0 B10R1.17 C#CCNc1ccccc1 34a_100000106764_100000184674 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.17 C#CCOc1ccccc1 34a_100000210340_100000184674 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.17 C#CCOc1ccccc1 7a_100000210340_100000038162 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.17 C#CCSc1ccccc1 62a_100000038162_100000041952 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.17 C=CCNc1ccccc1 34a_100000106764_100015514636 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.17 C=CCOc1ccccc1 34a_100000210340_100015514636 [0,0,0,0,0,0|3,0,1]=4 6 B10R1.17 C=CCOc1ccccc1 7a_100000210340_100015514636 [0,0,0,0,0,0|3,0,1]=4 7 B10R1.17 C=CCSc1ccccc1 62a_100000210623_100000041952 [0,0,0,0,0,0|3,0,1]=4 8 B10R1.17 C=CCSc1ccccc1 62a_100000719477_100000210623 [0,0,0,0,0,0|3,0,1]=4 9 B10R1.17 CC=NNc1ccccc1 4a_100015195140_200000210099 [0,0,0,0,0,0|4,0,0]=4 10 B10R1.17 CCCCc1ccccc1 271570a_100020621405_100000210277 [0,0,0,0,0,0|2,0,1]=3 11 B10R1.17 CCCCc1ccccn1 271570a_100020621405_100011216584 [0,0,0,0,0,0|3,0,1]=4 12 B10R1.17 CCCCc1cccnc1 271570a_100020621405_100000752921 [0,0,0,0,0,0|3,0,1]=4 13 B10R1.17 CCCCc1ccncc1 271570a_100020621405_100000035832 [0,0,0,0,0,0|3,0,1]=4 14 B10R1.17 CCCNc1ccccc1 34a_100000106764_100000210303 [0,0,0,0,0,0|3,0,1]=4 15 B10R1.17 CCCOc1ccccc1 34a_100000210340_100000210303 [0,0,0,0,0,0|3,0,1]=4 16 B10R1.17 CCCOc1ccccc1 7a_100000210340_100000210303 [0,0,0,0,0,0|3,0,1]=4 17 B10R1.17 CCCSc1ccccc1 62a_100000210303_100000041952 [0,0,0,0,0,0|3,0,1]=4 18 B10R1.17 CCCSc1ccccc1 62a_100000719477_100000210303 [0,0,0,0,0,0|3,0,1]=4 19 B10R1.17 CCNCc1ccccc1 207a_100015525214_100015611070 [0,0,0,0,0,0|3,0,0]=3 20 B10R1.17 CCNCc1ccccc1 2230a_100015324214_100000210202 [0,0,0,0,0,0|3,0,0]=3 21 B10R1.17 CCNCc1ccccc1 2230a_100015525214_100015291786 [0,0,0,0,0,0|3,0,0]=3 22 B10R1.17 CCNCc1ccccc1 270004a_100015525214_100015611070 [0,0,0,0,0,0|3,0,0]=3 23 B10R1.17 CCNCc1ccccc1 34a_100015324214_100000210202 [0,0,0,0,0,0|3,0,0]=3 24 B10R1.17 CCNCc1ccccn1 207a_100015525214_100000209966 [0,0,0,0,0,0|4,0,0]=4 25 B10R1.17 CCNCc1ccccn1 2230a_100015525214_100000721315 [0,0,0,0,0,0|4,0,0]=4 26 B10R1.17 CCNCc1ccccn1 270004a_100015525214_100000209966 [0,0,0,0,0,0|4,0,0]=4 27 B10R1.17 CCNCc1cccnc1 207a_100015525214_100000209961 [0,0,0,0,0,0|4,0,0]=4 28 B10R1.17 CCNCc1cccnc1 2230a_100015525214_100000741622 [0,0,0,0,0,0|4,0,0]=4 29 B10R1.17 CCNCc1cccnc1 270004a_100015525214_100000209961 [0,0,0,0,0,0|4,0,0]=4 30 B10R1.17 CCNCc1ccncc1 207a_100015525214_100000186114 [0,0,0,0,0,0|4,0,0]=4 31 B10R1.17 CCNCc1ccncc1 2230a_100015525214_100015193705 [0,0,0,0,0,0|4,0,0]=4 32 B10R1.17 CCOCc1ccccc1 34a_100000210790_100000210202 [0,0,0,0,0,0|3,0,0]=3 33 B10R1.17 CCOCc1ccccc1 34a_100121572206_100015291786 [0,0,0,0,0,0|3,0,0]=3 34 B10R1.17 CCOCc1ccccc1 7a_100000210790_100000210202 [0,0,0,0,0,0|3,0,0]=3 35 B10R1.17 CCOCc1ccccn1 34a_100121572206_100000721315 [0,0,0,0,0,0|4,0,0]=4 36 B10R1.17 CCOCc1cccnc1 34a_100121572206_100000733263 [0,0,0,0,0,0|4,0,0]=4 37 B10R1.17 CCSCc1ccccc1 62a_100000210202_100015291786 [0,0,0,0,0,0|3,0,0]=3 38 B10R1.17 CCSCc1ccccc1 62a_100000211182_100000210202 [0,0,0,0,0,0|3,0,0]=3 39 B10R1.17 CCSCc1ccccn1 62a_100000210202_100000721315 [0,0,0,0,0,0|4,0,0]=4 40 B10R1.17 CCSCc1ccccn1 62a_100000721315_100000210202 [0,0,0,0,0,0|4,0,0]=4 41 B10R1.17 CCSCc1cccnc1 62a_100000210202_100000741622 [0,0,0,0,0,0|4,0,0]=4 42 B10R1.17 CCSCc1cccnc1 62a_100000741622_100000210202 [0,0,0,0,0,0|4,0,0]=4 43 B10R1.17 CCSCc1ccncc1 62a_100000210202_100015193705 [0,0,0,0,0,0|4,0,0]=4 44 B10R1.17 CCSCc1ccncc1 62a_100015193705_100000210202 [0,0,0,0,0,0|4,0,0]=4 45 B10R1.17 CNCCc1ccccc1 2230a_100000106460_200000210301 [0,0,0,0,0,0|1,0,2]=3 46 B10R1.17 CNCCc1ccccc1 2230a_106832991635_100000765856 [0,0,0,0,0,0|1,0,2]=3 47 B10R1.17 CNCCc1ccccc1 34a_100000106460_200000210301 [0,0,0,0,0,0|1,0,2]=3 48 B10R1.17 CNCCc1ccccc1 34a_100102657272_100000765856 [0,0,0,0,0,0|1,0,2]=3 49 B10R1.17 CNCCc1ccccc1 7a_106832991635_100000765856 [0,0,0,0,0,0|1,0,2]=3 50 B10R1.17 CNCCc1ccccn1 2230a_106832991635_100015183660 [0,0,0,0,0,0|2,0,2]=4 51 B10R1.17 CNCCc1ccccn1 7a_106832991635_100015183660 [0,0,0,0,0,0|2,0,2]=4 52 B10R1.17 CNCCc1cccnc1 2230a_100000736294_200000210301 [0,0,0,0,0,0|2,0,2]=4 53 B10R1.17 CNCCc1cccnc1 2230a_106832991635_200011713674 [0,0,0,0,0,0|2,0,2]=4 54 B10R1.17 CNCCc1cccnc1 7a_106832991635_200011713674 [0,0,0,0,0,0|2,0,2]=4 55 B10R1.17 CNCCc1ccncc1 2230a_106832991635_100000723409 [0,0,0,0,0,0|2,0,2]=4 56 B10R1.17 CNCCc1ccncc1 7a_106832991635_100000723409 [0,0,0,0,0,0|2,0,2]=4 57 B10R1.17 CNCSc1ccccc1 2230a_106832991635_100011218342 [0,0,0,0,0,0|2,0,2]=4 58 B10R1.17 COCCc1ccccc1 34a_100000210268_200000210301 [0,0,0,0,0,0|2,0,1]=3 59 B10R1.17 COCCc1ccccc1 34a_100138415774_100000765856 [0,0,0,0,0,0|2,0,1]=3 60 B10R1.17 COCCc1ccccc1 7a_100000210268_200000210301 [0,0,0,0,0,0|2,0,1]=3 61 B10R1.17 COCCc1ccccn1 34a_100000210271_200000210301 [0,0,0,0,0,0|3,0,1]=4 62 B10R1.17 COCCc1cccnc1 34a_100011217484_200000210301 [0,0,0,0,0,0|3,0,1]=4 63 B10R1.17 COCCc1ccncc1 34a_100011216225_200000210301 [0,0,0,0,0,0|3,0,1]=4 64 B10R1.17 COCSc1ccccc1 62a_100000719477_100000766300 [0,0,0,0,0,0|3,0,1]=4 65 B10R1.17 COCSc1ccccc1 62a_100000766300_100000041952 [0,0,0,0,0,0|3,0,1]=4 66 B10R1.17 CSCCc1ccccc1 62a_100000765856_200000210301 [0,0,0,0,0,0|2,0,1]=3 67 B10R1.17 CSCCc1ccccc1 62a_200000210301_100011218657 [0,0,0,0,0,0|2,0,1]=3 68 B10R1.17 CSCCc1ccccn1 62a_100015183660_200000210301 [0,0,0,0,0,0|3,0,1]=4 69 B10R1.17 CSCCc1ccccn1 62a_200000210301_100015183660 [0,0,0,0,0,0|3,0,1]=4 70 B10R1.17 CSCCc1cccnc1 62a_200000210301_200011713674 [0,0,0,0,0,0|3,0,1]=4 71 B10R1.17 CSCCc1cccnc1 62a_200011713674_200000210301 [0,0,0,0,0,0|3,0,1]=4 72 B10R1.17 CSCCc1ccncc1 62a_100000723409_200000210301 [0,0,0,0,0,0|3,0,1]=4 73 B10R1.17 CSCCc1ccncc1 62a_200000210301_100000723409 [0,0,0,0,0,0|3,0,1]=4 74 B10R1.17 CSCNc1ccccc1 34a_100000106764_100011218213 [0,0,0,0,0,0|3,0,1]=4 75 B10R1.17 CSCOc1ccccc1 34a_100000210340_100011218213 [0,0,0,0,0,0|3,0,1]=4 76 B10R1.17 CSCSc1ccccc1 62a_100000719477_100011218213 [0,0,0,0,0,0|3,0,1]=4 77 B10R1.17 CSCSc1ccccc1 62a_100011218213_100000041952 [0,0,0,0,0,0|3,0,1]=4 78 B10R1.17 CSCSc1ccccc1 62a_100011218342_200000210301 [0,0,0,0,0,0|3,0,1]=4 79 B10R1.17 CSCSc1ccccc1 62a_200000210301_100011218342 [0,0,0,0,0,0|3,0,1]=4 80 B10R1.17 FCCNc1ccccc1 34a_100000106764_100011217306 [0,0,0,0,0,0|3,0,1]=4 81 B10R1.17 FCCOc1ccccc1 34a_100000210340_100011217306 [0,0,0,0,0,0|3,0,1]=4 82 B10R1.17 FCCOc1ccccc1 7a_100000210340_100011217306 [0,0,0,0,0,0|3,0,1]=4 83 B10R1.17 FCCSc1ccccc1 62a_100000719477_100011217306 [0,0,0,0,0,0|3,0,1]=4 84 B10R1.17 FCCSc1ccccc1 62a_100011217306_100000041952 [0,0,0,0,0,0|3,0,1]=4 85 B10R1.17 FCNCc1ccccc1 34a_100015324214_100015361967 [0,0,0,0,0,0|3,0,0]=3 86 B10R1.17 FCOCc1ccccc1 34a_100000210790_100015361967 [0,0,0,0,0,0|3,0,0]=3 87 B10R1.17 FCOCc1ccccc1 7a_100000210790_100015361967 [0,0,0,0,0,0|3,0,0]=3 88 B10R1.17 FCSCc1ccccc1 62a_100000211182_100015361967 [0,0,0,0,0,0|3,0,0]=3 89 B10R1.17 FCSCc1ccccc1 62a_100015361967_100015291786 [0,0,0,0,0,0|3,0,0]=3 90 B10R1.17 FCSCc1ccccn1 62a_100000721315_100015361967 [0,0,0,0,0,0|4,0,0]=4 91 B10R1.17 FCSCc1ccccn1 62a_100015361967_100000721315 [0,0,0,0,0,0|4,0,0]=4 92 B10R1.17 FCSCc1cccnc1 62a_100000741622_100015361967 [0,0,0,0,0,0|4,0,0]=4 93 B10R1.17 FCSCc1cccnc1 62a_100015361967_100000741622 [0,0,0,0,0,0|4,0,0]=4 94 B10R1.17 FCSCc1ccncc1 62a_100015193705_100015361967 [0,0,0,0,0,0|4,0,0]=4 95 B10R1.17 FCSCc1ccncc1 62a_100015361967_100015193705 [0,0,0,0,0,0|4,0,0]=4 96 B10R1.17 N#CCOc1ccccc1 7a_100000210340_100011215382 [0,0,0,0,0,0|3,0,1]=4 97 B10R1.17 N#CCSc1ccccc1 62a_100000719477_100011215382 [0,0,0,0,0,0|3,0,1]=4 98 B10R1.17 N#CCSc1ccccc1 62a_100011215382_100000041952 [0,0,0,0,0,0|3,0,1]=4 99 B10R1.17 O=CCNc1ccccc1 34a_100000106764_200009817547 [0,0,0,0,0,0|2,0,2]=4 100 B10R1.17 O=CCOc1ccccc1 34a_100000210340_200009817547 [0,0,0,0,0,0|2,0,2]=4 101 B10R1.17 O=CCOc1ccccc1 7a_100000210340_200015260668 [0,0,0,0,0,0|2,0,2]=4 102 B10R1.17 O=CCSc1ccccc1 62a_100000719477_200015260668 [0,0,0,0,0,0|2,0,2]=4 103 B10R1.17 O=CCSc1ccccc1 62a_200015260668_100000041952 [0,0,0,0,0,0|2,0,2]=4 104 B10R1.17 OCCNc1ccccc1 34a_100000106764_100000211926 [0,0,0,0,0,0|2,0,1]=3 105 B10R1.17 OCCOc1ccccc1 34a_100000210340_100000211926 [0,0,0,0,0,0|2,0,1]=3 106 B10R1.17 OCCOc1ccccc1 7a_100000210340_100000211926 [0,0,0,0,0,0|2,0,1]=3 107 B10R1.17 OCCOc1cccnc1 34a_100000210849_100000211926 [0,0,0,0,0,0|3,0,1]=4 108 B10R1.17 OCCOc1cccnc1 7a_100000210849_100000211926 [0,0,0,0,0,0|3,0,1]=4 109 B10R1.17 OCCOc1ccncc1 34a_100000212176_100000211926 [0,0,0,0,0,0|3,0,1]=4 110 B10R1.17 OCCSc1ccccc1 62a_100000211926_100000041952 [0,0,0,0,0,0|2,0,1]=3 111 B10R1.17 OCCSc1ccccc1 62a_100000719477_100000211926 [0,0,0,0,0,0|2,0,1]=3 112 B10R1.17 OCCSc1ccccn1 62a_100000211926_100011216584 [0,0,0,0,0,0|3,0,1]=4 113 B10R1.17 OCCSc1ccccn1 62a_100011216584_100000211926 [0,0,0,0,0,0|3,0,1]=4 114 B10R1.17 OCCSc1cccnc1 62a_100000210063_100000211926 [0,0,0,0,0,0|3,0,1]=4 115 B10R1.17 OCCSc1cccnc1 62a_100000211926_100000210063 [0,0,0,0,0,0|3,0,1]=4 116 B10R1.17 OCCSc1ccncc1 62a_100000211926_100000728582 [0,0,0,0,0,0|3,0,1]=4 117 B10R1.17 OCCSc1ccncc1 62a_100000728582_100000211926 [0,0,0,0,0,0|3,0,1]=4 118 B10R1.17 [13CH3]NCCc1ccccc1 2230a_100000106460_200025704644 [0,0,0,0,0,0|1,0,2]=3 119 B10R1.17 [13CH3]NCCc1ccccc1 34a_100000106460_200025704644 [0,0,0,0,0,0|1,0,2]=3 120 B10R1.17 [13CH3]NCCc1cccnc1 2230a_100000736294_200025704644 [0,0,0,0,0,0|2,0,2]=4 121 B10R1.17 [13CH3]OCCc1ccccc1 34a_100000210268_200025704644 [0,0,0,0,0,0|2,0,1]=3 122 B10R1.17 [13CH3]OCCc1ccccc1 7a_100000210268_200025704644 [0,0,0,0,0,0|2,0,1]=3 123 B10R1.17 [13CH3]OCCc1ccccn1 34a_100000210271_200025704644 [0,0,0,0,0,0|3,0,1]=4 124 B10R1.17 [13CH3]OCCc1cccnc1 34a_100011217484_200025704644 [0,0,0,0,0,0|3,0,1]=4 125 B10R1.17 [13CH3]OCCc1ccncc1 34a_100011216225_200025704644 [0,0,0,0,0,0|3,0,1]=4 126 B10R1.17 [13CH3]SCCc1ccccc1 62a_100000765856_200025704644 [0,0,0,0,0,0|2,0,1]=3 127 B10R1.17 [13CH3]SCCc1ccccc1 62a_200025704644_100011218657 [0,0,0,0,0,0|2,0,1]=3 128 B10R1.17 [13CH3]SCCc1ccccn1 62a_100015183660_200025704644 [0,0,0,0,0,0|3,0,1]=4 129 B10R1.17 [13CH3]SCCc1ccccn1 62a_200025704644_100015183660 [0,0,0,0,0,0|3,0,1]=4 130 B10R1.17 [13CH3]SCCc1cccnc1 62a_200011713674_200025704644 [0,0,0,0,0,0|3,0,1]=4 131 B10R1.17 [13CH3]SCCc1cccnc1 62a_200025704644_200011713674 [0,0,0,0,0,0|3,0,1]=4 132 B10R1.17 [13CH3]SCCc1ccncc1 62a_100000723409_200025704644 [0,0,0,0,0,0|3,0,1]=4 133 B10R1.17 [13CH3]SCCc1ccncc1 62a_200025704644_100000723409 [0,0,0,0,0,0|3,0,1]=4 134 B10R1.17 [13CH3]SCSc1ccccc1 62a_100011218342_200025704644 [0,0,0,0,0,0|3,0,1]=4 135 B10R1.17 [13CH3]SCSc1ccccc1 62a_200025704644_100011218342 [0,0,0,0,0,0|3,0,1]=4 136 B9R1.8 C=C=Cc1ccccc1 271570a_100015277604_100000210277 [1,0,0,0,0,0|2,0,0]=3 137 B9R1.8 C=C=Cc1ccccn1 271570a_100015277604_100011216584 [1,0,0,0,0,0|3,0,0]=4 138 B9R1.8 C=C=Cc1cccnc1 271570a_100015277604_100000752921 [1,0,0,0,0,0|3,0,0]=4 139 B9R1.8 C=C=Cc1ccncc1 271570a_100015277604_100000035832 [1,0,0,0,0,0|3,0,0]=4 140 B9R1.8 CC=Cc1ccccc1 271570a_100016259895_100000210277 [1,0,0,0,0,0|1,0,1]=3 141 B9R1.8 CC=Cc1ccccn1 271570a_100016259895_100011216584 [1,0,0,0,0,0|2,0,1]=4 142 B9R1.8 CC=Cc1cccnc1 271570a_100016259895_100000752921 [1,0,0,0,0,0|2,0,1]=4 143 B9R1.8 CC=Cc1ccncc1 271570a_100016259895_100000035832 [1,0,0,0,0,0|2,0,1]=4 144 B9R1.8 CCNc1ccccc1 34a_100000106764_100000210202 [1,0,0,0,0,0|2,0,1]=4 145 B9R1.8 CCOc1ccccc1 34a_100000210340_100000210202 [1,0,0,0,0,0|2,0,1]=4 146 B9R1.8 CCOc1ccccc1 7a_100000210340_100000210202 [1,0,0,0,0,0|2,0,1]=4 147 B9R1.8 CCSc1ccccc1 62a_100000210202_100000041952 [1,0,0,0,0,0|2,0,1]=4 148 B9R1.8 CCSc1ccccc1 62a_100000719477_100000210202 [1,0,0,0,0,0|2,0,1]=4 149 B9R1.8 CNCc1ccccc1 207a_100102657272_100015611070 [1,0,0,0,0,0|1,0,1]=3 150 B9R1.8 CNCc1ccccc1 2230a_100015324214_200000210301 [1,0,0,0,0,0|1,0,1]=3 151 B9R1.8 CNCc1ccccc1 2230a_106832991635_100015291786 [1,0,0,0,0,0|1,0,1]=3 152 B9R1.8 CNCc1ccccc1 270004a_106832991635_100015611070 [1,0,0,0,0,0|1,0,1]=3 153 B9R1.8 CNCc1ccccc1 34a_100015324214_200000210301 [1,0,0,0,0,0|1,0,1]=3 154 B9R1.8 CNCc1ccccc1 34a_100102657272_100015291786 [1,0,0,0,0,0|1,0,1]=3 155 B9R1.8 CNCc1ccccc1 7a_106832991635_100000211182 [1,0,0,0,0,0|1,0,1]=3 156 B9R1.8 CNCc1ccccn1 207a_100102657272_100000209966 [1,0,0,0,0,0|2,0,1]=4 157 B9R1.8 CNCc1ccccn1 2230a_106832991635_100000721315 [1,0,0,0,0,0|2,0,1]=4 158 B9R1.8 CNCc1ccccn1 270004a_106832991635_100000209966 [1,0,0,0,0,0|2,0,1]=4 159 B9R1.8 CNCc1ccccn1 34a_100102657272_100000721315 [1,0,0,0,0,0|2,0,1]=4 160 B9R1.8 CNCc1ccccn1 7a_106832991635_100000721315 [1,0,0,0,0,0|2,0,1]=4 161 B9R1.8 CNCc1cccnc1 207a_100102657272_100000209961 [1,0,0,0,0,0|2,0,1]=4 162 B9R1.8 CNCc1cccnc1 2230a_106832991635_100000741622 [1,0,0,0,0,0|2,0,1]=4 163 B9R1.8 CNCc1cccnc1 270004a_106832991635_100000209961 [1,0,0,0,0,0|2,0,1]=4 164 B9R1.8 CNCc1cccnc1 34a_100102657272_100000733263 [1,0,0,0,0,0|2,0,1]=4 165 B9R1.8 CNCc1cccnc1 7a_106832991635_100000741622 [1,0,0,0,0,0|2,0,1]=4 166 B9R1.8 CNCc1ccncc1 207a_100102657272_100000186114 [1,0,0,0,0,0|2,0,1]=4 167 B9R1.8 CNCc1ccncc1 2230a_106832991635_100015193705 [1,0,0,0,0,0|2,0,1]=4 168 B9R1.8 CNCc1ccncc1 7a_106832991635_100015193705 [1,0,0,0,0,0|2,0,1]=4 169 B9R1.8 COCc1ccccc1 34a_100000210790_200000210301 [1,0,0,0,0,0|2,0,0]=3 170 B9R1.8 COCc1ccccc1 34a_100138415774_100015291786 [1,0,0,0,0,0|2,0,0]=3 171 B9R1.8 COCc1ccccc1 7a_100000210790_200000210301 [1,0,0,0,0,0|2,0,0]=3 172 B9R1.8 COCc1ccccn1 34a_100138415774_100000721315 [1,0,0,0,0,0|3,0,0]=4 173 B9R1.8 COCc1cccnc1 34a_100138415774_100000733263 [1,0,0,0,0,0|3,0,0]=4 174 B9R1.8 CSCc1ccccc1 62a_100000211182_200000210301 [1,0,0,0,0,0|2,0,0]=3 175 B9R1.8 CSCc1ccccc1 62a_200000210301_100015291786 [1,0,0,0,0,0|2,0,0]=3 176 B9R1.8 CSCc1ccccn1 62a_100000721315_200000210301 [1,0,0,0,0,0|3,0,0]=4 177 B9R1.8 CSCc1ccccn1 62a_200000210301_100000721315 [1,0,0,0,0,0|3,0,0]=4 178 B9R1.8 CSCc1cccnc1 62a_100000741622_200000210301 [1,0,0,0,0,0|3,0,0]=4 179 B9R1.8 CSCc1cccnc1 62a_200000210301_100000741622 [1,0,0,0,0,0|3,0,0]=4 180 B9R1.8 CSCc1ccncc1 62a_100015193705_200000210301 [1,0,0,0,0,0|3,0,0]=4 181 B9R1.8 CSCc1ccncc1 62a_200000210301_100015193705 [1,0,0,0,0,0|3,0,0]=4 182 B9R1.8 FCNc1ccccc1 34a_100000106764_100015361967 [1,0,0,0,0,0|2,0,1]=4 183 B9R1.8 FCOc1ccccc1 34a_100000210340_100015361967 [1,0,0,0,0,0|2,0,1]=4 184 B9R1.8 FCOc1ccccc1 7a_100000210340_100015361967 [1,0,0,0,0,0|2,0,1]=4 185 B9R1.8 FCSc1ccccc1 62a_100000719477_100015361967 [1,0,0,0,0,0|2,0,1]=4 186 B9R1.8 FCSc1ccccc1 62a_100015361967_100000041952 [1,0,0,0,0,0|2,0,1]=4 187 B9R1.8 [13CH3]NCc1ccccc1 2230a_100015324214_200025704644 [1,0,0,0,0,0|1,0,1]=3 188 B9R1.8 [13CH3]NCc1ccccc1 34a_100015324214_200025704644 [1,0,0,0,0,0|1,0,1]=3 189 B9R1.8 [13CH3]OCc1ccccc1 34a_100000210790_200025704644 [1,0,0,0,0,0|2,0,0]=3 190 B9R1.8 [13CH3]OCc1ccccc1 7a_100000210790_200025704644 [1,0,0,0,0,0|2,0,0]=3 191 B9R1.8 [13CH3]SCc1ccccc1 62a_100000211182_200025704644 [1,0,0,0,0,0|2,0,0]=3 192 B9R1.8 [13CH3]SCc1ccccc1 62a_200025704644_100015291786 [1,0,0,0,0,0|2,0,0]=3 193 B9R1.8 [13CH3]SCc1ccccn1 62a_100000721315_200025704644 [1,0,0,0,0,0|3,0,0]=4 194 B9R1.8 [13CH3]SCc1ccccn1 62a_200025704644_100000721315 [1,0,0,0,0,0|3,0,0]=4 195 B9R1.8 [13CH3]SCc1cccnc1 62a_100000741622_200025704644 [1,0,0,0,0,0|3,0,0]=4 196 B9R1.8 [13CH3]SCc1cccnc1 62a_200025704644_100000741622 [1,0,0,0,0,0|3,0,0]=4 197 B9R1.8 [13CH3]SCc1ccncc1 62a_100015193705_200025704644 [1,0,0,0,0,0|3,0,0]=4 198 B9R1.8 [13CH3]SCc1ccncc1 62a_200025704644_100015193705 [1,0,0,0,0,0|3,0,0]=4 199 B11R1.1 CCCCc1ccc(cc1)Br 