648 [0,0,1,1,0,0|2,0,0]=4 1136 B10R1.172 C=Cc1cccc(c1)NC 34a_100011827668_200000210301 [0,0,1,1,0,0|2,0,0]=4 1137 B10R1.172 C=Cc1cccc(c1)NN 271570a_100011290941_100000217339 [0,0,1,1,0,0|2,0,0]=4 1138 B10R1.172 C=Cc1cccc(c1)N[13CH3] 34a_100011827668_200025704644 [0,0,1,1,0,0|2,0,0]=4 1139 B10R1.172 C=Cc1cccc(c1)OC 271570a_100011290941_100000170001 [0,0,1,1,0,0|2,0,0]=4 1140 B10R1.172 C=Cc1cccc(c1)OC 34a_100011309434_200000210301 [0,0,1,1,0,0|2,0,0]=4 1141 B10R1.172 C=Cc1cccc(c1)OC 7a_100011309434_200000210301 [0,0,1,1,0,0|2,0,0]=4 1142 B10R1.172 C=Cc1cccc(c1)O[13CH3] 34a_100011309434_200025704644 [0,0,1,1,0,0|2,0,0]=4 1143 B10R1.172 C=Cc1cccc(c1)O[13CH3] 7a_100011309434_200025704644 [0,0,1,1,0,0|2,0,0]=4 1144 B10R1.172 C=Cc1cccc(c1)SC 271570a_100011290941_100011215954 [0,0,1,1,0,0|2,0,0]=4 1145 B10R1.172 C=Cc1cccc(c1)SC 62a_100011215241_200000210301 [0,0,1,1,0,0|2,0,0]=4 1146 B10R1.172 C=Cc1cccc(c1)SC 62a_200000210301_100011215241 [0,0,1,1,0,0|2,0,0]=4 1147 B10R1.172 C=Cc1cccc(c1)S[13CH3] 62a_100011215241_200025704644 [0,0,1,1,0,0|2,0,0]=4 1148 B10R1.172 C=Cc1cccc(c1)S[13CH3] 62a_200025704644_100011215241 [0,0,1,1,0,0|2,0,0]=4 1149 B10R1.172 C=Cc1cccc(n1)C=O 271570a_100011290941_100000688028 [0,0,1,1,0,0|1,0,0]=3 1150 B10R1.172 C=Cc1ccnc(c1)C=O 271570a_100011290941_100011998288 [0,0,1,1,0,0|1,0,0]=3 1151 B10R1.172 C=Cc1cncc(c1)C=O 271570a_100011290941_100000687066 [0,0,1,1,0,0|1,0,0]=3 1152 B10R1.172 CSc1cccc(c1)C=O 62a_100000014684_200000210301 [0,0,1,1,0,0|1,0,1]=4 1153 B10R1.172 CSc1cccc(c1)C=O 62a_200000210301_100000014684 [0,0,1,1,0,0|1,0,1]=4 1154 B10R1.172 [13CH3]Sc1cccc(c1)C=O 62a_100000014684_200025704644 [0,0,1,1,0,0|1,0,1]=4 1155 B10R1.172 [13CH3]Sc1cccc(c1)C=O 62a_200025704644_100000014684 [0,0,1,1,0,0|1,0,1]=4 1156 B12R2.18 Cc1c(sc2c1cccc2)O 271570a_203496583355_200010198769 [0,0,0,1,0,1|2,0,0]=4 1157 B12R2.18 Cc1oc2ccccc2c1O 271570a_203496583355_200010236113 [0,0,0,1,0,1|0,0,2]=4 1158 B12R2.18 Cc1sc2ccccc2c1O 271570a_203496583355_100010002616 [0,0,0,1,0,1|0,0,2]=4 1159 B12R2.24 Oc1ccc2ccccc2c1 271570a_203496583355_100000233703 [0,0,0,1,0,1|2,0,0]=4 1160 B12R2.24 Oc1ccc2ccccc2n1 271570a_203496583355_100011291633 [0,0,0,1,0,1|2,0,0]=4 1161 B12R2.24 Oc1cnc2ccccc2c1 271570a_203496583355_100000737414 [0,0,0,1,0,1|2,0,0]=4 