0 B10R1.17 C#CCNc1ccccc1 34a_100000106764_100000184674 [0,0,0,0,0,0|2,0,2]=4 1 B10R1.17 C#CCOc1ccccc1 34a_100000210340_100000184674 [0,0,0,0,0,0|2,0,2]=4 2 B10R1.17 C#CCOc1ccccc1 7a_100000210340_100000038162 [0,0,0,0,0,0|2,0,2]=4 3 B10R1.17 C#CCSc1ccccc1 62a_100000038162_100000041952 [0,0,0,0,0,0|2,0,2]=4 4 B10R1.17 C=CCNc1ccccc1 34a_100000106764_100015514636 [0,0,0,0,0,0|2,0,1]=3 5 B10R1.17 C=CCOc1ccccc1 34a_100000210340_100015514636 [0,0,0,0,0,0|2,0,1]=3 6 B10R1.17 C=CCOc1ccccc1 7a_100000210340_100015514636 [0,0,0,0,0,0|2,0,1]=3 7 B10R1.17 C=CCOc1cccnc1 34a_100000210849_100015514636 [0,0,0,0,0,0|3,0,1]=4 8 B10R1.17 C=CCOc1cccnc1 7a_100000210849_100015514636 [0,0,0,0,0,0|3,0,1]=4 9 B10R1.17 C=CCOc1ccncc1 34a_100000212176_100015514636 [0,0,0,0,0,0|3,0,1]=4 10 B10R1.17 C=CCSc1ccccc1 62a_100000210623_100000041952 [0,0,0,0,0,0|2,0,1]=3 11 B10R1.17 C=CCSc1ccccc1 62a_100000719477_100000210623 [0,0,0,0,0,0|2,0,1]=3 12 B10R1.17 C=CCSc1ccccn1 62a_100000210623_100011216584 [0,0,0,0,0,0|3,0,1]=4 13 B10R1.17 C=CCSc1ccccn1 62a_100011216584_100000210623 [0,0,0,0,0,0|3,0,1]=4 14 B10R1.17 C=CCSc1cccnc1 62a_100000210063_100000210623 [0,0,0,0,0,0|3,0,1]=4 15 B10R1.17 C=CCSc1cccnc1 62a_100000210623_100000210063 [0,0,0,0,0,0|3,0,1]=4 16 B10R1.17 C=CCSc1ccncc1 62a_100000210623_100000728582 [0,0,0,0,0,0|3,0,1]=4 17 B10R1.17 C=CCSc1ccncc1 62a_100000728582_100000210623 [0,0,0,0,0,0|3,0,1]=4 18 B10R1.17 CC=NNc1ccccc1 4a_100015195140_200000210099 [0,0,0,0,0,0|3,0,0]=3 19 B10R1.17 CC=NNc1ccccn1 4a_100000183288_200000210099 [0,0,0,0,0,0|4,0,0]=4 20 B10R1.17 CC=NNc1cccnc1 4a_100000728903_200000210099 [0,0,0,0,0,0|4,0,0]=4 21 B10R1.17 CC=NNc1ccncc1 4a_100000698918_200000210099 [0,0,0,0,0,0|4,0,0]=4 22 B10R1.17 CCCCc1ccccc1 271570a_100020621405_100000210277 [0,0,0,0,0,0|1,0,3]=4 23 B10R1.17 CCCNc1ccccc1 34a_100000106764_100000210303 [0,0,0,0,0,0|2,0,2]=4 24 B10R1.17 CCCOc1ccccc1 34a_100000210340_100000210303 [0,0,0,0,0,0|2,0,2]=4 25 B10R1.17 CCCOc1ccccc1 7a_100000210340_100000210303 [0,0,0,0,0,0|2,0,2]=4 26 B10R1.17 CCCSc1ccccc1 62a_100000210303_100000041952 [0,0,0,0,0,0|2,0,2]=4 27 B10R1.17 CCCSc1ccccc1 62a_100000719477_100000210303 [0,0,0,0,0,0|2,0,2]=4 28 B10R1.17 CCNCc1ccccc1 207a_100015525214_100015611070 [0,0,0,0,0,0|2,0,2]=4 29 B10R1.17 CCNCc1ccccc1 2230a_100015324214_100000210202 [0,0,0,0,0,0|2,0,2]=4 30 B10R1.17 CCNCc1ccccc1 2230a_100015525214_100015291786 [0,0,0,0,0,0|2,0,2]=4 31 B10R1.17 CCNCc1ccccc1 270004a_100015525214_100015611070 [0,0,0,0,0,0|2,0,2]=4 32 B10R1.17 CCNCc1ccccc1 34a_100015324214_100000210202 [0,0,0,0,0,0|2,0,2]=4 33 B10R1.17 CCOCc1ccccc1 34a_100000210790_100000210202 [0,0,0,0,0,0|2,0,2]=4 34 B10R1.17 CCOCc1ccccc1 34a_100121572206_100015291786 [0,0,0,0,0,0|2,0,2]=4 35 B10R1.17 CCOCc1ccccc1 7a_100000210790_100000210202 [0,0,0,0,0,0|2,0,2]=4 36 B10R1.17 CCSCc1ccccc1 62a_100000210202_100015291786 [0,0,0,0,0,0|2,0,2]=4 37 B10R1.17 CCSCc1ccccc1 62a_100000211182_100000210202 [0,0,0,0,0,0|2,0,2]=4 38 B10R1.17 CNCCc1ccccc1 2230a_100000106460_200000210301 [0,0,0,0,0,0|2,0,2]=4 39 B10R1.17 CNCCc1ccccc1 2230a_106832991635_100000765856 [0,0,0,0,0,0|2,0,2]=4 40 B10R1.17 CNCCc1ccccc1 34a_100000106460_200000210301 [0,0,0,0,0,0|2,0,2]=4 41 B10R1.17 CNCCc1ccccc1 34a_100102657272_100000765856 [0,0,0,0,0,0|2,0,2]=4 42 B10R1.17 CNCCc1ccccc1 7a_106832991635_100000765856 [0,0,0,0,0,0|2,0,2]=4 43 B10R1.17 CNCSc1ccccc1 2230a_106832991635_100011218342 [0,0,0,0,0,0|3,0,1]=4 44 B10R1.17 COCCc1ccccc1 34a_100000210268_200000210301 [0,0,0,0,0,0|2,0,2]=4 45 B10R1.17 COCCc1ccccc1 34a_100138415774_100000765856 [0,0,0,0,0,0|2,0,2]=4 46 B10R1.17 COCCc1ccccc1 7a_100000210268_200000210301 [0,0,0,0,0,0|2,0,2]=4 47 B10R1.17 COCSc1ccccc1 62a_100000719477_100000766300 [0,0,0,0,0,0|3,0,1]=4 48 B10R1.17 COCSc1ccccc1 62a_100000766300_100000041952 [0,0,0,0,0,0|3,0,1]=4 49 B10R1.17 CSCCc1ccccc1 62a_100000765856_200000210301 [0,0,0,0,0,0|2,0,2]=4 50 B10R1.17 CSCCc1ccccc1 62a_200000210301_100011218657 [0,0,0,0,0,0|2,0,2]=4 51 B10R1.17 CSCNc1ccccc1 34a_100000106764_100011218213 [0,0,0,0,0,0|3,0,1]=4 52 B10R1.17 CSCOc1ccccc1 34a_100000210340_100011218213 [0,0,0,0,0,0|3,0,1]=4 53 B10R1.17 CSCSc1ccccc1 62a_100000719477_100011218213 [0,0,0,0,0,0|3,0,1]=4 54 B10R1.17 CSCSc1ccccc1 62a_100011218213_100000041952 [0,0,0,0,0,0|3,0,1]=4 55 B10R1.17 CSCSc1ccccc1 62a_100011218342_200000210301 [0,0,0,0,0,0|3,0,1]=4 56 B10R1.17 CSCSc1ccccc1 62a_200000210301_100011218342 [0,0,0,0,0,0|3,0,1]=4 57 B10R1.17 FCCNc1ccccc1 34a_100000106764_100011217306 [0,0,0,0,0,0|2,0,2]=4 58 B10R1.17 FCCOc1ccccc1 34a_100000210340_100011217306 [0,0,0,0,0,0|2,0,2]=4 59 B10R1.17 FCCOc1ccccc1 7a_100000210340_100011217306 [0,0,0,0,0,0|2,0,2]=4 60 B10R1.17 FCCSc1ccccc1 62a_100000719477_100011217306 [0,0,0,0,0,0|2,0,2]=4 61 B10R1.17 FCCSc1ccccc1 62a_100011217306_100000041952 [0,0,0,0,0,0|2,0,2]=4 62 B10R1.17 FCNCc1ccccc1 34a_100015324214_100015361967 [0,0,0,0,0,0|2,0,2]=4 63 B10R1.17 FCOCc1ccccc1 34a_100000210790_100015361967 [0,0,0,0,0,0|2,0,2]=4 64 B10R1.17 FCOCc1ccccc1 7a_100000210790_100015361967 [0,0,0,0,0,0|2,0,2]=4 65 B10R1.17 FCSCc1ccccc1 62a_100000211182_100015361967 [0,0,0,0,0,0|2,0,2]=4 66 B10R1.17 FCSCc1ccccc1 62a_100015361967_100015291786 [0,0,0,0,0,0|2,0,2]=4 67 B10R1.17 N#CCOc1ccccc1 7a_100000210340_100011215382 [0,0,0,0,0,0|2,0,2]=4 68 B10R1.17 N#CCSc1ccccc1 62a_100000719477_100011215382 [0,0,0,0,0,0|2,0,2]=4 69 B10R1.17 N#CCSc1ccccc1 62a_100011215382_100000041952 [0,0,0,0,0,0|2,0,2]=4 70 B10R1.17 O=CCNc1ccccc1 34a_100000106764_200009817547 [0,0,0,0,0,0|1,0,1]=2 71 B10R1.17 O=CCOc1ccccc1 34a_100000210340_200009817547 [0,0,0,0,0,0|1,0,1]=2 72 B10R1.17 O=CCOc1ccccc1 7a_100000210340_200015260668 [0,0,0,0,0,0|1,0,1]=2 73 B10R1.17 O=CCOc1cccnc1 34a_100000210849_200009817547 [0,0,0,0,0,0|2,0,1]=3 74 B10R1.17 O=CCOc1cccnc1 7a_100000210849_200015260668 [0,0,0,0,0,0|2,0,1]=3 75 B10R1.17 O=CCOc1ccncc1 34a_100000212176_200009817547 [0,0,0,0,0,0|2,0,1]=3 76 B10R1.17 O=CCOc1ccnnc1 34a_100015204005_200009817547 [0,0,0,0,0,0|3,0,1]=4 77 B10R1.17 O=CCOc1cncnc1 7a_100000754086_200015260668 [0,0,0,0,0,0|3,0,1]=4 78 B10R1.17 O=CCSc1ccccc1 62a_100000719477_200015260668 [0,0,0,0,0,0|1,0,1]=2 79 B10R1.17 O=CCSc1ccccc1 62a_200015260668_100000041952 [0,0,0,0,0,0|1,0,1]=2 80 B10R1.17 O=CCSc1ccccn1 62a_100011216584_200015260668 [0,0,0,0,0,0|2,0,1]=3 81 B10R1.17 O=CCSc1ccccn1 62a_200015260668_100011216584 [0,0,0,0,0,0|2,0,1]=3 82 B10R1.17 O=CCSc1cccnc1 62a_100000210063_200015260668 [0,0,0,0,0,0|2,0,1]=3 83 B10R1.17 O=CCSc1cccnc1 62a_200015260668_100000210063 [0,0,0,0,0,0|2,0,1]=3 84 B10R1.17 O=CCSc1cccnn1 62a_100016991348_200015260668 [0,0,0,0,0,0|3,0,1]=4 85 B10R1.17 O=CCSc1cccnn1 62a_200015260668_100016991348 [0,0,0,0,0,0|3,0,1]=4 86 B10R1.17 O=CCSc1ccncc1 62a_100000728582_200015260668 [0,0,0,0,0,0|2,0,1]=3 87 B10R1.17 O=CCSc1ccncc1 62a_200015260668_100000728582 [0,0,0,0,0,0|2,0,1]=3 88 B10R1.17 O=CCSc1ccncn1 62a_100000703185_200015260668 [0,0,0,0,0,0|3,0,1]=4 89 B10R1.17 O=CCSc1ccncn1 62a_200015260668_100000703185 [0,0,0,0,0,0|3,0,1]=4 90 B10R1.17 O=CCSc1ccnnc1 62a_100000732662_200015260668 [0,0,0,0,0,0|3,0,1]=4 91 B10R1.17 O=CCSc1ccnnc1 62a_200015260668_100000732662 [0,0,0,0,0,0|3,0,1]=4 92 B10R1.17 O=CCSc1cnccn1 62a_100000211759_200015260668 [0,0,0,0,0,0|3,0,1]=4 93 B10R1.17 O=CCSc1cnccn1 62a_200015260668_100000211759 [0,0,0,0,0,0|3,0,1]=4 94 B10R1.17 O=CCSc1cncnc1 62a_100011206942_200015260668 [0,0,0,0,0,0|3,0,1]=4 95 B10R1.17 O=CCSc1cncnc1 62a_200015260668_100011206942 [0,0,0,0,0,0|3,0,1]=4 96 B10R1.17 O=CCSc1ncccn1 62a_100000211032_200015260668 [0,0,0,0,0,0|3,0,1]=4 97 B10R1.17 O=CCSc1ncccn1 62a_200015260668_100000211032 [0,0,0,0,0,0|3,0,1]=4 98 B10R1.17 OCCNc1ccccc1 34a_100000106764_100000211926 [0,0,0,0,0,0|1,0,3]=4 99 B10R1.17 OCCOc1ccccc1 34a_100000210340_100000211926 [0,0,0,0,0,0|1,0,3]=4 100 B10R1.17 OCCOc1ccccc1 7a_100000210340_100000211926 [0,0,0,0,0,0|1,0,3]=4 101 B10R1.17 OCCSc1ccccc1 62a_100000211926_100000041952 [0,0,0,0,0,0|1,0,3]=4 102 B10R1.17 OCCSc1ccccc1 62a_100000719477_100000211926 [0,0,0,0,0,0|1,0,3]=4 103 B10R1.17 [13CH3]NCCc1ccccc1 2230a_100000106460_200025704644 [0,0,0,0,0,0|2,0,2]=4 104 B10R1.17 [13CH3]NCCc1ccccc1 34a_100000106460_200025704644 [0,0,0,0,0,0|2,0,2]=4 105 B10R1.17 [13CH3]OCCc1ccccc1 34a_100000210268_200025704644 [0,0,0,0,0,0|2,0,2]=4 106 B10R1.17 [13CH3]OCCc1ccccc1 7a_100000210268_200025704644 [0,0,0,0,0,0|2,0,2]=4 107 B10R1.17 [13CH3]SCCc1ccccc1 62a_100000765856_200025704644 [0,0,0,0,0,0|2,0,2]=4 108 B10R1.17 [13CH3]SCCc1ccccc1 62a_200025704644_100011218657 [0,0,0,0,0,0|2,0,2]=4 109 B10R1.17 [13CH3]SCSc1ccccc1 62a_100011218342_200025704644 [0,0,0,0,0,0|3,0,1]=4 110 B10R1.17 [13CH3]SCSc1ccccc1 62a_200025704644_100011218342 [0,0,0,0,0,0|3,0,1]=4 111 B9R1.8 C=C=Cc1ccccc1 271570a_100015277604_100000210277 [1,0,0,0,0,0|0,0,1]=2 112 B9R1.8 C=C=Cc1ccccn1 271570a_100015277604_100011216584 [1,0,0,0,0,0|1,0,1]=3 113 B9R1.8 C=C=Cc1cccnc1 271570a_100015277604_100000752921 [1,0,0,0,0,0|1,0,1]=3 114 B9R1.8 C=C=Cc1cccnn1 271570a_100015277604_100016991348 [1,0,0,0,0,0|2,0,1]=4 115 B9R1.8 C=C=Cc1ccncc1 271570a_100015277604_100000035832 [1,0,0,0,0,0|1,0,1]=3 116 B9R1.8 C=C=Cc1ccncn1 271570a_100015277604_100000703185 [1,0,0,0,0,0|2,0,1]=4 117 B9R1.8 C=C=Cc1ccnnc1 271570a_100015277604_100000732662 [1,0,0,0,0,0|2,0,1]=4 118 B9R1.8 C=C=Cc1cnccn1 271570a_100015277604_100000758340 [1,0,0,0,0,0|2,0,1]=4 119 B9R1.8 C=C=Cc1cncnc1 271570a_100015277604_100011206942 [1,0,0,0,0,0|2,0,1]=4 120 B9R1.8 C=C=Cc1ncccn1 271570a_100015277604_100000211032 [1,0,0,0,0,0|2,0,1]=4 121 B9R1.8 CC=Cc1ccccc1 271570a_100016259895_100000210277 [1,0,0,0,0,0|0,0,1]=2 122 B9R1.8 CC=Cc1ccccn1 271570a_100016259895_100011216584 [1,0,0,0,0,0|1,0,1]=3 123 B9R1.8 CC=Cc1cccnc1 271570a_100016259895_100000752921 [1,0,0,0,0,0|1,0,1]=3 124 B9R1.8 CC=Cc1cccnn1 271570a_100016259895_100016991348 [1,0,0,0,0,0|2,0,1]=4 125 B9R1.8 CC=Cc1ccncc1 271570a_100016259895_100000035832 [1,0,0,0,0,0|1,0,1]=3 126 B9R1.8 CC=Cc1ccncn1 271570a_100016259895_100000703185 [1,0,0,0,0,0|2,0,1]=4 127 B9R1.8 CC=Cc1ccnnc1 271570a_100016259895_100000732662 [1,0,0,0,0,0|2,0,1]=4 128 B9R1.8 CC=Cc1cnccn1 271570a_100016259895_100000758340 [1,0,0,0,0,0|2,0,1]=4 129 B9R1.8 CC=Cc1cncnc1 271570a_100016259895_100011206942 [1,0,0,0,0,0|2,0,1]=4 130 B9R1.8 CC=Cc1ncccn1 271570a_100016259895_100000211032 [1,0,0,0,0,0|2,0,1]=4 131 B9R1.8 CCNc1ccccc1 34a_100000106764_100000210202 [1,0,0,0,0,0|1,0,2]=4 132 B9R1.8 CCOc1ccccc1 34a_100000210340_100000210202 [1,0,0,0,0,0|1,0,2]=4 133 B9R1.8 CCOc1ccccc1 7a_100000210340_100000210202 [1,0,0,0,0,0|1,0,2]=4 134 B9R1.8 CCSc1ccccc1 62a_100000210202_100000041952 [1,0,0,0,0,0|1,0,2]=4 135 B9R1.8 CCSc1ccccc1 62a_100000719477_100000210202 [1,0,0,0,0,0|1,0,2]=4 136 B9R1.8 CNCc1ccccc1 207a_100102657272_100015611070 [1,0,0,0,0,0|1,0,2]=4 137 B9R1.8 CNCc1ccccc1 2230a_100015324214_200000210301 [1,0,0,0,0,0|1,0,2]=4 138 B9R1.8 CNCc1ccccc1 2230a_106832991635_100015291786 [1,0,0,0,0,0|1,0,2]=4 139 B9R1.8 CNCc1ccccc1 270004a_106832991635_100015611070 [1,0,0,0,0,0|1,0,2]=4 140 B9R1.8 CNCc1ccccc1 34a_100015324214_200000210301 [1,0,0,0,0,0|1,0,2]=4 141 B9R1.8 CNCc1ccccc1 34a_100102657272_100015291786 [1,0,0,0,0,0|1,0,2]=4 142 B9R1.8 CNCc1ccccc1 7a_106832991635_100000211182 [1,0,0,0,0,0|1,0,2]=4 143 B9R1.8 COCc1ccccc1 34a_100000210790_200000210301 [1,0,0,0,0,0|1,0,2]=4 144 B9R1.8 COCc1ccccc1 34a_100138415774_100015291786 [1,0,0,0,0,0|1,0,2]=4 145 B9R1.8 COCc1ccccc1 7a_100000210790_200000210301 [1,0,0,0,0,0|1,0,2]=4 146 B9R1.8 CSCc1ccccc1 62a_100000211182_200000210301 [1,0,0,0,0,0|1,0,2]=4 147 B9R1.8 CSCc1ccccc1 62a_200000210301_100015291786 [1,0,0,0,0,0|1,0,2]=4 148 B9R1.8 FCNc1ccccc1 34a_100000106764_100015361967 [1,0,0,0,0,0|2,0,1]=4 149 B9R1.8 FCOc1ccccc1 34a_100000210340_100015361967 [1,0,0,0,0,0|2,0,1]=4 150 B9R1.8 FCOc1ccccc1 7a_100000210340_100015361967 [1,0,0,0,0,0|2,0,1]=4 151 B9R1.8 FCSc1ccccc1 62a_100000719477_100015361967 [1,0,0,0,0,0|2,0,1]=4 152 B9R1.8 FCSc1ccccc1 62a_100015361967_100000041952 [1,0,0,0,0,0|2,0,1]=4 153 B9R1.8 [13CH3]NCc1ccccc1 2230a_100015324214_200025704644 [1,0,0,0,0,0|1,0,2]=4 154 B9R1.8 [13CH3]NCc1ccccc1 34a_100015324214_200025704644 [1,0,0,0,0,0|1,0,2]=4 155 B9R1.8 [13CH3]OCc1ccccc1 34a_100000210790_200025704644 [1,0,0,0,0,0|1,0,2]=4 156 B9R1.8 [13CH3]OCc1ccccc1 7a_100000210790_200025704644 [1,0,0,0,0,0|1,0,2]=4 157 B9R1.8 [13CH3]SCc1ccccc1 62a_100000211182_200025704644 [1,0,0,0,0,0|1,0,2]=4 158 B9R1.8 [13CH3]SCc1ccccc1 62a_200025704644_100015291786 [1,0,0,0,0,0|1,0,2]=4 159 B11R1.1 C=CCNc1ccc(cc1)Br 2230a_100000210018_100000210623 [0,1,0,0,0,0|2,0,1]=4 160 B11R1.1 C=CCNc1ccc(cc1)Br 34a_100000210018_100015514636 [0,1,0,0,0,0|2,0,1]=4 161 B11R1.1 C=CCNc1ccc(cc1)C 34a_100000124888_100015514636 [0,1,0,0,0,0|2,0,1]=4 162 B11R1.1 C=CCNc1ccc(cc1)Cl 2230a_100000210052_100000210623 [0,1,0,0,0,0|2,0,1]=4 163 B11R1.1 C=CCNc1ccc(cc1)Cl 34a_100000210052_100015514636 [0,1,0,0,0,0|2,0,1]=4 164 B11R1.1 C=CCNc1ccc(cc1)F 34a_100000185862_100015514636 [0,1,0,0,0,0|2,0,1]=4 165 B11R1.1 C=CCNc1ccc(cc1)I 34a_100000185761_100015514636 [0,1,0,0,0,0|2,0,1]=4 166 B11R1.1 C=CCNc1ccc(cc1)O 34a_100000185829_100015514636 [0,1,0,0,0,0|2,0,1]=4 167 B11R1.1 C=CCOc1ccc(cc1)Br 34a_100000185759_100015514636 [0,1,0,0,0,0|2,0,1]=4 168 B11R1.1 C=CCOc1ccc(cc1)Br 7a_100000185759_100015514636 [0,1,0,0,0,0|2,0,1]=4 169 B11R1.1 C=CCOc1ccc(cc1)C 34a_100000210336_100015514636 [0,1,0,0,0,0|2,0,1]=4 170 B11R1.1 C=CCOc1ccc(cc1)C 7a_100000210336_100015514636 [0,1,0,0,0,0|2,0,1]=4 171 B11R1.1 C=CCOc1ccc(cc1)Cl 34a_100000210216_100015514636 [0,1,0,0,0,0|2,0,1]=4 172 B11R1.1 C=CCOc1ccc(cc1)Cl 7a_100000210216_100015514636 [0,1,0,0,0,0|2,0,1]=4 173 B11R1.1 C=CCOc1ccc(cc1)F 34a_100000210339_100015514636 [0,1,0,0,0,0|2,0,1]=4 174 B11R1.1 C=CCOc1ccc(cc1)I 34a_100000212066_100015514636 [0,1,0,0,0,0|2,0,1]=4 175 B11R1.1 C=CCOc1ccc(cc1)I 7a_100000212066_100015514636 [0,1,0,0,0,0|2,0,1]=4 176 B11R1.1 C=CCOc1ccc(cc1)N 34a_100000185829_100015514636 [0,1,0,0,0,0|2,0,1]=4 177 B11R1.1 C=CCOc1ccc(cc1)O 271570a_203496583355_100000172055 [0,1,0,0,0,0|2,0,1]=4 178 B11R1.1 C=CCSc1ccc(cc1)Br 62a_100000210623_100000752885 [0,1,0,0,0,0|2,0,1]=4 179 B11R1.1 C=CCSc1ccc(cc1)Br 62a_100000752885_100000210623 [0,1,0,0,0,0|2,0,1]=4 180 B11R1.1 C=CCSc1ccc(cc1)C 62a_100000186775_100000210623 [0,1,0,0,0,0|2,0,1]=4 181 B11R1.1 C=CCSc1ccc(cc1)C 62a_100000210623_100000186775 [0,1,0,0,0,0|2,0,1]=4 182 B11R1.1 C=CCSc1ccc(cc1)Cl 62a_100000210623_100000755918 [0,1,0,0,0,0|2,0,1]=4 183 B11R1.1 C=CCSc1ccc(cc1)Cl 62a_100000755918_100000210623 [0,1,0,0,0,0|2,0,1]=4 184 B11R1.1 C=CCSc1ccc(cc1)F 62a_100000210623_100000211213 [0,1,0,0,0,0|2,0,1]=4 185 B11R1.1 C=CCSc1ccc(cc1)F 62a_100000211213_100000210623 [0,1,0,0,0,0|2,0,1]=4 186 B11R1.1 C=CCSc1ccc(cc1)N 62a_100000185761_100000210623 [0,1,0,0,0,0|2,0,1]=4 187 B11R1.1 C=CCSc1ccc(cc1)N 62a_100000210623_100000185761 [0,1,0,0,0,0|2,0,1]=4 188 B11R1.1 C=CCSc1ccc(cc1)O 62a_100000210623_100000185759 [0,1,0,0,0,0|2,0,1]=4 189 B11R1.1 CC=NNc1ccc(cc1)Br 4a_100000735608_200000210099 [0,1,0,0,0,0|3,0,0]=4 190 B11R1.1 CC=NNc1ccc(cc1)C 4a_100000683527_200000210099 [0,1,0,0,0,0|3,0,0]=4 191 B11R1.1 CC=NNc1ccc(cc1)Cl 4a_100000683521_200000210099 [0,1,0,0,0,0|3,0,0]=4 192 B11R1.1 CC=NNc1ccc(cc1)F 4a_100000728448_200000210099 [0,1,0,0,0,0|3,0,0]=4 193 B11R1.1 CC=NNc1ccc(cc1)I 4a_100016988836_200000210099 [0,1,0,0,0,0|3,0,0]=4 194 B11R1.1 COC=Cc1ccc(cc1)O 271570a_203496583355_100020630460 [0,1,0,0,0,0|2,0,0]=3 195 B11R1.1 Cc1ccc(cc1)NCC=O 34a_100000124888_200009817547 [0,1,0,0,0,0|1,0,1]=3 196 B11R1.1 Cc1ccc(cc1)OCC=O 34a_100000210336_200009817547 [0,1,0,0,0,0|1,0,1]=3 197 B11R1.1 Cc1ccc(cc1)OCC=O 7a_100000210336_200015260668 [0,1,0,0,0,0|1,0,1]=3 198 B11R1.1 Cc1ccc(cc1)SCC=O 62a_100000186775_200015260668 [0,1,0,0,0,0|1,0,1]=3 199 B11R1.1 Cc1ccc(cc1)SCC=O 62a_200015260668_100000186775 [0,1,0,0,0,0|1,0,1]=3 200 B11R1.1 Cc1ccc(cn1)OCC=O 34a_100000745506_200009817547 [0,1,0,0,0,0|2,0,1]=4 201 B11R1.1 Cc1ccc(cn1)OCC=O 7a_100000745506_200015260668 [0,1,0,0,0,0|2,0,1]=4 202 B11R1.1 Cc1ccc(cn1)SCC=O 62a_100000751577_200015260668 [0,1,0,0,0,0|2,0,1]=4 203 B11R1.1 Cc1ccc(cn1)SCC=O 62a_200015260668_100000751577 [0,1,0,0,0,0|2,0,1]=4 204 B11R1.1 Cc1ccc(nc1)OCC=O 34a_100000759353_200009817547 [0,1,0,0,0,0|2,0,1]=4 205 B11R1.1 Cc1ccc(nc1)SCC=O 62a_100011192072_200015260668 [0,1,0,0,0,0|2,0,1]=4 206 B11R1.1 Cc1ccc(nc1)SCC=O 62a_200015260668_100000754016 [0,1,0,0,0,0|2,0,1]=4 207 B11R1.1 Nc1ccc(cc1)OCC=O 34a_100000185829_200009817547 [0,1,0,0,0,0|1,0,1]=3 208 B11R1.1 Nc1ccc(cc1)SCC=O 62a_100000185761_200015260668 [0,1,0,0,0,0|1,0,1]=3 209 B11R1.1 Nc1ccc(cc1)SCC=O 62a_200015260668_100000185761 [0,1,0,0,0,0|1,0,1]=3 210 B11R1.1 Nc1ccc(cn1)OCC=O 34a_100015188713_200009817547 [0,1,0,0,0,0|2,0,1]=4 211 B11R1.1 Nc1ccc(cn1)OCC=O 7a_100015188713_200015260668 [0,1,0,0,0,0|2,0,1]=4 212 B11R1.1 Nc1ccc(cn1)SCC=O 62a_100000187370_200015260668 [0,1,0,0,0,0|2,0,1]=4 213 B11R1.1 Nc1ccc(cn1)SCC=O 62a_200015260668_100000187370 [0,1,0,0,0,0|2,0,1]=4 214 B11R1.1 Nc1ccc(nc1)OCC=O 34a_100000729260_200009817547 [0,1,0,0,0,0|2,0,1]=4 215 B11R1.1 Nc1ccc(nc1)SCC=O 62a_100000737798_200015260668 [0,1,0,0,0,0|2,0,1]=4 216 B11R1.1 Nc1ccc(nc1)SCC=O 62a_200015260668_100000737798 [0,1,0,0,0,0|2,0,1]=4 217 B11R1.1 O=CCCc1ccc(cc1)O 271570a_203496583355_100011361538 [0,1,0,0,0,0|0,0,2]=3 218 B11R1.1 O=CCNc1ccc(cc1)Br 2230a_100000210018_200015260668 [0,1,0,0,0,0|1,0,1]=3 219 B11R1.1 O=CCNc1ccc(cc1)Br 34a_100000210018_200009817547 [0,1,0,0,0,0|1,0,1]=3 220 B11R1.1 O=CCNc1ccc(cc1)Cl 2230a_100000210052_200015260668 [0,1,0,0,0,0|1,0,1]=3 221 B11R1.1 O=CCNc1ccc(cc1)Cl 34a_100000210052_200009817547 [0,1,0,0,0,0|1,0,1]=3 222 B11R1.1 O=CCNc1ccc(cc1)F 34a_100000185862_200009817547 [0,1,0,0,0,0|1,0,1]=3 223 B11R1.1 O=CCNc1ccc(cc1)I 34a_100000185761_200009817547 [0,1,0,0,0,0|1,0,1]=3 224 B11R1.1 O=CCNc1ccc(cc1)O 34a_100000185829_200009817547 [0,1,0,0,0,0|1,0,1]=3 225 B11R1.1 O=CCOc1ccc(=O)[nH]c1 34a_100000075641_200009817547 [0,1,0,0,0,0|2,0,1]=4 226 B11R1.1 O=CCOc1ccc(cc1)Br 34a_100000185759_200009817547 [0,1,0,0,0,0|1,0,1]=3 227 B11R1.1 O=CCOc1ccc(cc1)Br 7a_100000185759_200015260668 [0,1,0,0,0,0|1,0,1]=3 228 B11R1.1 O=CCOc1ccc(cc1)Cl 34a_100000210216_200009817547 [0,1,0,0,0,0|1,0,1]=3 229 B11R1.1 O=CCOc1ccc(cc1)Cl 7a_100000210216_200015260668 [0,1,0,0,0,0|1,0,1]=3 230 B11R1.1 O=CCOc1ccc(cc1)F 34a_100000210339_200009817547 [0,1,0,0,0,0|1,0,1]=3 231 B11R1.1 O=CCOc1ccc(cc1)I 34a_100000212066_200009817547 [0,1,0,0,0,0|1,0,1]=3 232 B11R1.1 O=CCOc1ccc(cc1)I 7a_100000212066_200015260668 [0,1,0,0,0,0|1,0,1]=3 233 B11R1.1 O=CCOc1ccc(cn1)Cl 34a_100011215309_200009817547 [0,1,0,0,0,0|2,0,1]=4 234 B11R1.1 O=CCOc1ccc(cn1)F 34a_100000742473_200009817547 [0,1,0,0,0,0|2,0,1]=4 235 B11R1.1 O=CCOc1ccc(nc1)Br 34a_100000685995_200009817547 [0,1,0,0,0,0|2,0,1]=4 236 B11R1.1 O=CCOc1ccc(nc1)Br 7a_100000685995_200015260668 [0,1,0,0,0,0|2,0,1]=4 237 B11R1.1 O=CCOc1ccc(nc1)Cl 34a_100000744096_200009817547 [0,1,0,0,0,0|2,0,1]=4 238 B11R1.1 O=CCOc1ccc(nc1)Cl 7a_100000744096_200015260668 [0,1,0,0,0,0|2,0,1]=4 239 B11R1.1 O=CCOc1ccc(nc1)F 34a_100000688820_200009817547 [0,1,0,0,0,0|2,0,1]=4 240 B11R1.1 O=CCOc1ccc(nc1)F 7a_100000688820_200015260668 [0,1,0,0,0,0|2,0,1]=4 241 B11R1.1 O=CCOc1ccc(nc1)I 34a_100000687607_200009817547 [0,1,0,0,0,0|2,0,1]=4 242 B11R1.1 O=CCOc1ccc(nc1)I 7a_100000687607_200015260668 [0,1,0,0,0,0|2,0,1]=4 243 B11R1.1 O=CCSc1cc[n+](cc1)[O-] 62a_200015260668_100000039755 [0,1,0,0,0,0|2,0,1]=4 244 B11R1.1 O=CCSc1ccc(=O)[nH]c1 62a_100000212171_200015260668 [0,1,0,0,0,0|2,0,1]=4 245 B11R1.1 O=CCSc1ccc(=O)[nH]c1 62a_200015260668_100000212171 [0,1,0,0,0,0|2,0,1]=4 246 B11R1.1 O=CCSc1ccc(cc1)Br 62a_100000752885_200015260668 [0,1,0,0,0,0|1,0,1]=3 247 B11R1.1 O=CCSc1ccc(cc1)Br 62a_200015260668_100000752885 [0,1,0,0,0,0|1,0,1]=3 248 B11R1.1 O=CCSc1ccc(cc1)Cl 62a_100000755918_200015260668 [0,1,0,0,0,0|1,0,1]=3 249 B11R1.1 O=CCSc1ccc(cc1)Cl 62a_200015260668_100000755918 [0,1,0,0,0,0|1,0,1]=3 250 B11R1.1 O=CCSc1ccc(cc1)F 62a_100000211213_200015260668 [0,1,0,0,0,0|1,0,1]=3 251 B11R1.1 O=CCSc1ccc(cc1)F 62a_200015260668_100000211213 [0,1,0,0,0,0|1,0,1]=3 252 B11R1.1 O=CCSc1ccc(cc1)O 62a_200015260668_100000185759 [0,1,0,0,0,0|1,0,1]=3 253 B11R1.1 O=CCSc1ccc(cn1)Br 62a_100000686858_200015260668 [0,1,0,0,0,0|2,0,1]=4 254 B11R1.1 O=CCSc1ccc(cn1)Br 62a_200015260668_100000686858 [0,1,0,0,0,0|2,0,1]=4 255 B11R1.1 O=CCSc1ccc(cn1)Cl 62a_100011356976_200015260668 [0,1,0,0,0,0|2,0,1]=4 256 B11R1.1 O=CCSc1ccc(cn1)Cl 62a_200015260668_100011356976 [0,1,0,0,0,0|2,0,1]=4 257 B11R1.1 O=CCSc1ccc(cn1)F 62a_100000744514_200015260668 [0,1,0,0,0,0|2,0,1]=4 258 B11R1.1 O=CCSc1ccc(cn1)F 62a_200015260668_100000744514 [0,1,0,0,0,0|2,0,1]=4 259 B11R1.1 O=CCSc1ccc(cn1)O 62a_100000685995_200015260668 [0,1,0,0,0,0|2,0,1]=4 260 B11R1.1 O=CCSc1ccc(cn1)O 62a_200015260668_100000744096 [0,1,0,0,0,0|2,0,1]=4 261 B11R1.1 O=CCSc1ccc(nc1)Br 62a_100009814638_200015260668 [0,1,0,0,0,0|2,0,1]=4 262 B11R1.1 O=CCSc1ccc(nc1)Br 62a_200015260668_100009814638 [0,1,0,0,0,0|2,0,1]=4 263 B11R1.1 O=CCSc1ccc(nc1)Cl 62a_100000034144_200015260668 [0,1,0,0,0,0|2,0,1]=4 264 B11R1.1 O=CCSc1ccc(nc1)Cl 62a_200015260668_100000034144 [0,1,0,0,0,0|2,0,1]=4 265 B11R1.1 O=CCSc1ccc(nc1)F 62a_100000042367_200015260668 [0,1,0,0,0,0|2,0,1]=4 266 B11R1.1 O=CCSc1ccc(nc1)F 62a_200015260668_100000042367 [0,1,0,0,0,0|2,0,1]=4 267 B11R1.16 C#CCC(=O)c1ccccc1 1458a_100000185807_100000184674 [0,1,0,0,0,0|1,0,2]=4 268 B11R1.16 C=CCC(=O)c1ccccc1 1458a_100000185807_100000210623 [0,1,0,0,0,0|1,0,1]=3 269 B11R1.16 C=CCN(C)c1ccccc1 2230a_100000210012_100000210623 [0,1,0,0,0,0|2,0,1]=4 270 B11R1.16 C=CCN(C)c1ccccc1 2230a_100000211662_200000210301 [0,1,0,0,0,0|2,0,1]=4 271 B11R1.16 C=CCN(C)c1ccccc1 269982a_100000210012_100000210623 [0,1,0,0,0,0|2,0,1]=4 272 B11R1.16 C=CCN(C)c1ccccc1 269982a_100000211662_200000210301 [0,1,0,0,0,0|2,0,1]=4 273 B11R1.16 C=CCN(C)c1ccccc1 34a_100000210012_100015514636 [0,1,0,0,0,0|2,0,1]=4 274 B11R1.16 C=CCN(C)c1ccccc1 34a_100000211662_200000210301 [0,1,0,0,0,0|2,0,1]=4 275 B11R1.16 C=CCN([13CH3])c1ccccc1 2230a_100000211662_200025704644 [0,1,0,0,0,0|2,0,1]=4 276 B11R1.16 C=CCN([13CH3])c1ccccc1 269982a_100000211662_200025704644 [0,1,0,0,0,0|2,0,1]=4 277 B11R1.16 C=CCN([13CH3])c1ccccc1 34a_100000211662_200025704644 [0,1,0,0,0,0|2,0,1]=4 278 B11R1.16 CCCC(=O)c1ccccc1 1458a_100000185807_100000210303 [0,1,0,0,0,0|1,0,2]=4 279 B11R1.16 CCNC(=O)c1ccccc1 11a_100015525214_100000185807 [0,1,0,0,0,0|2,0,1]=4 280 B11R1.16 CCNC(=O)c1ccccc1 240690a_100015525214_100000185807 [0,1,0,0,0,0|2,0,1]=4 281 B11R1.16 CCNC(=O)c1ccccc1 527a_100015525214_100000185807 [0,1,0,0,0,0|2,0,1]=4 282 B11R1.16 CN(CC=O)c1ccccc1 2230a_100000210012_200015260668 [0,1,0,0,0,0|1,0,1]=3 283 B11R1.16 CN(CC=O)c1ccccc1 269982a_100000210012_200015260668 [0,1,0,0,0,0|1,0,1]=3 284 B11R1.16 CN(CC=O)c1ccccc1 34a_100000210012_200009817547 [0,1,0,0,0,0|1,0,1]=3 285 B11R1.16 CNCC(=O)c1ccccc1 7a_106832991635_100000211460 [0,1,0,0,0,0|2,0,1]=4 286 B11R1.16 CNNC(=O)c1ccccc1 22a_100016993582_100000185807 [0,1,0,0,0,0|3,0,0]=4 287 B11R1.16 CSCC(=O)c1ccccc1 62a_100000211460_200000210301 [0,1,0,0,0,0|2,0,1]=4 288 B11R1.16 CSCC(=O)c1ccccc1 62a_200000210301_100000211460 [0,1,0,0,0,0|2,0,1]=4 289 B11R1.16 N#CCC(=O)c1ccccc1 1458a_100000185807_100011214920 [0,1,0,0,0,0|1,0,2]=4 290 B11R1.16 O=C(CCF)c1ccccc1 1458a_100000185807_100011217306 [0,1,0,0,0,0|1,0,2]=4 291 B11R1.16 O=C(CCO)c1ccccc1 1458a_100000185807_100000211926 [0,1,0,0,0,0|0,0,3]=4 292 B11R1.16 [13CH3]SCC(=O)c1ccccc1 62a_100000211460_200025704644 [0,1,0,0,0,0|2,0,1]=4 293 B11R1.16 [13CH3]SCC(=O)c1ccccc1 62a_200025704644_100000211460 [0,1,0,0,0,0|2,0,1]=4 294 B11R1.17 C=CCNc1ccccc1Br 34a_100000210017_100015514636 [0,1,0,0,0,0|2,0,1]=4 295 B11R1.17 C=CCNc1ccccc1C 34a_100015192222_100015514636 [0,1,0,0,0,0|2,0,1]=4 296 B11R1.17 C=CCNc1ccccc1Cl 34a_100000185783_100015514636 [0,1,0,0,0,0|2,0,1]=4 297 B11R1.17 C=CCNc1ccccc1F 34a_100000210422_100015514636 [0,1,0,0,0,0|2,0,1]=4 298 B11R1.17 C=CCNc1ccccc1I 34a_100000210053_100015514636 [0,1,0,0,0,0|2,0,1]=4 299 B11R1.17 C=CCNc1ccccc1O 34a_100000185747_100015514636 [0,1,0,0,0,0|2,0,1]=4 300 B11R1.17 C=CCOc1ccccc1Br 34a_100000181306_100015514636 [0,1,0,0,0,0|2,0,1]=4 301 B11R1.17 C=CCOc1ccccc1Br 7a_100000181306_100015514636 [0,1,0,0,0,0|2,0,1]=4 302 B11R1.17 C=CCOc1ccccc1C 34a_100000210338_100015514636 [0,1,0,0,0,0|2,0,1]=4 303 B11R1.17 C=CCOc1ccccc1C 7a_100000210338_100015514636 [0,1,0,0,0,0|2,0,1]=4 304 B11R1.17 C=CCOc1ccccc1Cl 34a_100000210172_100015514636 [0,1,0,0,0,0|2,0,1]=4 305 B11R1.17 C=CCOc1ccccc1Cl 7a_100000210172_100015514636 [0,1,0,0,0,0|2,0,1]=4 306 B11R1.17 C=CCOc1ccccc1F 34a_100000210171_100015514636 [0,1,0,0,0,0|2,0,1]=4 307 B11R1.17 C=CCOc1ccccc1F 7a_100000210171_100015514636 [0,1,0,0,0,0|2,0,1]=4 308 B11R1.17 C=CCOc1ccccc1I 34a_100000739446_100015514636 [0,1,0,0,0,0|2,0,1]=4 309 B11R1.17 C=CCOc1ccccc1I 7a_100000739446_100015514636 [0,1,0,0,0,0|2,0,1]=4 310 B11R1.17 C=CCOc1ccccc1N 34a_100000185747_100015514636 [0,1,0,0,0,0|2,0,1]=4 311 B11R1.17 C=CCOc1ccccc1N 7a_100000185747_100015514636 [0,1,0,0,0,0|2,0,1]=4 312 B11R1.17 C=CCSc1ccccc1Br 62a_100000210623_100000695589 [0,1,0,0,0,0|2,0,1]=4 313 B11R1.17 C=CCSc1ccccc1Br 62a_100000695589_100000210623 [0,1,0,0,0,0|2,0,1]=4 314 B11R1.17 C=CCSc1ccccc1C 62a_100000210623_100000210755 [0,1,0,0,0,0|2,0,1]=4 315 B11R1.17 C=CCSc1ccccc1C 62a_100000210755_100000210623 [0,1,0,0,0,0|2,0,1]=4 316 B11R1.17 C=CCSc1ccccc1Cl 62a_100000210623_100000764095 [0,1,0,0,0,0|2,0,1]=4 317 B11R1.17 C=CCSc1ccccc1Cl 62a_100000764095_100000210623 [0,1,0,0,0,0|2,0,1]=4 318 B11R1.17 C=CCSc1ccccc1F 62a_100000210623_100011215700 [0,1,0,0,0,0|2,0,1]=4 319 B11R1.17 C=CCSc1ccccc1F 62a_100011215700_100000210623 [0,1,0,0,0,0|2,0,1]=4 320 B11R1.17 C=CCSc1ccccc1N 62a_100000210017_100000210623 [0,1,0,0,0,0|2,0,1]=4 321 B11R1.17 C=CCSc1ccccc1N 62a_100000210623_100000210017 [0,1,0,0,0,0|2,0,1]=4 322 B11R1.17 C=CCSc1ccccc1O 62a_100000210623_100000739446 [0,1,0,0,0,0|2,0,1]=4 323 B11R1.17 C=CCSc1ccccc1O 62a_100000739446_100000210623 [0,1,0,0,0,0|2,0,1]=4 324 B11R1.17 CC=NNc1ccccc1Br 4a_100000241748_200000210099 [0,1,0,0,0,0|3,0,0]=4 325 B11R1.17 CC=NNc1ccccc1C 4a_100000184220_200000210099 [0,1,0,0,0,0|3,0,0]=4 326 B11R1.17 CC=NNc1ccccc1Cl 4a_100000683529_200000210099 [0,1,0,0,0,0|3,0,0]=4 327 B11R1.17 CC=NNc1ccccc1F 4a_100000239246_200000210099 [0,1,0,0,0,0|3,0,0]=4 328 B11R1.17 CC=NNc1ccccc1I 4a_100011218156_200000210099 [0,1,0,0,0,0|3,0,0]=4 329 B11R1.17 C[n+]1ccccc1SCC=O 62a_200015260668_100000212160 [0,1,0,0,0,0|2,0,1]=4 330 B11R1.17 Cc1ccccc1NCC=O 34a_100015192222_200009817547 [0,1,0,0,0,0|1,0,1]=3 331 B11R1.17 Cc1ccccc1OCC=O 34a_100000210338_200009817547 [0,1,0,0,0,0|1,0,1]=3 332 B11R1.17 Cc1ccccc1OCC=O 7a_100000210338_200015260668 [0,1,0,0,0,0|1,0,1]=3 333 B11R1.17 Cc1ccccc1SCC=O 62a_100000210755_200015260668 [0,1,0,0,0,0|1,0,1]=3 334 B11R1.17 Cc1ccccc1SCC=O 62a_200015260668_100000210755 [0,1,0,0,0,0|1,0,1]=3 335 B11R1.17 Cc1cccnc1SCC=O 62a_100000751373_200015260668 [0,1,0,0,0,0|2,0,1]=4 336 B11R1.17 Cc1cccnc1SCC=O 62a_200015260668_100000751373 [0,1,0,0,0,0|2,0,1]=4 337 B11R1.17 Cc1ccncc1OCC=O 34a_100011997053_200009817547 [0,1,0,0,0,0|2,0,1]=4 338 B11R1.17 Cc1ccncc1OCC=O 7a_100011997053_200015260668 [0,1,0,0,0,0|2,0,1]=4 339 B11R1.17 Cc1ccncc1SCC=O 62a_100000761580_200015260668 [0,1,0,0,0,0|2,0,1]=4 340 B11R1.17 Cc1ccncc1SCC=O 62a_200015260668_100000761580 [0,1,0,0,0,0|2,0,1]=4 341 B11R1.17 Cc1cnccc1OCC=O 34a_100000694293_200009817547 [0,1,0,0,0,0|2,0,1]=4 342 B11R1.17 Cc1cnccc1SCC=O 62a_100000765111_200015260668 [0,1,0,0,0,0|2,0,1]=4 343 B11R1.17 Cc1cnccc1SCC=O 62a_200015260668_100000765111 [0,1,0,0,0,0|2,0,1]=4 344 B11R1.17 Cc1ncccc1OCC=O 34a_100000745507_200009817547 [0,1,0,0,0,0|2,0,1]=4 345 B11R1.17 Cc1ncccc1OCC=O 7a_100000745507_200015260668 [0,1,0,0,0,0|2,0,1]=4 346 B11R1.17 Cc1ncccc1SCC=O 62a_100000751574_200015260668 [0,1,0,0,0,0|2,0,1]=4 347 B11R1.17 Cc1ncccc1SCC=O 62a_200015260668_100000751574 [0,1,0,0,0,0|2,0,1]=4 348 B11R1.17 Nc1ccccc1OCC=O 34a_100000185747_200009817547 [0,1,0,0,0,0|1,0,1]=3 349 B11R1.17 Nc1ccccc1OCC=O 7a_100000185747_200015260668 [0,1,0,0,0,0|1,0,1]=3 350 B11R1.17 Nc1ccccc1SCC=O 62a_100000210017_200015260668 [0,1,0,0,0,0|1,0,1]=3 351 B11R1.17 Nc1ccccc1SCC=O 62a_200015260668_100000210017 [0,1,0,0,0,0|1,0,1]=3 352 B11R1.17 Nc1cccnc1OCC=O 34a_100000746358_200009817547 [0,1,0,0,0,0|2,0,1]=4 353 B11R1.17 Nc1cccnc1SCC=O 62a_100000688686_200015260668 [0,1,0,0,0,0|2,0,1]=4 354 B11R1.17 Nc1cccnc1SCC=O 62a_200015260668_100000688686 [0,1,0,0,0,0|2,0,1]=4 355 B11R1.17 Nc1ccncc1OCC=O 34a_100000753702_200009817547 [0,1,0,0,0,0|2,0,1]=4 356 B11R1.17 Nc1ccncc1SCC=O 62a_100000047001_200015260668 [0,1,0,0,0,0|2,0,1]=4 357 B11R1.17 Nc1ccncc1SCC=O 62a_200015260668_100000047001 [0,1,0,0,0,0|2,0,1]=4 358 B11R1.17 Nc1cnccc1SCC=O 62a_100000756074_200015260668 [0,1,0,0,0,0|2,0,1]=4 359 B11R1.17 Nc1cnccc1SCC=O 62a_200015260668_100000756074 [0,1,0,0,0,0|2,0,1]=4 360 B11R1.17 Nc1ncccc1OCC=O 34a_100000211975_200009817547 [0,1,0,0,0,0|2,0,1]=4 361 B11R1.17 Nc1ncccc1OCC=O 7a_100000211975_200015260668 [0,1,0,0,0,0|2,0,1]=4 362 B11R1.17 Nc1ncccc1SCC=O 62a_100000045569_200015260668 [0,1,0,0,0,0|2,0,1]=4 363 B11R1.17 Nc1ncccc1SCC=O 62a_200015260668_100000045569 [0,1,0,0,0,0|2,0,1]=4 364 B11R1.17 O=CCCc1ccccc1O 271570a_203496583355_100011713448 [0,1,0,0,0,0|0,0,2]=3 365 B11R1.17 O=CCNc1ccccc1Br 34a_100000210017_200009817547 [0,1,0,0,0,0|1,0,1]=3 366 B11R1.17 O=CCNc1ccccc1Cl 34a_100000185783_200009817547 [0,1,0,0,0,0|1,0,1]=3 367 B11R1.17 O=CCNc1ccccc1F 34a_100000210422_200009817547 [0,1,0,0,0,0|1,0,1]=3 368 B11R1.17 O=CCNc1ccccc1I 34a_100000210053_200009817547 [0,1,0,0,0,0|1,0,1]=3 369 B11R1.17 O=CCNc1ccccc1O 34a_100000185747_200009817547 [0,1,0,0,0,0|1,0,1]=3 370 B11R1.17 O=CCOc1cccc[n+]1[O-] 7a_100000211761_200015260668 [0,1,0,0,0,0|2,0,1]=4 371 B11R1.17 O=CCOc1ccccc1Br 34a_100000181306_200009817547 [0,1,0,0,0,0|1,0,1]=3 372 B11R1.17 O=CCOc1ccccc1Br 7a_100000181306_200015260668 [0,1,0,0,0,0|1,0,1]=3 373 B11R1.17 O=CCOc1ccccc1Cl 34a_100000210172_200009817547 [0,1,0,0,0,0|1,0,1]=3 374 B11R1.17 O=CCOc1ccccc1Cl 7a_100000210172_200015260668 [0,1,0,0,0,0|1,0,1]=3 375 B11R1.17 O=CCOc1ccccc1F 34a_100000210171_200009817547 [0,1,0,0,0,0|1,0,1]=3 376 B11R1.17 O=CCOc1ccccc1F 7a_100000210171_200015260668 [0,1,0,0,0,0|1,0,1]=3 377 B11R1.17 O=CCOc1ccccc1I 34a_100000739446_200009817547 [0,1,0,0,0,0|1,0,1]=3 378 B11R1.17 O=CCOc1ccccc1I 7a_100000739446_200015260668 [0,1,0,0,0,0|1,0,1]=3 379 B11R1.17 O=CCOc1cccnc1Br 34a_100000744436_200009817547 [0,1,0,0,0,0|2,0,1]=4 380 B11R1.17 O=CCOc1cccnc1Br 7a_100000744436_200015260668 [0,1,0,0,0,0|2,0,1]=4 381 B11R1.17 O=CCOc1cccnc1Cl 34a_100000757616_200009817547 [0,1,0,0,0,0|2,0,1]=4 382 B11R1.17 O=CCOc1cccnc1Cl 7a_100000757616_200015260668 [0,1,0,0,0,0|2,0,1]=4 383 B11R1.17 O=CCOc1cccnc1F 34a_100000061740_200009817547 [0,1,0,0,0,0|2,0,1]=4 384 B11R1.17 O=CCOc1cccnc1F 7a_100000061740_200015260668 [0,1,0,0,0,0|2,0,1]=4 385 B11R1.17 O=CCOc1cccnc1I 34a_100000034122_200009817547 [0,1,0,0,0,0|2,0,1]=4 386 B11R1.17 O=CCOc1cccnc1I 7a_100000034122_200015260668 [0,1,0,0,0,0|2,0,1]=4 387 B11R1.17 O=CCOc1cccoc1=O 34a_100000077404_200009817547 [0,1,0,0,0,0|2,0,1]=4 388 B11R1.17 O=CCOc1cccoc1=O 7a_100000077404_200015260668 [0,1,0,0,0,0|2,0,1]=4 389 B11R1.17 O=CCOc1ccncc1Br 34a_100011996408_200009817547 [0,1,0,0,0,0|2,0,1]=4 390 B11R1.17 O=CCOc1ccncc1Cl 34a_100011997054_200009817547 [0,1,0,0,0,0|2,0,1]=4 391 B11R1.17 O=CCOc1ccncc1F 34a_200000081243_200009817547 [0,1,0,0,0,0|2,0,1]=4 392 B11R1.17 O=CCOc1cnccc1Cl 34a_100011996695_200009817547 [0,1,0,0,0,0|2,0,1]=4 393 B11R1.17 O=CCOc1cnccc1I 34a_100000050107_200009817547 [0,1,0,0,0,0|2,0,1]=4 394 B11R1.17 O=CCOc1coccc1=O 34a_100000060831_200009817547 [0,1,0,0,0,0|2,0,1]=4 395 B11R1.17 O=CCOc1ncccc1Cl 34a_100011290957_200009817547 [0,1,0,0,0,0|2,0,1]=4 396 B11R1.17 O=CCOc1ncccc1F 34a_100011219419_200009817547 [0,1,0,0,0,0|2,0,1]=4 397 B11R1.17 O=CCSc1c[nH]ccc1=O 62a_100009998708_200015260668 [0,1,0,0,0,0|2,0,1]=4 398 B11R1.17 O=CCSc1c[nH]ccc1=O 62a_200015260668_100009998708 [0,1,0,0,0,0|2,0,1]=4 399 B11R1.17 O=CCSc1c[nH]ccc1=S 62a_200012280681_200015260668 [0,1,0,0,0,0|2,0,1]=4 400 B11R1.17 O=CCSc1c[nH]ccc1=S 62a_200015260668_200012280681 [0,1,0,0,0,0|2,0,1]=4 401 B11R1.17 O=CCSc1cccc[n+]1[O-] 62a_200015260668_200000042595 [0,1,0,0,0,0|2,0,1]=4 402 B11R1.17 O=CCSc1ccccc1Br 62a_100000695589_200015260668 [0,1,0,0,0,0|1,0,1]=3 403 B11R1.17 O=CCSc1ccccc1Br 62a_200015260668_100000695589 [0,1,0,0,0,0|1,0,1]=3 404 B11R1.17 O=CCSc1ccccc1Cl 62a_100000764095_200015260668 [0,1,0,0,0,0|1,0,1]=3 405 B11R1.17 O=CCSc1ccccc1Cl 62a_200015260668_100000764095 [0,1,0,0,0,0|1,0,1]=3 406 B11R1.17 O=CCSc1ccccc1F 62a_100011215700_200015260668 [0,1,0,0,0,0|1,0,1]=3 407 B11R1.17 O=CCSc1ccccc1F 62a_200015260668_100011215700 [0,1,0,0,0,0|1,0,1]=3 408 B11R1.17 O=CCSc1ccccc1O 62a_100000739446_200015260668 [0,1,0,0,0,0|1,0,1]=3 409 B11R1.17 O=CCSc1ccccc1O 62a_200015260668_100000739446 [0,1,0,0,0,0|1,0,1]=3 410 B11R1.17 O=CCSc1cccnc1Br 62a_100010202626_200015260668 [0,1,0,0,0,0|2,0,1]=4 411 B11R1.17 O=CCSc1cccnc1Br 62a_200015260668_100010202626 [0,1,0,0,0,0|2,0,1]=4 412 B11R1.17 O=CCSc1cccnc1Cl 62a_100000036424_200015260668 [0,1,0,0,0,0|2,0,1]=4 413 B11R1.17 O=CCSc1cccnc1Cl 62a_200015260668_100000036424 [0,1,0,0,0,0|2,0,1]=4 414 B11R1.17 O=CCSc1cccnc1F 62a_100009816115_200015260668 [0,1,0,0,0,0|2,0,1]=4 415 B11R1.17 O=CCSc1cccnc1F 62a_200015260668_100009816115 [0,1,0,0,0,0|2,0,1]=4 416 B11R1.17 O=CCSc1cccnc1O 62a_100000760158_200015260668 [0,1,0,0,0,0|2,0,1]=4 417 B11R1.17 O=CCSc1cccnc1O 62a_200015260668_100000760158 [0,1,0,0,0,0|2,0,1]=4 418 B11R1.17 O=CCSc1ccncc1Br 62a_100000726257_200015260668 [0,1,0,0,0,0|2,0,1]=4 419 B11R1.17 O=CCSc1ccncc1Br 62a_200015260668_100000726257 [0,1,0,0,0,0|2,0,1]=4 420 B11R1.17 O=CCSc1ccncc1Cl 62a_100000708259_200015260668 [0,1,0,0,0,0|2,0,1]=4 421 B11R1.17 O=CCSc1ccncc1Cl 62a_200015260668_100000708259 [0,1,0,0,0,0|2,0,1]=4 422 B11R1.17 O=CCSc1ccncc1F 62a_100000047030_200015260668 [0,1,0,0,0,0|2,0,1]=4 423 B11R1.17 O=CCSc1ccncc1F 62a_200015260668_100000047030 [0,1,0,0,0,0|2,0,1]=4 424 B11R1.17 O=CCSc1ccncc1O 62a_100009817591_200015260668 [0,1,0,0,0,0|2,0,1]=4 425 B11R1.17 O=CCSc1ccncc1O 62a_200015260668_100009817591 [0,1,0,0,0,0|2,0,1]=4 426 B11R1.17 O=CCSc1cnccc1Br 62a_100010138639_200015260668 [0,1,0,0,0,0|2,0,1]=4 427 B11R1.17 O=CCSc1cnccc1Br 62a_200015260668_100010138639 [0,1,0,0,0,0|2,0,1]=4 428 B11R1.17 O=CCSc1cnccc1Cl 62a_100009995489_200015260668 [0,1,0,0,0,0|2,0,1]=4 429 B11R1.17 O=CCSc1cnccc1Cl 62a_200015260668_100009995489 [0,1,0,0,0,0|2,0,1]=4 430 B11R1.17 O=CCSc1cnccc1F 62a_100009820683_200015260668 [0,1,0,0,0,0|2,0,1]=4 431 B11R1.17 O=CCSc1cnccc1F 62a_200015260668_100009820683 [0,1,0,0,0,0|2,0,1]=4 432 B11R1.17 O=CCSc1ncccc1Br 62a_100000696092_200015260668 [0,1,0,0,0,0|2,0,1]=4 433 B11R1.17 O=CCSc1ncccc1Br 62a_200015260668_100000696092 [0,1,0,0,0,0|2,0,1]=4 434 B11R1.17 O=CCSc1ncccc1Cl 62a_100011356963_200015260668 [0,1,0,0,0,0|2,0,1]=4 435 B11R1.17 O=CCSc1ncccc1Cl 62a_200015260668_100011356963 [0,1,0,0,0,0|2,0,1]=4 436 B11R1.17 O=CCSc1ncccc1F 62a_100000685392_200015260668 [0,1,0,0,0,0|2,0,1]=4 437 B11R1.17 O=CCSc1ncccc1F 62a_200015260668_100000685392 [0,1,0,0,0,0|2,0,1]=4 438 B11R1.17 O=CCSc1ncccc1O 62a_100000034122_200015260668 [0,1,0,0,0,0|2,0,1]=4 439 B11R1.17 O=CCSc1ncccc1O 62a_200015260668_100000034122 [0,1,0,0,0,0|2,0,1]=4 440 B11R1.24 C=CCNc1cccc(c1)Br 34a_100000210019_100015514636 [0,1,0,0,0,0|2,0,1]=4 441 B11R1.24 C=CCNc1cccc(c1)C 2230a_100000188690_100000210623 [0,1,0,0,0,0|2,0,1]=4 442 B11R1.24 C=CCNc1cccc(c1)C 34a_100000188690_100015514636 [0,1,0,0,0,0|2,0,1]=4 443 B11R1.24 C=CCNc1cccc(c1)Cl 34a_100000185859_100015514636 [0,1,0,0,0,0|2,0,1]=4 444 B11R1.24 C=CCNc1cccc(c1)F 34a_100000210047_100015514636 [0,1,0,0,0,0|2,0,1]=4 445 B11R1.24 C=CCNc1cccc(c1)I 34a_100000211102_100015514636 [0,1,0,0,0,0|2,0,1]=4 446 B11R1.24 C=CCNc1cccc(c1)O 34a_100000210217_100015514636 [0,1,0,0,0,0|2,0,1]=4 447 B11R1.24 C=CCOc1cccc(c1)Br 34a_100000210342_100015514636 [0,1,0,0,0,0|2,0,1]=4 448 B11R1.24 C=CCOc1cccc(c1)Br 7a_100000210342_100015514636 [0,1,0,0,0,0|2,0,1]=4 449 B11R1.24 C=CCOc1cccc(c1)C 34a_100000210337_100015514636 [0,1,0,0,0,0|2,0,1]=4 450 B11R1.24 C=CCOc1cccc(c1)C 7a_100000210337_100015514636 [0,1,0,0,0,0|2,0,1]=4 451 B11R1.24 C=CCOc1cccc(c1)Cl 34a_100000210295_100015514636 [0,1,0,0,0,0|2,0,1]=4 452 B11R1.24 C=CCOc1cccc(c1)Cl 7a_100000210295_100015514636 [0,1,0,0,0,0|2,0,1]=4 453 B11R1.24 C=CCOc1cccc(c1)F 34a_100000210426_100015514636 [0,1,0,0,0,0|2,0,1]=4 454 B11R1.24 C=CCOc1cccc(c1)F 7a_100000210426_100015514636 [0,1,0,0,0,0|2,0,1]=4 455 B11R1.24 C=CCOc1cccc(c1)I 34a_100000211634_100015514636 [0,1,0,0,0,0|2,0,1]=4 456 B11R1.24 C=CCOc1cccc(c1)I 7a_100000211634_100015514636 [0,1,0,0,0,0|2,0,1]=4 457 B11R1.24 C=CCOc1cccc(c1)N 34a_100000210217_100015514636 [0,1,0,0,0,0|2,0,1]=4 458 B11R1.24 C=CCSc1cccc(c1)Br 62a_100000210623_100000691529 [0,1,0,0,0,0|2,0,1]=4 459 B11R1.24 C=CCSc1cccc(c1)Br 62a_100000691529_100000210623 [0,1,0,0,0,0|2,0,1]=4 460 B11R1.24 C=CCSc1cccc(c1)C 62a_100000210623_100011215228 [0,1,0,0,0,0|2,0,1]=4 461 B11R1.24 C=CCSc1cccc(c1)C 62a_100011215228_100000210623 [0,1,0,0,0,0|2,0,1]=4 462 B11R1.24 C=CCSc1cccc(c1)Cl 62a_100000210623_100000699651 [0,1,0,0,0,0|2,0,1]=4 463 B11R1.24 C=CCSc1cccc(c1)Cl 62a_100000699651_100000210623 [0,1,0,0,0,0|2,0,1]=4 464 B11R1.24 C=CCSc1cccc(c1)F 62a_100000210623_100000685547 [0,1,0,0,0,0|2,0,1]=4 465 B11R1.24 C=CCSc1cccc(c1)F 62a_100000685547_100000210623 [0,1,0,0,0,0|2,0,1]=4 466 B11R1.24 C=CCSc1cccc(c1)N 62a_100000210019_100000210623 [0,1,0,0,0,0|2,0,1]=4 467 B11R1.24 C=CCSc1cccc(c1)N 62a_100000210623_100000210019 [0,1,0,0,0,0|2,0,1]=4 468 B11R1.24 C=CCSc1cccc(c1)O 62a_100000210623_100000211634 [0,1,0,0,0,0|2,0,1]=4 469 B11R1.24 C=CCSc1cccc(c1)[S] 62a_100000210623_114929384022 [0,1,0,0,0,0|2,0,1]=4 470 B11R1.24 C=CCSc1cccc(c1)[S] 62a_114929384022_100000210623 [0,1,0,0,0,0|2,0,1]=4 471 B11R1.24 CC=NNc1cccc(c1)Br 4a_100000217339_200000210099 [0,1,0,0,0,0|3,0,0]=4 472 B11R1.24 CC=NNc1cccc(c1)C 4a_100000681630_200000210099 [0,1,0,0,0,0|3,0,0]=4 473 B11R1.24 CC=NNc1cccc(c1)Cl 4a_100000184277_200000210099 [0,1,0,0,0,0|3,0,0]=4 474 B11R1.24 CC=NNc1cccc(c1)F 4a_100000745080_200000210099 [0,1,0,0,0,0|3,0,0]=4 475 B11R1.24 CC=NNc1cccc(c1)I 4a_100020605690_200000210099 [0,1,0,0,0,0|3,0,0]=4 476 B11R1.24 C[n+]1cccc(c1)SCC=O 62a_100009996589_200015260668 [0,1,0,0,0,0|2,0,1]=4 477 B11R1.24 C[n+]1cccc(c1)SCC=O 62a_200015260668_100009996589 [0,1,0,0,0,0|2,0,1]=4 478 B11R1.24 Cc1cc(ccn1)OCC=O 34a_100000688365_200009817547 [0,1,0,0,0,0|2,0,1]=4 479 B11R1.24 Cc1cc(ccn1)SCC=O 62a_100000758586_200015260668 [0,1,0,0,0,0|2,0,1]=4 480 B11R1.24 Cc1cc(ccn1)SCC=O 62a_200015260668_100000758586 [0,1,0,0,0,0|2,0,1]=4 481 B11R1.24 Cc1cccc(c1)NCC=O 2230a_100000188690_200015260668 [0,1,0,0,0,0|1,0,1]=3 482 B11R1.24 Cc1cccc(c1)NCC=O 34a_100000188690_200009817547 [0,1,0,0,0,0|1,0,1]=3 483 B11R1.24 Cc1cccc(c1)OCC=O 34a_100000210337_200009817547 [0,1,0,0,0,0|1,0,1]=3 484 B11R1.24 Cc1cccc(c1)OCC=O 7a_100000210337_200015260668 [0,1,0,0,0,0|1,0,1]=3 485 B11R1.24 Cc1cccc(c1)SCC=O 62a_100011215228_200015260668 [0,1,0,0,0,0|1,0,1]=3 486 B11R1.24 Cc1cccc(c1)SCC=O 62a_200015260668_100011215228 [0,1,0,0,0,0|1,0,1]=3 487 B11R1.24 Cc1cccc(n1)SCC=O 62a_100000742759_200015260668 [0,1,0,0,0,0|2,0,1]=4 488 B11R1.24 Cc1cccc(n1)SCC=O 62a_200015260668_100000742759 [0,1,0,0,0,0|2,0,1]=4 489 B11R1.24 Cc1ccnc(c1)SCC=O 62a_100000750283_200015260668 [0,1,0,0,0,0|2,0,1]=4 490 B11R1.24 Cc1ccnc(c1)SCC=O 62a_200015260668_100000750283 [0,1,0,0,0,0|2,0,1]=4 491 B11R1.24 Cc1cncc(c1)OCC=O 34a_100011830280_200009817547 [0,1,0,0,0,0|2,0,1]=4 492 B11R1.24 Cc1cncc(c1)OCC=O 7a_100011830280_200015260668 [0,1,0,0,0,0|2,0,1]=4 493 B11R1.24 Cc1cncc(c1)SCC=O 62a_100000760492_200015260668 [0,1,0,0,0,0|2,0,1]=4 494 B11R1.24 Cc1cncc(c1)SCC=O 62a_200015260668_100000760492 [0,1,0,0,0,0|2,0,1]=4 495 B11R1.24 Nc1cc(ccn1)OCC=O 34a_100011834064_200009817547 [0,1,0,0,0,0|2,0,1]=4 496 B11R1.24 Nc1cc(ccn1)SCC=O 62a_100000049665_200015260668 [0,1,0,0,0,0|2,0,1]=4 497 B11R1.24 Nc1cc(ccn1)SCC=O 62a_200015260668_100000049665 [0,1,0,0,0,0|2,0,1]=4 498 B11R1.24 Nc1cccc(c1)OCC=O 34a_100000210217_200009817547 [0,1,0,0,0,0|1,0,1]=3 499 B11R1.24 Nc1cccc(c1)SCC=O 62a_100000210019_200015260668 [0,1,0,0,0,0|1,0,1]=3 500 B11R1.24 Nc1cccc(c1)SCC=O 62a_200015260668_100000210019 [0,1,0,0,0,0|1,0,1]=3 501 B11R1.24 Nc1cccc(n1)SCC=O 62a_100000740741_200015260668 [0,1,0,0,0,0|2,0,1]=4 502 B11R1.24 Nc1cccc(n1)SCC=O 62a_200015260668_100000740741 [0,1,0,0,0,0|2,0,1]=4 503 B11R1.24 Nc1ccnc(c1)SCC=O 62a_100009814236_200015260668 [0,1,0,0,0,0|2,0,1]=4 504 B11R1.24 Nc1ccnc(c1)SCC=O 62a_200015260668_100009814236 [0,1,0,0,0,0|2,0,1]=4 505 B11R1.24 Nc1cncc(c1)OCC=O 34a_100011997051_200009817547 [0,1,0,0,0,0|2,0,1]=4 506 B11R1.24 Nc1cncc(c1)SCC=O 62a_100000687067_200015260668 [0,1,0,0,0,0|2,0,1]=4 507 B11R1.24 Nc1cncc(c1)SCC=O 62a_200015260668_100000687067 [0,1,0,0,0,0|2,0,1]=4 508 B11R1.24 O=CCNc1cccc(c1)Br 34a_100000210019_200009817547 [0,1,0,0,0,0|1,0,1]=3 509 B11R1.24 O=CCNc1cccc(c1)Cl 34a_100000185859_200009817547 [0,1,0,0,0,0|1,0,1]=3 510 B11R1.24 O=CCNc1cccc(c1)F 34a_100000210047_200009817547 [0,1,0,0,0,0|1,0,1]=3 511 B11R1.24 O=CCNc1cccc(c1)I 34a_100000211102_200009817547 [0,1,0,0,0,0|1,0,1]=3 512 B11R1.24 O=CCNc1cccc(c1)O 34a_100000210217_200009817547 [0,1,0,0,0,0|1,0,1]=3 513 B11R1.24 O=CCOc1cc[nH]c(=O)c1 34a_100000032262_200009817547 [0,1,0,0,0,0|2,0,1]=4 514 B11R1.24 O=CCOc1ccc[n+](c1)[O-] 34a_100000039713_200009817547 [0,1,0,0,0,0|2,0,1]=4 515 B11R1.24 O=CCOc1ccc[n+](c1)[O-] 7a_100000039713_200015260668 [0,1,0,0,0,0|2,0,1]=4 516 B11R1.24 O=CCOc1cccc(=O)[nH]1 34a_100000033347_200009817547 [0,1,0,0,0,0|2,0,1]=4 517 B11R1.24 O=CCOc1cccc(c1)Br 34a_100000210342_200009817547 [0,1,0,0,0,0|1,0,1]=3 518 B11R1.24 O=CCOc1cccc(c1)Br 7a_100000210342_200015260668 [0,1,0,0,0,0|1,0,1]=3 519 B11R1.24 O=CCOc1cccc(c1)Cl 34a_100000210295_200009817547 [0,1,0,0,0,0|1,0,1]=3 520 B11R1.24 O=CCOc1cccc(c1)Cl 7a_100000210295_200015260668 [0,1,0,0,0,0|1,0,1]=3 521 B11R1.24 O=CCOc1cccc(c1)F 34a_100000210426_200009817547 [0,1,0,0,0,0|1,0,1]=3 522 B11R1.24 O=CCOc1cccc(c1)F 7a_100000210426_200015260668 [0,1,0,0,0,0|1,0,1]=3 523 B11R1.24 O=CCOc1cccc(c1)I 34a_100000211634_200009817547 [0,1,0,0,0,0|1,0,1]=3 524 B11R1.24 O=CCOc1cccc(c1)I 7a_100000211634_200015260668 [0,1,0,0,0,0|1,0,1]=3 525 B11R1.24 O=CCOc1cccc(n1)F 34a_100011432558_200009817547 [0,1,0,0,0,0|2,0,1]=4 526 B11R1.24 O=CCOc1ccnc(c1)Cl 34a_100000762945_200009817547 [0,1,0,0,0,0|2,0,1]=4 527 B11R1.24 O=CCOc1ccnc(c1)F 34a_100000732698_200009817547 [0,1,0,0,0,0|2,0,1]=4 528 B11R1.24 O=CCOc1cncc(c1)Br 34a_100000754920_200009817547 [0,1,0,0,0,0|2,0,1]=4 529 B11R1.24 O=CCOc1cncc(c1)Br 7a_100000754920_200015260668 [0,1,0,0,0,0|2,0,1]=4 530 B11R1.24 O=CCOc1cncc(c1)Cl 7a_100000032511_200015260668 [0,1,0,0,0,0|2,0,1]=4 531 B11R1.24 O=CCOc1cncc(c1)F 34a_100011830296_200009817547 [0,1,0,0,0,0|2,0,1]=4 532 B11R1.24 O=CCOc1cncc(c1)F 7a_100011830296_200015260668 [0,1,0,0,0,0|2,0,1]=4 533 B11R1.24 O=CCSc1cc(=O)cc[nH]1 62a_100009817434_200015260668 [0,1,0,0,0,0|2,0,1]=4 534 B11R1.24 O=CCSc1cc(ccn1)Cl 62a_100010167805_200015260668 [0,1,0,0,0,0|2,0,1]=4 535 B11R1.24 O=CCSc1cc(ccn1)Cl 62a_200015260668_100010167805 [0,1,0,0,0,0|2,0,1]=4 536 B11R1.24 O=CCSc1cc(ccn1)F 62a_100000764206_200015260668 [0,1,0,0,0,0|2,0,1]=4 537 B11R1.24 O=CCSc1cc(ccn1)F 62a_200015260668_100000764206 [0,1,0,0,0,0|2,0,1]=4 538 B11R1.24 O=CCSc1cc(ccn1)O 62a_200015260668_100000762945 [0,1,0,0,0,0|2,0,1]=4 539 B11R1.24 O=CCSc1cc[nH]c(=O)c1 62a_100009816521_200015260668 [0,1,0,0,0,0|2,0,1]=4 540 B11R1.24 O=CCSc1cc[nH]c(=O)c1 62a_200015260668_100009816521 [0,1,0,0,0,0|2,0,1]=4 541 B11R1.24 O=CCSc1ccc[n+](c1)[O-] 62a_200015260668_100009815978 [0,1,0,0,0,0|2,0,1]=4 542 B11R1.24 O=CCSc1cccc(=O)[nH]1 62a_200015260668_100000752884 [0,1,0,0,0,0|2,0,1]=4 543 B11R1.24 O=CCSc1cccc(c1)Br 62a_100000691529_200015260668 [0,1,0,0,0,0|1,0,1]=3 544 B11R1.24 O=CCSc1cccc(c1)Br 62a_200015260668_100000691529 [0,1,0,0,0,0|1,0,1]=3 545 B11R1.24 O=CCSc1cccc(c1)Cl 62a_100000699651_200015260668 [0,1,0,0,0,0|1,0,1]=3 546 B11R1.24 O=CCSc1cccc(c1)Cl 62a_200015260668_100000699651 [0,1,0,0,0,0|1,0,1]=3 547 B11R1.24 O=CCSc1cccc(c1)F 62a_100000685547_200015260668 [0,1,0,0,0,0|1,0,1]=3 548 B11R1.24 O=CCSc1cccc(c1)F 62a_200015260668_100000685547 [0,1,0,0,0,0|1,0,1]=3 549 B11R1.24 O=CCSc1cccc(c1)O 62a_200015260668_100000211634 [0,1,0,0,0,0|1,0,1]=3 550 B11R1.24 O=CCSc1cccc(c1)[S] 62a_114929384022_200015260668 [0,1,0,0,0,0|1,0,1]=3 551 B11R1.24 O=CCSc1cccc(c1)[S] 62a_200015260668_114929384022 [0,1,0,0,0,0|1,0,1]=3 552 B11R1.24 O=CCSc1cccc(n1)Br 62a_100000684672_200015260668 [0,1,0,0,0,0|2,0,1]=4 553 B11R1.24 O=CCSc1cccc(n1)Br 62a_200015260668_100000684672 [0,1,0,0,0,0|2,0,1]=4 554 B11R1.24 O=CCSc1cccc(n1)Cl 62a_100000051397_200015260668 [0,1,0,0,0,0|2,0,1]=4 555 B11R1.24 O=CCSc1cccc(n1)Cl 62a_200015260668_100000051397 [0,1,0,0,0,0|2,0,1]=4 556 B11R1.24 O=CCSc1cccc(n1)F 62a_100009815982_200015260668 [0,1,0,0,0,0|2,0,1]=4 557 B11R1.24 O=CCSc1cccc(n1)F 62a_200015260668_100009815982 [0,1,0,0,0,0|2,0,1]=4 558 B11R1.24 O=CCSc1ccnc(c1)Br 62a_100009814637_200015260668 [0,1,0,0,0,0|2,0,1]=4 559 B11R1.24 O=CCSc1ccnc(c1)Br 62a_200015260668_100009814637 [0,1,0,0,0,0|2,0,1]=4 560 B11R1.24 O=CCSc1ccnc(c1)Cl 62a_100000035001_200015260668 [0,1,0,0,0,0|2,0,1]=4 561 B11R1.24 O=CCSc1ccnc(c1)Cl 62a_200015260668_100000035001 [0,1,0,0,0,0|2,0,1]=4 562 B11R1.24 O=CCSc1ccnc(c1)F 62a_100009816116_200015260668 [0,1,0,0,0,0|2,0,1]=4 563 B11R1.24 O=CCSc1ccnc(c1)F 62a_200015260668_100009816116 [0,1,0,0,0,0|2,0,1]=4 564 B11R1.24 O=CCSc1cncc(c1)Br 62a_100000728054_200015260668 [0,1,0,0,0,0|2,0,1]=4 565 B11R1.24 O=CCSc1cncc(c1)Br 62a_200015260668_100000728054 [0,1,0,0,0,0|2,0,1]=4 566 B11R1.24 O=CCSc1cncc(c1)Cl 62a_100000049639_200015260668 [0,1,0,0,0,0|2,0,1]=4 567 B11R1.24 O=CCSc1cncc(c1)Cl 62a_200015260668_100000049639 [0,1,0,0,0,0|2,0,1]=4 568 B11R1.24 O=CCSc1cncc(c1)F 62a_100000744099_200015260668 [0,1,0,0,0,0|2,0,1]=4 569 B11R1.24 O=CCSc1cncc(c1)F 62a_200015260668_100000744099 [0,1,0,0,0,0|2,0,1]=4 570 B11R1.24 O=CCSc1cncc(c1)O 62a_100000754920_200015260668 [0,1,0,0,0,0|2,0,1]=4 571 B11R1.24 O=CCSc1cncc(c1)O 62a_200015260668_100000754920 [0,1,0,0,0,0|2,0,1]=4 572 B11R1.24 O=CNNc1cccc(n1)O 271570a_203496583355_200000117525 [0,1,0,0,0,0|3,0,0]=4 573 B11R1.28 C/C=C/CNc1ccccc1 34a_100000106764_100102629194 [0,1,0,0,0,0|1,0,1]=3 574 B11R1.28 C/C=C/COc1ccccc1 34a_100000210340_100102629194 [0,1,0,0,0,0|1,0,1]=3 575 B11R1.28 C/C=C/COc1ccccc1 7a_100000210340_100102629194 [0,1,0,0,0,0|1,0,1]=3 576 B11R1.28 C/C=C/COc1cccnc1 34a_100000210849_100102629194 [0,1,0,0,0,0|2,0,1]=4 577 B11R1.28 C/C=C/COc1cccnc1 7a_100000210849_100102629194 [0,1,0,0,0,0|2,0,1]=4 578 B11R1.28 C/C=C/COc1ccncc1 34a_100000212176_100102629194 [0,1,0,0,0,0|2,0,1]=4 579 B11R1.28 C/C=C/CSc1ccccc1 62a_100000719477_100102629194 [0,1,0,0,0,0|1,0,1]=3 580 B11R1.28 C/C=C/CSc1ccccc1 62a_100102629194_100000041952 [0,1,0,0,0,0|1,0,1]=3 581 B11R1.28 C/C=C/CSc1ccccn1 62a_100011216584_100102629194 [0,1,0,0,0,0|2,0,1]=4 582 B11R1.28 C/C=C/CSc1ccccn1 62a_100102629194_100011216584 [0,1,0,0,0,0|2,0,1]=4 583 B11R1.28 C/C=C/CSc1cccnc1 62a_100000210063_100102629194 [0,1,0,0,0,0|2,0,1]=4 584 B11R1.28 C/C=C/CSc1cccnc1 62a_100102629194_100000210063 [0,1,0,0,0,0|2,0,1]=4 585 B11R1.28 C/C=C/CSc1ccncc1 62a_100000728582_100102629194 [0,1,0,0,0,0|2,0,1]=4 586 B11R1.28 C/C=C/CSc1ccncc1 62a_100102629194_100000728582 [0,1,0,0,0,0|2,0,1]=4 587 B11R1.28 C=CCCNc1ccccc1 34a_100000106764_100000754431 [0,1,0,0,0,0|1,0,2]=4 588 B11R1.28 C=CCCOc1ccccc1 34a_100000210340_100000754431 [0,1,0,0,0,0|1,0,2]=4 589 B11R1.28 C=CCCOc1ccccc1 7a_100000210340_100000754431 [0,1,0,0,0,0|1,0,2]=4 590 B11R1.28 C=CCCSc1ccccc1 62a_100000719477_100000754431 [0,1,0,0,0,0|1,0,2]=4 591 B11R1.28 C=CCCSc1ccccc1 62a_100000754431_100000041952 [0,1,0,0,0,0|1,0,2]=4 592 B11R1.28 C=CCNCc1ccccc1 2230a_100015324214_100000210623 [0,1,0,0,0,0|1,0,2]=4 593 B11R1.28 C=CCNCc1ccccc1 2230a_100020586998_100015291786 [0,1,0,0,0,0|1,0,2]=4 594 B11R1.28 C=CCNCc1ccccc1 270004a_100020586998_100015611070 [0,1,0,0,0,0|1,0,2]=4 595 B11R1.28 C=CCNCc1ccccc1 34a_100015324214_100015514636 [0,1,0,0,0,0|1,0,2]=4 596 B11R1.28 C=CCOCc1ccccc1 34a_100000210790_100015514636 [0,1,0,0,0,0|1,0,2]=4 597 B11R1.28 C=CCOCc1ccccc1 34a_200000210373_100015291786 [0,1,0,0,0,0|1,0,2]=4 598 B11R1.28 C=CCOCc1ccccc1 7a_100000210790_100015514636 [0,1,0,0,0,0|1,0,2]=4 599 B11R1.28 C=CCSCc1ccccc1 62a_100000210623_100015291786 [0,1,0,0,0,0|1,0,2]=4 600 B11R1.28 C=CCSCc1ccccc1 62a_100000211182_100000210623 [0,1,0,0,0,0|1,0,2]=4 601 B11R1.28 CC=CCNc1ccccc1 34a_100000106764_100000070051 [0,1,0,0,0,0|1,0,1]=3 602 B11R1.28 CC=CCOc1ccccc1 34a_100000210340_100000070051 [0,1,0,0,0,0|1,0,1]=3 603 B11R1.28 CC=CCOc1ccccc1 7a_100000210340_100000070051 [0,1,0,0,0,0|1,0,1]=3 604 B11R1.28 CC=CCOc1cccnc1 34a_100000210849_100000070051 [0,1,0,0,0,0|2,0,1]=4 605 B11R1.28 CC=CCOc1cccnc1 7a_100000210849_100000070051 [0,1,0,0,0,0|2,0,1]=4 606 B11R1.28 CC=CCOc1ccncc1 34a_100000212176_100000070051 [0,1,0,0,0,0|2,0,1]=4 607 B11R1.28 CC=CCSc1ccccc1 62a_100000070051_100000041952 [0,1,0,0,0,0|1,0,1]=3 608 B11R1.28 CC=CCSc1ccccc1 62a_100000719477_100000070051 [0,1,0,0,0,0|1,0,1]=3 609 B11R1.28 CC=CCSc1ccccn1 62a_100000070051_100011216584 [0,1,0,0,0,0|2,0,1]=4 610 B11R1.28 CC=CCSc1ccccn1 62a_100011216584_100000070051 [0,1,0,0,0,0|2,0,1]=4 611 B11R1.28 CC=CCSc1cccnc1 62a_100000070051_100000210063 [0,1,0,0,0,0|2,0,1]=4 612 B11R1.28 CC=CCSc1cccnc1 62a_100000210063_100000070051 [0,1,0,0,0,0|2,0,1]=4 613 B11R1.28 CC=CCSc1ccncc1 62a_100000070051_100000728582 [0,1,0,0,0,0|2,0,1]=4 614 B11R1.28 CC=CCSc1ccncc1 62a_100000728582_100000070051 [0,1,0,0,0,0|2,0,1]=4 615 B11R1.28 CC=NNCc1ccccc1 4a_100000007032_200000210099 [0,1,0,0,0,0|2,0,1]=4 616 B11R1.28 CCC=NNc1ccccc1 4a_100015195140_100000210100 [0,1,0,0,0,0|2,0,1]=4 617 B11R1.28 CCCC=Cc1ccccc1 271570a_100016258520_100000210277 [0,1,0,0,0,0|1,0,1]=3 618 B11R1.28 CCCC=Cc1ccccn1 271570a_100016258520_100011216584 [0,1,0,0,0,0|2,0,1]=4 619 B11R1.28 CCCC=Cc1cccnc1 271570a_100016258520_100000752921 [0,1,0,0,0,0|2,0,1]=4 620 B11R1.28 CCCC=Cc1ccncc1 271570a_100016258520_100000035832 [0,1,0,0,0,0|2,0,1]=4 621 B11R1.28 CCNN=Cc1ccccc1 4a_100000756455_100015611070 [0,1,0,0,0,0|2,0,1]=4 622 B11R1.28 CCOC=Cc1ccccc1 271570a_100016256518_100000210277 [0,1,0,0,0,0|1,0,1]=3 623 B11R1.28 CCOC=Cc1ccccn1 271570a_100016256518_100011216584 [0,1,0,0,0,0|2,0,1]=4 624 B11R1.28 CCOC=Cc1cccnc1 271570a_100016256518_100000752921 [0,1,0,0,0,0|2,0,1]=4 625 B11R1.28 CCOC=Cc1ccncc1 271570a_100016256518_100000035832 [0,1,0,0,0,0|2,0,1]=4 626 B11R1.28 CNC/C=C/c1ccccc1 2230a_100020603302_200000210301 [0,1,0,0,0,0|1,0,1]=3 627 B11R1.28 CNC/C=C/c1ccccc1 2230a_106832991635_100016265936 [0,1,0,0,0,0|1,0,1]=3 628 B11R1.28 CNC/C=C/c1ccccc1 34a_100020603302_200000210301 [0,1,0,0,0,0|1,0,1]=3 629 B11R1.28 CNC/C=C/c1ccccc1 34a_100102657272_100016265936 [0,1,0,0,0,0|1,0,1]=3 630 B11R1.28 CNC/C=C/c1ccccc1 7a_106832991635_100016265936 [0,1,0,0,0,0|1,0,1]=3 631 B11R1.28 CNCC=Cc1ccccc1 270004a_106832991635_100000210105 [0,1,0,0,0,0|1,0,1]=3 632 B11R1.28 COC/C=C/c1ccccc1 34a_100000210256_200000210301 [0,1,0,0,0,0|0,0,2]=3 633 B11R1.28 COC/C=C/c1ccccc1 34a_100138415774_100016265936 [0,1,0,0,0,0|0,0,2]=3 634 B11R1.28 COC/C=C/c1cccnc1 34a_200102594124_200000210301 [0,1,0,0,0,0|1,0,2]=4 635 B11R1.28 COCC=Cc1ccccc1 271570a_100016286323_100000210277 [0,1,0,0,0,0|0,0,2]=3 636 B11R1.28 COCC=Cc1ccccn1 271570a_100016286323_100011216584 [0,1,0,0,0,0|1,0,2]=4 637 B11R1.28 COCC=Cc1cccnc1 271570a_100016286323_100000752921 [0,1,0,0,0,0|1,0,2]=4 638 B11R1.28 COCC=Cc1ccncc1 271570a_100016286323_100000035832 [0,1,0,0,0,0|1,0,2]=4 639 B11R1.28 CSC/C=C/c1ccccc1 62a_100016265936_200000210301 [0,1,0,0,0,0|0,1,1]=3 640 B11R1.28 CSC/C=C/c1ccccc1 62a_200000210301_100016265936 [0,1,0,0,0,0|0,1,1]=3 641 B11R1.28 O=CCNCc1ccccc1 2230a_100015324214_200015260668 [0,1,0,0,0,0|0,0,2]=3 642 B11R1.28 O=CCNCc1ccccc1 34a_100015324214_200009817547 [0,1,0,0,0,0|0,0,2]=3 643 B11R1.28 O=CCOCc1ccccc1 34a_100000210790_200009817547 [0,1,0,0,0,0|0,0,2]=3 644 B11R1.28 O=CCOCc1ccccc1 7a_100000210790_200015260668 [0,1,0,0,0,0|0,0,2]=3 645 B11R1.28 O=CCSCc1ccccc1 62a_100000211182_200015260668 [0,1,0,0,0,0|0,0,2]=3 646 B11R1.28 O=CCSCc1ccccc1 62a_200015260668_100015291786 [0,1,0,0,0,0|0,0,2]=3 647 B11R1.28 O=CCSCc1ccccn1 62a_100000721315_200015260668 [0,1,0,0,0,0|1,0,2]=4 648 B11R1.28 O=CCSCc1ccccn1 62a_200015260668_100000721315 [0,1,0,0,0,0|1,0,2]=4 649 B11R1.28 O=CCSCc1cccnc1 62a_100000741622_200015260668 [0,1,0,0,0,0|1,0,2]=4 650 B11R1.28 O=CCSCc1cccnc1 62a_200015260668_100000741622 [0,1,0,0,0,0|1,0,2]=4 651 B11R1.28 O=CCSCc1ccncc1 62a_100015193705_200015260668 [0,1,0,0,0,0|1,0,2]=4 652 B11R1.28 O=CCSCc1ccncc1 62a_200015260668_100015193705 [0,1,0,0,0,0|1,0,2]=4 653 B11R1.28 [13CH3]NC/C=C/c1ccccc1 2230a_100020603302_200025704644 [0,1,0,0,0,0|1,0,1]=3 654 B11R1.28 [13CH3]NC/C=C/c1ccccc1 34a_100020603302_200025704644 [0,1,0,0,0,0|1,0,1]=3 655 B11R1.28 [13CH3]OC/C=C/c1ccccc1 34a_100000210256_200025704644 [0,1,0,0,0,0|0,0,2]=3 656 B11R1.28 [13CH3]OC/C=C/c1cccnc1 34a_200102594124_200025704644 [0,1,0,0,0,0|1,0,2]=4 657 B11R1.28 [13CH3]SC/C=C/c1ccccc1 62a_100016265936_200025704644 [0,1,0,0,0,0|0,1,1]=3 658 B11R1.28 [13CH3]SC/C=C/c1ccccc1 62a_200025704644_100016265936 [0,1,0,0,0,0|0,1,1]=3 659 B11R1.40 C#CC(=O)Cc1ccccc1 1458a_100000211873_100015291786 [0,1,0,0,0,0|1,0,2]=4 660 B11R1.40 C=CC(=O)Cc1ccccc1 1458a_100000185746_100015291786 [0,1,0,0,0,0|1,0,1]=3 661 B11R1.40 C=CC(=O)Cc1ccccn1 1458a_100000185746_100000721315 [0,1,0,0,0,0|2,0,1]=4 662 B11R1.40 C=CC(=O)Cc1cccnc1 1458a_100000185746_100000733263 [0,1,0,0,0,0|2,0,1]=4 663 B11R1.40 C=CC(=O)Cc1ccncc1 1458a_100000185746_100000705612 [0,1,0,0,0,0|2,0,1]=4 664 B11R1.40 C=CC(=O)Nc1ccccc1 1626a_100000106764_100000185746 [0,1,0,0,0,0|2,0,0]=3 665 B11R1.40 C=CC(=O)Nc1ccccc1 22a_100000106764_100000185746 [0,1,0,0,0,0|2,0,0]=3 666 B11R1.40 C=CC(C)Sc1ccccc1 62a_100011215867_100000041952 [0,1,0,0,0,0|2,0,1]=4 667 B11R1.40 CCC(=O)Cc1ccccc1 1458a_100000210414_100015291786 [0,1,0,0,0,0|1,0,2]=4 668 B11R1.40 CCC(=O)Nc1ccccc1 11a_100000106764_100000210414 [0,1,0,0,0,0|2,0,1]=4 669 B11R1.40 CCC(=O)Nc1ccccc1 1626a_100000106764_100000210414 [0,1,0,0,0,0|2,0,1]=4 670 B11R1.40 CCC(=O)Nc1ccccc1 22a_100000106764_100000210414 [0,1,0,0,0,0|2,0,1]=4 671 B11R1.40 CCC(=O)Nc1ccccc1 527a_100000106764_100000210414 [0,1,0,0,0,0|2,0,1]=4 672 B11R1.40 CNC(=O)Nc1ccccc1 2430a_100000106764_100102657272 [0,1,0,0,0,0|3,0,0]=4 673 B11R1.40 O=C(CO)Cc1ccccc1 1458a_100000210174_100015291786 [0,1,0,0,0,0|0,0,3]=4 674 B11R1.40 O=C(CO)Nc1ccccc1 22a_100000106764_100000210174 [0,1,0,0,0,0|1,0,2]=4 675 B11R1.40 O=C(CO)Nc1ccccc1 527a_100000106764_100000210174 [0,1,0,0,0,0|1,0,2]=4 676 B11R1.91 C=C(C)CNc1ccccc1 34a_100000106764_100000748629 [0,1,0,0,0,0|2,0,1]=4 677 B11R1.91 C=C(C)COc1ccccc1 34a_100000210340_100000748629 [0,1,0,0,0,0|2,0,1]=4 678 B11R1.91 C=C(C)COc1ccccc1 7a_100000210340_100000748629 [0,1,0,0,0,0|2,0,1]=4 679 B11R1.91 C=C(C)CSc1ccccc1 62a_100000719477_100000211660 [0,1,0,0,0,0|2,0,1]=4 680 B11R1.91 C=C(C)CSc1ccccc1 62a_100000748629_100000041952 [0,1,0,0,0,0|2,0,1]=4 681 B11R1.91 C=C(F)CNc1ccccc1 34a_100000106764_100009893438 [0,1,0,0,0,0|2,0,1]=4 682 B11R1.91 C=C(F)COc1ccccc1 34a_100000210340_100009893438 [0,1,0,0,0,0|2,0,1]=4 683 B11R1.91 C=C(F)COc1ccccc1 7a_100000210340_100000042424 [0,1,0,0,0,0|2,0,1]=4 684 B11R1.91 C=C(F)CSc1ccccc1 62a_100000042424_100000041952 [0,1,0,0,0,0|2,0,1]=4 685 B11R1.91 C=C(F)CSc1ccccc1 62a_100000719477_100000042424 [0,1,0,0,0,0|2,0,1]=4 686 B11R1.91 CC(=O)C#Cc1ccccc1 1458a_100000736102_200000210301 [0,1,0,0,0,0|0,0,2]=3 687 B11R1.91 CC(=O)C#Cc1ccccn1 1458a_102125277312_200000210301 [0,1,0,0,0,0|1,0,2]=4 688 B11R1.91 CC(=O)C=Cc1ccccc1 1458a_100000210462_200000210301 [0,1,0,0,0,0|0,0,0]=1 689 B11R1.91 CC(=O)C=Cc1ccccn1 1458a_100000740811_200000210301 [0,1,0,0,0,0|1,0,0]=2 690 B11R1.91 CC(=O)C=Cc1cccnc1 1458a_100000735890_200000210301 [0,1,0,0,0,0|1,0,0]=2 691 B11R1.91 CC(=O)C=Cc1ccncc1 1458a_100000682801_200000210301 [0,1,0,0,0,0|1,0,0]=2 692 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000070787_100000765856 [0,1,0,0,0,0|0,0,2]=3 693 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000185753_200000210301 [0,1,0,0,0,0|0,0,2]=3 694 B11R1.91 CC(=O)CCc1ccccn1 1458a_100000070787_100015183660 [0,1,0,0,0,0|1,0,2]=4 695 B11R1.91 CC(=O)CCc1ccccn1 1458a_100015195070_200000210301 [0,1,0,0,0,0|1,0,2]=4 696 B11R1.91 CC(=O)CCc1cccnc1 1458a_100000070787_200011713674 [0,1,0,0,0,0|1,0,2]=4 697 B11R1.91 CC(=O)CCc1cccnc1 1458a_100000198484_200000210301 [0,1,0,0,0,0|1,0,2]=4 698 B11R1.91 CC(=O)CCc1ccncc1 1458a_100000070787_100000723409 [0,1,0,0,0,0|1,0,2]=4 699 B11R1.91 CC(=O)CCc1ccncc1 1458a_100011225043_200000210301 [0,1,0,0,0,0|1,0,2]=4 700 B11R1.91 CC(=O)COc1ccccc1 1458a_100000186222_200000210301 [0,1,0,0,0,0|1,0,1]=3 701 B11R1.91 CC(=O)COc1ccccn1 1458a_100102699861_200000210301 [0,1,0,0,0,0|2,0,1]=4 702 B11R1.91 CC(=O)COc1cccnc1 1458a_100015207166_200000210301 [0,1,0,0,0,0|2,0,1]=4 703 B11R1.91 CC(=O)CSc1ccccc1 1458a_100000211596_200000210301 [0,1,0,0,0,0|1,0,1]=3 704 B11R1.91 CC(=O)CSc1ccccn1 1458a_100000156281_200000210301 [0,1,0,0,0,0|2,0,1]=4 705 B11R1.91 CC(=O)CSc1ccncc1 1458a_100000211328_200000210301 [0,1,0,0,0,0|2,0,1]=4 706 B11R1.91 CC(=O)NCc1ccccc1 11a_100015324214_100015343762 [0,1,0,0,0,0|1,0,1]=3 707 B11R1.91 CC(=O)NCc1ccccc1 1626a_100015324214_100015343762 [0,1,0,0,0,0|1,0,1]=3 708 B11R1.91 CC(=O)NCc1ccccc1 240690a_100015324214_100015343762 [0,1,0,0,0,0|1,0,1]=3 709 B11R1.91 CC(=O)NCc1ccccc1 527a_100015324214_100103153847 [0,1,0,0,0,0|1,0,1]=3 710 B11R1.91 CC(=O)NCc1ccccn1 11a_100000210449_100015343762 [0,1,0,0,0,0|2,0,1]=4 711 B11R1.91 CC(=O)NCc1ccccn1 1626a_100000210449_100015343762 [0,1,0,0,0,0|2,0,1]=4 712 B11R1.91 CC(=O)NCc1ccccn1 240690a_100000210449_100015343762 [0,1,0,0,0,0|2,0,1]=4 713 B11R1.91 CC(=O)NCc1ccccn1 527a_100000210449_100103153847 [0,1,0,0,0,0|2,0,1]=4 714 B11R1.91 CC(=O)NCc1cccnc1 11a_100000210453_100015343762 [0,1,0,0,0,0|2,0,1]=4 715 B11R1.91 CC(=O)NCc1cccnc1 240690a_100000210453_100015343762 [0,1,0,0,0,0|2,0,1]=4 716 B11R1.91 CC(=O)NCc1cccnc1 527a_100000210453_100103153847 [0,1,0,0,0,0|2,0,1]=4 717 B11R1.91 CC(=O)NCc1ccncc1 11a_100000210450_100015343762 [0,1,0,0,0,0|2,0,1]=4 718 B11R1.91 CC(=O)NCc1ccncc1 1626a_100000210450_100015343762 [0,1,0,0,0,0|2,0,1]=4 719 B11R1.91 CC(=O)NCc1ccncc1 240690a_100000210450_100015343762 [0,1,0,0,0,0|2,0,1]=4 720 B11R1.91 CC(=O)NCc1ccncc1 527a_100000210450_100103153847 [0,1,0,0,0,0|2,0,1]=4 721 B11R1.91 CC(=O)NNc1ccccc1 22a_100015195140_100000070787 [0,1,0,0,0,0|2,0,0]=3 722 B11R1.91 CC(=O)NNc1ccccn1 22a_100000183288_100000070787 [0,1,0,0,0,0|3,0,0]=4 723 B11R1.91 CC(=O)NNc1cccnc1 22a_100000728903_100000070787 [0,1,0,0,0,0|3,0,0]=4 724 B11R1.91 CC(=O)NNc1ccncc1 22a_100000698918_100000070787 [0,1,0,0,0,0|3,0,0]=4 725 B11R1.91 CC(C)C=Cc1ccccc1 271570a_100016257149_100000210277 [0,1,0,0,0,0|1,0,1]=3 726 B11R1.91 CC(C)C=Cc1ccccn1 271570a_100016257149_100011216584 [0,1,0,0,0,0|2,0,1]=4 727 B11R1.91 CC(C)C=Cc1cccnc1 271570a_100016257149_100000752921 [0,1,0,0,0,0|2,0,1]=4 728 B11R1.91 CC(C)C=Cc1ccncc1 271570a_100016257149_100000035832 [0,1,0,0,0,0|2,0,1]=4 729 B11R1.91 CC(O)C=Cc1ccccc1 271570a_200011019289_100000210277 [0,1,0,0,0,0|0,0,2]=3 730 B11R1.91 CC(O)C=Cc1ccccn1 271570a_200011019289_100011216584 [0,1,0,0,0,0|1,0,2]=4 731 B11R1.91 CC(O)C=Cc1cccnc1 271570a_200011019289_100000752921 [0,1,0,0,0,0|1,0,2]=4 732 B11R1.91 CC(O)C=Cc1ccncc1 271570a_200011019289_100000035832 [0,1,0,0,0,0|1,0,2]=4 733 B11R1.91 NC(=O)CNc1ccccc1 34a_100000106764_100000187820 [0,1,0,0,0,0|1,0,1]=3 734 B11R1.91 NC(=O)COc1ccccc1 34a_100000210340_100000187820 [0,1,0,0,0,0|1,0,1]=3 735 B11R1.91 NC(=O)COc1ccccc1 7a_100000210340_100000187820 [0,1,0,0,0,0|1,0,1]=3 736 B11R1.91 NC(=O)COc1cccnc1 34a_100000210849_100000187820 [0,1,0,0,0,0|2,0,1]=4 737 B11R1.91 NC(=O)COc1cccnc1 7a_100000210849_100000187820 [0,1,0,0,0,0|2,0,1]=4 738 B11R1.91 NC(=O)COc1ccncc1 34a_100000212176_100000187820 [0,1,0,0,0,0|2,0,1]=4 739 B11R1.91 NC(=O)CSc1ccccc1 62a_100000719477_100000747473 [0,1,0,0,0,0|1,0,1]=3 740 B11R1.91 NC(=O)CSc1ccccc1 62a_100000747473_100000041952 [0,1,0,0,0,0|1,0,1]=3 741 B11R1.91 NC(=O)CSc1ccccn1 62a_100000747473_100011216584 [0,1,0,0,0,0|2,0,1]=4 742 B11R1.91 NC(=O)CSc1ccccn1 62a_100011216584_100000747473 [0,1,0,0,0,0|2,0,1]=4 743 B11R1.91 NC(=O)CSc1cccnc1 62a_100000210063_100000747473 [0,1,0,0,0,0|2,0,1]=4 744 B11R1.91 NC(=O)CSc1cccnc1 62a_100000747473_100000210063 [0,1,0,0,0,0|2,0,1]=4 745 B11R1.91 NC(=O)CSc1ccncc1 62a_100000728582_100000747473 [0,1,0,0,0,0|2,0,1]=4 746 B11R1.91 NC(=O)CSc1ccncc1 62a_100000747473_100000728582 [0,1,0,0,0,0|2,0,1]=4 747 B11R1.91 O=C([O-])CNc1ccccc1 34a_100000106764_100020667443 [0,1,0,0,0,0|1,0,1]=3 748 B11R1.91 O=C([O-])COc1ccccc1 34a_100000210340_100020667443 [0,1,0,0,0,0|1,0,1]=3 749 B11R1.91 O=C([O-])COc1cccnc1 34a_100000210849_100020667443 [0,1,0,0,0,0|2,0,1]=4 750 B11R1.91 O=C([O-])COc1ccncc1 34a_100000212176_100020667443 [0,1,0,0,0,0|2,0,1]=4 751 B11R1.91 O=C([O-])CSc1ccccc1 62a_100000719477_100020667443 [0,1,0,0,0,0|1,0,1]=3 752 B11R1.91 O=C([O-])CSc1ccccc1 62a_100020667443_100000041952 [0,1,0,0,0,0|1,0,1]=3 753 B11R1.91 O=C([O-])CSc1ccccn1 62a_100011216584_100020667443 [0,1,0,0,0,0|2,0,1]=4 754 B11R1.91 O=C([O-])CSc1ccccn1 62a_100020667443_100011216584 [0,1,0,0,0,0|2,0,1]=4 755 B11R1.91 O=C([O-])CSc1cccnc1 62a_100000210063_100020667443 [0,1,0,0,0,0|2,0,1]=4 756 B11R1.91 O=C([O-])CSc1cccnc1 62a_100020667443_100000210063 [0,1,0,0,0,0|2,0,1]=4 757 B11R1.91 O=C([O-])CSc1ccncc1 62a_100000728582_100020667443 [0,1,0,0,0,0|2,0,1]=4 758 B11R1.91 O=C([O-])CSc1ccncc1 62a_100020667443_100000728582 [0,1,0,0,0,0|2,0,1]=4 759 B11R1.91 O=[N+]([O-])CNc1ccccc1 34a_100000106764_100000761209 [0,1,0,0,0,0|2,0,1]=4 760 B11R1.91 O=[N+]([O-])COc1ccccc1 34a_100000210340_100000761209 [0,1,0,0,0,0|2,0,1]=4 761 B11R1.91 O=[N+]([O-])CSc1ccccc1 62a_100000719477_100000761209 [0,1,0,0,0,0|2,0,1]=4 762 B11R1.91 [13CH3]C(=O)C#Cc1ccccc1 1458a_100000736102_200025704644 [0,1,0,0,0,0|0,0,2]=3 763 B11R1.91 [13CH3]C(=O)C#Cc1ccccn1 1458a_102125277312_200025704644 [0,1,0,0,0,0|1,0,2]=4 764 B11R1.91 [13CH3]C(=O)C=Cc1ccccc1 1458a_100000210462_200025704644 [0,1,0,0,0,0|0,0,0]=1 765 B11R1.91 [13CH3]C(=O)C=Cc1ccccn1 1458a_100000740811_200025704644 [0,1,0,0,0,0|1,0,0]=2 766 B11R1.91 [13CH3]C(=O)C=Cc1cccnc1 1458a_100000735890_200025704644 [0,1,0,0,0,0|1,0,0]=2 767 B11R1.91 [13CH3]C(=O)C=Cc1ccncc1 1458a_100000682801_200025704644 [0,1,0,0,0,0|1,0,0]=2 768 B11R1.91 [13CH3]C(=O)CCc1ccccc1 1458a_100000185753_200025704644 [0,1,0,0,0,0|0,0,2]=3 769 B11R1.91 [13CH3]C(=O)CCc1ccccn1 1458a_100015195070_200025704644 [0,1,0,0,0,0|1,0,2]=4 770 B11R1.91 [13CH3]C(=O)CCc1cccnc1 1458a_100000198484_200025704644 [0,1,0,0,0,0|1,0,2]=4 771 B11R1.91 [13CH3]C(=O)CCc1ccncc1 1458a_100011225043_200025704644 [0,1,0,0,0,0|1,0,2]=4 772 B11R1.91 [13CH3]C(=O)COc1ccccc1 1458a_100000186222_200025704644 [0,1,0,0,0,0|1,0,1]=3 773 B11R1.91 [13CH3]C(=O)COc1ccccn1 1458a_100102699861_200025704644 [0,1,0,0,0,0|2,0,1]=4 774 B11R1.91 [13CH3]C(=O)COc1cccnc1 1458a_100015207166_200025704644 [0,1,0,0,0,0|2,0,1]=4 775 B11R1.91 [13CH3]C(=O)CSc1ccccc1 1458a_100000211596_200025704644 [0,1,0,0,0,0|1,0,1]=3 776 B11R1.91 [13CH3]C(=O)CSc1ccccn1 1458a_100000156281_200025704644 [0,1,0,0,0,0|2,0,1]=4 777 B11R1.91 [13CH3]C(=O)CSc1ccncc1 1458a_100000211328_200025704644 [0,1,0,0,0,0|2,0,1]=4 778 B9R0.18 C=CC=CC(=O)C/C=C/C 1458a_100016291481_100102629194 [0,0,1,0,0,0|2,0,1]=4 779 B9R0.18 C=CC=CC(=O)CC=CC 1458a_100016291481_100000070051 [0,0,1,0,0,0|2,0,1]=4 780 B11R2.1 Oc1c[nH]c2c1cccn2 271570a_203496583355_100011934613 [0,0,0,1,0,0|2,0,1]=4 781 B11R2.1 Oc1c[nH]c2c1ccnc2 271570a_203496583355_100010232032 [0,0,0,1,0,0|2,0,1]=4 782 B11R2.1 Oc1c[nH]c2c1cncc2 271570a_203496583355_100011934843 [0,0,0,1,0,0|2,0,1]=4 783 B11R2.1 Oc1c[nH]c2c1nccc2 271570a_203496583355_100009817151 [0,0,0,1,0,0|2,0,1]=4 784 B11R2.1 Oc1cnc2n1cccc2 271570a_203496583355_100011219245 [0,0,0,1,0,0|2,0,1]=4 785 B11R2.1 Oc1cnn2c1cccc2 271570a_203496583355_100009817726 [0,0,0,1,0,0|2,0,1]=4 786 B11R2.1 Oc1coc2c1cccc2 271570a_203496583355_100009812202 [0,0,0,1,0,0|1,0,1]=3 787 B11R2.1 Oc1coc2c1nccc2 271570a_203496583355_100009889148 [0,0,0,1,0,0|2,0,1]=4 788 B11R2.1 Oc1csc2c1cccc2 271570a_203496583355_100009813928 [0,0,0,1,0,0|1,0,1]=3 789 B11R2.1 Oc1csc2c1cccn2 271570a_203496583355_100009830249 [0,0,0,1,0,0|2,0,1]=4 790 B11R2.1 Oc1csc2c1ccnc2 271570a_203496583355_100009817111 [0,0,0,1,0,0|2,0,1]=4 791 B11R2.1 Oc1csc2c1cncc2 271570a_203496583355_100010247091 [0,0,0,1,0,0|2,0,1]=4 792 B11R2.1 Oc1csc2c1nccc2 271570a_203496583355_100010247092 [0,0,0,1,0,0|2,0,1]=4 793 B11R2.1 Oc1n[nH]c2c1cccc2 271570a_203496583355_100000050141 [0,0,0,1,0,0|2,0,1]=4 794 B11R2.1 Oc1ncn2c1cccc2 271570a_203496583355_100000688344 [0,0,0,1,0,0|2,0,1]=4 795 B9R1.12 O=CCOc1ccsc1 34a_100000106738_200009817547 [0,0,0,0,1,0|2,0,1]=4 796 B9R1.12 O=CCOc1ccsc1 7a_100000106738_200015260668 [0,0,0,0,1,0|2,0,1]=4 797 B9R1.12 O=CCSc1ccco1 62a_100009814098_200015260668 [0,0,0,0,1,0|2,0,1]=4 798 B9R1.12 O=CCSc1ccco1 62a_200015260668_100009814098 [0,0,0,0,1,0|2,0,1]=4 799 B9R1.12 O=CCSc1cccs1 62a_100011215356_200015260668 [0,0,0,0,1,0|2,0,1]=4 800 B9R1.12 O=CCSc1cccs1 62a_200015260668_100011215356 [0,0,0,0,1,0|2,0,1]=4 801 B9R1.12 O=CCSc1ccoc1 62a_100011215275_200015260668 [0,0,0,0,1,0|2,0,1]=4 802 B9R1.12 O=CCSc1ccoc1 62a_200015260668_100011215275 [0,0,0,0,1,0|2,0,1]=4 803 B9R1.12 O=CCSc1ccsc1 62a_100000738268_200015260668 [0,0,0,0,1,0|2,0,1]=4 804 B9R1.12 O=CCSc1ccsc1 62a_200015260668_100000738268 [0,0,0,0,1,0|2,0,1]=4 805 B8R0.1 C=CC=CC(=O)CC=C 1458a_100016291481_100000210623 [1,0,1,0,0,0|1,0,1]=4 806 B8R1.2 C=Cc1ccccc1 271570a_100011290941_100000210277 [2,0,0,0,0,0|0,0,0]=2 807 B8R1.2 C=Cc1ccccn1 271570a_100011290941_100011216584 [2,0,0,0,0,0|1,0,0]=3 808 B8R1.2 C=Cc1cccnc1 271570a_100011290941_100000752921 [2,0,0,0,0,0|1,0,0]=3 809 B8R1.2 C=Cc1cccnn1 271570a_100011290941_100016991348 [2,0,0,0,0,0|2,0,0]=4 810 B8R1.2 C=Cc1ccncc1 271570a_100011290941_100000035832 [2,0,0,0,0,0|1,0,0]=3 811 B8R1.2 C=Cc1ccncn1 271570a_100011290941_100000703185 [2,0,0,0,0,0|2,0,0]=4 812 B8R1.2 C=Cc1ccnnc1 271570a_100011290941_100000732662 [2,0,0,0,0,0|2,0,0]=4 813 B8R1.2 C=Cc1cnccn1 271570a_100011290941_100000758340 [2,0,0,0,0,0|2,0,0]=4 814 B8R1.2 C=Cc1cncnc1 271570a_100011290941_100011206942 [2,0,0,0,0,0|2,0,0]=4 815 B8R1.2 C=Cc1ncccn1 271570a_100011290941_100000211032 [2,0,0,0,0,0|2,0,0]=4 816 B8R1.2 CNc1ccccc1 34a_100000106764_200000210301 [2,0,0,0,0,0|1,0,1]=4 817 B8R1.2 COc1ccccc1 34a_100000210340_200000210301 [2,0,0,0,0,0|1,0,1]=4 818 B8R1.2 COc1ccccc1 7a_100000210340_200000210301 [2,0,0,0,0,0|1,0,1]=4 819 B8R1.2 CSc1ccccc1 62a_100000719477_200000210301 [2,0,0,0,0,0|1,0,1]=4 820 B8R1.2 CSc1ccccc1 62a_200000210301_100000041952 [2,0,0,0,0,0|1,0,1]=4 821 B8R1.2 [13CH3]Nc1ccccc1 34a_100000106764_200025704644 [2,0,0,0,0,0|1,0,1]=4 822 B8R1.2 [13CH3]Oc1ccccc1 34a_100000210340_200025704644 [2,0,0,0,0,0|1,0,1]=4 823 B8R1.2 [13CH3]Oc1ccccc1 7a_100000210340_200025704644 [2,0,0,0,0,0|1,0,1]=4 824 B8R1.2 [13CH3]Sc1ccccc1 62a_100000719477_200025704644 [2,0,0,0,0,0|1,0,1]=4 825 B8R1.2 [13CH3]Sc1ccccc1 62a_200025704644_100000041952 [2,0,0,0,0,0|1,0,1]=4 826 B10R1.1 C/C=C/c1ccc(cc1)O 271570a_203496583355_100016259036 [1,1,0,0,0,0|0,0,1]=3 827 B10R1.1 C=C=Cc1cc[n+](cc1)[O-] 271570a_100015277604_100000039755 [1,1,0,0,0,0|1,0,1]=4 828 B10R1.1 C=C=Cc1ccc(=O)[nH]c1 271570a_100015277604_100000212171 [1,1,0,0,0,0|1,0,1]=4 829 B10R1.1 C=C=Cc1ccc(cc1)Br 271570a_100015277604_100000752885 [1,1,0,0,0,0|0,0,1]=3 830 B10R1.1 C=C=Cc1ccc(cc1)C 271570a_100015277604_100000186775 [1,1,0,0,0,0|0,0,1]=3 831 B10R1.1 C=C=Cc1ccc(cc1)Cl 271570a_100015277604_100000755918 [1,1,0,0,0,0|0,0,1]=3 832 B10R1.1 C=C=Cc1ccc(cc1)F 271570a_100015277604_100000211213 [1,1,0,0,0,0|0,0,1]=3 833 B10R1.1 C=C=Cc1ccc(cc1)N 271570a_100015277604_100000185761 [1,1,0,0,0,0|0,0,1]=3 834 B10R1.1 C=C=Cc1ccc(cc1)O 271570a_100015277604_100000185759 [1,1,0,0,0,0|0,0,1]=3 835 B10R1.1 C=C=Cc1ccc(cn1)Br 271570a_100015277604_100000686858 [1,1,0,0,0,0|1,0,1]=4 836 B10R1.1 C=C=Cc1ccc(cn1)C 271570a_100015277604_100000754016 [1,1,0,0,0,0|1,0,1]=4 837 B10R1.1 C=C=Cc1ccc(cn1)Cl 271570a_100015277604_100011356976 [1,1,0,0,0,0|1,0,1]=4 838 B10R1.1 C=C=Cc1ccc(cn1)F 271570a_100015277604_100000744514 [1,1,0,0,0,0|1,0,1]=4 839 B10R1.1 C=C=Cc1ccc(cn1)N 271570a_100015277604_100000744251 [1,1,0,0,0,0|1,0,1]=4 840 B10R1.1 C=C=Cc1ccc(cn1)O 271570a_100015277604_100000685995 [1,1,0,0,0,0|1,0,1]=4 841 B10R1.1 C=C=Cc1ccc(nc1)Br 271570a_100015277604_100009814638 [1,1,0,0,0,0|1,0,1]=4 842 B10R1.1 C=C=Cc1ccc(nc1)C 271570a_100015277604_100000751577 [1,1,0,0,0,0|1,0,1]=4 843 B10R1.1 C=C=Cc1ccc(nc1)Cl 271570a_100015277604_100000034144 [1,1,0,0,0,0|1,0,1]=4 844 B10R1.1 C=C=Cc1ccc(nc1)F 271570a_100015277604_100000748661 [1,1,0,0,0,0|1,0,1]=4 845 B10R1.1 C=C=Cc1ccc(nc1)N 271570a_100015277604_100000187370 [1,1,0,0,0,0|1,0,1]=4 846 B10R1.1 CC=Cc1cc[n+](cc1)[O-] 271570a_100016259895_100000039755 [1,1,0,0,0,0|1,0,1]=4 847 B10R1.1 CC=Cc1ccc(=O)[nH]c1 271570a_100016259895_100000212171 [1,1,0,0,0,0|1,0,1]=4 848 B10R1.1 CC=Cc1ccc(cc1)Br 271570a_100016259895_100000752885 [1,1,0,0,0,0|0,0,1]=3 849 B10R1.1 CC=Cc1ccc(cc1)C 271570a_100016259895_100000186775 [1,1,0,0,0,0|0,0,1]=3 850 B10R1.1 CC=Cc1ccc(cc1)Cl 271570a_100016259895_100000755918 [1,1,0,0,0,0|0,0,1]=3 851 B10R1.1 CC=Cc1ccc(cc1)F 271570a_100016259895_100000211213 [1,1,0,0,0,0|0,0,1]=3 852 B10R1.1 CC=Cc1ccc(cc1)N 271570a_100016259895_100000185761 [1,1,0,0,0,0|0,0,1]=3 853 B10R1.1 CC=Cc1ccc(cc1)O 271570a_100016259895_100000185759 [1,1,0,0,0,0|0,0,1]=3 854 B10R1.1 CC=Cc1ccc(cn1)Br 271570a_100016259895_100000686858 [1,1,0,0,0,0|1,0,1]=4 855 B10R1.1 CC=Cc1ccc(cn1)C 271570a_100016259895_100000754016 [1,1,0,0,0,0|1,0,1]=4 856 B10R1.1 CC=Cc1ccc(cn1)Cl 271570a_100016259895_100011356976 [1,1,0,0,0,0|1,0,1]=4 857 B10R1.1 CC=Cc1ccc(cn1)F 271570a_100016259895_100000744514 [1,1,0,0,0,0|1,0,1]=4 858 B10R1.1 CC=Cc1ccc(cn1)N 271570a_100016259895_100000744251 [1,1,0,0,0,0|1,0,1]=4 859 B10R1.1 CC=Cc1ccc(cn1)O 271570a_100016259895_100000685995 [1,1,0,0,0,0|1,0,1]=4 860 B10R1.1 CC=Cc1ccc(nc1)Br 271570a_100016259895_100009814638 [1,1,0,0,0,0|1,0,1]=4 861 B10R1.1 CC=Cc1ccc(nc1)C 271570a_100016259895_100000751577 [1,1,0,0,0,0|1,0,1]=4 862 B10R1.1 CC=Cc1ccc(nc1)Cl 271570a_100016259895_100000034144 [1,1,0,0,0,0|1,0,1]=4 863 B10R1.1 CC=Cc1ccc(nc1)F 271570a_100016259895_100000748661 [1,1,0,0,0,0|1,0,1]=4 864 B10R1.1 CC=Cc1ccc(nc1)N 271570a_100016259895_100000187370 [1,1,0,0,0,0|1,0,1]=4 865 B10R1.1 O=CCc1ccc(cc1)O 271570a_203496583355_100011361690 [1,1,0,0,0,0|0,0,1]=3 866 B10R1.1 Oc1ccc(cc1)/C=C/Br 271570a_203496583355_200016255901 [1,1,0,0,0,0|1,0,0]=3 867 B10R1.4 C=C=Cc1c[nH]ccc1=O 271570a_100015277604_100009998708 [1,1,0,0,0,0|1,0,1]=4 868 B10R1.4 C=C=Cc1c[nH]ccc1=S 271570a_100015277604_200012280681 [1,1,0,0,0,0|1,0,1]=4 869 B10R1.4 C=C=Cc1ccc[nH]c1=O 271570a_100015277604_100000050042 [1,1,0,0,0,0|1,0,1]=4 870 B10R1.4 C=C=Cc1cccc[n+]1C 271570a_100015277604_100000212160 [1,1,0,0,0,0|1,0,1]=4 871 B10R1.4 C=C=Cc1cccc[n+]1[O-] 271570a_100015277604_200000042595 [1,1,0,0,0,0|1,0,1]=4 872 B10R1.4 C=C=Cc1ccccc1Br 271570a_100015277604_100000695589 [1,1,0,0,0,0|0,0,1]=3 873 B10R1.4 C=C=Cc1ccccc1C 271570a_100015277604_100000210755 [1,1,0,0,0,0|0,0,1]=3 874 B10R1.4 C=C=Cc1ccccc1Cl 271570a_100015277604_100000764095 [1,1,0,0,0,0|0,0,1]=3 875 B10R1.4 C=C=Cc1ccccc1F 271570a_100015277604_100011215700 [1,1,0,0,0,0|0,0,1]=3 876 B10R1.4 C=C=Cc1ccccc1N 271570a_100015277604_100000210017 [1,1,0,0,0,0|0,0,1]=3 877 B10R1.4 C=C=Cc1ccccc1O 271570a_100015277604_100000739446 [1,1,0,0,0,0|0,0,1]=3 878 B10R1.4 C=C=Cc1cccnc1Br 271570a_100015277604_100010202626 [1,1,0,0,0,0|1,0,1]=4 879 B10R1.4 C=C=Cc1cccnc1C 271570a_100015277604_100000751574 [1,1,0,0,0,0|1,0,1]=4 880 B10R1.4 C=C=Cc1cccnc1Cl 271570a_100015277604_100000036424 [1,1,0,0,0,0|1,0,1]=4 881 B10R1.4 C=C=Cc1cccnc1F 271570a_100015277604_100009816115 [1,1,0,0,0,0|1,0,1]=4 882 B10R1.4 C=C=Cc1cccnc1N 271570a_100015277604_100000045569 [1,1,0,0,0,0|1,0,1]=4 883 B10R1.4 C=C=Cc1ccncc1Br 271570a_100015277604_100000726257 [1,1,0,0,0,0|1,0,1]=4 884 B10R1.4 C=C=Cc1ccncc1C 271570a_100015277604_100015191297 [1,1,0,0,0,0|1,0,1]=4 885 B10R1.4 C=C=Cc1ccncc1Cl 271570a_100015277604_100000708259 [1,1,0,0,0,0|1,0,1]=4 886 B10R1.4 C=C=Cc1ccncc1F 271570a_100015277604_100000047030 [1,1,0,0,0,0|1,0,1]=4 887 B10R1.4 C=C=Cc1ccncc1N 271570a_100015277604_100009815883 [1,1,0,0,0,0|1,0,1]=4 888 B10R1.4 C=C=Cc1ccncc1O 271570a_100015277604_100009817591 [1,1,0,0,0,0|1,0,1]=4 889 B10R1.4 C=C=Cc1cnccc1Br 271570a_100015277604_100010138639 [1,1,0,0,0,0|1,0,1]=4 890 B10R1.4 C=C=Cc1cnccc1C 271570a_100015277604_100000761580 [1,1,0,0,0,0|1,0,1]=4 891 B10R1.4 C=C=Cc1cnccc1Cl 271570a_100015277604_100009995489 [1,1,0,0,0,0|1,0,1]=4 892 B10R1.4 C=C=Cc1cnccc1F 271570a_100015277604_100009820683 [1,1,0,0,0,0|1,0,1]=4 893 B10R1.4 C=C=Cc1cnccc1N 271570a_100015277604_100000047001 [1,1,0,0,0,0|1,0,1]=4 894 B10R1.4 C=C=Cc1ncccc1Br 271570a_100015277604_100000696092 [1,1,0,0,0,0|1,0,1]=4 895 B10R1.4 C=C=Cc1ncccc1C 271570a_100015277604_100000751373 [1,1,0,0,0,0|1,0,1]=4 896 B10R1.4 C=C=Cc1ncccc1Cl 271570a_100015277604_100011356963 [1,1,0,0,0,0|1,0,1]=4 897 B10R1.4 C=C=Cc1ncccc1F 271570a_100015277604_100000685392 [1,1,0,0,0,0|1,0,1]=4 898 B10R1.4 C=C=Cc1ncccc1N 271570a_100015277604_100000688686 [1,1,0,0,0,0|1,0,1]=4 899 B10R1.4 C=C=Cc1ncccc1O 271570a_100015277604_100000034122 [1,1,0,0,0,0|1,0,1]=4 900 B10R1.4 C=CCc1ccccc1O 271570a_203496583355_100009828059 [1,1,0,0,0,0|0,0,1]=3 901 B10R1.4 CC=Cc1c[nH]ccc1=O 271570a_100016259895_100009998708 [1,1,0,0,0,0|1,0,1]=4 902 B10R1.4 CC=Cc1c[nH]ccc1=S 271570a_100016259895_200012280681 [1,1,0,0,0,0|1,0,1]=4 903 B10R1.4 CC=Cc1ccc[nH]c1=O 271570a_100016259895_100000050042 [1,1,0,0,0,0|1,0,1]=4 904 B10R1.4 CC=Cc1cccc[n+]1C 271570a_100016259895_100000212160 [1,1,0,0,0,0|1,0,1]=4 905 B10R1.4 CC=Cc1cccc[n+]1[O-] 271570a_100016259895_200000042595 [1,1,0,0,0,0|1,0,1]=4 906 B10R1.4 CC=Cc1ccccc1Br 271570a_100016259895_100000695589 [1,1,0,0,0,0|0,0,1]=3 907 B10R1.4 CC=Cc1ccccc1C 271570a_100016259895_100000210755 [1,1,0,0,0,0|0,0,1]=3 908 B10R1.4 CC=Cc1ccccc1Cl 271570a_100016259895_100000764095 [1,1,0,0,0,0|0,0,1]=3 909 B10R1.4 CC=Cc1ccccc1F 271570a_100016259895_100011215700 [1,1,0,0,0,0|0,0,1]=3 910 B10R1.4 CC=Cc1ccccc1N 271570a_100016259895_100000210017 [1,1,0,0,0,0|0,0,1]=3 911 B10R1.4 CC=Cc1ccccc1O 271570a_100016259895_100000739446 [1,1,0,0,0,0|0,0,1]=3 912 B10R1.4 CC=Cc1cccnc1Br 271570a_100016259895_100010202626 [1,1,0,0,0,0|1,0,1]=4 913 B10R1.4 CC=Cc1cccnc1C 271570a_100016259895_100000751574 [1,1,0,0,0,0|1,0,1]=4 914 B10R1.4 CC=Cc1cccnc1Cl 271570a_100016259895_100000036424 [1,1,0,0,0,0|1,0,1]=4 915 B10R1.4 CC=Cc1cccnc1F 271570a_100016259895_100009816115 [1,1,0,0,0,0|1,0,1]=4 916 B10R1.4 CC=Cc1cccnc1N 271570a_100016259895_100000045569 [1,1,0,0,0,0|1,0,1]=4 917 B10R1.4 CC=Cc1ccncc1Br 271570a_100016259895_100000726257 [1,1,0,0,0,0|1,0,1]=4 918 B10R1.4 CC=Cc1ccncc1C 271570a_100016259895_100015191297 [1,1,0,0,0,0|1,0,1]=4 919 B10R1.4 CC=Cc1ccncc1Cl 271570a_100016259895_100000708259 [1,1,0,0,0,0|1,0,1]=4 920 B10R1.4 CC=Cc1ccncc1F 271570a_100016259895_100000047030 [1,1,0,0,0,0|1,0,1]=4 921 B10R1.4 CC=Cc1ccncc1N 271570a_100016259895_100009815883 [1,1,0,0,0,0|1,0,1]=4 922 B10R1.4 CC=Cc1ccncc1O 271570a_100016259895_100009817591 [1,1,0,0,0,0|1,0,1]=4 923 B10R1.4 CC=Cc1cnccc1Br 271570a_100016259895_100010138639 [1,1,0,0,0,0|1,0,1]=4 924 B10R1.4 CC=Cc1cnccc1C 271570a_100016259895_100000761580 [1,1,0,0,0,0|1,0,1]=4 925 B10R1.4 CC=Cc1cnccc1Cl 271570a_100016259895_100009995489 [1,1,0,0,0,0|1,0,1]=4 926 B10R1.4 CC=Cc1cnccc1F 271570a_100016259895_100009820683 [1,1,0,0,0,0|1,0,1]=4 927 B10R1.4 CC=Cc1cnccc1N 271570a_100016259895_100000047001 [1,1,0,0,0,0|1,0,1]=4 928 B10R1.4 CC=Cc1ncccc1Br 271570a_100016259895_100000696092 [1,1,0,0,0,0|1,0,1]=4 929 B10R1.4 CC=Cc1ncccc1C 271570a_100016259895_100000751373 [1,1,0,0,0,0|1,0,1]=4 930 B10R1.4 CC=Cc1ncccc1Cl 271570a_100016259895_100011356963 [1,1,0,0,0,0|1,0,1]=4 931 B10R1.4 CC=Cc1ncccc1F 271570a_100016259895_100000685392 [1,1,0,0,0,0|1,0,1]=4 932 B10R1.4 CC=Cc1ncccc1N 271570a_100016259895_100000688686 [1,1,0,0,0,0|1,0,1]=4 933 B10R1.4 CC=Cc1ncccc1O 271570a_100016259895_100000034122 [1,1,0,0,0,0|1,0,1]=4 934 B10R1.10 C=C=Cc1cc(ccn1)C 271570a_100015277604_100000750283 [1,1,0,0,0,0|1,0,1]=4 935 B10R1.10 C=C=Cc1cc(ccn1)Cl 271570a_100015277604_100010167805 [1,1,0,0,0,0|1,0,1]=4 936 B10R1.10 C=C=Cc1cc(ccn1)F 271570a_100015277604_100009817058 [1,1,0,0,0,0|1,0,1]=4 937 B10R1.10 C=C=Cc1cc(ccn1)N 271570a_100015277604_100009814236 [1,1,0,0,0,0|1,0,1]=4 938 B10R1.10 C=C=Cc1cc(ccn1)O 271570a_100015277604_100000762945 [1,1,0,0,0,0|1,0,1]=4 939 B10R1.10 C=C=Cc1cc[nH]c(=O)c1 271570a_100015277604_100009816521 [1,1,0,0,0,0|1,0,1]=4 940 B10R1.10 C=C=Cc1ccc[n+](c1)C 271570a_100015277604_100009996589 [1,1,0,0,0,0|1,0,1]=4 941 B10R1.10 C=C=Cc1ccc[n+](c1)[O-] 271570a_100015277604_100009815978 [1,1,0,0,0,0|1,0,1]=4 942 B10R1.10 C=C=Cc1cccc(=O)[nH]1 271570a_100015277604_100000761760 [1,1,0,0,0,0|1,0,1]=4 943 B10R1.10 C=C=Cc1cccc(c1)Br 271570a_100015277604_100000691529 [1,1,0,0,0,0|0,0,1]=3 944 B10R1.10 C=C=Cc1cccc(c1)C 271570a_100015277604_100011215228 [1,1,0,0,0,0|0,0,1]=3 945 B10R1.10 C=C=Cc1cccc(c1)Cl 271570a_100015277604_100000699651 [1,1,0,0,0,0|0,0,1]=3 946 B10R1.10 C=C=Cc1cccc(c1)F 271570a_100015277604_100000685547 [1,1,0,0,0,0|0,0,1]=3 947 B10R1.10 C=C=Cc1cccc(c1)N 271570a_100015277604_100000210019 [1,1,0,0,0,0|0,0,1]=3 948 B10R1.10 C=C=Cc1cccc(c1)O 271570a_100015277604_100000211634 [1,1,0,0,0,0|0,0,1]=3 949 B10R1.10 C=C=Cc1cccc(c1)[S] 271570a_100015277604_114929384022 [1,1,0,0,0,0|0,0,1]=3 950 B10R1.10 C=C=Cc1cccc(n1)Br 271570a_100015277604_100000684672 [1,1,0,0,0,0|1,0,1]=4 951 B10R1.10 C=C=Cc1cccc(n1)C 271570a_100015277604_100000742759 [1,1,0,0,0,0|1,0,1]=4 952 B10R1.10 C=C=Cc1cccc(n1)F 271570a_100015277604_100009815982 [1,1,0,0,0,0|1,0,1]=4 953 B10R1.10 C=C=Cc1cccc(n1)N 271570a_100015277604_100000740741 [1,1,0,0,0,0|1,0,1]=4 954 B10R1.10 C=C=Cc1ccnc(c1)Br 271570a_100015277604_100009814637 [1,1,0,0,0,0|1,0,1]=4 955 B10R1.10 C=C=Cc1ccnc(c1)C 271570a_100015277604_100000758586 [1,1,0,0,0,0|1,0,1]=4 956 B10R1.10 C=C=Cc1ccnc(c1)Cl 271570a_100015277604_100000035001 [1,1,0,0,0,0|1,0,1]=4 957 B10R1.10 C=C=Cc1ccnc(c1)F 271570a_100015277604_100009816116 [1,1,0,0,0,0|1,0,1]=4 958 B10R1.10 C=C=Cc1ccnc(c1)N 271570a_100015277604_100000744379 [1,1,0,0,0,0|1,0,1]=4 959 B10R1.10 C=C=Cc1cncc(c1)Br 271570a_100015277604_100000728054 [1,1,0,0,0,0|1,0,1]=4 960 B10R1.10 C=C=Cc1cncc(c1)C 271570a_100015277604_100000760492 [1,1,0,0,0,0|1,0,1]=4 961 B10R1.10 C=C=Cc1cncc(c1)Cl 271570a_100015277604_100000049639 [1,1,0,0,0,0|1,0,1]=4 962 B10R1.10 C=C=Cc1cncc(c1)F 271570a_100015277604_100000744099 [1,1,0,0,0,0|1,0,1]=4 963 B10R1.10 C=C=Cc1cncc(c1)N 271570a_100015277604_100000687067 [1,1,0,0,0,0|1,0,1]=4 964 B10R1.10 C=C=Cc1cncc(c1)O 271570a_100015277604_100000754920 [1,1,0,0,0,0|1,0,1]=4 965 B10R1.10 C=CCc1cccc(c1)O 271570a_203496583355_100009816576 [1,1,0,0,0,0|0,0,1]=3 966 B10R1.10 CC=Cc1cc(ccn1)C 271570a_100016259895_100000750283 [1,1,0,0,0,0|1,0,1]=4 967 B10R1.10 CC=Cc1cc(ccn1)Cl 271570a_100016259895_100010167805 [1,1,0,0,0,0|1,0,1]=4 968 B10R1.10 CC=Cc1cc(ccn1)F 271570a_100016259895_100009817058 [1,1,0,0,0,0|1,0,1]=4 969 B10R1.10 CC=Cc1cc(ccn1)N 271570a_100016259895_100009814236 [1,1,0,0,0,0|1,0,1]=4 970 B10R1.10 CC=Cc1cc(ccn1)O 271570a_100016259895_100000762945 [1,1,0,0,0,0|1,0,1]=4 971 B10R1.10 CC=Cc1cc[nH]c(=O)c1 271570a_100016259895_100009816521 [1,1,0,0,0,0|1,0,1]=4 972 B10R1.10 CC=Cc1ccc[n+](c1)C 271570a_100016259895_100009996589 [1,1,0,0,0,0|1,0,1]=4 973 B10R1.10 CC=Cc1ccc[n+](c1)[O-] 271570a_100016259895_100009815978 [1,1,0,0,0,0|1,0,1]=4 974 B10R1.10 CC=Cc1cccc(=O)[nH]1 271570a_100016259895_100000761760 [1,1,0,0,0,0|1,0,1]=4 975 B10R1.10 CC=Cc1cccc(c1)Br 271570a_100016259895_100000691529 [1,1,0,0,0,0|0,0,1]=3 976 B10R1.10 CC=Cc1cccc(c1)C 271570a_100016259895_100011215228 [1,1,0,0,0,0|0,0,1]=3 977 B10R1.10 CC=Cc1cccc(c1)Cl 271570a_100016259895_100000699651 [1,1,0,0,0,0|0,0,1]=3 978 B10R1.10 CC=Cc1cccc(c1)F 271570a_100016259895_100000685547 [1,1,0,0,0,0|0,0,1]=3 979 B10R1.10 CC=Cc1cccc(c1)N 271570a_100016259895_100000210019 [1,1,0,0,0,0|0,0,1]=3 980 B10R1.10 CC=Cc1cccc(c1)O 271570a_100016259895_100000211634 [1,1,0,0,0,0|0,0,1]=3 981 B10R1.10 CC=Cc1cccc(c1)[S] 271570a_100016259895_114929384022 [1,1,0,0,0,0|0,0,1]=3 982 B10R1.10 CC=Cc1cccc(n1)Br 271570a_100016259895_100000684672 [1,1,0,0,0,0|1,0,1]=4 983 B10R1.10 CC=Cc1cccc(n1)C 271570a_100016259895_100000742759 [1,1,0,0,0,0|1,0,1]=4 984 B10R1.10 CC=Cc1cccc(n1)F 271570a_100016259895_100009815982 [1,1,0,0,0,0|1,0,1]=4 985 B10R1.10 CC=Cc1cccc(n1)N 271570a_100016259895_100000740741 [1,1,0,0,0,0|1,0,1]=4 986 B10R1.10 CC=Cc1ccnc(c1)Br 271570a_100016259895_100009814637 [1,1,0,0,0,0|1,0,1]=4 987 B10R1.10 CC=Cc1ccnc(c1)C 271570a_100016259895_100000758586 [1,1,0,0,0,0|1,0,1]=4 988 B10R1.10 CC=Cc1ccnc(c1)Cl 271570a_100016259895_100000035001 [1,1,0,0,0,0|1,0,1]=4 989 B10R1.10 CC=Cc1ccnc(c1)F 271570a_100016259895_100009816116 [1,1,0,0,0,0|1,0,1]=4 990 B10R1.10 CC=Cc1ccnc(c1)N 271570a_100016259895_100000744379 [1,1,0,0,0,0|1,0,1]=4 991 B10R1.10 CC=Cc1cncc(c1)Br 271570a_100016259895_100000728054 [1,1,0,0,0,0|1,0,1]=4 992 B10R1.10 CC=Cc1cncc(c1)C 271570a_100016259895_100000760492 [1,1,0,0,0,0|1,0,1]=4 993 B10R1.10 CC=Cc1cncc(c1)Cl 271570a_100016259895_100000049639 [1,1,0,0,0,0|1,0,1]=4 994 B10R1.10 CC=Cc1cncc(c1)F 271570a_100016259895_100000744099 [1,1,0,0,0,0|1,0,1]=4 995 B10R1.10 CC=Cc1cncc(c1)N 271570a_100016259895_100000687067 [1,1,0,0,0,0|1,0,1]=4 996 B10R1.10 CC=Cc1cncc(c1)O 271570a_100016259895_100000754920 [1,1,0,0,0,0|1,0,1]=4 997 B10R1.10 O=CCc1cccc(c1)O 271570a_203496583355_200000698211 [1,1,0,0,0,0|0,0,1]=3 998 B10R1.15 CCC(=O)c1ccccc1 1458a_100000185807_100000210202 [1,1,0,0,0,0|0,0,2]=4 999 B10R1.15 CNC(=O)c1ccccc1 11a_106832991635_100000185807 [1,1,0,0,0,0|1,0,1]=4 1000 B10R1.15 CNC(=O)c1ccccc1 1626a_100102657272_100000185807 [1,1,0,0,0,0|1,0,1]=4 1001 B10R1.15 CNC(=O)c1ccccc1 240690a_100102657272_100000185807 [1,1,0,0,0,0|1,0,1]=4 1002 B10R1.15 CNC(=O)c1ccccc1 527a_100102657272_100000185807 [1,1,0,0,0,0|1,0,1]=4 1003 B10R1.15 O=C(CF)c1ccccc1 1458a_100000185807_100015361967 [1,1,0,0,0,0|1,0,1]=4 1004 B10R1.18 CC(=Cc1ccccc1)C 271570a_100102525489_100000210277 [1,1,0,0,0,0|0,0,1]=3 1005 B10R1.18 CC(=Cc1ccccn1)C 271570a_100102525489_100011216584 [1,1,0,0,0,0|1,0,1]=4 1006 B10R1.18 CC(=Cc1cccnc1)C 271570a_100102525489_100000752921 [1,1,0,0,0,0|1,0,1]=4 1007 B10R1.18 CC(=Cc1ccncc1)C 271570a_100102525489_100000035832 [1,1,0,0,0,0|1,0,1]=4 1008 B10R1.18 CC(=O)C[n+]1ccccc1 1458a_200000086051_200000210301 [1,1,0,0,0,0|1,0,1]=4 1009 B10R1.18 CC(=O)Cc1ccccc1 1458a_100000070787_100015291786 [1,1,0,0,0,0|0,0,1]=3 1010 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000070787_100000721315 [1,1,0,0,0,0|1,0,1]=4 1011 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000233486_200000210301 [1,1,0,0,0,0|1,0,1]=4 1012 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000070787_100000733263 [1,1,0,0,0,0|1,0,1]=4 1013 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000737805_200000210301 [1,1,0,0,0,0|1,0,1]=4 1014 B10R1.18 CC(=O)Cc1ccncc1 1458a_100000070787_100000705612 [1,1,0,0,0,0|1,0,1]=4 1015 B10R1.18 CC(=O)Nc1ccccc1 11a_100000106764_100015343762 [1,1,0,0,0,0|1,0,0]=3 1016 B10R1.18 CC(=O)Nc1ccccc1 1626a_100000106764_100015343762 [1,1,0,0,0,0|1,0,0]=3 1017 B10R1.18 CC(=O)Nc1ccccc1 22a_100000106764_100000070787 [1,1,0,0,0,0|1,0,0]=3 1018 B10R1.18 CC(=O)Nc1ccccc1 527a_100000106764_100103153847 [1,1,0,0,0,0|1,0,0]=3 1019 B10R1.18 [13CH3]C(=O)C[n+]1ccccc1 1458a_200000086051_200025704644 [1,1,0,0,0,0|1,0,1]=4 1020 B10R1.18 [13CH3]C(=O)Cc1ccccn1 1458a_100000233486_200025704644 [1,1,0,0,0,0|1,0,1]=4 1021 B10R1.18 [13CH3]C(=O)Cc1cccnc1 1458a_100000737805_200025704644 [1,1,0,0,0,0|1,0,1]=4 1022 B10R1.66 CC(=O)C=Cc1c[nH]cn1 1458a_100102678534_200000210301 [0,1,0,0,1,0|2,0,0]=4 1023 B10R1.66 CC(=O)C=Cc1cccs1 1458a_100000182767_200000210301 [0,1,0,0,1,0|1,0,0]=3 1024 B10R1.66 CC(=O)C=Cc1ccoc1 1458a_100000238621_200000210301 [0,1,0,0,1,0|1,0,0]=3 1025 B10R1.66 CC(=O)C=Cc1ccsc1 1458a_100000698588_200000210301 [0,1,0,0,1,0|1,0,0]=3 1026 B10R1.66 CC(=O)C=Cc1cscn1 1458a_200000747928_200000210301 [0,1,0,0,1,0|2,0,0]=4 1027 B10R1.66 CC(=O)C=Cc1nccs1 1458a_100102558208_200000210301 [0,1,0,0,1,0|2,0,0]=4 1028 B10R1.66 [13CH3]C(=O)C=Cc1c[nH]cn1 1458a_100102678534_200025704644 [0,1,0,0,1,0|2,0,0]=4 1029 B10R1.66 [13CH3]C(=O)C=Cc1cccs1 1458a_100000182767_200025704644 [0,1,0,0,1,0|1,0,0]=3 1030 B10R1.66 [13CH3]C(=O)C=Cc1ccoc1 1458a_100000238621_200025704644 [0,1,0,0,1,0|1,0,0]=3 1031 B10R1.66 [13CH3]C(=O)C=Cc1ccsc1 1458a_100000698588_200025704644 [0,1,0,0,1,0|1,0,0]=3 1032 B10R1.66 [13CH3]C(=O)C=Cc1cscn1 1458a_200000747928_200025704644 [0,1,0,0,1,0|2,0,0]=4 1033 B10R1.66 [13CH3]C(=O)C=Cc1nccs1 1458a_100102558208_200025704644 [0,1,0,0,1,0|2,0,0]=4 1034 B12R1.18 O=CCOc1cccccc1=O 34a_100000036025_200009817547 [0,1,0,0,0,1|1,0,1]=4 1035 B12R1.18 O=CCOc1cccccc1=O 7a_100000036025_200015260668 [0,1,0,0,0,1|1,0,1]=4 1036 B12R1.1 C/C=C/CNc1ccc(cc1)Br 34a_100000210018_100102629194 [0,2,0,0,0,0|1,0,1]=4 1037 B12R1.1 C/C=C/CNc1ccc(cc1)C 34a_100000124888_100102629194 [0,2,0,0,0,0|1,0,1]=4 1038 B12R1.1 C/C=C/CNc1ccc(cc1)Cl 34a_100000210052_100102629194 [0,2,0,0,0,0|1,0,1]=4 1039 B12R1.1 C/C=C/CNc1ccc(cc1)F 34a_100000185862_100102629194 [0,2,0,0,0,0|1,0,1]=4 1040 B12R1.1 C/C=C/CNc1ccc(cc1)I 34a_100000185761_100102629194 [0,2,0,0,0,0|1,0,1]=4 1041 B12R1.1 C/C=C/CNc1ccc(cc1)O 34a_100000185829_100102629194 [0,2,0,0,0,0|1,0,1]=4 1042 B12R1.1 C/C=C/COc1ccc(cc1)Br 34a_100000185759_100102629194 [0,2,0,0,0,0|1,0,1]=4 1043 B12R1.1 C/C=C/COc1ccc(cc1)Br 7a_100000185759_100102629194 [0,2,0,0,0,0|1,0,1]=4 1044 B12R1.1 C/C=C/COc1ccc(cc1)C 34a_100000210336_100102629194 [0,2,0,0,0,0|1,0,1]=4 1045 B12R1.1 C/C=C/COc1ccc(cc1)C 7a_100000210336_100102629194 [0,2,0,0,0,0|1,0,1]=4 1046 B12R1.1 C/C=C/COc1ccc(cc1)Cl 34a_100000210216_100102629194 [0,2,0,0,0,0|1,0,1]=4 1047 B12R1.1 C/C=C/COc1ccc(cc1)Cl 7a_100000210216_100102629194 [0,2,0,0,0,0|1,0,1]=4 1048 B12R1.1 C/C=C/COc1ccc(cc1)F 34a_100000210339_100102629194 [0,2,0,0,0,0|1,0,1]=4 1049 B12R1.1 C/C=C/COc1ccc(cc1)I 34a_100000212066_100102629194 [0,2,0,0,0,0|1,0,1]=4 1050 B12R1.1 C/C=C/COc1ccc(cc1)I 7a_100000212066_100102629194 [0,2,0,0,0,0|1,0,1]=4 1051 B12R1.1 C/C=C/COc1ccc(cc1)N 34a_100000185829_100102629194 [0,2,0,0,0,0|1,0,1]=4 1052 B12R1.1 C/C=C/CSc1ccc(cc1)Br 62a_100000752885_100102629194 [0,2,0,0,0,0|1,0,1]=4 1053 B12R1.1 C/C=C/CSc1ccc(cc1)Br 62a_100102629194_100000752885 [0,2,0,0,0,0|1,0,1]=4 1054 B12R1.1 C/C=C/CSc1ccc(cc1)C 62a_100000186775_100102629194 [0,2,0,0,0,0|1,0,1]=4 1055 B12R1.1 C/C=C/CSc1ccc(cc1)C 62a_100102629194_100000186775 [0,2,0,0,0,0|1,0,1]=4 1056 B12R1.1 C/C=C/CSc1ccc(cc1)Cl 62a_100000755918_100102629194 [0,2,0,0,0,0|1,0,1]=4 1057 B12R1.1 C/C=C/CSc1ccc(cc1)Cl 62a_100102629194_100000755918 [0,2,0,0,0,0|1,0,1]=4 1058 B12R1.1 C/C=C/CSc1ccc(cc1)F 62a_100000211213_100102629194 [0,2,0,0,0,0|1,0,1]=4 1059 B12R1.1 C/C=C/CSc1ccc(cc1)F 62a_100102629194_100000211213 [0,2,0,0,0,0|1,0,1]=4 1060 B12R1.1 C/C=C/CSc1ccc(cc1)N 62a_100000185761_100102629194 [0,2,0,0,0,0|1,0,1]=4 1061 B12R1.1 C/C=C/CSc1ccc(cc1)N 62a_100102629194_100000185761 [0,2,0,0,0,0|1,0,1]=4 1062 B12R1.1 C/C=C/CSc1ccc(cc1)O 62a_100102629194_100000185759 [0,2,0,0,0,0|1,0,1]=4 1063 B12R1.1 CC=CCNc1ccc(cc1)Br 2230a_100000210018_100000070051 [0,2,0,0,0,0|1,0,1]=4 1064 B12R1.1 CC=CCNc1ccc(cc1)Br 34a_100000210018_100000070051 [0,2,0,0,0,0|1,0,1]=4 1065 B12R1.1 CC=CCNc1ccc(cc1)C 34a_100000124888_100000070051 [0,2,0,0,0,0|1,0,1]=4 1066 B12R1.1 CC=CCNc1ccc(cc1)Cl 2230a_100000210052_100000070051 [0,2,0,0,0,0|1,0,1]=4 1067 B12R1.1 CC=CCNc1ccc(cc1)Cl 34a_100000210052_100000070051 [0,2,0,0,0,0|1,0,1]=4 1068 B12R1.1 CC=CCNc1ccc(cc1)F 34a_100000185862_100000070051 [0,2,0,0,0,0|1,0,1]=4 1069 B12R1.1 CC=CCNc1ccc(cc1)I 34a_100000185761_100000070051 [0,2,0,0,0,0|1,0,1]=4 1070 B12R1.1 CC=CCNc1ccc(cc1)O 34a_100000185829_100000070051 [0,2,0,0,0,0|1,0,1]=4 1071 B12R1.1 CC=CCOc1ccc(cc1)Br 34a_100000185759_100000070051 [0,2,0,0,0,0|1,0,1]=4 1072 B12R1.1 CC=CCOc1ccc(cc1)Br 7a_100000185759_100000070051 [0,2,0,0,0,0|1,0,1]=4 1073 B12R1.1 CC=CCOc1ccc(cc1)C 34a_100000210336_100000070051 [0,2,0,0,0,0|1,0,1]=4 1074 B12R1.1 CC=CCOc1ccc(cc1)C 7a_100000210336_100000070051 [0,2,0,0,0,0|1,0,1]=4 1075 B12R1.1 CC=CCOc1ccc(cc1)Cl 34a_100000210216_100000070051 [0,2,0,0,0,0|1,0,1]=4 1076 B12R1.1 CC=CCOc1ccc(cc1)Cl 7a_100000210216_100000070051 [0,2,0,0,0,0|1,0,1]=4 1077 B12R1.1 CC=CCOc1ccc(cc1)F 34a_100000210339_100000070051 [0,2,0,0,0,0|1,0,1]=4 1078 B12R1.1 CC=CCOc1ccc(cc1)I 34a_100000212066_100000070051 [0,2,0,0,0,0|1,0,1]=4 1079 B12R1.1 CC=CCOc1ccc(cc1)I 7a_100000212066_100000070051 [0,2,0,0,0,0|1,0,1]=4 1080 B12R1.1 CC=CCOc1ccc(cc1)N 34a_100000185829_100000070051 [0,2,0,0,0,0|1,0,1]=4 1081 B12R1.1 CC=CCSc1ccc(cc1)Br 62a_100000070051_100000752885 [0,2,0,0,0,0|1,0,1]=4 1082 B12R1.1 CC=CCSc1ccc(cc1)Br 62a_100000752885_100000070051 [0,2,0,0,0,0|1,0,1]=4 1083 B12R1.1 CC=CCSc1ccc(cc1)C 62a_100000070051_100000186775 [0,2,0,0,0,0|1,0,1]=4 1084 B12R1.1 CC=CCSc1ccc(cc1)C 62a_100000186775_100000070051 [0,2,0,0,0,0|1,0,1]=4 1085 B12R1.1 CC=CCSc1ccc(cc1)Cl 62a_100000070051_100000755918 [0,2,0,0,0,0|1,0,1]=4 1086 B12R1.1 CC=CCSc1ccc(cc1)Cl 62a_100000755918_100000070051 [0,2,0,0,0,0|1,0,1]=4 1087 B12R1.1 CC=CCSc1ccc(cc1)F 62a_100000070051_100000211213 [0,2,0,0,0,0|1,0,1]=4 1088 B12R1.1 CC=CCSc1ccc(cc1)F 62a_100000211213_100000070051 [0,2,0,0,0,0|1,0,1]=4 1089 B12R1.1 CC=CCSc1ccc(cc1)N 62a_100000070051_100000185761 [0,2,0,0,0,0|1,0,1]=4 1090 B12R1.1 CC=CCSc1ccc(cc1)N 62a_100000185761_100000070051 [0,2,0,0,0,0|1,0,1]=4 1091 B12R1.1 CC=CCSc1ccc(cc1)O 62a_100000070051_100000185759 [0,2,0,0,0,0|1,0,1]=4 1092 B12R1.1 CCCC=Cc1ccc(cc1)Br 271570a_100016258520_100000752885 [0,2,0,0,0,0|1,0,1]=4 1093 B12R1.1 CCCC=Cc1ccc(cc1)C 271570a_100016258520_100000186775 [0,2,0,0,0,0|1,0,1]=4 1094 B12R1.1 CCCC=Cc1ccc(cc1)Cl 271570a_100016258520_100000755918 [0,2,0,0,0,0|1,0,1]=4 1095 B12R1.1 CCCC=Cc1ccc(cc1)F 271570a_100016258520_100000211213 [0,2,0,0,0,0|1,0,1]=4 1096 B12R1.1 CCCC=Cc1ccc(cc1)N 271570a_100016258520_100000185761 [0,2,0,0,0,0|1,0,1]=4 1097 B12R1.1 CCCC=Cc1ccc(cc1)O 271570a_100016258520_100000185759 [0,2,0,0,0,0|1,0,1]=4 1098 B12R1.1 CCOC=Cc1ccc(cc1)Br 271570a_100016256518_100000752885 [0,2,0,0,0,0|1,0,1]=4 1099 B12R1.1 CCOC=Cc1ccc(cc1)C 271570a_100016256518_100000186775 [0,2,0,0,0,0|1,0,1]=4 1100 B12R1.1 CCOC=Cc1ccc(cc1)Cl 271570a_100016256518_100000755918 [0,2,0,0,0,0|1,0,1]=4 1101 B12R1.1 CCOC=Cc1ccc(cc1)F 271570a_100016256518_100000211213 [0,2,0,0,0,0|1,0,1]=4 1102 B12R1.1 CCOC=Cc1ccc(cc1)N 271570a_100016256518_100000185761 [0,2,0,0,0,0|1,0,1]=4 1103 B12R1.1 CCOC=Cc1ccc(cc1)O 271570a_100016256518_100000185759 [0,2,0,0,0,0|1,0,1]=4 1104 B12R1.1 CNCC=Cc1ccc(cc1)Br 270004a_106832991635_100016291818 [0,2,0,0,0,0|1,0,1]=4 1105 B12R1.1 CNCC=Cc1ccc(cc1)C 270004a_106832991635_100016257026 [0,2,0,0,0,0|1,0,1]=4 1106 B12R1.1 CNCC=Cc1ccc(cc1)Cl 270004a_106832991635_100102525842 [0,2,0,0,0,0|1,0,1]=4 1107 B12R1.1 CNCC=Cc1ccc(cc1)F 270004a_106832991635_100016272083 [0,2,0,0,0,0|1,0,1]=4 1108 B12R1.1 COCC=Cc1ccc(cc1)Br 271570a_100016286323_100000752885 [0,2,0,0,0,0|0,0,2]=4 1109 B12R1.1 COCC=Cc1ccc(cc1)C 271570a_100016286323_100000186775 [0,2,0,0,0,0|0,0,2]=4 1110 B12R1.1 COCC=Cc1ccc(cc1)Cl 271570a_100016286323_100000755918 [0,2,0,0,0,0|0,0,2]=4 1111 B12R1.1 COCC=Cc1ccc(cc1)F 271570a_100016286323_100000211213 [0,2,0,0,0,0|0,0,2]=4 1112 B12R1.1 COCC=Cc1ccc(cc1)N 271570a_100016286323_100000185761 [0,2,0,0,0,0|0,0,2]=4 1113 B12R1.1 COCC=Cc1ccc(cc1)O 271570a_100016286323_100000185759 [0,2,0,0,0,0|0,0,2]=4 1114 B12R1.1 Cc1ccc(cc1)CNCC=O 2230a_100000174908_200015260668 [0,2,0,0,0,0|0,0,2]=4 1115 B12R1.1 Cc1ccc(cc1)CNCC=O 34a_100000174908_200009817547 [0,2,0,0,0,0|0,0,2]=4 1116 B12R1.1 Cc1ccc(cc1)COCC=O 34a_100011215236_200009817547 [0,2,0,0,0,0|0,0,2]=4 1117 B12R1.1 Cc1ccc(cc1)COCC=O 7a_100011215236_200015260668 [0,2,0,0,0,0|0,0,2]=4 1118 B12R1.1 Cc1ccc(cc1)CSCC=O 62a_100000210814_200015260668 [0,2,0,0,0,0|0,0,2]=4 1119 B12R1.1 Cc1ccc(cc1)CSCC=O 62a_200015260668_100000210814 [0,2,0,0,0,0|0,0,2]=4 1120 B12R1.1 Nc1ccc(cc1)COCC=O 34a_100011215238_200009817547 [0,2,0,0,0,0|0,0,2]=4 1121 B12R1.1 O=CCNCc1ccc(cc1)Br 2230a_100000174875_200015260668 [0,2,0,0,0,0|0,0,2]=4 1122 B12R1.1 O=CCNCc1ccc(cc1)Br 34a_100000174875_200009817547 [0,2,0,0,0,0|0,0,2]=4 1123 B12R1.1 O=CCNCc1ccc(cc1)Cl 2230a_100000174871_200015260668 [0,2,0,0,0,0|0,0,2]=4 1124 B12R1.1 O=CCNCc1ccc(cc1)Cl 34a_100000174871_200009817547 [0,2,0,0,0,0|0,0,2]=4 1125 B12R1.1 O=CCNCc1ccc(cc1)F 2230a_100000174882_200015260668 [0,2,0,0,0,0|0,0,2]=4 1126 B12R1.1 O=CCNCc1ccc(cc1)F 34a_100000174882_200009817547 [0,2,0,0,0,0|0,0,2]=4 1127 B12R1.1 O=CCNCc1ccc(cc1)I 2230a_100016989417_200015260668 [0,2,0,0,0,0|0,0,2]=4 1128 B12R1.1 O=CCNCc1ccc(cc1)I 34a_100016989417_200009817547 [0,2,0,0,0,0|0,0,2]=4 1129 B12R1.1 O=CCNCc1ccc(cc1)O 34a_100000185549_200009817547 [0,2,0,0,0,0|0,0,2]=4 1130 B12R1.1 O=CCOCc1ccc(cc1)Br 34a_100000695286_200009817547 [0,2,0,0,0,0|0,0,2]=4 1131 B12R1.1 O=CCOCc1ccc(cc1)Cl 34a_100000211118_200009817547 [0,2,0,0,0,0|0,0,2]=4 1132 B12R1.1 O=CCOCc1ccc(cc1)Cl 7a_100000211118_200015260668 [0,2,0,0,0,0|0,0,2]=4 1133 B12R1.1 O=CCOCc1ccc(cc1)F 34a_100000210977_200009817547 [0,2,0,0,0,0|0,0,2]=4 1134 B12R1.1 O=CCOCc1ccc(cc1)F 7a_100000210977_200015260668 [0,2,0,0,0,0|0,0,2]=4 1135 B12R1.1 O=CCOCc1ccc(cc1)I 34a_100000690907_200009817547 [0,2,0,0,0,0|0,0,2]=4 1136 B12R1.1 O=CCOCc1ccc(cc1)I 7a_100000690907_200015260668 [0,2,0,0,0,0|0,0,2]=4 1137 B12R1.1 O=CCSCc1ccc(cc1)Br 62a_100000189115_200015260668 [0,2,0,0,0,0|0,0,2]=4 1138 B12R1.1 O=CCSCc1ccc(cc1)Br 62a_200015260668_100000189115 [0,2,0,0,0,0|0,0,2]=4 1139 B12R1.1 O=CCSCc1ccc(cc1)Cl 62a_100000187161_200015260668 [0,2,0,0,0,0|0,0,2]=4 1140 B12R1.1 O=CCSCc1ccc(cc1)Cl 62a_200015260668_100000187161 [0,2,0,0,0,0|0,0,2]=4 1141 B12R1.1 O=CCSCc1ccc(cc1)F 62a_100000198546_200015260668 [0,2,0,0,0,0|0,0,2]=4 1142 B12R1.1 O=CCSCc1ccc(cc1)F 62a_200015260668_100000187164 [0,2,0,0,0,0|0,0,2]=4 1143 B12R1.1 O=CCSCc1ccc(cc1)I 62a_100000189116_200015260668 [0,2,0,0,0,0|0,0,2]=4 1144 B12R1.1 O=CCSCc1ccc(cc1)I 62a_200015260668_100000189116 [0,2,0,0,0,0|0,0,2]=4 1145 B12R1.1 O=CNCCc1ccc(cc1)O 271570a_203496583355_200012351260 [0,2,0,0,0,0|0,0,2]=4 1146 B12R1.16 C=CCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000210623 [0,2,0,0,0,0|1,0,1]=4 1147 B12R1.16 C=CCC(=O)c1ccc(cc1)C 1458a_100000188618_100000210623 [0,2,0,0,0,0|1,0,1]=4 1148 B12R1.16 C=CCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000210623 [0,2,0,0,0,0|1,0,1]=4 1149 B12R1.16 C=CCC(=O)c1ccc(cc1)F 1458a_100000187176_100000210623 [0,2,0,0,0,0|1,0,1]=4 1150 B12R1.16 C=CCC(=O)c1ccc(cc1)I 1458a_100000187904_100000210623 [0,2,0,0,0,0|1,0,1]=4 1151 B12R1.16 C=CCC(=O)c1ccc(cc1)O 1458a_100000212099_100000210623 [0,2,0,0,0,0|1,0,1]=4 1152 B12R1.16 CN(CC=O)c1ccc(cc1)Br 2230a_100000219623_200015260668 [0,2,0,0,0,0|1,0,1]=4 1153 B12R1.16 CN(CC=O)c1ccc(cc1)Br 269982a_100000219623_200015260668 [0,2,0,0,0,0|1,0,1]=4 1154 B12R1.16 CN(CC=O)c1ccc(cc1)Br 34a_100000219623_200009817547 [0,2,0,0,0,0|1,0,1]=4 1155 B12R1.16 CN(CC=O)c1ccc(cc1)Cl 2230a_100020629279_200015260668 [0,2,0,0,0,0|1,0,1]=4 1156 B12R1.16 CN(CC=O)c1ccc(cc1)Cl 269982a_100020629279_200015260668 [0,2,0,0,0,0|1,0,1]=4 1157 B12R1.16 CN(CC=O)c1ccc(cc1)Cl 34a_100020629279_200009817547 [0,2,0,0,0,0|1,0,1]=4 1158 B12R1.16 CN(CC=O)c1ccc(cc1)F 2230a_100000219829_200015260668 [0,2,0,0,0,0|1,0,1]=4 1159 B12R1.16 CN(CC=O)c1ccc(cc1)F 269982a_100000219829_200015260668 [0,2,0,0,0,0|1,0,1]=4 1160 B12R1.16 CN(CC=O)c1ccc(cc1)F 34a_100000219829_200009817547 [0,2,0,0,0,0|1,0,1]=4 1161 B12R1.16 CN(CC=O)c1ccc(cc1)I 2230a_100000743151_200015260668 [0,2,0,0,0,0|1,0,1]=4 1162 B12R1.16 CN(CC=O)c1ccc(cc1)I 269982a_100000743151_200015260668 [0,2,0,0,0,0|1,0,1]=4 1163 B12R1.16 CN(CC=O)c1ccc(cc1)I 34a_100000743151_200009817547 [0,2,0,0,0,0|1,0,1]=4 1164 B12R1.16 CN(CC=O)c1ccc(cc1)O 269982a_100000182112_200015260668 [0,2,0,0,0,0|1,0,1]=4 1165 B12R1.16 CN(CC=O)c1ccc(cc1)O 34a_100000182112_200009817547 [0,2,0,0,0,0|1,0,1]=4 1166 B12R1.16 Cc1ccc(cc1)N(C)CC=O 2230a_100000219977_200015260668 [0,2,0,0,0,0|1,0,1]=4 1167 B12R1.16 Cc1ccc(cc1)N(C)CC=O 269982a_100000219977_200015260668 [0,2,0,0,0,0|1,0,1]=4 1168 B12R1.16 Cc1ccc(cc1)N(C)CC=O 34a_100000219977_200009817547 [0,2,0,0,0,0|1,0,1]=4 1169 B12R1.21 CC(=O)/C=C/c1ccc(cc1)O 271570a_203496583355_200016259395 [0,2,0,0,0,0|0,0,0]=2 1170 B12R1.21 CC(=O)C#Cc1ccc(cc1)Br 1458a_100012100275_200000210301 [0,2,0,0,0,0|0,0,2]=4 1171 B12R1.21 CC(=O)C#Cc1ccc(cc1)Cl 1458a_100011892723_200000210301 [0,2,0,0,0,0|0,0,2]=4 1172 B12R1.21 CC(=O)C#Cc1ccc(cc1)F 1458a_100000238512_200000210301 [0,2,0,0,0,0|0,0,2]=4 1173 B12R1.21 CC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_200000210301 [0,2,0,0,0,0|0,0,0]=2 1174 B12R1.21 CC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_200000210301 [0,2,0,0,0,0|0,0,0]=2 1175 B12R1.21 CC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_200000210301 [0,2,0,0,0,0|0,0,0]=2 1176 B12R1.21 CC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_200000210301 [0,2,0,0,0,0|0,0,0]=2 1177 B12R1.21 CC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_200000210301 [0,2,0,0,0,0|0,0,0]=2 1178 B12R1.21 CC(=O)C=Cc1ccc(cn1)F 1458a_100020630499_200000210301 [0,2,0,0,0,0|1,0,0]=3 1179 B12R1.21 CC(=O)C=Cc1ccc(nc1)Br 1458a_100020588214_200000210301 [0,2,0,0,0,0|1,0,0]=3 1180 B12R1.21 CC(=O)CCc1ccc(cc1)Br 1458a_100000070787_100011740612 [0,2,0,0,0,0|0,0,2]=4 1181 B12R1.21 CC(=O)CCc1ccc(cc1)Br 1458a_100000217147_200000210301 [0,2,0,0,0,0|0,0,2]=4 1182 B12R1.21 CC(=O)CCc1ccc(cc1)C 1458a_100000070787_100011713686 [0,2,0,0,0,0|0,0,2]=4 1183 B12R1.21 CC(=O)CCc1ccc(cc1)C 1458a_100000234883_200000210301 [0,2,0,0,0,0|0,0,2]=4 1184 B12R1.21 CC(=O)CCc1ccc(cc1)Cl 1458a_100000070787_100011713675 [0,2,0,0,0,0|0,0,2]=4 1185 B12R1.21 CC(=O)CCc1ccc(cc1)Cl 1458a_100000235379_200000210301 [0,2,0,0,0,0|0,0,2]=4 1186 B12R1.21 CC(=O)CCc1ccc(cc1)F 1458a_100000070787_100011217392 [0,2,0,0,0,0|0,0,2]=4 1187 B12R1.21 CC(=O)CCc1ccc(cc1)F 1458a_100000198493_200000210301 [0,2,0,0,0,0|0,0,2]=4 1188 B12R1.21 CC(=O)CCc1ccc(cc1)I 1458a_100011217499_200000210301 [0,2,0,0,0,0|0,0,2]=4 1189 B12R1.21 CC(=O)CCc1ccc(cc1)O 1458a_100000070787_100009816426 [0,2,0,0,0,0|0,0,2]=4 1190 B12R1.21 CC(=O)CCc1ccc(cc1)O 1458a_100000742835_200000210301 [0,2,0,0,0,0|0,0,2]=4 1191 B12R1.21 CC(=O)CCc1ccc(cc1)O 271570a_203496583355_100000723691 [0,2,0,0,0,0|0,0,2]=4 1192 B12R1.21 CC(=O)COc1ccc(cc1)Br 1458a_100000182358_200000210301 [0,2,0,0,0,0|1,0,1]=4 1193 B12R1.21 CC(=O)COc1ccc(cc1)C 1458a_100000182360_200000210301 [0,2,0,0,0,0|1,0,1]=4 1194 B12R1.21 CC(=O)COc1ccc(cc1)Cl 1458a_100016990877_200000210301 [0,2,0,0,0,0|1,0,1]=4 1195 B12R1.21 CC(=O)COc1ccc(cc1)F 1458a_100000184765_200000210301 [0,2,0,0,0,0|1,0,1]=4 1196 B12R1.21 CC(=O)COc1ccc(cc1)I 1458a_100000184369_200000210301 [0,2,0,0,0,0|1,0,1]=4 1197 B12R1.21 CC(=O)COc1ccc(cc1)O 1458a_100000031633_200000210301 [0,2,0,0,0,0|1,0,1]=4 1198 B12R1.21 CC(=O)CSc1ccc(cc1)Br 1458a_100000179496_200000210301 [0,2,0,0,0,0|1,0,1]=4 1199 B12R1.21 CC(=O)CSc1ccc(cc1)C 1458a_100000179497_200000210301 [0,2,0,0,0,0|1,0,1]=4 1200 B12R1.21 CC(=O)CSc1ccc(cc1)Cl 1458a_100000178402_200000210301 [0,2,0,0,0,0|1,0,1]=4 1201 B12R1.21 CC(=O)CSc1ccc(cc1)F 1458a_100000691584_200000210301 [0,2,0,0,0,0|1,0,1]=4 1202 B12R1.21 CC(=O)NCc1ccc(cc1)Br 11a_100000174875_100015343762 [0,2,0,0,0,0|1,0,1]=4 1203 B12R1.21 CC(=O)NCc1ccc(cc1)Br 1626a_100000174875_100015343762 [0,2,0,0,0,0|1,0,1]=4 1204 B12R1.21 CC(=O)NCc1ccc(cc1)Br 240690a_100000174875_100015343762 [0,2,0,0,0,0|1,0,1]=4 1205 B12R1.21 CC(=O)NCc1ccc(cc1)Br 527a_100000174875_100103153847 [0,2,0,0,0,0|1,0,1]=4 1206 B12R1.21 CC(=O)NCc1ccc(cc1)C 11a_100000174908_100015343762 [0,2,0,0,0,0|1,0,1]=4 1207 B12R1.21 CC(=O)NCc1ccc(cc1)C 1626a_100000174908_100015343762 [0,2,0,0,0,0|1,0,1]=4 1208 B12R1.21 CC(=O)NCc1ccc(cc1)C 240690a_100000174908_100015343762 [0,2,0,0,0,0|1,0,1]=4 1209 B12R1.21 CC(=O)NCc1ccc(cc1)C 527a_100000174908_100103153847 [0,2,0,0,0,0|1,0,1]=4 1210 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 11a_100000174871_100015343762 [0,2,0,0,0,0|1,0,1]=4 1211 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 1626a_100000174871_100015343762 [0,2,0,0,0,0|1,0,1]=4 1212 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 240690a_100000174871_100015343762 [0,2,0,0,0,0|1,0,1]=4 1213 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 527a_100000174871_100103153847 [0,2,0,0,0,0|1,0,1]=4 1214 B12R1.21 CC(=O)NCc1ccc(cc1)F 11a_100000174882_100015343762 [0,2,0,0,0,0|1,0,1]=4 1215 B12R1.21 CC(=O)NCc1ccc(cc1)F 1626a_100000174882_100015343762 [0,2,0,0,0,0|1,0,1]=4 1216 B12R1.21 CC(=O)NCc1ccc(cc1)F 240690a_100000174882_100015343762 [0,2,0,0,0,0|1,0,1]=4 1217 B12R1.21 CC(=O)NCc1ccc(cc1)F 527a_100000174882_100103153847 [0,2,0,0,0,0|1,0,1]=4 1218 B12R1.21 CC(=O)NCc1ccc(cc1)I 11a_100016989417_100015343762 [0,2,0,0,0,0|1,0,1]=4 1219 B12R1.21 CC(=O)NCc1ccc(cc1)I 1626a_100016989417_100015343762 [0,2,0,0,0,0|1,0,1]=4 1220 B12R1.21 CC(=O)NCc1ccc(cc1)I 240690a_100016989417_100015343762 [0,2,0,0,0,0|1,0,1]=4 1221 B12R1.21 CC(=O)NCc1ccc(cc1)I 527a_100016989417_100103153847 [0,2,0,0,0,0|1,0,1]=4 1222 B12R1.21 CC(=O)NCc1ccc(cc1)O 240690a_100000185549_100015343762 [0,2,0,0,0,0|1,0,1]=4 1223 B12R1.21 CC(=O)NCc1ccc(cc1)O 271570a_203496583355_200000685173 [0,2,0,0,0,0|1,0,1]=4 1224 B12R1.21 CC(=O)NCc1ccc(cc1)O 527a_100000185549_100103153847 [0,2,0,0,0,0|1,0,1]=4 1225 B12R1.21 CC(=O)NNc1ccc(cc1)Br 22a_100000735608_100000070787 [0,2,0,0,0,0|2,0,0]=4 1226 B12R1.21 CC(=O)NNc1ccc(cc1)C 22a_100000683527_100000070787 [0,2,0,0,0,0|2,0,0]=4 1227 B12R1.21 CC(=O)NNc1ccc(cc1)Cl 22a_100000683521_100000070787 [0,2,0,0,0,0|2,0,0]=4 1228 B12R1.21 CC(=O)NNc1ccc(cc1)F 22a_100000728448_100000070787 [0,2,0,0,0,0|2,0,0]=4 1229 B12R1.21 CC(=O)NNc1ccc(cc1)I 22a_100016988836_100000070787 [0,2,0,0,0,0|2,0,0]=4 1230 B12R1.21 CC(=O)NNc1ccc(cc1)O 271570a_203496583355_200009815283 [0,2,0,0,0,0|2,0,0]=4 1231 B12R1.21 CC(C)C=Cc1ccc(cc1)Br 271570a_100016257149_100000752885 [0,2,0,0,0,0|1,0,1]=4 1232 B12R1.21 CC(C)C=Cc1ccc(cc1)Cl 271570a_100016257149_100000755918 [0,2,0,0,0,0|1,0,1]=4 1233 B12R1.21 CC(C)C=Cc1ccc(cc1)F 271570a_100016257149_100000211213 [0,2,0,0,0,0|1,0,1]=4 1234 B12R1.21 CC(C)C=Cc1ccc(cc1)N 271570a_100016257149_100000185761 [0,2,0,0,0,0|1,0,1]=4 1235 B12R1.21 CC(C)C=Cc1ccc(cc1)O 271570a_100016257149_100000185759 [0,2,0,0,0,0|1,0,1]=4 1236 B12R1.21 CC(O)C=Cc1ccc(cc1)Br 271570a_200011019289_100000752885 [0,2,0,0,0,0|0,0,2]=4 1237 B12R1.21 CC(O)C=Cc1ccc(cc1)Cl 271570a_200011019289_100000755918 [0,2,0,0,0,0|0,0,2]=4 1238 B12R1.21 CC(O)C=Cc1ccc(cc1)F 271570a_200011019289_100000211213 [0,2,0,0,0,0|0,0,2]=4 1239 B12R1.21 CC(O)C=Cc1ccc(cc1)N 271570a_200011019289_100000185761 [0,2,0,0,0,0|0,0,2]=4 1240 B12R1.21 CC(O)C=Cc1ccc(cc1)O 271570a_200011019289_100000185759 [0,2,0,0,0,0|0,0,2]=4 1241 B12R1.21 Cc1ccc(cc1)C=CC(=O)[13CH3] 1458a_100000716854_200025704644 [0,2,0,0,0,0|0,0,0]=2 1242 B12R1.21 Cc1ccc(cc1)C=CC(C)C 271570a_100016257149_100000186775 [0,2,0,0,0,0|1,0,1]=4 1243 B12R1.21 Cc1ccc(cc1)C=CC(C)O 271570a_200011019289_100000186775 [0,2,0,0,0,0|0,0,2]=4 1244 B12R1.21 Cc1ccc(cc1)CCC(=O)[13CH3] 1458a_100000234883_200025704644 [0,2,0,0,0,0|0,0,2]=4 1245 B12R1.21 Cc1ccc(cc1)NCC(=O)N 34a_100000124888_100000187820 [0,2,0,0,0,0|1,0,1]=4 1246 B12R1.21 Cc1ccc(cc1)NCC(=O)[O-] 34a_100000124888_100020667443 [0,2,0,0,0,0|1,0,1]=4 1247 B12R1.21 Cc1ccc(cc1)OCC(=O)N 34a_100000210336_100000187820 [0,2,0,0,0,0|1,0,1]=4 1248 B12R1.21 Cc1ccc(cc1)OCC(=O)N 7a_100000210336_100000187820 [0,2,0,0,0,0|1,0,1]=4 1249 B12R1.21 Cc1ccc(cc1)OCC(=O)[13CH3] 1458a_100000182360_200025704644 [0,2,0,0,0,0|1,0,1]=4 1250 B12R1.21 Cc1ccc(cc1)OCC(=O)[O-] 34a_100000210336_100020667443 [0,2,0,0,0,0|1,0,1]=4 1251 B12R1.21 Cc1ccc(cc1)SCC(=O)N 62a_100000186775_100000747473 [0,2,0,0,0,0|1,0,1]=4 1252 B12R1.21 Cc1ccc(cc1)SCC(=O)N 62a_100000747473_100000186775 [0,2,0,0,0,0|1,0,1]=4 1253 B12R1.21 Cc1ccc(cc1)SCC(=O)[13CH3] 1458a_100000179497_200025704644 [0,2,0,0,0,0|1,0,1]=4 1254 B12R1.21 Cc1ccc(cc1)SCC(=O)[O-] 62a_100000186775_100020667443 [0,2,0,0,0,0|1,0,1]=4 1255 B12R1.21 Cc1ccc(cc1)SCC(=O)[O-] 62a_100020667443_100000186775 [0,2,0,0,0,0|1,0,1]=4 1256 B12R1.21 NC(=O)CCc1ccc(cc1)O 271570a_203496583355_200010110666 [0,2,0,0,0,0|0,0,2]=4 1257 B12R1.21 NC(=O)CNc1ccc(cc1)Br 2230a_100000210018_100000747473 [0,2,0,0,0,0|1,0,1]=4 1258 B12R1.21 NC(=O)CNc1ccc(cc1)Br 34a_100000210018_100000187820 [0,2,0,0,0,0|1,0,1]=4 1259 B12R1.21 NC(=O)CNc1ccc(cc1)Cl 2230a_100000210052_100000747473 [0,2,0,0,0,0|1,0,1]=4 1260 B12R1.21 NC(=O)CNc1ccc(cc1)Cl 34a_100000210052_100000187820 [0,2,0,0,0,0|1,0,1]=4 1261 B12R1.21 NC(=O)CNc1ccc(cc1)F 34a_100000185862_100000187820 [0,2,0,0,0,0|1,0,1]=4 1262 B12R1.21 NC(=O)CNc1ccc(cc1)I 34a_100000185761_100000187820 [0,2,0,0,0,0|1,0,1]=4 1263 B12R1.21 NC(=O)CNc1ccc(cc1)O 34a_100000185829_100000187820 [0,2,0,0,0,0|1,0,1]=4 1264 B12R1.21 NC(=O)COc1ccc(cc1)Br 34a_100000185759_100000187820 [0,2,0,0,0,0|1,0,1]=4 1265 B12R1.21 NC(=O)COc1ccc(cc1)Br 7a_100000185759_100000187820 [0,2,0,0,0,0|1,0,1]=4 1266 B12R1.21 NC(=O)COc1ccc(cc1)Cl 34a_100000210216_100000187820 [0,2,0,0,0,0|1,0,1]=4 1267 B12R1.21 NC(=O)COc1ccc(cc1)Cl 7a_100000210216_100000187820 [0,2,0,0,0,0|1,0,1]=4 1268 B12R1.21 NC(=O)COc1ccc(cc1)F 34a_100000210339_100000187820 [0,2,0,0,0,0|1,0,1]=4 1269 B12R1.21 NC(=O)COc1ccc(cc1)I 34a_100000212066_100000187820 [0,2,0,0,0,0|1,0,1]=4 1270 B12R1.21 NC(=O)COc1ccc(cc1)I 7a_100000212066_100000187820 [0,2,0,0,0,0|1,0,1]=4 1271 B12R1.21 NC(=O)COc1ccc(cc1)N 34a_100000185829_100000187820 [0,2,0,0,0,0|1,0,1]=4 1272 B12R1.21 NC(=O)CSc1ccc(cc1)Br 62a_100000747473_100000752885 [0,2,0,0,0,0|1,0,1]=4 1273 B12R1.21 NC(=O)CSc1ccc(cc1)Br 62a_100000752885_100000747473 [0,2,0,0,0,0|1,0,1]=4 1274 B12R1.21 NC(=O)CSc1ccc(cc1)Cl 62a_100000747473_100000755918 [0,2,0,0,0,0|1,0,1]=4 1275 B12R1.21 NC(=O)CSc1ccc(cc1)Cl 62a_100000755918_100000747473 [0,2,0,0,0,0|1,0,1]=4 1276 B12R1.21 NC(=O)CSc1ccc(cc1)F 62a_100000211213_100000747473 [0,2,0,0,0,0|1,0,1]=4 1277 B12R1.21 NC(=O)CSc1ccc(cc1)F 62a_100000747473_100000211213 [0,2,0,0,0,0|1,0,1]=4 1278 B12R1.21 NC(=O)CSc1ccc(cc1)N 62a_100000185761_100000747473 [0,2,0,0,0,0|1,0,1]=4 1279 B12R1.21 NC(=O)CSc1ccc(cc1)N 62a_100000747473_100000185761 [0,2,0,0,0,0|1,0,1]=4 1280 B12R1.21 NC(=O)CSc1ccc(cc1)O 271570a_203496583355_100000149456 [0,2,0,0,0,0|1,0,1]=4 1281 B12R1.21 NC(=O)CSc1ccc(cc1)O 62a_100000747473_100000185759 [0,2,0,0,0,0|1,0,1]=4 1282 B12R1.21 Nc1ccc(cc1)OCC(=O)[O-] 34a_100000185829_100020667443 [0,2,0,0,0,0|1,0,1]=4 1283 B12R1.21 Nc1ccc(cc1)SCC(=O)[O-] 62a_100000185761_100020667443 [0,2,0,0,0,0|1,0,1]=4 1284 B12R1.21 Nc1ccc(cc1)SCC(=O)[O-] 62a_100020667443_100000185761 [0,2,0,0,0,0|1,0,1]=4 1285 B12R1.21 O=C([O-])CNc1ccc(cc1)Br 34a_100000210018_100020667443 [0,2,0,0,0,0|1,0,1]=4 1286 B12R1.21 O=C([O-])CNc1ccc(cc1)Cl 34a_100000210052_100020667443 [0,2,0,0,0,0|1,0,1]=4 1287 B12R1.21 O=C([O-])CNc1ccc(cc1)F 34a_100000185862_100020667443 [0,2,0,0,0,0|1,0,1]=4 1288 B12R1.21 O=C([O-])CNc1ccc(cc1)I 34a_100000185761_100020667443 [0,2,0,0,0,0|1,0,1]=4 1289 B12R1.21 O=C([O-])CNc1ccc(cc1)O 34a_100000185829_100020667443 [0,2,0,0,0,0|1,0,1]=4 1290 B12R1.21 O=C([O-])COc1ccc(cc1)Br 34a_100000185759_100020667443 [0,2,0,0,0,0|1,0,1]=4 1291 B12R1.21 O=C([O-])COc1ccc(cc1)Cl 34a_100000210216_100020667443 [0,2,0,0,0,0|1,0,1]=4 1292 B12R1.21 O=C([O-])COc1ccc(cc1)F 34a_100000210339_100020667443 [0,2,0,0,0,0|1,0,1]=4 1293 B12R1.21 O=C([O-])COc1ccc(cc1)I 34a_100000212066_100020667443 [0,2,0,0,0,0|1,0,1]=4 1294 B12R1.21 O=C([O-])CSc1ccc(cc1)Br 62a_100000752885_100020667443 [0,2,0,0,0,0|1,0,1]=4 1295 B12R1.21 O=C([O-])CSc1ccc(cc1)Br 62a_100020667443_100000752885 [0,2,0,0,0,0|1,0,1]=4 1296 B12R1.21 O=C([O-])CSc1ccc(cc1)Cl 62a_100000755918_100020667443 [0,2,0,0,0,0|1,0,1]=4 1297 B12R1.21 O=C([O-])CSc1ccc(cc1)Cl 62a_100020667443_100000755918 [0,2,0,0,0,0|1,0,1]=4 1298 B12R1.21 O=C([O-])CSc1ccc(cc1)F 62a_100000211213_100020667443 [0,2,0,0,0,0|1,0,1]=4 1299 B12R1.21 O=C([O-])CSc1ccc(cc1)F 62a_100020667443_100000211213 [0,2,0,0,0,0|1,0,1]=4 1300 B12R1.21 O=C([O-])CSc1ccc(cc1)O 62a_100020667443_100000185759 [0,2,0,0,0,0|1,0,1]=4 1301 B12R1.21 [13CH3]C(=O)C#Cc1ccc(cc1)Br 1458a_100012100275_200025704644 [0,2,0,0,0,0|0,0,2]=4 1302 B12R1.21 [13CH3]C(=O)C#Cc1ccc(cc1)Cl 1458a_100011892723_200025704644 [0,2,0,0,0,0|0,0,2]=4 1303 B12R1.21 [13CH3]C(=O)C#Cc1ccc(cc1)F 1458a_100000238512_200025704644 [0,2,0,0,0,0|0,0,2]=4 1304 B12R1.21 [13CH3]C(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_200025704644 [0,2,0,0,0,0|0,0,0]=2 1305 B12R1.21 [13CH3]C(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_200025704644 [0,2,0,0,0,0|0,0,0]=2 1306 B12R1.21 [13CH3]C(=O)C=Cc1ccc(cc1)F 1458a_100000182136_200025704644 [0,2,0,0,0,0|0,0,0]=2 1307 B12R1.21 [13CH3]C(=O)C=Cc1ccc(cc1)I 1458a_100102526154_200025704644 [0,2,0,0,0,0|0,0,0]=2 1308 B12R1.21 [13CH3]C(=O)C=Cc1ccc(cn1)F 1458a_100020630499_200025704644 [0,2,0,0,0,0|1,0,0]=3 1309 B12R1.21 [13CH3]C(=O)C=Cc1ccc(nc1)Br 1458a_100020588214_200025704644 [0,2,0,0,0,0|1,0,0]=3 1310 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)Br 1458a_100000217147_200025704644 [0,2,0,0,0,0|0,0,2]=4 1311 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)Cl 1458a_100000235379_200025704644 [0,2,0,0,0,0|0,0,2]=4 1312 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)F 1458a_100000198493_200025704644 [0,2,0,0,0,0|0,0,2]=4 1313 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)I 1458a_100011217499_200025704644 [0,2,0,0,0,0|0,0,2]=4 1314 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)O 1458a_100000742835_200025704644 [0,2,0,0,0,0|0,0,2]=4 1315 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)Br 1458a_100000182358_200025704644 [0,2,0,0,0,0|1,0,1]=4 1316 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)Cl 1458a_100016990877_200025704644 [0,2,0,0,0,0|1,0,1]=4 1317 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)F 1458a_100000184765_200025704644 [0,2,0,0,0,0|1,0,1]=4 1318 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)I 1458a_100000184369_200025704644 [0,2,0,0,0,0|1,0,1]=4 1319 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)O 1458a_100000031633_200025704644 [0,2,0,0,0,0|1,0,1]=4 1320 B12R1.21 [13CH3]C(=O)CSc1ccc(cc1)Br 1458a_100000179496_200025704644 [0,2,0,0,0,0|1,0,1]=4 1321 B12R1.21 [13CH3]C(=O)CSc1ccc(cc1)Cl 1458a_100000178402_200025704644 [0,2,0,0,0,0|1,0,1]=4 1322 B12R1.21 [13CH3]C(=O)CSc1ccc(cc1)F 1458a_100000691584_200025704644 [0,2,0,0,0,0|1,0,1]=4 1323 B12R1.49 C=CC(=O)Cc1ccc(cc1)Br 1458a_100000185746_100000189115 [0,2,0,0,0,0|1,0,1]=4 1324 B12R1.49 C=CC(=O)Cc1ccc(cc1)C 1458a_100000185746_100000210814 [0,2,0,0,0,0|1,0,1]=4 1325 B12R1.49 C=CC(=O)Cc1ccc(cc1)Cl 1458a_100000185746_100000694040 [0,2,0,0,0,0|1,0,1]=4 1326 B12R1.49 C=CC(=O)Cc1ccc(cc1)F 1458a_100000185746_100000198546 [0,2,0,0,0,0|1,0,1]=4 1327 B12R1.49 C=CC(=O)Cc1ccc(cc1)I 1458a_100000185746_100000189116 [0,2,0,0,0,0|1,0,1]=4 1328 B12R1.49 C=CC(=O)Nc1ccc(cc1)Br 1626a_100000210018_100000185746 [0,2,0,0,0,0|2,0,0]=4 1329 B12R1.49 C=CC(=O)Nc1ccc(cc1)Br 22a_100000210018_100000185746 [0,2,0,0,0,0|2,0,0]=4 1330 B12R1.49 C=CC(=O)Nc1ccc(cc1)C 1626a_100000124888_100000185746 [0,2,0,0,0,0|2,0,0]=4 1331 B12R1.49 C=CC(=O)Nc1ccc(cc1)C 22a_100000124888_100000185746 [0,2,0,0,0,0|2,0,0]=4 1332 B12R1.49 C=CC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100000185746 [0,2,0,0,0,0|2,0,0]=4 1333 B12R1.49 C=CC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000185746 [0,2,0,0,0,0|2,0,0]=4 1334 B12R1.49 C=CC(=O)Nc1ccc(cc1)F 1626a_100000185862_100000185746 [0,2,0,0,0,0|2,0,0]=4 1335 B12R1.49 C=CC(=O)Nc1ccc(cc1)F 22a_100000185862_100000185746 [0,2,0,0,0,0|2,0,0]=4 1336 B12R1.49 C=CC(=O)Nc1ccc(cc1)I 1626a_100000185761_100000185746 [0,2,0,0,0,0|2,0,0]=4 1337 B12R1.49 C=CC(=O)Nc1ccc(cc1)I 22a_100000185761_100000185746 [0,2,0,0,0,0|2,0,0]=4 1338 B12R1.49 C=CC(=O)Nc1ccc(cc1)O 22a_100000185829_100000185746 [0,2,0,0,0,0|2,0,0]=4 1339 B12R1.49 CC(=Cc1ccc(cc1)Br)C#N 6a_100000186029_200000212204 [0,2,0,0,0,0|1,0,1]=4 1340 B12R1.49 CC(=Cc1ccc(cc1)F)C#N 6a_100000210084_200000212204 [0,2,0,0,0,0|1,0,1]=4 1341 B12R1.49 CC(=Cc1ccc(cc1)I)C#N 6a_100000188517_200000212204 [0,2,0,0,0,0|1,0,1]=4 1342 B12R1.49 N#CC(=Cc1ccc(cc1)Br)F 6a_100000186029_200000032654 [0,2,0,0,0,0|1,0,1]=4 1343 B12R1.49 N#CC(=Cc1ccc(cc1)F)F 6a_100000210084_200000032654 [0,2,0,0,0,0|1,0,1]=4 1344 B12R1.49 N#CC(=Cc1ccc(cc1)I)F 6a_100000188517_200000032654 [0,2,0,0,0,0|1,0,1]=4 1345 B12R1.69 Cc1cc(ccc1NCC=O)Br 34a_100000211769_200009817547 [0,2,0,0,0,0|1,0,1]=4 1346 B12R1.69 Cc1cc(ccc1NCC=O)Br 7a_100000211769_200015260668 [0,2,0,0,0,0|1,0,1]=4 1347 B12R1.69 Cc1cc(ccc1NCC=O)Cl 34a_100000210418_200009817547 [0,2,0,0,0,0|1,0,1]=4 1348 B12R1.69 Cc1cc(ccc1NCC=O)Cl 7a_100000210418_200015260668 [0,2,0,0,0,0|1,0,1]=4 1349 B12R1.69 Cc1cc(ccc1NCC=O)F 34a_100000211637_200009817547 [0,2,0,0,0,0|1,0,1]=4 1350 B12R1.69 Cc1cc(ccc1NCC=O)F 7a_100000211637_200015260668 [0,2,0,0,0,0|1,0,1]=4 1351 B12R1.69 Cc1cc(ccc1NCC=O)I 34a_100000184554_200009817547 [0,2,0,0,0,0|1,0,1]=4 1352 B12R1.69 Cc1cc(ccc1NCC=O)I 7a_100000184554_200015260668 [0,2,0,0,0,0|1,0,1]=4 1353 B12R1.69 Cc1cc(ccc1NCC=O)O 34a_100000756630_200009817547 [0,2,0,0,0,0|1,0,1]=4 1354 B12R1.69 Cc1cc(ccc1OCC=O)Br 34a_100000186361_200009817547 [0,2,0,0,0,0|1,0,1]=4 1355 B12R1.69 Cc1cc(ccc1OCC=O)Br 7a_100000186361_200015260668 [0,2,0,0,0,0|1,0,1]=4 1356 B12R1.69 Cc1cc(ccc1OCC=O)Cl 34a_100000211091_200009817547 [0,2,0,0,0,0|1,0,1]=4 1357 B12R1.69 Cc1cc(ccc1OCC=O)Cl 7a_100000211091_200015260668 [0,2,0,0,0,0|1,0,1]=4 1358 B12R1.69 Cc1cc(ccc1OCC=O)F 34a_100000764316_200009817547 [0,2,0,0,0,0|1,0,1]=4 1359 B12R1.69 Cc1cc(ccc1OCC=O)F 7a_100000764316_200015260668 [0,2,0,0,0,0|1,0,1]=4 1360 B12R1.69 Cc1cc(ccc1OCC=O)I 34a_100011218673_200009817547 [0,2,0,0,0,0|1,0,1]=4 1361 B12R1.69 Cc1cc(ccc1OCC=O)I 7a_100011218673_200015260668 [0,2,0,0,0,0|1,0,1]=4 1362 B12R1.69 Cc1cc(ccc1OCC=O)N 34a_100011218179_200009817547 [0,2,0,0,0,0|1,0,1]=4 1363 B12R1.69 Cc1cc(ccc1OCC=O)N 7a_100011218179_200015260668 [0,2,0,0,0,0|1,0,1]=4 1364 B12R1.69 Cc1cc(ccc1SCC=O)Br 62a_100000701812_200015260668 [0,2,0,0,0,0|1,0,1]=4 1365 B12R1.69 Cc1cc(ccc1SCC=O)Br 62a_200015260668_100000701812 [0,2,0,0,0,0|1,0,1]=4 1366 B12R1.69 Cc1cc(ccc1SCC=O)Cl 62a_100011219607_200015260668 [0,2,0,0,0,0|1,0,1]=4 1367 B12R1.69 Cc1cc(ccc1SCC=O)Cl 62a_200015260668_100011219607 [0,2,0,0,0,0|1,0,1]=4 1368 B12R1.69 Cc1cc(ccc1SCC=O)F 62a_100011205405_200015260668 [0,2,0,0,0,0|1,0,1]=4 1369 B12R1.69 Cc1cc(ccc1SCC=O)F 62a_200015260668_100011205405 [0,2,0,0,0,0|1,0,1]=4 1370 B12R1.69 Cc1cc(ccc1SCC=O)N 62a_100000210723_200015260668 [0,2,0,0,0,0|1,0,1]=4 1371 B12R1.69 Cc1cc(ccc1SCC=O)N 62a_200015260668_100000210723 [0,2,0,0,0,0|1,0,1]=4 1372 B12R1.69 Cc1cc(ccc1SCC=O)O 62a_200015260668_100000690111 [0,2,0,0,0,0|1,0,1]=4 1373 B12R1.69 Cc1ccc(c(c1)Br)NCC=O 34a_100000210942_200009817547 [0,2,0,0,0,0|1,0,1]=4 1374 B12R1.69 Cc1ccc(c(c1)Br)OCC=O 34a_100000210800_200009817547 [0,2,0,0,0,0|1,0,1]=4 1375 B12R1.69 Cc1ccc(c(c1)Br)OCC=O 7a_100000210800_200015260668 [0,2,0,0,0,0|1,0,1]=4 1376 B12R1.69 Cc1ccc(c(c1)Br)SCC=O 62a_100009813563_200015260668 [0,2,0,0,0,0|1,0,1]=4 1377 B12R1.69 Cc1ccc(c(c1)Br)SCC=O 62a_200015260668_100009813563 [0,2,0,0,0,0|1,0,1]=4 1378 B12R1.69 Cc1ccc(c(c1)C)NCC=O 34a_100000736561_200009817547 [0,2,0,0,0,0|1,0,1]=4 1379 B12R1.69 Cc1ccc(c(c1)C)NCC=O 7a_100000736561_200015260668 [0,2,0,0,0,0|1,0,1]=4 1380 B12R1.69 Cc1ccc(c(c1)C)OCC=O 34a_100000211776_200009817547 [0,2,0,0,0,0|1,0,1]=4 1381 B12R1.69 Cc1ccc(c(c1)C)OCC=O 7a_100000211776_200015260668 [0,2,0,0,0,0|1,0,1]=4 1382 B12R1.69 Cc1ccc(c(c1)C)SCC=O 62a_100011217332_200015260668 [0,2,0,0,0,0|1,0,1]=4 1383 B12R1.69 Cc1ccc(c(c1)C)SCC=O 62a_200015260668_100011217332 [0,2,0,0,0,0|1,0,1]=4 1384 B12R1.69 Cc1ccc(c(c1)Cl)NCC=O 34a_100000210522_200009817547 [0,2,0,0,0,0|1,0,1]=4 1385 B12R1.69 Cc1ccc(c(c1)Cl)OCC=O 34a_100000749699_200009817547 [0,2,0,0,0,0|1,0,1]=4 1386 B12R1.69 Cc1ccc(c(c1)Cl)OCC=O 7a_100000749699_200015260668 [0,2,0,0,0,0|1,0,1]=4 1387 B12R1.69 Cc1ccc(c(c1)Cl)SCC=O 62a_100011263221_200015260668 [0,2,0,0,0,0|1,0,1]=4 1388 B12R1.69 Cc1ccc(c(c1)Cl)SCC=O 62a_200015260668_100011263221 [0,2,0,0,0,0|1,0,1]=4 1389 B12R1.69 Cc1ccc(c(c1)F)NCC=O 34a_100000211023_200009817547 [0,2,0,0,0,0|1,0,1]=4 1390 B12R1.69 Cc1ccc(c(c1)F)OCC=O 34a_100011216688_200009817547 [0,2,0,0,0,0|1,0,1]=4 1391 B12R1.69 Cc1ccc(c(c1)F)OCC=O 7a_100011216688_200015260668 [0,2,0,0,0,0|1,0,1]=4 1392 B12R1.69 Cc1ccc(c(c1)F)SCC=O 62a_100011216119_200015260668 [0,2,0,0,0,0|1,0,1]=4 1393 B12R1.69 Cc1ccc(c(c1)F)SCC=O 62a_200015260668_100011216119 [0,2,0,0,0,0|1,0,1]=4 1394 B12R1.69 Cc1ccc(c(c1)I)NCC=O 34a_100011356834_200009817547 [0,2,0,0,0,0|1,0,1]=4 1395 B12R1.69 Cc1ccc(c(c1)I)OCC=O 34a_100000765521_200009817547 [0,2,0,0,0,0|1,0,1]=4 1396 B12R1.69 Cc1ccc(c(c1)I)OCC=O 7a_100000765521_200015260668 [0,2,0,0,0,0|1,0,1]=4 1397 B12R1.69 Cc1ccc(c(c1)N)OCC=O 34a_100011215204_200009817547 [0,2,0,0,0,0|1,0,1]=4 1398 B12R1.69 Cc1ccc(c(c1)N)OCC=O 7a_100011215204_200015260668 [0,2,0,0,0,0|1,0,1]=4 1399 B12R1.69 Cc1ccc(c(c1)N)SCC=O 62a_100011216686_200015260668 [0,2,0,0,0,0|1,0,1]=4 1400 B12R1.69 Cc1ccc(c(c1)N)SCC=O 62a_200015260668_100011216686 [0,2,0,0,0,0|1,0,1]=4 1401 B12R1.69 Cc1ccc(c(c1)O)NCC=O 34a_100000211527_200009817547 [0,2,0,0,0,0|1,0,1]=4 1402 B12R1.69 Cc1ccc(c(c1)O)SCC=O 62a_100012002257_200015260668 [0,2,0,0,0,0|1,0,1]=4 1403 B12R1.69 Cc1ccc(c(c1)O)SCC=O 62a_200015260668_100012002257 [0,2,0,0,0,0|1,0,1]=4 1404 B12R1.69 Nc1cc(ccc1OCC=O)Br 34a_100000752626_200009817547 [0,2,0,0,0,0|1,0,1]=4 1405 B12R1.69 Nc1cc(ccc1OCC=O)Br 7a_100000752626_200015260668 [0,2,0,0,0,0|1,0,1]=4 1406 B12R1.69 Nc1cc(ccc1OCC=O)Cl 34a_100000210500_200009817547 [0,2,0,0,0,0|1,0,1]=4 1407 B12R1.69 Nc1cc(ccc1OCC=O)Cl 7a_100000210500_200015260668 [0,2,0,0,0,0|1,0,1]=4 1408 B12R1.69 Nc1cc(ccc1OCC=O)F 34a_100000759472_200009817547 [0,2,0,0,0,0|1,0,1]=4 1409 B12R1.69 Nc1cc(ccc1OCC=O)F 7a_100000759472_200015260668 [0,2,0,0,0,0|1,0,1]=4 1410 B12R1.69 Nc1cc(ccc1OCC=O)I 34a_100000753495_200009817547 [0,2,0,0,0,0|1,0,1]=4 1411 B12R1.69 Nc1cc(ccc1OCC=O)I 7a_100000753495_200015260668 [0,2,0,0,0,0|1,0,1]=4 1412 B12R1.69 Nc1cc(ccc1SCC=O)Br 62a_100000743836_200015260668 [0,2,0,0,0,0|1,0,1]=4 1413 B12R1.69 Nc1cc(ccc1SCC=O)Br 62a_200015260668_100000743836 [0,2,0,0,0,0|1,0,1]=4 1414 B12R1.69 Nc1cc(ccc1SCC=O)Cl 62a_100000761886_200015260668 [0,2,0,0,0,0|1,0,1]=4 1415 B12R1.69 Nc1cc(ccc1SCC=O)Cl 62a_200015260668_100000761886 [0,2,0,0,0,0|1,0,1]=4 1416 B12R1.69 Nc1cc(ccc1SCC=O)F 62a_100000687223_200015260668 [0,2,0,0,0,0|1,0,1]=4 1417 B12R1.69 Nc1cc(ccc1SCC=O)F 62a_200015260668_100000687223 [0,2,0,0,0,0|1,0,1]=4 1418 B12R1.69 Nc1cc(ccc1SCC=O)O 62a_100011999798_200015260668 [0,2,0,0,0,0|1,0,1]=4 1419 B12R1.69 Nc1cc(ccc1SCC=O)O 62a_200015260668_100011999798 [0,2,0,0,0,0|1,0,1]=4 1420 B12R1.69 Nc1ccc(c(c1)Br)OCC=O 34a_100011534360_200009817547 [0,2,0,0,0,0|1,0,1]=4 1421 B12R1.69 Nc1ccc(c(c1)Br)OCC=O 7a_100011534360_200015260668 [0,2,0,0,0,0|1,0,1]=4 1422 B12R1.69 Nc1ccc(c(c1)Br)SCC=O 62a_100000750458_200015260668 [0,2,0,0,0,0|1,0,1]=4 1423 B12R1.69 Nc1ccc(c(c1)Br)SCC=O 62a_200015260668_100000750458 [0,2,0,0,0,0|1,0,1]=4 1424 B12R1.69 Nc1ccc(c(c1)Cl)OCC=O 34a_100000744943_200009817547 [0,2,0,0,0,0|1,0,1]=4 1425 B12R1.69 Nc1ccc(c(c1)Cl)OCC=O 7a_100000744943_200015260668 [0,2,0,0,0,0|1,0,1]=4 1426 B12R1.69 Nc1ccc(c(c1)Cl)SCC=O 62a_100000761885_200015260668 [0,2,0,0,0,0|1,0,1]=4 1427 B12R1.69 Nc1ccc(c(c1)Cl)SCC=O 62a_200015260668_100000761885 [0,2,0,0,0,0|1,0,1]=4 1428 B12R1.69 Nc1ccc(c(c1)F)OCC=O 34a_100011220035_200009817547 [0,2,0,0,0,0|1,0,1]=4 1429 B12R1.69 Nc1ccc(c(c1)F)OCC=O 7a_100011220035_200015260668 [0,2,0,0,0,0|1,0,1]=4 1430 B12R1.69 Nc1ccc(c(c1)F)SCC=O 62a_100011356925_200015260668 [0,2,0,0,0,0|1,0,1]=4 1431 B12R1.69 Nc1ccc(c(c1)F)SCC=O 62a_200015260668_100011356925 [0,2,0,0,0,0|1,0,1]=4 1432 B12R1.69 Nc1ccc(c(c1)N)OCC=O 34a_100000725306_200009817547 [0,2,0,0,0,0|1,0,1]=4 1433 B12R1.69 Nc1ccc(c(c1)N)SCC=O 62a_200012175722_200015260668 [0,2,0,0,0,0|1,0,1]=4 1434 B12R1.69 Nc1ccc(c(c1)N)SCC=O 62a_200015260668_200012175722 [0,2,0,0,0,0|1,0,1]=4 1435 B12R1.69 O=CCNc1ccc(cc1Br)Br 34a_100000211012_200009817547 [0,2,0,0,0,0|1,0,1]=4 1436 B12R1.69 O=CCNc1ccc(cc1Br)Cl 34a_100000752454_200009817547 [0,2,0,0,0,0|1,0,1]=4 1437 B12R1.69 O=CCNc1ccc(cc1Br)F 34a_100000738039_200009817547 [0,2,0,0,0,0|1,0,1]=4 1438 B12R1.69 O=CCNc1ccc(cc1Br)O 34a_100012001276_200009817547 [0,2,0,0,0,0|1,0,1]=4 1439 B12R1.69 O=CCNc1ccc(cc1Cl)Br 34a_100000211467_200009817547 [0,2,0,0,0,0|1,0,1]=4 1440 B12R1.69 O=CCNc1ccc(cc1Cl)Cl 34a_100000185861_200009817547 [0,2,0,0,0,0|1,0,1]=4 1441 B12R1.69 O=CCNc1ccc(cc1Cl)F 34a_100000212003_200009817547 [0,2,0,0,0,0|1,0,1]=4 1442 B12R1.69 O=CCNc1ccc(cc1Cl)I 34a_100011218065_200009817547 [0,2,0,0,0,0|1,0,1]=4 1443 B12R1.69 O=CCNc1ccc(cc1Cl)O 34a_100011215599_200009817547 [0,2,0,0,0,0|1,0,1]=4 1444 B12R1.69 O=CCNc1ccc(cc1F)Br 34a_100000210722_200009817547 [0,2,0,0,0,0|1,0,1]=4 1445 B12R1.69 O=CCNc1ccc(cc1F)Cl 34a_100000211020_200009817547 [0,2,0,0,0,0|1,0,1]=4 1446 B12R1.69 O=CCNc1ccc(cc1F)F 34a_100000210720_200009817547 [0,2,0,0,0,0|1,0,1]=4 1447 B12R1.69 O=CCNc1ccc(cc1F)I 34a_100011215594_200009817547 [0,2,0,0,0,0|1,0,1]=4 1448 B12R1.69 O=CCNc1ccc(cc1F)O 34a_100000759473_200009817547 [0,2,0,0,0,0|1,0,1]=4 1449 B12R1.69 O=CCNc1ccc(cc1I)Br 34a_100000187925_200009817547 [0,2,0,0,0,0|1,0,1]=4 1450 B12R1.69 O=CCNc1ccc(cc1I)Cl 34a_100000761889_200009817547 [0,2,0,0,0,0|1,0,1]=4 1451 B12R1.69 O=CCNc1ccc(cc1I)F 34a_100000760547_200009817547 [0,2,0,0,0,0|1,0,1]=4 1452 B12R1.69 O=CCNc1ccc(cc1I)O 34a_100010084370_200009817547 [0,2,0,0,0,0|1,0,1]=4 1453 B12R1.69 O=CCNc1ccc(cc1O)Br 34a_100000739049_200009817547 [0,2,0,0,0,0|1,0,1]=4 1454 B12R1.69 O=CCNc1ccc(cc1O)Cl 34a_100000185728_200009817547 [0,2,0,0,0,0|1,0,1]=4 1455 B12R1.69 O=CCNc1ccc(cc1O)F 34a_100000753323_200009817547 [0,2,0,0,0,0|1,0,1]=4 1456 B12R1.69 O=CCNc1ccc(cc1O)O 34a_100000106777_200009817547 [0,2,0,0,0,0|1,0,1]=4 1457 B12R1.69 O=CCOc1ccc(cc1Br)Br 34a_100000188717_200009817547 [0,2,0,0,0,0|1,0,1]=4 1458 B12R1.69 O=CCOc1ccc(cc1Br)Br 7a_100000188717_200015260668 [0,2,0,0,0,0|1,0,1]=4 1459 B12R1.69 O=CCOc1ccc(cc1Br)Cl 34a_100000211998_200009817547 [0,2,0,0,0,0|1,0,1]=4 1460 B12R1.69 O=CCOc1ccc(cc1Br)Cl 7a_100000211998_200015260668 [0,2,0,0,0,0|1,0,1]=4 1461 B12R1.69 O=CCOc1ccc(cc1Br)F 34a_100000211999_200009817547 [0,2,0,0,0,0|1,0,1]=4 1462 B12R1.69 O=CCOc1ccc(cc1Br)F 7a_100000211999_200015260668 [0,2,0,0,0,0|1,0,1]=4 1463 B12R1.69 O=CCOc1ccc(cc1Br)I 34a_100012361655_200009817547 [0,2,0,0,0,0|1,0,1]=4 1464 B12R1.69 O=CCOc1ccc(cc1Br)I 7a_100012361655_200015260668 [0,2,0,0,0,0|1,0,1]=4 1465 B12R1.69 O=CCOc1ccc(cc1Cl)Br 34a_100000186472_200009817547 [0,2,0,0,0,0|1,0,1]=4 1466 B12R1.69 O=CCOc1ccc(cc1Cl)Br 7a_100000186472_200015260668 [0,2,0,0,0,0|1,0,1]=4 1467 B12R1.69 O=CCOc1ccc(cc1Cl)Cl 34a_100015191787_200009817547 [0,2,0,0,0,0|1,0,1]=4 1468 B12R1.69 O=CCOc1ccc(cc1Cl)Cl 7a_100015191787_200015260668 [0,2,0,0,0,0|1,0,1]=4 1469 B12R1.69 O=CCOc1ccc(cc1Cl)F 34a_100000212004_200009817547 [0,2,0,0,0,0|1,0,1]=4 1470 B12R1.69 O=CCOc1ccc(cc1Cl)F 7a_100000212004_200015260668 [0,2,0,0,0,0|1,0,1]=4 1471 B12R1.69 O=CCOc1ccc(cc1Cl)I 34a_100012360047_200009817547 [0,2,0,0,0,0|1,0,1]=4 1472 B12R1.69 O=CCOc1ccc(cc1Cl)I 7a_100012360047_200015260668 [0,2,0,0,0,0|1,0,1]=4 1473 B12R1.69 O=CCOc1ccc(cc1F)Br 34a_100000185481_200009817547 [0,2,0,0,0,0|1,0,1]=4 1474 B12R1.69 O=CCOc1ccc(cc1F)Br 7a_100000185481_200015260668 [0,2,0,0,0,0|1,0,1]=4 1475 B12R1.69 O=CCOc1ccc(cc1F)Cl 34a_100000230166_200009817547 [0,2,0,0,0,0|1,0,1]=4 1476 B12R1.69 O=CCOc1ccc(cc1F)Cl 7a_100000230166_200015260668 [0,2,0,0,0,0|1,0,1]=4 1477 B12R1.69 O=CCOc1ccc(cc1F)F 34a_100000230127_200009817547 [0,2,0,0,0,0|1,0,1]=4 1478 B12R1.69 O=CCOc1ccc(cc1F)F 7a_100000230127_200015260668 [0,2,0,0,0,0|1,0,1]=4 1479 B12R1.69 O=CCOc1ccc(cc1F)I 34a_100011356965_200009817547 [0,2,0,0,0,0|1,0,1]=4 1480 B12R1.69 O=CCOc1ccc(cc1F)I 7a_100011356965_200015260668 [0,2,0,0,0,0|1,0,1]=4 1481 B12R1.69 O=CCOc1ccc(cc1I)Br 34a_100012355227_200009817547 [0,2,0,0,0,0|1,0,1]=4 1482 B12R1.69 O=CCOc1ccc(cc1I)Br 7a_100012355227_200015260668 [0,2,0,0,0,0|1,0,1]=4 1483 B12R1.69 O=CCOc1ccc(cc1I)Cl 34a_100011356953_200009817547 [0,2,0,0,0,0|1,0,1]=4 1484 B12R1.69 O=CCOc1ccc(cc1I)Cl 7a_100011356953_200015260668 [0,2,0,0,0,0|1,0,1]=4 1485 B12R1.69 O=CCOc1ccc(cc1I)F 34a_100012355409_200009817547 [0,2,0,0,0,0|1,0,1]=4 1486 B12R1.69 O=CCOc1ccc(cc1I)F 7a_100012355409_200015260668 [0,2,0,0,0,0|1,0,1]=4 1487 B12R1.69 O=CCOc1ccc(cc1I)I 7a_100010001573_200015260668 [0,2,0,0,0,0|1,0,1]=4 1488 B12R1.69 O=CCSc1ccc(cc1Br)Br 62a_100011484698_200015260668 [0,2,0,0,0,0|1,0,1]=4 1489 B12R1.69 O=CCSc1ccc(cc1Br)Br 62a_200015260668_100011484698 [0,2,0,0,0,0|1,0,1]=4 1490 B12R1.69 O=CCSc1ccc(cc1Br)Cl 62a_100011219703_200015260668 [0,2,0,0,0,0|1,0,1]=4 1491 B12R1.69 O=CCSc1ccc(cc1Br)Cl 62a_200015260668_100011219703 [0,2,0,0,0,0|1,0,1]=4 1492 B12R1.69 O=CCSc1ccc(cc1Br)F 62a_100011217111_200015260668 [0,2,0,0,0,0|1,0,1]=4 1493 B12R1.69 O=CCSc1ccc(cc1Br)F 62a_200015260668_100011217111 [0,2,0,0,0,0|1,0,1]=4 1494 B12R1.69 O=CCSc1ccc(cc1Br)O 62a_100000701344_200015260668 [0,2,0,0,0,0|1,0,1]=4 1495 B12R1.69 O=CCSc1ccc(cc1Br)O 62a_200015260668_100000701344 [0,2,0,0,0,0|1,0,1]=4 1496 B12R1.69 O=CCSc1ccc(cc1Cl)Br 62a_100011216062_200015260668 [0,2,0,0,0,0|1,0,1]=4 1497 B12R1.69 O=CCSc1ccc(cc1Cl)Br 62a_200015260668_100011216062 [0,2,0,0,0,0|1,0,1]=4 1498 B12R1.69 O=CCSc1ccc(cc1Cl)Cl 62a_100000699841_200015260668 [0,2,0,0,0,0|1,0,1]=4 1499 B12R1.69 O=CCSc1ccc(cc1Cl)Cl 62a_200015260668_100000699841 [0,2,0,0,0,0|1,0,1]=4 1500 B12R1.69 O=CCSc1ccc(cc1Cl)F 62a_100000733362_200015260668 [0,2,0,0,0,0|1,0,1]=4 1501 B12R1.69 O=CCSc1ccc(cc1Cl)F 62a_200015260668_100000733362 [0,2,0,0,0,0|1,0,1]=4 1502 B12R1.69 O=CCSc1ccc(cc1Cl)O 62a_100000047559_200015260668 [0,2,0,0,0,0|1,0,1]=4 1503 B12R1.69 O=CCSc1ccc(cc1Cl)O 62a_200015260668_100000047559 [0,2,0,0,0,0|1,0,1]=4 1504 B12R1.69 O=CCSc1ccc(cc1F)Br 62a_100009814013_200015260668 [0,2,0,0,0,0|1,0,1]=4 1505 B12R1.69 O=CCSc1ccc(cc1F)Br 62a_200015260668_100009814013 [0,2,0,0,0,0|1,0,1]=4 1506 B12R1.69 O=CCSc1ccc(cc1F)Cl 62a_100011216042_200015260668 [0,2,0,0,0,0|1,0,1]=4 1507 B12R1.69 O=CCSc1ccc(cc1F)Cl 62a_200015260668_100011216042 [0,2,0,0,0,0|1,0,1]=4 1508 B12R1.69 O=CCSc1ccc(cc1F)F 62a_100000750030_200015260668 [0,2,0,0,0,0|1,0,1]=4 1509 B12R1.69 O=CCSc1ccc(cc1F)F 62a_200015260668_100000750030 [0,2,0,0,0,0|1,0,1]=4 1510 B12R1.69 O=CCSc1ccc(cc1F)O 62a_100000755031_200015260668 [0,2,0,0,0,0|1,0,1]=4 1511 B12R1.69 O=CCSc1ccc(cc1F)O 62a_200015260668_100000755031 [0,2,0,0,0,0|1,0,1]=4 1512 B12R1.69 O=CCSc1ccc(cc1O)Br 62a_100012344904_200015260668 [0,2,0,0,0,0|1,0,1]=4 1513 B12R1.69 O=CCSc1ccc(cc1O)Br 62a_200015260668_100012344904 [0,2,0,0,0,0|1,0,1]=4 1514 B12R1.69 O=CCSc1ccc(cc1O)Cl 62a_100000050036_200015260668 [0,2,0,0,0,0|1,0,1]=4 1515 B12R1.69 O=CCSc1ccc(cc1O)Cl 62a_200015260668_100000050036 [0,2,0,0,0,0|1,0,1]=4 1516 B12R1.69 O=CCSc1ccc(cc1O)F 62a_100000690578_200015260668 [0,2,0,0,0,0|1,0,1]=4 1517 B12R1.69 O=CCSc1ccc(cc1O)F 62a_200015260668_100000690578 [0,2,0,0,0,0|1,0,1]=4 1518 B12R1.69 O=CCSc1ccc(cc1O)O 62a_200015260668_100009813921 [0,2,0,0,0,0|1,0,1]=4 1519 B12R1.71 C#Cc1ccc(cc1)NCC=O 34a_100011215031_200009817547 [0,2,0,0,0,0|1,0,1]=4 1520 B12R1.71 C=Cc1ccc(cc1)C=COC 271570a_100011290941_100020630460 [0,2,0,0,0,0|2,0,0]=4 1521 B12R1.71 C=Cc1ccc(cc1)CCC=O 271570a_100011290941_100011361538 [0,2,0,0,0,0|0,0,2]=4 1522 B12R1.71 C=Cc1ccc(cc1)NCC=O 34a_100011218248_200009817547 [0,2,0,0,0,0|1,0,1]=4 1523 B12R1.71 C=Cc1ccc(cc1)OCC=O 34a_100000189437_200009817547 [0,2,0,0,0,0|1,0,1]=4 1524 B12R1.71 C=Cc1ccc(cc1)OCC=O 7a_100000189437_200015260668 [0,2,0,0,0,0|1,0,1]=4 1525 B12R1.71 C=Cc1ccc(cc1)SCC=O 62a_100000748128_200015260668 [0,2,0,0,0,0|1,0,1]=4 1526 B12R1.71 C=Cc1ccc(cc1)SCC=O 62a_200015260668_100000748128 [0,2,0,0,0,0|1,0,1]=4 1527 B12R1.71 CCc1ccc(cc1)NCC=O 2230a_100000211069_200015260668 [0,2,0,0,0,0|1,0,1]=4 1528 B12R1.71 CCc1ccc(cc1)NCC=O 34a_100000211069_200009817547 [0,2,0,0,0,0|1,0,1]=4 1529 B12R1.71 CCc1ccc(cc1)OCC=O 34a_100000211359_200009817547 [0,2,0,0,0,0|1,0,1]=4 1530 B12R1.71 CCc1ccc(cc1)OCC=O 7a_100000211359_200015260668 [0,2,0,0,0,0|1,0,1]=4 1531 B12R1.71 CCc1ccc(cc1)SCC=O 62a_100011215824_200015260668 [0,2,0,0,0,0|1,0,1]=4 1532 B12R1.71 CCc1ccc(cc1)SCC=O 62a_200015260668_100011215824 [0,2,0,0,0,0|1,0,1]=4 1533 B12R1.71 CNc1ccc(cc1)OCC=O 34a_100000182112_200009817547 [0,2,0,0,0,0|1,0,1]=4 1534 B12R1.71 CNc1ccc(cc1)SCC=O 62a_100000743151_200015260668 [0,2,0,0,0,0|1,0,1]=4 1535 B12R1.71 CNc1ccc(cc1)SCC=O 62a_200015260668_100000743151 [0,2,0,0,0,0|1,0,1]=4 1536 B12R1.71 COC=Cc1ccc(cc1)SC 62a_100020630460_200000210301 [0,2,0,0,0,0|2,0,0]=4 1537 B12R1.71 COC=Cc1ccc(cc1)SC 62a_200000210301_100020630460 [0,2,0,0,0,0|2,0,0]=4 1538 B12R1.71 COC=Cc1ccc(cc1)S[13CH3] 62a_100020630460_200025704644 [0,2,0,0,0,0|2,0,0]=4 1539 B12R1.71 COC=Cc1ccc(cc1)S[13CH3] 62a_200025704644_100020630460 [0,2,0,0,0,0|2,0,0]=4 1540 B12R1.71 COc1ccc(cc1)NCC=O 34a_100000184247_200009817547 [0,2,0,0,0,0|1,0,1]=4 1541 B12R1.71 COc1ccc(cc1)OCC=O 34a_100000210503_200009817547 [0,2,0,0,0,0|1,0,1]=4 1542 B12R1.71 COc1ccc(cc1)SCC=O 62a_200015260668_100000171711 [0,2,0,0,0,0|1,0,1]=4 1543 B12R1.71 CSc1ccc(cc1)/C=C/C=O 62a_100016291818_200000210301 [0,2,0,0,0,0|0,0,0]=2 1544 B12R1.71 CSc1ccc(cc1)/C=C/C=O 62a_200000210301_100016291818 [0,2,0,0,0,0|0,0,0]=2 1545 B12R1.71 CSc1ccc(cc1)CCC=O 62a_100011361538_200000210301 [0,2,0,0,0,0|0,0,2]=4 1546 B12R1.71 CSc1ccc(cc1)CCC=O 62a_200000210301_100011361538 [0,2,0,0,0,0|0,0,2]=4 1547 B12R1.71 CSc1ccc(cc1)NCC=O 34a_100000212337_200009817547 [0,2,0,0,0,0|1,0,1]=4 1548 B12R1.71 CSc1ccc(cc1)OCC=O 34a_100000211864_200009817547 [0,2,0,0,0,0|1,0,1]=4 1549 B12R1.71 CSc1ccc(cc1)SCC=O 62a_100011263217_200015260668 [0,2,0,0,0,0|1,0,1]=4 1550 B12R1.71 CSc1ccc(cc1)SCC=O 62a_200015260668_100011263217 [0,2,0,0,0,0|1,0,1]=4 1551 B12R1.71 N#Cc1ccc(cc1)NCC=O 34a_100000185469_200009817547 [0,2,0,0,0,0|1,0,1]=4 1552 B12R1.71 N#Cc1ccc(cc1)OCC=O 34a_100000210344_200009817547 [0,2,0,0,0,0|1,0,1]=4 1553 B12R1.71 N#Cc1ccc(cc1)OCC=O 7a_100000210344_200015260668 [0,2,0,0,0,0|1,0,1]=4 1554 B12R1.71 N#Cc1ccc(cc1)SCC=O 62a_200015260668_100000184291 [0,2,0,0,0,0|1,0,1]=4 1555 B12R1.71 NCc1ccc(cc1)OCC=O 34a_100000185549_200009817547 [0,2,0,0,0,0|1,0,1]=4 1556 B12R1.71 NCc1ccc(cc1)SCC=O 62a_100016989417_200015260668 [0,2,0,0,0,0|1,0,1]=4 1557 B12R1.71 NCc1ccc(cc1)SCC=O 62a_200015260668_100016989417 [0,2,0,0,0,0|1,0,1]=4 1558 B12R1.71 NNc1ccc(cc1)SCC=O 62a_100016988836_200015260668 [0,2,0,0,0,0|1,0,1]=4 1559 B12R1.71 NNc1ccc(cc1)SCC=O 62a_200015260668_100016988836 [0,2,0,0,0,0|1,0,1]=4 1560 B12R1.71 O=CCNc1ccc(cc1)CO 2230a_100011215238_200015260668 [0,2,0,0,0,0|1,0,1]=4 1561 B12R1.71 O=CCNc1ccc(cc1)CO 34a_100011215238_200009817547 [0,2,0,0,0,0|1,0,1]=4 1562 B12R1.71 O=CCOc1ccc(cc1)CO 34a_100000211755_200009817547 [0,2,0,0,0,0|1,0,1]=4 1563 B12R1.71 O=CCSc1ccc(cc1)C=O 62a_100000188517_200015260668 [0,2,0,0,0,0|1,0,1]=4 1564 B12R1.71 O=CCSc1ccc(cc1)C=O 62a_200015260668_100000188517 [0,2,0,0,0,0|1,0,1]=4 1565 B12R1.71 O=CCSc1ccc(cc1)CF 62a_100010268989_200015260668 [0,2,0,0,0,0|1,0,1]=4 1566 B12R1.71 O=CCSc1ccc(cc1)CF 62a_200015260668_100010268989 [0,2,0,0,0,0|1,0,1]=4 1567 B12R1.71 O=CCSc1ccc(cc1)CO 62a_100000690907_200015260668 [0,2,0,0,0,0|1,0,1]=4 1568 B12R1.71 O=CCSc1ccc(cc1)CO 62a_200015260668_100000690907 [0,2,0,0,0,0|1,0,1]=4 1569 B12R1.71 [13CH3]Sc1ccc(cc1)/C=C/C=O 62a_100016291818_200025704644 [0,2,0,0,0,0|0,0,0]=2 1570 B12R1.71 [13CH3]Sc1ccc(cc1)/C=C/C=O 62a_200025704644_100016291818 [0,2,0,0,0,0|0,0,0]=2 1571 B12R1.71 [13CH3]Sc1ccc(cc1)CCC=O 62a_100011361538_200025704644 [0,2,0,0,0,0|0,0,2]=4 1572 B12R1.71 [13CH3]Sc1ccc(cc1)CCC=O 62a_200025704644_100011361538 [0,2,0,0,0,0|0,0,2]=4 1573 B12R1.385 Cc1cc(ccc1Br)NCC=O 2230a_100000210723_200015260668 [0,2,0,0,0,0|1,0,1]=4 1574 B12R1.385 Cc1cc(ccc1Br)NCC=O 34a_100000210723_200009817547 [0,2,0,0,0,0|1,0,1]=4 1575 B12R1.385 Cc1cc(ccc1Br)NCC=O 7a_100000210723_200015260668 [0,2,0,0,0,0|1,0,1]=4 1576 B12R1.385 Cc1cc(ccc1Br)OCC=O 34a_100000690111_200009817547 [0,2,0,0,0,0|1,0,1]=4 1577 B12R1.385 Cc1cc(ccc1Br)OCC=O 7a_100000690111_200015260668 [0,2,0,0,0,0|1,0,1]=4 1578 B12R1.385 Cc1cc(ccc1Br)SCC=O 62a_100009813585_200015260668 [0,2,0,0,0,0|1,0,1]=4 1579 B12R1.385 Cc1cc(ccc1Br)SCC=O 62a_200015260668_100009813585 [0,2,0,0,0,0|1,0,1]=4 1580 B12R1.385 Cc1cc(ccc1Cl)NCC=O 2230a_100000187808_200015260668 [0,2,0,0,0,0|1,0,1]=4 1581 B12R1.385 Cc1cc(ccc1Cl)NCC=O 34a_100000187808_200009817547 [0,2,0,0,0,0|1,0,1]=4 1582 B12R1.385 Cc1cc(ccc1Cl)NCC=O 7a_100000187808_200015260668 [0,2,0,0,0,0|1,0,1]=4 1583 B12R1.385 Cc1cc(ccc1Cl)OCC=O 34a_100000211092_200009817547 [0,2,0,0,0,0|1,0,1]=4 1584 B12R1.385 Cc1cc(ccc1Cl)OCC=O 7a_100000211092_200015260668 [0,2,0,0,0,0|1,0,1]=4 1585 B12R1.385 Cc1cc(ccc1Cl)SCC=O 62a_100000049509_200015260668 [0,2,0,0,0,0|1,0,1]=4 1586 B12R1.385 Cc1cc(ccc1Cl)SCC=O 62a_200015260668_100000049509 [0,2,0,0,0,0|1,0,1]=4 1587 B12R1.385 Cc1cc(ccc1F)NCC=O 2230a_100000750164_200015260668 [0,2,0,0,0,0|1,0,1]=4 1588 B12R1.385 Cc1cc(ccc1F)NCC=O 34a_100000750164_200009817547 [0,2,0,0,0,0|1,0,1]=4 1589 B12R1.385 Cc1cc(ccc1F)NCC=O 7a_100000750164_200015260668 [0,2,0,0,0,0|1,0,1]=4 1590 B12R1.385 Cc1cc(ccc1F)OCC=O 34a_100000751312_200009817547 [0,2,0,0,0,0|1,0,1]=4 1591 B12R1.385 Cc1cc(ccc1F)OCC=O 7a_100000751312_200015260668 [0,2,0,0,0,0|1,0,1]=4 1592 B12R1.385 Cc1cc(ccc1F)SCC=O 62a_100011218330_200015260668 [0,2,0,0,0,0|1,0,1]=4 1593 B12R1.385 Cc1cc(ccc1F)SCC=O 62a_200015260668_100011218330 [0,2,0,0,0,0|1,0,1]=4 1594 B12R1.385 Cc1cc(ccc1I)NCC=O 34a_100000198070_200009817547 [0,2,0,0,0,0|1,0,1]=4 1595 B12R1.385 Cc1cc(ccc1I)NCC=O 7a_100000198070_200015260668 [0,2,0,0,0,0|1,0,1]=4 1596 B12R1.385 Cc1cc(ccc1I)OCC=O 34a_100000729255_200009817547 [0,2,0,0,0,0|1,0,1]=4 1597 B12R1.385 Cc1cc(ccc1I)OCC=O 7a_100000729255_200015260668 [0,2,0,0,0,0|1,0,1]=4 1598 B12R1.385 Cc1cc(ccc1N)OCC=O 34a_100000756630_200009817547 [0,2,0,0,0,0|1,0,1]=4 1599 B12R1.385 Cc1cc(ccc1N)OCC=O 7a_100000756630_200015260668 [0,2,0,0,0,0|1,0,1]=4 1600 B12R1.385 Cc1cc(ccc1N)SCC=O 62a_100000211769_200015260668 [0,2,0,0,0,0|1,0,1]=4 1601 B12R1.385 Cc1cc(ccc1N)SCC=O 62a_200015260668_100000211769 [0,2,0,0,0,0|1,0,1]=4 1602 B12R1.385 Cc1cc(ccc1O)NCC=O 34a_100011218179_200009817547 [0,2,0,0,0,0|1,0,1]=4 1603 B12R1.385 Cc1cc(ccc1O)NCC=O 7a_100011218179_200015260668 [0,2,0,0,0,0|1,0,1]=4 1604 B12R1.385 Cc1cc(ccc1O)SCC=O 62a_200015260668_100000186361 [0,2,0,0,0,0|1,0,1]=4 1605 B12R1.385 Cc1ccc(cc1Br)NCC=O 2230a_100000736455_200015260668 [0,2,0,0,0,0|1,0,1]=4 1606 B12R1.385 Cc1ccc(cc1Br)NCC=O 34a_100000736455_200009817547 [0,2,0,0,0,0|1,0,1]=4 1607 B12R1.385 Cc1ccc(cc1Br)NCC=O 7a_100000736455_200015260668 [0,2,0,0,0,0|1,0,1]=4 1608 B12R1.385 Cc1ccc(cc1Br)OCC=O 34a_100011380479_200009817547 [0,2,0,0,0,0|1,0,1]=4 1609 B12R1.385 Cc1ccc(cc1Br)OCC=O 7a_100011380479_200015260668 [0,2,0,0,0,0|1,0,1]=4 1610 B12R1.385 Cc1ccc(cc1Br)SCC=O 62a_100011847877_200015260668 [0,2,0,0,0,0|1,0,1]=4 1611 B12R1.385 Cc1ccc(cc1Br)SCC=O 62a_200015260668_100011847877 [0,2,0,0,0,0|1,0,1]=4 1612 B12R1.385 Cc1ccc(cc1C)NCC=O 2230a_100000724040_200015260668 [0,2,0,0,0,0|1,0,1]=4 1613 B12R1.385 Cc1ccc(cc1C)NCC=O 34a_100000724040_200009817547 [0,2,0,0,0,0|1,0,1]=4 1614 B12R1.385 Cc1ccc(cc1C)NCC=O 7a_100000724040_200015260668 [0,2,0,0,0,0|1,0,1]=4 1615 B12R1.385 Cc1ccc(cc1C)OCC=O 34a_100000210932_200009817547 [0,2,0,0,0,0|1,0,1]=4 1616 B12R1.385 Cc1ccc(cc1C)OCC=O 7a_100000210932_200015260668 [0,2,0,0,0,0|1,0,1]=4 1617 B12R1.385 Cc1ccc(cc1C)SCC=O 62a_100011215607_200015260668 [0,2,0,0,0,0|1,0,1]=4 1618 B12R1.385 Cc1ccc(cc1C)SCC=O 62a_200015260668_100011215607 [0,2,0,0,0,0|1,0,1]=4 1619 B12R1.385 Cc1ccc(cc1Cl)NCC=O 2230a_100000188892_200015260668 [0,2,0,0,0,0|1,0,1]=4 1620 B12R1.385 Cc1ccc(cc1Cl)NCC=O 34a_100000188892_200009817547 [0,2,0,0,0,0|1,0,1]=4 1621 B12R1.385 Cc1ccc(cc1Cl)NCC=O 7a_100000188892_200015260668 [0,2,0,0,0,0|1,0,1]=4 1622 B12R1.385 Cc1ccc(cc1Cl)OCC=O 34a_100011265682_200009817547 [0,2,0,0,0,0|1,0,1]=4 1623 B12R1.385 Cc1ccc(cc1Cl)OCC=O 7a_100011265682_200015260668 [0,2,0,0,0,0|1,0,1]=4 1624 B12R1.385 Cc1ccc(cc1Cl)SCC=O 62a_100011216363_200015260668 [0,2,0,0,0,0|1,0,1]=4 1625 B12R1.385 Cc1ccc(cc1Cl)SCC=O 62a_200015260668_100011216363 [0,2,0,0,0,0|1,0,1]=4 1626 B12R1.385 Cc1ccc(cc1F)NCC=O 2230a_100000210958_200015260668 [0,2,0,0,0,0|1,0,1]=4 1627 B12R1.385 Cc1ccc(cc1F)NCC=O 34a_100000210958_200009817547 [0,2,0,0,0,0|1,0,1]=4 1628 B12R1.385 Cc1ccc(cc1F)NCC=O 7a_100000210958_200015260668 [0,2,0,0,0,0|1,0,1]=4 1629 B12R1.385 Cc1ccc(cc1F)OCC=O 34a_100000722560_200009817547 [0,2,0,0,0,0|1,0,1]=4 1630 B12R1.385 Cc1ccc(cc1F)OCC=O 7a_100000722560_200015260668 [0,2,0,0,0,0|1,0,1]=4 1631 B12R1.385 Cc1ccc(cc1F)SCC=O 62a_100000720648_200015260668 [0,2,0,0,0,0|1,0,1]=4 1632 B12R1.385 Cc1ccc(cc1F)SCC=O 62a_200015260668_100000720648 [0,2,0,0,0,0|1,0,1]=4 1633 B12R1.385 Cc1ccc(cc1I)NCC=O 34a_100000184131_200009817547 [0,2,0,0,0,0|1,0,1]=4 1634 B12R1.385 Cc1ccc(cc1I)NCC=O 7a_100000184131_200015260668 [0,2,0,0,0,0|1,0,1]=4 1635 B12R1.385 Cc1ccc(cc1N)OCC=O 34a_100011216113_200009817547 [0,2,0,0,0,0|1,0,1]=4 1636 B12R1.385 Cc1ccc(cc1N)OCC=O 7a_100011216113_200015260668 [0,2,0,0,0,0|1,0,1]=4 1637 B12R1.385 Cc1ccc(cc1N)SCC=O 62a_100000761890_200015260668 [0,2,0,0,0,0|1,0,1]=4 1638 B12R1.385 Cc1ccc(cc1N)SCC=O 62a_200015260668_100000761890 [0,2,0,0,0,0|1,0,1]=4 1639 B12R1.385 Cc1ccc(cc1O)NCC=O 34a_100000759471_200009817547 [0,2,0,0,0,0|1,0,1]=4 1640 B12R1.385 Cc1ccc(cc1O)NCC=O 7a_100000759471_200015260668 [0,2,0,0,0,0|1,0,1]=4 1641 B12R1.385 Cc1ccc(cc1O)SCC=O 62a_100000685420_200015260668 [0,2,0,0,0,0|1,0,1]=4 1642 B12R1.385 Cc1ccc(cc1O)SCC=O 62a_200015260668_100000685420 [0,2,0,0,0,0|1,0,1]=4 1643 B12R1.385 Nc1cc(ccc1Br)OCC=O 34a_100011999798_200009817547 [0,2,0,0,0,0|1,0,1]=4 1644 B12R1.385 Nc1cc(ccc1Br)OCC=O 7a_100011999798_200015260668 [0,2,0,0,0,0|1,0,1]=4 1645 B12R1.385 Nc1cc(ccc1Br)SCC=O 62a_100000750456_200015260668 [0,2,0,0,0,0|1,0,1]=4 1646 B12R1.385 Nc1cc(ccc1Br)SCC=O 62a_200015260668_100000750456 [0,2,0,0,0,0|1,0,1]=4 1647 B12R1.385 Nc1cc(ccc1Cl)OCC=O 34a_100011934297_200009817547 [0,2,0,0,0,0|1,0,1]=4 1648 B12R1.385 Nc1cc(ccc1Cl)SCC=O 62a_200000761891_200015260668 [0,2,0,0,0,0|1,0,1]=4 1649 B12R1.385 Nc1cc(ccc1Cl)SCC=O 62a_200015260668_200000761891 [0,2,0,0,0,0|1,0,1]=4 1650 B12R1.385 Nc1cc(ccc1F)OCC=O 34a_100012017239_200009817547 [0,2,0,0,0,0|1,0,1]=4 1651 B12R1.385 Nc1cc(ccc1F)OCC=O 7a_100012017239_200015260668 [0,2,0,0,0,0|1,0,1]=4 1652 B12R1.385 Nc1cc(ccc1F)SCC=O 62a_100000740924_200015260668 [0,2,0,0,0,0|1,0,1]=4 1653 B12R1.385 Nc1cc(ccc1F)SCC=O 62a_200015260668_100000740924 [0,2,0,0,0,0|1,0,1]=4 1654 B12R1.385 Nc1cc(ccc1O)SCC=O 62a_100000752626_200015260668 [0,2,0,0,0,0|1,0,1]=4 1655 B12R1.385 Nc1cc(ccc1O)SCC=O 62a_200015260668_100000752626 [0,2,0,0,0,0|1,0,1]=4 1656 B12R1.385 Nc1ccc(cc1Br)OCC=O 34a_100012001276_200009817547 [0,2,0,0,0,0|1,0,1]=4 1657 B12R1.385 Nc1ccc(cc1Br)OCC=O 7a_100012001276_200015260668 [0,2,0,0,0,0|1,0,1]=4 1658 B12R1.385 Nc1ccc(cc1Br)SCC=O 62a_100000750455_200015260668 [0,2,0,0,0,0|1,0,1]=4 1659 B12R1.385 Nc1ccc(cc1Br)SCC=O 62a_200015260668_100000750455 [0,2,0,0,0,0|1,0,1]=4 1660 B12R1.385 Nc1ccc(cc1Cl)OCC=O 34a_100011215599_200009817547 [0,2,0,0,0,0|1,0,1]=4 1661 B12R1.385 Nc1ccc(cc1Cl)OCC=O 7a_100011215599_200015260668 [0,2,0,0,0,0|1,0,1]=4 1662 B12R1.385 Nc1ccc(cc1Cl)SCC=O 62a_100011218065_200015260668 [0,2,0,0,0,0|1,0,1]=4 1663 B12R1.385 Nc1ccc(cc1Cl)SCC=O 62a_200015260668_100011218065 [0,2,0,0,0,0|1,0,1]=4 1664 B12R1.385 Nc1ccc(cc1F)OCC=O 34a_100000759473_200009817547 [0,2,0,0,0,0|1,0,1]=4 1665 B12R1.385 Nc1ccc(cc1F)OCC=O 7a_100000759473_200015260668 [0,2,0,0,0,0|1,0,1]=4 1666 B12R1.385 Nc1ccc(cc1F)SCC=O 62a_100011215594_200015260668 [0,2,0,0,0,0|1,0,1]=4 1667 B12R1.385 Nc1ccc(cc1F)SCC=O 62a_200015260668_100011215594 [0,2,0,0,0,0|1,0,1]=4 1668 B12R1.385 Nc1ccc(cc1I)OCC=O 34a_100010084370_200009817547 [0,2,0,0,0,0|1,0,1]=4 1669 B12R1.385 Nc1ccc(cc1I)OCC=O 7a_100010084370_200015260668 [0,2,0,0,0,0|1,0,1]=4 1670 B12R1.385 Nc1ccc(cc1N)OCC=O 34a_100025771000_200009817547 [0,2,0,0,0,0|1,0,1]=4 1671 B12R1.385 Nc1ccc(cc1N)SCC=O 62a_100000741789_200015260668 [0,2,0,0,0,0|1,0,1]=4 1672 B12R1.385 Nc1ccc(cc1N)SCC=O 62a_200015260668_100011534411 [0,2,0,0,0,0|1,0,1]=4 1673 B12R1.385 Nc1ccc(cc1O)SCC=O 62a_100000739049_200015260668 [0,2,0,0,0,0|1,0,1]=4 1674 B12R1.385 Nc1ccc(cc1O)SCC=O 62a_200015260668_100000739049 [0,2,0,0,0,0|1,0,1]=4 1675 B12R1.385 O=CCNc1ccc(c(c1)Br)Br 2230a_100011306057_200015260668 [0,2,0,0,0,0|1,0,1]=4 1676 B12R1.385 O=CCNc1ccc(c(c1)Br)Br 34a_100011306057_200009817547 [0,2,0,0,0,0|1,0,1]=4 1677 B12R1.385 O=CCNc1ccc(c(c1)Br)Br 7a_100011306057_200015260668 [0,2,0,0,0,0|1,0,1]=4 1678 B12R1.385 O=CCNc1ccc(c(c1)Br)Cl 2230a_100000686031_200015260668 [0,2,0,0,0,0|1,0,1]=4 1679 B12R1.385 O=CCNc1ccc(c(c1)Br)Cl 34a_100000686031_200009817547 [0,2,0,0,0,0|1,0,1]=4 1680 B12R1.385 O=CCNc1ccc(c(c1)Br)F 2230a_100000760356_200015260668 [0,2,0,0,0,0|1,0,1]=4 1681 B12R1.385 O=CCNc1ccc(c(c1)Br)F 34a_100000760356_200009817547 [0,2,0,0,0,0|1,0,1]=4 1682 B12R1.385 O=CCNc1ccc(c(c1)Br)F 7a_100000760356_200015260668 [0,2,0,0,0,0|1,0,1]=4 1683 B12R1.385 O=CCNc1ccc(c(c1)Br)I 34a_100000750458_200009817547 [0,2,0,0,0,0|1,0,1]=4 1684 B12R1.385 O=CCNc1ccc(c(c1)Br)O 34a_100011534360_200009817547 [0,2,0,0,0,0|1,0,1]=4 1685 B12R1.385 O=CCNc1ccc(c(c1)Cl)Br 2230a_100000687081_200015260668 [0,2,0,0,0,0|1,0,1]=4 1686 B12R1.385 O=CCNc1ccc(c(c1)Cl)Br 34a_100000687081_200009817547 [0,2,0,0,0,0|1,0,1]=4 1687 B12R1.385 O=CCNc1ccc(c(c1)Cl)Br 7a_100000687081_200015260668 [0,2,0,0,0,0|1,0,1]=4 1688 B12R1.385 O=CCNc1ccc(c(c1)Cl)Cl 2230a_100000184108_200015260668 [0,2,0,0,0,0|1,0,1]=4 1689 B12R1.385 O=CCNc1ccc(c(c1)Cl)Cl 34a_100000184108_200009817547 [0,2,0,0,0,0|1,0,1]=4 1690 B12R1.385 O=CCNc1ccc(c(c1)Cl)F 2230a_100000211060_200015260668 [0,2,0,0,0,0|1,0,1]=4 1691 B12R1.385 O=CCNc1ccc(c(c1)Cl)F 34a_100000211060_200009817547 [0,2,0,0,0,0|1,0,1]=4 1692 B12R1.385 O=CCNc1ccc(c(c1)Cl)F 7a_100000211060_200015260668 [0,2,0,0,0,0|1,0,1]=4 1693 B12R1.385 O=CCNc1ccc(c(c1)Cl)I 34a_100000761885_200009817547 [0,2,0,0,0,0|1,0,1]=4 1694 B12R1.385 O=CCNc1ccc(c(c1)Cl)O 34a_100000744943_200009817547 [0,2,0,0,0,0|1,0,1]=4 1695 B12R1.385 O=CCNc1ccc(c(c1)F)Br 2230a_100000759894_200015260668 [0,2,0,0,0,0|1,0,1]=4 1696 B12R1.385 O=CCNc1ccc(c(c1)F)Br 34a_100000759894_200009817547 [0,2,0,0,0,0|1,0,1]=4 1697 B12R1.385 O=CCNc1ccc(c(c1)F)Br 7a_100000759894_200015260668 [0,2,0,0,0,0|1,0,1]=4 1698 B12R1.385 O=CCNc1ccc(c(c1)F)Cl 2230a_100000739366_200015260668 [0,2,0,0,0,0|1,0,1]=4 1699 B12R1.385 O=CCNc1ccc(c(c1)F)Cl 34a_100000739366_200009817547 [0,2,0,0,0,0|1,0,1]=4 1700 B12R1.385 O=CCNc1ccc(c(c1)F)Cl 7a_100000739366_200015260668 [0,2,0,0,0,0|1,0,1]=4 1701 B12R1.385 O=CCNc1ccc(c(c1)F)F 2230a_100000210724_200015260668 [0,2,0,0,0,0|1,0,1]=4 1702 B12R1.385 O=CCNc1ccc(c(c1)F)F 34a_100000210724_200009817547 [0,2,0,0,0,0|1,0,1]=4 1703 B12R1.385 O=CCNc1ccc(c(c1)F)F 7a_100000210724_200015260668 [0,2,0,0,0,0|1,0,1]=4 1704 B12R1.385 O=CCNc1ccc(c(c1)F)I 34a_100011356925_200009817547 [0,2,0,0,0,0|1,0,1]=4 1705 B12R1.385 O=CCNc1ccc(c(c1)F)I 7a_100011356925_200015260668 [0,2,0,0,0,0|1,0,1]=4 1706 B12R1.385 O=CCNc1ccc(c(c1)F)O 34a_100011220035_200009817547 [0,2,0,0,0,0|1,0,1]=4 1707 B12R1.385 O=CCNc1ccc(c(c1)F)O 7a_100011220035_200015260668 [0,2,0,0,0,0|1,0,1]=4 1708 B12R1.385 O=CCNc1ccc(c(c1)I)Br 34a_100000750459_200009817547 [0,2,0,0,0,0|1,0,1]=4 1709 B12R1.385 O=CCNc1ccc(c(c1)I)Cl 34a_100012360549_200009817547 [0,2,0,0,0,0|1,0,1]=4 1710 B12R1.385 O=CCNc1ccc(c(c1)I)F 34a_114828291077_200009817547 [0,2,0,0,0,0|1,0,1]=4 1711 B12R1.385 O=CCNc1ccc(c(c1)I)F 7a_114828291077_200015260668 [0,2,0,0,0,0|1,0,1]=4 1712 B12R1.385 O=CCNc1ccc(c(c1)O)Cl 34a_100011934209_200009817547 [0,2,0,0,0,0|1,0,1]=4 1713 B12R1.385 O=CCNc1ccc(c(c1)O)F 34a_100012017398_200009817547 [0,2,0,0,0,0|1,0,1]=4 1714 B12R1.385 O=CCNc1ccc(c(c1)O)F 7a_100012017398_200015260668 [0,2,0,0,0,0|1,0,1]=4 1715 B12R1.385 O=CCNc1ccc(c(c1)O)O 34a_100102946323_200009817547 [0,2,0,0,0,0|1,0,1]=4 1716 B12R1.385 O=CCOc1ccc(c(c1)Br)Cl 34a_100011933957_200009817547 [0,2,0,0,0,0|1,0,1]=4 1717 B12R1.385 O=CCOc1ccc(c(c1)Br)Cl 7a_100011933957_200015260668 [0,2,0,0,0,0|1,0,1]=4 1718 B12R1.385 O=CCOc1ccc(c(c1)Br)F 34a_100000693481_200009817547 [0,2,0,0,0,0|1,0,1]=4 1719 B12R1.385 O=CCOc1ccc(c(c1)Br)F 7a_100000693481_200015260668 [0,2,0,0,0,0|1,0,1]=4 1720 B12R1.385 O=CCOc1ccc(c(c1)Br)I 34a_100000701344_200009817547 [0,2,0,0,0,0|1,0,1]=4 1721 B12R1.385 O=CCOc1ccc(c(c1)Br)I 7a_100000701344_200015260668 [0,2,0,0,0,0|1,0,1]=4 1722 B12R1.385 O=CCOc1ccc(c(c1)Cl)Br 34a_100011215161_200009817547 [0,2,0,0,0,0|1,0,1]=4 1723 B12R1.385 O=CCOc1ccc(c(c1)Cl)Br 7a_100011215161_200015260668 [0,2,0,0,0,0|1,0,1]=4 1724 B12R1.385 O=CCOc1ccc(c(c1)Cl)Cl 34a_100000211054_200009817547 [0,2,0,0,0,0|1,0,1]=4 1725 B12R1.385 O=CCOc1ccc(c(c1)Cl)Cl 7a_100000211054_200015260668 [0,2,0,0,0,0|1,0,1]=4 1726 B12R1.385 O=CCOc1ccc(c(c1)Cl)F 34a_100000211030_200009817547 [0,2,0,0,0,0|1,0,1]=4 1727 B12R1.385 O=CCOc1ccc(c(c1)Cl)F 7a_100000211030_200015260668 [0,2,0,0,0,0|1,0,1]=4 1728 B12R1.385 O=CCOc1ccc(c(c1)Cl)I 34a_100000047559_200009817547 [0,2,0,0,0,0|1,0,1]=4 1729 B12R1.385 O=CCOc1ccc(c(c1)Cl)I 7a_100000047559_200015260668 [0,2,0,0,0,0|1,0,1]=4 1730 B12R1.385 O=CCOc1ccc(c(c1)F)Br 34a_100000755031_200009817547 [0,2,0,0,0,0|1,0,1]=4 1731 B12R1.385 O=CCOc1ccc(c(c1)F)Br 7a_100000755031_200015260668 [0,2,0,0,0,0|1,0,1]=4 1732 B12R1.385 O=CCOc1ccc(c(c1)F)Cl 34a_100000691581_200009817547 [0,2,0,0,0,0|1,0,1]=4 1733 B12R1.385 O=CCOc1ccc(c(c1)F)Cl 7a_100000691581_200015260668 [0,2,0,0,0,0|1,0,1]=4 1734 B12R1.385 O=CCOc1ccc(c(c1)F)F 34a_100000181275_200009817547 [0,2,0,0,0,0|1,0,1]=4 1735 B12R1.385 O=CCOc1ccc(c(c1)F)F 7a_100000181275_200015260668 [0,2,0,0,0,0|1,0,1]=4 1736 B12R1.385 O=CCOc1ccc(c(c1)F)I 34a_100009990212_200009817547 [0,2,0,0,0,0|1,0,1]=4 1737 B12R1.385 O=CCOc1ccc(c(c1)F)I 7a_100009990212_200015260668 [0,2,0,0,0,0|1,0,1]=4 1738 B12R1.385 O=CCOc1ccc(c(c1)I)Br 34a_100012339312_200009817547 [0,2,0,0,0,0|1,0,1]=4 1739 B12R1.385 O=CCOc1ccc(c(c1)I)Br 7a_100012339312_200015260668 [0,2,0,0,0,0|1,0,1]=4 1740 B12R1.385 O=CCOc1ccc(c(c1)I)Cl 34a_100000049588_200009817547 [0,2,0,0,0,0|1,0,1]=4 1741 B12R1.385 O=CCOc1ccc(c(c1)I)Cl 7a_100000049588_200015260668 [0,2,0,0,0,0|1,0,1]=4 1742 B12R1.385 O=CCSc1ccc(c(c1)Br)Br 62a_100012356285_200015260668 [0,2,0,0,0,0|1,0,1]=4 1743 B12R1.385 O=CCSc1ccc(c(c1)Br)Br 62a_200015260668_100012356285 [0,2,0,0,0,0|1,0,1]=4 1744 B12R1.385 O=CCSc1ccc(c(c1)Br)Cl 62a_100012353702_200015260668 [0,2,0,0,0,0|1,0,1]=4 1745 B12R1.385 O=CCSc1ccc(c(c1)Br)Cl 62a_200015260668_100012353702 [0,2,0,0,0,0|1,0,1]=4 1746 B12R1.385 O=CCSc1ccc(c(c1)Br)F 62a_100012047266_200015260668 [0,2,0,0,0,0|1,0,1]=4 1747 B12R1.385 O=CCSc1ccc(c(c1)Br)F 62a_200015260668_100012047266 [0,2,0,0,0,0|1,0,1]=4 1748 B12R1.385 O=CCSc1ccc(c(c1)Br)O 62a_100012361655_200015260668 [0,2,0,0,0,0|1,0,1]=4 1749 B12R1.385 O=CCSc1ccc(c(c1)Br)O 62a_200015260668_100012361655 [0,2,0,0,0,0|1,0,1]=4 1750 B12R1.385 O=CCSc1ccc(c(c1)Cl)Br 62a_100012047281_200015260668 [0,2,0,0,0,0|1,0,1]=4 1751 B12R1.385 O=CCSc1ccc(c(c1)Cl)Br 62a_200015260668_100012047281 [0,2,0,0,0,0|1,0,1]=4 1752 B12R1.385 O=CCSc1ccc(c(c1)Cl)Cl 62a_100011214914_200015260668 [0,2,0,0,0,0|1,0,1]=4 1753 B12R1.385 O=CCSc1ccc(c(c1)Cl)Cl 62a_200015260668_100011214914 [0,2,0,0,0,0|1,0,1]=4 1754 B12R1.385 O=CCSc1ccc(c(c1)Cl)F 62a_100011215976_200015260668 [0,2,0,0,0,0|1,0,1]=4 1755 B12R1.385 O=CCSc1ccc(c(c1)Cl)F 62a_200015260668_100011215976 [0,2,0,0,0,0|1,0,1]=4 1756 B12R1.385 O=CCSc1ccc(c(c1)Cl)O 62a_100012360047_200015260668 [0,2,0,0,0,0|1,0,1]=4 1757 B12R1.385 O=CCSc1ccc(c(c1)Cl)O 62a_200015260668_100012360047 [0,2,0,0,0,0|1,0,1]=4 1758 B12R1.385 O=CCSc1ccc(c(c1)F)Br 62a_100000685389_200015260668 [0,2,0,0,0,0|1,0,1]=4 1759 B12R1.385 O=CCSc1ccc(c(c1)F)Br 62a_200015260668_100000685389 [0,2,0,0,0,0|1,0,1]=4 1760 B12R1.385 O=CCSc1ccc(c(c1)F)Cl 62a_100011216805_200015260668 [0,2,0,0,0,0|1,0,1]=4 1761 B12R1.385 O=CCSc1ccc(c(c1)F)Cl 62a_200015260668_100011216805 [0,2,0,0,0,0|1,0,1]=4 1762 B12R1.385 O=CCSc1ccc(c(c1)F)F 62a_100000703953_200015260668 [0,2,0,0,0,0|1,0,1]=4 1763 B12R1.385 O=CCSc1ccc(c(c1)F)F 62a_200015260668_100000703953 [0,2,0,0,0,0|1,0,1]=4 1764 B12R1.385 O=CCSc1ccc(c(c1)F)O 62a_100000185481_200015260668 [0,2,0,0,0,0|1,0,1]=4 1765 B12R1.385 O=CCSc1ccc(c(c1)F)O 62a_200015260668_100000185481 [0,2,0,0,0,0|1,0,1]=4 1766 B12R1.385 O=CCSc1ccc(c(c1)O)Br 62a_100012356990_200015260668 [0,2,0,0,0,0|1,0,1]=4 1767 B12R1.385 O=CCSc1ccc(c(c1)O)Br 62a_200015260668_100012356990 [0,2,0,0,0,0|1,0,1]=4 1768 B12R1.385 O=CCSc1ccc(c(c1)O)Cl 62a_100011356854_200015260668 [0,2,0,0,0,0|1,0,1]=4 1769 B12R1.385 O=CCSc1ccc(c(c1)O)Cl 62a_200015260668_100011356854 [0,2,0,0,0,0|1,0,1]=4 1770 B12R1.385 O=CCSc1ccc(c(c1)O)F 62a_100000686035_200015260668 [0,2,0,0,0,0|1,0,1]=4 1771 B12R1.385 O=CCSc1ccc(c(c1)O)F 62a_200015260668_100000686035 [0,2,0,0,0,0|1,0,1]=4 1772 B12R1.385 O=CCSc1ccc(c(c1)O)O 62a_200015260668_100009813601 [0,2,0,0,0,0|1,0,1]=4 1773 B12R1.3 CCN(CC=O)c1ccccc1 2230a_100000210013_200015260668 [0,2,0,0,0,0|1,0,1]=4 1774 B12R1.3 CCN(CC=O)c1ccccc1 269982a_100000210013_200015260668 [0,2,0,0,0,0|1,0,1]=4 1775 B12R1.3 CCN(CC=O)c1ccccc1 34a_100000210013_200009817547 [0,2,0,0,0,0|1,0,1]=4 1776 B12R1.17 C=CCC(=O)c1cccc(c1)Br 1458a_100000210664_100000210623 [0,2,0,0,0,0|1,0,1]=4 1777 B12R1.17 C=CCC(=O)c1cccc(c1)C 1458a_100000189346_100000210623 [0,2,0,0,0,0|1,0,1]=4 1778 B12R1.17 C=CCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000210623 [0,2,0,0,0,0|1,0,1]=4 1779 B12R1.17 C=CCC(=O)c1cccc(c1)F 1458a_100000210950_100000210623 [0,2,0,0,0,0|1,0,1]=4 1780 B12R1.17 C=CCC(=O)c1cccc(c1)I 1458a_100000184098_100000210623 [0,2,0,0,0,0|1,0,1]=4 1781 B12R1.17 C=CCC(=O)c1cccc(c1)O 1458a_100000183914_100000210623 [0,2,0,0,0,0|1,0,1]=4 1782 B12R1.17 CN(CC=O)c1cccc(c1)Br 2230a_100000219648_200015260668 [0,2,0,0,0,0|1,0,1]=4 1783 B12R1.17 CN(CC=O)c1cccc(c1)Br 269982a_100000219648_200015260668 [0,2,0,0,0,0|1,0,1]=4 1784 B12R1.17 CN(CC=O)c1cccc(c1)Br 34a_100000219648_200009817547 [0,2,0,0,0,0|1,0,1]=4 1785 B12R1.17 CN(CC=O)c1cccc(c1)Cl 2230a_100000220044_200015260668 [0,2,0,0,0,0|1,0,1]=4 1786 B12R1.17 CN(CC=O)c1cccc(c1)Cl 269982a_100000220044_200015260668 [0,2,0,0,0,0|1,0,1]=4 1787 B12R1.17 CN(CC=O)c1cccc(c1)Cl 34a_100000220044_200009817547 [0,2,0,0,0,0|1,0,1]=4 1788 B12R1.17 CN(CC=O)c1cccc(c1)F 2230a_100020633736_200015260668 [0,2,0,0,0,0|1,0,1]=4 1789 B12R1.17 CN(CC=O)c1cccc(c1)F 269982a_100020633736_200015260668 [0,2,0,0,0,0|1,0,1]=4 1790 B12R1.17 CN(CC=O)c1cccc(c1)F 34a_100020633736_200009817547 [0,2,0,0,0,0|1,0,1]=4 1791 B12R1.17 CN(CC=O)c1cccc(c1)I 2230a_100000221217_200015260668 [0,2,0,0,0,0|1,0,1]=4 1792 B12R1.17 CN(CC=O)c1cccc(c1)I 269982a_100000221217_200015260668 [0,2,0,0,0,0|1,0,1]=4 1793 B12R1.17 CN(CC=O)c1cccc(c1)I 34a_100000221217_200009817547 [0,2,0,0,0,0|1,0,1]=4 1794 B12R1.17 CN(CC=O)c1cccc(c1)O 2230a_100000756613_200015260668 [0,2,0,0,0,0|1,0,1]=4 1795 B12R1.17 CN(CC=O)c1cccc(c1)O 269982a_100000756613_200015260668 [0,2,0,0,0,0|1,0,1]=4 1796 B12R1.17 CN(CC=O)c1cccc(c1)O 34a_100000756613_200009817547 [0,2,0,0,0,0|1,0,1]=4 1797 B12R1.17 Cc1cccc(c1)N(C)CC=O 2230a_100000219674_200015260668 [0,2,0,0,0,0|1,0,1]=4 1798 B12R1.17 Cc1cccc(c1)N(C)CC=O 269982a_100000219674_200015260668 [0,2,0,0,0,0|1,0,1]=4 1799 B12R1.17 Cc1cccc(c1)N(C)CC=O 34a_100000219674_200009817547 [0,2,0,0,0,0|1,0,1]=4 1800 B12R1.30 C/C=C/CC(=O)c1ccccc1 1458a_100000185807_100102629194 [0,2,0,0,0,0|1,0,0]=3 1801 B12R1.30 C/C=C/CN(C)c1ccccc1 269982a_100000210012_100102629194 [0,2,0,0,0,0|1,0,1]=4 1802 B12R1.30 C/C=C/CN(C)c1ccccc1 34a_100000210012_100102629194 [0,2,0,0,0,0|1,0,1]=4 1803 B12R1.30 C=CCCC(=O)c1ccccc1 1458a_100000185807_100000754431 [0,2,0,0,0,0|1,0,1]=4 1804 B12R1.30 C=CCNC(=O)c1ccccc1 1626a_100020586998_100000185807 [0,2,0,0,0,0|1,0,1]=4 1805 B12R1.30 C=CCNC(=O)c1ccccc1 240690a_100020586998_100000185807 [0,2,0,0,0,0|1,0,1]=4 1806 B12R1.30 C=CCNC(=O)c1ccccc1 527a_100020586998_100000185807 [0,2,0,0,0,0|1,0,1]=4 1807 B12R1.30 CC(SCC=O)c1ccccc1 62a_100000230085_200015260668 [0,2,0,0,0,0|0,0,2]=4 1808 B12R1.30 CC(SCC=O)c1ccccc1 62a_200015260668_100000230085 [0,2,0,0,0,0|0,0,2]=4 1809 B12R1.30 CC=CCC(=O)c1ccccc1 1458a_100000185807_100000070051 [0,2,0,0,0,0|1,0,0]=3 1810 B12R1.30 CC=CCN(C)c1ccccc1 2230a_100000210012_100000070051 [0,2,0,0,0,0|1,0,1]=4 1811 B12R1.30 CC=CCN(C)c1ccccc1 34a_100000210012_100000070051 [0,2,0,0,0,0|1,0,1]=4 1812 B12R1.30 CC=NNC(=O)c1ccccc1 4a_100000184135_200000210099 [0,2,0,0,0,0|2,0,0]=4 1813 B12R1.30 C[C@@H](NCC=O)c1ccccc1 2230a_100000751104_200015260668 [0,2,0,0,0,0|0,0,2]=4 1814 B12R1.30 C[C@@H](OCC=O)c1ccccc1 34a_100000761318_200009817547 [0,2,0,0,0,0|0,0,2]=4 1815 B12R1.30 C[C@@H](OCC=O)c1ccccc1 7a_100000761318_200015260668 [0,2,0,0,0,0|0,0,2]=4 1816 B12R1.34 C=C(C(=O)CC)c1ccccc1 1458a_100000065200_100000210202 [0,2,0,0,0,0|1,0,1]=4 1817 B12R1.34 C=C(C(=O)CF)c1ccccc1 1458a_100000065200_100015361967 [0,2,0,0,0,0|1,0,1]=4 1818 B12R1.34 C=C(C(=O)NC)c1ccccc1 1626a_100102657272_100000065200 [0,2,0,0,0,0|2,0,0]=4 1819 B12R1.34 C=CC(=O)C(C)c1ccccc1 1458a_100000185746_100000230085 [0,2,0,0,0,0|1,0,1]=4 1820 B12R1.34 C=CC(=O)N(C)c1ccccc1 1626a_100000210012_100000185746 [0,2,0,0,0,0|2,0,0]=4 1821 B12R1.34 C=CC(=O)N(C)c1ccccc1 22a_100000210012_100000185746 [0,2,0,0,0,0|2,0,0]=4 1822 B12R1.107 C=C(C)CC(=O)c1ccccc1 1458a_100000185807_100000748629 [0,2,0,0,0,0|1,0,1]=4 1823 B12R1.107 C=C(F)CC(=O)c1ccccc1 1458a_100000185807_100009893438 [0,2,0,0,0,0|1,0,1]=4 1824 B12R1.107 CC(=CC(=O)[13CH3])c1ccccc1 1458a_100000743005_200025704644 [0,2,0,0,0,0|0,0,0]=2 1825 B12R1.107 CC(=O)C=C(C)c1ccccc1 1458a_100000743005_200000210301 [0,2,0,0,0,0|0,0,0]=2 1826 B12R1.107 CC(=O)CC(=O)c1ccccc1 1458a_100000070787_100000211460 [0,2,0,0,0,0|0,0,1]=3 1827 B12R1.107 CC(=O)CC(=O)c1ccccn1 1458a_100000070787_100000027445 [0,2,0,0,0,0|1,0,1]=4 1828 B12R1.107 CC(=O)CC(=O)c1cccnc1 1458a_100000070787_100015188593 [0,2,0,0,0,0|1,0,1]=4 1829 B12R1.107 CC(=O)CC(=O)c1ccncc1 1458a_100000070787_100000027454 [0,2,0,0,0,0|1,0,1]=4 1830 B12R1.107 CC(=O)CC(C)c1ccccc1 1458a_100000070787_100000756946 [0,2,0,0,0,0|0,0,2]=4 1831 B12R1.107 CC(=O)CC(C)c1ccccc1 1458a_100000183687_200000210301 [0,2,0,0,0,0|0,0,2]=4 1832 B12R1.107 CC(=O)CC(O)c1ccccc1 1458a_100000070787_100000185958 [0,2,0,0,0,0|0,0,2]=4 1833 B12R1.107 CC(=O)CC(O)c1ccccc1 1458a_100000690199_200000210301 [0,2,0,0,0,0|0,0,2]=4 1834 B12R1.107 CC(=O)CN(C)c1ccccc1 1458a_100000745425_200000210301 [0,2,0,0,0,0|1,0,1]=4 1835 B12R1.107 CC(=O)C[C@@H](O)c1ccccc1 1458a_100000070787_100011933945 [0,2,0,0,0,0|0,0,2]=4 1836 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 11a_100000751104_100015343762 [0,2,0,0,0,0|1,0,1]=4 1837 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 1626a_100000751104_100015343762 [0,2,0,0,0,0|1,0,1]=4 1838 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 240690a_100000751104_100015343762 [0,2,0,0,0,0|1,0,1]=4 1839 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 527a_100000751104_100103153847 [0,2,0,0,0,0|1,0,1]=4 1840 B12R1.107 CC(CC(=O)[13CH3])c1ccccc1 1458a_100000183687_200025704644 [0,2,0,0,0,0|0,0,2]=4 1841 B12R1.107 CN(CC(=O)N)c1ccccc1 2230a_100000210012_100000747473 [0,2,0,0,0,0|1,0,1]=4 1842 B12R1.107 CN(CC(=O)N)c1ccccc1 2230a_100000212578_200000210301 [0,2,0,0,0,0|1,0,1]=4 1843 B12R1.107 CN(CC(=O)N)c1ccccc1 269982a_100000210012_100000187820 [0,2,0,0,0,0|1,0,1]=4 1844 B12R1.107 CN(CC(=O)N)c1ccccc1 269982a_100000212578_200000210301 [0,2,0,0,0,0|1,0,1]=4 1845 B12R1.107 CN(CC(=O)N)c1ccccc1 34a_100000210012_100000187820 [0,2,0,0,0,0|1,0,1]=4 1846 B12R1.107 CN(CC(=O)O)c1ccccc1 269956a_100000212060_200000210301 [0,2,0,0,0,0|1,0,1]=4 1847 B12R1.107 CN(CC(=O)[13CH3])c1ccccc1 1458a_100000745425_200025704644 [0,2,0,0,0,0|1,0,1]=4 1848 B12R1.107 CN(CC(=O)[O-])c1ccccc1 269982a_100000210012_100020667443 [0,2,0,0,0,0|1,0,1]=4 1849 B12R1.107 CN(CC(=O)[O-])c1ccccc1 34a_100000210012_100020667443 [0,2,0,0,0,0|1,0,1]=4 1850 B12R1.107 NC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000187820 [0,2,0,0,0,0|0,0,1]=3 1851 B12R1.107 O=C(C[N+](=O)[O-])c1ccccc1 1458a_100000185807_100000761209 [0,2,0,0,0,0|1,0,1]=4 1852 B12R1.107 O=C([O-])CC(=O)c1ccccc1 1458a_100000185807_100020667443 [0,2,0,0,0,0|0,0,1]=3 1853 B12R1.107 [13CH3]C(=O)CC(O)c1ccccc1 1458a_100000690199_200025704644 [0,2,0,0,0,0|0,0,2]=4 1854 B12R1.107 [13CH3]N(CC(=O)N)c1ccccc1 2230a_100000212578_200025704644 [0,2,0,0,0,0|1,0,1]=4 1855 B12R1.107 [13CH3]N(CC(=O)N)c1ccccc1 269982a_100000212578_200025704644 [0,2,0,0,0,0|1,0,1]=4 1856 B12R1.107 [13CH3]N(CC(=O)O)c1ccccc1 269956a_100000212060_200025704644 [0,2,0,0,0,0|1,0,1]=4 1857 B12R1.308 C=CCC(=O)c1ccccc1Br 1458a_100000188424_100000210623 [0,2,0,0,0,0|1,0,1]=4 1858 B12R1.308 C=CCC(=O)c1ccccc1C 1458a_100000212026_100000210623 [0,2,0,0,0,0|1,0,1]=4 1859 B12R1.308 C=CCC(=O)c1ccccc1Cl 1458a_100000185844_100000210623 [0,2,0,0,0,0|1,0,1]=4 1860 B12R1.308 C=CCC(=O)c1ccccc1F 1458a_100000188656_100000210623 [0,2,0,0,0,0|1,0,1]=4 1861 B12R1.308 C=CCC(=O)c1ccccc1I 1458a_100000187884_100000210623 [0,2,0,0,0,0|1,0,1]=4 1862 B12R1.308 C=CCC(=O)c1ccccc1O 1458a_100015234032_100000210623 [0,2,0,0,0,0|1,0,1]=4 1863 B12R1.308 C=CCC(=O)c1ccccc1[O-] 1458a_100009911694_100000210623 [0,2,0,0,0,0|1,0,1]=4 1864 B12R1.308 CN(CC=O)c1ccccc1Br 2230a_100020606079_200015260668 [0,2,0,0,0,0|1,0,1]=4 1865 B12R1.308 CN(CC=O)c1ccccc1Br 269982a_100020606079_200015260668 [0,2,0,0,0,0|1,0,1]=4 1866 B12R1.308 CN(CC=O)c1ccccc1Br 34a_100020606079_200009817547 [0,2,0,0,0,0|1,0,1]=4 1867 B12R1.308 CN(CC=O)c1ccccc1Cl 