0 B10R1.15 CC(N[13CH3])c1ccccn1 2230a_100000181244_200025704644 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.15 CC(N[13CH3])c1cccnc1 2230a_100000195435_200025704644 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.15 CC(N[13CH3])c1ccncc1 2230a_100000181269_200025704644 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.15 CC(S[13CH3])c1ccccc1 62a_100000230085_200025704644 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.15 CC(S[13CH3])c1ccccc1 62a_200025704644_100000230085 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.15 CCC(=O)c1ccccc1 1458a_100000185807_100000210202 [0,0,0,0,0,0|2,0,0]=2 6 B10R1.15 CCN(C)c1ccccc1 2230a_100000210012_100000210202 [0,0,0,0,0,0|4,0,0]=4 7 B10R1.15 CCN(C)c1ccccc1 2230a_100000210013_200000210301 [0,0,0,0,0,0|4,0,0]=4 8 B10R1.15 CCN(C)c1ccccc1 269982a_100000210012_100000204670 [0,0,0,0,0,0|4,0,0]=4 9 B10R1.15 CCN(C)c1ccccc1 269982a_100000210013_200000210301 [0,0,0,0,0,0|4,0,0]=4 10 B10R1.15 CCN(C)c1ccccc1 34a_100000210012_100000210202 [0,0,0,0,0,0|4,0,0]=4 11 B10R1.15 CCN(C)c1ccccc1 34a_100000210013_200000210301 [0,0,0,0,0,0|4,0,0]=4 12 B10R1.15 CCN([13CH3])c1ccccc1 2230a_100000210013_200025704644 [0,0,0,0,0,0|4,0,0]=4 13 B10R1.15 CCN([13CH3])c1ccccc1 269982a_100000210013_200025704644 [0,0,0,0,0,0|4,0,0]=4 14 B10R1.15 CCN([13CH3])c1ccccc1 34a_100000210013_200025704644 [0,0,0,0,0,0|4,0,0]=4 15 B10R1.15 CN(CF)c1ccccc1 269982a_100000210012_100015361967 [0,0,0,0,0,0|4,0,0]=4 16 B10R1.15 CN(CF)c1ccccc1 34a_100000210012_100015361967 [0,0,0,0,0,0|4,0,0]=4 17 B10R1.15 CNC(=O)c1ccccc1 11a_106832991635_100000185807 [0,0,0,0,0,0|1,0,0]=1 18 B10R1.15 CNC(=O)c1ccccc1 1626a_100102657272_100000185807 [0,0,0,0,0,0|1,0,0]=1 19 B10R1.15 CNC(=O)c1ccccc1 240690a_100102657272_100000185807 [0,0,0,0,0,0|1,0,0]=1 20 B10R1.15 CNC(=O)c1ccccc1 527a_100102657272_100000185807 [0,0,0,0,0,0|1,0,0]=1 21 B10R1.15 CNC(C)c1ccccc1 2230a_106832991635_100000230085 [0,0,0,0,0,0|2,0,1]=3 22 B10R1.15 CNC(C)c1ccccc1 269862a_106832991636_100000185851 [0,0,0,0,0,0|2,0,1]=3 23 B10R1.15 CNC(C)c1ccccc1 34a_100102657272_100000211855 [0,0,0,0,0,0|2,0,1]=3 24 B10R1.15 CNC(C)c1ccccc1 7a_106832991635_100000230085 [0,0,0,0,0,0|2,0,1]=3 25 B10R1.15 CNC(C)c1ccccn1 2230a_100000181244_200000210301 [0,0,0,0,0,0|3,0,1]=4 26 B10R1.15 CNC(C)c1ccccn1 269862a_106832991636_100000210467 [0,0,0,0,0,0|3,0,1]=4 27 B10R1.15 CNC(C)c1cccnc1 2230a_100000195435_200000210301 [0,0,0,0,0,0|3,0,1]=4 28 B10R1.15 CNC(C)c1cccnc1 269862a_106832991636_100000210468 [0,0,0,0,0,0|3,0,1]=4 29 B10R1.15 CNC(C)c1ccncc1 2230a_100000181269_200000210301 [0,0,0,0,0,0|3,0,1]=4 30 B10R1.15 CNC(C)c1ccncc1 269862a_106832991636_100000185792 [0,0,0,0,0,0|3,0,1]=4 31 B10R1.15 CN[C@H](C)c1ccccc1 2230a_100000751104_200000210301 [0,0,0,0,0,0|2,0,1]=3 32 B10R1.15 COC(C)c1ccccc1 34a_100138415774_100000211855 [0,0,0,0,0,0|3,0,1]=4 33 B10R1.15 CO[C@H](C)c1ccccc1 34a_100000761318_200000210301 [0,0,0,0,0,0|3,0,1]=4 34 B10R1.15 CO[C@H](C)c1ccccc1 7a_100000761318_200000210301 [0,0,0,0,0,0|3,0,1]=4 35 B10R1.15 CSC(C)c1ccccc1 62a_100000230085_200000210301 [0,0,0,0,0,0|3,0,1]=4 36 B10R1.15 CSC(C)c1ccccc1 62a_200000210301_100000230085 [0,0,0,0,0,0|3,0,1]=4 37 B10R1.15 C[C@@H](N[13CH3])c1ccccc1 2230a_100000751104_200025704644 [0,0,0,0,0,0|2,0,1]=3 38 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 34a_100000761318_200025704644 [0,0,0,0,0,0|3,0,1]=4 39 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 7a_100000761318_200025704644 [0,0,0,0,0,0|3,0,1]=4 40 B10R1.15 O=C(CF)c1ccccc1 1458a_100000185807_100015361967 [0,0,0,0,0,0|2,0,0]=2 41 B9R1.6 C=C(C)c1ccccc1 271570a_100000694244_100000210277 [1,0,0,0,0,0|2,0,0]=3 42 B9R1.6 C=C(C)c1ccccn1 271570a_100000694244_100011216584 [1,0,0,0,0,0|3,0,0]=4 43 B9R1.6 C=C(C)c1cccnc1 271570a_100000694244_100000752921 [1,0,0,0,0,0|3,0,0]=4 44 B9R1.6 C=C(C)c1ccncc1 271570a_100000694244_100000035832 [1,0,0,0,0,0|3,0,0]=4 45 B9R1.6 CC(=O)c1ccccc1 1458a_100000185807_200000210301 [1,0,0,0,0,0|1,0,0]=2 46 B9R1.6 CN(C)c1ccccc1 2230a_100000210012_200000210301 [1,0,0,0,0,0|3,0,0]=4 47 B9R1.6 CN(C)c1ccccc1 269982a_100000210012_200000210301 [1,0,0,0,0,0|3,0,0]=4 48 B9R1.6 CN(C)c1ccccc1 34a_100000210012_200000210301 [1,0,0,0,0,0|3,0,0]=4 49 B9R1.6 CN([13CH3])c1ccccc1 2230a_100000210012_200025704644 [1,0,0,0,0,0|3,0,0]=4 50 B9R1.6 CN([13CH3])c1ccccc1 269982a_100000210012_200025704644 [1,0,0,0,0,0|3,0,0]=4 51 B9R1.6 CN([13CH3])c1ccccc1 34a_100000210012_200025704644 [1,0,0,0,0,0|3,0,0]=4 52 B9R1.6 [13CH3]C(=O)c1ccccc1 1458a_100000185807_200025704644 [1,0,0,0,0,0|1,0,0]=2 53 B9R1.8 C=C=Cc1ccccc1 271570a_100015277604_100000210277 [1,0,0,0,0,0|2,0,0]=3 54 B9R1.8 C=C=Cc1ccccn1 271570a_100015277604_100011216584 [1,0,0,0,0,0|3,0,0]=4 55 B9R1.8 C=C=Cc1cccnc1 271570a_100015277604_100000752921 [1,0,0,0,0,0|3,0,0]=4 56 B9R1.8 C=C=Cc1ccncc1 271570a_100015277604_100000035832 [1,0,0,0,0,0|3,0,0]=4 57 B9R1.8 CC=Cc1ccccc1 271570a_100016259895_100000210277 [1,0,0,0,0,0|2,0,0]=3 58 B9R1.8 CC=Cc1ccccn1 271570a_100016259895_100011216584 [1,0,0,0,0,0|3,0,0]=4 59 B9R1.8 CC=Cc1cccnc1 271570a_100016259895_100000752921 [1,0,0,0,0,0|3,0,0]=4 60 B9R1.8 CC=Cc1ccncc1 271570a_100016259895_100000035832 [1,0,0,0,0,0|3,0,0]=4 61 B9R1.8 CCNc1ccccc1 34a_100000106764_100000210202 [1,0,0,0,0,0|3,0,0]=4 62 B9R1.8 CCOc1ccccc1 34a_100000210340_100000210202 [1,0,0,0,0,0|3,0,0]=4 63 B9R1.8 CCOc1ccccc1 7a_100000210340_100000210202 [1,0,0,0,0,0|3,0,0]=4 64 B9R1.8 CCSc1ccccc1 62a_100000210202_100000041952 [1,0,0,0,0,0|3,0,0]=4 65 B9R1.8 CCSc1ccccc1 62a_100000719477_100000210202 [1,0,0,0,0,0|3,0,0]=4 66 B9R1.8 CNCc1ccccc1 207a_100102657272_100015611070 [1,0,0,0,0,0|1,0,1]=3 67 B9R1.8 CNCc1ccccc1 2230a_100015324214_200000210301 [1,0,0,0,0,0|1,0,1]=3 68 B9R1.8 CNCc1ccccc1 2230a_106832991635_100015291786 [1,0,0,0,0,0|1,0,1]=3 69 B9R1.8 CNCc1ccccc1 270004a_106832991635_100015611070 [1,0,0,0,0,0|1,0,1]=3 70 B9R1.8 CNCc1ccccc1 34a_100015324214_200000210301 [1,0,0,0,0,0|1,0,1]=3 71 B9R1.8 CNCc1ccccc1 34a_100102657272_100015291786 [1,0,0,0,0,0|1,0,1]=3 72 B9R1.8 CNCc1ccccc1 7a_106832991635_100000211182 [1,0,0,0,0,0|1,0,1]=3 73 B9R1.8 CNCc1ccccn1 207a_100102657272_100000209966 [1,0,0,0,0,0|2,0,1]=4 74 B9R1.8 CNCc1ccccn1 2230a_106832991635_100000721315 [1,0,0,0,0,0|2,0,1]=4 75 B9R1.8 CNCc1ccccn1 270004a_106832991635_100000209966 [1,0,0,0,0,0|2,0,1]=4 76 B9R1.8 CNCc1ccccn1 34a_100102657272_100000721315 [1,0,0,0,0,0|2,0,1]=4 77 B9R1.8 CNCc1ccccn1 7a_106832991635_100000721315 [1,0,0,0,0,0|2,0,1]=4 78 B9R1.8 CNCc1cccnc1 207a_100102657272_100000209961 [1,0,0,0,0,0|2,0,1]=4 79 B9R1.8 CNCc1cccnc1 2230a_106832991635_100000741622 [1,0,0,0,0,0|2,0,1]=4 80 B9R1.8 CNCc1cccnc1 270004a_106832991635_100000209961 [1,0,0,0,0,0|2,0,1]=4 81 B9R1.8 CNCc1cccnc1 34a_100102657272_100000733263 [1,0,0,0,0,0|2,0,1]=4 82 B9R1.8 CNCc1cccnc1 7a_106832991635_100000741622 [1,0,0,0,0,0|2,0,1]=4 83 B9R1.8 CNCc1ccncc1 207a_100102657272_100000186114 [1,0,0,0,0,0|2,0,1]=4 84 B9R1.8 CNCc1ccncc1 2230a_106832991635_100015193705 [1,0,0,0,0,0|2,0,1]=4 85 B9R1.8 CNCc1ccncc1 7a_106832991635_100015193705 [1,0,0,0,0,0|2,0,1]=4 86 B9R1.8 COCc1ccccc1 34a_100000210790_200000210301 [1,0,0,0,0,0|2,0,1]=4 87 B9R1.8 COCc1ccccc1 34a_100138415774_100015291786 [1,0,0,0,0,0|2,0,1]=4 88 B9R1.8 COCc1ccccc1 7a_100000210790_200000210301 [1,0,0,0,0,0|2,0,1]=4 89 B9R1.8 CSCc1ccccc1 62a_100000211182_200000210301 [1,0,0,0,0,0|2,0,1]=4 90 B9R1.8 CSCc1ccccc1 62a_200000210301_100015291786 [1,0,0,0,0,0|2,0,1]=4 91 B9R1.8 FCNc1ccccc1 34a_100000106764_100015361967 [1,0,0,0,0,0|3,0,0]=4 92 B9R1.8 FCOc1ccccc1 34a_100000210340_100015361967 [1,0,0,0,0,0|3,0,0]=4 93 B9R1.8 FCOc1ccccc1 7a_100000210340_100015361967 [1,0,0,0,0,0|3,0,0]=4 94 B9R1.8 FCSc1ccccc1 62a_100000719477_100015361967 [1,0,0,0,0,0|3,0,0]=4 95 B9R1.8 FCSc1ccccc1 62a_100015361967_100000041952 [1,0,0,0,0,0|3,0,0]=4 96 B9R1.8 [13CH3]NCc1ccccc1 2230a_100015324214_200025704644 [1,0,0,0,0,0|1,0,1]=3 97 B9R1.8 [13CH3]NCc1ccccc1 34a_100015324214_200025704644 [1,0,0,0,0,0|1,0,1]=3 98 B9R1.8 [13CH3]OCc1ccccc1 34a_100000210790_200025704644 [1,0,0,0,0,0|2,0,1]=4 99 B9R1.8 [13CH3]OCc1ccccc1 7a_100000210790_200025704644 [1,0,0,0,0,0|2,0,1]=4 100 B9R1.8 [13CH3]SCc1ccccc1 62a_100000211182_200025704644 [1,0,0,0,0,0|2,0,1]=4 101 B9R1.8 [13CH3]SCc1ccccc1 62a_200025704644_100015291786 [1,0,0,0,0,0|2,0,1]=4 102 B11R1.7 CC(C)(N[13CH3])c1ccccc1 2230a_100011218174_200025704644 [0,1,0,0,0,0|2,0,1]=4 103 B11R1.7 CNC(C)(C)c1ccccc1 2230a_100011218174_200000210301 [0,1,0,0,0,0|2,0,1]=4 104 B11R1.7 CNC(C)(C)c1ccccc1 2230a_106832991635_100000034625 [0,1,0,0,0,0|2,0,1]=4 105 B11R1.7 CNC(F)(F)c1ccccc1 7a_106832991635_100000036403 [0,1,0,0,0,0|2,0,1]=4 106 B11R1.7 CNS(=O)(=O)c1ccccc1 270084a_100102657272_100000210345 [0,1,0,0,0,0|2,0,0]=3 107 B11R1.7 CNS(=O)(=O)c1ccccc1 274078a_100102657272_100000210345 [0,1,0,0,0,0|2,0,0]=3 108 B11R1.7 CNS(=O)(=O)c1ccccc1 40a_100102657272_100000032697 [0,1,0,0,0,0|2,0,0]=3 109 B11R1.7 CNS(=O)(=O)c1ccccn1 270084a_100102657272_100016994956 [0,1,0,0,0,0|3,0,0]=4 110 B11R1.7 CNS(=O)(=O)c1ccccn1 274078a_100102657272_100016994956 [0,1,0,0,0,0|3,0,0]=4 111 B11R1.7 CNS(=O)(=O)c1ccccn1 40a_100102657272_100000070048 [0,1,0,0,0,0|3,0,0]=4 112 B11R1.7 CNS(=O)(=O)c1cccnc1 270084a_100102657272_100000736704 [0,1,0,0,0,0|3,0,0]=4 113 B11R1.7 CNS(=O)(=O)c1cccnc1 274078a_100102657272_100000736704 [0,1,0,0,0,0|3,0,0]=4 114 B11R1.12 C=CC(NC)c1ccccc1 2230a_106832991635_200000085779 [0,1,0,0,0,0|2,0,1]=4 115 B11R1.12 CCC(NC)c1ccccc1 2230a_100000737752_200000210301 [0,1,0,0,0,0|2,0,1]=4 116 B11R1.12 CCC(NC)c1ccccc1 269862a_106832991636_100000210124 [0,1,0,0,0,0|2,0,1]=4 117 B11R1.12 CCC(N[13CH3])c1ccccc1 2230a_100000737752_200025704644 [0,1,0,0,0,0|2,0,1]=4 118 B11R1.12 CN[C@H](CO)c1ccccc1 2230a_100000751927_200000210301 [0,1,0,0,0,0|1,0,2]=4 119 B11R1.12 CN[C@H](CO)c1ccccc1 34a_100000751927_200000210301 [0,1,0,0,0,0|1,0,2]=4 120 B11R1.12 [13CH3]N[C@H](CO)c1ccccc1 2230a_100000751927_200025704644 [0,1,0,0,0,0|1,0,2]=4 121 B11R1.12 [13CH3]N[C@H](CO)c1ccccc1 34a_100000751927_200025704644 [0,1,0,0,0,0|1,0,2]=4 122 B11R1.16 C#CCC(=O)c1ccccc1 1458a_100000185807_100000184674 [0,1,0,0,0,0|2,0,0]=3 123 B11R1.16 C=CCC(=O)c1ccccc1 1458a_100000185807_100000210623 [0,1,0,0,0,0|2,0,0]=3 124 B11R1.16 CC(CN[13CH3])c1ccccc1 2230a_100000701038_200025704644 [0,1,0,0,0,0|2,0,1]=4 125 B11R1.16 CC(CN[13CH3])c1ccccc1 34a_100000701038_200025704644 [0,1,0,0,0,0|2,0,1]=4 126 B11R1.16 CC(CO[13CH3])c1ccccc1 34a_100011215166_200025704644 [0,1,0,0,0,0|2,0,1]=4 127 B11R1.16 CC(CO[13CH3])c1ccccc1 7a_100011215166_200025704644 [0,1,0,0,0,0|2,0,1]=4 128 B11R1.16 CCCC(=O)c1ccccc1 1458a_100000185807_100000210303 [0,1,0,0,0,0|2,0,0]=3 129 B11R1.16 CCNC(=O)c1ccccc1 11a_100015525214_100000185807 [0,1,0,0,0,0|1,0,0]=2 130 B11R1.16 CCNC(=O)c1ccccc1 240690a_100015525214_100000185807 [0,1,0,0,0,0|1,0,0]=2 131 B11R1.16 CCNC(=O)c1ccccc1 527a_100015525214_100000185807 [0,1,0,0,0,0|1,0,0]=2 132 B11R1.16 CCNC(C)c1ccccc1 2230a_100015525214_100000230085 [0,1,0,0,0,0|2,0,1]=4 133 B11R1.16 CCNC(C)c1ccccc1 269862a_100015525214_100000185851 [0,1,0,0,0,0|2,0,1]=4 134 B11R1.16 CCN[C@H](C)c1ccccc1 2230a_100000751104_100000210202 [0,1,0,0,0,0|2,0,1]=4 135 B11R1.16 CN(CCO)c1ccccc1 2230a_100000210012_100000211926 [0,1,0,0,0,0|3,0,0]=4 136 B11R1.16 CN(CCO)c1ccccc1 2230a_100000211345_200000210301 [0,1,0,0,0,0|3,0,0]=4 137 B11R1.16 CN(CCO)c1ccccc1 269982a_100000210012_100000211926 [0,1,0,0,0,0|3,0,0]=4 138 B11R1.16 CN(CCO)c1ccccc1 269982a_100000211345_200000210301 [0,1,0,0,0,0|3,0,0]=4 139 B11R1.16 CN(CCO)c1ccccc1 34a_100000210012_100000211926 [0,1,0,0,0,0|3,0,0]=4 140 B11R1.16 CN(CCO)c1ccccc1 34a_100000211345_200000210301 [0,1,0,0,0,0|3,0,0]=4 141 B11R1.16 CNCC(=O)c1ccccc1 7a_106832991635_100000211460 [0,1,0,0,0,0|1,0,0]=2 142 B11R1.16 CNCC(=O)c1ccccn1 34a_100102657272_100000027445 [0,1,0,0,0,0|2,0,0]=3 143 B11R1.16 CNCC(=O)c1ccccn1 7a_106832991635_100000027445 [0,1,0,0,0,0|2,0,0]=3 144 B11R1.16 CNCC(=O)c1ccncc1 7a_106832991635_100015248511 [0,1,0,0,0,0|2,0,0]=3 145 B11R1.16 CNCC(C)c1ccccc1 2230a_100000701038_200000210301 [0,1,0,0,0,0|2,0,1]=4 146 B11R1.16 CNCC(C)c1ccccc1 2230a_106832991635_100000756946 [0,1,0,0,0,0|2,0,1]=4 147 B11R1.16 CNCC(C)c1ccccc1 270004a_106832991635_100000212034 [0,1,0,0,0,0|2,0,1]=4 148 B11R1.16 CNCC(C)c1ccccc1 34a_100000701038_200000210301 [0,1,0,0,0,0|2,0,1]=4 149 B11R1.16 CNCC(C)c1ccccc1 34a_100102657272_100000756946 [0,1,0,0,0,0|2,0,1]=4 150 B11R1.16 CNCC(C)c1ccccc1 7a_106832991635_100000756946 [0,1,0,0,0,0|2,0,1]=4 151 B11R1.16 CNCC(O)c1ccccc1 2230a_100000210709_200000210301 [0,1,0,0,0,0|1,0,2]=4 152 B11R1.16 CNCC(O)c1ccccc1 2230a_106832991635_100000185958 [0,1,0,0,0,0|1,0,2]=4 153 B11R1.16 CNCC(O)c1ccccc1 34a_100102657272_100000185958 [0,1,0,0,0,0|1,0,2]=4 154 B11R1.16 CNCC(O)c1ccccc1 7a_106832991635_100000185958 [0,1,0,0,0,0|1,0,2]=4 155 B11R1.16 CNC[C@@H](O)c1ccccc1 2230a_106832991635_100011933945 [0,1,0,0,0,0|1,0,2]=4 156 B11R1.16 CNC[C@@H](O)c1ccccc1 34a_100102657272_100011933945 [0,1,0,0,0,0|1,0,2]=4 157 B11R1.16 CNC[C@@H](O)c1ccccc1 7a_106832991635_100011933945 [0,1,0,0,0,0|1,0,2]=4 158 B11R1.16 CNNC(=O)c1ccccc1 22a_100016993582_100000185807 [0,1,0,0,0,0|1,0,0]=2 159 B11R1.16 COCC(=O)c1ccccn1 34a_100138415774_100000027445 [0,1,0,0,0,0|2,0,0]=3 160 B11R1.16 COCC(C)c1ccccc1 34a_100011215166_200000210301 [0,1,0,0,0,0|2,0,1]=4 161 B11R1.16 COCC(C)c1ccccc1 34a_100138415774_100000756946 [0,1,0,0,0,0|2,0,1]=4 162 B11R1.16 COCC(C)c1ccccc1 7a_100011215166_200000210301 [0,1,0,0,0,0|2,0,1]=4 163 B11R1.16 COCC(O)c1ccccc1 34a_100138415774_100000185958 [0,1,0,0,0,0|1,0,2]=4 164 B11R1.16 COCN(C)c1ccccc1 2230a_100000210012_100000766300 [0,1,0,0,0,0|3,0,0]=4 165 B11R1.16 COCN(C)c1ccccc1 269982a_100000210012_100000766300 [0,1,0,0,0,0|3,0,0]=4 166 B11R1.16 COC[C@@H](N)c1ccccc1 34a_100000751927_200000210301 [0,1,0,0,0,0|2,0,1]=4 167 B11R1.16 COC[C@@H](O)c1ccccc1 34a_100138415774_100011933945 [0,1,0,0,0,0|1,0,2]=4 168 B11R1.16 CSCC(=O)c1ccccc1 62a_100000211460_200000210301 [0,1,0,0,0,0|1,1,0]=3 169 B11R1.16 CSCC(=O)c1ccccc1 62a_200000210301_100000211460 [0,1,0,0,0,0|1,1,0]=3 170 B11R1.16 CSCC(=O)c1ccccn1 62a_100000027445_200000210301 [0,1,0,0,0,0|2,1,0]=4 171 B11R1.16 CSCC(=O)c1ccccn1 62a_200000210301_100000027445 [0,1,0,0,0,0|2,1,0]=4 172 B11R1.16 CSCC(=O)c1cccnc1 62a_100000757877_200000210301 [0,1,0,0,0,0|2,1,0]=4 173 B11R1.16 CSCC(=O)c1cccnc1 62a_200000210301_100000757877 [0,1,0,0,0,0|2,1,0]=4 174 B11R1.16 CSCC(=O)c1ccncc1 62a_100000027454_200000210301 [0,1,0,0,0,0|2,1,0]=4 175 B11R1.16 CSCC(=O)c1ccncc1 62a_200000210301_100000027454 [0,1,0,0,0,0|2,1,0]=4 176 B11R1.16 CSCS(=O)c1ccccc1 62a_200000210301_100000031784 [0,1,0,0,0,0|2,1,0]=4 177 B11R1.16 N#CCC(=O)c1ccccc1 1458a_100000185807_100011214920 [0,1,0,0,0,0|2,0,0]=3 178 B11R1.16 O=C(CCF)c1ccccc1 1458a_100000185807_100011217306 [0,1,0,0,0,0|2,0,0]=3 179 B11R1.16 O=C(CCO)c1ccccc1 1458a_100000185807_100000211926 [0,1,0,0,0,0|1,0,0]=2 180 B11R1.16 [13CH3]N(CCO)c1ccccc1 2230a_100000211345_200025704644 [0,1,0,0,0,0|3,0,0]=4 181 B11R1.16 [13CH3]N(CCO)c1ccccc1 269982a_100000211345_200025704644 [0,1,0,0,0,0|3,0,0]=4 182 B11R1.16 [13CH3]N(CCO)c1ccccc1 34a_100000211345_200025704644 [0,1,0,0,0,0|3,0,0]=4 183 B11R1.16 [13CH3]NCC(O)c1ccccc1 2230a_100000210709_200025704644 [0,1,0,0,0,0|1,0,2]=4 184 B11R1.16 [13CH3]OC[C@@H](N)c1ccccc1 34a_100000751927_200025704644 [0,1,0,0,0,0|2,0,1]=4 185 B11R1.16 [13CH3]SCC(=O)c1ccccc1 62a_100000211460_200025704644 [0,1,0,0,0,0|1,1,0]=3 186 B11R1.16 [13CH3]SCC(=O)c1ccccc1 62a_200025704644_100000211460 [0,1,0,0,0,0|1,1,0]=3 187 B11R1.16 [13CH3]SCC(=O)c1ccccn1 62a_100000027445_200025704644 [0,1,0,0,0,0|2,1,0]=4 188 B11R1.16 [13CH3]SCC(=O)c1ccccn1 62a_200025704644_100000027445 [0,1,0,0,0,0|2,1,0]=4 189 B11R1.16 [13CH3]SCC(=O)c1cccnc1 62a_100000757877_200025704644 [0,1,0,0,0,0|2,1,0]=4 190 B11R1.16 [13CH3]SCC(=O)c1cccnc1 62a_200025704644_100000757877 [0,1,0,0,0,0|2,1,0]=4 191 B11R1.16 [13CH3]SCC(=O)c1ccncc1 62a_100000027454_200025704644 [0,1,0,0,0,0|2,1,0]=4 192 B11R1.16 [13CH3]SCC(=O)c1ccncc1 62a_200025704644_100000027454 [0,1,0,0,0,0|2,1,0]=4 193 B11R1.16 [13CH3]SCS(=O)c1ccccc1 62a_200025704644_100000031784 [0,1,0,0,0,0|2,1,0]=4 194 B11R1.22 CCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000210202 [0,1,0,0,0,0|2,0,0]=3 195 B11R1.22 CCC(=O)c1ccc(cc1)C 1458a_100000188618_100000210202 [0,1,0,0,0,0|2,0,0]=3 196 B11R1.22 CCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000210202 [0,1,0,0,0,0|2,0,0]=3 197 B11R1.22 CCC(=O)c1ccc(cc1)F 1458a_100000187176_100000210202 [0,1,0,0,0,0|2,0,0]=3 198 B11R1.22 CCC(=O)c1ccc(cc1)I 1458a_100000187904_100000210202 [0,1,0,0,0,0|2,0,0]=3 199 B11R1.22 CCC(=O)c1ccc(cc1)O 1458a_100000212099_100000210202 [0,1,0,0,0,0|2,0,0]=3 200 B11R1.22 CCC(=O)c1ccc(cc1)O 271570a_203496583355_100000211647 [0,1,0,0,0,0|2,0,0]=3 201 B11R1.22 CCC(=O)c1ccc(cn1)O 271570a_203496583355_100012351654 [0,1,0,0,0,0|3,0,0]=4 202 B11R1.22 CNC(=O)c1ccc(cc1)Br 11a_106832991635_100000185839 [0,1,0,0,0,0|1,0,0]=2 203 B11R1.22 CNC(=O)c1ccc(cc1)Br 1626a_100102657272_100000185839 [0,1,0,0,0,0|1,0,0]=2 204 B11R1.22 CNC(=O)c1ccc(cc1)Br 240690a_100102657272_100000185839 [0,1,0,0,0,0|1,0,0]=2 205 B11R1.22 CNC(=O)c1ccc(cc1)Br 527a_100102657272_100000185839 [0,1,0,0,0,0|1,0,0]=2 206 B11R1.22 CNC(=O)c1ccc(cc1)C 11a_106832991635_100000188618 [0,1,0,0,0,0|1,0,0]=2 207 B11R1.22 CNC(=O)c1ccc(cc1)C 1626a_100102657272_100000188618 [0,1,0,0,0,0|1,0,0]=2 208 B11R1.22 CNC(=O)c1ccc(cc1)C 240690a_100102657272_100000188618 [0,1,0,0,0,0|1,0,0]=2 209 B11R1.22 CNC(=O)c1ccc(cc1)C 527a_100102657272_100000188618 [0,1,0,0,0,0|1,0,0]=2 210 B11R1.22 CNC(=O)c1ccc(cc1)Cl 11a_106832991635_100000210187 [0,1,0,0,0,0|1,0,0]=2 211 B11R1.22 CNC(=O)c1ccc(cc1)Cl 1626a_100102657272_100000210187 [0,1,0,0,0,0|1,0,0]=2 212 B11R1.22 CNC(=O)c1ccc(cc1)Cl 240690a_100102657272_100000210187 [0,1,0,0,0,0|1,0,0]=2 213 B11R1.22 CNC(=O)c1ccc(cc1)Cl 527a_100102657272_100000210187 [0,1,0,0,0,0|1,0,0]=2 214 B11R1.22 CNC(=O)c1ccc(cc1)F 11a_106832991635_100000187176 [0,1,0,0,0,0|1,0,0]=2 215 B11R1.22 CNC(=O)c1ccc(cc1)F 1626a_100102657272_100000187176 [0,1,0,0,0,0|1,0,0]=2 216 B11R1.22 CNC(=O)c1ccc(cc1)F 240690a_100102657272_100000187176 [0,1,0,0,0,0|1,0,0]=2 217 B11R1.22 CNC(=O)c1ccc(cc1)F 527a_100102657272_100000187176 [0,1,0,0,0,0|1,0,0]=2 218 B11R1.22 CNC(=O)c1ccc(cc1)I 11a_106832991635_100000187904 [0,1,0,0,0,0|1,0,0]=2 219 B11R1.22 CNC(=O)c1ccc(cc1)I 1626a_100102657272_100000187904 [0,1,0,0,0,0|1,0,0]=2 220 B11R1.22 CNC(=O)c1ccc(cc1)I 240690a_100102657272_100000187904 [0,1,0,0,0,0|1,0,0]=2 221 B11R1.22 CNC(=O)c1ccc(cc1)I 527a_100102657272_100000187904 [0,1,0,0,0,0|1,0,0]=2 222 B11R1.22 CNC(=O)c1ccc(cc1)O 240690a_100102657272_100000212099 [0,1,0,0,0,0|1,0,0]=2 223 B11R1.22 CNC(=O)c1ccc(cc1)O 271570a_203496583355_100000155074 [0,1,0,0,0,0|1,0,0]=2 224 B11R1.22 CNC(=O)c1ccc(cc1)O 527a_100102657272_100000212099 [0,1,0,0,0,0|1,0,0]=2 225 B11R1.22 CNC(=O)c1ccc(cn1)O 271570a_203496583355_100011781262 [0,1,0,0,0,0|2,0,0]=3 226 B11R1.22 CNC(=O)c1ccc(nc1)O 271570a_203496583355_100000159860 [0,1,0,0,0,0|2,0,0]=3 227 B11R1.22 CNC(=O)c1ncc(cn1)O 271570a_203496583355_200010127873 [0,1,0,0,0,0|3,0,0]=4 228 B11R1.22 CNC(C)c1ccc(cc1)Br 2230a_106832991635_100000755118 [0,1,0,0,0,0|2,0,1]=4 229 B11R1.22 CNC(C)c1ccc(cc1)Br 269862a_106832991636_100000185794 [0,1,0,0,0,0|2,0,1]=4 230 B11R1.22 CNC(C)c1ccc(cc1)Br 34a_100102657272_100000755118 [0,1,0,0,0,0|2,0,1]=4 231 B11R1.22 CNC(C)c1ccc(cc1)C 2230a_106832991635_100011261388 [0,1,0,0,0,0|2,0,1]=4 232 B11R1.22 CNC(C)c1ccc(cc1)C 269862a_106832991636_100000185793 [0,1,0,0,0,0|2,0,1]=4 233 B11R1.22 CNC(C)c1ccc(cc1)C 34a_100102657272_100011261388 [0,1,0,0,0,0|2,0,1]=4 234 B11R1.22 CNC(C)c1ccc(cc1)C 7a_106832991635_100011261388 [0,1,0,0,0,0|2,0,1]=4 235 B11R1.22 CNC(C)c1ccc(cc1)Cl 2230a_106832991635_100000684792 [0,1,0,0,0,0|2,0,1]=4 236 B11R1.22 CNC(C)c1ccc(cc1)Cl 269862a_106832991636_100000185797 [0,1,0,0,0,0|2,0,1]=4 237 B11R1.22 CNC(C)c1ccc(cc1)Cl 7a_106832991635_100000684792 [0,1,0,0,0,0|2,0,1]=4 238 B11R1.22 CNC(C)c1ccc(cc1)F 2230a_106832991635_100000743420 [0,1,0,0,0,0|2,0,1]=4 239 B11R1.22 CNC(C)c1ccc(cc1)F 269862a_106832991636_100000185800 [0,1,0,0,0,0|2,0,1]=4 240 B11R1.22 CNC(C)c1ccc(cc1)F 34a_100102657272_100000743420 [0,1,0,0,0,0|2,0,1]=4 241 B11R1.22 CNC(C)c1ccc(cc1)F 7a_106832991635_100000743420 [0,1,0,0,0,0|2,0,1]=4 242 B11R1.22 CNC(C)c1ccc(cc1)I 269862a_106832991636_100000185465 [0,1,0,0,0,0|2,0,1]=4 243 B11R1.22 CNC(C)c1ccc(cc1)O 271570a_203496583355_100000231103 [0,1,0,0,0,0|2,0,1]=4 244 B11R1.22 CN[C@@H](C)c1ccc(cc1)F 2230a_100025705893_200000210301 [0,1,0,0,0,0|2,0,1]=4 245 B11R1.22 CN[C@@H](C)c1ccc(cc1)F 34a_100025705893_200000210301 [0,1,0,0,0,0|2,0,1]=4 246 B11R1.22 CN[C@@H](C)c1ccc(cc1)I 2230a_100000753911_200000210301 [0,1,0,0,0,0|2,0,1]=4 247 B11R1.22 CN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_200000210301 [0,1,0,0,0,0|2,0,1]=4 248 B11R1.22 CN[C@H](C)c1ccc(cc1)Br 2230a_100000720352_200000210301 [0,1,0,0,0,0|2,0,1]=4 249 B11R1.22 CN[C@H](C)c1ccc(cc1)C 2230a_100016988085_200000210301 [0,1,0,0,0,0|2,0,1]=4 250 B11R1.22 CN[C@H](C)c1ccc(cc1)C 34a_100016988085_200000210301 [0,1,0,0,0,0|2,0,1]=4 251 B11R1.22 CN[C@H](C)c1ccc(cc1)Cl 2230a_100015205461_200000210301 [0,1,0,0,0,0|2,0,1]=4 252 B11R1.22 CN[C@H](C)c1ccc(cc1)Cl 34a_100015205461_200000210301 [0,1,0,0,0,0|2,0,1]=4 253 B11R1.22 COC(=O)c1ccc(cc1)O 271570a_203496583355_100000150774 [0,1,0,0,0,0|2,0,0]=3 254 B11R1.22 COC(=O)c1ccc(cn1)O 271570a_203496583355_100000690920 [0,1,0,0,0,0|3,0,0]=4 255 B11R1.22 COC(=O)c1ccc(nc1)O 271570a_203496583355_100000733799 [0,1,0,0,0,0|3,0,0]=4 256 B11R1.22 C[C@@H](N[13CH3])c1ccc(cc1)Br 2230a_100000720352_200025704644 [0,1,0,0,0,0|2,0,1]=4 257 B11R1.22 C[C@@H](N[13CH3])c1ccc(cc1)Cl 2230a_100015205461_200025704644 [0,1,0,0,0,0|2,0,1]=4 258 B11R1.22 C[C@@H](N[13CH3])c1ccc(cc1)Cl 34a_100015205461_200025704644 [0,1,0,0,0,0|2,0,1]=4 259 B11R1.22 C[C@H](N[13CH3])c1ccc(cc1)F 2230a_100025705893_200025704644 [0,1,0,0,0,0|2,0,1]=4 260 B11R1.22 C[C@H](N[13CH3])c1ccc(cc1)F 34a_100025705893_200025704644 [0,1,0,0,0,0|2,0,1]=4 261 B11R1.22 C[C@H](N[13CH3])c1ccc(cc1)I 2230a_100000753911_200025704644 [0,1,0,0,0,0|2,0,1]=4 262 B11R1.22 C[C@H](N[13CH3])c1ccc(cc1)O 2230a_100161106496_200025704644 [0,1,0,0,0,0|2,0,1]=4 263 B11R1.22 Cc1ccc(cc1)C(=O)CF 1458a_100000188618_100015361967 [0,1,0,0,0,0|2,0,0]=3 264 B11R1.22 Cc1ccc(cc1)[C@@H](C)N[13CH3] 2230a_100016988085_200025704644 [0,1,0,0,0,0|2,0,1]=4 265 B11R1.22 Cc1ccc(cc1)[C@@H](C)N[13CH3] 34a_100016988085_200025704644 [0,1,0,0,0,0|2,0,1]=4 266 B11R1.22 N#CC(=O)c1ccc(cc1)O 271570a_203496583355_100009994572 [0,1,0,0,0,0|2,0,0]=3 267 B11R1.22 NC(CO)c1ccc(cc1)O 271570a_203496583355_100000734186 [0,1,0,0,0,0|2,0,1]=4 268 B11R1.22 NCC(=O)c1ccc(cc1)O 271570a_203496583355_100000017248 [0,1,0,0,0,0|2,0,0]=3 269 B11R1.22 NNC(=O)c1ccc(cc1)O 271570a_203496583355_100000183614 [0,1,0,0,0,0|1,0,0]=2 270 B11R1.22 NNC(=O)c1ccc(cn1)O 271570a_203496583355_100011781063 [0,1,0,0,0,0|2,0,0]=3 271 B11R1.22 NNC(=O)c1ccc(nc1)O 271570a_203496583355_100000189807 [0,1,0,0,0,0|2,0,0]=3 272 B11R1.22 NNC(=O)c1cnc(cn1)O 271570a_203496583355_200012021860 [0,1,0,0,0,0|3,0,0]=4 273 B11R1.22 NNC(=O)c1ncc(cn1)O 271570a_203496583355_100009996755 [0,1,0,0,0,0|3,0,0]=4 274 B11R1.22 O=C(CF)c1ccc(cc1)Br 1458a_100000185839_100015361967 [0,1,0,0,0,0|2,0,0]=3 275 B11R1.22 O=C(CF)c1ccc(cc1)Cl 1458a_100000210187_100015361967 [0,1,0,0,0,0|2,0,0]=3 276 B11R1.22 O=C(CF)c1ccc(cc1)F 1458a_100000187176_100015361967 [0,1,0,0,0,0|2,0,0]=3 277 B11R1.22 O=C(CF)c1ccc(cc1)I 1458a_100000187904_100015361967 [0,1,0,0,0,0|2,0,0]=3 278 B11R1.22 O=C(CF)c1ccc(cc1)O 1458a_100000212099_100015361967 [0,1,0,0,0,0|2,0,0]=3 279 B11R1.22 O=C(CO)c1ccc(cc1)O 271570a_203496583355_100011219529 [0,1,0,0,0,0|1,0,0]=2 280 B11R1.22 O=CC(=O)c1ccc(cc1)O 271570a_203496583355_100000725942 [0,1,0,0,0,0|1,0,1]=3 281 B11R1.22 OCC(O)c1ccc(cc1)O 271570a_203496583355_200012355997 [0,1,0,0,0,0|1,0,2]=4 282 B11R1.23 CC(N[13CH3])c1cccc(c1)Br 2230a_100020642005_200025704644 [0,1,0,0,0,0|2,0,1]=4 283 B11R1.23 CC(N[13CH3])c1cccc(c1)Cl 2230a_100102723534_200025704644 [0,1,0,0,0,0|2,0,1]=4 284 B11R1.23 CC(N[13CH3])c1cccc(c1)Cl 34a_100102723534_200025704644 [0,1,0,0,0,0|2,0,1]=4 285 B11R1.23 CC(N[13CH3])c1cccc(c1)O 2230a_100000740644_200025704644 [0,1,0,0,0,0|2,0,1]=4 286 B11R1.23 CCC(=O)c1cc(ccn1)O 271570a_203496583355_200000094848 [0,1,0,0,0,0|3,0,0]=4 287 B11R1.23 CCC(=O)c1cccc(c1)Br 1458a_100000210664_100000210202 [0,1,0,0,0,0|2,0,0]=3 288 B11R1.23 CCC(=O)c1cccc(c1)C 1458a_100000189346_100000210202 [0,1,0,0,0,0|2,0,0]=3 289 B11R1.23 CCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000210202 [0,1,0,0,0,0|2,0,0]=3 290 B11R1.23 CCC(=O)c1cccc(c1)F 1458a_100000210950_100000210202 [0,1,0,0,0,0|2,0,0]=3 291 B11R1.23 CCC(=O)c1cccc(c1)I 1458a_100000184098_100000210202 [0,1,0,0,0,0|2,0,0]=3 292 B11R1.23 CCC(=O)c1cccc(c1)O 1458a_100000183914_100000210202 [0,1,0,0,0,0|2,0,0]=3 293 B11R1.23 CCC(=O)c1cccc(c1)O 271570a_203496583355_100000211677 [0,1,0,0,0,0|2,0,0]=3 294 B11R1.23 CCC(=O)c1cccc(n1)O 271570a_203496583355_100011004013 [0,1,0,0,0,0|3,0,0]=4 295 B11R1.23 CNC(=O)c1cc(ccn1)O 271570a_203496583355_100000204654 [0,1,0,0,0,0|2,0,0]=3 296 B11R1.23 CNC(=O)c1cccc(c1)Br 11a_106832991635_100000210664 [0,1,0,0,0,0|1,0,0]=2 297 B11R1.23 CNC(=O)c1cccc(c1)Br 1626a_100102657272_100000210664 [0,1,0,0,0,0|1,0,0]=2 298 B11R1.23 CNC(=O)c1cccc(c1)Br 240690a_100102657272_100000210664 [0,1,0,0,0,0|1,0,0]=2 299 B11R1.23 CNC(=O)c1cccc(c1)Br 527a_100102657272_100000210664 [0,1,0,0,0,0|1,0,0]=2 300 B11R1.23 CNC(=O)c1cccc(c1)C 11a_106832991635_100000189346 [0,1,0,0,0,0|1,0,0]=2 301 B11R1.23 CNC(=O)c1cccc(c1)C 1626a_100102657272_100000189346 [0,1,0,0,0,0|1,0,0]=2 302 B11R1.23 CNC(=O)c1cccc(c1)C 240690a_100102657272_100000189346 [0,1,0,0,0,0|1,0,0]=2 303 B11R1.23 CNC(=O)c1cccc(c1)C 527a_100102657272_100000189346 [0,1,0,0,0,0|1,0,0]=2 304 B11R1.23 CNC(=O)c1cccc(c1)Cl 11a_106832991635_100000210390 [0,1,0,0,0,0|1,0,0]=2 305 B11R1.23 CNC(=O)c1cccc(c1)Cl 1626a_100102657272_100000210390 [0,1,0,0,0,0|1,0,0]=2 306 B11R1.23 CNC(=O)c1cccc(c1)Cl 240690a_100102657272_100000210390 [0,1,0,0,0,0|1,0,0]=2 307 B11R1.23 CNC(=O)c1cccc(c1)Cl 527a_100102657272_100000210390 [0,1,0,0,0,0|1,0,0]=2 308 B11R1.23 CNC(=O)c1cccc(c1)F 11a_106832991635_100000210950 [0,1,0,0,0,0|1,0,0]=2 309 B11R1.23 CNC(=O)c1cccc(c1)F 1626a_100102657272_100000210950 [0,1,0,0,0,0|1,0,0]=2 310 B11R1.23 CNC(=O)c1cccc(c1)F 240690a_100102657272_100000210950 [0,1,0,0,0,0|1,0,0]=2 311 B11R1.23 CNC(=O)c1cccc(c1)F 527a_100102657272_100000210950 [0,1,0,0,0,0|1,0,0]=2 312 B11R1.23 CNC(=O)c1cccc(c1)I 11a_106832991635_100000184098 [0,1,0,0,0,0|1,0,0]=2 313 B11R1.23 CNC(=O)c1cccc(c1)I 1626a_100102657272_100000184098 [0,1,0,0,0,0|1,0,0]=2 314 B11R1.23 CNC(=O)c1cccc(c1)I 240690a_100102657272_100000184098 [0,1,0,0,0,0|1,0,0]=2 315 B11R1.23 CNC(=O)c1cccc(c1)I 527a_100102657272_100000184098 [0,1,0,0,0,0|1,0,0]=2 316 B11R1.23 CNC(=O)c1cccc(c1)O 240690a_100102657272_100000183914 [0,1,0,0,0,0|1,0,0]=2 317 B11R1.23 CNC(=O)c1cccc(c1)O 271570a_203496583355_100000155082 [0,1,0,0,0,0|1,0,0]=2 318 B11R1.23 CNC(=O)c1cccc(c1)O 527a_100102657272_100000183914 [0,1,0,0,0,0|1,0,0]=2 319 B11R1.23 CNC(=O)c1cccc(n1)O 271570a_203496583355_100000755456 [0,1,0,0,0,0|2,0,0]=3 320 B11R1.23 CNC(=O)c1ccnc(c1)O 271570a_203496583355_100011196506 [0,1,0,0,0,0|2,0,0]=3 321 B11R1.23 CNC(=O)c1cncc(c1)O 271570a_203496583355_200000155086 [0,1,0,0,0,0|2,0,0]=3 322 B11R1.23 CNC(C)c1cccc(c1)Br 2230a_100020642005_200000210301 [0,1,0,0,0,0|2,0,1]=4 323 B11R1.23 CNC(C)c1cccc(c1)Br 269862a_106832991636_100000210093 [0,1,0,0,0,0|2,0,1]=4 324 B11R1.23 CNC(C)c1cccc(c1)C 269862a_106832991636_100000211476 [0,1,0,0,0,0|2,0,1]=4 325 B11R1.23 CNC(C)c1cccc(c1)Cl 2230a_100102723534_200000210301 [0,1,0,0,0,0|2,0,1]=4 326 B11R1.23 CNC(C)c1cccc(c1)Cl 269862a_106832991636_200000210964 [0,1,0,0,0,0|2,0,1]=4 327 B11R1.23 CNC(C)c1cccc(c1)Cl 34a_100102723534_200000210301 [0,1,0,0,0,0|2,0,1]=4 328 B11R1.23 CNC(C)c1cccc(c1)F 269862a_106832991636_100000187083 [0,1,0,0,0,0|2,0,1]=4 329 B11R1.23 CNC(C)c1cccc(c1)I 269862a_106832991636_100011356966 [0,1,0,0,0,0|2,0,1]=4 330 B11R1.23 CNC(C)c1cccc(c1)O 2230a_100000740644_200000210301 [0,1,0,0,0,0|2,0,1]=4 331 B11R1.23 CNC(C)c1cccc(c1)O 269862a_106832991636_100000211620 [0,1,0,0,0,0|2,0,1]=4 332 B11R1.23 CNC(C)c1cccc(c1)O 271570a_203496583355_100025717457 [0,1,0,0,0,0|2,0,1]=4 333 B11R1.23 CN[C@H](C)c1cccc(c1)C 2230a_100000698126_200000210301 [0,1,0,0,0,0|2,0,1]=4 334 B11R1.23 CN[C@H](C)c1cccc(c1)C 34a_100000698126_200000210301 [0,1,0,0,0,0|2,0,1]=4 335 B11R1.23 CN[C@H](C)c1cccc(c1)F 2230a_100015193778_200000210301 [0,1,0,0,0,0|2,0,1]=4 336 B11R1.23 CN[C@H](C)c1cccc(c1)F 34a_100015193778_200000210301 [0,1,0,0,0,0|2,0,1]=4 337 B11R1.23 COC(=O)c1cc(ccn1)O 271570a_203496583355_100000693414 [0,1,0,0,0,0|3,0,0]=4 338 B11R1.23 COC(=O)c1cccc(c1)O 271570a_203496583355_100000148679 [0,1,0,0,0,0|2,0,0]=3 339 B11R1.23 COC(=O)c1cccc(n1)O 271570a_203496583355_100000708286 [0,1,0,0,0,0|3,0,0]=4 340 B11R1.23 COC(=O)c1ccnc(c1)O 271570a_203496583355_100011934382 [0,1,0,0,0,0|3,0,0]=4 341 B11R1.23 COC(=O)c1cncc(c1)O 271570a_203496583355_100000148912 [0,1,0,0,0,0|3,0,0]=4 342 B11R1.23 C[C@@H](N[13CH3])c1cccc(c1)F 2230a_100015193778_200025704644 [0,1,0,0,0,0|2,0,1]=4 343 B11R1.23 C[C@@H](N[13CH3])c1cccc(c1)F 34a_100015193778_200025704644 [0,1,0,0,0,0|2,0,1]=4 344 B11R1.23 Cc1cccc(c1)C(=O)CF 1458a_100000189346_100015361967 [0,1,0,0,0,0|2,0,0]=3 345 B11R1.23 Cc1cccc(c1)[C@@H](C)N[13CH3] 2230a_100000698126_200025704644 [0,1,0,0,0,0|2,0,1]=4 346 B11R1.23 Cc1cccc(c1)[C@@H](C)N[13CH3] 34a_100000698126_200025704644 [0,1,0,0,0,0|2,0,1]=4 347 B11R1.23 N#CC(=O)c1cccc(c1)O 271570a_203496583355_100010169886 [0,1,0,0,0,0|2,0,0]=3 348 B11R1.23 NC(CO)c1cccc(c1)O 271570a_203496583355_100000690078 [0,1,0,0,0,0|2,0,1]=4 349 B11R1.23 NCC(=O)c1cccc(c1)O 271570a_203496583355_100020587001 [0,1,0,0,0,0|2,0,0]=3 350 B11R1.23 NNC(=O)c1cc(ccn1)O 271570a_203496583355_100000017052 [0,1,0,0,0,0|2,0,0]=3 351 B11R1.23 NNC(=O)c1cccc(c1)O 271570a_203496583355_100000189783 [0,1,0,0,0,0|1,0,0]=2 352 B11R1.23 NNC(=O)c1cccc(n1)O 271570a_203496583355_100011631096 [0,1,0,0,0,0|2,0,0]=3 353 B11R1.23 NNC(=O)c1ccnc(c1)O 271570a_203496583355_100000021280 [0,1,0,0,0,0|2,0,0]=3 354 B11R1.23 NNC(=O)c1cncc(c1)O 271570a_203496583355_100000189809 [0,1,0,0,0,0|2,0,0]=3 355 B11R1.23 O=C(CF)c1cccc(c1)Br 1458a_100000210664_100015361967 [0,1,0,0,0,0|2,0,0]=3 356 B11R1.23 O=C(CF)c1cccc(c1)Cl 1458a_100000210390_100015361967 [0,1,0,0,0,0|2,0,0]=3 357 B11R1.23 O=C(CF)c1cccc(c1)F 1458a_100000210950_100015361967 [0,1,0,0,0,0|2,0,0]=3 358 B11R1.23 O=C(CF)c1cccc(c1)I 1458a_100000184098_100015361967 [0,1,0,0,0,0|2,0,0]=3 359 B11R1.23 O=C(CF)c1cccc(c1)O 1458a_100000183914_100015361967 [0,1,0,0,0,0|2,0,0]=3 360 B11R1.23 O=CC(=O)c1cccc(c1)O 271570a_203496583355_100000726164 [0,1,0,0,0,0|1,0,1]=3 361 B11R1.36 C=C(C(=O)C)c1ccccc1 1458a_100000065200_200000210301 [0,1,0,0,0,0|2,0,1]=4 362 B11R1.36 C=C(C(=O)[13CH3])c1ccccc1 1458a_100000065200_200025704644 [0,1,0,0,0,0|2,0,1]=4 363 B11R1.36 CC(=C(C)c1ccccc1)C 271570a_200000049429_100000210277 [0,1,0,0,0,0|3,0,0]=4 364 B11R1.36 CC(C)C(=O)c1ccccc1 1458a_100000185807_100000210206 [0,1,0,0,0,0|2,0,0]=3 365 B11R1.36 CC(c1ccccc1)N(C)C 2230a_100000195388_200000210301 [0,1,0,0,0,0|2,0,1]=4 366 B11R1.36 CC(c1ccccc1)N(C)C 2230a_100102631434_100000230085 [0,1,0,0,0,0|2,0,1]=4 367 B11R1.36 CC(c1ccccc1)N(C)C 269982a_100000195388_200000210301 [0,1,0,0,0,0|2,0,1]=4 368 B11R1.36 CC(c1ccccc1)N(C)C 269982a_100102631434_100000230085 [0,1,0,0,0,0|2,0,1]=4 369 B11R1.36 CC(c1ccccc1)N(C)[13CH3] 2230a_100000195388_200025704644 [0,1,0,0,0,0|2,0,1]=4 370 B11R1.36 CC(c1ccccc1)N(C)[13CH3] 269982a_100000195388_200025704644 [0,1,0,0,0,0|2,0,1]=4 371 B11R1.36 CN(C)C(=O)c1ccccc1 11a_100102631434_100000185807 [0,1,0,0,0,0|1,0,0]=2 372 B11R1.36 CN(C)C(=O)c1ccccc1 1626a_100102631434_100000185807 [0,1,0,0,0,0|1,0,0]=2 373 B11R1.36 CN(C)C(=O)c1ccccc1 240690a_100102631434_100000185807 [0,1,0,0,0,0|1,0,0]=2 374 B11R1.36 CN(C)C(=O)c1ccccc1 527a_100102631434_100000185807 [0,1,0,0,0,0|1,0,0]=2 375 B11R1.222 CC(N[13CH3])c1ccccc1Br 2230a_100000181357_200025704644 [0,1,0,0,0,0|2,0,1]=4 376 B11R1.222 CC(N[13CH3])c1ccccc1Cl 2230a_100000174978_200025704644 [0,1,0,0,0,0|2,0,1]=4 377 B11R1.222 CC(N[13CH3])c1ccccc1Cl 34a_100000174978_200025704644 [0,1,0,0,0,0|2,0,1]=4 378 B11R1.222 CC(N[13CH3])c1ccccc1F 2230a_100000181408_200025704644 [0,1,0,0,0,0|2,0,1]=4 379 B11R1.222 CC(N[13CH3])c1ccccc1F 34a_100000181408_200025704644 [0,1,0,0,0,0|2,0,1]=4 380 B11R1.222 CCC(=O)c1ccccc1Br 1458a_100000188424_100000210202 [0,1,0,0,0,0|2,0,0]=3 381 B11R1.222 CCC(=O)c1ccccc1C 1458a_100000212026_100000210202 [0,1,0,0,0,0|2,0,0]=3 382 B11R1.222 CCC(=O)c1ccccc1Cl 1458a_100000185844_100000210202 [0,1,0,0,0,0|2,0,0]=3 383 B11R1.222 CCC(=O)c1ccccc1F 1458a_100000188656_100000210202 [0,1,0,0,0,0|2,0,0]=3 384 B11R1.222 CCC(=O)c1ccccc1I 1458a_100000187884_100000210202 [0,1,0,0,0,0|2,0,0]=3 385 B11R1.222 CCC(=O)c1ccccc1O 1458a_100015234032_100000210202 [0,1,0,0,0,0|2,0,0]=3 386 B11R1.222 CCC(=O)c1ccccc1[O-] 1458a_100009911694_100000210202 [0,1,0,0,0,0|2,0,0]=3 387 B11R1.222 CNC(=O)c1ccccc1Br 11a_106832991635_100000188424 [0,1,0,0,0,0|1,0,0]=2 388 B11R1.222 CNC(=O)c1ccccc1Br 1626a_100102657272_100000188424 [0,1,0,0,0,0|1,0,0]=2 389 B11R1.222 CNC(=O)c1ccccc1Br 240690a_100102657272_100000188424 [0,1,0,0,0,0|1,0,0]=2 390 B11R1.222 CNC(=O)c1ccccc1Br 527a_100102657272_100000188424 [0,1,0,0,0,0|1,0,0]=2 391 B11R1.222 CNC(=O)c1ccccc1C 11a_106832991635_100000212026 [0,1,0,0,0,0|1,0,0]=2 392 B11R1.222 CNC(=O)c1ccccc1C 1626a_100102657272_100000212026 [0,1,0,0,0,0|1,0,0]=2 393 B11R1.222 CNC(=O)c1ccccc1C 240690a_100102657272_100000212026 [0,1,0,0,0,0|1,0,0]=2 394 B11R1.222 CNC(=O)c1ccccc1C 527a_100102657272_100000212026 [0,1,0,0,0,0|1,0,0]=2 395 B11R1.222 CNC(=O)c1ccccc1Cl 11a_106832991635_100000185844 [0,1,0,0,0,0|1,0,0]=2 396 B11R1.222 CNC(=O)c1ccccc1Cl 1626a_100102657272_100000185844 [0,1,0,0,0,0|1,0,0]=2 397 B11R1.222 CNC(=O)c1ccccc1Cl 240690a_100102657272_100000185844 [0,1,0,0,0,0|1,0,0]=2 398 B11R1.222 CNC(=O)c1ccccc1Cl 527a_100102657272_100000185844 [0,1,0,0,0,0|1,0,0]=2 399 B11R1.222 CNC(=O)c1ccccc1F 11a_106832991635_100000188656 [0,1,0,0,0,0|1,0,0]=2 400 B11R1.222 CNC(=O)c1ccccc1F 1626a_100102657272_100000188656 [0,1,0,0,0,0|1,0,0]=2 401 B11R1.222 CNC(=O)c1ccccc1F 240690a_100102657272_100000188656 [0,1,0,0,0,0|1,0,0]=2 402 B11R1.222 CNC(=O)c1ccccc1F 527a_100102657272_100000188656 [0,1,0,0,0,0|1,0,0]=2 403 B11R1.222 CNC(=O)c1ccccc1I 11a_106832991635_100000187884 [0,1,0,0,0,0|1,0,0]=2 404 B11R1.222 CNC(=O)c1ccccc1I 1626a_100102657272_100000187884 [0,1,0,0,0,0|1,0,0]=2 405 B11R1.222 CNC(=O)c1ccccc1I 240690a_100102657272_100000187884 [0,1,0,0,0,0|1,0,0]=2 406 B11R1.222 CNC(=O)c1ccccc1I 527a_100102657272_100000187884 [0,1,0,0,0,0|1,0,0]=2 407 B11R1.222 CNC(=O)c1ccccc1O 240690a_100102657272_100015234032 [0,1,0,0,0,0|1,0,0]=2 408 B11R1.222 CNC(=O)c1ccccc1O 271570a_203496583355_100000155073 [0,1,0,0,0,0|1,0,0]=2 409 B11R1.222 CNC(=O)c1ccccc1[O-] 1626a_100102657272_100009911694 [0,1,0,0,0,0|1,0,0]=2 410 B11R1.222 CNC(=O)c1ccccc1[O-] 240690a_100102657272_100009911694 [0,1,0,0,0,0|1,0,0]=2 411 B11R1.222 CNC(=O)c1ccccc1[O-] 527a_100102657272_100009911694 [0,1,0,0,0,0|1,0,0]=2 412 B11R1.222 CNC(=O)c1cccnc1O 271570a_203496583355_100000159833 [0,1,0,0,0,0|2,0,0]=3 413 B11R1.222 CNC(C)c1ccccc1Br 2230a_100000181357_200000210301 [0,1,0,0,0,0|2,0,1]=4 414 B11R1.222 CNC(C)c1ccccc1Br 269862a_106832991636_100000187085 [0,1,0,0,0,0|2,0,1]=4 415 B11R1.222 CNC(C)c1ccccc1C 2230a_100000181355_200000210301 [0,1,0,0,0,0|2,0,1]=4 416 B11R1.222 CNC(C)c1ccccc1C 269862a_106832991636_100000211656 [0,1,0,0,0,0|2,0,1]=4 417 B11R1.222 CNC(C)c1ccccc1C 34a_100000181355_200000210301 [0,1,0,0,0,0|2,0,1]=4 418 B11R1.222 CNC(C)c1ccccc1Cl 2230a_100000174978_200000210301 [0,1,0,0,0,0|2,0,1]=4 419 B11R1.222 CNC(C)c1ccccc1Cl 2230a_106832991635_100000181259 [0,1,0,0,0,0|2,0,1]=4 420 B11R1.222 CNC(C)c1ccccc1Cl 269862a_106832991636_100000210134 [0,1,0,0,0,0|2,0,1]=4 421 B11R1.222 CNC(C)c1ccccc1Cl 34a_100000174978_200000210301 [0,1,0,0,0,0|2,0,1]=4 422 B11R1.222 CNC(C)c1ccccc1Cl 7a_106832991635_100000181259 [0,1,0,0,0,0|2,0,1]=4 423 B11R1.222 CNC(C)c1ccccc1F 2230a_100000181408_200000210301 [0,1,0,0,0,0|2,0,1]=4 424 B11R1.222 CNC(C)c1ccccc1F 2230a_106832991635_200000741388 [0,1,0,0,0,0|2,0,1]=4 425 B11R1.222 CNC(C)c1ccccc1F 269862a_106832991636_100000210632 [0,1,0,0,0,0|2,0,1]=4 426 B11R1.222 CNC(C)c1ccccc1F 34a_100000181408_200000210301 [0,1,0,0,0,0|2,0,1]=4 427 B11R1.222 CNC(C)c1ccccc1F 34a_100102657272_200000741388 [0,1,0,0,0,0|2,0,1]=4 428 B11R1.222 CNC(C)c1ccccc1F 7a_106832991635_200000741388 [0,1,0,0,0,0|2,0,1]=4 429 B11R1.222 CNC(C)c1ccccc1I 269862a_106832991636_100000751169 [0,1,0,0,0,0|2,0,1]=4 430 B11R1.222 CNC(C)c1ccccc1O 271570a_203496583355_100000692418 [0,1,0,0,0,0|2,0,1]=4 431 B11R1.222 CN[C@H](C)c1ccccc1O 2230a_100025703389_200000210301 [0,1,0,0,0,0|2,0,1]=4 432 B11R1.222 COC(=O)c1ccccc1O 271570a_203496583355_100000148710 [0,1,0,0,0,0|2,0,0]=3 433 B11R1.222 COC(=O)c1cccnc1O 271570a_203496583355_100000150852 [0,1,0,0,0,0|3,0,0]=4 434 B11R1.222 COC(=O)c1ccncc1O 271570a_203496583355_100010008606 [0,1,0,0,0,0|3,0,0]=4 435 B11R1.222 COC(=O)c1cnccc1O 271570a_203496583355_100020629055 [0,1,0,0,0,0|3,0,0]=4 436 B11R1.222 COC(=O)c1ncccc1O 271570a_203496583355_100011935214 [0,1,0,0,0,0|3,0,0]=4 437 B11R1.222 C[C@@H](N[13CH3])c1ccccc1O 2230a_100025703389_200025704644 [0,1,0,0,0,0|2,0,1]=4 438 B11R1.222 Cc1ccccc1C(=O)CF 1458a_100000212026_100015361967 [0,1,0,0,0,0|2,0,0]=3 439 B11R1.222 Cc1ccccc1C(C)N[13CH3] 2230a_100000181355_200025704644 [0,1,0,0,0,0|2,0,1]=4 440 B11R1.222 Cc1ccccc1C(C)N[13CH3] 34a_100000181355_200025704644 [0,1,0,0,0,0|2,0,1]=4 441 B11R1.222 NNC(=O)c1ccccc1O 271570a_203496583355_100000190081 [0,1,0,0,0,0|1,0,0]=2 442 B11R1.222 N[C@H](CO)c1ccccc1O 271570a_203496583355_100161155918 [0,1,0,0,0,0|2,0,1]=4 443 B11R1.222 O=C(CF)c1ccccc1Br 1458a_100000188424_100015361967 [0,1,0,0,0,0|2,0,0]=3 444 B11R1.222 O=C(CF)c1ccccc1Cl 1458a_100000185844_100015361967 [0,1,0,0,0,0|2,0,0]=3 445 B11R1.222 O=C(CF)c1ccccc1F 1458a_100000188656_100015361967 [0,1,0,0,0,0|2,0,0]=3 446 B11R1.222 O=C(CF)c1ccccc1I 1458a_100000187884_100015361967 [0,1,0,0,0,0|2,0,0]=3 447 B11R1.222 O=C(CF)c1ccccc1O 1458a_100015234032_100015361967 [0,1,0,0,0,0|2,0,0]=3 448 B11R1.222 O=C(CF)c1ccccc1[O-] 1458a_100009911694_100015361967 [0,1,0,0,0,0|2,0,0]=3 449 B11R2.1 Oc1coc2c1cccc2 271570a_203496583355_100009812202 [0,0,0,1,0,0|1,0,1]=3 450 B11R2.1 Oc1coc2c1nccc2 271570a_203496583355_100009889148 [0,0,0,1,0,0|2,0,1]=4 451 B11R2.1 Oc1csc2c1cccc2 271570a_203496583355_100009813928 [0,0,0,1,0,0|1,1,1]=4 452 B11R2.1 Oc1n[nH]c2c1cccc2 271570a_203496583355_100000050141 [0,0,0,1,0,0|1,0,2]=4 453 B11R2.988 CNC1Cc2c1cccc2 7a_106832991635_100009813401 [0,0,0,1,0,0|2,0,1]=4 454 B11R1.40 C#CC(=O)Cc1ccccc1 1458a_100000211873_100015291786 [0,0,0,0,0,1|2,0,0]=3 455 B11R1.40 C#CC(=O)Cc1ccccn1 1458a_100000211873_100000721315 [0,0,0,0,0,1|3,0,0]=4 456 B11R1.40 C#CC(=O)Cc1cccnc1 1458a_100000211873_100000733263 [0,0,0,0,0,1|3,0,0]=4 457 B11R1.40 C#CC(=O)Cc1ccncc1 1458a_100000211873_100000705612 [0,0,0,0,0,1|3,0,0]=4 458 B11R1.40 C=CC(=O)Cc1ccccc1 1458a_100000185746_100015291786 [0,0,0,0,0,1|2,0,0]=3 459 B11R1.40 C=CC(=O)Cc1ccccn1 1458a_100000185746_100000721315 [0,0,0,0,0,1|3,0,0]=4 460 B11R1.40 C=CC(=O)Cc1cccnc1 1458a_100000185746_100000733263 [0,0,0,0,0,1|3,0,0]=4 461 B11R1.40 C=CC(=O)Cc1ccncc1 1458a_100000185746_100000705612 [0,0,0,0,0,1|3,0,0]=4 462 B11R1.40 C=CC(=O)Nc1ccccc1 1626a_100000106764_100000185746 [0,0,0,0,0,1|2,0,0]=3 463 B11R1.40 C=CC(=O)Nc1ccccc1 22a_100000106764_100000185746 [0,0,0,0,0,1|2,0,0]=3 464 B11R1.40 CC(CO)Nc1ccccc1 34a_100000106764_100012180447 [0,0,0,0,0,1|2,0,1]=4 465 B11R1.40 CC(CO)Oc1ccccc1 34a_100000210340_100012180447 [0,0,0,0,0,1|2,0,1]=4 466 B11R1.40 CC(CO)Oc1ccccc1 7a_100000210340_100012180447 [0,0,0,0,0,1|2,0,1]=4 467 B11R1.40 CC(CO)Sc1ccccc1 62a_100012180447_100000041952 [0,0,0,0,0,1|2,0,1]=4 468 B11R1.40 CCC(=O)C[n+]1ccccc1 1458a_200000086051_100000210202 [0,0,0,0,0,1|3,0,0]=4 469 B11R1.40 CCC(=O)Cc1ccccc1 1458a_100000210414_100015291786 [0,0,0,0,0,1|2,0,0]=3 470 B11R1.40 CCC(=O)Cc1ccccn1 1458a_100000210414_100000721315 [0,0,0,0,0,1|3,0,0]=4 471 B11R1.40 CCC(=O)Cc1ccccn1 1458a_100000233486_100000210202 [0,0,0,0,0,1|3,0,0]=4 472 B11R1.40 CCC(=O)Cc1cccnc1 