1162 B12R2.24 Oc1cnc2ccccc2n1 271570a_203496583355_100000756483 [0,0,0,1,0,1|2,0,0]=4 1163 B12R2.32 C=Cc1cc2ccccc2[nH]1 271570a_100011290941_100010232065 [0,0,0,1,0,1|1,0,0]=3 1164 B12R2.32 C=Cc1cc2ccccc2o1 271570a_100011290941_100010159458 [0,0,0,1,0,1|1,0,0]=3 1165 B12R2.32 C=Cc1cc2ccccc2s1 271570a_100011290941_100009816949 [0,0,0,1,0,1|1,0,0]=3 1166 B12R2.32 C=Cc1cc2cccnc2[nH]1 271570a_100011290941_100010079843 [0,0,0,1,0,1|2,0,0]=4 1167 B12R2.32 C=Cc1cn2ccccc2n1 271570a_100011290941_100009819586 [0,0,0,1,0,1|2,0,0]=4 1168 B12R2.32 C=Cc1nc2ccccc2[nH]1 271570a_100011290941_100009814255 [0,0,0,1,0,1|2,0,0]=4 1169 B12R2.32 C=Cc1nc2ccccc2s1 271570a_100011290941_100000751744 [0,0,0,1,0,1|2,0,0]=4 1170 B12R2.32 CSc1cc2ccccc2[nH]1 62a_200000210301_100010232065 [0,0,0,1,0,1|2,0,0]=4 1171 B12R2.32 CSc1cc2ccccc2o1 62a_200000210301_100010159458 [0,0,0,1,0,1|2,0,0]=4 1172 B12R2.32 CSc1cc2ccccc2s1 62a_200000210301_100009816949 [0,0,0,1,0,1|2,0,0]=4 1173 B12R2.32 [13CH3]Sc1cc2ccccc2[nH]1 62a_200025704644_100010232065 [0,0,0,1,0,1|2,0,0]=4 1174 B12R2.32 [13CH3]Sc1cc2ccccc2o1 62a_200025704644_100010159458 [0,0,0,1,0,1|2,0,0]=4 1175 B12R2.32 [13CH3]Sc1cc2ccccc2s1 62a_200025704644_100009816949 [0,0,0,1,0,1|2,0,0]=4 1176 B12R2.1 C=Cc1c[nH]c2c1cccn2 271570a_100011290941_100011934613 [0,1,0,1,0,0|2,0,0]=4 1177 B12R2.1 C=Cc1c[nH]c2c1ccnc2 271570a_100011290941_100010232032 [0,1,0,1,0,0|2,0,0]=4 1178 B12R2.1 C=Cc1c[nH]c2c1cncc2 271570a_100011290941_100011934843 [0,1,0,1,0,0|2,0,0]=4 1179 B12R2.1 C=Cc1c[nH]c2c1nccc2 271570a_100011290941_100009817151 [0,1,0,1,0,0|2,0,0]=4 1180 B12R2.1 C=Cc1cnc2n1cccc2 271570a_100011290941_100011219245 [0,1,0,1,0,0|2,0,0]=4 1181 B12R2.1 C=Cc1cnn2c1cccc2 271570a_100011290941_100009817726 [0,1,0,1,0,0|2,0,0]=4 1182 B12R2.1 C=Cc1coc2c1cccc2 271570a_100011290941_100009812202 [0,1,0,1,0,0|0,0,1]=3 1183 B12R2.1 C=Cc1coc2c1nccc2 271570a_100011290941_100009889148 [0,1,0,1,0,0|1,0,1]=4 1184 B12R2.1 C=Cc1csc2c1cccc2 271570a_100011290941_100009813928 [0,1,0,1,0,0|0,1,0]=3 1185 B12R2.1 C=Cc1csc2c1cccn2 271570a_100011290941_100009830249 [0,1,0,1,0,0|1,1,0]=4 1186 B12R2.1 C=Cc1csc2c1ccnc2 271570a_100011290941_100009817111 [0,1,0,1,0,0|1,1,0]=4 1187 B12R2.1 C=Cc1csc2c1cncc2 271570a_100011290941_100010247091 [0,1,0,1,0,0|1,1,0]=4 