271570a_100020621405_100000752885 [0,1,0,0,0,0|2,0,1]=4 200 B11R1.1 CCCCc1ccc(cc1)C 271570a_100020621405_100000186775 [0,1,0,0,0,0|2,0,1]=4 201 B11R1.1 CCCCc1ccc(cc1)Cl 271570a_100020621405_100000755918 [0,1,0,0,0,0|2,0,1]=4 202 B11R1.1 CCCCc1ccc(cc1)F 271570a_100020621405_100000211213 [0,1,0,0,0,0|2,0,1]=4 203 B11R1.1 CCCCc1ccc(cc1)N 271570a_100020621405_100000185761 [0,1,0,0,0,0|2,0,1]=4 204 B11R1.1 CCCCc1ccc(cc1)O 271570a_100020621405_100000185759 [0,1,0,0,0,0|2,0,1]=4 205 B11R1.1 CCCCc1ccc(cc1)O 271570a_203496583355_100011215597 [0,1,0,0,0,0|2,0,1]=4 206 B11R1.1 CCNCc1ccc(cc1)Br 207a_100015525214_100000186029 [0,1,0,0,0,0|3,0,0]=4 207 B11R1.1 CCNCc1ccc(cc1)Br 2230a_100000174875_100000210202 [0,1,0,0,0,0|3,0,0]=4 208 B11R1.1 CCNCc1ccc(cc1)Br 2230a_100015525214_100011217064 [0,1,0,0,0,0|3,0,0]=4 209 B11R1.1 CCNCc1ccc(cc1)Br 270004a_100015525214_100000186029 [0,1,0,0,0,0|3,0,0]=4 210 B11R1.1 CCNCc1ccc(cc1)Br 34a_100000174875_100000210202 [0,1,0,0,0,0|3,0,0]=4 211 B11R1.1 CCNCc1ccc(cc1)C 207a_100015525214_100000211033 [0,1,0,0,0,0|3,0,0]=4 212 B11R1.1 CCNCc1ccc(cc1)C 2230a_100000174908_100000210202 [0,1,0,0,0,0|3,0,0]=4 213 B11R1.1 CCNCc1ccc(cc1)C 2230a_100015525214_100000210814 [0,1,0,0,0,0|3,0,0]=4 214 B11R1.1 CCNCc1ccc(cc1)C 270004a_100015525214_100000211033 [0,1,0,0,0,0|3,0,0]=4 215 B11R1.1 CCNCc1ccc(cc1)C 34a_100000174908_100000210202 [0,1,0,0,0,0|3,0,0]=4 216 B11R1.1 CCNCc1ccc(cc1)Cl 207a_100015525214_100000189385 [0,1,0,0,0,0|3,0,0]=4 217 B11R1.1 CCNCc1ccc(cc1)Cl 2230a_100000174871_100000210202 [0,1,0,0,0,0|3,0,0]=4 218 B11R1.1 CCNCc1ccc(cc1)Cl 2230a_100015525214_100000694040 [0,1,0,0,0,0|3,0,0]=4 219 B11R1.1 CCNCc1ccc(cc1)Cl 270004a_100015525214_100000189385 [0,1,0,0,0,0|3,0,0]=4 220 B11R1.1 CCNCc1ccc(cc1)Cl 34a_100000174871_100000210202 [0,1,0,0,0,0|3,0,0]=4 221 B11R1.1 CCNCc1ccc(cc1)F 207a_100015525214_100000210084 [0,1,0,0,0,0|3,0,0]=4 222 B11R1.1 CCNCc1ccc(cc1)F 2230a_100000174882_100000210202 [0,1,0,0,0,0|3,0,0]=4 223 B11R1.1 CCNCc1ccc(cc1)F 2230a_100015525214_100000198546 [0,1,0,0,0,0|3,0,0]=4 224 B11R1.1 CCNCc1ccc(cc1)F 270004a_100015525214_100000210084 [0,1,0,0,0,0|3,0,0]=4 225 B11R1.1 CCNCc1ccc(cc1)F 34a_100000174882_100000210202 [0,1,0,0,0,0|3,0,0]=4 226 B11R1.1 CCNCc1ccc(cc1)I 207a_100015525214_100000188517 [0,1,0,0,0,0|3,0,0]=4 227 B11R1.1 CCNCc1ccc(cc1)I 2230a_100015525214_100000189116 [0,1,0,0,0,0|3,0,0]=4 228 B11R1.1 CCNCc1ccc(cc1)I 2230a_100016989417_100000210202 [0,1,0,0,0,0|3,0,0]=4 229 B11R1.1 CCNCc1ccc(cc1)I 34a_100016989417_100000210202 [0,1,0,0,0,0|3,0,0]=4 230 B11R1.1 CCNCc1ccc(cc1)O 271570a_203496583355_100000187385 [0,1,0,0,0,0|3,0,0]=4 231 B11R1.1 CCNCc1ccc(cc1)O 34a_100000185549_100000210202 [0,1,0,0,0,0|3,0,0]=4 232 B11R1.1 CCOCc1ccc(cc1)Br 34a_100000695286_100000210202 [0,1,0,0,0,0|3,0,0]=4 233 B11R1.1 CCOCc1ccc(cc1)Br 34a_100121572206_100000189115 [0,1,0,0,0,0|3,0,0]=4 234 B11R1.1 CCOCc1ccc(cc1)C 34a_100011215236_100000210202 [0,1,0,0,0,0|3,0,0]=4 235 B11R1.1 CCOCc1ccc(cc1)C 34a_100121572206_100000210814 [0,1,0,0,0,0|3,0,0]=4 236 B11R1.1 CCOCc1ccc(cc1)C 7a_100011215236_100000210202 [0,1,0,0,0,0|3,0,0]=4 237 B11R1.1 CCOCc1ccc(cc1)Cl 34a_100000211118_100000210202 [0,1,0,0,0,0|3,0,0]=4 238 B11R1.1 CCOCc1ccc(cc1)Cl 34a_100121572206_100000694040 [0,1,0,0,0,0|3,0,0]=4 239 B11R1.1 CCOCc1ccc(cc1)Cl 7a_100000211118_100000210202 [0,1,0,0,0,0|3,0,0]=4 240 B11R1.1 CCOCc1ccc(cc1)F 34a_100000210977_100000210202 [0,1,0,0,0,0|3,0,0]=4 241 B11R1.1 CCOCc1ccc(cc1)F 34a_100121572206_100000198546 [0,1,0,0,0,0|3,0,0]=4 242 B11R1.1 CCOCc1ccc(cc1)F 7a_100000210977_100000210202 [0,1,0,0,0,0|3,0,0]=4 243 B11R1.1 CCOCc1ccc(cc1)I 34a_100000690907_100000210202 [0,1,0,0,0,0|3,0,0]=4 244 B11R1.1 CCOCc1ccc(cc1)I 34a_100121572206_100000189116 [0,1,0,0,0,0|3,0,0]=4 245 B11R1.1 CCOCc1ccc(cc1)I 7a_100000690907_100000210202 [0,1,0,0,0,0|3,0,0]=4 246 B11R1.1 CCOCc1ccc(cc1)N 34a_100011215238_100000210202 [0,1,0,0,0,0|3,0,0]=4 247 B11R1.1 CCOCc1ccc(cc1)O 271570a_203496583355_100000758564 [0,1,0,0,0,0|3,0,0]=4 248 B11R1.1 CCSCc1ccc(cc1)Br 62a_100000189115_100000210202 [0,1,0,0,0,0|3,0,0]=4 249 B11R1.1 CCSCc1ccc(cc1)Br 62a_100000210202_100000189115 [0,1,0,0,0,0|3,0,0]=4 250 B11R1.1 CCSCc1ccc(cc1)C 62a_100000210202_100000210814 [0,1,0,0,0,0|3,0,0]=4 251 B11R1.1 CCSCc1ccc(cc1)C 62a_100000210814_100000210202 [0,1,0,0,0,0|3,0,0]=4 252 B11R1.1 CCSCc1ccc(cc1)Cl 62a_100000187161_100000210202 [0,1,0,0,0,0|3,0,0]=4 253 B11R1.1 CCSCc1ccc(cc1)Cl 62a_100000210202_100000187161 [0,1,0,0,0,0|3,0,0]=4 254 B11R1.1 CCSCc1ccc(cc1)F 62a_100000198546_100000210202 [0,1,0,0,0,0|3,0,0]=4 255 B11R1.1 CCSCc1ccc(cc1)F 62a_100000210202_100000187164 [0,1,0,0,0,0|3,0,0]=4 256 B11R1.1 CCSCc1ccc(cc1)I 62a_100000189116_100000210202 [0,1,0,0,0,0|3,0,0]=4 257 B11R1.1 CCSCc1ccc(cc1)I 62a_100000210202_100000189116 [0,1,0,0,0,0|3,0,0]=4 258 B11R1.1 CNCCc1ccc(cc1)Br 2230a_100000755846_200000210301 [0,1,0,0,0,0|1,0,2]=4 259 B11R1.1 CNCCc1ccc(cc1)Br 2230a_106832991635_100011740612 [0,1,0,0,0,0|1,0,2]=4 260 B11R1.1 CNCCc1ccc(cc1)Br 34a_100000755846_200000210301 [0,1,0,0,0,0|1,0,2]=4 261 B11R1.1 CNCCc1ccc(cc1)Br 34a_100102657272_100011740612 [0,1,0,0,0,0|1,0,2]=4 262 B11R1.1 CNCCc1ccc(cc1)Br 7a_106832991635_100011740612 [0,1,0,0,0,0|1,0,2]=4 263 B11R1.1 CNCCc1ccc(cc1)C 2230a_100000705350_200000210301 [0,1,0,0,0,0|1,0,2]=4 264 B11R1.1 CNCCc1ccc(cc1)C 2230a_106832991635_100011713686 [0,1,0,0,0,0|1,0,2]=4 265 B11R1.1 CNCCc1ccc(cc1)C 34a_100000705350_200000210301 [0,1,0,0,0,0|1,0,2]=4 266 B11R1.1 CNCCc1ccc(cc1)C 34a_100102657272_100011713686 [0,1,0,0,0,0|1,0,2]=4 267 B11R1.1 CNCCc1ccc(cc1)C 7a_106832991635_100011713686 [0,1,0,0,0,0|1,0,2]=4 268 B11R1.1 CNCCc1ccc(cc1)Cl 2230a_100000185265_200000210301 [0,1,0,0,0,0|1,0,2]=4 269 B11R1.1 CNCCc1ccc(cc1)Cl 2230a_106832991635_100011713675 [0,1,0,0,0,0|1,0,2]=4 270 B11R1.1 CNCCc1ccc(cc1)Cl 34a_100000185265_200000210301 [0,1,0,0,0,0|1,0,2]=4 271 B11R1.1 CNCCc1ccc(cc1)Cl 34a_100102657272_100011713675 [0,1,0,0,0,0|1,0,2]=4 272 B11R1.1 CNCCc1ccc(cc1)Cl 7a_106832991635_100011713675 [0,1,0,0,0,0|1,0,2]=4 273 B11R1.1 CNCCc1ccc(cc1)F 2230a_100000199005_200000210301 [0,1,0,0,0,0|1,0,2]=4 274 B11R1.1 CNCCc1ccc(cc1)F 2230a_106832991635_100011217392 [0,1,0,0,0,0|1,0,2]=4 275 B11R1.1 CNCCc1ccc(cc1)F 34a_100000199005_200000210301 [0,1,0,0,0,0|1,0,2]=4 276 B11R1.1 CNCCc1ccc(cc1)F 34a_100102657272_100011217392 [0,1,0,0,0,0|1,0,2]=4 277 B11R1.1 CNCCc1ccc(cc1)F 7a_106832991635_100011217392 [0,1,0,0,0,0|1,0,2]=4 278 B11R1.1 CNCCc1ccc(cc1)O 2230a_106832991635_100009816426 [0,1,0,0,0,0|1,0,2]=4 279 B11R1.1 CNCCc1ccc(cc1)O 271570a_203496583355_100000752880 [0,1,0,0,0,0|1,0,2]=4 280 B11R1.1 CNCCc1ccc(cc1)O 34a_100000743037_200000210301 [0,1,0,0,0,0|1,0,2]=4 281 B11R1.1 CNCCc1ccc(cc1)O 7a_106832991635_100009816426 [0,1,0,0,0,0|1,0,2]=4 282 B11R1.1 COC=Cc1ccc(cc1)O 271570a_203496583355_100020630460 [0,1,0,0,0,0|2,0,1]=4 283 B11R1.1 COCCc1ccc(cc1)Br 34a_100000766406_200000210301 [0,1,0,0,0,0|2,0,1]=4 284 B11R1.1 COCCc1ccc(cc1)Br 34a_100138415774_100011740612 [0,1,0,0,0,0|2,0,1]=4 285 B11R1.1 COCCc1ccc(cc1)Br 7a_100000766406_200000210301 [0,1,0,0,0,0|2,0,1]=4 286 B11R1.1 COCCc1ccc(cc1)C 34a_100000756670_200000210301 [0,1,0,0,0,0|2,0,1]=4 287 B11R1.1 COCCc1ccc(cc1)C 34a_100138415774_100011713686 [0,1,0,0,0,0|2,0,1]=4 288 B11R1.1 COCCc1ccc(cc1)C 7a_100000756670_200000210301 [0,1,0,0,0,0|2,0,1]=4 289 B11R1.1 COCCc1ccc(cc1)Cl 34a_100011219627_200000210301 [0,1,0,0,0,0|2,0,1]=4 290 B11R1.1 COCCc1ccc(cc1)Cl 34a_100138415774_100011713675 [0,1,0,0,0,0|2,0,1]=4 291 B11R1.1 COCCc1ccc(cc1)Cl 7a_100011219627_200000210301 [0,1,0,0,0,0|2,0,1]=4 292 B11R1.1 COCCc1ccc(cc1)F 34a_100000754732_200000210301 [0,1,0,0,0,0|2,0,1]=4 293 B11R1.1 COCCc1ccc(cc1)F 34a_100138415774_100011217392 [0,1,0,0,0,0|2,0,1]=4 294 B11R1.1 COCCc1ccc(cc1)F 7a_100000754732_200000210301 [0,1,0,0,0,0|2,0,1]=4 295 B11R1.1 COCCc1ccc(cc1)I 34a_100012291149_200000210301 [0,1,0,0,0,0|2,0,1]=4 296 B11R1.1 COCCc1ccc(cc1)I 7a_100012291149_200000210301 [0,1,0,0,0,0|2,0,1]=4 297 B11R1.1 COCCc1ccc(cc1)N 34a_100011204434_200000210301 [0,1,0,0,0,0|2,0,1]=4 298 B11R1.1 COCCc1ccc(cc1)O 271570a_203496583355_100000739703 [0,1,0,0,0,0|2,0,1]=4 299 B11R1.1 CSCCc1ccc(cc1)Br 62a_100011740612_200000210301 [0,1,0,0,0,0|2,0,1]=4 300 B11R1.1 CSCCc1ccc(cc1)Br 62a_200000210301_100011740612 [0,1,0,0,0,0|2,0,1]=4 301 B11R1.1 CSCCc1ccc(cc1)C 62a_100011713686_200000210301 [0,1,0,0,0,0|2,0,1]=4 302 B11R1.1 CSCCc1ccc(cc1)C 62a_200000210301_100011713686 [0,1,0,0,0,0|2,0,1]=4 303 B11R1.1 CSCCc1ccc(cc1)Cl 62a_100011713675_200000210301 [0,1,0,0,0,0|2,0,1]=4 304 B11R1.1 CSCCc1ccc(cc1)Cl 62a_200000210301_100011713675 [0,1,0,0,0,0|2,0,1]=4 305 B11R1.1 CSCCc1ccc(cc1)F 62a_100011217392_200000210301 [0,1,0,0,0,0|2,0,1]=4 306 B11R1.1 CSCCc1ccc(cc1)F 62a_200000210301_100011217392 [0,1,0,0,0,0|2,0,1]=4 307 B11R1.1 CSCCc1ccc(cc1)O 62a_100009816426_200000210301 [0,1,0,0,0,0|2,0,1]=4 308 B11R1.1 CSCCc1ccc(cc1)O 62a_200000210301_100009816426 [0,1,0,0,0,0|2,0,1]=4 309 B11R1.1 Cc1ccc(cc1)CCN[13CH3] 2230a_100000705350_200025704644 [0,1,0,0,0,0|1,0,2]=4 310 B11R1.1 Cc1ccc(cc1)CCN[13CH3] 34a_100000705350_200025704644 [0,1,0,0,0,0|1,0,2]=4 311 B11R1.1 Cc1ccc(cc1)CCO[13CH3] 34a_100000756670_200025704644 [0,1,0,0,0,0|2,0,1]=4 312 B11R1.1 Cc1ccc(cc1)CCO[13CH3] 7a_100000756670_200025704644 [0,1,0,0,0,0|2,0,1]=4 313 B11R1.1 Cc1ccc(cc1)CCS[13CH3] 62a_100011713686_200025704644 [0,1,0,0,0,0|2,0,1]=4 314 B11R1.1 Cc1ccc(cc1)CCS[13CH3] 62a_200025704644_100011713686 [0,1,0,0,0,0|2,0,1]=4 315 B11R1.1 Cc1ccc(cc1)CNCF 34a_100000174908_100015361967 [0,1,0,0,0,0|3,0,0]=4 316 B11R1.1 Cc1ccc(cc1)COCF 34a_100011215236_100015361967 [0,1,0,0,0,0|3,0,0]=4 317 B11R1.1 Cc1ccc(cc1)COCF 7a_100011215236_100015361967 [0,1,0,0,0,0|3,0,0]=4 318 B11R1.1 Cc1ccc(cc1)CSCF 62a_100000210814_100015361967 [0,1,0,0,0,0|3,0,0]=4 319 B11R1.1 Cc1ccc(cc1)CSCF 62a_100015361967_100000210814 [0,1,0,0,0,0|3,0,0]=4 320 B11R1.1 Cc1ccc(cc1)NCCO 34a_100000124888_100000211926 [0,1,0,0,0,0|2,0,1]=4 321 B11R1.1 Cc1ccc(cc1)OCCO 34a_100000210336_100000211926 [0,1,0,0,0,0|2,0,1]=4 322 B11R1.1 Cc1ccc(cc1)OCCO 7a_100000210336_100000211926 [0,1,0,0,0,0|2,0,1]=4 323 B11R1.1 Cc1ccc(cc1)SCCO 62a_100000186775_100000211926 [0,1,0,0,0,0|2,0,1]=4 324 B11R1.1 Cc1ccc(cc1)SCCO 62a_100000211926_100000186775 [0,1,0,0,0,0|2,0,1]=4 325 B11R1.1 FCNCc1ccc(cc1)Br 34a_100000174875_100015361967 [0,1,0,0,0,0|3,0,0]=4 326 B11R1.1 FCNCc1ccc(cc1)Cl 34a_100000174871_100015361967 [0,1,0,0,0,0|3,0,0]=4 327 B11R1.1 FCNCc1ccc(cc1)F 34a_100000174882_100015361967 [0,1,0,0,0,0|3,0,0]=4 328 B11R1.1 FCNCc1ccc(cc1)I 34a_100016989417_100015361967 [0,1,0,0,0,0|3,0,0]=4 329 B11R1.1 FCOCc1ccc(cc1)Br 34a_100000695286_100015361967 [0,1,0,0,0,0|3,0,0]=4 330 B11R1.1 FCOCc1ccc(cc1)Cl 34a_100000211118_100015361967 [0,1,0,0,0,0|3,0,0]=4 331 B11R1.1 FCOCc1ccc(cc1)Cl 7a_100000211118_100015361967 [0,1,0,0,0,0|3,0,0]=4 332 B11R1.1 FCOCc1ccc(cc1)F 34a_100000210977_100015361967 [0,1,0,0,0,0|3,0,0]=4 333 B11R1.1 FCOCc1ccc(cc1)F 7a_100000210977_100015361967 [0,1,0,0,0,0|3,0,0]=4 334 B11R1.1 FCOCc1ccc(cc1)I 34a_100000690907_100015361967 [0,1,0,0,0,0|3,0,0]=4 335 B11R1.1 FCOCc1ccc(cc1)I 7a_100000690907_100015361967 [0,1,0,0,0,0|3,0,0]=4 336 B11R1.1 FCSCc1ccc(cc1)Br 62a_100000189115_100015361967 [0,1,0,0,0,0|3,0,0]=4 337 B11R1.1 FCSCc1ccc(cc1)Br 62a_100015361967_100000189115 [0,1,0,0,0,0|3,0,0]=4 338 B11R1.1 FCSCc1ccc(cc1)Cl 62a_100000187161_100015361967 [0,1,0,0,0,0|3,0,0]=4 339 B11R1.1 FCSCc1ccc(cc1)Cl 62a_100015361967_100000187161 [0,1,0,0,0,0|3,0,0]=4 340 B11R1.1 FCSCc1ccc(cc1)F 62a_100000198546_100015361967 [0,1,0,0,0,0|3,0,0]=4 341 B11R1.1 FCSCc1ccc(cc1)F 62a_100015361967_100000187164 [0,1,0,0,0,0|3,0,0]=4 342 B11R1.1 FCSCc1ccc(cc1)I 62a_100000189116_100015361967 [0,1,0,0,0,0|3,0,0]=4 343 B11R1.1 FCSCc1ccc(cc1)I 62a_100015361967_100000189116 [0,1,0,0,0,0|3,0,0]=4 344 B11R1.1 N#CCCc1ccc(cc1)O 271570a_203496583355_100011216407 [0,1,0,0,0,0|2,0,1]=4 345 B11R1.1 N#CSCc1ccc(cc1)O 271570a_203496583355_200010141448 [0,1,0,0,0,0|3,0,0]=4 346 B11R1.1 NCCCc1ccc(cc1)O 271570a_203496583355_100011297623 [0,1,0,0,0,0|2,0,1]=4 347 B11R1.1 Nc1ccc(cc1)COCF 34a_100011215238_100015361967 [0,1,0,0,0,0|3,0,0]=4 348 B11R1.1 Nc1ccc(cc1)OCCO 34a_100000185829_100000211926 [0,1,0,0,0,0|2,0,1]=4 349 B11R1.1 Nc1ccc(cc1)SCCO 62a_100000185761_100000211926 [0,1,0,0,0,0|2,0,1]=4 350 B11R1.1 Nc1ccc(cc1)SCCO 62a_100000211926_100000185761 [0,1,0,0,0,0|2,0,1]=4 351 B11R1.1 O=CCCc1ccc(cc1)O 271570a_203496583355_100011361538 [0,1,0,0,0,0|1,0,2]=4 352 B11R1.1 OCC#Cc1ccc(cc1)O 271570a_203496583355_100009814260 [0,1,0,0,0,0|1,0,2]=4 353 B11R1.1 OCCCc1ccc(cc1)O 271570a_203496583355_100011709247 [0,1,0,0,0,0|1,0,1]=3 354 B11R1.1 OCCNc1ccc(cc1)Br 2230a_100000210018_100000211926 [0,1,0,0,0,0|2,0,1]=4 355 B11R1.1 OCCNc1ccc(cc1)Br 34a_100000210018_100000211926 [0,1,0,0,0,0|2,0,1]=4 356 B11R1.1 OCCNc1ccc(cc1)Cl 2230a_100000210052_100000211926 [0,1,0,0,0,0|2,0,1]=4 357 B11R1.1 OCCNc1ccc(cc1)Cl 34a_100000210052_100000211926 [0,1,0,0,0,0|2,0,1]=4 358 B11R1.1 OCCNc1ccc(cc1)F 34a_100000185862_100000211926 [0,1,0,0,0,0|2,0,1]=4 359 B11R1.1 OCCNc1ccc(cc1)I 34a_100000185761_100000211926 [0,1,0,0,0,0|2,0,1]=4 360 B11R1.1 OCCNc1ccc(cc1)O 34a_100000185829_100000211926 [0,1,0,0,0,0|2,0,1]=4 361 B11R1.1 OCCOc1ccc(cc1)Br 34a_100000185759_100000211926 [0,1,0,0,0,0|2,0,1]=4 362 B11R1.1 OCCOc1ccc(cc1)Br 7a_100000185759_100000211926 [0,1,0,0,0,0|2,0,1]=4 363 B11R1.1 OCCOc1ccc(cc1)Cl 34a_100000210216_100000211926 [0,1,0,0,0,0|2,0,1]=4 364 B11R1.1 OCCOc1ccc(cc1)Cl 7a_100000210216_100000211926 [0,1,0,0,0,0|2,0,1]=4 365 B11R1.1 OCCOc1ccc(cc1)F 34a_100000210339_100000211926 [0,1,0,0,0,0|2,0,1]=4 366 B11R1.1 OCCOc1ccc(cc1)I 34a_100000212066_100000211926 [0,1,0,0,0,0|2,0,1]=4 367 B11R1.1 OCCOc1ccc(cc1)I 7a_100000212066_100000211926 [0,1,0,0,0,0|2,0,1]=4 368 B11R1.1 OCCOc1ccc(cc1)O 271570a_203496583355_100000686261 [0,1,0,0,0,0|2,0,1]=4 369 B11R1.1 OCCSc1ccc(cc1)Br 62a_100000211926_100000752885 [0,1,0,0,0,0|2,0,1]=4 370 B11R1.1 OCCSc1ccc(cc1)Br 62a_100000752885_100000211926 [0,1,0,0,0,0|2,0,1]=4 371 B11R1.1 OCCSc1ccc(cc1)Cl 62a_100000211926_100000755918 [0,1,0,0,0,0|2,0,1]=4 372 B11R1.1 OCCSc1ccc(cc1)Cl 62a_100000755918_100000211926 [0,1,0,0,0,0|2,0,1]=4 373 B11R1.1 OCCSc1ccc(cc1)F 62a_100000211213_100000211926 [0,1,0,0,0,0|2,0,1]=4 374 B11R1.1 OCCSc1ccc(cc1)F 62a_100000211926_100000211213 [0,1,0,0,0,0|2,0,1]=4 375 B11R1.1 OCCSc1ccc(cc1)O 62a_100000211926_100000185759 [0,1,0,0,0,0|2,0,1]=4 376 B11R1.1 Oc1ccc(cc1)CNCF 34a_100000185549_100015361967 [0,1,0,0,0,0|3,0,0]=4 377 B11R1.1 [13CH3]NCCc1ccc(cc1)Br 2230a_100000755846_200025704644 [0,1,0,0,0,0|1,0,2]=4 378 B11R1.1 [13CH3]NCCc1ccc(cc1)Br 34a_100000755846_200025704644 [0,1,0,0,0,0|1,0,2]=4 379 B11R1.1 [13CH3]NCCc1ccc(cc1)Cl 2230a_100000185265_200025704644 [0,1,0,0,0,0|1,0,2]=4 380 B11R1.1 [13CH3]NCCc1ccc(cc1)Cl 34a_100000185265_200025704644 [0,1,0,0,0,0|1,0,2]=4 381 B11R1.1 [13CH3]NCCc1ccc(cc1)F 2230a_100000199005_200025704644 [0,1,0,0,0,0|1,0,2]=4 382 B11R1.1 [13CH3]NCCc1ccc(cc1)F 34a_100000199005_200025704644 [0,1,0,0,0,0|1,0,2]=4 383 B11R1.1 [13CH3]NCCc1ccc(cc1)O 34a_100000743037_200025704644 [0,1,0,0,0,0|1,0,2]=4 384 B11R1.1 [13CH3]OCCc1ccc(cc1)Br 34a_100000766406_200025704644 [0,1,0,0,0,0|2,0,1]=4 385 B11R1.1 [13CH3]OCCc1ccc(cc1)Br 7a_100000766406_200025704644 [0,1,0,0,0,0|2,0,1]=4 386 B11R1.1 [13CH3]OCCc1ccc(cc1)Cl 34a_100011219627_200025704644 [0,1,0,0,0,0|2,0,1]=4 387 B11R1.1 [13CH3]OCCc1ccc(cc1)Cl 7a_100011219627_200025704644 [0,1,0,0,0,0|2,0,1]=4 388 B11R1.1 [13CH3]OCCc1ccc(cc1)F 34a_100000754732_200025704644 [0,1,0,0,0,0|2,0,1]=4 389 B11R1.1 [13CH3]OCCc1ccc(cc1)F 7a_100000754732_200025704644 [0,1,0,0,0,0|2,0,1]=4 390 B11R1.1 [13CH3]OCCc1ccc(cc1)I 34a_100012291149_200025704644 [0,1,0,0,0,0|2,0,1]=4 391 B11R1.1 [13CH3]OCCc1ccc(cc1)I 