2230a_100000219374_200015260668 [0,2,0,0,0,0|1,0,1]=4 1868 B12R1.308 CN(CC=O)c1ccccc1Cl 269982a_100000219374_200015260668 [0,2,0,0,0,0|1,0,1]=4 1869 B12R1.308 CN(CC=O)c1ccccc1Cl 34a_100000219374_200009817547 [0,2,0,0,0,0|1,0,1]=4 1870 B12R1.308 CN(CC=O)c1ccccc1F 2230a_100000220357_200015260668 [0,2,0,0,0,0|1,0,1]=4 1871 B12R1.308 CN(CC=O)c1ccccc1F 269982a_100000220357_200015260668 [0,2,0,0,0,0|1,0,1]=4 1872 B12R1.308 CN(CC=O)c1ccccc1F 34a_100000220357_200009817547 [0,2,0,0,0,0|1,0,1]=4 1873 B12R1.308 CN(CC=O)c1ccccc1O 269982a_100000033821_200015260668 [0,2,0,0,0,0|1,0,1]=4 1874 B12R1.308 Cc1ccccc1N(C)CC=O 2230a_100000219699_200015260668 [0,2,0,0,0,0|1,0,1]=4 1875 B12R1.308 Cc1ccccc1N(C)CC=O 269982a_100000219699_200015260668 [0,2,0,0,0,0|1,0,1]=4 1876 B12R1.308 Cc1ccccc1N(C)CC=O 34a_100000219699_200009817547 [0,2,0,0,0,0|1,0,1]=4 1877 B12R1.25 Cc1c(cccc1NCC=O)Br 34a_100000750434_200009817547 [0,2,0,0,0,0|1,0,1]=4 1878 B12R1.25 Cc1c(cccc1NCC=O)Cl 2230a_100000210441_200015260668 [0,2,0,0,0,0|1,0,1]=4 1879 B12R1.25 Cc1c(cccc1NCC=O)Cl 34a_100000210441_200009817547 [0,2,0,0,0,0|1,0,1]=4 1880 B12R1.25 Cc1c(cccc1NCC=O)Cl 7a_100000210441_200015260668 [0,2,0,0,0,0|1,0,1]=4 1881 B12R1.25 Cc1c(cccc1NCC=O)F 34a_100000745574_200009817547 [0,2,0,0,0,0|1,0,1]=4 1882 B12R1.25 Cc1c(cccc1NCC=O)F 7a_100000745574_200015260668 [0,2,0,0,0,0|1,0,1]=4 1883 B12R1.25 Cc1c(cccc1NCC=O)I 34a_100000761887_200009817547 [0,2,0,0,0,0|1,0,1]=4 1884 B12R1.25 Cc1c(cccc1NCC=O)O 34a_100011216573_200009817547 [0,2,0,0,0,0|1,0,1]=4 1885 B12R1.25 Cc1c(cccc1NCC=O)O 7a_100011216573_200015260668 [0,2,0,0,0,0|1,0,1]=4 1886 B12R1.25 Cc1c(cccc1OCC=O)Br 34a_100012002258_200009817547 [0,2,0,0,0,0|1,0,1]=4 1887 B12R1.25 Cc1c(cccc1OCC=O)Br 7a_100012002258_200015260668 [0,2,0,0,0,0|1,0,1]=4 1888 B12R1.25 Cc1c(cccc1OCC=O)Cl 34a_100011265684_200009817547 [0,2,0,0,0,0|1,0,1]=4 1889 B12R1.25 Cc1c(cccc1OCC=O)Cl 7a_100011265684_200015260668 [0,2,0,0,0,0|1,0,1]=4 1890 B12R1.25 Cc1c(cccc1OCC=O)F 34a_100011217231_200009817547 [0,2,0,0,0,0|1,0,1]=4 1891 B12R1.25 Cc1c(cccc1OCC=O)F 7a_100011217231_200015260668 [0,2,0,0,0,0|1,0,1]=4 1892 B12R1.25 Cc1c(cccc1OCC=O)N 34a_100011216573_200009817547 [0,2,0,0,0,0|1,0,1]=4 1893 B12R1.25 Cc1c(cccc1OCC=O)N 7a_100011216573_200015260668 [0,2,0,0,0,0|1,0,1]=4 1894 B12R1.25 Cc1c(cccc1SCC=O)Br 62a_100012353703_200015260668 [0,2,0,0,0,0|1,0,1]=4 1895 B12R1.25 Cc1c(cccc1SCC=O)Br 62a_200015260668_100012353703 [0,2,0,0,0,0|1,0,1]=4 1896 B12R1.25 Cc1c(cccc1SCC=O)Cl 62a_100000726075_200015260668 [0,2,0,0,0,0|1,0,1]=4 1897 B12R1.25 Cc1c(cccc1SCC=O)Cl 62a_200015260668_100000726075 [0,2,0,0,0,0|1,0,1]=4 1898 B12R1.25 Cc1c(cccc1SCC=O)F 62a_100011216893_200015260668 [0,2,0,0,0,0|1,0,1]=4 1899 B12R1.25 Cc1c(cccc1SCC=O)F 62a_200015260668_100011216893 [0,2,0,0,0,0|1,0,1]=4 1900 B12R1.25 Cc1c(cccc1SCC=O)N 62a_100000761887_200015260668 [0,2,0,0,0,0|1,0,1]=4 1901 B12R1.25 Cc1c(cccc1SCC=O)N 62a_200015260668_100000761887 [0,2,0,0,0,0|1,0,1]=4 1902 B12R1.25 Cc1c(cccc1SCC=O)O 62a_100012002258_200015260668 [0,2,0,0,0,0|1,0,1]=4 1903 B12R1.25 Cc1c(cccc1SCC=O)O 62a_200015260668_100012002258 [0,2,0,0,0,0|1,0,1]=4 1904 B12R1.25 Cc1cccc(c1Br)NCC=O 34a_100000684715_200009817547 [0,2,0,0,0,0|1,0,1]=4 1905 B12R1.25 Cc1cccc(c1Br)OCC=O 34a_100000686692_200009817547 [0,2,0,0,0,0|1,0,1]=4 1906 B12R1.25 Cc1cccc(c1Br)OCC=O 7a_100000686692_200015260668 [0,2,0,0,0,0|1,0,1]=4 1907 B12R1.25 Cc1cccc(c1Br)SCC=O 62a_100012362457_200015260668 [0,2,0,0,0,0|1,0,1]=4 1908 B12R1.25 Cc1cccc(c1Br)SCC=O 62a_200015260668_100012362457 [0,2,0,0,0,0|1,0,1]=4 1909 B12R1.25 Cc1cccc(c1C)NCC=O 2230a_100000210026_200015260668 [0,2,0,0,0,0|1,0,1]=4 1910 B12R1.25 Cc1cccc(c1C)NCC=O 34a_100000210026_200009817547 [0,2,0,0,0,0|1,0,1]=4 1911 B12R1.25 Cc1cccc(c1C)NCC=O 7a_100000210026_200015260668 [0,2,0,0,0,0|1,0,1]=4 1912 B12R1.25 Cc1cccc(c1C)OCC=O 34a_100000185855_200009817547 [0,2,0,0,0,0|1,0,1]=4 1913 B12R1.25 Cc1cccc(c1C)OCC=O 7a_100000185855_200015260668 [0,2,0,0,0,0|1,0,1]=4 1914 B12R1.25 Cc1cccc(c1C)SCC=O 62a_100011214922_200015260668 [0,2,0,0,0,0|1,0,1]=4 1915 B12R1.25 Cc1cccc(c1C)SCC=O 62a_200015260668_100011214922 [0,2,0,0,0,0|1,0,1]=4 1916 B12R1.25 Cc1cccc(c1Cl)NCC=O 34a_100000765562_200009817547 [0,2,0,0,0,0|1,0,1]=4 1917 B12R1.25 Cc1cccc(c1Cl)NCC=O 7a_100000765562_200015260668 [0,2,0,0,0,0|1,0,1]=4 1918 B12R1.25 Cc1cccc(c1Cl)OCC=O 34a_100000695629_200009817547 [0,2,0,0,0,0|1,0,1]=4 1919 B12R1.25 Cc1cccc(c1Cl)OCC=O 7a_100000695629_200015260668 [0,2,0,0,0,0|1,0,1]=4 1920 B12R1.25 Cc1cccc(c1Cl)SCC=O 62a_200012352035_200015260668 [0,2,0,0,0,0|1,0,1]=4 1921 B12R1.25 Cc1cccc(c1Cl)SCC=O 62a_200015260668_200012352035 [0,2,0,0,0,0|1,0,1]=4 1922 B12R1.25 Cc1cccc(c1F)NCC=O 2230a_100000697159_200015260668 [0,2,0,0,0,0|1,0,1]=4 1923 B12R1.25 Cc1cccc(c1F)NCC=O 34a_100000697159_200009817547 [0,2,0,0,0,0|1,0,1]=4 1924 B12R1.25 Cc1cccc(c1F)NCC=O 7a_100000697159_200015260668 [0,2,0,0,0,0|1,0,1]=4 1925 B12R1.25 Cc1cccc(c1F)OCC=O 34a_100000751311_200009817547 [0,2,0,0,0,0|1,0,1]=4 1926 B12R1.25 Cc1cccc(c1F)OCC=O 7a_100000751311_200015260668 [0,2,0,0,0,0|1,0,1]=4 1927 B12R1.25 Cc1cccc(c1F)SCC=O 62a_100000717567_200015260668 [0,2,0,0,0,0|1,0,1]=4 1928 B12R1.25 Cc1cccc(c1F)SCC=O 62a_200015260668_100000717567 [0,2,0,0,0,0|1,0,1]=4 1929 B12R1.25 Cc1cccc(c1I)NCC=O 34a_100000761888_200009817547 [0,2,0,0,0,0|1,0,1]=4 1930 B12R1.25 Cc1cccc(c1I)OCC=O 34a_100010083724_200009817547 [0,2,0,0,0,0|1,0,1]=4 1931 B12R1.25 Cc1cccc(c1I)OCC=O 7a_100010083724_200015260668 [0,2,0,0,0,0|1,0,1]=4 1932 B12R1.25 Cc1cccc(c1N)OCC=O 34a_100000743429_200009817547 [0,2,0,0,0,0|1,0,1]=4 1933 B12R1.25 Cc1cccc(c1N)OCC=O 7a_100000743429_200015260668 [0,2,0,0,0,0|1,0,1]=4 1934 B12R1.25 Cc1cccc(c1N)SCC=O 62a_100011834072_200015260668 [0,2,0,0,0,0|1,0,1]=4 1935 B12R1.25 Cc1cccc(c1N)SCC=O 62a_200015260668_100011834072 [0,2,0,0,0,0|1,0,1]=4 1936 B12R1.25 Cc1cccc(c1O)NCC=O 34a_100000756359_200009817547 [0,2,0,0,0,0|1,0,1]=4 1937 B12R1.25 Cc1cccc(c1O)SCC=O 62a_100009817157_200015260668 [0,2,0,0,0,0|1,0,1]=4 1938 B12R1.25 Cc1cccc(c1O)SCC=O 62a_200015260668_100009817157 [0,2,0,0,0,0|1,0,1]=4 1939 B12R1.25 Nc1c(cccc1OCC=O)Br 34a_100011934926_200009817547 [0,2,0,0,0,0|1,0,1]=4 1940 B12R1.25 Nc1c(cccc1OCC=O)Br 7a_100011934926_200015260668 [0,2,0,0,0,0|1,0,1]=4 1941 B12R1.25 Nc1c(cccc1OCC=O)Cl 34a_100012022510_200009817547 [0,2,0,0,0,0|1,0,1]=4 1942 B12R1.25 Nc1c(cccc1OCC=O)Cl 7a_100012022510_200015260668 [0,2,0,0,0,0|1,0,1]=4 1943 B12R1.25 Nc1c(cccc1OCC=O)F 34a_100020591140_200009817547 [0,2,0,0,0,0|1,0,1]=4 1944 B12R1.25 Nc1c(cccc1OCC=O)F 7a_100020591140_200015260668 [0,2,0,0,0,0|1,0,1]=4 1945 B12R1.25 Nc1c(cccc1OCC=O)I 34a_200000049512_200009817547 [0,2,0,0,0,0|1,0,1]=4 1946 B12R1.25 Nc1c(cccc1OCC=O)I 7a_200000049512_200015260668 [0,2,0,0,0,0|1,0,1]=4 1947 B12R1.25 Nc1c(cccc1SCC=O)Br 62a_100010146558_200015260668 [0,2,0,0,0,0|1,0,1]=4 1948 B12R1.25 Nc1c(cccc1SCC=O)Br 62a_200015260668_100010146558 [0,2,0,0,0,0|1,0,1]=4 1949 B12R1.25 Nc1c(cccc1SCC=O)Cl 62a_100010190421_200015260668 [0,2,0,0,0,0|1,0,1]=4 1950 B12R1.25 Nc1c(cccc1SCC=O)Cl 62a_200015260668_100010190421 [0,2,0,0,0,0|1,0,1]=4 1951 B12R1.25 Nc1c(cccc1SCC=O)F 62a_100000042321_200015260668 [0,2,0,0,0,0|1,0,1]=4 1952 B12R1.25 Nc1c(cccc1SCC=O)F 62a_200015260668_100000042321 [0,2,0,0,0,0|1,0,1]=4 1953 B12R1.25 Nc1c(cccc1SCC=O)O 62a_200015260668_100011934926 [0,2,0,0,0,0|1,0,1]=4 1954 B12R1.25 Nc1cccc(c1Br)OCC=O 34a_100012183704_200009817547 [0,2,0,0,0,0|1,0,1]=4 1955 B12R1.25 Nc1cccc(c1Br)OCC=O 7a_100012183704_200015260668 [0,2,0,0,0,0|1,0,1]=4 1956 B12R1.25 Nc1cccc(c1Cl)OCC=O 34a_100012002038_200009817547 [0,2,0,0,0,0|1,0,1]=4 1957 B12R1.25 Nc1cccc(c1Cl)OCC=O 7a_100012002038_200015260668 [0,2,0,0,0,0|1,0,1]=4 1958 B12R1.25 Nc1cccc(c1F)SCC=O 62a_100011935091_200015260668 [0,2,0,0,0,0|1,0,1]=4 1959 B12R1.25 Nc1cccc(c1F)SCC=O 62a_200015260668_100011935091 [0,2,0,0,0,0|1,0,1]=4 1960 B12R1.25 Nc1cccc(c1N)OCC=O 34a_100000033209_200009817547 [0,2,0,0,0,0|1,0,1]=4 1961 B12R1.25 Nc1cccc(c1N)SCC=O 62a_100015191791_200015260668 [0,2,0,0,0,0|1,0,1]=4 1962 B12R1.25 Nc1cccc(c1O)SCC=O 62a_100011934915_200015260668 [0,2,0,0,0,0|1,0,1]=4 1963 B12R1.25 Nc1cccc(c1O)SCC=O 62a_200015260668_100010084371 [0,2,0,0,0,0|1,0,1]=4 1964 B12R1.25 O=CCNc1cccc(c1Br)Cl 34a_100000687072_200009817547 [0,2,0,0,0,0|1,0,1]=4 1965 B12R1.25 O=CCNc1cccc(c1Br)F 34a_100011934729_200009817547 [0,2,0,0,0,0|1,0,1]=4 1966 B12R1.25 O=CCNc1cccc(c1Br)O 34a_100012183704_200009817547 [0,2,0,0,0,0|1,0,1]=4 1967 B12R1.25 O=CCNc1cccc(c1Br)O 7a_100012183704_200015260668 [0,2,0,0,0,0|1,0,1]=4 1968 B12R1.25 O=CCNc1cccc(c1Cl)Br 34a_100000687075_200009817547 [0,2,0,0,0,0|1,0,1]=4 1969 B12R1.25 O=CCNc1cccc(c1Cl)Cl 34a_100000185733_200009817547 [0,2,0,0,0,0|1,0,1]=4 1970 B12R1.25 O=CCNc1cccc(c1Cl)F 34a_100000692321_200009817547 [0,2,0,0,0,0|1,0,1]=4 1971 B12R1.25 O=CCNc1cccc(c1Cl)O 34a_100012002038_200009817547 [0,2,0,0,0,0|1,0,1]=4 1972 B12R1.25 O=CCNc1cccc(c1Cl)O 7a_100012002038_200015260668 [0,2,0,0,0,0|1,0,1]=4 1973 B12R1.25 O=CCNc1cccc(c1F)Br 2230a_100011935091_200015260668 [0,2,0,0,0,0|1,0,1]=4 1974 B12R1.25 O=CCNc1cccc(c1F)Br 34a_100011935091_200009817547 [0,2,0,0,0,0|1,0,1]=4 1975 B12R1.25 O=CCNc1cccc(c1F)Cl 2230a_100000199060_200015260668 [0,2,0,0,0,0|1,0,1]=4 1976 B12R1.25 O=CCNc1cccc(c1F)Cl 34a_100000199060_200009817547 [0,2,0,0,0,0|1,0,1]=4 1977 B12R1.25 O=CCNc1cccc(c1F)F 34a_100000743855_200009817547 [0,2,0,0,0,0|1,0,1]=4 1978 B12R1.25 O=CCNc1cccc(c1I)Br 34a_100020590159_200009817547 [0,2,0,0,0,0|1,0,1]=4 1979 B12R1.25 O=CCNc1cccc(c1I)Cl 34a_100000049713_200009817547 [0,2,0,0,0,0|1,0,1]=4 1980 B12R1.25 O=CCNc1cccc(c1I)F 34a_100000690935_200009817547 [0,2,0,0,0,0|1,0,1]=4 1981 B12R1.25 O=CCNc1cccc(c1O)Br 34a_100011934915_200009817547 [0,2,0,0,0,0|1,0,1]=4 1982 B12R1.25 O=CCNc1cccc(c1O)Cl 34a_100000754742_200009817547 [0,2,0,0,0,0|1,0,1]=4 1983 B12R1.25 O=CCNc1cccc(c1O)F 34a_100011934987_200009817547 [0,2,0,0,0,0|1,0,1]=4 1984 B12R1.25 O=CCOc1cccc(c1Br)Br 34a_100010187966_200009817547 [0,2,0,0,0,0|1,0,1]=4 1985 B12R1.25 O=CCOc1cccc(c1Br)Br 7a_100010187966_200015260668 [0,2,0,0,0,0|1,0,1]=4 1986 B12R1.25 O=CCOc1cccc(c1Br)Cl 34a_100012348804_200009817547 [0,2,0,0,0,0|1,0,1]=4 1987 B12R1.25 O=CCOc1cccc(c1Br)Cl 7a_100012348804_200015260668 [0,2,0,0,0,0|1,0,1]=4 1988 B12R1.25 O=CCOc1cccc(c1Br)F 34a_100009820682_200009817547 [0,2,0,0,0,0|1,0,1]=4 1989 B12R1.25 O=CCOc1cccc(c1Br)F 7a_100009820682_200015260668 [0,2,0,0,0,0|1,0,1]=4 1990 B12R1.25 O=CCOc1cccc(c1Br)I 34a_100010187914_200009817547 [0,2,0,0,0,0|1,0,1]=4 1991 B12R1.25 O=CCOc1cccc(c1Br)I 7a_100010187914_200015260668 [0,2,0,0,0,0|1,0,1]=4 1992 B12R1.25 O=CCOc1cccc(c1Cl)Br 34a_100010187913_200009817547 [0,2,0,0,0,0|1,0,1]=4 1993 B12R1.25 O=CCOc1cccc(c1Cl)Br 7a_100010187913_200015260668 [0,2,0,0,0,0|1,0,1]=4 1994 B12R1.25 O=CCOc1cccc(c1Cl)Cl 34a_100000211076_200009817547 [0,2,0,0,0,0|1,0,1]=4 1995 B12R1.25 O=CCOc1cccc(c1Cl)Cl 7a_100000211076_200015260668 [0,2,0,0,0,0|1,0,1]=4 1996 B12R1.25 O=CCOc1cccc(c1Cl)F 34a_100000087408_200009817547 [0,2,0,0,0,0|1,0,1]=4 1997 B12R1.25 O=CCOc1cccc(c1Cl)F 7a_100000087408_200015260668 [0,2,0,0,0,0|1,0,1]=4 1998 B12R1.25 O=CCOc1cccc(c1Cl)I 34a_100000049636_200009817547 [0,2,0,0,0,0|1,0,1]=4 1999 B12R1.25 O=CCOc1cccc(c1Cl)I 7a_100000049636_200015260668 [0,2,0,0,0,0|1,0,1]=4 2000 B12R1.25 O=CCOc1cccc(c1F)Br 34a_100009817021_200009817547 [0,2,0,0,0,0|1,0,1]=4 2001 B12R1.25 O=CCOc1cccc(c1F)Br 7a_100009817021_200015260668 [0,2,0,0,0,0|1,0,1]=4 2002 B12R1.25 O=CCOc1cccc(c1F)Cl 34a_100000687438_200009817547 [0,2,0,0,0,0|1,0,1]=4 2003 B12R1.25 O=CCOc1cccc(c1F)Cl 7a_100000687438_200015260668 [0,2,0,0,0,0|1,0,1]=4 2004 B12R1.25 O=CCOc1cccc(c1F)F 34a_100000751161_200009817547 [0,2,0,0,0,0|1,0,1]=4 2005 B12R1.25 O=CCOc1cccc(c1F)F 7a_100000751161_200015260668 [0,2,0,0,0,0|1,0,1]=4 2006 B12R1.25 O=CCOc1cccc(c1I)Br 34a_100010187912_200009817547 [0,2,0,0,0,0|1,0,1]=4 2007 B12R1.25 O=CCOc1cccc(c1I)Br 7a_100010187912_200015260668 [0,2,0,0,0,0|1,0,1]=4 2008 B12R1.25 O=CCOc1cccc(c1I)Cl 34a_100000050174_200009817547 [0,2,0,0,0,0|1,0,1]=4 2009 B12R1.25 O=CCOc1cccc(c1I)Cl 7a_100000050174_200015260668 [0,2,0,0,0,0|1,0,1]=4 2010 B12R1.25 O=CCOc1cccc(c1I)F 34a_100000690913_200009817547 [0,2,0,0,0,0|1,0,1]=4 2011 B12R1.25 O=CCOc1cccc(c1I)F 7a_100000690913_200015260668 [0,2,0,0,0,0|1,0,1]=4 2012 B12R1.25 O=CCSc1cccc(c1Br)Br 62a_100010175083_200015260668 [0,2,0,0,0,0|1,0,1]=4 2013 B12R1.25 O=CCSc1cccc(c1Br)Br 62a_200015260668_100010175083 [0,2,0,0,0,0|1,0,1]=4 2014 B12R1.25 O=CCSc1cccc(c1Br)Cl 62a_100014021842_200015260668 [0,2,0,0,0,0|1,0,1]=4 2015 B12R1.25 O=CCSc1cccc(c1Br)Cl 62a_200015260668_100014021842 [0,2,0,0,0,0|1,0,1]=4 2016 B12R1.25 O=CCSc1cccc(c1Br)F 62a_100010202630_200015260668 [0,2,0,0,0,0|1,0,1]=4 2017 B12R1.25 O=CCSc1cccc(c1Br)F 62a_200015260668_100010202630 [0,2,0,0,0,0|1,0,1]=4 2018 B12R1.25 O=CCSc1cccc(c1Br)O 62a_100010187914_200015260668 [0,2,0,0,0,0|1,0,1]=4 2019 B12R1.25 O=CCSc1cccc(c1Br)O 62a_200015260668_100010187914 [0,2,0,0,0,0|1,0,1]=4 2020 B12R1.25 O=CCSc1cccc(c1Cl)Br 62a_100010142854_200015260668 [0,2,0,0,0,0|1,0,1]=4 2021 B12R1.25 O=CCSc1cccc(c1Cl)Br 62a_200015260668_100010142854 [0,2,0,0,0,0|1,0,1]=4 2022 B12R1.25 O=CCSc1cccc(c1Cl)Cl 62a_100011215384_200015260668 [0,2,0,0,0,0|1,0,1]=4 2023 B12R1.25 O=CCSc1cccc(c1Cl)Cl 62a_200015260668_100011215384 [0,2,0,0,0,0|1,0,1]=4 2024 B12R1.25 O=CCSc1cccc(c1Cl)F 62a_200010234923_200015260668 [0,2,0,0,0,0|1,0,1]=4 2025 B12R1.25 O=CCSc1cccc(c1Cl)F 62a_200015260668_200010234923 [0,2,0,0,0,0|1,0,1]=4 2026 B12R1.25 O=CCSc1cccc(c1Cl)O 62a_200015260668_100000049636 [0,2,0,0,0,0|1,0,1]=4 2027 B12R1.25 O=CCSc1cccc(c1F)Br 62a_100000702267_200015260668 [0,2,0,0,0,0|1,0,1]=4 2028 B12R1.25 O=CCSc1cccc(c1F)Br 62a_200015260668_100000702267 [0,2,0,0,0,0|1,0,1]=4 2029 B12R1.25 O=CCSc1cccc(c1F)Cl 62a_100011217346_200015260668 [0,2,0,0,0,0|1,0,1]=4 2030 B12R1.25 O=CCSc1cccc(c1F)Cl 62a_200015260668_100011217346 [0,2,0,0,0,0|1,0,1]=4 2031 B12R1.25 O=CCSc1cccc(c1F)F 62a_100000694657_200015260668 [0,2,0,0,0,0|1,0,1]=4 2032 B12R1.25 O=CCSc1cccc(c1F)F 62a_200015260668_100000694657 [0,2,0,0,0,0|1,0,1]=4 2033 B12R1.25 O=CCSc1cccc(c1F)O 62a_100009817021_200015260668 [0,2,0,0,0,0|1,0,1]=4 2034 B12R1.25 O=CCSc1cccc(c1F)O 62a_200015260668_100009817021 [0,2,0,0,0,0|1,0,1]=4 2035 B12R1.25 O=CCSc1cccc(c1O)Br 62a_100010084509_200015260668 [0,2,0,0,0,0|1,0,1]=4 2036 B12R1.25 O=CCSc1cccc(c1O)Br 62a_200015260668_100010084509 [0,2,0,0,0,0|1,0,1]=4 2037 B12R1.25 O=CCSc1cccc(c1O)Cl 62a_100010202889_200015260668 [0,2,0,0,0,0|1,0,1]=4 2038 B12R1.25 O=CCSc1cccc(c1O)Cl 62a_200015260668_100010202889 [0,2,0,0,0,0|1,0,1]=4 2039 B12R1.25 O=CCSc1cccc(c1O)F 62a_100009813666_200015260668 [0,2,0,0,0,0|1,0,1]=4 2040 B12R1.25 O=CCSc1cccc(c1O)F 62a_200015260668_100009813666 [0,2,0,0,0,0|1,0,1]=4 2041 B12R1.25 O=CCSc1cccc(c1O)O 62a_200015260668_100009815950 [0,2,0,0,0,0|1,0,1]=4 2042 B12R1.121 C#Cc1ccccc1NCC=O 34a_100011470550_200009817547 [0,2,0,0,0,0|1,0,1]=4 2043 B12R1.121 C#Cc1ccccc1OCC=O 34a_200011470546_200009817547 [0,2,0,0,0,0|1,0,1]=4 2044 B12R1.121 C#Cc1ccccc1OCC=O 7a_200011470546_200015260668 [0,2,0,0,0,0|1,0,1]=4 2045 B12R1.121 C=Cc1ccccc1CCC=O 271570a_100011290941_100011713448 [0,2,0,0,0,0|0,0,2]=4 2046 B12R1.121 C=Cc1ccccc1NCC=O 34a_100012022501_200009817547 [0,2,0,0,0,0|1,0,1]=4 2047 B12R1.121 C=Cc1ccccc1SCC=O 62a_100011218376_200015260668 [0,2,0,0,0,0|1,0,1]=4 2048 B12R1.121 C=Cc1ccccc1SCC=O 62a_200015260668_100011218376 [0,2,0,0,0,0|1,0,1]=4 2049 B12R1.121 CCc1ccccc1NCC=O 2230a_100000212081_200015260668 [0,2,0,0,0,0|1,0,1]=4 2050 B12R1.121 CCc1ccccc1NCC=O 34a_100000212081_200009817547 [0,2,0,0,0,0|1,0,1]=4 2051 B12R1.121 CCc1ccccc1NCC=O 7a_100000212081_200015260668 [0,2,0,0,0,0|1,0,1]=4 2052 B12R1.121 CCc1ccccc1OCC=O 34a_100000210936_200009817547 [0,2,0,0,0,0|1,0,1]=4 2053 B12R1.121 CCc1ccccc1OCC=O 7a_100000210936_200015260668 [0,2,0,0,0,0|1,0,1]=4 2054 B12R1.121 CCc1ccccc1SCC=O 62a_100011215823_200015260668 [0,2,0,0,0,0|1,0,1]=4 2055 B12R1.121 CCc1ccccc1SCC=O 62a_200015260668_100011215823 [0,2,0,0,0,0|1,0,1]=4 2056 B12R1.121 CNc1ccccc1OCC=O 34a_100000033821_200009817547 [0,2,0,0,0,0|1,0,1]=4 2057 B12R1.121 CNc1ccccc1SCC=O 62a_100020606079_200015260668 [0,2,0,0,0,0|1,0,1]=4 2058 B12R1.121 CNc1ccccc1SCC=O 62a_200015260668_100020606079 [0,2,0,0,0,0|1,0,1]=4 2059 B12R1.121 COc1ccccc1NCC=O 34a_100000210025_200009817547 [0,2,0,0,0,0|1,0,1]=4 2060 B12R1.121 COc1ccccc1OCC=O 34a_100000210385_200009817547 [0,2,0,0,0,0|1,0,1]=4 2061 B12R1.121 COc1ccccc1SCC=O 62a_100000210334_200015260668 [0,2,0,0,0,0|1,0,1]=4 2062 B12R1.121 COc1ccccc1SCC=O 62a_200015260668_100000210334 [0,2,0,0,0,0|1,0,1]=4 2063 B12R1.121 CSc1ccccc1/C=C/C=O 62a_200000210301_200016268969 [0,2,0,0,0,0|0,0,0]=2 2064 B12R1.121 CSc1ccccc1/C=C/C=O 62a_200016268969_200000210301 [0,2,0,0,0,0|0,0,0]=2 2065 B12R1.121 CSc1ccccc1CCC=O 62a_100011713448_200000210301 [0,2,0,0,0,0|0,0,2]=4 2066 B12R1.121 CSc1ccccc1CCC=O 62a_200000210301_100011713448 [0,2,0,0,0,0|0,0,2]=4 2067 B12R1.121 CSc1ccccc1NCC=O 34a_100000211160_200009817547 [0,2,0,0,0,0|1,0,1]=4 2068 B12R1.121 CSc1ccccc1OCC=O 34a_100011216402_200009817547 [0,2,0,0,0,0|1,0,1]=4 2069 B12R1.121 CSc1ccccc1SCC=O 62a_100011217816_200015260668 [0,2,0,0,0,0|1,0,1]=4 2070 B12R1.121 CSc1ccccc1SCC=O 62a_200015260668_100011217816 [0,2,0,0,0,0|1,0,1]=4 2071 B12R1.121 N#Cc1ccccc1NCC=O 34a_100000211148_200009817547 [0,2,0,0,0,0|1,0,1]=4 2072 B12R1.121 N#Cc1ccccc1OCC=O 34a_100000211048_200009817547 [0,2,0,0,0,0|1,0,1]=4 2073 B12R1.121 N#Cc1ccccc1OCC=O 7a_100000211048_200015260668 [0,2,0,0,0,0|1,0,1]=4 2074 B12R1.121 N#Cc1ccccc1SCC=O 62a_200015260668_100000188569 [0,2,0,0,0,0|1,0,1]=4 2075 B12R1.121 NCc1ccccc1OCC=O 34a_100000185550_200009817547 [0,2,0,0,0,0|1,0,1]=4 2076 B12R1.121 NCc1ccccc1SCC=O 62a_100000689332_200015260668 [0,2,0,0,0,0|1,0,1]=4 2077 B12R1.121 NCc1ccccc1SCC=O 62a_200015260668_100000689332 [0,2,0,0,0,0|1,0,1]=4 2078 B12R1.121 NNc1ccccc1SCC=O 62a_100000241748_200015260668 [0,2,0,0,0,0|1,0,1]=4 2079 B12R1.121 NNc1ccccc1SCC=O 62a_200015260668_100000241748 [0,2,0,0,0,0|1,0,1]=4 2080 B12R1.121 O=CCNc1ccccc1CO 34a_100000212039_200009817547 [0,2,0,0,0,0|1,0,1]=4 2081 B12R1.121 O=CCOc1ccccc1CO 34a_100011216872_200009817547 [0,2,0,0,0,0|1,0,1]=4 2082 B12R1.121 O=CCSc1ccccc1C=O 62a_100000210073_200015260668 [0,2,0,0,0,0|1,0,1]=4 2083 B12R1.121 O=CCSc1ccccc1C=O 62a_200015260668_100000210073 [0,2,0,0,0,0|1,0,1]=4 2084 B12R1.121 O=CCSc1ccccc1CO 62a_100000187465_200015260668 [0,2,0,0,0,0|1,0,1]=4 2085 B12R1.121 O=CCSc1ccccc1CO 62a_200015260668_100000187465 [0,2,0,0,0,0|1,0,1]=4 2086 B12R1.121 [13CH3]Sc1ccccc1/C=C/C=O 62a_200016268969_200025704644 [0,2,0,0,0,0|0,0,0]=2 2087 B12R1.121 [13CH3]Sc1ccccc1/C=C/C=O 62a_200025704644_200016268969 [0,2,0,0,0,0|0,0,0]=2 2088 B12R1.121 [13CH3]Sc1ccccc1CCC=O 62a_100011713448_200025704644 [0,2,0,0,0,0|0,0,2]=4 2089 B12R1.121 [13CH3]Sc1ccccc1CCC=O 62a_200025704644_100011713448 [0,2,0,0,0,0|0,0,2]=4 2090 B12R1.125 CC(=O)C#Cc1ccccc1F 1458a_100011892747_200000210301 [0,2,0,0,0,0|0,0,2]=4 2091 B12R1.125 CC(=O)C=Cc1ccccc1Br 1458a_100000719032_200000210301 [0,2,0,0,0,0|0,0,0]=2 2092 B12R1.125 CC(=O)C=Cc1ccccc1Cl 1458a_100000720304_200000210301 [0,2,0,0,0,0|0,0,0]=2 2093 B12R1.125 CC(=O)C=Cc1ccccc1F 1458a_100016256065_200000210301 [0,2,0,0,0,0|0,0,0]=2 2094 B12R1.125 CC(=O)C=Cc1ccccc1O 1458a_100016263591_200000210301 [0,2,0,0,0,0|0,0,0]=2 2095 B12R1.125 CC(=O)CCc1ccccc1Br 1458a_100000070787_100012161201 [0,2,0,0,0,0|0,0,2]=4 2096 B12R1.125 CC(=O)CCc1ccccc1Br 1458a_100000740810_200000210301 [0,2,0,0,0,0|0,0,2]=4 2097 B12R1.125 CC(=O)CCc1ccccc1C 1458a_100000070787_100011713688 [0,2,0,0,0,0|0,0,2]=4 2098 B12R1.125 CC(=O)CCc1ccccc1C 1458a_100000748742_200000210301 [0,2,0,0,0,0|0,0,2]=4 2099 B12R1.125 CC(=O)CCc1ccccc1Cl 1458a_100000070787_100011713703 [0,2,0,0,0,0|0,0,2]=4 2100 B12R1.125 CC(=O)CCc1ccccc1Cl 1458a_100000184300_200000210301 [0,2,0,0,0,0|0,0,2]=4 2101 B12R1.125 CC(=O)CCc1ccccc1F 1458a_100000070787_100000720011 [0,2,0,0,0,0|0,0,2]=4 2102 B12R1.125 CC(=O)CCc1ccccc1F 1458a_100000189703_200000210301 [0,2,0,0,0,0|0,0,2]=4 2103 B12R1.125 CC(=O)CCc1ccccc1I 1458a_100000037306_200000210301 [0,2,0,0,0,0|0,0,2]=4 2104 B12R1.125 CC(=O)CCc1ccccc1O 1458a_100000070787_100000722297 [0,2,0,0,0,0|0,0,2]=4 2105 B12R1.125 CC(=O)CCc1ccccc1O 1458a_100000181328_200000210301 [0,2,0,0,0,0|0,0,2]=4 2106 B12R1.125 CC(=O)COc1ccccc1Br 1458a_100000216496_200000210301 [0,2,0,0,0,0|1,0,1]=4 2107 B12R1.125 CC(=O)COc1ccccc1C 1458a_100000182418_200000210301 [0,2,0,0,0,0|1,0,1]=4 2108 B12R1.125 CC(=O)COc1ccccc1Cl 1458a_100000185159_200000210301 [0,2,0,0,0,0|1,0,1]=4 2109 B12R1.125 CC(=O)COc1ccccc1F 1458a_100000182486_200000210301 [0,2,0,0,0,0|1,0,1]=4 2110 B12R1.125 CC(=O)COc1ccccc1O 1458a_100000183020_200000210301 [0,2,0,0,0,0|1,0,1]=4 2111 B12R1.125 CC(=O)CSc1ccccc1C 1458a_100000183026_200000210301 [0,2,0,0,0,0|1,0,1]=4 2112 B12R1.125 CC(=O)CSc1ccccc1F 1458a_100000179528_200000210301 [0,2,0,0,0,0|1,0,1]=4 2113 B12R1.125 CC(=O)CSc1ccccc1O 1458a_100000695322_200000210301 [0,2,0,0,0,0|1,0,1]=4 2114 B12R1.125 CC(=O)NCc1ccccc1Br 11a_100000689332_100015343762 [0,2,0,0,0,0|1,0,1]=4 2115 B12R1.125 CC(=O)NCc1ccccc1Br 1626a_100000689332_100015343762 [0,2,0,0,0,0|1,0,1]=4 2116 B12R1.125 CC(=O)NCc1ccccc1Br 240690a_100000689332_100015343762 [0,2,0,0,0,0|1,0,1]=4 2117 B12R1.125 CC(=O)NCc1ccccc1Br 527a_100000689332_100103153847 [0,2,0,0,0,0|1,0,1]=4 2118 B12R1.125 CC(=O)NCc1ccccc1C 11a_100000174972_100015343762 [0,2,0,0,0,0|1,0,1]=4 2119 B12R1.125 CC(=O)NCc1ccccc1C 1626a_100000174972_100015343762 [0,2,0,0,0,0|1,0,1]=4 2120 B12R1.125 CC(=O)NCc1ccccc1C 240690a_100000174972_100015343762 [0,2,0,0,0,0|1,0,1]=4 2121 B12R1.125 CC(=O)NCc1ccccc1C 527a_100000174972_100103153847 [0,2,0,0,0,0|1,0,1]=4 2122 B12R1.125 CC(=O)NCc1ccccc1Cl 11a_100000174879_100015343762 [0,2,0,0,0,0|1,0,1]=4 2123 B12R1.125 CC(=O)NCc1ccccc1Cl 1626a_100000174879_100015343762 [0,2,0,0,0,0|1,0,1]=4 2124 B12R1.125 CC(=O)NCc1ccccc1Cl 240690a_100000174879_100015343762 [0,2,0,0,0,0|1,0,1]=4 2125 B12R1.125 CC(=O)NCc1ccccc1Cl 527a_100000174879_100103153847 [0,2,0,0,0,0|1,0,1]=4 2126 B12R1.125 CC(=O)NCc1ccccc1F 11a_100000174869_100015343762 [0,2,0,0,0,0|1,0,1]=4 2127 B12R1.125 CC(=O)NCc1ccccc1F 1626a_100000174869_100015343762 [0,2,0,0,0,0|1,0,1]=4 2128 B12R1.125 CC(=O)NCc1ccccc1F 240690a_100000174869_100015343762 [0,2,0,0,0,0|1,0,1]=4 2129 B12R1.125 CC(=O)NCc1ccccc1F 527a_100000174869_100103153847 [0,2,0,0,0,0|1,0,1]=4 2130 B12R1.125 CC(=O)NCc1ccccc1I 11a_100015347259_100015343762 [0,2,0,0,0,0|1,0,1]=4 2131 B12R1.125 CC(=O)NCc1ccccc1I 1626a_100015347259_100015343762 [0,2,0,0,0,0|1,0,1]=4 2132 B12R1.125 CC(=O)NCc1ccccc1I 240690a_100015347259_100015343762 [0,2,0,0,0,0|1,0,1]=4 2133 B12R1.125 CC(=O)NCc1ccccc1I 527a_100015347259_100103153847 [0,2,0,0,0,0|1,0,1]=4 2134 B12R1.125 CC(=O)NCc1ccccc1O 240690a_100000185550_100015343762 [0,2,0,0,0,0|1,0,1]=4 2135 B12R1.125 CC(=O)NCc1ccccc1O 271570a_203496583355_100011237613 [0,2,0,0,0,0|1,0,1]=4 2136 B12R1.125 CC(=O)NCc1ccccc1O 527a_100000185550_100103153847 [0,2,0,0,0,0|1,0,1]=4 2137 B12R1.125 CC(=O)NNc1ccccc1Br 22a_100000241748_100000070787 [0,2,0,0,0,0|2,0,0]=4 2138 B12R1.125 CC(=O)NNc1ccccc1C 22a_100000184220_100000070787 [0,2,0,0,0,0|2,0,0]=4 2139 B12R1.125 CC(=O)NNc1ccccc1Cl 22a_100000683529_100000070787 [0,2,0,0,0,0|2,0,0]=4 2140 B12R1.125 CC(=O)NNc1ccccc1F 22a_100000239246_100000070787 [0,2,0,0,0,0|2,0,0]=4 2141 B12R1.125 CC(=O)NNc1ccccc1I 22a_100011218156_100000070787 [0,2,0,0,0,0|2,0,0]=4 2142 B12R1.125 CC(C)C=Cc1ccccc1Br 271570a_100016257149_100000695589 [0,2,0,0,0,0|1,0,1]=4 2143 B12R1.125 CC(C)C=Cc1ccccc1Cl 271570a_100016257149_100000764095 [0,2,0,0,0,0|1,0,1]=4 2144 B12R1.125 CC(C)C=Cc1ccccc1F 271570a_100016257149_100011215700 [0,2,0,0,0,0|1,0,1]=4 2145 B12R1.125 CC(C)C=Cc1ccccc1N 271570a_100016257149_100000210017 [0,2,0,0,0,0|1,0,1]=4 2146 B12R1.125 CC(C)C=Cc1ccccc1O 271570a_100016257149_100000739446 [0,2,0,0,0,0|1,0,1]=4 2147 B12R1.125 CC(O)C=Cc1ccccc1Br 271570a_200011019289_100000695589 [0,2,0,0,0,0|0,0,2]=4 2148 B12R1.125 CC(O)C=Cc1ccccc1Cl 271570a_200011019289_100000764095 [0,2,0,0,0,0|0,0,2]=4 2149 B12R1.125 CC(O)C=Cc1ccccc1F 271570a_200011019289_100011215700 [0,2,0,0,0,0|0,0,2]=4 2150 B12R1.125 CC(O)C=Cc1ccccc1N 271570a_200011019289_100000210017 [0,2,0,0,0,0|0,0,2]=4 2151 B12R1.125 CC(O)C=Cc1ccccc1O 271570a_200011019289_100000739446 [0,2,0,0,0,0|0,0,2]=4 2152 B12R1.125 Cc1ccccc1C=CC(C)C 271570a_100016257149_100000210755 [0,2,0,0,0,0|1,0,1]=4 2153 B12R1.125 Cc1ccccc1C=CC(C)O 271570a_200011019289_100000210755 [0,2,0,0,0,0|0,0,2]=4 2154 B12R1.125 Cc1ccccc1CCC(=O)[13CH3] 1458a_100000748742_200025704644 [0,2,0,0,0,0|0,0,2]=4 2155 B12R1.125 Cc1ccccc1NCC(=O)N 34a_100015192222_100000187820 [0,2,0,0,0,0|1,0,1]=4 2156 B12R1.125 Cc1ccccc1NCC(=O)[O-] 34a_100015192222_100020667443 [0,2,0,0,0,0|1,0,1]=4 2157 B12R1.125 Cc1ccccc1OCC(=O)N 34a_100000210338_100000187820 [0,2,0,0,0,0|1,0,1]=4 2158 B12R1.125 Cc1ccccc1OCC(=O)N 7a_100000210338_100000187820 [0,2,0,0,0,0|1,0,1]=4 2159 B12R1.125 Cc1ccccc1OCC(=O)[13CH3] 1458a_100000182418_200025704644 [0,2,0,0,0,0|1,0,1]=4 2160 B12R1.125 Cc1ccccc1OCC(=O)[O-] 34a_100000210338_100020667443 [0,2,0,0,0,0|1,0,1]=4 2161 B12R1.125 Cc1ccccc1SCC(=O)N 62a_100000210755_100000747473 [0,2,0,0,0,0|1,0,1]=4 2162 B12R1.125 Cc1ccccc1SCC(=O)N 62a_100000747473_100000210755 [0,2,0,0,0,0|1,0,1]=4 2163 B12R1.125 Cc1ccccc1SCC(=O)[13CH3] 1458a_100000183026_200025704644 [0,2,0,0,0,0|1,0,1]=4 2164 B12R1.125 Cc1ccccc1SCC(=O)[O-] 62a_100000210755_100020667443 [0,2,0,0,0,0|1,0,1]=4 2165 B12R1.125 Cc1ccccc1SCC(=O)[O-] 62a_100020667443_100000210755 [0,2,0,0,0,0|1,0,1]=4 2166 B12R1.125 NC(=O)CCc1ccccc1O 271570a_203496583355_100009814947 [0,2,0,0,0,0|0,0,2]=4 2167 B12R1.125 NC(=O)CNc1ccccc1Br 34a_100000210017_100000187820 [0,2,0,0,0,0|1,0,1]=4 2168 B12R1.125 NC(=O)CNc1ccccc1Cl 34a_100000185783_100000187820 [0,2,0,0,0,0|1,0,1]=4 2169 B12R1.125 NC(=O)CNc1ccccc1F 34a_100000210422_100000187820 [0,2,0,0,0,0|1,0,1]=4 2170 B12R1.125 NC(=O)CNc1ccccc1I 34a_100000210053_100000187820 [0,2,0,0,0,0|1,0,1]=4 2171 B12R1.125 NC(=O)CNc1ccccc1O 34a_100000185747_100000187820 [0,2,0,0,0,0|1,0,1]=4 2172 B12R1.125 NC(=O)COc1ccccc1Br 34a_100000181306_100000187820 [0,2,0,0,0,0|1,0,1]=4 2173 B12R1.125 NC(=O)COc1ccccc1Br 7a_100000181306_100000187820 [0,2,0,0,0,0|1,0,1]=4 2174 B12R1.125 NC(=O)COc1ccccc1Cl 34a_100000210172_100000187820 [0,2,0,0,0,0|1,0,1]=4 2175 B12R1.125 NC(=O)COc1ccccc1Cl 7a_100000210172_100000187820 [0,2,0,0,0,0|1,0,1]=4 2176 B12R1.125 NC(=O)COc1ccccc1F 34a_100000210171_100000187820 [0,2,0,0,0,0|1,0,1]=4 2177 B12R1.125 NC(=O)COc1ccccc1F 7a_100000210171_100000187820 [0,2,0,0,0,0|1,0,1]=4 2178 B12R1.125 NC(=O)COc1ccccc1I 34a_100000739446_100000187820 [0,2,0,0,0,0|1,0,1]=4 2179 B12R1.125 NC(=O)COc1ccccc1I 7a_100000739446_100000187820 [0,2,0,0,0,0|1,0,1]=4 2180 B12R1.125 NC(=O)COc1ccccc1N 34a_100000185747_100000187820 [0,2,0,0,0,0|1,0,1]=4 2181 B12R1.125 NC(=O)COc1ccccc1N 7a_100000185747_100000187820 [0,2,0,0,0,0|1,0,1]=4 2182 B12R1.125 NC(=O)COc1ccccc1O 271570a_203496583355_200000148491 [0,2,0,0,0,0|1,0,1]=4 2183 B12R1.125 NC(=O)CSc1ccccc1Br 62a_100000695589_100000747473 [0,2,0,0,0,0|1,0,1]=4 2184 B12R1.125 NC(=O)CSc1ccccc1Br 62a_100000747473_100000695589 [0,2,0,0,0,0|1,0,1]=4 2185 B12R1.125 NC(=O)CSc1ccccc1Cl 62a_100000747473_100000764095 [0,2,0,0,0,0|1,0,1]=4 2186 B12R1.125 NC(=O)CSc1ccccc1Cl 62a_100000764095_100000747473 [0,2,0,0,0,0|1,0,1]=4 2187 B12R1.125 NC(=O)CSc1ccccc1F 62a_100000747473_100011215700 [0,2,0,0,0,0|1,0,1]=4 2188 B12R1.125 NC(=O)CSc1ccccc1F 62a_100011215700_100000747473 [0,2,0,0,0,0|1,0,1]=4 2189 B12R1.125 NC(=O)CSc1ccccc1N 62a_100000210017_100000747473 [0,2,0,0,0,0|1,0,1]=4 2190 B12R1.125 NC(=O)CSc1ccccc1N 62a_100000747473_100000210017 [0,2,0,0,0,0|1,0,1]=4 2191 B12R1.125 NC(=O)CSc1ccccc1O 62a_100000739446_100000747473 [0,2,0,0,0,0|1,0,1]=4 2192 B12R1.125 NC(=O)CSc1ccccc1O 62a_100000747473_100000739446 [0,2,0,0,0,0|1,0,1]=4 2193 B12R1.125 Nc1ccccc1OCC(=O)[O-] 34a_100000185747_100020667443 [0,2,0,0,0,0|1,0,1]=4 2194 B12R1.125 Nc1ccccc1SCC(=O)[O-] 62a_100000210017_100020667443 [0,2,0,0,0,0|1,0,1]=4 2195 B12R1.125 Nc1ccccc1SCC(=O)[O-] 62a_100020667443_100000210017 [0,2,0,0,0,0|1,0,1]=4 2196 B12R1.125 O=C([O-])CNc1ccccc1Br 34a_100000210017_100020667443 [0,2,0,0,0,0|1,0,1]=4 2197 B12R1.125 O=C([O-])CNc1ccccc1Cl 34a_100000185783_100020667443 [0,2,0,0,0,0|1,0,1]=4 2198 B12R1.125 O=C([O-])CNc1ccccc1F 34a_100000210422_100020667443 [0,2,0,0,0,0|1,0,1]=4 2199 B12R1.125 O=C([O-])CNc1ccccc1I 34a_100000210053_100020667443 [0,2,0,0,0,0|1,0,1]=4 2200 B12R1.125 O=C([O-])CNc1ccccc1O 34a_100000185747_100020667443 [0,2,0,0,0,0|1,0,1]=4 2201 B12R1.125 O=C([O-])COc1ccccc1Br 34a_100000181306_100020667443 [0,2,0,0,0,0|1,0,1]=4 2202 B12R1.125 O=C([O-])COc1ccccc1Cl 34a_100000210172_100020667443 [0,2,0,0,0,0|1,0,1]=4 2203 B12R1.125 O=C([O-])COc1ccccc1F 34a_100000210171_100020667443 [0,2,0,0,0,0|1,0,1]=4 2204 B12R1.125 O=C([O-])COc1ccccc1I 34a_100000739446_100020667443 [0,2,0,0,0,0|1,0,1]=4 2205 B12R1.125 O=C([O-])CSc1ccccc1Br 62a_100000695589_100020667443 [0,2,0,0,0,0|1,0,1]=4 2206 B12R1.125 O=C([O-])CSc1ccccc1Br 62a_100020667443_100000695589 [0,2,0,0,0,0|1,0,1]=4 2207 B12R1.125 O=C([O-])CSc1ccccc1Cl 62a_100000764095_100020667443 [0,2,0,0,0,0|1,0,1]=4 2208 B12R1.125 O=C([O-])CSc1ccccc1Cl 62a_100020667443_100000764095 [0,2,0,0,0,0|1,0,1]=4 2209 B12R1.125 O=C([O-])CSc1ccccc1F 62a_100011215700_100020667443 [0,2,0,0,0,0|1,0,1]=4 2210 B12R1.125 O=C([O-])CSc1ccccc1F 62a_100020667443_100011215700 [0,2,0,0,0,0|1,0,1]=4 2211 B12R1.125 O=C([O-])CSc1ccccc1O 62a_100000739446_100020667443 [0,2,0,0,0,0|1,0,1]=4 2212 B12R1.125 O=C([O-])CSc1ccccc1O 62a_100020667443_100000739446 [0,2,0,0,0,0|1,0,1]=4 2213 B12R1.125 [13CH3]C(=O)C#Cc1ccccc1F 1458a_100011892747_200025704644 [0,2,0,0,0,0|0,0,2]=4 2214 B12R1.125 [13CH3]C(=O)C=Cc1ccccc1Br 1458a_100000719032_200025704644 [0,2,0,0,0,0|0,0,0]=2 2215 B12R1.125 [13CH3]C(=O)C=Cc1ccccc1Cl 1458a_100000720304_200025704644 [0,2,0,0,0,0|0,0,0]=2 2216 B12R1.125 [13CH3]C(=O)C=Cc1ccccc1F 1458a_100016256065_200025704644 [0,2,0,0,0,0|0,0,0]=2 2217 B12R1.125 [13CH3]C(=O)C=Cc1ccccc1O 1458a_100016263591_200025704644 [0,2,0,0,0,0|0,0,0]=2 2218 B12R1.125 [13CH3]C(=O)CCc1ccccc1Br 1458a_100000740810_200025704644 [0,2,0,0,0,0|0,0,2]=4 2219 B12R1.125 [13CH3]C(=O)CCc1ccccc1Cl 1458a_100000184300_200025704644 [0,2,0,0,0,0|0,0,2]=4 2220 B12R1.125 [13CH3]C(=O)CCc1ccccc1F 1458a_100000189703_200025704644 [0,2,0,0,0,0|0,0,2]=4 2221 B12R1.125 [13CH3]C(=O)CCc1ccccc1I 1458a_100000037306_200025704644 [0,2,0,0,0,0|0,0,2]=4 2222 B12R1.125 [13CH3]C(=O)CCc1ccccc1O 1458a_100000181328_200025704644 [0,2,0,0,0,0|0,0,2]=4 2223 B12R1.125 [13CH3]C(=O)COc1ccccc1Br 1458a_100000216496_200025704644 [0,2,0,0,0,0|1,0,1]=4 2224 B12R1.125 [13CH3]C(=O)COc1ccccc1Cl 1458a_100000185159_200025704644 [0,2,0,0,0,0|1,0,1]=4 2225 B12R1.125 [13CH3]C(=O)COc1ccccc1F 1458a_100000182486_200025704644 [0,2,0,0,0,0|1,0,1]=4 2226 B12R1.125 [13CH3]C(=O)COc1ccccc1O 1458a_100000183020_200025704644 [0,2,0,0,0,0|1,0,1]=4 2227 B12R1.125 [13CH3]C(=O)CSc1ccccc1F 1458a_100000179528_200025704644 [0,2,0,0,0,0|1,0,1]=4 2228 B12R1.125 [13CH3]C(=O)CSc1ccccc1O 1458a_100000695322_200025704644 [0,2,0,0,0,0|1,0,1]=4 2229 B12R1.267 C/C=C/CNc1ccccc1Br 34a_100000210017_100102629194 [0,2,0,0,0,0|1,0,1]=4 2230 B12R1.267 C/C=C/CNc1ccccc1C 34a_100015192222_100102629194 [0,2,0,0,0,0|1,0,1]=4 2231 B12R1.267 C/C=C/CNc1ccccc1Cl 34a_100000185783_100102629194 [0,2,0,0,0,0|1,0,1]=4 2232 B12R1.267 C/C=C/CNc1ccccc1F 34a_100000210422_100102629194 [0,2,0,0,0,0|1,0,1]=4 2233 B12R1.267 C/C=C/CNc1ccccc1I 34a_100000210053_100102629194 [0,2,0,0,0,0|1,0,1]=4 2234 B12R1.267 C/C=C/CNc1ccccc1O 34a_100000185747_100102629194 [0,2,0,0,0,0|1,0,1]=4 2235 B12R1.267 C/C=C/COc1ccccc1Br 34a_100000181306_100102629194 [0,2,0,0,0,0|1,0,1]=4 2236 B12R1.267 C/C=C/COc1ccccc1Br 7a_100000181306_100102629194 [0,2,0,0,0,0|1,0,1]=4 2237 B12R1.267 C/C=C/COc1ccccc1C 34a_100000210338_100102629194 [0,2,0,0,0,0|1,0,1]=4 2238 B12R1.267 C/C=C/COc1ccccc1C 7a_100000210338_100102629194 [0,2,0,0,0,0|1,0,1]=4 2239 B12R1.267 C/C=C/COc1ccccc1Cl 34a_100000210172_100102629194 [0,2,0,0,0,0|1,0,1]=4 2240 B12R1.267 C/C=C/COc1ccccc1Cl 7a_100000210172_100102629194 [0,2,0,0,0,0|1,0,1]=4 2241 B12R1.267 C/C=C/COc1ccccc1F 34a_100000210171_100102629194 [0,2,0,0,0,0|1,0,1]=4 2242 B12R1.267 C/C=C/COc1ccccc1F 7a_100000210171_100102629194 [0,2,0,0,0,0|1,0,1]=4 2243 B12R1.267 C/C=C/COc1ccccc1I 34a_100000739446_100102629194 [0,2,0,0,0,0|1,0,1]=4 2244 B12R1.267 C/C=C/COc1ccccc1I 7a_100000739446_100102629194 [0,2,0,0,0,0|1,0,1]=4 2245 B12R1.267 C/C=C/COc1ccccc1N 34a_100000185747_100102629194 [0,2,0,0,0,0|1,0,1]=4 2246 B12R1.267 C/C=C/COc1ccccc1N 7a_100000185747_100102629194 [0,2,0,0,0,0|1,0,1]=4 2247 B12R1.267 C/C=C/CSc1ccccc1Br 62a_100000695589_100102629194 [0,2,0,0,0,0|1,0,1]=4 2248 B12R1.267 C/C=C/CSc1ccccc1Br 62a_100102629194_100000695589 [0,2,0,0,0,0|1,0,1]=4 2249 B12R1.267 C/C=C/CSc1ccccc1C 62a_100000210755_100102629194 [0,2,0,0,0,0|1,0,1]=4 2250 B12R1.267 C/C=C/CSc1ccccc1C 62a_100102629194_100000210755 [0,2,0,0,0,0|1,0,1]=4 2251 B12R1.267 C/C=C/CSc1ccccc1Cl 62a_100000764095_100102629194 [0,2,0,0,0,0|1,0,1]=4 2252 B12R1.267 C/C=C/CSc1ccccc1Cl 62a_100102629194_100000764095 [0,2,0,0,0,0|1,0,1]=4 2253 B12R1.267 C/C=C/CSc1ccccc1F 62a_100011215700_100102629194 [0,2,0,0,0,0|1,0,1]=4 2254 B12R1.267 C/C=C/CSc1ccccc1F 62a_100102629194_100011215700 [0,2,0,0,0,0|1,0,1]=4 2255 B12R1.267 C/C=C/CSc1ccccc1N 62a_100000210017_100102629194 [0,2,0,0,0,0|1,0,1]=4 2256 B12R1.267 C/C=C/CSc1ccccc1N 62a_100102629194_100000210017 [0,2,0,0,0,0|1,0,1]=4 2257 B12R1.267 C/C=C/CSc1ccccc1O 62a_100000739446_100102629194 [0,2,0,0,0,0|1,0,1]=4 2258 B12R1.267 C/C=C/CSc1ccccc1O 62a_100102629194_100000739446 [0,2,0,0,0,0|1,0,1]=4 2259 B12R1.267 CC=CCNc1ccccc1Br 34a_100000210017_100000070051 [0,2,0,0,0,0|1,0,1]=4 2260 B12R1.267 CC=CCNc1ccccc1C 34a_100015192222_100000070051 [0,2,0,0,0,0|1,0,1]=4 2261 B12R1.267 CC=CCNc1ccccc1Cl 34a_100000185783_100000070051 [0,2,0,0,0,0|1,0,1]=4 2262 B12R1.267 CC=CCNc1ccccc1F 34a_100000210422_100000070051 [0,2,0,0,0,0|1,0,1]=4 2263 B12R1.267 CC=CCNc1ccccc1I 34a_100000210053_100000070051 [0,2,0,0,0,0|1,0,1]=4 2264 B12R1.267 CC=CCNc1ccccc1O 34a_100000185747_100000070051 [0,2,0,0,0,0|1,0,1]=4 2265 B12R1.267 CC=CCOc1ccccc1Br 34a_100000181306_100000070051 [0,2,0,0,0,0|1,0,1]=4 2266 B12R1.267 CC=CCOc1ccccc1Br 7a_100000181306_100000070051 [0,2,0,0,0,0|1,0,1]=4 2267 B12R1.267 CC=CCOc1ccccc1C 34a_100000210338_100000070051 [0,2,0,0,0,0|1,0,1]=4 2268 B12R1.267 CC=CCOc1ccccc1C 7a_100000210338_100000070051 [0,2,0,0,0,0|1,0,1]=4 2269 B12R1.267 CC=CCOc1ccccc1Cl 34a_100000210172_100000070051 [0,2,0,0,0,0|1,0,1]=4 2270 B12R1.267 CC=CCOc1ccccc1Cl 7a_100000210172_100000070051 [0,2,0,0,0,0|1,0,1]=4 2271 B12R1.267 CC=CCOc1ccccc1F 34a_100000210171_100000070051 [0,2,0,0,0,0|1,0,1]=4 2272 B12R1.267 CC=CCOc1ccccc1F 7a_100000210171_100000070051 [0,2,0,0,0,0|1,0,1]=4 2273 B12R1.267 CC=CCOc1ccccc1I 34a_100000739446_100000070051 [0,2,0,0,0,0|1,0,1]=4 2274 B12R1.267 CC=CCOc1ccccc1I 7a_100000739446_100000070051 [0,2,0,0,0,0|1,0,1]=4 2275 B12R1.267 CC=CCOc1ccccc1N 34a_100000185747_100000070051 [0,2,0,0,0,0|1,0,1]=4 2276 B12R1.267 CC=CCOc1ccccc1N 7a_100000185747_100000070051 [0,2,0,0,0,0|1,0,1]=4 2277 B12R1.267 CC=CCSc1ccccc1Br 62a_100000070051_100000695589 [0,2,0,0,0,0|1,0,1]=4 2278 B12R1.267 CC=CCSc1ccccc1Br 62a_100000695589_100000070051 [0,2,0,0,0,0|1,0,1]=4 2279 B12R1.267 CC=CCSc1ccccc1C 62a_100000070051_100000210755 [0,2,0,0,0,0|1,0,1]=4 2280 B12R1.267 CC=CCSc1ccccc1C 62a_100000210755_100000070051 [0,2,0,0,0,0|1,0,1]=4 2281 B12R1.267 CC=CCSc1ccccc1Cl 62a_100000070051_100000764095 [0,2,0,0,0,0|1,0,1]=4 2282 B12R1.267 CC=CCSc1ccccc1Cl 62a_100000764095_100000070051 [0,2,0,0,0,0|1,0,1]=4 2283 B12R1.267 CC=CCSc1ccccc1F 62a_100000070051_100011215700 [0,2,0,0,0,0|1,0,1]=4 2284 B12R1.267 CC=CCSc1ccccc1F 62a_100011215700_100000070051 [0,2,0,0,0,0|1,0,1]=4 2285 B12R1.267 CC=CCSc1ccccc1N 62a_100000070051_100000210017 [0,2,0,0,0,0|1,0,1]=4 2286 B12R1.267 CC=CCSc1ccccc1N 62a_100000210017_100000070051 [0,2,0,0,0,0|1,0,1]=4 2287 B12R1.267 CC=CCSc1ccccc1O 62a_100000070051_100000739446 [0,2,0,0,0,0|1,0,1]=4 2288 B12R1.267 CC=CCSc1ccccc1O 62a_100000739446_100000070051 [0,2,0,0,0,0|1,0,1]=4 2289 B12R1.267 CCCC=Cc1ccccc1Br 271570a_100016258520_100000695589 [0,2,0,0,0,0|1,0,1]=4 2290 B12R1.267 CCCC=Cc1ccccc1C 271570a_100016258520_100000210755 [0,2,0,0,0,0|1,0,1]=4 2291 B12R1.267 CCCC=Cc1ccccc1Cl 271570a_100016258520_100000764095 [0,2,0,0,0,0|1,0,1]=4 2292 B12R1.267 CCCC=Cc1ccccc1F 271570a_100016258520_100011215700 [0,2,0,0,0,0|1,0,1]=4 2293 B12R1.267 CCCC=Cc1ccccc1N 271570a_100016258520_100000210017 [0,2,0,0,0,0|1,0,1]=4 2294 B12R1.267 CCCC=Cc1ccccc1O 271570a_100016258520_100000739446 [0,2,0,0,0,0|1,0,1]=4 2295 B12R1.267 CCOC=Cc1ccccc1Br 271570a_100016256518_100000695589 [0,2,0,0,0,0|1,0,1]=4 2296 B12R1.267 CCOC=Cc1ccccc1C 271570a_100016256518_100000210755 [0,2,0,0,0,0|1,0,1]=4 2297 B12R1.267 CCOC=Cc1ccccc1Cl 271570a_100016256518_100000764095 [0,2,0,0,0,0|1,0,1]=4 2298 B12R1.267 CCOC=Cc1ccccc1F 271570a_100016256518_100011215700 [0,2,0,0,0,0|1,0,1]=4 2299 B12R1.267 CCOC=Cc1ccccc1N 271570a_100016256518_100000210017 [0,2,0,0,0,0|1,0,1]=4 2300 B12R1.267 CCOC=Cc1ccccc1O 271570a_100016256518_100000739446 [0,2,0,0,0,0|1,0,1]=4 2301 B12R1.267 CNCC=Cc1ccccc1Br 270004a_106832991635_200016268969 [0,2,0,0,0,0|1,0,1]=4 2302 B12R1.267 CNCC=Cc1ccccc1Cl 270004a_106832991635_200102525841 [0,2,0,0,0,0|1,0,1]=4 2303 B12R1.267 CNCC=Cc1ccccc1F 270004a_106832991635_200102525844 [0,2,0,0,0,0|1,0,1]=4 2304 B12R1.267 COCC=Cc1ccccc1Br 271570a_100016286323_100000695589 [0,2,0,0,0,0|0,0,2]=4 2305 B12R1.267 COCC=Cc1ccccc1C 271570a_100016286323_100000210755 [0,2,0,0,0,0|0,0,2]=4 2306 B12R1.267 COCC=Cc1ccccc1Cl 271570a_100016286323_100000764095 [0,2,0,0,0,0|0,0,2]=4 2307 B12R1.267 COCC=Cc1ccccc1F 271570a_100016286323_100011215700 [0,2,0,0,0,0|0,0,2]=4 2308 B12R1.267 COCC=Cc1ccccc1N 271570a_100016286323_100000210017 [0,2,0,0,0,0|0,0,2]=4 2309 B12R1.267 COCC=Cc1ccccc1O 271570a_100016286323_100000739446 [0,2,0,0,0,0|0,0,2]=4 2310 B12R1.267 Cc1ccccc1CNCC=O 34a_100000174972_200009817547 [0,2,0,0,0,0|0,0,2]=4 2311 B12R1.267 Cc1ccccc1COCC=O 34a_100000698903_200009817547 [0,2,0,0,0,0|0,0,2]=4 2312 B12R1.267 Cc1ccccc1COCC=O 7a_100000698903_200015260668 [0,2,0,0,0,0|0,0,2]=4 2313 B12R1.267 Cc1ccccc1CSCC=O 62a_100000211839_200015260668 [0,2,0,0,0,0|0,0,2]=4 2314 B12R1.267 Cc1ccccc1CSCC=O 62a_200015260668_100000211839 [0,2,0,0,0,0|0,0,2]=4 2315 B12R1.267 Nc1ccccc1COCC=O 34a_100000212039_200009817547 [0,2,0,0,0,0|0,0,2]=4 2316 B12R1.267 O=CCNCc1ccccc1Br 2230a_100000689332_200015260668 [0,2,0,0,0,0|0,0,2]=4 2317 B12R1.267 O=CCNCc1ccccc1Br 34a_100000689332_200009817547 [0,2,0,0,0,0|0,0,2]=4 2318 B12R1.267 O=CCNCc1ccccc1Cl 2230a_100000174879_200015260668 [0,2,0,0,0,0|0,0,2]=4 2319 B12R1.267 O=CCNCc1ccccc1Cl 34a_100000174879_200009817547 [0,2,0,0,0,0|0,0,2]=4 2320 B12R1.267 O=CCNCc1ccccc1F 34a_100000174869_200009817547 [0,2,0,0,0,0|0,0,2]=4 2321 B12R1.267 O=CCNCc1ccccc1O 34a_100000185550_200009817547 [0,2,0,0,0,0|0,0,2]=4 2322 B12R1.267 O=CCOCc1ccccc1Br 34a_100000756307_200009817547 [0,2,0,0,0,0|0,0,2]=4 2323 B12R1.267 O=CCOCc1ccccc1Br 7a_100000756307_200015260668 [0,2,0,0,0,0|0,0,2]=4 2324 B12R1.267 O=CCOCc1ccccc1Cl 34a_100000210847_200009817547 [0,2,0,0,0,0|0,0,2]=4 2325 B12R1.267 O=CCOCc1ccccc1Cl 7a_100000210847_200015260668 [0,2,0,0,0,0|0,0,2]=4 2326 B12R1.267 O=CCOCc1ccccc1F 34a_100000211962_200009817547 [0,2,0,0,0,0|0,0,2]=4 2327 B12R1.267 O=CCOCc1ccccc1F 7a_100000211962_200015260668 [0,2,0,0,0,0|0,0,2]=4 2328 B12R1.267 O=CCOCc1ccccc1I 