1188 B12R2.1 C=Cc1csc2c1nccc2 271570a_100011290941_100010247092 [0,1,0,1,0,0|1,1,0]=4 1189 B12R2.1 C=Cc1n[nH]c2c1cccc2 271570a_100011290941_100000050141 [0,1,0,1,0,0|2,0,0]=4 1190 B12R2.1 C=Cc1ncn2c1cccc2 271570a_100011290941_100000688344 [0,1,0,1,0,0|2,0,0]=4 1191 B12R2.1 COc1csc2c1cccc2 34a_100000077758_200000210301 [0,1,0,1,0,0|0,1,1]=4 1192 B12R2.1 COc1csc2c1cccc2 7a_100000077758_200000210301 [0,1,0,1,0,0|0,1,1]=4 1193 B12R2.1 CSc1coc2c1cccc2 62a_200000210301_100009812202 [0,1,0,1,0,0|0,0,2]=4 1194 B12R2.1 CSc1csc2c1cccc2 62a_200000210301_100009813928 [0,1,0,1,0,0|0,1,1]=4 1195 B12R2.1 [13CH3]Oc1csc2c1cccc2 34a_100000077758_200025704644 [0,1,0,1,0,0|0,1,1]=4 1196 B12R2.1 [13CH3]Oc1csc2c1cccc2 7a_100000077758_200025704644 [0,1,0,1,0,0|0,1,1]=4 1197 B12R2.1 [13CH3]Sc1coc2c1cccc2 62a_200025704644_100009812202 [0,1,0,1,0,0|0,0,2]=4 1198 B12R2.1 [13CH3]Sc1csc2c1cccc2 62a_200025704644_100009813928 [0,1,0,1,0,0|0,1,1]=4 1199 B12R2.2 C1=C(CCC1)c2ccccc2 271570a_100000089523_100000210277 [0,1,0,1,0,0|1,0,1]=4 1200 B12R2.2 C1=C(CCO1)c2ccccc2 271570a_100000118173_100000210277 [0,1,0,1,0,0|0,0,2]=4 1201 B12R2.2 C1=C(COC1)c2ccccc2 271570a_100009872500_100000210277 [0,1,0,1,0,0|0,0,2]=4 1202 B12R2.2 c1cc(ccn1)c2c[nH]cn2 271570a_100000752145_100000756875 [0,1,0,1,0,0|2,0,0]=4 1203 B12R2.2 c1cc(ccn1)c2cc[nH]c2 271570a_100000102155_100000035832 [0,1,0,1,0,0|2,0,0]=4 1204 B12R2.2 c1cc(ccn1)c2ccoc2 271570a_100000752145_100011215275 [0,1,0,1,0,0|1,0,1]=4 1205 B12R2.2 c1cc(ccn1)c2ccoc2 271570a_100011218838_100000035832 [0,1,0,1,0,0|1,0,1]=4 1206 B12R2.2 c1cc(ccn1)c2ccsc2 271570a_100000752145_100000738268 [0,1,0,1,0,0|1,1,0]=4 1207 B12R2.2 c1cc(ccn1)c2ccsc2 271570a_100011934443_100000035832 [0,1,0,1,0,0|1,1,0]=4 1208 B12R2.2 c1cc(ccn1)c2cn[nH]c2 271570a_100000041997_100000035832 [0,1,0,1,0,0|2,0,0]=4 1209 B12R2.2 c1cc(ccn1)c2cn[nH]c2 271570a_100000752145_100000238712 [0,1,0,1,0,0|2,0,0]=4 1210 B12R2.2 c1cc(ccn1)c2cnco2 271570a_100000752145_100020591547 [0,1,0,1,0,0|2,0,0]=4 1211 B12R2.2 c1cc(ccn1)c2cncs2 271570a_100000752145_100011934649 [0,1,0,1,0,0|2,0,0]=4 1212 B12R2.2 c1cc(ccn1)c2cncs2 271570a_100010231675_100000035832 [0,1,0,1,0,0|2,0,0]=4 1213 B12R2.2 c1cc(ccn1)c2cnoc2 271570a_100000752145_100009815712 [0,1,0,1,0,0|1,0,1]=4 1214 B12R2.2 