7a_100012291149_200025704644 [0,1,0,0,0,0|2,0,1]=4 392 B11R1.1 [13CH3]OCCc1ccc(cc1)N 34a_100011204434_200025704644 [0,1,0,0,0,0|2,0,1]=4 393 B11R1.1 [13CH3]SCCc1ccc(cc1)Br 62a_100011740612_200025704644 [0,1,0,0,0,0|2,0,1]=4 394 B11R1.1 [13CH3]SCCc1ccc(cc1)Br 62a_200025704644_100011740612 [0,1,0,0,0,0|2,0,1]=4 395 B11R1.1 [13CH3]SCCc1ccc(cc1)Cl 62a_100011713675_200025704644 [0,1,0,0,0,0|2,0,1]=4 396 B11R1.1 [13CH3]SCCc1ccc(cc1)Cl 62a_200025704644_100011713675 [0,1,0,0,0,0|2,0,1]=4 397 B11R1.1 [13CH3]SCCc1ccc(cc1)F 62a_100011217392_200025704644 [0,1,0,0,0,0|2,0,1]=4 398 B11R1.1 [13CH3]SCCc1ccc(cc1)F 62a_200025704644_100011217392 [0,1,0,0,0,0|2,0,1]=4 399 B11R1.1 [13CH3]SCCc1ccc(cc1)O 62a_100009816426_200025704644 [0,1,0,0,0,0|2,0,1]=4 400 B11R1.1 [13CH3]SCCc1ccc(cc1)O 62a_200025704644_100009816426 [0,1,0,0,0,0|2,0,1]=4 401 B11R1.16 CC(CN[13CH3])c1ccccc1 2230a_100000701038_200025704644 [0,1,0,0,0,0|1,0,2]=4 402 B11R1.16 CC(CN[13CH3])c1ccccc1 34a_100000701038_200025704644 [0,1,0,0,0,0|1,0,2]=4 403 B11R1.16 CC(CO[13CH3])c1ccccc1 34a_100011215166_200025704644 [0,1,0,0,0,0|2,0,1]=4 404 B11R1.16 CC(CO[13CH3])c1ccccc1 7a_100011215166_200025704644 [0,1,0,0,0,0|2,0,1]=4 405 B11R1.16 CC(CS[13CH3])c1ccccc1 62a_100000756946_200025704644 [0,1,0,0,0,0|2,0,1]=4 406 B11R1.16 CC(CS[13CH3])c1ccccc1 62a_200025704644_100000756946 [0,1,0,0,0,0|2,0,1]=4 407 B11R1.16 CC(SCF)c1ccccc1 62a_100000230085_100015361967 [0,1,0,0,0,0|3,0,0]=4 408 B11R1.16 CC(SCF)c1ccccc1 62a_100015361967_100000230085 [0,1,0,0,0,0|3,0,0]=4 409 B11R1.16 CCNC(C)c1ccccc1 2230a_100015525214_100000230085 [0,1,0,0,0,0|3,0,0]=4 410 B11R1.16 CCNC(C)c1ccccc1 269862a_100015525214_100000185851 [0,1,0,0,0,0|3,0,0]=4 411 B11R1.16 CCN[C@H](C)c1ccccc1 2230a_100000751104_100000210202 [0,1,0,0,0,0|3,0,0]=4 412 B11R1.16 CCOC(C)c1ccccc1 34a_100121572206_100000211855 [0,1,0,0,0,0|3,0,0]=4 413 B11R1.16 CCO[C@H](C)c1ccccc1 34a_100000761318_100000210202 [0,1,0,0,0,0|3,0,0]=4 414 B11R1.16 CCO[C@H](C)c1ccccc1 7a_100000761318_100000210202 [0,1,0,0,0,0|3,0,0]=4 415 B11R1.16 CCSC(C)c1ccccc1 62a_100000210202_100000230085 [0,1,0,0,0,0|3,0,0]=4 416 B11R1.16 CCSC(C)c1ccccc1 62a_100000230085_100000210202 [0,1,0,0,0,0|3,0,0]=4 417 B11R1.16 CN(CCO)c1ccccc1 2230a_100000210012_100000211926 [0,1,0,0,0,0|2,0,1]=4 418 B11R1.16 CN(CCO)c1ccccc1 2230a_100000211345_200000210301 [0,1,0,0,0,0|2,0,1]=4 419 B11R1.16 CN(CCO)c1ccccc1 269982a_100000210012_100000211926 [0,1,0,0,0,0|2,0,1]=4 420 B11R1.16 CN(CCO)c1ccccc1 269982a_100000211345_200000210301 [0,1,0,0,0,0|2,0,1]=4 421 B11R1.16 CN(CCO)c1ccccc1 34a_100000210012_100000211926 [0,1,0,0,0,0|2,0,1]=4 422 B11R1.16 CN(CCO)c1ccccc1 34a_100000211345_200000210301 [0,1,0,0,0,0|2,0,1]=4 423 B11R1.16 CNCC(C)c1ccccc1 2230a_100000701038_200000210301 [0,1,0,0,0,0|1,0,2]=4 424 B11R1.16 CNCC(C)c1ccccc1 2230a_106832991635_100000756946 [0,1,0,0,0,0|1,0,2]=4 425 B11R1.16 CNCC(C)c1ccccc1 270004a_106832991635_100000212034 [0,1,0,0,0,0|1,0,2]=4 426 B11R1.16 CNCC(C)c1ccccc1 34a_100000701038_200000210301 [0,1,0,0,0,0|1,0,2]=4 427 B11R1.16 CNCC(C)c1ccccc1 34a_100102657272_100000756946 [0,1,0,0,0,0|1,0,2]=4 428 B11R1.16 CNCC(C)c1ccccc1 7a_106832991635_100000756946 [0,1,0,0,0,0|1,0,2]=4 429 B11R1.16 CNCC(O)c1ccccc1 2230a_100000210709_200000210301 [0,1,0,0,0,0|1,0,2]=4 430 B11R1.16 CNCC(O)c1ccccc1 2230a_106832991635_100000185958 [0,1,0,0,0,0|1,0,2]=4 431 B11R1.16 CNCC(O)c1ccccc1 34a_100102657272_100000185958 [0,1,0,0,0,0|1,0,2]=4 432 B11R1.16 CNCC(O)c1ccccc1 7a_106832991635_100000185958 [0,1,0,0,0,0|1,0,2]=4 433 B11R1.16 CNC[C@@H](O)c1ccccc1 2230a_106832991635_100011933945 [0,1,0,0,0,0|1,0,2]=4 434 B11R1.16 CNC[C@@H](O)c1ccccc1 34a_100102657272_100011933945 [0,1,0,0,0,0|1,0,2]=4 435 B11R1.16 CNC[C@@H](O)c1ccccc1 7a_106832991635_100011933945 [0,1,0,0,0,0|1,0,2]=4 436 B11R1.16 COCC(C)c1ccccc1 34a_100011215166_200000210301 [0,1,0,0,0,0|2,0,1]=4 437 B11R1.16 COCC(C)c1ccccc1 34a_100138415774_100000756946 [0,1,0,0,0,0|2,0,1]=4 438 B11R1.16 COCC(C)c1ccccc1 7a_100011215166_200000210301 [0,1,0,0,0,0|2,0,1]=4 439 B11R1.16 COCC(O)c1ccccc1 34a_100138415774_100000185958 [0,1,0,0,0,0|2,0,1]=4 440 B11R1.16 COC[C@@H](N)c1ccccc1 34a_100000751927_200000210301 [0,1,0,0,0,0|2,0,1]=4 441 B11R1.16 COC[C@@H](O)c1ccccc1 34a_100138415774_100011933945 [0,1,0,0,0,0|2,0,1]=4 442 B11R1.16 CSCC(C)c1ccccc1 62a_100000756946_200000210301 [0,1,0,0,0,0|2,0,1]=4 443 B11R1.16 CSCC(C)c1ccccc1 62a_200000210301_100000756946 [0,1,0,0,0,0|2,0,1]=4 444 B11R1.16 CSCC(O)c1ccccc1 62a_100000185958_200000210301 [0,1,0,0,0,0|2,0,1]=4 445 B11R1.16 CSCC(O)c1ccccc1 62a_200000210301_100000185958 [0,1,0,0,0,0|2,0,1]=4 446 B11R1.16 CSC[C@@H](O)c1ccccc1 62a_100011933945_200000210301 [0,1,0,0,0,0|2,0,1]=4 447 B11R1.16 CSC[C@@H](O)c1ccccc1 62a_200000210301_100011933945 [0,1,0,0,0,0|2,0,1]=4 448 B11R1.16 C[C@@H](OCF)c1ccccc1 34a_100000761318_100015361967 [0,1,0,0,0,0|3,0,0]=4 449 B11R1.16 C[C@@H](OCF)c1ccccc1 7a_100000761318_100015361967 [0,1,0,0,0,0|3,0,0]=4 450 B11R1.16 O=C(CCO)c1ccccc1 1458a_100000185807_100000211926 [0,1,0,0,0,0|1,0,2]=4 451 B11R1.16 [13CH3]N(CCO)c1ccccc1 2230a_100000211345_200025704644 [0,1,0,0,0,0|2,0,1]=4 452 B11R1.16 [13CH3]N(CCO)c1ccccc1 269982a_100000211345_200025704644 [0,1,0,0,0,0|2,0,1]=4 453 B11R1.16 [13CH3]N(CCO)c1ccccc1 34a_100000211345_200025704644 [0,1,0,0,0,0|2,0,1]=4 454 B11R1.16 [13CH3]NCC(O)c1ccccc1 2230a_100000210709_200025704644 [0,1,0,0,0,0|1,0,2]=4 455 B11R1.16 [13CH3]OC[C@@H](N)c1ccccc1 34a_100000751927_200025704644 [0,1,0,0,0,0|2,0,1]=4 456 B11R1.16 [13CH3]SCC(O)c1ccccc1 62a_100000185958_200025704644 [0,1,0,0,0,0|2,0,1]=4 457 B11R1.16 [13CH3]SCC(O)c1ccccc1 62a_200025704644_100000185958 [0,1,0,0,0,0|2,0,1]=4 458 B11R1.16 [13CH3]SC[C@@H](O)c1ccccc1 62a_100011933945_200025704644 [0,1,0,0,0,0|2,0,1]=4 459 B11R1.16 [13CH3]SC[C@@H](O)c1ccccc1 62a_200025704644_100011933945 [0,1,0,0,0,0|2,0,1]=4 460 B11R1.17 CCCCc1ccccc1Br 271570a_100020621405_100000695589 [0,1,0,0,0,0|2,0,1]=4 461 B11R1.17 CCCCc1ccccc1C 271570a_100020621405_100000210755 [0,1,0,0,0,0|2,0,1]=4 462 B11R1.17 CCCCc1ccccc1Cl 271570a_100020621405_100000764095 [0,1,0,0,0,0|2,0,1]=4 463 B11R1.17 CCCCc1ccccc1F 271570a_100020621405_100011215700 [0,1,0,0,0,0|2,0,1]=4 464 B11R1.17 CCCCc1ccccc1N 271570a_100020621405_100000210017 [0,1,0,0,0,0|2,0,1]=4 465 B11R1.17 CCCCc1ccccc1O 271570a_100020621405_100000739446 [0,1,0,0,0,0|2,0,1]=4 466 B11R1.17 CCNCc1ccccc1Br 207a_100015525214_100000211189 [0,1,0,0,0,0|3,0,0]=4 467 B11R1.17 CCNCc1ccccc1Br 2230a_100000689332_100000210202 [0,1,0,0,0,0|3,0,0]=4 468 B11R1.17 CCNCc1ccccc1Br 2230a_100015525214_100000184730 [0,1,0,0,0,0|3,0,0]=4 469 B11R1.17 CCNCc1ccccc1Br 270004a_100015525214_100000211189 [0,1,0,0,0,0|3,0,0]=4 470 B11R1.17 CCNCc1ccccc1Br 34a_100000689332_100000210202 [0,1,0,0,0,0|3,0,0]=4 471 B11R1.17 CCNCc1ccccc1C 207a_100015525214_100000211143 [0,1,0,0,0,0|3,0,0]=4 472 B11R1.17 CCNCc1ccccc1C 2230a_100015525214_100000211839 [0,1,0,0,0,0|3,0,0]=4 473 B11R1.17 CCNCc1ccccc1C 270004a_100015525214_100000211143 [0,1,0,0,0,0|3,0,0]=4 474 B11R1.17 CCNCc1ccccc1C 34a_100000174972_100000210202 [0,1,0,0,0,0|3,0,0]=4 475 B11R1.17 CCNCc1ccccc1Cl 207a_100015525214_100000210073 [0,1,0,0,0,0|3,0,0]=4 476 B11R1.17 CCNCc1ccccc1Cl 2230a_100000174879_100000210202 [0,1,0,0,0,0|3,0,0]=4 477 B11R1.17 CCNCc1ccccc1Cl 2230a_100015525214_100000187162 [0,1,0,0,0,0|3,0,0]=4 478 B11R1.17 CCNCc1ccccc1Cl 270004a_100015525214_100000210073 [0,1,0,0,0,0|3,0,0]=4 479 B11R1.17 CCNCc1ccccc1Cl 34a_100000174879_100000210202 [0,1,0,0,0,0|3,0,0]=4 480 B11R1.17 CCNCc1ccccc1F 207a_100015525214_100000210811 [0,1,0,0,0,0|3,0,0]=4 481 B11R1.17 CCNCc1ccccc1F 2230a_100015525214_100000211605 [0,1,0,0,0,0|3,0,0]=4 482 B11R1.17 CCNCc1ccccc1F 270004a_100015525214_100000210811 [0,1,0,0,0,0|3,0,0]=4 483 B11R1.17 CCNCc1ccccc1F 34a_100000174869_100000210202 [0,1,0,0,0,0|3,0,0]=4 484 B11R1.17 CCNCc1ccccc1I 207a_100015525214_100000010305 [0,1,0,0,0,0|3,0,0]=4 485 B11R1.17 CCNCc1ccccc1I 2230a_100015525214_100011215278 [0,1,0,0,0,0|3,0,0]=4 486 B11R1.17 CCNCc1ccccc1I 270004a_100015525214_100000010305 [0,1,0,0,0,0|3,0,0]=4 487 B11R1.17 CCNCc1ccccc1O 34a_100000185550_100000210202 [0,1,0,0,0,0|3,0,0]=4 488 B11R1.17 CCOCc1ccccc1Br 34a_100000756307_100000210202 [0,1,0,0,0,0|3,0,0]=4 489 B11R1.17 CCOCc1ccccc1Br 34a_100121572206_100000184730 [0,1,0,0,0,0|3,0,0]=4 490 B11R1.17 CCOCc1ccccc1Br 7a_100000756307_100000210202 [0,1,0,0,0,0|3,0,0]=4 491 B11R1.17 CCOCc1ccccc1C 34a_100000698903_100000210202 [0,1,0,0,0,0|3,0,0]=4 492 B11R1.17 CCOCc1ccccc1C 34a_100121572206_100000211839 [0,1,0,0,0,0|3,0,0]=4 493 B11R1.17 CCOCc1ccccc1C 7a_100000698903_100000210202 [0,1,0,0,0,0|3,0,0]=4 494 B11R1.17 CCOCc1ccccc1Cl 34a_100000210847_100000210202 [0,1,0,0,0,0|3,0,0]=4 495 B11R1.17 CCOCc1ccccc1Cl 34a_100121572206_100000187162 [0,1,0,0,0,0|3,0,0]=4 496 B11R1.17 CCOCc1ccccc1Cl 7a_100000210847_100000210202 [0,1,0,0,0,0|3,0,0]=4 497 B11R1.17 CCOCc1ccccc1F 34a_100000211962_100000210202 [0,1,0,0,0,0|3,0,0]=4 498 B11R1.17 CCOCc1ccccc1F 34a_100121572206_100000211605 [0,1,0,0,0,0|3,0,0]=4 499 B11R1.17 CCOCc1ccccc1F 7a_100000211962_100000210202 [0,1,0,0,0,0|3,0,0]=4 500 B11R1.17 CCOCc1ccccc1I 34a_100000187465_100000210202 [0,1,0,0,0,0|3,0,0]=4 501 B11R1.17 CCOCc1ccccc1I 34a_100121572206_100011215278 [0,1,0,0,0,0|3,0,0]=4 502 B11R1.17 CCOCc1ccccc1I 7a_100000187465_100000210202 [0,1,0,0,0,0|3,0,0]=4 503 B11R1.17 CCOCc1ccccc1N 34a_100000212039_100000210202 [0,1,0,0,0,0|3,0,0]=4 504 B11R1.17 CCOCc1ccccc1O 271570a_203496583355_200011493690 [0,1,0,0,0,0|3,0,0]=4 505 B11R1.17 CCSCc1ccccc1Br 62a_100000184730_100000210202 [0,1,0,0,0,0|3,0,0]=4 506 B11R1.17 CCSCc1ccccc1Br 62a_100000210202_100000184730 [0,1,0,0,0,0|3,0,0]=4 507 B11R1.17 CCSCc1ccccc1C 62a_100000210202_100000211839 [0,1,0,0,0,0|3,0,0]=4 508 B11R1.17 CCSCc1ccccc1C 62a_100000211839_100000210202 [0,1,0,0,0,0|3,0,0]=4 509 B11R1.17 CCSCc1ccccc1Cl 62a_100000187162_100000210202 [0,1,0,0,0,0|3,0,0]=4 510 B11R1.17 CCSCc1ccccc1Cl 62a_100000210202_100000187162 [0,1,0,0,0,0|3,0,0]=4 511 B11R1.17 CCSCc1ccccc1F 62a_100000210202_100000211605 [0,1,0,0,0,0|3,0,0]=4 512 B11R1.17 CCSCc1ccccc1F 62a_100000211605_100000210202 [0,1,0,0,0,0|3,0,0]=4 513 B11R1.17 CCSCc1ccccc1I 62a_100000210202_100011216222 [0,1,0,0,0,0|3,0,0]=4 514 B11R1.17 CCSCc1ccccc1I 62a_100011216222_100000210202 [0,1,0,0,0,0|3,0,0]=4 515 B11R1.17 CCSCc1ccccc1O 271570a_203496583355_200000173030 [0,1,0,0,0,0|3,0,0]=4 516 B11R1.17 CNCCc1ccccc1Br 2230a_100000747383_200000210301 [0,1,0,0,0,0|1,0,2]=4 517 B11R1.17 CNCCc1ccccc1Br 2230a_106832991635_100012161201 [0,1,0,0,0,0|1,0,2]=4 518 B11R1.17 CNCCc1ccccc1Br 34a_100000747383_200000210301 [0,1,0,0,0,0|1,0,2]=4 519 B11R1.17 CNCCc1ccccc1Br 34a_100102657272_100012161201 [0,1,0,0,0,0|1,0,2]=4 520 B11R1.17 CNCCc1ccccc1Br 7a_106832991635_100012161201 [0,1,0,0,0,0|1,0,2]=4 521 B11R1.17 CNCCc1ccccc1C 2230a_100000685071_200000210301 [0,1,0,0,0,0|1,0,2]=4 522 B11R1.17 CNCCc1ccccc1C 2230a_106832991635_100011713688 [0,1,0,0,0,0|1,0,2]=4 523 B11R1.17 CNCCc1ccccc1C 34a_100000685071_200000210301 [0,1,0,0,0,0|1,0,2]=4 524 B11R1.17 CNCCc1ccccc1C 34a_100102657272_100011713688 [0,1,0,0,0,0|1,0,2]=4 525 B11R1.17 CNCCc1ccccc1C 7a_106832991635_100011713688 [0,1,0,0,0,0|1,0,2]=4 526 B11R1.17 CNCCc1ccccc1Cl 2230a_100011207228_200000210301 [0,1,0,0,0,0|1,0,2]=4 527 B11R1.17 CNCCc1ccccc1Cl 2230a_106832991635_100011713703 [0,1,0,0,0,0|1,0,2]=4 528 B11R1.17 CNCCc1ccccc1Cl 270004a_106832991635_200011713468 [0,1,0,0,0,0|1,0,2]=4 529 B11R1.17 CNCCc1ccccc1Cl 34a_100011207228_200000210301 [0,1,0,0,0,0|1,0,2]=4 530 B11R1.17 CNCCc1ccccc1Cl 34a_100102657272_100011713703 [0,1,0,0,0,0|1,0,2]=4 531 B11R1.17 CNCCc1ccccc1Cl 7a_106832991635_100011713703 [0,1,0,0,0,0|1,0,2]=4 532 B11R1.17 CNCCc1ccccc1F 2230a_100000185272_200000210301 [0,1,0,0,0,0|1,0,2]=4 533 B11R1.17 CNCCc1ccccc1F 2230a_106832991635_100011713696 [0,1,0,0,0,0|1,0,2]=4 534 B11R1.17 CNCCc1ccccc1F 34a_100000185272_200000210301 [0,1,0,0,0,0|1,0,2]=4 535 B11R1.17 CNCCc1ccccc1F 34a_100102657272_100000720011 [0,1,0,0,0,0|1,0,2]=4 536 B11R1.17 CNCCc1ccccc1F 7a_106832991635_100000720011 [0,1,0,0,0,0|1,0,2]=4 537 B11R1.17 CNCCc1ccccc1O 34a_100011207237_200000210301 [0,1,0,0,0,0|1,0,2]=4 538 B11R1.17 CNCCc1ccccc1O 34a_100102657272_100000722297 [0,1,0,0,0,0|1,0,2]=4 539 B11R1.17 CNCCc1ccccc1O 7a_106832991635_100000722297 [0,1,0,0,0,0|1,0,2]=4 540 B11R1.17 COCCc1ccccc1Br 34a_100000731337_200000210301 [0,1,0,0,0,0|2,0,1]=4 541 B11R1.17 COCCc1ccccc1Br 34a_100138415774_100012161201 [0,1,0,0,0,0|2,0,1]=4 542 B11R1.17 COCCc1ccccc1Br 7a_100000731337_200000210301 [0,1,0,0,0,0|2,0,1]=4 543 B11R1.17 COCCc1ccccc1C 34a_100011220023_200000210301 [0,1,0,0,0,0|2,0,1]=4 544 B11R1.17 COCCc1ccccc1C 34a_100138415774_100011713688 [0,1,0,0,0,0|2,0,1]=4 545 B11R1.17 COCCc1ccccc1C 7a_100011220023_200000210301 [0,1,0,0,0,0|2,0,1]=4 546 B11R1.17 COCCc1ccccc1Cl 34a_100011215284_200000210301 [0,1,0,0,0,0|2,0,1]=4 547 B11R1.17 COCCc1ccccc1Cl 34a_100138415774_100011713703 [0,1,0,0,0,0|2,0,1]=4 548 B11R1.17 COCCc1ccccc1Cl 7a_100011215284_200000210301 [0,1,0,0,0,0|2,0,1]=4 549 B11R1.17 COCCc1ccccc1F 34a_100000753711_200000210301 [0,1,0,0,0,0|2,0,1]=4 550 B11R1.17 COCCc1ccccc1F 34a_100138415774_100000720011 [0,1,0,0,0,0|2,0,1]=4 551 B11R1.17 COCCc1ccccc1F 7a_100000753711_200000210301 [0,1,0,0,0,0|2,0,1]=4 552 B11R1.17 COCCc1ccccc1I 34a_100010255290_200000210301 [0,1,0,0,0,0|2,0,1]=4 553 B11R1.17 COCCc1ccccc1I 7a_100010255290_200000210301 [0,1,0,0,0,0|2,0,1]=4 554 B11R1.17 COCCc1ccccc1N 34a_100011215289_200000210301 [0,1,0,0,0,0|2,0,1]=4 555 B11R1.17 COCCc1ccccc1O 34a_100138415774_100000722297 [0,1,0,0,0,0|2,0,1]=4 556 B11R1.17 CSCCc1ccccc1Br 62a_100012161201_200000210301 [0,1,0,0,0,0|2,0,1]=4 557 B11R1.17 CSCCc1ccccc1Br 62a_200000210301_100012161201 [0,1,0,0,0,0|2,0,1]=4 558 B11R1.17 CSCCc1ccccc1C 62a_100011713688_200000210301 [0,1,0,0,0,0|2,0,1]=4 559 B11R1.17 CSCCc1ccccc1C 62a_200000210301_100011713688 [0,1,0,0,0,0|2,0,1]=4 560 B11R1.17 CSCCc1ccccc1Cl 62a_100011713703_200000210301 [0,1,0,0,0,0|2,0,1]=4 561 B11R1.17 CSCCc1ccccc1Cl 62a_200000210301_100011713703 [0,1,0,0,0,0|2,0,1]=4 562 B11R1.17 CSCCc1ccccc1F 62a_100011713696_200000210301 [0,1,0,0,0,0|2,0,1]=4 563 B11R1.17 CSCCc1ccccc1F 62a_200000210301_100011713696 [0,1,0,0,0,0|2,0,1]=4 564 B11R1.17 CSCCc1ccccc1O 62a_100000722297_200000210301 [0,1,0,0,0,0|2,0,1]=4 565 B11R1.17 CSCCc1ccccc1O 62a_200000210301_100000722297 [0,1,0,0,0,0|2,0,1]=4 566 B11R1.17 Cc1ccccc1CCN[13CH3] 2230a_100000685071_200025704644 [0,1,0,0,0,0|1,0,2]=4 567 B11R1.17 Cc1ccccc1CCN[13CH3] 34a_100000685071_200025704644 [0,1,0,0,0,0|1,0,2]=4 568 B11R1.17 Cc1ccccc1CCO[13CH3] 34a_100011220023_200025704644 [0,1,0,0,0,0|2,0,1]=4 569 B11R1.17 Cc1ccccc1CCO[13CH3] 7a_100011220023_200025704644 [0,1,0,0,0,0|2,0,1]=4 570 B11R1.17 Cc1ccccc1CCS[13CH3] 62a_100011713688_200025704644 [0,1,0,0,0,0|2,0,1]=4 571 B11R1.17 Cc1ccccc1CCS[13CH3] 62a_200025704644_100011713688 [0,1,0,0,0,0|2,0,1]=4 572 B11R1.17 Cc1ccccc1CNCF 34a_100000174972_100015361967 [0,1,0,0,0,0|3,0,0]=4 573 B11R1.17 Cc1ccccc1COCF 34a_100000698903_100015361967 [0,1,0,0,0,0|3,0,0]=4 574 B11R1.17 Cc1ccccc1COCF 7a_100000698903_100015361967 [0,1,0,0,0,0|3,0,0]=4 575 B11R1.17 Cc1ccccc1CSCF 62a_100000211839_100015361967 [0,1,0,0,0,0|3,0,0]=4 576 B11R1.17 Cc1ccccc1CSCF 62a_100015361967_100000211839 [0,1,0,0,0,0|3,0,0]=4 577 B11R1.17 Cc1ccccc1NCCO 34a_100015192222_100000211926 [0,1,0,0,0,0|2,0,1]=4 578 B11R1.17 Cc1ccccc1OCCO 34a_100000210338_100000211926 [0,1,0,0,0,0|2,0,1]=4 579 B11R1.17 Cc1ccccc1OCCO 7a_100000210338_100000211926 [0,1,0,0,0,0|2,0,1]=4 580 B11R1.17 Cc1ccccc1SCCO 62a_100000210755_100000211926 [0,1,0,0,0,0|2,0,1]=4 581 B11R1.17 Cc1ccccc1SCCO 62a_100000211926_100000210755 [0,1,0,0,0,0|2,0,1]=4 582 B11R1.17 FCNCc1ccccc1Br 34a_100000689332_100015361967 [0,1,0,0,0,0|3,0,0]=4 583 