1458a_100000210414_100000733263 [0,0,0,0,0,1|3,0,0]=4 473 B11R1.40 CCC(=O)Cc1cccnc1 1458a_100000737805_100000210202 [0,0,0,0,0,1|3,0,0]=4 474 B11R1.40 CCC(=O)Cc1ccncc1 1458a_100000210414_100000705612 [0,0,0,0,0,1|3,0,0]=4 475 B11R1.40 CCC(=O)Nc1ccccc1 11a_100000106764_100000210414 [0,0,0,0,0,1|2,0,0]=3 476 B11R1.40 CCC(=O)Nc1ccccc1 1626a_100000106764_100000210414 [0,0,0,0,0,1|2,0,0]=3 477 B11R1.40 CCC(=O)Nc1ccccc1 22a_100000106764_100000210414 [0,0,0,0,0,1|2,0,0]=3 478 B11R1.40 CCC(=O)Nc1ccccc1 527a_100000106764_100000210414 [0,0,0,0,0,1|2,0,0]=3 479 B11R1.40 CNC(=O)C[n+]1ccccc1 11a_106832991635_200000086051 [0,0,0,0,0,1|2,0,0]=3 480 B11R1.40 CNC(=O)C[n+]1ccccc1 240690a_100102657272_200000086051 [0,0,0,0,0,1|2,0,0]=3 481 B11R1.40 CNC(=O)C[n+]1ccccc1 527a_100102657272_200000086051 [0,0,0,0,0,1|2,0,0]=3 482 B11R1.40 CNC(=O)Cc1ccccn1 11a_106832991635_100000233486 [0,0,0,0,0,1|2,0,0]=3 483 B11R1.40 CNC(=O)Cc1cccnc1 11a_106832991635_100000737805 [0,0,0,0,0,1|2,0,0]=3 484 B11R1.40 CNC(=O)Cc1cccnc1 240690a_100102657272_100000737805 [0,0,0,0,0,1|2,0,0]=3 485 B11R1.40 CNC(=O)Cc1cccnc1 527a_100102657272_100000737805 [0,0,0,0,0,1|2,0,0]=3 486 B11R1.40 CNC(=O)Cc1ccncc1 11a_106832991635_100011201483 [0,0,0,0,0,1|2,0,0]=3 487 B11R1.40 CNC(=O)Cc1ccncc1 240690a_100102657272_100011201483 [0,0,0,0,0,1|2,0,0]=3 488 B11R1.40 CNC(=O)Cc1cnccn1 11a_106832991635_100000726051 [0,0,0,0,0,1|3,0,0]=4 489 B11R1.40 CNC(=O)Cc1cnccn1 240690a_100102657272_100000726051 [0,0,0,0,0,1|3,0,0]=4 490 B11R1.40 CNC(=O)Cc1cnccn1 527a_100102657272_100000726051 [0,0,0,0,0,1|3,0,0]=4 491 B11R1.40 CNC(=O)Cc1cncnc1 11a_106832991635_100000721575 [0,0,0,0,0,1|3,0,0]=4 492 B11R1.40 CNC(=O)Cc1cncnc1 240690a_100102657272_100000721575 [0,0,0,0,0,1|3,0,0]=4 493 B11R1.40 CNC(=O)Cc1cncnc1 527a_100102657272_100000721575 [0,0,0,0,0,1|3,0,0]=4 494 B11R1.40 CNC(=O)Nc1ccccc1 2430a_100000106764_100102657272 [0,0,0,0,0,1|1,0,0]=2 495 B11R1.40 CNC(C)Cc1ccccc1 34a_100102657272_200011218536 [0,0,0,0,0,1|2,0,1]=4 496 B11R1.40 CNC(C)Cc1ccccc1 7a_106832991635_200011218536 [0,0,0,0,0,1|2,0,1]=4 497 B11R1.40 C[C@H](CO)Sc1ccccc1 62a_100000719477_100016084084 [0,0,0,0,0,1|2,0,1]=4 498 B11R1.40 C[C@H](CO)Sc1ccccc1 62a_100016084084_100000041952 [0,0,0,0,0,1|2,0,1]=4 499 B11R1.40 O=C(CF)C[n+]1ccccc1 1458a_200000086051_100015361967 [0,0,0,0,0,1|3,0,0]=4 500 B11R1.40 O=C(CF)Cc1ccccn1 1458a_100000233486_100015361967 [0,0,0,0,0,1|3,0,0]=4 501 B11R1.40 O=C(CF)Cc1cccnc1 1458a_100000737805_100015361967 [0,0,0,0,0,1|3,0,0]=4 502 B11R1.40 O=C(CO)Cc1ccccc1 1458a_100000210174_100015291786 [0,0,0,0,0,1|1,0,0]=2 503 B11R1.40 O=C(CO)Cc1ccccn1 1458a_100000210174_100000721315 [0,0,0,0,0,1|2,0,0]=3 504 B11R1.40 O=C(CO)Cc1cccnc1 1458a_100000210174_100000733263 [0,0,0,0,0,1|2,0,0]=3 505 B11R1.40 O=C(CO)Cc1cccnn1 1458a_100000210174_100016990269 [0,0,0,0,0,1|3,0,0]=4 506 B11R1.40 O=C(CO)Cc1ccncc1 1458a_100000210174_100000705612 [0,0,0,0,0,1|2,0,0]=3 507 B11R1.40 O=C(CO)Cc1cnccn1 1458a_100000210174_100016995436 [0,0,0,0,0,1|3,0,0]=4 508 B11R1.40 O=C(CO)Cc1cncnc1 1458a_100000210174_100015196519 [0,0,0,0,0,1|3,0,0]=4 509 B11R1.40 O=C(CO)Cc1ncccn1 1458a_100000210174_100000703007 [0,0,0,0,0,1|3,0,0]=4 510 B11R1.40 O=C(CO)Nc1ccccc1 22a_100000106764_100000210174 [0,0,0,0,0,1|1,0,0]=2 511 B11R1.40 O=C(CO)Nc1ccccc1 527a_100000106764_100000210174 [0,0,0,0,0,1|1,0,0]=2 512 B8R0.6 C/C=C/C=CC(=O)NC 11a_106832991635_100000185730 [1,0,1,0,0,0|1,0,1]=4 513 B8R0.6 C/C=C/C=CC(=O)NC 1626a_100102657272_100000185730 [1,0,1,0,0,0|1,0,1]=4 514 B8R0.6 C/C=C/C=CC(=O)NC 240690a_100102657272_100000185730 [1,0,1,0,0,0|1,0,1]=4 515 B8R1.2 C=Cc1ccccc1 271570a_100011290941_100000210277 [2,0,0,0,0,0|1,0,0]=3 516 B8R1.2 C=Cc1ccccn1 271570a_100011290941_100011216584 [2,0,0,0,0,0|2,0,0]=4 517 B8R1.2 C=Cc1cccnc1 271570a_100011290941_100000752921 [2,0,0,0,0,0|2,0,0]=4 518 B8R1.2 C=Cc1ccncc1 271570a_100011290941_100000035832 [2,0,0,0,0,0|2,0,0]=4 519 B8R1.2 CNc1ccccc1 34a_100000106764_200000210301 [2,0,0,0,0,0|1,0,0]=3 520 B8R1.2 COc1ccccc1 34a_100000210340_200000210301 [2,0,0,0,0,0|2,0,0]=4 521 B8R1.2 COc1ccccc1 7a_100000210340_200000210301 [2,0,0,0,0,0|2,0,0]=4 522 B8R1.2 CSc1ccccc1 62a_100000719477_200000210301 [2,0,0,0,0,0|2,0,0]=4 523 B8R1.2 CSc1ccccc1 62a_200000210301_100000041952 [2,0,0,0,0,0|2,0,0]=4 524 B8R1.2 [13CH3]Nc1ccccc1 34a_100000106764_200025704644 [2,0,0,0,0,0|1,0,0]=3 525 B8R1.2 [13CH3]Oc1ccccc1 34a_100000210340_200025704644 [2,0,0,0,0,0|2,0,0]=4 526 B8R1.2 [13CH3]Oc1ccccc1 7a_100000210340_200025704644 [2,0,0,0,0,0|2,0,0]=4 527 B8R1.2 [13CH3]Sc1ccccc1 62a_100000719477_200025704644 [2,0,0,0,0,0|2,0,0]=4 528 B8R1.2 [13CH3]Sc1ccccc1 62a_200025704644_100000041952 [2,0,0,0,0,0|2,0,0]=4 529 B10R0.18 C=CC=CC(=O)CC(=O)NC 1458a_100016291481_100000183359 [0,1,1,0,0,0|1,0,1]=4 530 B10R0.108 C=CCC(=O)C=CC(=O)NC 1458a_100016259477_100000210623 [0,1,1,0,0,0|1,0,1]=4 531 B10R1.13 C=C(C)c1ccc(cc1)Br 271570a_100000694244_100000752885 [1,1,0,0,0,0|2,0,0]=4 532 B10R1.13 C=C(C)c1ccc(cc1)C 271570a_100000694244_100000186775 [1,1,0,0,0,0|2,0,0]=4 533 B10R1.13 C=C(C)c1ccc(cc1)Cl 271570a_100000694244_100000755918 [1,1,0,0,0,0|2,0,0]=4 534 B10R1.13 C=C(C)c1ccc(cc1)F 271570a_100000694244_100000211213 [1,1,0,0,0,0|2,0,0]=4 535 B10R1.13 C=C(C)c1ccc(cc1)N 271570a_100000694244_100000185761 [1,1,0,0,0,0|2,0,0]=4 536 B10R1.13 C=C(C)c1ccc(cc1)O 271570a_100000694244_100000185759 [1,1,0,0,0,0|2,0,0]=4 537 B10R1.13 C=C(C)c1ccc(cc1)O 271570a_203496583355_100000185454 [1,1,0,0,0,0|2,0,0]=4 538 B10R1.13 CC(=O)c1ccc(cc1)Br 1458a_100000185839_200000210301 [1,1,0,0,0,0|1,0,0]=3 539 B10R1.13 CC(=O)c1ccc(cc1)C 1458a_100000188618_200000210301 [1,1,0,0,0,0|1,0,0]=3 540 B10R1.13 CC(=O)c1ccc(cc1)Cl 1458a_100000210187_200000210301 [1,1,0,0,0,0|1,0,0]=3 541 B10R1.13 CC(=O)c1ccc(cc1)F 1458a_100000187176_200000210301 [1,1,0,0,0,0|1,0,0]=3 542 B10R1.13 CC(=O)c1ccc(cc1)I 1458a_100000187904_200000210301 [1,1,0,0,0,0|1,0,0]=3 543 B10R1.13 CC(=O)c1ccc(cc1)O 1458a_100000212099_200000210301 [1,1,0,0,0,0|1,0,0]=3 544 B10R1.13 CC(=O)c1ccc(cc1)O 271570a_203496583355_100000185465 [1,1,0,0,0,0|1,0,0]=3 545 B10R1.13 CC(=O)c1ccc(cn1)O 271570a_203496583355_100000686046 [1,1,0,0,0,0|2,0,0]=4 546 B10R1.13 CC(=O)c1ccc(nc1)O 271570a_203496583355_100000684857 [1,1,0,0,0,0|2,0,0]=4 547 B10R1.13 CC(O)c1ccc(cc1)O 271570a_203496583355_100000745893 [1,1,0,0,0,0|1,0,1]=4 548 B10R1.13 CS(=O)c1ccc(cc1)O 271570a_203496583355_100009816266 [1,1,0,0,0,0|2,0,0]=4 549 B10R1.13 C[C@@H](N)c1ccc(cc1)O 271570a_203496583355_100000720352 [1,1,0,0,0,0|1,0,1]=4 550 B10R1.13 C[C@H](N)c1ccc(cc1)O 271570a_203496583355_100000753911 [1,1,0,0,0,0|1,0,1]=4 551 B10R1.13 Cc1ccc(cc1)C(=O)[13CH3] 1458a_100000188618_200025704644 [1,1,0,0,0,0|1,0,0]=3 552 B10R1.13 NC(=O)c1ccc(cc1)O 271570a_203496583355_100000162191 [1,1,0,0,0,0|0,0,0]=2 553 B10R1.13 NC(=O)c1ccc(cn1)O 271570a_203496583355_100011219284 [1,1,0,0,0,0|1,0,0]=3 554 B10R1.13 NC(=O)c1ccc(nc1)O 271570a_203496583355_100000162237 [1,1,0,0,0,0|1,0,0]=3 555 B10R1.13 NC(=O)c1ccc(nn1)O 271570a_203496583355_100000761398 [1,1,0,0,0,0|2,0,0]=4 556 B10R1.13 NC(=O)c1cnc(cn1)O 271570a_203496583355_100000738300 [1,1,0,0,0,0|2,0,0]=4 557 B10R1.13 NC(=O)c1ncc(cn1)O 271570a_203496583355_100009996756 [1,1,0,0,0,0|2,0,0]=4 558 B10R1.13 OB(O)c1ccc(cc1)O 271570a_203496583355_100000754493 [1,1,0,0,0,0|1,0,1]=4 559 B10R1.13 [13CH3]C(=O)c1ccc(cc1)Br 1458a_100000185839_200025704644 [1,1,0,0,0,0|1,0,0]=3 560 B10R1.13 [13CH3]C(=O)c1ccc(cc1)Cl 1458a_100000210187_200025704644 [1,1,0,0,0,0|1,0,0]=3 561 B10R1.13 [13CH3]C(=O)c1ccc(cc1)F 1458a_100000187176_200025704644 [1,1,0,0,0,0|1,0,0]=3 562 B10R1.13 [13CH3]C(=O)c1ccc(cc1)I 1458a_100000187904_200025704644 [1,1,0,0,0,0|1,0,0]=3 563 B10R1.13 [13CH3]C(=O)c1ccc(cc1)O 1458a_100000212099_200025704644 [1,1,0,0,0,0|1,0,0]=3 564 B10R1.61 C=C(C)c1ccccc1Br 271570a_100000694244_100000695589 [1,1,0,0,0,0|2,0,0]=4 565 B10R1.61 C=C(C)c1ccccc1C 271570a_100000694244_100000210755 [1,1,0,0,0,0|2,0,0]=4 566 B10R1.61 C=C(C)c1ccccc1Cl 271570a_100000694244_100000764095 [1,1,0,0,0,0|2,0,0]=4 567 B10R1.61 C=C(C)c1ccccc1F 271570a_100000694244_100011215700 [1,1,0,0,0,0|2,0,0]=4 568 B10R1.61 C=C(C)c1ccccc1N 271570a_100000694244_100000210017 [1,1,0,0,0,0|2,0,0]=4 569 B10R1.61 C=C(C)c1ccccc1O 271570a_100000694244_100000739446 [1,1,0,0,0,0|2,0,0]=4 570 B10R1.61 CC(=O)c1ccccc1Br 1458a_100000188424_200000210301 [1,1,0,0,0,0|1,0,0]=3 571 B10R1.61 CC(=O)c1ccccc1C 1458a_100000212026_200000210301 [1,1,0,0,0,0|1,0,0]=3 572 B10R1.61 CC(=O)c1ccccc1Cl 1458a_100000185844_200000210301 [1,1,0,0,0,0|1,0,0]=3 573 B10R1.61 CC(=O)c1ccccc1F 1458a_100000188656_200000210301 [1,1,0,0,0,0|1,0,0]=3 574 B10R1.61 CC(=O)c1ccccc1I 1458a_100000187884_200000210301 [1,1,0,0,0,0|1,0,0]=3 575 B10R1.61 CC(=O)c1ccccc1O 1458a_100015234032_200000210301 [1,1,0,0,0,0|1,0,0]=3 576 B10R1.61 CC(=O)c1ccccc1O 271570a_203496583355_100000751169 [1,1,0,0,0,0|1,0,0]=3 577 B10R1.61 CC(=O)c1ccccc1[O-] 1458a_100009911694_200000210301 [1,1,0,0,0,0|1,0,0]=3 578 B10R1.61 CC(=O)c1cccnc1O 271570a_203496583355_100000753718 [1,1,0,0,0,0|2,0,0]=4 579 B10R1.61 CC(=O)c1ccncc1O 271570a_203496583355_100009993184 [1,1,0,0,0,0|2,0,0]=4 580 B10R1.61 CC(=O)c1cnccc1O 271570a_203496583355_100160469449 [1,1,0,0,0,0|2,0,0]=4 581 B10R1.61 CC(=O)c1ncccc1O 271570a_203496583355_100012348690 [1,1,0,0,0,0|2,0,0]=4 582 B10R1.61 CC(N)c1ccccc1O 271570a_203496583355_100000181357 [1,1,0,0,0,0|1,0,1]=4 583 B10R1.61 CC(O)c1ccccc1O 271570a_203496583355_100000702211 [1,1,0,0,0,0|1,0,1]=4 584 B10R1.61 CS(=O)c1ccccc1O 271570a_203496583355_100000734199 [1,1,0,0,0,0|2,0,0]=4 585 B10R1.61 Cc1ccccc1C(=O)[13CH3] 1458a_100000212026_200025704644 [1,1,0,0,0,0|1,0,0]=3 586 B10R1.61 NC(=O)c1ccccc1O 271570a_203496583355_100000162227 [1,1,0,0,0,0|0,0,0]=2 587 B10R1.61 NC(=O)c1cccnc1O 271570a_203496583355_100000162199 [1,1,0,0,0,0|1,0,0]=3 588 B10R1.61 NC(=O)c1ccncc1O 271570a_203496583355_100010205435 [1,1,0,0,0,0|1,0,0]=3 589 B10R1.61 NC(=O)c1cnccc1O 271570a_203496583355_100000697804 [1,1,0,0,0,0|1,0,0]=3 590 B10R1.61 NC(=O)c1ncccc1O 271570a_203496583355_200012359670 [1,1,0,0,0,0|1,0,0]=3 591 B10R1.61 NC(=O)c1nccnc1O 271570a_203496583355_100000094861 [1,1,0,0,0,0|2,0,0]=4 592 B10R1.61 OB(O)c1ccccc1O 271570a_203496583355_100000693059 [1,1,0,0,0,0|1,0,1]=4 593 B10R1.61 [13CH3]C(=O)c1ccccc1Br 1458a_100000188424_200025704644 [1,1,0,0,0,0|1,0,0]=3 594 B10R1.61 [13CH3]C(=O)c1ccccc1Cl 1458a_100000185844_200025704644 [1,1,0,0,0,0|1,0,0]=3 595 B10R1.61 [13CH3]C(=O)c1ccccc1F 1458a_100000188656_200025704644 [1,1,0,0,0,0|1,0,0]=3 596 B10R1.61 [13CH3]C(=O)c1ccccc1I 1458a_100000187884_200025704644 [1,1,0,0,0,0|1,0,0]=3 597 B10R1.61 [13CH3]C(=O)c1ccccc1O 1458a_100015234032_200025704644 [1,1,0,0,0,0|1,0,0]=3 598 B10R1.61 [13CH3]C(=O)c1ccccc1[O-] 1458a_100009911694_200025704644 [1,1,0,0,0,0|1,0,0]=3 599 B10R1.113 C=C(C)c1cccc(c1)Br 271570a_100000694244_100000691529 [1,1,0,0,0,0|2,0,0]=4 600 B10R1.113 C=C(C)c1cccc(c1)C 271570a_100000694244_100011215228 [1,1,0,0,0,0|2,0,0]=4 601 B10R1.113 C=C(C)c1cccc(c1)Cl 271570a_100000694244_100000699651 [1,1,0,0,0,0|2,0,0]=4 602 B10R1.113 C=C(C)c1cccc(c1)F 271570a_100000694244_100000685547 [1,1,0,0,0,0|2,0,0]=4 603 B10R1.113 C=C(C)c1cccc(c1)N 271570a_100000694244_100000210019 [1,1,0,0,0,0|2,0,0]=4 604 B10R1.113 C=C(C)c1cccc(c1)O 271570a_100000694244_100000211634 [1,1,0,0,0,0|2,0,0]=4 605 B10R1.113 C=C(C)c1cccc(c1)O 271570a_203496583355_100012123953 [1,1,0,0,0,0|2,0,0]=4 606 B10R1.113 C=C(C)c1cccc(c1)[S] 271570a_100000694244_114929384022 [1,1,0,0,0,0|2,0,0]=4 607 B10R1.113 CC(=O)c1cc(ccn1)O 271570a_203496583355_100000709912 [1,1,0,0,0,0|2,0,0]=4 608 B10R1.113 CC(=O)c1cccc(c1)Br 1458a_100000210664_200000210301 [1,1,0,0,0,0|1,0,0]=3 609 B10R1.113 CC(=O)c1cccc(c1)C 1458a_100000189346_200000210301 [1,1,0,0,0,0|1,0,0]=3 610 B10R1.113 CC(=O)c1cccc(c1)Cl 1458a_100000210390_200000210301 [1,1,0,0,0,0|1,0,0]=3 611 B10R1.113 CC(=O)c1cccc(c1)F 1458a_100000210950_200000210301 [1,1,0,0,0,0|1,0,0]=3 612 B10R1.113 CC(=O)c1cccc(c1)I 1458a_100000184098_200000210301 [1,1,0,0,0,0|1,0,0]=3 613 B10R1.113 CC(=O)c1cccc(c1)O 1458a_100000183914_200000210301 [1,1,0,0,0,0|1,0,0]=3 614 B10R1.113 CC(=O)c1cccc(c1)O 271570a_203496583355_100000210093 [1,1,0,0,0,0|1,0,0]=3 615 B10R1.113 CC(=O)c1cccc(n1)O 271570a_203496583355_100009816502 [1,1,0,0,0,0|2,0,0]=4 616 B10R1.113 CC(=O)c1ccnc(c1)O 271570a_203496583355_100000685609 [1,1,0,0,0,0|2,0,0]=4 617 B10R1.113 CC(=O)c1cncc(c1)O 271570a_203496583355_100011216243 [1,1,0,0,0,0|2,0,0]=4 618 B10R1.113 CC(N)c1cccc(c1)O 271570a_203496583355_100020642005 [1,1,0,0,0,0|1,0,1]=4 619 B10R1.113 CC(O)c1cccc(c1)O 271570a_203496583355_100000246457 [1,1,0,0,0,0|1,0,1]=4 620 B10R1.113 CS(=O)c1cccc(c1)O 271570a_203496583355_100009816267 [1,1,0,0,0,0|2,0,0]=4 621 B10R1.113 Cc1cccc(c1)C(=O)[13CH3] 1458a_100000189346_200025704644 [1,1,0,0,0,0|1,0,0]=3 622 B10R1.113 NC(=O)c1cc(ccn1)O 271570a_203496583355_100000229564 [1,1,0,0,0,0|1,0,0]=3 623 B10R1.113 NC(=O)c1cc(ncn1)O 271570a_203496583355_100000725265 [1,1,0,0,0,0|2,0,0]=4 624 B10R1.113 NC(=O)c1cccc(c1)O 271570a_203496583355_100000162208 [1,1,0,0,0,0|0,0,0]=2 625 B10R1.113 NC(=O)c1cccc(n1)O 271570a_203496583355_100011834053 [1,1,0,0,0,0|1,0,0]=3 626 B10R1.113 NC(=O)c1ccnc(c1)O 271570a_203496583355_100000229836 [1,1,0,0,0,0|1,0,0]=3 627 B10R1.113 NC(=O)c1ccnc(n1)O 271570a_203496583355_100000066158 [1,1,0,0,0,0|2,0,0]=4 628 B10R1.113 NC(=O)c1cncc(c1)O 271570a_203496583355_100000162242 [1,1,0,0,0,0|1,0,0]=3 629 B10R1.113 NC(=O)c1cncc(n1)O 271570a_203496583355_100000764846 [1,1,0,0,0,0|2,0,0]=4 630 B10R1.113 NC(=O)c1cnnc(c1)O 271570a_203496583355_100015785749 [1,1,0,0,0,0|2,0,0]=4 631 B10R1.113 OB(O)c1cccc(c1)O 271570a_203496583355_100000687717 [1,1,0,0,0,0|1,0,1]=4 632 B10R1.113 [13CH3]C(=O)c1cccc(c1)Br 1458a_100000210664_200025704644 [1,1,0,0,0,0|1,0,0]=3 633 B10R1.113 [13CH3]C(=O)c1cccc(c1)Cl 1458a_100000210390_200025704644 [1,1,0,0,0,0|1,0,0]=3 634 B10R1.113 [13CH3]C(=O)c1cccc(c1)F 1458a_100000210950_200025704644 [1,1,0,0,0,0|1,0,0]=3 635 B10R1.113 [13CH3]C(=O)c1cccc(c1)I 1458a_100000184098_200025704644 [1,1,0,0,0,0|1,0,0]=3 636 B10R1.113 [13CH3]C(=O)c1cccc(c1)O 1458a_100000183914_200025704644 [1,1,0,0,0,0|1,0,0]=3 637 B10R1.1 C/C=C/c1ccc(cc1)O 271570a_203496583355_100016259036 [1,1,0,0,0,0|2,0,0]=4 638 B10R1.1 C=C=Cc1ccc(cc1)Br 271570a_100015277604_100000752885 [1,1,0,0,0,0|2,0,0]=4 639 B10R1.1 C=C=Cc1ccc(cc1)C 271570a_100015277604_100000186775 [1,1,0,0,0,0|2,0,0]=4 640 B10R1.1 C=C=Cc1ccc(cc1)Cl 271570a_100015277604_100000755918 [1,1,0,0,0,0|2,0,0]=4 641 B10R1.1 C=C=Cc1ccc(cc1)F 271570a_100015277604_100000211213 [1,1,0,0,0,0|2,0,0]=4 642 B10R1.1 C=C=Cc1ccc(cc1)N 271570a_100015277604_100000185761 [1,1,0,0,0,0|2,0,0]=4 643 B10R1.1 C=C=Cc1ccc(cc1)O 271570a_100015277604_100000185759 [1,1,0,0,0,0|2,0,0]=4 644 B10R1.1 CC=Cc1ccc(cc1)Br 271570a_100016259895_100000752885 [1,1,0,0,0,0|2,0,0]=4 645 B10R1.1 CC=Cc1ccc(cc1)C 271570a_100016259895_100000186775 [1,1,0,0,0,0|2,0,0]=4 646 B10R1.1 CC=Cc1ccc(cc1)Cl 271570a_100016259895_100000755918 [1,1,0,0,0,0|2,0,0]=4 647 B10R1.1 CC=Cc1ccc(cc1)F 271570a_100016259895_100000211213 [1,1,0,0,0,0|2,0,0]=4 648 B10R1.1 CC=Cc1ccc(cc1)N 271570a_100016259895_100000185761 [1,1,0,0,0,0|2,0,0]=4 649 B10R1.1 CC=Cc1ccc(cc1)O 271570a_100016259895_100000185759 [1,1,0,0,0,0|2,0,0]=4 650 B10R1.1 CNCc1ccc(cc1)Br 207a_100102657272_100000186029 [1,1,0,0,0,0|1,0,1]=4 651 B10R1.1 CNCc1ccc(cc1)Br 2230a_100000174875_200000210301 [1,1,0,0,0,0|1,0,1]=4 652 B10R1.1 CNCc1ccc(cc1)Br 2230a_106832991635_100011217064 [1,1,0,0,0,0|1,0,1]=4 653 B10R1.1 CNCc1ccc(cc1)Br 26a_100102657272_100000185759 [1,1,0,0,0,0|1,0,1]=4 654 B10R1.1 CNCc1ccc(cc1)Br 270004a_106832991635_100000186029 [1,1,0,0,0,0|1,0,1]=4 655 B10R1.1 CNCc1ccc(cc1)Br 34a_100000174875_200000210301 [1,1,0,0,0,0|1,0,1]=4 656 B10R1.1 CNCc1ccc(cc1)Br 34a_100102657272_100000189115 [1,1,0,0,0,0|1,0,1]=4 657 B10R1.1 CNCc1ccc(cc1)Br 7a_106832991635_100011217064 [1,1,0,0,0,0|1,0,1]=4 658 B10R1.1 CNCc1ccc(cc1)C 207a_100102657272_100000211033 [1,1,0,0,0,0|1,0,1]=4 659 B10R1.1 CNCc1ccc(cc1)C 2230a_100000174908_200000210301 [1,1,0,0,0,0|1,0,1]=4 660 B10R1.1 CNCc1ccc(cc1)C 2230a_106832991635_100000210814 [1,1,0,0,0,0|1,0,1]=4 661 B10R1.1 CNCc1ccc(cc1)C 26a_100102657272_200020625495 [1,1,0,0,0,0|1,0,1]=4 662 B10R1.1 CNCc1ccc(cc1)C 270004a_106832991635_100000211033 [1,1,0,0,0,0|1,0,1]=4 663 B10R1.1 CNCc1ccc(cc1)C 34a_100000174908_200000210301 [1,1,0,0,0,0|1,0,1]=4 664 B10R1.1 CNCc1ccc(cc1)C 34a_100102657272_100000210814 [1,1,0,0,0,0|1,0,1]=4 665 B10R1.1 CNCc1ccc(cc1)C 7a_106832991635_100000210814 [1,1,0,0,0,0|1,0,1]=4 666 B10R1.1 CNCc1ccc(cc1)Cl 207a_100102657272_100000189385 [1,1,0,0,0,0|1,0,1]=4 667 B10R1.1 CNCc1ccc(cc1)Cl 2230a_100000174871_200000210301 [1,1,0,0,0,0|1,0,1]=4 668 B10R1.1 CNCc1ccc(cc1)Cl 2230a_106832991635_100000694040 [1,1,0,0,0,0|1,0,1]=4 669 B10R1.1 CNCc1ccc(cc1)Cl 270004a_106832991635_100000189385 [1,1,0,0,0,0|1,0,1]=4 670 B10R1.1 CNCc1ccc(cc1)Cl 34a_100000174871_200000210301 [1,1,0,0,0,0|1,0,1]=4 671 B10R1.1 CNCc1ccc(cc1)Cl 34a_100102657272_100000694040 [1,1,0,0,0,0|1,0,1]=4 672 B10R1.1 CNCc1ccc(cc1)Cl 7a_106832991635_100000187161 [1,1,0,0,0,0|1,0,1]=4 673 B10R1.1 CNCc1ccc(cc1)F 207a_100102657272_100000210084 [1,1,0,0,0,0|1,0,1]=4 674 B10R1.1 CNCc1ccc(cc1)F 2230a_100000174882_200000210301 [1,1,0,0,0,0|1,0,1]=4 675 B10R1.1 CNCc1ccc(cc1)F 2230a_106832991635_100000198546 [1,1,0,0,0,0|1,0,1]=4 676 B10R1.1 CNCc1ccc(cc1)F 270004a_106832991635_100000210084 [1,1,0,0,0,0|1,0,1]=4 677 B10R1.1 CNCc1ccc(cc1)F 34a_100000174882_200000210301 [1,1,0,0,0,0|1,0,1]=4 678 B10R1.1 CNCc1ccc(cc1)F 34a_100102657272_100000198546 [1,1,0,0,0,0|1,0,1]=4 679 B10R1.1 CNCc1ccc(cc1)F 7a_106832991635_100000198546 [1,1,0,0,0,0|1,0,1]=4 680 B10R1.1 CNCc1ccc(cc1)I 207a_100102657272_100000188517 [1,1,0,0,0,0|1,0,1]=4 681 B10R1.1 CNCc1ccc(cc1)I 2230a_100016989417_200000210301 [1,1,0,0,0,0|1,0,1]=4 682 B10R1.1 CNCc1ccc(cc1)I 2230a_106832991635_100000189116 [1,1,0,0,0,0|1,0,1]=4 683 B10R1.1 CNCc1ccc(cc1)I 34a_100016989417_200000210301 [1,1,0,0,0,0|1,0,1]=4 684 B10R1.1 CNCc1ccc(cc1)I 34a_100102657272_100000189116 [1,1,0,0,0,0|1,0,1]=4 685 B10R1.1 CNCc1ccc(cc1)I 7a_106832991635_100000189116 [1,1,0,0,0,0|1,0,1]=4 686 B10R1.1 CNCc1ccc(cc1)O 271570a_203496583355_100000180866 [1,1,0,0,0,0|1,0,1]=4 687 B10R1.1 CNCc1ccc(cc1)O 34a_100000185549_200000210301 [1,1,0,0,0,0|1,0,1]=4 688 B10R1.1 Cc1ccc(cc1)CN[13CH3] 2230a_100000174908_200025704644 [1,1,0,0,0,0|1,0,1]=4 689 B10R1.1 Cc1ccc(cc1)CN[13CH3] 34a_100000174908_200025704644 [1,1,0,0,0,0|1,0,1]=4 690 B10R1.1 NNCc1ccc(cc1)O 271570a_203496583355_100016993955 [1,1,0,0,0,0|1,0,1]=4 691 B10R1.1 OCCc1ccc(cc1)O 271570a_203496583355_100000766406 [1,1,0,0,0,0|1,0,1]=4 692 B10R1.1 Oc1ccc(cc1)/C=C/Br 271570a_203496583355_200016255901 [1,1,0,0,0,0|2,0,0]=4 693 B10R1.1 [13CH3]NCc1ccc(cc1)Br 2230a_100000174875_200025704644 [1,1,0,0,0,0|1,0,1]=4 694 B10R1.1 [13CH3]NCc1ccc(cc1)Br 34a_100000174875_200025704644 [1,1,0,0,0,0|1,0,1]=4 695 B10R1.1 [13CH3]NCc1ccc(cc1)Cl 2230a_100000174871_200025704644 [1,1,0,0,0,0|1,0,1]=4 696 B10R1.1 [13CH3]NCc1ccc(cc1)Cl 34a_100000174871_200025704644 [1,1,0,0,0,0|1,0,1]=4 697 B10R1.1 [13CH3]NCc1ccc(cc1)F 2230a_100000174882_200025704644 [1,1,0,0,0,0|1,0,1]=4 698 B10R1.1 [13CH3]NCc1ccc(cc1)F 34a_100000174882_200025704644 [1,1,0,0,0,0|1,0,1]=4 699 B10R1.1 [13CH3]NCc1ccc(cc1)I 2230a_100016989417_200025704644 [1,1,0,0,0,0|1,0,1]=4 700 B10R1.1 [13CH3]NCc1ccc(cc1)I 34a_100016989417_200025704644 [1,1,0,0,0,0|1,0,1]=4 701 B10R1.1 [13CH3]NCc1ccc(cc1)O 34a_100000185549_200025704644 [1,1,0,0,0,0|1,0,1]=4 702 B10R1.4 C=C=Cc1ccccc1Br 271570a_100015277604_100000695589 [1,1,0,0,0,0|2,0,0]=4 703 B10R1.4 C=C=Cc1ccccc1C 271570a_100015277604_100000210755 [1,1,0,0,0,0|2,0,0]=4 704 B10R1.4 C=C=Cc1ccccc1Cl 271570a_100015277604_100000764095 [1,1,0,0,0,0|2,0,0]=4 705 B10R1.4 C=C=Cc1ccccc1F 271570a_100015277604_100011215700 [1,1,0,0,0,0|2,0,0]=4 706 B10R1.4 C=C=Cc1ccccc1N 271570a_100015277604_100000210017 [1,1,0,0,0,0|2,0,0]=4 707 B10R1.4 C=C=Cc1ccccc1O 271570a_100015277604_100000739446 [1,1,0,0,0,0|2,0,0]=4 708 B10R1.4 CC=Cc1ccccc1Br 271570a_100016259895_100000695589 [1,1,0,0,0,0|2,0,0]=4 709 B10R1.4 CC=Cc1ccccc1C 271570a_100016259895_100000210755 [1,1,0,0,0,0|2,0,0]=4 710 B10R1.4 CC=Cc1ccccc1Cl 271570a_100016259895_100000764095 [1,1,0,0,0,0|2,0,0]=4 711 B10R1.4 CC=Cc1ccccc1F 271570a_100016259895_100011215700 [1,1,0,0,0,0|2,0,0]=4 712 B10R1.4 CC=Cc1ccccc1N 271570a_100016259895_100000210017 [1,1,0,0,0,0|2,0,0]=4 713 B10R1.4 CC=Cc1ccccc1O 271570a_100016259895_100000739446 [1,1,0,0,0,0|2,0,0]=4 714 B10R1.4 CNCc1ccccc1Br 207a_100102657272_100000211189 [1,1,0,0,0,0|1,0,1]=4 715 B10R1.4 CNCc1ccccc1Br 2230a_100000689332_200000210301 [1,1,0,0,0,0|1,0,1]=4 716 B10R1.4 CNCc1ccccc1Br 2230a_106832991635_100000184730 [1,1,0,0,0,0|1,0,1]=4 717 B10R1.4 CNCc1ccccc1Br 26a_100102657272_100000181306 [1,1,0,0,0,0|1,0,1]=4 718 B10R1.4 CNCc1ccccc1Br 270004a_106832991635_100000211189 [1,1,0,0,0,0|1,0,1]=4 719 B10R1.4 CNCc1ccccc1Br 34a_100000689332_200000210301 [1,1,0,0,0,0|1,0,1]=4 720 B10R1.4 CNCc1ccccc1Br 34a_100102657272_100000184730 [1,1,0,0,0,0|1,0,1]=4 721 B10R1.4 CNCc1ccccc1Br 7a_106832991635_100000184730 [1,1,0,0,0,0|1,0,1]=4 722 B10R1.4 CNCc1ccccc1C 207a_100102657272_100000211143 [1,1,0,0,0,0|1,0,1]=4 723 B10R1.4 CNCc1ccccc1C 2230a_106832991635_100000211839 [1,1,0,0,0,0|1,0,1]=4 724 B10R1.4 CNCc1ccccc1C 270004a_106832991635_100000211143 [1,1,0,0,0,0|1,0,1]=4 725 B10R1.4 CNCc1ccccc1C 34a_100000174972_200000210301 [1,1,0,0,0,0|1,0,1]=4 726 B10R1.4 CNCc1ccccc1C 34a_100102657272_100000211839 [1,1,0,0,0,0|1,0,1]=4 727 B10R1.4 CNCc1ccccc1C 7a_106832991635_100000211839 [1,1,0,0,0,0|1,0,1]=4 728 B10R1.4 CNCc1ccccc1Cl 207a_100102657272_100000210073 [1,1,0,0,0,0|1,0,1]=4 729 B10R1.4 CNCc1ccccc1Cl 2230a_100000174879_200000210301 [1,1,0,0,0,0|1,0,1]=4 730 B10R1.4 CNCc1ccccc1Cl 2230a_106832991635_100000187162 [1,1,0,0,0,0|1,0,1]=4 731 B10R1.4 CNCc1ccccc1Cl 26a_100102657272_100000210172 [1,1,0,0,0,0|1,0,1]=4 732 B10R1.4 CNCc1ccccc1Cl 270004a_106832991635_100000210073 [1,1,0,0,0,0|1,0,1]=4 733 B10R1.4 CNCc1ccccc1Cl 34a_100000174879_200000210301 [1,1,0,0,0,0|1,0,1]=4 734 B10R1.4 CNCc1ccccc1Cl 34a_100102657272_100000187162 [1,1,0,0,0,0|1,0,1]=4 735 B10R1.4 CNCc1ccccc1Cl 7a_106832991635_100000187162 [1,1,0,0,0,0|1,0,1]=4 736 B10R1.4 CNCc1ccccc1F 207a_100102657272_100000210811 [1,1,0,0,0,0|1,0,1]=4 737 B10R1.4 CNCc1ccccc1F 2230a_106832991635_100000211605 [1,1,0,0,0,0|1,0,1]=4 738 B10R1.4 CNCc1ccccc1F 270004a_106832991635_100000210811 [1,1,0,0,0,0|1,0,1]=4 739 B10R1.4 CNCc1ccccc1F 34a_100000174869_200000210301 [1,1,0,0,0,0|1,0,1]=4 740 B10R1.4 CNCc1ccccc1F 34a_100102657272_100000211605 [1,1,0,0,0,0|1,0,1]=4 741 B10R1.4 CNCc1ccccc1F 7a_106832991635_100000211605 [1,1,0,0,0,0|1,0,1]=4 742 B10R1.4 CNCc1ccccc1I 207a_100102657272_100000010305 [1,1,0,0,0,0|1,0,1]=4 743 B10R1.4 CNCc1ccccc1I 2230a_106832991635_100011215278 [1,1,0,0,0,0|1,0,1]=4 744 B10R1.4 CNCc1ccccc1I 270004a_106832991635_100000010305 [1,1,0,0,0,0|1,0,1]=4 745 B10R1.4 CNCc1ccccc1I 34a_100102657272_100011215278 [1,1,0,0,0,0|1,0,1]=4 746 B10R1.4 CNCc1ccccc1I 7a_106832991635_100011215278 [1,1,0,0,0,0|1,0,1]=4 747 B10R1.4 CNCc1ccccc1O 271570a_203496583355_100000184654 [1,1,0,0,0,0|1,0,1]=4 748 B10R1.4 CNCc1ccccc1O 34a_100000185550_200000210301 [1,1,0,0,0,0|1,0,1]=4 749 B10R1.4 Cc1ccccc1CN[13CH3] 34a_100000174972_200025704644 [1,1,0,0,0,0|1,0,1]=4 750 B10R1.4 NNCc1ccccc1O 271570a_203496583355_200016993956 [1,1,0,0,0,0|1,0,1]=4 751 B10R1.4 OCCc1ccccc1O 271570a_203496583355_100000731337 [1,1,0,0,0,0|1,0,1]=4 752 B10R1.4 [13CH3]NCc1ccccc1Br 2230a_100000689332_200025704644 [1,1,0,0,0,0|1,0,1]=4 753 B10R1.4 [13CH3]NCc1ccccc1Br 34a_100000689332_200025704644 [1,1,0,0,0,0|1,0,1]=4 754 B10R1.4 [13CH3]NCc1ccccc1Cl 2230a_100000174879_200025704644 [1,1,0,0,0,0|1,0,1]=4 755 B10R1.4 [13CH3]NCc1ccccc1Cl 34a_100000174879_200025704644 [1,1,0,0,0,0|1,0,1]=4 756 B10R1.4 [13CH3]NCc1ccccc1F 34a_100000174869_200025704644 [1,1,0,0,0,0|1,0,1]=4 757 B10R1.4 [13CH3]NCc1ccccc1O 34a_100000185550_200025704644 [1,1,0,0,0,0|1,0,1]=4 758 B10R1.10 C=C=Cc1cccc(c1)Br 271570a_100015277604_100000691529 [1,1,0,0,0,0|2,0,0]=4 759 B10R1.10 C=C=Cc1cccc(c1)C 271570a_100015277604_100011215228 [1,1,0,0,0,0|2,0,0]=4 760 B10R1.10 C=C=Cc1cccc(c1)Cl 271570a_100015277604_100000699651 [1,1,0,0,0,0|2,0,0]=4 761 B10R1.10 C=C=Cc1cccc(c1)F 271570a_100015277604_100000685547 [1,1,0,0,0,0|2,0,0]=4 762 B10R1.10 C=C=Cc1cccc(c1)N 271570a_100015277604_100000210019 [1,1,0,0,0,0|2,0,0]=4 763 B10R1.10 C=C=Cc1cccc(c1)O 271570a_100015277604_100000211634 [1,1,0,0,0,0|2,0,0]=4 764 B10R1.10 C=C=Cc1cccc(c1)[S] 271570a_100015277604_114929384022 [1,1,0,0,0,0|2,0,0]=4 765 B10R1.10 CC=Cc1cccc(c1)Br 271570a_100016259895_100000691529 [1,1,0,0,0,0|2,0,0]=4 766 B10R1.10 CC=Cc1cccc(c1)C 271570a_100016259895_100011215228 [1,1,0,0,0,0|2,0,0]=4 767 B10R1.10 CC=Cc1cccc(c1)Cl 271570a_100016259895_100000699651 [1,1,0,0,0,0|2,0,0]=4 768 B10R1.10 CC=Cc1cccc(c1)F 271570a_100016259895_100000685547 [1,1,0,0,0,0|2,0,0]=4 769 B10R1.10 CC=Cc1cccc(c1)N 271570a_100016259895_100000210019 [1,1,0,0,0,0|2,0,0]=4 770 B10R1.10 CC=Cc1cccc(c1)O 271570a_100016259895_100000211634 [1,1,0,0,0,0|2,0,0]=4 771 B10R1.10 CC=Cc1cccc(c1)[S] 271570a_100016259895_114929384022 [1,1,0,0,0,0|2,0,0]=4 772 B10R1.10 CNCc1cccc(c1)Br 207a_100102657272_100000210085 [1,1,0,0,0,0|1,0,1]=4 773 B10R1.10 CNCc1cccc(c1)Br 2230a_100000174977_200000210301 [1,1,0,0,0,0|1,0,1]=4 774 B10R1.10 CNCc1cccc(c1)Br 2230a_106832991635_100000698116 [1,1,0,0,0,0|1,0,1]=4 775 B10R1.10 CNCc1cccc(c1)Br 26a_100102657272_100000210342 [1,1,0,0,0,0|1,0,1]=4 776 B10R1.10 CNCc1cccc(c1)Br 270004a_106832991635_100000210085 [1,1,0,0,0,0|1,0,1]=4 777 B10R1.10 CNCc1cccc(c1)Br 34a_100000174977_200000210301 [1,1,0,0,0,0|1,0,1]=4 778 B10R1.10 CNCc1cccc(c1)Br 34a_100102657272_100000698116 [1,1,0,0,0,0|1,0,1]=4 779 B10R1.10 CNCc1cccc(c1)Br 7a_106832991635_100000211773 [1,1,0,0,0,0|1,0,1]=4 780 B10R1.10 CNCc1cccc(c1)C 207a_100102657272_100000211157 [1,1,0,0,0,0|1,0,1]=4 781 B10R1.10 CNCc1cccc(c1)C 2230a_100000185548_200000210301 [1,1,0,0,0,0|1,0,1]=4 782 B10R1.10 CNCc1cccc(c1)C 2230a_106832991635_100000211840 [1,1,0,0,0,0|1,0,1]=4 783 B10R1.10 CNCc1cccc(c1)C 270004a_106832991635_100000211157 [1,1,0,0,0,0|1,0,1]=4 784 B10R1.10 CNCc1cccc(c1)C 34a_100000185548_200000210301 [1,1,0,0,0,0|1,0,1]=4 785 B10R1.10 CNCc1cccc(c1)C 34a_100102657272_100000211840 [1,1,0,0,0,0|1,0,1]=4 786 B10R1.10 CNCc1cccc(c1)C 7a_106832991635_100000211840 [1,1,0,0,0,0|1,0,1]=4 787 B10R1.10 CNCc1cccc(c1)Cl 207a_100102657272_100000210801 [1,1,0,0,0,0|1,0,1]=4 788 B10R1.10 CNCc1cccc(c1)Cl 2230a_100000174878_200000210301 [1,1,0,0,0,0|1,0,1]=4 789 B10R1.10 CNCc1cccc(c1)Cl 2230a_106832991635_100000181238 [1,1,0,0,0,0|1,0,1]=4 790 B10R1.10 CNCc1cccc(c1)Cl 270004a_106832991635_100000210801 [1,1,0,0,0,0|1,0,1]=4 791 B10R1.10 CNCc1cccc(c1)Cl 34a_100000174878_200000210301 [1,1,0,0,0,0|1,0,1]=4 792 B10R1.10 CNCc1cccc(c1)Cl 34a_100102657272_100000187163 [1,1,0,0,0,0|1,0,1]=4 793 B10R1.10 CNCc1cccc(c1)Cl 7a_106832991635_100000187163 [1,1,0,0,0,0|1,0,1]=4 794 B10R1.10 CNCc1cccc(c1)F 207a_100102657272_100000210812 [1,1,0,0,0,0|1,0,1]=4 795 B10R1.10 CNCc1cccc(c1)F 2230a_100000174948_200000210301 [1,1,0,0,0,0|1,0,1]=4 796 B10R1.10 CNCc1cccc(c1)F 2230a_106832991635_100000230114 [1,1,0,0,0,0|1,0,1]=4 797 B10R1.10 CNCc1cccc(c1)F 270004a_106832991635_100000210812 [1,1,0,0,0,0|1,0,1]=4 798 B10R1.10 CNCc1cccc(c1)F 34a_100000174948_200000210301 [1,1,0,0,0,0|1,0,1]=4 799 B10R1.10 CNCc1cccc(c1)F 34a_100102657272_100000187166 [1,1,0,0,0,0|1,0,1]=4 800 B10R1.10 CNCc1cccc(c1)F 7a_106832991635_100000230114 [1,1,0,0,0,0|1,0,1]=4 801 B10R1.10 CNCc1cccc(c1)I 207a_100102657272_100000014684 [1,1,0,0,0,0|1,0,1]=4 802 B10R1.10 CNCc1cccc(c1)I 2230a_100000106179_200000210301 [1,1,0,0,0,0|1,0,1]=4 803 B10R1.10 CNCc1cccc(c1)I 2230a_106832991635_100011218688 [1,1,0,0,0,0|1,0,1]=4 804 B10R1.10 CNCc1cccc(c1)I 270004a_106832991635_100000014684 [1,1,0,0,0,0|1,0,1]=4 805 B10R1.10 CNCc1cccc(c1)I 34a_100000106179_200000210301 [1,1,0,0,0,0|1,0,1]=4 806 B10R1.10 CNCc1cccc(c1)I 34a_100102657272_100011218688 [1,1,0,0,0,0|1,0,1]=4 807 B10R1.10 CNCc1cccc(c1)I 7a_106832991635_100011218688 [1,1,0,0,0,0|1,0,1]=4 808 B10R1.10 CNCc1cccc(c1)O 207a_100102657272_100000188321 [1,1,0,0,0,0|1,0,1]=4 809 B10R1.10 CNCc1cccc(c1)O 2230a_100000743036_200000210301 [1,1,0,0,0,0|1,0,1]=4 810 B10R1.10 CNCc1cccc(c1)O 2230a_106832991635_100011660834 [1,1,0,0,0,0|1,0,1]=4 811 B10R1.10 CNCc1cccc(c1)O 270004a_106832991635_100000188321 [1,1,0,0,0,0|1,0,1]=4 812 B10R1.10 CNCc1cccc(c1)O 271570a_203496583355_100000187585 [1,1,0,0,0,0|1,0,1]=4 813 B10R1.10 CNCc1cccc(c1)O 34a_100000743036_200000210301 [1,1,0,0,0,0|1,0,1]=4 814 B10R1.10 CNCc1cccc(c1)O 34a_100102657272_100011660834 [1,1,0,0,0,0|1,0,1]=4 815 B10R1.10 CNCc1cccc(c1)O 7a_106832991635_100000084143 [1,1,0,0,0,0|1,0,1]=4 816 B10R1.10 Cc1cccc(c1)CN[13CH3] 2230a_100000185548_200025704644 [1,1,0,0,0,0|1,0,1]=4 817 B10R1.10 Cc1cccc(c1)CN[13CH3] 34a_100000185548_200025704644 [1,1,0,0,0,0|1,0,1]=4 818 B10R1.10 NNCc1cccc(c1)O 271570a_203496583355_100000686200 [1,1,0,0,0,0|1,0,1]=4 819 B10R1.10 OCCc1cccc(c1)O 271570a_203496583355_100011217444 [1,1,0,0,0,0|1,0,1]=4 820 B10R1.10 [13CH3]NCc1cccc(c1)Br 2230a_100000174977_200025704644 [1,1,0,0,0,0|1,0,1]=4 821 B10R1.10 [13CH3]NCc1cccc(c1)Br 34a_100000174977_200025704644 [1,1,0,0,0,0|1,0,1]=4 822 B10R1.10 [13CH3]NCc1cccc(c1)Cl 2230a_100000174878_200025704644 [1,1,0,0,0,0|1,0,1]=4 823 B10R1.10 [13CH3]NCc1cccc(c1)Cl 34a_100000174878_200025704644 [1,1,0,0,0,0|1,0,1]=4 824 B10R1.10 [13CH3]NCc1cccc(c1)F 2230a_100000174948_200025704644 [1,1,0,0,0,0|1,0,1]=4 825 B10R1.10 [13CH3]NCc1cccc(c1)F 34a_100000174948_200025704644 [1,1,0,0,0,0|1,0,1]=4 826 B10R1.10 [13CH3]NCc1cccc(c1)I 2230a_100000106179_200025704644 [1,1,0,0,0,0|1,0,1]=4 827 B10R1.10 [13CH3]NCc1cccc(c1)I 34a_100000106179_200025704644 [1,1,0,0,0,0|1,0,1]=4 828 B10R1.10 [13CH3]NCc1cccc(c1)O 2230a_100000743036_200025704644 [1,1,0,0,0,0|1,0,1]=4 829 B10R1.10 [13CH3]NCc1cccc(c1)O 34a_100000743036_200025704644 [1,1,0,0,0,0|1,0,1]=4 830 B10R1.17 CCNCc1ccccc1 207a_100015525214_100015611070 [1,1,0,0,0,0|1,0,1]=4 831 B10R1.17 CCNCc1ccccc1 2230a_100015324214_100000210202 [1,1,0,0,0,0|1,0,1]=4 832 B10R1.17 CCNCc1ccccc1 2230a_100015525214_100015291786 [1,1,0,0,0,0|1,0,1]=4 833 B10R1.17 CCNCc1ccccc1 270004a_100015525214_100015611070 [1,1,0,0,0,0|1,0,1]=4 834 B10R1.17 CCNCc1ccccc1 34a_100015324214_100000210202 [1,1,0,0,0,0|1,0,1]=4 835 B10R1.17 CNCCc1ccccc1 2230a_100000106460_200000210301 [1,1,0,0,0,0|1,0,1]=4 836 B10R1.17 CNCCc1ccccc1 2230a_106832991635_100000765856 [1,1,0,0,0,0|1,0,1]=4 837 B10R1.17 CNCCc1ccccc1 34a_100000106460_200000210301 [1,1,0,0,0,0|1,0,1]=4 838 B10R1.17 CNCCc1ccccc1 34a_100102657272_100000765856 [1,1,0,0,0,0|1,0,1]=4 839 B10R1.17 CNCCc1ccccc1 7a_106832991635_100000765856 [1,1,0,0,0,0|1,0,1]=4 840 B10R1.17 CNCSc1ccccc1 2230a_106832991635_100011218342 [1,1,0,0,0,0|1,0,1]=4 841 B10R1.17 COCCc1ccccc1 34a_100000210268_200000210301 [1,1,0,0,0,0|1,0,1]=4 842 B10R1.17 COCCc1ccccc1 34a_100138415774_100000765856 [1,1,0,0,0,0|1,0,1]=4 843 B10R1.17 COCCc1ccccc1 7a_100000210268_200000210301 [1,1,0,0,0,0|1,0,1]=4 844 B10R1.17 COCSc1ccccc1 62a_100000719477_100000766300 [1,1,0,0,0,0|2,0,0]=4 845 B10R1.17 COCSc1ccccc1 62a_100000766300_100000041952 [1,1,0,0,0,0|2,0,0]=4 846 B10R1.17 FCNCc1ccccc1 34a_100015324214_100015361967 [1,1,0,0,0,0|1,0,1]=4 847 B10R1.17 OCCNc1ccccc1 34a_100000106764_100000211926 [1,1,0,0,0,0|1,0,1]=4 848 B10R1.17 OCCOc1ccccc1 34a_100000210340_100000211926 [1,1,0,0,0,0|1,0,1]=4 849 B10R1.17 OCCOc1ccccc1 7a_100000210340_100000211926 [1,1,0,0,0,0|1,0,1]=4 850 B10R1.17 OCCSc1ccccc1 62a_100000211926_100000041952 [1,1,0,0,0,0|1,0,1]=4 851 B10R1.17 OCCSc1ccccc1 62a_100000719477_100000211926 [1,1,0,0,0,0|1,0,1]=4 852 B10R1.17 [13CH3]NCCc1ccccc1 2230a_100000106460_200025704644 [1,1,0,0,0,0|1,0,1]=4 853 B10R1.17 [13CH3]NCCc1ccccc1 34a_100000106460_200025704644 [1,1,0,0,0,0|1,0,1]=4 854 B10R1.17 [13CH3]OCCc1ccccc1 34a_100000210268_200025704644 [1,1,0,0,0,0|1,0,1]=4 855 B10R1.17 [13CH3]OCCc1ccccc1 7a_100000210268_200025704644 [1,1,0,0,0,0|1,0,1]=4 856 B10R1.18 CC(=Cc1ccccc1)C 271570a_100102525489_100000210277 [1,1,0,0,0,0|2,0,0]=4 857 B10R1.18 CN(C)Cc1ccccc1 2230a_100000186898_200000210301 [1,1,0,0,0,0|1,0,1]=4 858 B10R1.18 CN(C)Cc1ccccc1 2230a_100102631434_100015291786 [1,1,0,0,0,0|1,0,1]=4 859 B10R1.18 CN(C)Cc1ccccc1 269982a_100000186898_200000210301 [1,1,0,0,0,0|1,0,1]=4 860 B10R1.18 CN(C)Cc1ccccc1 269982a_100102631434_100000211182 [1,1,0,0,0,0|1,0,1]=4 861 B10R1.18 CN(C)Cc1ccccc1 270004a_100102631434_100015611070 [1,1,0,0,0,0|1,0,1]=4 862 B10R1.18 CN([13CH3])Cc1ccccc1 2230a_100000186898_200025704644 [1,1,0,0,0,0|1,0,1]=4 863 B10R1.18 CN([13CH3])Cc1ccccc1 269982a_100000186898_200025704644 [1,1,0,0,0,0|1,0,1]=4 864 B10R1.11 CNCC(=O)c1ccc[nH]1 7a_106832991635_200011262396 [0,1,0,0,1,0|2,0,0]=4 865 B10R1.11 CNCC(=O)c1ccco1 7a_106832991635_100000211439 [0,1,0,0,1,0|2,0,0]=4 866 B10R1.11 CNCC(=O)c1cccs1 2230a_106832991635_100000211436 [0,1,0,0,1,0|2,0,0]=4 867 B10R1.11 CNCC(=O)c1cccs1 7a_106832991635_100000211436 [0,1,0,0,1,0|2,0,0]=4 868 B10R1.11 CNCC(=O)c1ccsc1 2230a_106832991635_100011219462 [0,1,0,0,1,0|2,0,0]=4 869 B10R1.11 CNCC(=O)c1ccsc1 34a_100102657272_100011219462 [0,1,0,0,1,0|2,0,0]=4 870 B10R1.11 CNCC(=O)c1ccsc1 7a_106832991635_100011219462 [0,1,0,0,1,0|2,0,0]=4 871 B10R1.11 COCC(=O)c1ccsc1 34a_100138415774_100011219462 [0,1,0,0,1,0|2,0,0]=4 872 B10R1.14 CNC(=O)c1ccc(o1)O 271570a_203496583355_100000159859 [0,1,0,0,1,0|2,0,0]=4 873 B10R1.14 CNC(=O)c1ccc(s1)O 271570a_203496583355_200000155069 [0,1,0,0,1,0|2,0,0]=4 874 B10R1.14 NNC(=O)c1ccc(o1)O 271570a_203496583355_100000186364 [0,1,0,0,1,0|2,0,0]=4 875 B10R1.14 NNC(=O)c1ccc(s1)O 271570a_203496583355_100000180196 [0,1,0,0,1,0|2,0,0]=4 876 B12R1.32 C#CCC(=O)Cc1ccccc1 1458a_100011220946_100015291786 [0,1,0,0,0,1|2,0,0]=4 877 B12R1.32 C#CCC(=O)Nc1ccccc1 1626a_100000106764_100011220946 [0,1,0,0,0,1|2,0,0]=4 878 B12R1.32 C#CCC(=O)Nc1ccccc1 527a_100000106764_100011220946 [0,1,0,0,0,1|2,0,0]=4 879 B12R1.32 C/C(=C\c1ccccc1)/CO[13CH3] 34a_200025717232_200025704644 [0,1,0,0,0,1|2,0,0]=4 880 B12R1.32 C/C(=C\c1ccccc1)/CO[13CH3] 7a_200025717232_200025704644 [0,1,0,0,0,1|2,0,0]=4 881 B12R1.32 C=CCC(=O)Cc1ccccc1 1458a_100000210193_100015291786 [0,1,0,0,0,1|2,0,0]=4 882 B12R1.32 C=CCC(=O)Nc1ccccc1 11a_100000106764_100000210193 [0,1,0,0,0,1|2,0,0]=4 883 B12R1.32 C=CCC(=O)Nc1ccccc1 1626a_100000106764_100000210193 [0,1,0,0,0,1|2,0,0]=4 884 B12R1.32 C=CCC(=O)Nc1ccccc1 22a_100000106764_100000210193 [0,1,0,0,0,1|2,0,0]=4 885 B12R1.32 C=CCC(=O)Nc1ccccc1 527a_100000106764_100000210193 [0,1,0,0,0,1|2,0,0]=4 886 B12R1.32 CC#CC(=O)Cc1ccccc1 1458a_100000763181_100015291786 [0,1,0,0,0,1|2,0,0]=4 887 B12R1.32 CC#CC(=O)Nc1ccccc1 22a_100000106764_100000763181 [0,1,0,0,0,1|2,0,0]=4 888 B12R1.32 CC=CC(=O)Cc1ccccc1 1458a_100000210699_100015291786 [0,1,0,0,0,1|2,0,0]=4 889 B12R1.32 CC=CC(=O)Nc1ccccc1 11a_100000106764_100000210699 [0,1,0,0,0,1|2,0,0]=4 890 B12R1.32 CC=CC(=O)Nc1ccccc1 1626a_100000106764_100000210699 [0,1,0,0,0,1|2,0,0]=4 891 B12R1.32 CC=CC(=O)Nc1ccccc1 22a_100000106764_100000210699 [0,1,0,0,0,1|2,0,0]=4 892 B12R1.32 CCCC(=O)Cc1ccccc1 1458a_100000211992_100015291786 [0,1,0,0,0,1|2,0,0]=4 893 B12R1.32 CCCC(=O)Nc1ccccc1 11a_100000106764_100000211992 [0,1,0,0,0,1|2,0,0]=4 894 B12R1.32 CCCC(=O)Nc1ccccc1 1626a_100000106764_100000211992 [0,1,0,0,0,1|2,0,0]=4 895 B12R1.32 CCCC(=O)Nc1ccccc1 22a_100000106764_100000211992 [0,1,0,0,0,1|2,0,0]=4 896 B12R1.32 CCCC(=O)Nc1ccccc1 527a_100000106764_100000211992 [0,1,0,0,0,1|2,0,0]=4 897 B12R1.32 CCNC(=O)C[n+]1ccccc1 11a_100015525214_200000086051 [0,1,0,0,0,1|2,0,0]=4 898 B12R1.32 CCNC(=O)C[n+]1ccccc1 240690a_100015525214_200000086051 [0,1,0,0,0,1|2,0,0]=4 899 B12R1.32 CCNC(=O)C[n+]1ccccc1 527a_100015525214_200000086051 [0,1,0,0,0,1|2,0,0]=4 900 B12R1.32 CCNC(=O)Cc1ccccn1 11a_100015525214_100000233486 [0,1,0,0,0,1|2,0,0]=4 901 B12R1.32 CCNC(=O)Cc1cccnc1 11a_100015525214_100000737805 [0,1,0,0,0,1|2,0,0]=4 902 B12R1.32 CCNC(=O)Cc1cccnc1 240690a_100015525214_100000737805 [0,1,0,0,0,1|2,0,0]=4 903 B12R1.32 CCNC(=O)Cc1cccnc1 527a_100015525214_100000737805 [0,1,0,0,0,1|2,0,0]=4 904 B12R1.32 CCNC(=O)Cc1ccncc1 11a_100015525214_100011201483 [0,1,0,0,0,1|2,0,0]=4 905 B12R1.32 CCNC(=O)Cc1ccncc1 240690a_100015525214_100011201483 [0,1,0,0,0,1|2,0,0]=4 906 B12R1.32 CCNC(=O)Nc1ccccc1 2430a_100000106764_100015525214 [0,1,0,0,0,1|1,0,0]=3 907 B12R1.32 CNCC(=O)Cc1ccccc1 2230a_106832991635_100000233483 [0,1,0,0,0,1|1,0,0]=3 908 B12R1.32 CNCC(=O)Cc1ccccc1 7a_106832991635_100000233483 [0,1,0,0,0,1|1,0,0]=3 909 B12R1.32 CNCC(=O)Nc1ccccc1 2230a_106832991635_100000182850 [0,1,0,0,0,1|1,0,0]=3 910 B12R1.32 CNCC(=O)Nc1ccccc1 34a_100102657272_100000182850 [0,1,0,0,0,1|1,0,0]=3 911 B12R1.32 CNCC(=O)Nc1ccccc1 7a_106832991635_100000182850 [0,1,0,0,0,1|1,0,0]=3 912 B12R1.32 CNCC(=O)Nc1ccccn1 2230a_106832991635_100020662008 [0,1,0,0,0,1|2,0,0]=4 913 B12R1.32 CNCC(=O)Nc1ccccn1 7a_106832991635_100020662008 [0,1,0,0,0,1|2,0,0]=4 914 B12R1.32 CNCC(=O)Nc1ccncc1 2230a_106832991635_100000754145 [0,1,0,0,0,1|2,0,0]=4 915 B12R1.32 CNCC(=O)Nc1ccncc1 7a_106832991635_100000754145 [0,1,0,0,0,1|2,0,0]=4 916 B12R1.32 CNCC(=O)Oc1ccccc1 2230a_106832991635_100009813826 [0,1,0,0,0,1|1,0,0]=3 917 B12R1.32 CNCC(=O)Oc1ccccc1 34a_100102657272_100009813826 [0,1,0,0,0,1|1,0,0]=3 918 B12R1.32 CNCC(=O)Oc1ccccc1 7a_106832991635_100009813826 [0,1,0,0,0,1|1,0,0]=3 919 B12R1.32 CNNC(=O)C[n+]1ccccc1 22a_100016993582_200000086051 [0,1,0,0,0,1|2,0,0]=4 920 B12R1.32 CNNC(=O)Cc1ccccn1 22a_100016993582_100000233486 [0,1,0,0,0,1|2,0,0]=4 921 B12R1.32 CNNC(=O)Cc1cccnc1 22a_100016993582_100000737805 [0,1,0,0,0,1|2,0,0]=4 922 B12R1.32 CNNC(=O)Cc1ccncc1 22a_100016993582_100011201483 [0,1,0,0,0,1|2,0,0]=4 923 B12R1.32 COC/C(=C/c1ccccc1)/C 34a_200025717232_200000210301 [0,1,0,0,0,1|2,0,0]=4 924 B12R1.32 COC/C(=C/c1ccccc1)/C 7a_200025717232_200000210301 [0,1,0,0,0,1|2,0,0]=4 925 B12R1.32 COCC(=O)Cc1ccccc1 1458a_100000210968_100015291786 [0,1,0,0,0,1|1,0,0]=3 926 B12R1.32 COCC(=O)Cc1ccccn1 1458a_100000210968_100000721315 [0,1,0,0,0,1|2,0,0]=4 927 B12R1.32 COCC(=O)Cc1cccnc1 1458a_100000210968_100000733263 [0,1,0,0,0,1|2,0,0]=4 928 B12R1.32 COCC(=O)Cc1ccncc1 1458a_100000210968_100000705612 [0,1,0,0,0,1|2,0,0]=4 929 B12R1.32 COCC(=O)Nc1ccccc1 11a_100000106764_100000210968 [0,1,0,0,0,1|1,0,0]=3 930 B12R1.32 COCC(=O)Nc1ccccc1 1626a_100000106764_100000210968 [0,1,0,0,0,1|1,0,0]=3 931 B12R1.32 COCC(=O)Nc1ccccc1 22a_100000106764_100000210968 [0,1,0,0,0,1|1,0,0]=3 932 B12R1.32 COCC(=O)Nc1ccccc1 34a_100000246334_200000210301 [0,1,0,0,0,1|1,0,0]=3 933 B12R1.32 COCC(=O)Nc1ccccc1 34a_100138415774_100000182850 [0,1,0,0,0,1|1,0,0]=3 934 B12R1.32 COCC(=O)Nc1ccccc1 527a_100000106764_100000210968 [0,1,0,0,0,1|1,0,0]=3 935 B12R1.32 COCC(=O)Oc1ccccc1 34a_100138415774_100009813826 [0,1,0,0,0,1|1,0,0]=3 936 B12R1.32 CSCC(=O)Cc1ccccc1 1458a_100000184570_100015291786 [0,1,0,0,0,1|1,1,0]=4 937 B12R1.32 CSCC(=O)Cc1ccccc1 62a_100000233483_200000210301 [0,1,0,0,0,1|1,1,0]=4 938 B12R1.32 CSCC(=O)Cc1ccccc1 62a_200000210301_100000233483 [0,1,0,0,0,1|1,1,0]=4 939 B12R1.32 CSCC(=O)Nc1ccccc1 11a_100000106764_100000184570 [0,1,0,0,0,1|1,1,0]=4 940 B12R1.32 CSCC(=O)Nc1ccccc1 1626a_100000106764_100000184570 [0,1,0,0,0,1|1,1,0]=4 941 B12R1.32 CSCC(=O)Nc1ccccc1 22a_100000106764_100000184570 [0,1,0,0,0,1|1,1,0]=4 942 B12R1.32 CSCC(=O)Nc1ccccc1 527a_100000106764_100000184570 [0,1,0,0,0,1|1,1,0]=4 943 B12R1.32 CSCC(=O)Nc1ccccc1 62a_100012148978_200000210301 [0,1,0,0,0,1|1,1,0]=4 944 B12R1.32 CSCC(=O)Nc1ccccc1 62a_200000210301_100000182850 [0,1,0,0,0,1|1,1,0]=4 945 B12R1.32 CSCC(=O)Oc1ccccc1 62a_100009813826_200000210301 [0,1,0,0,0,1|1,1,0]=4 946 B12R1.32 CSCC(=O)Oc1ccccc1 62a_200000210301_100009813826 [0,1,0,0,0,1|1,1,0]=4 947 B12R1.32 N#CCC(=O)Cc1ccccc1 1458a_100051588842_100015291786 [0,1,0,0,0,1|2,0,0]=4 948 B12R1.32 N#CCC(=O)Nc1ccccc1 1626a_100000106764_100051588842 [0,1,0,0,0,1|2,0,0]=4 949 B12R1.32 N#CCC(=O)Nc1ccccc1 22a_100000106764_100051588842 [0,1,0,0,0,1|2,0,0]=4 950 B12R1.32 O=C(C=CBr)Cc1ccccc1 1458a_100016273825_100015291786 [0,1,0,0,0,1|2,0,0]=4 951 B12R1.32 O=C(C=CBr)Nc1ccccc1 1626a_100000106764_100016273825 [0,1,0,0,0,1|2,0,0]=4 952 B12R1.32 O=C(C=CCl)Cc1ccccc1 1458a_200016279998_100015291786 [0,1,0,0,0,1|2,0,0]=4 953 B12R1.32 O=C(C=CCl)Nc1ccccc1 11a_100000106764_200016279998 [0,1,0,0,0,1|2,0,0]=4 