c1cc(ccn1)c2cnsc2 271570a_100000752145_100009815736 [0,1,0,1,0,0|1,1,0]=4 1215 B12R2.2 c1cc(ccn1)c2cscn2 271570a_100000752145_100000751502 [0,1,0,1,0,0|1,1,0]=4 1216 B12R2.2 c1ccc(cc1)c2c[nH]cn2 271570a_100011218836_100000756875 [0,1,0,1,0,0|1,0,0]=3 1217 B12R2.2 c1ccc(cc1)c2cc[nH]c2 271570a_100000102155_100000210277 [0,1,0,1,0,0|1,0,0]=3 1218 B12R2.2 c1ccc(cc1)c2cc[nH]n2 271570a_100000062414_100000210277 [0,1,0,1,0,0|2,0,0]=4 1219 B12R2.2 c1ccc(cc1)c2cc[nH]n2 271570a_100011218836_100000062575 [0,1,0,1,0,0|2,0,0]=4 1220 B12R2.2 c1ccc(cc1)c2ccco2 271570a_100000750936_100000210277 [0,1,0,1,0,0|1,0,0]=3 1221 B12R2.2 c1ccc(cc1)c2ccco2 271570a_100011218836_100009814098 [0,1,0,1,0,0|1,0,0]=3 1222 B12R2.2 c1ccc(cc1)c2cccs2 271570a_100000742291_100000210277 [0,1,0,1,0,0|1,0,0]=3 1223 B12R2.2 c1ccc(cc1)c2cccs2 271570a_100011218836_100011215356 [0,1,0,1,0,0|1,0,0]=3 1224 B12R2.2 c1ccc(cc1)c2ccoc2 271570a_100011218836_100011215275 [0,1,0,1,0,0|0,0,1]=3 1225 B12R2.2 c1ccc(cc1)c2ccoc2 271570a_100011218838_100000210277 [0,1,0,1,0,0|0,0,1]=3 1226 B12R2.2 c1ccc(cc1)c2ccsc2 271570a_100011218836_100000738268 [0,1,0,1,0,0|0,1,0]=3 1227 B12R2.2 c1ccc(cc1)c2ccsc2 271570a_100011934443_100000210277 [0,1,0,1,0,0|0,1,0]=3 1228 B12R2.2 c1ccc(cc1)c2ccsn2 271570a_100011218836_100009818082 [0,1,0,1,0,0|1,1,0]=4 1229 B12R2.2 c1ccc(cc1)c2cn[nH]c2 271570a_100000041997_100000210277 [0,1,0,1,0,0|1,0,0]=3 1230 B12R2.2 c1ccc(cc1)c2cn[nH]c2 271570a_100011218836_100000238712 [0,1,0,1,0,0|1,0,0]=3 1231 B12R2.2 c1ccc(cc1)c2cnco2 271570a_100011218836_100020591547 [0,1,0,1,0,0|1,0,0]=3 1232 B12R2.2 c1ccc(cc1)c2cncs2 271570a_100010231675_100000210277 [0,1,0,1,0,0|1,0,0]=3 1233 B12R2.2 c1ccc(cc1)c2cncs2 271570a_100011218836_100011934649 [0,1,0,1,0,0|1,0,0]=3 1234 B12R2.2 c1ccc(cc1)c2cnoc2 271570a_100011218836_100009815712 [0,1,0,1,0,0|0,0,1]=3 1235 B12R2.2 c1ccc(cc1)c2cnsc2 271570a_100011218836_100009815736 [0,1,0,1,0,0|0,1,0]=3 1236 B12R2.2 c1ccc(cc1)c2cscn2 271570a_100011218836_100000751502 [0,1,0,1,0,0|0,1,0]=3 1237 B12R2.2 c1ccc(cc1)c2nc[nH]n2 271570a_100011218836_100000761765 [0,1,0,1,0,0|2,0,0]=4 1238 B12R2.2 c1ccc(cc1)c2ncc[nH]2 271570a_100011218836_100025796157 [0,1,0,1,0,0|2,0,0]=4 1239 B12R2.2 c1ccc(cc1)c2ncc[nH]2 271570a_100016988920_100000210277 [0,1,0,1,0,0|2,0,0]=4 