B11R1.17 FCNCc1ccccc1Cl 34a_100000174879_100015361967 [0,1,0,0,0,0|3,0,0]=4 584 B11R1.17 FCNCc1ccccc1F 34a_100000174869_100015361967 [0,1,0,0,0,0|3,0,0]=4 585 B11R1.17 FCOCc1ccccc1Br 34a_100000756307_100015361967 [0,1,0,0,0,0|3,0,0]=4 586 B11R1.17 FCOCc1ccccc1Br 7a_100000756307_100015361967 [0,1,0,0,0,0|3,0,0]=4 587 B11R1.17 FCOCc1ccccc1Cl 34a_100000210847_100015361967 [0,1,0,0,0,0|3,0,0]=4 588 B11R1.17 FCOCc1ccccc1Cl 7a_100000210847_100015361967 [0,1,0,0,0,0|3,0,0]=4 589 B11R1.17 FCOCc1ccccc1F 34a_100000211962_100015361967 [0,1,0,0,0,0|3,0,0]=4 590 B11R1.17 FCOCc1ccccc1F 7a_100000211962_100015361967 [0,1,0,0,0,0|3,0,0]=4 591 B11R1.17 FCOCc1ccccc1I 34a_100000187465_100015361967 [0,1,0,0,0,0|3,0,0]=4 592 B11R1.17 FCOCc1ccccc1I 7a_100000187465_100015361967 [0,1,0,0,0,0|3,0,0]=4 593 B11R1.17 FCSCc1ccccc1Br 62a_100000184730_100015361967 [0,1,0,0,0,0|3,0,0]=4 594 B11R1.17 FCSCc1ccccc1Br 62a_100015361967_100000184730 [0,1,0,0,0,0|3,0,0]=4 595 B11R1.17 FCSCc1ccccc1Cl 62a_100000187162_100015361967 [0,1,0,0,0,0|3,0,0]=4 596 B11R1.17 FCSCc1ccccc1Cl 62a_100015361967_100000187162 [0,1,0,0,0,0|3,0,0]=4 597 B11R1.17 FCSCc1ccccc1F 62a_100000211605_100015361967 [0,1,0,0,0,0|3,0,0]=4 598 B11R1.17 FCSCc1ccccc1F 62a_100015361967_100000211605 [0,1,0,0,0,0|3,0,0]=4 599 B11R1.17 FCSCc1ccccc1I 62a_100011216222_100015361967 [0,1,0,0,0,0|3,0,0]=4 600 B11R1.17 FCSCc1ccccc1I 62a_100015361967_100011216222 [0,1,0,0,0,0|3,0,0]=4 601 B11R1.17 N#CSCc1ccccc1O 271570a_203496583355_200010199460 [0,1,0,0,0,0|3,0,0]=4 602 B11R1.17 Nc1ccccc1COCF 34a_100000212039_100015361967 [0,1,0,0,0,0|3,0,0]=4 603 B11R1.17 Nc1ccccc1OCCO 34a_100000185747_100000211926 [0,1,0,0,0,0|2,0,1]=4 604 B11R1.17 Nc1ccccc1OCCO 7a_100000185747_100000211926 [0,1,0,0,0,0|2,0,1]=4 605 B11R1.17 Nc1ccccc1SCCO 62a_100000210017_100000211926 [0,1,0,0,0,0|2,0,1]=4 606 B11R1.17 Nc1ccccc1SCCO 62a_100000211926_100000210017 [0,1,0,0,0,0|2,0,1]=4 607 B11R1.17 O=CCCc1ccccc1O 271570a_203496583355_100011713448 [0,1,0,0,0,0|1,0,2]=4 608 B11R1.17 OCC#Cc1ccccc1O 271570a_203496583355_100009814404 [0,1,0,0,0,0|1,0,2]=4 609 B11R1.17 OCCCc1ccccc1O 271570a_203496583355_100000699526 [0,1,0,0,0,0|1,0,1]=3 610 B11R1.17 OCCNc1ccccc1Br 34a_100000210017_100000211926 [0,1,0,0,0,0|2,0,1]=4 611 B11R1.17 OCCNc1ccccc1Cl 34a_100000185783_100000211926 [0,1,0,0,0,0|2,0,1]=4 612 B11R1.17 OCCNc1ccccc1F 34a_100000210422_100000211926 [0,1,0,0,0,0|2,0,1]=4 613 B11R1.17 OCCNc1ccccc1I 34a_100000210053_100000211926 [0,1,0,0,0,0|2,0,1]=4 614 B11R1.17 OCCNc1ccccc1O 34a_100000185747_100000211926 [0,1,0,0,0,0|2,0,1]=4 615 B11R1.17 OCCOc1ccccc1Br 34a_100000181306_100000211926 [0,1,0,0,0,0|2,0,1]=4 616 B11R1.17 OCCOc1ccccc1Br 7a_100000181306_100000211926 [0,1,0,0,0,0|2,0,1]=4 617 B11R1.17 OCCOc1ccccc1Cl 34a_100000210172_100000211926 [0,1,0,0,0,0|2,0,1]=4 618 B11R1.17 OCCOc1ccccc1Cl 7a_100000210172_100000211926 [0,1,0,0,0,0|2,0,1]=4 619 B11R1.17 OCCOc1ccccc1F 34a_100000210171_100000211926 [0,1,0,0,0,0|2,0,1]=4 620 B11R1.17 OCCOc1ccccc1F 7a_100000210171_100000211926 [0,1,0,0,0,0|2,0,1]=4 621 B11R1.17 OCCOc1ccccc1I 34a_100000739446_100000211926 [0,1,0,0,0,0|2,0,1]=4 622 B11R1.17 OCCOc1ccccc1I 7a_100000739446_100000211926 [0,1,0,0,0,0|2,0,1]=4 623 B11R1.17 OCCOc1ccccc1O 271570a_203496583355_100000230753 [0,1,0,0,0,0|2,0,1]=4 624 B11R1.17 OCCSc1ccccc1Br 62a_100000211926_100000695589 [0,1,0,0,0,0|2,0,1]=4 625 B11R1.17 OCCSc1ccccc1Br 62a_100000695589_100000211926 [0,1,0,0,0,0|2,0,1]=4 626 B11R1.17 OCCSc1ccccc1Cl 62a_100000211926_100000764095 [0,1,0,0,0,0|2,0,1]=4 627 B11R1.17 OCCSc1ccccc1Cl 62a_100000764095_100000211926 [0,1,0,0,0,0|2,0,1]=4 628 B11R1.17 OCCSc1ccccc1F 62a_100000211926_100011215700 [0,1,0,0,0,0|2,0,1]=4 629 B11R1.17 OCCSc1ccccc1F 62a_100011215700_100000211926 [0,1,0,0,0,0|2,0,1]=4 630 B11R1.17 OCCSc1ccccc1O 271570a_203496583355_200000230852 [0,1,0,0,0,0|2,0,1]=4 631 B11R1.17 OCCSc1ccccc1O 62a_100000211926_100000739446 [0,1,0,0,0,0|2,0,1]=4 632 B11R1.17 OCCSc1ccccc1O 62a_100000739446_100000211926 [0,1,0,0,0,0|2,0,1]=4 633 B11R1.17 Oc1ccccc1CNCF 34a_100000185550_100015361967 [0,1,0,0,0,0|3,0,0]=4 634 B11R1.17 [13CH3]NCCc1ccccc1Br 2230a_100000747383_200025704644 [0,1,0,0,0,0|1,0,2]=4 635 B11R1.17 [13CH3]NCCc1ccccc1Br 34a_100000747383_200025704644 [0,1,0,0,0,0|1,0,2]=4 636 B11R1.17 [13CH3]NCCc1ccccc1Cl 2230a_100011207228_200025704644 [0,1,0,0,0,0|1,0,2]=4 637 B11R1.17 [13CH3]NCCc1ccccc1Cl 34a_100011207228_200025704644 [0,1,0,0,0,0|1,0,2]=4 638 B11R1.17 [13CH3]NCCc1ccccc1F 2230a_100000185272_200025704644 [0,1,0,0,0,0|1,0,2]=4 639 B11R1.17 [13CH3]NCCc1ccccc1F 34a_100000185272_200025704644 [0,1,0,0,0,0|1,0,2]=4 640 B11R1.17 [13CH3]NCCc1ccccc1O 34a_100011207237_200025704644 [0,1,0,0,0,0|1,0,2]=4 641 B11R1.17 [13CH3]OCCc1ccccc1Br 34a_100000731337_200025704644 [0,1,0,0,0,0|2,0,1]=4 642 B11R1.17 [13CH3]OCCc1ccccc1Br 7a_100000731337_200025704644 [0,1,0,0,0,0|2,0,1]=4 643 B11R1.17 [13CH3]OCCc1ccccc1Cl 34a_100011215284_200025704644 [0,1,0,0,0,0|2,0,1]=4 644 B11R1.17 [13CH3]OCCc1ccccc1Cl 7a_100011215284_200025704644 [0,1,0,0,0,0|2,0,1]=4 645 B11R1.17 [13CH3]OCCc1ccccc1F 34a_100000753711_200025704644 [0,1,0,0,0,0|2,0,1]=4 646 B11R1.17 [13CH3]OCCc1ccccc1F 7a_100000753711_200025704644 [0,1,0,0,0,0|2,0,1]=4 647 B11R1.17 [13CH3]OCCc1ccccc1I 34a_100010255290_200025704644 [0,1,0,0,0,0|2,0,1]=4 648 B11R1.17 [13CH3]OCCc1ccccc1I 7a_100010255290_200025704644 [0,1,0,0,0,0|2,0,1]=4 649 B11R1.17 [13CH3]OCCc1ccccc1N 34a_100011215289_200025704644 [0,1,0,0,0,0|2,0,1]=4 650 B11R1.17 [13CH3]SCCc1ccccc1Br 62a_100012161201_200025704644 [0,1,0,0,0,0|2,0,1]=4 651 B11R1.17 [13CH3]SCCc1ccccc1Br 62a_200025704644_100012161201 [0,1,0,0,0,0|2,0,1]=4 652 B11R1.17 [13CH3]SCCc1ccccc1Cl 62a_100011713703_200025704644 [0,1,0,0,0,0|2,0,1]=4 653 B11R1.17 [13CH3]SCCc1ccccc1Cl 62a_200025704644_100011713703 [0,1,0,0,0,0|2,0,1]=4 654 B11R1.17 [13CH3]SCCc1ccccc1F 62a_100011713696_200025704644 [0,1,0,0,0,0|2,0,1]=4 655 B11R1.17 [13CH3]SCCc1ccccc1F 62a_200025704644_100011713696 [0,1,0,0,0,0|2,0,1]=4 656 B11R1.17 [13CH3]SCCc1ccccc1O 62a_100000722297_200025704644 [0,1,0,0,0,0|2,0,1]=4 657 B11R1.17 [13CH3]SCCc1ccccc1O 62a_200025704644_100000722297 [0,1,0,0,0,0|2,0,1]=4 658 B11R1.24 CCCCc1cccc(c1)Br 271570a_100020621405_100000691529 [0,1,0,0,0,0|2,0,1]=4 659 B11R1.24 CCCCc1cccc(c1)C 271570a_100020621405_100011215228 [0,1,0,0,0,0|2,0,1]=4 660 B11R1.24 CCCCc1cccc(c1)Cl 271570a_100020621405_100000699651 [0,1,0,0,0,0|2,0,1]=4 661 B11R1.24 CCCCc1cccc(c1)F 271570a_100020621405_100000685547 [0,1,0,0,0,0|2,0,1]=4 662 B11R1.24 CCCCc1cccc(c1)N 271570a_100020621405_100000210019 [0,1,0,0,0,0|2,0,1]=4 663 B11R1.24 CCCCc1cccc(c1)O 271570a_100020621405_100000211634 [0,1,0,0,0,0|2,0,1]=4 664 B11R1.24 CCCCc1cccc(c1)O 271570a_203496583355_200010244551 [0,1,0,0,0,0|2,0,1]=4 665 B11R1.24 CCCCc1cccc(c1)[S] 271570a_100020621405_114929384022 [0,1,0,0,0,0|2,0,1]=4 666 B11R1.24 CCNCc1cccc(c1)Br 207a_100015525214_100000210085 [0,1,0,0,0,0|3,0,0]=4 667 B11R1.24 CCNCc1cccc(c1)Br 2230a_100000174977_100000210202 [0,1,0,0,0,0|3,0,0]=4 668 B11R1.24 CCNCc1cccc(c1)Br 2230a_100015525214_100000698116 [0,1,0,0,0,0|3,0,0]=4 669 B11R1.24 CCNCc1cccc(c1)Br 270004a_100015525214_100000210085 [0,1,0,0,0,0|3,0,0]=4 670 B11R1.24 CCNCc1cccc(c1)Br 34a_100000174977_100000210202 [0,1,0,0,0,0|3,0,0]=4 671 B11R1.24 CCNCc1cccc(c1)C 207a_100015525214_100000211157 [0,1,0,0,0,0|3,0,0]=4 672 B11R1.24 CCNCc1cccc(c1)C 2230a_100000185548_100000210202 [0,1,0,0,0,0|3,0,0]=4 673 B11R1.24 CCNCc1cccc(c1)C 2230a_100015525214_100000211840 [0,1,0,0,0,0|3,0,0]=4 674 B11R1.24 CCNCc1cccc(c1)C 270004a_100015525214_100000211157 [0,1,0,0,0,0|3,0,0]=4 675 B11R1.24 CCNCc1cccc(c1)C 34a_100000185548_100000210202 [0,1,0,0,0,0|3,0,0]=4 676 B11R1.24 CCNCc1cccc(c1)Cl 207a_100015525214_100000210801 [0,1,0,0,0,0|3,0,0]=4 677 B11R1.24 CCNCc1cccc(c1)Cl 2230a_100000174878_100000210202 [0,1,0,0,0,0|3,0,0]=4 678 B11R1.24 CCNCc1cccc(c1)Cl 2230a_100015525214_100000181238 [0,1,0,0,0,0|3,0,0]=4 679 B11R1.24 CCNCc1cccc(c1)Cl 270004a_100015525214_100000210801 [0,1,0,0,0,0|3,0,0]=4 680 B11R1.24 CCNCc1cccc(c1)Cl 34a_100000174878_100000210202 [0,1,0,0,0,0|3,0,0]=4 681 B11R1.24 CCNCc1cccc(c1)F 207a_100015525214_100000210812 [0,1,0,0,0,0|3,0,0]=4 682 B11R1.24 CCNCc1cccc(c1)F 2230a_100000174948_100000210202 [0,1,0,0,0,0|3,0,0]=4 683 B11R1.24 CCNCc1cccc(c1)F 2230a_100015525214_100000230114 [0,1,0,0,0,0|3,0,0]=4 684 B11R1.24 CCNCc1cccc(c1)F 270004a_100015525214_100000210812 [0,1,0,0,0,0|3,0,0]=4 685 B11R1.24 CCNCc1cccc(c1)F 34a_100000174948_100000210202 [0,1,0,0,0,0|3,0,0]=4 686 B11R1.24 CCNCc1cccc(c1)I 207a_100015525214_100000014684 [0,1,0,0,0,0|3,0,0]=4 687 B11R1.24 CCNCc1cccc(c1)I 2230a_100000106179_100000210202 [0,1,0,0,0,0|3,0,0]=4 688 B11R1.24 CCNCc1cccc(c1)I 2230a_100015525214_100011218688 [0,1,0,0,0,0|3,0,0]=4 689 B11R1.24 CCNCc1cccc(c1)I 270004a_100015525214_100000014684 [0,1,0,0,0,0|3,0,0]=4 690 B11R1.24 CCNCc1cccc(c1)I 34a_100000106179_100000210202 [0,1,0,0,0,0|3,0,0]=4 691 B11R1.24 CCNCc1cccc(c1)O 207a_100015525214_100000188321 [0,1,0,0,0,0|3,0,0]=4 692 B11R1.24 CCNCc1cccc(c1)O 2230a_100000743036_100000210202 [0,1,0,0,0,0|3,0,0]=4 693 B11R1.24 CCNCc1cccc(c1)O 2230a_100015525214_100011660834 [0,1,0,0,0,0|3,0,0]=4 694 B11R1.24 CCNCc1cccc(c1)O 270004a_100015525214_100000188321 [0,1,0,0,0,0|3,0,0]=4 695 B11R1.24 CCNCc1cccc(c1)O 271570a_203496583355_100000187426 [0,1,0,0,0,0|3,0,0]=4 696 B11R1.24 CCNCc1cccc(c1)O 34a_100000743036_100000210202 [0,1,0,0,0,0|3,0,0]=4 697 B11R1.24 CCOCc1cccc(c1)Br 34a_100000687537_100000210202 [0,1,0,0,0,0|3,0,0]=4 698 B11R1.24 CCOCc1cccc(c1)Br 34a_100121572206_100000698116 [0,1,0,0,0,0|3,0,0]=4 699 B11R1.24 CCOCc1cccc(c1)Br 7a_100000687537_100000210202 [0,1,0,0,0,0|3,0,0]=4 700 B11R1.24 CCOCc1cccc(c1)C 34a_100011217746_100000210202 [0,1,0,0,0,0|3,0,0]=4 701 B11R1.24 CCOCc1cccc(c1)C 34a_100121572206_100000211840 [0,1,0,0,0,0|3,0,0]=4 702 B11R1.24 CCOCc1cccc(c1)C 7a_100011217746_100000210202 [0,1,0,0,0,0|3,0,0]=4 703 B11R1.24 CCOCc1cccc(c1)Cl 34a_100000241301_100000210202 [0,1,0,0,0,0|3,0,0]=4 704 B11R1.24 CCOCc1cccc(c1)Cl 34a_100121572206_100000187163 [0,1,0,0,0,0|3,0,0]=4 705 B11R1.24 CCOCc1cccc(c1)Cl 7a_100000241301_100000210202 [0,1,0,0,0,0|3,0,0]=4 706 B11R1.24 CCOCc1cccc(c1)F 34a_100000210976_100000210202 [0,1,0,0,0,0|3,0,0]=4 707 B11R1.24 CCOCc1cccc(c1)F 34a_100121572206_100000187166 [0,1,0,0,0,0|3,0,0]=4 708 B11R1.24 CCOCc1cccc(c1)F 7a_100000210976_100000210202 [0,1,0,0,0,0|3,0,0]=4 709 B11R1.24 CCOCc1cccc(c1)I 34a_100011215336_100000210202 [0,1,0,0,0,0|3,0,0]=4 710 B11R1.24 CCOCc1cccc(c1)I 34a_100121572206_100011218688 [0,1,0,0,0,0|3,0,0]=4 711 B11R1.24 CCOCc1cccc(c1)I 7a_100011215336_100000210202 [0,1,0,0,0,0|3,0,0]=4 712 B11R1.24 CCOCc1cccc(c1)N 34a_100000211919_100000210202 [0,1,0,0,0,0|3,0,0]=4 713 B11R1.24 CCOCc1cccc(c1)O 271570a_203496583355_100011493694 [0,1,0,0,0,0|3,0,0]=4 714 B11R1.24 CCOCc1cccc(c1)O 34a_100121572206_100011660834 [0,1,0,0,0,0|3,0,0]=4 715 B11R1.24 CCSCc1cccc(c1)Br 62a_100000210202_100000211773 [0,1,0,0,0,0|3,0,0]=4 716 B11R1.24 CCSCc1cccc(c1)Br 62a_100000211773_100000210202 [0,1,0,0,0,0|3,0,0]=4 717 B11R1.24 CCSCc1cccc(c1)C 62a_100000210202_100000211840 [0,1,0,0,0,0|3,0,0]=4 718 B11R1.24 CCSCc1cccc(c1)C 62a_100000211840_100000210202 [0,1,0,0,0,0|3,0,0]=4 719 B11R1.24 CCSCc1cccc(c1)Cl 62a_100000187163_100000210202 [0,1,0,0,0,0|3,0,0]=4 720 B11R1.24 CCSCc1cccc(c1)Cl 62a_100000210202_100000187163 [0,1,0,0,0,0|3,0,0]=4 721 B11R1.24 CCSCc1cccc(c1)F 62a_100000210202_100000230114 [0,1,0,0,0,0|3,0,0]=4 722 B11R1.24 CCSCc1cccc(c1)F 62a_100000230114_100000210202 [0,1,0,0,0,0|3,0,0]=4 723 B11R1.24 CCSCc1cccc(c1)I 62a_100000210202_100011218688 [0,1,0,0,0,0|3,0,0]=4 724 B11R1.24 CCSCc1cccc(c1)I 62a_100011218688_100000210202 [0,1,0,0,0,0|3,0,0]=4 725 B11R1.24 CCSCc1cccc(c1)O 62a_100000210202_100011660834 [0,1,0,0,0,0|3,0,0]=4 726 B11R1.24 CCSCc1cccc(c1)O 62a_100011660834_100000210202 [0,1,0,0,0,0|3,0,0]=4 727 B11R1.24 CNCCc1cccc(c1)Br 2230a_100011207229_200000210301 [0,1,0,0,0,0|1,0,2]=4 728 B11R1.24 CNCCc1cccc(c1)Br 2230a_106832991635_100011740638 [0,1,0,0,0,0|1,0,2]=4 729 B11R1.24 CNCCc1cccc(c1)Br 34a_100011207229_200000210301 [0,1,0,0,0,0|1,0,2]=4 730 B11R1.24 CNCCc1cccc(c1)Br 34a_100102657272_100011740638 [0,1,0,0,0,0|1,0,2]=4 731 B11R1.24 CNCCc1cccc(c1)Br 7a_106832991635_100011740638 [0,1,0,0,0,0|1,0,2]=4 732 B11R1.24 CNCCc1cccc(c1)C 2230a_100000749837_200000210301 [0,1,0,0,0,0|1,0,2]=4 733 B11R1.24 CNCCc1cccc(c1)C 2230a_106832991635_100011713685 [0,1,0,0,0,0|1,0,2]=4 734 B11R1.24 CNCCc1cccc(c1)C 34a_100000749837_200000210301 [0,1,0,0,0,0|1,0,2]=4 735 B11R1.24 CNCCc1cccc(c1)C 34a_100102657272_100011713685 [0,1,0,0,0,0|1,0,2]=4 736 B11R1.24 CNCCc1cccc(c1)C 7a_106832991635_100011713685 [0,1,0,0,0,0|1,0,2]=4 737 B11R1.24 CNCCc1cccc(c1)Cl 2230a_100000185263_200000210301 [0,1,0,0,0,0|1,0,2]=4 738 B11R1.24 CNCCc1cccc(c1)Cl 2230a_106832991635_100011713710 [0,1,0,0,0,0|1,0,2]=4 739 B11R1.24 CNCCc1cccc(c1)Cl 34a_100000185263_200000210301 [0,1,0,0,0,0|1,0,2]=4 740 B11R1.24 CNCCc1cccc(c1)Cl 34a_100102657272_100011713710 [0,1,0,0,0,0|1,0,2]=4 741 B11R1.24 CNCCc1cccc(c1)Cl 7a_106832991635_100011713710 [0,1,0,0,0,0|1,0,2]=4 742 B11R1.24 CNCCc1cccc(c1)F 2230a_100000205154_200000210301 [0,1,0,0,0,0|1,0,2]=4 743 B11R1.24 CNCCc1cccc(c1)F 2230a_106832991635_100011217235 [0,1,0,0,0,0|1,0,2]=4 744 B11R1.24 CNCCc1cccc(c1)F 34a_100000205154_200000210301 [0,1,0,0,0,0|1,0,2]=4 745 B11R1.24 CNCCc1cccc(c1)F 34a_100102657272_100011217235 [0,1,0,0,0,0|1,0,2]=4 746 B11R1.24 CNCCc1cccc(c1)F 7a_106832991635_100011217235 [0,1,0,0,0,0|1,0,2]=4 747 B11R1.24 CNCCc1cccc(c1)O 2230a_100000747277_200000210301 [0,1,0,0,0,0|1,0,2]=4 748 B11R1.24 CNCCc1cccc(c1)O 34a_100000747277_200000210301 [0,1,0,0,0,0|1,0,2]=4 749 B11R1.24 COCCc1cccc(c1)Br 34a_100011217444_200000210301 [0,1,0,0,0,0|2,0,1]=4 750 B11R1.24 COCCc1cccc(c1)Br 34a_100138415774_100011740638 [0,1,0,0,0,0|2,0,1]=4 751 B11R1.24 COCCc1cccc(c1)Br 7a_100011217444_200000210301 [0,1,0,0,0,0|2,0,1]=4 752 B11R1.24 COCCc1cccc(c1)C 34a_100011217157_200000210301 [0,1,0,0,0,0|2,0,1]=4 753 B11R1.24 COCCc1cccc(c1)C 34a_100138415774_100011713685 [0,1,0,0,0,0|2,0,1]=4 754 B11R1.24 COCCc1cccc(c1)C 7a_100011217157_200000210301 [0,1,0,0,0,0|2,0,1]=4 755 B11R1.24 COCCc1cccc(c1)Cl 34a_100000754733_200000210301 [0,1,0,0,0,0|2,0,1]=4 756 B11R1.24 COCCc1cccc(c1)Cl 34a_100138415774_100011713710 [0,1,0,0,0,0|2,0,1]=4 757 B11R1.24 COCCc1cccc(c1)Cl 7a_100000754733_200000210301 [0,1,0,0,0,0|2,0,1]=4 758 B11R1.24 COCCc1cccc(c1)F 34a_100000763591_200000210301 [0,1,0,0,0,0|2,0,1]=4 759 B11R1.24 COCCc1cccc(c1)F 34a_100138415774_100011217235 [0,1,0,0,0,0|2,0,1]=4 760 B11R1.24 COCCc1cccc(c1)F 7a_100000763591_200000210301 [0,1,0,0,0,0|2,0,1]=4 761 B11R1.24 COCCc1cccc(c1)N 34a_100011996697_200000210301 [0,1,0,0,0,0|2,0,1]=4 762 B11R1.24 CSCCc1cccc(c1)Br 62a_100011740638_200000210301 [0,1,0,0,0,0|2,0,1]=4 763 B11R1.24 CSCCc1cccc(c1)Br 62a_200000210301_100011740638 [0,1,0,0,0,0|2,0,1]=4 764 B11R1.24 CSCCc1cccc(c1)C 62a_100011713685_200000210301 [0,1,0,0,0,0|2,0,1]=4 765 B11R1.24 CSCCc1cccc(c1)C 62a_200000210301_100011713685 [0,1,0,0,0,0|2,0,1]=4 766 B11R1.24 CSCCc1cccc(c1)Cl 62a_100011713710_200000210301 [0,1,0,0,0,0|2,0,1]=4 767 B11R1.24 CSCCc1cccc(c1)Cl 62a_200000210301_100011713710 [0,1,0,0,0,0|2,0,1]=4 768 B11R1.24 CSCCc1cccc(c1)F 62a_100011217235_200000210301 [0,1,0,0,0,0|2,0,1]=4 769 B11R1.24 CSCCc1cccc(c1)F 62a_200000210301_100011217235 [0,1,0,0,0,0|2,0,1]=4 770 B11R1.24 Cc1cccc(c1)CCN[13CH3] 2230a_100000749837_200025704644 [0,1,0,0,0,0|1,0,2]=4 771 B11R1.24 Cc1cccc(c1)CCN[13CH3] 34a_100000749837_200025704644 [0,1,0,0,0,0|1,0,2]=4 772 B11R1.24 Cc1cccc(c1)CCO[13CH3] 34a_100011217157_200025704644 [0,1,0,0,0,0|2,0,1]=4 773 B11R1.24 Cc1cccc(c1)CCO[13CH3] 7a_100011217157_200025704644 [0,1,0,0,0,0|2,0,1]=4 