954 B12R1.32 O=C(C=CCl)Nc1ccccc1 1626a_100000106764_200016279998 [0,1,0,0,0,1|2,0,0]=4 955 B12R1.32 O=C(C=CI)Cc1ccccc1 1458a_100016256311_100015291786 [0,1,0,0,0,1|2,0,0]=4 956 B12R1.32 O=C(C=CI)Nc1ccccc1 1626a_100000106764_100016256311 [0,1,0,0,0,1|2,0,0]=4 957 B12R1.32 O=C(CCO)C[n+]1ccccc1 1458a_200000086051_100000211926 [0,1,0,0,0,1|2,0,0]=4 958 B12R1.32 O=C(CCO)Cc1ccccc1 1458a_100011216618_100015291786 [0,1,0,0,0,1|1,0,0]=3 959 B12R1.32 O=C(CCO)Cc1ccccn1 1458a_100000233486_100000211926 [0,1,0,0,0,1|2,0,0]=4 960 B12R1.32 O=C(CCO)Cc1ccccn1 1458a_100011216618_100000721315 [0,1,0,0,0,1|2,0,0]=4 961 B12R1.32 O=C(CCO)Cc1cccnc1 1458a_100000737805_100000211926 [0,1,0,0,0,1|2,0,0]=4 962 B12R1.32 O=C(CCO)Cc1cccnc1 1458a_100011216618_100000733263 [0,1,0,0,0,1|2,0,0]=4 963 B12R1.32 O=C(CCO)Cc1ccncc1 1458a_100011216618_100000705612 [0,1,0,0,0,1|2,0,0]=4 964 B12R1.32 O=C(CCO)Nc1ccccc1 22a_100000106764_100011216618 [0,1,0,0,0,1|1,0,0]=3 965 B12R1.32 [13CH3]OCC(=O)Nc1ccccc1 34a_100000246334_200025704644 [0,1,0,0,0,1|1,0,0]=3 966 B12R1.32 [13CH3]SCC(=O)Cc1ccccc1 62a_100000233483_200025704644 [0,1,0,0,0,1|1,1,0]=4 967 B12R1.32 [13CH3]SCC(=O)Cc1ccccc1 62a_200025704644_100000233483 [0,1,0,0,0,1|1,1,0]=4 968 B12R1.32 [13CH3]SCC(=O)Nc1ccccc1 62a_100012148978_200025704644 [0,1,0,0,0,1|1,1,0]=4 969 B12R1.32 [13CH3]SCC(=O)Nc1ccccc1 62a_200025704644_100000182850 [0,1,0,0,0,1|1,1,0]=4 970 B12R1.32 [13CH3]SCC(=O)Oc1ccccc1 62a_100009813826_200025704644 [0,1,0,0,0,1|1,1,0]=4 971 B12R1.32 [13CH3]SCC(=O)Oc1ccccc1 62a_200025704644_100009813826 [0,1,0,0,0,1|1,1,0]=4 972 B12R1.34 C#CC(=O)C(C)c1ccccc1 1458a_100000211873_100000230085 [0,1,0,0,0,1|2,0,0]=4 973 B12R1.34 C=C(C(=O)CC)c1ccccc1 1458a_100000065200_100000210202 [0,1,0,0,0,1|2,0,0]=4 974 B12R1.34 C=C(C(=O)CF)c1ccccc1 1458a_100000065200_100015361967 [0,1,0,0,0,1|2,0,0]=4 975 B12R1.34 C=C(C(=O)NC)c1ccccc1 1626a_100102657272_100000065200 [0,1,0,0,0,1|1,0,0]=3 976 B12R1.34 C=CC(=O)C(C)c1ccccc1 1458a_100000185746_100000230085 [0,1,0,0,0,1|2,0,0]=4 977 B12R1.34 C=CC(=O)N(C)c1ccccc1 1626a_100000210012_100000185746 [0,1,0,0,0,1|2,0,0]=4 978 B12R1.34 C=CC(=O)N(C)c1ccccc1 22a_100000210012_100000185746 [0,1,0,0,0,1|2,0,0]=4 979 B12R1.34 CC(C(=O)CO)c1ccccc1 1458a_100000210174_100000230085 [0,1,0,0,0,1|1,0,0]=3 980 B12R1.34 CCC(=O)C(C)c1ccccc1 1458a_100000210414_100000230085 [0,1,0,0,0,1|2,0,0]=4 981 B12R1.34 CCC(=O)C(F)c1ccccc1 1458a_100000698975_100000210202 [0,1,0,0,0,1|2,0,0]=4 982 B12R1.34 CCC(=O)N(C)c1ccccc1 11a_100000210012_100000210414 [0,1,0,0,0,1|2,0,0]=4 983 B12R1.34 CCC(=O)N(C)c1ccccc1 1626a_100000210012_100000210414 [0,1,0,0,0,1|2,0,0]=4 984 B12R1.34 CCC(=O)N(C)c1ccccc1 22a_100000210012_100000210414 [0,1,0,0,0,1|2,0,0]=4 985 B12R1.34 CCC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_100000210202 [0,1,0,0,0,1|2,0,0]=4 986 B12R1.34 CCC(=O)[C@H](O)c1ccccc1 1458a_100000684486_100000210202 [0,1,0,0,0,1|2,0,0]=4 987 B12R1.34 CN(C(=O)CO)c1ccccc1 22a_100000210012_100000210174 [0,1,0,0,0,1|1,0,0]=3 988 B12R1.34 CNC(=O)C(C)c1ccccn1 11a_106832991635_100000722050 [0,1,0,0,0,1|2,0,0]=4 989 B12R1.34 CNC(=O)C(C)c1ccccn1 1626a_100102657272_100000722050 [0,1,0,0,0,1|2,0,0]=4 990 B12R1.34 CNC(=O)C(C)c1ccccn1 240690a_100102657272_100000722050 [0,1,0,0,0,1|2,0,0]=4 991 B12R1.34 CNC(=O)C(C)c1ccccn1 527a_100102657272_100000722050 [0,1,0,0,0,1|2,0,0]=4 992 B12R1.34 CNC(=O)C(F)c1ccccc1 11a_106832991635_100000698975 [0,1,0,0,0,1|1,0,0]=3 993 B12R1.34 CNC(=O)C(F)c1ccccc1 1626a_100102657272_100000698975 [0,1,0,0,0,1|1,0,0]=3 994 B12R1.34 CNC(=O)C(F)c1ccccc1 240690a_100102657272_100000698975 [0,1,0,0,0,1|1,0,0]=3 995 B12R1.34 CNC(=O)C(F)c1ccccc1 527a_100102657272_100000698975 [0,1,0,0,0,1|1,0,0]=3 996 B12R1.34 CNC(=O)N(C)c1ccccc1 512a_106832991638_100000210012 [0,1,0,0,0,1|1,0,0]=3 997 B12R1.34 CNC(=O)[C@@H](C)c1ccccc1 11a_106832991635_100000751047 [0,1,0,0,0,1|1,0,0]=3 998 B12R1.34 CNC(=O)[C@@H](C)c1ccccc1 1626a_100102657272_100000751047 [0,1,0,0,0,1|1,0,0]=3 999 B12R1.34 CNC(=O)[C@@H](C)c1ccccc1 240690a_100102657272_100000751047 [0,1,0,0,0,1|1,0,0]=3 1000 B12R1.34 CNC(=O)[C@@H](C)c1ccccc1 527a_100102657272_100000751047 [0,1,0,0,0,1|1,0,0]=3 1001 B12R1.34 CNC(=O)[C@H](O)c1ccccc1 240690a_100102657272_100000684486 [0,1,0,0,0,1|1,0,0]=3 1002 B12R1.34 C[C@H](C(=O)CF)c1ccccc1 1458a_100000751047_100015361967 [0,1,0,0,0,1|2,0,0]=4 1003 B12R1.34 O=C(CF)C(F)c1ccccc1 1458a_100000698975_100015361967 [0,1,0,0,0,1|2,0,0]=4 1004 B12R1.34 O=C(CF)[C@H](O)c1ccccc1 1458a_100000684486_100015361967 [0,1,0,0,0,1|2,0,0]=4 1005 B12R1.43 C=C(Br)C(=O)Nc1ccccc1 11a_100000106764_100009813364 [0,1,0,0,0,1|2,0,0]=4 1006 B12R1.43 C=C(Br)C(=O)Nc1ccccc1 1626a_100000106764_100009813364 [0,1,0,0,0,1|2,0,0]=4 1007 B12R1.43 C=C(C)C(=O)Cc1ccccc1 1458a_100000185857_100015291786 [0,1,0,0,0,1|2,0,0]=4 1008 B12R1.43 C=C(C)C(=O)Nc1ccccc1 11a_100000106764_100000185857 [0,1,0,0,0,1|2,0,0]=4 1009 B12R1.43 C=C(C)C(=O)Nc1ccccc1 1626a_100000106764_100000185857 [0,1,0,0,0,1|2,0,0]=4 1010 B12R1.43 C=C(C)C(=O)Nc1ccccc1 22a_100000106764_100000185857 [0,1,0,0,0,1|2,0,0]=4 1011 B12R1.43 C=C(Cl)C(=O)Nc1ccccc1 11a_100000106764_100000039160 [0,1,0,0,0,1|2,0,0]=4 1012 B12R1.43 C=C(Cl)C(=O)Nc1ccccc1 1626a_100000106764_100000039160 [0,1,0,0,0,1|2,0,0]=4 1013 B12R1.43 C=C(Cl)C(=O)Nc1ccccc1 22a_100000106764_100000039160 [0,1,0,0,0,1|2,0,0]=4 1014 B12R1.43 C=C(F)C(=O)Nc1ccccc1 11a_100000106764_100000036797 [0,1,0,0,0,1|2,0,0]=4 1015 B12R1.43 C=C(F)C(=O)Nc1ccccc1 1626a_100000106764_100000036797 [0,1,0,0,0,1|2,0,0]=4 1016 B12R1.43 C=C(F)C(=O)Nc1ccccc1 22a_100000106764_100000036797 [0,1,0,0,0,1|2,0,0]=4 1017 B12R1.43 CC(=O)C(=O)Nc1ccccc1 1458a_100000738435_200000210301 [0,1,0,0,0,1|1,0,1]=4 1018 B12R1.43 CC(C)C(=O)Cc1ccccc1 1458a_100000210198_100015291786 [0,1,0,0,0,1|2,0,0]=4 1019 B12R1.43 CC(C)C(=O)Nc1ccccc1 11a_100000106764_100000210198 [0,1,0,0,0,1|2,0,0]=4 1020 B12R1.43 CC(C)C(=O)Nc1ccccc1 1626a_100000106764_100000210198 [0,1,0,0,0,1|2,0,0]=4 1021 B12R1.43 CC(C)C(=O)Nc1ccccc1 22a_100000106764_100000210198 [0,1,0,0,0,1|2,0,0]=4 1022 B12R1.43 CC(C)C(=O)Nc1ccccc1 527a_100000106764_100000210198 [0,1,0,0,0,1|2,0,0]=4 1023 B12R1.43 CC(F)C(=O)Cc1ccccc1 1458a_100000062450_100015291786 [0,1,0,0,0,1|2,0,0]=4 1024 B12R1.43 CC(F)C(=O)Nc1ccccc1 11a_100000106764_100000062450 [0,1,0,0,0,1|2,0,0]=4 1025 B12R1.43 CC(F)C(=O)Nc1ccccc1 1626a_100000106764_100000062450 [0,1,0,0,0,1|2,0,0]=4 1026 B12R1.43 CC(F)C(=O)Nc1ccccc1 22a_100000106764_100000062450 [0,1,0,0,0,1|2,0,0]=4 1027 B12R1.43 CC(F)C(=O)Nc1ccccc1 527a_100000106764_100000062450 [0,1,0,0,0,1|2,0,0]=4 1028 B12R1.43 CN(C)C(=O)C[n+]1ccccc1 11a_100102631434_200000086051 [0,1,0,0,0,1|2,0,0]=4 1029 B12R1.43 CN(C)C(=O)C[n+]1ccccc1 240690a_100102631434_200000086051 [0,1,0,0,0,1|2,0,0]=4 1030 B12R1.43 CN(C)C(=O)C[n+]1ccccc1 527a_100102631434_200000086051 [0,1,0,0,0,1|2,0,0]=4 1031 B12R1.43 CN(C)C(=O)Cc1ccccn1 11a_100102631434_100000233486 [0,1,0,0,0,1|2,0,0]=4 1032 B12R1.43 CN(C)C(=O)Cc1cccnc1 11a_100102631434_100000737805 [0,1,0,0,0,1|2,0,0]=4 1033 B12R1.43 CN(C)C(=O)Cc1cccnc1 240690a_100102631434_100000737805 [0,1,0,0,0,1|2,0,0]=4 1034 B12R1.43 CN(C)C(=O)Cc1cccnc1 527a_100102631434_100000737805 [0,1,0,0,0,1|2,0,0]=4 1035 B12R1.43 CN(C)C(=O)Cc1ccncc1 11a_100102631434_100011201483 [0,1,0,0,0,1|2,0,0]=4 1036 B12R1.43 CN(C)C(=O)Cc1ccncc1 240690a_100102631434_100011201483 [0,1,0,0,0,1|2,0,0]=4 1037 B12R1.43 CN(C)C(=O)Nc1ccccc1 2430a_100000106764_100102631434 [0,1,0,0,0,1|1,0,0]=3 1038 B12R1.43 C[C@@H](O)C(=O)Cc1ccccc1 1458a_100000717761_100015291786 [0,1,0,0,0,1|1,0,0]=3 1039 B12R1.43 C[C@@H](O)C(=O)Cc1ccccn1 1458a_100000717761_100000721315 [0,1,0,0,0,1|2,0,0]=4 1040 B12R1.43 C[C@@H](O)C(=O)Cc1cccnc1 1458a_100000717761_100000733263 [0,1,0,0,0,1|2,0,0]=4 1041 B12R1.43 C[C@@H](O)C(=O)Cc1ccncc1 1458a_100000717761_100000705612 [0,1,0,0,0,1|2,0,0]=4 1042 B12R1.43 C[C@@H](O)C(=O)Nc1ccccc1 22a_100000106764_100000717761 [0,1,0,0,0,1|1,0,0]=3 1043 B12R1.43 C[C@H](O)C(=O)Cc1ccccc1 1458a_217856618621_100015291786 [0,1,0,0,0,1|1,0,0]=3 1044 B12R1.43 C[C@H](O)C(=O)Cc1ccccn1 1458a_217856618621_100000721315 [0,1,0,0,0,1|2,0,0]=4 1045 B12R1.43 C[C@H](O)C(=O)Cc1cccnc1 1458a_217856618621_100000733263 [0,1,0,0,0,1|2,0,0]=4 1046 B12R1.43 C[C@H](O)C(=O)Cc1ccncc1 1458a_217856618621_100000705612 [0,1,0,0,0,1|2,0,0]=4 1047 B12R1.43 C[C@H](O)C(=O)Nc1ccccc1 1626a_100000106764_217856618621 [0,1,0,0,0,1|1,0,0]=3 1048 B12R1.43 C[C@H](O)C(=O)Nc1ccccc1 22a_100000106764_217856618621 [0,1,0,0,0,1|1,0,0]=3 1049 B12R1.43 NC(=O)C(=O)Nc1ccccc1 22a_100000106764_100011215815 [0,1,0,0,0,1|1,0,1]=4 1050 B12R1.43 O=C(Cc1ccccc1)C(O)O 1458a_100000233687_100015291786 [0,1,0,0,0,1|1,0,0]=3 1051 B12R1.43 O=C(Cc1ccccn1)C(O)O 1458a_100000233687_100000721315 [0,1,0,0,0,1|2,0,0]=4 1052 B12R1.43 O=C(Cc1cccnc1)C(O)O 1458a_100000233687_100000733263 [0,1,0,0,0,1|2,0,0]=4 1053 B12R1.43 O=C(Cc1ccncc1)C(O)O 1458a_100000233687_100000705612 [0,1,0,0,0,1|2,0,0]=4 1054 B12R1.43 O=C(Nc1ccccc1)C(F)F 11a_100000106764_100000210393 [0,1,0,0,0,1|2,0,0]=4 1055 B12R1.43 O=C(Nc1ccccc1)C(F)F 1626a_100000106764_100000210393 [0,1,0,0,0,1|2,0,0]=4 1056 B12R1.43 O=C(Nc1ccccc1)C(F)F 22a_100000106764_100000210393 [0,1,0,0,0,1|2,0,0]=4 1057 B12R1.43 O=C(Nc1ccccc1)C(F)F 527a_100000106764_100000210393 [0,1,0,0,0,1|2,0,0]=4 1058 B12R1.43 O=C(Nc1ccccc1)C(O)O 22a_100000106764_100000233687 [0,1,0,0,0,1|1,0,0]=3 1059 B12R1.43 [13CH3]C(=O)C(=O)Nc1ccccc1 1458a_100000738435_200025704644 [0,1,0,0,0,1|1,0,1]=4 1060 B12R1.49 C#CC(=O)Cc1ccc(cc1)Br 1458a_100000211873_100000189115 [0,1,0,0,0,1|2,0,0]=4 1061 B12R1.49 C#CC(=O)Cc1ccc(cc1)C 1458a_100000211873_100000210814 [0,1,0,0,0,1|2,0,0]=4 1062 B12R1.49 C#CC(=O)Cc1ccc(cc1)Cl 1458a_100000211873_100000694040 [0,1,0,0,0,1|2,0,0]=4 1063 B12R1.49 C#CC(=O)Cc1ccc(cc1)F 1458a_100000211873_100000198546 [0,1,0,0,0,1|2,0,0]=4 1064 B12R1.49 C#CC(=O)Cc1ccc(cc1)I 1458a_100000211873_100000189116 [0,1,0,0,0,1|2,0,0]=4 1065 B12R1.49 C=CC(=O)Cc1ccc(cc1)Br 1458a_100000185746_100000189115 [0,1,0,0,0,1|2,0,0]=4 1066 B12R1.49 C=CC(=O)Cc1ccc(cc1)C 1458a_100000185746_100000210814 [0,1,0,0,0,1|2,0,0]=4 1067 B12R1.49 C=CC(=O)Cc1ccc(cc1)Cl 1458a_100000185746_100000694040 [0,1,0,0,0,1|2,0,0]=4 1068 B12R1.49 C=CC(=O)Cc1ccc(cc1)F 1458a_100000185746_100000198546 [0,1,0,0,0,1|2,0,0]=4 1069 B12R1.49 C=CC(=O)Cc1ccc(cc1)I 1458a_100000185746_100000189116 [0,1,0,0,0,1|2,0,0]=4 1070 B12R1.49 C=CC(=O)Nc1ccc(cc1)Br 1626a_100000210018_100000185746 [0,1,0,0,0,1|2,0,0]=4 1071 B12R1.49 C=CC(=O)Nc1ccc(cc1)Br 22a_100000210018_100000185746 [0,1,0,0,0,1|2,0,0]=4 1072 B12R1.49 C=CC(=O)Nc1ccc(cc1)C 1626a_100000124888_100000185746 [0,1,0,0,0,1|2,0,0]=4 1073 B12R1.49 C=CC(=O)Nc1ccc(cc1)C 22a_100000124888_100000185746 [0,1,0,0,0,1|2,0,0]=4 1074 B12R1.49 C=CC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100000185746 [0,1,0,0,0,1|2,0,0]=4 1075 B12R1.49 C=CC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000185746 [0,1,0,0,0,1|2,0,0]=4 1076 B12R1.49 C=CC(=O)Nc1ccc(cc1)F 1626a_100000185862_100000185746 [0,1,0,0,0,1|2,0,0]=4 1077 B12R1.49 C=CC(=O)Nc1ccc(cc1)F 22a_100000185862_100000185746 [0,1,0,0,0,1|2,0,0]=4 1078 B12R1.49 C=CC(=O)Nc1ccc(cc1)I 1626a_100000185761_100000185746 [0,1,0,0,0,1|2,0,0]=4 1079 B12R1.49 C=CC(=O)Nc1ccc(cc1)I 22a_100000185761_100000185746 [0,1,0,0,0,1|2,0,0]=4 1080 B12R1.49 C=CC(=O)Nc1ccc(cc1)O 22a_100000185829_100000185746 [0,1,0,0,0,1|2,0,0]=4 1081 B12R1.49 CCC(=O)Cc1ccc(cc1)Br 1458a_100000198978_100000210202 [0,1,0,0,0,1|2,0,0]=4 1082 B12R1.49 CCC(=O)Cc1ccc(cc1)Br 1458a_100000210414_100000189115 [0,1,0,0,0,1|2,0,0]=4 1083 B12R1.49 CCC(=O)Cc1ccc(cc1)C 1458a_100000210414_100000210814 [0,1,0,0,0,1|2,0,0]=4 1084 B12R1.49 CCC(=O)Cc1ccc(cc1)C 1458a_100000212244_100000210202 [0,1,0,0,0,1|2,0,0]=4 1085 B12R1.49 CCC(=O)Cc1ccc(cc1)Cl 1458a_100000210414_100000694040 [0,1,0,0,0,1|2,0,0]=4 1086 B12R1.49 CCC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_100000210202 [0,1,0,0,0,1|2,0,0]=4 1087 B12R1.49 CCC(=O)Cc1ccc(cc1)F 1458a_100000210414_100000198546 [0,1,0,0,0,1|2,0,0]=4 1088 B12R1.49 CCC(=O)Cc1ccc(cc1)F 1458a_100000210951_100000210202 [0,1,0,0,0,1|2,0,0]=4 1089 B12R1.49 CCC(=O)Cc1ccc(cc1)I 1458a_100000210414_100000189116 [0,1,0,0,0,1|2,0,0]=4 1090 B12R1.49 CCC(=O)Cc1ccc(cc1)I 1458a_100000688869_100000210202 [0,1,0,0,0,1|2,0,0]=4 1091 B12R1.49 CCC(=O)Cc1ccc(cc1)O 1458a_100000198540_100000210202 [0,1,0,0,0,1|2,0,0]=4 1092 B12R1.49 CCC(=O)Nc1ccc(cc1)Br 11a_100000210018_100000210414 [0,1,0,0,0,1|2,0,0]=4 1093 B12R1.49 CCC(=O)Nc1ccc(cc1)Br 1626a_100000210018_100000210414 [0,1,0,0,0,1|2,0,0]=4 1094 B12R1.49 CCC(=O)Nc1ccc(cc1)Br 22a_100000210018_100000210414 [0,1,0,0,0,1|2,0,0]=4 1095 B12R1.49 CCC(=O)Nc1ccc(cc1)Br 527a_100000210018_100000210414 [0,1,0,0,0,1|2,0,0]=4 1096 B12R1.49 CCC(=O)Nc1ccc(cc1)C 11a_100000124888_100000210414 [0,1,0,0,0,1|2,0,0]=4 1097 B12R1.49 CCC(=O)Nc1ccc(cc1)C 1626a_100000124888_100000210414 [0,1,0,0,0,1|2,0,0]=4 1098 B12R1.49 CCC(=O)Nc1ccc(cc1)C 22a_100000124888_100000210414 [0,1,0,0,0,1|2,0,0]=4 1099 B12R1.49 CCC(=O)Nc1ccc(cc1)C 527a_100000124888_100000210414 [0,1,0,0,0,1|2,0,0]=4 1100 B12R1.49 CCC(=O)Nc1ccc(cc1)Cl 11a_100000210052_100000210414 [0,1,0,0,0,1|2,0,0]=4 1101 B12R1.49 CCC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100000210414 [0,1,0,0,0,1|2,0,0]=4 1102 B12R1.49 CCC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000210414 [0,1,0,0,0,1|2,0,0]=4 1103 B12R1.49 CCC(=O)Nc1ccc(cc1)Cl 527a_100000210052_100000210414 [0,1,0,0,0,1|2,0,0]=4 1104 B12R1.49 CCC(=O)Nc1ccc(cc1)F 11a_100000185862_100000210414 [0,1,0,0,0,1|2,0,0]=4 1105 B12R1.49 CCC(=O)Nc1ccc(cc1)F 1626a_100000185862_100000210414 [0,1,0,0,0,1|2,0,0]=4 1106 B12R1.49 CCC(=O)Nc1ccc(cc1)F 22a_100000185862_100000210414 [0,1,0,0,0,1|2,0,0]=4 1107 B12R1.49 CCC(=O)Nc1ccc(cc1)F 527a_100000185862_100000210414 [0,1,0,0,0,1|2,0,0]=4 1108 B12R1.49 CCC(=O)Nc1ccc(cc1)I 11a_100000185761_100000210414 [0,1,0,0,0,1|2,0,0]=4 1109 B12R1.49 CCC(=O)Nc1ccc(cc1)I 1626a_100000185761_100000210414 [0,1,0,0,0,1|2,0,0]=4 1110 B12R1.49 CCC(=O)Nc1ccc(cc1)I 22a_100000185761_100000210414 [0,1,0,0,0,1|2,0,0]=4 1111 B12R1.49 CCC(=O)Nc1ccc(cc1)I 527a_100000185761_100000210414 [0,1,0,0,0,1|2,0,0]=4 1112 B12R1.49 CCC(=O)Nc1ccc(cc1)O 22a_100000185829_100000210414 [0,1,0,0,0,1|2,0,0]=4 1113 B12R1.49 CCC(=O)Oc1ccc(cc1)O 271570a_203496583355_200009811598 [0,1,0,0,0,1|2,0,0]=4 1114 B12R1.49 CNC(=O)Cc1ccc(cc1)Br 11a_106832991635_100000198978 [0,1,0,0,0,1|1,0,0]=3 1115 B12R1.49 CNC(=O)Cc1ccc(cc1)Br 240690a_100102657272_100000198978 [0,1,0,0,0,1|1,0,0]=3 1116 B12R1.49 CNC(=O)Cc1ccc(cc1)Br 527a_100102657272_100000198978 [0,1,0,0,0,1|1,0,0]=3 1117 B12R1.49 CNC(=O)Cc1ccc(cc1)C 11a_106832991635_100000212244 [0,1,0,0,0,1|1,0,0]=3 1118 B12R1.49 CNC(=O)Cc1ccc(cc1)C 240690a_100102657272_100000212244 [0,1,0,0,0,1|1,0,0]=3 1119 B12R1.49 CNC(=O)Cc1ccc(cc1)C 527a_100102657272_100000212244 [0,1,0,0,0,1|1,0,0]=3 1120 B12R1.49 CNC(=O)Cc1ccc(cc1)Cl 11a_106832991635_100000211027 [0,1,0,0,0,1|1,0,0]=3 1121 B12R1.49 CNC(=O)Cc1ccc(cc1)Cl 240690a_100102657272_100000211027 [0,1,0,0,0,1|1,0,0]=3 1122 B12R1.49 CNC(=O)Cc1ccc(cc1)Cl 527a_100102657272_100000211027 [0,1,0,0,0,1|1,0,0]=3 1123 B12R1.49 CNC(=O)Cc1ccc(cc1)F 11a_106832991635_100000210951 [0,1,0,0,0,1|1,0,0]=3 1124 B12R1.49 CNC(=O)Cc1ccc(cc1)F 1626a_100102657272_100000210951 [0,1,0,0,0,1|1,0,0]=3 1125 B12R1.49 CNC(=O)Cc1ccc(cc1)F 240690a_100102657272_100000210951 [0,1,0,0,0,1|1,0,0]=3 1126 B12R1.49 CNC(=O)Cc1ccc(cc1)F 527a_100102657272_100000210951 [0,1,0,0,0,1|1,0,0]=3 1127 B12R1.49 CNC(=O)Cc1ccc(cc1)I 11a_106832991635_100000688869 [0,1,0,0,0,1|1,0,0]=3 1128 B12R1.49 CNC(=O)Cc1ccc(cc1)I 1626a_100102657272_100000688869 [0,1,0,0,0,1|1,0,0]=3 1129 B12R1.49 CNC(=O)Cc1ccc(cc1)I 240690a_100102657272_100000688869 [0,1,0,0,0,1|1,0,0]=3 1130 B12R1.49 CNC(=O)Cc1ccc(cc1)I 527a_100102657272_100000688869 [0,1,0,0,0,1|1,0,0]=3 1131 B12R1.49 CNC(=O)Cc1ccc(cc1)O 1626a_100102657272_100000198540 [0,1,0,0,0,1|1,0,0]=3 1132 B12R1.49 CNC(=O)Cc1ccc(cc1)O 240690a_100102657272_100000198540 [0,1,0,0,0,1|1,0,0]=3 1133 B12R1.49 CNC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000155101 [0,1,0,0,0,1|1,0,0]=3 1134 B12R1.49 CNC(=O)Cc1ccc(cc1)O 527a_100102657272_100000198540 [0,1,0,0,0,1|1,0,0]=3 1135 B12R1.49 CNC(=O)Cc1ccc(cn1)Br 11a_106832991635_100020629044 [0,1,0,0,0,1|2,0,0]=4 1136 B12R1.49 CNC(=O)Cc1ccc(cn1)Br 240690a_100102657272_100020629044 [0,1,0,0,0,1|2,0,0]=4 1137 B12R1.49 CNC(=O)Cc1ccc(cn1)C 11a_106832991635_100025705728 [0,1,0,0,0,1|2,0,0]=4 1138 B12R1.49 CNC(=O)Cc1ccc(cn1)C 1626a_100102657272_100025705728 [0,1,0,0,0,1|2,0,0]=4 1139 B12R1.49 CNC(=O)Cc1ccc(cn1)C 240690a_100102657272_100025705728 [0,1,0,0,0,1|2,0,0]=4 1140 B12R1.49 CNC(=O)Cc1ccc(cn1)Cl 11a_106832991635_100000728320 [0,1,0,0,0,1|2,0,0]=4 1141 B12R1.49 CNC(=O)Cc1ccc(cn1)Cl 1626a_100102657272_100000728320 [0,1,0,0,0,1|2,0,0]=4 1142 B12R1.49 CNC(=O)Cc1ccc(cn1)Cl 240690a_100102657272_100000728320 [0,1,0,0,0,1|2,0,0]=4 1143 B12R1.49 CNC(=O)Cc1ccc(cn1)Cl 527a_100102657272_100000728320 [0,1,0,0,0,1|2,0,0]=4 1144 B12R1.49 CNC(=O)Cc1ccc(nc1)Br 11a_106832991635_100010067268 [0,1,0,0,0,1|2,0,0]=4 1145 B12R1.49 CNC(=O)Cc1ccc(nc1)Br 240690a_100102657272_100010067268 [0,1,0,0,0,1|2,0,0]=4 1146 B12R1.49 CNC(=O)Cc1ccc(nc1)Br 527a_100102657272_100010067268 [0,1,0,0,0,1|2,0,0]=4 1147 B12R1.49 CNC(=O)Cc1ccc(nc1)C 11a_106832991635_100000740413 [0,1,0,0,0,1|2,0,0]=4 1148 B12R1.49 CNC(=O)Cc1ccc(nc1)C 1626a_100102657272_100000740413 [0,1,0,0,0,1|2,0,0]=4 1149 B12R1.49 CNC(=O)Cc1ccc(nc1)C 240690a_100102657272_100000740413 [0,1,0,0,0,1|2,0,0]=4 1150 B12R1.49 CNC(=O)Cc1ccc(nc1)C 527a_100102657272_100000740413 [0,1,0,0,0,1|2,0,0]=4 1151 B12R1.49 CNC(=O)Cc1ccc(nc1)Cl 11a_106832991635_100000061944 [0,1,0,0,0,1|2,0,0]=4 1152 B12R1.49 CNC(=O)Cc1ccc(nc1)Cl 1626a_100102657272_100000061944 [0,1,0,0,0,1|2,0,0]=4 1153 B12R1.49 CNC(=O)Cc1ccc(nc1)Cl 240690a_100102657272_100000061944 [0,1,0,0,0,1|2,0,0]=4 1154 B12R1.49 CNC(=O)Cc1ccc(nc1)Cl 527a_100102657272_100000061944 [0,1,0,0,0,1|2,0,0]=4 1155 B12R1.49 CNC(=O)Cn1ccc(=O)cc1 11a_106832991635_200000238563 [0,1,0,0,0,1|2,0,0]=4 1156 B12R1.49 CNC(=O)Cn1ccc(=O)cc1 1626a_100102657272_200000238563 [0,1,0,0,0,1|2,0,0]=4 1157 B12R1.49 CNC(=O)Cn1ccc(=O)cc1 240690a_100102657272_200000238563 [0,1,0,0,0,1|2,0,0]=4 1158 B12R1.49 CNC(=O)Cn1ccc(=O)cc1 527a_100102657272_200000238563 [0,1,0,0,0,1|2,0,0]=4 1159 B12R1.49 CNC(=O)Nc1ccc(cc1)Br 2430a_100000210018_100102657272 [0,1,0,0,0,1|1,0,0]=3 1160 B12R1.49 CNC(=O)Nc1ccc(cc1)C 2430a_100000124888_100102657272 [0,1,0,0,0,1|1,0,0]=3 1161 B12R1.49 CNC(=O)Nc1ccc(cc1)Cl 2430a_100000210052_100102657272 [0,1,0,0,0,1|1,0,0]=3 1162 B12R1.49 CNC(=O)Nc1ccc(cc1)F 2430a_100000185862_100102657272 [0,1,0,0,0,1|1,0,0]=3 1163 B12R1.49 CNC(=O)Nc1ccc(cc1)I 2430a_100000185761_100102657272 [0,1,0,0,0,1|1,0,0]=3 1164 B12R1.49 CNC(=O)Nc1ccc(cc1)O 2430a_100000185829_100102657272 [0,1,0,0,0,1|1,0,0]=3 1165 B12R1.49 COC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000149743 [0,1,0,0,0,1|2,0,0]=4 1166 B12R1.49 COC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000181880 [0,1,0,0,0,1|2,0,0]=4 1167 B12R1.49 Cc1ccc(cc1)CC(=O)CF 1458a_100000212244_100015361967 [0,1,0,0,0,1|2,0,0]=4 1168 B12R1.49 Cc1ccc(cc1)CC(=O)CO 1458a_100000210174_100000210814 [0,1,0,0,0,1|1,0,0]=3 1169 B12R1.49 Cc1ccc(cc1)NC(=O)CO 22a_100000124888_100000210174 [0,1,0,0,0,1|1,0,0]=3 1170 B12R1.49 Cc1ccc(cc1)NC(=O)CO 527a_100000124888_100000210174 [0,1,0,0,0,1|1,0,0]=3 1171 B12R1.49 Cc1ccc(cn1)CC(=O)CO 1458a_100000210174_100016987292 [0,1,0,0,0,1|2,0,0]=4 1172 B12R1.49 Cc1ccc(nc1)CC(=O)CO 1458a_100000210174_100000691093 [0,1,0,0,0,1|2,0,0]=4 1173 B12R1.49 O=C(CF)Cc1ccc(cc1)Br 1458a_100000198978_100015361967 [0,1,0,0,0,1|2,0,0]=4 1174 B12R1.49 O=C(CF)Cc1ccc(cc1)Cl 1458a_100000211027_100015361967 [0,1,0,0,0,1|2,0,0]=4 1175 B12R1.49 O=C(CF)Cc1ccc(cc1)F 1458a_100000210951_100015361967 [0,1,0,0,0,1|2,0,0]=4 1176 B12R1.49 O=C(CF)Cc1ccc(cc1)I 1458a_100000688869_100015361967 [0,1,0,0,0,1|2,0,0]=4 1177 B12R1.49 O=C(CF)Cc1ccc(cc1)O 1458a_100000198540_100015361967 [0,1,0,0,0,1|2,0,0]=4 1178 B12R1.49 O=C(CO)Cc1ccc(cc1)Br 1458a_100000210174_100000189115 [0,1,0,0,0,1|1,0,0]=3 1179 B12R1.49 O=C(CO)Cc1ccc(cc1)Cl 1458a_100000210174_100000694040 [0,1,0,0,0,1|1,0,0]=3 1180 B12R1.49 O=C(CO)Cc1ccc(cc1)F 1458a_100000210174_100000198546 [0,1,0,0,0,1|1,0,0]=3 1181 B12R1.49 O=C(CO)Cc1ccc(cc1)I 1458a_100000210174_100000189116 [0,1,0,0,0,1|1,0,0]=3 1182 B12R1.49 O=C(CO)Cc1ccc(cn1)Br 1458a_100000210174_100000702658 [0,1,0,0,0,1|2,0,0]=4 1183 B12R1.49 O=C(CO)Cc1ccc(cn1)Cl 1458a_100000210174_100012066911 [0,1,0,0,0,1|2,0,0]=4 1184 B12R1.49 O=C(CO)Cc1ccc(cn1)F 1458a_100000210174_100000703193 [0,1,0,0,0,1|2,0,0]=4 1185 B12R1.49 O=C(CO)Cc1ccc(nc1)Br 1458a_100000210174_100009831999 [0,1,0,0,0,1|2,0,0]=4 1186 B12R1.49 O=C(CO)Cc1ccc(nc1)Cl 1458a_100000210174_100000735431 [0,1,0,0,0,1|2,0,0]=4 1187 B12R1.49 O=C(CO)Cc1ccc(nc1)F 1458a_100000210174_100009820150 [0,1,0,0,0,1|2,0,0]=4 1188 B12R1.49 O=C(CO)Nc1ccc(cc1)Br 22a_100000210018_100000210174 [0,1,0,0,0,1|1,0,0]=3 1189 B12R1.49 O=C(CO)Nc1ccc(cc1)Br 527a_100000210018_100000210174 [0,1,0,0,0,1|1,0,0]=3 1190 B12R1.49 O=C(CO)Nc1ccc(cc1)Cl 22a_100000210052_100000210174 [0,1,0,0,0,1|1,0,0]=3 1191 B12R1.49 O=C(CO)Nc1ccc(cc1)Cl 527a_100000210052_100000210174 [0,1,0,0,0,1|1,0,0]=3 1192 B12R1.49 O=C(CO)Nc1ccc(cc1)F 22a_100000185862_100000210174 [0,1,0,0,0,1|1,0,0]=3 1193 B12R1.49 O=C(CO)Nc1ccc(cc1)F 527a_100000185862_100000210174 [0,1,0,0,0,1|1,0,0]=3 1194 B12R1.49 O=C(CO)Nc1ccc(cc1)I 22a_100000185761_100000210174 [0,1,0,0,0,1|1,0,0]=3 1195 B12R1.49 O=C(CO)Nc1ccc(cc1)I 527a_100000185761_100000210174 [0,1,0,0,0,1|1,0,0]=3 1196 B12R1.49 O=C(CO)Nc1ccc(cc1)O 22a_100000185829_100000210174 [0,1,0,0,0,1|1,0,0]=3 1197 B12R1.50 C#CC(=O)Cc1cccc(c1)Br 1458a_100000211873_100000211773 [0,1,0,0,0,1|2,0,0]=4 1198 B12R1.50 C#CC(=O)Cc1cccc(c1)C 1458a_100000211873_100000211840 [0,1,0,0,0,1|2,0,0]=4 1199 B12R1.50 C#CC(=O)Cc1cccc(c1)Cl 1458a_100000211873_100000181238 [0,1,0,0,0,1|2,0,0]=4 1200 B12R1.50 C#CC(=O)Cc1cccc(c1)F 1458a_100000211873_100000230114 [0,1,0,0,0,1|2,0,0]=4 1201 B12R1.50 C#CC(=O)Cc1cccc(c1)I 1458a_100000211873_100011218688 [0,1,0,0,0,1|2,0,0]=4 1202 B12R1.50 C#CC(=O)Cc1cccc(c1)O 1458a_100000211873_100011660834 [0,1,0,0,0,1|2,0,0]=4 1203 B12R1.50 C=CC(=O)Cc1cccc(c1)Br 1458a_100000185746_100000211773 [0,1,0,0,0,1|2,0,0]=4 1204 B12R1.50 C=CC(=O)Cc1cccc(c1)C 1458a_100000185746_100000211840 [0,1,0,0,0,1|2,0,0]=4 1205 B12R1.50 C=CC(=O)Cc1cccc(c1)Cl 1458a_100000185746_100000181238 [0,1,0,0,0,1|2,0,0]=4 1206 B12R1.50 C=CC(=O)Cc1cccc(c1)F 1458a_100000185746_100000230114 [0,1,0,0,0,1|2,0,0]=4 1207 B12R1.50 C=CC(=O)Cc1cccc(c1)I 1458a_100000185746_100011218688 [0,1,0,0,0,1|2,0,0]=4 1208 B12R1.50 C=CC(=O)Cc1cccc(c1)O 1458a_100000185746_100011660834 [0,1,0,0,0,1|2,0,0]=4 1209 B12R1.50 C=CC(=O)Nc1cccc(c1)Br 1626a_100000210019_100000185746 [0,1,0,0,0,1|2,0,0]=4 1210 B12R1.50 C=CC(=O)Nc1cccc(c1)Br 22a_100000210019_100000185746 [0,1,0,0,0,1|2,0,0]=4 1211 B12R1.50 C=CC(=O)Nc1cccc(c1)C 1626a_100000188690_100000185746 [0,1,0,0,0,1|2,0,0]=4 1212 B12R1.50 C=CC(=O)Nc1cccc(c1)C 22a_100000188690_100000185746 [0,1,0,0,0,1|2,0,0]=4 1213 B12R1.50 C=CC(=O)Nc1cccc(c1)Cl 1626a_100000185859_100000185746 [0,1,0,0,0,1|2,0,0]=4 1214 B12R1.50 C=CC(=O)Nc1cccc(c1)Cl 22a_100000185859_100000185746 [0,1,0,0,0,1|2,0,0]=4 1215 B12R1.50 C=CC(=O)Nc1cccc(c1)F 1626a_100000210047_100000185746 [0,1,0,0,0,1|2,0,0]=4 1216 B12R1.50 C=CC(=O)Nc1cccc(c1)F 22a_100000210047_100000185746 [0,1,0,0,0,1|2,0,0]=4 1217 B12R1.50 C=CC(=O)Nc1cccc(c1)I 1626a_100000211102_100000185746 [0,1,0,0,0,1|2,0,0]=4 1218 B12R1.50 C=CC(=O)Nc1cccc(c1)I 22a_100000211102_100000185746 [0,1,0,0,0,1|2,0,0]=4 1219 B12R1.50 C=CC(=O)Nc1cccc(c1)O 1626a_100000210217_100000185746 [0,1,0,0,0,1|2,0,0]=4 1220 B12R1.50 C=CC(=O)Nc1cccc(c1)O 22a_100000210217_100000185746 [0,1,0,0,0,1|2,0,0]=4 1221 B12R1.50 CCC(=O)Cc1cccc(c1)Br 1458a_100000210414_100000211773 [0,1,0,0,0,1|2,0,0]=4 1222 B12R1.50 CCC(=O)Cc1cccc(c1)Br 1458a_100000747190_100000210202 [0,1,0,0,0,1|2,0,0]=4 1223 B12R1.50 CCC(=O)Cc1cccc(c1)C 1458a_100000210414_100000211840 [0,1,0,0,0,1|2,0,0]=4 1224 B12R1.50 CCC(=O)Cc1cccc(c1)C 1458a_100011206899_100000210202 [0,1,0,0,0,1|2,0,0]=4 1225 B12R1.50 CCC(=O)Cc1cccc(c1)Cl 1458a_100000210414_100000181238 [0,1,0,0,0,1|2,0,0]=4 1226 B12R1.50 CCC(=O)Cc1cccc(c1)Cl 1458a_100000749307_100000210202 [0,1,0,0,0,1|2,0,0]=4 1227 B12R1.50 CCC(=O)Cc1cccc(c1)F 1458a_100000210414_100000230114 [0,1,0,0,0,1|2,0,0]=4 1228 B12R1.50 CCC(=O)Cc1cccc(c1)F 1458a_100000211661_100000210202 [0,1,0,0,0,1|2,0,0]=4 1229 B12R1.50 CCC(=O)Cc1cccc(c1)I 1458a_100000210414_100011218688 [0,1,0,0,0,1|2,0,0]=4 1230 B12R1.50 CCC(=O)Cc1cccc(c1)I 1458a_100000238430_100000210202 [0,1,0,0,0,1|2,0,0]=4 1231 B12R1.50 CCC(=O)Cc1cccc(c1)O 1458a_100000210414_100011660834 [0,1,0,0,0,1|2,0,0]=4 1232 B12R1.50 CCC(=O)Cc1cccc(c1)O 1458a_100000745134_100000210202 [0,1,0,0,0,1|2,0,0]=4 1233 B12R1.50 CCC(=O)Nc1cccc(c1)Br 11a_100000210019_100000210414 [0,1,0,0,0,1|2,0,0]=4 1234 B12R1.50 CCC(=O)Nc1cccc(c1)Br 1626a_100000210019_100000210414 [0,1,0,0,0,1|2,0,0]=4 1235 B12R1.50 CCC(=O)Nc1cccc(c1)Br 22a_100000210019_100000210414 [0,1,0,0,0,1|2,0,0]=4 1236 B12R1.50 CCC(=O)Nc1cccc(c1)Br 527a_100000210019_100000210414 [0,1,0,0,0,1|2,0,0]=4 1237 B12R1.50 CCC(=O)Nc1cccc(c1)C 11a_100000188690_100000210414 [0,1,0,0,0,1|2,0,0]=4 1238 B12R1.50 CCC(=O)Nc1cccc(c1)C 1626a_100000188690_100000210414 [0,1,0,0,0,1|2,0,0]=4 1239 B12R1.50 CCC(=O)Nc1cccc(c1)C 22a_100000188690_100000210414 [0,1,0,0,0,1|2,0,0]=4 1240 B12R1.50 CCC(=O)Nc1cccc(c1)C 527a_100000188690_100000210414 [0,1,0,0,0,1|2,0,0]=4 1241 B12R1.50 CCC(=O)Nc1cccc(c1)Cl 11a_100000185859_100000210414 [0,1,0,0,0,1|2,0,0]=4 1242 B12R1.50 CCC(=O)Nc1cccc(c1)Cl 1626a_100000185859_100000210414 [0,1,0,0,0,1|2,0,0]=4 1243 B12R1.50 CCC(=O)Nc1cccc(c1)Cl 22a_100000185859_100000210414 [0,1,0,0,0,1|2,0,0]=4 1244 B12R1.50 CCC(=O)Nc1cccc(c1)F 11a_100000210047_100000210414 [0,1,0,0,0,1|2,0,0]=4 1245 B12R1.50 CCC(=O)Nc1cccc(c1)F 1626a_100000210047_100000210414 [0,1,0,0,0,1|2,0,0]=4 1246 B12R1.50 CCC(=O)Nc1cccc(c1)F 22a_100000210047_100000210414 [0,1,0,0,0,1|2,0,0]=4 1247 B12R1.50 CCC(=O)Nc1cccc(c1)F 527a_100000210047_100000210414 [0,1,0,0,0,1|2,0,0]=4 1248 B12R1.50 CCC(=O)Nc1cccc(c1)I 11a_100000211102_100000210414 [0,1,0,0,0,1|2,0,0]=4 1249 B12R1.50 CCC(=O)Nc1cccc(c1)I 1626a_100000211102_100000210414 [0,1,0,0,0,1|2,0,0]=4 1250 B12R1.50 CCC(=O)Nc1cccc(c1)I 22a_100000211102_100000210414 [0,1,0,0,0,1|2,0,0]=4 1251 B12R1.50 CCC(=O)Nc1cccc(c1)I 527a_100000211102_100000210414 [0,1,0,0,0,1|2,0,0]=4 1252 B12R1.50 CCC(=O)Nc1cccc(c1)O 1626a_100000210217_100000210414 [0,1,0,0,0,1|2,0,0]=4 1253 B12R1.50 CCC(=O)Nc1cccc(c1)O 22a_100000210217_100000210414 [0,1,0,0,0,1|2,0,0]=4 1254 B12R1.50 CCC(=O)Nc1cccc(c1)O 527a_100000210217_100000210414 [0,1,0,0,0,1|2,0,0]=4 1255 B12R1.50 CNC(=O)Cc1cccc(c1)Br 11a_106832991635_100000747190 [0,1,0,0,0,1|1,0,0]=3 1256 B12R1.50 CNC(=O)Cc1cccc(c1)Br 240690a_100102657272_100000747190 [0,1,0,0,0,1|1,0,0]=3 1257 B12R1.50 CNC(=O)Cc1cccc(c1)Br 527a_100102657272_100000747190 [0,1,0,0,0,1|1,0,0]=3 1258 B12R1.50 CNC(=O)Cc1cccc(c1)C 11a_106832991635_100011206899 [0,1,0,0,0,1|1,0,0]=3 1259 B12R1.50 CNC(=O)Cc1cccc(c1)C 1626a_100102657272_100011206899 [0,1,0,0,0,1|1,0,0]=3 1260 B12R1.50 CNC(=O)Cc1cccc(c1)C 240690a_100102657272_100011206899 [0,1,0,0,0,1|1,0,0]=3 1261 B12R1.50 CNC(=O)Cc1cccc(c1)C 527a_100102657272_100011206899 [0,1,0,0,0,1|1,0,0]=3 1262 B12R1.50 CNC(=O)Cc1cccc(c1)Cl 11a_106832991635_100000749307 [0,1,0,0,0,1|1,0,0]=3 1263 B12R1.50 CNC(=O)Cc1cccc(c1)Cl 1626a_100102657272_100000749307 [0,1,0,0,0,1|1,0,0]=3 1264 B12R1.50 CNC(=O)Cc1cccc(c1)Cl 240690a_100102657272_100000749307 [0,1,0,0,0,1|1,0,0]=3 1265 B12R1.50 CNC(=O)Cc1cccc(c1)Cl 527a_100102657272_100000749307 [0,1,0,0,0,1|1,0,0]=3 1266 B12R1.50 CNC(=O)Cc1cccc(c1)F 11a_106832991635_100000211661 [0,1,0,0,0,1|1,0,0]=3 1267 B12R1.50 CNC(=O)Cc1cccc(c1)F 1626a_100102657272_100000211661 [0,1,0,0,0,1|1,0,0]=3 1268 B12R1.50 CNC(=O)Cc1cccc(c1)F 240690a_100102657272_100000211661 [0,1,0,0,0,1|1,0,0]=3 1269 B12R1.50 CNC(=O)Cc1cccc(c1)F 527a_100102657272_100000211661 [0,1,0,0,0,1|1,0,0]=3 1270 B12R1.50 CNC(=O)Cc1cccc(c1)I 11a_106832991635_100000238430 [0,1,0,0,0,1|1,0,0]=3 1271 B12R1.50 CNC(=O)Cc1cccc(c1)I 1626a_100102657272_100000238430 [0,1,0,0,0,1|1,0,0]=3 1272 B12R1.50 CNC(=O)Cc1cccc(c1)I 240690a_100102657272_100000238430 [0,1,0,0,0,1|1,0,0]=3 1273 B12R1.50 CNC(=O)Cc1cccc(c1)I 527a_100102657272_100000238430 [0,1,0,0,0,1|1,0,0]=3 1274 B12R1.50 CNC(=O)Cc1cccc(c1)O 240690a_100102657272_100000745134 [0,1,0,0,0,1|1,0,0]=3 1275 B12R1.50 CNC(=O)Cc1cccc(c1)O 527a_100102657272_100000745134 [0,1,0,0,0,1|1,0,0]=3 1276 B12R1.50 CNC(=O)Cc1cccc(n1)Br 11a_106832991635_100010201708 [0,1,0,0,0,1|2,0,0]=4 1277 B12R1.50 CNC(=O)Cc1cccc(n1)Br 240690a_100102657272_100010201708 [0,1,0,0,0,1|2,0,0]=4 1278 B12R1.50 CNC(=O)Cc1cccc(n1)Br 527a_100102657272_100010201708 [0,1,0,0,0,1|2,0,0]=4 1279 B12R1.50 CNC(=O)Cc1cccc(n1)C 11a_106832991635_100012001110 [0,1,0,0,0,1|2,0,0]=4 1280 B12R1.50 CNC(=O)Cc1cccc(n1)C 1626a_100102657272_100012001110 [0,1,0,0,0,1|2,0,0]=4 1281 B12R1.50 CNC(=O)Cc1cccc(n1)C 240690a_100102657272_100012001110 [0,1,0,0,0,1|2,0,0]=4 1282 B12R1.50 CNC(=O)Cc1cccc(n1)C 527a_100102657272_100012001110 [0,1,0,0,0,1|2,0,0]=4 1283 B12R1.50 CNC(=O)Cc1cccc(n1)Cl 11a_106832991635_100000090259 [0,1,0,0,0,1|2,0,0]=4 1284 B12R1.50 CNC(=O)Cc1cccc(n1)Cl 1626a_100102657272_100000090259 [0,1,0,0,0,1|2,0,0]=4 1285 B12R1.50 CNC(=O)Cc1cccc(n1)Cl 240690a_100102657272_100000090259 [0,1,0,0,0,1|2,0,0]=4 1286 B12R1.50 CNC(=O)Cc1cccc(n1)F 11a_106832991635_100000096803 [0,1,0,0,0,1|2,0,0]=4 1287 B12R1.50 CNC(=O)Cc1cccc(n1)F 1626a_100102657272_100000096803 [0,1,0,0,0,1|2,0,0]=4 1288 B12R1.50 CNC(=O)Cc1cccc(n1)F 240690a_100102657272_100000096803 [0,1,0,0,0,1|2,0,0]=4 1289 B12R1.50 CNC(=O)Cc1ccnc(c1)Br 11a_106832991635_100010126891 [0,1,0,0,0,1|2,0,0]=4 1290 B12R1.50 CNC(=O)Cc1ccnc(c1)Br 240690a_100102657272_100010126891 [0,1,0,0,0,1|2,0,0]=4 1291 B12R1.50 CNC(=O)Cc1ccnc(c1)Br 527a_100102657272_100010126891 [0,1,0,0,0,1|2,0,0]=4 1292 B12R1.50 CNC(=O)Cc1ccnc(c1)Cl 11a_106832991635_100000085289 [0,1,0,0,0,1|2,0,0]=4 1293 B12R1.50 CNC(=O)Cc1ccnc(c1)Cl 1626a_100102657272_100000085289 [0,1,0,0,0,1|2,0,0]=4 1294 B12R1.50 CNC(=O)Cc1ccnc(c1)Cl 240690a_100102657272_100000085289 [0,1,0,0,0,1|2,0,0]=4 1295 B12R1.50 CNC(=O)Cc1ccnc(c1)Cl 527a_100102657272_100000085289 [0,1,0,0,0,1|2,0,0]=4 1296 B12R1.50 CNC(=O)Cc1cncc(c1)Br 11a_106832991635_100000239331 [0,1,0,0,0,1|2,0,0]=4 1297 B12R1.50 CNC(=O)Cc1cncc(c1)Br 240690a_100102657272_100000239331 [0,1,0,0,0,1|2,0,0]=4 1298 B12R1.50 CNC(=O)Cc1cncc(c1)Br 527a_100102657272_100000239331 [0,1,0,0,0,1|2,0,0]=4 1299 B12R1.50 CNC(=O)Cc1cncc(c1)F 11a_106832991635_100011667516 [0,1,0,0,0,1|2,0,0]=4 1300 B12R1.50 CNC(=O)Cc1cncc(c1)F 240690a_100102657272_100011667516 [0,1,0,0,0,1|2,0,0]=4 1301 B12R1.50 CNC(=O)Cc1cncc(c1)F 527a_100102657272_100011667516 [0,1,0,0,0,1|2,0,0]=4 1302 B12R1.50 CNC(=O)Nc1cccc(c1)Br 2430a_100000210019_100102657272 [0,1,0,0,0,1|1,0,0]=3 1303 B12R1.50 CNC(=O)Nc1cccc(c1)Br 512a_100000210019_100102657272 [0,1,0,0,0,1|1,0,0]=3 1304 B12R1.50 CNC(=O)Nc1cccc(c1)C 2430a_100000188690_100102657272 [0,1,0,0,0,1|1,0,0]=3 1305 B12R1.50 CNC(=O)Nc1cccc(c1)C 512a_100000188690_100102657272 [0,1,0,0,0,1|1,0,0]=3 1306 B12R1.50 CNC(=O)Nc1cccc(c1)Cl 2430a_100000185859_100102657272 [0,1,0,0,0,1|1,0,0]=3 1307 B12R1.50 CNC(=O)Nc1cccc(c1)F 2430a_100000210047_100102657272 [0,1,0,0,0,1|1,0,0]=3 1308 B12R1.50 CNC(=O)Nc1cccc(c1)F 512a_100000210047_100102657272 [0,1,0,0,0,1|1,0,0]=3 1309 B12R1.50 CNC(=O)Nc1cccc(c1)I 2430a_100000211102_100102657272 [0,1,0,0,0,1|1,0,0]=3 1310 B12R1.50 CNC(=O)Nc1cccc(c1)I 512a_100000211102_100102657272 [0,1,0,0,0,1|1,0,0]=3 1311 B12R1.50 CNC(=O)Nc1cccc(c1)O 2430a_100000210217_100102657272 [0,1,0,0,0,1|1,0,0]=3 1312 B12R1.50 CNC(=O)Nc1cccc(c1)O 512a_100000210217_100102657272 [0,1,0,0,0,1|1,0,0]=3 1313 B12R1.50 COC(=O)Cc1cccc(c1)O 271570a_203496583355_100000699549 [0,1,0,0,0,1|2,0,0]=4 1314 B12R1.50 Cc1cc(ccn1)CC(=O)CO 1458a_100000210174_200020672517 [0,1,0,0,0,1|2,0,0]=4 1315 B12R1.50 Cc1cccc(c1)CC(=O)CF 1458a_100011206899_100015361967 [0,1,0,0,0,1|2,0,0]=4 1316 B12R1.50 Cc1cccc(c1)CC(=O)CO 1458a_100000210174_100000211840 [0,1,0,0,0,1|1,0,0]=3 1317 B12R1.50 Cc1cccc(c1)NC(=O)CO 22a_100000188690_100000210174 [0,1,0,0,0,1|1,0,0]=3 1318 B12R1.50 Cc1cccc(c1)NC(=O)CO 527a_100000188690_100000210174 [0,1,0,0,0,1|1,0,0]=3 1319 B12R1.50 Cc1cccc(n1)CC(=O)CO 1458a_100000210174_100000757606 [0,1,0,0,0,1|2,0,0]=4 1320 B12R1.50 Cc1ccnc(c1)CC(=O)CO 1458a_100000210174_100000718516 [0,1,0,0,0,1|2,0,0]=4 1321 B12R1.50 Cc1cncc(c1)CC(=O)CO 1458a_100000210174_100000716715 [0,1,0,0,0,1|2,0,0]=4 1322 B12R1.50 O=C(CF)Cc1cccc(c1)Br 1458a_100000747190_100015361967 [0,1,0,0,0,1|2,0,0]=4 1323 B12R1.50 O=C(CF)Cc1cccc(c1)Cl 1458a_100000749307_100015361967 [0,1,0,0,0,1|2,0,0]=4 1324 B12R1.50 O=C(CF)Cc1cccc(c1)F 1458a_100000211661_100015361967 [0,1,0,0,0,1|2,0,0]=4 1325 B12R1.50 O=C(CF)Cc1cccc(c1)I 1458a_100000238430_100015361967 [0,1,0,0,0,1|2,0,0]=4 1326 B12R1.50 O=C(CF)Cc1cccc(c1)O 1458a_100000745134_100015361967 [0,1,0,0,0,1|2,0,0]=4 1327 B12R1.50 O=C(CO)Cc1cc(ccn1)Br 1458a_100000210174_100010173614 [0,1,0,0,0,1|2,0,0]=4 1328 B12R1.50 O=C(CO)Cc1cc(ccn1)Cl 1458a_100000210174_100016988179 [0,1,0,0,0,1|2,0,0]=4 1329 B12R1.50 O=C(CO)Cc1cccc(c1)Br 1458a_100000210174_100000211773 [0,1,0,0,0,1|1,0,0]=3 1330 B12R1.50 O=C(CO)Cc1cccc(c1)Cl 1458a_100000210174_100000181238 [0,1,0,0,0,1|1,0,0]=3 1331 B12R1.50 O=C(CO)Cc1cccc(c1)F 1458a_100000210174_100000230114 [0,1,0,0,0,1|1,0,0]=3 1332 B12R1.50 O=C(CO)Cc1cccc(c1)I 1458a_100000210174_100011218688 [0,1,0,0,0,1|1,0,0]=3 1333 B12R1.50 O=C(CO)Cc1cccc(c1)O 1458a_100000210174_100011660834 [0,1,0,0,0,1|1,0,0]=3 1334 B12R1.50 O=C(CO)Cc1cccc(n1)Br 1458a_100000210174_100009889011 [0,1,0,0,0,1|2,0,0]=4 1335 B12R1.50 O=C(CO)Cc1cccc(n1)Cl 1458a_100000210174_100000086093 [0,1,0,0,0,1|2,0,0]=4 1336 B12R1.50 O=C(CO)Cc1cccc(n1)F 1458a_100000210174_100009819644 [0,1,0,0,0,1|2,0,0]=4 1337 B12R1.50 O=C(CO)Cc1ccnc(c1)Br 1458a_100000210174_100010243470 [0,1,0,0,0,1|2,0,0]=4 1338 B12R1.50 O=C(CO)Cc1ccnc(c1)Cl 1458a_100000210174_100000764220 [0,1,0,0,0,1|2,0,0]=4 1339 B12R1.50 O=C(CO)Cc1cncc(c1)Br 1458a_100000210174_100011740620 [0,1,0,0,0,1|2,0,0]=4 1340 B12R1.50 O=C(CO)Cc1cncc(c1)Cl 1458a_100000210174_100016992070 [0,1,0,0,0,1|2,0,0]=4 1341 B12R1.50 O=C(CO)Cc1cncc(c1)F 1458a_100000210174_100000725299 [0,1,0,0,0,1|2,0,0]=4 1342 B12R1.50 O=C(CO)Nc1cccc(c1)Br 22a_100000210019_100000210174 [0,1,0,0,0,1|1,0,0]=3 1343 B12R1.50 O=C(CO)Nc1cccc(c1)Br 527a_100000210019_100000210174 [0,1,0,0,0,1|1,0,0]=3 1344 B12R1.50 O=C(CO)Nc1cccc(c1)Cl 22a_100000185859_100000210174 [0,1,0,0,0,1|1,0,0]=3 1345 B12R1.50 O=C(CO)Nc1cccc(c1)F 22a_100000210047_100000210174 [0,1,0,0,0,1|1,0,0]=3 1346 B12R1.50 O=C(CO)Nc1cccc(c1)F 527a_100000210047_100000210174 [0,1,0,0,0,1|1,0,0]=3 1347 B12R1.50 O=C(CO)Nc1cccc(c1)I 22a_100000211102_100000210174 [0,1,0,0,0,1|1,0,0]=3 1348 B12R1.50 O=C(CO)Nc1cccc(c1)I 527a_100000211102_100000210174 [0,1,0,0,0,1|1,0,0]=3 1349 B12R1.50 O=C(CO)Nc1cccc(c1)O 22a_100000210217_100000210174 [0,1,0,0,0,1|1,0,0]=3 1350 B12R1.50 O=C(CO)Nc1cccc(c1)O 527a_100000210217_100000210174 [0,1,0,0,0,1|1,0,0]=3 1351 B12R1.194 CNS(=O)(=O)Cc1ccccc1 270084a_100102657272_100000211737 [0,1,0,0,0,1|2,0,0]=4 1352 B12R1.194 CNS(=O)(=O)Cc1ccccc1 274078a_100102657272_100000211737 [0,1,0,0,0,1|2,0,0]=4 1353 B12R1.194 CNS(=O)(=O)Cc1ccccc1 40a_100102657272_100000235865 [0,1,0,0,0,1|2,0,0]=4 1354 B12R1.371 C#CC(=O)Cc1ccccc1Br 1458a_100000211873_100000184730 [0,1,0,0,0,1|2,0,0]=4 1355 B12R1.371 C#CC(=O)Cc1ccccc1C 1458a_100000211873_100000211839 [0,1,0,0,0,1|2,0,0]=4 1356 B12R1.371 C#CC(=O)Cc1ccccc1Cl 1458a_100000211873_100000187162 [0,1,0,0,0,1|2,0,0]=4 1357 B12R1.371 C#CC(=O)Cc1ccccc1F 1458a_100000211873_100000187165 [0,1,0,0,0,1|2,0,0]=4 1358 B12R1.371 C#CC(=O)Cc1ccccc1I 1458a_100000211873_100011216222 [0,1,0,0,0,1|2,0,0]=4 1359 B12R1.371 C=CC(=O)Cc1ccccc1Br 1458a_100000185746_100000184730 [0,1,0,0,0,1|2,0,0]=4 1360 B12R1.371 C=CC(=O)Cc1ccccc1C 1458a_100000185746_100000211839 [0,1,0,0,0,1|2,0,0]=4 1361 B12R1.371 C=CC(=O)Cc1ccccc1Cl 1458a_100000185746_100000187162 [0,1,0,0,0,1|2,0,0]=4 1362 B12R1.371 C=CC(=O)Cc1ccccc1F 1458a_100000185746_100000187165 [0,1,0,0,0,1|2,0,0]=4 1363 B12R1.371 C=CC(=O)Cc1ccccc1I 1458a_100000185746_100011216222 [0,1,0,0,0,1|2,0,0]=4 1364 B12R1.371 C=CC(=O)Nc1ccccc1Br 1626a_100000210017_100000185746 [0,1,0,0,0,1|2,0,0]=4 1365 B12R1.371 C=CC(=O)Nc1ccccc1C 1626a_100015192222_100000185746 [0,1,0,0,0,1|2,0,0]=4 1366 B12R1.371 C=CC(=O)Nc1ccccc1C 22a_100015192222_100000185746 [0,1,0,0,0,1|2,0,0]=4 1367 B12R1.371 C=CC(=O)Nc1ccccc1Cl 1626a_100000185783_100000185746 [0,1,0,0,0,1|2,0,0]=4 1368 B12R1.371 C=CC(=O)Nc1ccccc1Cl 22a_100000185783_100000185746 [0,1,0,0,0,1|2,0,0]=4 1369 B12R1.371 C=CC(=O)Nc1ccccc1F 1626a_100000210422_100000185746 [0,1,0,0,0,1|2,0,0]=4 1370 B12R1.371 C=CC(=O)Nc1ccccc1F 22a_100000210422_100000185746 [0,1,0,0,0,1|2,0,0]=4 1371 B12R1.371 C=CC(=O)Nc1ccccc1I 1626a_100000210053_100000185746 [0,1,0,0,0,1|2,0,0]=4 1372 B12R1.371 C=CC(=O)Nc1ccccc1O 22a_100000185747_100000185746 [0,1,0,0,0,1|2,0,0]=4 1373 B12R1.371 CCC(=O)Cc1ccccc1Br 1458a_100000210414_100000184730 [0,1,0,0,0,1|2,0,0]=4 1374 B12R1.371 CCC(=O)Cc1ccccc1Br 1458a_100000751119_100000210202 [0,1,0,0,0,1|2,0,0]=4 1375 B12R1.371 CCC(=O)Cc1ccccc1C 1458a_100000210414_100000211839 [0,1,0,0,0,1|2,0,0]=4 1376 B12R1.371 CCC(=O)Cc1ccccc1C 1458a_100000212180_100000210202 [0,1,0,0,0,1|2,0,0]=4 1377 B12R1.371 CCC(=O)Cc1ccccc1Cl 1458a_100000183793_100000210202 [0,1,0,0,0,1|2,0,0]=4 1378 B12R1.371 CCC(=O)Cc1ccccc1Cl 1458a_100000210414_100000187162 [0,1,0,0,0,1|2,0,0]=4 1379 B12R1.371 CCC(=O)Cc1ccccc1F 1458a_100000210414_100000187165 [0,1,0,0,0,1|2,0,0]=4 1380 B12R1.371 CCC(=O)Cc1ccccc1F 1458a_100000212012_100000210202 [0,1,0,0,0,1|2,0,0]=4 1381 B12R1.371 CCC(=O)Cc1ccccc1I 1458a_100000036491_100000210202 [0,1,0,0,0,1|2,0,0]=4 1382 B12R1.371 CCC(=O)Cc1ccccc1I 1458a_100000210414_100011216222 [0,1,0,0,0,1|2,0,0]=4 1383 B12R1.371 CCC(=O)Cc1ccccc1O 1458a_100000743006_100000210202 [0,1,0,0,0,1|2,0,0]=4 1384 B12R1.371 CCC(=O)Nc1ccccc1Br 11a_100000210017_100000210414 [0,1,0,0,0,1|2,0,0]=4 1385 B12R1.371 CCC(=O)Nc1ccccc1Br 1626a_100000210017_100000210414 [0,1,0,0,0,1|2,0,0]=4 1386 B12R1.371 CCC(=O)Nc1ccccc1C 11a_100015192222_100000210414 [0,1,0,0,0,1|2,0,0]=4 1387 B12R1.371 CCC(=O)Nc1ccccc1C 1626a_100015192222_100000210414 [0,1,0,0,0,1|2,0,0]=4 1388 B12R1.371 CCC(=O)Nc1ccccc1C 22a_100015192222_100000210414 [0,1,0,0,0,1|2,0,0]=4 1389 B12R1.371 CCC(=O)Nc1ccccc1C 527a_100015192222_100000210414 [0,1,0,0,0,1|2,0,0]=4 1390 B12R1.371 CCC(=O)Nc1ccccc1Cl 11a_100000185783_100000210414 [0,1,0,0,0,1|2,0,0]=4 1391 B12R1.371 CCC(=O)Nc1ccccc1Cl 1626a_100000185783_100000210414 [0,1,0,0,0,1|2,0,0]=4 1392 B12R1.371 CCC(=O)Nc1ccccc1Cl 22a_100000185783_100000210414 [0,1,0,0,0,1|2,0,0]=4 1393 B12R1.371 CCC(=O)Nc1ccccc1Cl 527a_100000185783_100000210414 [0,1,0,0,0,1|2,0,0]=4 1394 B12R1.371 CCC(=O)Nc1ccccc1F 11a_100000210422_100000210414 [0,1,0,0,0,1|2,0,0]=4 1395 B12R1.371 CCC(=O)Nc1ccccc1F 1626a_100000210422_100000210414 [0,1,0,0,0,1|2,0,0]=4 1396 B12R1.371 CCC(=O)Nc1ccccc1F 22a_100000210422_100000210414 [0,1,0,0,0,1|2,0,0]=4 1397 B12R1.371 CCC(=O)Nc1ccccc1F 527a_100000210422_100000210414 [0,1,0,0,0,1|2,0,0]=4 1398 B12R1.371 CCC(=O)Nc1ccccc1I 11a_100000210053_100000210414 [0,1,0,0,0,1|2,0,0]=4 1399 B12R1.371 CCC(=O)Nc1ccccc1I 1626a_100000210053_100000210414 [0,1,0,0,0,1|2,0,0]=4 1400 B12R1.371 CCC(=O)Nc1ccccc1O 22a_100000185747_100000210414 [0,1,0,0,0,1|2,0,0]=4 1401 B12R1.371 CCC(=O)Nc1ccccc1O 271570a_203496583355_100000153536 [0,1,0,0,0,1|2,0,0]=4 1402 B12R1.371 CCC(=O)Nc1ccccc1O 527a_100000185747_100000210414 [0,1,0,0,0,1|2,0,0]=4 1403 B12R1.371 CNC(=O)Cc1ccccc1Br 11a_106832991635_100000751119 [0,1,0,0,0,1|1,0,0]=3 1404 B12R1.371 CNC(=O)Cc1ccccc1Br 240690a_100102657272_100000751119 [0,1,0,0,0,1|1,0,0]=3 1405 B12R1.371 CNC(=O)Cc1ccccc1Br 527a_100102657272_100000751119 [0,1,0,0,0,1|1,0,0]=3 1406 B12R1.371 CNC(=O)Cc1ccccc1C 11a_106832991635_100000212180 [0,1,0,0,0,1|1,0,0]=3 1407 B12R1.371 CNC(=O)Cc1ccccc1C 1626a_100102657272_100000212180 [0,1,0,0,0,1|1,0,0]=3 1408 B12R1.371 CNC(=O)Cc1ccccc1C 240690a_100102657272_100000212180 [0,1,0,0,0,1|1,0,0]=3 1409 B12R1.371 CNC(=O)Cc1ccccc1C 527a_100102657272_100000212180 [0,1,0,0,0,1|1,0,0]=3 1410 B12R1.371 CNC(=O)Cc1ccccc1Cl 11a_106832991635_100000183793 [0,1,0,0,0,1|1,0,0]=3 1411 B12R1.371 CNC(=O)Cc1ccccc1Cl 1626a_100102657272_100000183793 [0,1,0,0,0,1|1,0,0]=3 1412 B12R1.371 CNC(=O)Cc1ccccc1Cl 240690a_100102657272_100000183793 [0,1,0,0,0,1|1,0,0]=3 1413 B12R1.371 CNC(=O)Cc1ccccc1Cl 527a_100102657272_100000183793 [0,1,0,0,0,1|1,0,0]=3 1414 B12R1.371 CNC(=O)Cc1ccccc1F 11a_106832991635_100000212012 [0,1,0,0,0,1|1,0,0]=3 1415 B12R1.371 CNC(=O)Cc1ccccc1F 1626a_100102657272_100000212012 [0,1,0,0,0,1|1,0,0]=3 1416 B12R1.371 CNC(=O)Cc1ccccc1F 240690a_100102657272_100000212012 [0,1,0,0,0,1|1,0,0]=3 1417 B12R1.371 CNC(=O)Cc1ccccc1F 527a_100102657272_100000212012 [0,1,0,0,0,1|1,0,0]=3 1418 B12R1.371 CNC(=O)Cc1ccccc1I 11a_106832991635_100000036491 [0,1,0,0,0,1|1,0,0]=3 1419 B12R1.371 CNC(=O)Cc1ccccc1I 1626a_100102657272_100000036491 [0,1,0,0,0,1|1,0,0]=3 1420 B12R1.371 CNC(=O)Cc1ccccc1I 240690a_100102657272_100000036491 [0,1,0,0,0,1|1,0,0]=3 1421 B12R1.371 CNC(=O)Cc1ccccc1I 527a_100102657272_100000036491 [0,1,0,0,0,1|1,0,0]=3 1422 B12R1.371 CNC(=O)Cc1ccccc1O 240690a_100102657272_100000743006 [0,1,0,0,0,1|1,0,0]=3 1423 B12R1.371 CNC(=O)Cc1ccccc1O 271570a_203496583355_200009816160 [0,1,0,0,0,1|1,0,0]=3 1424 B12R1.371 CNC(=O)Cc1ccccc1O 527a_100102657272_100000743006 [0,1,0,0,0,1|1,0,0]=3 1425 B12R1.371 CNC(=O)Cc1cccnc1Cl 11a_106832991635_100000093521 [0,1,0,0,0,1|2,0,0]=4 1426 B12R1.371 CNC(=O)Cc1cccnc1Cl 1626a_100102657272_100000093521 [0,1,0,0,0,1|2,0,0]=4 1427 B12R1.371 CNC(=O)Cc1cccnc1Cl 240690a_100102657272_100000093521 [0,1,0,0,0,1|2,0,0]=4 1428 B12R1.371 CNC(=O)Cc1cccnc1Cl 527a_100102657272_100000093521 [0,1,0,0,0,1|2,0,0]=4 1429 B12R1.371 CNC(=O)Cc1ncccc1Br 11a_106832991635_200012357574 [0,1,0,0,0,1|2,0,0]=4 1430 B12R1.371 CNC(=O)Cc1ncccc1Br 240690a_100102657272_200012357574 [0,1,0,0,0,1|2,0,0]=4 1431 B12R1.371 CNC(=O)Cc1ncccc1C 11a_106832991635_200000722269 [0,1,0,0,0,1|2,0,0]=4 1432 B12R1.371 CNC(=O)Cc1ncccc1C 1626a_100102657272_200000722269 [0,1,0,0,0,1|2,0,0]=4 1433 B12R1.371 CNC(=O)Cc1ncccc1C 240690a_100102657272_200000722269 [0,1,0,0,0,1|2,0,0]=4 1434 B12R1.371 CNC(=O)Cc1ncccc1Cl 11a_106832991635_100011998755 [0,1,0,0,0,1|2,0,0]=4 1435 B12R1.371 CNC(=O)Cc1ncccc1Cl 240690a_100102657272_100011998755 [0,1,0,0,0,1|2,0,0]=4 1436 B12R1.371 CNC(=O)Cc1ncccc1Cl 527a_100102657272_100011998755 [0,1,0,0,0,1|2,0,0]=4 1437 B12R1.371 CNC(=O)Cn1ccccc1=O 1626a_100102657272_100000189665 [0,1,0,0,0,1|2,0,0]=4 1438 B12R1.371 CNC(=O)Cn1ccccc1=O 240690a_100102657272_100000189665 [0,1,0,0,0,1|2,0,0]=4 1439 B12R1.371 CNC(=O)Cn1ccccc1=O 527a_100102657272_100000189665 [0,1,0,0,0,1|2,0,0]=4 1440 B12R1.371 CNC(=O)Nc1ccccc1Br 2430a_100000210017_100102657272 [0,1,0,0,0,1|1,0,0]=3 1441 B12R1.371 CNC(=O)Nc1ccccc1C 2430a_100015192222_100102657272 [0,1,0,0,0,1|1,0,0]=3 1442 B12R1.371 CNC(=O)Nc1ccccc1Cl 2430a_100000185783_100102657272 [0,1,0,0,0,1|1,0,0]=3 1443 B12R1.371 CNC(=O)Nc1ccccc1F 2430a_100000210422_100102657272 [0,1,0,0,0,1|1,0,0]=3 1444 B12R1.371 CNC(=O)Nc1ccccc1I 2430a_100000210053_100102657272 [0,1,0,0,0,1|1,0,0]=3 1445 B12R1.371 CNC(=O)Nc1ccccc1O 2430a_100000185747_100102657272 [0,1,0,0,0,1|1,0,0]=3 1446 B12R1.371 COC(=O)Cc1ccccc1O 271570a_203496583355_100000699816 [0,1,0,0,0,1|2,0,0]=4 1447 B12R1.371 COC(=O)Nc1ccccc1O 271570a_203496583355_100000216184 [0,1,0,0,0,1|2,0,0]=4 1448 B12R1.371 Cc1ccccc1CC(=O)CF 1458a_100000212180_100015361967 [0,1,0,0,0,1|2,0,0]=4 1449 B12R1.371 Cc1ccccc1CC(=O)CO 1458a_100000210174_100000211839 [0,1,0,0,0,1|1,0,0]=3 1450 B12R1.371 Cc1ccccc1NC(=O)CO 22a_100015192222_100000210174 [0,1,0,0,0,1|1,0,0]=3 1451 B12R1.371 Cc1ccccc1NC(=O)CO 527a_100015192222_100000210174 [0,1,0,0,0,1|1,0,0]=3 1452 B12R1.371 Cc1cccnc1CC(=O)CO 1458a_100000210174_100000696600 [0,1,0,0,0,1|2,0,0]=4 1453 B12R1.371 Cc1ccncc1CC(=O)CO 1458a_100000210174_100000690890 [0,1,0,0,0,1|2,0,0]=4 1454 B12R1.371 Cc1cnccc1CC(=O)CO 1458a_100000210174_100020672808 [0,1,0,0,0,1|2,0,0]=4 1455 B12R1.371 Cc1ncccc1CC(=O)CO 1458a_100000210174_100000732876 [0,1,0,0,0,1|2,0,0]=4 1456 B12R1.371 NNC(=O)Cc1ccccc1O 271570a_203496583355_200010210069 [0,1,0,0,0,1|1,0,0]=3 1457 B12R1.371 O=C(CF)Cc1ccccc1Br 1458a_100000751119_100015361967 [0,1,0,0,0,1|2,0,0]=4 1458 B12R1.371 O=C(CF)Cc1ccccc1Cl 1458a_100000183793_100015361967 [0,1,0,0,0,1|2,0,0]=4 1459 B12R1.371 O=C(CF)Cc1ccccc1F 1458a_100000212012_100015361967 [0,1,0,0,0,1|2,0,0]=4 1460 B12R1.371 O=C(CF)Cc1ccccc1I 1458a_100000036491_100015361967 [0,1,0,0,0,1|2,0,0]=4 1461 B12R1.371 O=C(CF)Cc1ccccc1O 1458a_100000743006_100015361967 [0,1,0,0,0,1|2,0,0]=4 1462 B12R1.371 O=C(CO)Cc1ccccc1Br 1458a_100000210174_100000184730 [0,1,0,0,0,1|1,0,0]=3 1463 B12R1.371 O=C(CO)Cc1ccccc1Cl 1458a_100000210174_100000187162 [0,1,0,0,0,1|1,0,0]=3 1464 B12R1.371 O=C(CO)Cc1ccccc1F 1458a_100000210174_100000187165 [0,1,0,0,0,1|1,0,0]=3 1465 B12R1.371 O=C(CO)Cc1ccccc1I 1458a_100000210174_100011216222 [0,1,0,0,0,1|1,0,0]=3 1466 B12R1.371 O=C(CO)Cc1cccnc1Br 1458a_100000210174_100010140945 [0,1,0,0,0,1|2,0,0]=4 1467 B12R1.371 O=C(CO)Cc1cccnc1Cl 1458a_100000210174_100000045678 [0,1,0,0,0,1|2,0,0]=4 1468 B12R1.371 O=C(CO)Cc1cccnc1F 1458a_100000210174_100000099810 [0,1,0,0,0,1|2,0,0]=4 1469 B12R1.371 O=C(CO)Cc1ccncc1Cl 1458a_100000210174_100000763264 [0,1,0,0,0,1|2,0,0]=4 1470 B12R1.371 O=C(CO)Cc1ncccc1Br 1458a_100000210174_100025702911 [0,1,0,0,0,1|2,0,0]=4 1471 B12R1.371 O=C(CO)Cc1ncccc1Cl 1458a_100000210174_100000099807 [0,1,0,0,0,1|2,0,0]=4 1472 B12R1.371 O=C(CO)Cc1ncccc1F 1458a_100000210174_100000104219 [0,1,0,0,0,1|2,0,0]=4 1473 B12R1.371 O=C(CO)Cc1ncccc1O 1458a_100000210174_200020655725 [0,1,0,0,0,1|2,0,0]=4 1474 B12R1.371 O=C(CO)Nc1ccccc1Cl 22a_100000185783_100000210174 [0,1,0,0,0,1|1,0,0]=3 1475 B12R1.371 O=C(CO)Nc1ccccc1Cl 527a_100000185783_100000210174 [0,1,0,0,0,1|1,0,0]=3 1476 B12R1.371 O=C(CO)Nc1ccccc1F 22a_100000210422_100000210174 [0,1,0,0,0,1|1,0,0]=3 1477 B12R1.371 O=C(CO)Nc1ccccc1F 527a_100000210422_100000210174 [0,1,0,0,0,1|1,0,0]=3 1478 B12R1.371 O=C(CO)Nc1ccccc1O 22a_100000185747_100000210174 [0,1,0,0,0,1|1,0,0]=3 1479 B12R1.371 O=C(CO)Nc1ccccc1O 527a_100000185747_100000210174 [0,1,0,0,0,1|1,0,0]=3 1480 B12R1.9 CNS(=O)(=O)c1ccc(cc1)Br 270084a_100102657272_100000182491 [0,2,0,0,0,0|2,0,0]=4 1481 B12R1.9 CNS(=O)(=O)c1ccc(cc1)Br 274078a_100102657272_100000182491 [0,2,0,0,0,0|2,0,0]=4 1482 B12R1.9 CNS(=O)(=O)c1ccc(cc1)Br 40a_100102657272_100010306709 [0,2,0,0,0,0|2,0,0]=4 1483 B12R1.9 CNS(=O)(=O)c1ccc(cc1)C 270084a_100102657272_100000211267 [0,2,0,0,0,0|2,0,0]=4 1484 B12R1.9 CNS(=O)(=O)c1ccc(cc1)C 274078a_100102657272_100000211267 [0,2,0,0,0,0|2,0,0]=4 1485 B12R1.9 CNS(=O)(=O)c1ccc(cc1)C 40a_100102657272_100000039673 [0,2,0,0,0,0|2,0,0]=4 1486 B12R1.9 CNS(=O)(=O)c1ccc(cc1)Cl 270084a_100102657272_100000209962 [0,2,0,0,0,0|2,0,0]=4 1487 B12R1.9 CNS(=O)(=O)c1ccc(cc1)Cl 274078a_100102657272_100000209962 [0,2,0,0,0,0|2,0,0]=4 1488 B12R1.9 CNS(=O)(=O)c1ccc(cc1)Cl 40a_100102657272_100000077732 [0,2,0,0,0,0|2,0,0]=4 1489 B12R1.9 CNS(=O)(=O)c1ccc(cc1)F 270084a_100102657272_100000184267 [0,2,0,0,0,0|2,0,0]=4 1490 B12R1.9 CNS(=O)(=O)c1ccc(cc1)F 274078a_100102657272_100000184267 [0,2,0,0,0,0|2,0,0]=4 1491 B12R1.9 CNS(=O)(=O)c1ccc(cc1)F 40a_100102657272_100000081159 [0,2,0,0,0,0|2,0,0]=4 1492 B12R1.9 CNS(=O)(=O)c1ccc(cc1)I 270084a_100102657272_100011205396 [0,2,0,0,0,0|2,0,0]=4 1493 B12R1.9 CNS(=O)(=O)c1ccc(cc1)I 274078a_100102657272_100011205396 [0,2,0,0,0,0|2,0,0]=4 1494 B12R1.9 CNS(=O)(=O)c1ccc(cc1)N 40a_100102657272_100000054796 [0,2,0,0,0,0|2,0,0]=4 1495 B12R1.9 CNS(=O)(=O)c1ccc(cc1)O 270084a_100102657272_100020667864 [0,2,0,0,0,0|2,0,0]=4 1496 B12R1.9 CNS(=O)(=O)c1ccc(cc1)O 271570a_203496583355_100000754977 [0,2,0,0,0,0|2,0,0]=4 1497 B12R1.9 CNS(=O)(=O)c1ccc(cc1)O 274078a_100102657272_100020667864 [0,2,0,0,0,0|2,0,0]=4 1498 B12R1.9 NNS(=O)(=O)c1ccc(cc1)O 271570a_203496583355_100000183514 [0,2,0,0,0,0|2,0,0]=4 1499 B12R1.10 CNS(=O)(=O)c1cccc(c1)Br 270084a_100102657272_100000184224 [0,2,0,0,0,0|2,0,0]=4 1500 B12R1.10 CNS(=O)(=O)c1cccc(c1)Br 274078a_100102657272_100000184224 [0,2,0,0,0,0|2,0,0]=4 1501 B12R1.10 CNS(=O)(=O)c1cccc(c1)Br 40a_100102657272_100010340488 [0,2,0,0,0,0|2,0,0]=4 1502 B12R1.10 CNS(=O)(=O)c1cccc(c1)C 270084a_100102657272_100000182797 [0,2,0,0,0,0|2,0,0]=4 1503 B12R1.10 CNS(=O)(=O)c1cccc(c1)C 274078a_100102657272_100000182797 [0,2,0,0,0,0|2,0,0]=4 1504 B12R1.10 CNS(=O)(=O)c1cccc(c1)C 40a_100102657272_100010983817 [0,2,0,0,0,0|2,0,0]=4 1505 B12R1.10 CNS(=O)(=O)c1cccc(c1)Cl 270084a_100102657272_100000182923 [0,2,0,0,0,0|2,0,0]=4 1506 B12R1.10 CNS(=O)(=O)c1cccc(c1)Cl 274078a_100102657272_100000182923 [0,2,0,0,0,0|2,0,0]=4 1507 B12R1.10 CNS(=O)(=O)c1cccc(c1)F 270084a_100102657272_100000184201 [0,2,0,0,0,0|2,0,0]=4 1508 B12R1.10 CNS(=O)(=O)c1cccc(c1)F 274078a_100102657272_100000184201 [0,2,0,0,0,0|2,0,0]=4 1509 B12R1.10 CNS(=O)(=O)c1cccc(c1)N 40a_100102657272_100000034547 [0,2,0,0,0,0|2,0,0]=4 1510 B12R1.10 CNS(=O)(=O)c1cccc(c1)O 271570a_203496583355_100000165148 [0,2,0,0,0,0|2,0,0]=4 1511 B12R1.39 CCNS(=O)(=O)c1ccccc1 270084a_100015525214_100000210345 [0,2,0,0,0,0|2,0,0]=4 1512 B12R1.39 CCNS(=O)(=O)c1ccccc1 274078a_100015525214_100000210345 [0,2,0,0,0,0|2,0,0]=4 1513 B12R1.39 CCNS(=O)(=O)c1ccccc1 40a_100015525214_100000032697 [0,2,0,0,0,0|2,0,0]=4 1514 B12R1.39 CNCS(=O)(=O)c1ccccc1 34a_100102657272_200009813291 [0,2,0,0,0,0|2,0,0]=4 1515 B12R1.39 CNNS(=O)(=O)c1ccccc1 40a_100016993582_100000032697 [0,2,0,0,0,0|2,0,0]=4 1516 B12R1.39 COCS(=O)(=O)c1ccccc1 34a_100138415774_200009813291 [0,2,0,0,0,0|2,0,0]=4 1517 B12R1.195 CNS(=O)(=O)c1ccccc1Br 270084a_100102657272_100000184729 [0,2,0,0,0,0|2,0,0]=4 1518 B12R1.195 CNS(=O)(=O)c1ccccc1Br 274078a_100102657272_100000184729 [0,2,0,0,0,0|2,0,0]=4 1519 B12R1.195 CNS(=O)(=O)c1ccccc1Br 40a_100102657272_100010380725 [0,2,0,0,0,0|2,0,0]=4 1520 B12R1.195 CNS(=O)(=O)c1ccccc1C 270084a_100102657272_100000750907 [0,2,0,0,0,0|2,0,0]=4 1521 B12R1.195 CNS(=O)(=O)c1ccccc1C 274078a_100102657272_100000750907 [0,2,0,0,0,0|2,0,0]=4 1522 B12R1.195 CNS(=O)(=O)c1ccccc1C 40a_100102657272_100010269479 [0,2,0,0,0,0|2,0,0]=4 1523 B12R1.195 CNS(=O)(=O)c1ccccc1Cl 270084a_100102657272_100000184199 [0,2,0,0,0,0|2,0,0]=4 1524 B12R1.195 CNS(=O)(=O)c1ccccc1Cl 274078a_100102657272_100000184199 [0,2,0,0,0,0|2,0,0]=4 1525 B12R1.195 CNS(=O)(=O)c1ccccc1F 270084a_100102657272_100000184916 [0,2,0,0,0,0|2,0,0]=4 1526 B12R1.195 CNS(=O)(=O)c1ccccc1F 274078a_100102657272_100000184916 [0,2,0,0,0,0|2,0,0]=4 1527 B12R1.195 CNS(=O)(=O)c1ccccc1I 270084a_100102657272_100011191325 [0,2,0,0,0,0|2,0,0]=4 1528 B12R1.195 CNS(=O)(=O)c1ccccc1I 274078a_100102657272_100011191325 [0,2,0,0,0,0|2,0,0]=4 1529 B12R1.195 CNS(=O)(=O)c1ccccc1N 40a_100102657272_100000703237 [0,2,0,0,0,0|2,0,0]=4 1530 B12R1.195 CNS(=O)(=O)c1ccccc1O 271570a_203496583355_200000165157 [0,2,0,0,0,0|2,0,0]=4 1531 B12R1.195 NNS(=O)(=O)c1ccccc1O 271570a_203496583355_200011248379 [0,2,0,0,0,0|2,0,0]=4 1532 B12R1.253 CN(C)S(=O)(=O)c1ccccc1 270084a_100102631434_100000210345 [0,2,0,0,0,0|2,0,0]=4 1533 B12R1.253 CN(C)S(=O)(=O)c1ccccc1 274078a_100102631434_100000210345 [0,2,0,0,0,0|2,0,0]=4 1534 B12R1.253 CN(C)S(=O)(=O)c1ccccc1 40a_100102631434_100000032697 [0,2,0,0,0,0|2,0,0]=4 1535 B12R1.478 CC(=O)C(CO)c1ccccc1 1458a_100011218805_200000210301 [0,2,0,0,0,0|1,0,1]=4 1536 B12R1.478 CNC(C(=O)C)c1ccccc1 2230a_106832991635_100009888967 [0,2,0,0,0,0|1,0,1]=4 1537 B12R1.478 CNC(C(=O)C)c1ccccc1 7a_106832991635_100009888967 [0,2,0,0,0,0|1,0,1]=4 1538 B12R1.478 CNC(C(=O)N)c1ccccc1 2230a_106832991635_100000188848 [0,2,0,0,0,0|1,0,1]=4 1539 B12R1.478 CNC(C(=O)N)c1ccccc1 7a_106832991635_100000188848 [0,2,0,0,0,0|1,0,1]=4 1540 B12R1.478 CNC(C(=O)O)c1ccccc1 269956a_100000230147_200000210301 [0,2,0,0,0,0|1,0,1]=4 1541 B12R1.478 CN[C@@H](C(=O)N)c1ccccc1 2230a_100011423151_200000210301 [0,2,0,0,0,0|1,0,1]=4 1542 B12R1.478 [13CH3]C(=O)C(CO)c1ccccc1 1458a_100011218805_200025704644 [0,2,0,0,0,0|1,0,1]=4 1543 B12R1.478 [13CH3]NC(C(=O)O)c1ccccc1 269956a_100000230147_200025704644 [0,2,0,0,0,0|1,0,1]=4 1544 B12R1.478 [13CH3]N[C@@H](C(=O)N)c1ccccc1 2230a_100011423151_200025704644 [0,2,0,0,0,0|1,0,1]=4 1545 B12R1.16 C#CCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000184674 [0,2,0,0,0,0|2,0,0]=4 1546 B12R1.16 C#CCC(=O)c1ccc(cc1)C 1458a_100000188618_100000184674 [0,2,0,0,0,0|2,0,0]=4 1547 B12R1.16 C#CCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000184674 [0,2,0,0,0,0|2,0,0]=4 1548 B12R1.16 C#CCC(=O)c1ccc(cc1)F 1458a_100000187176_100000184674 [0,2,0,0,0,0|2,0,0]=4 1549 B12R1.16 C#CCC(=O)c1ccc(cc1)I 1458a_100000187904_100000184674 [0,2,0,0,0,0|2,0,0]=4 1550 B12R1.16 C#CCC(=O)c1ccc(cc1)O 1458a_100000212099_100000184674 [0,2,0,0,0,0|2,0,0]=4 1551 B12R1.16 C=CCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000210623 [0,2,0,0,0,0|2,0,0]=4 1552 B12R1.16 C=CCC(=O)c1ccc(cc1)C 1458a_100000188618_100000210623 [0,2,0,0,0,0|2,0,0]=4 1553 B12R1.16 C=CCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000210623 [0,2,0,0,0,0|2,0,0]=4 1554 B12R1.16 C=CCC(=O)c1ccc(cc1)F 1458a_100000187176_100000210623 [0,2,0,0,0,0|2,0,0]=4 1555 B12R1.16 C=CCC(=O)c1ccc(cc1)I 1458a_100000187904_100000210623 [0,2,0,0,0,0|2,0,0]=4 1556 B12R1.16 C=CCC(=O)c1ccc(cc1)O 1458a_100000212099_100000210623 [0,2,0,0,0,0|2,0,0]=4 1557 B12R1.16 CC#CC(=O)c1ccc(cc1)O 271570a_203496583355_100153741113 [0,2,0,0,0,0|2,0,0]=4 1558 B12R1.16 CCCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000210303 [0,2,0,0,0,0|2,0,0]=4 1559 B12R1.16 CCCC(=O)c1ccc(cc1)C 1458a_100000188618_100000210303 [0,2,0,0,0,0|2,0,0]=4 1560 B12R1.16 CCCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000210303 [0,2,0,0,0,0|2,0,0]=4 1561 B12R1.16 CCCC(=O)c1ccc(cc1)F 1458a_100000187176_100000210303 [0,2,0,0,0,0|2,0,0]=4 1562 B12R1.16 CCCC(=O)c1ccc(cc1)I 1458a_100000187904_100000210303 [0,2,0,0,0,0|2,0,0]=4 1563 B12R1.16 CCCC(=O)c1ccc(cc1)O 1458a_100000212099_100000210303 [0,2,0,0,0,0|2,0,0]=4 1564 B12R1.16 CCCC(=O)c1ccc(cc1)O 271570a_203496583355_100011267722 [0,2,0,0,0,0|2,0,0]=4 1565 B12R1.16 CCNC(=O)c1ccc(cc1)Br 11a_100015525214_100000185839 [0,2,0,0,0,0|1,0,0]=3 1566 B12R1.16 CCNC(=O)c1ccc(cc1)Br 240690a_100015525214_100000185839 [0,2,0,0,0,0|1,0,0]=3 1567 B12R1.16 CCNC(=O)c1ccc(cc1)Br 527a_100015525214_100000185839 [0,2,0,0,0,0|1,0,0]=3 1568 B12R1.16 CCNC(=O)c1ccc(cc1)C 11a_100015525214_100000188618 [0,2,0,0,0,0|1,0,0]=3 1569 B12R1.16 CCNC(=O)c1ccc(cc1)C 240690a_100015525214_100000188618 [0,2,0,0,0,0|1,0,0]=3 1570 B12R1.16 CCNC(=O)c1ccc(cc1)C 527a_100015525214_100000188618 [0,2,0,0,0,0|1,0,0]=3 1571 B12R1.16 CCNC(=O)c1ccc(cc1)Cl 11a_100015525214_100000210187 [0,2,0,0,0,0|1,0,0]=3 1572 B12R1.16 CCNC(=O)c1ccc(cc1)Cl 240690a_100015525214_100000210187 [0,2,0,0,0,0|1,0,0]=3 1573 B12R1.16 CCNC(=O)c1ccc(cc1)Cl 527a_100015525214_100000210187 [0,2,0,0,0,0|1,0,0]=3 1574 B12R1.16 CCNC(=O)c1ccc(cc1)F 11a_100015525214_100000187176 [0,2,0,0,0,0|1,0,0]=3 1575 B12R1.16 CCNC(=O)c1ccc(cc1)F 240690a_100015525214_100000187176 [0,2,0,0,0,0|1,0,0]=3 1576 B12R1.16 CCNC(=O)c1ccc(cc1)F 527a_100015525214_100000187176 [0,2,0,0,0,0|1,0,0]=3 1577 B12R1.16 CCNC(=O)c1ccc(cc1)I 11a_100015525214_100000187904 [0,2,0,0,0,0|1,0,0]=3 1578 B12R1.16 CCNC(=O)c1ccc(cc1)I 240690a_100015525214_100000187904 [0,2,0,0,0,0|1,0,0]=3 1579 B12R1.16 CCNC(=O)c1ccc(cc1)I 527a_100015525214_100000187904 [0,2,0,0,0,0|1,0,0]=3 1580 B12R1.16 CCNC(=O)c1ccc(cc1)O 240690a_100015525214_100000212099 [0,2,0,0,0,0|1,0,0]=3 1581 B12R1.16 CCNC(=O)c1ccc(cc1)O 271570a_203496583355_100000155177 [0,2,0,0,0,0|1,0,0]=3 1582 B12R1.16 CCNC(=O)c1ccc(cc1)O 527a_100015525214_100000212099 [0,2,0,0,0,0|1,0,0]=3 1583 B12R1.16 CCNC(=O)c1ccc(cn1)O 271570a_203496583355_200011781264 [0,2,0,0,0,0|2,0,0]=4 1584 B12R1.16 CCNC(=O)c1ccc(nc1)O 271570a_203496583355_100000160145 [0,2,0,0,0,0|2,0,0]=4 1585 B12R1.16 CCOC(=O)c1ccc(cc1)O 271570a_203496583355_100000170077 [0,2,0,0,0,0|2,0,0]=4 1586 B12R1.16 CNCC(=O)c1ccc(cc1)Br 34a_100102657272_100000188085 [0,2,0,0,0,0|1,0,0]=3 1587 B12R1.16 CNCC(=O)c1ccc(cc1)Br 7a_106832991635_100000188085 [0,2,0,0,0,0|1,0,0]=3 1588 B12R1.16 CNCC(=O)c1ccc(cc1)C 2230a_106832991635_100000211441 [0,2,0,0,0,0|1,0,0]=3 1589 B12R1.16 CNCC(=O)c1ccc(cc1)C 34a_100102657272_100000211441 [0,2,0,0,0,0|1,0,0]=3 1590 B12R1.16 CNCC(=O)c1ccc(cc1)C 7a_106832991635_100000211441 [0,2,0,0,0,0|1,0,0]=3 1591 B12R1.16 CNCC(=O)c1ccc(cc1)Cl 7a_106832991635_100000211071 [0,2,0,0,0,0|1,0,0]=3 1592 B12R1.16 CNCC(=O)c1ccc(cc1)F 7a_106832991635_100000211279 [0,2,0,0,0,0|1,0,0]=3 1593 B12R1.16 CNCC(=O)c1ccc(cc1)I 34a_100102657272_100011216261 [0,2,0,0,0,0|1,0,0]=3 1594 B12R1.16 CNCC(=O)c1ccc(cc1)I 7a_106832991635_100011216261 [0,2,0,0,0,0|1,0,0]=3 1595 B12R1.16 CNCC(=O)c1ccc(cc1)O 34a_100102657272_100009814261 [0,2,0,0,0,0|1,0,0]=3 1596 B12R1.16 CNCC(=O)c1ccc(cc1)O 7a_106832991635_100000018856 [0,2,0,0,0,0|1,0,0]=3 1597 B12R1.16 CNCC(=O)c1ccc(cn1)Cl 7a_106832991635_100016989621 [0,2,0,0,0,0|2,0,0]=4 1598 B12R1.16 CNNC(=O)c1ccc(cc1)Br 22a_100016993582_100000185839 [0,2,0,0,0,0|1,0,0]=3 1599 B12R1.16 CNNC(=O)c1ccc(cc1)C 22a_100016993582_100000188618 [0,2,0,0,0,0|1,0,0]=3 1600 B12R1.16 CNNC(=O)c1ccc(cc1)Cl 22a_100016993582_100000210187 [0,2,0,0,0,0|1,0,0]=3 1601 B12R1.16 CNNC(=O)c1ccc(cc1)F 22a_100016993582_100000187176 [0,2,0,0,0,0|1,0,0]=3 1602 B12R1.16 CNNC(=O)c1ccc(cc1)I 22a_100016993582_100000187904 [0,2,0,0,0,0|1,0,0]=3 1603 B12R1.16 CNNC(=O)c1ccc(cc1)O 22a_100016993582_100000212099 [0,2,0,0,0,0|1,0,0]=3 1604 B12R1.16 COCC(=O)c1ccc(cc1)Br 34a_100138415774_100000188085 [0,2,0,0,0,0|1,0,0]=3 1605 B12R1.16 COCC(=O)c1ccc(cc1)C 34a_100138415774_100000211441 [0,2,0,0,0,0|1,0,0]=3 1606 B12R1.16 COCC(=O)c1ccc(cc1)F 34a_100000246311_200000210301 [0,2,0,0,0,0|1,0,0]=3 1607 B12R1.16 COCC(=O)c1ccc(cc1)I 34a_100138415774_100011216261 [0,2,0,0,0,0|1,0,0]=3 1608 B12R1.16 COCC(=O)c1ccc(cc1)O 271570a_203496583355_200011343064 [0,2,0,0,0,0|1,0,0]=3 1609 B12R1.16 COCC(=O)c1ccc(cc1)O 34a_100138415774_100009814261 [0,2,0,0,0,0|1,0,0]=3 1610 B12R1.16 CSCC(=O)c1ccc(cc1)Br 62a_100000188085_200000210301 [0,2,0,0,0,0|1,1,0]=4 1611 B12R1.16 CSCC(=O)c1ccc(cc1)C 62a_100000211441_200000210301 [0,2,0,0,0,0|1,1,0]=4 1612 B12R1.16 CSCC(=O)c1ccc(cc1)C 62a_200000210301_100000211441 [0,2,0,0,0,0|1,1,0]=4 1613 B12R1.16 CSCC(=O)c1ccc(cc1)Cl 62a_100000211071_200000210301 [0,2,0,0,0,0|1,1,0]=4 1614 B12R1.16 CSCC(=O)c1ccc(cc1)Cl 62a_200000210301_100000211071 [0,2,0,0,0,0|1,1,0]=4 1615 B12R1.16 CSCC(=O)c1ccc(cc1)F 62a_100000211279_200000210301 [0,2,0,0,0,0|1,1,0]=4 1616 B12R1.16 CSCC(=O)c1ccc(cc1)F 62a_200000210301_100000211279 [0,2,0,0,0,0|1,1,0]=4 1617 B12R1.16 CSCC(=O)c1ccc(cc1)I 62a_100011216261_200000210301 [0,2,0,0,0,0|1,1,0]=4 1618 B12R1.16 CSCC(=O)c1ccc(cc1)I 62a_200000210301_100011216261 [0,2,0,0,0,0|1,1,0]=4 1619 B12R1.16 CSCC(=O)c1ccc(cc1)O 62a_100009814261_200000210301 [0,2,0,0,0,0|1,1,0]=4 1620 B12R1.16 CSCC(=O)c1ccc(cc1)O 62a_200000210301_100009814261 [0,2,0,0,0,0|1,1,0]=4 1621 B12R1.16 Cc1ccc(cc1)C(=O)CC#N 1458a_100000188618_100011214920 [0,2,0,0,0,0|2,0,0]=4 1622 B12R1.16 Cc1ccc(cc1)C(=O)CCF 1458a_100000188618_100011217306 [0,2,0,0,0,0|2,0,0]=4 1623 B12R1.16 Cc1ccc(cc1)C(=O)CCO 1458a_100000188618_100000211926 [0,2,0,0,0,0|1,0,0]=3 1624 B12R1.16 Cc1ccc(cc1)C(=O)CS[13CH3] 62a_100000211441_200025704644 [0,2,0,0,0,0|1,1,0]=4 1625 B12R1.16 Cc1ccc(cc1)C(=O)CS[13CH3] 62a_200025704644_100000211441 [0,2,0,0,0,0|1,1,0]=4 1626 B12R1.16 N#CCC(=O)c1ccc(cc1)Br 1458a_100000185839_100011214920 [0,2,0,0,0,0|2,0,0]=4 1627 B12R1.16 N#CCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100011214920 [0,2,0,0,0,0|2,0,0]=4 1628 B12R1.16 N#CCC(=O)c1ccc(cc1)F 1458a_100000187176_100011214920 [0,2,0,0,0,0|2,0,0]=4 1629 B12R1.16 N#CCC(=O)c1ccc(cc1)I 1458a_100000187904_100011214920 [0,2,0,0,0,0|2,0,0]=4 1630 B12R1.16 N#CCC(=O)c1ccc(cc1)O 1458a_100000212099_100011214920 [0,2,0,0,0,0|2,0,0]=4 1631 B12R1.16 N#CCC(=O)c1ccc(cc1)O 271570a_203496583355_100000740217 [0,2,0,0,0,0|2,0,0]=4 1632 B12R1.16 O=C(CCF)c1ccc(cc1)Br 1458a_100000185839_100011217306 [0,2,0,0,0,0|2,0,0]=4 1633 B12R1.16 O=C(CCF)c1ccc(cc1)Cl 1458a_100000210187_100011217306 [0,2,0,0,0,0|2,0,0]=4 1634 B12R1.16 O=C(CCF)c1ccc(cc1)F 1458a_100000187176_100011217306 [0,2,0,0,0,0|2,0,0]=4 1635 B12R1.16 O=C(CCF)c1ccc(cc1)I 1458a_100000187904_100011217306 [0,2,0,0,0,0|2,0,0]=4 1636 B12R1.16 O=C(CCF)c1ccc(cc1)O 1458a_100000212099_100011217306 [0,2,0,0,0,0|2,0,0]=4 1637 B12R1.16 O=C(CCO)c1ccc(cc1)Br 1458a_100000185839_100000211926 [0,2,0,0,0,0|1,0,0]=3 1638 B12R1.16 O=C(CCO)c1ccc(cc1)Cl 1458a_100000210187_100000211926 [0,2,0,0,0,0|1,0,0]=3 1639 B12R1.16 O=C(CCO)c1ccc(cc1)F 1458a_100000187176_100000211926 [0,2,0,0,0,0|1,0,0]=3 1640 B12R1.16 O=C(CCO)c1ccc(cc1)I 1458a_100000187904_100000211926 [0,2,0,0,0,0|1,0,0]=3 1641 B12R1.16 O=C(CCO)c1ccc(cc1)O 1458a_100000212099_100000211926 [0,2,0,0,0,0|1,0,0]=3 1642 B12R1.16 [13CH3]OCC(=O)c1ccc(cc1)F 34a_100000246311_200025704644 [0,2,0,0,0,0|1,0,0]=3 1643 B12R1.16 [13CH3]SCC(=O)c1ccc(cc1)Br 62a_100000188085_200025704644 [0,2,0,0,0,0|1,1,0]=4 1644 B12R1.16 [13CH3]SCC(=O)c1ccc(cc1)Cl 62a_100000211071_200025704644 [0,2,0,0,0,0|1,1,0]=4 1645 B12R1.16 [13CH3]SCC(=O)c1ccc(cc1)Cl 62a_200025704644_100000211071 [0,2,0,0,0,0|1,1,0]=4 1646 B12R1.16 [13CH3]SCC(=O)c1ccc(cc1)F 62a_100000211279_200025704644 [0,2,0,0,0,0|1,1,0]=4 1647 B12R1.16 [13CH3]SCC(=O)c1ccc(cc1)F 62a_200025704644_100000211279 [0,2,0,0,0,0|1,1,0]=4 1648 B12R1.16 [13CH3]SCC(=O)c1ccc(cc1)I 62a_100011216261_200025704644 [0,2,0,0,0,0|1,1,0]=4 1649 B12R1.16 [13CH3]SCC(=O)c1ccc(cc1)I 62a_200025704644_100011216261 [0,2,0,0,0,0|1,1,0]=4 1650 B12R1.16 [13CH3]SCC(=O)c1ccc(cc1)O 62a_100009814261_200025704644 [0,2,0,0,0,0|1,1,0]=4 1651 B12R1.16 [13CH3]SCC(=O)c1ccc(cc1)O 62a_200025704644_100009814261 [0,2,0,0,0,0|1,1,0]=4 1652 B12R1.17 C#CCC(=O)c1cccc(c1)Br 1458a_100000210664_100000184674 [0,2,0,0,0,0|2,0,0]=4 1653 B12R1.17 C#CCC(=O)c1cccc(c1)C 1458a_100000189346_100000184674 [0,2,0,0,0,0|2,0,0]=4 1654 B12R1.17 C#CCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000184674 [0,2,0,0,0,0|2,0,0]=4 1655 B12R1.17 C#CCC(=O)c1cccc(c1)F 1458a_100000210950_100000184674 [0,2,0,0,0,0|2,0,0]=4 1656 B12R1.17 C#CCC(=O)c1cccc(c1)I 1458a_100000184098_100000184674 [0,2,0,0,0,0|2,0,0]=4 1657 B12R1.17 C#CCC(=O)c1cccc(c1)O 1458a_100000183914_100000184674 [0,2,0,0,0,0|2,0,0]=4 1658 B12R1.17 C=CCC(=O)c1cccc(c1)Br 1458a_100000210664_100000210623 [0,2,0,0,0,0|2,0,0]=4 1659 B12R1.17 C=CCC(=O)c1cccc(c1)C 1458a_100000189346_100000210623 [0,2,0,0,0,0|2,0,0]=4 1660 B12R1.17 C=CCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000210623 [0,2,0,0,0,0|2,0,0]=4 1661 B12R1.17 C=CCC(=O)c1cccc(c1)F 1458a_100000210950_100000210623 [0,2,0,0,0,0|2,0,0]=4 1662 B12R1.17 C=CCC(=O)c1cccc(c1)I 1458a_100000184098_100000210623 [0,2,0,0,0,0|2,0,0]=4 1663 B12R1.17 C=CCC(=O)c1cccc(c1)O 1458a_100000183914_100000210623 [0,2,0,0,0,0|2,0,0]=4 1664 B12R1.17 CCCC(=O)c1cccc(c1)Br 1458a_100000210664_100000210303 [0,2,0,0,0,0|2,0,0]=4 1665 B12R1.17 CCCC(=O)c1cccc(c1)C 1458a_100000189346_100000210303 [0,2,0,0,0,0|2,0,0]=4 1666 B12R1.17 CCCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000210303 [0,2,0,0,0,0|2,0,0]=4 1667 B12R1.17 CCCC(=O)c1cccc(c1)F 1458a_100000210950_100000210303 [0,2,0,0,0,0|2,0,0]=4 1668 B12R1.17 CCCC(=O)c1cccc(c1)I 1458a_100000184098_100000210303 [0,2,0,0,0,0|2,0,0]=4 1669 B12R1.17 CCCC(=O)c1cccc(c1)O 1458a_100000183914_100000210303 [0,2,0,0,0,0|2,0,0]=4 1670 B12R1.17 CCNC(=O)c1cc(ccn1)O 271570a_203496583355_100000194128 [0,2,0,0,0,0|2,0,0]=4 1671 B12R1.17 CCNC(=O)c1cccc(c1)Br 11a_100015525214_100000210664 [0,2,0,0,0,0|1,0,0]=3 1672 B12R1.17 CCNC(=O)c1cccc(c1)Br 240690a_100015525214_100000210664 [0,2,0,0,0,0|1,0,0]=3 1673 B12R1.17 CCNC(=O)c1cccc(c1)Br 527a_100015525214_100000210664 [0,2,0,0,0,0|1,0,0]=3 1674 B12R1.17 CCNC(=O)c1cccc(c1)C 11a_100015525214_100000189346 [0,2,0,0,0,0|1,0,0]=3 1675 B12R1.17 CCNC(=O)c1cccc(c1)C 240690a_100015525214_100000189346 [0,2,0,0,0,0|1,0,0]=3 1676 B12R1.17 CCNC(=O)c1cccc(c1)C 527a_100015525214_100000189346 [0,2,0,0,0,0|1,0,0]=3 1677 B12R1.17 CCNC(=O)c1cccc(c1)Cl 11a_100015525214_100000210390 [0,2,0,0,0,0|1,0,0]=3 1678 B12R1.17 CCNC(=O)c1cccc(c1)Cl 240690a_100015525214_100000210390 [0,2,0,0,0,0|1,0,0]=3 1679 B12R1.17 CCNC(=O)c1cccc(c1)Cl 527a_100015525214_100000210390 [0,2,0,0,0,0|1,0,0]=3 1680 B12R1.17 CCNC(=O)c1cccc(c1)F 11a_100015525214_100000210950 [0,2,0,0,0,0|1,0,0]=3 1681 B12R1.17 CCNC(=O)c1cccc(c1)F 240690a_100015525214_100000210950 [0,2,0,0,0,0|1,0,0]=3 1682 B12R1.17 CCNC(=O)c1cccc(c1)F 527a_100015525214_100000210950 [0,2,0,0,0,0|1,0,0]=3 1683 B12R1.17 CCNC(=O)c1cccc(c1)I 11a_100015525214_100000184098 [0,2,0,0,0,0|1,0,0]=3 1684 B12R1.17 CCNC(=O)c1cccc(c1)I 240690a_100015525214_100000184098 [0,2,0,0,0,0|1,0,0]=3 1685 B12R1.17 CCNC(=O)c1cccc(c1)I 527a_100015525214_100000184098 [0,2,0,0,0,0|1,0,0]=3 1686 B12R1.17 CCNC(=O)c1cccc(c1)O 240690a_100015525214_100000183914 [0,2,0,0,0,0|1,0,0]=3 1687 B12R1.17 CCNC(=O)c1cccc(c1)O 271570a_203496583355_100000155180 [0,2,0,0,0,0|1,0,0]=3 1688 B12R1.17 CCNC(=O)c1cccc(c1)O 527a_100015525214_100000183914 [0,2,0,0,0,0|1,0,0]=3 1689 B12R1.17 CCNC(=O)c1ccnc(c1)O 271570a_203496583355_100000229823 [0,2,0,0,0,0|2,0,0]=4 1690 B12R1.17 CCNC(=O)c1cncc(c1)O 271570a_203496583355_200000155184 [0,2,0,0,0,0|2,0,0]=4 1691 B12R1.17 CCOC(=O)c1cccc(c1)O 271570a_203496583355_100000170211 [0,2,0,0,0,0|2,0,0]=4 1692 B12R1.17 CNCC(=O)c1cccc(c1)Br 2230a_106832991635_100000212080 [0,2,0,0,0,0|1,0,0]=3 1693 B12R1.17 CNCC(=O)c1cccc(c1)Br 34a_100102657272_100000212080 [0,2,0,0,0,0|1,0,0]=3 1694 B12R1.17 CNCC(=O)c1cccc(c1)Br 7a_106832991635_100000212080 [0,2,0,0,0,0|1,0,0]=3 1695 B12R1.17 CNCC(=O)c1cccc(c1)C 2230a_106832991635_100000739480 [0,2,0,0,0,0|1,0,0]=3 1696 B12R1.17 CNCC(=O)c1cccc(c1)C 34a_100102657272_100000739480 [0,2,0,0,0,0|1,0,0]=3 1697 B12R1.17 CNCC(=O)c1cccc(c1)C 7a_106832991635_100000739480 [0,2,0,0,0,0|1,0,0]=3 1698 B12R1.17 CNCC(=O)c1cccc(c1)Cl 2230a_106832991635_100000211444 [0,2,0,0,0,0|1,0,0]=3 1699 B12R1.17 CNCC(=O)c1cccc(c1)Cl 34a_100102657272_100000211444 [0,2,0,0,0,0|1,0,0]=3 1700 B12R1.17 CNCC(=O)c1cccc(c1)Cl 7a_106832991635_100000211444 [0,2,0,0,0,0|1,0,0]=3 1701 B12R1.17 CNCC(=O)c1cccc(c1)F 2230a_106832991635_100000215616 [0,2,0,0,0,0|1,0,0]=3 1702 B12R1.17 CNCC(=O)c1cccc(c1)F 34a_100102657272_100000215616 [0,2,0,0,0,0|1,0,0]=3 1703 B12R1.17 CNCC(=O)c1cccc(c1)O 34a_100102657272_100009813753 [0,2,0,0,0,0|1,0,0]=3 1704 B12R1.17 CNCC(=O)c1cccc(c1)O 7a_106832991635_100009813753 [0,2,0,0,0,0|1,0,0]=3 1705 B12R1.17 CNNC(=O)c1cccc(c1)Br 22a_100016993582_100000210664 [0,2,0,0,0,0|1,0,0]=3 1706 B12R1.17 CNNC(=O)c1cccc(c1)C 22a_100016993582_100000189346 [0,2,0,0,0,0|1,0,0]=3 1707 B12R1.17 CNNC(=O)c1cccc(c1)Cl 22a_100016993582_100000210390 [0,2,0,0,0,0|1,0,0]=3 1708 B12R1.17 CNNC(=O)c1cccc(c1)F 22a_100016993582_100000210950 [0,2,0,0,0,0|1,0,0]=3 1709 B12R1.17 CNNC(=O)c1cccc(c1)I 22a_100016993582_100000184098 [0,2,0,0,0,0|1,0,0]=3 1710 B12R1.17 CNNC(=O)c1cccc(c1)O 22a_100016993582_100000183914 [0,2,0,0,0,0|1,0,0]=3 1711 B12R1.17 COCC(=O)c1cccc(c1)Br 34a_100138415774_100000212080 [0,2,0,0,0,0|1,0,0]=3 1712 B12R1.17 COCC(=O)c1cccc(c1)C 34a_100138415774_100000739480 [0,2,0,0,0,0|1,0,0]=3 1713 B12R1.17 COCC(=O)c1cccc(c1)Cl 34a_100138415774_100000211444 [0,2,0,0,0,0|1,0,0]=3 1714 B12R1.17 COCC(=O)c1cccc(c1)Cl 7a_200011592804_200000210301 [0,2,0,0,0,0|1,0,0]=3 1715 B12R1.17 COCC(=O)c1cccc(c1)F 34a_100011592800_200000210301 [0,2,0,0,0,0|1,0,0]=3 1716 B12R1.17 COCC(=O)c1cccc(c1)F 34a_100138415774_100000215616 [0,2,0,0,0,0|1,0,0]=3 1717 B12R1.17 COCC(=O)c1cccc(c1)F 7a_100011592800_200000210301 [0,2,0,0,0,0|1,0,0]=3 1718 B12R1.17 COCC(=O)c1cccc(c1)O 34a_100138415774_100009813753 [0,2,0,0,0,0|1,0,0]=3 1719 B12R1.17 CSCC(=O)c1cccc(c1)Br 62a_100000212080_200000210301 [0,2,0,0,0,0|1,1,0]=4 1720 B12R1.17 CSCC(=O)c1cccc(c1)Br 62a_200000210301_100000212080 [0,2,0,0,0,0|1,1,0]=4 1721 B12R1.17 CSCC(=O)c1cccc(c1)C 62a_100000739480_200000210301 [0,2,0,0,0,0|1,1,0]=4 1722 B12R1.17 CSCC(=O)c1cccc(c1)C 62a_200000210301_100000739480 [0,2,0,0,0,0|1,1,0]=4 1723 B12R1.17 CSCC(=O)c1cccc(c1)Cl 62a_100000211444_200000210301 [0,2,0,0,0,0|1,1,0]=4 1724 B12R1.17 CSCC(=O)c1cccc(c1)Cl 62a_200000210301_100000211444 [0,2,0,0,0,0|1,1,0]=4 1725 B12R1.17 CSCC(=O)c1cccc(c1)F 62a_100000215616_200000210301 [0,2,0,0,0,0|1,1,0]=4 1726 B12R1.17 CSCC(=O)c1cccc(c1)F 62a_200000210301_100000215616 [0,2,0,0,0,0|1,1,0]=4 1727 B12R1.17 CSCC(=O)c1cccc(c1)O 62a_100009813753_200000210301 [0,2,0,0,0,0|1,1,0]=4 1728 B12R1.17 CSCC(=O)c1cccc(c1)O 62a_200000210301_100009813753 [0,2,0,0,0,0|1,1,0]=4 1729 B12R1.17 Cc1cccc(c1)C(=O)CC#N 1458a_100000189346_100011214920 [0,2,0,0,0,0|2,0,0]=4 1730 B12R1.17 Cc1cccc(c1)C(=O)CCF 1458a_100000189346_100011217306 [0,2,0,0,0,0|2,0,0]=4 1731 B12R1.17 Cc1cccc(c1)C(=O)CCO 1458a_100000189346_100000211926 [0,2,0,0,0,0|1,0,0]=3 1732 B12R1.17 Cc1cccc(c1)C(=O)CS[13CH3] 62a_100000739480_200025704644 [0,2,0,0,0,0|1,1,0]=4 1733 B12R1.17 Cc1cccc(c1)C(=O)CS[13CH3] 62a_200025704644_100000739480 [0,2,0,0,0,0|1,1,0]=4 1734 B12R1.17 N#CCC(=O)c1cccc(c1)Br 1458a_100000210664_100011214920 [0,2,0,0,0,0|2,0,0]=4 1735 B12R1.17 N#CCC(=O)c1cccc(c1)Cl 1458a_100000210390_100011214920 [0,2,0,0,0,0|2,0,0]=4 1736 B12R1.17 N#CCC(=O)c1cccc(c1)F 1458a_100000210950_100011214920 [0,2,0,0,0,0|2,0,0]=4 1737 B12R1.17 N#CCC(=O)c1cccc(c1)I 1458a_100000184098_100011214920 [0,2,0,0,0,0|2,0,0]=4 1738 B12R1.17 N#CCC(=O)c1cccc(c1)O 1458a_100000183914_100011214920 [0,2,0,0,0,0|2,0,0]=4 1739 B12R1.17 N#CCC(=O)c1cccc(c1)O 271570a_203496583355_100000740218 [0,2,0,0,0,0|2,0,0]=4 1740 B12R1.17 O=C(CCF)c1cccc(c1)Br 1458a_100000210664_100011217306 [0,2,0,0,0,0|2,0,0]=4 1741 B12R1.17 O=C(CCF)c1cccc(c1)Cl 1458a_100000210390_100011217306 [0,2,0,0,0,0|2,0,0]=4 1742 B12R1.17 O=C(CCF)c1cccc(c1)F 1458a_100000210950_100011217306 [0,2,0,0,0,0|2,0,0]=4 1743 B12R1.17 O=C(CCF)c1cccc(c1)I 1458a_100000184098_100011217306 [0,2,0,0,0,0|2,0,0]=4 1744 B12R1.17 O=C(CCF)c1cccc(c1)O 1458a_100000183914_100011217306 [0,2,0,0,0,0|2,0,0]=4 1745 B12R1.17 O=C(CCO)c1cccc(c1)Br 1458a_100000210664_100000211926 [0,2,0,0,0,0|1,0,0]=3 1746 B12R1.17 O=C(CCO)c1cccc(c1)Cl 1458a_100000210390_100000211926 [0,2,0,0,0,0|1,0,0]=3 1747 B12R1.17 O=C(CCO)c1cccc(c1)F 1458a_100000210950_100000211926 [0,2,0,0,0,0|1,0,0]=3 1748 B12R1.17 O=C(CCO)c1cccc(c1)I 1458a_100000184098_100000211926 [0,2,0,0,0,0|1,0,0]=3 1749 B12R1.17 O=C(CCO)c1cccc(c1)O 1458a_100000183914_100000211926 [0,2,0,0,0,0|1,0,0]=3 1750 B12R1.17 [13CH3]OCC(=O)c1cccc(c1)Cl 7a_200011592804_200025704644 [0,2,0,0,0,0|1,0,0]=3 1751 B12R1.17 [13CH3]OCC(=O)c1cccc(c1)F 34a_100011592800_200025704644 [0,2,0,0,0,0|1,0,0]=3 1752 B12R1.17 [13CH3]OCC(=O)c1cccc(c1)F 7a_100011592800_200025704644 [0,2,0,0,0,0|1,0,0]=3 1753 B12R1.17 [13CH3]SCC(=O)c1cccc(c1)Br 62a_100000212080_200025704644 [0,2,0,0,0,0|1,1,0]=4 1754 B12R1.17 [13CH3]SCC(=O)c1cccc(c1)Br 62a_200025704644_100000212080 [0,2,0,0,0,0|1,1,0]=4 1755 B12R1.17 [13CH3]SCC(=O)c1cccc(c1)Cl 62a_100000211444_200025704644 [0,2,0,0,0,0|1,1,0]=4 1756 B12R1.17 [13CH3]SCC(=O)c1cccc(c1)Cl 62a_200025704644_100000211444 [0,2,0,0,0,0|1,1,0]=4 1757 B12R1.17 [13CH3]SCC(=O)c1cccc(c1)F 62a_100000215616_200025704644 [0,2,0,0,0,0|1,1,0]=4 1758 B12R1.17 [13CH3]SCC(=O)c1cccc(c1)F 62a_200025704644_100000215616 [0,2,0,0,0,0|1,1,0]=4 1759 B12R1.17 [13CH3]SCC(=O)c1cccc(c1)O 62a_100009813753_200025704644 [0,2,0,0,0,0|1,1,0]=4 1760 B12R1.17 [13CH3]SCC(=O)c1cccc(c1)O 62a_200025704644_100009813753 [0,2,0,0,0,0|1,1,0]=4 1761 B12R1.30 C#CCCC(=O)c1ccccc1 1458a_100000185807_100000753159 [0,2,0,0,0,0|2,0,0]=4 1762 B12R1.30 C#CCNC(=O)c1ccccc1 11a_100000212058_100000185807 [0,2,0,0,0,0|1,0,0]=3 1763 B12R1.30 C#CCNC(=O)c1ccccc1 1626a_100000212058_100000185807 [0,2,0,0,0,0|1,0,0]=3 1764 B12R1.30 C#CCNC(=O)c1ccccc1 240690a_100000212058_100000185807 [0,2,0,0,0,0|1,0,0]=3 1765 B12R1.30 C#CCNC(=O)c1ccccc1 527a_100000212058_100000185807 [0,2,0,0,0,0|1,0,0]=3 1766 B12R1.30 C/C=C/CC(=O)c1ccccc1 1458a_100000185807_100102629194 [0,2,0,0,0,0|2,0,0]=4 1767 B12R1.30 C=CCCC(=O)c1ccccc1 1458a_100000185807_100000754431 [0,2,0,0,0,0|2,0,0]=4 1768 B12R1.30 C=CCNC(=O)c1ccccc1 1626a_100020586998_100000185807 [0,2,0,0,0,0|1,0,0]=3 1769 B12R1.30 C=CCNC(=O)c1ccccc1 240690a_100020586998_100000185807 [0,2,0,0,0,0|1,0,0]=3 1770 B12R1.30 C=CCNC(=O)c1ccccc1 527a_100020586998_100000185807 [0,2,0,0,0,0|1,0,0]=3 1771 B12R1.30 CC#CCC(=O)c1ccccc1 1458a_100000185807_100000748600 [0,2,0,0,0,0|2,0,0]=4 1772 B12R1.30 CC(NCCO)c1ccccc1 2230a_100016997473_100000230085 [0,2,0,0,0,0|1,0,1]=4 1773 B12R1.30 CC(NCCO)c1ccccc1 269862a_100000210304_100000185851 [0,2,0,0,0,0|1,0,1]=4 1774 B12R1.30 CC(NCCO)c1ccccc1 34a_100016990907_100000211855 [0,2,0,0,0,0|1,0,1]=4 1775 B12R1.30 CC=CCC(=O)c1ccccc1 1458a_100000185807_100000070051 [0,2,0,0,0,0|2,0,0]=4 1776 B12R1.30 CC=NNC(=O)c1ccccc1 4a_100000184135_200000210099 [0,2,0,0,0,0|1,0,0]=3 1777 B12R1.30 CC=NNC(=O)c1ccccn1 4a_100000184044_200000210099 [0,2,0,0,0,0|2,0,0]=4 1778 B12R1.30 CC=NNC(=O)c1cccnc1 4a_100000189771_200000210099 [0,2,0,0,0,0|2,0,0]=4 1779 B12R1.30 CC=NNC(=O)c1ccncc1 4a_100000189768_200000210099 [0,2,0,0,0,0|2,0,0]=4 1780 B12R1.30 CCCCC(=O)c1ccccc1 1458a_100000185807_100000210211 [0,2,0,0,0,0|2,0,0]=4 1781 B12R1.30 CCCNC(=O)c1ccccc1 11a_100020643023_100000185807 [0,2,0,0,0,0|1,0,0]=3 1782 B12R1.30 CCCNC(=O)c1ccccc1 1626a_100020643023_100000185807 [0,2,0,0,0,0|1,0,0]=3 1783 B12R1.30 CCCNC(=O)c1ccccc1 240690a_100020643023_100000185807 [0,2,0,0,0,0|1,0,0]=3 1784 B12R1.30 CCCNC(=O)c1ccccc1 527a_100020643023_100000185807 [0,2,0,0,0,0|1,0,0]=3 1785 B12R1.30 CCNN=C(C)c1ccccc1 4a_100000756455_100000185851 [0,2,0,0,0,0|2,0,0]=4 1786 B12R1.30 CCNNC(=O)c1ccccc1 22a_100000756455_100000185807 [0,2,0,0,0,0|1,0,0]=3 1787 B12R1.30 CCOCC(=O)c1ccccn1 34a_100121572206_100000027445 [0,2,0,0,0,0|2,0,0]=4 1788 B12R1.30 CCSCC(=O)c1ccccc1 62a_100000210202_100000211460 [0,2,0,0,0,0|1,1,0]=4 1789 B12R1.30 CCSCC(=O)c1ccccc1 62a_100000211460_100000210202 [0,2,0,0,0,0|1,1,0]=4 1790 B12R1.30 CNCCC(=O)c1ccccc1 2230a_106832991635_100000750707 [0,2,0,0,0,0|1,0,0]=3 1791 B12R1.30 CNCCC(=O)c1ccccc1 7a_106832991635_100000750707 [0,2,0,0,0,0|1,0,0]=3 1792 B12R1.30 CNCCS(=O)c1ccccc1 2230a_106832991635_100000740319 [0,2,0,0,0,0|2,0,0]=4 1793 B12R1.30 CNCCS(=O)c1ccccc1 7a_106832991635_100000740319 [0,2,0,0,0,0|2,0,0]=4 1794 B12R1.30 CNCOC(=O)c1ccccc1 7a_106832991635_100000073877 [0,2,0,0,0,0|1,0,0]=3 1795 B12R1.30 COCCC(=O)c1ccccc1 1458a_100000185807_100000233755 [0,2,0,0,0,0|1,0,0]=3 1796 B12R1.30 COCN[C@H](C)c1ccccc1 2230a_100000751104_100000766300 [0,2,0,0,0,0|1,0,1]=4 1797 B12R1.30 CSCCC(=O)c1ccccc1 1458a_100000185807_100000751147 [0,2,0,0,0,0|1,1,0]=4 1798 B12R1.30 CSCCC(=O)c1ccccc1 62a_100000750707_200000210301 [0,2,0,0,0,0|1,1,0]=4 1799 B12R1.30 CSCCC(=O)c1ccccc1 62a_200000210301_100000750707 [0,2,0,0,0,0|1,1,0]=4 1800 B12R1.30 CSCOC(=O)c1ccccc1 62a_100000073877_200000210301 [0,2,0,0,0,0|1,1,0]=4 1801 B12R1.30 CSCOC(=O)c1ccccc1 62a_200000210301_100000073877 [0,2,0,0,0,0|1,1,0]=4 1802 B12R1.30 C[C@@H](NCCO)c1ccccc1 2230a_100000751104_100000211926 [0,2,0,0,0,0|1,0,1]=4 1803 B12R1.30 N#CCCC(=O)c1ccccc1 1458a_100000185807_100011215226 [0,2,0,0,0,0|2,0,0]=4 1804 B12R1.30 N#CCNC(=O)c1ccccc1 1626a_100000734998_100000185807 [0,2,0,0,0,0|1,0,0]=3 1805 B12R1.30 N#CCNC(=O)c1ccccc1 527a_100000734998_100000185807 [0,2,0,0,0,0|1,0,0]=3 1806 B12R1.30 O=C(CCCF)c1ccccc1 1458a_100000185807_100011934791 [0,2,0,0,0,0|2,0,0]=4 1807 B12R1.30 O=C(CCCO)c1ccccc1 1458a_100000185807_100011215043 [0,2,0,0,0,0|1,0,0]=3 1808 B12R1.30 O=C(CSCF)c1ccccc1 62a_100000211460_100015361967 [0,2,0,0,0,0|1,1,0]=4 1809 B12R1.30 O=C(CSCF)c1ccccc1 62a_100015361967_100000211460 [0,2,0,0,0,0|1,1,0]=4 1810 B12R1.30 O=C(NCCF)c1ccccc1 11a_100000724931_100000185807 [0,2,0,0,0,0|1,0,0]=3 1811 B12R1.30 O=C(NCCF)c1ccccc1 1626a_100000724931_100000185807 [0,2,0,0,0,0|1,0,0]=3 1812 B12R1.30 O=C(NCCF)c1ccccc1 240690a_100000724931_100000185807 [0,2,0,0,0,0|1,0,0]=3 1813 B12R1.30 O=C(NCCF)c1ccccc1 527a_100000724931_100000185807 [0,2,0,0,0,0|1,0,0]=3 1814 B12R1.30 O=C(NCCO)c1ccccc1 240690a_100000210304_100000185807 [0,2,0,0,0,0|0,0,0]=2 1815 B12R1.30 O=C(NCCO)c1ccccc1 527a_100000210304_100000185807 [0,2,0,0,0,0|0,0,0]=2 1816 B12R1.30 [13CH3]SCCC(=O)c1ccccc1 62a_100000750707_200025704644 [0,2,0,0,0,0|1,1,0]=4 1817 B12R1.30 [13CH3]SCCC(=O)c1ccccc1 62a_200025704644_100000750707 [0,2,0,0,0,0|1,1,0]=4 1818 B12R1.30 [13CH3]SCOC(=O)c1ccccc1 62a_100000073877_200025704644 [0,2,0,0,0,0|1,1,0]=4 1819 B12R1.30 [13CH3]SCOC(=O)c1ccccc1 62a_200025704644_100000073877 [0,2,0,0,0,0|1,1,0]=4 1820 B12R1.107 C=C(C)CC(=O)c1ccccc1 1458a_100000185807_100000748629 [0,2,0,0,0,0|2,0,0]=4 1821 B12R1.107 C=C(F)CC(=O)c1ccccc1 1458a_100000185807_100009893438 [0,2,0,0,0,0|2,0,0]=4 1822 B12R1.107 CC(=O)CC(=O)c1ccccc1 1458a_100000070787_100000211460 [0,2,0,0,0,0|1,0,1]=4 1823 B12R1.107 CC(C)CC(=O)c1ccccc1 1458a_100000185807_100000210624 [0,2,0,0,0,0|2,0,0]=4 1824 B12R1.107 CC(C)NC(=O)c1ccccc1 11a_100138425928_100000185807 [0,2,0,0,0,0|1,0,0]=3 1825 B12R1.107 CC(C)NC(=O)c1ccccc1 1626a_100138425928_100000185807 [0,2,0,0,0,0|1,0,0]=3 1826 B12R1.107 CC(C)NC(=O)c1ccccc1 240690a_100138425928_100000185807 [0,2,0,0,0,0|1,0,0]=3 1827 B12R1.107 CC(C)NC(=O)c1ccccc1 527a_100138425928_100000185807 [0,2,0,0,0,0|1,0,0]=3 1828 B12R1.107 CC(O)CC(=O)c1ccccc1 1458a_100000185807_100011218427 [0,2,0,0,0,0|1,0,0]=3 1829 B12R1.107 CN(C)CC(=O)c1ccccc1 269982a_100102631434_100000211460 [0,2,0,0,0,0|1,0,0]=3 1830 B12R1.107 CN(C)CC(=O)c1ccccn1 269982a_100102631434_100000027445 [0,2,0,0,0,0|2,0,0]=4 1831 B12R1.107 CN(C)CC(=O)c1cccnc1 269982a_100102631434_100000757877 [0,2,0,0,0,0|2,0,0]=4 1832 B12R1.107 CN(C)CC(=O)c1ccncc1 269982a_100102631434_100000027454 [0,2,0,0,0,0|2,0,0]=4 1833 B12R1.107 CN(C)CS(=O)c1ccccc1 269982a_100102631434_100000031784 [0,2,0,0,0,0|2,0,0]=4 1834 B12R1.107 NC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000187820 [0,2,0,0,0,0|1,0,1]=4 1835 B12R1.107 O=C(CC(F)F)c1ccccc1 1458a_100000185807_100011934356 [0,2,0,0,0,0|2,0,0]=4 1836 B12R1.107 O=C(C[N+](=O)[O-])c1ccccc1 1458a_100000185807_100000761209 [0,2,0,0,0,0|0,0,2]=4 1837 B12R1.107 O=C([O-])CC(=O)c1ccccc1 1458a_100000185807_100020667443 [0,2,0,0,0,0|1,0,1]=4 1838 B12R1.308 C#CCC(=O)c1ccccc1Br 1458a_100000188424_100000184674 [0,2,0,0,0,0|2,0,0]=4 1839 B12R1.308 C#CCC(=O)c1ccccc1C 1458a_100000212026_100000184674 [0,2,0,0,0,0|2,0,0]=4 1840 B12R1.308 C#CCC(=O)c1ccccc1Cl 1458a_100000185844_100000184674 [0,2,0,0,0,0|2,0,0]=4 1841 B12R1.308 C#CCC(=O)c1ccccc1F 1458a_100000188656_100000184674 [0,2,0,0,0,0|2,0,0]=4 1842 B12R1.308 C#CCC(=O)c1ccccc1I 1458a_100000187884_100000184674 [0,2,0,0,0,0|2,0,0]=4 1843 B12R1.308 C#CCC(=O)c1ccccc1O 1458a_100015234032_100000184674 [0,2,0,0,0,0|2,0,0]=4 1844 B12R1.308 C#CCC(=O)c1ccccc1[O-] 1458a_100009911694_100000184674 [0,2,0,0,0,0|2,0,0]=4 1845 B12R1.308 C=CCC(=O)c1ccccc1Br 1458a_100000188424_100000210623 [0,2,0,0,0,0|2,0,0]=4 1846 B12R1.308 C=CCC(=O)c1ccccc1C 1458a_100000212026_100000210623 [0,2,0,0,0,0|2,0,0]=4 1847 B12R1.308 C=CCC(=O)c1ccccc1Cl 1458a_100000185844_100000210623 [0,2,0,0,0,0|2,0,0]=4 1848 B12R1.308 C=CCC(=O)c1ccccc1F 1458a_100000188656_100000210623 [0,2,0,0,0,0|2,0,0]=4 1849 B12R1.308 C=CCC(=O)c1ccccc1I 1458a_100000187884_100000210623 [0,2,0,0,0,0|2,0,0]=4 1850 B12R1.308 C=CCC(=O)c1ccccc1O 1458a_100015234032_100000210623 [0,2,0,0,0,0|2,0,0]=4 1851 B12R1.308 C=CCC(=O)c1ccccc1[O-] 1458a_100009911694_100000210623 [0,2,0,0,0,0|2,0,0]=4 1852 B12R1.308 CCCC(=O)c1ccccc1Br 1458a_100000188424_100000210303 [0,2,0,0,0,0|2,0,0]=4 1853 B12R1.308 CCCC(=O)c1ccccc1C 1458a_100000212026_100000210303 [0,2,0,0,0,0|2,0,0]=4 1854 B12R1.308 CCCC(=O)c1ccccc1Cl 1458a_100000185844_100000210303 [0,2,0,0,0,0|2,0,0]=4 1855 B12R1.308 CCCC(=O)c1ccccc1F 1458a_100000188656_100000210303 [0,2,0,0,0,0|2,0,0]=4 1856 B12R1.308 CCCC(=O)c1ccccc1I 1458a_100000187884_100000210303 [0,2,0,0,0,0|2,0,0]=4 1857 B12R1.308 CCCC(=O)c1ccccc1O 1458a_100015234032_100000210303 [0,2,0,0,0,0|2,0,0]=4 1858 B12R1.308 CCCC(=O)c1ccccc1[O-] 1458a_100009911694_100000210303 [0,2,0,0,0,0|2,0,0]=4 1859 B12R1.308 CCNC(=O)c1ccccc1Br 11a_100015525214_100000188424 [0,2,0,0,0,0|1,0,0]=3 1860 B12R1.308 CCNC(=O)c1ccccc1Br 240690a_100015525214_100000188424 [0,2,0,0,0,0|1,0,0]=3 1861 B12R1.308 CCNC(=O)c1ccccc1Br 527a_100015525214_100000188424 [0,2,0,0,0,0|1,0,0]=3 1862 B12R1.308 CCNC(=O)c1ccccc1C 11a_100015525214_100000212026 [0,2,0,0,0,0|1,0,0]=3 1863 B12R1.308 CCNC(=O)c1ccccc1C 240690a_100015525214_100000212026 [0,2,0,0,0,0|1,0,0]=3 