1240 B12R2.2 c1ccc(cc1)c2ncco2 271570a_100011218836_100011787736 [0,1,0,1,0,0|2,0,0]=4 1241 B12R2.2 c1ccc(cc1)c2nccs2 271570a_100011218836_100000211983 [0,1,0,1,0,0|2,0,0]=4 1242 B12R2.2 c1ccc(cc1)c2ncns2 271570a_100011218836_100000693119 [0,1,0,1,0,0|2,0,0]=4 1243 B12R2.2 c1ccc(cc1)c2nncs2 271570a_100011218836_100000739804 [0,1,0,1,0,0|2,0,0]=4 1244 B12R2.2 c1ccc(nc1)c2c[nH]cn2 271570a_100011264011_100000756875 [0,1,0,1,0,0|2,0,0]=4 1245 B12R2.2 c1ccc(nc1)c2cc[nH]c2 271570a_100000102155_100011216584 [0,1,0,1,0,0|2,0,0]=4 1246 B12R2.2 c1ccc(nc1)c2ccco2 271570a_100000750936_100011216584 [0,1,0,1,0,0|2,0,0]=4 1247 B12R2.2 c1ccc(nc1)c2ccco2 271570a_100011264011_100009814098 [0,1,0,1,0,0|2,0,0]=4 1248 B12R2.2 c1ccc(nc1)c2cccs2 271570a_100000742291_100011216584 [0,1,0,1,0,0|2,0,0]=4 1249 B12R2.2 c1ccc(nc1)c2cccs2 271570a_100011264011_100011215356 [0,1,0,1,0,0|2,0,0]=4 1250 B12R2.2 c1ccc(nc1)c2ccoc2 271570a_100011218838_100011216584 [0,1,0,1,0,0|1,0,1]=4 1251 B12R2.2 c1ccc(nc1)c2ccoc2 271570a_100011264011_100011215275 [0,1,0,1,0,0|1,0,1]=4 1252 B12R2.2 c1ccc(nc1)c2ccsc2 271570a_100011264011_100000738268 [0,1,0,1,0,0|1,1,0]=4 1253 B12R2.2 c1ccc(nc1)c2ccsc2 271570a_100011934443_100011216584 [0,1,0,1,0,0|1,1,0]=4 1254 B12R2.2 c1ccc(nc1)c2cn[nH]c2 271570a_100000041997_100011216584 [0,1,0,1,0,0|2,0,0]=4 1255 B12R2.2 c1ccc(nc1)c2cn[nH]c2 271570a_100011264011_100000238712 [0,1,0,1,0,0|2,0,0]=4 1256 B12R2.2 c1ccc(nc1)c2cnco2 271570a_100011264011_100020591547 [0,1,0,1,0,0|2,0,0]=4 1257 B12R2.2 c1ccc(nc1)c2cncs2 271570a_100010231675_100011216584 [0,1,0,1,0,0|2,0,0]=4 1258 B12R2.2 c1ccc(nc1)c2cncs2 271570a_100011264011_100011934649 [0,1,0,1,0,0|2,0,0]=4 1259 B12R2.2 c1ccc(nc1)c2cnoc2 271570a_100011264011_100009815712 [0,1,0,1,0,0|1,0,1]=4 1260 B12R2.2 c1ccc(nc1)c2cnsc2 271570a_100011264011_100009815736 [0,1,0,1,0,0|1,1,0]=4 1261 B12R2.2 c1ccc(nc1)c2cscn2 271570a_100011264011_100000751502 [0,1,0,1,0,0|1,1,0]=4 1262 B12R2.2 c1cncc(c1)c2c[nH]cn2 271570a_100000757648_100000756875 [0,1,0,1,0,0|2,0,0]=4 1263 B12R2.2 c1cncc(c1)c2cc[nH]c2 271570a_100000102155_100000752921 [0,1,0,1,0,0|2,0,0]=4 1264 B12R2.2 c1cncc(c1)c2ccco2 271570a_100000750936_100000752921 [0,1,0,1,0,0|2,0,0]=4 1265 B12R2.2 c1cncc(c1)c2ccco2 271570a_100000757648_100009814098 [0,1,0,1,0,0|2,0,0]=4 1266 B12R2.2 c1cncc(c1)c2cccs2 271570a_100000742291_100000752921 [0,1,0,1,0,0|2,0,0]=4 1267 B12R2.2 c1cncc(c1)c2cccs2 271570a_100000757648_100011215356 [0,1,0,1,0,0|2,0,0]=4 1268 B12R2.2 c1cncc(c1)c2ccoc2 271570a_100000757648_100011215275 [0,1,0,1,0,0|1,0,1]=4 1269 B12R2.2 c1cncc(c1)c2ccoc2 271570a_100011218838_100000752921 [0,1,0,1,0,0|1,0,1]=4 1270 B12R2.2 c1cncc(c1)c2ccsc2 271570a_100000757648_100000738268 [0,1,0,1,0,0|1,1,0]=4 1271 B12R2.2 c1cncc(c1)c2ccsc2 271570a_100011934443_100000752921 [0,1,0,1,0,0|1,1,0]=4 1272 B12R2.2 c1cncc(c1)c2cn[nH]c2 271570a_100000041997_100000752921 [0,1,0,1,0,0|2,0,0]=4 1273 B12R2.2 c1cncc(c1)c2cn[nH]c2 271570a_100000757648_100000238712 [0,1,0,1,0,0|2,0,0]=4 1274 B12R2.2 c1cncc(c1)c2cnco2 271570a_100000757648_100020591547 [0,1,0,1,0,0|2,0,0]=4 1275 B12R2.2 c1cncc(c1)c2cncs2 271570a_100000757648_100011934649 [0,1,0,1,0,0|2,0,0]=4 1276 B12R2.2 c1cncc(c1)c2cncs2 271570a_100010231675_100000752921 [0,1,0,1,0,0|2,0,0]=4 1277 B12R2.2 c1cncc(c1)c2cnoc2 271570a_100000757648_100009815712 [0,1,0,1,0,0|1,0,1]=4 1278 B12R2.2 c1cncc(c1)c2cnsc2 271570a_100000757648_100009815736 [0,1,0,1,0,0|1,1,0]=4 1279 B12R2.2 c1cncc(c1)c2cscn2 271570a_100000757648_100000751502 [0,1,0,1,0,0|1,1,0]=4 1280 B12R2.2 c1coc(c1)c2ccncc2 271570a_100000750936_100000035832 [0,1,0,1,0,0|2,0,0]=4 1281 B12R2.2 c1coc(c1)c2ccncc2 271570a_100000752145_100009814098 [0,1,0,1,0,0|2,0,0]=4 1282 B12R2.2 c1csc(c1)c2ccncc2 271570a_100000742291_100000035832 [0,1,0,1,0,0|2,0,0]=4 1283 B12R2.2 c1csc(c1)c2ccncc2 271570a_100000752145_100011215356 [0,1,0,1,0,0|2,0,0]=4 1284 B12R2.1081 Oc1cccc2c1cccc2 271570a_203496583355_100000210605 [0,1,0,1,0,0|2,0,0]=4 1285 B12R2.1081 Oc1ccnc2c1cccc2 271570a_203496583355_100011215880 [0,1,0,1,0,0|2,0,0]=4 1286 B12R2.1081 Oc1cncc2c1cccc2 271570a_203496583355_100000187577 [0,1,0,1,0,0|2,0,0]=4 1287 B12R2.1081 Oc1cnnc2c1cccc2 271570a_203496583355_100000063506 [0,1,0,1,0,0|2,0,0]=4 1288 B12R2.1081 Oc1nccc2c1cccc2 271570a_203496583355_100011934041 [0,1,0,1,0,0|2,0,0]=4 1289 B12R2.1081 Oc1ncnc2c1cccc2 271570a_203496583355_100000217608 [0,1,0,1,0,0|2,0,0]=4 1290 B12R2.2075 C=C(c1ccccc1)C2CC2 271570a_100010895485_100000210277 [0,1,0,1,0,0|1,0,1]=4 1291 B12R2.612 Cc1c[nH]c2c1ccc(c2)O 271570a_203496583355_100010209589 [0,1,0,1,0,0|1,0,1]=4 1292 B12R2.612 Cc1coc2c1ccc(c2)O 271570a_203496583355_100010775837 [0,1,0,1,0,0|0,0,2]=4 1293 B12R2.612 O=C1C=Cc2c1ccc(c2)O 271570a_203496583355_100010210589 [0,1,0,1,0,0|2,0,0]=4 1294 B12R2.132 Cc1c[nH]c2c1cc(cc2)O 271570a_203496583355_100009816687 [0,1,0,1,0,0|1,0,1]=4 1295 B12R2.132 Cc1coc2c1cc(cc2)O 271570a_203496583355_100000728893 [0,1,0,1,0,0|0,0,2]=4 1296 B12R2.132 Cc1csc2c1cc(cc2)O 271570a_203496583355_100009814196 [0,1,0,1,0,0|0,1,1]=4 1297 B12R2.132 Nc1ccc2scc(c2c1)O 271570a_203496583355_100011178648 [0,1,0,1,0,0|1,1,0]=4 1298 B12R2.196 Cc1c[nH]c2c1cccc2O 271570a_203496583355_100010186758 [0,1,0,1,0,0|1,0,1]=4 1299 B12R2.3190 CC(=O)C1Cc2c1cccc2 1458a_200000238571_200000210301 [0,1,0,1,0,0|0,0,2]=4 1300 B12R2.3190 [13CH3]C(=O)C1Cc2c1cccc2 1458a_200000238571_200025704644 [0,1,0,1,0,0|0,0,2]=4 1301 B12R2.203 Cc1c[nH]c2c1c(ccc2)O 271570a_203496583355_100010194227 [0,1,0,1,0,0|1,0,1]=4 1302 B8R1.7 C=C(C)c1ccco1 271570a_100000694244_100009814098 [1,0,0,0,1,0|1,0,1]=4 1303 B8R1.7 C=C(C)c1cccs1 271570a_100000694244_100011215356 [1,0,0,0,1,0|1,0,1]=4 1304 B8R1.7 C=C(C)c1ccoc1 271570a_100000694244_100011215275 [1,0,0,0,1,0|1,0,1]=4 1305 B8R1.7 C=C(C)c1ccsc1 271570a_100000694244_100000738268 [1,0,0,0,1,0|1,0,1]=4 1306 B8R1.8 CC=Cc1ccco1 271570a_100016259895_100009814098 [1,0,0,0,1,0|2,0,0]=4 1307 B8R1.8 CC=Cc1cccs1 271570a_100016259895_100011215356 [1,0,0,0,1,0|2,0,0]=4 1308 B8R1.8 CC=Cc1ccoc1 271570a_100016259895_100011215275 [1,0,0,0,1,0|2,0,0]=4 1309 B8R1.8 CC=Cc1ccsc1 271570a_100016259895_100000738268 [1,0,0,0,1,0|2,0,0]=4 1310 B12R1.27 C=C(C#N)CNc1ccccc1 34a_100000106764_100000694840 [0,0,0,0,0,2|1,0,1]=4 1311 B12R1.27 C=C(C#N)COc1ccccc1 34a_100000210340_100000694840 [0,0,0,0,0,2|1,0,1]=4 1312 B12R1.27 C=C(C#N)CSc1ccccc1 62a_100000719477_100000694840 [0,0,0,0,0,2|1,0,1]=4 1313 B12R1.27 C=CC(=NNc1ccccc1)C 4a_100015195140_200015361842 [0,0,0,0,0,2|1,0,1]=4 1314 B12R1.27 C=CC(=O)CCc1ccccc1 1458a_100000185746_100000765856 [0,0,0,0,0,2|2,0,0]=4 1315 B12R1.27 C=CC(=O)NCc1ccccc1 1626a_100015324214_100000185746 [0,0,0,0,0,2|2,0,0]=4 1316 B12R1.27 C=CC(=O)NCc1ccccc1 240690a_100015324214_200121576911 [0,0,0,0,0,2|2,0,0]=4 1317 B12R1.27 C=CC(=O)NNc1ccccc1 22a_100015195140_100000185746 [0,0,0,0,0,2|2,0,0]=4