774 B11R1.24 Cc1cccc(c1)CCS[13CH3] 62a_100011713685_200025704644 [0,1,0,0,0,0|2,0,1]=4 775 B11R1.24 Cc1cccc(c1)CCS[13CH3] 62a_200025704644_100011713685 [0,1,0,0,0,0|2,0,1]=4 776 B11R1.24 Cc1cccc(c1)CNCF 34a_100000185548_100015361967 [0,1,0,0,0,0|3,0,0]=4 777 B11R1.24 Cc1cccc(c1)COCF 34a_100011217746_100015361967 [0,1,0,0,0,0|3,0,0]=4 778 B11R1.24 Cc1cccc(c1)COCF 7a_100011217746_100015361967 [0,1,0,0,0,0|3,0,0]=4 779 B11R1.24 Cc1cccc(c1)CSCF 62a_100000211840_100015361967 [0,1,0,0,0,0|3,0,0]=4 780 B11R1.24 Cc1cccc(c1)CSCF 62a_100015361967_100000211840 [0,1,0,0,0,0|3,0,0]=4 781 B11R1.24 Cc1cccc(c1)NCCO 2230a_100000188690_100000211926 [0,1,0,0,0,0|2,0,1]=4 782 B11R1.24 Cc1cccc(c1)NCCO 34a_100000188690_100000211926 [0,1,0,0,0,0|2,0,1]=4 783 B11R1.24 Cc1cccc(c1)OCCO 34a_100000210337_100000211926 [0,1,0,0,0,0|2,0,1]=4 784 B11R1.24 Cc1cccc(c1)OCCO 7a_100000210337_100000211926 [0,1,0,0,0,0|2,0,1]=4 785 B11R1.24 Cc1cccc(c1)SCCO 62a_100000211926_100011215228 [0,1,0,0,0,0|2,0,1]=4 786 B11R1.24 Cc1cccc(c1)SCCO 62a_100011215228_100000211926 [0,1,0,0,0,0|2,0,1]=4 787 B11R1.24 FCNCc1cccc(c1)Br 34a_100000174977_100015361967 [0,1,0,0,0,0|3,0,0]=4 788 B11R1.24 FCNCc1cccc(c1)Cl 34a_100000174878_100015361967 [0,1,0,0,0,0|3,0,0]=4 789 B11R1.24 FCNCc1cccc(c1)F 34a_100000174948_100015361967 [0,1,0,0,0,0|3,0,0]=4 790 B11R1.24 FCNCc1cccc(c1)I 34a_100000106179_100015361967 [0,1,0,0,0,0|3,0,0]=4 791 B11R1.24 FCOCc1cccc(c1)Br 34a_100000687537_100015361967 [0,1,0,0,0,0|3,0,0]=4 792 B11R1.24 FCOCc1cccc(c1)Br 7a_100000687537_100015361967 [0,1,0,0,0,0|3,0,0]=4 793 B11R1.24 FCOCc1cccc(c1)Cl 34a_100000241301_100015361967 [0,1,0,0,0,0|3,0,0]=4 794 B11R1.24 FCOCc1cccc(c1)Cl 7a_100000241301_100015361967 [0,1,0,0,0,0|3,0,0]=4 795 B11R1.24 FCOCc1cccc(c1)F 34a_100000210976_100015361967 [0,1,0,0,0,0|3,0,0]=4 796 B11R1.24 FCOCc1cccc(c1)F 7a_100000210976_100015361967 [0,1,0,0,0,0|3,0,0]=4 797 B11R1.24 FCOCc1cccc(c1)I 34a_100011215336_100015361967 [0,1,0,0,0,0|3,0,0]=4 798 B11R1.24 FCOCc1cccc(c1)I 7a_100011215336_100015361967 [0,1,0,0,0,0|3,0,0]=4 799 B11R1.24 FCSCc1cccc(c1)Br 62a_100000211773_100015361967 [0,1,0,0,0,0|3,0,0]=4 800 B11R1.24 FCSCc1cccc(c1)Br 62a_100015361967_100000211773 [0,1,0,0,0,0|3,0,0]=4 801 B11R1.24 FCSCc1cccc(c1)Cl 62a_100000187163_100015361967 [0,1,0,0,0,0|3,0,0]=4 802 B11R1.24 FCSCc1cccc(c1)Cl 62a_100015361967_100000187163 [0,1,0,0,0,0|3,0,0]=4 803 B11R1.24 FCSCc1cccc(c1)F 62a_100000230114_100015361967 [0,1,0,0,0,0|3,0,0]=4 804 B11R1.24 FCSCc1cccc(c1)F 62a_100015361967_100000230114 [0,1,0,0,0,0|3,0,0]=4 805 B11R1.24 FCSCc1cccc(c1)I 62a_100011218688_100015361967 [0,1,0,0,0,0|3,0,0]=4 806 B11R1.24 FCSCc1cccc(c1)I 62a_100015361967_100011218688 [0,1,0,0,0,0|3,0,0]=4 807 B11R1.24 N#CCCc1cccc(c1)O 271570a_203496583355_100011219771 [0,1,0,0,0,0|2,0,1]=4 808 B11R1.24 N#CSCc1cccc(c1)O 271570a_203496583355_200010199461 [0,1,0,0,0,0|3,0,0]=4 809 B11R1.24 NCCCc1cccc(c1)O 271570a_203496583355_100000753791 [0,1,0,0,0,0|2,0,1]=4 810 B11R1.24 Nc1cccc(c1)COCF 34a_100000211919_100015361967 [0,1,0,0,0,0|3,0,0]=4 811 B11R1.24 Nc1cccc(c1)OCCO 34a_100000210217_100000211926 [0,1,0,0,0,0|2,0,1]=4 812 B11R1.24 Nc1cccc(c1)SCCO 62a_100000210019_100000211926 [0,1,0,0,0,0|2,0,1]=4 813 B11R1.24 Nc1cccc(c1)SCCO 62a_100000211926_100000210019 [0,1,0,0,0,0|2,0,1]=4 814 B11R1.24 OCC#Cc1cccc(c1)O 271570a_203496583355_100009814051 [0,1,0,0,0,0|1,0,2]=4 815 B11R1.24 OCCCc1cccc(c1)O 271570a_203496583355_100011709248 [0,1,0,0,0,0|1,0,1]=3 816 B11R1.24 OCCNc1cccc(c1)Br 34a_100000210019_100000211926 [0,1,0,0,0,0|2,0,1]=4 817 B11R1.24 OCCNc1cccc(c1)Cl 34a_100000185859_100000211926 [0,1,0,0,0,0|2,0,1]=4 818 B11R1.24 OCCNc1cccc(c1)F 34a_100000210047_100000211926 [0,1,0,0,0,0|2,0,1]=4 819 B11R1.24 OCCNc1cccc(c1)I 34a_100000211102_100000211926 [0,1,0,0,0,0|2,0,1]=4 820 B11R1.24 OCCNc1cccc(c1)O 34a_100000210217_100000211926 [0,1,0,0,0,0|2,0,1]=4 821 B11R1.24 OCCOc1cccc(c1)Br 34a_100000210342_100000211926 [0,1,0,0,0,0|2,0,1]=4 822 B11R1.24 OCCOc1cccc(c1)Br 7a_100000210342_100000211926 [0,1,0,0,0,0|2,0,1]=4 823 B11R1.24 OCCOc1cccc(c1)Cl 34a_100000210295_100000211926 [0,1,0,0,0,0|2,0,1]=4 824 B11R1.24 OCCOc1cccc(c1)Cl 7a_100000210295_100000211926 [0,1,0,0,0,0|2,0,1]=4 825 B11R1.24 OCCOc1cccc(c1)F 34a_100000210426_100000211926 [0,1,0,0,0,0|2,0,1]=4 826 B11R1.24 OCCOc1cccc(c1)F 7a_100000210426_100000211926 [0,1,0,0,0,0|2,0,1]=4 827 B11R1.24 OCCOc1cccc(c1)I 34a_100000211634_100000211926 [0,1,0,0,0,0|2,0,1]=4 828 B11R1.24 OCCOc1cccc(c1)I 7a_100000211634_100000211926 [0,1,0,0,0,0|2,0,1]=4 829 B11R1.24 OCCOc1cccc(c1)O 271570a_203496583355_100000757546 [0,1,0,0,0,0|2,0,1]=4 830 B11R1.24 OCCSc1cccc(c1)Br 62a_100000211926_100000691529 [0,1,0,0,0,0|2,0,1]=4 831 B11R1.24 OCCSc1cccc(c1)Br 62a_100000691529_100000211926 [0,1,0,0,0,0|2,0,1]=4 832 B11R1.24 OCCSc1cccc(c1)Cl 62a_100000211926_100000699651 [0,1,0,0,0,0|2,0,1]=4 833 B11R1.24 OCCSc1cccc(c1)Cl 62a_100000699651_100000211926 [0,1,0,0,0,0|2,0,1]=4 834 B11R1.24 OCCSc1cccc(c1)F 62a_100000211926_100000685547 [0,1,0,0,0,0|2,0,1]=4 835 B11R1.24 OCCSc1cccc(c1)F 62a_100000685547_100000211926 [0,1,0,0,0,0|2,0,1]=4 836 B11R1.24 OCCSc1cccc(c1)O 271570a_203496583355_200011756134 [0,1,0,0,0,0|2,0,1]=4 837 B11R1.24 OCCSc1cccc(c1)O 62a_100000211926_100000211634 [0,1,0,0,0,0|2,0,1]=4 838 B11R1.24 OCCSc1cccc(c1)[S] 62a_100000211926_114929384022 [0,1,0,0,0,0|2,0,1]=4 839 B11R1.24 OCCSc1cccc(c1)[S] 62a_114929384022_100000211926 [0,1,0,0,0,0|2,0,1]=4 840 B11R1.24 Oc1cccc(c1)CNCF 34a_100000743036_100015361967 [0,1,0,0,0,0|3,0,0]=4 841 B11R1.24 Oc1cccc(c1)CSCF 62a_100011660834_100015361967 [0,1,0,0,0,0|3,0,0]=4 842 B11R1.24 Oc1cccc(c1)CSCF 62a_100015361967_100011660834 [0,1,0,0,0,0|3,0,0]=4 843 B11R1.24 [13CH3]NCCc1cccc(c1)Br 2230a_100011207229_200025704644 [0,1,0,0,0,0|1,0,2]=4 844 B11R1.24 [13CH3]NCCc1cccc(c1)Br 34a_100011207229_200025704644 [0,1,0,0,0,0|1,0,2]=4 845 B11R1.24 [13CH3]NCCc1cccc(c1)Cl 2230a_100000185263_200025704644 [0,1,0,0,0,0|1,0,2]=4 846 B11R1.24 [13CH3]NCCc1cccc(c1)Cl 34a_100000185263_200025704644 [0,1,0,0,0,0|1,0,2]=4 847 B11R1.24 [13CH3]NCCc1cccc(c1)F 2230a_100000205154_200025704644 [0,1,0,0,0,0|1,0,2]=4 848 B11R1.24 [13CH3]NCCc1cccc(c1)F 34a_100000205154_200025704644 [0,1,0,0,0,0|1,0,2]=4 849 B11R1.24 [13CH3]NCCc1cccc(c1)O 2230a_100000747277_200025704644 [0,1,0,0,0,0|1,0,2]=4 850 B11R1.24 [13CH3]NCCc1cccc(c1)O 34a_100000747277_200025704644 [0,1,0,0,0,0|1,0,2]=4 851 B11R1.24 [13CH3]OCCc1cccc(c1)Br 34a_100011217444_200025704644 [0,1,0,0,0,0|2,0,1]=4 852 B11R1.24 [13CH3]OCCc1cccc(c1)Br 7a_100011217444_200025704644 [0,1,0,0,0,0|2,0,1]=4 853 B11R1.24 [13CH3]OCCc1cccc(c1)Cl 34a_100000754733_200025704644 [0,1,0,0,0,0|2,0,1]=4 854 B11R1.24 [13CH3]OCCc1cccc(c1)Cl 7a_100000754733_200025704644 [0,1,0,0,0,0|2,0,1]=4 855 B11R1.24 [13CH3]OCCc1cccc(c1)F 34a_100000763591_200025704644 [0,1,0,0,0,0|2,0,1]=4 856 B11R1.24 [13CH3]OCCc1cccc(c1)F 7a_100000763591_200025704644 [0,1,0,0,0,0|2,0,1]=4 857 B11R1.24 [13CH3]OCCc1cccc(c1)N 34a_100011996697_200025704644 [0,1,0,0,0,0|2,0,1]=4 858 B11R1.24 [13CH3]SCCc1cccc(c1)Br 62a_100011740638_200025704644 [0,1,0,0,0,0|2,0,1]=4 859 B11R1.24 [13CH3]SCCc1cccc(c1)Br 62a_200025704644_100011740638 [0,1,0,0,0,0|2,0,1]=4 860 B11R1.24 [13CH3]SCCc1cccc(c1)Cl 62a_100011713710_200025704644 [0,1,0,0,0,0|2,0,1]=4 861 B11R1.24 [13CH3]SCCc1cccc(c1)Cl 62a_200025704644_100011713710 [0,1,0,0,0,0|2,0,1]=4 862 B11R1.24 [13CH3]SCCc1cccc(c1)F 62a_100011217235_200025704644 [0,1,0,0,0,0|2,0,1]=4 863 B11R1.24 [13CH3]SCCc1cccc(c1)F 62a_200025704644_100011217235 [0,1,0,0,0,0|2,0,1]=4 864 B11R1.28 BrCCOCc1ccccc1 34a_100000211926_100015291786 [0,1,0,0,0,0|2,0,1]=4 865 B11R1.28 C#CCCNc1ccccc1 34a_100000106764_100000688953 [0,1,0,0,0,0|2,0,1]=4 866 B11R1.28 C#CCCOc1ccccc1 34a_100000210340_100000688953 [0,1,0,0,0,0|2,0,1]=4 867 B11R1.28 C#CCCOc1ccccc1 7a_100000210340_100000688953 [0,1,0,0,0,0|2,0,1]=4 868 B11R1.28 C#CCCSc1ccccc1 62a_100000688953_100000041952 [0,1,0,0,0,0|2,0,1]=4 869 B11R1.28 C#CCCSc1ccccc1 62a_100000719477_100000688953 [0,1,0,0,0,0|2,0,1]=4 870 B11R1.28 C#CCNCc1ccccc1 2230a_100015324214_100000038162 [0,1,0,0,0,0|2,0,1]=4 871 B11R1.28 C#CCNCc1ccccc1 34a_100000212058_100015291786 [0,1,0,0,0,0|2,0,1]=4 872 B11R1.28 C#CCNCc1ccccc1 34a_100015324214_100000184674 [0,1,0,0,0,0|2,0,1]=4 873 B11R1.28 C#CCOCc1ccccc1 34a_100000210247_100015291786 [0,1,0,0,0,0|2,0,1]=4 874 B11R1.28 C#CCOCc1ccccc1 34a_100000210790_100000184674 [0,1,0,0,0,0|2,0,1]=4 875 B11R1.28 C#CCOCc1ccccc1 7a_100000210790_100000038162 [0,1,0,0,0,0|2,0,1]=4 876 B11R1.28 C#CCSCc1ccccc1 62a_100000038162_100015291786 [0,1,0,0,0,0|2,0,1]=4 877 B11R1.28 C/C=C/CNc1ccccc1 34a_100000106764_100102629194 [0,1,0,0,0,0|2,0,0]=3 878 B11R1.28 C/C=C/COc1ccccc1 34a_100000210340_100102629194 [0,1,0,0,0,0|2,0,0]=3 879 B11R1.28 C/C=C/COc1ccccc1 7a_100000210340_100102629194 [0,1,0,0,0,0|2,0,0]=3 880 B11R1.28 C/C=C/COc1cccnc1 34a_100000210849_100102629194 [0,1,0,0,0,0|3,0,0]=4 881 B11R1.28 C/C=C/COc1cccnc1 7a_100000210849_100102629194 [0,1,0,0,0,0|3,0,0]=4 882 B11R1.28 C/C=C/COc1ccncc1 34a_100000212176_100102629194 [0,1,0,0,0,0|3,0,0]=4 883 B11R1.28 C/C=C/CSc1ccccc1 62a_100000719477_100102629194 [0,1,0,0,0,0|2,0,0]=3 884 B11R1.28 C/C=C/CSc1ccccc1 62a_100102629194_100000041952 [0,1,0,0,0,0|2,0,0]=3 885 B11R1.28 C/C=C/CSc1ccccn1 62a_100011216584_100102629194 [0,1,0,0,0,0|3,0,0]=4 886 B11R1.28 C/C=C/CSc1ccccn1 62a_100102629194_100011216584 [0,1,0,0,0,0|3,0,0]=4 887 B11R1.28 C/C=C/CSc1cccnc1 62a_100000210063_100102629194 [0,1,0,0,0,0|3,0,0]=4 888 B11R1.28 C/C=C/CSc1cccnc1 62a_100102629194_100000210063 [0,1,0,0,0,0|3,0,0]=4 889 B11R1.28 C/C=C/CSc1ccncc1 62a_100000728582_100102629194 [0,1,0,0,0,0|3,0,0]=4 890 B11R1.28 C/C=C/CSc1ccncc1 62a_100102629194_100000728582 [0,1,0,0,0,0|3,0,0]=4 891 B11R1.28 C=CCCNc1ccccc1 34a_100000106764_100000754431 [0,1,0,0,0,0|2,0,1]=4 892 B11R1.28 C=CCCOc1ccccc1 34a_100000210340_100000754431 [0,1,0,0,0,0|2,0,1]=4 893 B11R1.28 C=CCCOc1ccccc1 7a_100000210340_100000754431 [0,1,0,0,0,0|2,0,1]=4 894 B11R1.28 C=CCCSc1ccccc1 62a_100000719477_100000754431 [0,1,0,0,0,0|2,0,1]=4 895 B11R1.28 C=CCCSc1ccccc1 62a_100000754431_100000041952 [0,1,0,0,0,0|2,0,1]=4 896 B11R1.28 C=CCNCc1ccccc1 2230a_100015324214_100000210623 [0,1,0,0,0,0|2,0,1]=4 897 B11R1.28 C=CCNCc1ccccc1 2230a_100020586998_100015291786 [0,1,0,0,0,0|2,0,1]=4 898 B11R1.28 C=CCNCc1ccccc1 270004a_100020586998_100015611070 [0,1,0,0,0,0|2,0,1]=4 899 B11R1.28 C=CCNCc1ccccc1 34a_100015324214_100015514636 [0,1,0,0,0,0|2,0,1]=4 900 B11R1.28 C=CCOCc1ccccc1 34a_100000210790_100015514636 [0,1,0,0,0,0|2,0,1]=4 901 B11R1.28 C=CCOCc1ccccc1 34a_200000210373_100015291786 [0,1,0,0,0,0|2,0,1]=4 902 B11R1.28 C=CCOCc1ccccc1 7a_100000210790_100015514636 [0,1,0,0,0,0|2,0,1]=4 903 B11R1.28 C=CCSCc1ccccc1 62a_100000210623_100015291786 [0,1,0,0,0,0|2,0,1]=4 904 B11R1.28 C=CCSCc1ccccc1 62a_100000211182_100000210623 [0,1,0,0,0,0|2,0,1]=4 905 B11R1.28 CC#CCNc1ccccc1 34a_100000106764_100000748600 [0,1,0,0,0,0|2,0,1]=4 906 B11R1.28 CC#CCOc1ccccc1 34a_100000210340_100000748600 [0,1,0,0,0,0|2,0,1]=4 907 B11R1.28 CC#CCOc1ccccc1 7a_100000210340_100000748600 [0,1,0,0,0,0|2,0,1]=4 908 B11R1.28 CC#CCSc1ccccc1 62a_100000719477_100000748600 [0,1,0,0,0,0|2,0,1]=4 909 B11R1.28 CC#CCSc1ccccc1 62a_100000748600_100000041952 [0,1,0,0,0,0|2,0,1]=4 910 B11R1.28 CC=CCNc1ccccc1 34a_100000106764_100000070051 [0,1,0,0,0,0|2,0,0]=3 911 B11R1.28 CC=CCOc1ccccc1 34a_100000210340_100000070051 [0,1,0,0,0,0|2,0,0]=3 912 B11R1.28 CC=CCOc1ccccc1 7a_100000210340_100000070051 [0,1,0,0,0,0|2,0,0]=3 913 B11R1.28 CC=CCOc1cccnc1 34a_100000210849_100000070051 [0,1,0,0,0,0|3,0,0]=4 914 B11R1.28 CC=CCOc1cccnc1 7a_100000210849_100000070051 [0,1,0,0,0,0|3,0,0]=4 915 B11R1.28 CC=CCOc1ccncc1 34a_100000212176_100000070051 [0,1,0,0,0,0|3,0,0]=4 916 B11R1.28 CC=CCSc1ccccc1 62a_100000070051_100000041952 [0,1,0,0,0,0|2,0,0]=3 917 B11R1.28 CC=CCSc1ccccc1 62a_100000719477_100000070051 [0,1,0,0,0,0|2,0,0]=3 918 B11R1.28 CC=CCSc1ccccn1 62a_100000070051_100011216584 [0,1,0,0,0,0|3,0,0]=4 919 B11R1.28 CC=CCSc1ccccn1 62a_100011216584_100000070051 [0,1,0,0,0,0|3,0,0]=4 920 B11R1.28 CC=CCSc1cccnc1 62a_100000070051_100000210063 [0,1,0,0,0,0|3,0,0]=4 921 B11R1.28 CC=CCSc1cccnc1 62a_100000210063_100000070051 [0,1,0,0,0,0|3,0,0]=4 922 B11R1.28 CC=CCSc1ccncc1 62a_100000070051_100000728582 [0,1,0,0,0,0|3,0,0]=4 923 B11R1.28 CC=CCSc1ccncc1 62a_100000728582_100000070051 [0,1,0,0,0,0|3,0,0]=4 924 B11R1.28 CC=NNCc1ccccc1 4a_100000007032_200000210099 [0,1,0,0,0,0|2,0,0]=3 925 B11R1.28 CC=NNCc1ccccn1 4a_100000736832_200000210099 [0,1,0,0,0,0|3,0,0]=4 926 B11R1.28 CC=NNCc1cccnc1 4a_100000738295_200000210099 [0,1,0,0,0,0|3,0,0]=4 927 B11R1.28 CC=NNCc1ccncc1 4a_100000736929_200000210099 [0,1,0,0,0,0|3,0,0]=4 928 B11R1.28 CCC=NNc1ccccc1 4a_100015195140_100000210100 [0,1,0,0,0,0|3,0,0]=4 929 B11R1.28 CCCC=Cc1ccccc1 271570a_100016258520_100000210277 [0,1,0,0,0,0|2,0,1]=4 930 B11R1.28 CCCCNc1ccccc1 34a_100000106764_100000210210 [0,1,0,0,0,0|2,0,1]=4 931 B11R1.28 CCCCOc1ccccc1 34a_100000210340_100000210210 [0,1,0,0,0,0|2,0,1]=4 932 B11R1.28 CCCCOc1ccccc1 7a_100000210340_100000210211 [0,1,0,0,0,0|2,0,1]=4 933 B11R1.28 CCCCSc1ccccc1 62a_100000210211_100000041952 [0,1,0,0,0,0|2,0,1]=4 934 B11R1.28 CCCCSc1ccccc1 62a_100000719477_100000210210 [0,1,0,0,0,0|2,0,1]=4 935 B11R1.28 CCCNCc1ccccc1 207a_100020643023_100015611070 [0,1,0,0,0,0|2,0,1]=4 936 B11R1.28 CCCNCc1ccccc1 2230a_100015324214_100000210303 [0,1,0,0,0,0|2,0,1]=4 937 B11R1.28 CCCNCc1ccccc1 270004a_100020643023_100015611070 [0,1,0,0,0,0|2,0,1]=4 938 B11R1.28 CCCNCc1ccccc1 34a_100015324214_100000210303 [0,1,0,0,0,0|2,0,1]=4 939 B11R1.28 CCCOCc1ccccc1 34a_100000210258_100015291786 [0,1,0,0,0,0|2,0,1]=4 940 B11R1.28 CCCOCc1ccccc1 34a_100000210790_100000210303 [0,1,0,0,0,0|2,0,1]=4 941 B11R1.28 CCCOCc1ccccc1 7a_100000210790_100000210303 [0,1,0,0,0,0|2,0,1]=4 942 B11R1.28 CCCSCc1ccccc1 62a_100000210303_100015291786 [0,1,0,0,0,0|2,0,1]=4 943 B11R1.28 CCCSCc1ccccc1 62a_100000211182_100000210303 [0,1,0,0,0,0|2,0,1]=4 944 B11R1.28 CCNCCc1ccccc1 2230a_100000106460_100000210202 [0,1,0,0,0,0|1,0,2]=4 945 B11R1.28 CCNCCc1ccccc1 2230a_100015525214_100000765856 [0,1,0,0,0,0|1,0,2]=4 946 B11R1.28 CCNCCc1ccccc1 34a_100000106460_100000210202 [0,1,0,0,0,0|1,0,2]=4 947 B11R1.28 CCNCSc1ccccc1 2230a_100015525214_100011218342 [0,1,0,0,0,0|3,0,0]=4 948 B11R1.28 CCOC=Cc1ccccc1 271570a_100016256518_100000210277 [0,1,0,0,0,0|2,0,1]=4 949 B11R1.28 CCOCCc1ccccc1 34a_100000210268_100000210202 [0,1,0,0,0,0|2,0,1]=4 950 B11R1.28 CCOCCc1ccccc1 34a_100121572206_100000765856 [0,1,0,0,0,0|2,0,1]=4 951 B11R1.28 CCOCCc1ccccc1 7a_100000210268_100000210202 [0,1,0,0,0,0|2,0,1]=4 952 B11R1.28 CCOCSc1ccccc1 62a_100000719477_100000739092 [0,1,0,0,0,0|3,0,0]=4 953 B11R1.28 CCOCSc1ccccc1 62a_100000739092_100000041952 [0,1,0,0,0,0|3,0,0]=4 954 B11R1.28 CCSCCc1ccccc1 62a_100000210202_100011218657 [0,1,0,0,0,0|2,0,1]=4 955 B11R1.28 CCSCCc1ccccc1 62a_100000765856_100000210202 [0,1,0,0,0,0|2,0,1]=4 956 B11R1.28 CCSCSc1ccccc1 62a_100000210202_100011218342 [0,1,0,0,0,0|3,0,0]=4 957 B11R1.28 CCSCSc1ccccc1 62a_100011218342_100000210202 [0,1,0,0,0,0|3,0,0]=4 958 B11R1.28 CNC/C=C/c1ccccc1 2230a_100020603302_200000210301 [0,1,0,0,0,0|1,0,2]=4 959 B11R1.28 CNC/C=C/c1ccccc1 2230a_106832991635_100016265936 [0,1,0,0,0,0|1,0,2]=4 960 B11R1.28 CNC/C=C/c1ccccc1 34a_100020603302_200000210301 [0,1,0,0,0,0|1,0,2]=4 961 B11R1.28 CNC/C=C/c1ccccc1 34a_100102657272_100016265936 [0,1,0,0,0,0|1,0,2]=4 962 B11R1.28 CNC/C=C/c1ccccc1 7a_106832991635_100016265936 [0,1,0,0,0,0|1,0,2]=4 963 B11R1.28 CNCC=Cc1ccccc1 270004a_106832991635_100000210105 [0,1,0,0,0,0|1,0,2]=4 964 B11R1.28 CNCCCc1ccccc1 2230a_100000211184_200000210301 [0,1,0,0,0,0|1,0,2]=4 965 B11R1.28 CNCCCc1ccccc1 2230a_106832991635_100000211621 [0,1,0,0,0,0|1,0,2]=4 