1864 B12R1.308 CCNC(=O)c1ccccc1C 527a_100015525214_100000212026 [0,2,0,0,0,0|1,0,0]=3 1865 B12R1.308 CCNC(=O)c1ccccc1Cl 11a_100015525214_100000185844 [0,2,0,0,0,0|1,0,0]=3 1866 B12R1.308 CCNC(=O)c1ccccc1Cl 240690a_100015525214_100000185844 [0,2,0,0,0,0|1,0,0]=3 1867 B12R1.308 CCNC(=O)c1ccccc1Cl 527a_100015525214_100000185844 [0,2,0,0,0,0|1,0,0]=3 1868 B12R1.308 CCNC(=O)c1ccccc1F 11a_100015525214_100000188656 [0,2,0,0,0,0|1,0,0]=3 1869 B12R1.308 CCNC(=O)c1ccccc1F 240690a_100015525214_100000188656 [0,2,0,0,0,0|1,0,0]=3 1870 B12R1.308 CCNC(=O)c1ccccc1F 527a_100015525214_100000188656 [0,2,0,0,0,0|1,0,0]=3 1871 B12R1.308 CCNC(=O)c1ccccc1I 11a_100015525214_100000187884 [0,2,0,0,0,0|1,0,0]=3 1872 B12R1.308 CCNC(=O)c1ccccc1I 240690a_100015525214_100000187884 [0,2,0,0,0,0|1,0,0]=3 1873 B12R1.308 CCNC(=O)c1ccccc1I 527a_100015525214_100000187884 [0,2,0,0,0,0|1,0,0]=3 1874 B12R1.308 CCNC(=O)c1ccccc1O 240690a_100015525214_100015234032 [0,2,0,0,0,0|1,0,0]=3 1875 B12R1.308 CCNC(=O)c1ccccc1O 271570a_203496583355_200000155173 [0,2,0,0,0,0|1,0,0]=3 1876 B12R1.308 CCNC(=O)c1ccccc1[O-] 240690a_100015525214_100009911694 [0,2,0,0,0,0|1,0,0]=3 1877 B12R1.308 CCNC(=O)c1ccccc1[O-] 527a_100015525214_100009911694 [0,2,0,0,0,0|1,0,0]=3 1878 B12R1.308 CCNC(=O)c1cccnc1O 271570a_203496583355_100000160120 [0,2,0,0,0,0|2,0,0]=4 1879 B12R1.308 CCOC(=O)c1ccccc1O 271570a_203496583355_100000169879 [0,2,0,0,0,0|2,0,0]=4 1880 B12R1.308 CNCC(=O)c1ccccc1Br 34a_100102657272_100000199116 [0,2,0,0,0,0|1,0,0]=3 1881 B12R1.308 CNCC(=O)c1ccccc1C 2230a_106832991635_100000741374 [0,2,0,0,0,0|1,0,0]=3 1882 B12R1.308 CNCC(=O)c1ccccc1C 34a_100102657272_100000741374 [0,2,0,0,0,0|1,0,0]=3 1883 B12R1.308 CNCC(=O)c1ccccc1C 7a_106832991635_100000741374 [0,2,0,0,0,0|1,0,0]=3 1884 B12R1.308 CNCC(=O)c1ccccc1Cl 34a_100102657272_100000211432 [0,2,0,0,0,0|1,0,0]=3 1885 B12R1.308 CNCC(=O)c1ccccc1F 34a_100102657272_100000204681 [0,2,0,0,0,0|1,0,0]=3 1886 B12R1.308 CNCC(=O)c1ccccc1F 7a_106832991635_100000204681 [0,2,0,0,0,0|1,0,0]=3 1887 B12R1.308 CNCC(=O)c1ccccc1O 7a_106832991635_100000188908 [0,2,0,0,0,0|1,0,0]=3 1888 B12R1.308 CNNC(=O)c1ccccc1Br 22a_100016993582_100000188424 [0,2,0,0,0,0|1,0,0]=3 1889 B12R1.308 CNNC(=O)c1ccccc1C 22a_100016993582_100000212026 [0,2,0,0,0,0|1,0,0]=3 1890 B12R1.308 CNNC(=O)c1ccccc1Cl 22a_100016993582_100000185844 [0,2,0,0,0,0|1,0,0]=3 1891 B12R1.308 CNNC(=O)c1ccccc1F 22a_100016993582_100000188656 [0,2,0,0,0,0|1,0,0]=3 1892 B12R1.308 CNNC(=O)c1ccccc1I 22a_100016993582_100000187884 [0,2,0,0,0,0|1,0,0]=3 1893 B12R1.308 CNNC(=O)c1ccccc1O 22a_100016993582_100015234032 [0,2,0,0,0,0|1,0,0]=3 1894 B12R1.308 CNNC(=O)c1ccccc1[O-] 22a_100016993582_100009911694 [0,2,0,0,0,0|1,0,0]=3 1895 B12R1.308 COCC(=O)c1ccccc1Br 34a_100138415774_100000199116 [0,2,0,0,0,0|1,0,0]=3 1896 B12R1.308 COCC(=O)c1ccccc1C 34a_100138415774_100000741374 [0,2,0,0,0,0|1,0,0]=3 1897 B12R1.308 COCC(=O)c1ccccc1Cl 34a_100138415774_100000211432 [0,2,0,0,0,0|1,0,0]=3 1898 B12R1.308 COCC(=O)c1ccccc1F 34a_100138415774_100000204681 [0,2,0,0,0,0|1,0,0]=3 1899 B12R1.308 CSCC(=O)c1ccccc1Br 62a_100000199116_200000210301 [0,2,0,0,0,0|1,1,0]=4 1900 B12R1.308 CSCC(=O)c1ccccc1C 62a_100000741374_200000210301 [0,2,0,0,0,0|1,1,0]=4 1901 B12R1.308 CSCC(=O)c1ccccc1C 62a_200000210301_100000741374 [0,2,0,0,0,0|1,1,0]=4 1902 B12R1.308 CSCC(=O)c1ccccc1Cl 62a_100000211432_200000210301 [0,2,0,0,0,0|1,1,0]=4 1903 B12R1.308 CSCC(=O)c1ccccc1Cl 62a_200000210301_100000211432 [0,2,0,0,0,0|1,1,0]=4 1904 B12R1.308 CSCC(=O)c1ccccc1F 62a_100000204681_200000210301 [0,2,0,0,0,0|1,1,0]=4 1905 B12R1.308 CSCC(=O)c1ccccc1F 62a_200000210301_100000204681 [0,2,0,0,0,0|1,1,0]=4 1906 B12R1.308 CSCC(=O)c1ccccc1O 62a_100000188908_200000210301 [0,2,0,0,0,0|1,1,0]=4 1907 B12R1.308 CSCC(=O)c1ccccc1O 62a_200000210301_100000188908 [0,2,0,0,0,0|1,1,0]=4 1908 B12R1.308 Cc1ccccc1C(=O)CC#N 1458a_100000212026_100011214920 [0,2,0,0,0,0|2,0,0]=4 1909 B12R1.308 Cc1ccccc1C(=O)CCF 1458a_100000212026_100011217306 [0,2,0,0,0,0|2,0,0]=4 1910 B12R1.308 Cc1ccccc1C(=O)CCO 1458a_100000212026_100000211926 [0,2,0,0,0,0|1,0,0]=3 1911 B12R1.308 Cc1ccccc1C(=O)CS[13CH3] 62a_100000741374_200025704644 [0,2,0,0,0,0|1,1,0]=4 1912 B12R1.308 Cc1ccccc1C(=O)CS[13CH3] 62a_200025704644_100000741374 [0,2,0,0,0,0|1,1,0]=4 1913 B12R1.308 N#CCC(=O)c1ccccc1Br 1458a_100000188424_100011214920 [0,2,0,0,0,0|2,0,0]=4 1914 B12R1.308 N#CCC(=O)c1ccccc1Cl 1458a_100000185844_100011214920 [0,2,0,0,0,0|2,0,0]=4 1915 B12R1.308 N#CCC(=O)c1ccccc1F 1458a_100000188656_100011214920 [0,2,0,0,0,0|2,0,0]=4 1916 B12R1.308 N#CCC(=O)c1ccccc1I 1458a_100000187884_100011214920 [0,2,0,0,0,0|2,0,0]=4 1917 B12R1.308 N#CCC(=O)c1ccccc1O 1458a_100015234032_100011214920 [0,2,0,0,0,0|2,0,0]=4 1918 B12R1.308 N#CCC(=O)c1ccccc1O 271570a_203496583355_100011225204 [0,2,0,0,0,0|2,0,0]=4 1919 B12R1.308 N#CCC(=O)c1ccccc1[O-] 1458a_100009911694_100011214920 [0,2,0,0,0,0|2,0,0]=4 1920 B12R1.308 O=C(CCF)c1ccccc1Br 1458a_100000188424_100011217306 [0,2,0,0,0,0|2,0,0]=4 1921 B12R1.308 O=C(CCF)c1ccccc1Cl 1458a_100000185844_100011217306 [0,2,0,0,0,0|2,0,0]=4 1922 B12R1.308 O=C(CCF)c1ccccc1F 1458a_100000188656_100011217306 [0,2,0,0,0,0|2,0,0]=4 1923 B12R1.308 O=C(CCF)c1ccccc1I 1458a_100000187884_100011217306 [0,2,0,0,0,0|2,0,0]=4 1924 B12R1.308 O=C(CCF)c1ccccc1O 1458a_100015234032_100011217306 [0,2,0,0,0,0|2,0,0]=4 1925 B12R1.308 O=C(CCF)c1ccccc1[O-] 1458a_100009911694_100011217306 [0,2,0,0,0,0|2,0,0]=4 1926 B12R1.308 O=C(CCO)c1ccccc1Br 1458a_100000188424_100000211926 [0,2,0,0,0,0|1,0,0]=3 1927 B12R1.308 O=C(CCO)c1ccccc1Cl 1458a_100000185844_100000211926 [0,2,0,0,0,0|1,0,0]=3 1928 B12R1.308 O=C(CCO)c1ccccc1F 1458a_100000188656_100000211926 [0,2,0,0,0,0|1,0,0]=3 1929 B12R1.308 O=C(CCO)c1ccccc1I 1458a_100000187884_100000211926 [0,2,0,0,0,0|1,0,0]=3 1930 B12R1.308 O=C(CCO)c1ccccc1O 1458a_100015234032_100000211926 [0,2,0,0,0,0|1,0,0]=3 1931 B12R1.308 O=C(CCO)c1ccccc1[O-] 1458a_100009911694_100000211926 [0,2,0,0,0,0|1,0,0]=3 1932 B12R1.308 [13CH3]SCC(=O)c1ccccc1Br 62a_100000199116_200025704644 [0,2,0,0,0,0|1,1,0]=4 1933 B12R1.308 [13CH3]SCC(=O)c1ccccc1Cl 62a_100000211432_200025704644 [0,2,0,0,0,0|1,1,0]=4 1934 B12R1.308 [13CH3]SCC(=O)c1ccccc1Cl 62a_200025704644_100000211432 [0,2,0,0,0,0|1,1,0]=4 1935 B12R1.308 [13CH3]SCC(=O)c1ccccc1F 62a_100000204681_200025704644 [0,2,0,0,0,0|1,1,0]=4 1936 B12R1.308 [13CH3]SCC(=O)c1ccccc1F 62a_200025704644_100000204681 [0,2,0,0,0,0|1,1,0]=4 1937 B12R1.308 [13CH3]SCC(=O)c1ccccc1O 62a_100000188908_200025704644 [0,2,0,0,0,0|1,1,0]=4 1938 B12R1.308 [13CH3]SCC(=O)c1ccccc1O 62a_200025704644_100000188908 [0,2,0,0,0,0|1,1,0]=4 1939 B12R1.5 C#Cc1ccc(cc1)C(=O)CC 1458a_100011217615_100000210202 [0,2,0,0,0,0|2,0,0]=4 1940 B12R1.5 C#Cc1ccc(cc1)C(=O)CF 1458a_100011217615_100015361967 [0,2,0,0,0,0|2,0,0]=4 1941 B12R1.5 C#Cc1ccc(cc1)C(=O)NC 11a_106832991635_100011217615 [0,2,0,0,0,0|1,0,0]=3 1942 B12R1.5 C#Cc1ccc(cc1)C(=O)NC 1626a_100102657272_100011217615 [0,2,0,0,0,0|1,0,0]=3 1943 B12R1.5 C#Cc1ccc(cc1)C(=O)NC 240690a_100102657272_100011217615 [0,2,0,0,0,0|1,0,0]=3 1944 B12R1.5 C#Cc1ccc(cc1)C(=O)NC 527a_100102657272_100011217615 [0,2,0,0,0,0|1,0,0]=3 1945 B12R1.5 C=Cc1ccc(cc1)C(=O)C#N 271570a_100011290941_100009994572 [0,2,0,0,0,0|2,0,0]=4 1946 B12R1.5 C=Cc1ccc(cc1)C(=O)C=O 271570a_100011290941_100000725942 [0,2,0,0,0,0|1,0,1]=4 1947 B12R1.5 C=Cc1ccc(cc1)C(=O)CC 1458a_100000687532_100000210202 [0,2,0,0,0,0|2,0,0]=4 1948 B12R1.5 C=Cc1ccc(cc1)C(=O)CC 271570a_100011290941_100000211647 [0,2,0,0,0,0|2,0,0]=4 1949 B12R1.5 C=Cc1ccc(cc1)C(=O)CF 1458a_100000687532_100015361967 [0,2,0,0,0,0|2,0,0]=4 1950 B12R1.5 C=Cc1ccc(cc1)C(=O)CN 271570a_100011290941_100000017248 [0,2,0,0,0,0|2,0,0]=4 1951 B12R1.5 C=Cc1ccc(cc1)C(=O)CO 271570a_100011290941_100011219529 [0,2,0,0,0,0|1,0,0]=3 1952 B12R1.5 C=Cc1ccc(cc1)C(=O)NC 11a_106832991635_100000687532 [0,2,0,0,0,0|1,0,0]=3 1953 B12R1.5 C=Cc1ccc(cc1)C(=O)NC 1626a_100102657272_100000687532 [0,2,0,0,0,0|1,0,0]=3 1954 B12R1.5 C=Cc1ccc(cc1)C(=O)NC 240690a_100102657272_100000687532 [0,2,0,0,0,0|1,0,0]=3 1955 B12R1.5 C=Cc1ccc(cc1)C(=O)NC 271570a_100011290941_100000155074 [0,2,0,0,0,0|1,0,0]=3 1956 B12R1.5 C=Cc1ccc(cc1)C(=O)NC 527a_100102657272_100000687532 [0,2,0,0,0,0|1,0,0]=3 1957 B12R1.5 C=Cc1ccc(cc1)C(=O)NN 271570a_100011290941_100000183614 [0,2,0,0,0,0|1,0,0]=3 1958 B12R1.5 C=Cc1ccc(cc1)C(=O)OC 271570a_100011290941_100000150774 [0,2,0,0,0,0|2,0,0]=4 1959 B12R1.5 C=Cc1ccc(cn1)C(=O)NC 271570a_100011290941_100000159860 [0,2,0,0,0,0|2,0,0]=4 1960 B12R1.5 C=Cc1ccc(cn1)C(=O)NN 271570a_100011290941_100000189807 [0,2,0,0,0,0|2,0,0]=4 1961 B12R1.5 C=Cc1ccc(nc1)C(=O)NC 271570a_100011290941_100011781262 [0,2,0,0,0,0|2,0,0]=4 1962 B12R1.5 C=Cc1ccc(nc1)C(=O)NN 271570a_100011290941_100011781063 [0,2,0,0,0,0|2,0,0]=4 1963 B12R1.5 CC(=NO)c1ccc(cc1)O[13CH3] 34a_100000164205_200025704644 [0,2,0,0,0,0|1,0,1]=4 1964 B12R1.5 CCC(=O)c1ccc(cc1)C#N 1458a_100000210717_100000210202 [0,2,0,0,0,0|2,0,0]=4 1965 B12R1.5 CCC(=O)c1ccc(cc1)CC 1458a_100000211226_100000210202 [0,2,0,0,0,0|2,0,0]=4 1966 B12R1.5 CCC(=O)c1ccc(cc1)CO 1458a_100000183892_100000210202 [0,2,0,0,0,0|2,0,0]=4 1967 B12R1.5 CCC(=O)c1ccc(cc1)OC 1458a_100000184203_100000210202 [0,2,0,0,0,0|2,0,0]=4 1968 B12R1.5 CCC(=O)c1ccc(cc1)OC 34a_100000212119_200000210301 [0,2,0,0,0,0|2,0,0]=4 1969 B12R1.5 CCC(=O)c1ccc(cc1)OC 7a_100000212119_200000210301 [0,2,0,0,0,0|2,0,0]=4 1970 B12R1.5 CCC(=O)c1ccc(cc1)O[13CH3] 34a_100000212119_200025704644 [0,2,0,0,0,0|2,0,0]=4 1971 B12R1.5 CCC(=O)c1ccc(cc1)O[13CH3] 7a_100000212119_200025704644 [0,2,0,0,0,0|2,0,0]=4 1972 B12R1.5 CCC(=O)c1ccc(cc1)SC 1458a_100000189692_100000210202 [0,2,0,0,0,0|2,0,0]=4 1973 B12R1.5 CCC(=O)c1ccc(cc1)SC 62a_100000211647_200000210301 [0,2,0,0,0,0|2,0,0]=4 1974 B12R1.5 CCC(=O)c1ccc(cc1)SC 62a_200000210301_100000211647 [0,2,0,0,0,0|2,0,0]=4 1975 B12R1.5 CCC(=O)c1ccc(cc1)S[13CH3] 62a_100000211647_200025704644 [0,2,0,0,0,0|2,0,0]=4 1976 B12R1.5 CCC(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000211647 [0,2,0,0,0,0|2,0,0]=4 1977 B12R1.5 CCc1ccc(cc1)C(=O)CF 1458a_100000211226_100015361967 [0,2,0,0,0,0|2,0,0]=4 1978 B12R1.5 CCc1ccc(cc1)C(=O)NC 11a_106832991635_100000211226 [0,2,0,0,0,0|1,0,0]=3 1979 B12R1.5 CCc1ccc(cc1)C(=O)NC 1626a_100102657272_100000211226 [0,2,0,0,0,0|1,0,0]=3 1980 B12R1.5 CCc1ccc(cc1)C(=O)NC 240690a_100102657272_100000211226 [0,2,0,0,0,0|1,0,0]=3 1981 B12R1.5 CCc1ccc(cc1)C(=O)NC 527a_100102657272_100000211226 [0,2,0,0,0,0|1,0,0]=3 1982 B12R1.5 CNC(=O)c1ccc(cc1)C#N 11a_106832991635_100000210717 [0,2,0,0,0,0|1,0,0]=3 1983 B12R1.5 CNC(=O)c1ccc(cc1)C#N 1626a_100102657272_100000210717 [0,2,0,0,0,0|1,0,0]=3 1984 B12R1.5 CNC(=O)c1ccc(cc1)C#N 240690a_100102657272_100000210717 [0,2,0,0,0,0|1,0,0]=3 1985 B12R1.5 CNC(=O)c1ccc(cc1)C#N 527a_100102657272_100000210717 [0,2,0,0,0,0|1,0,0]=3 1986 B12R1.5 CNC(=O)c1ccc(cc1)CO 1626a_100102657272_100000183892 [0,2,0,0,0,0|1,0,0]=3 1987 B12R1.5 CNC(=O)c1ccc(cc1)CO 240690a_100102657272_100000183892 [0,2,0,0,0,0|1,0,0]=3 1988 B12R1.5 CNC(=O)c1ccc(cc1)NC 2230a_100000184841_200000210301 [0,2,0,0,0,0|1,0,0]=3 1989 B12R1.5 CNC(=O)c1ccc(cc1)NC 27a_100102657272_100000155074 [0,2,0,0,0,0|1,0,0]=3 1990 B12R1.5 CNC(=O)c1ccc(cc1)NC 34a_100000184841_200000210301 [0,2,0,0,0,0|1,0,0]=3 1991 B12R1.5 CNC(=O)c1ccc(cc1)N[13CH3] 2230a_100000184841_200025704644 [0,2,0,0,0,0|1,0,0]=3 1992 B12R1.5 CNC(=O)c1ccc(cc1)N[13CH3] 34a_100000184841_200025704644 [0,2,0,0,0,0|1,0,0]=3 1993 B12R1.5 CNC(=O)c1ccc(cc1)OC 11a_106832991635_100000184203 [0,2,0,0,0,0|1,0,0]=3 1994 B12R1.5 CNC(=O)c1ccc(cc1)OC 1626a_100102657272_100000184203 [0,2,0,0,0,0|1,0,0]=3 1995 B12R1.5 CNC(=O)c1ccc(cc1)OC 240690a_100102657272_100000184203 [0,2,0,0,0,0|1,0,0]=3 1996 B12R1.5 CNC(=O)c1ccc(cc1)OC 34a_100000192141_200000210301 [0,2,0,0,0,0|1,0,0]=3 1997 B12R1.5 CNC(=O)c1ccc(cc1)OC 527a_100102657272_100000184203 [0,2,0,0,0,0|1,0,0]=3 1998 B12R1.5 CNC(=O)c1ccc(cc1)OC 7a_100000192141_200000210301 [0,2,0,0,0,0|1,0,0]=3 1999 B12R1.5 CNC(=O)c1ccc(cc1)O[13CH3] 34a_100000192141_200025704644 [0,2,0,0,0,0|1,0,0]=3 2000 B12R1.5 CNC(=O)c1ccc(cc1)O[13CH3] 7a_100000192141_200025704644 [0,2,0,0,0,0|1,0,0]=3 2001 B12R1.5 CNC(=O)c1ccc(cc1)SC 11a_106832991635_100000189692 [0,2,0,0,0,0|1,0,0]=3 2002 B12R1.5 CNC(=O)c1ccc(cc1)SC 1626a_100102657272_100000189692 [0,2,0,0,0,0|1,0,0]=3 2003 B12R1.5 CNC(=O)c1ccc(cc1)SC 240690a_100102657272_100000189692 [0,2,0,0,0,0|1,0,0]=3 2004 B12R1.5 CNC(=O)c1ccc(cc1)SC 527a_100102657272_100000189692 [0,2,0,0,0,0|1,0,0]=3 2005 B12R1.5 CNC(=O)c1ccc(cc1)SC 62a_100000155074_200000210301 [0,2,0,0,0,0|1,0,0]=3 2006 B12R1.5 CNC(=O)c1ccc(cc1)SC 62a_200000210301_100000155074 [0,2,0,0,0,0|1,0,0]=3 2007 B12R1.5 CNC(=O)c1ccc(cc1)S[13CH3] 62a_100000155074_200025704644 [0,2,0,0,0,0|1,0,0]=3 2008 B12R1.5 CNC(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000155074 [0,2,0,0,0,0|1,0,0]=3 2009 B12R1.5 CNC(=O)c1ccc(cn1)NC 27a_100102657272_100011781262 [0,2,0,0,0,0|2,0,0]=4 2010 B12R1.5 CNC(=O)c1ccc(cn1)OC 34a_100009861314_200000210301 [0,2,0,0,0,0|2,0,0]=4 2011 B12R1.5 CNC(=O)c1ccc(cn1)OC 7a_100009861314_200000210301 [0,2,0,0,0,0|2,0,0]=4 2012 B12R1.5 CNC(=O)c1ccc(cn1)O[13CH3] 34a_100009861314_200025704644 [0,2,0,0,0,0|2,0,0]=4 2013 B12R1.5 CNC(=O)c1ccc(cn1)O[13CH3] 7a_100009861314_200025704644 [0,2,0,0,0,0|2,0,0]=4 2014 B12R1.5 CNC(=O)c1ccc(cn1)SC 62a_100011781262_200000210301 [0,2,0,0,0,0|2,0,0]=4 2015 B12R1.5 CNC(=O)c1ccc(cn1)SC 62a_200000210301_100011781262 [0,2,0,0,0,0|2,0,0]=4 2016 B12R1.5 CNC(=O)c1ccc(cn1)S[13CH3] 62a_100011781262_200025704644 [0,2,0,0,0,0|2,0,0]=4 2017 B12R1.5 CNC(=O)c1ccc(cn1)S[13CH3] 62a_200025704644_100011781262 [0,2,0,0,0,0|2,0,0]=4 2018 B12R1.5 CNC(=O)c1ccc(nc1)NC 27a_100102657272_100000159860 [0,2,0,0,0,0|2,0,0]=4 2019 B12R1.5 CNC(=O)c1ccc(nc1)SC 62a_100000159860_200000210301 [0,2,0,0,0,0|2,0,0]=4 2020 B12R1.5 CNC(=O)c1ccc(nc1)SC 62a_200000210301_100000159860 [0,2,0,0,0,0|2,0,0]=4 2021 B12R1.5 CNC(=O)c1ccc(nc1)S[13CH3] 62a_100000159860_200025704644 [0,2,0,0,0,0|2,0,0]=4 2022 B12R1.5 CNC(=O)c1ccc(nc1)S[13CH3] 62a_200025704644_100000159860 [0,2,0,0,0,0|2,0,0]=4 2023 B12R1.5 CNc1ccc(cc1)C(=O)NN 27a_100102657272_100000183614 [0,2,0,0,0,0|1,0,0]=3 2024 B12R1.5 CNc1ccc(cn1)C(=O)NN 27a_100102657272_100000189807 [0,2,0,0,0,0|2,0,0]=4 2025 B12R1.5 COC(=O)c1ccc(cc1)OC 34a_100000150123_200000210301 [0,2,0,0,0,0|2,0,0]=4 2026 B12R1.5 COC(=O)c1ccc(cc1)OC 7a_100000150123_200000210301 [0,2,0,0,0,0|2,0,0]=4 2027 B12R1.5 COC(=O)c1ccc(cc1)O[13CH3] 34a_100000150123_200025704644 [0,2,0,0,0,0|2,0,0]=4 2028 B12R1.5 COC(=O)c1ccc(cc1)O[13CH3] 7a_100000150123_200025704644 [0,2,0,0,0,0|2,0,0]=4 2029 B12R1.5 COC(=O)c1ccc(cc1)SC 62a_100000150774_200000210301 [0,2,0,0,0,0|2,0,0]=4 2030 B12R1.5 COC(=O)c1ccc(cc1)SC 62a_200000210301_100000150774 [0,2,0,0,0,0|2,0,0]=4 2031 B12R1.5 COC(=O)c1ccc(cc1)S[13CH3] 62a_100000150774_200025704644 [0,2,0,0,0,0|2,0,0]=4 2032 B12R1.5 COC(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000150774 [0,2,0,0,0,0|2,0,0]=4 2033 B12R1.5 COc1ccc(cc1)C(=NO)C 34a_100000164205_200000210301 [0,2,0,0,0,0|1,0,1]=4 2034 B12R1.5 COc1ccc(cc1)C(=NO)N 34a_100000231063_200000210301 [0,2,0,0,0,0|1,0,1]=4 2035 B12R1.5 COc1ccc(cc1)C(=O)CBr 7a_100009814261_200000210301 [0,2,0,0,0,0|2,0,0]=4 2036 B12R1.5 COc1ccc(cc1)C(=O)CCl 7a_100000018856_200000210301 [0,2,0,0,0,0|2,0,0]=4 2037 B12R1.5 COc1ccc(cc1)C(=O)CF 1458a_100000184203_100015361967 [0,2,0,0,0,0|2,0,0]=4 2038 B12R1.5 COc1ccc(cc1)C(=O)CF 34a_200010654591_200000210301 [0,2,0,0,0,0|2,0,0]=4 2039 B12R1.5 COc1ccc(cc1)C(=O)CF 7a_200010654591_200000210301 [0,2,0,0,0,0|2,0,0]=4 2040 B12R1.5 COc1ccc(cc1)C(=O)NN 34a_100000185078_200000210301 [0,2,0,0,0,0|1,0,0]=3 2041 B12R1.5 CSc1ccc(cc1)C(=O)C#N 62a_200000210301_100009994572 [0,2,0,0,0,0|2,0,0]=4 2042 B12R1.5 CSc1ccc(cc1)C(=O)C=O 62a_100000725942_200000210301 [0,2,0,0,0,0|1,0,1]=4 2043 B12R1.5 CSc1ccc(cc1)C(=O)C=O 62a_200000210301_100000725942 [0,2,0,0,0,0|1,0,1]=4 2044 B12R1.5 CSc1ccc(cc1)C(=O)CF 1458a_100000189692_100015361967 [0,2,0,0,0,0|2,0,0]=4 2045 B12R1.5 CSc1ccc(cc1)C(=O)CN 62a_100000017248_200000210301 [0,2,0,0,0,0|2,0,0]=4 2046 B12R1.5 CSc1ccc(cc1)C(=O)CN 62a_200000210301_100000017248 [0,2,0,0,0,0|2,0,0]=4 2047 B12R1.5 CSc1ccc(cc1)C(=O)CO 62a_100011219529_200000210301 [0,2,0,0,0,0|1,0,0]=3 2048 B12R1.5 CSc1ccc(cc1)C(=O)CO 62a_200000210301_100011219529 [0,2,0,0,0,0|1,0,0]=3 2049 B12R1.5 CSc1ccc(cc1)C(=O)NN 62a_100000183614_200000210301 [0,2,0,0,0,0|1,0,0]=3 2050 B12R1.5 CSc1ccc(cc1)C(=O)NN 62a_200000210301_100000183614 [0,2,0,0,0,0|1,0,0]=3 2051 B12R1.5 CSc1ccc(cn1)C(=O)NN 62a_100000189807_200000210301 [0,2,0,0,0,0|2,0,0]=4 2052 B12R1.5 CSc1ccc(cn1)C(=O)NN 62a_200000210301_100000189807 [0,2,0,0,0,0|2,0,0]=4 2053 B12R1.5 CSc1ccc(nc1)C(=O)NN 62a_100011781063_200000210301 [0,2,0,0,0,0|2,0,0]=4 2054 B12R1.5 CSc1ccc(nc1)C(=O)NN 62a_200000210301_100011781063 [0,2,0,0,0,0|2,0,0]=4 2055 B12R1.5 N#Cc1ccc(cc1)C(=O)CF 1458a_100000210717_100015361967 [0,2,0,0,0,0|2,0,0]=4 2056 B12R1.5 O=C(CF)c1ccc(cc1)CO 1458a_100000183892_100015361967 [0,2,0,0,0,0|2,0,0]=4 2057 B12R1.5 [13CH3]Oc1ccc(cc1)C(=NO)N 34a_100000231063_200025704644 [0,2,0,0,0,0|1,0,1]=4 2058 B12R1.5 [13CH3]Oc1ccc(cc1)C(=O)CBr 7a_100009814261_200025704644 [0,2,0,0,0,0|2,0,0]=4 2059 B12R1.5 [13CH3]Oc1ccc(cc1)C(=O)CCl 7a_100000018856_200025704644 [0,2,0,0,0,0|2,0,0]=4 2060 B12R1.5 [13CH3]Oc1ccc(cc1)C(=O)CF 34a_200010654591_200025704644 [0,2,0,0,0,0|2,0,0]=4 2061 B12R1.5 [13CH3]Oc1ccc(cc1)C(=O)CF 7a_200010654591_200025704644 [0,2,0,0,0,0|2,0,0]=4 2062 B12R1.5 [13CH3]Oc1ccc(cc1)C(=O)NN 34a_100000185078_200025704644 [0,2,0,0,0,0|1,0,0]=3 2063 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)C#N 62a_200025704644_100009994572 [0,2,0,0,0,0|2,0,0]=4 2064 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)C=O 62a_100000725942_200025704644 [0,2,0,0,0,0|1,0,1]=4 2065 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)C=O 62a_200025704644_100000725942 [0,2,0,0,0,0|1,0,1]=4 2066 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)CN 62a_100000017248_200025704644 [0,2,0,0,0,0|2,0,0]=4 2067 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)CN 62a_200025704644_100000017248 [0,2,0,0,0,0|2,0,0]=4 2068 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)CO 62a_100011219529_200025704644 [0,2,0,0,0,0|1,0,0]=3 2069 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)CO 62a_200025704644_100011219529 [0,2,0,0,0,0|1,0,0]=3 2070 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)NN 62a_100000183614_200025704644 [0,2,0,0,0,0|1,0,0]=3 2071 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)NN 62a_200025704644_100000183614 [0,2,0,0,0,0|1,0,0]=3 2072 B12R1.5 [13CH3]Sc1ccc(cn1)C(=O)NN 62a_100000189807_200025704644 [0,2,0,0,0,0|2,0,0]=4 2073 B12R1.5 [13CH3]Sc1ccc(cn1)C(=O)NN 62a_200025704644_100000189807 [0,2,0,0,0,0|2,0,0]=4 2074 B12R1.5 [13CH3]Sc1ccc(nc1)C(=O)NN 62a_100011781063_200025704644 [0,2,0,0,0,0|2,0,0]=4 2075 B12R1.5 [13CH3]Sc1ccc(nc1)C(=O)NN 62a_200025704644_100011781063 [0,2,0,0,0,0|2,0,0]=4 2076 B12R1.20 CC(C)C(=O)c1ccc(cc1)Br 1458a_100000185839_100000210206 [0,2,0,0,0,0|2,0,0]=4 2077 B12R1.20 CC(C)C(=O)c1ccc(cc1)Cl 1458a_100000210187_100000210206 [0,2,0,0,0,0|2,0,0]=4 2078 B12R1.20 CC(C)C(=O)c1ccc(cc1)F 1458a_100000187176_100000210206 [0,2,0,0,0,0|2,0,0]=4 2079 B12R1.20 CC(C)C(=O)c1ccc(cc1)I 1458a_100000187904_100000210206 [0,2,0,0,0,0|2,0,0]=4 2080 B12R1.20 CC(C)C(=O)c1ccc(cc1)O 1458a_100000212099_100000210206 [0,2,0,0,0,0|2,0,0]=4 2081 B12R1.20 CC(C)C(=O)c1ccc(cc1)O 271570a_203496583355_100011220430 [0,2,0,0,0,0|2,0,0]=4 2082 B12R1.20 CN(C)C(=O)c1ccc(cc1)Br 11a_100102631434_100000185839 [0,2,0,0,0,0|1,0,0]=3 2083 B12R1.20 CN(C)C(=O)c1ccc(cc1)Br 1626a_100102631434_100000185839 [0,2,0,0,0,0|1,0,0]=3 2084 B12R1.20 CN(C)C(=O)c1ccc(cc1)Br 240690a_100102631434_100000185839 [0,2,0,0,0,0|1,0,0]=3 2085 B12R1.20 CN(C)C(=O)c1ccc(cc1)Br 527a_100102631434_100000185839 [0,2,0,0,0,0|1,0,0]=3 2086 B12R1.20 CN(C)C(=O)c1ccc(cc1)Cl 11a_100102631434_100000210187 [0,2,0,0,0,0|1,0,0]=3 2087 B12R1.20 CN(C)C(=O)c1ccc(cc1)Cl 1626a_100102631434_100000210187 [0,2,0,0,0,0|1,0,0]=3 2088 B12R1.20 CN(C)C(=O)c1ccc(cc1)Cl 240690a_100102631434_100000210187 [0,2,0,0,0,0|1,0,0]=3 2089 B12R1.20 CN(C)C(=O)c1ccc(cc1)Cl 527a_100102631434_100000210187 [0,2,0,0,0,0|1,0,0]=3 2090 B12R1.20 CN(C)C(=O)c1ccc(cc1)F 11a_100102631434_100000187176 [0,2,0,0,0,0|1,0,0]=3 2091 B12R1.20 CN(C)C(=O)c1ccc(cc1)F 1626a_100102631434_100000187176 [0,2,0,0,0,0|1,0,0]=3 2092 B12R1.20 CN(C)C(=O)c1ccc(cc1)F 240690a_100102631434_100000187176 [0,2,0,0,0,0|1,0,0]=3 2093 B12R1.20 CN(C)C(=O)c1ccc(cc1)F 527a_100102631434_100000187176 [0,2,0,0,0,0|1,0,0]=3 2094 B12R1.20 CN(C)C(=O)c1ccc(cc1)I 11a_100102631434_100000187904 [0,2,0,0,0,0|1,0,0]=3 2095 B12R1.20 CN(C)C(=O)c1ccc(cc1)I 1626a_100102631434_100000187904 [0,2,0,0,0,0|1,0,0]=3 2096 B12R1.20 CN(C)C(=O)c1ccc(cc1)I 240690a_100102631434_100000187904 [0,2,0,0,0,0|1,0,0]=3 2097 B12R1.20 CN(C)C(=O)c1ccc(cc1)I 527a_100102631434_100000187904 [0,2,0,0,0,0|1,0,0]=3 2098 B12R1.20 CN(C)C(=O)c1ccc(cc1)O 240690a_100102631434_100000212099 [0,2,0,0,0,0|1,0,0]=3 2099 B12R1.20 CN(C)C(=O)c1ccc(cc1)O 271570a_203496583355_100000159574 [0,2,0,0,0,0|1,0,0]=3 2100 B12R1.20 CN(C)C(=O)c1ccc(cc1)O 527a_100102631434_100000212099 [0,2,0,0,0,0|1,0,0]=3 2101 B12R1.20 CN(C)C(=O)c1ccc(cn1)O 271570a_203496583355_200011781295 [0,2,0,0,0,0|2,0,0]=4 2102 B12R1.20 CN(C)C(=O)c1ccc(nc1)O 271570a_203496583355_100000159593 [0,2,0,0,0,0|2,0,0]=4 2103 B12R1.20 Cc1ccc(cc1)C(=O)C(C)C 1458a_100000188618_100000210206 [0,2,0,0,0,0|2,0,0]=4 2104 B12R1.20 Cc1ccc(cc1)C(=O)N(C)C 11a_100102631434_100000188618 [0,2,0,0,0,0|1,0,0]=3 2105 B12R1.20 Cc1ccc(cc1)C(=O)N(C)C 1626a_100102631434_100000188618 [0,2,0,0,0,0|1,0,0]=3 2106 B12R1.20 Cc1ccc(cc1)C(=O)N(C)C 240690a_100102631434_100000188618 [0,2,0,0,0,0|1,0,0]=3 2107 B12R1.20 Cc1ccc(cc1)C(=O)N(C)C 527a_100102631434_100000188618 [0,2,0,0,0,0|1,0,0]=3 2108 B12R1.20 NC(=O)C(=O)c1ccc(cc1)O 271570a_203496583355_200009822167 [0,2,0,0,0,0|1,0,1]=4 2109 B12R1.367 CCC(=O)c1ccc(c(c1)Br)Br 1458a_100012339404_100000210202 [0,2,0,0,0,0|2,0,0]=4 2110 B12R1.367 CCC(=O)c1ccc(c(c1)Br)C 1458a_100000186397_100000210202 [0,2,0,0,0,0|2,0,0]=4 2111 B12R1.367 CCC(=O)c1ccc(c(c1)Br)Cl 1458a_100000691181_100000210202 [0,2,0,0,0,0|2,0,0]=4 2112 B12R1.367 CCC(=O)c1ccc(c(c1)Br)F 1458a_100000760357_100000210202 [0,2,0,0,0,0|2,0,0]=4 2113 B12R1.367 CCC(=O)c1ccc(c(c1)Br)I 1458a_100000739115_100000210202 [0,2,0,0,0,0|2,0,0]=4 2114 B12R1.367 CCC(=O)c1ccc(c(c1)Br)O 1458a_100000189672_100000210202 [0,2,0,0,0,0|2,0,0]=4 2115 B12R1.367 CCC(=O)c1ccc(c(c1)C)Br 1458a_100000692631_100000210202 [0,2,0,0,0,0|2,0,0]=4 2116 B12R1.367 CCC(=O)c1ccc(c(c1)C)C 1458a_100000210898_100000210202 [0,2,0,0,0,0|2,0,0]=4 2117 B12R1.367 CCC(=O)c1ccc(c(c1)C)Cl 1458a_100000686306_100000210202 [0,2,0,0,0,0|2,0,0]=4 2118 B12R1.367 CCC(=O)c1ccc(c(c1)C)F 1458a_100000751819_100000210202 [0,2,0,0,0,0|2,0,0]=4 2119 B12R1.367 CCC(=O)c1ccc(c(c1)C)I 1458a_100000751300_100000210202 [0,2,0,0,0,0|2,0,0]=4 2120 B12R1.367 CCC(=O)c1ccc(c(c1)C)O 1458a_100000685612_100000210202 [0,2,0,0,0,0|2,0,0]=4 2121 B12R1.367 CCC(=O)c1ccc(c(c1)C)O 271570a_203496583355_200012349626 [0,2,0,0,0,0|2,0,0]=4 2122 B12R1.367 CCC(=O)c1ccc(c(c1)Cl)Br 1458a_100000687082_100000210202 [0,2,0,0,0,0|2,0,0]=4 2123 B12R1.367 CCC(=O)c1ccc(c(c1)Cl)C 1458a_100000751740_100000210202 [0,2,0,0,0,0|2,0,0]=4 2124 B12R1.367 CCC(=O)c1ccc(c(c1)Cl)Cl 1458a_100000210401_100000210202 [0,2,0,0,0,0|2,0,0]=4 2125 B12R1.367 CCC(=O)c1ccc(c(c1)Cl)F 1458a_100000686462_100000210202 [0,2,0,0,0,0|2,0,0]=4 2126 B12R1.367 CCC(=O)c1ccc(c(c1)Cl)I 1458a_100000684831_100000210202 [0,2,0,0,0,0|2,0,0]=4 2127 B12R1.367 CCC(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_100000210202 [0,2,0,0,0,0|2,0,0]=4 2128 B12R1.367 CCC(=O)c1ccc(c(c1)F)Br 1458a_100000743946_100000210202 [0,2,0,0,0,0|2,0,0]=4 2129 B12R1.367 CCC(=O)c1ccc(c(c1)F)C 1458a_100000212313_100000210202 [0,2,0,0,0,0|2,0,0]=4 2130 B12R1.367 CCC(=O)c1ccc(c(c1)F)Cl 1458a_100000743183_100000210202 [0,2,0,0,0,0|2,0,0]=4 2131 B12R1.367 CCC(=O)c1ccc(c(c1)F)F 1458a_100000209822_100000210202 [0,2,0,0,0,0|2,0,0]=4 2132 B12R1.367 CCC(=O)c1ccc(c(c1)F)I 1458a_100000062624_100000210202 [0,2,0,0,0,0|2,0,0]=4 2133 B12R1.367 CCC(=O)c1ccc(c(c1)F)O 1458a_100000185466_100000210202 [0,2,0,0,0,0|2,0,0]=4 2134 B12R1.367 CCC(=O)c1ccc(c(c1)I)Br 1458a_100012343876_100000210202 [0,2,0,0,0,0|2,0,0]=4 2135 B12R1.367 CCC(=O)c1ccc(c(c1)I)C 1458a_100000751299_100000210202 [0,2,0,0,0,0|2,0,0]=4 2136 B12R1.367 CCC(=O)c1ccc(c(c1)I)Cl 1458a_100000739381_100000210202 [0,2,0,0,0,0|2,0,0]=4 2137 B12R1.367 CCC(=O)c1ccc(c(c1)I)F 1458a_100000688015_100000210202 [0,2,0,0,0,0|2,0,0]=4 2138 B12R1.367 CCC(=O)c1ccc(c(c1)I)I 1458a_100000725830_100000210202 [0,2,0,0,0,0|2,0,0]=4 2139 B12R1.367 CCC(=O)c1ccc(c(c1)I)O 1458a_100000037485_100000210202 [0,2,0,0,0,0|2,0,0]=4 2140 B12R1.367 CCC(=O)c1ccc(c(c1)O)Br 1458a_100000689001_100000210202 [0,2,0,0,0,0|2,0,0]=4 2141 B12R1.367 CCC(=O)c1ccc(c(c1)O)C 1458a_100000233767_100000210202 [0,2,0,0,0,0|2,0,0]=4 2142 B12R1.367 CCC(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_100000210202 [0,2,0,0,0,0|2,0,0]=4 2143 B12R1.367 CCC(=O)c1ccc(c(c1)O)F 1458a_100000035894_100000210202 [0,2,0,0,0,0|2,0,0]=4 2144 B12R1.367 CCC(=O)c1ccc(c(c1)O)F 271570a_203496583355_100011216493 [0,2,0,0,0,0|2,0,0]=4 2145 B12R1.367 CCC(=O)c1ccc(c(c1)O)I 1458a_100000239334_100000210202 [0,2,0,0,0,0|2,0,0]=4 2146 B12R1.367 CCC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000210202 [0,2,0,0,0,0|2,0,0]=4 2147 B12R1.367 CNC(=O)c1ccc(c(c1)Br)Br 11a_106832991635_100012339404 [0,2,0,0,0,0|1,0,0]=3 2148 B12R1.367 CNC(=O)c1ccc(c(c1)Br)Br 1626a_100102657272_100012339404 [0,2,0,0,0,0|1,0,0]=3 2149 B12R1.367 CNC(=O)c1ccc(c(c1)Br)Br 240690a_100102657272_100012339404 [0,2,0,0,0,0|1,0,0]=3 2150 B12R1.367 CNC(=O)c1ccc(c(c1)Br)Br 527a_100102657272_100012339404 [0,2,0,0,0,0|1,0,0]=3 2151 B12R1.367 CNC(=O)c1ccc(c(c1)Br)C 11a_106832991635_100000186397 [0,2,0,0,0,0|1,0,0]=3 2152 B12R1.367 CNC(=O)c1ccc(c(c1)Br)C 1626a_100102657272_100000186397 [0,2,0,0,0,0|1,0,0]=3 2153 B12R1.367 CNC(=O)c1ccc(c(c1)Br)C 240690a_100102657272_100000186397 [0,2,0,0,0,0|1,0,0]=3 2154 B12R1.367 CNC(=O)c1ccc(c(c1)Br)C 527a_100102657272_100000186397 [0,2,0,0,0,0|1,0,0]=3 2155 B12R1.367 CNC(=O)c1ccc(c(c1)Br)Cl 11a_106832991635_100000691181 [0,2,0,0,0,0|1,0,0]=3 2156 B12R1.367 CNC(=O)c1ccc(c(c1)Br)Cl 1626a_100102657272_100000691181 [0,2,0,0,0,0|1,0,0]=3 2157 B12R1.367 CNC(=O)c1ccc(c(c1)Br)Cl 240690a_100102657272_100000691181 [0,2,0,0,0,0|1,0,0]=3 2158 B12R1.367 CNC(=O)c1ccc(c(c1)Br)Cl 527a_100102657272_100000691181 [0,2,0,0,0,0|1,0,0]=3 2159 B12R1.367 CNC(=O)c1ccc(c(c1)Br)F 11a_106832991635_100000760357 [0,2,0,0,0,0|1,0,0]=3 2160 B12R1.367 CNC(=O)c1ccc(c(c1)Br)F 1626a_100102657272_100000760357 [0,2,0,0,0,0|1,0,0]=3 2161 B12R1.367 CNC(=O)c1ccc(c(c1)Br)F 240690a_100102657272_100000760357 [0,2,0,0,0,0|1,0,0]=3 2162 B12R1.367 CNC(=O)c1ccc(c(c1)Br)F 527a_100102657272_100000760357 [0,2,0,0,0,0|1,0,0]=3 2163 B12R1.367 CNC(=O)c1ccc(c(c1)Br)I 11a_106832991635_100000739115 [0,2,0,0,0,0|1,0,0]=3 2164 B12R1.367 CNC(=O)c1ccc(c(c1)Br)I 1626a_100102657272_100000739115 [0,2,0,0,0,0|1,0,0]=3 2165 B12R1.367 CNC(=O)c1ccc(c(c1)Br)I 240690a_100102657272_100000739115 [0,2,0,0,0,0|1,0,0]=3 2166 B12R1.367 CNC(=O)c1ccc(c(c1)Br)I 527a_100102657272_100000739115 [0,2,0,0,0,0|1,0,0]=3 2167 B12R1.367 CNC(=O)c1ccc(c(c1)Br)O 240690a_100102657272_100000189672 [0,2,0,0,0,0|1,0,0]=3 2168 B12R1.367 CNC(=O)c1ccc(c(c1)C)Br 11a_106832991635_100000692631 [0,2,0,0,0,0|1,0,0]=3 2169 B12R1.367 CNC(=O)c1ccc(c(c1)C)Br 1626a_100102657272_100000692631 [0,2,0,0,0,0|1,0,0]=3 2170 B12R1.367 CNC(=O)c1ccc(c(c1)C)Br 240690a_100102657272_100000692631 [0,2,0,0,0,0|1,0,0]=3 2171 B12R1.367 CNC(=O)c1ccc(c(c1)C)Br 527a_100102657272_100000692631 [0,2,0,0,0,0|1,0,0]=3 2172 B12R1.367 CNC(=O)c1ccc(c(c1)C)C 11a_106832991635_100000210898 [0,2,0,0,0,0|1,0,0]=3 2173 B12R1.367 CNC(=O)c1ccc(c(c1)C)C 1626a_100102657272_100000210898 [0,2,0,0,0,0|1,0,0]=3 2174 B12R1.367 CNC(=O)c1ccc(c(c1)C)C 240690a_100102657272_100000210898 [0,2,0,0,0,0|1,0,0]=3 2175 B12R1.367 CNC(=O)c1ccc(c(c1)C)C 527a_100102657272_100000210898 [0,2,0,0,0,0|1,0,0]=3 2176 B12R1.367 CNC(=O)c1ccc(c(c1)C)Cl 11a_106832991635_100000686306 [0,2,0,0,0,0|1,0,0]=3 2177 B12R1.367 CNC(=O)c1ccc(c(c1)C)Cl 1626a_100102657272_100000686306 [0,2,0,0,0,0|1,0,0]=3 2178 B12R1.367 CNC(=O)c1ccc(c(c1)C)Cl 240690a_100102657272_100000686306 [0,2,0,0,0,0|1,0,0]=3 2179 B12R1.367 CNC(=O)c1ccc(c(c1)C)Cl 527a_100102657272_100000686306 [0,2,0,0,0,0|1,0,0]=3 2180 B12R1.367 CNC(=O)c1ccc(c(c1)C)F 11a_106832991635_100000751819 [0,2,0,0,0,0|1,0,0]=3 2181 B12R1.367 CNC(=O)c1ccc(c(c1)C)F 1626a_100102657272_100000751819 [0,2,0,0,0,0|1,0,0]=3 2182 B12R1.367 CNC(=O)c1ccc(c(c1)C)F 240690a_100102657272_100000751819 [0,2,0,0,0,0|1,0,0]=3 2183 B12R1.367 CNC(=O)c1ccc(c(c1)C)F 527a_100102657272_100000751819 [0,2,0,0,0,0|1,0,0]=3 2184 B12R1.367 CNC(=O)c1ccc(c(c1)C)I 11a_106832991635_100000751300 [0,2,0,0,0,0|1,0,0]=3 2185 B12R1.367 CNC(=O)c1ccc(c(c1)C)I 1626a_100102657272_100000751300 [0,2,0,0,0,0|1,0,0]=3 2186 B12R1.367 CNC(=O)c1ccc(c(c1)C)I 240690a_100102657272_100000751300 [0,2,0,0,0,0|1,0,0]=3 2187 B12R1.367 CNC(=O)c1ccc(c(c1)C)I 527a_100102657272_100000751300 [0,2,0,0,0,0|1,0,0]=3 2188 B12R1.367 CNC(=O)c1ccc(c(c1)C)O 240690a_100102657272_100000685612 [0,2,0,0,0,0|1,0,0]=3 2189 B12R1.367 CNC(=O)c1ccc(c(c1)C)O 271570a_203496583355_200013065384 [0,2,0,0,0,0|1,0,0]=3 2190 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)Br 11a_106832991635_100000687082 [0,2,0,0,0,0|1,0,0]=3 2191 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)Br 1626a_100102657272_100000687082 [0,2,0,0,0,0|1,0,0]=3 2192 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)Br 240690a_100102657272_100000687082 [0,2,0,0,0,0|1,0,0]=3 2193 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)Br 527a_100102657272_100000687082 [0,2,0,0,0,0|1,0,0]=3 2194 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)C 11a_106832991635_100000751740 [0,2,0,0,0,0|1,0,0]=3 2195 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)C 1626a_100102657272_100000751740 [0,2,0,0,0,0|1,0,0]=3 2196 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)C 240690a_100102657272_100000751740 [0,2,0,0,0,0|1,0,0]=3 2197 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)C 527a_100102657272_100000751740 [0,2,0,0,0,0|1,0,0]=3 2198 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)Cl 11a_106832991635_100000210401 [0,2,0,0,0,0|1,0,0]=3 2199 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)Cl 1626a_100102657272_100000210401 [0,2,0,0,0,0|1,0,0]=3 2200 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)Cl 240690a_100102657272_100000210401 [0,2,0,0,0,0|1,0,0]=3 2201 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)Cl 527a_100102657272_100000210401 [0,2,0,0,0,0|1,0,0]=3 2202 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)F 11a_106832991635_100000686462 [0,2,0,0,0,0|1,0,0]=3 2203 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)F 1626a_100102657272_100000686462 [0,2,0,0,0,0|1,0,0]=3 2204 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)F 240690a_100102657272_100000686462 [0,2,0,0,0,0|1,0,0]=3 2205 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)F 527a_100102657272_100000686462 [0,2,0,0,0,0|1,0,0]=3 2206 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)I 11a_106832991635_100000684831 [0,2,0,0,0,0|1,0,0]=3 2207 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)I 1626a_100102657272_100000684831 [0,2,0,0,0,0|1,0,0]=3 2208 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)I 240690a_100102657272_100000684831 [0,2,0,0,0,0|1,0,0]=3 2209 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)I 527a_100102657272_100000684831 [0,2,0,0,0,0|1,0,0]=3 2210 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)O 240690a_100102657272_100000212196 [0,2,0,0,0,0|1,0,0]=3 2211 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)O 527a_100102657272_100000212196 [0,2,0,0,0,0|1,0,0]=3 2212 B12R1.367 CNC(=O)c1ccc(c(c1)F)Br 11a_106832991635_100000743946 [0,2,0,0,0,0|1,0,0]=3 2213 B12R1.367 CNC(=O)c1ccc(c(c1)F)Br 1626a_100102657272_100000743946 [0,2,0,0,0,0|1,0,0]=3 2214 B12R1.367 CNC(=O)c1ccc(c(c1)F)Br 240690a_100102657272_100000743946 [0,2,0,0,0,0|1,0,0]=3 2215 B12R1.367 CNC(=O)c1ccc(c(c1)F)Br 527a_100102657272_100000743946 [0,2,0,0,0,0|1,0,0]=3 2216 B12R1.367 CNC(=O)c1ccc(c(c1)F)C 11a_106832991635_100000212313 [0,2,0,0,0,0|1,0,0]=3 2217 B12R1.367 CNC(=O)c1ccc(c(c1)F)C 1626a_100102657272_100000212313 [0,2,0,0,0,0|1,0,0]=3 2218 B12R1.367 CNC(=O)c1ccc(c(c1)F)C 240690a_100102657272_100000212313 [0,2,0,0,0,0|1,0,0]=3 2219 B12R1.367 CNC(=O)c1ccc(c(c1)F)C 527a_100102657272_100000212313 [0,2,0,0,0,0|1,0,0]=3 2220 B12R1.367 CNC(=O)c1ccc(c(c1)F)Cl 11a_106832991635_100000743183 [0,2,0,0,0,0|1,0,0]=3 2221 B12R1.367 CNC(=O)c1ccc(c(c1)F)Cl 1626a_100102657272_100000743183 [0,2,0,0,0,0|1,0,0]=3 2222 B12R1.367 CNC(=O)c1ccc(c(c1)F)Cl 240690a_100102657272_100000743183 [0,2,0,0,0,0|1,0,0]=3 2223 B12R1.367 CNC(=O)c1ccc(c(c1)F)Cl 527a_100102657272_100000743183 [0,2,0,0,0,0|1,0,0]=3 2224 B12R1.367 CNC(=O)c1ccc(c(c1)F)F 11a_106832991635_100000209822 [0,2,0,0,0,0|1,0,0]=3 2225 B12R1.367 CNC(=O)c1ccc(c(c1)F)F 1626a_100102657272_100000209822 [0,2,0,0,0,0|1,0,0]=3 2226 B12R1.367 CNC(=O)c1ccc(c(c1)F)F 240690a_100102657272_100000209822 [0,2,0,0,0,0|1,0,0]=3 2227 B12R1.367 CNC(=O)c1ccc(c(c1)F)F 527a_100102657272_100000209822 [0,2,0,0,0,0|1,0,0]=3 2228 B12R1.367 CNC(=O)c1ccc(c(c1)F)I 11a_106832991635_100000062624 [0,2,0,0,0,0|1,0,0]=3 2229 B12R1.367 CNC(=O)c1ccc(c(c1)F)I 1626a_100102657272_100000062624 [0,2,0,0,0,0|1,0,0]=3 2230 B12R1.367 CNC(=O)c1ccc(c(c1)F)I 240690a_100102657272_100000062624 [0,2,0,0,0,0|1,0,0]=3 2231 B12R1.367 CNC(=O)c1ccc(c(c1)F)I 527a_100102657272_100000062624 [0,2,0,0,0,0|1,0,0]=3 2232 B12R1.367 CNC(=O)c1ccc(c(c1)F)O 240690a_100102657272_100000185466 [0,2,0,0,0,0|1,0,0]=3 2233 B12R1.367 CNC(=O)c1ccc(c(c1)F)O 527a_100102657272_100000185466 [0,2,0,0,0,0|1,0,0]=3 2234 B12R1.367 CNC(=O)c1ccc(c(c1)I)Br 11a_106832991635_100012343876 [0,2,0,0,0,0|1,0,0]=3 2235 B12R1.367 CNC(=O)c1ccc(c(c1)I)Br 1626a_100102657272_100012343876 [0,2,0,0,0,0|1,0,0]=3 2236 B12R1.367 CNC(=O)c1ccc(c(c1)I)Br 240690a_100102657272_100012343876 [0,2,0,0,0,0|1,0,0]=3 2237 B12R1.367 CNC(=O)c1ccc(c(c1)I)Br 527a_100102657272_100012343876 [0,2,0,0,0,0|1,0,0]=3 2238 B12R1.367 CNC(=O)c1ccc(c(c1)I)C 11a_106832991635_100000751299 [0,2,0,0,0,0|1,0,0]=3 2239 B12R1.367 CNC(=O)c1ccc(c(c1)I)C 1626a_100102657272_100000751299 [0,2,0,0,0,0|1,0,0]=3 2240 B12R1.367 CNC(=O)c1ccc(c(c1)I)C 240690a_100102657272_100000751299 [0,2,0,0,0,0|1,0,0]=3 2241 B12R1.367 CNC(=O)c1ccc(c(c1)I)C 527a_100102657272_100000751299 [0,2,0,0,0,0|1,0,0]=3 2242 B12R1.367 CNC(=O)c1ccc(c(c1)I)Cl 11a_106832991635_100000739381 [0,2,0,0,0,0|1,0,0]=3 2243 B12R1.367 CNC(=O)c1ccc(c(c1)I)Cl 1626a_100102657272_100000739381 [0,2,0,0,0,0|1,0,0]=3 2244 B12R1.367 CNC(=O)c1ccc(c(c1)I)Cl 240690a_100102657272_100000739381 [0,2,0,0,0,0|1,0,0]=3 2245 B12R1.367 CNC(=O)c1ccc(c(c1)I)Cl 527a_100102657272_100000739381 [0,2,0,0,0,0|1,0,0]=3 2246 B12R1.367 CNC(=O)c1ccc(c(c1)I)F 11a_106832991635_100000688015 [0,2,0,0,0,0|1,0,0]=3 2247 B12R1.367 CNC(=O)c1ccc(c(c1)I)F 1626a_100102657272_100000688015 [0,2,0,0,0,0|1,0,0]=3 2248 B12R1.367 CNC(=O)c1ccc(c(c1)I)F 240690a_100102657272_100000688015 [0,2,0,0,0,0|1,0,0]=3 2249 B12R1.367 CNC(=O)c1ccc(c(c1)I)F 527a_100102657272_100000688015 [0,2,0,0,0,0|1,0,0]=3 2250 B12R1.367 CNC(=O)c1ccc(c(c1)I)I 11a_106832991635_100000725830 [0,2,0,0,0,0|1,0,0]=3 2251 B12R1.367 CNC(=O)c1ccc(c(c1)I)I 1626a_100102657272_100000725830 [0,2,0,0,0,0|1,0,0]=3 2252 B12R1.367 CNC(=O)c1ccc(c(c1)I)I 240690a_100102657272_100000725830 [0,2,0,0,0,0|1,0,0]=3 2253 B12R1.367 CNC(=O)c1ccc(c(c1)I)I 527a_100102657272_100000725830 [0,2,0,0,0,0|1,0,0]=3 2254 B12R1.367 CNC(=O)c1ccc(c(c1)I)O 1626a_100102657272_100000037485 [0,2,0,0,0,0|1,0,0]=3 2255 B12R1.367 CNC(=O)c1ccc(c(c1)I)O 240690a_100102657272_100000037485 [0,2,0,0,0,0|1,0,0]=3 2256 B12R1.367 CNC(=O)c1ccc(c(c1)O)Br 240690a_100102657272_100000689001 [0,2,0,0,0,0|1,0,0]=3 2257 B12R1.367 CNC(=O)c1ccc(c(c1)O)Br 527a_100102657272_100000689001 [0,2,0,0,0,0|1,0,0]=3 2258 B12R1.367 CNC(=O)c1ccc(c(c1)O)C 240690a_100102657272_100000233767 [0,2,0,0,0,0|1,0,0]=3 2259 B12R1.367 CNC(=O)c1ccc(c(c1)O)Cl 240690a_100102657272_100011933997 [0,2,0,0,0,0|1,0,0]=3 2260 B12R1.367 CNC(=O)c1ccc(c(c1)O)Cl 527a_100102657272_100011933997 [0,2,0,0,0,0|1,0,0]=3 2261 B12R1.367 CNC(=O)c1ccc(c(c1)O)F 240690a_100102657272_100000035894 [0,2,0,0,0,0|1,0,0]=3 2262 B12R1.367 CNC(=O)c1ccc(c(c1)O)F 271570a_203496583355_200012359898 [0,2,0,0,0,0|1,0,0]=3 2263 B12R1.367 CNC(=O)c1ccc(c(c1)O)F 527a_100102657272_100000035894 [0,2,0,0,0,0|1,0,0]=3 2264 B12R1.367 CNC(=O)c1ccc(c(c1)O)I 1626a_100102657272_100000239334 [0,2,0,0,0,0|1,0,0]=3 2265 B12R1.367 CNC(=O)c1ccc(c(c1)O)I 240690a_100102657272_100000239334 [0,2,0,0,0,0|1,0,0]=3 2266 B12R1.367 CNC(=O)c1ccc(c(c1)O)I 527a_100102657272_100000239334 [0,2,0,0,0,0|1,0,0]=3 2267 B12R1.367 COC(=O)c1ccc(c(c1)Br)O 271570a_203496583355_100011294788 [0,2,0,0,0,0|2,0,0]=4 2268 B12R1.367 COC(=O)c1ccc(c(c1)C)O 271570a_203496583355_100011215878 [0,2,0,0,0,0|2,0,0]=4 2269 B12R1.367 COC(=O)c1ccc(c(c1)Cl)O 271570a_203496583355_100012356344 [0,2,0,0,0,0|2,0,0]=4 2270 B12R1.367 COC(=O)c1ccc(c(c1)F)O 271570a_203496583355_100000703229 [0,2,0,0,0,0|2,0,0]=4 2271 B12R1.367 COC(=O)c1ccc(c(c1)N)O 271570a_203496583355_100011450966 [0,2,0,0,0,0|2,0,0]=4 2272 B12R1.367 COC(=O)c1ccc(c(c1)O)Br 271570a_203496583355_100012349818 [0,2,0,0,0,0|2,0,0]=4 2273 B12R1.367 COC(=O)c1ccc(c(c1)O)C 271570a_203496583355_100011218856 [0,2,0,0,0,0|2,0,0]=4 2274 B12R1.367 COC(=O)c1ccc(c(c1)O)Cl 271570a_203496583355_100011294800 [0,2,0,0,0,0|2,0,0]=4 2275 B12R1.367 COC(=O)c1ccc(c(c1)O)F 271570a_203496583355_100000722584 [0,2,0,0,0,0|2,0,0]=4 2276 B12R1.367 COC(=O)c1ccc(c(c1)O)N 271570a_203496583355_100000187552 [0,2,0,0,0,0|2,0,0]=4 2277 B12R1.367 COC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100000216328 [0,2,0,0,0,0|2,0,0]=4 2278 B12R1.367 COC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100012350776 [0,2,0,0,0,0|2,0,0]=4 2279 B12R1.367 Cc1cc(ccc1Br)C(=O)CF 1458a_100000692631_100015361967 [0,2,0,0,0,0|2,0,0]=4 2280 B12R1.367 Cc1cc(ccc1Cl)C(=O)CF 1458a_100000686306_100015361967 [0,2,0,0,0,0|2,0,0]=4 2281 B12R1.367 Cc1cc(ccc1F)C(=O)CF 1458a_100000751819_100015361967 [0,2,0,0,0,0|2,0,0]=4 2282 B12R1.367 Cc1cc(ccc1I)C(=O)CF 1458a_100000751300_100015361967 [0,2,0,0,0,0|2,0,0]=4 2283 B12R1.367 Cc1cc(ccc1O)C(=O)CF 1458a_100000685612_100015361967 [0,2,0,0,0,0|2,0,0]=4 2284 B12R1.367 Cc1cc(ccc1O)C(=O)NN 271570a_203496583355_100012339724 [0,2,0,0,0,0|1,0,0]=3 2285 B12R1.367 Cc1ccc(cc1Br)C(=O)CF 1458a_100000186397_100015361967 [0,2,0,0,0,0|2,0,0]=4 2286 B12R1.367 Cc1ccc(cc1C)C(=O)CF 1458a_100000210898_100015361967 [0,2,0,0,0,0|2,0,0]=4 2287 B12R1.367 Cc1ccc(cc1Cl)C(=O)CF 1458a_100000751740_100015361967 [0,2,0,0,0,0|2,0,0]=4 2288 B12R1.367 Cc1ccc(cc1F)C(=O)CF 1458a_100000212313_100015361967 [0,2,0,0,0,0|2,0,0]=4 2289 B12R1.367 Cc1ccc(cc1I)C(=O)CF 1458a_100000751299_100015361967 [0,2,0,0,0,0|2,0,0]=4 2290 B12R1.367 Cc1ccc(cc1O)C(=O)CF 1458a_100000233767_100015361967 [0,2,0,0,0,0|2,0,0]=4 2291 B12R1.367 Cc1ccc(cc1O)C(=O)NN 271570a_203496583355_100000188075 [0,2,0,0,0,0|1,0,0]=3 2292 B12R1.367 NCC(=O)c1ccc(c(c1)F)O 271570a_203496583355_100016989600 [0,2,0,0,0,0|2,0,0]=4 2293 B12R1.367 NNC(=O)c1ccc(c(c1)O)Cl 271570a_203496583355_100000046573 [0,2,0,0,0,0|1,0,0]=3 2294 B12R1.367 O=C(CF)c1ccc(c(c1)Br)Br 1458a_100012339404_100015361967 [0,2,0,0,0,0|2,0,0]=4 2295 B12R1.367 O=C(CF)c1ccc(c(c1)Br)Cl 1458a_100000691181_100015361967 [0,2,0,0,0,0|2,0,0]=4 2296 B12R1.367 O=C(CF)c1ccc(c(c1)Br)F 1458a_100000760357_100015361967 [0,2,0,0,0,0|2,0,0]=4 2297 B12R1.367 O=C(CF)c1ccc(c(c1)Br)I 1458a_100000739115_100015361967 [0,2,0,0,0,0|2,0,0]=4 2298 B12R1.367 O=C(CF)c1ccc(c(c1)Br)O 1458a_100000189672_100015361967 [0,2,0,0,0,0|2,0,0]=4 2299 B12R1.367 O=C(CF)c1ccc(c(c1)Cl)Br 1458a_100000687082_100015361967 [0,2,0,0,0,0|2,0,0]=4 2300 B12R1.367 O=C(CF)c1ccc(c(c1)Cl)Cl 1458a_100000210401_100015361967 [0,2,0,0,0,0|2,0,0]=4 2301 B12R1.367 O=C(CF)c1ccc(c(c1)Cl)F 1458a_100000686462_100015361967 [0,2,0,0,0,0|2,0,0]=4 2302 B12R1.367 O=C(CF)c1ccc(c(c1)Cl)I 1458a_100000684831_100015361967 [0,2,0,0,0,0|2,0,0]=4 2303 B12R1.367 O=C(CF)c1ccc(c(c1)Cl)O 1458a_100000212196_100015361967 [0,2,0,0,0,0|2,0,0]=4 