34a_100000187465_200009817547 [0,2,0,0,0,0|0,0,2]=4 2329 B12R1.267 O=CCOCc1ccccc1I 7a_100000187465_200015260668 [0,2,0,0,0,0|0,0,2]=4 2330 B12R1.267 O=CCSCc1ccccc1Br 62a_100000184730_200015260668 [0,2,0,0,0,0|0,0,2]=4 2331 B12R1.267 O=CCSCc1ccccc1Br 62a_200015260668_100000184730 [0,2,0,0,0,0|0,0,2]=4 2332 B12R1.267 O=CCSCc1ccccc1Cl 62a_100000187162_200015260668 [0,2,0,0,0,0|0,0,2]=4 2333 B12R1.267 O=CCSCc1ccccc1Cl 62a_200015260668_100000187162 [0,2,0,0,0,0|0,0,2]=4 2334 B12R1.267 O=CCSCc1ccccc1F 62a_100000211605_200015260668 [0,2,0,0,0,0|0,0,2]=4 2335 B12R1.267 O=CCSCc1ccccc1F 62a_200015260668_100000211605 [0,2,0,0,0,0|0,0,2]=4 2336 B12R1.267 O=CCSCc1ccccc1I 62a_100011216222_200015260668 [0,2,0,0,0,0|0,0,2]=4 2337 B12R1.267 O=CCSCc1ccccc1I 62a_200015260668_100011216222 [0,2,0,0,0,0|0,0,2]=4 2338 B12R1.371 C=CC(=O)Cc1ccccc1Br 1458a_100000185746_100000184730 [0,2,0,0,0,0|1,0,1]=4 2339 B12R1.371 C=CC(=O)Cc1ccccc1C 1458a_100000185746_100000211839 [0,2,0,0,0,0|1,0,1]=4 2340 B12R1.371 C=CC(=O)Cc1ccccc1Cl 1458a_100000185746_100000187162 [0,2,0,0,0,0|1,0,1]=4 2341 B12R1.371 C=CC(=O)Cc1ccccc1F 1458a_100000185746_100000187165 [0,2,0,0,0,0|1,0,1]=4 2342 B12R1.371 C=CC(=O)Cc1ccccc1I 1458a_100000185746_100011216222 [0,2,0,0,0,0|1,0,1]=4 2343 B12R1.371 C=CC(=O)Nc1ccccc1Br 1626a_100000210017_100000185746 [0,2,0,0,0,0|2,0,0]=4 2344 B12R1.371 C=CC(=O)Nc1ccccc1C 1626a_100015192222_100000185746 [0,2,0,0,0,0|2,0,0]=4 2345 B12R1.371 C=CC(=O)Nc1ccccc1C 22a_100015192222_100000185746 [0,2,0,0,0,0|2,0,0]=4 2346 B12R1.371 C=CC(=O)Nc1ccccc1Cl 1626a_100000185783_100000185746 [0,2,0,0,0,0|2,0,0]=4 2347 B12R1.371 C=CC(=O)Nc1ccccc1Cl 22a_100000185783_100000185746 [0,2,0,0,0,0|2,0,0]=4 2348 B12R1.371 C=CC(=O)Nc1ccccc1F 1626a_100000210422_100000185746 [0,2,0,0,0,0|2,0,0]=4 2349 B12R1.371 C=CC(=O)Nc1ccccc1F 22a_100000210422_100000185746 [0,2,0,0,0,0|2,0,0]=4 2350 B12R1.371 C=CC(=O)Nc1ccccc1I 1626a_100000210053_100000185746 [0,2,0,0,0,0|2,0,0]=4 2351 B12R1.371 C=CC(=O)Nc1ccccc1O 22a_100000185747_100000185746 [0,2,0,0,0,0|2,0,0]=4 2352 B12R1.374 Cc1ccc(c(c1)NCC=O)Br 34a_100000745044_200009817547 [0,2,0,0,0,0|1,0,1]=4 2353 B12R1.374 Cc1ccc(c(c1)NCC=O)C 2230a_100000185781_200015260668 [0,2,0,0,0,0|1,0,1]=4 2354 B12R1.374 Cc1ccc(c(c1)NCC=O)C 34a_100000185781_200009817547 [0,2,0,0,0,0|1,0,1]=4 2355 B12R1.374 Cc1ccc(c(c1)NCC=O)C 7a_100000185781_200015260668 [0,2,0,0,0,0|1,0,1]=4 2356 B12R1.374 Cc1ccc(c(c1)NCC=O)Cl 34a_100011215360_200009817547 [0,2,0,0,0,0|1,0,1]=4 2357 B12R1.374 Cc1ccc(c(c1)NCC=O)F 34a_100000211285_200009817547 [0,2,0,0,0,0|1,0,1]=4 2358 B12R1.374 Cc1ccc(c(c1)NCC=O)I 34a_100011216686_200009817547 [0,2,0,0,0,0|1,0,1]=4 2359 B12R1.374 Cc1ccc(c(c1)NCC=O)O 34a_100011215204_200009817547 [0,2,0,0,0,0|1,0,1]=4 2360 B12R1.374 Cc1ccc(c(c1)OCC=O)Br 34a_100012002257_200009817547 [0,2,0,0,0,0|1,0,1]=4 2361 B12R1.374 Cc1ccc(c(c1)OCC=O)Br 7a_100012002257_200015260668 [0,2,0,0,0,0|1,0,1]=4 2362 B12R1.374 Cc1ccc(c(c1)OCC=O)C 34a_100000210931_200009817547 [0,2,0,0,0,0|1,0,1]=4 2363 B12R1.374 Cc1ccc(c(c1)OCC=O)C 7a_100000210931_200015260668 [0,2,0,0,0,0|1,0,1]=4 2364 B12R1.374 Cc1ccc(c(c1)OCC=O)Cl 34a_100000211493_200009817547 [0,2,0,0,0,0|1,0,1]=4 2365 B12R1.374 Cc1ccc(c(c1)OCC=O)Cl 7a_100000211493_200015260668 [0,2,0,0,0,0|1,0,1]=4 2366 B12R1.374 Cc1ccc(c(c1)OCC=O)F 34a_100000759540_200009817547 [0,2,0,0,0,0|1,0,1]=4 2367 B12R1.374 Cc1ccc(c(c1)OCC=O)F 7a_100000759540_200015260668 [0,2,0,0,0,0|1,0,1]=4 2368 B12R1.374 Cc1ccc(c(c1)OCC=O)N 34a_100000211527_200009817547 [0,2,0,0,0,0|1,0,1]=4 2369 B12R1.374 Cc1ccc(c(c1)OCC=O)N 7a_100000211527_200015260668 [0,2,0,0,0,0|1,0,1]=4 2370 B12R1.374 Cc1ccc(c(c1)SCC=O)Br 62a_100012353751_200015260668 [0,2,0,0,0,0|1,0,1]=4 2371 B12R1.374 Cc1ccc(c(c1)SCC=O)Br 62a_200015260668_100012353751 [0,2,0,0,0,0|1,0,1]=4 2372 B12R1.374 Cc1ccc(c(c1)SCC=O)C 62a_100000210833_200015260668 [0,2,0,0,0,0|1,0,1]=4 2373 B12R1.374 Cc1ccc(c(c1)SCC=O)C 62a_200015260668_100000210833 [0,2,0,0,0,0|1,0,1]=4 2374 B12R1.374 Cc1ccc(c(c1)SCC=O)Cl 62a_100012356289_200015260668 [0,2,0,0,0,0|1,0,1]=4 2375 B12R1.374 Cc1ccc(c(c1)SCC=O)Cl 62a_200015260668_100012356289 [0,2,0,0,0,0|1,0,1]=4 2376 B12R1.374 Cc1ccc(c(c1)SCC=O)F 62a_100000736223_200015260668 [0,2,0,0,0,0|1,0,1]=4 2377 B12R1.374 Cc1ccc(c(c1)SCC=O)F 62a_200015260668_100000736223 [0,2,0,0,0,0|1,0,1]=4 2378 B12R1.374 Cc1ccc(c(c1)SCC=O)N 62a_100011356834_200015260668 [0,2,0,0,0,0|1,0,1]=4 2379 B12R1.374 Cc1ccc(c(c1)SCC=O)N 62a_200015260668_100011356834 [0,2,0,0,0,0|1,0,1]=4 2380 B12R1.374 Cc1ccc(c(c1)SCC=O)O 62a_100000765521_200015260668 [0,2,0,0,0,0|1,0,1]=4 2381 B12R1.374 Cc1ccc(c(c1)SCC=O)O 62a_200015260668_100000765521 [0,2,0,0,0,0|1,0,1]=4 2382 B12R1.374 Cc1ccc(cc1NCC=O)Br 34a_100000741167_200009817547 [0,2,0,0,0,0|1,0,1]=4 2383 B12R1.374 Cc1ccc(cc1NCC=O)Br 7a_100000741167_200015260668 [0,2,0,0,0,0|1,0,1]=4 2384 B12R1.374 Cc1ccc(cc1NCC=O)Cl 34a_100000211374_200009817547 [0,2,0,0,0,0|1,0,1]=4 2385 B12R1.374 Cc1ccc(cc1NCC=O)Cl 7a_100000211374_200015260668 [0,2,0,0,0,0|1,0,1]=4 2386 B12R1.374 Cc1ccc(cc1NCC=O)F 34a_100000211107_200009817547 [0,2,0,0,0,0|1,0,1]=4 2387 B12R1.374 Cc1ccc(cc1NCC=O)F 7a_100000211107_200015260668 [0,2,0,0,0,0|1,0,1]=4 2388 B12R1.374 Cc1ccc(cc1NCC=O)I 7a_100000761890_200015260668 [0,2,0,0,0,0|1,0,1]=4 2389 B12R1.374 Cc1ccc(cc1NCC=O)O 34a_100011216113_200009817547 [0,2,0,0,0,0|1,0,1]=4 2390 B12R1.374 Cc1ccc(cc1OCC=O)Br 34a_100000685420_200009817547 [0,2,0,0,0,0|1,0,1]=4 2391 B12R1.374 Cc1ccc(cc1OCC=O)Br 7a_100000685420_200015260668 [0,2,0,0,0,0|1,0,1]=4 2392 B12R1.374 Cc1ccc(cc1OCC=O)Cl 34a_100000756515_200009817547 [0,2,0,0,0,0|1,0,1]=4 2393 B12R1.374 Cc1ccc(cc1OCC=O)Cl 7a_100000756515_200015260668 [0,2,0,0,0,0|1,0,1]=4 2394 B12R1.374 Cc1ccc(cc1OCC=O)F 34a_100000690566_200009817547 [0,2,0,0,0,0|1,0,1]=4 2395 B12R1.374 Cc1ccc(cc1OCC=O)F 7a_100000690566_200015260668 [0,2,0,0,0,0|1,0,1]=4 2396 B12R1.374 Cc1ccc(cc1OCC=O)I 7a_100000766334_200015260668 [0,2,0,0,0,0|1,0,1]=4 2397 B12R1.374 Cc1ccc(cc1OCC=O)N 34a_100000759471_200009817547 [0,2,0,0,0,0|1,0,1]=4 2398 B12R1.374 Cc1ccc(cc1OCC=O)N 7a_100000759471_200015260668 [0,2,0,0,0,0|1,0,1]=4 2399 B12R1.374 Cc1ccc(cc1SCC=O)Br 62a_100011344865_200015260668 [0,2,0,0,0,0|1,0,1]=4 2400 B12R1.374 Cc1ccc(cc1SCC=O)Br 62a_200015260668_100011344865 [0,2,0,0,0,0|1,0,1]=4 2401 B12R1.374 Cc1ccc(cc1SCC=O)Cl 62a_100011263213_200015260668 [0,2,0,0,0,0|1,0,1]=4 2402 B12R1.374 Cc1ccc(cc1SCC=O)Cl 62a_200015260668_100011263213 [0,2,0,0,0,0|1,0,1]=4 2403 B12R1.374 Cc1ccc(cc1SCC=O)F 62a_100011218078_200015260668 [0,2,0,0,0,0|1,0,1]=4 2404 B12R1.374 Cc1ccc(cc1SCC=O)F 62a_200015260668_100011218078 [0,2,0,0,0,0|1,0,1]=4 2405 B12R1.374 Cc1ccc(cc1SCC=O)N 62a_100000736455_200015260668 [0,2,0,0,0,0|1,0,1]=4 2406 B12R1.374 Cc1ccc(cc1SCC=O)N 62a_200015260668_100000736455 [0,2,0,0,0,0|1,0,1]=4 2407 B12R1.374 Cc1ccc(cc1SCC=O)O 62a_100011380479_200015260668 [0,2,0,0,0,0|1,0,1]=4 2408 B12R1.374 Cc1ccc(cc1SCC=O)O 62a_200015260668_100011380479 [0,2,0,0,0,0|1,0,1]=4 2409 B12R1.374 Nc1ccc(c(c1)OCC=O)Cl 34a_100011934209_200009817547 [0,2,0,0,0,0|1,0,1]=4 2410 B12R1.374 Nc1ccc(c(c1)OCC=O)F 34a_100012017398_200009817547 [0,2,0,0,0,0|1,0,1]=4 2411 B12R1.374 Nc1ccc(c(c1)OCC=O)F 7a_100012017398_200015260668 [0,2,0,0,0,0|1,0,1]=4 2412 B12R1.374 Nc1ccc(c(c1)OCC=O)N 34a_100025717382_200009817547 [0,2,0,0,0,0|1,0,1]=4 2413 B12R1.374 Nc1ccc(c(c1)SCC=O)Br 62a_100000750459_200015260668 [0,2,0,0,0,0|1,0,1]=4 2414 B12R1.374 Nc1ccc(c(c1)SCC=O)Br 62a_200015260668_100000750459 [0,2,0,0,0,0|1,0,1]=4 2415 B12R1.374 Nc1ccc(c(c1)SCC=O)Cl 62a_100012360549_200015260668 [0,2,0,0,0,0|1,0,1]=4 2416 B12R1.374 Nc1ccc(c(c1)SCC=O)Cl 62a_200015260668_100012360549 [0,2,0,0,0,0|1,0,1]=4 2417 B12R1.374 Nc1ccc(c(c1)SCC=O)F 62a_100000760356_200015260668 [0,2,0,0,0,0|1,0,1]=4 2418 B12R1.374 Nc1ccc(c(c1)SCC=O)F 62a_200015260668_100000760356 [0,2,0,0,0,0|1,0,1]=4 2419 B12R1.374 Nc1ccc(c(c1)SCC=O)N 62a_100011534242_200015260668 [0,2,0,0,0,0|1,0,1]=4 2420 B12R1.374 Nc1ccc(c(c1)SCC=O)N 62a_200015260668_100011534242 [0,2,0,0,0,0|1,0,1]=4 2421 B12R1.374 Nc1ccc(c(c1)SCC=O)O 62a_100011534360_200015260668 [0,2,0,0,0,0|1,0,1]=4 2422 B12R1.374 Nc1ccc(c(c1)SCC=O)O 62a_200015260668_100011534360 [0,2,0,0,0,0|1,0,1]=4 2423 B12R1.374 Nc1ccc(cc1OCC=O)Br 34a_100000739049_200009817547 [0,2,0,0,0,0|1,0,1]=4 2424 B12R1.374 Nc1ccc(cc1OCC=O)Br 7a_100000739049_200015260668 [0,2,0,0,0,0|1,0,1]=4 2425 B12R1.374 Nc1ccc(cc1OCC=O)Cl 34a_100000185728_200009817547 [0,2,0,0,0,0|1,0,1]=4 2426 B12R1.374 Nc1ccc(cc1OCC=O)Cl 7a_100000185728_200015260668 [0,2,0,0,0,0|1,0,1]=4 2427 B12R1.374 Nc1ccc(cc1OCC=O)F 34a_100000753323_200009817547 [0,2,0,0,0,0|1,0,1]=4 2428 B12R1.374 Nc1ccc(cc1OCC=O)F 7a_100000753323_200015260668 [0,2,0,0,0,0|1,0,1]=4 2429 B12R1.374 Nc1ccc(cc1OCC=O)I 34a_100000057187_200009817547 [0,2,0,0,0,0|1,0,1]=4 2430 B12R1.374 Nc1ccc(cc1OCC=O)I 7a_100000057187_200015260668 [0,2,0,0,0,0|1,0,1]=4 2431 B12R1.374 Nc1ccc(cc1SCC=O)Br 62a_100000187925_200015260668 [0,2,0,0,0,0|1,0,1]=4 2432 B12R1.374 Nc1ccc(cc1SCC=O)Br 62a_200015260668_100000187925 [0,2,0,0,0,0|1,0,1]=4 2433 B12R1.374 Nc1ccc(cc1SCC=O)Cl 62a_100000761889_200015260668 [0,2,0,0,0,0|1,0,1]=4 2434 B12R1.374 Nc1ccc(cc1SCC=O)Cl 62a_200015260668_100000761889 [0,2,0,0,0,0|1,0,1]=4 2435 B12R1.374 Nc1ccc(cc1SCC=O)F 62a_100000760547_200015260668 [0,2,0,0,0,0|1,0,1]=4 2436 B12R1.374 Nc1ccc(cc1SCC=O)F 62a_200015260668_100000760547 [0,2,0,0,0,0|1,0,1]=4 2437 B12R1.374 Nc1ccc(cc1SCC=O)O 62a_100012001276_200015260668 [0,2,0,0,0,0|1,0,1]=4 2438 B12R1.374 Nc1ccc(cc1SCC=O)O 62a_200015260668_100012001276 [0,2,0,0,0,0|1,0,1]=4 2439 B12R1.374 O=CCNc1cc(ccc1Br)Br 34a_100000737762_200009817547 [0,2,0,0,0,0|1,0,1]=4 2440 B12R1.374 O=CCNc1cc(ccc1Br)Cl 34a_100000687073_200009817547 [0,2,0,0,0,0|1,0,1]=4 2441 B12R1.374 O=CCNc1cc(ccc1Br)F 34a_100000687223_200009817547 [0,2,0,0,0,0|1,0,1]=4 2442 B12R1.374 O=CCNc1cc(ccc1Br)O 34a_100011999798_200009817547 [0,2,0,0,0,0|1,0,1]=4 2443 B12R1.374 O=CCNc1cc(ccc1Cl)Br 34a_100000750497_200009817547 [0,2,0,0,0,0|1,0,1]=4 2444 B12R1.374 O=CCNc1cc(ccc1Cl)Cl 34a_100000184485_200009817547 [0,2,0,0,0,0|1,0,1]=4 2445 B12R1.374 O=CCNc1cc(ccc1Cl)F 34a_100000751338_200009817547 [0,2,0,0,0,0|1,0,1]=4 2446 B12R1.374 O=CCNc1cc(ccc1Cl)I 34a_200000761891_200009817547 [0,2,0,0,0,0|1,0,1]=4 2447 B12R1.374 O=CCNc1cc(ccc1Cl)O 34a_100011934297_200009817547 [0,2,0,0,0,0|1,0,1]=4 2448 B12R1.374 O=CCNc1cc(ccc1F)Br 34a_100000740924_200009817547 [0,2,0,0,0,0|1,0,1]=4 2449 B12R1.374 O=CCNc1cc(ccc1F)Cl 34a_100000212115_200009817547 [0,2,0,0,0,0|1,0,1]=4 2450 B12R1.374 O=CCNc1cc(ccc1F)F 34a_100000210742_200009817547 [0,2,0,0,0,0|1,0,1]=4 2451 B12R1.374 O=CCNc1cc(ccc1F)I 34a_100011464823_200009817547 [0,2,0,0,0,0|1,0,1]=4 2452 B12R1.374 O=CCNc1cc(ccc1F)O 34a_100012017239_200009817547 [0,2,0,0,0,0|1,0,1]=4 2453 B12R1.374 O=CCNc1cc(ccc1I)Br 34a_100000743836_200009817547 [0,2,0,0,0,0|1,0,1]=4 2454 B12R1.374 O=CCNc1cc(ccc1I)Cl 34a_100000761886_200009817547 [0,2,0,0,0,0|1,0,1]=4 2455 B12R1.374 O=CCNc1cc(ccc1I)F 34a_100011218093_200009817547 [0,2,0,0,0,0|1,0,1]=4 2456 B12R1.374 O=CCNc1cc(ccc1O)Br 34a_100000752626_200009817547 [0,2,0,0,0,0|1,0,1]=4 2457 B12R1.374 O=CCNc1cc(ccc1O)Cl 34a_100000210500_200009817547 [0,2,0,0,0,0|1,0,1]=4 2458 B12R1.374 O=CCNc1cc(ccc1O)F 34a_100000759472_200009817547 [0,2,0,0,0,0|1,0,1]=4 2459 B12R1.374 O=CCOc1cc(ccc1Br)Br 34a_100011220040_200009817547 [0,2,0,0,0,0|1,0,1]=4 2460 B12R1.374 O=CCOc1cc(ccc1Br)Br 7a_100011220040_200015260668 [0,2,0,0,0,0|1,0,1]=4 2461 B12R1.374 O=CCOc1cc(ccc1Br)Cl 34a_100012339455_200009817547 [0,2,0,0,0,0|1,0,1]=4 2462 B12R1.374 O=CCOc1cc(ccc1Br)Cl 7a_100012339455_200015260668 [0,2,0,0,0,0|1,0,1]=4 2463 B12R1.374 O=CCOc1cc(ccc1Br)F 34a_100000690578_200009817547 [0,2,0,0,0,0|1,0,1]=4 2464 B12R1.374 O=CCOc1cc(ccc1Br)F 7a_100000690578_200015260668 [0,2,0,0,0,0|1,0,1]=4 2465 B12R1.374 O=CCOc1cc(ccc1Br)I 34a_100012356990_200009817547 [0,2,0,0,0,0|1,0,1]=4 2466 B12R1.374 O=CCOc1cc(ccc1Br)I 7a_100012356990_200015260668 [0,2,0,0,0,0|1,0,1]=4 2467 B12R1.374 O=CCOc1cc(ccc1Cl)Br 34a_100000738945_200009817547 [0,2,0,0,0,0|1,0,1]=4 2468 B12R1.374 O=CCOc1cc(ccc1Cl)Br 7a_100000738945_200015260668 [0,2,0,0,0,0|1,0,1]=4 2469 B12R1.374 O=CCOc1cc(ccc1Cl)Cl 34a_100000211422_200009817547 [0,2,0,0,0,0|1,0,1]=4 2470 B12R1.374 O=CCOc1cc(ccc1Cl)Cl 7a_100000211422_200015260668 [0,2,0,0,0,0|1,0,1]=4 2471 B12R1.374 O=CCOc1cc(ccc1Cl)F 34a_100000692107_200009817547 [0,2,0,0,0,0|1,0,1]=4 2472 B12R1.374 O=CCOc1cc(ccc1Cl)F 7a_100000692107_200015260668 [0,2,0,0,0,0|1,0,1]=4 2473 B12R1.374 O=CCOc1cc(ccc1Cl)I 34a_100011356854_200009817547 [0,2,0,0,0,0|1,0,1]=4 2474 B12R1.374 O=CCOc1cc(ccc1Cl)I 7a_100011356854_200015260668 [0,2,0,0,0,0|1,0,1]=4 2475 B12R1.374 O=CCOc1cc(ccc1F)Br 34a_100000686035_200009817547 [0,2,0,0,0,0|1,0,1]=4 2476 B12R1.374 O=CCOc1cc(ccc1F)Br 7a_100000686035_200015260668 [0,2,0,0,0,0|1,0,1]=4 2477 B12R1.374 O=CCOc1cc(ccc1F)Cl 34a_100000757397_200009817547 [0,2,0,0,0,0|1,0,1]=4 2478 B12R1.374 O=CCOc1cc(ccc1F)Cl 7a_100000757397_200015260668 [0,2,0,0,0,0|1,0,1]=4 2479 B12R1.374 O=CCOc1cc(ccc1F)F 34a_100000752141_200009817547 [0,2,0,0,0,0|1,0,1]=4 2480 B12R1.374 O=CCOc1cc(ccc1F)F 7a_100000752141_200015260668 [0,2,0,0,0,0|1,0,1]=4 2481 B12R1.374 O=CCOc1cc(ccc1F)I 34a_100009958187_200009817547 [0,2,0,0,0,0|1,0,1]=4 2482 B12R1.374 O=CCOc1cc(ccc1F)I 7a_100009958187_200015260668 [0,2,0,0,0,0|1,0,1]=4 2483 B12R1.374 O=CCOc1cc(ccc1I)Br 34a_100012344904_200009817547 [0,2,0,0,0,0|1,0,1]=4 2484 B12R1.374 O=CCOc1cc(ccc1I)Br 7a_100012344904_200015260668 [0,2,0,0,0,0|1,0,1]=4 2485 B12R1.374 O=CCOc1cc(ccc1I)Cl 34a_100000050036_200009817547 [0,2,0,0,0,0|1,0,1]=4 2486 B12R1.374 O=CCOc1cc(ccc1I)Cl 7a_100000050036_200015260668 [0,2,0,0,0,0|1,0,1]=4 2487 B12R1.374 O=CCOc1cc(ccc1I)F 34a_100010084537_200009817547 [0,2,0,0,0,0|1,0,1]=4 2488 B12R1.374 O=CCOc1cc(ccc1I)F 7a_100010084537_200015260668 [0,2,0,0,0,0|1,0,1]=4 2489 B12R1.374 O=CCSc1cc(ccc1Br)Br 62a_100011483371_200015260668 [0,2,0,0,0,0|1,0,1]=4 2490 B12R1.374 O=CCSc1cc(ccc1Br)Br 62a_200015260668_100011483371 [0,2,0,0,0,0|1,0,1]=4 2491 B12R1.374 O=CCSc1cc(ccc1Br)Cl 62a_100012339723_200015260668 [0,2,0,0,0,0|1,0,1]=4 2492 B12R1.374 O=CCSc1cc(ccc1Br)Cl 62a_200015260668_100012339723 [0,2,0,0,0,0|1,0,1]=4 2493 B12R1.374 O=CCSc1cc(ccc1Br)F 62a_100011217576_200015260668 [0,2,0,0,0,0|1,0,1]=4 2494 B12R1.374 O=CCSc1cc(ccc1Br)F 62a_200015260668_100011217576 [0,2,0,0,0,0|1,0,1]=4 2495 B12R1.374 O=CCSc1cc(ccc1Br)O 62a_100012339312_200015260668 [0,2,0,0,0,0|1,0,1]=4 2496 B12R1.374 O=CCSc1cc(ccc1Br)O 62a_200015260668_100012339312 [0,2,0,0,0,0|1,0,1]=4 2497 B12R1.374 O=CCSc1cc(ccc1Cl)Br 62a_100011772130_200015260668 [0,2,0,0,0,0|1,0,1]=4 2498 B12R1.374 O=CCSc1cc(ccc1Cl)Br 62a_200015260668_100011772130 [0,2,0,0,0,0|1,0,1]=4 2499 B12R1.374 O=CCSc1cc(ccc1Cl)Cl 62a_100000707729_200015260668 [0,2,0,0,0,0|1,0,1]=4 2500 B12R1.374 O=CCSc1cc(ccc1Cl)Cl 62a_200015260668_100000707729 [0,2,0,0,0,0|1,0,1]=4 2501 B12R1.374 O=CCSc1cc(ccc1Cl)F 62a_100011217299_200015260668 [0,2,0,0,0,0|1,0,1]=4 2502 B12R1.374 O=CCSc1cc(ccc1Cl)F 62a_200015260668_100011217299 [0,2,0,0,0,0|1,0,1]=4 2503 B12R1.374 O=CCSc1cc(ccc1Cl)O 62a_100000049588_200015260668 [0,2,0,0,0,0|1,0,1]=4 2504 B12R1.374 O=CCSc1cc(ccc1Cl)O 62a_200015260668_100000049588 [0,2,0,0,0,0|1,0,1]=4 2505 B12R1.374 O=CCSc1cc(ccc1F)Br 62a_100011217312_200015260668 [0,2,0,0,0,0|1,0,1]=4 2506 B12R1.374 O=CCSc1cc(ccc1F)Br 62a_200015260668_100011217312 [0,2,0,0,0,0|1,0,1]=4 2507 B12R1.374 O=CCSc1cc(ccc1F)Cl 62a_100011218116_200015260668 [0,2,0,0,0,0|1,0,1]=4 2508 B12R1.374 O=CCSc1cc(ccc1F)Cl 62a_200015260668_100011218116 [0,2,0,0,0,0|1,0,1]=4 2509 B12R1.374 O=CCSc1cc(ccc1F)F 62a_100011219198_200015260668 [0,2,0,0,0,0|1,0,1]=4 2510 B12R1.374 O=CCSc1cc(ccc1F)F 62a_200015260668_100011219198 [0,2,0,0,0,0|1,0,1]=4 2511 B12R1.374 O=CCSc1cc(ccc1F)O 62a_100000693481_200015260668 [0,2,0,0,0,0|1,0,1]=4 2512 B12R1.374 O=CCSc1cc(ccc1F)O 62a_200015260668_100000693481 [0,2,0,0,0,0|1,0,1]=4 2513 B12R1.374 O=CCSc1cc(ccc1O)Br 62a_100012355227_200015260668 [0,2,0,0,0,0|1,0,1]=4 2514 B12R1.374 O=CCSc1cc(ccc1O)Br 62a_200015260668_100012355227 [0,2,0,0,0,0|1,0,1]=4 2515 B12R1.374 O=CCSc1cc(ccc1O)Cl 62a_100011356953_200015260668 [0,2,0,0,0,0|1,0,1]=4 2516 B12R1.374 O=CCSc1cc(ccc1O)Cl 62a_200015260668_100011356953 [0,2,0,0,0,0|1,0,1]=4 2517 B12R1.374 O=CCSc1cc(ccc1O)F 62a_100000211999_200015260668 [0,2,0,0,0,0|1,0,1]=4 2518 B12R1.374 O=CCSc1cc(ccc1O)F 62a_200015260668_100000211999 [0,2,0,0,0,0|1,0,1]=4 2519 B12R1.374 O=CCSc1cc(ccc1O)O 62a_200015260668_100009813629 [0,2,0,0,0,0|1,0,1]=4 2520 B12R1.1631 Cc1cccc(c1NCC=O)Br 34a_100011834072_200009817547 [0,2,0,0,0,0|1,0,1]=4 2521 B12R1.1631 Cc1cccc(c1NCC=O)C 34a_100000185769_200009817547 [0,2,0,0,0,0|1,0,1]=4 2522 B12R1.1631 Cc1cccc(c1NCC=O)Cl 34a_100000756524_200009817547 [0,2,0,0,0,0|1,0,1]=4 2523 B12R1.1631 Cc1cccc(c1NCC=O)F 34a_100000766463_200009817547 [0,2,0,0,0,0|1,0,1]=4 2524 B12R1.1631 Cc1cccc(c1NCC=O)O 34a_100000743429_200009817547 [0,2,0,0,0,0|1,0,1]=4 2525 B12R1.1631 Cc1cccc(c1OCC=O)Br 34a_100009817157_200009817547 [0,2,0,0,0,0|1,0,1]=4 2526 B12R1.1631 Cc1cccc(c1OCC=O)Br 7a_100009817157_200015260668 [0,2,0,0,0,0|1,0,1]=4 2527 B12R1.1631 Cc1cccc(c1OCC=O)C 34a_100000210341_200009817547 [0,2,0,0,0,0|1,0,1]=4 2528 B12R1.1631 Cc1cccc(c1OCC=O)C 7a_100000210341_200015260668 [0,2,0,0,0,0|1,0,1]=4 2529 B12R1.1631 Cc1cccc(c1OCC=O)Cl 34a_100000033731_200009817547 [0,2,0,0,0,0|1,0,1]=4 2530 B12R1.1631 Cc1cccc(c1OCC=O)Cl 7a_100000033731_200015260668 [0,2,0,0,0,0|1,0,1]=4 2531 B12R1.1631 Cc1cccc(c1OCC=O)F 34a_100011659162_200009817547 [0,2,0,0,0,0|1,0,1]=4 2532 B12R1.1631 Cc1cccc(c1OCC=O)F 7a_100011659162_200015260668 [0,2,0,0,0,0|1,0,1]=4 2533 B12R1.1631 Cc1cccc(c1OCC=O)N 34a_100000756359_200009817547 [0,2,0,0,0,0|1,0,1]=4 2534 B12R1.1631 Cc1cccc(c1OCC=O)N 7a_100000756359_200015260668 [0,2,0,0,0,0|1,0,1]=4 2535 B12R1.1631 Cc1cccc(c1SCC=O)Br 62a_100010141302_200015260668 [0,2,0,0,0,0|1,0,1]=4 2536 B12R1.1631 Cc1cccc(c1SCC=O)Br 62a_200015260668_100010141302 [0,2,0,0,0,0|1,0,1]=4 2537 B12R1.1631 Cc1cccc(c1SCC=O)C 62a_100000033847_200015260668 [0,2,0,0,0,0|1,0,1]=4 2538 B12R1.1631 Cc1cccc(c1SCC=O)C 62a_200015260668_100000033847 [0,2,0,0,0,0|1,0,1]=4 2539 B12R1.1631 Cc1cccc(c1SCC=O)Cl 62a_100000043165_200015260668 [0,2,0,0,0,0|1,0,1]=4 2540 B12R1.1631 Cc1cccc(c1SCC=O)Cl 62a_200015260668_100000043165 [0,2,0,0,0,0|1,0,1]=4 2541 B12R1.1631 Cc1cccc(c1SCC=O)F 62a_100011218421_200015260668 [0,2,0,0,0,0|1,0,1]=4 2542 B12R1.1631 Cc1cccc(c1SCC=O)F 62a_200015260668_100011218421 [0,2,0,0,0,0|1,0,1]=4 2543 B12R1.1631 Cc1cccc(c1SCC=O)N 62a_100000684715_200015260668 [0,2,0,0,0,0|1,0,1]=4 2544 B12R1.1631 Cc1cccc(c1SCC=O)N 62a_200015260668_100000684715 [0,2,0,0,0,0|1,0,1]=4 2545 B12R1.1631 Cc1cccc(c1SCC=O)O 62a_100000686692_200015260668 [0,2,0,0,0,0|1,0,1]=4 2546 B12R1.1631 Cc1cccc(c1SCC=O)O 62a_200015260668_100000686692 [0,2,0,0,0,0|1,0,1]=4 2547 B12R1.1631 Nc1cccc(c1OCC=O)Br 34a_100011934915_200009817547 [0,2,0,0,0,0|1,0,1]=4 2548 B12R1.1631 Nc1cccc(c1OCC=O)Cl 34a_100000754742_200009817547 [0,2,0,0,0,0|1,0,1]=4 2549 B12R1.1631 Nc1cccc(c1OCC=O)F 34a_100011934987_200009817547 [0,2,0,0,0,0|1,0,1]=4 2550 B12R1.1631 Nc1cccc(c1OCC=O)I 34a_100010084371_200009817547 [0,2,0,0,0,0|1,0,1]=4 2551 B12R1.1631 Nc1cccc(c1OCC=O)N 34a_200016994477_200009817547 [0,2,0,0,0,0|1,0,1]=4 2552 B12R1.1631 Nc1cccc(c1SCC=O)Br 62a_100020590159_200015260668 [0,2,0,0,0,0|1,0,1]=4 2553 B12R1.1631 Nc1cccc(c1SCC=O)Br 62a_200015260668_100020590159 [0,2,0,0,0,0|1,0,1]=4 2554 B12R1.1631 Nc1cccc(c1SCC=O)Cl 62a_100000049713_200015260668 [0,2,0,0,0,0|1,0,1]=4 2555 B12R1.1631 Nc1cccc(c1SCC=O)Cl 62a_200015260668_100000049713 [0,2,0,0,0,0|1,0,1]=4 2556 B12R1.1631 Nc1cccc(c1SCC=O)F 62a_100000690935_200015260668 [0,2,0,0,0,0|1,0,1]=4 2557 B12R1.1631 Nc1cccc(c1SCC=O)F 62a_200015260668_100000690935 [0,2,0,0,0,0|1,0,1]=4 2558 B12R1.1631 Nc1cccc(c1SCC=O)O 62a_100012183704_200015260668 [0,2,0,0,0,0|1,0,1]=4 2559 B12R1.1631 Nc1cccc(c1SCC=O)O 62a_200015260668_100012183704 [0,2,0,0,0,0|1,0,1]=4 2560 B12R1.1631 O=CCNc1c(cccc1Br)Br 34a_100000690995_200009817547 [0,2,0,0,0,0|1,0,1]=4 2561 B12R1.1631 O=CCNc1c(cccc1Br)Cl 34a_100102946385_200009817547 [0,2,0,0,0,0|1,0,1]=4 2562 B12R1.1631 O=CCNc1c(cccc1Br)F 34a_100000684712_200009817547 [0,2,0,0,0,0|1,0,1]=4 2563 B12R1.1631 O=CCNc1c(cccc1Br)O 34a_100011934926_200009817547 [0,2,0,0,0,0|1,0,1]=4 2564 B12R1.1631 O=CCNc1c(cccc1Cl)Cl 34a_100000210028_200009817547 [0,2,0,0,0,0|1,0,1]=4 2565 B12R1.1631 O=CCNc1c(cccc1Cl)F 34a_100000760031_200009817547 [0,2,0,0,0,0|1,0,1]=4 2566 B12R1.1631 O=CCNc1c(cccc1Cl)O 34a_100012022510_200009817547 [0,2,0,0,0,0|1,0,1]=4 2567 B12R1.1631 O=CCNc1c(cccc1F)F 2230a_100000210704_200015260668 [0,2,0,0,0,0|1,0,1]=4 2568 B12R1.1631 O=CCNc1c(cccc1F)F 34a_100000210704_200009817547 [0,2,0,0,0,0|1,0,1]=4 2569 B12R1.1631 O=CCNc1c(cccc1F)O 34a_100020591140_200009817547 [0,2,0,0,0,0|1,0,1]=4 2570 B12R1.1631 O=CCNc1c(cccc1I)F 34a_100000042321_200009817547 [0,2,0,0,0,0|1,0,1]=4 2571 B12R1.1631 O=CCOc1c(cccc1Br)Br 34a_100000736428_200009817547 [0,2,0,0,0,0|1,0,1]=4 2572 B12R1.1631 O=CCOc1c(cccc1Br)Br 7a_100000736428_200015260668 [0,2,0,0,0,0|1,0,1]=4 2573 B12R1.1631 O=CCOc1c(cccc1Br)Cl 34a_100010214474_200009817547 [0,2,0,0,0,0|1,0,1]=4 2574 B12R1.1631 O=CCOc1c(cccc1Br)Cl 7a_100010214474_200015260668 [0,2,0,0,0,0|1,0,1]=4 2575 B12R1.1631 O=CCOc1c(cccc1Br)F 34a_100009813666_200009817547 [0,2,0,0,0,0|1,0,1]=4 2576 B12R1.1631 O=CCOc1c(cccc1Br)F 7a_100009813666_200015260668 [0,2,0,0,0,0|1,0,1]=4 2577 B12R1.1631 O=CCOc1c(cccc1Cl)Cl 34a_100000211709_200009817547 [0,2,0,0,0,0|1,0,1]=4 2578 B12R1.1631 O=CCOc1c(cccc1Cl)Cl 7a_100000211709_200015260668 [0,2,0,0,0,0|1,0,1]=4 2579 B12R1.1631 O=CCOc1c(cccc1Cl)F 34a_100000694953_200009817547 [0,2,0,0,0,0|1,0,1]=4 2580 B12R1.1631 O=CCOc1c(cccc1Cl)F 7a_100000694953_200015260668 [0,2,0,0,0,0|1,0,1]=4 2581 B12R1.1631 O=CCOc1c(cccc1F)F 34a_100000230165_200009817547 [0,2,0,0,0,0|1,0,1]=4 2582 B12R1.1631 O=CCOc1c(cccc1F)F 7a_100000230165_200015260668 [0,2,0,0,0,0|1,0,1]=4 2583 B12R1.1631 O=CCOc1c(cccc1I)Br 34a_100010084509_200009817547 [0,2,0,0,0,0|1,0,1]=4 2584 B12R1.1631 O=CCOc1c(cccc1I)Br 7a_100010084509_200015260668 [0,2,0,0,0,0|1,0,1]=4 2585 B12R1.1631 O=CCOc1c(cccc1I)Cl 34a_100010202889_200009817547 [0,2,0,0,0,0|1,0,1]=4 2586 B12R1.1631 O=CCOc1c(cccc1I)Cl 7a_100010202889_200015260668 [0,2,0,0,0,0|1,0,1]=4 2587 B12R1.1631 O=CCOc1c(cccc1I)F 34a_100010186298_200009817547 [0,2,0,0,0,0|1,0,1]=4 2588 B12R1.1631 O=CCOc1c(cccc1I)F 7a_100010186298_200015260668 [0,2,0,0,0,0|1,0,1]=4 2589 B12R1.1631 O=CCSc1c(cccc1Br)Br 62a_100009994525_200015260668 [0,2,0,0,0,0|1,0,1]=4 2590 B12R1.1631 O=CCSc1c(cccc1Br)Br 62a_200015260668_100009994525 [0,2,0,0,0,0|1,0,1]=4 2591 B12R1.1631 O=CCSc1c(cccc1Br)Cl 62a_100010214488_200015260668 [0,2,0,0,0,0|1,0,1]=4 2592 B12R1.1631 O=CCSc1c(cccc1Br)Cl 62a_200015260668_100010214488 [0,2,0,0,0,0|1,0,1]=4 2593 B12R1.1631 O=CCSc1c(cccc1Br)F 62a_100011219512_200015260668 [0,2,0,0,0,0|1,0,1]=4 2594 B12R1.1631 O=CCSc1c(cccc1Br)F 62a_200015260668_100011219512 [0,2,0,0,0,0|1,0,1]=4 2595 B12R1.1631 O=CCSc1c(cccc1Br)O 62a_100010187912_200015260668 [0,2,0,0,0,0|1,0,1]=4 2596 B12R1.1631 O=CCSc1c(cccc1Br)O 62a_200015260668_100010187912 [0,2,0,0,0,0|1,0,1]=4 2597 B12R1.1631 O=CCSc1c(cccc1Cl)Cl 62a_100000034237_200015260668 [0,2,0,0,0,0|1,0,1]=4 2598 B12R1.1631 O=CCSc1c(cccc1Cl)Cl 62a_200015260668_100000034237 [0,2,0,0,0,0|1,0,1]=4 2599 B12R1.1631 O=CCSc1c(cccc1Cl)F 62a_100000050007_200015260668 [0,2,0,0,0,0|1,0,1]=4 2600 B12R1.1631 O=CCSc1c(cccc1Cl)F 62a_200015260668_100000050007 [0,2,0,0,0,0|1,0,1]=4 2601 B12R1.1631 O=CCSc1c(cccc1Cl)O 62a_200015260668_100000050174 [0,2,0,0,0,0|1,0,1]=4 2602 B12R1.1631 O=CCSc1c(cccc1F)F 62a_100000693133_200015260668 [0,2,0,0,0,0|1,0,1]=4 2603 B12R1.1631 O=CCSc1c(cccc1F)F 62a_200015260668_100000693133 [0,2,0,0,0,0|1,0,1]=4 2604 B12R1.1631 O=CCSc1c(cccc1F)O 62a_100009820682_200015260668 [0,2,0,0,0,0|1,0,1]=4 2605 B12R1.1631 O=CCSc1c(cccc1F)O 62a_200015260668_100009820682 [0,2,0,0,0,0|1,0,1]=4 2606 B12R1.1631 O=CCSc1c(cccc1O)O 62a_200015260668_100010205330 [0,2,0,0,0,0|1,0,1]=4 2607 B12R1.28 C/C=C/CNc1cccc(c1)Br 34a_100000210019_100102629194 [0,2,0,0,0,0|1,0,1]=4 2608 B12R1.28 C/C=C/CNc1cccc(c1)C 34a_100000188690_100102629194 [0,2,0,0,0,0|1,0,1]=4 2609 B12R1.28 C/C=C/CNc1cccc(c1)Cl 34a_100000185859_100102629194 [0,2,0,0,0,0|1,0,1]=4 2610 B12R1.28 C/C=C/CNc1cccc(c1)F 34a_100000210047_100102629194 [0,2,0,0,0,0|1,0,1]=4 2611 B12R1.28 C/C=C/CNc1cccc(c1)I 34a_100000211102_100102629194 [0,2,0,0,0,0|1,0,1]=4 2612 B12R1.28 C/C=C/CNc1cccc(c1)O 34a_100000210217_100102629194 [0,2,0,0,0,0|1,0,1]=4 2613 B12R1.28 C/C=C/COc1cccc(c1)Br 34a_100000210342_100102629194 [0,2,0,0,0,0|1,0,1]=4 2614 B12R1.28 C/C=C/COc1cccc(c1)Br 7a_100000210342_100102629194 [0,2,0,0,0,0|1,0,1]=4 2615 B12R1.28 C/C=C/COc1cccc(c1)C 34a_100000210337_100102629194 [0,2,0,0,0,0|1,0,1]=4 2616 B12R1.28 C/C=C/COc1cccc(c1)C 7a_100000210337_100102629194 [0,2,0,0,0,0|1,0,1]=4 2617 B12R1.28 C/C=C/COc1cccc(c1)Cl 34a_100000210295_100102629194 [0,2,0,0,0,0|1,0,1]=4 2618 B12R1.28 C/C=C/COc1cccc(c1)Cl 7a_100000210295_100102629194 [0,2,0,0,0,0|1,0,1]=4 2619 B12R1.28 C/C=C/COc1cccc(c1)F 34a_100000210426_100102629194 [0,2,0,0,0,0|1,0,1]=4 2620 B12R1.28 C/C=C/COc1cccc(c1)F 7a_100000210426_100102629194 [0,2,0,0,0,0|1,0,1]=4 2621 B12R1.28 C/C=C/COc1cccc(c1)I 34a_100000211634_100102629194 [0,2,0,0,0,0|1,0,1]=4 2622 B12R1.28 C/C=C/COc1cccc(c1)I 7a_100000211634_100102629194 [0,2,0,0,0,0|1,0,1]=4 2623 B12R1.28 C/C=C/COc1cccc(c1)N 34a_100000210217_100102629194 [0,2,0,0,0,0|1,0,1]=4 2624 B12R1.28 C/C=C/CSc1cccc(c1)Br 62a_100000691529_100102629194 [0,2,0,0,0,0|1,0,1]=4 2625 B12R1.28 C/C=C/CSc1cccc(c1)Br 62a_100102629194_100000691529 [0,2,0,0,0,0|1,0,1]=4 2626 B12R1.28 C/C=C/CSc1cccc(c1)C 62a_100011215228_100102629194 [0,2,0,0,0,0|1,0,1]=4 2627 B12R1.28 C/C=C/CSc1cccc(c1)C 62a_100102629194_100011215228 [0,2,0,0,0,0|1,0,1]=4 2628 B12R1.28 C/C=C/CSc1cccc(c1)Cl 62a_100000699651_100102629194 [0,2,0,0,0,0|1,0,1]=4 2629 B12R1.28 C/C=C/CSc1cccc(c1)Cl 62a_100102629194_100000699651 [0,2,0,0,0,0|1,0,1]=4 2630 B12R1.28 C/C=C/CSc1cccc(c1)F 62a_100000685547_100102629194 [0,2,0,0,0,0|1,0,1]=4 2631 B12R1.28 C/C=C/CSc1cccc(c1)F 62a_100102629194_100000685547 [0,2,0,0,0,0|1,0,1]=4 2632 B12R1.28 C/C=C/CSc1cccc(c1)N 62a_100000210019_100102629194 [0,2,0,0,0,0|1,0,1]=4 2633 B12R1.28 C/C=C/CSc1cccc(c1)N 62a_100102629194_100000210019 [0,2,0,0,0,0|1,0,1]=4 2634 B12R1.28 C/C=C/CSc1cccc(c1)O 62a_100102629194_100000211634 [0,2,0,0,0,0|1,0,1]=4 2635 B12R1.28 C/C=C/CSc1cccc(c1)[S] 62a_100102629194_114929384022 [0,2,0,0,0,0|1,0,1]=4 2636 B12R1.28 C/C=C/CSc1cccc(c1)[S] 62a_114929384022_100102629194 [0,2,0,0,0,0|1,0,1]=4 2637 B12R1.28 CC=CCNc1cccc(c1)Br 34a_100000210019_100000070051 [0,2,0,0,0,0|1,0,1]=4 2638 B12R1.28 CC=CCNc1cccc(c1)C 2230a_100000188690_100000070051 [0,2,0,0,0,0|1,0,1]=4 2639 B12R1.28 CC=CCNc1cccc(c1)C 34a_100000188690_100000070051 [0,2,0,0,0,0|1,0,1]=4 2640 B12R1.28 CC=CCNc1cccc(c1)Cl 34a_100000185859_100000070051 [0,2,0,0,0,0|1,0,1]=4 2641 B12R1.28 CC=CCNc1cccc(c1)F 34a_100000210047_100000070051 [0,2,0,0,0,0|1,0,1]=4 2642 B12R1.28 CC=CCNc1cccc(c1)I 34a_100000211102_100000070051 [0,2,0,0,0,0|1,0,1]=4 2643 B12R1.28 CC=CCNc1cccc(c1)O 34a_100000210217_100000070051 [0,2,0,0,0,0|1,0,1]=4 2644 B12R1.28 CC=CCOc1cccc(c1)Br 34a_100000210342_100000070051 [0,2,0,0,0,0|1,0,1]=4 2645 B12R1.28 CC=CCOc1cccc(c1)Br 7a_100000210342_100000070051 [0,2,0,0,0,0|1,0,1]=4 2646 B12R1.28 CC=CCOc1cccc(c1)C 34a_100000210337_100000070051 [0,2,0,0,0,0|1,0,1]=4 2647 B12R1.28 CC=CCOc1cccc(c1)C 7a_100000210337_100000070051 [0,2,0,0,0,0|1,0,1]=4 2648 B12R1.28 CC=CCOc1cccc(c1)Cl 34a_100000210295_100000070051 [0,2,0,0,0,0|1,0,1]=4 2649 B12R1.28 CC=CCOc1cccc(c1)Cl 7a_100000210295_100000070051 [0,2,0,0,0,0|1,0,1]=4 2650 B12R1.28 CC=CCOc1cccc(c1)F 34a_100000210426_100000070051 [0,2,0,0,0,0|1,0,1]=4 2651 B12R1.28 CC=CCOc1cccc(c1)F 7a_100000210426_100000070051 [0,2,0,0,0,0|1,0,1]=4 2652 B12R1.28 CC=CCOc1cccc(c1)I 34a_100000211634_100000070051 [0,2,0,0,0,0|1,0,1]=4 2653 B12R1.28 CC=CCOc1cccc(c1)I 7a_100000211634_100000070051 [0,2,0,0,0,0|1,0,1]=4 2654 B12R1.28 CC=CCOc1cccc(c1)N 34a_100000210217_100000070051 [0,2,0,0,0,0|1,0,1]=4 2655 B12R1.28 CC=CCSc1cccc(c1)Br 62a_100000070051_100000691529 [0,2,0,0,0,0|1,0,1]=4 2656 B12R1.28 CC=CCSc1cccc(c1)Br 62a_100000691529_100000070051 [0,2,0,0,0,0|1,0,1]=4 2657 B12R1.28 CC=CCSc1cccc(c1)C 62a_100000070051_100011215228 [0,2,0,0,0,0|1,0,1]=4 2658 B12R1.28 CC=CCSc1cccc(c1)C 62a_100011215228_100000070051 [0,2,0,0,0,0|1,0,1]=4 2659 B12R1.28 CC=CCSc1cccc(c1)Cl 62a_100000070051_100000699651 [0,2,0,0,0,0|1,0,1]=4 2660 B12R1.28 CC=CCSc1cccc(c1)Cl 62a_100000699651_100000070051 [0,2,0,0,0,0|1,0,1]=4 2661 B12R1.28 CC=CCSc1cccc(c1)F 62a_100000070051_100000685547 [0,2,0,0,0,0|1,0,1]=4 2662 B12R1.28 CC=CCSc1cccc(c1)F 62a_100000685547_100000070051 [0,2,0,0,0,0|1,0,1]=4 2663 B12R1.28 CC=CCSc1cccc(c1)N 62a_100000070051_100000210019 [0,2,0,0,0,0|1,0,1]=4 2664 B12R1.28 CC=CCSc1cccc(c1)N 62a_100000210019_100000070051 [0,2,0,0,0,0|1,0,1]=4 2665 B12R1.28 CC=CCSc1cccc(c1)O 62a_100000070051_100000211634 [0,2,0,0,0,0|1,0,1]=4 2666 B12R1.28 CC=CCSc1cccc(c1)[S] 62a_100000070051_114929384022 [0,2,0,0,0,0|1,0,1]=4 2667 B12R1.28 CC=CCSc1cccc(c1)[S] 62a_114929384022_100000070051 [0,2,0,0,0,0|1,0,1]=4 2668 B12R1.28 CCCC=Cc1cccc(c1)Br 271570a_100016258520_100000691529 [0,2,0,0,0,0|1,0,1]=4 2669 B12R1.28 CCCC=Cc1cccc(c1)C 271570a_100016258520_100011215228 [0,2,0,0,0,0|1,0,1]=4 2670 B12R1.28 CCCC=Cc1cccc(c1)Cl 271570a_100016258520_100000699651 [0,2,0,0,0,0|1,0,1]=4 2671 B12R1.28 CCCC=Cc1cccc(c1)F 271570a_100016258520_100000685547 [0,2,0,0,0,0|1,0,1]=4 2672 B12R1.28 CCCC=Cc1cccc(c1)N 271570a_100016258520_100000210019 [0,2,0,0,0,0|1,0,1]=4 2673 B12R1.28 CCCC=Cc1cccc(c1)O 271570a_100016258520_100000211634 [0,2,0,0,0,0|1,0,1]=4 2674 B12R1.28 CCCC=Cc1cccc(c1)[S] 271570a_100016258520_114929384022 [0,2,0,0,0,0|1,0,1]=4 2675 B12R1.28 CCOC=Cc1cccc(c1)Br 271570a_100016256518_100000691529 [0,2,0,0,0,0|1,0,1]=4 2676 B12R1.28 CCOC=Cc1cccc(c1)C 271570a_100016256518_100011215228 [0,2,0,0,0,0|1,0,1]=4 2677 B12R1.28 CCOC=Cc1cccc(c1)Cl 271570a_100016256518_100000699651 [0,2,0,0,0,0|1,0,1]=4 2678 B12R1.28 CCOC=Cc1cccc(c1)F 271570a_100016256518_100000685547 [0,2,0,0,0,0|1,0,1]=4 2679 B12R1.28 CCOC=Cc1cccc(c1)N 271570a_100016256518_100000210019 [0,2,0,0,0,0|1,0,1]=4 2680 B12R1.28 CCOC=Cc1cccc(c1)O 271570a_100016256518_100000211634 [0,2,0,0,0,0|1,0,1]=4 2681 B12R1.28 CCOC=Cc1cccc(c1)[S] 271570a_100016256518_114929384022 [0,2,0,0,0,0|1,0,1]=4 2682 B12R1.28 CNCC=Cc1cccc(c1)C 270004a_106832991635_100102525846 [0,2,0,0,0,0|1,0,1]=4 2683 B12R1.28 CNCC=Cc1cccc(c1)Cl 270004a_106832991635_100016268971 [0,2,0,0,0,0|1,0,1]=4 2684 B12R1.28 COCC=Cc1cccc(c1)Br 271570a_100016286323_100000691529 [0,2,0,0,0,0|0,0,2]=4 2685 B12R1.28 COCC=Cc1cccc(c1)C 271570a_100016286323_100011215228 [0,2,0,0,0,0|0,0,2]=4 2686 B12R1.28 COCC=Cc1cccc(c1)Cl 271570a_100016286323_100000699651 [0,2,0,0,0,0|0,0,2]=4 2687 B12R1.28 COCC=Cc1cccc(c1)F 271570a_100016286323_100000685547 [0,2,0,0,0,0|0,0,2]=4 2688 B12R1.28 COCC=Cc1cccc(c1)N 271570a_100016286323_100000210019 [0,2,0,0,0,0|0,0,2]=4 2689 B12R1.28 COCC=Cc1cccc(c1)O 271570a_100016286323_100000211634 [0,2,0,0,0,0|0,0,2]=4 2690 B12R1.28 COCC=Cc1cccc(c1)[S] 271570a_100016286323_114929384022 [0,2,0,0,0,0|0,0,2]=4 2691 B12R1.28 Cc1cccc(c1)CNCC=O 2230a_100000185548_200015260668 [0,2,0,0,0,0|0,0,2]=4 2692 B12R1.28 Cc1cccc(c1)CNCC=O 34a_100000185548_200009817547 [0,2,0,0,0,0|0,0,2]=4 2693 B12R1.28 Cc1cccc(c1)COCC=O 34a_100011217746_200009817547 [0,2,0,0,0,0|0,0,2]=4 2694 B12R1.28 Cc1cccc(c1)COCC=O 7a_100011217746_200015260668 [0,2,0,0,0,0|0,0,2]=4 2695 B12R1.28 Cc1cccc(c1)CSCC=O 62a_100000211840_200015260668 [0,2,0,0,0,0|0,0,2]=4 2696 B12R1.28 Cc1cccc(c1)CSCC=O 62a_200015260668_100000211840 [0,2,0,0,0,0|0,0,2]=4 2697 B12R1.28 Nc1cccc(c1)COCC=O 34a_100000211919_200009817547 [0,2,0,0,0,0|0,0,2]=4 2698 B12R1.28 O=CCNCc1cccc(c1)Br 2230a_100000174977_200015260668 [0,2,0,0,0,0|0,0,2]=4 2699 B12R1.28 O=CCNCc1cccc(c1)Br 34a_100000174977_200009817547 [0,2,0,0,0,0|0,0,2]=4 2700 B12R1.28 O=CCNCc1cccc(c1)Cl 2230a_100000174878_200015260668 [0,2,0,0,0,0|0,0,2]=4 2701 B12R1.28 O=CCNCc1cccc(c1)Cl 34a_100000174878_200009817547 [0,2,0,0,0,0|0,0,2]=4 2702 B12R1.28 O=CCNCc1cccc(c1)F 2230a_100000174948_200015260668 [0,2,0,0,0,0|0,0,2]=4 2703 B12R1.28 O=CCNCc1cccc(c1)F 34a_100000174948_200009817547 [0,2,0,0,0,0|0,0,2]=4 2704 B12R1.28 O=CCNCc1cccc(c1)I 2230a_100000106179_200015260668 [0,2,0,0,0,0|0,0,2]=4 2705 B12R1.28 O=CCNCc1cccc(c1)I 34a_100000106179_200009817547 [0,2,0,0,0,0|0,0,2]=4 2706 B12R1.28 O=CCNCc1cccc(c1)O 2230a_100000743036_200015260668 [0,2,0,0,0,0|0,0,2]=4 2707 B12R1.28 O=CCNCc1cccc(c1)O 34a_100000743036_200009817547 [0,2,0,0,0,0|0,0,2]=4 2708 B12R1.28 O=CCOCc1cccc(c1)Br 34a_100000687537_200009817547 [0,2,0,0,0,0|0,0,2]=4 2709 B12R1.28 O=CCOCc1cccc(c1)Br 7a_100000687537_200015260668 [0,2,0,0,0,0|0,0,2]=4 2710 B12R1.28 O=CCOCc1cccc(c1)Cl 34a_100000241301_200009817547 [0,2,0,0,0,0|0,0,2]=4 2711 B12R1.28 O=CCOCc1cccc(c1)Cl 7a_100000241301_200015260668 [0,2,0,0,0,0|0,0,2]=4 2712 B12R1.28 O=CCOCc1cccc(c1)F 34a_100000210976_200009817547 [0,2,0,0,0,0|0,0,2]=4 2713 B12R1.28 O=CCOCc1cccc(c1)F 7a_100000210976_200015260668 [0,2,0,0,0,0|0,0,2]=4 2714 B12R1.28 O=CCOCc1cccc(c1)I 34a_100011215336_200009817547 [0,2,0,0,0,0|0,0,2]=4 2715 B12R1.28 O=CCOCc1cccc(c1)I 7a_100011215336_200015260668 [0,2,0,0,0,0|0,0,2]=4 2716 B12R1.28 O=CCSCc1cccc(c1)Br 62a_100000211773_200015260668 [0,2,0,0,0,0|0,0,2]=4 2717 B12R1.28 O=CCSCc1cccc(c1)Br 62a_200015260668_100000211773 [0,2,0,0,0,0|0,0,2]=4 2718 B12R1.28 O=CCSCc1cccc(c1)Cl 62a_100000187163_200015260668 [0,2,0,0,0,0|0,0,2]=4 2719 B12R1.28 O=CCSCc1cccc(c1)Cl 62a_200015260668_100000187163 [0,2,0,0,0,0|0,0,2]=4 2720 B12R1.28 O=CCSCc1cccc(c1)F 62a_100000230114_200015260668 [0,2,0,0,0,0|0,0,2]=4 2721 B12R1.28 O=CCSCc1cccc(c1)F 62a_200015260668_100000230114 [0,2,0,0,0,0|0,0,2]=4 2722 B12R1.28 O=CCSCc1cccc(c1)I 62a_100011218688_200015260668 [0,2,0,0,0,0|0,0,2]=4 2723 B12R1.28 O=CCSCc1cccc(c1)I 62a_200015260668_100011218688 [0,2,0,0,0,0|0,0,2]=4 2724 B12R1.28 O=CCSCc1cccc(c1)O 62a_100011660834_200015260668 [0,2,0,0,0,0|0,0,2]=4 2725 B12R1.28 O=CCSCc1cccc(c1)O 62a_200015260668_100011660834 [0,2,0,0,0,0|0,0,2]=4 2726 B12R1.50 C=CC(=O)Cc1cccc(c1)Br 1458a_100000185746_100000211773 [0,2,0,0,0,0|1,0,1]=4 2727 B12R1.50 C=CC(=O)Cc1cccc(c1)C 1458a_100000185746_100000211840 [0,2,0,0,0,0|1,0,1]=4 2728 B12R1.50 C=CC(=O)Cc1cccc(c1)Cl 1458a_100000185746_100000181238 [0,2,0,0,0,0|1,0,1]=4 2729 B12R1.50 C=CC(=O)Cc1cccc(c1)F 1458a_100000185746_100000230114 [0,2,0,0,0,0|1,0,1]=4 2730 B12R1.50 C=CC(=O)Cc1cccc(c1)I 1458a_100000185746_100011218688 [0,2,0,0,0,0|1,0,1]=4 2731 B12R1.50 C=CC(=O)Cc1cccc(c1)O 1458a_100000185746_100011660834 [0,2,0,0,0,0|1,0,1]=4 2732 B12R1.50 C=CC(=O)Nc1cccc(c1)Br 1626a_100000210019_100000185746 [0,2,0,0,0,0|2,0,0]=4 2733 B12R1.50 C=CC(=O)Nc1cccc(c1)Br 22a_100000210019_100000185746 [0,2,0,0,0,0|2,0,0]=4 2734 B12R1.50 C=CC(=O)Nc1cccc(c1)C 1626a_100000188690_100000185746 [0,2,0,0,0,0|2,0,0]=4 2735 B12R1.50 C=CC(=O)Nc1cccc(c1)C 22a_100000188690_100000185746 [0,2,0,0,0,0|2,0,0]=4 2736 B12R1.50 C=CC(=O)Nc1cccc(c1)Cl 1626a_100000185859_100000185746 [0,2,0,0,0,0|2,0,0]=4 2737 B12R1.50 C=CC(=O)Nc1cccc(c1)Cl 22a_100000185859_100000185746 [0,2,0,0,0,0|2,0,0]=4 2738 B12R1.50 C=CC(=O)Nc1cccc(c1)F 1626a_100000210047_100000185746 [0,2,0,0,0,0|2,0,0]=4 2739 B12R1.50 C=CC(=O)Nc1cccc(c1)F 22a_100000210047_100000185746 [0,2,0,0,0,0|2,0,0]=4 2740 B12R1.50 C=CC(=O)Nc1cccc(c1)I 1626a_100000211102_100000185746 [0,2,0,0,0,0|2,0,0]=4 2741 B12R1.50 C=CC(=O)Nc1cccc(c1)I 22a_100000211102_100000185746 [0,2,0,0,0,0|2,0,0]=4 2742 B12R1.50 C=CC(=O)Nc1cccc(c1)O 1626a_100000210217_100000185746 [0,2,0,0,0,0|2,0,0]=4 2743 B12R1.50 C=CC(=O)Nc1cccc(c1)O 22a_100000210217_100000185746 [0,2,0,0,0,0|2,0,0]=4 2744 B12R1.50 CC(=Cc1cccc(c1)Br)C#N 6a_100000210085_200000212204 [0,2,0,0,0,0|1,0,1]=4 2745 B12R1.50 CC(=Cc1cccc(c1)F)C#N 6a_100000210812_200000212204 [0,2,0,0,0,0|1,0,1]=4 2746 B12R1.50 CC(=Cc1cccc(c1)I)C#N 6a_100000014684_200000212204 [0,2,0,0,0,0|1,0,1]=4 2747 B12R1.50 N#CC(=Cc1cccc(c1)Br)F 6a_100000210085_200000032654 [0,2,0,0,0,0|1,0,1]=4 2748 B12R1.50 N#CC(=Cc1cccc(c1)F)F 6a_100000210812_200000032654 [0,2,0,0,0,0|1,0,1]=4 2749 B12R1.50 N#CC(=Cc1cccc(c1)I)F 6a_100000014684_200000032654 [0,2,0,0,0,0|1,0,1]=4 2750 B12R1.100 Cc1cc(cc(c1)NCC=O)Br 34a_100000695972_200009817547 [0,2,0,0,0,0|1,0,1]=4 2751 B12R1.100 Cc1cc(cc(c1)NCC=O)Br 7a_100000695972_200015260668 [0,2,0,0,0,0|1,0,1]=4 2752 B12R1.100 Cc1cc(cc(c1)NCC=O)C 2230a_100000210930_200015260668 [0,2,0,0,0,0|1,0,1]=4 2753 B12R1.100 Cc1cc(cc(c1)NCC=O)C 34a_100000210930_200009817547 [0,2,0,0,0,0|1,0,1]=4 2754 B12R1.100 Cc1cc(cc(c1)NCC=O)C 7a_100000210930_200015260668 [0,2,0,0,0,0|1,0,1]=4 2755 B12R1.100 Cc1cc(cc(c1)NCC=O)Cl 2230a_100012022512_200015260668 [0,2,0,0,0,0|1,0,1]=4 2756 B12R1.100 Cc1cc(cc(c1)NCC=O)Cl 34a_100012022512_200009817547 [0,2,0,0,0,0|1,0,1]=4 2757 B12R1.100 Cc1cc(cc(c1)NCC=O)Cl 7a_100012022512_200015260668 [0,2,0,0,0,0|1,0,1]=4 2758 B12R1.100 Cc1cc(cc(c1)NCC=O)F 2230a_100000742734_200015260668 [0,2,0,0,0,0|1,0,1]=4 2759 B12R1.100 Cc1cc(cc(c1)NCC=O)F 34a_100000742734_200009817547 [0,2,0,0,0,0|1,0,1]=4 2760 B12R1.100 Cc1cc(cc(c1)NCC=O)F 7a_100000742734_200015260668 [0,2,0,0,0,0|1,0,1]=4 2761 B12R1.100 Cc1cc(cc(c1)NCC=O)O 34a_100011995906_200009817547 [0,2,0,0,0,0|1,0,1]=4 2762 B12R1.100 Cc1cc(cc(c1)NCC=O)O 7a_100011995906_200015260668 [0,2,0,0,0,0|1,0,1]=4 2763 B12R1.100 Cc1cc(cc(c1)OCC=O)Br 34a_100011999630_200009817547 [0,2,0,0,0,0|1,0,1]=4 2764 B12R1.100 Cc1cc(cc(c1)OCC=O)Br 7a_100011999630_200015260668 [0,2,0,0,0,0|1,0,1]=4 2765 B12R1.100 Cc1cc(cc(c1)OCC=O)C 34a_100000210933_200009817547 [0,2,0,0,0,0|1,0,1]=4 2766 B12R1.100 Cc1cc(cc(c1)OCC=O)C 7a_100000210933_200015260668 [0,2,0,0,0,0|1,0,1]=4 2767 B12R1.100 Cc1cc(cc(c1)OCC=O)Cl 34a_100000087485_200009817547 [0,2,0,0,0,0|1,0,1]=4 2768 B12R1.100 Cc1cc(cc(c1)OCC=O)Cl 7a_100000087485_200015260668 [0,2,0,0,0,0|1,0,1]=4 2769 B12R1.100 Cc1cc(cc(c1)OCC=O)F 34a_100011830401_200009817547 [0,2,0,0,0,0|1,0,1]=4 2770 B12R1.100 Cc1cc(cc(c1)OCC=O)F 7a_100011830401_200015260668 [0,2,0,0,0,0|1,0,1]=4 2771 B12R1.100 Cc1cc(cc(c1)OCC=O)N 34a_100011995906_200009817547 [0,2,0,0,0,0|1,0,1]=4 2772 B12R1.100 Cc1cc(cc(c1)OCC=O)N 7a_100011995906_200015260668 [0,2,0,0,0,0|1,0,1]=4 2773 B12R1.100 Cc1cc(cc(c1)SCC=O)C 62a_100011215608_200015260668 [0,2,0,0,0,0|1,0,1]=4 2774 B12R1.100 Cc1cc(cc(c1)SCC=O)C 62a_200015260668_100011215608 [0,2,0,0,0,0|1,0,1]=4 2775 B12R1.100 Cc1cc(cc(c1)SCC=O)Cl 62a_100010172791_200015260668 [0,2,0,0,0,0|1,0,1]=4 2776 B12R1.100 Cc1cc(cc(c1)SCC=O)Cl 62a_200015260668_100010172791 [0,2,0,0,0,0|1,0,1]=4 2777 B12R1.100 Cc1cc(cc(c1)SCC=O)F 62a_100011356977_200015260668 [0,2,0,0,0,0|1,0,1]=4 2778 B12R1.100 Cc1cc(cc(c1)SCC=O)F 62a_200015260668_100011356977 [0,2,0,0,0,0|1,0,1]=4 2779 B12R1.100 Cc1cc(cc(c1)SCC=O)N 62a_100000695972_200015260668 [0,2,0,0,0,0|1,0,1]=4 2780 B12R1.100 Cc1cc(cc(c1)SCC=O)N 62a_200015260668_100000695972 [0,2,0,0,0,0|1,0,1]=4 2781 B12R1.100 Cc1cc(cc(c1)SCC=O)O 62a_200015260668_100011999630 [0,2,0,0,0,0|1,0,1]=4 2782 B12R1.100 Nc1cc(cc(c1)OCC=O)Cl 34a_100000123917_200009817547 [0,2,0,0,0,0|1,0,1]=4 2783 B12R1.100 Nc1cc(cc(c1)OCC=O)Cl 7a_100000123917_200015260668 [0,2,0,0,0,0|1,0,1]=4 2784 B12R1.100 Nc1cc(cc(c1)SCC=O)Br 62a_100009814763_200015260668 [0,2,0,0,0,0|1,0,1]=4 2785 B12R1.100 Nc1cc(cc(c1)SCC=O)Br 62a_200015260668_100009814763 [0,2,0,0,0,0|1,0,1]=4 2786 B12R1.100 