966 B11R1.28 CNCCCc1ccccc1 34a_100000211184_200000210301 [0,1,0,0,0,0|1,0,2]=4 967 B11R1.28 CNCCCc1ccccc1 34a_100102657272_100000211621 [0,1,0,0,0,0|1,0,2]=4 968 B11R1.28 CNCCCc1ccccc1 7a_106832991635_100000211621 [0,1,0,0,0,0|1,0,2]=4 969 B11R1.28 CNCCOc1ccccc1 2230a_100000174943_200000210301 [0,1,0,0,0,0|1,0,2]=4 970 B11R1.28 CNCCOc1ccccc1 2230a_106832991635_100000184471 [0,1,0,0,0,0|1,0,2]=4 971 B11R1.28 CNCCOc1ccccc1 270004a_106832991635_100000758736 [0,1,0,0,0,0|1,0,2]=4 972 B11R1.28 CNCCOc1ccccc1 34a_100000174943_200000210301 [0,1,0,0,0,0|1,0,2]=4 973 B11R1.28 CNCCOc1ccccc1 34a_100102657272_100000184471 [0,1,0,0,0,0|1,0,2]=4 974 B11R1.28 CNCCOc1ccccc1 7a_106832991635_100000184471 [0,1,0,0,0,0|1,0,2]=4 975 B11R1.28 CNCCSc1ccccc1 2230a_100000189519_200000210301 [0,1,0,0,0,0|1,0,2]=4 976 B11R1.28 CNCCSc1ccccc1 2230a_106832991635_100000246102 [0,1,0,0,0,0|1,0,2]=4 977 B11R1.28 CNCCSc1ccccc1 34a_100102657272_100000246102 [0,1,0,0,0,0|1,0,2]=4 978 B11R1.28 CNCCSc1ccccc1 7a_106832991635_100000246102 [0,1,0,0,0,0|1,0,2]=4 979 B11R1.28 CNCOCc1ccccc1 2230a_106832991635_100000763385 [0,1,0,0,0,0|1,0,2]=4 980 B11R1.28 CNCOCc1ccccc1 34a_100102657272_100000763385 [0,1,0,0,0,0|1,0,2]=4 981 B11R1.28 CNCSCc1ccccc1 2230a_106832991635_200011217039 [0,1,0,0,0,0|1,0,2]=4 982 B11R1.28 CNCSCc1ccccc1 34a_100102657272_200011217039 [0,1,0,0,0,0|1,0,2]=4 983 B11R1.28 COC/C=C/c1ccccc1 34a_100000210256_200000210301 [0,1,0,0,0,0|1,0,1]=3 984 B11R1.28 COC/C=C/c1ccccc1 34a_100138415774_100016265936 [0,1,0,0,0,0|1,0,1]=3 985 B11R1.28 COC/C=C/c1cccnc1 34a_200102594124_200000210301 [0,1,0,0,0,0|2,0,1]=4 986 B11R1.28 COCC#Cc1ccccc1 34a_100011217464_200000210301 [0,1,0,0,0,0|1,0,2]=4 987 B11R1.28 COCC#Cc1ccccc1 34a_100138415774_100011352542 [0,1,0,0,0,0|1,0,2]=4 988 B11R1.28 COCC#Cc1ccccc1 7a_100011217464_200000210301 [0,1,0,0,0,0|1,0,2]=4 989 B11R1.28 COCC=Cc1ccccc1 271570a_100016286323_100000210277 [0,1,0,0,0,0|1,0,1]=3 990 B11R1.28 COCC=Cc1ccccn1 271570a_100016286323_100011216584 [0,1,0,0,0,0|2,0,1]=4 991 B11R1.28 COCC=Cc1cccnc1 271570a_100016286323_100000752921 [0,1,0,0,0,0|2,0,1]=4 992 B11R1.28 COCC=Cc1ccncc1 271570a_100016286323_100000035832 [0,1,0,0,0,0|2,0,1]=4 993 B11R1.28 COCCCc1ccccc1 34a_100000210828_200000210301 [0,1,0,0,0,0|1,0,1]=3 994 B11R1.28 COCCCc1ccccc1 34a_100138415774_100000211621 [0,1,0,0,0,0|1,0,1]=3 995 B11R1.28 COCCCc1ccccc1 7a_100000210828_200000210301 [0,1,0,0,0,0|1,0,1]=3 996 B11R1.28 COCCCc1ccccn1 34a_100011215068_200000210301 [0,1,0,0,0,0|2,0,1]=4 997 B11R1.28 COCCCc1cccnc1 34a_100000211284_200000210301 [0,1,0,0,0,0|2,0,1]=4 998 B11R1.28 COCCCc1ccncc1 34a_100000210659_200000210301 [0,1,0,0,0,0|2,0,1]=4 999 B11R1.28 COCCNc1ccccc1 34a_100000106764_100011201679 [0,1,0,0,0,0|2,0,1]=4 1000 B11R1.28 COCCNc1ccccc1 34a_100000211345_200000210301 [0,1,0,0,0,0|2,0,1]=4 1001 B11R1.28 COCCOc1ccccc1 34a_100000210260_200000210301 [0,1,0,0,0,0|2,0,1]=4 1002 B11R1.28 COCCOc1ccccc1 34a_100000210340_100011201679 [0,1,0,0,0,0|2,0,1]=4 1003 B11R1.28 COCCOc1ccccc1 34a_100138415774_100000184471 [0,1,0,0,0,0|2,0,1]=4 1004 B11R1.28 COCCOc1ccccc1 7a_100000210260_200000210301 [0,1,0,0,0,0|2,0,1]=4 1005 B11R1.28 COCCOc1ccccc1 7a_100000210340_100000233755 [0,1,0,0,0,0|2,0,1]=4 1006 B11R1.28 COCCSc1ccccc1 34a_100138415774_100000246102 [0,1,0,0,0,0|2,0,1]=4 1007 B11R1.28 COCCSc1ccccc1 62a_100000233755_100000041952 [0,1,0,0,0,0|2,0,1]=4 1008 B11R1.28 COCCSc1ccccc1 62a_100000719477_100000233755 [0,1,0,0,0,0|2,0,1]=4 1009 B11R1.28 COCCSc1ccccc1 7a_100000230494_200000210301 [0,1,0,0,0,0|2,0,1]=4 1010 B11R1.28 COCNCc1ccccc1 2230a_100015324214_100000766300 [0,1,0,0,0,0|2,0,0]=3 1011 B11R1.28 COCOCc1ccccc1 34a_100138415774_100000763385 [0,1,0,0,0,0|2,0,0]=3 1012 B11R1.28 COCSCc1ccccc1 34a_100138415774_200011217039 [0,1,0,0,0,0|2,0,0]=3 1013 B11R1.28 COCSCc1ccccc1 62a_100000211182_100000766300 [0,1,0,0,0,0|2,0,0]=3 1014 B11R1.28 COCSCc1ccccc1 62a_100000766300_100015291786 [0,1,0,0,0,0|2,0,0]=3 1015 B11R1.28 COCSCc1ccccn1 62a_100000721315_100000766300 [0,1,0,0,0,0|3,0,0]=4 1016 B11R1.28 COCSCc1ccccn1 62a_100000766300_100000721315 [0,1,0,0,0,0|3,0,0]=4 1017 B11R1.28 COCSCc1cccnc1 62a_100000741622_100000766300 [0,1,0,0,0,0|3,0,0]=4 1018 B11R1.28 COCSCc1cccnc1 62a_100000766300_100000741622 [0,1,0,0,0,0|3,0,0]=4 1019 B11R1.28 COCSCc1ccncc1 62a_100000766300_100015193705 [0,1,0,0,0,0|3,0,0]=4 1020 B11R1.28 COCSCc1ccncc1 62a_100015193705_100000766300 [0,1,0,0,0,0|3,0,0]=4 1021 B11R1.28 CSC/C=C/c1ccccc1 62a_100016265936_200000210301 [0,1,0,0,0,0|1,1,1]=4 1022 B11R1.28 CSC/C=C/c1ccccc1 62a_200000210301_100016265936 [0,1,0,0,0,0|1,1,1]=4 1023 B11R1.28 CSCCCc1ccccc1 62a_100000211621_200000210301 [0,1,0,0,0,0|1,1,1]=4 1024 B11R1.28 CSCCCc1ccccc1 62a_200000210301_100000211621 [0,1,0,0,0,0|1,1,1]=4 1025 B11R1.28 CSCCNc1ccccc1 34a_100000106764_100000212216 [0,1,0,0,0,0|2,0,1]=4 1026 B11R1.28 CSCCOc1ccccc1 34a_100000210340_100000212216 [0,1,0,0,0,0|2,0,1]=4 1027 B11R1.28 CSCCOc1ccccc1 62a_100000184471_200000210301 [0,1,0,0,0,0|2,0,1]=4 1028 B11R1.28 CSCCOc1ccccc1 62a_200000210301_100000184471 [0,1,0,0,0,0|2,0,1]=4 1029 B11R1.28 CSCCOc1ccccc1 7a_100000210340_100000212216 [0,1,0,0,0,0|2,0,1]=4 1030 B11R1.28 CSCCSc1ccccc1 62a_100000212216_100000041952 [0,1,0,0,0,0|2,0,1]=4 1031 B11R1.28 CSCCSc1ccccc1 62a_100000246102_200000210301 [0,1,0,0,0,0|2,0,1]=4 1032 B11R1.28 CSCCSc1ccccc1 62a_100000719477_100000751147 [0,1,0,0,0,0|2,0,1]=4 1033 B11R1.28 CSCCSc1ccccc1 62a_200000210301_100000246102 [0,1,0,0,0,0|2,0,1]=4 1034 B11R1.28 CSCNCc1ccccc1 2230a_100015324214_100011218213 [0,1,0,0,0,0|2,0,1]=4 1035 B11R1.28 CSCNCc1ccccc1 34a_100015324214_100011218213 [0,1,0,0,0,0|2,0,1]=4 1036 B11R1.28 CSCOCc1ccccc1 34a_100000210790_100011218213 [0,1,0,0,0,0|2,0,1]=4 1037 B11R1.28 CSCOCc1ccccc1 62a_100000763385_200000210301 [0,1,0,0,0,0|2,0,1]=4 1038 B11R1.28 CSCOCc1ccccc1 62a_200000210301_100000763385 [0,1,0,0,0,0|2,0,1]=4 1039 B11R1.28 CSCSCc1ccccc1 62a_100000211182_100011218213 [0,1,0,0,0,0|2,0,1]=4 1040 B11R1.28 CSCSCc1ccccc1 62a_100011218213_100015291786 [0,1,0,0,0,0|2,0,1]=4 1041 B11R1.28 CSCSCc1ccccc1 62a_200000210301_200011217039 [0,1,0,0,0,0|2,0,1]=4 1042 B11R1.28 CSCSCc1ccccc1 62a_200011217039_200000210301 [0,1,0,0,0,0|2,0,1]=4 1043 B11R1.28 FCCCNc1ccccc1 34a_100000106764_100011934791 [0,1,0,0,0,0|2,0,1]=4 1044 B11R1.28 FCCCOc1ccccc1 34a_100000210340_100011934791 [0,1,0,0,0,0|2,0,1]=4 1045 B11R1.28 FCCCOc1ccccc1 7a_100000210340_100011934791 [0,1,0,0,0,0|2,0,1]=4 1046 B11R1.28 FCCCSc1ccccc1 62a_100000719477_100011934791 [0,1,0,0,0,0|2,0,1]=4 1047 B11R1.28 FCCCSc1ccccc1 62a_100011934791_100000041952 [0,1,0,0,0,0|2,0,1]=4 1048 B11R1.28 FCCNCc1ccccc1 2230a_100015324214_100011217306 [0,1,0,0,0,0|2,0,1]=4 1049 B11R1.28 FCCNCc1ccccc1 34a_100000724931_100015291786 [0,1,0,0,0,0|2,0,1]=4 1050 B11R1.28 FCCNCc1ccccc1 34a_100015324214_100011217306 [0,1,0,0,0,0|2,0,1]=4 1051 B11R1.28 FCCOCc1ccccc1 34a_100000210790_100011217306 [0,1,0,0,0,0|2,0,1]=4 1052 B11R1.28 FCCOCc1ccccc1 7a_100000210790_100011217306 [0,1,0,0,0,0|2,0,1]=4 1053 B11R1.28 FCCSCc1ccccc1 62a_100000211182_100011217306 [0,1,0,0,0,0|2,0,1]=4 1054 B11R1.28 FCCSCc1ccccc1 62a_100011217306_100015291786 [0,1,0,0,0,0|2,0,1]=4 1055 B11R1.28 FCNCCc1ccccc1 34a_100000106460_100015361967 [0,1,0,0,0,0|1,0,2]=4 1056 B11R1.28 FCOCCc1ccccc1 34a_100000210268_100015361967 [0,1,0,0,0,0|2,0,1]=4 1057 B11R1.28 FCOCCc1ccccc1 7a_100000210268_100015361967 [0,1,0,0,0,0|2,0,1]=4 1058 B11R1.28 FCSCCc1ccccc1 62a_100000765856_100015361967 [0,1,0,0,0,0|2,0,1]=4 1059 B11R1.28 FCSCCc1ccccc1 62a_100015361967_100011218657 [0,1,0,0,0,0|2,0,1]=4 1060 B11R1.28 FCSCSc1ccccc1 62a_100011218342_100015361967 [0,1,0,0,0,0|3,0,0]=4 1061 B11R1.28 FCSCSc1ccccc1 62a_100015361967_100011218342 [0,1,0,0,0,0|3,0,0]=4 1062 B11R1.28 N#CCCOc1ccccc1 7a_100000210340_100000184422 [0,1,0,0,0,0|2,0,1]=4 1063 B11R1.28 N#CCCSc1ccccc1 62a_100000719477_100011215226 [0,1,0,0,0,0|2,0,1]=4 1064 B11R1.28 N#CCCSc1ccccc1 62a_100011215226_100000041952 [0,1,0,0,0,0|2,0,1]=4 1065 B11R1.28 N#CCNCc1ccccc1 2230a_100015324214_100011215382 [0,1,0,0,0,0|2,0,1]=4 1066 B11R1.28 N#CCOCc1ccccc1 7a_100000210790_100011215382 [0,1,0,0,0,0|2,0,1]=4 1067 B11R1.28 N#CCSCc1ccccc1 62a_100000211182_100011215382 [0,1,0,0,0,0|2,0,1]=4 1068 B11R1.28 N#CCSCc1ccccc1 62a_100011215382_100015291786 [0,1,0,0,0,0|2,0,1]=4 1069 B11R1.28 N#CSCSc1ccccc1 62a_100000211825_100000041952 [0,1,0,0,0,0|3,0,0]=4 1070 B11R1.28 N#CSCSc1ccccc1 62a_100000719477_100000211825 [0,1,0,0,0,0|3,0,0]=4 1071 B11R1.28 NCCOCc1ccccc1 34a_100000210304_100015291786 [0,1,0,0,0,0|2,0,1]=4 1072 B11R1.28 O=CCNCc1ccccc1 2230a_100015324214_200015260668 [0,1,0,0,0,0|1,0,2]=4 1073 B11R1.28 O=CCNCc1ccccc1 34a_100015324214_200009817547 [0,1,0,0,0,0|1,0,2]=4 1074 B11R1.28 O=CCOCc1ccccc1 34a_100000210790_200009817547 [0,1,0,0,0,0|1,0,2]=4 1075 B11R1.28 O=CCOCc1ccccc1 7a_100000210790_200015260668 [0,1,0,0,0,0|1,0,2]=4 1076 B11R1.28 O=CCSCc1ccccc1 62a_100000211182_200015260668 [0,1,0,0,0,0|1,0,2]=4 1077 B11R1.28 O=CCSCc1ccccc1 62a_200015260668_100015291786 [0,1,0,0,0,0|1,0,2]=4 1078 B11R1.28 OCCCNc1ccccc1 34a_100000106764_100000230001 [0,1,0,0,0,0|1,0,1]=3 1079 B11R1.28 OCCCOc1ccccc1 34a_100000210340_100000230001 [0,1,0,0,0,0|1,0,1]=3 1080 B11R1.28 OCCCOc1ccccc1 7a_100000210340_100011215043 [0,1,0,0,0,0|1,0,1]=3 1081 B11R1.28 OCCCOc1cccnc1 34a_100000210849_100000230001 [0,1,0,0,0,0|2,0,1]=4 1082 B11R1.28 OCCCOc1cccnc1 7a_100000210849_100011215043 [0,1,0,0,0,0|2,0,1]=4 1083 B11R1.28 OCCCOc1ccncc1 34a_100000212176_100000230001 [0,1,0,0,0,0|2,0,1]=4 1084 B11R1.28 OCCCSc1ccccc1 62a_100000719477_100011215043 [0,1,0,0,0,0|1,0,1]=3 1085 B11R1.28 OCCCSc1ccccc1 62a_100011215043_100000041952 [0,1,0,0,0,0|1,0,1]=3 1086 B11R1.28 OCCCSc1ccccn1 62a_100011215043_100011216584 [0,1,0,0,0,0|2,0,1]=4 1087 B11R1.28 OCCCSc1ccccn1 62a_100011216584_100011215043 [0,1,0,0,0,0|2,0,1]=4 1088 B11R1.28 OCCCSc1cccnc1 62a_100000210063_100011215043 [0,1,0,0,0,0|2,0,1]=4 1089 B11R1.28 OCCCSc1cccnc1 62a_100011215043_100000210063 [0,1,0,0,0,0|2,0,1]=4 1090 B11R1.28 OCCCSc1ccncc1 62a_100000728582_100011215043 [0,1,0,0,0,0|2,0,1]=4 1091 B11R1.28 OCCCSc1ccncc1 62a_100011215043_100000728582 [0,1,0,0,0,0|2,0,1]=4 1092 B11R1.28 OCCNCc1ccccc1 207a_100000210304_100015611070 [0,1,0,0,0,0|1,0,1]=3 1093 B11R1.28 OCCNCc1ccccc1 2230a_100015324214_100000211926 [0,1,0,0,0,0|1,0,1]=3 1094 B11R1.28 OCCNCc1ccccc1 2230a_100016997473_100015291786 [0,1,0,0,0,0|1,0,1]=3 1095 B11R1.28 OCCNCc1ccccc1 270004a_100000210304_100015611070 [0,1,0,0,0,0|1,0,1]=3 1096 B11R1.28 OCCNCc1ccccc1 34a_100015324214_100000211926 [0,1,0,0,0,0|1,0,1]=3 1097 B11R1.28 OCCNCc1ccccc1 34a_100016990907_100015291786 [0,1,0,0,0,0|1,0,1]=3 1098 B11R1.28 OCCNCc1ccccn1 207a_100000210304_100000209966 [0,1,0,0,0,0|2,0,1]=4 1099 B11R1.28 OCCNCc1ccccn1 2230a_100016997473_100000721315 [0,1,0,0,0,0|2,0,1]=4 1100 B11R1.28 OCCNCc1ccccn1 270004a_100000210304_100000209966 [0,1,0,0,0,0|2,0,1]=4 1101 B11R1.28 OCCNCc1ccccn1 34a_100016990907_100000721315 [0,1,0,0,0,0|2,0,1]=4 1102 B11R1.28 OCCNCc1cccnc1 207a_100000210304_100000209961 [0,1,0,0,0,0|2,0,1]=4 1103 B11R1.28 OCCNCc1cccnc1 2230a_100016997473_100000741622 [0,1,0,0,0,0|2,0,1]=4 1104 B11R1.28 OCCNCc1cccnc1 270004a_100000210304_100000209961 [0,1,0,0,0,0|2,0,1]=4 1105 B11R1.28 OCCNCc1cccnc1 34a_100016990907_100000733263 [0,1,0,0,0,0|2,0,1]=4 1106 B11R1.28 OCCNCc1ccncc1 207a_100000210304_100000186114 [0,1,0,0,0,0|2,0,1]=4 1107 B11R1.28 OCCNCc1ccncc1 2230a_100016997473_100015193705 [0,1,0,0,0,0|2,0,1]=4 1108 B11R1.28 OCCOCc1ccccc1 34a_100000210790_100000211926 [0,1,0,0,0,0|1,0,1]=3 1109 B11R1.28 OCCOCc1ccccc1 7a_100000210790_100000211926 [0,1,0,0,0,0|1,0,1]=3 1110 B11R1.28 OCCSCc1ccccc1 62a_100000211182_100000211926 [0,1,0,0,0,0|1,0,1]=3 1111 B11R1.28 OCCSCc1ccccc1 62a_100000211926_100015291786 [0,1,0,0,0,0|1,0,1]=3 1112 B11R1.28 OCCSCc1ccccn1 62a_100000211926_100000721315 [0,1,0,0,0,0|2,0,1]=4 1113 B11R1.28 OCCSCc1ccccn1 62a_100000721315_100000211926 [0,1,0,0,0,0|2,0,1]=4 1114 B11R1.28 OCCSCc1cccnc1 62a_100000211926_100000741622 [0,1,0,0,0,0|2,0,1]=4 1115 B11R1.28 OCCSCc1cccnc1 62a_100000741622_100000211926 [0,1,0,0,0,0|2,0,1]=4 1116 B11R1.28 OCCSCc1ccncc1 62a_100000211926_100015193705 [0,1,0,0,0,0|2,0,1]=4 1117 B11R1.28 OCCSCc1ccncc1 62a_100015193705_100000211926 [0,1,0,0,0,0|2,0,1]=4 1118 B11R1.28 [13CH3]NC/C=C/c1ccccc1 2230a_100020603302_200025704644 [0,1,0,0,0,0|1,0,2]=4 1119 B11R1.28 [13CH3]NC/C=C/c1ccccc1 34a_100020603302_200025704644 [0,1,0,0,0,0|1,0,2]=4 1120 B11R1.28 [13CH3]NCCCc1ccccc1 2230a_100000211184_200025704644 [0,1,0,0,0,0|1,0,2]=4 1121 B11R1.28 [13CH3]NCCCc1ccccc1 34a_100000211184_200025704644 [0,1,0,0,0,0|1,0,2]=4 1122 B11R1.28 [13CH3]NCCOc1ccccc1 2230a_100000174943_200025704644 [0,1,0,0,0,0|1,0,2]=4 1123 B11R1.28 [13CH3]NCCOc1ccccc1 34a_100000174943_200025704644 [0,1,0,0,0,0|1,0,2]=4 1124 B11R1.28 [13CH3]NCCSc1ccccc1 2230a_100000189519_200025704644 [0,1,0,0,0,0|1,0,2]=4 1125 B11R1.28 [13CH3]OC/C=C/c1ccccc1 34a_100000210256_200025704644 [0,1,0,0,0,0|1,0,1]=3 1126 B11R1.28 [13CH3]OC/C=C/c1cccnc1 34a_200102594124_200025704644 [0,1,0,0,0,0|2,0,1]=4 1127 B11R1.28 [13CH3]OCC#Cc1ccccc1 34a_100011217464_200025704644 [0,1,0,0,0,0|1,0,2]=4 1128 B11R1.28 [13CH3]OCC#Cc1ccccc1 7a_100011217464_200025704644 [0,1,0,0,0,0|1,0,2]=4 1129 B11R1.28 [13CH3]OCCCc1ccccc1 34a_100000210828_200025704644 [0,1,0,0,0,0|1,0,1]=3 1130 B11R1.28 [13CH3]OCCCc1ccccc1 7a_100000210828_200025704644 [0,1,0,0,0,0|1,0,1]=3 1131 B11R1.28 [13CH3]OCCCc1ccccn1 34a_100011215068_200025704644 [0,1,0,0,0,0|2,0,1]=4 1132 B11R1.28 [13CH3]OCCCc1cccnc1 34a_100000211284_200025704644 [0,1,0,0,0,0|2,0,1]=4 1133 B11R1.28 [13CH3]OCCCc1ccncc1 34a_100000210659_200025704644 [0,1,0,0,0,0|2,0,1]=4 1134 B11R1.28 [13CH3]OCCNc1ccccc1 34a_100000211345_200025704644 [0,1,0,0,0,0|2,0,1]=4 1135 B11R1.28 [13CH3]OCCOc1ccccc1 34a_100000210260_200025704644 [0,1,0,0,0,0|2,0,1]=4 1136 B11R1.28 [13CH3]OCCOc1ccccc1 7a_100000210260_200025704644 [0,1,0,0,0,0|2,0,1]=4 1137 B11R1.28 [13CH3]OCCSc1ccccc1 7a_100000230494_200025704644 [0,1,0,0,0,0|2,0,1]=4 1138 B11R1.28 [13CH3]SC/C=C/c1ccccc1 62a_100016265936_200025704644 [0,1,0,0,0,0|1,1,1]=4 1139 B11R1.28 [13CH3]SC/C=C/c1ccccc1 62a_200025704644_100016265936 [0,1,0,0,0,0|1,1,1]=4 1140 B11R1.28 [13CH3]SCCCc1ccccc1 62a_100000211621_200025704644 [0,1,0,0,0,0|1,1,1]=4 1141 B11R1.28 [13CH3]SCCCc1ccccc1 62a_200025704644_100000211621 [0,1,0,0,0,0|1,1,1]=4 1142 B11R1.28 [13CH3]SCCOc1ccccc1 62a_100000184471_200025704644 [0,1,0,0,0,0|2,0,1]=4 1143 B11R1.28 [13CH3]SCCOc1ccccc1 62a_200025704644_100000184471 [0,1,0,0,0,0|2,0,1]=4 1144 B11R1.28 [13CH3]SCCSc1ccccc1 62a_100000246102_200025704644 [0,1,0,0,0,0|2,0,1]=4 1145 B11R1.28 [13CH3]SCCSc1ccccc1 62a_200025704644_100000246102 [0,1,0,0,0,0|2,0,1]=4 1146 B11R1.28 [13CH3]SCOCc1ccccc1 62a_100000763385_200025704644 [0,1,0,0,0,0|2,0,1]=4 1147 B11R1.28 [13CH3]SCOCc1ccccc1 62a_200025704644_100000763385 [0,1,0,0,0,0|2,0,1]=4 1148 B11R1.28 [13CH3]SCSCc1ccccc1 62a_200011217039_200025704644 [0,1,0,0,0,0|2,0,1]=4 1149 B11R1.28 [13CH3]SCSCc1ccccc1 62a_200025704644_200011217039 [0,1,0,0,0,0|2,0,1]=4 1150 B11R1.40 C#CC(=O)Cc1ccccc1 1458a_100000211873_100015291786 [0,1,0,0,0,0|2,0,0]=3 1151 B11R1.40 C#CC(=O)Cc1ccccn1 1458a_100000211873_100000721315 [0,1,0,0,0,0|3,0,0]=4 1152 B11R1.40 C#CC(=O)Cc1cccnc1 1458a_100000211873_100000733263 [0,1,0,0,0,0|3,0,0]=4 1153 B11R1.40 C#CC(=O)Cc1ccncc1 1458a_100000211873_100000705612 [0,1,0,0,0,0|3,0,0]=4 1154 B11R1.40 C=CC(=O)Cc1ccccc1 1458a_100000185746_100015291786 [0,1,0,0,0,0|2,0,0]=3 1155 B11R1.40 C=CC(=O)Cc1ccccn1 1458a_100000185746_100000721315 [0,1,0,0,0,0|3,0,0]=4 1156 B11R1.40 C=CC(=O)Cc1cccnc1 1458a_100000185746_100000733263 [0,1,0,0,0,0|3,0,0]=4 1157 B11R1.40 C=CC(=O)Cc1ccncc1 1458a_100000185746_100000705612 [0,1,0,0,0,0|3,0,0]=4 