2304 B12R1.367 O=C(CF)c1ccc(c(c1)F)Br 1458a_100000743946_100015361967 [0,2,0,0,0,0|2,0,0]=4 2305 B12R1.367 O=C(CF)c1ccc(c(c1)F)Cl 1458a_100000743183_100015361967 [0,2,0,0,0,0|2,0,0]=4 2306 B12R1.367 O=C(CF)c1ccc(c(c1)F)F 1458a_100000209822_100015361967 [0,2,0,0,0,0|2,0,0]=4 2307 B12R1.367 O=C(CF)c1ccc(c(c1)F)I 1458a_100000062624_100015361967 [0,2,0,0,0,0|2,0,0]=4 2308 B12R1.367 O=C(CF)c1ccc(c(c1)F)O 1458a_100000185466_100015361967 [0,2,0,0,0,0|2,0,0]=4 2309 B12R1.367 O=C(CF)c1ccc(c(c1)I)Br 1458a_100012343876_100015361967 [0,2,0,0,0,0|2,0,0]=4 2310 B12R1.367 O=C(CF)c1ccc(c(c1)I)Cl 1458a_100000739381_100015361967 [0,2,0,0,0,0|2,0,0]=4 2311 B12R1.367 O=C(CF)c1ccc(c(c1)I)F 1458a_100000688015_100015361967 [0,2,0,0,0,0|2,0,0]=4 2312 B12R1.367 O=C(CF)c1ccc(c(c1)I)I 1458a_100000725830_100015361967 [0,2,0,0,0,0|2,0,0]=4 2313 B12R1.367 O=C(CF)c1ccc(c(c1)I)O 1458a_100000037485_100015361967 [0,2,0,0,0,0|2,0,0]=4 2314 B12R1.367 O=C(CF)c1ccc(c(c1)O)Br 1458a_100000689001_100015361967 [0,2,0,0,0,0|2,0,0]=4 2315 B12R1.367 O=C(CF)c1ccc(c(c1)O)Cl 1458a_100011933997_100015361967 [0,2,0,0,0,0|2,0,0]=4 2316 B12R1.367 O=C(CF)c1ccc(c(c1)O)F 1458a_100000035894_100015361967 [0,2,0,0,0,0|2,0,0]=4 2317 B12R1.367 O=C(CF)c1ccc(c(c1)O)I 1458a_100000239334_100015361967 [0,2,0,0,0,0|2,0,0]=4 2318 B12R1.367 O=C(CF)c1ccc(c(c1)O)O 1458a_100000212155_100015361967 [0,2,0,0,0,0|2,0,0]=4 2319 B12R1.1703 CCC(=O)c1ccc(cc1Br)Br 1458a_100000762965_100000210202 [0,2,0,0,0,0|2,0,0]=4 2320 B12R1.1703 CCC(=O)c1ccc(cc1Br)C 1458a_100000685072_100000210202 [0,2,0,0,0,0|2,0,0]=4 2321 B12R1.1703 CCC(=O)c1ccc(cc1Br)Cl 1458a_100000766353_100000210202 [0,2,0,0,0,0|2,0,0]=4 2322 B12R1.1703 CCC(=O)c1ccc(cc1Br)F 1458a_100000212304_100000210202 [0,2,0,0,0,0|2,0,0]=4 2323 B12R1.1703 CCC(=O)c1ccc(cc1Br)I 1458a_100012360512_100000210202 [0,2,0,0,0,0|2,0,0]=4 2324 B12R1.1703 CCC(=O)c1ccc(cc1Br)O 1458a_100012344906_100000210202 [0,2,0,0,0,0|2,0,0]=4 2325 B12R1.1703 CCC(=O)c1ccc(cc1C)Br 1458a_100000741311_100000210202 [0,2,0,0,0,0|2,0,0]=4 2326 B12R1.1703 CCC(=O)c1ccc(cc1C)C 1458a_100000211164_100000210202 [0,2,0,0,0,0|2,0,0]=4 2327 B12R1.1703 CCC(=O)c1ccc(cc1C)Cl 1458a_100000688705_100000210202 [0,2,0,0,0,0|2,0,0]=4 2328 B12R1.1703 CCC(=O)c1ccc(cc1C)F 1458a_100000686989_100000210202 [0,2,0,0,0,0|2,0,0]=4 2329 B12R1.1703 CCC(=O)c1ccc(cc1C)I 1458a_100010189873_100000210202 [0,2,0,0,0,0|2,0,0]=4 2330 B12R1.1703 CCC(=O)c1ccc(cc1C)O 1458a_100000692822_100000210202 [0,2,0,0,0,0|2,0,0]=4 2331 B12R1.1703 CCC(=O)c1ccc(cc1C)O 271570a_203496583355_200012361375 [0,2,0,0,0,0|2,0,0]=4 2332 B12R1.1703 CCC(=O)c1ccc(cc1Cl)Br 1458a_100000741628_100000210202 [0,2,0,0,0,0|2,0,0]=4 2333 B12R1.1703 CCC(=O)c1ccc(cc1Cl)C 1458a_100000766932_100000210202 [0,2,0,0,0,0|2,0,0]=4 2334 B12R1.1703 CCC(=O)c1ccc(cc1Cl)Cl 1458a_100000185840_100000210202 [0,2,0,0,0,0|2,0,0]=4 2335 B12R1.1703 CCC(=O)c1ccc(cc1Cl)F 1458a_100000211397_100000210202 [0,2,0,0,0,0|2,0,0]=4 2336 B12R1.1703 CCC(=O)c1ccc(cc1Cl)I 1458a_100000751301_100000210202 [0,2,0,0,0,0|2,0,0]=4 2337 B12R1.1703 CCC(=O)c1ccc(cc1Cl)O 1458a_100000702456_100000210202 [0,2,0,0,0,0|2,0,0]=4 2338 B12R1.1703 CCC(=O)c1ccc(cc1F)Br 1458a_100000214689_100000210202 [0,2,0,0,0,0|2,0,0]=4 2339 B12R1.1703 CCC(=O)c1ccc(cc1F)C 1458a_100000766033_100000210202 [0,2,0,0,0,0|2,0,0]=4 2340 B12R1.1703 CCC(=O)c1ccc(cc1F)Cl 1458a_100000212326_100000210202 [0,2,0,0,0,0|2,0,0]=4 2341 B12R1.1703 CCC(=O)c1ccc(cc1F)F 1458a_100000211022_100000210202 [0,2,0,0,0,0|2,0,0]=4 2342 B12R1.1703 CCC(=O)c1ccc(cc1F)I 1458a_100000037189_100000210202 [0,2,0,0,0,0|2,0,0]=4 2343 B12R1.1703 CCC(=O)c1ccc(cc1F)O 1458a_100000689029_100000210202 [0,2,0,0,0,0|2,0,0]=4 2344 B12R1.1703 CCC(=O)c1ccc(cc1F)O 271570a_203496583355_100012360378 [0,2,0,0,0,0|2,0,0]=4 2345 B12R1.1703 CCC(=O)c1ccc(cc1I)Br 1458a_100000751167_100000210202 [0,2,0,0,0,0|2,0,0]=4 2346 B12R1.1703 CCC(=O)c1ccc(cc1I)C 1458a_100009999607_100000210202 [0,2,0,0,0,0|2,0,0]=4 2347 B12R1.1703 CCC(=O)c1ccc(cc1I)Cl 1458a_100000739380_100000210202 [0,2,0,0,0,0|2,0,0]=4 2348 B12R1.1703 CCC(=O)c1ccc(cc1I)F 1458a_100000739341_100000210202 [0,2,0,0,0,0|2,0,0]=4 2349 B12R1.1703 CCC(=O)c1ccc(cc1O)Br 1458a_100000744433_100000210202 [0,2,0,0,0,0|2,0,0]=4 2350 B12R1.1703 CCC(=O)c1ccc(cc1O)C 1458a_100000212137_100000210202 [0,2,0,0,0,0|2,0,0]=4 2351 B12R1.1703 CCC(=O)c1ccc(cc1O)C 271570a_203496583355_200012349623 [0,2,0,0,0,0|2,0,0]=4 2352 B12R1.1703 CCC(=O)c1ccc(cc1O)Cl 1458a_100000188622_100000210202 [0,2,0,0,0,0|2,0,0]=4 2353 B12R1.1703 CCC(=O)c1ccc(cc1O)F 1458a_100000746061_100000210202 [0,2,0,0,0,0|2,0,0]=4 2354 B12R1.1703 CCC(=O)c1ccc(cc1O)I 1458a_100000091984_100000210202 [0,2,0,0,0,0|2,0,0]=4 2355 B12R1.1703 CCC(=O)c1ccc(cc1O)O 1458a_100000212172_100000210202 [0,2,0,0,0,0|2,0,0]=4 2356 B12R1.1703 CNC(=O)c1ccc(cc1Br)Br 11a_106832991635_100000762965 [0,2,0,0,0,0|1,0,0]=3 2357 B12R1.1703 CNC(=O)c1ccc(cc1Br)Br 1626a_100102657272_100000762965 [0,2,0,0,0,0|1,0,0]=3 2358 B12R1.1703 CNC(=O)c1ccc(cc1Br)Br 240690a_100102657272_100000762965 [0,2,0,0,0,0|1,0,0]=3 2359 B12R1.1703 CNC(=O)c1ccc(cc1Br)Br 527a_100102657272_100000762965 [0,2,0,0,0,0|1,0,0]=3 2360 B12R1.1703 CNC(=O)c1ccc(cc1Br)C 11a_106832991635_100000685072 [0,2,0,0,0,0|1,0,0]=3 2361 B12R1.1703 CNC(=O)c1ccc(cc1Br)C 1626a_100102657272_100000685072 [0,2,0,0,0,0|1,0,0]=3 2362 B12R1.1703 CNC(=O)c1ccc(cc1Br)C 240690a_100102657272_100000685072 [0,2,0,0,0,0|1,0,0]=3 2363 B12R1.1703 CNC(=O)c1ccc(cc1Br)C 527a_100102657272_100000685072 [0,2,0,0,0,0|1,0,0]=3 2364 B12R1.1703 CNC(=O)c1ccc(cc1Br)Cl 11a_106832991635_100000766353 [0,2,0,0,0,0|1,0,0]=3 2365 B12R1.1703 CNC(=O)c1ccc(cc1Br)Cl 1626a_100102657272_100000766353 [0,2,0,0,0,0|1,0,0]=3 2366 B12R1.1703 CNC(=O)c1ccc(cc1Br)Cl 240690a_100102657272_100000766353 [0,2,0,0,0,0|1,0,0]=3 2367 B12R1.1703 CNC(=O)c1ccc(cc1Br)Cl 527a_100102657272_100000766353 [0,2,0,0,0,0|1,0,0]=3 2368 B12R1.1703 CNC(=O)c1ccc(cc1Br)F 11a_106832991635_100000212304 [0,2,0,0,0,0|1,0,0]=3 2369 B12R1.1703 CNC(=O)c1ccc(cc1Br)F 1626a_100102657272_100000212304 [0,2,0,0,0,0|1,0,0]=3 2370 B12R1.1703 CNC(=O)c1ccc(cc1Br)F 240690a_100102657272_100000212304 [0,2,0,0,0,0|1,0,0]=3 2371 B12R1.1703 CNC(=O)c1ccc(cc1Br)F 527a_100102657272_100000212304 [0,2,0,0,0,0|1,0,0]=3 2372 B12R1.1703 CNC(=O)c1ccc(cc1Br)I 11a_106832991635_100012360512 [0,2,0,0,0,0|1,0,0]=3 2373 B12R1.1703 CNC(=O)c1ccc(cc1Br)I 1626a_100102657272_100012360512 [0,2,0,0,0,0|1,0,0]=3 2374 B12R1.1703 CNC(=O)c1ccc(cc1Br)I 240690a_100102657272_100012360512 [0,2,0,0,0,0|1,0,0]=3 2375 B12R1.1703 CNC(=O)c1ccc(cc1Br)I 527a_100102657272_100012360512 [0,2,0,0,0,0|1,0,0]=3 2376 B12R1.1703 CNC(=O)c1ccc(cc1Br)O 240690a_100102657272_100012344906 [0,2,0,0,0,0|1,0,0]=3 2377 B12R1.1703 CNC(=O)c1ccc(cc1Br)O 527a_100102657272_100012344906 [0,2,0,0,0,0|1,0,0]=3 2378 B12R1.1703 CNC(=O)c1ccc(cc1C)Br 11a_106832991635_100000741311 [0,2,0,0,0,0|1,0,0]=3 2379 B12R1.1703 CNC(=O)c1ccc(cc1C)Br 1626a_100102657272_100000741311 [0,2,0,0,0,0|1,0,0]=3 2380 B12R1.1703 CNC(=O)c1ccc(cc1C)Br 240690a_100102657272_100000741311 [0,2,0,0,0,0|1,0,0]=3 2381 B12R1.1703 CNC(=O)c1ccc(cc1C)Br 527a_100102657272_100000741311 [0,2,0,0,0,0|1,0,0]=3 2382 B12R1.1703 CNC(=O)c1ccc(cc1C)C 11a_106832991635_100000211164 [0,2,0,0,0,0|1,0,0]=3 2383 B12R1.1703 CNC(=O)c1ccc(cc1C)C 1626a_100102657272_100000211164 [0,2,0,0,0,0|1,0,0]=3 2384 B12R1.1703 CNC(=O)c1ccc(cc1C)C 240690a_100102657272_100000211164 [0,2,0,0,0,0|1,0,0]=3 2385 B12R1.1703 CNC(=O)c1ccc(cc1C)C 527a_100102657272_100000211164 [0,2,0,0,0,0|1,0,0]=3 2386 B12R1.1703 CNC(=O)c1ccc(cc1C)Cl 11a_106832991635_100000688705 [0,2,0,0,0,0|1,0,0]=3 2387 B12R1.1703 CNC(=O)c1ccc(cc1C)Cl 1626a_100102657272_100000688705 [0,2,0,0,0,0|1,0,0]=3 2388 B12R1.1703 CNC(=O)c1ccc(cc1C)Cl 240690a_100102657272_100000688705 [0,2,0,0,0,0|1,0,0]=3 2389 B12R1.1703 CNC(=O)c1ccc(cc1C)Cl 527a_100102657272_100000688705 [0,2,0,0,0,0|1,0,0]=3 2390 B12R1.1703 CNC(=O)c1ccc(cc1C)F 11a_106832991635_100000686989 [0,2,0,0,0,0|1,0,0]=3 2391 B12R1.1703 CNC(=O)c1ccc(cc1C)F 1626a_100102657272_100000686989 [0,2,0,0,0,0|1,0,0]=3 2392 B12R1.1703 CNC(=O)c1ccc(cc1C)F 240690a_100102657272_100000686989 [0,2,0,0,0,0|1,0,0]=3 2393 B12R1.1703 CNC(=O)c1ccc(cc1C)F 527a_100102657272_100000686989 [0,2,0,0,0,0|1,0,0]=3 2394 B12R1.1703 CNC(=O)c1ccc(cc1C)I 11a_106832991635_100010189873 [0,2,0,0,0,0|1,0,0]=3 2395 B12R1.1703 CNC(=O)c1ccc(cc1C)I 1626a_100102657272_100010189873 [0,2,0,0,0,0|1,0,0]=3 2396 B12R1.1703 CNC(=O)c1ccc(cc1C)I 240690a_100102657272_100010189873 [0,2,0,0,0,0|1,0,0]=3 2397 B12R1.1703 CNC(=O)c1ccc(cc1C)I 527a_100102657272_100010189873 [0,2,0,0,0,0|1,0,0]=3 2398 B12R1.1703 CNC(=O)c1ccc(cc1C)O 240690a_100102657272_100000692822 [0,2,0,0,0,0|1,0,0]=3 2399 B12R1.1703 CNC(=O)c1ccc(cc1C)O 527a_100102657272_100000692822 [0,2,0,0,0,0|1,0,0]=3 2400 B12R1.1703 CNC(=O)c1ccc(cc1Cl)Br 11a_106832991635_100000741628 [0,2,0,0,0,0|1,0,0]=3 2401 B12R1.1703 CNC(=O)c1ccc(cc1Cl)Br 1626a_100102657272_100000741628 [0,2,0,0,0,0|1,0,0]=3 2402 B12R1.1703 CNC(=O)c1ccc(cc1Cl)Br 240690a_100102657272_100000741628 [0,2,0,0,0,0|1,0,0]=3 2403 B12R1.1703 CNC(=O)c1ccc(cc1Cl)Br 527a_100102657272_100000741628 [0,2,0,0,0,0|1,0,0]=3 2404 B12R1.1703 CNC(=O)c1ccc(cc1Cl)C 11a_106832991635_100000766932 [0,2,0,0,0,0|1,0,0]=3 2405 B12R1.1703 CNC(=O)c1ccc(cc1Cl)C 1626a_100102657272_100000766932 [0,2,0,0,0,0|1,0,0]=3 2406 B12R1.1703 CNC(=O)c1ccc(cc1Cl)C 240690a_100102657272_100000766932 [0,2,0,0,0,0|1,0,0]=3 2407 B12R1.1703 CNC(=O)c1ccc(cc1Cl)C 527a_100102657272_100000766932 [0,2,0,0,0,0|1,0,0]=3 2408 B12R1.1703 CNC(=O)c1ccc(cc1Cl)Cl 11a_106832991635_100000185840 [0,2,0,0,0,0|1,0,0]=3 2409 B12R1.1703 CNC(=O)c1ccc(cc1Cl)Cl 1626a_100102657272_100000185840 [0,2,0,0,0,0|1,0,0]=3 2410 B12R1.1703 CNC(=O)c1ccc(cc1Cl)Cl 240690a_100102657272_100000185840 [0,2,0,0,0,0|1,0,0]=3 2411 B12R1.1703 CNC(=O)c1ccc(cc1Cl)Cl 527a_100102657272_100000185840 [0,2,0,0,0,0|1,0,0]=3 2412 B12R1.1703 CNC(=O)c1ccc(cc1Cl)F 11a_106832991635_100000211397 [0,2,0,0,0,0|1,0,0]=3 2413 B12R1.1703 CNC(=O)c1ccc(cc1Cl)F 1626a_100102657272_100000211397 [0,2,0,0,0,0|1,0,0]=3 2414 B12R1.1703 CNC(=O)c1ccc(cc1Cl)F 240690a_100102657272_100000211397 [0,2,0,0,0,0|1,0,0]=3 2415 B12R1.1703 CNC(=O)c1ccc(cc1Cl)F 527a_100102657272_100000211397 [0,2,0,0,0,0|1,0,0]=3 2416 B12R1.1703 CNC(=O)c1ccc(cc1Cl)I 11a_106832991635_100000751301 [0,2,0,0,0,0|1,0,0]=3 2417 B12R1.1703 CNC(=O)c1ccc(cc1Cl)I 1626a_100102657272_100000751301 [0,2,0,0,0,0|1,0,0]=3 2418 B12R1.1703 CNC(=O)c1ccc(cc1Cl)I 240690a_100102657272_100000751301 [0,2,0,0,0,0|1,0,0]=3 2419 B12R1.1703 CNC(=O)c1ccc(cc1Cl)I 527a_100102657272_100000751301 [0,2,0,0,0,0|1,0,0]=3 2420 B12R1.1703 CNC(=O)c1ccc(cc1Cl)O 240690a_100102657272_100000702456 [0,2,0,0,0,0|1,0,0]=3 2421 B12R1.1703 CNC(=O)c1ccc(cc1Cl)O 527a_100102657272_100000702456 [0,2,0,0,0,0|1,0,0]=3 2422 B12R1.1703 CNC(=O)c1ccc(cc1F)Br 11a_106832991635_100000214689 [0,2,0,0,0,0|1,0,0]=3 2423 B12R1.1703 CNC(=O)c1ccc(cc1F)Br 1626a_100102657272_100000214689 [0,2,0,0,0,0|1,0,0]=3 2424 B12R1.1703 CNC(=O)c1ccc(cc1F)Br 240690a_100102657272_100000214689 [0,2,0,0,0,0|1,0,0]=3 2425 B12R1.1703 CNC(=O)c1ccc(cc1F)Br 527a_100102657272_100000214689 [0,2,0,0,0,0|1,0,0]=3 2426 B12R1.1703 CNC(=O)c1ccc(cc1F)C 11a_106832991635_100000766033 [0,2,0,0,0,0|1,0,0]=3 2427 B12R1.1703 CNC(=O)c1ccc(cc1F)C 1626a_100102657272_100000766033 [0,2,0,0,0,0|1,0,0]=3 2428 B12R1.1703 CNC(=O)c1ccc(cc1F)C 240690a_100102657272_100000766033 [0,2,0,0,0,0|1,0,0]=3 2429 B12R1.1703 CNC(=O)c1ccc(cc1F)C 527a_100102657272_100000766033 [0,2,0,0,0,0|1,0,0]=3 2430 B12R1.1703 CNC(=O)c1ccc(cc1F)Cl 11a_106832991635_100000212326 [0,2,0,0,0,0|1,0,0]=3 2431 B12R1.1703 CNC(=O)c1ccc(cc1F)Cl 1626a_100102657272_100000212326 [0,2,0,0,0,0|1,0,0]=3 2432 B12R1.1703 CNC(=O)c1ccc(cc1F)Cl 240690a_100102657272_100000212326 [0,2,0,0,0,0|1,0,0]=3 2433 B12R1.1703 CNC(=O)c1ccc(cc1F)Cl 527a_100102657272_100000212326 [0,2,0,0,0,0|1,0,0]=3 2434 B12R1.1703 CNC(=O)c1ccc(cc1F)F 11a_106832991635_100000211022 [0,2,0,0,0,0|1,0,0]=3 2435 B12R1.1703 CNC(=O)c1ccc(cc1F)F 1626a_100102657272_100000211022 [0,2,0,0,0,0|1,0,0]=3 2436 B12R1.1703 CNC(=O)c1ccc(cc1F)F 240690a_100102657272_100000211022 [0,2,0,0,0,0|1,0,0]=3 2437 B12R1.1703 CNC(=O)c1ccc(cc1F)F 527a_100102657272_100000211022 [0,2,0,0,0,0|1,0,0]=3 2438 B12R1.1703 CNC(=O)c1ccc(cc1F)I 11a_106832991635_100000037189 [0,2,0,0,0,0|1,0,0]=3 2439 B12R1.1703 CNC(=O)c1ccc(cc1F)I 1626a_100102657272_100000037189 [0,2,0,0,0,0|1,0,0]=3 2440 B12R1.1703 CNC(=O)c1ccc(cc1F)I 240690a_100102657272_100000037189 [0,2,0,0,0,0|1,0,0]=3 2441 B12R1.1703 CNC(=O)c1ccc(cc1F)I 527a_100102657272_100000037189 [0,2,0,0,0,0|1,0,0]=3 2442 B12R1.1703 CNC(=O)c1ccc(cc1F)O 240690a_100102657272_100000689029 [0,2,0,0,0,0|1,0,0]=3 2443 B12R1.1703 CNC(=O)c1ccc(cc1F)O 271570a_203496583355_100000233932 [0,2,0,0,0,0|1,0,0]=3 2444 B12R1.1703 CNC(=O)c1ccc(cc1F)O 527a_100102657272_100000689029 [0,2,0,0,0,0|1,0,0]=3 2445 B12R1.1703 CNC(=O)c1ccc(cc1I)Br 11a_106832991635_100000751167 [0,2,0,0,0,0|1,0,0]=3 2446 B12R1.1703 CNC(=O)c1ccc(cc1I)Br 1626a_100102657272_100000751167 [0,2,0,0,0,0|1,0,0]=3 2447 B12R1.1703 CNC(=O)c1ccc(cc1I)Br 240690a_100102657272_100000751167 [0,2,0,0,0,0|1,0,0]=3 2448 B12R1.1703 CNC(=O)c1ccc(cc1I)Br 527a_100102657272_100000751167 [0,2,0,0,0,0|1,0,0]=3 2449 B12R1.1703 CNC(=O)c1ccc(cc1I)C 11a_106832991635_100009999607 [0,2,0,0,0,0|1,0,0]=3 2450 B12R1.1703 CNC(=O)c1ccc(cc1I)C 1626a_100102657272_100009999607 [0,2,0,0,0,0|1,0,0]=3 2451 B12R1.1703 CNC(=O)c1ccc(cc1I)C 240690a_100102657272_100009999607 [0,2,0,0,0,0|1,0,0]=3 2452 B12R1.1703 CNC(=O)c1ccc(cc1I)C 527a_100102657272_100009999607 [0,2,0,0,0,0|1,0,0]=3 2453 B12R1.1703 CNC(=O)c1ccc(cc1I)Cl 11a_106832991635_100000739380 [0,2,0,0,0,0|1,0,0]=3 2454 B12R1.1703 CNC(=O)c1ccc(cc1I)Cl 1626a_100102657272_100000739380 [0,2,0,0,0,0|1,0,0]=3 2455 B12R1.1703 CNC(=O)c1ccc(cc1I)Cl 240690a_100102657272_100000739380 [0,2,0,0,0,0|1,0,0]=3 2456 B12R1.1703 CNC(=O)c1ccc(cc1I)Cl 527a_100102657272_100000739380 [0,2,0,0,0,0|1,0,0]=3 2457 B12R1.1703 CNC(=O)c1ccc(cc1I)F 11a_106832991635_100000739341 [0,2,0,0,0,0|1,0,0]=3 2458 B12R1.1703 CNC(=O)c1ccc(cc1I)F 1626a_100102657272_100000739341 [0,2,0,0,0,0|1,0,0]=3 2459 B12R1.1703 CNC(=O)c1ccc(cc1I)F 240690a_100102657272_100000739341 [0,2,0,0,0,0|1,0,0]=3 2460 B12R1.1703 CNC(=O)c1ccc(cc1I)F 527a_100102657272_100000739341 [0,2,0,0,0,0|1,0,0]=3 2461 B12R1.1703 CNC(=O)c1ccc(cc1O)Br 240690a_100102657272_100000744433 [0,2,0,0,0,0|1,0,0]=3 2462 B12R1.1703 CNC(=O)c1ccc(cc1O)Br 527a_100102657272_100000744433 [0,2,0,0,0,0|1,0,0]=3 2463 B12R1.1703 CNC(=O)c1ccc(cc1O)C 1626a_100102657272_100000212137 [0,2,0,0,0,0|1,0,0]=3 2464 B12R1.1703 CNC(=O)c1ccc(cc1O)C 240690a_100102657272_100000212137 [0,2,0,0,0,0|1,0,0]=3 2465 B12R1.1703 CNC(=O)c1ccc(cc1O)C 527a_100102657272_100000212137 [0,2,0,0,0,0|1,0,0]=3 2466 B12R1.1703 CNC(=O)c1ccc(cc1O)Cl 11a_106832991635_100000188622 [0,2,0,0,0,0|1,0,0]=3 2467 B12R1.1703 CNC(=O)c1ccc(cc1O)Cl 240690a_100102657272_100000188622 [0,2,0,0,0,0|1,0,0]=3 2468 B12R1.1703 CNC(=O)c1ccc(cc1O)Cl 527a_100102657272_100000188622 [0,2,0,0,0,0|1,0,0]=3 2469 B12R1.1703 CNC(=O)c1ccc(cc1O)F 240690a_100102657272_100000746061 [0,2,0,0,0,0|1,0,0]=3 2470 B12R1.1703 CNC(=O)c1ccc(cc1O)F 271570a_203496583355_200000206206 [0,2,0,0,0,0|1,0,0]=3 2471 B12R1.1703 CNC(=O)c1ccc(cc1O)F 527a_100102657272_100000746061 [0,2,0,0,0,0|1,0,0]=3 2472 B12R1.1703 CNC(=O)c1ccc(cc1O)I 240690a_100102657272_100000091984 [0,2,0,0,0,0|1,0,0]=3 2473 B12R1.1703 CNC(=O)c1ccc(cc1O)I 527a_100102657272_100000091984 [0,2,0,0,0,0|1,0,0]=3 2474 B12R1.1703 COC(=O)c1ccc(cc1Br)O 271570a_203496583355_100010247156 [0,2,0,0,0,0|2,0,0]=4 2475 B12R1.1703 COC(=O)c1ccc(cc1C)O 271570a_203496583355_100000747612 [0,2,0,0,0,0|2,0,0]=4 2476 B12R1.1703 COC(=O)c1ccc(cc1Cl)O 271570a_203496583355_100000060724 [0,2,0,0,0,0|2,0,0]=4 2477 B12R1.1703 COC(=O)c1ccc(cc1F)O 271570a_203496583355_100000216654 [0,2,0,0,0,0|2,0,0]=4 2478 B12R1.1703 COC(=O)c1ccc(cc1N)O 271570a_203496583355_100011373473 [0,2,0,0,0,0|2,0,0]=4 2479 B12R1.1703 COC(=O)c1ccc(cc1O)Br 271570a_203496583355_100000701758 [0,2,0,0,0,0|2,0,0]=4 2480 B12R1.1703 COC(=O)c1ccc(cc1O)C 271570a_203496583355_100012340597 [0,2,0,0,0,0|2,0,0]=4 2481 B12R1.1703 COC(=O)c1ccc(cc1O)Cl 271570a_203496583355_100000047510 [0,2,0,0,0,0|2,0,0]=4 2482 B12R1.1703 COC(=O)c1ccc(cc1O)F 271570a_203496583355_100000204356 [0,2,0,0,0,0|2,0,0]=4 2483 B12R1.1703 COC(=O)c1ccc(cc1O)N 271570a_203496583355_100009998378 [0,2,0,0,0,0|2,0,0]=4 2484 B12R1.1703 COC(=O)c1ccc(cc1O)O 271570a_203496583355_100000062286 [0,2,0,0,0,0|2,0,0]=4 2485 B12R1.1703 COC(=O)c1ccc(cc1O)O 271570a_203496583355_100010150825 [0,2,0,0,0,0|2,0,0]=4 2486 B12R1.1703 Cc1cc(ccc1C(=O)CF)Br 1458a_100000741311_100015361967 [0,2,0,0,0,0|2,0,0]=4 2487 B12R1.1703 Cc1cc(ccc1C(=O)CF)Cl 1458a_100000688705_100015361967 [0,2,0,0,0,0|2,0,0]=4 2488 B12R1.1703 Cc1cc(ccc1C(=O)CF)F 1458a_100000686989_100015361967 [0,2,0,0,0,0|2,0,0]=4 2489 B12R1.1703 Cc1cc(ccc1C(=O)CF)I 1458a_100010189873_100015361967 [0,2,0,0,0,0|2,0,0]=4 2490 B12R1.1703 Cc1cc(ccc1C(=O)CF)O 1458a_100000692822_100015361967 [0,2,0,0,0,0|2,0,0]=4 2491 B12R1.1703 Cc1ccc(c(c1)Br)C(=O)CF 1458a_100000685072_100015361967 [0,2,0,0,0,0|2,0,0]=4 2492 B12R1.1703 Cc1ccc(c(c1)C)C(=O)CF 1458a_100000211164_100015361967 [0,2,0,0,0,0|2,0,0]=4 2493 B12R1.1703 Cc1ccc(c(c1)Cl)C(=O)CF 1458a_100000766932_100015361967 [0,2,0,0,0,0|2,0,0]=4 2494 B12R1.1703 Cc1ccc(c(c1)F)C(=O)CF 1458a_100000766033_100015361967 [0,2,0,0,0,0|2,0,0]=4 2495 B12R1.1703 Cc1ccc(c(c1)I)C(=O)CF 1458a_100009999607_100015361967 [0,2,0,0,0,0|2,0,0]=4 2496 B12R1.1703 Cc1ccc(c(c1)O)C(=O)CF 1458a_100000212137_100015361967 [0,2,0,0,0,0|2,0,0]=4 2497 B12R1.1703 Cc1ccc(c(c1)O)C(=O)NN 271570a_203496583355_200012340525 [0,2,0,0,0,0|1,0,0]=3 2498 B12R1.1703 NNC(=O)c1ccc(cc1O)F 271570a_203496583355_100000203923 [0,2,0,0,0,0|1,0,0]=3 2499 B12R1.1703 O=C(CF)c1ccc(cc1Br)Br 1458a_100000762965_100015361967 [0,2,0,0,0,0|2,0,0]=4 2500 B12R1.1703 O=C(CF)c1ccc(cc1Br)Cl 1458a_100000766353_100015361967 [0,2,0,0,0,0|2,0,0]=4 2501 B12R1.1703 O=C(CF)c1ccc(cc1Br)F 1458a_100000212304_100015361967 [0,2,0,0,0,0|2,0,0]=4 2502 B12R1.1703 O=C(CF)c1ccc(cc1Br)I 1458a_100012360512_100015361967 [0,2,0,0,0,0|2,0,0]=4 2503 B12R1.1703 O=C(CF)c1ccc(cc1Br)O 1458a_100012344906_100015361967 [0,2,0,0,0,0|2,0,0]=4 2504 B12R1.1703 O=C(CF)c1ccc(cc1Cl)Br 1458a_100000741628_100015361967 [0,2,0,0,0,0|2,0,0]=4 2505 B12R1.1703 O=C(CF)c1ccc(cc1Cl)Cl 1458a_100000185840_100015361967 [0,2,0,0,0,0|2,0,0]=4 2506 B12R1.1703 O=C(CF)c1ccc(cc1Cl)F 1458a_100000211397_100015361967 [0,2,0,0,0,0|2,0,0]=4 2507 B12R1.1703 O=C(CF)c1ccc(cc1Cl)I 1458a_100000751301_100015361967 [0,2,0,0,0,0|2,0,0]=4 2508 B12R1.1703 O=C(CF)c1ccc(cc1Cl)O 1458a_100000702456_100015361967 [0,2,0,0,0,0|2,0,0]=4 2509 B12R1.1703 O=C(CF)c1ccc(cc1F)Br 1458a_100000214689_100015361967 [0,2,0,0,0,0|2,0,0]=4 2510 B12R1.1703 O=C(CF)c1ccc(cc1F)Cl 1458a_100000212326_100015361967 [0,2,0,0,0,0|2,0,0]=4 2511 B12R1.1703 O=C(CF)c1ccc(cc1F)F 1458a_100000211022_100015361967 [0,2,0,0,0,0|2,0,0]=4 2512 B12R1.1703 O=C(CF)c1ccc(cc1F)I 1458a_100000037189_100015361967 [0,2,0,0,0,0|2,0,0]=4 2513 B12R1.1703 O=C(CF)c1ccc(cc1F)O 1458a_100000689029_100015361967 [0,2,0,0,0,0|2,0,0]=4 2514 B12R1.1703 O=C(CF)c1ccc(cc1I)Br 1458a_100000751167_100015361967 [0,2,0,0,0,0|2,0,0]=4 2515 B12R1.1703 O=C(CF)c1ccc(cc1I)Cl 1458a_100000739380_100015361967 [0,2,0,0,0,0|2,0,0]=4 2516 B12R1.1703 O=C(CF)c1ccc(cc1I)F 1458a_100000739341_100015361967 [0,2,0,0,0,0|2,0,0]=4 2517 B12R1.1703 O=C(CF)c1ccc(cc1O)Br 1458a_100000744433_100015361967 [0,2,0,0,0,0|2,0,0]=4 2518 B12R1.1703 O=C(CF)c1ccc(cc1O)Cl 1458a_100000188622_100015361967 [0,2,0,0,0,0|2,0,0]=4 2519 B12R1.1703 O=C(CF)c1ccc(cc1O)F 1458a_100000746061_100015361967 [0,2,0,0,0,0|2,0,0]=4 2520 B12R1.1703 O=C(CF)c1ccc(cc1O)I 1458a_100000091984_100015361967 [0,2,0,0,0,0|2,0,0]=4 2521 B12R1.1703 O=C(CF)c1ccc(cc1O)O 1458a_100000212172_100015361967 [0,2,0,0,0,0|2,0,0]=4 2522 B12R1.24 CCC(=O)c1cccc(c1Br)Br 1458a_100012360534_100000210202 [0,2,0,0,0,0|2,0,0]=4 2523 B12R1.24 CCC(=O)c1cccc(c1Br)C 1458a_100000692419_100000210202 [0,2,0,0,0,0|2,0,0]=4 2524 B12R1.24 CCC(=O)c1cccc(c1Br)Cl 1458a_100012339722_100000210202 [0,2,0,0,0,0|2,0,0]=4 2525 B12R1.24 CCC(=O)c1cccc(c1Br)F 1458a_100011217547_100000210202 [0,2,0,0,0,0|2,0,0]=4 2526 B12R1.24 CCC(=O)c1cccc(c1Br)I 1458a_100010232522_100000210202 [0,2,0,0,0,0|2,0,0]=4 2527 B12R1.24 CCC(=O)c1cccc(c1Br)O 1458a_100010230362_100000210202 [0,2,0,0,0,0|2,0,0]=4 2528 B12R1.24 CCC(=O)c1cccc(c1C)Br 1458a_100000760464_100000210202 [0,2,0,0,0,0|2,0,0]=4 2529 B12R1.24 CCC(=O)c1cccc(c1C)C 1458a_100000183679_100000210202 [0,2,0,0,0,0|2,0,0]=4 2530 B12R1.24 CCC(=O)c1cccc(c1C)Cl 1458a_100000690184_100000210202 [0,2,0,0,0,0|2,0,0]=4 2531 B12R1.24 CCC(=O)c1cccc(c1C)F 1458a_100011218272_100000210202 [0,2,0,0,0,0|2,0,0]=4 2532 B12R1.24 CCC(=O)c1cccc(c1C)I 1458a_100000751865_100000210202 [0,2,0,0,0,0|2,0,0]=4 2533 B12R1.24 CCC(=O)c1cccc(c1C)O 1458a_100000766327_100000210202 [0,2,0,0,0,0|2,0,0]=4 2534 B12R1.24 CCC(=O)c1cccc(c1Cl)Br 1458a_100000760540_100000210202 [0,2,0,0,0,0|2,0,0]=4 2535 B12R1.24 CCC(=O)c1cccc(c1Cl)C 1458a_100000693142_100000210202 [0,2,0,0,0,0|2,0,0]=4 2536 B12R1.24 CCC(=O)c1cccc(c1Cl)Cl 1458a_100000183631_100000210202 [0,2,0,0,0,0|2,0,0]=4 2537 B12R1.24 CCC(=O)c1cccc(c1Cl)F 1458a_100000759904_100000210202 [0,2,0,0,0,0|2,0,0]=4 2538 B12R1.24 CCC(=O)c1cccc(c1Cl)I 1458a_100010176783_100000210202 [0,2,0,0,0,0|2,0,0]=4 2539 B12R1.24 CCC(=O)c1cccc(c1Cl)O 1458a_100000092362_100000210202 [0,2,0,0,0,0|2,0,0]=4 2540 B12R1.24 CCC(=O)c1cccc(c1F)Br 1458a_100000756403_100000210202 [0,2,0,0,0,0|2,0,0]=4 2541 B12R1.24 CCC(=O)c1cccc(c1F)C 1458a_100000766181_100000210202 [0,2,0,0,0,0|2,0,0]=4 2542 B12R1.24 CCC(=O)c1cccc(c1F)Cl 1458a_100000688816_100000210202 [0,2,0,0,0,0|2,0,0]=4 2543 B12R1.24 CCC(=O)c1cccc(c1F)F 1458a_100000748134_100000210202 [0,2,0,0,0,0|2,0,0]=4 2544 B12R1.24 CCC(=O)c1cccc(c1F)I 1458a_100010185205_100000210202 [0,2,0,0,0,0|2,0,0]=4 2545 B12R1.24 CCC(=O)c1cccc(c1F)O 1458a_100000037433_100000210202 [0,2,0,0,0,0|2,0,0]=4 2546 B12R1.24 CCC(=O)c1cccc(c1I)Br 1458a_100000688019_100000210202 [0,2,0,0,0,0|2,0,0]=4 2547 B12R1.24 CCC(=O)c1cccc(c1I)C 1458a_100000739377_100000210202 [0,2,0,0,0,0|2,0,0]=4 2548 B12R1.24 CCC(=O)c1cccc(c1I)Cl 1458a_100010176784_100000210202 [0,2,0,0,0,0|2,0,0]=4 2549 B12R1.24 CCC(=O)c1cccc(c1I)F 1458a_100000690930_100000210202 [0,2,0,0,0,0|2,0,0]=4 2550 B12R1.24 CCC(=O)c1cccc(c1I)O 1458a_100010084636_100000210202 [0,2,0,0,0,0|2,0,0]=4 2551 B12R1.24 CCC(=O)c1cccc(c1O)Br 1458a_100000752940_100000210202 [0,2,0,0,0,0|2,0,0]=4 2552 B12R1.24 CCC(=O)c1cccc(c1O)C 1458a_100000183896_100000210202 [0,2,0,0,0,0|2,0,0]=4 2553 B12R1.24 CCC(=O)c1cccc(c1O)Cl 1458a_100000742801_100000210202 [0,2,0,0,0,0|2,0,0]=4 2554 B12R1.24 CCC(=O)c1cccc(c1O)F 1458a_100011217230_100000210202 [0,2,0,0,0,0|2,0,0]=4 2555 B12R1.24 CCC(=O)c1cccc(c1O)O 1458a_100000690420_100000210202 [0,2,0,0,0,0|2,0,0]=4 2556 B12R1.24 CNC(=O)c1cccc(c1Br)Br 11a_106832991635_100012360534 [0,2,0,0,0,0|1,0,0]=3 2557 B12R1.24 CNC(=O)c1cccc(c1Br)Br 1626a_100102657272_100012360534 [0,2,0,0,0,0|1,0,0]=3 2558 B12R1.24 CNC(=O)c1cccc(c1Br)Br 240690a_100102657272_100012360534 [0,2,0,0,0,0|1,0,0]=3 2559 B12R1.24 CNC(=O)c1cccc(c1Br)Br 527a_100102657272_100012360534 [0,2,0,0,0,0|1,0,0]=3 2560 B12R1.24 CNC(=O)c1cccc(c1Br)C 11a_106832991635_100000692419 [0,2,0,0,0,0|1,0,0]=3 2561 B12R1.24 CNC(=O)c1cccc(c1Br)C 1626a_100102657272_100000692419 [0,2,0,0,0,0|1,0,0]=3 2562 B12R1.24 CNC(=O)c1cccc(c1Br)C 240690a_100102657272_100000692419 [0,2,0,0,0,0|1,0,0]=3 2563 B12R1.24 CNC(=O)c1cccc(c1Br)C 527a_100102657272_100000692419 [0,2,0,0,0,0|1,0,0]=3 2564 B12R1.24 CNC(=O)c1cccc(c1Br)Cl 11a_106832991635_100012339722 [0,2,0,0,0,0|1,0,0]=3 2565 B12R1.24 CNC(=O)c1cccc(c1Br)Cl 1626a_100102657272_100012339722 [0,2,0,0,0,0|1,0,0]=3 2566 B12R1.24 CNC(=O)c1cccc(c1Br)Cl 240690a_100102657272_100012339722 [0,2,0,0,0,0|1,0,0]=3 2567 B12R1.24 CNC(=O)c1cccc(c1Br)Cl 527a_100102657272_100012339722 [0,2,0,0,0,0|1,0,0]=3 2568 B12R1.24 CNC(=O)c1cccc(c1Br)F 11a_106832991635_100011217547 [0,2,0,0,0,0|1,0,0]=3 2569 B12R1.24 CNC(=O)c1cccc(c1Br)F 1626a_100102657272_100011217547 [0,2,0,0,0,0|1,0,0]=3 2570 B12R1.24 CNC(=O)c1cccc(c1Br)F 240690a_100102657272_100011217547 [0,2,0,0,0,0|1,0,0]=3 2571 B12R1.24 CNC(=O)c1cccc(c1Br)F 527a_100102657272_100011217547 [0,2,0,0,0,0|1,0,0]=3 2572 B12R1.24 CNC(=O)c1cccc(c1Br)I 11a_106832991635_100010232522 [0,2,0,0,0,0|1,0,0]=3 2573 B12R1.24 CNC(=O)c1cccc(c1Br)I 1626a_100102657272_100010232522 [0,2,0,0,0,0|1,0,0]=3 2574 B12R1.24 CNC(=O)c1cccc(c1Br)I 240690a_100102657272_100010232522 [0,2,0,0,0,0|1,0,0]=3 2575 B12R1.24 CNC(=O)c1cccc(c1Br)I 527a_100102657272_100010232522 [0,2,0,0,0,0|1,0,0]=3 2576 B12R1.24 CNC(=O)c1cccc(c1Br)O 240690a_100102657272_100010230362 [0,2,0,0,0,0|1,0,0]=3 2577 B12R1.24 CNC(=O)c1cccc(c1Br)O 527a_100102657272_100010230362 [0,2,0,0,0,0|1,0,0]=3 2578 B12R1.24 CNC(=O)c1cccc(c1C)Br 11a_106832991635_100000760464 [0,2,0,0,0,0|1,0,0]=3 2579 B12R1.24 CNC(=O)c1cccc(c1C)Br 1626a_100102657272_100000760464 [0,2,0,0,0,0|1,0,0]=3 2580 B12R1.24 CNC(=O)c1cccc(c1C)Br 240690a_100102657272_100000760464 [0,2,0,0,0,0|1,0,0]=3 2581 B12R1.24 CNC(=O)c1cccc(c1C)Br 527a_100102657272_100000760464 [0,2,0,0,0,0|1,0,0]=3 2582 B12R1.24 CNC(=O)c1cccc(c1C)C 11a_106832991635_100000183679 [0,2,0,0,0,0|1,0,0]=3 2583 B12R1.24 CNC(=O)c1cccc(c1C)C 1626a_100102657272_100000183679 [0,2,0,0,0,0|1,0,0]=3 2584 B12R1.24 CNC(=O)c1cccc(c1C)C 240690a_100102657272_100000183679 [0,2,0,0,0,0|1,0,0]=3 2585 B12R1.24 CNC(=O)c1cccc(c1C)C 527a_100102657272_100000183679 [0,2,0,0,0,0|1,0,0]=3 2586 B12R1.24 CNC(=O)c1cccc(c1C)Cl 11a_106832991635_100000690184 [0,2,0,0,0,0|1,0,0]=3 2587 B12R1.24 CNC(=O)c1cccc(c1C)Cl 1626a_100102657272_100000690184 [0,2,0,0,0,0|1,0,0]=3 2588 B12R1.24 CNC(=O)c1cccc(c1C)Cl 240690a_100102657272_100000690184 [0,2,0,0,0,0|1,0,0]=3 2589 B12R1.24 CNC(=O)c1cccc(c1C)Cl 527a_100102657272_100000690184 [0,2,0,0,0,0|1,0,0]=3 2590 B12R1.24 CNC(=O)c1cccc(c1C)F 11a_106832991635_100011218272 [0,2,0,0,0,0|1,0,0]=3 2591 B12R1.24 CNC(=O)c1cccc(c1C)F 1626a_100102657272_100011218272 [0,2,0,0,0,0|1,0,0]=3 2592 B12R1.24 CNC(=O)c1cccc(c1C)F 240690a_100102657272_100011218272 [0,2,0,0,0,0|1,0,0]=3 2593 B12R1.24 CNC(=O)c1cccc(c1C)F 527a_100102657272_100011218272 [0,2,0,0,0,0|1,0,0]=3 2594 B12R1.24 CNC(=O)c1cccc(c1C)I 11a_106832991635_100000751865 [0,2,0,0,0,0|1,0,0]=3 2595 B12R1.24 CNC(=O)c1cccc(c1C)I 1626a_100102657272_100000751865 [0,2,0,0,0,0|1,0,0]=3 2596 B12R1.24 CNC(=O)c1cccc(c1C)I 240690a_100102657272_100000751865 [0,2,0,0,0,0|1,0,0]=3 2597 B12R1.24 CNC(=O)c1cccc(c1C)I 527a_100102657272_100000751865 [0,2,0,0,0,0|1,0,0]=3 2598 B12R1.24 CNC(=O)c1cccc(c1C)O 240690a_100102657272_100000766327 [0,2,0,0,0,0|1,0,0]=3 2599 B12R1.24 CNC(=O)c1cccc(c1C)O 527a_100102657272_100000766327 [0,2,0,0,0,0|1,0,0]=3 2600 B12R1.24 CNC(=O)c1cccc(c1Cl)Br 11a_106832991635_100000760540 [0,2,0,0,0,0|1,0,0]=3 2601 B12R1.24 CNC(=O)c1cccc(c1Cl)Br 1626a_100102657272_100000760540 [0,2,0,0,0,0|1,0,0]=3 2602 B12R1.24 CNC(=O)c1cccc(c1Cl)Br 240690a_100102657272_100000760540 [0,2,0,0,0,0|1,0,0]=3 2603 B12R1.24 CNC(=O)c1cccc(c1Cl)Br 527a_100102657272_100000760540 [0,2,0,0,0,0|1,0,0]=3 2604 B12R1.24 CNC(=O)c1cccc(c1Cl)C 11a_106832991635_100000693142 [0,2,0,0,0,0|1,0,0]=3 2605 B12R1.24 CNC(=O)c1cccc(c1Cl)C 1626a_100102657272_100000693142 [0,2,0,0,0,0|1,0,0]=3 2606 B12R1.24 CNC(=O)c1cccc(c1Cl)C 240690a_100102657272_100000693142 [0,2,0,0,0,0|1,0,0]=3 2607 B12R1.24 CNC(=O)c1cccc(c1Cl)C 527a_100102657272_100000693142 [0,2,0,0,0,0|1,0,0]=3 2608 B12R1.24 CNC(=O)c1cccc(c1Cl)Cl 11a_106832991635_100000183631 [0,2,0,0,0,0|1,0,0]=3 2609 B12R1.24 CNC(=O)c1cccc(c1Cl)Cl 1626a_100102657272_100000183631 [0,2,0,0,0,0|1,0,0]=3 2610 B12R1.24 CNC(=O)c1cccc(c1Cl)Cl 240690a_100102657272_100000183631 [0,2,0,0,0,0|1,0,0]=3 2611 B12R1.24 CNC(=O)c1cccc(c1Cl)Cl 527a_100102657272_100000183631 [0,2,0,0,0,0|1,0,0]=3 2612 B12R1.24 CNC(=O)c1cccc(c1Cl)F 11a_106832991635_100000759904 [0,2,0,0,0,0|1,0,0]=3 2613 B12R1.24 CNC(=O)c1cccc(c1Cl)F 1626a_100102657272_100000759904 [0,2,0,0,0,0|1,0,0]=3 2614 B12R1.24 CNC(=O)c1cccc(c1Cl)F 240690a_100102657272_100000759904 [0,2,0,0,0,0|1,0,0]=3 2615 B12R1.24 CNC(=O)c1cccc(c1Cl)F 527a_100102657272_100000759904 [0,2,0,0,0,0|1,0,0]=3 2616 B12R1.24 CNC(=O)c1cccc(c1Cl)I 11a_106832991635_100010176783 [0,2,0,0,0,0|1,0,0]=3 2617 B12R1.24 CNC(=O)c1cccc(c1Cl)I 1626a_100102657272_100010176783 [0,2,0,0,0,0|1,0,0]=3 2618 B12R1.24 CNC(=O)c1cccc(c1Cl)I 240690a_100102657272_100010176783 [0,2,0,0,0,0|1,0,0]=3 2619 B12R1.24 CNC(=O)c1cccc(c1Cl)I 527a_100102657272_100010176783 [0,2,0,0,0,0|1,0,0]=3 2620 B12R1.24 CNC(=O)c1cccc(c1Cl)O 240690a_100102657272_100000092362 [0,2,0,0,0,0|1,0,0]=3 2621 B12R1.24 CNC(=O)c1cccc(c1Cl)O 527a_100102657272_100000092362 [0,2,0,0,0,0|1,0,0]=3 2622 B12R1.24 CNC(=O)c1cccc(c1F)Br 11a_106832991635_100000756403 [0,2,0,0,0,0|1,0,0]=3 2623 B12R1.24 CNC(=O)c1cccc(c1F)Br 1626a_100102657272_100000756403 [0,2,0,0,0,0|1,0,0]=3 2624 B12R1.24 CNC(=O)c1cccc(c1F)Br 240690a_100102657272_100000756403 [0,2,0,0,0,0|1,0,0]=3 2625 B12R1.24 CNC(=O)c1cccc(c1F)Br 527a_100102657272_100000756403 [0,2,0,0,0,0|1,0,0]=3 2626 B12R1.24 CNC(=O)c1cccc(c1F)C 11a_106832991635_100000766181 [0,2,0,0,0,0|1,0,0]=3 2627 B12R1.24 CNC(=O)c1cccc(c1F)C 1626a_100102657272_100000766181 [0,2,0,0,0,0|1,0,0]=3 2628 B12R1.24 CNC(=O)c1cccc(c1F)C 240690a_100102657272_100000766181 [0,2,0,0,0,0|1,0,0]=3 2629 B12R1.24 CNC(=O)c1cccc(c1F)C 527a_100102657272_100000766181 [0,2,0,0,0,0|1,0,0]=3 2630 B12R1.24 CNC(=O)c1cccc(c1F)Cl 11a_106832991635_100000688816 [0,2,0,0,0,0|1,0,0]=3 2631 B12R1.24 CNC(=O)c1cccc(c1F)Cl 1626a_100102657272_100000688816 [0,2,0,0,0,0|1,0,0]=3 2632 B12R1.24 CNC(=O)c1cccc(c1F)Cl 240690a_100102657272_100000688816 [0,2,0,0,0,0|1,0,0]=3 2633 B12R1.24 CNC(=O)c1cccc(c1F)Cl 527a_100102657272_100000688816 [0,2,0,0,0,0|1,0,0]=3 2634 B12R1.24 CNC(=O)c1cccc(c1F)F 11a_106832991635_100000748134 [0,2,0,0,0,0|1,0,0]=3 2635 B12R1.24 CNC(=O)c1cccc(c1F)F 1626a_100102657272_100000748134 [0,2,0,0,0,0|1,0,0]=3 2636 B12R1.24 CNC(=O)c1cccc(c1F)F 240690a_100102657272_100000748134 [0,2,0,0,0,0|1,0,0]=3 2637 B12R1.24 CNC(=O)c1cccc(c1F)F 527a_100102657272_100000748134 [0,2,0,0,0,0|1,0,0]=3 2638 B12R1.24 CNC(=O)c1cccc(c1F)I 11a_106832991635_100010185205 [0,2,0,0,0,0|1,0,0]=3 2639 B12R1.24 CNC(=O)c1cccc(c1F)I 1626a_100102657272_100010185205 [0,2,0,0,0,0|1,0,0]=3 2640 B12R1.24 CNC(=O)c1cccc(c1F)I 240690a_100102657272_100010185205 [0,2,0,0,0,0|1,0,0]=3 2641 B12R1.24 CNC(=O)c1cccc(c1F)I 527a_100102657272_100010185205 [0,2,0,0,0,0|1,0,0]=3 2642 B12R1.24 CNC(=O)c1cccc(c1F)O 240690a_100102657272_100000037433 [0,2,0,0,0,0|1,0,0]=3 2643 B12R1.24 CNC(=O)c1cccc(c1F)O 527a_100102657272_100000037433 [0,2,0,0,0,0|1,0,0]=3 2644 B12R1.24 CNC(=O)c1cccc(c1I)Br 11a_106832991635_100000688019 [0,2,0,0,0,0|1,0,0]=3 2645 B12R1.24 CNC(=O)c1cccc(c1I)Br 1626a_100102657272_100000688019 [0,2,0,0,0,0|1,0,0]=3 2646 B12R1.24 CNC(=O)c1cccc(c1I)Br 240690a_100102657272_100000688019 [0,2,0,0,0,0|1,0,0]=3 2647 B12R1.24 CNC(=O)c1cccc(c1I)Br 527a_100102657272_100000688019 [0,2,0,0,0,0|1,0,0]=3 2648 B12R1.24 CNC(=O)c1cccc(c1I)C 11a_106832991635_100000739377 [0,2,0,0,0,0|1,0,0]=3 2649 B12R1.24 CNC(=O)c1cccc(c1I)C 1626a_100102657272_100000739377 [0,2,0,0,0,0|1,0,0]=3 2650 B12R1.24 CNC(=O)c1cccc(c1I)C 240690a_100102657272_100000739377 [0,2,0,0,0,0|1,0,0]=3 2651 B12R1.24 CNC(=O)c1cccc(c1I)C 527a_100102657272_100000739377 [0,2,0,0,0,0|1,0,0]=3 2652 B12R1.24 CNC(=O)c1cccc(c1I)Cl 11a_106832991635_100010176784 [0,2,0,0,0,0|1,0,0]=3 2653 B12R1.24 CNC(=O)c1cccc(c1I)Cl 1626a_100102657272_100010176784 [0,2,0,0,0,0|1,0,0]=3 2654 B12R1.24 CNC(=O)c1cccc(c1I)Cl 240690a_100102657272_100010176784 [0,2,0,0,0,0|1,0,0]=3 2655 B12R1.24 CNC(=O)c1cccc(c1I)Cl 527a_100102657272_100010176784 [0,2,0,0,0,0|1,0,0]=3 2656 B12R1.24 CNC(=O)c1cccc(c1I)F 11a_106832991635_100000690930 [0,2,0,0,0,0|1,0,0]=3 2657 B12R1.24 CNC(=O)c1cccc(c1I)F 1626a_100102657272_100000690930 [0,2,0,0,0,0|1,0,0]=3 2658 B12R1.24 CNC(=O)c1cccc(c1I)F 240690a_100102657272_100000690930 [0,2,0,0,0,0|1,0,0]=3 2659 B12R1.24 CNC(=O)c1cccc(c1I)F 527a_100102657272_100000690930 [0,2,0,0,0,0|1,0,0]=3 2660 B12R1.24 CNC(=O)c1cccc(c1I)O 527a_100102657272_100010084636 [0,2,0,0,0,0|1,0,0]=3 2661 B12R1.24 CNC(=O)c1cccc(c1O)Br 240690a_100102657272_100000752940 [0,2,0,0,0,0|1,0,0]=3 2662 B12R1.24 CNC(=O)c1cccc(c1O)Br 527a_100102657272_100000752940 [0,2,0,0,0,0|1,0,0]=3 2663 B12R1.24 CNC(=O)c1cccc(c1O)C 240690a_100102657272_100000183896 [0,2,0,0,0,0|1,0,0]=3 2664 B12R1.24 CNC(=O)c1cccc(c1O)C 527a_100102657272_100000183896 [0,2,0,0,0,0|1,0,0]=3 2665 B12R1.24 CNC(=O)c1cccc(c1O)Cl 240690a_100102657272_100000742801 [0,2,0,0,0,0|1,0,0]=3 2666 B12R1.24 CNC(=O)c1cccc(c1O)Cl 527a_100102657272_100000742801 [0,2,0,0,0,0|1,0,0]=3 2667 B12R1.24 CNC(=O)c1cccc(c1O)F 240690a_100102657272_100011217230 [0,2,0,0,0,0|1,0,0]=3 2668 B12R1.24 CNC(=O)c1cccc(c1O)F 527a_100102657272_100011217230 [0,2,0,0,0,0|1,0,0]=3 2669 B12R1.24 CNC(=O)c1cccc(c1O)O 527a_100102657272_100000690420 [0,2,0,0,0,0|1,0,0]=3 2670 B12R1.24 COC(=O)c1cccc(c1Br)O 271570a_203496583355_100010240208 [0,2,0,0,0,0|2,0,0]=4 2671 B12R1.24 COC(=O)c1cccc(c1C)O 271570a_203496583355_100012298220 [0,2,0,0,0,0|2,0,0]=4 2672 B12R1.24 COC(=O)c1cccc(c1F)O 271570a_203496583355_100012355674 [0,2,0,0,0,0|2,0,0]=4 2673 B12R1.24 COC(=O)c1cccc(c1N)O 271570a_203496583355_100011356556 [0,2,0,0,0,0|2,0,0]=4 2674 B12R1.24 COC(=O)c1cccc(c1O)Br 271570a_203496583355_100010150843 [0,2,0,0,0,0|2,0,0]=4 2675 B12R1.24 COC(=O)c1cccc(c1O)C 271570a_203496583355_100012002529 [0,2,0,0,0,0|2,0,0]=4 2676 B12R1.24 COC(=O)c1cccc(c1O)F 271570a_203496583355_100012357630 [0,2,0,0,0,0|2,0,0]=4 2677 B12R1.24 COC(=O)c1cccc(c1O)N 271570a_203496583355_100000719424 [0,2,0,0,0,0|2,0,0]=4 2678 B12R1.24 COC(=O)c1cccc(c1O)O 271570a_203496583355_100009816214 [0,2,0,0,0,0|2,0,0]=4 2679 B12R1.24 COC(=O)c1cccc(c1O)O 271570a_203496583355_200010230364 [0,2,0,0,0,0|2,0,0]=4 2680 B12R1.24 Cc1c(cccc1C(=O)CF)Br 1458a_100000760464_100015361967 [0,2,0,0,0,0|2,0,0]=4 2681 B12R1.24 Cc1c(cccc1C(=O)CF)Cl 1458a_100000690184_100015361967 [0,2,0,0,0,0|2,0,0]=4 2682 B12R1.24 Cc1c(cccc1C(=O)CF)F 1458a_100011218272_100015361967 [0,2,0,0,0,0|2,0,0]=4 2683 B12R1.24 Cc1c(cccc1C(=O)CF)I 1458a_100000751865_100015361967 [0,2,0,0,0,0|2,0,0]=4 2684 B12R1.24 Cc1c(cccc1C(=O)CF)O 1458a_100000766327_100015361967 [0,2,0,0,0,0|2,0,0]=4 2685 B12R1.24 Cc1c(cccc1C(=O)NN)O 271570a_203496583355_200012298103 [0,2,0,0,0,0|1,0,0]=3 2686 B12R1.24 Cc1cccc(c1Br)C(=O)CF 1458a_100000692419_100015361967 [0,2,0,0,0,0|2,0,0]=4 2687 B12R1.24 Cc1cccc(c1C)C(=O)CF 1458a_100000183679_100015361967 [0,2,0,0,0,0|2,0,0]=4 2688 B12R1.24 Cc1cccc(c1Cl)C(=O)CF 1458a_100000693142_100015361967 [0,2,0,0,0,0|2,0,0]=4 2689 B12R1.24 Cc1cccc(c1F)C(=O)CF 1458a_100000766181_100015361967 [0,2,0,0,0,0|2,0,0]=4 2690 B12R1.24 Cc1cccc(c1I)C(=O)CF 1458a_100000739377_100015361967 [0,2,0,0,0,0|2,0,0]=4 2691 B12R1.24 Cc1cccc(c1O)C(=O)CF 1458a_100000183896_100015361967 [0,2,0,0,0,0|2,0,0]=4 2692 B12R1.24 O=C(CF)c1cccc(c1Br)Br 1458a_100012360534_100015361967 [0,2,0,0,0,0|2,0,0]=4 2693 B12R1.24 O=C(CF)c1cccc(c1Br)Cl 1458a_100012339722_100015361967 [0,2,0,0,0,0|2,0,0]=4 2694 B12R1.24 O=C(CF)c1cccc(c1Br)F 1458a_100011217547_100015361967 [0,2,0,0,0,0|2,0,0]=4 2695 B12R1.24 O=C(CF)c1cccc(c1Br)I 1458a_100010232522_100015361967 [0,2,0,0,0,0|2,0,0]=4 2696 B12R1.24 O=C(CF)c1cccc(c1Br)O 1458a_100010230362_100015361967 [0,2,0,0,0,0|2,0,0]=4 2697 B12R1.24 O=C(CF)c1cccc(c1Cl)Br 1458a_100000760540_100015361967 [0,2,0,0,0,0|2,0,0]=4 2698 B12R1.24 O=C(CF)c1cccc(c1Cl)Cl 1458a_100000183631_100015361967 [0,2,0,0,0,0|2,0,0]=4 2699 B12R1.24 O=C(CF)c1cccc(c1Cl)F 1458a_100000759904_100015361967 [0,2,0,0,0,0|2,0,0]=4 2700 B12R1.24 O=C(CF)c1cccc(c1Cl)I 1458a_100010176783_100015361967 [0,2,0,0,0,0|2,0,0]=4 2701 B12R1.24 O=C(CF)c1cccc(c1Cl)O 1458a_100000092362_100015361967 [0,2,0,0,0,0|2,0,0]=4 2702 B12R1.24 O=C(CF)c1cccc(c1F)Br 1458a_100000756403_100015361967 [0,2,0,0,0,0|2,0,0]=4 2703 B12R1.24 O=C(CF)c1cccc(c1F)Cl 1458a_100000688816_100015361967 [0,2,0,0,0,0|2,0,0]=4 2704 B12R1.24 O=C(CF)c1cccc(c1F)F 1458a_100000748134_100015361967 [0,2,0,0,0,0|2,0,0]=4 2705 B12R1.24 O=C(CF)c1cccc(c1F)I 1458a_100010185205_100015361967 [0,2,0,0,0,0|2,0,0]=4 2706 B12R1.24 O=C(CF)c1cccc(c1F)O 1458a_100000037433_100015361967 [0,2,0,0,0,0|2,0,0]=4 2707 B12R1.24 O=C(CF)c1cccc(c1I)Br 1458a_100000688019_100015361967 [0,2,0,0,0,0|2,0,0]=4 2708 B12R1.24 O=C(CF)c1cccc(c1I)Cl 1458a_100010176784_100015361967 [0,2,0,0,0,0|2,0,0]=4 2709 B12R1.24 O=C(CF)c1cccc(c1I)F 1458a_100000690930_100015361967 [0,2,0,0,0,0|2,0,0]=4 2710 B12R1.24 O=C(CF)c1cccc(c1I)O 1458a_100010084636_100015361967 [0,2,0,0,0,0|2,0,0]=4 2711 B12R1.24 O=C(CF)c1cccc(c1O)Br 1458a_100000752940_100015361967 [0,2,0,0,0,0|2,0,0]=4 2712 B12R1.24 O=C(CF)c1cccc(c1O)Cl 1458a_100000742801_100015361967 [0,2,0,0,0,0|2,0,0]=4 2713 B12R1.24 O=C(CF)c1cccc(c1O)F 1458a_100011217230_100015361967 [0,2,0,0,0,0|2,0,0]=4 2714 B12R1.24 O=C(CF)c1cccc(c1O)O 1458a_100000690420_100015361967 [0,2,0,0,0,0|2,0,0]=4 2715 B12R1.225 CC(C)C(=O)c1cccc(c1)Br 1458a_100000210664_100000210206 [0,2,0,0,0,0|2,0,0]=4 2716 B12R1.225 CC(C)C(=O)c1cccc(c1)Cl 1458a_100000210390_100000210206 [0,2,0,0,0,0|2,0,0]=4 2717 B12R1.225 CC(C)C(=O)c1cccc(c1)F 1458a_100000210950_100000210206 [0,2,0,0,0,0|2,0,0]=4 2718 B12R1.225 CC(C)C(=O)c1cccc(c1)I 1458a_100000184098_100000210206 [0,2,0,0,0,0|2,0,0]=4 2719 B12R1.225 CC(C)C(=O)c1cccc(c1)O 1458a_100000183914_100000210206 [0,2,0,0,0,0|2,0,0]=4 2720 B12R1.225 CC(C)C(=O)c1cccc(c1)O 271570a_203496583355_100011350656 [0,2,0,0,0,0|2,0,0]=4 2721 B12R1.225 CN(C)C(=O)c1cc(ccn1)O 271570a_203496583355_200000198538 [0,2,0,0,0,0|2,0,0]=4 2722 B12R1.225 CN(C)C(=O)c1cccc(c1)Br 11a_100102631434_100000210664 [0,2,0,0,0,0|1,0,0]=3 2723 B12R1.225 CN(C)C(=O)c1cccc(c1)Br 1626a_100102631434_100000210664 [0,2,0,0,0,0|1,0,0]=3 2724 B12R1.225 CN(C)C(=O)c1cccc(c1)Br 240690a_100102631434_100000210664 [0,2,0,0,0,0|1,0,0]=3 2725 B12R1.225 CN(C)C(=O)c1cccc(c1)Br 527a_100102631434_100000210664 [0,2,0,0,0,0|1,0,0]=3 2726 B12R1.225 CN(C)C(=O)c1cccc(c1)Cl 11a_100102631434_100000210390 [0,2,0,0,0,0|1,0,0]=3 2727 B12R1.225 CN(C)C(=O)c1cccc(c1)Cl 1626a_100102631434_100000210390 [0,2,0,0,0,0|1,0,0]=3 2728 B12R1.225 CN(C)C(=O)c1cccc(c1)Cl 240690a_100102631434_100000210390 [0,2,0,0,0,0|1,0,0]=3 2729 B12R1.225 CN(C)C(=O)c1cccc(c1)Cl 527a_100102631434_100000210390 [0,2,0,0,0,0|1,0,0]=3 2730 B12R1.225 CN(C)C(=O)c1cccc(c1)F 11a_100102631434_100000210950 [0,2,0,0,0,0|1,0,0]=3 2731 B12R1.225 CN(C)C(=O)c1cccc(c1)F 1626a_100102631434_100000210950 [0,2,0,0,0,0|1,0,0]=3 2732 B12R1.225 CN(C)C(=O)c1cccc(c1)F 240690a_100102631434_100000210950 [0,2,0,0,0,0|1,0,0]=3 2733 B12R1.225 CN(C)C(=O)c1cccc(c1)F 527a_100102631434_100000210950 [0,2,0,0,0,0|1,0,0]=3 2734 B12R1.225 CN(C)C(=O)c1cccc(c1)I 11a_100102631434_100000184098 [0,2,0,0,0,0|1,0,0]=3 2735 B12R1.225 CN(C)C(=O)c1cccc(c1)I 1626a_100102631434_100000184098 [0,2,0,0,0,0|1,0,0]=3 2736 B12R1.225 CN(C)C(=O)c1cccc(c1)I 240690a_100102631434_100000184098 [0,2,0,0,0,0|1,0,0]=3 2737 B12R1.225 CN(C)C(=O)c1cccc(c1)I 527a_100102631434_100000184098 [0,2,0,0,0,0|1,0,0]=3 2738 B12R1.225 CN(C)C(=O)c1cccc(c1)O 240690a_100102631434_100000183914 [0,2,0,0,0,0|1,0,0]=3 2739 B12R1.225 CN(C)C(=O)c1cccc(c1)O 271570a_203496583355_100000159571 [0,2,0,0,0,0|1,0,0]=3 2740 B12R1.225 CN(C)C(=O)c1cccc(c1)O 527a_100102631434_100000183914 [0,2,0,0,0,0|1,0,0]=3 2741 B12R1.225 CN(C)C(=O)c1ccnc(c1)O 271570a_203496583355_100000229821 [0,2,0,0,0,0|2,0,0]=4 2742 B12R1.225 CN(C)C(=O)c1cncc(c1)O 271570a_203496583355_200000159598 [0,2,0,0,0,0|2,0,0]=4 2743 B12R1.225 Cc1cccc(c1)C(=O)C(C)C 1458a_100000189346_100000210206 [0,2,0,0,0,0|2,0,0]=4 2744 B12R1.225 Cc1cccc(c1)C(=O)N(C)C 11a_100102631434_100000189346 [0,2,0,0,0,0|1,0,0]=3 2745 B12R1.225 Cc1cccc(c1)C(=O)N(C)C 1626a_100102631434_100000189346 [0,2,0,0,0,0|1,0,0]=3 2746 B12R1.225 Cc1cccc(c1)C(=O)N(C)C 240690a_100102631434_100000189346 [0,2,0,0,0,0|1,0,0]=3 2747 B12R1.225 Cc1cccc(c1)C(=O)N(C)C 527a_100102631434_100000189346 [0,2,0,0,0,0|1,0,0]=3 2748 B12R1.354 CCC(=O)c1cc(ccc1Br)Br 1458a_100000690610_100000210202 [0,2,0,0,0,0|2,0,0]=4 2749 B12R1.354 CCC(=O)c1cc(ccc1Br)C 1458a_100000689033_100000210202 [0,2,0,0,0,0|2,0,0]=4 2750 B12R1.354 CCC(=O)c1cc(ccc1Br)Cl 1458a_100000736951_100000210202 [0,2,0,0,0,0|2,0,0]=4 2751 B12R1.354 CCC(=O)c1cc(ccc1Br)F 