Nc1cc(cc(c1)SCC=O)Cl 62a_100010147676_200015260668 [0,2,0,0,0,0|1,0,1]=4 2787 B12R1.100 Nc1cc(cc(c1)SCC=O)Cl 62a_200015260668_100010147676 [0,2,0,0,0,0|1,0,1]=4 2788 B12R1.100 Nc1cc(cc(c1)SCC=O)F 62a_100011356972_200015260668 [0,2,0,0,0,0|1,0,1]=4 2789 B12R1.100 Nc1cc(cc(c1)SCC=O)F 62a_200015260668_100011356972 [0,2,0,0,0,0|1,0,1]=4 2790 B12R1.100 Nc1cc(cc(c1)SCC=O)N 62a_100011999608_200015260668 [0,2,0,0,0,0|1,0,1]=4 2791 B12R1.100 Nc1cc(cc(c1)SCC=O)N 62a_200015260668_100011999608 [0,2,0,0,0,0|1,0,1]=4 2792 B12R1.100 O=CCNc1cc(cc(c1)Br)Br 34a_100012047176_200009817547 [0,2,0,0,0,0|1,0,1]=4 2793 B12R1.100 O=CCNc1cc(cc(c1)Br)Br 7a_100012047176_200015260668 [0,2,0,0,0,0|1,0,1]=4 2794 B12R1.100 O=CCNc1cc(cc(c1)Br)Cl 34a_100011934539_200009817547 [0,2,0,0,0,0|1,0,1]=4 2795 B12R1.100 O=CCNc1cc(cc(c1)Br)Cl 7a_100011934539_200015260668 [0,2,0,0,0,0|1,0,1]=4 2796 B12R1.100 O=CCNc1cc(cc(c1)Br)F 34a_100000705686_200009817547 [0,2,0,0,0,0|1,0,1]=4 2797 B12R1.100 O=CCNc1cc(cc(c1)Br)F 7a_100000705686_200015260668 [0,2,0,0,0,0|1,0,1]=4 2798 B12R1.100 O=CCNc1cc(cc(c1)Cl)Cl 34a_100000210456_200009817547 [0,2,0,0,0,0|1,0,1]=4 2799 B12R1.100 O=CCNc1cc(cc(c1)Cl)Cl 7a_100000210456_200015260668 [0,2,0,0,0,0|1,0,1]=4 2800 B12R1.100 O=CCNc1cc(cc(c1)Cl)F 34a_100000686136_200009817547 [0,2,0,0,0,0|1,0,1]=4 2801 B12R1.100 O=CCNc1cc(cc(c1)Cl)F 7a_100000686136_200015260668 [0,2,0,0,0,0|1,0,1]=4 2802 B12R1.100 O=CCNc1cc(cc(c1)Cl)O 34a_100000123917_200009817547 [0,2,0,0,0,0|1,0,1]=4 2803 B12R1.100 O=CCNc1cc(cc(c1)Cl)O 7a_100000123917_200015260668 [0,2,0,0,0,0|1,0,1]=4 2804 B12R1.100 O=CCNc1cc(cc(c1)F)F 34a_100000233717_200009817547 [0,2,0,0,0,0|1,0,1]=4 2805 B12R1.100 O=CCNc1cc(cc(c1)F)F 7a_100000233717_200015260668 [0,2,0,0,0,0|1,0,1]=4 2806 B12R1.100 O=CCNc1cc(cc(c1)I)Br 7a_100009814763_200015260668 [0,2,0,0,0,0|1,0,1]=4 2807 B12R1.100 O=CCNc1cc(cc(c1)I)Cl 7a_100010147676_200015260668 [0,2,0,0,0,0|1,0,1]=4 2808 B12R1.100 O=CCNc1cc(cc(c1)I)F 34a_100011356972_200009817547 [0,2,0,0,0,0|1,0,1]=4 2809 B12R1.100 O=CCNc1cc(cc(c1)I)F 7a_100011356972_200015260668 [0,2,0,0,0,0|1,0,1]=4 2810 B12R1.100 O=CCNc1cc(cc(c1)I)I 7a_200000696836_200015260668 [0,2,0,0,0,0|1,0,1]=4 2811 B12R1.100 O=CCNc1cc(cc(c1)O)O 34a_100000043371_200009817547 [0,2,0,0,0,0|1,0,1]=4 2812 B12R1.100 O=CCOc1cc(cc(c1)Br)Br 34a_100010167048_200009817547 [0,2,0,0,0,0|1,0,1]=4 2813 B12R1.100 O=CCOc1cc(cc(c1)Br)Br 7a_100010167048_200015260668 [0,2,0,0,0,0|1,0,1]=4 2814 B12R1.100 O=CCOc1cc(cc(c1)Br)Cl 34a_100010185897_200009817547 [0,2,0,0,0,0|1,0,1]=4 2815 B12R1.100 O=CCOc1cc(cc(c1)Br)Cl 7a_100010185897_200015260668 [0,2,0,0,0,0|1,0,1]=4 2816 B12R1.100 O=CCOc1cc(cc(c1)Br)F 34a_100000688818_200009817547 [0,2,0,0,0,0|1,0,1]=4 2817 B12R1.100 O=CCOc1cc(cc(c1)Br)F 7a_100000688818_200015260668 [0,2,0,0,0,0|1,0,1]=4 2818 B12R1.100 O=CCOc1cc(cc(c1)Cl)Cl 34a_100000181315_200009817547 [0,2,0,0,0,0|1,0,1]=4 2819 B12R1.100 O=CCOc1cc(cc(c1)Cl)Cl 7a_100000181315_200015260668 [0,2,0,0,0,0|1,0,1]=4 2820 B12R1.100 O=CCOc1cc(cc(c1)Cl)F 34a_100011219751_200009817547 [0,2,0,0,0,0|1,0,1]=4 2821 B12R1.100 O=CCOc1cc(cc(c1)Cl)F 7a_100011219751_200015260668 [0,2,0,0,0,0|1,0,1]=4 2822 B12R1.100 O=CCOc1cc(cc(c1)F)F 34a_100000747503_200009817547 [0,2,0,0,0,0|1,0,1]=4 2823 B12R1.100 O=CCOc1cc(cc(c1)F)F 7a_100000747503_200015260668 [0,2,0,0,0,0|1,0,1]=4 2824 B12R1.100 O=CCOc1cc(cc(c1)I)Br 34a_100010068917_200009817547 [0,2,0,0,0,0|1,0,1]=4 2825 B12R1.100 O=CCOc1cc(cc(c1)I)Br 7a_100010068917_200015260668 [0,2,0,0,0,0|1,0,1]=4 2826 B12R1.100 O=CCOc1cc(cc(c1)I)Cl 34a_100010068924_200009817547 [0,2,0,0,0,0|1,0,1]=4 2827 B12R1.100 O=CCOc1cc(cc(c1)I)Cl 7a_100010068924_200015260668 [0,2,0,0,0,0|1,0,1]=4 2828 B12R1.100 O=CCOc1cc(cc(c1)I)F 34a_100000717995_200009817547 [0,2,0,0,0,0|1,0,1]=4 2829 B12R1.100 O=CCOc1cc(cc(c1)I)F 7a_100000717995_200015260668 [0,2,0,0,0,0|1,0,1]=4 2830 B12R1.100 O=CCSc1cc(cc(c1)Br)Br 62a_100009814770_200015260668 [0,2,0,0,0,0|1,0,1]=4 2831 B12R1.100 O=CCSc1cc(cc(c1)Br)Br 62a_200015260668_100009814770 [0,2,0,0,0,0|1,0,1]=4 2832 B12R1.100 O=CCSc1cc(cc(c1)Br)Cl 62a_100009814755_200015260668 [0,2,0,0,0,0|1,0,1]=4 2833 B12R1.100 O=CCSc1cc(cc(c1)Br)Cl 62a_200015260668_100009814755 [0,2,0,0,0,0|1,0,1]=4 2834 B12R1.100 O=CCSc1cc(cc(c1)Br)F 62a_100009814764_200015260668 [0,2,0,0,0,0|1,0,1]=4 2835 B12R1.100 O=CCSc1cc(cc(c1)Br)F 62a_200015260668_100009814764 [0,2,0,0,0,0|1,0,1]=4 2836 B12R1.100 O=CCSc1cc(cc(c1)Br)O 62a_100010068917_200015260668 [0,2,0,0,0,0|1,0,1]=4 2837 B12R1.100 O=CCSc1cc(cc(c1)Br)O 62a_200015260668_100010068917 [0,2,0,0,0,0|1,0,1]=4 2838 B12R1.100 O=CCSc1cc(cc(c1)Cl)Cl 62a_100000747138_200015260668 [0,2,0,0,0,0|1,0,1]=4 2839 B12R1.100 O=CCSc1cc(cc(c1)Cl)Cl 62a_200015260668_100000747138 [0,2,0,0,0,0|1,0,1]=4 2840 B12R1.100 O=CCSc1cc(cc(c1)Cl)F 62a_100013859453_200015260668 [0,2,0,0,0,0|1,0,1]=4 2841 B12R1.100 O=CCSc1cc(cc(c1)Cl)F 62a_200015260668_100013859453 [0,2,0,0,0,0|1,0,1]=4 2842 B12R1.100 O=CCSc1cc(cc(c1)Cl)O 62a_100010068924_200015260668 [0,2,0,0,0,0|1,0,1]=4 2843 B12R1.100 O=CCSc1cc(cc(c1)Cl)O 62a_200015260668_100010068924 [0,2,0,0,0,0|1,0,1]=4 2844 B12R1.100 O=CCSc1cc(cc(c1)F)F 62a_100000233788_200015260668 [0,2,0,0,0,0|1,0,1]=4 2845 B12R1.100 O=CCSc1cc(cc(c1)F)F 62a_200015260668_100000233788 [0,2,0,0,0,0|1,0,1]=4 2846 B12R1.100 O=CCSc1cc(cc(c1)F)O 62a_100000688818_200015260668 [0,2,0,0,0,0|1,0,1]=4 2847 B12R1.100 O=CCSc1cc(cc(c1)F)O 62a_200015260668_100000688818 [0,2,0,0,0,0|1,0,1]=4 2848 B12R1.100 O=CCSc1cc(cc(c1)O)O 62a_200015260668_100009868816 [0,2,0,0,0,0|1,0,1]=4 2849 B12R1.226 CC(=O)/C=C/c1cccc(c1)O 271570a_203496583355_200016266566 [0,2,0,0,0,0|0,0,0]=2 2850 B12R1.226 CC(=O)C#Cc1cccc(c1)Br 1458a_100012100324_200000210301 [0,2,0,0,0,0|0,0,2]=4 2851 B12R1.226 CC(=O)C#Cc1cccc(c1)C 1458a_100011892726_200000210301 [0,2,0,0,0,0|0,0,2]=4 2852 B12R1.226 CC(=O)C#Cc1cccc(c1)Cl 1458a_100011892777_200000210301 [0,2,0,0,0,0|0,0,2]=4 2853 B12R1.226 CC(=O)C#Cc1cccc(c1)F 1458a_100011892744_200000210301 [0,2,0,0,0,0|0,0,2]=4 2854 B12R1.226 CC(=O)C#Cc1cccc(c1)O 1458a_200009909484_200000210301 [0,2,0,0,0,0|0,0,2]=4 2855 B12R1.226 CC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_200000210301 [0,2,0,0,0,0|0,0,0]=2 2856 B12R1.226 CC(=O)C=Cc1cccc(c1)C 1458a_100000690095_200000210301 [0,2,0,0,0,0|0,0,0]=2 2857 B12R1.226 CC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_200000210301 [0,2,0,0,0,0|0,0,0]=2 2858 B12R1.226 CC(=O)C=Cc1cccc(c1)F 1458a_100000718793_200000210301 [0,2,0,0,0,0|0,0,0]=2 2859 B12R1.226 CC(=O)C=Cc1cccc(c1)I 1458a_100020647043_200000210301 [0,2,0,0,0,0|0,0,0]=2 2860 B12R1.226 CC(=O)CCc1cccc(c1)Br 1458a_100000070787_100011740638 [0,2,0,0,0,0|0,0,2]=4 2861 B12R1.226 CC(=O)CCc1cccc(c1)Br 1458a_100000184314_200000210301 [0,2,0,0,0,0|0,0,2]=4 2862 B12R1.226 CC(=O)CCc1cccc(c1)C 1458a_100000070787_100011713685 [0,2,0,0,0,0|0,0,2]=4 2863 B12R1.226 CC(=O)CCc1cccc(c1)C 1458a_100000234952_200000210301 [0,2,0,0,0,0|0,0,2]=4 2864 B12R1.226 CC(=O)CCc1cccc(c1)Cl 1458a_100000070787_100011713710 [0,2,0,0,0,0|0,0,2]=4 2865 B12R1.226 CC(=O)CCc1cccc(c1)Cl 1458a_100000235675_200000210301 [0,2,0,0,0,0|0,0,2]=4 2866 B12R1.226 CC(=O)CCc1cccc(c1)F 1458a_100000070787_100011217235 [0,2,0,0,0,0|0,0,2]=4 2867 B12R1.226 CC(=O)CCc1cccc(c1)F 1458a_100000235673_200000210301 [0,2,0,0,0,0|0,0,2]=4 2868 B12R1.226 CC(=O)CCc1cccc(c1)I 1458a_100010007846_200000210301 [0,2,0,0,0,0|0,0,2]=4 2869 B12R1.226 CC(=O)CCc1cccc(c1)O 1458a_100011216126_200000210301 [0,2,0,0,0,0|0,0,2]=4 2870 B12R1.226 CC(=O)CCc1cccc(c1)O 271570a_203496583355_100011279149 [0,2,0,0,0,0|0,0,2]=4 2871 B12R1.226 CC(=O)COc1cccc(c1)Br 1458a_100000182359_200000210301 [0,2,0,0,0,0|1,0,1]=4 2872 B12R1.226 CC(=O)COc1cccc(c1)C 1458a_100000183606_200000210301 [0,2,0,0,0,0|1,0,1]=4 2873 B12R1.226 CC(=O)COc1cccc(c1)Cl 1458a_100000184978_200000210301 [0,2,0,0,0,0|1,0,1]=4 2874 B12R1.226 CC(=O)COc1cccc(c1)F 1458a_100000182781_200000210301 [0,2,0,0,0,0|1,0,1]=4 2875 B12R1.226 CC(=O)CSc1cccc(c1)Br 1458a_100000760868_200000210301 [0,2,0,0,0,0|1,0,1]=4 2876 B12R1.226 CC(=O)NCc1cccc(c1)Br 11a_100000174977_100015343762 [0,2,0,0,0,0|1,0,1]=4 2877 B12R1.226 CC(=O)NCc1cccc(c1)Br 1626a_100000174977_100015343762 [0,2,0,0,0,0|1,0,1]=4 2878 B12R1.226 CC(=O)NCc1cccc(c1)Br 240690a_100000174977_100015343762 [0,2,0,0,0,0|1,0,1]=4 2879 B12R1.226 CC(=O)NCc1cccc(c1)Br 527a_100000174977_100103153847 [0,2,0,0,0,0|1,0,1]=4 2880 B12R1.226 CC(=O)NCc1cccc(c1)C 11a_100000185548_100015343762 [0,2,0,0,0,0|1,0,1]=4 2881 B12R1.226 CC(=O)NCc1cccc(c1)C 1626a_100000185548_100015343762 [0,2,0,0,0,0|1,0,1]=4 2882 B12R1.226 CC(=O)NCc1cccc(c1)C 240690a_100000185548_100015343762 [0,2,0,0,0,0|1,0,1]=4 2883 B12R1.226 CC(=O)NCc1cccc(c1)C 527a_100000185548_100103153847 [0,2,0,0,0,0|1,0,1]=4 2884 B12R1.226 CC(=O)NCc1cccc(c1)Cl 11a_100000174878_100015343762 [0,2,0,0,0,0|1,0,1]=4 2885 B12R1.226 CC(=O)NCc1cccc(c1)Cl 1626a_100000174878_100015343762 [0,2,0,0,0,0|1,0,1]=4 2886 B12R1.226 CC(=O)NCc1cccc(c1)Cl 240690a_100000174878_100015343762 [0,2,0,0,0,0|1,0,1]=4 2887 B12R1.226 CC(=O)NCc1cccc(c1)Cl 527a_100000174878_100103153847 [0,2,0,0,0,0|1,0,1]=4 2888 B12R1.226 CC(=O)NCc1cccc(c1)F 11a_100000174948_100015343762 [0,2,0,0,0,0|1,0,1]=4 2889 B12R1.226 CC(=O)NCc1cccc(c1)F 1626a_100000174948_100015343762 [0,2,0,0,0,0|1,0,1]=4 2890 B12R1.226 CC(=O)NCc1cccc(c1)F 240690a_100000174948_100015343762 [0,2,0,0,0,0|1,0,1]=4 2891 B12R1.226 CC(=O)NCc1cccc(c1)F 527a_100000174948_100103153847 [0,2,0,0,0,0|1,0,1]=4 2892 B12R1.226 CC(=O)NCc1cccc(c1)I 11a_100000106179_100015343762 [0,2,0,0,0,0|1,0,1]=4 2893 B12R1.226 CC(=O)NCc1cccc(c1)I 1626a_100000106179_100015343762 [0,2,0,0,0,0|1,0,1]=4 2894 B12R1.226 CC(=O)NCc1cccc(c1)I 240690a_100000106179_100015343762 [0,2,0,0,0,0|1,0,1]=4 2895 B12R1.226 CC(=O)NCc1cccc(c1)I 527a_100000106179_100103153847 [0,2,0,0,0,0|1,0,1]=4 2896 B12R1.226 CC(=O)NCc1cccc(c1)O 240690a_100000743036_100015343762 [0,2,0,0,0,0|1,0,1]=4 2897 B12R1.226 CC(=O)NCc1cccc(c1)O 271570a_203496583355_100000766983 [0,2,0,0,0,0|1,0,1]=4 2898 B12R1.226 CC(=O)NCc1cccc(c1)O 527a_100000743036_100103153847 [0,2,0,0,0,0|1,0,1]=4 2899 B12R1.226 CC(=O)NNc1cccc(c1)Br 22a_100000217339_100000070787 [0,2,0,0,0,0|2,0,0]=4 2900 B12R1.226 CC(=O)NNc1cccc(c1)C 22a_100000681630_100000070787 [0,2,0,0,0,0|2,0,0]=4 2901 B12R1.226 CC(=O)NNc1cccc(c1)Cl 22a_100000184277_100000070787 [0,2,0,0,0,0|2,0,0]=4 2902 B12R1.226 CC(=O)NNc1cccc(c1)F 22a_100000745080_100000070787 [0,2,0,0,0,0|2,0,0]=4 2903 B12R1.226 CC(=O)NNc1cccc(c1)I 22a_100020605690_100000070787 [0,2,0,0,0,0|2,0,0]=4 2904 B12R1.226 CC(C)C=Cc1cccc(c1)Br 271570a_100016257149_100000691529 [0,2,0,0,0,0|1,0,1]=4 2905 B12R1.226 CC(C)C=Cc1cccc(c1)Cl 271570a_100016257149_100000699651 [0,2,0,0,0,0|1,0,1]=4 2906 B12R1.226 CC(C)C=Cc1cccc(c1)F 271570a_100016257149_100000685547 [0,2,0,0,0,0|1,0,1]=4 2907 B12R1.226 CC(C)C=Cc1cccc(c1)N 271570a_100016257149_100000210019 [0,2,0,0,0,0|1,0,1]=4 2908 B12R1.226 CC(C)C=Cc1cccc(c1)O 271570a_100016257149_100000211634 [0,2,0,0,0,0|1,0,1]=4 2909 B12R1.226 CC(C)C=Cc1cccc(c1)[S] 271570a_100016257149_114929384022 [0,2,0,0,0,0|1,0,1]=4 2910 B12R1.226 CC(O)C=Cc1cccc(c1)Br 271570a_200011019289_100000691529 [0,2,0,0,0,0|0,0,2]=4 2911 B12R1.226 CC(O)C=Cc1cccc(c1)Cl 271570a_200011019289_100000699651 [0,2,0,0,0,0|0,0,2]=4 2912 B12R1.226 CC(O)C=Cc1cccc(c1)F 271570a_200011019289_100000685547 [0,2,0,0,0,0|0,0,2]=4 2913 B12R1.226 CC(O)C=Cc1cccc(c1)N 271570a_200011019289_100000210019 [0,2,0,0,0,0|0,0,2]=4 2914 B12R1.226 CC(O)C=Cc1cccc(c1)O 271570a_200011019289_100000211634 [0,2,0,0,0,0|0,0,2]=4 2915 B12R1.226 CC(O)C=Cc1cccc(c1)[S] 271570a_200011019289_114929384022 [0,2,0,0,0,0|0,0,2]=4 2916 B12R1.226 Cc1cccc(c1)C#CC(=O)[13CH3] 1458a_100011892726_200025704644 [0,2,0,0,0,0|0,0,2]=4 2917 B12R1.226 Cc1cccc(c1)C=CC(=O)[13CH3] 1458a_100000690095_200025704644 [0,2,0,0,0,0|0,0,0]=2 2918 B12R1.226 Cc1cccc(c1)C=CC(C)C 271570a_100016257149_100011215228 [0,2,0,0,0,0|1,0,1]=4 2919 B12R1.226 Cc1cccc(c1)C=CC(C)O 271570a_200011019289_100011215228 [0,2,0,0,0,0|0,0,2]=4 2920 B12R1.226 Cc1cccc(c1)CCC(=O)[13CH3] 1458a_100000234952_200025704644 [0,2,0,0,0,0|0,0,2]=4 2921 B12R1.226 Cc1cccc(c1)NCC(=O)N 2230a_100000188690_100000747473 [0,2,0,0,0,0|1,0,1]=4 2922 B12R1.226 Cc1cccc(c1)NCC(=O)N 34a_100000188690_100000187820 [0,2,0,0,0,0|1,0,1]=4 2923 B12R1.226 Cc1cccc(c1)NCC(=O)[O-] 34a_100000188690_100020667443 [0,2,0,0,0,0|1,0,1]=4 2924 B12R1.226 Cc1cccc(c1)OCC(=O)N 34a_100000210337_100000187820 [0,2,0,0,0,0|1,0,1]=4 2925 B12R1.226 Cc1cccc(c1)OCC(=O)N 7a_100000210337_100000187820 [0,2,0,0,0,0|1,0,1]=4 2926 B12R1.226 Cc1cccc(c1)OCC(=O)[13CH3] 1458a_100000183606_200025704644 [0,2,0,0,0,0|1,0,1]=4 2927 B12R1.226 Cc1cccc(c1)OCC(=O)[O-] 34a_100000210337_100020667443 [0,2,0,0,0,0|1,0,1]=4 2928 B12R1.226 Cc1cccc(c1)SCC(=O)N 62a_100000747473_100011215228 [0,2,0,0,0,0|1,0,1]=4 2929 B12R1.226 Cc1cccc(c1)SCC(=O)N 62a_100011215228_100000747473 [0,2,0,0,0,0|1,0,1]=4 2930 B12R1.226 Cc1cccc(c1)SCC(=O)[O-] 62a_100011215228_100020667443 [0,2,0,0,0,0|1,0,1]=4 2931 B12R1.226 Cc1cccc(c1)SCC(=O)[O-] 62a_100020667443_100011215228 [0,2,0,0,0,0|1,0,1]=4 2932 B12R1.226 NC(=O)CCc1cccc(c1)O 271570a_203496583355_100000162029 [0,2,0,0,0,0|0,0,2]=4 2933 B12R1.226 NC(=O)CNc1cccc(c1)Br 34a_100000210019_100000187820 [0,2,0,0,0,0|1,0,1]=4 2934 B12R1.226 NC(=O)CNc1cccc(c1)Cl 34a_100000185859_100000187820 [0,2,0,0,0,0|1,0,1]=4 2935 B12R1.226 NC(=O)CNc1cccc(c1)F 34a_100000210047_100000187820 [0,2,0,0,0,0|1,0,1]=4 2936 B12R1.226 NC(=O)CNc1cccc(c1)I 34a_100000211102_100000187820 [0,2,0,0,0,0|1,0,1]=4 2937 B12R1.226 NC(=O)CNc1cccc(c1)O 34a_100000210217_100000187820 [0,2,0,0,0,0|1,0,1]=4 2938 B12R1.226 NC(=O)COc1cccc(c1)Br 34a_100000210342_100000187820 [0,2,0,0,0,0|1,0,1]=4 2939 B12R1.226 NC(=O)COc1cccc(c1)Br 7a_100000210342_100000187820 [0,2,0,0,0,0|1,0,1]=4 2940 B12R1.226 NC(=O)COc1cccc(c1)Cl 34a_100000210295_100000187820 [0,2,0,0,0,0|1,0,1]=4 2941 B12R1.226 NC(=O)COc1cccc(c1)Cl 7a_100000210295_100000187820 [0,2,0,0,0,0|1,0,1]=4 2942 B12R1.226 NC(=O)COc1cccc(c1)F 34a_100000210426_100000187820 [0,2,0,0,0,0|1,0,1]=4 2943 B12R1.226 NC(=O)COc1cccc(c1)F 7a_100000210426_100000187820 [0,2,0,0,0,0|1,0,1]=4 2944 B12R1.226 NC(=O)COc1cccc(c1)I 34a_100000211634_100000187820 [0,2,0,0,0,0|1,0,1]=4 2945 B12R1.226 NC(=O)COc1cccc(c1)I 7a_100000211634_100000187820 [0,2,0,0,0,0|1,0,1]=4 2946 B12R1.226 NC(=O)COc1cccc(c1)N 34a_100000210217_100000187820 [0,2,0,0,0,0|1,0,1]=4 2947 B12R1.226 NC(=O)COc1cccc(c1)O 271570a_203496583355_200000150604 [0,2,0,0,0,0|1,0,1]=4 2948 B12R1.226 NC(=O)CSc1cccc(c1)Br 62a_100000691529_100000747473 [0,2,0,0,0,0|1,0,1]=4 2949 B12R1.226 NC(=O)CSc1cccc(c1)Br 62a_100000747473_100000691529 [0,2,0,0,0,0|1,0,1]=4 2950 B12R1.226 NC(=O)CSc1cccc(c1)Cl 62a_100000699651_100000747473 [0,2,0,0,0,0|1,0,1]=4 2951 B12R1.226 NC(=O)CSc1cccc(c1)Cl 62a_100000747473_100000699651 [0,2,0,0,0,0|1,0,1]=4 2952 B12R1.226 NC(=O)CSc1cccc(c1)F 62a_100000685547_100000747473 [0,2,0,0,0,0|1,0,1]=4 2953 B12R1.226 NC(=O)CSc1cccc(c1)F 62a_100000747473_100000685547 [0,2,0,0,0,0|1,0,1]=4 2954 B12R1.226 NC(=O)CSc1cccc(c1)N 62a_100000210019_100000747473 [0,2,0,0,0,0|1,0,1]=4 2955 B12R1.226 NC(=O)CSc1cccc(c1)N 62a_100000747473_100000210019 [0,2,0,0,0,0|1,0,1]=4 2956 B12R1.226 NC(=O)CSc1cccc(c1)O 62a_100000747473_100000211634 [0,2,0,0,0,0|1,0,1]=4 2957 B12R1.226 NC(=O)CSc1cccc(c1)[S] 62a_100000747473_114929384022 [0,2,0,0,0,0|1,0,1]=4 2958 B12R1.226 NC(=O)CSc1cccc(c1)[S] 62a_114929384022_100000747473 [0,2,0,0,0,0|1,0,1]=4 2959 B12R1.226 Nc1cccc(c1)OCC(=O)[O-] 34a_100000210217_100020667443 [0,2,0,0,0,0|1,0,1]=4 2960 B12R1.226 Nc1cccc(c1)SCC(=O)[O-] 62a_100000210019_100020667443 [0,2,0,0,0,0|1,0,1]=4 2961 B12R1.226 Nc1cccc(c1)SCC(=O)[O-] 62a_100020667443_100000210019 [0,2,0,0,0,0|1,0,1]=4 2962 B12R1.226 O=C([O-])CNc1cccc(c1)Br 34a_100000210019_100020667443 [0,2,0,0,0,0|1,0,1]=4 2963 B12R1.226 O=C([O-])CNc1cccc(c1)Cl 34a_100000185859_100020667443 [0,2,0,0,0,0|1,0,1]=4 2964 B12R1.226 O=C([O-])CNc1cccc(c1)F 34a_100000210047_100020667443 [0,2,0,0,0,0|1,0,1]=4 2965 B12R1.226 O=C([O-])CNc1cccc(c1)I 34a_100000211102_100020667443 [0,2,0,0,0,0|1,0,1]=4 2966 B12R1.226 O=C([O-])CNc1cccc(c1)O 34a_100000210217_100020667443 [0,2,0,0,0,0|1,0,1]=4 2967 B12R1.226 O=C([O-])COc1cccc(c1)Br 34a_100000210342_100020667443 [0,2,0,0,0,0|1,0,1]=4 2968 B12R1.226 O=C([O-])COc1cccc(c1)Cl 34a_100000210295_100020667443 [0,2,0,0,0,0|1,0,1]=4 2969 B12R1.226 O=C([O-])COc1cccc(c1)F 34a_100000210426_100020667443 [0,2,0,0,0,0|1,0,1]=4 2970 B12R1.226 O=C([O-])COc1cccc(c1)I 34a_100000211634_100020667443 [0,2,0,0,0,0|1,0,1]=4 2971 B12R1.226 O=C([O-])CSc1cccc(c1)Br 62a_100000691529_100020667443 [0,2,0,0,0,0|1,0,1]=4 2972 B12R1.226 O=C([O-])CSc1cccc(c1)Br 62a_100020667443_100000691529 [0,2,0,0,0,0|1,0,1]=4 2973 B12R1.226 O=C([O-])CSc1cccc(c1)Cl 62a_100000699651_100020667443 [0,2,0,0,0,0|1,0,1]=4 2974 B12R1.226 O=C([O-])CSc1cccc(c1)Cl 62a_100020667443_100000699651 [0,2,0,0,0,0|1,0,1]=4 2975 B12R1.226 O=C([O-])CSc1cccc(c1)F 62a_100000685547_100020667443 [0,2,0,0,0,0|1,0,1]=4 2976 B12R1.226 O=C([O-])CSc1cccc(c1)F 62a_100020667443_100000685547 [0,2,0,0,0,0|1,0,1]=4 2977 B12R1.226 O=C([O-])CSc1cccc(c1)O 62a_100020667443_100000211634 [0,2,0,0,0,0|1,0,1]=4 2978 B12R1.226 O=C([O-])CSc1cccc(c1)[S] 62a_100020667443_114929384022 [0,2,0,0,0,0|1,0,1]=4 2979 B12R1.226 O=C([O-])CSc1cccc(c1)[S] 62a_114929384022_100020667443 [0,2,0,0,0,0|1,0,1]=4 2980 B12R1.226 [13CH3]C(=O)C#Cc1cccc(c1)Br 1458a_100012100324_200025704644 [0,2,0,0,0,0|0,0,2]=4 2981 B12R1.226 [13CH3]C(=O)C#Cc1cccc(c1)Cl 1458a_100011892777_200025704644 [0,2,0,0,0,0|0,0,2]=4 2982 B12R1.226 [13CH3]C(=O)C#Cc1cccc(c1)F 1458a_100011892744_200025704644 [0,2,0,0,0,0|0,0,2]=4 2983 B12R1.226 [13CH3]C(=O)C#Cc1cccc(c1)O 1458a_200009909484_200025704644 [0,2,0,0,0,0|0,0,2]=4 2984 B12R1.226 [13CH3]C(=O)C=Cc1cccc(c1)Br 1458a_100016258244_200025704644 [0,2,0,0,0,0|0,0,0]=2 2985 B12R1.226 [13CH3]C(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_200025704644 [0,2,0,0,0,0|0,0,0]=2 2986 B12R1.226 [13CH3]C(=O)C=Cc1cccc(c1)F 1458a_100000718793_200025704644 [0,2,0,0,0,0|0,0,0]=2 2987 B12R1.226 [13CH3]C(=O)C=Cc1cccc(c1)I 1458a_100020647043_200025704644 [0,2,0,0,0,0|0,0,0]=2 2988 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)Br 1458a_100000184314_200025704644 [0,2,0,0,0,0|0,0,2]=4 2989 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)Cl 1458a_100000235675_200025704644 [0,2,0,0,0,0|0,0,2]=4 2990 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)F 1458a_100000235673_200025704644 [0,2,0,0,0,0|0,0,2]=4 2991 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)I 1458a_100010007846_200025704644 [0,2,0,0,0,0|0,0,2]=4 2992 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)O 1458a_100011216126_200025704644 [0,2,0,0,0,0|0,0,2]=4 2993 B12R1.226 [13CH3]C(=O)COc1cccc(c1)Br 1458a_100000182359_200025704644 [0,2,0,0,0,0|1,0,1]=4 2994 B12R1.226 [13CH3]C(=O)COc1cccc(c1)Cl 1458a_100000184978_200025704644 [0,2,0,0,0,0|1,0,1]=4 2995 B12R1.226 [13CH3]C(=O)COc1cccc(c1)F 1458a_100000182781_200025704644 [0,2,0,0,0,0|1,0,1]=4 2996 B12R1.226 [13CH3]C(=O)CSc1cccc(c1)Br 1458a_100000760868_200025704644 [0,2,0,0,0,0|1,0,1]=4 2997 B12R1.382 C#Cc1cccc(c1)NCC=O 2230a_100000735509_200015260668 [0,2,0,0,0,0|1,0,1]=4 2998 B12R1.382 C#Cc1cccc(c1)NCC=O 34a_100000735509_200009817547 [0,2,0,0,0,0|1,0,1]=4 2999 B12R1.382 C#Cc1cccc(c1)OCC=O 34a_100011216014_200009817547 [0,2,0,0,0,0|1,0,1]=4 3000 B12R1.382 C#Cc1cccc(c1)OCC=O 7a_100011216014_200015260668 [0,2,0,0,0,0|1,0,1]=4 3001 B12R1.382 C=Cc1cccc(c1)NCC=O 34a_100011827668_200009817547 [0,2,0,0,0,0|1,0,1]=4 3002 B12R1.382 C=Cc1cccc(c1)OCC=O 34a_100011309434_200009817547 [0,2,0,0,0,0|1,0,1]=4 3003 B12R1.382 C=Cc1cccc(c1)OCC=O 7a_100011309434_200015260668 [0,2,0,0,0,0|1,0,1]=4 3004 B12R1.382 C=Cc1cccc(c1)SCC=O 62a_100011215241_200015260668 [0,2,0,0,0,0|1,0,1]=4 3005 B12R1.382 C=Cc1cccc(c1)SCC=O 62a_200015260668_100011215241 [0,2,0,0,0,0|1,0,1]=4 3006 B12R1.382 CCc1cccc(c1)NCC=O 2230a_100000211250_200015260668 [0,2,0,0,0,0|1,0,1]=4 3007 B12R1.382 CCc1cccc(c1)NCC=O 34a_100000211250_200009817547 [0,2,0,0,0,0|1,0,1]=4 3008 B12R1.382 CCc1cccc(c1)NCC=O 7a_100000211250_200015260668 [0,2,0,0,0,0|1,0,1]=4 3009 B12R1.382 CCc1cccc(c1)OCC=O 34a_100000211550_200009817547 [0,2,0,0,0,0|1,0,1]=4 3010 B12R1.382 CCc1cccc(c1)OCC=O 7a_100000211550_200015260668 [0,2,0,0,0,0|1,0,1]=4 3011 B12R1.382 CCc1cccc(c1)SCC=O 62a_100011263222_200015260668 [0,2,0,0,0,0|1,0,1]=4 3012 B12R1.382 CCc1cccc(c1)SCC=O 62a_200015260668_100011263222 [0,2,0,0,0,0|1,0,1]=4 3013 B12R1.382 CNc1cccc(c1)OCC=O 34a_100000756613_200009817547 [0,2,0,0,0,0|1,0,1]=4 3014 B12R1.382 CNc1cccc(c1)OCC=O 7a_100000756613_200015260668 [0,2,0,0,0,0|1,0,1]=4 3015 B12R1.382 CNc1cccc(c1)SCC=O 62a_100000219648_200015260668 [0,2,0,0,0,0|1,0,1]=4 3016 B12R1.382 CNc1cccc(c1)SCC=O 62a_200015260668_100000219648 [0,2,0,0,0,0|1,0,1]=4 3017 B12R1.382 COc1cccc(c1)NCC=O 34a_100000210024_200009817547 [0,2,0,0,0,0|1,0,1]=4 3018 B12R1.382 COc1cccc(c1)OCC=O 34a_100000211255_200009817547 [0,2,0,0,0,0|1,0,1]=4 3019 B12R1.382 COc1cccc(c1)OCC=O 7a_100000211255_200015260668 [0,2,0,0,0,0|1,0,1]=4 3020 B12R1.382 COc1cccc(c1)SCC=O 62a_200015260668_100000170001 [0,2,0,0,0,0|1,0,1]=4 3021 B12R1.382 CSc1cccc(c1)NCC=O 2230a_100000210049_200015260668 [0,2,0,0,0,0|1,0,1]=4 3022 B12R1.382 CSc1cccc(c1)NCC=O 34a_100000210049_200009817547 [0,2,0,0,0,0|1,0,1]=4 3023 B12R1.382 CSc1cccc(c1)OCC=O 34a_100011265683_200009817547 [0,2,0,0,0,0|1,0,1]=4 3024 B12R1.382 CSc1cccc(c1)OCC=O 7a_100011265683_200015260668 [0,2,0,0,0,0|1,0,1]=4 3025 B12R1.382 CSc1cccc(c1)SCC=O 62a_100011215954_200015260668 [0,2,0,0,0,0|1,0,1]=4 3026 B12R1.382 CSc1cccc(c1)SCC=O 62a_200015260668_100011215954 [0,2,0,0,0,0|1,0,1]=4 3027 B12R1.382 N#Cc1cccc(c1)NCC=O 34a_100000210922_200009817547 [0,2,0,0,0,0|1,0,1]=4 3028 B12R1.382 N#Cc1cccc(c1)NCC=O 7a_100000210922_200015260668 [0,2,0,0,0,0|1,0,1]=4 3029 B12R1.382 N#Cc1cccc(c1)OCC=O 34a_100000184713_200009817547 [0,2,0,0,0,0|1,0,1]=4 3030 B12R1.382 N#Cc1cccc(c1)OCC=O 7a_100000184713_200015260668 [0,2,0,0,0,0|1,0,1]=4 3031 B12R1.382 N#Cc1cccc(c1)SCC=O 62a_200015260668_100000189340 [0,2,0,0,0,0|1,0,1]=4 3032 B12R1.382 NCc1cccc(c1)OCC=O 34a_100000743036_200009817547 [0,2,0,0,0,0|1,0,1]=4 3033 B12R1.382 NCc1cccc(c1)SCC=O 62a_100000106179_200015260668 [0,2,0,0,0,0|1,0,1]=4 3034 B12R1.382 NCc1cccc(c1)SCC=O 62a_200015260668_100000106179 [0,2,0,0,0,0|1,0,1]=4 3035 B12R1.382 NNc1cccc(c1)SCC=O 62a_100000217339_200015260668 [0,2,0,0,0,0|1,0,1]=4 3036 B12R1.382 NNc1cccc(c1)SCC=O 62a_200015260668_100000217339 [0,2,0,0,0,0|1,0,1]=4 3037 B12R1.382 O=CCNc1cccc(c1)CF 2230a_100000126320_200015260668 [0,2,0,0,0,0|1,0,1]=4 3038 B12R1.382 O=CCNc1cccc(c1)CF 34a_100000126320_200009817547 [0,2,0,0,0,0|1,0,1]=4 3039 B12R1.382 O=CCNc1cccc(c1)CF 7a_100000126320_200015260668 [0,2,0,0,0,0|1,0,1]=4 3040 B12R1.382 O=CCNc1cccc(c1)CO 2230a_100000211919_200015260668 [0,2,0,0,0,0|1,0,1]=4 3041 B12R1.382 O=CCNc1cccc(c1)CO 34a_100000211919_200009817547 [0,2,0,0,0,0|1,0,1]=4 3042 B12R1.382 O=CCOc1cccc(c1)CBr 34a_100011660834_200009817547 [0,2,0,0,0,0|1,0,1]=4 3043 B12R1.382 O=CCOc1cccc(c1)CBr 7a_100011660834_200015260668 [0,2,0,0,0,0|1,0,1]=4 3044 B12R1.382 O=CCOc1cccc(c1)CCl 34a_100000084143_200009817547 [0,2,0,0,0,0|1,0,1]=4 3045 B12R1.382 O=CCOc1cccc(c1)CCl 7a_100000084143_200015260668 [0,2,0,0,0,0|1,0,1]=4 3046 B12R1.382 O=CCOc1cccc(c1)CO 34a_100011214949_200009817547 [0,2,0,0,0,0|1,0,1]=4 3047 B12R1.382 O=CCOc1cccc(c1)CO 7a_100011214949_200015260668 [0,2,0,0,0,0|1,0,1]=4 3048 B12R1.382 O=CCSc1cccc(c1)C=O 62a_100000014684_200015260668 [0,2,0,0,0,0|1,0,1]=4 3049 B12R1.382 O=CCSc1cccc(c1)C=O 62a_200015260668_100000014684 [0,2,0,0,0,0|1,0,1]=4 3050 B12R1.382 O=CCSc1cccc(c1)CF 62a_100010878472_200015260668 [0,2,0,0,0,0|1,0,1]=4 3051 B12R1.382 O=CCSc1cccc(c1)CF 62a_200015260668_100010878472 [0,2,0,0,0,0|1,0,1]=4 3052 B12R1.382 O=CCSc1cccc(c1)CO 62a_100000687537_200015260668 [0,2,0,0,0,0|1,0,1]=4 3053 B12R1.382 O=CCSc1cccc(c1)CO 62a_200015260668_100000687537 [0,2,0,0,0,0|1,0,1]=4 3054 B12R1.8 C/C=C/CNCc1ccccc1 34a_100015324214_100102629194 [0,2,0,0,0,0|1,0,1]=4 3055 B12R1.8 C/C=C/COCc1ccccc1 34a_100000210790_100102629194 [0,2,0,0,0,0|1,0,1]=4 3056 B12R1.8 C/C=C/COCc1ccccc1 34a_100016270725_100015291786 [0,2,0,0,0,0|1,0,1]=4 3057 B12R1.8 C/C=C/COCc1ccccc1 7a_100000210790_100102629194 [0,2,0,0,0,0|1,0,1]=4 3058 B12R1.8 C/C=C/CSCc1ccccc1 62a_100000211182_100102629194 [0,2,0,0,0,0|1,0,1]=4 3059 B12R1.8 C/C=C/CSCc1ccccc1 62a_100102629194_100015291786 [0,2,0,0,0,0|1,0,1]=4 3060 B12R1.8 CC/C=C\CNc1ccccc1 34a_100000106764_100103147603 [0,2,0,0,0,0|1,0,1]=4 3061 B12R1.8 CC/C=C\COc1ccccc1 34a_100000210340_100103147603 [0,2,0,0,0,0|1,0,1]=4 3062 B12R1.8 CC/C=C\COc1ccccc1 7a_100000210340_100103147603 [0,2,0,0,0,0|1,0,1]=4 3063 B12R1.8 CC/C=C\CSc1ccccc1 62a_100000719477_100103147603 [0,2,0,0,0,0|1,0,1]=4 3064 B12R1.8 CC/C=C\CSc1ccccc1 62a_100103147603_100000041952 [0,2,0,0,0,0|1,0,1]=4 3065 B12R1.8 CC=CCNCc1ccccc1 2230a_100015324214_100000070051 [0,2,0,0,0,0|1,0,1]=4 3066 B12R1.8 CC=CCNCc1ccccc1 34a_100015324214_100000070051 [0,2,0,0,0,0|1,0,1]=4 3067 B12R1.8 CC=CCOCc1ccccc1 34a_100000210790_100000070051 [0,2,0,0,0,0|1,0,1]=4 3068 B12R1.8 CC=CCOCc1ccccc1 7a_100000210790_100000070051 [0,2,0,0,0,0|1,0,1]=4 3069 B12R1.8 CC=CCSCc1ccccc1 62a_100000070051_100015291786 [0,2,0,0,0,0|1,0,1]=4 3070 B12R1.8 CC=CCSCc1ccccc1 62a_100000211182_100000070051 [0,2,0,0,0,0|1,0,1]=4 3071 B12R1.8 CCCCC=Cc1ccccc1 271570a_100016275911_100000210277 [0,2,0,0,0,0|1,0,1]=4 3072 B12R1.8 CCNC/C=C/c1ccccc1 2230a_100015525214_100016265936 [0,2,0,0,0,0|1,0,1]=4 3073 B12R1.8 CCNC/C=C/c1ccccc1 2230a_100020603302_100000210202 [0,2,0,0,0,0|1,0,1]=4 3074 B12R1.8 CCNC/C=C/c1ccccc1 34a_100020603302_100000210202 [0,2,0,0,0,0|1,0,1]=4 3075 B12R1.8 CCNCC=Cc1ccccc1 270004a_100015525214_100000210105 [0,2,0,0,0,0|1,0,1]=4 3076 B12R1.8 CCOC/C=C/c1ccccc1 34a_100000210256_100000210202 [0,2,0,0,0,0|0,0,2]=4 3077 B12R1.8 CCOC/C=C/c1ccccc1 34a_100121572206_100016265936 [0,2,0,0,0,0|0,0,2]=4 3078 B12R1.8 CCSC/C=C/c1ccccc1 62a_100000210202_100016265936 [0,2,0,0,0,0|0,1,1]=4 3079 B12R1.8 CCSC/C=C/c1ccccc1 62a_100016265936_100000210202 [0,2,0,0,0,0|0,1,1]=4 3080 B12R1.8 FCNC/C=C/c1ccccc1 34a_100020603302_100015361967 [0,2,0,0,0,0|1,0,1]=4 3081 B12R1.8 FCOC/C=C/c1ccccc1 34a_100000210256_100015361967 [0,2,0,0,0,0|0,0,2]=4 3082 B12R1.8 FCSC/C=C/c1ccccc1 62a_100015361967_100016265936 [0,2,0,0,0,0|0,1,1]=4 3083 B12R1.8 FCSC/C=C/c1ccccc1 62a_100016265936_100015361967 [0,2,0,0,0,0|0,1,1]=4 3084 B12R1.8 O=CCCCOc1ccccc1 7a_100000210340_200011292268 [0,2,0,0,0,0|0,0,2]=4 3085 B12R1.8 O=CCCCSc1ccccc1 62a_100000719477_200011292268 [0,2,0,0,0,0|0,0,2]=4 3086 B12R1.8 O=CCCCSc1ccccc1 62a_200011292268_100000041952 [0,2,0,0,0,0|0,0,2]=4 3087 B12R1.8 O=CCNCCc1ccccc1 2230a_100000106460_200015260668 [0,2,0,0,0,0|0,0,2]=4 3088 B12R1.8 O=CCNCCc1ccccc1 34a_100000106460_200009817547 [0,2,0,0,0,0|0,0,2]=4 3089 B12R1.8 O=CCOCCc1ccccc1 34a_100000210268_200009817547 [0,2,0,0,0,0|0,0,2]=4 3090 B12R1.8 O=CCOCCc1ccccc1 7a_100000210268_200015260668 [0,2,0,0,0,0|0,0,2]=4 3091 B12R1.8 O=CCSCCc1ccccc1 62a_100000765856_200015260668 [0,2,0,0,0,0|0,0,2]=4 3092 B12R1.8 O=CCSCCc1ccccc1 62a_200015260668_100011218657 [0,2,0,0,0,0|0,0,2]=4 3093 B12R1.8 O=CCSCSc1ccccc1 62a_100011218342_200015260668 [0,2,0,0,0,0|0,0,2]=4 3094 B12R1.8 O=CCSCSc1ccccc1 62a_200015260668_100011218342 [0,2,0,0,0,0|0,0,2]=4 3095 B12R1.27 C#CC(=O)CCc1ccccc1 1458a_100000211873_100000765856 [0,2,0,0,0,0|0,0,2]=4 3096 B12R1.27 C=CC(=NNc1ccccc1)C 4a_100015195140_200015361842 [0,2,0,0,0,0|2,0,0]=4 3097 B12R1.27 C=CC(=O)CCc1ccccc1 1458a_100000185746_100000765856 [0,2,0,0,0,0|0,0,2]=4 3098 B12R1.27 C=CC(=O)NCc1ccccc1 1626a_100015324214_100000185746 [0,2,0,0,0,0|1,0,1]=4 3099 B12R1.27 C=CC(=O)NCc1ccccc1 240690a_100015324214_200121576911 [0,2,0,0,0,0|1,0,1]=4 3100 B12R1.27 C=CC(=O)NNc1ccccc1 22a_100015195140_100000185746 [0,2,0,0,0,0|2,0,0]=4 3101 B12R1.27 CCC(=O)C#Cc1ccccc1 1458a_100000736102_100000210202 [0,2,0,0,0,0|0,0,2]=4 3102 B12R1.27 CCC(=O)C=Cc1ccccc1 1458a_100000210462_100000210202 [0,2,0,0,0,0|0,0,0]=2 3103 B12R1.27 CCC(=O)C=Cc1ccccn1 1458a_100000740811_100000210202 [0,2,0,0,0,0|1,0,0]=3 3104 B12R1.27 CCC(=O)C=Cc1cccnc1 1458a_100000735890_100000210202 [0,2,0,0,0,0|1,0,0]=3 3105 B12R1.27 CCC(=O)C=Cc1ccncc1 1458a_100000682801_100000210202 [0,2,0,0,0,0|1,0,0]=3 3106 B12R1.27 CCC(=O)C=Cc1cncnc1 6a_100000749868_100000211110 [0,2,0,0,0,0|2,0,0]=4 3107 B12R1.27 CCC(=O)CCc1ccccc1 1458a_100000185753_100000210202 [0,2,0,0,0,0|0,0,2]=4 3108 B12R1.27 CCC(=O)CCc1ccccc1 1458a_100000210414_100000765856 [0,2,0,0,0,0|0,0,2]=4 3109 B12R1.27 CCC(=O)COc1ccccc1 1458a_100000186222_100000210202 [0,2,0,0,0,0|1,0,1]=4 3110 B12R1.27 CCC(=O)COc1ccccc1 7a_100000210340_100000747405 [0,2,0,0,0,0|1,0,1]=4 3111 B12R1.27 CCC(=O)CSc1ccccc1 1458a_100000211596_100000210202 [0,2,0,0,0,0|1,0,1]=4 3112 B12R1.27 CCC(=O)CSc1ccccc1 62a_100000719477_100000747405 [0,2,0,0,0,0|1,0,1]=4 3113 B12R1.27 CCC(=O)CSc1ccccc1 62a_100000747405_100000041952 [0,2,0,0,0,0|1,0,1]=4 3114 B12R1.27 CCC(=O)NCc1ccccc1 11a_100015324214_100000210414 [0,2,0,0,0,0|1,0,1]=4 3115 B12R1.27 CCC(=O)NCc1ccccc1 1626a_100015324214_100000210414 [0,2,0,0,0,0|1,0,1]=4 3116 B12R1.27 CCC(=O)NCc1ccccc1 240690a_100015324214_100000210414 [0,2,0,0,0,0|1,0,1]=4 3117 B12R1.27 CCC(=O)NCc1ccccc1 527a_100015324214_100000210414 [0,2,0,0,0,0|1,0,1]=4 3118 B12R1.27 CCC(=O)NNc1ccccc1 22a_100015195140_100000210414 [0,2,0,0,0,0|2,0,0]=4 3119 B12R1.27 CNC(=O)C#Cc1ccccc1 240690a_100102657272_100000736102 [0,2,0,0,0,0|0,0,2]=4 3120 B12R1.27 CNC(=O)C=Cc1ccccc1 11a_106832991635_100000210462 [0,2,0,0,0,0|0,0,0]=2 3121 B12R1.27 CNC(=O)C=Cc1ccccc1 1626a_100102657272_100000210462 [0,2,0,0,0,0|0,0,0]=2 3122 B12R1.27 CNC(=O)C=Cc1ccccn1 11a_106832991635_100000740811 [0,2,0,0,0,0|1,0,0]=3 3123 B12R1.27 CNC(=O)C=Cc1ccccn1 240690a_100102657272_100000740811 [0,2,0,0,0,0|1,0,0]=3 3124 B12R1.27 CNC(=O)C=Cc1cccnc1 11a_106832991635_100000735890 [0,2,0,0,0,0|1,0,0]=3 3125 B12R1.27 CNC(=O)C=Cc1cccnc1 240690a_100102657272_100000735890 [0,2,0,0,0,0|1,0,0]=3 3126 B12R1.27 CNC(=O)C=Cc1ccncc1 240690a_100102657272_100000682801 [0,2,0,0,0,0|1,0,0]=3 3127 B12R1.27 CNC(=O)CCc1ccccc1 11a_106832991635_100000185753 [0,2,0,0,0,0|0,0,2]=4 3128 B12R1.27 CNC(=O)CCc1ccccc1 1626a_100102657272_100000185753 [0,2,0,0,0,0|0,0,2]=4 3129 B12R1.27 CNC(=O)CCc1ccccc1 240690a_100102657272_100000185753 [0,2,0,0,0,0|0,0,2]=4 3130 B12R1.27 CNC(=O)CCc1ccccc1 527a_100102657272_100000185753 [0,2,0,0,0,0|0,0,2]=4 3131 B12R1.27 CNC(=O)CNc1ccccc1 34a_100000106764_100000183359 [0,2,0,0,0,0|1,0,1]=4 3132 B12R1.27 CNC(=O)COc1ccccc1 11a_106832991635_100000186222 [0,2,0,0,0,0|1,0,1]=4 3133 B12R1.27 CNC(=O)COc1ccccc1 1626a_100102657272_100000186222 [0,2,0,0,0,0|1,0,1]=4 3134 B12R1.27 CNC(=O)COc1ccccc1 240690a_100102657272_100000186222 [0,2,0,0,0,0|1,0,1]=4 3135 B12R1.27 CNC(=O)COc1ccccc1 34a_100000210340_100000183359 [0,2,0,0,0,0|1,0,1]=4 3136 B12R1.27 CNC(=O)COc1ccccc1 527a_100102657272_100000186222 [0,2,0,0,0,0|1,0,1]=4 3137 B12R1.27 CNC(=O)COc1ccccc1 7a_100000210340_100000183359 [0,2,0,0,0,0|1,0,1]=4 3138 B12R1.27 CNC(=O)CSc1ccccc1 11a_106832991635_100000211596 [0,2,0,0,0,0|1,0,1]=4 3139 B12R1.27 CNC(=O)CSc1ccccc1 1626a_100102657272_100000211596 [0,2,0,0,0,0|1,0,1]=4 3140 B12R1.27 CNC(=O)CSc1ccccc1 240690a_100102657272_100000211596 [0,2,0,0,0,0|1,0,1]=4 3141 B12R1.27 CNC(=O)CSc1ccccc1 527a_100102657272_100000211596 [0,2,0,0,0,0|1,0,1]=4 3142 B12R1.27 CNC(=O)CSc1ccccc1 62a_100000183359_100000041952 [0,2,0,0,0,0|1,0,1]=4 3143 B12R1.27 CNC(=O)CSc1ccccc1 62a_100000719477_100000183359 [0,2,0,0,0,0|1,0,1]=4 3144 B12R1.27 CNC(=O)NCc1ccccc1 2708a_100015324214_106832991635 [0,2,0,0,0,0|1,0,1]=4 3145 B12R1.27 CNC(=O)NCc1ccccc1 2708a_100102657272_100015324214 [0,2,0,0,0,0|1,0,1]=4 3146 B12R1.27 CNC(=O)NCc1ccccc1 273464a_100015324214_100102657272 [0,2,0,0,0,0|1,0,1]=4 3147 B12R1.27 CNC(=O)NCc1ccccc1 273464a_100102657272_100015324214 [0,2,0,0,0,0|1,0,1]=4 3148 B12R1.27 CNC(=O)NCc1ccccc1 512a_100015324214_100102657272 [0,2,0,0,0,0|1,0,1]=4 3149 B12R1.27 CNC(=O)NCc1ccccc1 512a_106832991638_100015324214 [0,2,0,0,0,0|1,0,1]=4 3150 B12R1.27 CNC(=O)NNc1ccccc1 273464a_100102657272_100015195140 [0,2,0,0,0,0|2,0,0]=4 3151 B12R1.27 CNC(=O)NNc1ccccc1 512a_106832991638_100015195140 [0,2,0,0,0,0|2,0,0]=4 3152 B12R1.27 COC(=O)CNc1ccccc1 34a_100000106764_100000747449 [0,2,0,0,0,0|1,0,1]=4 3153 B12R1.27 COC(=O)COc1ccccc1 34a_100000210340_100000747449 [0,2,0,0,0,0|1,0,1]=4 3154 B12R1.27 COC(=O)COc1ccccc1 7a_100000210340_100000747449 [0,2,0,0,0,0|1,0,1]=4 3155 B12R1.27 COC(=O)CSc1ccccc1 62a_100000719477_100000747449 [0,2,0,0,0,0|1,0,1]=4 3156 B12R1.27 COC(=O)CSc1ccccc1 62a_100000747449_100000041952 [0,2,0,0,0,0|1,0,1]=4 3157 B12R1.27 O=C(C#Cc1ccccc1)CF 1458a_100000736102_100015361967 [0,2,0,0,0,0|0,0,2]=4 3158 B12R1.27 O=C(C=Cc1ccccc1)CF 1458a_100000210462_100015361967 [0,2,0,0,0,0|0,0,0]=2 3159 B12R1.27 O=C(C=Cc1ccccn1)CF 1458a_100000740811_100015361967 [0,2,0,0,0,0|1,0,0]=3 3160 B12R1.27 O=C(C=Cc1cccnc1)CF 1458a_100000735890_100015361967 [0,2,0,0,0,0|1,0,0]=3 3161 B12R1.27 O=C(C=Cc1ccncc1)CF 1458a_100000682801_100015361967 [0,2,0,0,0,0|1,0,0]=3 3162 B12R1.27 O=C(C=Cc1cncnc1)CBr 6a_100000749868_100009888967 [0,2,0,0,0,0|2,0,0]=4 3163 B12R1.27 O=C(C=Cc1cncnc1)CCl 6a_100000749868_100000086384 [0,2,0,0,0,0|2,0,0]=4 3164 B12R1.27 O=C(C=Cc1cncnc1)CF 6a_100000749868_100000764096 [0,2,0,0,0,0|2,0,0]=4 3165 B12R1.27 O=C(CF)CCc1ccccc1 1458a_100000185753_100015361967 [0,2,0,0,0,0|0,0,2]=4 3166 B12R1.27 O=C(CF)COc1ccccc1 1458a_100000186222_100015361967 [0,2,0,0,0,0|1,0,1]=4 3167 B12R1.27 O=C(CF)CSc1ccccc1 1458a_100000211596_100015361967 [0,2,0,0,0,0|1,0,1]=4 3168 B12R1.27 O=C(CO)CCc1ccccc1 1458a_100000210174_100000765856 [0,2,0,0,0,0|0,0,2]=4 3169 B12R1.27 O=C(CO)NCc1ccccc1 240690a_100015324214_100000210174 [0,2,0,0,0,0|1,0,1]=4 3170 B12R1.27 O=C(CO)NCc1ccccc1 527a_100015324214_100000210174 [0,2,0,0,0,0|1,0,1]=4 3171 B12R1.27 O=C(CO)NNc1ccccc1 22a_100015195140_100000210174 [0,2,0,0,0,0|2,0,0]=4 3172 B12R1.32 C/C(=C\c1ccccc1)/CO[13CH3] 34a_200025717232_200025704644 [0,2,0,0,0,0|0,0,2]=4 3173 B12R1.32 C/C(=C\c1ccccc1)/CO[13CH3] 7a_200025717232_200025704644 [0,2,0,0,0,0|0,0,2]=4 3174 B12R1.32 C=CCC(=O)Cc1ccccc1 1458a_100000210193_100015291786 [0,2,0,0,0,0|1,0,1]=4 3175 B12R1.32 C=CCC(=O)Nc1ccccc1 11a_100000106764_100000210193 [0,2,0,0,0,0|1,0,1]=4 3176 B12R1.32 C=CCC(=O)Nc1ccccc1 1626a_100000106764_100000210193 [0,2,0,0,0,0|1,0,1]=4 3177 B12R1.32 C=CCC(=O)Nc1ccccc1 22a_100000106764_100000210193 [0,2,0,0,0,0|1,0,1]=4 3178 B12R1.32 C=CCC(=O)Nc1ccccc1 527a_100000106764_100000210193 [0,2,0,0,0,0|1,0,1]=4 3179 B12R1.32 CC=CC(=O)Cc1ccccc1 1458a_100000210699_100015291786 [0,2,0,0,0,0|1,0,0]=3 3180 B12R1.32 CC=CC(=O)Cc1ccccn1 1458a_100000210699_100000721315 [0,2,0,0,0,0|2,0,0]=4 3181 B12R1.32 CC=CC(=O)Cc1cccnc1 1458a_100000210699_100000733263 [0,2,0,0,0,0|2,0,0]=4 3182 B12R1.32 CC=CC(=O)Cc1ccncc1 1458a_100000210699_100000705612 [0,2,0,0,0,0|2,0,0]=4 3183 B12R1.32 CC=CC(=O)Nc1ccccc1 11a_100000106764_100000210699 [0,2,0,0,0,0|1,0,0]=3 3184 B12R1.32 CC=CC(=O)Nc1ccccc1 1626a_100000106764_100000210699 [0,2,0,0,0,0|1,0,0]=3 3185 B12R1.32 CC=CC(=O)Nc1ccccc1 22a_100000106764_100000210699 [0,2,0,0,0,0|1,0,0]=3 3186 B12R1.32 CN(CC=O)Cc1ccccc1 2230a_100000186898_200015260668 [0,2,0,0,0,0|0,0,2]=4 3187 B12R1.32 CN(CC=O)Cc1ccccc1 269982a_100000186898_200015260668 [0,2,0,0,0,0|0,0,2]=4 3188 B12R1.32 COC/C(=C/c1ccccc1)/C 34a_200025717232_200000210301 [0,2,0,0,0,0|0,0,2]=4 3189 B12R1.32 COC/C(=C/c1ccccc1)/C 7a_200025717232_200000210301 [0,2,0,0,0,0|0,0,2]=4 3190 B12R1.32 O=C(C=CBr)Cc1ccccc1 1458a_100016273825_100015291786 [0,2,0,0,0,0|1,0,0]=3 3191 B12R1.32 O=C(C=CBr)Cc1ccccn1 1458a_100016273825_100000721315 [0,2,0,0,0,0|2,0,0]=4 3192 B12R1.32 O=C(C=CBr)Cc1cccnc1 1458a_100016273825_100000733263 [0,2,0,0,0,0|2,0,0]=4 3193 B12R1.32 O=C(C=CBr)Cc1ccncc1 1458a_100016273825_100000705612 [0,2,0,0,0,0|2,0,0]=4 3194 B12R1.32 O=C(C=CBr)Nc1ccccc1 1626a_100000106764_100016273825 [0,2,0,0,0,0|1,0,0]=3 3195 B12R1.32 O=C(C=CCl)Cc1ccccc1 1458a_200016279998_100015291786 [0,2,0,0,0,0|1,0,0]=3 3196 B12R1.32 O=C(C=CCl)Cc1ccccn1 1458a_200016279998_100000721315 [0,2,0,0,0,0|2,0,0]=4 3197 B12R1.32 O=C(C=CCl)Cc1cccnc1 1458a_200016279998_100000733263 [0,2,0,0,0,0|2,0,0]=4 3198 B12R1.32 O=C(C=CCl)Cc1ccncc1 1458a_200016279998_100000705612 [0,2,0,0,0,0|2,0,0]=4 3199 B12R1.32 O=C(C=CCl)Nc1ccccc1 11a_100000106764_200016279998 [0,2,0,0,0,0|1,0,0]=3 3200 B12R1.32 O=C(C=CCl)Nc1ccccc1 1626a_100000106764_200016279998 [0,2,0,0,0,0|1,0,0]=3 3201 B12R1.32 O=C(C=CI)Cc1ccccc1 1458a_100016256311_100015291786 [0,2,0,0,0,0|1,0,0]=3 3202 B12R1.32 O=C(C=CI)Cc1ccccn1 1458a_100016256311_100000721315 [0,2,0,0,0,0|2,0,0]=4 3203 B12R1.32 O=C(C=CI)Cc1cccnc1 1458a_100016256311_100000733263 [0,2,0,0,0,0|2,0,0]=4 3204 B12R1.32 O=C(C=CI)Cc1ccncc1 1458a_100016256311_100000705612 [0,2,0,0,0,0|2,0,0]=4 3205 B12R1.32 O=C(C=CI)Nc1ccccc1 1626a_100000106764_100016256311 [0,2,0,0,0,0|1,0,0]=3 3206 B12R1.252 C=C(C)C=NNc1ccccc1 4a_100015195140_100000210575 [0,2,0,0,0,0|2,0,0]=4 3207 B12R1.252 CC(=CCNc1ccccc1)C 34a_100000106764_100000761012 [0,2,0,0,0,0|1,0,1]=4 3208 B12R1.252 CC(=CCOc1ccccc1)C 34a_100000210340_100000761012 [0,2,0,0,0,0|1,0,1]=4 3209 B12R1.252 CC(=CCOc1ccccc1)C 7a_100000210340_100000761012 [0,2,0,0,0,0|1,0,1]=4 3210 B12R1.252 CC(=CCSc1ccccc1)C 62a_100000719477_100000761012 [0,2,0,0,0,0|1,0,1]=4 3211 B12R1.252 CC(=CCSc1ccccc1)C 62a_100000761012_100000041952 [0,2,0,0,0,0|1,0,1]=4 3212 B12R1.252 CC(=O)C/C=C/c1ccccc1 1458a_100000070787_100016265936 [0,2,0,0,0,0|0,0,0]=2 3213 B12R1.252 CC(=O)C/C=C/c1ccccc1 1458a_100011219626_200000210301 [0,2,0,0,0,0|0,0,0]=2 3214 B12R1.252 CC(=O)C=CSc1ccccc1 1458a_100016262050_200000210301 [0,2,0,0,0,0|0,0,0]=2 3215 B12R1.252 CC(=O)CC#Cc1ccccc1 1458a_100000070787_100011352542 [0,2,0,0,0,0|0,0,2]=4 3216 B12R1.252 CC(=O)CCCc1ccccc1 1458a_100000070787_100000211621 [0,2,0,0,0,0|0,0,2]=4 3217 B12R1.252 CC(=O)CCCc1ccccc1 1458a_100011207963_200000210301 [0,2,0,0,0,0|0,0,2]=4 3218 B12R1.252 CC(=O)CCOc1ccccc1 1458a_100000070787_100000184471 [0,2,0,0,0,0|0,0,2]=4 3219 B12R1.252 CC(=O)CCOc1ccccc1 1458a_100000182761_200000210301 [0,2,0,0,0,0|0,0,2]=4 3220 B12R1.252 CC(=O)CCOc1ccccc1 7a_100000210340_100000053229 [0,2,0,0,0,0|0,0,2]=4 3221 B12R1.252 CC(=O)CCSc1ccccc1 1458a_100000070787_100000246102 [0,2,0,0,0,0|0,0,2]=4 3222 B12R1.252 CC(=O)CCSc1ccccc1 1458a_100000182436_200000210301 [0,2,0,0,0,0|0,0,2]=4 3223 B12R1.252 CC(=O)CCSc1ccccc1 62a_100000053229_100000041952 [0,2,0,0,0,0|0,0,2]=4 3224 B12R1.252 CC(=O)CCSc1ccccc1 62a_100000719477_100000053229 [0,2,0,0,0,0|0,0,2]=4 3225 B12R1.252 CC(=O)COCc1ccccc1 1458a_100000230186_200000210301 [0,2,0,0,0,0|0,0,2]=4 3226 B12R1.252 CC(=O)COCc1ccccc1 34a_100000211253_100015291786 [0,2,0,0,0,0|0,0,2]=4 3227 B12R1.252 CC(=O)CSCc1ccccc1 1458a_100000070787_200011217039 [0,2,0,0,0,0|0,0,2]=4 3228 B12R1.252 CC(=O)CSCc1ccccc1 1458a_100000150264_200000210301 [0,2,0,0,0,0|0,0,2]=4 3229 B12R1.252 CC(=O)NCCc1ccccc1 11a_100000106460_100015343762 [0,2,0,0,0,0|0,0,2]=4 3230 B12R1.252 CC(=O)NCCc1ccccc1 1626a_100000106460_100015343762 [0,2,0,0,0,0|0,0,2]=4 3231 B12R1.252 CC(=O)NCCc1ccccc1 240690a_100000106460_100015343762 [0,2,0,0,0,0|0,0,2]=4 3232 B12R1.252 CC(=O)NCCc1ccccc1 527a_100000106460_100103153847 [0,2,0,0,0,0|0,0,2]=4 3233 B12R1.252 CC(=O)NN=Cc1ccccc1 4a_100000189765_100015611070 [0,2,0,0,0,0|1,0,0]=3 3234 B12R1.252 CC(=O)NN=Cc1ccccn1 4a_100000189765_100000209966 [0,2,0,0,0,0|2,0,0]=4 3235 B12R1.252 CC(=O)NN=Cc1cccnc1 4a_100000189765_100000209961 [0,2,0,0,0,0|2,0,0]=4 3236 B12R1.252 CC(=O)NN=Cc1ccncc1 4a_100000189765_100000186114 [0,2,0,0,0,0|2,0,0]=4 3237 B12R1.252 CC(=O)NNCc1ccccc1 22a_100000007032_100000070787 [0,2,0,0,0,0|1,0,1]=4 3238 B12R1.252 CC(=O)OCNc1ccccc1 34a_100000106764_100009813279 [0,2,0,0,0,0|1,0,1]=4 3239 B12R1.252 CC(=O)OCOc1ccccc1 34a_100000210340_100009813279 [0,2,0,0,0,0|1,0,1]=4 3240 B12R1.252 CC(=O)OCSc1ccccc1 62a_100000076356_100000041952 [0,2,0,0,0,0|1,0,1]=4 3241 B12R1.252 CC(=O)OCSc1ccccc1 62a_100000719477_100000076356 [0,2,0,0,0,0|1,0,1]=4 3242 B12R1.252 CC(C)CC=Cc1ccccc1 271570a_100016259101_100000210277 [0,2,0,0,0,0|1,0,1]=4 3243 B12R1.252 CN(C)C/C=C/c1ccccc1 2230a_100102631434_100016265936 [0,2,0,0,0,0|1,0,1]=4 3244 B12R1.252 CN(C)C/C=C/c1ccccc1 269982a_100102631434_100016265936 [0,2,0,0,0,0|1,0,1]=4 3245 B12R1.252 CN(C)CC=Cc1ccccc1 270004a_100102631434_100000210105 [0,2,0,0,0,0|1,0,1]=4 3246 B12R1.252 NC(=O)CCNc1ccccc1 34a_100000106764_100000731001 [0,2,0,0,0,0|0,0,2]=4 3247 B12R1.252 NC(=O)CCOc1ccccc1 34a_100000210340_100000731001 [0,2,0,0,0,0|0,0,2]=4 3248 B12R1.252 NC(=O)CCOc1ccccc1 7a_100000210340_100000744528 [0,2,0,0,0,0|0,0,2]=4 3249 B12R1.252 NC(=O)CCSc1ccccc1 62a_100000719477_100000744528 [0,2,0,0,0,0|0,0,2]=4 3250 B12R1.252 NC(=O)CCSc1ccccc1 62a_100000744528_100000041952 [0,2,0,0,0,0|0,0,2]=4 3251 B12R1.252 NC(=O)CNCc1ccccc1 2230a_100000711301_100015291786 [0,2,0,0,0,0|0,0,2]=4 3252 B12R1.252 NC(=O)CNCc1ccccc1 2230a_100015324214_100000747473 [0,2,0,0,0,0|0,0,2]=4 3253 B12R1.252 NC(=O)CNCc1ccccc1 34a_100015324214_100000187820 [0,2,0,0,0,0|0,0,2]=4 3254 B12R1.252 NC(=O)COCc1ccccc1 34a_100000210790_100000187820 [0,2,0,0,0,0|0,0,2]=4 3255 B12R1.252 NC(=O)COCc1ccccc1 7a_100000210790_100000187820 [0,2,0,0,0,0|0,0,2]=4 3256 B12R1.252 NC(=O)CSCc1ccccc1 62a_100000211182_100000747473 [0,2,0,0,0,0|0,0,2]=4 3257 B12R1.252 NC(=O)CSCc1ccccc1 62a_100000747473_100015291786 [0,2,0,0,0,0|0,0,2]=4 3258 B12R1.252 O=C(O)CNCc1ccccc1 269956a_100016091260_100015291786 [0,2,0,0,0,0|0,0,2]=4 3259 B12R1.252 O=C([O-])CNCc1ccccc1 34a_100015324214_100020667443 [0,2,0,0,0,0|0,0,2]=4 3260 B12R1.252 O=C([O-])COCc1ccccc1 34a_100000210790_100020667443 [0,2,0,0,0,0|0,0,2]=4 3261 B12R1.252 O=C([O-])CSCc1ccccc1 62a_100000211182_100020667443 [0,2,0,0,0,0|0,0,2]=4 3262 B12R1.252 O=C([O-])CSCc1ccccc1 62a_100020667443_100015291786 [0,2,0,0,0,0|0,0,2]=4 3263 B12R1.252 [13CH3]C(=O)C/C=C/c1ccccc1 1458a_100011219626_200025704644 [0,2,0,0,0,0|0,0,0]=2 3264 B12R1.252 [13CH3]C(=O)C=CSc1ccccc1 1458a_100016262050_200025704644 [0,2,0,0,0,0|0,0,0]=2 3265 B12R1.252 [13CH3]C(=O)CCCc1ccccc1 1458a_100011207963_200025704644 [0,2,0,0,0,0|0,0,2]=4 3266 B12R1.252 [13CH3]C(=O)CCOc1ccccc1 1458a_100000182761_200025704644 [0,2,0,0,0,0|0,0,2]=4 3267 B12R1.252 [13CH3]C(=O)CCSc1ccccc1 1458a_100000182436_200025704644 [0,2,0,0,0,0|0,0,2]=4 3268 B12R1.252 [13CH3]C(=O)COCc1ccccc1 1458a_100000230186_200025704644 [0,2,0,0,0,0|0,0,2]=4 3269 B12R1.252 [13CH3]C(=O)CSCc1ccccc1 1458a_100000150264_200025704644 [0,2,0,0,0,0|0,0,2]=4 3270 B12R1.43 C/C(=C\c1ccccc1)/C(=O)[13CH3] 1458a_100016990649_200025704644 [0,2,0,0,0,0|0,0,0]=2 3271 B12R1.43 C/C(=C\c1ccccn1)/C(=O)[13CH3] 1458a_100025712827_200025704644 [0,2,0,0,0,0|1,0,0]=3 3272 B12R1.43 C=C(Br)C(=O)Nc1ccccc1 11a_100000106764_100009813364 [0,2,0,0,0,0|2,0,0]=4 3273 B12R1.43 C=C(Br)C(=O)Nc1ccccc1 1626a_100000106764_100009813364 [0,2,0,0,0,0|2,0,0]=4 3274 B12R1.43 C=C(C)C(=O)Cc1ccccc1 1458a_100000185857_100015291786 [0,2,0,0,0,0|1,0,1]=4 3275 B12R1.43 C=C(C)C(=O)Nc1ccccc1 11a_100000106764_100000185857 [0,2,0,0,0,0|2,0,0]=4 3276 B12R1.43 C=C(C)C(=O)Nc1ccccc1 1626a_100000106764_100000185857 [0,2,0,0,0,0|2,0,0]=4 3277 B12R1.43 C=C(C)C(=O)Nc1ccccc1 22a_100000106764_100000185857 [0,2,0,0,0,0|2,0,0]=4 3278 B12R1.43 C=C(Cl)C(=O)Nc1ccccc1 11a_100000106764_100000039160 [0,2,0,0,0,0|2,0,0]=4 3279 B12R1.43 C=C(Cl)C(=O)Nc1ccccc1 1626a_100000106764_100000039160 [0,2,0,0,0,0|2,0,0]=4 3280 B12R1.43 C=C(Cl)C(=O)Nc1ccccc1 22a_100000106764_100000039160 [0,2,0,0,0,0|2,0,0]=4 3281 B12R1.43 C=C(F)C(=O)Nc1ccccc1 11a_100000106764_100000036797 [0,2,0,0,0,0|2,0,0]=4 3282 B12R1.43 C=C(F)C(=O)Nc1ccccc1 1626a_100000106764_100000036797 [0,2,0,0,0,0|2,0,0]=4 3283 B12R1.43 C=C(F)C(=O)Nc1ccccc1 22a_100000106764_100000036797 [0,2,0,0,0,0|2,0,0]=4 3284 B12R1.43 CC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_200000210301 [0,2,0,0,0,0|0,0,0]=2 3285 B12R1.43 CC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_200000210301 [0,2,0,0,0,0|0,0,0]=2 3286 B12R1.43 CC(=O)/C(=C/c1ccccn1)/C 1458a_100025712827_200000210301 [0,2,0,0,0,0|1,0,0]=3 3287 B12R1.43 CC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_200000210301 [0,2,0,0,0,0|0,0,0]=2 3288 B12R1.43 CC(=O)C(=Cc1cccnc1)F 1458a_100000731744_200000210301 [0,2,0,0,0,0|1,0,0]=3 3289 B12R1.43 CC(=O)C(=O)Nc1ccccc1 1458a_100000738435_200000210301 [0,2,0,0,0,0|1,0,0]=3 3290 B12R1.43 CC(=O)C(C)Cc1ccccc1 1458a_100000070787_200011218536 [0,2,0,0,0,0|0,0,2]=4 3291 B12R1.43 CC(=O)C(C)Cc1ccccc1 1458a_100000754839_200000210301 [0,2,0,0,0,0|0,0,2]=4 3292 B12R1.43 CC(=O)C(C)Oc1ccccc1 1458a_100000188414_200000210301 [0,2,0,0,0,0|1,0,1]=4 3293 B12R1.43 CC(=O)C(C)Oc1ccccc1 7a_100000210340_100000179758 [0,2,0,0,0,0|1,0,1]=4 3294 B12R1.43 CC(=O)C(C)Sc1ccccc1 1458a_100000199063_200000210301 [0,2,0,0,0,0|1,0,1]=4 3295 B12R1.43 CC(=O)C(C)Sc1ccccc1 62a_100000719477_100009814033 [0,2,0,0,0,0|1,0,1]=4 3296 B12R1.43 CC(=O)C(C)Sc1ccccc1 62a_100009814033_100000041952 [0,2,0,0,0,0|1,0,1]=4 3297 B12R1.43 CC(=O)N(C)Cc1ccccc1 11a_100000186898_100015343762 [0,2,0,0,0,0|1,0,1]=4 3298 B12R1.43 CC(=O)N(C)Cc1ccccc1 1626a_100000186898_100015343762 [0,2,0,0,0,0|1,0,1]=4 3299 B12R1.43 CC(=O)N(C)Cc1ccccc1 240690a_100000186898_100015343762 [0,2,0,0,0,0|1,0,1]=4 3300 B12R1.43 CC(=O)N(C)Cc1ccccc1 527a_100000186898_100103153847 [0,2,0,0,0,0|1,0,1]=4 3301 B12R1.43 CC(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_200000210301 [0,2,0,0,0,0|0,0,2]=4 3302 B12R1.43 CC(Cc1ccccc1)C(=O)[13CH3] 1458a_100000754839_200025704644 [0,2,0,0,0,0|0,0,2]=4 3303 B12R1.43 CC(Nc1ccccc1)C(=O)N 34a_100000106764_100000702099 [0,2,0,0,0,0|1,0,1]=4 3304 B12R1.43 CC(Oc1ccccc1)C(=O)N 34a_100000210340_100000702099 [0,2,0,0,0,0|1,0,1]=4 3305 B12R1.43 CC(Oc1ccccc1)C(=O)N 7a_100000210340_100000702099 [0,2,0,0,0,0|1,0,1]=4 3306 B12R1.43 CC(Oc1ccccc1)C(=O)[13CH3] 1458a_100000188414_200025704644 [0,2,0,0,0,0|1,0,1]=4 3307 B12R1.43 CC(Sc1ccccc1)C(=O)N 62a_100000702099_100000041952 [0,2,0,0,0,0|1,0,1]=4 3308 B12R1.43 CC(Sc1ccccc1)C(=O)N 62a_100000719477_100000702099 [0,2,0,0,0,0|1,0,1]=4 3309 B12R1.43 CC(Sc1ccccc1)C(=O)[13CH3] 1458a_100000199063_200025704644 [0,2,0,0,0,0|1,0,1]=4 3310 B12R1.43 NC(=O)C(=O)Nc1ccccc1 22a_100000106764_100011215815 [0,2,0,0,0,0|1,0,0]=3 3311 B12R1.43 NC(=O)C(F)Nc1ccccc1 34a_100000106764_100009813875 [0,2,0,0,0,0|1,0,1]=4 3312 B12R1.43 NC(=O)C(F)Oc1ccccc1 34a_100000210340_100009813875 [0,2,0,0,0,0|1,0,1]=4 3313 B12R1.43 NC(=O)C(F)Oc1ccccc1 7a_100000210340_100009813875 [0,2,0,0,0,0|1,0,1]=4 3314 B12R1.43 NC(=O)C(F)Sc1ccccc1 62a_100000719477_100009813875 [0,2,0,0,0,0|1,0,1]=4 3315 B12R1.43 NC(=O)C(F)Sc1ccccc1 62a_100009813875_100000041952 [0,2,0,0,0,0|1,0,1]=4 3316 B12R1.43 O=C([O-])C(F)Nc1ccccc1 34a_100000106764_100020610796 [0,2,0,0,0,0|1,0,1]=4 3317 B12R1.43 O=C([O-])C(F)Oc1ccccc1 34a_100000210340_100020610796 [0,2,0,0,0,0|1,0,1]=4 3318 B12R1.43 O=C([O-])C(F)Sc1ccccc1 62a_100000719477_100020610796 [0,2,0,0,0,0|1,0,1]=4 3319 B12R1.43 O=C([O-])C(F)Sc1ccccc1 62a_100020610796_100000041952 [0,2,0,0,0,0|1,0,1]=4 3320 B12R1.43 [13CH3]C(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_200025704644 [0,2,0,0,0,0|0,0,0]=2 3321 B12R1.43 [13CH3]C(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_200025704644 [0,2,0,0,0,0|0,0,0]=2 3322 B12R1.43 [13CH3]C(=O)C(=Cc1cccnc1)F 1458a_100000731744_200025704644 [0,2,0,0,0,0|1,0,0]=3 3323 B12R1.43 [13CH3]C(=O)C(=O)Nc1ccccc1 1458a_100000738435_200025704644 [0,2,0,0,0,0|1,0,0]=3 3324 B12R1.43 [13CH3]C(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_200025704644 [0,2,0,0,0,0|0,0,2]=4 3325 B12R1.118 O=CC(C=O)Nc1ccccc1 34a_100000106764_100000736813 [0,2,0,0,0,0|1,0,1]=4 3326 B12R1.118 O=CC(C=O)Oc1ccccc1 34a_100000210340_100000736813 [0,2,0,0,0,0|1,0,1]=4 3327 B12R1.118 O=CC(C=O)Sc1ccccc1 62a_100000719477_100000736813 [0,2,0,0,0,0|1,0,1]=4 3328 B12R1.118 O=CC(C=O)Sc1ccccc1 62a_100000736813_100000041952 [0,2,0,0,0,0|1,0,1]=4 3329 B12R1.891 CC(C)(C)C=Cc1ccccc1 271570a_100102527731_100000210277 [0,2,0,0,0,0|1,0,1]=4 3330 B12R1.891 CC(C)(O)C=Cc1ccccc1 271570a_200016258132_100000210277 [0,2,0,0,0,0|0,0,2]=4 3331 B10R1.30 C=Cc1cc(c[nH]c1=O)F 271570a_100011290941_100009817720 [0,0,1,1,0,0|2,0,0]=4 3332 B10R1.30 C=Cc1cc(ccc1Br)Br 271570a_100011290941_100011483371 [0,0,1,1,0,0|2,0,0]=4 3333 B10R1.30 C=Cc1cc(ccc1Br)C 271570a_100011290941_100012353751 [0,0,1,1,0,0|1,0,1]=4 3334 B10R1.30 C=Cc1cc(ccc1Br)Cl 271570a_100011290941_100012339723 [0,0,1,1,0,0|2,0,0]=4 3335 B10R1.30 C=Cc1cc(ccc1Br)F 271570a_100011290941_100011217576 [0,0,1,1,0,0|2,0,0]=4 3336 B10R1.30 C=Cc1cc(ccc1Br)N 271570a_100011290941_100000750459 [0,0,1,1,0,0|2,0,0]=4 3337 B10R1.30 C=Cc1cc(ccc1Br)O 271570a_100011290941_100012339312 [0,0,1,1,0,0|2,0,0]=4 3338 B10R1.30 C=Cc1cc(ccc1C)Br 271570a_100011290941_100011344865 [0,0,1,1,0,0|2,0,0]=4 3339 B10R1.30 C=Cc1cc(ccc1C)C 271570a_100011290941_100000210833 [0,0,1,1,0,0|1,0,1]=4 3340 B10R1.30 C=Cc1cc(ccc1C)Cl 271570a_100011290941_100011263213 [0,0,1,1,0,0|2,0,0]=4 3341 B10R1.30 C=Cc1cc(ccc1C)F 271570a_100011290941_100011218078 [0,0,1,1,0,0|2,0,0]=4 3342 B10R1.30 C=Cc1cc(ccc1C)N 271570a_100011290941_100000736455 [0,0,1,1,0,0|2,0,0]=4 3343 B10R1.30 C=Cc1cc(ccc1C)O 271570a_100011290941_100011380479 [0,0,1,1,0,0|2,0,0]=4 3344 B10R1.30 C=Cc1cc(ccc1Cl)Br 271570a_100011290941_100011772130 [0,0,1,1,0,0|2,0,0]=4 3345 B10R1.30 C=Cc1cc(ccc1Cl)C 271570a_100011290941_100012356289 [0,0,1,1,0,0|1,0,1]=4 3346 B10R1.30 C=Cc1cc(ccc1Cl)Cl 271570a_100011290941_100000707729 [0,0,1,1,0,0|2,0,0]=4 3347 B10R1.30 C=Cc1cc(ccc1Cl)F 271570a_100011290941_100011217299 [0,0,1,1,0,0|2,0,0]=4 3348 B10R1.30 C=Cc1cc(ccc1Cl)N 271570a_100011290941_100012360549 [0,0,1,1,0,0|2,0,0]=4 3349 B10R1.30 C=Cc1cc(ccc1Cl)O 271570a_100011290941_100000049588 [0,0,1,1,0,0|2,0,0]=4 3350 B10R1.30 C=Cc1cc(ccc1F)Br 271570a_100011290941_100011217312 [0,0,1,1,0,0|2,0,0]=4 3351 B10R1.30 C=Cc1cc(ccc1F)C 271570a_100011290941_100000736223 [0,0,1,1,0,0|1,0,1]=4 3352 B10R1.30 C=Cc1cc(ccc1F)Cl 271570a_100011290941_100011218116 [0,0,1,1,0,0|2,0,0]=4 3353 B10R1.30 C=Cc1cc(ccc1F)F 271570a_100011290941_100000750033 [0,0,1,1,0,0|2,0,0]=4 3354 B10R1.30 C=Cc1cc(ccc1F)N 271570a_100011290941_100000760356 [0,0,1,1,0,0|2,0,0]=4 3355 B10R1.30 C=Cc1cc(ccc1F)O 271570a_100011290941_100000693481 [0,0,1,1,0,0|2,0,0]=4 3356 B10R1.30 C=Cc1cc(ccc1N)Br 271570a_100011290941_100000187925 [0,0,1,1,0,0|2,0,0]=4 3357 B10R1.30 C=Cc1cc(ccc1N)C 271570a_100011290941_100000210942 [0,0,1,1,0,0|1,0,1]=4 3358 B10R1.30 C=Cc1cc(ccc1N)Cl 271570a_100011290941_100000761889 [0,0,1,1,0,0|2,0,0]=4 3359 B10R1.30 C=Cc1cc(ccc1N)F 271570a_100011290941_100000760547 [0,0,1,1,0,0|2,0,0]=4 3360 B10R1.30 C=Cc1cc(ccc1N)N 271570a_100011290941_100011534242 [0,0,1,1,0,0|2,0,0]=4 3361 B10R1.30 C=Cc1cc(ccc1N)O 271570a_100011290941_100012001276 [0,0,1,1,0,0|2,0,0]=4 3362 B10R1.30 C=Cc1cc(ccc1O)Br 271570a_100011290941_100012355227 [0,0,1,1,0,0|1,0,1]=4 3363 B10R1.30 C=Cc1cc(ccc1O)C 271570a_100011290941_100000765521 [0,0,1,1,0,0|0,0,2]=4 3364 B10R1.30 C=Cc1cc(ccc1O)Cl 271570a_100011290941_100011356953 [0,0,1,1,0,0|1,0,1]=4 3365 B10R1.30 C=Cc1cc(ccc1O)F 271570a_100011290941_100000211999 [0,0,1,1,0,0|1,0,1]=4 3366 B10R1.30 C=Cc1cc(ccc1O)N 271570a_100011290941_100011534360 [0,0,1,1,0,0|1,0,1]=4 3367 B10R1.30 C=Cc1cc(ccc1O)O 271570a_100011290941_100009813629 [0,0,1,1,0,0|1,0,1]=4 3368 B10R1.30 C=Cc1cn(ccc1=O)C 271570a_100011290941_100010750718 [0,0,1,1,0,0|1,0,1]=4 3369 B10R1.30 Cc1ccc(c(c1)C=O)O 271570a_203496583355_100011551863 [0,0,1,1,0,0|1,0,1]=4 3370 B10R1.30 Cc1ccc(cc1C=O)O 271570a_203496583355_100011361606 [0,0,1,1,0,0|1,0,1]=4 3371 B10R1.30 Nc1ccc(cc1C=O)O 271570a_203496583355_100011935258 [0,0,1,1,0,0|2,0,0]=4 3372 B10R1.30 O=Cc1cc(ccc1Br)O 271570a_203496583355_100010185652 [0,0,1,1,0,0|2,0,0]=4 3373 B10R1.30 O=Cc1cc(ccc1Cl)O 271570a_203496583355_100010254384 [0,0,1,1,0,0|2,0,0]=4 3374 B10R1.30 O=Cc1cc(ccc1F)O 271570a_203496583355_100000211465 [0,0,1,1,0,0|2,0,0]=4 3375 B10R1.30 O=Cc1cc(ccc1O)Br 271570a_203496583355_100010185651 [0,0,1,1,0,0|2,0,0]=4 3376 B10R1.30 O=Cc1cc(ccc1O)Cl 271570a_203496583355_100010254386 [0,0,1,1,0,0|2,0,0]=4 3377 B10R1.30 O=Cc1cc(ccc1O)F 271570a_203496583355_100011218309 [0,0,1,1,0,0|2,0,0]=4 3378 B10R1.30 O=Cc1cc(ccc1O)O 271570a_203496583355_100000186750 [0,0,1,1,0,0|2,0,0]=4 3379 B10R1.30 O=Cc1cc(ccc1O)O 271570a_203496583355_100000690577 [0,0,1,1,0,0|2,0,0]=4 3380 B10R1.32 C=Cc1cc(sc1C=O)C 271570a_100011290941_100011361552 [0,0,1,1,0,0|1,0,1]=4 3381 B10R1.20 C=Cc1ccccc1C=O 271570a_100011290941_100000211189 [0,0,1,1,0,0|2,0,0]=4 3382 B10R1.20 C=Cc1cccnc1C=O 271570a_100011290941_100011934733 [0,0,1,1,0,0|2,0,0]=4 3383 B10R1.20 C=Cc1ncccc1C=O 271570a_100011290941_100009816751 [0,0,1,1,0,0|2,0,0]=4 3384 B10R1.35 C=Cc1cc(c(s1)C=O)C 271570a_100011290941_100010221198 [0,0,1,1,0,0|1,0,1]=4 3385 B10R1.96 C=C=Cc1cc(c[nH]1)C=O 271570a_100015277604_100009882863 [0,0,1,1,0,0|1,0,1]=4 3386 B10R1.96 C=C=Cc1cc(cs1)C=O 271570a_100015277604_100000737087 [0,0,1,1,0,0|1,0,1]=4 3387 B10R1.96 C=C=Cc1ccc(o1)C=O 271570a_100015277604_100000185145 [0,0,1,1,0,0|1,0,1]=4 3388 B10R1.96 C=C=Cc1ccc(s1)C=O 271570a_100015277604_100000179771 [0,0,1,1,0,0|1,0,1]=4 3389 B10R1.96 C=C=Cc1coc(c1)C=O 271570a_100015277604_100000747035 [0,0,1,1,0,0|1,0,1]=4 3390 B10R1.96 C=C=Cc1csc(c1)C=O 271570a_100015277604_100000211722 [0,0,1,1,0,0|1,0,1]=4 3391 B10R1.96 CC=Cc1cc(c[nH]1)C=O 271570a_100016259895_100009882863 [0,0,1,1,0,0|1,0,1]=4 3392 B10R1.96 CC=Cc1cc(cs1)C=O 271570a_100016259895_100000737087 [0,0,1,1,0,0|1,0,1]=4 3393 B10R1.96 CC=Cc1ccc(o1)C=O 271570a_100016259895_100000185145 [0,0,1,1,0,0|1,0,1]=4 3394 B10R1.96 CC=Cc1ccc(s1)C=O 271570a_100016259895_100000179771 [0,0,1,1,0,0|1,0,1]=4 3395 B10R1.96 CC=Cc1coc(c1)C=O 271570a_100016259895_100000747035 [0,0,1,1,0,0|1,0,1]=4 3396 B10R1.96 CC=Cc1csc(c1)C=O 271570a_100016259895_100000211722 [0,0,1,1,0,0|1,0,1]=4 3397 B10R1.172 C=Cc1cc(ccn1)C=O 271570a_100011290941_100011290808 [0,0,1,1,0,0|1,0,0]=3 3398 B10R1.172 C=Cc1cccc(c1)C#N 271570a_100011290941_100000189340 [0,0,1,1,0,0|1,0,1]=4 3399 B10R1.172 C=Cc1cccc(c1)C=O 271570a_100011290941_100000014684 [0,0,1,1,0,0|0,0,0]=2 3400 B10R1.172 C=Cc1cccc(c1)CC 271570a_100011290941_100000684523 [0,0,1,1,0,0|1,0,1]=4 3401 B10R1.172 C=Cc1cccc(c1)CF 271570a_100011290941_100010878472 [0,0,1,1,0,0|1,0,1]=4 3402 B10R1.172 C=Cc1cccc(c1)CN 271570a_100011290941_100000106179 [0,0,1,1,0,0|1,0,1]=4 3403 B10R1.172 C=Cc1cccc(c1)CO 271570a_100011290941_100000687537 [0,0,1,1,0,0|0,0,2]=4 3404 B10R1.172 C=Cc1cccc(c1)NC 271570a_100011290941_100000219648 [0,0,1,1,0,0|2,0,0]=4 3405 B10R1.172 C=Cc1cccc(c1)NC 34a_100011827668_200000210301 [0,0,1,1,0,0|2,0,0]=4 3406 B10R1.172 C=Cc1cccc(c1)NN 271570a_100011290941_100000217339 [0,0,1,1,0,0|2,0,0]=4 3407 B10R1.172 C=Cc1cccc(c1)N[13CH3] 34a_100011827668_200025704644 [0,0,1,1,0,0|2,0,0]=4 3408 B10R1.172 C=Cc1cccc(c1)OC 271570a_100011290941_100000170001 [0,0,1,1,0,0|2,0,0]=4 3409 B10R1.172 C=Cc1cccc(c1)OC 34a_100011309434_200000210301 [0,0,1,1,0,0|2,0,0]=4 3410 B10R1.172 C=Cc1cccc(c1)OC 7a_100011309434_200000210301 [0,0,1,1,0,0|2,0,0]=4 3411 B10R1.172 C=Cc1cccc(c1)O[13CH3] 34a_100011309434_200025704644 [0,0,1,1,0,0|2,0,0]=4 3412 B10R1.172 C=Cc1cccc(c1)O[13CH3] 7a_100011309434_200025704644 [0,0,1,1,0,0|2,0,0]=4 3413 B10R1.172 C=Cc1cccc(c1)SC 271570a_100011290941_100011215954 [0,0,1,1,0,0|2,0,0]=4 3414 B10R1.172 C=Cc1cccc(c1)SC 62a_100011215241_200000210301 [0,0,1,1,0,0|2,0,0]=4 3415 B10R1.172 C=Cc1cccc(c1)SC 62a_200000210301_100011215241 [0,0,1,1,0,0|2,0,0]=4 3416 B10R1.172 C=Cc1cccc(c1)S[13CH3] 62a_100011215241_200025704644 [0,0,1,1,0,0|2,0,0]=4 3417 B10R1.172 C=Cc1cccc(c1)S[13CH3] 62a_200025704644_100011215241 [0,0,1,1,0,0|2,0,0]=4 3418 B10R1.172 C=Cc1cccc(n1)C=O 271570a_100011290941_100000688028 [0,0,1,1,0,0|1,0,0]=3 3419 B10R1.172 C=Cc1ccnc(c1)C=O 271570a_100011290941_100011998288 [0,0,1,1,0,0|1,0,0]=3 3420 B10R1.172 C=Cc1cncc(c1)C=O 271570a_100011290941_100000687066 [0,0,1,1,0,0|1,0,0]=3 3421 B10R1.172 CSc1cccc(c1)C=O 62a_100000014684_200000210301 [0,0,1,1,0,0|1,0,1]=4 3422 B10R1.172 CSc1cccc(c1)C=O 62a_200000210301_100000014684 [0,0,1,1,0,0|1,0,1]=4 3423 B10R1.172 [13CH3]Sc1cccc(c1)C=O 62a_100000014684_200025704644 [0,0,1,1,0,0|1,0,1]=4 3424 B10R1.172 [13CH3]Sc1cccc(c1)C=O 62a_200025704644_100000014684 [0,0,1,1,0,0|1,0,1]=4 3425 B10R1.176 C=Cc1c[nH]c(=O)c(c1)Br 271570a_100011290941_100010125443 [0,0,1,1,0,0|2,0,0]=4 3426 B10R1.176 C=Cc1c[nH]c(=O)c(c1)F 271570a_100011290941_100000723523 [0,0,1,1,0,0|2,0,0]=4 3427 B10R1.176 C=Cc1c[nH]c(=O)c(c1)O 271570a_100011290941_100009814561 [0,0,1,1,0,0|2,0,0]=4 3428 B10R1.176 C=Cc1ccc(=O)n(c1)C 271570a_100011290941_100011245003 [0,0,1,1,0,0|1,0,1]=4 3429 B10R1.176 C=Cc1ccc(c(c1)Br)Br 271570a_100011290941_100012356285 [0,0,1,1,0,0|2,0,0]=4 3430 B10R1.176 C=Cc1ccc(c(c1)Br)C 271570a_100011290941_100011847877 [0,0,1,1,0,0|2,0,0]=4 3431 B10R1.176 C=Cc1ccc(c(c1)Br)Cl 271570a_100011290941_100012353702 [0,0,1,1,0,0|2,0,0]=4 3432 B10R1.176 C=Cc1ccc(c(c1)Br)F 271570a_100011290941_100012047266 [0,0,1,1,0,0|2,0,0]=4 3433 B10R1.176 C=Cc1ccc(c(c1)Br)N 271570a_100011290941_100000750455 [0,0,1,1,0,0|2,0,0]=4 3434 B10R1.176 C=Cc1ccc(c(c1)Br)O 271570a_100011290941_100012361655 [0,0,1,1,0,0|1,0,1]=4 3435 B10R1.176 C=Cc1ccc(c(c1)C)Br 271570a_100011290941_100009813585 [0,0,1,1,0,0|1,0,1]=4 3436 B10R1.176 C=Cc1ccc(c(c1)C)C 271570a_100011290941_100011215607 [0,0,1,1,0,0|1,0,1]=4 3437 B10R1.176 C=Cc1ccc(c(c1)C)Cl 271570a_100011290941_100000049509 [0,0,1,1,0,0|1,0,1]=4 3438 B10R1.176 C=Cc1ccc(c(c1)C)F 271570a_100011290941_100011218330 [0,0,1,1,0,0|1,0,1]=4 3439 B10R1.176 C=Cc1ccc(c(c1)C)N 271570a_100011290941_100000211769 [0,0,1,1,0,0|1,0,1]=4 3440 B10R1.176 C=Cc1ccc(c(c1)C)O 271570a_100011290941_100000186361 [0,0,1,1,0,0|0,0,2]=4 3441 B10R1.176 C=Cc1ccc(c(c1)Cl)Br 271570a_100011290941_100012047281 [0,0,1,1,0,0|2,0,0]=4 3442 B10R1.176 C=Cc1ccc(c(c1)Cl)C 271570a_100011290941_100011216363 [0,0,1,1,0,0|2,0,0]=4 3443 B10R1.176 C=Cc1ccc(c(c1)Cl)Cl 271570a_100011290941_100011214914 [0,0,1,1,0,0|2,0,0]=4 3444 B10R1.176 C=Cc1ccc(c(c1)Cl)F 271570a_100011290941_100011215976 [0,0,1,1,0,0|2,0,0]=4 3445 B10R1.176 C=Cc1ccc(c(c1)Cl)N 271570a_100011290941_100011218065 [0,0,1,1,0,0|2,0,0]=4 3446 B10R1.176 C=Cc1ccc(c(c1)Cl)O 271570a_100011290941_100012360047 [0,0,1,1,0,0|1,0,1]=4 3447 B10R1.176 C=Cc1ccc(c(c1)F)Br 271570a_100011290941_100000685389 [0,0,1,1,0,0|2,0,0]=4 3448 B10R1.176 C=Cc1ccc(c(c1)F)C 271570a_100011290941_100000720648 [0,0,1,1,0,0|2,0,0]=4 3449 B10R1.176 C=Cc1ccc(c(c1)F)Cl 271570a_100011290941_100011216805 [0,0,1,1,0,0|2,0,0]=4 3450 B10R1.176 C=Cc1ccc(c(c1)F)F 271570a_100011290941_100000750028 [0,0,1,1,0,0|2,0,0]=4 3451 B10R1.176 C=Cc1ccc(c(c1)F)N 271570a_100011290941_100011215594 [0,0,1,1,0,0|2,0,0]=4 3452 B10R1.176 C=Cc1ccc(c(c1)F)O 271570a_100011290941_100000185481 [0,0,1,1,0,0|1,0,1]=4 3453 B10R1.176 C=Cc1ccc(c(c1)N)Br 271570a_100011290941_100000750456 [0,0,1,1,0,0|2,0,0]=4 3454 B10R1.176 C=Cc1ccc(c(c1)N)C 271570a_100011290941_100000761890 [0,0,1,1,0,0|2,0,0]=4 3455 B10R1.176 C=Cc1ccc(c(c1)N)Cl 271570a_100011290941_200000761891 [0,0,1,1,0,0|2,0,0]=4 3456 B10R1.176 C=Cc1ccc(c(c1)N)F 271570a_100011290941_100000740924 [0,0,1,1,0,0|2,0,0]=4 3457 B10R1.176 C=Cc1ccc(c(c1)N)N 271570a_100011290941_100000741789 [0,0,1,1,0,0|2,0,0]=4 3458 B10R1.176 C=Cc1ccc(c(c1)N)O 271570a_100011290941_100000752626 [0,0,1,1,0,0|1,0,1]=4 3459 B10R1.176 C=Cc1ccc(c(c1)O)Br 271570a_100011290941_100012356990 [0,0,1,1,0,0|2,0,0]=4 3460 B10R1.176 C=Cc1ccc(c(c1)O)C 271570a_100011290941_100000766334 [0,0,1,1,0,0|2,0,0]=4 3461 B10R1.176 C=Cc1ccc(c(c1)O)Cl 271570a_100011290941_100011356854 [0,0,1,1,0,0|2,0,0]=4 3462 B10R1.176 C=Cc1ccc(c(c1)O)F 271570a_100011290941_100000686035 [0,0,1,1,0,0|2,0,0]=4 3463 B10R1.176 C=Cc1ccc(c(c1)O)N 271570a_100011290941_100000739049 [0,0,1,1,0,0|2,0,0]=4 3464 B10R1.176 C=Cc1ccc(c(c1)O)O 271570a_100011290941_100009813601 [0,0,1,1,0,0|1,0,1]=4 3465 B10R1.19 COc1cccccc1=O 34a_100000036025_200000210301 [0,0,1,1,0,0|1,0,1]=4 3466 B10R1.19 COc1cccccc1=O 7a_100000036025_200000210301 [0,0,1,1,0,0|1,0,1]=4 3467 B10R1.19 [13CH3]Oc1cccccc1=O 34a_100000036025_200025704644 [0,0,1,1,0,0|1,0,1]=4 3468 B10R1.19 [13CH3]Oc1cccccc1=O 7a_100000036025_200025704644 [0,0,1,1,0,0|1,0,1]=4 3469 B12R2.24 Oc1cc2ccccc2cn1 271570a_203496583355_100000047361 [0,1,0,1,0,0|1,0,1]=4 3470 B12R2.24 Oc1ccc2ccccc2c1 271570a_203496583355_100000233703 [0,1,0,1,0,0|0,0,1]=3 3471 B12R2.24 Oc1ccc2ccccc2n1 271570a_203496583355_100011291633 [0,1,0,1,0,0|0,0,1]=3 3472 B12R2.24 Oc1ccc2cccnc2c1 271570a_203496583355_100009816655 [0,1,0,1,0,0|1,0,0]=3 3473 B12R2.24 Oc1ccc2cccnc2n1 271570a_203496583355_100009888989 [0,1,0,1,0,0|1,0,1]=4 3474 B12R2.24 Oc1ccc2ccncc2c1 271570a_203496583355_100000686496 [0,1,0,1,0,0|1,0,1]=4 3475 B12R2.24 Oc1ccc2ccncc2n1 271570a_203496583355_100000020162 [0,1,0,1,0,0|1,0,1]=4 3476 B12R2.24 Oc1ccc2cnccc2c1 271570a_203496583355_100009816743 [0,1,0,1,0,0|1,0,1]=4 3477 B12R2.24 Oc1ccc2cncnc2c1 271570a_203496583355_100010185614 [0,1,0,1,0,0|2,0,0]=4 3478 B12R2.24 Oc1ccc2ncccc2c1 271570a_203496583355_100000754243 [0,1,0,1,0,0|1,0,0]=3 3479 B12R2.24 Oc1ccc2ncccc2n1 271570a_203496583355_100000073381 [0,1,0,1,0,0|1,0,1]=4 3480 B12R2.24 Oc1ccc2nccnc2c1 271570a_203496583355_100011219451 [0,1,0,1,0,0|2,0,0]=4 3481 B12R2.24 Oc1ccc2ncncc2c1 271570a_203496583355_100009989443 [0,1,0,1,0,0|2,0,0]=4 3482 B12R2.24 Oc1ccc2nnccc2c1 271570a_203496583355_100010209549 [0,1,0,1,0,0|2,0,0]=4 3483 B12R2.24 Oc1cnc2ccccc2c1 271570a_203496583355_100000737414 [0,1,0,1,0,0|1,0,0]=3 3484 B12R2.24 Oc1cnc2ccccc2n1 271570a_203496583355_100000756483 [0,1,0,1,0,0|1,0,1]=4 3485 B12R2.24 Oc1cnc2cccnc2c1 271570a_203496583355_100010246316 [0,1,0,1,0,0|2,0,0]=4 3486 B12R2.24 Oc1ncc2ccccc2n1 271570a_203496583355_100000097389 [0,1,0,1,0,0|1,0,1]=4 3487 B12R2.132 Cc1c[nH]c2c1cc(cc2)O 271570a_203496583355_100009816687 [0,1,0,1,0,0|2,0,0]=4 3488 B12R2.132 Cc1coc2c1cc(cc2)O 271570a_203496583355_100000728893 [0,1,0,1,0,0|2,0,0]=4 3489 B12R2.132 Cc1csc2c1cc(cc2)O 271570a_203496583355_100009814196 [0,1,0,1,0,0|2,0,0]=4 3490 B12R2.132 Cn1ccc2c1cc(cc2)O 271570a_203496583355_100011934912 [0,1,0,1,0,0|2,0,0]=4 3491 B12R2.132 Nc1ccc2scc(c2c1)O 271570a_203496583355_100011178648 [0,1,0,1,0,0|1,0,1]=4 3492 B12R2.132 O=C1CCc2c1cc(cc2)O 271570a_203496583355_100000759401 [0,1,0,1,0,0|0,0,2]=4 3493 B12R2.132 O=C1COc2c1cc(cc2)O 271570a_203496583355_100000752586 [0,1,0,1,0,0|1,0,1]=4 3494 B12R2.132 O=C1NCc2c1cc(cc2)O 271570a_203496583355_100010171230 [0,1,0,1,0,0|1,0,1]=4 3495 B12R2.132 O=C1OCc2c1cc(cc2)O 271570a_203496583355_100000693025 [0,1,0,1,0,0|1,0,1]=4 3496 B12R2.132 O=c1[nH][nH]c2c1cc(cc2)O 271570a_203496583355_100012353726 [0,1,0,1,0,0|2,0,0]=4 3497 B12R2.132 O=c1[nH]oc2c1cc(cc2)O 271570a_203496583355_100000732257 [0,1,0,1,0,0|2,0,0]=4 3498 B12R2.2 C1=C(CCC1)c2ccccc2 271570a_100000089523_100000210277 [0,1,0,1,0,0|1,0,1]=4 3499 B12R2.2 C1=C(CCO1)c2ccccc2 271570a_100000118173_100000210277 [0,1,0,1,0,0|1,0,1]=4 3500 B12R2.2 C1=C(COC1)c2ccccc2 271570a_100009872500_100000210277 [0,1,0,1,0,0|0,0,2]=4 3501 B12R2.2 c1cc(ccn1)c2c[nH]cn2 271570a_100000752145_100000756875 [0,1,0,1,0,0|2,0,0]=4 3502 B12R2.2 c1cc(ccn1)c2cc[nH]c2 271570a_100000102155_100000035832 [0,1,0,1,0,0|2,0,0]=4 3503 B12R2.2 c1cc(ccn1)c2cc[nH]n2 271570a_100000062414_100000035832 [0,1,0,1,0,0|2,0,0]=4 3504 B12R2.2 c1cc(ccn1)c2cc[nH]n2 271570a_100000752145_100000062575 [0,1,0,1,0,0|2,0,0]=4 3505 B12R2.2 c1cc(ccn1)c2ccoc2 271570a_100000752145_100011215275 [0,1,0,1,0,0|1,0,1]=4 3506 B12R2.2 c1cc(ccn1)c2ccoc2 271570a_100011218838_100000035832 [0,1,0,1,0,0|1,0,1]=4 3507 B12R2.2 c1cc(ccn1)c2ccsc2 271570a_100000752145_100000738268 [0,1,0,1,0,0|1,1,0]=4 3508 B12R2.2 c1cc(ccn1)c2ccsc2 271570a_100011934443_100000035832 [0,1,0,1,0,0|1,1,0]=4 3509 B12R2.2 c1cc(ccn1)c2ccsn2 271570a_100000752145_100009818082 [0,1,0,1,0,0|1,1,0]=4 3510 B12R2.2 c1cc(ccn1)c2cnco2 271570a_100000752145_100020591547 [0,1,0,1,0,0|1,0,1]=4 3511 B12R2.2 c1cc(ccn1)c2cncs2 271570a_100000752145_100011934649 [0,1,0,1,0,0|1,1,0]=4 3512 B12R2.2 c1cc(ccn1)c2cncs2 271570a_100010231675_100000035832 [0,1,0,1,0,0|1,1,0]=4 3513 B12R2.2 c1cc(ccn1)c2cscn2 271570a_100000752145_100000751502 [0,1,0,1,0,0|2,0,0]=4 3514 B12R2.2 c1cc(ccn1)c2ncc[nH]2 271570a_100000752145_100025796157 [0,1,0,1,0,0|2,0,0]=4 3515 B12R2.2 c1cc(ccn1)c2ncc[nH]2 271570a_100016988920_100000035832 [0,1,0,1,0,0|2,0,0]=4 3516 B12R2.2 c1cc(ccn1)c2ncco2 271570a_100000752145_100011787736 [0,1,0,1,0,0|1,0,1]=4 3517 B12R2.2 c1cc(ccn1)c2nccs2 271570a_100000752145_100000211983 [0,1,0,1,0,0|1,1,0]=4 3518 B12R2.2 c1ccc(cc1)c2c[nH]cn2 271570a_100011218836_100000756875 [0,1,0,1,0,0|1,0,0]=3 3519 B12R2.2 c1ccc(cc1)c2cc[nH]c2 271570a_100000102155_100000210277 [0,1,0,1,0,0|1,0,0]=3 3520 B12R2.2 c1ccc(cc1)c2cc[nH]n2 271570a_100000062414_100000210277 [0,1,0,1,0,0|1,0,0]=3 3521 B12R2.2 c1ccc(cc1)c2cc[nH]n2 271570a_100011218836_100000062575 [0,1,0,1,0,0|1,0,0]=3 3522 B12R2.2 c1ccc(cc1)c2ccco2 271570a_100000750936_100000210277 [0,1,0,1,0,0|0,0,1]=3 3523 B12R2.2 c1ccc(cc1)c2ccco2 271570a_100011218836_100009814098 [0,1,0,1,0,0|0,0,1]=3 3524 B12R2.2 c1ccc(cc1)c2cccs2 271570a_100000742291_100000210277 [0,1,0,1,0,0|0,1,0]=3 3525 B12R2.2 c1ccc(cc1)c2cccs2 271570a_100011218836_100011215356 [0,1,0,1,0,0|0,1,0]=3 3526 B12R2.2 c1ccc(cc1)c2ccoc2 271570a_100011218836_100011215275 [0,1,0,1,0,0|0,0,1]=3 3527 B12R2.2 c1ccc(cc1)c2ccoc2 271570a_100011218838_100000210277 [0,1,0,1,0,0|0,0,1]=3 3528 B12R2.2 c1ccc(cc1)c2ccsc2 271570a_100011218836_100000738268 [0,1,0,1,0,0|0,1,0]=3 3529 B12R2.2 c1ccc(cc1)c2ccsc2 271570a_100011934443_100000210277 [0,1,0,1,0,0|0,1,0]=3 3530 B12R2.2 c1ccc(cc1)c2ccsn2 271570a_100011218836_100009818082 [0,1,0,1,0,0|0,1,0]=3 3531 B12R2.2 c1ccc(cc1)c2cn[nH]c2 271570a_100000041997_100000210277 [0,1,0,1,0,0|2,0,0]=4 3532 B12R2.2 c1ccc(cc1)c2cn[nH]c2 271570a_100011218836_100000238712 [0,1,0,1,0,0|2,0,0]=4 3533 B12R2.2 c1ccc(cc1)c2cnco2 271570a_100011218836_100020591547 [0,1,0,1,0,0|0,0,1]=3 3534 B12R2.2 c1ccc(cc1)c2cncs2 271570a_100010231675_100000210277 [0,1,0,1,0,0|0,1,0]=3 3535 B12R2.2 c1ccc(cc1)c2cncs2 271570a_100011218836_100011934649 [0,1,0,1,0,0|0,1,0]=3 3536 B12R2.2 c1ccc(cc1)c2cnoc2 271570a_100011218836_100009815712 [0,1,0,1,0,0|1,0,1]=4 3537 B12R2.2 c1ccc(cc1)c2cnsc2 271570a_100011218836_100009815736 [0,1,0,1,0,0|1,1,0]=4 3538 B12R2.2 c1ccc(cc1)c2cscn2 271570a_100011218836_100000751502 [0,1,0,1,0,0|1,0,0]=3 3539 B12R2.2 c1ccc(cc1)c2nc[nH]n2 271570a_100011218836_100000761765 [0,1,0,1,0,0|2,0,0]=4 3540 B12R2.2 c1ccc(cc1)c2ncc[nH]2 271570a_100011218836_100025796157 [0,1,0,1,0,0|1,0,0]=3 3541 B12R2.2 c1ccc(cc1)c2ncc[nH]2 271570a_100016988920_100000210277 [0,1,0,1,0,0|1,0,0]=3 3542 B12R2.2 c1ccc(cc1)c2ncco2 271570a_100011218836_100011787736 [0,1,0,1,0,0|0,0,1]=3 3543 B12R2.2 c1ccc(cc1)c2nccs2 271570a_100011218836_100000211983 [0,1,0,1,0,0|0,1,0]=3 3544 B12R2.2 c1ccc(cc1)c2ncns2 271570a_100011218836_100000693119 [0,1,0,1,0,0|1,1,0]=4 3545 B12R2.2 c1ccc(cc1)c2nncs2 271570a_100011218836_100000739804 [0,1,0,1,0,0|1,1,0]=4 3546 B12R2.2 c1ccc(nc1)c2c[nH]cn2 271570a_100011264011_100000756875 [0,1,0,1,0,0|2,0,0]=4 3547 B12R2.2 c1ccc(nc1)c2cc[nH]c2 271570a_100000102155_100011216584 [0,1,0,1,0,0|2,0,0]=4 3548 B12R2.2 c1ccc(nc1)c2cc[nH]n2 271570a_100000062414_100011216584 [0,1,0,1,0,0|2,0,0]=4 3549 B12R2.2 c1ccc(nc1)c2cc[nH]n2 271570a_100011264011_100000062575 [0,1,0,1,0,0|2,0,0]=4 3550 B12R2.2 c1ccc(nc1)c2ccco2 271570a_100000750936_100011216584 [0,1,0,1,0,0|1,0,1]=4 3551 B12R2.2 c1ccc(nc1)c2ccco2 271570a_100011264011_100009814098 [0,1,0,1,0,0|1,0,1]=4 3552 B12R2.2 c1ccc(nc1)c2cccs2 271570a_100000742291_100011216584 [0,1,0,1,0,0|1,1,0]=4 3553 B12R2.2 c1ccc(nc1)c2cccs2 271570a_100011264011_100011215356 [0,1,0,1,0,0|1,1,0]=4 3554 B12R2.2 c1ccc(nc1)c2ccoc2 271570a_100011218838_100011216584 [0,1,0,1,0,0|1,0,1]=4 3555 B12R2.2 c1ccc(nc1)c2ccoc2 271570a_100011264011_100011215275 [0,1,0,1,0,0|1,0,1]=4 3556 B12R2.2 c1ccc(nc1)c2ccsc2 271570a_100011264011_100000738268 [0,1,0,1,0,0|1,1,0]=4 3557 B12R2.2 c1ccc(nc1)c2ccsc2 271570a_100011934443_100011216584 [0,1,0,1,0,0|1,1,0]=4 3558 B12R2.2 c1ccc(nc1)c2ccsn2 271570a_100011264011_100009818082 [0,1,0,1,0,0|1,1,0]=4 3559 B12R2.2 c1ccc(nc1)c2cnco2 271570a_100011264011_100020591547 [0,1,0,1,0,0|1,0,1]=4 3560 B12R2.2 c1ccc(nc1)c2cncs2 271570a_100010231675_100011216584 [0,1,0,1,0,0|1,1,0]=4 3561 B12R2.2 c1ccc(nc1)c2cncs2 271570a_100011264011_100011934649 [0,1,0,1,0,0|1,1,0]=4 3562 B12R2.2 c1ccc(nc1)c2cscn2 271570a_100011264011_100000751502 [0,1,0,1,0,0|2,0,0]=4 3563 B12R2.2 c1ccc(nc1)c2ncc[nH]2 271570a_100011264011_100025796157 [0,1,0,1,0,0|2,0,0]=4 3564 B12R2.2 c1ccc(nc1)c2ncc[nH]2 271570a_100016988920_100011216584 [0,1,0,1,0,0|2,0,0]=4 3565 B12R2.2 c1ccc(nc1)c2ncco2 271570a_100011264011_100011787736 [0,1,0,1,0,0|1,0,1]=4 3566 B12R2.2 c1ccc(nc1)c2nccs2 271570a_100011264011_100000211983 [0,1,0,1,0,0|1,1,0]=4 3567 B12R2.2 c1cncc(c1)c2c[nH]cn2 271570a_100000757648_100000756875 [0,1,0,1,0,0|2,0,0]=4 3568 B12R2.2 c1cncc(c1)c2cc[nH]c2 271570a_100000102155_100000752921 [0,1,0,1,0,0|2,0,0]=4 3569 B12R2.2 c1cncc(c1)c2cc[nH]n2 271570a_100000062414_100000752921 [0,1,0,1,0,0|2,0,0]=4 3570 B12R2.2 c1cncc(c1)c2cc[nH]n2 271570a_100000757648_100000062575 [0,1,0,1,0,0|2,0,0]=4 3571 B12R2.2 c1cncc(c1)c2ccco2 271570a_100000750936_100000752921 [0,1,0,1,0,0|1,0,1]=4 3572 B12R2.2 c1cncc(c1)c2ccco2 271570a_100000757648_100009814098 [0,1,0,1,0,0|1,0,1]=4 3573 B12R2.2 c1cncc(c1)c2cccs2 271570a_100000742291_100000752921 [0,1,0,1,0,0|1,1,0]=4 3574 B12R2.2 c1cncc(c1)c2cccs2 271570a_100000757648_100011215356 [0,1,0,1,0,0|1,1,0]=4 3575 B12R2.2 c1cncc(c1)c2ccoc2 271570a_100000757648_100011215275 [0,1,0,1,0,0|1,0,1]=4 3576 B12R2.2 c1cncc(c1)c2ccoc2 271570a_100011218838_100000752921 [0,1,0,1,0,0|1,0,1]=4 3577 B12R2.2 c1cncc(c1)c2ccsc2 271570a_100000757648_100000738268 [0,1,0,1,0,0|1,1,0]=4 3578 B12R2.2 c1cncc(c1)c2ccsc2 271570a_100011934443_100000752921 [0,1,0,1,0,0|1,1,0]=4 3579 B12R2.2 c1cncc(c1)c2ccsn2 271570a_100000757648_100009818082 [0,1,0,1,0,0|1,1,0]=4 3580 B12R2.2 c1cncc(c1)c2cnco2 271570a_100000757648_100020591547 [0,1,0,1,0,0|1,0,1]=4 3581 B12R2.2 c1cncc(c1)c2cncs2 271570a_100000757648_100011934649 [0,1,0,1,0,0|1,1,0]=4 3582 B12R2.2 c1cncc(c1)c2cncs2 271570a_100010231675_100000752921 [0,1,0,1,0,0|1,1,0]=4 3583 B12R2.2 c1cncc(c1)c2cscn2 271570a_100000757648_100000751502 [0,1,0,1,0,0|2,0,0]=4 3584 B12R2.2 c1cncc(c1)c2ncc[nH]2 271570a_100000757648_100025796157 [0,1,0,1,0,0|2,0,0]=4 3585 B12R2.2 c1cncc(c1)c2ncc[nH]2 271570a_100016988920_100000752921 [0,1,0,1,0,0|2,0,0]=4 3586 B12R2.2 c1cncc(c1)c2ncco2 271570a_100000757648_100011787736 [0,1,0,1,0,0|1,0,1]=4 3587 B12R2.2 c1cncc(c1)c2nccs2 271570a_100000757648_100000211983 [0,1,0,1,0,0|1,1,0]=4 3588 B12R2.2 c1coc(c1)c2ccncc2 271570a_100000750936_100000035832 [0,1,0,1,0,0|1,0,1]=4 3589 B12R2.2 c1coc(c1)c2ccncc2 271570a_100000752145_100009814098 [0,1,0,1,0,0|1,0,1]=4 3590 B12R2.2 c1csc(c1)c2ccncc2 271570a_100000742291_100000035832 [0,1,0,1,0,0|1,1,0]=4 3591 B12R2.2 c1csc(c1)c2ccncc2 271570a_100000752145_100011215356 [0,1,0,1,0,0|1,1,0]=4 3592 B12R2.1081 Oc1cccc2c1cccc2 271570a_203496583355_100000210605 [0,1,0,1,0,0|0,0,1]=3 3593 B12R2.1081 Oc1cccc2c1cccn2 271570a_203496583355_100011290932 [0,1,0,1,0,0|1,0,0]=3 3594 B12R2.1081 Oc1cccc2c1ccnc2 271570a_203496583355_100000186358 [0,1,0,1,0,0|1,0,1]=4 3595 B12R2.1081 Oc1cccc2c1cncc2 271570a_203496583355_100000685578 [0,1,0,1,0,0|1,0,1]=4 3596 B12R2.1081 Oc1cccc2c1cncn2 271570a_203496583355_100009814520 [0,1,0,1,0,0|2,0,0]=4 3597 B12R2.1081 Oc1cccc2c1nccc2 271570a_203496583355_100011215545 [0,1,0,1,0,0|1,0,0]=3 3598 B12R2.1081 Oc1cccc2c1nccn2 271570a_203496583355_100010003881 [0,1,0,1,0,0|2,0,0]=4 3599 B12R2.1081 Oc1cccc2c1ncnc2 271570a_203496583355_100010246313 [0,1,0,1,0,0|2,0,0]=4 3600 B12R2.1081 Oc1ccnc2c1cccc2 271570a_203496583355_100011215880 [0,1,0,1,0,0|0,0,1]=3 3601 B12R2.1081 Oc1ccnc2c1cccn2 271570a_203496583355_100000087570 [0,1,0,1,0,0|1,0,1]=4 3602 B12R2.1081 Oc1ccnc2c1cncc2 271570a_203496583355_100000095135 [0,1,0,1,0,0|1,0,1]=4 3603 B12R2.1081 Oc1cncc2c1cccc2 271570a_203496583355_100000187577 [0,1,0,1,0,0|0,0,1]=3 3604 B12R2.1081 Oc1cncc2c1cccn2 271570a_203496583355_100010211308 [0,1,0,1,0,0|1,0,1]=4 3605 B12R2.1081 Oc1cncc2c1ccnc2 271570a_203496583355_100010134378 [0,1,0,1,0,0|1,0,1]=4 3606 B12R2.1081 Oc1cnnc2c1cccc2 271570a_203496583355_100000063506 [0,1,0,1,0,0|1,0,1]=4 3607 B12R2.1081 Oc1nccc2c1cccc2 271570a_203496583355_100011934041 [0,1,0,1,0,0|0,0,1]=3 3608 B12R2.1081 Oc1nccc2c1cccn2 271570a_203496583355_100000077681 [0,1,0,1,0,0|1,0,1]=4 3609 B12R2.1081 Oc1nccc2c1cncc2 271570a_203496583355_100000116921 [0,1,0,1,0,0|1,0,1]=4 3610 B12R2.1081 Oc1nccc2c1nccc2 271570a_203496583355_100010063729 [0,1,0,1,0,0|1,0,1]=4 3611 B12R2.1081 Oc1ncnc2c1cccc2 271570a_203496583355_100000217608 [0,1,0,1,0,0|1,0,1]=4 3612 B12R2.32 C=Cc1cc2ccccc2[nH]1 271570a_100011290941_100010232065 [0,1,0,1,0,0|1,0,0]=3 3613 B12R2.32 C=Cc1cc2ccccc2o1 271570a_100011290941_100010159458 [0,1,0,1,0,0|1,0,0]=3 3614 B12R2.32 C=Cc1cc2ccccc2s1 271570a_100011290941_100009816949 [0,1,0,1,0,0|1,0,0]=3 3615 B12R2.32 C=Cc1cc2cccnc2[nH]1 271570a_100011290941_100010079843 [0,1,0,1,0,0|2,0,0]=4 3616 B12R2.32 C=Cc1cn2ccccc2n1 271570a_100011290941_100009819586 [0,1,0,1,0,0|2,0,0]=4 3617 B12R2.32 C=Cc1nc2ccccc2[nH]1 271570a_100011290941_100009814255 [0,1,0,1,0,0|2,0,0]=4 3618 B12R2.32 C=Cc1nc2ccccc2s1 271570a_100011290941_100000751744 [0,1,0,1,0,0|2,0,0]=4 3619 B12R2.32 CSc1cc2ccccc2[nH]1 62a_200000210301_100010232065 [0,1,0,1,0,0|2,0,0]=4 3620 B12R2.32 CSc1cc2ccccc2o1 62a_200000210301_100010159458 [0,1,0,1,0,0|2,0,0]=4 3621 B12R2.32 CSc1cc2ccccc2s1 62a_200000210301_100009816949 [0,1,0,1,0,0|2,0,0]=4 3622 B12R2.32 [13CH3]Sc1cc2ccccc2[nH]1 62a_200025704644_100010232065 [0,1,0,1,0,0|2,0,0]=4 3623 B12R2.32 [13CH3]Sc1cc2ccccc2o1 62a_200025704644_100010159458 [0,1,0,1,0,0|2,0,0]=4 3624 B12R2.32 [13CH3]Sc1cc2ccccc2s1 62a_200025704644_100009816949 [0,1,0,1,0,0|2,0,0]=4 3625 B12R2.196 Cc1c[nH]c2c1cccc2O 271570a_203496583355_100010186758 [0,1,0,1,0,0|2,0,0]=4 3626 B12R2.196 Cn1ccc2c1cccc2O 271570a_203496583355_200011934935 [0,1,0,1,0,0|2,0,0]=4 3627 B12R2.196 O=C1CCc2c1cccc2O 271570a_203496583355_100000744605 [0,1,0,1,0,0|0,0,2]=4 3628 B12R2.196 O=C1COc2c1cccc2O 271570a_203496583355_100011230590 [0,1,0,1,0,0|1,0,1]=4 3629 B12R2.196 O=C1NCc2c1cccc2O 271570a_203496583355_100000688282 [0,1,0,1,0,0|1,0,1]=4 3630 B12R2.196 O=C1OCc2c1cccc2O 271570a_203496583355_100010167076 [0,1,0,1,0,0|1,0,1]=4 3631 B12R2.196 O=c1[nH][nH]c2c1cccc2O 271570a_203496583355_100012199144 [0,1,0,1,0,0|2,0,0]=4 3632 B12R2.203 Cc1c[nH]c2c1c(ccc2)O 271570a_203496583355_100010194227 [0,1,0,1,0,0|2,0,0]=4 3633 B12R2.203 Cn1ccc2c1c(ccc2)O 271570a_203496583355_100009817156 [0,1,0,1,0,0|2,0,0]=4 3634 B12R2.203 O=C1CCc2c1c(ccc2)O 271570a_203496583355_100009816781 [0,1,0,1,0,0|0,0,2]=4 3635 B12R2.203 O=C1COc2c1c(ccc2)O 271570a_203496583355_100010205902 [0,1,0,1,0,0|1,0,1]=4 3636 B12R2.203 O=C1NCc2c1c(ccc2)O 271570a_203496583355_100000724024 [0,1,0,1,0,0|1,0,1]=4 3637 B12R2.203 O=C1OCc2c1c(ccc2)O 271570a_203496583355_100010132333 [0,1,0,1,0,0|1,0,1]=4 3638 B12R2.203 O=c1[nH][nH]c2c1c(ccc2)O 271570a_203496583355_100010170957 [0,1,0,1,0,0|2,0,0]=4 3639 B12R2.612 Cc1c[nH]c2c1ccc(c2)O 271570a_203496583355_100010209589 [0,1,0,1,0,0|2,0,0]=4 3640 B12R2.612 Cc1coc2c1ccc(c2)O 271570a_203496583355_100010775837 [0,1,0,1,0,0|2,0,0]=4 3641 B12R2.612 Cn1ccc2c1ccc(c2)O 271570a_203496583355_100011202928 [0,1,0,1,0,0|2,0,0]=4 3642 B12R2.612 O=C1C=Cc2c1ccc(c2)O 271570a_203496583355_100010210589 [0,1,0,1,0,0|0,0,0]=2 3643 B12R2.612 O=C1CCc2c1ccc(c2)O 271570a_203496583355_100000737041 [0,1,0,1,0,0|0,0,2]=4 3644 B12R2.612 O=C1COc2c1ccc(c2)O 271570a_203496583355_100000686717 [0,1,0,1,0,0|1,0,1]=4 3645 B12R2.612 O=C1NCc2c1ccc(c2)O 271570a_203496583355_100000692135 [0,1,0,1,0,0|1,0,1]=4 3646 B12R2.612 O=C1OCc2c1ccc(c2)O 271570a_203496583355_100009816608 [0,1,0,1,0,0|1,0,1]=4 3647 B12R2.612 O=c1[nH][nH]c2c1ccc(c2)O 271570a_203496583355_100012353722 [0,1,0,1,0,0|2,0,0]=4 3648 B12R2.1 C=Cc1c[nH]c2c1cccn2 271570a_100011290941_100011934613 [0,1,0,1,0,0|2,0,0]=4 3649 B12R2.1 C=Cc1c[nH]c2c1ccnc2 271570a_100011290941_100010232032 [0,1,0,1,0,0|2,0,0]=4 3650 B12R2.1 C=Cc1c[nH]c2c1cncc2 271570a_100011290941_100011934843 [0,1,0,1,0,0|2,0,0]=4 3651 B12R2.1 C=Cc1c[nH]c2c1nccc2 271570a_100011290941_100009817151 [0,1,0,1,0,0|2,0,0]=4 3652 B12R2.1 C=Cc1cnc2n1cccc2 271570a_100011290941_100011219245 [0,1,0,1,0,0|2,0,0]=4 3653 B12R2.1 C=Cc1cnn2c1cccc2 271570a_100011290941_100009817726 [0,1,0,1,0,0|2,0,0]=4 3654 B12R2.1 C=Cc1coc2c1cccc2 271570a_100011290941_100009812202 [0,1,0,1,0,0|1,0,0]=3 3655 B12R2.1 C=Cc1coc2c1nccc2 271570a_100011290941_100009889148 [0,1,0,1,0,0|2,0,0]=4 3656 B12R2.1 C=Cc1csc2c1cccc2 271570a_100011290941_100009813928 [0,1,0,1,0,0|1,0,0]=3 3657 B12R2.1 C=Cc1csc2c1cccn2 271570a_100011290941_100009830249 [0,1,0,1,0,0|2,0,0]=4 3658 B12R2.1 C=Cc1csc2c1ccnc2 271570a_100011290941_100009817111 [0,1,0,1,0,0|2,0,0]=4 3659 B12R2.1 C=Cc1csc2c1cncc2 271570a_100011290941_100010247091 [0,1,0,1,0,0|2,0,0]=4 3660 B12R2.1 C=Cc1csc2c1nccc2 271570a_100011290941_100010247092 [0,1,0,1,0,0|2,0,0]=4 3661 B12R2.1 C=Cc1n[nH]c2c1cccc2 271570a_100011290941_100000050141 [0,1,0,1,0,0|2,0,0]=4 3662 B12R2.1 C=Cc1ncn2c1cccc2 271570a_100011290941_100000688344 [0,1,0,1,0,0|2,0,0]=4 3663 B12R2.1 COc1csc2c1cccc2 34a_100000077758_200000210301 [0,1,0,1,0,0|1,0,1]=4 3664 B12R2.1 COc1csc2c1cccc2 7a_100000077758_200000210301 [0,1,0,1,0,0|1,0,1]=4 3665 B12R2.1 CSc1coc2c1cccc2 62a_200000210301_100009812202 [0,1,0,1,0,0|1,1,0]=4 3666 B12R2.1 CSc1csc2c1cccc2 62a_200000210301_100009813928 [0,1,0,1,0,0|1,1,0]=4 3667 B12R2.1 [13CH3]Oc1csc2c1cccc2 34a_100000077758_200025704644 [0,1,0,1,0,0|1,0,1]=4 3668 B12R2.1 [13CH3]Oc1csc2c1cccc2 7a_100000077758_200025704644 [0,1,0,1,0,0|1,0,1]=4 3669 B12R2.1 [13CH3]Sc1coc2c1cccc2 62a_200025704644_100009812202 [0,1,0,1,0,0|1,1,0]=4 3670 B12R2.1 [13CH3]Sc1csc2c1cccc2 62a_200025704644_100009813928 [0,1,0,1,0,0|1,1,0]=4 3671 B12R2.2057 C(=CC1CC1)c2ccccc2 271570a_100102526188_100000210277 [0,1,0,1,0,0|1,0,1]=4 3672 B12R2.18 Cc1c(sc2c1cccc2)O 271570a_203496583355_200010198769 [0,1,0,1,0,0|2,0,0]=4 3673 B12R2.18 Cc1oc2ccccc2c1O 271570a_203496583355_200010236113 [0,1,0,1,0,0|1,0,1]=4 3674 B12R2.18 Cc1sc2ccccc2c1O 271570a_203496583355_100010002616 [0,1,0,1,0,0|1,0,1]=4 3675 B12R2.3190 CC(=O)C1Cc2c1cccc2 1458a_200000238571_200000210301 [0,1,0,1,0,0|0,0,2]=4 3676 B12R2.3190 [13CH3]C(=O)C1Cc2c1cccc2 1458a_200000238571_200025704644 [0,1,0,1,0,0|0,0,2]=4 3677 B8R1.8 C=C=Cc1ccco1 271570a_100015277604_100009814098 [1,0,0,0,1,0|1,0,1]=4 3678 B8R1.8 C=C=Cc1cccs1 271570a_100015277604_100011215356 [1,0,0,0,1,0|1,0,1]=4 3679 B8R1.8 C=C=Cc1ccoc1 271570a_100015277604_100011215275 [1,0,0,0,1,0|1,0,1]=4 3680 B8R1.8 C=C=Cc1ccsc1 271570a_100015277604_100000738268 [1,0,0,0,1,0|1,0,1]=4 3681 B8R1.8 CC=Cc1ccco1 271570a_100016259895_100009814098 [1,0,0,0,1,0|1,0,1]=4 3682 B8R1.8 CC=Cc1cccs1 271570a_100016259895_100011215356 [1,0,0,0,1,0|1,0,1]=4 3683 B8R1.8 CC=Cc1ccoc1 271570a_100016259895_100011215275 [1,0,0,0,1,0|1,0,1]=4 3684 B8R1.8 CC=Cc1ccsc1 271570a_100016259895_100000738268 [1,0,0,0,1,0|1,0,1]=4