1458a_100000212315_100000210202 [0,2,0,0,0,0|2,0,0]=4 2752 B12R1.354 CCC(=O)c1cc(ccc1Br)I 1458a_100000698340_100000210202 [0,2,0,0,0,0|2,0,0]=4 2753 B12R1.354 CCC(=O)c1cc(ccc1Br)O 1458a_100012352043_100000210202 [0,2,0,0,0,0|2,0,0]=4 2754 B12R1.354 CCC(=O)c1cc(ccc1C)Br 1458a_100000759961_100000210202 [0,2,0,0,0,0|2,0,0]=4 2755 B12R1.354 CCC(=O)c1cc(ccc1C)C 1458a_100000195421_100000210202 [0,2,0,0,0,0|2,0,0]=4 2756 B12R1.354 CCC(=O)c1cc(ccc1C)Cl 1458a_100000692595_100000210202 [0,2,0,0,0,0|2,0,0]=4 2757 B12R1.354 CCC(=O)c1cc(ccc1C)F 1458a_100000240043_100000210202 [0,2,0,0,0,0|2,0,0]=4 2758 B12R1.354 CCC(=O)c1cc(ccc1C)I 1458a_100000688012_100000210202 [0,2,0,0,0,0|2,0,0]=4 2759 B12R1.354 CCC(=O)c1cc(ccc1C)O 1458a_100000687834_100000210202 [0,2,0,0,0,0|2,0,0]=4 2760 B12R1.354 CCC(=O)c1cc(ccc1Cl)Br 1458a_100000211212_100000210202 [0,2,0,0,0,0|2,0,0]=4 2761 B12R1.354 CCC(=O)c1cc(ccc1Cl)C 1458a_100011290873_100000210202 [0,2,0,0,0,0|2,0,0]=4 2762 B12R1.354 CCC(=O)c1cc(ccc1Cl)Cl 1458a_100000210642_100000210202 [0,2,0,0,0,0|2,0,0]=4 2763 B12R1.354 CCC(=O)c1cc(ccc1Cl)F 1458a_100011219680_100000210202 [0,2,0,0,0,0|2,0,0]=4 2764 B12R1.354 CCC(=O)c1cc(ccc1Cl)I 1458a_100000688013_100000210202 [0,2,0,0,0,0|2,0,0]=4 2765 B12R1.354 CCC(=O)c1cc(ccc1Cl)O 1458a_100000719527_100000210202 [0,2,0,0,0,0|2,0,0]=4 2766 B12R1.354 CCC(=O)c1cc(ccc1F)Br 1458a_100000212322_100000210202 [0,2,0,0,0,0|2,0,0]=4 2767 B12R1.354 CCC(=O)c1cc(ccc1F)C 1458a_100000749327_100000210202 [0,2,0,0,0,0|2,0,0]=4 2768 B12R1.354 CCC(=O)c1cc(ccc1F)Cl 1458a_100000214954_100000210202 [0,2,0,0,0,0|2,0,0]=4 2769 B12R1.354 CCC(=O)c1cc(ccc1F)F 1458a_100000198512_100000210202 [0,2,0,0,0,0|2,0,0]=4 2770 B12R1.354 CCC(=O)c1cc(ccc1F)I 1458a_100000688014_100000210202 [0,2,0,0,0,0|2,0,0]=4 2771 B12R1.354 CCC(=O)c1cc(ccc1F)O 1458a_100000037260_100000210202 [0,2,0,0,0,0|2,0,0]=4 2772 B12R1.354 CCC(=O)c1cc(ccc1I)Br 1458a_100000183945_100000210202 [0,2,0,0,0,0|2,0,0]=4 2773 B12R1.354 CCC(=O)c1cc(ccc1I)C 1458a_100000057929_100000210202 [0,2,0,0,0,0|2,0,0]=4 2774 B12R1.354 CCC(=O)c1cc(ccc1I)Cl 1458a_100000739379_100000210202 [0,2,0,0,0,0|2,0,0]=4 2775 B12R1.354 CCC(=O)c1cc(ccc1I)F 1458a_100000748905_100000210202 [0,2,0,0,0,0|2,0,0]=4 2776 B12R1.354 CCC(=O)c1cc(ccc1I)I 1458a_100000750460_100000210202 [0,2,0,0,0,0|2,0,0]=4 2777 B12R1.354 CCC(=O)c1cc(ccc1I)O 1458a_200009995701_100000210202 [0,2,0,0,0,0|2,0,0]=4 2778 B12R1.354 CCC(=O)c1cc(ccc1O)Br 1458a_100000212140_100000210202 [0,2,0,0,0,0|2,0,0]=4 2779 B12R1.354 CCC(=O)c1cc(ccc1O)C 1458a_100000229998_100000210202 [0,2,0,0,0,0|2,0,0]=4 2780 B12R1.354 CCC(=O)c1cc(ccc1O)Cl 1458a_100000212143_100000210202 [0,2,0,0,0,0|2,0,0]=4 2781 B12R1.354 CCC(=O)c1cc(ccc1O)F 1458a_100000742286_100000210202 [0,2,0,0,0,0|2,0,0]=4 2782 B12R1.354 CCC(=O)c1cc(ccc1O)I 1458a_100000212111_100000210202 [0,2,0,0,0,0|2,0,0]=4 2783 B12R1.354 CCC(=O)c1cc(ccc1O)O 1458a_100000758025_100000210202 [0,2,0,0,0,0|2,0,0]=4 2784 B12R1.354 CCC(=O)c1cc(ccc1O)O 271570a_203496583355_100000183607 [0,2,0,0,0,0|2,0,0]=4 2785 B12R1.354 CNC(=O)c1cc(ccc1Br)Br 11a_106832991635_100000690610 [0,2,0,0,0,0|1,0,0]=3 2786 B12R1.354 CNC(=O)c1cc(ccc1Br)Br 1626a_100102657272_100000690610 [0,2,0,0,0,0|1,0,0]=3 2787 B12R1.354 CNC(=O)c1cc(ccc1Br)Br 240690a_100102657272_100000690610 [0,2,0,0,0,0|1,0,0]=3 2788 B12R1.354 CNC(=O)c1cc(ccc1Br)Br 527a_100102657272_100000690610 [0,2,0,0,0,0|1,0,0]=3 2789 B12R1.354 CNC(=O)c1cc(ccc1Br)C 11a_106832991635_100000689033 [0,2,0,0,0,0|1,0,0]=3 2790 B12R1.354 CNC(=O)c1cc(ccc1Br)C 1626a_100102657272_100000689033 [0,2,0,0,0,0|1,0,0]=3 2791 B12R1.354 CNC(=O)c1cc(ccc1Br)C 240690a_100102657272_100000689033 [0,2,0,0,0,0|1,0,0]=3 2792 B12R1.354 CNC(=O)c1cc(ccc1Br)C 527a_100102657272_100000689033 [0,2,0,0,0,0|1,0,0]=3 2793 B12R1.354 CNC(=O)c1cc(ccc1Br)Cl 11a_106832991635_100000736951 [0,2,0,0,0,0|1,0,0]=3 2794 B12R1.354 CNC(=O)c1cc(ccc1Br)Cl 1626a_100102657272_100000736951 [0,2,0,0,0,0|1,0,0]=3 2795 B12R1.354 CNC(=O)c1cc(ccc1Br)Cl 240690a_100102657272_100000736951 [0,2,0,0,0,0|1,0,0]=3 2796 B12R1.354 CNC(=O)c1cc(ccc1Br)Cl 527a_100102657272_100000736951 [0,2,0,0,0,0|1,0,0]=3 2797 B12R1.354 CNC(=O)c1cc(ccc1Br)F 11a_106832991635_100000212315 [0,2,0,0,0,0|1,0,0]=3 2798 B12R1.354 CNC(=O)c1cc(ccc1Br)F 1626a_100102657272_100000212315 [0,2,0,0,0,0|1,0,0]=3 2799 B12R1.354 CNC(=O)c1cc(ccc1Br)F 240690a_100102657272_100000212315 [0,2,0,0,0,0|1,0,0]=3 2800 B12R1.354 CNC(=O)c1cc(ccc1Br)F 527a_100102657272_100000212315 [0,2,0,0,0,0|1,0,0]=3 2801 B12R1.354 CNC(=O)c1cc(ccc1Br)I 11a_106832991635_100000698340 [0,2,0,0,0,0|1,0,0]=3 2802 B12R1.354 CNC(=O)c1cc(ccc1Br)I 1626a_100102657272_100000698340 [0,2,0,0,0,0|1,0,0]=3 2803 B12R1.354 CNC(=O)c1cc(ccc1Br)I 240690a_100102657272_100000698340 [0,2,0,0,0,0|1,0,0]=3 2804 B12R1.354 CNC(=O)c1cc(ccc1Br)I 527a_100102657272_100000698340 [0,2,0,0,0,0|1,0,0]=3 2805 B12R1.354 CNC(=O)c1cc(ccc1Br)O 240690a_100102657272_100012352043 [0,2,0,0,0,0|1,0,0]=3 2806 B12R1.354 CNC(=O)c1cc(ccc1Br)O 527a_100102657272_100012352043 [0,2,0,0,0,0|1,0,0]=3 2807 B12R1.354 CNC(=O)c1cc(ccc1C)Br 11a_106832991635_100000759961 [0,2,0,0,0,0|1,0,0]=3 2808 B12R1.354 CNC(=O)c1cc(ccc1C)Br 1626a_100102657272_100000759961 [0,2,0,0,0,0|1,0,0]=3 2809 B12R1.354 CNC(=O)c1cc(ccc1C)Br 240690a_100102657272_100000759961 [0,2,0,0,0,0|1,0,0]=3 2810 B12R1.354 CNC(=O)c1cc(ccc1C)Br 527a_100102657272_100000759961 [0,2,0,0,0,0|1,0,0]=3 2811 B12R1.354 CNC(=O)c1cc(ccc1C)C 11a_106832991635_100000195421 [0,2,0,0,0,0|1,0,0]=3 2812 B12R1.354 CNC(=O)c1cc(ccc1C)C 1626a_100102657272_100000195421 [0,2,0,0,0,0|1,0,0]=3 2813 B12R1.354 CNC(=O)c1cc(ccc1C)C 240690a_100102657272_100000195421 [0,2,0,0,0,0|1,0,0]=3 2814 B12R1.354 CNC(=O)c1cc(ccc1C)C 527a_100102657272_100000195421 [0,2,0,0,0,0|1,0,0]=3 2815 B12R1.354 CNC(=O)c1cc(ccc1C)Cl 11a_106832991635_100000692595 [0,2,0,0,0,0|1,0,0]=3 2816 B12R1.354 CNC(=O)c1cc(ccc1C)Cl 1626a_100102657272_100000692595 [0,2,0,0,0,0|1,0,0]=3 2817 B12R1.354 CNC(=O)c1cc(ccc1C)Cl 240690a_100102657272_100000692595 [0,2,0,0,0,0|1,0,0]=3 2818 B12R1.354 CNC(=O)c1cc(ccc1C)Cl 527a_100102657272_100000692595 [0,2,0,0,0,0|1,0,0]=3 2819 B12R1.354 CNC(=O)c1cc(ccc1C)F 11a_106832991635_100000240043 [0,2,0,0,0,0|1,0,0]=3 2820 B12R1.354 CNC(=O)c1cc(ccc1C)F 1626a_100102657272_100000240043 [0,2,0,0,0,0|1,0,0]=3 2821 B12R1.354 CNC(=O)c1cc(ccc1C)F 240690a_100102657272_100000240043 [0,2,0,0,0,0|1,0,0]=3 2822 B12R1.354 CNC(=O)c1cc(ccc1C)F 527a_100102657272_100000240043 [0,2,0,0,0,0|1,0,0]=3 2823 B12R1.354 CNC(=O)c1cc(ccc1C)I 11a_106832991635_100000688012 [0,2,0,0,0,0|1,0,0]=3 2824 B12R1.354 CNC(=O)c1cc(ccc1C)I 1626a_100102657272_100000688012 [0,2,0,0,0,0|1,0,0]=3 2825 B12R1.354 CNC(=O)c1cc(ccc1C)I 240690a_100102657272_100000688012 [0,2,0,0,0,0|1,0,0]=3 2826 B12R1.354 CNC(=O)c1cc(ccc1C)I 527a_100102657272_100000688012 [0,2,0,0,0,0|1,0,0]=3 2827 B12R1.354 CNC(=O)c1cc(ccc1C)O 240690a_100102657272_100000687834 [0,2,0,0,0,0|1,0,0]=3 2828 B12R1.354 CNC(=O)c1cc(ccc1Cl)Br 11a_106832991635_100000211212 [0,2,0,0,0,0|1,0,0]=3 2829 B12R1.354 CNC(=O)c1cc(ccc1Cl)Br 1626a_100102657272_100000211212 [0,2,0,0,0,0|1,0,0]=3 2830 B12R1.354 CNC(=O)c1cc(ccc1Cl)Br 240690a_100102657272_100000211212 [0,2,0,0,0,0|1,0,0]=3 2831 B12R1.354 CNC(=O)c1cc(ccc1Cl)Br 527a_100102657272_100000211212 [0,2,0,0,0,0|1,0,0]=3 2832 B12R1.354 CNC(=O)c1cc(ccc1Cl)C 11a_106832991635_100011290873 [0,2,0,0,0,0|1,0,0]=3 2833 B12R1.354 CNC(=O)c1cc(ccc1Cl)C 1626a_100102657272_100011290873 [0,2,0,0,0,0|1,0,0]=3 2834 B12R1.354 CNC(=O)c1cc(ccc1Cl)C 240690a_100102657272_100011290873 [0,2,0,0,0,0|1,0,0]=3 2835 B12R1.354 CNC(=O)c1cc(ccc1Cl)C 527a_100102657272_100011290873 [0,2,0,0,0,0|1,0,0]=3 2836 B12R1.354 CNC(=O)c1cc(ccc1Cl)Cl 11a_106832991635_100000210642 [0,2,0,0,0,0|1,0,0]=3 2837 B12R1.354 CNC(=O)c1cc(ccc1Cl)Cl 1626a_100102657272_100000210642 [0,2,0,0,0,0|1,0,0]=3 2838 B12R1.354 CNC(=O)c1cc(ccc1Cl)Cl 240690a_100102657272_100000210642 [0,2,0,0,0,0|1,0,0]=3 2839 B12R1.354 CNC(=O)c1cc(ccc1Cl)Cl 527a_100102657272_100000210642 [0,2,0,0,0,0|1,0,0]=3 2840 B12R1.354 CNC(=O)c1cc(ccc1Cl)F 11a_106832991635_100011219680 [0,2,0,0,0,0|1,0,0]=3 2841 B12R1.354 CNC(=O)c1cc(ccc1Cl)F 1626a_100102657272_100011219680 [0,2,0,0,0,0|1,0,0]=3 2842 B12R1.354 CNC(=O)c1cc(ccc1Cl)F 240690a_100102657272_100011219680 [0,2,0,0,0,0|1,0,0]=3 2843 B12R1.354 CNC(=O)c1cc(ccc1Cl)F 527a_100102657272_100011219680 [0,2,0,0,0,0|1,0,0]=3 2844 B12R1.354 CNC(=O)c1cc(ccc1Cl)I 11a_106832991635_100000688013 [0,2,0,0,0,0|1,0,0]=3 2845 B12R1.354 CNC(=O)c1cc(ccc1Cl)I 1626a_100102657272_100000688013 [0,2,0,0,0,0|1,0,0]=3 2846 B12R1.354 CNC(=O)c1cc(ccc1Cl)I 240690a_100102657272_100000688013 [0,2,0,0,0,0|1,0,0]=3 2847 B12R1.354 CNC(=O)c1cc(ccc1Cl)I 527a_100102657272_100000688013 [0,2,0,0,0,0|1,0,0]=3 2848 B12R1.354 CNC(=O)c1cc(ccc1Cl)O 240690a_100102657272_100000719527 [0,2,0,0,0,0|1,0,0]=3 2849 B12R1.354 CNC(=O)c1cc(ccc1Cl)O 527a_100102657272_100000719527 [0,2,0,0,0,0|1,0,0]=3 2850 B12R1.354 CNC(=O)c1cc(ccc1F)Br 11a_106832991635_100000212322 [0,2,0,0,0,0|1,0,0]=3 2851 B12R1.354 CNC(=O)c1cc(ccc1F)Br 1626a_100102657272_100000212322 [0,2,0,0,0,0|1,0,0]=3 2852 B12R1.354 CNC(=O)c1cc(ccc1F)Br 240690a_100102657272_100000212322 [0,2,0,0,0,0|1,0,0]=3 2853 B12R1.354 CNC(=O)c1cc(ccc1F)Br 527a_100102657272_100000212322 [0,2,0,0,0,0|1,0,0]=3 2854 B12R1.354 CNC(=O)c1cc(ccc1F)C 11a_106832991635_100000749327 [0,2,0,0,0,0|1,0,0]=3 2855 B12R1.354 CNC(=O)c1cc(ccc1F)C 1626a_100102657272_100000749327 [0,2,0,0,0,0|1,0,0]=3 2856 B12R1.354 CNC(=O)c1cc(ccc1F)C 240690a_100102657272_100000749327 [0,2,0,0,0,0|1,0,0]=3 2857 B12R1.354 CNC(=O)c1cc(ccc1F)C 527a_100102657272_100000749327 [0,2,0,0,0,0|1,0,0]=3 2858 B12R1.354 CNC(=O)c1cc(ccc1F)Cl 11a_106832991635_100000214954 [0,2,0,0,0,0|1,0,0]=3 2859 B12R1.354 CNC(=O)c1cc(ccc1F)Cl 1626a_100102657272_100000214954 [0,2,0,0,0,0|1,0,0]=3 2860 B12R1.354 CNC(=O)c1cc(ccc1F)Cl 240690a_100102657272_100000214954 [0,2,0,0,0,0|1,0,0]=3 2861 B12R1.354 CNC(=O)c1cc(ccc1F)Cl 527a_100102657272_100000214954 [0,2,0,0,0,0|1,0,0]=3 2862 B12R1.354 CNC(=O)c1cc(ccc1F)F 11a_106832991635_100000198512 [0,2,0,0,0,0|1,0,0]=3 2863 B12R1.354 CNC(=O)c1cc(ccc1F)F 1626a_100102657272_100000198512 [0,2,0,0,0,0|1,0,0]=3 2864 B12R1.354 CNC(=O)c1cc(ccc1F)F 240690a_100102657272_100000198512 [0,2,0,0,0,0|1,0,0]=3 2865 B12R1.354 CNC(=O)c1cc(ccc1F)F 527a_100102657272_100000198512 [0,2,0,0,0,0|1,0,0]=3 2866 B12R1.354 CNC(=O)c1cc(ccc1F)I 11a_106832991635_100000688014 [0,2,0,0,0,0|1,0,0]=3 2867 B12R1.354 CNC(=O)c1cc(ccc1F)I 1626a_100102657272_100000688014 [0,2,0,0,0,0|1,0,0]=3 2868 B12R1.354 CNC(=O)c1cc(ccc1F)I 240690a_100102657272_100000688014 [0,2,0,0,0,0|1,0,0]=3 2869 B12R1.354 CNC(=O)c1cc(ccc1F)I 527a_100102657272_100000688014 [0,2,0,0,0,0|1,0,0]=3 2870 B12R1.354 CNC(=O)c1cc(ccc1F)O 240690a_100102657272_100000037260 [0,2,0,0,0,0|1,0,0]=3 2871 B12R1.354 CNC(=O)c1cc(ccc1F)O 271570a_203496583355_100000155058 [0,2,0,0,0,0|1,0,0]=3 2872 B12R1.354 CNC(=O)c1cc(ccc1F)O 527a_100102657272_100000037260 [0,2,0,0,0,0|1,0,0]=3 2873 B12R1.354 CNC(=O)c1cc(ccc1I)Br 11a_106832991635_100000183945 [0,2,0,0,0,0|1,0,0]=3 2874 B12R1.354 CNC(=O)c1cc(ccc1I)Br 1626a_100102657272_100000183945 [0,2,0,0,0,0|1,0,0]=3 2875 B12R1.354 CNC(=O)c1cc(ccc1I)Br 240690a_100102657272_100000183945 [0,2,0,0,0,0|1,0,0]=3 2876 B12R1.354 CNC(=O)c1cc(ccc1I)C 11a_106832991635_100000057929 [0,2,0,0,0,0|1,0,0]=3 2877 B12R1.354 CNC(=O)c1cc(ccc1I)C 1626a_100102657272_100000057929 [0,2,0,0,0,0|1,0,0]=3 2878 B12R1.354 CNC(=O)c1cc(ccc1I)C 240690a_100102657272_100000057929 [0,2,0,0,0,0|1,0,0]=3 2879 B12R1.354 CNC(=O)c1cc(ccc1I)C 527a_100102657272_100000057929 [0,2,0,0,0,0|1,0,0]=3 2880 B12R1.354 CNC(=O)c1cc(ccc1I)Cl 11a_106832991635_100000739379 [0,2,0,0,0,0|1,0,0]=3 2881 B12R1.354 CNC(=O)c1cc(ccc1I)Cl 1626a_100102657272_100000739379 [0,2,0,0,0,0|1,0,0]=3 2882 B12R1.354 CNC(=O)c1cc(ccc1I)Cl 240690a_100102657272_100000739379 [0,2,0,0,0,0|1,0,0]=3 2883 B12R1.354 CNC(=O)c1cc(ccc1I)Cl 527a_100102657272_100000739379 [0,2,0,0,0,0|1,0,0]=3 2884 B12R1.354 CNC(=O)c1cc(ccc1I)F 11a_106832991635_100000748905 [0,2,0,0,0,0|1,0,0]=3 2885 B12R1.354 CNC(=O)c1cc(ccc1I)F 1626a_100102657272_100000748905 [0,2,0,0,0,0|1,0,0]=3 2886 B12R1.354 CNC(=O)c1cc(ccc1I)F 240690a_100102657272_100000748905 [0,2,0,0,0,0|1,0,0]=3 2887 B12R1.354 CNC(=O)c1cc(ccc1I)F 527a_100102657272_100000748905 [0,2,0,0,0,0|1,0,0]=3 2888 B12R1.354 CNC(=O)c1cc(ccc1I)I 11a_106832991635_100000750460 [0,2,0,0,0,0|1,0,0]=3 2889 B12R1.354 CNC(=O)c1cc(ccc1I)I 1626a_100102657272_100000750460 [0,2,0,0,0,0|1,0,0]=3 2890 B12R1.354 CNC(=O)c1cc(ccc1I)I 240690a_100102657272_100000750460 [0,2,0,0,0,0|1,0,0]=3 2891 B12R1.354 CNC(=O)c1cc(ccc1I)I 527a_100102657272_100000750460 [0,2,0,0,0,0|1,0,0]=3 2892 B12R1.354 CNC(=O)c1cc(ccc1I)O 1626a_100102657272_200009995701 [0,2,0,0,0,0|1,0,0]=3 2893 B12R1.354 CNC(=O)c1cc(ccc1I)O 240690a_100102657272_200009995701 [0,2,0,0,0,0|1,0,0]=3 2894 B12R1.354 CNC(=O)c1cc(ccc1I)O 527a_100102657272_200009995701 [0,2,0,0,0,0|1,0,0]=3 2895 B12R1.354 CNC(=O)c1cc(ccc1N)O 271570a_203496583355_100000690504 [0,2,0,0,0,0|1,0,0]=3 2896 B12R1.354 CNC(=O)c1cc(ccc1O)Br 1626a_100102657272_100000212140 [0,2,0,0,0,0|1,0,0]=3 2897 B12R1.354 CNC(=O)c1cc(ccc1O)Br 240690a_100102657272_100000212140 [0,2,0,0,0,0|1,0,0]=3 2898 B12R1.354 CNC(=O)c1cc(ccc1O)Br 527a_100102657272_100000212140 [0,2,0,0,0,0|1,0,0]=3 2899 B12R1.354 CNC(=O)c1cc(ccc1O)C 240690a_100102657272_100000229998 [0,2,0,0,0,0|1,0,0]=3 2900 B12R1.354 CNC(=O)c1cc(ccc1O)C 527a_100102657272_100000229998 [0,2,0,0,0,0|1,0,0]=3 2901 B12R1.354 CNC(=O)c1cc(ccc1O)Cl 11a_106832991635_100000212143 [0,2,0,0,0,0|1,0,0]=3 2902 B12R1.354 CNC(=O)c1cc(ccc1O)Cl 1626a_100102657272_100000212143 [0,2,0,0,0,0|1,0,0]=3 2903 B12R1.354 CNC(=O)c1cc(ccc1O)Cl 240690a_100102657272_100000212143 [0,2,0,0,0,0|1,0,0]=3 2904 B12R1.354 CNC(=O)c1cc(ccc1O)Cl 271570a_203496583355_200011279454 [0,2,0,0,0,0|1,0,0]=3 2905 B12R1.354 CNC(=O)c1cc(ccc1O)Cl 527a_100102657272_100000212143 [0,2,0,0,0,0|1,0,0]=3 2906 B12R1.354 CNC(=O)c1cc(ccc1O)F 240690a_100102657272_100000742286 [0,2,0,0,0,0|1,0,0]=3 2907 B12R1.354 CNC(=O)c1cc(ccc1O)F 271570a_203496583355_200000206232 [0,2,0,0,0,0|1,0,0]=3 2908 B12R1.354 CNC(=O)c1cc(ccc1O)F 527a_100102657272_100000742286 [0,2,0,0,0,0|1,0,0]=3 2909 B12R1.354 CNC(=O)c1cc(ccc1O)I 240690a_100102657272_100000212111 [0,2,0,0,0,0|1,0,0]=3 2910 B12R1.354 CNC(=O)c1cc(ccc1O)I 527a_100102657272_100000212111 [0,2,0,0,0,0|1,0,0]=3 2911 B12R1.354 COC(=O)c1cc(ccc1Br)O 271570a_203496583355_100012340073 [0,2,0,0,0,0|2,0,0]=4 2912 B12R1.354 COC(=O)c1cc(ccc1C)O 271570a_203496583355_100012360116 [0,2,0,0,0,0|2,0,0]=4 2913 B12R1.354 COC(=O)c1cc(ccc1Cl)O 271570a_203496583355_100012353682 [0,2,0,0,0,0|2,0,0]=4 2914 B12R1.354 COC(=O)c1cc(ccc1F)O 271570a_203496583355_100000154357 [0,2,0,0,0,0|2,0,0]=4 2915 B12R1.354 COC(=O)c1cc(ccc1N)O 271570a_203496583355_100000212070 [0,2,0,0,0,0|2,0,0]=4 2916 B12R1.354 COC(=O)c1cc(ccc1O)Br 271570a_203496583355_100000148213 [0,2,0,0,0,0|2,0,0]=4 2917 B12R1.354 COC(=O)c1cc(ccc1O)C 271570a_203496583355_100012339458 [0,2,0,0,0,0|2,0,0]=4 2918 B12R1.354 COC(=O)c1cc(ccc1O)Cl 271570a_203496583355_100011294804 [0,2,0,0,0,0|2,0,0]=4 2919 B12R1.354 COC(=O)c1cc(ccc1O)F 271570a_203496583355_100000205820 [0,2,0,0,0,0|2,0,0]=4 2920 B12R1.354 COC(=O)c1cc(ccc1O)N 271570a_203496583355_100000696289 [0,2,0,0,0,0|2,0,0]=4 2921 B12R1.354 COC(=O)c1cc(ccc1O)O 271570a_203496583355_100000149868 [0,2,0,0,0,0|2,0,0]=4 2922 B12R1.354 COC(=O)c1cc(ccc1O)O 271570a_203496583355_100010230369 [0,2,0,0,0,0|2,0,0]=4 2923 B12R1.354 Cc1ccc(c(c1)C(=O)CF)Br 1458a_100000689033_100015361967 [0,2,0,0,0,0|2,0,0]=4 2924 B12R1.354 Cc1ccc(c(c1)C(=O)CF)C 1458a_100000195421_100015361967 [0,2,0,0,0,0|2,0,0]=4 2925 B12R1.354 Cc1ccc(c(c1)C(=O)CF)Cl 1458a_100011290873_100015361967 [0,2,0,0,0,0|2,0,0]=4 2926 B12R1.354 Cc1ccc(c(c1)C(=O)CF)F 1458a_100000749327_100015361967 [0,2,0,0,0,0|2,0,0]=4 2927 B12R1.354 Cc1ccc(c(c1)C(=O)CF)I 1458a_100000057929_100015361967 [0,2,0,0,0,0|2,0,0]=4 2928 B12R1.354 Cc1ccc(c(c1)C(=O)CF)O 1458a_100000229998_100015361967 [0,2,0,0,0,0|2,0,0]=4 2929 B12R1.354 Cc1ccc(cc1C(=O)CF)Br 1458a_100000759961_100015361967 [0,2,0,0,0,0|2,0,0]=4 2930 B12R1.354 Cc1ccc(cc1C(=O)CF)Cl 1458a_100000692595_100015361967 [0,2,0,0,0,0|2,0,0]=4 2931 B12R1.354 Cc1ccc(cc1C(=O)CF)F 1458a_100000240043_100015361967 [0,2,0,0,0,0|2,0,0]=4 2932 B12R1.354 Cc1ccc(cc1C(=O)CF)I 1458a_100000688012_100015361967 [0,2,0,0,0,0|2,0,0]=4 2933 B12R1.354 Cc1ccc(cc1C(=O)CF)O 1458a_100000687834_100015361967 [0,2,0,0,0,0|2,0,0]=4 2934 B12R1.354 NNC(=O)c1cc(ccc1Br)O 271570a_203496583355_200011356971 [0,2,0,0,0,0|1,0,0]=3 2935 B12R1.354 NNC(=O)c1cc(ccc1Cl)O 271570a_203496583355_200000049959 [0,2,0,0,0,0|1,0,0]=3 2936 B12R1.354 NNC(=O)c1cc(ccc1O)F 271570a_203496583355_100000205862 [0,2,0,0,0,0|1,0,0]=3 2937 B12R1.354 NNC(=O)c1cc(ccc1O)O 271570a_203496583355_100000193350 [0,2,0,0,0,0|1,0,0]=3 2938 B12R1.354 O=C(CF)c1cc(ccc1Br)Br 1458a_100000690610_100015361967 [0,2,0,0,0,0|2,0,0]=4 2939 B12R1.354 O=C(CF)c1cc(ccc1Br)Cl 1458a_100000736951_100015361967 [0,2,0,0,0,0|2,0,0]=4 2940 B12R1.354 O=C(CF)c1cc(ccc1Br)F 1458a_100000212315_100015361967 [0,2,0,0,0,0|2,0,0]=4 2941 B12R1.354 O=C(CF)c1cc(ccc1Br)I 1458a_100000698340_100015361967 [0,2,0,0,0,0|2,0,0]=4 2942 B12R1.354 O=C(CF)c1cc(ccc1Br)O 1458a_100012352043_100015361967 [0,2,0,0,0,0|2,0,0]=4 2943 B12R1.354 O=C(CF)c1cc(ccc1Cl)Br 1458a_100000211212_100015361967 [0,2,0,0,0,0|2,0,0]=4 2944 B12R1.354 O=C(CF)c1cc(ccc1Cl)Cl 1458a_100000210642_100015361967 [0,2,0,0,0,0|2,0,0]=4 2945 B12R1.354 O=C(CF)c1cc(ccc1Cl)F 1458a_100011219680_100015361967 [0,2,0,0,0,0|2,0,0]=4 2946 B12R1.354 O=C(CF)c1cc(ccc1Cl)I 1458a_100000688013_100015361967 [0,2,0,0,0,0|2,0,0]=4 2947 B12R1.354 O=C(CF)c1cc(ccc1Cl)O 1458a_100000719527_100015361967 [0,2,0,0,0,0|2,0,0]=4 2948 B12R1.354 O=C(CF)c1cc(ccc1F)Br 1458a_100000212322_100015361967 [0,2,0,0,0,0|2,0,0]=4 2949 B12R1.354 O=C(CF)c1cc(ccc1F)Cl 1458a_100000214954_100015361967 [0,2,0,0,0,0|2,0,0]=4 2950 B12R1.354 O=C(CF)c1cc(ccc1F)F 1458a_100000198512_100015361967 [0,2,0,0,0,0|2,0,0]=4 2951 B12R1.354 O=C(CF)c1cc(ccc1F)I 1458a_100000688014_100015361967 [0,2,0,0,0,0|2,0,0]=4 2952 B12R1.354 O=C(CF)c1cc(ccc1F)O 1458a_100000037260_100015361967 [0,2,0,0,0,0|2,0,0]=4 2953 B12R1.354 O=C(CF)c1cc(ccc1I)Br 1458a_100000183945_100015361967 [0,2,0,0,0,0|2,0,0]=4 2954 B12R1.354 O=C(CF)c1cc(ccc1I)Cl 1458a_100000739379_100015361967 [0,2,0,0,0,0|2,0,0]=4 2955 B12R1.354 O=C(CF)c1cc(ccc1I)F 1458a_100000748905_100015361967 [0,2,0,0,0,0|2,0,0]=4 2956 B12R1.354 O=C(CF)c1cc(ccc1I)I 1458a_100000750460_100015361967 [0,2,0,0,0,0|2,0,0]=4 2957 B12R1.354 O=C(CF)c1cc(ccc1I)O 1458a_200009995701_100015361967 [0,2,0,0,0,0|2,0,0]=4 2958 B12R1.354 O=C(CF)c1cc(ccc1O)Br 1458a_100000212140_100015361967 [0,2,0,0,0,0|2,0,0]=4 2959 B12R1.354 O=C(CF)c1cc(ccc1O)Cl 1458a_100000212143_100015361967 [0,2,0,0,0,0|2,0,0]=4 2960 B12R1.354 O=C(CF)c1cc(ccc1O)F 1458a_100000742286_100015361967 [0,2,0,0,0,0|2,0,0]=4 2961 B12R1.354 O=C(CF)c1cc(ccc1O)I 1458a_100000212111_100015361967 [0,2,0,0,0,0|2,0,0]=4 2962 B12R1.354 O=C(CF)c1cc(ccc1O)O 1458a_100000758025_100015361967 [0,2,0,0,0,0|2,0,0]=4 2963 B12R1.358 CCC(=O)c1cc(cc(c1)Br)Br 1458a_100000687083_100000210202 [0,2,0,0,0,0|2,0,0]=4 2964 B12R1.358 CCC(=O)c1cc(cc(c1)Br)C 1458a_100000760426_100000210202 [0,2,0,0,0,0|2,0,0]=4 2965 B12R1.358 CCC(=O)c1cc(cc(c1)Br)Cl 1458a_100000687899_100000210202 [0,2,0,0,0,0|2,0,0]=4 2966 B12R1.358 CCC(=O)c1cc(cc(c1)Br)F 1458a_100000739618_100000210202 [0,2,0,0,0,0|2,0,0]=4 2967 B12R1.358 CCC(=O)c1cc(cc(c1)Br)O 1458a_100011934545_100000210202 [0,2,0,0,0,0|2,0,0]=4 2968 B12R1.358 CCC(=O)c1cc(cc(c1)C)C 1458a_100000210874_100000210202 [0,2,0,0,0,0|2,0,0]=4 2969 B12R1.358 CCC(=O)c1cc(cc(c1)Cl)C 1458a_100000684526_100000210202 [0,2,0,0,0,0|2,0,0]=4 2970 B12R1.358 CCC(=O)c1cc(cc(c1)Cl)Cl 1458a_100000210701_100000210202 [0,2,0,0,0,0|2,0,0]=4 2971 B12R1.358 CCC(=O)c1cc(cc(c1)Cl)F 1458a_100000685768_100000210202 [0,2,0,0,0,0|2,0,0]=4 2972 B12R1.358 CCC(=O)c1cc(cc(c1)Cl)O 1458a_100011997059_100000210202 [0,2,0,0,0,0|2,0,0]=4 2973 B12R1.358 CCC(=O)c1cc(cc(c1)F)C 1458a_100000763163_100000210202 [0,2,0,0,0,0|2,0,0]=4 2974 B12R1.358 CCC(=O)c1cc(cc(c1)F)F 1458a_100000211655_100000210202 [0,2,0,0,0,0|2,0,0]=4 2975 B12R1.358 CCC(=O)c1cc(cc(c1)F)O 1458a_100012017291_100000210202 [0,2,0,0,0,0|2,0,0]=4 2976 B12R1.358 CCC(=O)c1cc(cc(c1)I)Br 1458a_100000689235_100000210202 [0,2,0,0,0,0|2,0,0]=4 2977 B12R1.358 CCC(=O)c1cc(cc(c1)I)C 1458a_100000729426_100000210202 [0,2,0,0,0,0|2,0,0]=4 2978 B12R1.358 CCC(=O)c1cc(cc(c1)I)Cl 1458a_100012047205_100000210202 [0,2,0,0,0,0|2,0,0]=4 2979 B12R1.358 CCC(=O)c1cc(cc(c1)I)F 1458a_100012047268_100000210202 [0,2,0,0,0,0|2,0,0]=4 2980 B12R1.358 CCC(=O)c1cc(cc(c1)I)I 1458a_100011204819_100000210202 [0,2,0,0,0,0|2,0,0]=4 2981 B12R1.358 CCC(=O)c1cc(cc(c1)O)C 1458a_100000094094_100000210202 [0,2,0,0,0,0|2,0,0]=4 2982 B12R1.358 CNC(=O)c1cc(cc(c1)Br)Br 11a_106832991635_100000687083 [0,2,0,0,0,0|1,0,0]=3 2983 B12R1.358 CNC(=O)c1cc(cc(c1)Br)Br 1626a_100102657272_100000687083 [0,2,0,0,0,0|1,0,0]=3 2984 B12R1.358 CNC(=O)c1cc(cc(c1)Br)Br 240690a_100102657272_100000687083 [0,2,0,0,0,0|1,0,0]=3 2985 B12R1.358 CNC(=O)c1cc(cc(c1)Br)Br 527a_100102657272_100000687083 [0,2,0,0,0,0|1,0,0]=3 2986 B12R1.358 CNC(=O)c1cc(cc(c1)Br)C 11a_106832991635_100000760426 [0,2,0,0,0,0|1,0,0]=3 2987 B12R1.358 CNC(=O)c1cc(cc(c1)Br)C 1626a_100102657272_100000760426 [0,2,0,0,0,0|1,0,0]=3 2988 B12R1.358 CNC(=O)c1cc(cc(c1)Br)C 240690a_100102657272_100000760426 [0,2,0,0,0,0|1,0,0]=3 2989 B12R1.358 CNC(=O)c1cc(cc(c1)Br)C 527a_100102657272_100000760426 [0,2,0,0,0,0|1,0,0]=3 2990 B12R1.358 CNC(=O)c1cc(cc(c1)Br)Cl 11a_106832991635_100000687899 [0,2,0,0,0,0|1,0,0]=3 2991 B12R1.358 CNC(=O)c1cc(cc(c1)Br)Cl 1626a_100102657272_100000687899 [0,2,0,0,0,0|1,0,0]=3 2992 B12R1.358 CNC(=O)c1cc(cc(c1)Br)Cl 240690a_100102657272_100000687899 [0,2,0,0,0,0|1,0,0]=3 2993 B12R1.358 CNC(=O)c1cc(cc(c1)Br)Cl 527a_100102657272_100000687899 [0,2,0,0,0,0|1,0,0]=3 2994 B12R1.358 CNC(=O)c1cc(cc(c1)Br)F 11a_106832991635_100000739618 [0,2,0,0,0,0|1,0,0]=3 2995 B12R1.358 CNC(=O)c1cc(cc(c1)Br)F 1626a_100102657272_100000739618 [0,2,0,0,0,0|1,0,0]=3 2996 B12R1.358 CNC(=O)c1cc(cc(c1)Br)F 240690a_100102657272_100000739618 [0,2,0,0,0,0|1,0,0]=3 2997 B12R1.358 CNC(=O)c1cc(cc(c1)Br)F 527a_100102657272_100000739618 [0,2,0,0,0,0|1,0,0]=3 2998 B12R1.358 CNC(=O)c1cc(cc(c1)Br)O 240690a_100102657272_100011934545 [0,2,0,0,0,0|1,0,0]=3 2999 B12R1.358 CNC(=O)c1cc(cc(c1)Br)O 527a_100102657272_100011934545 [0,2,0,0,0,0|1,0,0]=3 3000 B12R1.358 CNC(=O)c1cc(cc(c1)C)C 11a_106832991635_100000210874 [0,2,0,0,0,0|1,0,0]=3 3001 B12R1.358 CNC(=O)c1cc(cc(c1)C)C 1626a_100102657272_100000210874 [0,2,0,0,0,0|1,0,0]=3 3002 B12R1.358 CNC(=O)c1cc(cc(c1)C)C 240690a_100102657272_100000210874 [0,2,0,0,0,0|1,0,0]=3 3003 B12R1.358 CNC(=O)c1cc(cc(c1)C)C 527a_100102657272_100000210874 [0,2,0,0,0,0|1,0,0]=3 3004 B12R1.358 CNC(=O)c1cc(cc(c1)Cl)C 11a_106832991635_100000684526 [0,2,0,0,0,0|1,0,0]=3 3005 B12R1.358 CNC(=O)c1cc(cc(c1)Cl)C 1626a_100102657272_100000684526 [0,2,0,0,0,0|1,0,0]=3 3006 B12R1.358 CNC(=O)c1cc(cc(c1)Cl)C 240690a_100102657272_100000684526 [0,2,0,0,0,0|1,0,0]=3 3007 B12R1.358 CNC(=O)c1cc(cc(c1)Cl)C 527a_100102657272_100000684526 [0,2,0,0,0,0|1,0,0]=3 3008 B12R1.358 CNC(=O)c1cc(cc(c1)Cl)Cl 11a_106832991635_100000210701 [0,2,0,0,0,0|1,0,0]=3 3009 B12R1.358 CNC(=O)c1cc(cc(c1)Cl)Cl 1626a_100102657272_100000210701 [0,2,0,0,0,0|1,0,0]=3 3010 B12R1.358 CNC(=O)c1cc(cc(c1)Cl)Cl 240690a_100102657272_100000210701 [0,2,0,0,0,0|1,0,0]=3 3011 B12R1.358 CNC(=O)c1cc(cc(c1)Cl)Cl 527a_100102657272_100000210701 [0,2,0,0,0,0|1,0,0]=3 3012 B12R1.358 CNC(=O)c1cc(cc(c1)Cl)F 11a_106832991635_100000685768 [0,2,0,0,0,0|1,0,0]=3 3013 B12R1.358 CNC(=O)c1cc(cc(c1)Cl)F 1626a_100102657272_100000685768 [0,2,0,0,0,0|1,0,0]=3 3014 B12R1.358 CNC(=O)c1cc(cc(c1)Cl)F 240690a_100102657272_100000685768 [0,2,0,0,0,0|1,0,0]=3 3015 B12R1.358 CNC(=O)c1cc(cc(c1)Cl)F 527a_100102657272_100000685768 [0,2,0,0,0,0|1,0,0]=3 3016 B12R1.358 CNC(=O)c1cc(cc(c1)Cl)O 240690a_100102657272_100011997059 [0,2,0,0,0,0|1,0,0]=3 3017 B12R1.358 CNC(=O)c1cc(cc(c1)Cl)O 527a_100102657272_100011997059 [0,2,0,0,0,0|1,0,0]=3 3018 B12R1.358 CNC(=O)c1cc(cc(c1)F)C 11a_106832991635_100000763163 [0,2,0,0,0,0|1,0,0]=3 3019 B12R1.358 CNC(=O)c1cc(cc(c1)F)C 1626a_100102657272_100000763163 [0,2,0,0,0,0|1,0,0]=3 3020 B12R1.358 CNC(=O)c1cc(cc(c1)F)C 240690a_100102657272_100000763163 [0,2,0,0,0,0|1,0,0]=3 3021 B12R1.358 CNC(=O)c1cc(cc(c1)F)C 527a_100102657272_100000763163 [0,2,0,0,0,0|1,0,0]=3 3022 B12R1.358 CNC(=O)c1cc(cc(c1)F)F 11a_106832991635_100000211655 [0,2,0,0,0,0|1,0,0]=3 3023 B12R1.358 CNC(=O)c1cc(cc(c1)F)F 1626a_100102657272_100000211655 [0,2,0,0,0,0|1,0,0]=3 3024 B12R1.358 CNC(=O)c1cc(cc(c1)F)F 240690a_100102657272_100000211655 [0,2,0,0,0,0|1,0,0]=3 3025 B12R1.358 CNC(=O)c1cc(cc(c1)F)F 527a_100102657272_100000211655 [0,2,0,0,0,0|1,0,0]=3 3026 B12R1.358 CNC(=O)c1cc(cc(c1)F)O 11a_106832991635_100012017291 [0,2,0,0,0,0|1,0,0]=3 3027 B12R1.358 CNC(=O)c1cc(cc(c1)F)O 240690a_100102657272_100012017291 [0,2,0,0,0,0|1,0,0]=3 3028 B12R1.358 CNC(=O)c1cc(cc(c1)F)O 271570a_203496583355_200011295653 [0,2,0,0,0,0|1,0,0]=3 3029 B12R1.358 CNC(=O)c1cc(cc(c1)F)O 527a_100102657272_100012017291 [0,2,0,0,0,0|1,0,0]=3 3030 B12R1.358 CNC(=O)c1cc(cc(c1)I)Br 11a_106832991635_100000689235 [0,2,0,0,0,0|1,0,0]=3 3031 B12R1.358 CNC(=O)c1cc(cc(c1)I)Br 1626a_100102657272_100000689235 [0,2,0,0,0,0|1,0,0]=3 3032 B12R1.358 CNC(=O)c1cc(cc(c1)I)Br 240690a_100102657272_100000689235 [0,2,0,0,0,0|1,0,0]=3 3033 B12R1.358 CNC(=O)c1cc(cc(c1)I)Br 527a_100102657272_100000689235 [0,2,0,0,0,0|1,0,0]=3 3034 B12R1.358 CNC(=O)c1cc(cc(c1)I)C 11a_106832991635_100000729426 [0,2,0,0,0,0|1,0,0]=3 3035 B12R1.358 CNC(=O)c1cc(cc(c1)I)C 1626a_100102657272_100000729426 [0,2,0,0,0,0|1,0,0]=3 3036 B12R1.358 CNC(=O)c1cc(cc(c1)I)C 240690a_100102657272_100000729426 [0,2,0,0,0,0|1,0,0]=3 3037 B12R1.358 CNC(=O)c1cc(cc(c1)I)C 527a_100102657272_100000729426 [0,2,0,0,0,0|1,0,0]=3 3038 B12R1.358 CNC(=O)c1cc(cc(c1)I)Cl 11a_106832991635_100012047205 [0,2,0,0,0,0|1,0,0]=3 3039 B12R1.358 CNC(=O)c1cc(cc(c1)I)Cl 1626a_100102657272_100012047205 [0,2,0,0,0,0|1,0,0]=3 3040 B12R1.358 CNC(=O)c1cc(cc(c1)I)Cl 240690a_100102657272_100012047205 [0,2,0,0,0,0|1,0,0]=3 3041 B12R1.358 CNC(=O)c1cc(cc(c1)I)Cl 527a_100102657272_100012047205 [0,2,0,0,0,0|1,0,0]=3 3042 B12R1.358 CNC(=O)c1cc(cc(c1)I)F 11a_106832991635_100012047268 [0,2,0,0,0,0|1,0,0]=3 3043 B12R1.358 CNC(=O)c1cc(cc(c1)I)F 1626a_100102657272_100012047268 [0,2,0,0,0,0|1,0,0]=3 3044 B12R1.358 CNC(=O)c1cc(cc(c1)I)F 240690a_100102657272_100012047268 [0,2,0,0,0,0|1,0,0]=3 3045 B12R1.358 CNC(=O)c1cc(cc(c1)I)F 527a_100102657272_100012047268 [0,2,0,0,0,0|1,0,0]=3 3046 B12R1.358 CNC(=O)c1cc(cc(c1)I)I 11a_106832991635_100011204819 [0,2,0,0,0,0|1,0,0]=3 3047 B12R1.358 CNC(=O)c1cc(cc(c1)I)I 1626a_100102657272_100011204819 [0,2,0,0,0,0|1,0,0]=3 3048 B12R1.358 CNC(=O)c1cc(cc(c1)I)I 240690a_100102657272_100011204819 [0,2,0,0,0,0|1,0,0]=3 3049 B12R1.358 CNC(=O)c1cc(cc(c1)I)I 527a_100102657272_100011204819 [0,2,0,0,0,0|1,0,0]=3 3050 B12R1.358 CNC(=O)c1cc(cc(c1)O)C 240690a_100102657272_100000094094 [0,2,0,0,0,0|1,0,0]=3 3051 B12R1.358 CNC(=O)c1cc(cc(c1)O)C 527a_100102657272_100000094094 [0,2,0,0,0,0|1,0,0]=3 3052 B12R1.358 CNC(=O)c1cc(cc(c1)O)O 240690a_100102657272_100000690292 [0,2,0,0,0,0|1,0,0]=3 3053 B12R1.358 CNC(=O)c1cc(cc(c1)O)O 527a_100102657272_100000690292 [0,2,0,0,0,0|1,0,0]=3 3054 B12R1.358 COC(=O)c1cc(cc(c1)Br)O 271570a_203496583355_100012339729 [0,2,0,0,0,0|2,0,0]=4 3055 B12R1.358 COC(=O)c1cc(cc(c1)Cl)O 271570a_203496583355_100000695173 [0,2,0,0,0,0|2,0,0]=4 3056 B12R1.358 COC(=O)c1cc(cc(c1)F)O 271570a_203496583355_100000698578 [0,2,0,0,0,0|2,0,0]=4 3057 B12R1.358 COC(=O)c1cc(cc(c1)O)C 271570a_203496583355_100012359405 [0,2,0,0,0,0|2,0,0]=4 3058 B12R1.358 COC(=O)c1cc(cc(c1)O)N 271570a_203496583355_100138415615 [0,2,0,0,0,0|2,0,0]=4 3059 B12R1.358 COC(=O)c1cc(cc(c1)O)O 271570a_203496583355_100000696291 [0,2,0,0,0,0|2,0,0]=4 3060 B12R1.358 Cc1cc(cc(c1)C(=O)CF)Br 1458a_100000760426_100015361967 [0,2,0,0,0,0|2,0,0]=4 3061 B12R1.358 Cc1cc(cc(c1)C(=O)CF)C 1458a_100000210874_100015361967 [0,2,0,0,0,0|2,0,0]=4 3062 B12R1.358 Cc1cc(cc(c1)C(=O)CF)Cl 1458a_100000684526_100015361967 [0,2,0,0,0,0|2,0,0]=4 3063 B12R1.358 Cc1cc(cc(c1)C(=O)CF)F 1458a_100000763163_100015361967 [0,2,0,0,0,0|2,0,0]=4 3064 B12R1.358 Cc1cc(cc(c1)C(=O)CF)I 1458a_100000729426_100015361967 [0,2,0,0,0,0|2,0,0]=4 3065 B12R1.358 Cc1cc(cc(c1)C(=O)CF)O 1458a_100000094094_100015361967 [0,2,0,0,0,0|2,0,0]=4 3066 B12R1.358 NNC(=O)c1cc(cc(c1)F)O 271570a_203496583355_100011279999 [0,2,0,0,0,0|1,0,0]=3 3067 B12R1.358 O=C(CF)c1cc(cc(c1)Br)Br 1458a_100000687083_100015361967 [0,2,0,0,0,0|2,0,0]=4 3068 B12R1.358 O=C(CF)c1cc(cc(c1)Br)Cl 1458a_100000687899_100015361967 [0,2,0,0,0,0|2,0,0]=4 3069 B12R1.358 O=C(CF)c1cc(cc(c1)Br)F 1458a_100000739618_100015361967 [0,2,0,0,0,0|2,0,0]=4 3070 B12R1.358 O=C(CF)c1cc(cc(c1)Br)O 1458a_100011934545_100015361967 [0,2,0,0,0,0|2,0,0]=4 3071 B12R1.358 O=C(CF)c1cc(cc(c1)Cl)Cl 1458a_100000210701_100015361967 [0,2,0,0,0,0|2,0,0]=4 3072 B12R1.358 O=C(CF)c1cc(cc(c1)Cl)F 1458a_100000685768_100015361967 [0,2,0,0,0,0|2,0,0]=4 3073 B12R1.358 O=C(CF)c1cc(cc(c1)Cl)O 1458a_100011997059_100015361967 [0,2,0,0,0,0|2,0,0]=4 3074 B12R1.358 O=C(CF)c1cc(cc(c1)F)F 1458a_100000211655_100015361967 [0,2,0,0,0,0|2,0,0]=4 3075 B12R1.358 O=C(CF)c1cc(cc(c1)F)O 1458a_100012017291_100015361967 [0,2,0,0,0,0|2,0,0]=4 3076 B12R1.358 O=C(CF)c1cc(cc(c1)I)Br 1458a_100000689235_100015361967 [0,2,0,0,0,0|2,0,0]=4 3077 B12R1.358 O=C(CF)c1cc(cc(c1)I)Cl 1458a_100012047205_100015361967 [0,2,0,0,0,0|2,0,0]=4 3078 B12R1.358 O=C(CF)c1cc(cc(c1)I)F 1458a_100012047268_100015361967 [0,2,0,0,0,0|2,0,0]=4 3079 B12R1.358 O=C(CF)c1cc(cc(c1)I)I 1458a_100011204819_100015361967 [0,2,0,0,0,0|2,0,0]=4 3080 B12R1.435 C#Cc1cccc(c1)C(=O)CC 1458a_100011997762_100000210202 [0,2,0,0,0,0|2,0,0]=4 3081 B12R1.435 C#Cc1cccc(c1)C(=O)CF 1458a_100011997762_100015361967 [0,2,0,0,0,0|2,0,0]=4 3082 B12R1.435 C#Cc1cccc(c1)C(=O)NC 11a_106832991635_100011997762 [0,2,0,0,0,0|1,0,0]=3 3083 B12R1.435 C#Cc1cccc(c1)C(=O)NC 1626a_100102657272_100011997762 [0,2,0,0,0,0|1,0,0]=3 3084 B12R1.435 C#Cc1cccc(c1)C(=O)NC 240690a_100102657272_100011997762 [0,2,0,0,0,0|1,0,0]=3 3085 B12R1.435 C#Cc1cccc(c1)C(=O)NC 527a_100102657272_100011997762 [0,2,0,0,0,0|1,0,0]=3 3086 B12R1.435 C=Cc1cc(ccn1)C(=O)NC 271570a_100011290941_100011196506 [0,2,0,0,0,0|2,0,0]=4 3087 B12R1.435 C=Cc1cc(ccn1)C(=O)NN 271570a_100011290941_100000021280 [0,2,0,0,0,0|2,0,0]=4 3088 B12R1.435 C=Cc1cccc(c1)C(=O)C#N 271570a_100011290941_100010169886 [0,2,0,0,0,0|2,0,0]=4 3089 B12R1.435 C=Cc1cccc(c1)C(=O)C=O 271570a_100011290941_100000726164 [0,2,0,0,0,0|1,0,1]=4 3090 B12R1.435 C=Cc1cccc(c1)C(=O)CC 1458a_100011215009_100000210202 [0,2,0,0,0,0|2,0,0]=4 3091 B12R1.435 C=Cc1cccc(c1)C(=O)CC 271570a_100011290941_100000211677 [0,2,0,0,0,0|2,0,0]=4 3092 B12R1.435 C=Cc1cccc(c1)C(=O)CF 1458a_100011215009_100015361967 [0,2,0,0,0,0|2,0,0]=4 3093 B12R1.435 C=Cc1cccc(c1)C(=O)CN 271570a_100011290941_100020587001 [0,2,0,0,0,0|2,0,0]=4 3094 B12R1.435 C=Cc1cccc(c1)C(=O)NC 11a_106832991635_100011215009 [0,2,0,0,0,0|1,0,0]=3 3095 B12R1.435 C=Cc1cccc(c1)C(=O)NC 1626a_100102657272_100011215009 [0,2,0,0,0,0|1,0,0]=3 3096 B12R1.435 C=Cc1cccc(c1)C(=O)NC 240690a_100102657272_100011215009 [0,2,0,0,0,0|1,0,0]=3 3097 B12R1.435 C=Cc1cccc(c1)C(=O)NC 271570a_100011290941_100000155082 [0,2,0,0,0,0|1,0,0]=3 3098 B12R1.435 C=Cc1cccc(c1)C(=O)NC 527a_100102657272_100011215009 [0,2,0,0,0,0|1,0,0]=3 3099 B12R1.435 C=Cc1cccc(c1)C(=O)NN 271570a_100011290941_100000189783 [0,2,0,0,0,0|1,0,0]=3 3100 B12R1.435 C=Cc1cccc(c1)C(=O)OC 271570a_100011290941_100000148679 [0,2,0,0,0,0|2,0,0]=4 3101 B12R1.435 C=Cc1cccc(n1)C(=O)NC 271570a_100011290941_100000755456 [0,2,0,0,0,0|2,0,0]=4 3102 B12R1.435 C=Cc1cccc(n1)C(=O)NN 271570a_100011290941_100011631096 [0,2,0,0,0,0|2,0,0]=4 3103 B12R1.435 C=Cc1ccnc(c1)C(=O)NC 271570a_100011290941_100000204654 [0,2,0,0,0,0|2,0,0]=4 3104 B12R1.435 C=Cc1ccnc(c1)C(=O)NN 271570a_100011290941_100000017052 [0,2,0,0,0,0|2,0,0]=4 3105 B12R1.435 C=Cc1cncc(c1)C(=O)NC 271570a_100011290941_200000155086 [0,2,0,0,0,0|2,0,0]=4 3106 B12R1.435 C=Cc1cncc(c1)C(=O)NN 271570a_100011290941_100000189809 [0,2,0,0,0,0|2,0,0]=4 3107 B12R1.435 CCC(=O)c1cccc(c1)C#N 1458a_100000183950_100000210202 [0,2,0,0,0,0|2,0,0]=4 3108 B12R1.435 CCC(=O)c1cccc(c1)CC 1458a_100011933908_100000210202 [0,2,0,0,0,0|2,0,0]=4 3109 B12R1.435 CCC(=O)c1cccc(c1)CO 1458a_100000746274_100000210202 [0,2,0,0,0,0|2,0,0]=4 3110 B12R1.435 CCC(=O)c1cccc(c1)OC 1458a_100000188888_100000210202 [0,2,0,0,0,0|2,0,0]=4 3111 B12R1.435 CCC(=O)c1cccc(c1)OC 34a_100011996911_200000210301 [0,2,0,0,0,0|2,0,0]=4 3112 B12R1.435 CCC(=O)c1cccc(c1)OC 7a_100011996911_200000210301 [0,2,0,0,0,0|2,0,0]=4 3113 B12R1.435 CCC(=O)c1cccc(c1)O[13CH3] 34a_100011996911_200025704644 [0,2,0,0,0,0|2,0,0]=4 3114 B12R1.435 CCC(=O)c1cccc(c1)O[13CH3] 7a_100011996911_200025704644 [0,2,0,0,0,0|2,0,0]=4 3115 B12R1.435 CCC(=O)c1cccc(c1)SC 1458a_100011217804_100000210202 [0,2,0,0,0,0|2,0,0]=4 3116 B12R1.435 CCC(=O)c1cccc(c1)SC 62a_100000211677_200000210301 [0,2,0,0,0,0|2,0,0]=4 3117 B12R1.435 CCC(=O)c1cccc(c1)SC 62a_200000210301_100000211677 [0,2,0,0,0,0|2,0,0]=4 3118 B12R1.435 CCC(=O)c1cccc(c1)S[13CH3] 62a_100000211677_200025704644 [0,2,0,0,0,0|2,0,0]=4 3119 B12R1.435 CCC(=O)c1cccc(c1)S[13CH3] 62a_200025704644_100000211677 [0,2,0,0,0,0|2,0,0]=4 3120 B12R1.435 CCc1cccc(c1)C(=O)CF 1458a_100011933908_100015361967 [0,2,0,0,0,0|2,0,0]=4 3121 B12R1.435 CCc1cccc(c1)C(=O)NC 11a_106832991635_100011933908 [0,2,0,0,0,0|1,0,0]=3 3122 B12R1.435 CCc1cccc(c1)C(=O)NC 1626a_100102657272_100011933908 [0,2,0,0,0,0|1,0,0]=3 3123 B12R1.435 CCc1cccc(c1)C(=O)NC 240690a_100102657272_100011933908 [0,2,0,0,0,0|1,0,0]=3 3124 B12R1.435 CCc1cccc(c1)C(=O)NC 527a_100102657272_100011933908 [0,2,0,0,0,0|1,0,0]=3 3125 B12R1.435 CNC(=O)c1cc(ccn1)NC 27a_100102657272_100000204654 [0,2,0,0,0,0|2,0,0]=4 3126 B12R1.435 CNC(=O)c1cc(ccn1)SC 62a_100000204654_200000210301 [0,2,0,0,0,0|2,0,0]=4 3127 B12R1.435 CNC(=O)c1cc(ccn1)SC 62a_200000210301_100000204654 [0,2,0,0,0,0|2,0,0]=4 3128 B12R1.435 CNC(=O)c1cc(ccn1)S[13CH3] 62a_100000204654_200025704644 [0,2,0,0,0,0|2,0,0]=4 3129 B12R1.435 CNC(=O)c1cc(ccn1)S[13CH3] 62a_200025704644_100000204654 [0,2,0,0,0,0|2,0,0]=4 3130 B12R1.435 CNC(=O)c1cccc(c1)C#N 11a_106832991635_100000183950 [0,2,0,0,0,0|1,0,0]=3 3131 B12R1.435 CNC(=O)c1cccc(c1)C#N 1626a_100102657272_100000183950 [0,2,0,0,0,0|1,0,0]=3 3132 B12R1.435 CNC(=O)c1cccc(c1)C#N 240690a_100102657272_100000183950 [0,2,0,0,0,0|1,0,0]=3 3133 B12R1.435 CNC(=O)c1cccc(c1)C#N 527a_100102657272_100000183950 [0,2,0,0,0,0|1,0,0]=3 3134 B12R1.435 CNC(=O)c1cccc(c1)CO 240690a_100102657272_100000746274 [0,2,0,0,0,0|1,0,0]=3 3135 B12R1.435 CNC(=O)c1cccc(c1)NC 34a_100000185133_200000210301 [0,2,0,0,0,0|1,0,0]=3 3136 B12R1.435 CNC(=O)c1cccc(c1)N[13CH3] 34a_100000185133_200025704644 [0,2,0,0,0,0|1,0,0]=3 3137 B12R1.435 CNC(=O)c1cccc(c1)OC 11a_106832991635_100000188888 [0,2,0,0,0,0|1,0,0]=3 3138 B12R1.435 CNC(=O)c1cccc(c1)OC 1626a_100102657272_100000188888 [0,2,0,0,0,0|1,0,0]=3 3139 B12R1.435 CNC(=O)c1cccc(c1)OC 240690a_100102657272_100000188888 [0,2,0,0,0,0|1,0,0]=3 3140 B12R1.435 CNC(=O)c1cccc(c1)OC 34a_100000159807_200000210301 [0,2,0,0,0,0|1,0,0]=3 3141 B12R1.435 CNC(=O)c1cccc(c1)OC 527a_100102657272_100000188888 [0,2,0,0,0,0|1,0,0]=3 3142 B12R1.435 CNC(=O)c1cccc(c1)OC 7a_100000159807_200000210301 [0,2,0,0,0,0|1,0,0]=3 3143 B12R1.435 CNC(=O)c1cccc(c1)O[13CH3] 34a_100000159807_200025704644 [0,2,0,0,0,0|1,0,0]=3 3144 B12R1.435 CNC(=O)c1cccc(c1)O[13CH3] 7a_100000159807_200025704644 [0,2,0,0,0,0|1,0,0]=3 3145 B12R1.435 CNC(=O)c1cccc(c1)SC 11a_106832991635_100011217804 [0,2,0,0,0,0|1,0,0]=3 3146 B12R1.435 CNC(=O)c1cccc(c1)SC 1626a_100102657272_100011217804 [0,2,0,0,0,0|1,0,0]=3 3147 B12R1.435 CNC(=O)c1cccc(c1)SC 240690a_100102657272_100011217804 [0,2,0,0,0,0|1,0,0]=3 3148 B12R1.435 CNC(=O)c1cccc(c1)SC 527a_100102657272_100011217804 [0,2,0,0,0,0|1,0,0]=3 3149 B12R1.435 CNC(=O)c1cccc(c1)SC 62a_100000155082_200000210301 [0,2,0,0,0,0|1,0,0]=3 3150 B12R1.435 CNC(=O)c1cccc(c1)SC 62a_200000210301_100000155082 [0,2,0,0,0,0|1,0,0]=3 3151 B12R1.435 CNC(=O)c1cccc(c1)S[13CH3] 62a_100000155082_200025704644 [0,2,0,0,0,0|1,0,0]=3 3152 B12R1.435 CNC(=O)c1cccc(c1)S[13CH3] 62a_200025704644_100000155082 [0,2,0,0,0,0|1,0,0]=3 3153 B12R1.435 CNC(=O)c1cccc(n1)NC 27a_100102657272_100000755456 [0,2,0,0,0,0|2,0,0]=4 3154 B12R1.435 CNC(=O)c1cccc(n1)SC 62a_100000755456_200000210301 [0,2,0,0,0,0|2,0,0]=4 3155 B12R1.435 CNC(=O)c1cccc(n1)SC 62a_200000210301_100000755456 [0,2,0,0,0,0|2,0,0]=4 3156 B12R1.435 CNC(=O)c1cccc(n1)S[13CH3] 62a_100000755456_200025704644 [0,2,0,0,0,0|2,0,0]=4 3157 B12R1.435 CNC(=O)c1cccc(n1)S[13CH3] 62a_200025704644_100000755456 [0,2,0,0,0,0|2,0,0]=4 3158 B12R1.435 CNC(=O)c1ccnc(c1)SC 62a_100011196506_200000210301 [0,2,0,0,0,0|2,0,0]=4 3159 B12R1.435 CNC(=O)c1ccnc(c1)SC 62a_200000210301_100011196506 [0,2,0,0,0,0|2,0,0]=4 3160 B12R1.435 CNC(=O)c1ccnc(c1)S[13CH3] 62a_100011196506_200025704644 [0,2,0,0,0,0|2,0,0]=4 3161 B12R1.435 CNC(=O)c1ccnc(c1)S[13CH3] 62a_200025704644_100011196506 [0,2,0,0,0,0|2,0,0]=4 3162 B12R1.435 CNC(=O)c1cncc(c1)NC 27a_100102657272_200000155086 [0,2,0,0,0,0|2,0,0]=4 3163 B12R1.435 CNC(=O)c1cncc(c1)SC 62a_200000155086_200000210301 [0,2,0,0,0,0|2,0,0]=4 3164 B12R1.435 CNC(=O)c1cncc(c1)SC 62a_200000210301_200000155086 [0,2,0,0,0,0|2,0,0]=4 3165 B12R1.435 CNC(=O)c1cncc(c1)S[13CH3] 62a_200000155086_200025704644 [0,2,0,0,0,0|2,0,0]=4 3166 B12R1.435 CNC(=O)c1cncc(c1)S[13CH3] 62a_200025704644_200000155086 [0,2,0,0,0,0|2,0,0]=4 3167 B12R1.435 COC(=O)c1cccc(c1)OC 34a_100000150331_200000210301 [0,2,0,0,0,0|2,0,0]=4 3168 B12R1.435 COC(=O)c1cccc(c1)OC 7a_100000150331_200000210301 [0,2,0,0,0,0|2,0,0]=4 3169 B12R1.435 COC(=O)c1cccc(c1)O[13CH3] 34a_100000150331_200025704644 [0,2,0,0,0,0|2,0,0]=4 3170 B12R1.435 COC(=O)c1cccc(c1)O[13CH3] 7a_100000150331_200025704644 [0,2,0,0,0,0|2,0,0]=4 3171 B12R1.435 COC(=O)c1cccc(c1)SC 62a_100000148848_200000210301 [0,2,0,0,0,0|2,0,0]=4 3172 B12R1.435 COC(=O)c1cccc(c1)SC 62a_200000210301_100000148848 [0,2,0,0,0,0|2,0,0]=4 3173 B12R1.435 COC(=O)c1cccc(c1)S[13CH3] 62a_100000148848_200025704644 [0,2,0,0,0,0|2,0,0]=4 3174 B12R1.435 COC(=O)c1cccc(c1)S[13CH3] 62a_200025704644_100000148848 [0,2,0,0,0,0|2,0,0]=4 3175 B12R1.435 COc1cccc(c1)C(=NO)N 34a_100000738085_200000210301 [0,2,0,0,0,0|1,0,1]=4 3176 B12R1.435 COc1cccc(c1)C(=O)CBr 7a_100009813753_200000210301 [0,2,0,0,0,0|2,0,0]=4 3177 B12R1.435 COc1cccc(c1)C(=O)CF 1458a_100000188888_100015361967 [0,2,0,0,0,0|2,0,0]=4 3178 B12R1.435 COc1cccc(c1)C(=O)NN 34a_100000184184_200000210301 [0,2,0,0,0,0|1,0,0]=3 3179 B12R1.435 CSc1cc(ccn1)C(=O)NN 62a_100000021280_200000210301 [0,2,0,0,0,0|2,0,0]=4 3180 B12R1.435 CSc1cc(ccn1)C(=O)NN 62a_200000210301_100000021280 [0,2,0,0,0,0|2,0,0]=4 3181 B12R1.435 CSc1cccc(c1)C(=O)C#N 62a_200000210301_100010169886 [0,2,0,0,0,0|2,0,0]=4 3182 B12R1.435 CSc1cccc(c1)C(=O)C=O 62a_100000726164_200000210301 [0,2,0,0,0,0|1,0,1]=4 3183 B12R1.435 CSc1cccc(c1)C(=O)C=O 62a_200000210301_100000726164 [0,2,0,0,0,0|1,0,1]=4 3184 B12R1.435 CSc1cccc(c1)C(=O)CF 1458a_100011217804_100015361967 [0,2,0,0,0,0|2,0,0]=4 3185 B12R1.435 CSc1cccc(c1)C(=O)CN 62a_100020587001_200000210301 [0,2,0,0,0,0|2,0,0]=4 3186 B12R1.435 CSc1cccc(c1)C(=O)CN 62a_200000210301_100020587001 [0,2,0,0,0,0|2,0,0]=4 3187 B12R1.435 CSc1cccc(c1)C(=O)NN 62a_100000189783_200000210301 [0,2,0,0,0,0|1,0,0]=3 3188 B12R1.435 CSc1cccc(c1)C(=O)NN 62a_200000210301_100000189783 [0,2,0,0,0,0|1,0,0]=3 3189 B12R1.435 CSc1cccc(n1)C(=O)NN 62a_100011631096_200000210301 [0,2,0,0,0,0|2,0,0]=4 3190 B12R1.435 CSc1cccc(n1)C(=O)NN 62a_200000210301_100011631096 [0,2,0,0,0,0|2,0,0]=4 3191 B12R1.435 CSc1ccnc(c1)C(=O)NN 62a_100000017052_200000210301 [0,2,0,0,0,0|2,0,0]=4 3192 B12R1.435 CSc1ccnc(c1)C(=O)NN 62a_200000210301_100000017052 [0,2,0,0,0,0|2,0,0]=4 3193 B12R1.435 CSc1cncc(c1)C(=O)NN 62a_100000189809_200000210301 [0,2,0,0,0,0|2,0,0]=4 3194 B12R1.435 CSc1cncc(c1)C(=O)NN 62a_200000210301_100000189809 [0,2,0,0,0,0|2,0,0]=4 3195 B12R1.435 N#Cc1cccc(c1)C(=O)CF 1458a_100000183950_100015361967 [0,2,0,0,0,0|2,0,0]=4 3196 B12R1.435 O=C(CF)c1cccc(c1)CO 1458a_100000746274_100015361967 [0,2,0,0,0,0|2,0,0]=4 3197 B12R1.435 [13CH3]Oc1cccc(c1)C(=NO)N 34a_100000738085_200025704644 [0,2,0,0,0,0|1,0,1]=4 3198 B12R1.435 [13CH3]Oc1cccc(c1)C(=O)CBr 7a_100009813753_200025704644 [0,2,0,0,0,0|2,0,0]=4 3199 B12R1.435 [13CH3]Oc1cccc(c1)C(=O)NN 34a_100000184184_200025704644 [0,2,0,0,0,0|1,0,0]=3 3200 B12R1.435 [13CH3]Sc1cc(ccn1)C(=O)NN 62a_100000021280_200025704644 [0,2,0,0,0,0|2,0,0]=4 3201 B12R1.435 [13CH3]Sc1cc(ccn1)C(=O)NN 62a_200025704644_100000021280 [0,2,0,0,0,0|2,0,0]=4 3202 B12R1.435 [13CH3]Sc1cccc(c1)C(=O)C#N 62a_200025704644_100010169886 [0,2,0,0,0,0|2,0,0]=4 3203 B12R1.435 [13CH3]Sc1cccc(c1)C(=O)C=O 62a_100000726164_200025704644 [0,2,0,0,0,0|1,0,1]=4 3204 B12R1.435 [13CH3]Sc1cccc(c1)C(=O)C=O 62a_200025704644_100000726164 [0,2,0,0,0,0|1,0,1]=4 3205 B12R1.435 [13CH3]Sc1cccc(c1)C(=O)CN 62a_100020587001_200025704644 [0,2,0,0,0,0|2,0,0]=4 3206 B12R1.435 [13CH3]Sc1cccc(c1)C(=O)CN 62a_200025704644_100020587001 [0,2,0,0,0,0|2,0,0]=4 3207 B12R1.435 [13CH3]Sc1cccc(c1)C(=O)NN 62a_100000189783_200025704644 [0,2,0,0,0,0|1,0,0]=3 3208 B12R1.435 [13CH3]Sc1cccc(c1)C(=O)NN 62a_200025704644_100000189783 [0,2,0,0,0,0|1,0,0]=3 3209 B12R1.435 [13CH3]Sc1cccc(n1)C(=O)NN 62a_100011631096_200025704644 [0,2,0,0,0,0|2,0,0]=4 3210 B12R1.435 [13CH3]Sc1cccc(n1)C(=O)NN 62a_200025704644_100011631096 [0,2,0,0,0,0|2,0,0]=4 3211 B12R1.435 [13CH3]Sc1ccnc(c1)C(=O)NN 62a_100000017052_200025704644 [0,2,0,0,0,0|2,0,0]=4 3212 B12R1.435 [13CH3]Sc1ccnc(c1)C(=O)NN 62a_200025704644_100000017052 [0,2,0,0,0,0|2,0,0]=4 3213 B12R1.435 [13CH3]Sc1cncc(c1)C(=O)NN 62a_100000189809_200025704644 [0,2,0,0,0,0|2,0,0]=4 3214 B12R1.435 [13CH3]Sc1cncc(c1)C(=O)NN 62a_200025704644_100000189809 [0,2,0,0,0,0|2,0,0]=4 3215 B12R1.124 CC(C)C(=O)c1ccccc1Br 1458a_100000188424_100000210206 [0,2,0,0,0,0|2,0,0]=4 3216 B12R1.124 CC(C)C(=O)c1ccccc1Cl 1458a_100000185844_100000210206 [0,2,0,0,0,0|2,0,0]=4 3217 B12R1.124 CC(C)C(=O)c1ccccc1F 1458a_100000188656_100000210206 [0,2,0,0,0,0|2,0,0]=4 3218 B12R1.124 CC(C)C(=O)c1ccccc1I 1458a_100000187884_100000210206 [0,2,0,0,0,0|2,0,0]=4 3219 B12R1.124 CC(C)C(=O)c1ccccc1O 1458a_100015234032_100000210206 [0,2,0,0,0,0|2,0,0]=4 3220 B12R1.124 CC(C)C(=O)c1ccccc1[O-] 1458a_100009911694_100000210206 [0,2,0,0,0,0|2,0,0]=4 3221 B12R1.124 CN(C)C(=O)c1ccccc1Br 11a_100102631434_100000188424 [0,2,0,0,0,0|1,0,0]=3 3222 B12R1.124 CN(C)C(=O)c1ccccc1Br 1626a_100102631434_100000188424 [0,2,0,0,0,0|1,0,0]=3 3223 B12R1.124 CN(C)C(=O)c1ccccc1Br 240690a_100102631434_100000188424 [0,2,0,0,0,0|1,0,0]=3 3224 B12R1.124 CN(C)C(=O)c1ccccc1Br 527a_100102631434_100000188424 [0,2,0,0,0,0|1,0,0]=3 3225 B12R1.124 CN(C)C(=O)c1ccccc1Cl 11a_100102631434_100000185844 [0,2,0,0,0,0|1,0,0]=3 3226 B12R1.124 CN(C)C(=O)c1ccccc1Cl 1626a_100102631434_100000185844 [0,2,0,0,0,0|1,0,0]=3 3227 B12R1.124 CN(C)C(=O)c1ccccc1Cl 240690a_100102631434_100000185844 [0,2,0,0,0,0|1,0,0]=3 3228 B12R1.124 CN(C)C(=O)c1ccccc1Cl 527a_100102631434_100000185844 [0,2,0,0,0,0|1,0,0]=3 3229 B12R1.124 CN(C)C(=O)c1ccccc1F 11a_100102631434_100000188656 [0,2,0,0,0,0|1,0,0]=3 3230 B12R1.124 CN(C)C(=O)c1ccccc1F 1626a_100102631434_100000188656 [0,2,0,0,0,0|1,0,0]=3 3231 B12R1.124 CN(C)C(=O)c1ccccc1F 240690a_100102631434_100000188656 [0,2,0,0,0,0|1,0,0]=3 3232 B12R1.124 CN(C)C(=O)c1ccccc1F 527a_100102631434_100000188656 [0,2,0,0,0,0|1,0,0]=3 3233 B12R1.124 CN(C)C(=O)c1ccccc1I 11a_100102631434_100000187884 [0,2,0,0,0,0|1,0,0]=3 3234 B12R1.124 CN(C)C(=O)c1ccccc1I 1626a_100102631434_100000187884 [0,2,0,0,0,0|1,0,0]=3 3235 B12R1.124 CN(C)C(=O)c1ccccc1I 240690a_100102631434_100000187884 [0,2,0,0,0,0|1,0,0]=3 3236 B12R1.124 CN(C)C(=O)c1ccccc1I 527a_100102631434_100000187884 [0,2,0,0,0,0|1,0,0]=3 3237 B12R1.124 CN(C)C(=O)c1ccccc1O 240690a_100102631434_100015234032 [0,2,0,0,0,0|1,0,0]=3 3238 B12R1.124 CN(C)C(=O)c1ccccc1O 271570a_203496583355_100000159526 [0,2,0,0,0,0|1,0,0]=3 3239 B12R1.124 CN(C)C(=O)c1ccccc1[O-] 1626a_100102631434_100009911694 [0,2,0,0,0,0|1,0,0]=3 3240 B12R1.124 CN(C)C(=O)c1ccccc1[O-] 240690a_100102631434_100009911694 [0,2,0,0,0,0|1,0,0]=3 3241 B12R1.124 CN(C)C(=O)c1ccccc1[O-] 527a_100102631434_100009911694 [0,2,0,0,0,0|1,0,0]=3 3242 B12R1.124 CN(C)C(=O)c1cccnc1O 271570a_203496583355_100000159563 [0,2,0,0,0,0|2,0,0]=4 3243 B12R1.124 Cc1ccccc1C(=O)C(C)C 1458a_100000212026_100000210206 [0,2,0,0,0,0|2,0,0]=4 3244 B12R1.124 Cc1ccccc1C(=O)N(C)C 11a_100102631434_100000212026 [0,2,0,0,0,0|1,0,0]=3 3245 B12R1.124 Cc1ccccc1C(=O)N(C)C 1626a_100102631434_100000212026 [0,2,0,0,0,0|1,0,0]=3 3246 B12R1.124 Cc1ccccc1C(=O)N(C)C 240690a_100102631434_100000212026 [0,2,0,0,0,0|1,0,0]=3 3247 B12R1.124 Cc1ccccc1C(=O)N(C)C 527a_100102631434_100000212026 [0,2,0,0,0,0|1,0,0]=3 3248 B12R1.564 O=C(c1ccccc1)C(F)(F)F 1458a_100000185807_200000243211 [0,2,0,0,0,0|2,0,0]=4 3249 B12R1.77 C#Cc1ccccc1C(=O)CC 1458a_100011243808_100000210202 [0,2,0,0,0,0|2,0,0]=4 3250 B12R1.77 C#Cc1ccccc1C(=O)CF 1458a_100011243808_100015361967 [0,2,0,0,0,0|2,0,0]=4 3251 B12R1.77 C#Cc1ccccc1C(=O)NC 527a_100102657272_100011243808 [0,2,0,0,0,0|1,0,0]=3 3252 B12R1.77 C=Cc1ccccc1C(=O)CC 1458a_100011830265_100000210202 [0,2,0,0,0,0|2,0,0]=4 3253 B12R1.77 C=Cc1ccccc1C(=O)CF 1458a_100011830265_100015361967 [0,2,0,0,0,0|2,0,0]=4 3254 B12R1.77 C=Cc1ccccc1C(=O)NC 1626a_100102657272_100011830265 [0,2,0,0,0,0|1,0,0]=3 3255 B12R1.77 C=Cc1ccccc1C(=O)NC 271570a_100011290941_100000155073 [0,2,0,0,0,0|1,0,0]=3 3256 B12R1.77 C=Cc1ccccc1C(=O)NN 271570a_100011290941_100000190081 [0,2,0,0,0,0|1,0,0]=3 3257 B12R1.77 C=Cc1ccccc1C(=O)OC 271570a_100011290941_100000148710 [0,2,0,0,0,0|2,0,0]=4 3258 B12R1.77 C=Cc1ncccc1C(=O)NC 271570a_100011290941_100000159833 [0,2,0,0,0,0|2,0,0]=4 3259 B12R1.77 CC(=NO)c1ccccc1O[13CH3] 34a_100000164216_200025704644 [0,2,0,0,0,0|1,0,1]=4 3260 B12R1.77 CCC(=O)c1ccccc1C#N 1458a_100000742908_100000210202 [0,2,0,0,0,0|2,0,0]=4 3261 B12R1.77 CCC(=O)c1ccccc1CC 1458a_100000689120_100000210202 [0,2,0,0,0,0|2,0,0]=4 3262 B12R1.77 CCC(=O)c1ccccc1CO 1458a_100011301526_100000210202 [0,2,0,0,0,0|2,0,0]=4 3263 B12R1.77 CCC(=O)c1ccccc1I=O 1458a_100000032414_100000210202 [0,2,0,0,0,0|2,0,0]=4 3264 B12R1.77 CCC(=O)c1ccccc1OC 1458a_100000185835_100000210202 [0,2,0,0,0,0|2,0,0]=4 3265 B12R1.77 CCC(=O)c1ccccc1OC 7a_100000184720_200000210301 [0,2,0,0,0,0|2,0,0]=4 3266 B12R1.77 CCC(=O)c1ccccc1O[13CH3] 7a_100000184720_200025704644 [0,2,0,0,0,0|2,0,0]=4 3267 B12R1.77 CCC(=O)c1ccccc1SC 1458a_100000183967_100000210202 [0,2,0,0,0,0|2,0,0]=4 3268 B12R1.77 CCc1ccccc1C(=O)CF 1458a_100000689120_100015361967 [0,2,0,0,0,0|2,0,0]=4 3269 B12R1.77 CCc1ccccc1C(=O)NC 11a_106832991635_100000689120 [0,2,0,0,0,0|1,0,0]=3 3270 B12R1.77 CCc1ccccc1C(=O)NC 1626a_100102657272_100000689120 [0,2,0,0,0,0|1,0,0]=3 3271 B12R1.77 CCc1ccccc1C(=O)NC 240690a_100102657272_100000689120 [0,2,0,0,0,0|1,0,0]=3 3272 B12R1.77 CCc1ccccc1C(=O)NC 527a_100102657272_100000689120 [0,2,0,0,0,0|1,0,0]=3 3273 B12R1.77 CNC(=O)c1ccccc1C#N 11a_106832991635_100000742908 [0,2,0,0,0,0|1,0,0]=3 3274 B12R1.77 CNC(=O)c1ccccc1C#N 1626a_100102657272_100000742908 [0,2,0,0,0,0|1,0,0]=3 3275 B12R1.77 CNC(=O)c1ccccc1C#N 527a_100102657272_100000742908 [0,2,0,0,0,0|1,0,0]=3 3276 B12R1.77 CNC(=O)c1ccccc1I=O 1626a_100102657272_100000032414 [0,2,0,0,0,0|1,0,0]=3 3277 B12R1.77 CNC(=O)c1ccccc1I=O 240690a_100102657272_100000032414 [0,2,0,0,0,0|1,0,0]=3 3278 B12R1.77 CNC(=O)c1ccccc1I=O 527a_100102657272_100000032414 [0,2,0,0,0,0|1,0,0]=3 3279 B12R1.77 CNC(=O)c1ccccc1NC 27a_100102657272_100000155073 [0,2,0,0,0,0|1,0,0]=3 3280 B12R1.77 CNC(=O)c1ccccc1NC 34a_100000185696_200000210301 [0,2,0,0,0,0|1,0,0]=3 3281 B12R1.77 CNC(=O)c1ccccc1N[13CH3] 34a_100000185696_200025704644 [0,2,0,0,0,0|1,0,0]=3 3282 B12R1.77 CNC(=O)c1ccccc1OC 11a_106832991635_100000185835 [0,2,0,0,0,0|1,0,0]=3 3283 B12R1.77 CNC(=O)c1ccccc1OC 1626a_100102657272_100000185835 [0,2,0,0,0,0|1,0,0]=3 3284 B12R1.77 CNC(=O)c1ccccc1OC 240690a_100102657272_100000185835 [0,2,0,0,0,0|1,0,0]=3 3285 B12R1.77 CNC(=O)c1ccccc1OC 34a_100000185920_200000210301 [0,2,0,0,0,0|1,0,0]=3 3286 B12R1.77 CNC(=O)c1ccccc1OC 527a_100102657272_100000185835 [0,2,0,0,0,0|1,0,0]=3 3287 B12R1.77 CNC(=O)c1ccccc1OC 7a_100000185920_200000210301 [0,2,0,0,0,0|1,0,0]=3 3288 B12R1.77 CNC(=O)c1ccccc1O[13CH3] 34a_100000185920_200025704644 [0,2,0,0,0,0|1,0,0]=3 3289 B12R1.77 CNC(=O)c1ccccc1O[13CH3] 7a_100000185920_200025704644 [0,2,0,0,0,0|1,0,0]=3 3290 B12R1.77 CNC(=O)c1ccccc1SC 11a_106832991635_100000183967 [0,2,0,0,0,0|1,0,0]=3 3291 B12R1.77 CNC(=O)c1ccccc1SC 1626a_100102657272_100000183967 [0,2,0,0,0,0|1,0,0]=3 3292 B12R1.77 CNC(=O)c1ccccc1SC 240690a_100102657272_100000183967 [0,2,0,0,0,0|1,0,0]=3 3293 B12R1.77 CNC(=O)c1ccccc1SC 527a_100102657272_100000183967 [0,2,0,0,0,0|1,0,0]=3 3294 B12R1.77 CNC(=O)c1ccccc1SC 62a_100000155073_200000210301 [0,2,0,0,0,0|1,0,0]=3 3295 B12R1.77 CNC(=O)c1ccccc1SC 62a_200000210301_100000155073 [0,2,0,0,0,0|1,0,0]=3 3296 B12R1.77 CNC(=O)c1ccccc1S[13CH3] 62a_100000155073_200025704644 [0,2,0,0,0,0|1,0,0]=3 3297 B12R1.77 CNC(=O)c1ccccc1S[13CH3] 62a_200025704644_100000155073 [0,2,0,0,0,0|1,0,0]=3 3298 B12R1.77 CNC(=O)c1cccnc1NC 27a_100102657272_100000159833 [0,2,0,0,0,0|2,0,0]=4 3299 B12R1.77 CNC(=O)c1cccnc1SC 62a_100000159833_200000210301 [0,2,0,0,0,0|2,0,0]=4 3300 B12R1.77 CNC(=O)c1cccnc1SC 62a_200000210301_100000159833 [0,2,0,0,0,0|2,0,0]=4 3301 B12R1.77 CNC(=O)c1cccnc1S[13CH3] 62a_100000159833_200025704644 [0,2,0,0,0,0|2,0,0]=4 3302 B12R1.77 CNC(=O)c1cccnc1S[13CH3] 62a_200025704644_100000159833 [0,2,0,0,0,0|2,0,0]=4 3303 B12R1.77 CNC(=O)c1ncccc1OC 34a_100011376092_200000210301 [0,2,0,0,0,0|2,0,0]=4 3304 B12R1.77 CNC(=O)c1ncccc1OC 7a_100011376092_200000210301 [0,2,0,0,0,0|2,0,0]=4 3305 B12R1.77 CNC(=O)c1ncccc1O[13CH3] 34a_100011376092_200025704644 [0,2,0,0,0,0|2,0,0]=4 3306 B12R1.77 CNC(=O)c1ncccc1O[13CH3] 7a_100011376092_200025704644 [0,2,0,0,0,0|2,0,0]=4 3307 B12R1.77 COC(=O)c1ccccc1OC 7a_100000150335_200000210301 [0,2,0,0,0,0|2,0,0]=4 3308 B12R1.77 COC(=O)c1ccccc1O[13CH3] 7a_100000150335_200025704644 [0,2,0,0,0,0|2,0,0]=4 3309 B12R1.77 COC(=O)c1ccccc1SC 62a_100000148710_200000210301 [0,2,0,0,0,0|2,0,0]=4 3310 B12R1.77 COC(=O)c1ccccc1SC 62a_200000210301_100000148710 [0,2,0,0,0,0|2,0,0]=4 3311 B12R1.77 COC(=O)c1ccccc1S[13CH3] 62a_100000148710_200025704644 [0,2,0,0,0,0|2,0,0]=4 3312 B12R1.77 COC(=O)c1ccccc1S[13CH3] 62a_200025704644_100000148710 [0,2,0,0,0,0|2,0,0]=4 3313 B12R1.77 COc1ccccc1C(=NO)C 34a_100000164216_200000210301 [0,2,0,0,0,0|1,0,1]=4 3314 B12R1.77 COc1ccccc1C(=O)CBr 7a_100000188908_200000210301 [0,2,0,0,0,0|2,0,0]=4 3315 B12R1.77 COc1ccccc1C(=O)CF 1458a_100000185835_100015361967 [0,2,0,0,0,0|2,0,0]=4 3316 B12R1.77 COc1ccccc1C(=O)NN 34a_100000186518_200000210301 [0,2,0,0,0,0|1,0,0]=3 3317 B12R1.77 COc1ccccc1C(=O)NO 34a_100000188472_200000210301 [0,2,0,0,0,0|0,0,0]=2 3318 B12R1.77 CSc1ccccc1C(=O)CF 1458a_100000183967_100015361967 [0,2,0,0,0,0|2,0,0]=4 3319 B12R1.77 CSc1ccccc1C(=O)NN 62a_100000190081_200000210301 [0,2,0,0,0,0|1,0,0]=3 3320 B12R1.77 CSc1ccccc1C(=O)NN 62a_200000210301_100000190081 [0,2,0,0,0,0|1,0,0]=3 3321 B12R1.77 CSc1ccccc1C(=O)O[Na] 62a_200000210301_114855342371 [0,2,0,0,0,0|2,0,0]=4 3322 B12R1.77 N#Cc1ccccc1C(=O)CF 1458a_100000742908_100015361967 [0,2,0,0,0,0|2,0,0]=4 3323 B12R1.77 O=C(CF)c1ccccc1CO 1458a_100011301526_100015361967 [0,2,0,0,0,0|2,0,0]=4 3324 B12R1.77 O=Ic1ccccc1C(=O)CF 1458a_100000032414_100015361967 [0,2,0,0,0,0|2,0,0]=4 3325 B12R1.77 [13CH3]Oc1ccccc1C(=O)CBr 7a_100000188908_200025704644 [0,2,0,0,0,0|2,0,0]=4 3326 B12R1.77 [13CH3]Oc1ccccc1C(=O)NN 34a_100000186518_200025704644 [0,2,0,0,0,0|1,0,0]=3 3327 B12R1.77 [13CH3]Oc1ccccc1C(=O)NO 34a_100000188472_200025704644 [0,2,0,0,0,0|0,0,0]=2 3328 B12R1.77 [13CH3]Sc1ccccc1C(=O)NN 62a_100000190081_200025704644 [0,2,0,0,0,0|1,0,0]=3 3329 B12R1.77 [13CH3]Sc1ccccc1C(=O)NN 62a_200025704644_100000190081 [0,2,0,0,0,0|1,0,0]=3 3330 B12R1.77 [13CH3]Sc1ccccc1C(=O)O[Na] 62a_200025704644_114855342371 [0,2,0,0,0,0|2,0,0]=4 3331 B12R1.3441 CCC(=O)c1c(cccc1Br)Br 1458a_100000690891_100000210202 [0,2,0,0,0,0|2,0,0]=4 3332 B12R1.3441 CCC(=O)c1c(cccc1Br)C 1458a_100000701904_100000210202 [0,2,0,0,0,0|2,0,0]=4 3333 B12R1.3441 CCC(=O)c1c(cccc1Br)Cl 1458a_100011253703_100000210202 [0,2,0,0,0,0|2,0,0]=4 3334 B12R1.3441 CCC(=O)c1c(cccc1Br)F 1458a_100000752694_100000210202 [0,2,0,0,0,0|2,0,0]=4 3335 B12R1.3441 CCC(=O)c1c(cccc1Br)O 1458a_100011935254_100000210202 [0,2,0,0,0,0|2,0,0]=4 3336 B12R1.3441 CCC(=O)c1c(cccc1C)C 1458a_100000758298_100000210202 [0,2,0,0,0,0|2,0,0]=4 3337 B12R1.3441 CCC(=O)c1c(cccc1Cl)C 1458a_100000692601_100000210202 [0,2,0,0,0,0|2,0,0]=4 3338 B12R1.3441 CCC(=O)c1c(cccc1Cl)Cl 1458a_100000210656_100000210202 [0,2,0,0,0,0|2,0,0]=4 3339 B12R1.3441 CCC(=O)c1c(cccc1Cl)F 1458a_100000210369_100000210202 [0,2,0,0,0,0|2,0,0]=4 3340 B12R1.3441 CCC(=O)c1c(cccc1Cl)O 1458a_100000745519_100000210202 [0,2,0,0,0,0|2,0,0]=4 3341 B12R1.3441 CCC(=O)c1c(cccc1F)C 1458a_100000762013_100000210202 [0,2,0,0,0,0|2,0,0]=4 3342 B12R1.3441 CCC(=O)c1c(cccc1F)F 1458a_100000210804_100000210202 [0,2,0,0,0,0|2,0,0]=4 3343 B12R1.3441 CCC(=O)c1c(cccc1F)O 1458a_100000763259_100000210202 [0,2,0,0,0,0|2,0,0]=4 3344 B12R1.3441 CCC(=O)c1c(cccc1I)Br 1458a_100010232521_100000210202 [0,2,0,0,0,0|2,0,0]=4 3345 B12R1.3441 CCC(=O)c1c(cccc1I)C 1458a_100000688020_100000210202 [0,2,0,0,0,0|2,0,0]=4 3346 B12R1.3441 CCC(=O)c1c(cccc1I)Cl 1458a_100000702859_100000210202 [0,2,0,0,0,0|2,0,0]=4 3347 B12R1.3441 CCC(=O)c1c(cccc1I)F 1458a_100000023732_100000210202 [0,2,0,0,0,0|2,0,0]=4 3348 B12R1.3441 CCC(=O)c1c(cccc1O)C 1458a_100011934116_100000210202 [0,2,0,0,0,0|2,0,0]=4 3349 B12R1.3441 CCC(=O)c1c(cccc1O)O 1458a_100000755285_100000210202 [0,2,0,0,0,0|2,0,0]=4 3350 B12R1.3441 CNC(=O)c1c(cccc1Br)Br 11a_106832991635_100000690891 [0,2,0,0,0,0|1,0,0]=3 3351 B12R1.3441 CNC(=O)c1c(cccc1Br)Br 1626a_100102657272_100000690891 [0,2,0,0,0,0|1,0,0]=3 3352 B12R1.3441 CNC(=O)c1c(cccc1Br)Br 240690a_100102657272_100000690891 [0,2,0,0,0,0|1,0,0]=3 3353 B12R1.3441 CNC(=O)c1c(cccc1Br)Br 527a_100102657272_100000690891 [0,2,0,0,0,0|1,0,0]=3 3354 B12R1.3441 CNC(=O)c1c(cccc1Br)C 11a_106832991635_100000701904 [0,2,0,0,0,0|1,0,0]=3 3355 B12R1.3441 CNC(=O)c1c(cccc1Br)C 1626a_100102657272_100000701904 [0,2,0,0,0,0|1,0,0]=3 3356 B12R1.3441 CNC(=O)c1c(cccc1Br)C 240690a_100102657272_100000701904 [0,2,0,0,0,0|1,0,0]=3 3357 B12R1.3441 CNC(=O)c1c(cccc1Br)C 527a_100102657272_100000701904 [0,2,0,0,0,0|1,0,0]=3 3358 B12R1.3441 CNC(=O)c1c(cccc1Br)Cl 11a_106832991635_100011253703 [0,2,0,0,0,0|1,0,0]=3 3359 B12R1.3441 CNC(=O)c1c(cccc1Br)Cl 1626a_100102657272_100011253703 [0,2,0,0,0,0|1,0,0]=3 3360 B12R1.3441 CNC(=O)c1c(cccc1Br)Cl 240690a_100102657272_100011253703 [0,2,0,0,0,0|1,0,0]=3 3361 B12R1.3441 CNC(=O)c1c(cccc1Br)Cl 527a_100102657272_100011253703 [0,2,0,0,0,0|1,0,0]=3 3362 B12R1.3441 CNC(=O)c1c(cccc1Br)F 11a_106832991635_100000752694 [0,2,0,0,0,0|1,0,0]=3 3363 B12R1.3441 CNC(=O)c1c(cccc1Br)F 1626a_100102657272_100000752694 [0,2,0,0,0,0|1,0,0]=3 3364 B12R1.3441 CNC(=O)c1c(cccc1Br)F 240690a_100102657272_100000752694 [0,2,0,0,0,0|1,0,0]=3 3365 B12R1.3441 CNC(=O)c1c(cccc1Br)F 527a_100102657272_100000752694 [0,2,0,0,0,0|1,0,0]=3 3366 B12R1.3441 CNC(=O)c1c(cccc1Br)O 240690a_100102657272_100011935254 [0,2,0,0,0,0|1,0,0]=3 3367 B12R1.3441 CNC(=O)c1c(cccc1Br)O 527a_100102657272_100011935254 [0,2,0,0,0,0|1,0,0]=3 3368 B12R1.3441 CNC(=O)c1c(cccc1C)C 11a_106832991635_100000758298 [0,2,0,0,0,0|1,0,0]=3 3369 B12R1.3441 CNC(=O)c1c(cccc1C)C 1626a_100102657272_100000758298 [0,2,0,0,0,0|1,0,0]=3 3370 B12R1.3441 CNC(=O)c1c(cccc1C)C 240690a_100102657272_100000758298 [0,2,0,0,0,0|1,0,0]=3 3371 B12R1.3441 CNC(=O)c1c(cccc1Cl)C 11a_106832991635_100000692601 [0,2,0,0,0,0|1,0,0]=3 3372 B12R1.3441 CNC(=O)c1c(cccc1Cl)C 1626a_100102657272_100000692601 [0,2,0,0,0,0|1,0,0]=3 3373 B12R1.3441 CNC(=O)c1c(cccc1Cl)C 240690a_100102657272_100000692601 [0,2,0,0,0,0|1,0,0]=3 3374 B12R1.3441 CNC(=O)c1c(cccc1Cl)Cl 11a_106832991635_100000210656 [0,2,0,0,0,0|1,0,0]=3 3375 B12R1.3441 CNC(=O)c1c(cccc1Cl)Cl 1626a_100102657272_100000210656 [0,2,0,0,0,0|1,0,0]=3 3376 B12R1.3441 CNC(=O)c1c(cccc1Cl)Cl 240690a_100102657272_100000210656 [0,2,0,0,0,0|1,0,0]=3 3377 B12R1.3441 CNC(=O)c1c(cccc1Cl)F 11a_106832991635_100000210369 [0,2,0,0,0,0|1,0,0]=3 3378 B12R1.3441 CNC(=O)c1c(cccc1Cl)F 1626a_100102657272_100000210369 [0,2,0,0,0,0|1,0,0]=3 3379 B12R1.3441 CNC(=O)c1c(cccc1Cl)F 240690a_100102657272_100000210369 [0,2,0,0,0,0|1,0,0]=3 3380 B12R1.3441 CNC(=O)c1c(cccc1Cl)F 527a_100102657272_100000210369 [0,2,0,0,0,0|1,0,0]=3 3381 B12R1.3441 CNC(=O)c1c(cccc1Cl)O 240690a_100102657272_100000745519 [0,2,0,0,0,0|1,0,0]=3 3382 B12R1.3441 CNC(=O)c1c(cccc1Cl)O 527a_100102657272_100000745519 [0,2,0,0,0,0|1,0,0]=3 3383 B12R1.3441 CNC(=O)c1c(cccc1F)C 11a_106832991635_100000762013 [0,2,0,0,0,0|1,0,0]=3 3384 B12R1.3441 CNC(=O)c1c(cccc1F)C 1626a_100102657272_100000762013 [0,2,0,0,0,0|1,0,0]=3 3385 B12R1.3441 CNC(=O)c1c(cccc1F)C 240690a_100102657272_100000762013 [0,2,0,0,0,0|1,0,0]=3 3386 B12R1.3441 CNC(=O)c1c(cccc1F)C 527a_100102657272_100000762013 [0,2,0,0,0,0|1,0,0]=3 3387 B12R1.3441 CNC(=O)c1c(cccc1F)F 11a_106832991635_100000210804 [0,2,0,0,0,0|1,0,0]=3 3388 B12R1.3441 CNC(=O)c1c(cccc1F)F 1626a_100102657272_100000210804 [0,2,0,0,0,0|1,0,0]=3 3389 B12R1.3441 CNC(=O)c1c(cccc1F)F 240690a_100102657272_100000210804 [0,2,0,0,0,0|1,0,0]=3 3390 B12R1.3441 CNC(=O)c1c(cccc1F)F 527a_100102657272_100000210804 [0,2,0,0,0,0|1,0,0]=3 3391 B12R1.3441 CNC(=O)c1c(cccc1F)O 271570a_203496583355_100012642803 [0,2,0,0,0,0|1,0,0]=3 3392 B12R1.3441 CNC(=O)c1c(cccc1F)O 527a_100102657272_100000763259 [0,2,0,0,0,0|1,0,0]=3 3393 B12R1.3441 CNC(=O)c1c(cccc1I)Br 11a_106832991635_100010232521 [0,2,0,0,0,0|1,0,0]=3 3394 B12R1.3441 CNC(=O)c1c(cccc1I)Br 1626a_100102657272_100010232521 [0,2,0,0,0,0|1,0,0]=3 3395 B12R1.3441 CNC(=O)c1c(cccc1I)Br 240690a_100102657272_100010232521 [0,2,0,0,0,0|1,0,0]=3 3396 B12R1.3441 CNC(=O)c1c(cccc1I)Br 527a_100102657272_100010232521 [0,2,0,0,0,0|1,0,0]=3 3397 B12R1.3441 CNC(=O)c1c(cccc1I)C 11a_106832991635_100000688020 [0,2,0,0,0,0|1,0,0]=3 3398 B12R1.3441 CNC(=O)c1c(cccc1I)C 1626a_100102657272_100000688020 [0,2,0,0,0,0|1,0,0]=3 3399 B12R1.3441 CNC(=O)c1c(cccc1I)C 240690a_100102657272_100000688020 [0,2,0,0,0,0|1,0,0]=3 3400 B12R1.3441 CNC(=O)c1c(cccc1I)Cl 11a_106832991635_100000702859 [0,2,0,0,0,0|1,0,0]=3 3401 B12R1.3441 CNC(=O)c1c(cccc1I)Cl 1626a_100102657272_100000702859 [0,2,0,0,0,0|1,0,0]=3 3402 B12R1.3441 CNC(=O)c1c(cccc1I)Cl 240690a_100102657272_100000702859 [0,2,0,0,0,0|1,0,0]=3 3403 B12R1.3441 CNC(=O)c1c(cccc1I)Cl 527a_100102657272_100000702859 [0,2,0,0,0,0|1,0,0]=3 3404 B12R1.3441 CNC(=O)c1c(cccc1I)F 11a_106832991635_100000023732 [0,2,0,0,0,0|1,0,0]=3 3405 B12R1.3441 CNC(=O)c1c(cccc1I)F 1626a_100102657272_100000023732 [0,2,0,0,0,0|1,0,0]=3 3406 B12R1.3441 CNC(=O)c1c(cccc1I)F 240690a_100102657272_100000023732 [0,2,0,0,0,0|1,0,0]=3 3407 B12R1.3441 CNC(=O)c1c(cccc1O)O 527a_100102657272_100000755285 [0,2,0,0,0,0|1,0,0]=3 3408 B12R1.3441 COC(=O)c1c(cccc1Br)O 271570a_203496583355_100010247157 [0,2,0,0,0,0|2,0,0]=4 3409 B12R1.3441 COC(=O)c1c(cccc1Cl)O 271570a_203496583355_100010150959 [0,2,0,0,0,0|2,0,0]=4 3410 B12R1.3441 COC(=O)c1c(cccc1F)O 271570a_203496583355_100000150693 [0,2,0,0,0,0|2,0,0]=4 3411 B12R1.3441 COC(=O)c1c(cccc1O)C 271570a_203496583355_100010204206 [0,2,0,0,0,0|2,0,0]=4 3412 B12R1.3441 COC(=O)c1c(cccc1O)N 271570a_203496583355_100010253892 [0,2,0,0,0,0|2,0,0]=4 3413 B12R1.3441 Cc1cccc(c1C(=O)CF)Br 1458a_100000701904_100015361967 [0,2,0,0,0,0|2,0,0]=4 3414 B12R1.3441 Cc1cccc(c1C(=O)CF)C 1458a_100000758298_100015361967 [0,2,0,0,0,0|2,0,0]=4 3415 B12R1.3441 Cc1cccc(c1C(=O)CF)Cl 1458a_100000692601_100015361967 [0,2,0,0,0,0|2,0,0]=4 3416 B12R1.3441 Cc1cccc(c1C(=O)CF)F 1458a_100000762013_100015361967 [0,2,0,0,0,0|2,0,0]=4 3417 B12R1.3441 Cc1cccc(c1C(=O)CF)I 1458a_100000688020_100015361967 [0,2,0,0,0,0|2,0,0]=4 3418 B12R1.3441 Cc1cccc(c1C(=O)CF)O 1458a_100011934116_100015361967 [0,2,0,0,0,0|2,0,0]=4 3419 B12R1.3441 O=C(CF)c1c(cccc1Br)Br 1458a_100000690891_100015361967 [0,2,0,0,0,0|2,0,0]=4 3420 B12R1.3441 O=C(CF)c1c(cccc1Br)Cl 1458a_100011253703_100015361967 [0,2,0,0,0,0|2,0,0]=4 3421 B12R1.3441 O=C(CF)c1c(cccc1Br)F 1458a_100000752694_100015361967 [0,2,0,0,0,0|2,0,0]=4 3422 B12R1.3441 O=C(CF)c1c(cccc1Br)O 1458a_100011935254_100015361967 [0,2,0,0,0,0|2,0,0]=4 3423 B12R1.3441 O=C(CF)c1c(cccc1Cl)Cl 1458a_100000210656_100015361967 [0,2,0,0,0,0|2,0,0]=4 3424 B12R1.3441 O=C(CF)c1c(cccc1Cl)F 1458a_100000210369_100015361967 [0,2,0,0,0,0|2,0,0]=4 3425 B12R1.3441 O=C(CF)c1c(cccc1Cl)O 1458a_100000745519_100015361967 [0,2,0,0,0,0|2,0,0]=4 3426 B12R1.3441 O=C(CF)c1c(cccc1F)F 1458a_100000210804_100015361967 [0,2,0,0,0,0|2,0,0]=4 3427 B12R1.3441 O=C(CF)c1c(cccc1F)O 1458a_100000763259_100015361967 [0,2,0,0,0,0|2,0,0]=4 3428 B12R1.3441 O=C(CF)c1c(cccc1I)Br 1458a_100010232521_100015361967 [0,2,0,0,0,0|2,0,0]=4 3429 B12R1.3441 O=C(CF)c1c(cccc1I)Cl 1458a_100000702859_100015361967 [0,2,0,0,0,0|2,0,0]=4 3430 B12R1.3441 O=C(CF)c1c(cccc1I)F 1458a_100000023732_100015361967 [0,2,0,0,0,0|2,0,0]=4 3431 B12R1.3441 O=C(CF)c1c(cccc1O)O 1458a_100000755285_100015361967 [0,2,0,0,0,0|2,0,0]=4 3432 B10R1.176 C=Cc1c[nH]c(=O)c(c1)Br 271570a_100011290941_100010125443 [0,0,1,1,0,0|2,0,0]=4 3433 B10R1.176 C=Cc1c[nH]c(=O)c(c1)F 271570a_100011290941_100000723523 [0,0,1,1,0,0|2,0,0]=4 3434 B10R1.176 C=Cc1c[nH]c(=O)c(c1)O 271570a_100011290941_100009814561 [0,0,1,1,0,0|2,0,0]=4 3435 B10R1.176 C=Cc1cc(c(=O)[nH]n1)C 271570a_100011290941_100012187101 [0,0,1,1,0,0|1,0,1]=4 3436 B10R1.176 C=Cc1cc(c(=O)[nH]n1)N 271570a_100011290941_100000102183 [0,0,1,1,0,0|2,0,0]=4 3437 B10R1.2 C=Cc1cccc(c1Br)O 271570a_100011290941_100010187914 [0,0,1,1,0,0|2,0,0]=4 3438 B10R1.2 C=Cc1cccc(c1C)O 271570a_100011290941_100012002258 [0,0,1,1,0,0|2,0,0]=4 3439 B10R1.2 C=Cc1cccc(c1Cl)O 271570a_100011290941_100000049636 [0,0,1,1,0,0|2,0,0]=4 3440 B10R1.2 C=Cc1cccc(c1F)O 271570a_100011290941_100009817021 [0,0,1,1,0,0|2,0,0]=4 3441 B10R1.2 C=Cc1cccc(c1N)O 271570a_100011290941_100011934926 [0,0,1,1,0,0|2,0,0]=4 3442 B10R1.2 C=Cc1cccc(c1O)O 271570a_100011290941_100009815950 [0,0,1,1,0,0|1,0,1]=4 3443 B10R1.2 C=Cc1cccn(c1=O)C 271570a_100011290941_100000687173 [0,0,1,1,0,0|1,0,0]=3 3444 B10R1.20 C=Cc1ccccc1CO 271570a_100011290941_100000187465 [0,0,1,1,0,0|2,0,0]=4 3445 B10R1.20 C=Cc1ccccc1NC 271570a_100011290941_100020606079 [0,0,1,1,0,0|2,0,0]=4 3446 B10R1.20 C=Cc1ccccc1NC 34a_100012022501_200000210301 [0,0,1,1,0,0|2,0,0]=4 3447 B10R1.20 C=Cc1ccccc1NN 271570a_100011290941_100000241748 [0,0,1,1,0,0|2,0,0]=4 3448 B10R1.20 C=Cc1ccccc1N[13CH3] 34a_100012022501_200025704644 [0,0,1,1,0,0|2,0,0]=4 3449 B10R1.20 C=Cc1cccnc1CO 271570a_100011290941_100011996772 [0,0,1,1,0,0|2,0,0]=4 3450 B10R1.20 C=Cc1cccnc1NC 271570a_100011290941_100000700899 [0,0,1,1,0,0|2,0,0]=4 3451 B10R1.20 C=Cc1cccnc1NN 271570a_100011290941_100011464834 [0,0,1,1,0,0|2,0,0]=4 3452 B10R1.172 C=Cc1cccc(c1)CO 271570a_100011290941_100000687537 [0,0,1,1,0,0|2,0,0]=4 3453 B10R1.172 C=Cc1cccc(c1)NC 271570a_100011290941_100000219648 [0,0,1,1,0,0|2,0,0]=4 3454 B10R1.172 C=Cc1cccc(c1)NC 34a_100011827668_200000210301 [0,0,1,1,0,0|2,0,0]=4 3455 B10R1.172 C=Cc1cccc(c1)NN 271570a_100011290941_100000217339 [0,0,1,1,0,0|2,0,0]=4 3456 B10R1.172 C=Cc1cccc(c1)N[13CH3] 34a_100011827668_200025704644 [0,0,1,1,0,0|2,0,0]=4 3457 B10R1.172 C=Cc1cccc(n1)CO 271570a_100011290941_100000694195 [0,0,1,1,0,0|2,0,0]=4 3458 B10R1.172 C=Cc1cccc(n1)NC 271570a_100011290941_100000703281 [0,0,1,1,0,0|2,0,0]=4 3459 B10R1.172 C=Cc1cccc(n1)NN 271570a_100011290941_100009817029 [0,0,1,1,0,0|2,0,0]=4 3460 B12R2.18 Cc1oc2ccccc2c1O 271570a_203496583355_200010236113 [0,0,0,1,0,1|2,0,0]=4 3461 B12R2.18 Cc1sc2ccccc2c1O 271570a_203496583355_100010002616 [0,0,0,1,0,1|2,0,0]=4 3462 B12R2.18 Cn1c(nc2c1cccc2)O 271570a_203496583355_200000239431 [0,0,0,1,0,1|1,0,1]=4 3463 B12R2.32 CNc1nc2ccccc2[nH]1 27a_100102657272_100009814255 [0,0,0,1,0,1|2,0,0]=4 3464 B12R2.32 CNc1nc2ccccc2s1 27a_100102657272_100000751744 [0,0,0,1,0,1|1,1,0]=4 3465 B12R2.1 C=Cc1coc2c1cccc2 271570a_100011290941_100009812202 [0,1,0,1,0,0|2,0,0]=4 3466 B12R2.1 CSc1coc2c1cccc2 62a_200000210301_100009812202 [0,1,0,1,0,0|1,1,0]=4 3467 B12R2.1 CSc1noc2c1cccc2 62a_200000210301_200000703156 [0,1,0,1,0,0|0,1,1]=4 3468 B12R2.1 CSc1noc2c1cccc2 62a_200000703156_200000210301 [0,1,0,1,0,0|0,1,1]=4 3469 B12R2.1 [13CH3]Sc1coc2c1cccc2 62a_200025704644_100009812202 [0,1,0,1,0,0|1,1,0]=4 3470 B12R2.1 [13CH3]Sc1noc2c1cccc2 62a_200000703156_200025704644 [0,1,0,1,0,0|0,1,1]=4 3471 B12R2.1 [13CH3]Sc1noc2c1cccc2 62a_200025704644_200000703156 [0,1,0,1,0,0|0,1,1]=4 3472 B12R2.2 C1=C(CCO1)c2ccccc2 271570a_100000118173_100000210277 [0,1,0,1,0,0|2,0,0]=4 3473 B12R2.2 C1=C(COC1)c2ccccc2 271570a_100009872500_100000210277 [0,1,0,1,0,0|2,0,0]=4 3474 B12R2.2 c1ccc(cc1)c2c[nH]cn2 271570a_100011218836_100000756875 [0,1,0,1,0,0|2,0,0]=4 3475 B12R2.2 c1ccc(cc1)c2cc[nH]c2 271570a_100000102155_100000210277 [0,1,0,1,0,0|2,0,0]=4 3476 B12R2.2 c1ccc(cc1)c2cc[nH]n2 271570a_100000062414_100000210277 [0,1,0,1,0,0|2,0,0]=4 3477 B12R2.2 c1ccc(cc1)c2cc[nH]n2 271570a_100011218836_100000062575 [0,1,0,1,0,0|2,0,0]=4 3478 B12R2.2 c1ccc(cc1)c2ccoc2 271570a_100011218836_100011215275 [0,1,0,1,0,0|2,0,0]=4 3479 B12R2.2 c1ccc(cc1)c2ccoc2 271570a_100011218838_100000210277 [0,1,0,1,0,0|2,0,0]=4 3480 B12R2.2 c1ccc(cc1)c2cn[nH]c2 271570a_100000041997_100000210277 [0,1,0,1,0,0|2,0,0]=4 3481 B12R2.2 c1ccc(cc1)c2cn[nH]c2 271570a_100011218836_100000238712 [0,1,0,1,0,0|2,0,0]=4 3482 B12R2.2 c1ccc(cc1)c2cnoc2 271570a_100011218836_100009815712 [0,1,0,1,0,0|1,0,1]=4 3483 B12R2.2 c1ccc(cc1)c2nc[nH]n2 271570a_100011218836_100000761765 [0,1,0,1,0,0|2,0,0]=4 3484 B12R2.2 c1ccc(cc1)c2ncc[nH]2 271570a_100011218836_100025796157 [0,1,0,1,0,0|2,0,0]=4 3485 B12R2.2 c1ccc(cc1)c2ncc[nH]2 271570a_100016988920_100000210277 [0,1,0,1,0,0|2,0,0]=4 3486 B12R2.2028 Cn1nc(c2c1cccc2)O 271570a_203496583355_100009817141 [0,1,0,1,0,0|1,0,1]=4 3487 B12R2.612 Cc1coc2c1ccc(c2)O 271570a_203496583355_100010775837 [0,1,0,1,0,0|2,0,0]=4 3488 B12R2.612 Cc1noc2c1ccc(c2)O 271570a_203496583355_100009815287 [0,1,0,1,0,0|1,0,1]=4 3489 B12R2.612 Nc1noc2c1ccc(c2)O 271570a_203496583355_100012356334 [0,1,0,1,0,0|1,0,1]=4 3490 B12R2.612 O=C1C=Cc2c1ccc(c2)O 271570a_203496583355_100010210589 [0,1,0,1,0,0|2,0,0]=4 3491 B12R2.612 O=C1CCc2c1ccc(c2)O 271570a_203496583355_100000737041 [0,1,0,1,0,0|2,0,0]=4 3492 B12R2.612 O=C1COc2c1ccc(c2)O 271570a_203496583355_100000686717 [0,1,0,1,0,0|1,0,0]=3 3493 B12R2.612 O=C1NCc2c1ccc(c2)O 271570a_203496583355_100000692135 [0,1,0,1,0,0|1,0,0]=3 3494 B12R2.612 O=C1NCc2c1ccc(n2)O 271570a_203496583355_200009864240 [0,1,0,1,0,0|2,0,0]=4 3495 B12R2.612 O=C1OCc2c1ccc(c2)O 271570a_203496583355_100009816608 [0,1,0,1,0,0|2,0,0]=4 3496 B12R2.612 O=c1[nH][nH]c2c1ccc(c2)O 271570a_203496583355_100012353722 [0,1,0,1,0,0|1,0,0]=3 3497 B12R2.612 O=c1[nH][nH]c2c1cnc(c2)O 271570a_203496583355_100016039622 [0,1,0,1,0,0|2,0,0]=4 3498 B12R2.612 Oc1ccc2c(noc2c1)O 271570a_203496583355_100000727085 [0,1,0,1,0,0|0,0,2]=4 3499 B12R2.132 Cc1coc2c1cc(cc2)O 271570a_203496583355_100000728893 [0,1,0,1,0,0|2,0,0]=4 3500 B12R2.132 Cc1noc2c1cc(cc2)O 271570a_203496583355_100010196875 [0,1,0,1,0,0|1,0,1]=4 3501 B12R2.132 Nc1noc2c1cc(cc2)O 271570a_203496583355_100012356444 [0,1,0,1,0,0|1,0,1]=4 3502 B12R2.132 O=C1CCc2c1cc(cc2)O 271570a_203496583355_100000759401 [0,1,0,1,0,0|2,0,0]=4 3503 B12R2.132 O=C1COc2c1cc(cc2)O 271570a_203496583355_100000752586 [0,1,0,1,0,0|1,0,0]=3 3504 B12R2.132 O=C1NCc2c1cc(cc2)O 271570a_203496583355_100010171230 [0,1,0,1,0,0|1,0,0]=3 3505 B12R2.132 O=C1OCc2c1cc(cc2)O 271570a_203496583355_100000693025 [0,1,0,1,0,0|2,0,0]=4 3506 B12R2.132 O=c1[nH][nH]c2c1cc(cc2)O 271570a_203496583355_100012353726 [0,1,0,1,0,0|1,0,0]=3 3507 B12R2.132 O=c1[nH]nc2n1cc(cc2)O 271570a_203496583355_100010235869 [0,1,0,1,0,0|2,0,0]=4 3508 B12R2.132 O=c1[nH]oc2c1cc(cc2)O 271570a_203496583355_100000732257 [0,1,0,1,0,0|0,0,0]=2 3509 B12R2.196 Nc1noc2c1cccc2O 271570a_203496583355_100010069758 [0,1,0,1,0,0|1,0,1]=4 3510 B12R2.196 O=C1CCc2c1cccc2O 271570a_203496583355_100000744605 [0,1,0,1,0,0|2,0,0]=4 3511 B12R2.196 O=C1COc2c1cccc2O 271570a_203496583355_100011230590 [0,1,0,1,0,0|1,0,0]=3 3512 B12R2.196 O=C1NCc2c1cccc2O 271570a_203496583355_100000688282 [0,1,0,1,0,0|1,0,0]=3 3513 B12R2.196 O=C1OCc2c1cccc2O 271570a_203496583355_100010167076 [0,1,0,1,0,0|2,0,0]=4 3514 B12R2.196 O=c1[nH][nH]c2c1cccc2O 271570a_203496583355_100012199144 [0,1,0,1,0,0|1,0,0]=3 3515 B12R2.203 Nc1noc2c1c(ccc2)O 271570a_203496583355_100012361266 [0,1,0,1,0,0|1,0,1]=4 3516 B12R2.203 O=C1CCc2c1c(ccc2)O 271570a_203496583355_100009816781 [0,1,0,1,0,0|2,0,0]=4 3517 B12R2.203 O=C1COc2c1c(ccc2)O 271570a_203496583355_100010205902 [0,1,0,1,0,0|1,0,0]=3 3518 B12R2.203 O=C1NCc2c1c(ccc2)O 271570a_203496583355_100000724024 [0,1,0,1,0,0|1,0,0]=3 3519 B12R2.203 O=C1OCc2c1c(ccc2)O 271570a_203496583355_100010132333 [0,1,0,1,0,0|2,0,0]=4 3520 B12R2.203 O=c1[nH][nH]c2c1c(ccc2)O 271570a_203496583355_100010170957 [0,1,0,1,0,0|1,0,0]=3 3521 B12R1.27 C#CC(=O)CCc1ccccc1 1458a_100000211873_100000765856 [0,0,0,0,0,2|2,0,0]=4 3522 B12R1.27 C=CC(=O)CCc1ccccc1 1458a_100000185746_100000765856 [0,0,0,0,0,2|2,0,0]=4 3523 B12R1.27 C=CC(=O)NCc1ccccc1 1626a_100015324214_100000185746 [0,0,0,0,0,2|2,0,0]=4 3524 B12R1.27 C=CC(=O)NCc1ccccc1 240690a_100015324214_200121576911 [0,0,0,0,0,2|2,0,0]=4 3525 B12R1.27 C=CC(=O)NNc1ccccc1 22a_100015195140_100000185746 [0,0,0,0,0,2|2,0,0]=4 3526 B12R1.27 CC(=NNc1ccccc1)CO 4a_100015195140_100000211253 [0,0,0,0,0,2|2,0,0]=4 3527 B12R1.27 CCC(=O)C#Cc1ccccc1 1458a_100000736102_100000210202 [0,0,0,0,0,2|2,0,0]=4 3528 B12R1.27 CCC(=O)C=Cc1ccccc1 1458a_100000210462_100000210202 [0,0,0,0,0,2|2,0,0]=4 3529 B12R1.27 CCC(=O)CCc1ccccc1 1458a_100000185753_100000210202 [0,0,0,0,0,2|2,0,0]=4 3530 B12R1.27 CCC(=O)CCc1ccccc1 1458a_100000210414_100000765856 [0,0,0,0,0,2|2,0,0]=4 3531 B12R1.27 CCC(=O)COc1ccccc1 1458a_100000186222_100000210202 [0,0,0,0,0,2|2,0,0]=4 3532 B12R1.27 CCC(=O)COc1ccccc1 7a_100000210340_100000747405 [0,0,0,0,0,2|2,0,0]=4 3533 B12R1.27 CCC(=O)CSc1ccccc1 1458a_100000211596_100000210202 [0,0,0,0,0,2|2,0,0]=4 3534 B12R1.27 CCC(=O)CSc1ccccc1 62a_100000719477_100000747405 [0,0,0,0,0,2|2,0,0]=4 3535 B12R1.27 CCC(=O)CSc1ccccc1 62a_100000747405_100000041952 [0,0,0,0,0,2|2,0,0]=4 3536 B12R1.27 CCC(=O)NCc1ccccc1 11a_100015324214_100000210414 [0,0,0,0,0,2|2,0,0]=4 3537 B12R1.27 CCC(=O)NCc1ccccc1 1626a_100015324214_100000210414 [0,0,0,0,0,2|2,0,0]=4 3538 B12R1.27 CCC(=O)NCc1ccccc1 240690a_100015324214_100000210414 [0,0,0,0,0,2|2,0,0]=4 3539 B12R1.27 CCC(=O)NCc1ccccc1 527a_100015324214_100000210414 [0,0,0,0,0,2|2,0,0]=4 3540 B12R1.27 CCC(=O)NNc1ccccc1 22a_100015195140_100000210414 [0,0,0,0,0,2|2,0,0]=4 3541 B12R1.27 CNC(=O)C#Cc1ccccc1 240690a_100102657272_100000736102 [0,0,0,0,0,2|1,0,0]=3 3542 B12R1.27 CNC(=O)C=Cc1ccccc1 11a_106832991635_100000210462 [0,0,0,0,0,2|1,0,0]=3 3543 B12R1.27 CNC(=O)C=Cc1ccccc1 1626a_100102657272_100000210462 [0,0,0,0,0,2|1,0,0]=3 3544 B12R1.27 CNC(=O)C=Cc1ccccn1 11a_106832991635_100000740811 [0,0,0,0,0,2|2,0,0]=4 3545 B12R1.27 CNC(=O)C=Cc1ccccn1 240690a_100102657272_100000740811 [0,0,0,0,0,2|2,0,0]=4 3546 B12R1.27 CNC(=O)C=Cc1cccnc1 11a_106832991635_100000735890 [0,0,0,0,0,2|2,0,0]=4 3547 B12R1.27 CNC(=O)C=Cc1cccnc1 240690a_100102657272_100000735890 [0,0,0,0,0,2|2,0,0]=4 3548 B12R1.27 CNC(=O)C=Cc1ccncc1 240690a_100102657272_100000682801 [0,0,0,0,0,2|2,0,0]=4 3549 B12R1.27 CNC(=O)CCc1ccccc1 11a_106832991635_100000185753 [0,0,0,0,0,2|1,0,0]=3 3550 B12R1.27 CNC(=O)CCc1ccccc1 1626a_100102657272_100000185753 [0,0,0,0,0,2|1,0,0]=3 3551 B12R1.27 CNC(=O)CCc1ccccc1 240690a_100102657272_100000185753 [0,0,0,0,0,2|1,0,0]=3 3552 B12R1.27 CNC(=O)CCc1ccccc1 527a_100102657272_100000185753 [0,0,0,0,0,2|1,0,0]=3 3553 B12R1.27 CNC(=O)CCc1ccccn1 11a_106832991635_100015195070 [0,0,0,0,0,2|2,0,0]=4 3554 B12R1.27 CNC(=O)CCc1ccccn1 240690a_100102657272_100015195070 [0,0,0,0,0,2|2,0,0]=4 3555 B12R1.27 CNC(=O)CCc1ccccn1 527a_100102657272_100015195070 [0,0,0,0,0,2|2,0,0]=4 3556 B12R1.27 CNC(=O)CCc1cccnc1 11a_106832991635_100000198484 [0,0,0,0,0,2|2,0,0]=4 3557 B12R1.27 CNC(=O)CCc1cccnc1 1626a_100102657272_100000198484 [0,0,0,0,0,2|2,0,0]=4 3558 B12R1.27 CNC(=O)CCc1cccnc1 240690a_100102657272_100000198484 [0,0,0,0,0,2|2,0,0]=4 3559 B12R1.27 CNC(=O)CCc1cccnc1 527a_100102657272_100000198484 [0,0,0,0,0,2|2,0,0]=4 3560 B12R1.27 CNC(=O)CCc1ccncc1 11a_106832991635_100011225043 [0,0,0,0,0,2|2,0,0]=4 3561 B12R1.27 CNC(=O)CCc1ccncc1 240690a_100102657272_100011225043 [0,0,0,0,0,2|2,0,0]=4 3562 B12R1.27 CNC(=O)CCc1ccncc1 527a_100102657272_100011225043 [0,0,0,0,0,2|2,0,0]=4 3563 B12R1.27 CNC(=O)CNc1ccccc1 34a_100000106764_100000183359 [0,0,0,0,0,2|1,0,0]=3 3564 B12R1.27 CNC(=O)COc1ccccc1 11a_106832991635_100000186222 [0,0,0,0,0,2|1,0,0]=3 3565 B12R1.27 CNC(=O)COc1ccccc1 1626a_100102657272_100000186222 [0,0,0,0,0,2|1,0,0]=3 3566 B12R1.27 CNC(=O)COc1ccccc1 240690a_100102657272_100000186222 [0,0,0,0,0,2|1,0,0]=3 3567 B12R1.27 CNC(=O)COc1ccccc1 34a_100000210340_100000183359 [0,0,0,0,0,2|1,0,0]=3 3568 B12R1.27 CNC(=O)COc1ccccc1 527a_100102657272_100000186222 [0,0,0,0,0,2|1,0,0]=3 3569 B12R1.27 CNC(=O)COc1ccccc1 7a_100000210340_100000183359 [0,0,0,0,0,2|1,0,0]=3 3570 B12R1.27 CNC(=O)COc1ccccn1 1626a_100102657272_100102699861 [0,0,0,0,0,2|2,0,0]=4 3571 B12R1.27 CNC(=O)COc1ccccn1 240690a_100102657272_100102699861 [0,0,0,0,0,2|2,0,0]=4 3572 B12R1.27 CNC(=O)COc1ccccn1 527a_100102657272_100102699861 [0,0,0,0,0,2|2,0,0]=4 3573 B12R1.27 CNC(=O)COc1cccnc1 11a_106832991635_100015207166 [0,0,0,0,0,2|2,0,0]=4 3574 B12R1.27 CNC(=O)COc1cccnc1 1626a_100102657272_100015207166 [0,0,0,0,0,2|2,0,0]=4 3575 B12R1.27 CNC(=O)COc1cccnc1 240690a_100102657272_100015207166 [0,0,0,0,0,2|2,0,0]=4 3576 B12R1.27 CNC(=O)COc1cccnc1 34a_100000210849_100000183359 [0,0,0,0,0,2|2,0,0]=4 3577 B12R1.27 CNC(=O)COc1cccnc1 527a_100102657272_100015207166 [0,0,0,0,0,2|2,0,0]=4 3578 B12R1.27 CNC(=O)COc1cccnc1 7a_100000210849_100000183359 [0,0,0,0,0,2|2,0,0]=4 3579 B12R1.27 CNC(=O)COc1ccncc1 34a_100000212176_100000183359 [0,0,0,0,0,2|2,0,0]=4 3580 B12R1.27 CNC(=O)CSc1ccccc1 11a_106832991635_100000211596 [0,0,0,0,0,2|1,0,0]=3 3581 B12R1.27 CNC(=O)CSc1ccccc1 1626a_100102657272_100000211596 [0,0,0,0,0,2|1,0,0]=3 3582 B12R1.27 CNC(=O)CSc1ccccc1 240690a_100102657272_100000211596 [0,0,0,0,0,2|1,0,0]=3 3583 B12R1.27 CNC(=O)CSc1ccccc1 527a_100102657272_100000211596 [0,0,0,0,0,2|1,0,0]=3 3584 B12R1.27 CNC(=O)CSc1ccccc1 62a_100000183359_100000041952 [0,0,0,0,0,2|1,0,0]=3 3585 B12R1.27 CNC(=O)CSc1ccccc1 62a_100000719477_100000183359 [0,0,0,0,0,2|1,0,0]=3 3586 B12R1.27 CNC(=O)CSc1ccccn1 11a_106832991635_100000156281 [0,0,0,0,0,2|2,0,0]=4 3587 B12R1.27 CNC(=O)CSc1ccccn1 240690a_100102657272_100000156281 [0,0,0,0,0,2|2,0,0]=4 3588 B12R1.27 CNC(=O)CSc1ccccn1 527a_100102657272_100000156281 [0,0,0,0,0,2|2,0,0]=4 3589 B12R1.27 CNC(=O)CSc1ccccn1 62a_100000183359_100011216584 [0,0,0,0,0,2|2,0,0]=4 3590 B12R1.27 CNC(=O)CSc1ccccn1 62a_100011216584_100000183359 [0,0,0,0,0,2|2,0,0]=4 3591 B12R1.27 CNC(=O)CSc1cccnc1 62a_100000183359_100000210063 [0,0,0,0,0,2|2,0,0]=4 3592 B12R1.27 CNC(=O)CSc1cccnc1 62a_100000210063_100000183359 [0,0,0,0,0,2|2,0,0]=4 3593 B12R1.27 CNC(=O)CSc1ccncc1 11a_106832991635_100000211328 [0,0,0,0,0,2|2,0,0]=4 3594 B12R1.27 CNC(=O)CSc1ccncc1 1626a_100102657272_100000211328 [0,0,0,0,0,2|2,0,0]=4 3595 B12R1.27 CNC(=O)CSc1ccncc1 240690a_100102657272_100000211328 [0,0,0,0,0,2|2,0,0]=4 3596 B12R1.27 CNC(=O)CSc1ccncc1 527a_100102657272_100000211328 [0,0,0,0,0,2|2,0,0]=4 3597 B12R1.27 CNC(=O)CSc1ccncc1 62a_100000183359_100000728582 [0,0,0,0,0,2|2,0,0]=4 3598 B12R1.27 CNC(=O)CSc1ccncc1 62a_100000728582_100000183359 [0,0,0,0,0,2|2,0,0]=4 3599 B12R1.27 CNC(=O)NCc1ccccc1 2708a_100015324214_106832991635 [0,0,0,0,0,2|1,0,0]=3 3600 B12R1.27 CNC(=O)NCc1ccccc1 2708a_100102657272_100015324214 [0,0,0,0,0,2|1,0,0]=3 3601 B12R1.27 CNC(=O)NCc1ccccc1 273464a_100015324214_100102657272 [0,0,0,0,0,2|1,0,0]=3 3602 B12R1.27 CNC(=O)NCc1ccccc1 273464a_100102657272_100015324214 [0,0,0,0,0,2|1,0,0]=3 3603 B12R1.27 CNC(=O)NCc1ccccc1 512a_100015324214_100102657272 [0,0,0,0,0,2|1,0,0]=3 3604 B12R1.27 CNC(=O)NCc1ccccc1 512a_106832991638_100015324214 [0,0,0,0,0,2|1,0,0]=3 3605 B12R1.27 CNC(=O)NCc1ccccn1 2708a_100000210449_106832991635 [0,0,0,0,0,2|2,0,0]=4 3606 B12R1.27 CNC(=O)NCc1ccccn1 2708a_100102657272_100000210449 [0,0,0,0,0,2|2,0,0]=4 3607 B12R1.27 CNC(=O)NCc1ccccn1 273464a_100000210449_100102657272 [0,0,0,0,0,2|2,0,0]=4 3608 B12R1.27 CNC(=O)NCc1ccccn1 273464a_100102657272_100000210449 [0,0,0,0,0,2|2,0,0]=4 3609 B12R1.27 CNC(=O)NCc1ccccn1 512a_106832991638_100000210449 [0,0,0,0,0,2|2,0,0]=4 3610 B12R1.27 CNC(=O)NCc1cccnc1 2708a_100000210453_106832991635 [0,0,0,0,0,2|2,0,0]=4 3611 B12R1.27 CNC(=O)NCc1cccnc1 2708a_100102657272_100000210453 [0,0,0,0,0,2|2,0,0]=4 3612 B12R1.27 CNC(=O)NCc1cccnc1 273464a_100000210453_100102657272 [0,0,0,0,0,2|2,0,0]=4 3613 B12R1.27 CNC(=O)NCc1cccnc1 273464a_100102657272_100000210453 [0,0,0,0,0,2|2,0,0]=4 3614 B12R1.27 CNC(=O)NCc1cccnc1 512a_100000210453_100102657272 [0,0,0,0,0,2|2,0,0]=4 3615 B12R1.27 CNC(=O)NCc1cccnc1 512a_106832991638_100000210453 [0,0,0,0,0,2|2,0,0]=4 3616 B12R1.27 CNC(=O)NCc1ccncc1 2708a_100000210450_106832991635 [0,0,0,0,0,2|2,0,0]=4 3617 B12R1.27 CNC(=O)NCc1ccncc1 2708a_100102657272_100000210450 [0,0,0,0,0,2|2,0,0]=4 3618 B12R1.27 CNC(=O)NCc1ccncc1 273464a_100000210450_100102657272 [0,0,0,0,0,2|2,0,0]=4 3619 B12R1.27 CNC(=O)NCc1ccncc1 273464a_100102657272_100000210450 [0,0,0,0,0,2|2,0,0]=4 3620 B12R1.27 CNC(=O)NCc1ccncc1 512a_106832991638_100000210450 [0,0,0,0,0,2|2,0,0]=4 3621 B12R1.27 CNC(=O)NNc1ccccc1 273464a_100102657272_100015195140 [0,0,0,0,0,2|1,0,0]=3 3622 B12R1.27 CNC(=O)NNc1ccccc1 512a_106832991638_100015195140 [0,0,0,0,0,2|1,0,0]=3 3623 B12R1.27 CNC(=O)NNc1ccccn1 273464a_100102657272_100000183288 [0,0,0,0,0,2|2,0,0]=4 3624 B12R1.27 CNC(=O)NNc1ccccn1 512a_106832991638_100000183288 [0,0,0,0,0,2|2,0,0]=4 3625 B12R1.27 CNC(=O)NNc1cccnc1 273464a_100102657272_100000728903 [0,0,0,0,0,2|2,0,0]=4 3626 B12R1.27 CNC(=O)NNc1cccnc1 512a_106832991638_100000728903 [0,0,0,0,0,2|2,0,0]=4 3627 B12R1.27 CNC(=O)NNc1ccncc1 273464a_100102657272_100000698918 [0,0,0,0,0,2|2,0,0]=4 3628 B12R1.27 CNC(=O)NNc1ccncc1 512a_106832991638_100000698918 [0,0,0,0,0,2|2,0,0]=4 3629 B12R1.27 COC(=O)CNc1ccccc1 34a_100000106764_100000747449 [0,0,0,0,0,2|2,0,0]=4 3630 B12R1.27 COC(=O)COc1ccccc1 34a_100000210340_100000747449 [0,0,0,0,0,2|2,0,0]=4 3631 B12R1.27 COC(=O)COc1ccccc1 7a_100000210340_100000747449 [0,0,0,0,0,2|2,0,0]=4 3632 B12R1.27 COC(=O)CSc1ccccc1 62a_100000719477_100000747449 [0,0,0,0,0,2|2,0,0]=4 3633 B12R1.27 COC(=O)CSc1ccccc1 62a_100000747449_100000041952 [0,0,0,0,0,2|2,0,0]=4 3634 B12R1.27 O=C(C#Cc1ccccc1)CF 1458a_100000736102_100015361967 [0,0,0,0,0,2|2,0,0]=4 3635 B12R1.27 O=C(C=Cc1ccccc1)CF 1458a_100000210462_100015361967 [0,0,0,0,0,2|2,0,0]=4 3636 B12R1.27 O=C(CF)CCc1ccccc1 1458a_100000185753_100015361967 [0,0,0,0,0,2|2,0,0]=4 3637 B12R1.27 O=C(CF)COc1ccccc1 1458a_100000186222_100015361967 [0,0,0,0,0,2|2,0,0]=4 3638 B12R1.27 O=C(CF)CSc1ccccc1 1458a_100000211596_100015361967 [0,0,0,0,0,2|2,0,0]=4 3639 B12R1.27 O=C(CO)CCc1ccccc1 1458a_100000210174_100000765856 [0,0,0,0,0,2|1,0,0]=3 3640 B12R1.27 O=C(CO)CCc1ccccn1 1458a_100000210174_100015183660 [0,0,0,0,0,2|2,0,0]=4 3641 B12R1.27 O=C(CO)CCc1cccnc1 1458a_100000210174_200011713674 [0,0,0,0,0,2|2,0,0]=4 3642 B12R1.27 O=C(CO)CCc1ccncc1 1458a_100000210174_100000723409 [0,0,0,0,0,2|2,0,0]=4 3643 B12R1.27 O=C(CO)NCc1ccccc1 240690a_100015324214_100000210174 [0,0,0,0,0,2|1,0,0]=3 3644 B12R1.27 O=C(CO)NCc1ccccc1 527a_100015324214_100000210174 [0,0,0,0,0,2|1,0,0]=3 3645 B12R1.27 O=C(CO)NCc1ccccn1 240690a_100000210449_100000210174 [0,0,0,0,0,2|2,0,0]=4 3646 B12R1.27 O=C(CO)NCc1ccccn1 527a_100000210449_100000210174 [0,0,0,0,0,2|2,0,0]=4 3647 B12R1.27 O=C(CO)NCc1cccnc1 240690a_100000210453_100000210174 [0,0,0,0,0,2|2,0,0]=4 3648 B12R1.27 O=C(CO)NCc1cccnc1 527a_100000210453_100000210174 [0,0,0,0,0,2|2,0,0]=4 3649 B12R1.27 O=C(CO)NCc1ccncc1 240690a_100000210450_100000210174 [0,0,0,0,0,2|2,0,0]=4 3650 B12R1.27 O=C(CO)NCc1ccncc1 527a_100000210450_100000210174 [0,0,0,0,0,2|2,0,0]=4 3651 B12R1.27 O=C(CO)NNc1ccccc1 22a_100015195140_100000210174 [0,0,0,0,0,2|1,0,0]=3 3652 B12R1.27 O=C(CO)NNc1ccccn1 22a_100000183288_100000210174 [0,0,0,0,0,2|2,0,0]=4 3653 B12R1.27 O=C(CO)NNc1cccnc1 22a_100000728903_100000210174 [0,0,0,0,0,2|2,0,0]=4 3654 B12R1.27 O=C(CO)NNc1ccncc1 22a_100000698918_100000210174 [0,0,0,0,0,2|2,0,0]=4