1158 B11R1.40 C=CC(=O)Nc1ccccc1 1626a_100000106764_100000185746 [0,1,0,0,0,0|3,0,0]=4 1159 B11R1.40 C=CC(=O)Nc1ccccc1 22a_100000106764_100000185746 [0,1,0,0,0,0|3,0,0]=4 1160 B11R1.40 CC(CO)Nc1ccccc1 34a_100000106764_100012180447 [0,1,0,0,0,0|2,0,1]=4 1161 B11R1.40 CC(CO)Oc1ccccc1 34a_100000210340_100012180447 [0,1,0,0,0,0|2,0,1]=4 1162 B11R1.40 CC(CO)Oc1ccccc1 7a_100000210340_100012180447 [0,1,0,0,0,0|2,0,1]=4 1163 B11R1.40 CC(CO)Sc1ccccc1 62a_100012180447_100000041952 [0,1,0,0,0,0|2,0,1]=4 1164 B11R1.40 CC(Cc1ccccc1)O[13CH3] 34a_100000748627_200025704644 [0,1,0,0,0,0|2,0,1]=4 1165 B11R1.40 CC(Cc1ccccc1)O[13CH3] 7a_100000748627_200025704644 [0,1,0,0,0,0|2,0,1]=4 1166 B11R1.40 CC(Cc1ccccc1)S[13CH3] 62a_200011218536_200025704644 [0,1,0,0,0,0|2,0,1]=4 1167 B11R1.40 CC(Cc1ccccc1)S[13CH3] 62a_200025704644_200011218536 [0,1,0,0,0,0|2,0,1]=4 1168 B11R1.40 CCC(=O)C[n+]1ccccc1 1458a_200000086051_100000210202 [0,1,0,0,0,0|3,0,0]=4 1169 B11R1.40 CCC(=O)Cc1ccccc1 1458a_100000210414_100015291786 [0,1,0,0,0,0|2,0,0]=3 1170 B11R1.40 CCC(=O)Cc1ccccn1 1458a_100000210414_100000721315 [0,1,0,0,0,0|3,0,0]=4 1171 B11R1.40 CCC(=O)Cc1ccccn1 1458a_100000233486_100000210202 [0,1,0,0,0,0|3,0,0]=4 1172 B11R1.40 CCC(=O)Cc1cccnc1 1458a_100000210414_100000733263 [0,1,0,0,0,0|3,0,0]=4 1173 B11R1.40 CCC(=O)Cc1cccnc1 1458a_100000737805_100000210202 [0,1,0,0,0,0|3,0,0]=4 1174 B11R1.40 CCC(=O)Cc1ccncc1 1458a_100000210414_100000705612 [0,1,0,0,0,0|3,0,0]=4 1175 B11R1.40 CCC(=O)Nc1ccccc1 11a_100000106764_100000210414 [0,1,0,0,0,0|3,0,0]=4 1176 B11R1.40 CCC(=O)Nc1ccccc1 1626a_100000106764_100000210414 [0,1,0,0,0,0|3,0,0]=4 1177 B11R1.40 CCC(=O)Nc1ccccc1 22a_100000106764_100000210414 [0,1,0,0,0,0|3,0,0]=4 1178 B11R1.40 CCC(=O)Nc1ccccc1 527a_100000106764_100000210414 [0,1,0,0,0,0|3,0,0]=4 1179 B11R1.40 CCN(C)Cc1ccccc1 2230a_100000186898_100000210202 [0,1,0,0,0,0|3,0,0]=4 1180 B11R1.40 CCN(C)Cc1ccccc1 2230a_100000186914_200000210301 [0,1,0,0,0,0|3,0,0]=4 1181 B11R1.40 CCN(C)Cc1ccccc1 2230a_100000225621_100015291786 [0,1,0,0,0,0|3,0,0]=4 1182 B11R1.40 CCN(C)Cc1ccccc1 269982a_100000186898_100000204670 [0,1,0,0,0,0|3,0,0]=4 1183 B11R1.40 CCN(C)Cc1ccccc1 269982a_100000186914_200000210301 [0,1,0,0,0,0|3,0,0]=4 1184 B11R1.40 CCN(C)Cc1ccccc1 269982a_100000225621_100000211182 [0,1,0,0,0,0|3,0,0]=4 1185 B11R1.40 CCN([13CH3])Cc1ccccc1 2230a_100000186914_200025704644 [0,1,0,0,0,0|3,0,0]=4 1186 B11R1.40 CCN([13CH3])Cc1ccccc1 269982a_100000186914_200025704644 [0,1,0,0,0,0|3,0,0]=4 1187 B11R1.40 CN(CF)Cc1ccccc1 269982a_100000186898_100015361967 [0,1,0,0,0,0|3,0,0]=4 1188 B11R1.40 CNC(=O)C[n+]1ccccc1 11a_106832991635_200000086051 [0,1,0,0,0,0|2,0,1]=4 1189 B11R1.40 CNC(=O)C[n+]1ccccc1 240690a_100102657272_200000086051 [0,1,0,0,0,0|2,0,1]=4 1190 B11R1.40 CNC(=O)C[n+]1ccccc1 527a_100102657272_200000086051 [0,1,0,0,0,0|2,0,1]=4 1191 B11R1.40 CNC(=O)Cc1ccccn1 11a_106832991635_100000233486 [0,1,0,0,0,0|2,0,1]=4 1192 B11R1.40 CNC(=O)Cc1cccnc1 11a_106832991635_100000737805 [0,1,0,0,0,0|2,0,1]=4 1193 B11R1.40 CNC(=O)Cc1cccnc1 240690a_100102657272_100000737805 [0,1,0,0,0,0|2,0,1]=4 1194 B11R1.40 CNC(=O)Cc1cccnc1 527a_100102657272_100000737805 [0,1,0,0,0,0|2,0,1]=4 1195 B11R1.40 CNC(=O)Cc1ccncc1 11a_106832991635_100011201483 [0,1,0,0,0,0|2,0,1]=4 1196 B11R1.40 CNC(=O)Cc1ccncc1 240690a_100102657272_100011201483 [0,1,0,0,0,0|2,0,1]=4 1197 B11R1.40 CNC(=O)Nc1ccccc1 2430a_100000106764_100102657272 [0,1,0,0,0,0|2,0,1]=4 1198 B11R1.40 CNC(C)Cc1ccccc1 34a_100102657272_200011218536 [0,1,0,0,0,0|1,0,2]=4 1199 B11R1.40 CNC(C)Cc1ccccc1 7a_106832991635_200011218536 [0,1,0,0,0,0|1,0,2]=4 1200 B11R1.40 COC(C)Cc1ccccc1 34a_100000748627_200000210301 [0,1,0,0,0,0|2,0,1]=4 1201 B11R1.40 COC(C)Cc1ccccc1 34a_100138415774_200011218536 [0,1,0,0,0,0|2,0,1]=4 1202 B11R1.40 COC(C)Cc1ccccc1 7a_100000748627_200000210301 [0,1,0,0,0,0|2,0,1]=4 1203 B11R1.40 CSC(C)Cc1ccccc1 62a_200000210301_200011218536 [0,1,0,0,0,0|2,0,1]=4 1204 B11R1.40 CSC(C)Cc1ccccc1 62a_200011218536_200000210301 [0,1,0,0,0,0|2,0,1]=4 1205 B11R1.40 C[C@H](CO)Sc1ccccc1 62a_100000719477_100016084084 [0,1,0,0,0,0|2,0,1]=4 1206 B11R1.40 C[C@H](CO)Sc1ccccc1 62a_100016084084_100000041952 [0,1,0,0,0,0|2,0,1]=4 1207 B11R1.40 O=C(CF)C[n+]1ccccc1 1458a_200000086051_100015361967 [0,1,0,0,0,0|3,0,0]=4 1208 B11R1.40 O=C(CF)Cc1ccccn1 1458a_100000233486_100015361967 [0,1,0,0,0,0|3,0,0]=4 1209 B11R1.40 O=C(CF)Cc1cccnc1 1458a_100000737805_100015361967 [0,1,0,0,0,0|3,0,0]=4 1210 B11R1.40 O=C(CO)Cc1ccccc1 1458a_100000210174_100015291786 [0,1,0,0,0,0|1,0,0]=2 1211 B11R1.40 O=C(CO)Cc1ccccn1 1458a_100000210174_100000721315 [0,1,0,0,0,0|2,0,0]=3 1212 B11R1.40 O=C(CO)Cc1cccnc1 1458a_100000210174_100000733263 [0,1,0,0,0,0|2,0,0]=3 1213 B11R1.40 O=C(CO)Cc1cccnn1 1458a_100000210174_100016990269 [0,1,0,0,0,0|3,0,0]=4 1214 B11R1.40 O=C(CO)Cc1ccncc1 1458a_100000210174_100000705612 [0,1,0,0,0,0|2,0,0]=3 1215 B11R1.40 O=C(CO)Cc1cnccn1 1458a_100000210174_100016995436 [0,1,0,0,0,0|3,0,0]=4 1216 B11R1.40 O=C(CO)Cc1cncnc1 1458a_100000210174_100015196519 [0,1,0,0,0,0|3,0,0]=4 1217 B11R1.40 O=C(CO)Cc1ncccn1 1458a_100000210174_100000703007 [0,1,0,0,0,0|3,0,0]=4 1218 B11R1.40 O=C(CO)Nc1ccccc1 22a_100000106764_100000210174 [0,1,0,0,0,0|2,0,0]=3 1219 B11R1.40 O=C(CO)Nc1ccccc1 527a_100000106764_100000210174 [0,1,0,0,0,0|2,0,0]=3 1220 B11R1.91 CC(=O)C=Cc1ccccc1 1458a_100000210462_200000210301 [0,1,0,0,0,0|1,0,2]=4 1221 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000070787_100000765856 [0,1,0,0,0,0|1,0,2]=4 1222 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000185753_200000210301 [0,1,0,0,0,0|1,0,2]=4 1223 B11R1.91 CC(=O)NCc1ccccc1 11a_100015324214_100015343762 [0,1,0,0,0,0|2,0,1]=4 1224 B11R1.91 CC(=O)NCc1ccccc1 1626a_100015324214_100015343762 [0,1,0,0,0,0|2,0,1]=4 1225 B11R1.91 CC(=O)NCc1ccccc1 240690a_100015324214_100015343762 [0,1,0,0,0,0|2,0,1]=4 1226 B11R1.91 CC(=O)NCc1ccccc1 527a_100015324214_100103153847 [0,1,0,0,0,0|2,0,1]=4 1227 B11R1.91 CC(C)C=Cc1ccccc1 271570a_100016257149_100000210277 [0,1,0,0,0,0|2,0,1]=4 1228 B11R1.91 CC(C)NCc1ccccc1 207a_100138425928_100015611070 [0,1,0,0,0,0|3,0,0]=4 1229 B11R1.91 CC(C)NCc1ccccc1 2230a_100015324214_100000210206 [0,1,0,0,0,0|3,0,0]=4 1230 B11R1.91 CC(C)NCc1ccccc1 2230a_100138425928_100015291786 [0,1,0,0,0,0|3,0,0]=4 1231 B11R1.91 CC(C)NCc1ccccc1 34a_100015324214_100000210206 [0,1,0,0,0,0|3,0,0]=4 1232 B11R1.91 CC(C)NCc1ccccc1 34a_100138425928_100015291786 [0,1,0,0,0,0|3,0,0]=4 1233 B11R1.91 CC(C)OCc1ccccc1 34a_100000210790_100000210206 [0,1,0,0,0,0|3,0,0]=4 1234 B11R1.91 CC(C)OCc1ccccc1 34a_100000212225_100015291786 [0,1,0,0,0,0|3,0,0]=4 1235 B11R1.91 CC(C)OCc1ccccc1 7a_100000210790_100000210206 [0,1,0,0,0,0|3,0,0]=4 1236 B11R1.91 CC(C)SCc1ccccc1 62a_100000210206_100015291786 [0,1,0,0,0,0|3,0,0]=4 1237 B11R1.91 CC(C)SCc1ccccc1 62a_100000211182_100000210206 [0,1,0,0,0,0|3,0,0]=4 1238 B11R1.91 CC(O)C=Cc1ccccc1 271570a_200011019289_100000210277 [0,1,0,0,0,0|1,0,1]=3 1239 B11R1.91 CC(O)C=Cc1ccccn1 271570a_200011019289_100011216584 [0,1,0,0,0,0|2,0,1]=4 1240 B11R1.91 CC(O)C=Cc1cccnc1 271570a_200011019289_100000752921 [0,1,0,0,0,0|2,0,1]=4 1241 B11R1.91 CC(O)C=Cc1ccncc1 271570a_200011019289_100000035832 [0,1,0,0,0,0|2,0,1]=4 1242 B11R1.91 CC(O)CNc1ccccc1 34a_100000106764_100011218427 [0,1,0,0,0,0|2,0,1]=4 1243 B11R1.91 CC(O)COc1ccccc1 34a_100000210340_100011218427 [0,1,0,0,0,0|2,0,1]=4 1244 B11R1.91 CC(O)COc1ccccc1 7a_100000210340_100011218427 [0,1,0,0,0,0|2,0,1]=4 1245 B11R1.91 CC(O)CSc1ccccc1 62a_100000719477_100011218427 [0,1,0,0,0,0|2,0,1]=4 1246 B11R1.91 CC(O)CSc1ccccc1 62a_100011218427_100000041952 [0,1,0,0,0,0|2,0,1]=4 1247 B11R1.91 CN(C)CCc1ccccc1 2230a_100000207497_200000210301 [0,1,0,0,0,0|1,0,2]=4 1248 B11R1.91 CN(C)CCc1ccccc1 2230a_100102631434_100000765856 [0,1,0,0,0,0|1,0,2]=4 1249 B11R1.91 CN(C)CCc1ccccc1 269982a_100000207497_200000210301 [0,1,0,0,0,0|1,0,2]=4 1250 B11R1.91 CN(C)CCc1ccccc1 269982a_100102631434_100000765856 [0,1,0,0,0,0|1,0,2]=4 1251 B11R1.91 CN([13CH3])CCc1ccccc1 2230a_100000207497_200025704644 [0,1,0,0,0,0|1,0,2]=4 1252 B11R1.91 CN([13CH3])CCc1ccccc1 269982a_100000207497_200025704644 [0,1,0,0,0,0|1,0,2]=4 1253 B11R1.91 C[C@@H](O)CNc1ccccc1 34a_100000106764_100009817552 [0,1,0,0,0,0|2,0,1]=4 1254 B11R1.91 C[C@@H](O)COc1ccccc1 34a_100000210340_100009817552 [0,1,0,0,0,0|2,0,1]=4 1255 B11R1.91 C[C@@H](O)COc1ccccc1 7a_100000210340_100009817552 [0,1,0,0,0,0|2,0,1]=4 1256 B11R1.91 C[C@@H](O)CSc1ccccc1 62a_100000719477_100009817552 [0,1,0,0,0,0|2,0,1]=4 1257 B11R1.91 C[C@@H](O)CSc1ccccc1 62a_100009817552_100000041952 [0,1,0,0,0,0|2,0,1]=4 1258 B11R1.91 [13CH3]C(=O)C=Cc1ccccc1 1458a_100000210462_200025704644 [0,1,0,0,0,0|1,0,2]=4 1259 B11R1.91 [13CH3]C(=O)CCc1ccccc1 1458a_100000185753_200025704644 [0,1,0,0,0,0|1,0,2]=4 1260 B9R0.18 C=CC=CC(=O)C/C=C/C 1458a_100016291481_100102629194 [0,0,1,0,0,0|3,0,0]=4 1261 B9R0.18 C=CC=CC(=O)CC=CC 1458a_100016291481_100000070051 [0,0,1,0,0,0|3,0,0]=4 1262 B9R0.18 C=CC=CC(=O)CCCO 1458a_100016291481_100011215043 [0,0,1,0,0,0|2,0,1]=4 1263 B11R2.1 Oc1c[nH]c2c1cccn2 271570a_203496583355_100011934613 [0,0,0,1,0,0|3,0,0]=4 1264 B11R2.1 Oc1c[nH]c2c1ccnc2 271570a_203496583355_100010232032 [0,0,0,1,0,0|3,0,0]=4 1265 B11R2.1 Oc1c[nH]c2c1cncc2 271570a_203496583355_100011934843 [0,0,0,1,0,0|3,0,0]=4 1266 B11R2.1 Oc1c[nH]c2c1nccc2 271570a_203496583355_100009817151 [0,0,0,1,0,0|3,0,0]=4 1267 B11R2.1 Oc1cnc2n1cccc2 271570a_203496583355_100011219245 [0,0,0,1,0,0|3,0,0]=4 1268 B11R2.1 Oc1cnn2c1cccc2 271570a_203496583355_100009817726 [0,0,0,1,0,0|3,0,0]=4 1269 B11R2.1 Oc1coc2c1cccc2 271570a_203496583355_100009812202 [0,0,0,1,0,0|2,0,0]=3 1270 B11R2.1 Oc1coc2c1nccc2 271570a_203496583355_100009889148 [0,0,0,1,0,0|3,0,0]=4 1271 B11R2.1 Oc1csc2c1cccc2 271570a_203496583355_100009813928 [0,0,0,1,0,0|2,0,0]=3 1272 B11R2.1 Oc1csc2c1cccn2 271570a_203496583355_100009830249 [0,0,0,1,0,0|3,0,0]=4 1273 B11R2.1 Oc1csc2c1ccnc2 271570a_203496583355_100009817111 [0,0,0,1,0,0|3,0,0]=4 1274 B11R2.1 Oc1csc2c1cncc2 271570a_203496583355_100010247091 [0,0,0,1,0,0|3,0,0]=4 1275 B11R2.1 Oc1csc2c1nccc2 271570a_203496583355_100010247092 [0,0,0,1,0,0|3,0,0]=4 1276 B11R2.1 Oc1n[nH]c2c1cccc2 271570a_203496583355_100000050141 [0,0,0,1,0,0|3,0,0]=4 1277 B11R2.988 CNC1Cc2c1cccc2 7a_106832991635_100009813401 [0,0,0,1,0,0|1,0,2]=4 1278 B11R2.988 CSC1Cc2c1cccc2 62a_100009813401_200000210301 [0,0,0,1,0,0|2,0,1]=4 1279 B11R2.988 CSC1Cc2c1cccc2 62a_200000210301_100009813401 [0,0,0,1,0,0|2,0,1]=4 1280 B11R2.988 [13CH3]SC1Cc2c1cccc2 62a_100009813401_200025704644 [0,0,0,1,0,0|2,0,1]=4 1281 B11R2.988 [13CH3]SC1Cc2c1cccc2 62a_200025704644_100009813401 [0,0,0,1,0,0|2,0,1]=4 1282 B8R0.1 C=CC=CC(=O)CC=C 1458a_100016291481_100000210623 [1,0,1,0,0,0|2,0,0]=4 1283 B8R0.1 C=CC=CC(=O)CCO 1458a_100016291481_100000211926 [1,0,1,0,0,0|1,0,1]=4 1284 B8R1.2 C=Cc1ccccc1 271570a_100011290941_100000210277 [2,0,0,0,0,0|0,0,1]=3 1285 B8R1.2 C=Cc1ccccn1 271570a_100011290941_100011216584 [2,0,0,0,0,0|1,0,1]=4 1286 B8R1.2 C=Cc1cccnc1 271570a_100011290941_100000752921 [2,0,0,0,0,0|1,0,1]=4 1287 B8R1.2 C=Cc1ccncc1 271570a_100011290941_100000035832 [2,0,0,0,0,0|1,0,1]=4 1288 B8R1.2 CNc1ccccc1 34a_100000106764_200000210301 [2,0,0,0,0,0|1,0,1]=4 1289 B8R1.2 COc1ccccc1 34a_100000210340_200000210301 [2,0,0,0,0,0|1,0,1]=4 1290 B8R1.2 COc1ccccc1 7a_100000210340_200000210301 [2,0,0,0,0,0|1,0,1]=4 1291 B8R1.2 CSc1ccccc1 62a_100000719477_200000210301 [2,0,0,0,0,0|1,0,1]=4 1292 B8R1.2 CSc1ccccc1 62a_200000210301_100000041952 [2,0,0,0,0,0|1,0,1]=4 1293 B8R1.2 [13CH3]Nc1ccccc1 34a_100000106764_200025704644 [2,0,0,0,0,0|1,0,1]=4 1294 B8R1.2 [13CH3]Oc1ccccc1 34a_100000210340_200025704644 [2,0,0,0,0,0|1,0,1]=4 1295 B8R1.2 [13CH3]Oc1ccccc1 7a_100000210340_200025704644 [2,0,0,0,0,0|1,0,1]=4 1296 B8R1.2 [13CH3]Sc1ccccc1 62a_100000719477_200025704644 [2,0,0,0,0,0|1,0,1]=4 1297 B8R1.2 [13CH3]Sc1ccccc1 62a_200025704644_100000041952 [2,0,0,0,0,0|1,0,1]=4 1298 B10R1.1 C/C=C/c1ccc(cc1)O 271570a_203496583355_100016259036 [1,1,0,0,0,0|1,0,1]=4 1299 B10R1.1 C=C=Cc1ccc(cc1)Br 271570a_100015277604_100000752885 [1,1,0,0,0,0|2,0,0]=4 1300 B10R1.1 C=C=Cc1ccc(cc1)C 271570a_100015277604_100000186775 [1,1,0,0,0,0|2,0,0]=4 1301 B10R1.1 C=C=Cc1ccc(cc1)Cl 271570a_100015277604_100000755918 [1,1,0,0,0,0|2,0,0]=4 1302 B10R1.1 C=C=Cc1ccc(cc1)F 271570a_100015277604_100000211213 [1,1,0,0,0,0|2,0,0]=4 1303 B10R1.1 C=C=Cc1ccc(cc1)N 271570a_100015277604_100000185761 [1,1,0,0,0,0|2,0,0]=4 1304 B10R1.1 C=C=Cc1ccc(cc1)O 271570a_100015277604_100000185759 [1,1,0,0,0,0|2,0,0]=4 1305 B10R1.1 CC=Cc1ccc(cc1)Br 271570a_100016259895_100000752885 [1,1,0,0,0,0|1,0,1]=4 1306 B10R1.1 CC=Cc1ccc(cc1)C 271570a_100016259895_100000186775 [1,1,0,0,0,0|1,0,1]=4 1307 B10R1.1 CC=Cc1ccc(cc1)Cl 271570a_100016259895_100000755918 [1,1,0,0,0,0|1,0,1]=4 1308 B10R1.1 CC=Cc1ccc(cc1)F 271570a_100016259895_100000211213 [1,1,0,0,0,0|1,0,1]=4 1309 B10R1.1 CC=Cc1ccc(cc1)N 271570a_100016259895_100000185761 [1,1,0,0,0,0|1,0,1]=4 1310 B10R1.1 CC=Cc1ccc(cc1)O 271570a_100016259895_100000185759 [1,1,0,0,0,0|1,0,1]=4 1311 B10R1.1 CCCc1ccc(cc1)O 271570a_203496583355_100000750032 [1,1,0,0,0,0|1,0,1]=4 1312 B10R1.1 CNCc1ccc(cc1)Br 207a_100102657272_100000186029 [1,1,0,0,0,0|1,0,1]=4 1313 B10R1.1 CNCc1ccc(cc1)Br 2230a_100000174875_200000210301 [1,1,0,0,0,0|1,0,1]=4 1314 B10R1.1 CNCc1ccc(cc1)Br 2230a_106832991635_100011217064 [1,1,0,0,0,0|1,0,1]=4 1315 B10R1.1 CNCc1ccc(cc1)Br 26a_100102657272_100000185759 [1,1,0,0,0,0|1,0,1]=4 1316 B10R1.1 CNCc1ccc(cc1)Br 270004a_106832991635_100000186029 [1,1,0,0,0,0|1,0,1]=4 1317 B10R1.1 CNCc1ccc(cc1)Br 34a_100000174875_200000210301 [1,1,0,0,0,0|1,0,1]=4 1318 B10R1.1 CNCc1ccc(cc1)Br 34a_100102657272_100000189115 [1,1,0,0,0,0|1,0,1]=4 1319 B10R1.1 CNCc1ccc(cc1)Br 7a_106832991635_100011217064 [1,1,0,0,0,0|1,0,1]=4 1320 B10R1.1 CNCc1ccc(cc1)C 207a_100102657272_100000211033 [1,1,0,0,0,0|1,0,1]=4 1321 B10R1.1 CNCc1ccc(cc1)C 2230a_100000174908_200000210301 [1,1,0,0,0,0|1,0,1]=4 1322 B10R1.1 CNCc1ccc(cc1)C 2230a_106832991635_100000210814 [1,1,0,0,0,0|1,0,1]=4 1323 B10R1.1 CNCc1ccc(cc1)C 26a_100102657272_200020625495 [1,1,0,0,0,0|1,0,1]=4 1324 B10R1.1 CNCc1ccc(cc1)C 270004a_106832991635_100000211033 [1,1,0,0,0,0|1,0,1]=4 1325 B10R1.1 CNCc1ccc(cc1)C 34a_100000174908_200000210301 [1,1,0,0,0,0|1,0,1]=4 1326 B10R1.1 CNCc1ccc(cc1)C 34a_100102657272_100000210814 [1,1,0,0,0,0|1,0,1]=4 1327 B10R1.1 CNCc1ccc(cc1)C 7a_106832991635_100000210814 [1,1,0,0,0,0|1,0,1]=4 1328 B10R1.1 CNCc1ccc(cc1)Cl 207a_100102657272_100000189385 [1,1,0,0,0,0|1,0,1]=4 1329 B10R1.1 CNCc1ccc(cc1)Cl 2230a_100000174871_200000210301 [1,1,0,0,0,0|1,0,1]=4 1330 B10R1.1 CNCc1ccc(cc1)Cl 2230a_106832991635_100000694040 [1,1,0,0,0,0|1,0,1]=4 1331 B10R1.1 CNCc1ccc(cc1)Cl 270004a_106832991635_100000189385 [1,1,0,0,0,0|1,0,1]=4 1332 B10R1.1 CNCc1ccc(cc1)Cl 34a_100000174871_200000210301 [1,1,0,0,0,0|1,0,1]=4 1333 B10R1.1 CNCc1ccc(cc1)Cl 34a_100102657272_100000694040 [1,1,0,0,0,0|1,0,1]=4 1334 B10R1.1 CNCc1ccc(cc1)Cl 7a_106832991635_100000187161 [1,1,0,0,0,0|1,0,1]=4 1335 B10R1.1 CNCc1ccc(cc1)F 207a_100102657272_100000210084 [1,1,0,0,0,0|1,0,1]=4 1336 B10R1.1 CNCc1ccc(cc1)F 2230a_100000174882_200000210301 [1,1,0,0,0,0|1,0,1]=4 1337 B10R1.1 CNCc1ccc(cc1)F 2230a_106832991635_100000198546 [1,1,0,0,0,0|1,0,1]=4 1338 B10R1.1 CNCc1ccc(cc1)F 270004a_106832991635_100000210084 [1,1,0,0,0,0|1,0,1]=4 1339 B10R1.1 CNCc1ccc(cc1)F 34a_100000174882_200000210301 [1,1,0,0,0,0|1,0,1]=4 1340 B10R1.1 CNCc1ccc(cc1)F 34a_100102657272_100000198546 [1,1,0,0,0,0|1,0,1]=4 1341 B10R1.1 CNCc1ccc(cc1)F 7a_106832991635_100000198546 [1,1,0,0,0,0|1,0,1]=4 1342 B10R1.1 CNCc1ccc(cc1)I 207a_100102657272_100000188517 [1,1,0,0,0,0|1,0,1]=4 1343 B10R1.1 CNCc1ccc(cc1)I 2230a_100016989417_200000210301 [1,1,0,0,0,0|1,0,1]=4 1344 B10R1.1 CNCc1ccc(cc1)I 2230a_106832991635_100000189116 [1,1,0,0,0,0|1,0,1]=4 1345 B10R1.1 CNCc1ccc(cc1)I 34a_100016989417_200000210301 [1,1,0,0,0,0|1,0,1]=4 1346 B10R1.1 CNCc1ccc(cc1)I 34a_100102657272_100000189116 [1,1,0,0,0,0|1,0,1]=4 1347 B10R1.1 CNCc1ccc(cc1)I 7a_106832991635_100000189116 [1,1,0,0,0,0|1,0,1]=4 1348 B10R1.1 CNCc1ccc(cc1)O 271570a_203496583355_100000180866 [1,1,0,0,0,0|1,0,1]=4 1349 B10R1.1 CNCc1ccc(cc1)O 34a_100000185549_200000210301 [1,1,0,0,0,0|1,0,1]=4 1350 B10R1.1 COCc1ccc(cc1)Br 34a_100000695286_200000210301 [1,1,0,0,0,0|2,0,0]=4 1351 B10R1.1 COCc1ccc(cc1)Br 34a_100138415774_100000189115 [1,1,0,0,0,0|2,0,0]=4 1352 B10R1.1 COCc1ccc(cc1)C 34a_100011215236_200000210301 [1,1,0,0,0,0|2,0,0]=4 1353 B10R1.1 COCc1ccc(cc1)C 34a_100138415774_100000210814 [1,1,0,0,0,0|2,0,0]=4 1354 B10R1.1 COCc1ccc(cc1)C 7a_100011215236_200000210301 [1,1,0,0,0,0|2,0,0]=4 1355 B10R1.1 COCc1ccc(cc1)Cl 34a_100000211118_200000210301 [1,1,0,0,0,0|2,0,0]=4 1356 B10R1.1 COCc1ccc(cc1)Cl 34a_100138415774_100000694040 [1,1,0,0,0,0|2,0,0]=4 1357 B10R1.1 COCc1ccc(cc1)Cl 7a_100000211118_200000210301 [1,1,0,0,0,0|2,0,0]=4 1358 B10R1.1 COCc1ccc(cc1)F 34a_100000210977_200000210301 [1,1,0,0,0,0|2,0,0]=4 1359 B10R1.1 COCc1ccc(cc1)F 34a_100138415774_100000198546 [1,1,0,0,0,0|2,0,0]=4 1360 B10R1.1 COCc1ccc(cc1)F 7a_100000210977_200000210301 [1,1,0,0,0,0|2,0,0]=4 1361 B10R1.1 COCc1ccc(cc1)I 34a_100000690907_200000210301 [1,1,0,0,0,0|2,0,0]=4 1362 B10R1.1 COCc1ccc(cc1)I 34a_100138415774_100000189116 [1,1,0,0,0,0|2,0,0]=4 1363 B10R1.1 COCc1ccc(cc1)I 7a_100000690907_200000210301 [1,1,0,0,0,0|2,0,0]=4 1364 B10R1.1 COCc1ccc(cc1)N 34a_100011215238_200000210301 [1,1,0,0,0,0|2,0,0]=4 1365 B10R1.1 COCc1ccc(cc1)O 271570a_203496583355_100011493685 [1,1,0,0,0,0|2,0,0]=4 1366 B10R1.1 CSCc1ccc(cc1)Br 62a_100000189115_200000210301 [1,1,0,0,0,0|2,0,0]=4 1367 B10R1.1 CSCc1ccc(cc1)Br 62a_200000210301_100000189115 [1,1,0,0,0,0|2,0,0]=4 1368 B10R1.1 CSCc1ccc(cc1)C 62a_100000210814_200000210301 [1,1,0,0,0,0|2,0,0]=4 1369 B10R1.1 CSCc1ccc(cc1)C 62a_200000210301_100000210814 [1,1,0,0,0,0|2,0,0]=4 1370 B10R1.1 CSCc1ccc(cc1)Cl 62a_100000187161_200000210301 [1,1,0,0,0,0|2,0,0]=4 1371 B10R1.1 CSCc1ccc(cc1)Cl 62a_200000210301_100000187161 [1,1,0,0,0,0|2,0,0]=4 1372 B10R1.1 CSCc1ccc(cc1)F 62a_100000198546_200000210301 [1,1,0,0,0,0|2,0,0]=4 1373 B10R1.1 CSCc1ccc(cc1)F 62a_200000210301_100000187164 [1,1,0,0,0,0|2,0,0]=4 1374 B10R1.1 CSCc1ccc(cc1)I 62a_100000189116_200000210301 [1,1,0,0,0,0|2,0,0]=4 1375 B10R1.1 CSCc1ccc(cc1)I 62a_200000210301_100000189116 [1,1,0,0,0,0|2,0,0]=4 1376 B10R1.1 Cc1ccc(cc1)CN[13CH3] 2230a_100000174908_200025704644 [1,1,0,0,0,0|1,0,1]=4 1377 B10R1.1 Cc1ccc(cc1)CN[13CH3] 34a_100000174908_200025704644 [1,1,0,0,0,0|1,0,1]=4 1378 B10R1.1 Cc1ccc(cc1)CO[13CH3] 34a_100011215236_200025704644 [1,1,0,0,0,0|2,0,0]=4 1379 B10R1.1 Cc1ccc(cc1)CO[13CH3] 7a_100011215236_200025704644 [1,1,0,0,0,0|2,0,0]=4 1380 B10R1.1 Cc1ccc(cc1)CS[13CH3] 62a_100000210814_200025704644 [1,1,0,0,0,0|2,0,0]=4 1381 B10R1.1 Cc1ccc(cc1)CS[13CH3] 62a_200025704644_100000210814 [1,1,0,0,0,0|2,0,0]=4 1382 B10R1.1 N#CCc1ccc(cc1)O 271570a_203496583355_100011217881 [1,1,0,0,0,0|0,0,2]=4 1383 B10R1.1 NCCc1ccc(cc1)O 271570a_203496583355_100000755846 [1,1,0,0,0,0|0,0,2]=4 1384 B10R1.1 NNCc1ccc(cc1)O 271570a_203496583355_100016993955 [1,1,0,0,0,0|1,0,1]=4 1385 B10R1.1 O=CCc1ccc(cc1)O 271570a_203496583355_100011361690 [1,1,0,0,0,0|0,0,1]=3 1386 B10R1.1 OCCc1ccc(cc1)O 271570a_203496583355_100000766406 [1,1,0,0,0,0|0,0,1]=3 1387 B10R1.1 OCCc1ccc(cn1)O 271570a_203496583355_100012357577 [1,1,0,0,0,0|1,0,1]=4 1388 B10R1.1 OCCc1ccc(nc1)O 271570a_203496583355_100009880866 [1,1,0,0,0,0|1,0,1]=4 1389 B10R1.1 Oc1ccc(cc1)/C=C/Br 271570a_203496583355_200016255901 [1,1,0,0,0,0|1,0,1]=4 1390 B10R1.1 [13CH3]NCc1ccc(cc1)Br 2230a_100000174875_200025704644 [1,1,0,0,0,0|1,0,1]=4 1391 B10R1.1 [13CH3]NCc1ccc(cc1)Br 34a_100000174875_200025704644 [1,1,0,0,0,0|1,0,1]=4 1392 B10R1.1 [13CH3]NCc1ccc(cc1)Cl 2230a_100000174871_200025704644 [1,1,0,0,0,0|1,0,1]=4 1393 B10R1.1 [13CH3]NCc1ccc(cc1)Cl 34a_100000174871_200025704644 [1,1,0,0,0,0|1,0,1]=4 1394 B10R1.1 [13CH3]NCc1ccc(cc1)F 2230a_100000174882_200025704644 [1,1,0,0,0,0|1,0,1]=4 1395 B10R1.1 [13CH3]NCc1ccc(cc1)F 34a_100000174882_200025704644 [1,1,0,0,0,0|1,0,1]=4 1396 B10R1.1 [13CH3]NCc1ccc(cc1)I 2230a_100016989417_200025704644 [1,1,0,0,0,0|1,0,1]=4 1397 B10R1.1 [13CH3]NCc1ccc(cc1)I 34a_100016989417_200025704644 [1,1,0,0,0,0|1,0,1]=4 1398 B10R1.1 [13CH3]NCc1ccc(cc1)O 34a_100000185549_200025704644 [1,1,0,0,0,0|1,0,1]=4 1399 B10R1.1 [13CH3]OCc1ccc(cc1)Br 34a_100000695286_200025704644 [1,1,0,0,0,0|2,0,0]=4 1400 B10R1.1 [13CH3]OCc1ccc(cc1)Cl 34a_100000211118_200025704644 [1,1,0,0,0,0|2,0,0]=4 1401 B10R1.1 [13CH3]OCc1ccc(cc1)Cl 7a_100000211118_200025704644 [1,1,0,0,0,0|2,0,0]=4 1402 B10R1.1 [13CH3]OCc1ccc(cc1)F 34a_100000210977_200025704644 [1,1,0,0,0,0|2,0,0]=4 1403 B10R1.1 [13CH3]OCc1ccc(cc1)F 7a_100000210977_200025704644 [1,1,0,0,0,0|2,0,0]=4 1404 B10R1.1 [13CH3]OCc1ccc(cc1)I 34a_100000690907_200025704644 [1,1,0,0,0,0|2,0,0]=4 1405 B10R1.1 [13CH3]OCc1ccc(cc1)I 7a_100000690907_200025704644 [1,1,0,0,0,0|2,0,0]=4 1406 B10R1.1 [13CH3]OCc1ccc(cc1)N 34a_100011215238_200025704644 [1,1,0,0,0,0|2,0,0]=4 1407 B10R1.1 [13CH3]SCc1ccc(cc1)Br 62a_100000189115_200025704644 [1,1,0,0,0,0|2,0,0]=4 1408 B10R1.1 [13CH3]SCc1ccc(cc1)Br 62a_200025704644_100000189115 [1,1,0,0,0,0|2,0,0]=4 1409 B10R1.1 [13CH3]SCc1ccc(cc1)Cl 62a_100000187161_200025704644 [1,1,0,0,0,0|2,0,0]=4 1410 B10R1.1 [13CH3]SCc1ccc(cc1)Cl 62a_200025704644_100000187161 [1,1,0,0,0,0|2,0,0]=4 1411 B10R1.1 [13CH3]SCc1ccc(cc1)F 62a_100000198546_200025704644 [1,1,0,0,0,0|2,0,0]=4 1412 B10R1.1 [13CH3]SCc1ccc(cc1)F 62a_200025704644_100000187164 [1,1,0,0,0,0|2,0,0]=4 1413 B10R1.1 [13CH3]SCc1ccc(cc1)I 62a_100000189116_200025704644 [1,1,0,0,0,0|2,0,0]=4 1414 B10R1.1 [13CH3]SCc1ccc(cc1)I 62a_200025704644_100000189116 [1,1,0,0,0,0|2,0,0]=4 1415 B10R1.4 C=C=Cc1ccccc1Br 271570a_100015277604_100000695589 [1,1,0,0,0,0|2,0,0]=4 1416 B10R1.4 C=C=Cc1ccccc1C 271570a_100015277604_100000210755 [1,1,0,0,0,0|2,0,0]=4 1417 B10R1.4 C=C=Cc1ccccc1Cl 271570a_100015277604_100000764095 [1,1,0,0,0,0|2,0,0]=4 1418 B10R1.4 C=C=Cc1ccccc1F 271570a_100015277604_100011215700 [1,1,0,0,0,0|2,0,0]=4 1419 B10R1.4 C=C=Cc1ccccc1N 271570a_100015277604_100000210017 [1,1,0,0,0,0|2,0,0]=4 1420 B10R1.4 C=C=Cc1ccccc1O 271570a_100015277604_100000739446 [1,1,0,0,0,0|2,0,0]=4 1421 B10R1.4 C=CCc1ccccc1O 271570a_203496583355_100009828059 [1,1,0,0,0,0|1,0,0]=3 1422 B10R1.4 CC=Cc1ccccc1Br 271570a_100016259895_100000695589 [1,1,0,0,0,0|1,0,1]=4 1423 B10R1.4 CC=Cc1ccccc1C 271570a_100016259895_100000210755 [1,1,0,0,0,0|1,0,1]=4 1424 B10R1.4 CC=Cc1ccccc1Cl 271570a_100016259895_100000764095 [1,1,0,0,0,0|1,0,1]=4 1425 B10R1.4 CC=Cc1ccccc1F 271570a_100016259895_100011215700 [1,1,0,0,0,0|1,0,1]=4 1426 B10R1.4 CC=Cc1ccccc1N 271570a_100016259895_100000210017 [1,1,0,0,0,0|1,0,1]=4 1427 B10R1.4 CC=Cc1ccccc1O 271570a_100016259895_100000739446 [1,1,0,0,0,0|1,0,1]=4 1428 B10R1.4 CNCc1ccccc1Br 207a_100102657272_100000211189 [1,1,0,0,0,0|1,0,1]=4 1429 B10R1.4 CNCc1ccccc1Br 2230a_100000689332_200000210301 [1,1,0,0,0,0|1,0,1]=4 1430 B10R1.4 CNCc1ccccc1Br 2230a_106832991635_100000184730 [1,1,0,0,0,0|1,0,1]=4 1431 B10R1.4 CNCc1ccccc1Br 26a_100102657272_100000181306 [1,1,0,0,0,0|1,0,1]=4 1432 B10R1.4 CNCc1ccccc1Br 270004a_106832991635_100000211189 [1,1,0,0,0,0|1,0,1]=4 1433 B10R1.4 CNCc1ccccc1Br 34a_100000689332_200000210301 [1,1,0,0,0,0|1,0,1]=4 1434 B10R1.4 CNCc1ccccc1Br 34a_100102657272_100000184730 [1,1,0,0,0,0|1,0,1]=4 1435 B10R1.4 CNCc1ccccc1Br 7a_106832991635_100000184730 [1,1,0,0,0,0|1,0,1]=4 1436 B10R1.4 CNCc1ccccc1C 207a_100102657272_100000211143 [1,1,0,0,0,0|1,0,1]=4 1437 B10R1.4 CNCc1ccccc1C 2230a_106832991635_100000211839 [1,1,0,0,0,0|1,0,1]=4 1438 B10R1.4 CNCc1ccccc1C 270004a_106832991635_100000211143 [1,1,0,0,0,0|1,0,1]=4 1439 B10R1.4 CNCc1ccccc1C 34a_100000174972_200000210301 [1,1,0,0,0,0|1,0,1]=4 1440 B10R1.4 CNCc1ccccc1C 34a_100102657272_100000211839 [1,1,0,0,0,0|1,0,1]=4 1441 B10R1.4 CNCc1ccccc1C 7a_106832991635_100000211839 [1,1,0,0,0,0|1,0,1]=4 1442 B10R1.4 CNCc1ccccc1Cl 207a_100102657272_100000210073 [1,1,0,0,0,0|1,0,1]=4 1443 B10R1.4 CNCc1ccccc1Cl 2230a_100000174879_200000210301 [1,1,0,0,0,0|1,0,1]=4 1444 B10R1.4 CNCc1ccccc1Cl 2230a_106832991635_100000187162 [1,1,0,0,0,0|1,0,1]=4 1445 B10R1.4 CNCc1ccccc1Cl 26a_100102657272_100000210172 [1,1,0,0,0,0|1,0,1]=4 1446 B10R1.4 CNCc1ccccc1Cl 270004a_106832991635_100000210073 [1,1,0,0,0,0|1,0,1]=4 1447 B10R1.4 CNCc1ccccc1Cl 34a_100000174879_200000210301 [1,1,0,0,0,0|1,0,1]=4 1448 B10R1.4 CNCc1ccccc1Cl 34a_100102657272_100000187162 [1,1,0,0,0,0|1,0,1]=4 1449 B10R1.4 CNCc1ccccc1Cl 7a_106832991635_100000187162 [1,1,0,0,0,0|1,0,1]=4 1450 B10R1.4 CNCc1ccccc1F 207a_100102657272_100000210811 [1,1,0,0,0,0|1,0,1]=4 1451 B10R1.4 CNCc1ccccc1F 2230a_106832991635_100000211605 [1,1,0,0,0,0|1,0,1]=4 1452 B10R1.4 CNCc1ccccc1F 270004a_106832991635_100000210811 [1,1,0,0,0,0|1,0,1]=4 1453 B10R1.4 CNCc1ccccc1F 34a_100000174869_200000210301 [1,1,0,0,0,0|1,0,1]=4 1454 B10R1.4 CNCc1ccccc1F 34a_100102657272_100000211605 [1,1,0,0,0,0|1,0,1]=4 1455 B10R1.4 CNCc1ccccc1F 7a_106832991635_100000211605 [1,1,0,0,0,0|1,0,1]=4 1456 B10R1.4 CNCc1ccccc1I 207a_100102657272_100000010305 [1,1,0,0,0,0|1,0,1]=4 1457 B10R1.4 CNCc1ccccc1I 2230a_106832991635_100011215278 [1,1,0,0,0,0|1,0,1]=4 1458 B10R1.4 CNCc1ccccc1I 270004a_106832991635_100000010305 [1,1,0,0,0,0|1,0,1]=4 1459 B10R1.4 CNCc1ccccc1I 34a_100102657272_100011215278 [1,1,0,0,0,0|1,0,1]=4 1460 B10R1.4 CNCc1ccccc1I 7a_106832991635_100011215278 [1,1,0,0,0,0|1,0,1]=4 1461 B10R1.4 CNCc1ccccc1O 271570a_203496583355_100000184654 [1,1,0,0,0,0|1,0,1]=4 1462 B10R1.4 CNCc1ccccc1O 34a_100000185550_200000210301 [1,1,0,0,0,0|1,0,1]=4 1463 B10R1.4 COCc1ccccc1Br 34a_100000756307_200000210301 [1,1,0,0,0,0|2,0,0]=4 1464 B10R1.4 COCc1ccccc1Br 34a_100138415774_100000184730 [1,1,0,0,0,0|2,0,0]=4 1465 B10R1.4 COCc1ccccc1Br 7a_100000756307_200000210301 [1,1,0,0,0,0|2,0,0]=4 1466 B10R1.4 COCc1ccccc1C 34a_100000698903_200000210301 [1,1,0,0,0,0|2,0,0]=4 1467 B10R1.4 COCc1ccccc1C 34a_100138415774_100000211839 [1,1,0,0,0,0|2,0,0]=4 1468 B10R1.4 COCc1ccccc1C 7a_100000698903_200000210301 [1,1,0,0,0,0|2,0,0]=4 1469 B10R1.4 COCc1ccccc1Cl 34a_100000210847_200000210301 [1,1,0,0,0,0|2,0,0]=4 1470 B10R1.4 COCc1ccccc1Cl 34a_100138415774_100000187162 [1,1,0,0,0,0|2,0,0]=4 1471 B10R1.4 COCc1ccccc1Cl 7a_100000210847_200000210301 [1,1,0,0,0,0|2,0,0]=4 1472 B10R1.4 COCc1ccccc1F 34a_100000211962_200000210301 [1,1,0,0,0,0|2,0,0]=4 1473 B10R1.4 COCc1ccccc1F 34a_100138415774_100000211605 [1,1,0,0,0,0|2,0,0]=4 1474 B10R1.4 COCc1ccccc1F 7a_100000211962_200000210301 [1,1,0,0,0,0|2,0,0]=4 1475 B10R1.4 COCc1ccccc1I 34a_100000187465_200000210301 [1,1,0,0,0,0|2,0,0]=4 1476 B10R1.4 COCc1ccccc1I 34a_100138415774_100011215278 [1,1,0,0,0,0|2,0,0]=4 1477 B10R1.4 COCc1ccccc1I 7a_100000187465_200000210301 [1,1,0,0,0,0|2,0,0]=4 1478 B10R1.4 COCc1ccccc1N 34a_100000212039_200000210301 [1,1,0,0,0,0|2,0,0]=4 1479 B10R1.4 COCc1ccccc1O 271570a_203496583355_100011493684 [1,1,0,0,0,0|2,0,0]=4 1480 B10R1.4 CSCc1ccccc1Br 62a_100000184730_200000210301 [1,1,0,0,0,0|2,0,0]=4 1481 B10R1.4 CSCc1ccccc1Br 62a_200000210301_100000184730 [1,1,0,0,0,0|2,0,0]=4 1482 B10R1.4 CSCc1ccccc1C 62a_100000211839_200000210301 [1,1,0,0,0,0|2,0,0]=4 1483 B10R1.4 CSCc1ccccc1C 62a_200000210301_100000211839 [1,1,0,0,0,0|2,0,0]=4 1484 B10R1.4 CSCc1ccccc1Cl 62a_100000187162_200000210301 [1,1,0,0,0,0|2,0,0]=4 1485 B10R1.4 CSCc1ccccc1Cl 62a_200000210301_100000187162 [1,1,0,0,0,0|2,0,0]=4 1486 B10R1.4 CSCc1ccccc1F 62a_100000211605_200000210301 [1,1,0,0,0,0|2,0,0]=4 1487 B10R1.4 CSCc1ccccc1F 62a_200000210301_100000211605 [1,1,0,0,0,0|2,0,0]=4 1488 B10R1.4 CSCc1ccccc1I 62a_100011216222_200000210301 [1,1,0,0,0,0|2,0,0]=4 1489 B10R1.4 CSCc1ccccc1I 62a_200000210301_100011216222 [1,1,0,0,0,0|2,0,0]=4 1490 B10R1.4 CSCc1ccccc1O 271570a_203496583355_100000148299 [1,1,0,0,0,0|2,0,0]=4 1491 B10R1.4 Cc1ccccc1CN[13CH3] 34a_100000174972_200025704644 [1,1,0,0,0,0|1,0,1]=4 1492 B10R1.4 Cc1ccccc1CO[13CH3] 34a_100000698903_200025704644 [1,1,0,0,0,0|2,0,0]=4 1493 B10R1.4 Cc1ccccc1CO[13CH3] 7a_100000698903_200025704644 [1,1,0,0,0,0|2,0,0]=4 1494 B10R1.4 Cc1ccccc1CS[13CH3] 62a_100000211839_200025704644 [1,1,0,0,0,0|2,0,0]=4 1495 B10R1.4 Cc1ccccc1CS[13CH3] 62a_200025704644_100000211839 [1,1,0,0,0,0|2,0,0]=4 1496 B10R1.4 N#CCc1ccccc1O 271570a_203496583355_100000033512 [1,1,0,0,0,0|0,0,2]=4 1497 B10R1.4 NCCc1ccccc1O 271570a_203496583355_100000747383 [1,1,0,0,0,0|0,0,2]=4 1498 B10R1.4 NNCc1ccccc1O 271570a_203496583355_200016993956 [1,1,0,0,0,0|1,0,1]=4 1499 B10R1.4 OCCc1ccccc1O 271570a_203496583355_100000731337 [1,1,0,0,0,0|0,0,1]=3 1500 B10R1.4 [13CH3]NCc1ccccc1Br 2230a_100000689332_200025704644 [1,1,0,0,0,0|1,0,1]=4 1501 B10R1.4 [13CH3]NCc1ccccc1Br 34a_100000689332_200025704644 [1,1,0,0,0,0|1,0,1]=4 1502 B10R1.4 [13CH3]NCc1ccccc1Cl 2230a_100000174879_200025704644 [1,1,0,0,0,0|1,0,1]=4 1503 B10R1.4 [13CH3]NCc1ccccc1Cl 34a_100000174879_200025704644 [1,1,0,0,0,0|1,0,1]=4 1504 B10R1.4 [13CH3]NCc1ccccc1F 34a_100000174869_200025704644 [1,1,0,0,0,0|1,0,1]=4 1505 B10R1.4 [13CH3]NCc1ccccc1O 34a_100000185550_200025704644 [1,1,0,0,0,0|1,0,1]=4 1506 B10R1.4 [13CH3]OCc1ccccc1Br 34a_100000756307_200025704644 [1,1,0,0,0,0|2,0,0]=4 1507 B10R1.4 [13CH3]OCc1ccccc1Br 7a_100000756307_200025704644 [1,1,0,0,0,0|2,0,0]=4 1508 B10R1.4 [13CH3]OCc1ccccc1Cl 34a_100000210847_200025704644 [1,1,0,0,0,0|2,0,0]=4 1509 B10R1.4 [13CH3]OCc1ccccc1Cl 7a_100000210847_200025704644 [1,1,0,0,0,0|2,0,0]=4 1510 B10R1.4 [13CH3]OCc1ccccc1F 34a_100000211962_200025704644 [1,1,0,0,0,0|2,0,0]=4 1511 B10R1.4 [13CH3]OCc1ccccc1F 7a_100000211962_200025704644 [1,1,0,0,0,0|2,0,0]=4 1512 B10R1.4 [13CH3]OCc1ccccc1I 34a_100000187465_200025704644 [1,1,0,0,0,0|2,0,0]=4 1513 B10R1.4 [13CH3]OCc1ccccc1I 7a_100000187465_200025704644 [1,1,0,0,0,0|2,0,0]=4 1514 B10R1.4 [13CH3]OCc1ccccc1N 34a_100000212039_200025704644 [1,1,0,0,0,0|2,0,0]=4 1515 B10R1.4 [13CH3]SCc1ccccc1Br 62a_100000184730_200025704644 [1,1,0,0,0,0|2,0,0]=4 1516 B10R1.4 [13CH3]SCc1ccccc1Br 62a_200025704644_100000184730 [1,1,0,0,0,0|2,0,0]=4 1517 B10R1.4 [13CH3]SCc1ccccc1Cl 62a_100000187162_200025704644 [1,1,0,0,0,0|2,0,0]=4 1518 B10R1.4 [13CH3]SCc1ccccc1Cl 62a_200025704644_100000187162 [1,1,0,0,0,0|2,0,0]=4 1519 B10R1.4 [13CH3]SCc1ccccc1F 62a_100000211605_200025704644 [1,1,0,0,0,0|2,0,0]=4 1520 B10R1.4 [13CH3]SCc1ccccc1F 62a_200025704644_100000211605 [1,1,0,0,0,0|2,0,0]=4 1521 B10R1.4 [13CH3]SCc1ccccc1I 62a_100011216222_200025704644 [1,1,0,0,0,0|2,0,0]=4 1522 B10R1.4 [13CH3]SCc1ccccc1I 62a_200025704644_100011216222 [1,1,0,0,0,0|2,0,0]=4 1523 B10R1.10 C=C=Cc1cccc(c1)Br 271570a_100015277604_100000691529 [1,1,0,0,0,0|2,0,0]=4 1524 B10R1.10 C=C=Cc1cccc(c1)C 271570a_100015277604_100011215228 [1,1,0,0,0,0|2,0,0]=4 1525 B10R1.10 C=C=Cc1cccc(c1)Cl 271570a_100015277604_100000699651 [1,1,0,0,0,0|2,0,0]=4 1526 B10R1.10 C=C=Cc1cccc(c1)F 271570a_100015277604_100000685547 [1,1,0,0,0,0|2,0,0]=4 1527 B10R1.10 C=C=Cc1cccc(c1)N 271570a_100015277604_100000210019 [1,1,0,0,0,0|2,0,0]=4 1528 B10R1.10 C=C=Cc1cccc(c1)O 271570a_100015277604_100000211634 [1,1,0,0,0,0|2,0,0]=4 1529 B10R1.10 C=C=Cc1cccc(c1)[S] 271570a_100015277604_114929384022 [1,1,0,0,0,0|2,0,0]=4 1530 B10R1.10 C=CCc1cccc(c1)O 271570a_203496583355_100009816576 [1,1,0,0,0,0|1,0,0]=3 1531 B10R1.10 CC=Cc1cccc(c1)Br 271570a_100016259895_100000691529 [1,1,0,0,0,0|1,0,1]=4 1532 B10R1.10 CC=Cc1cccc(c1)C 271570a_100016259895_100011215228 [1,1,0,0,0,0|1,0,1]=4 1533 B10R1.10 CC=Cc1cccc(c1)Cl 271570a_100016259895_100000699651 [1,1,0,0,0,0|1,0,1]=4 1534 B10R1.10 CC=Cc1cccc(c1)F 271570a_100016259895_100000685547 [1,1,0,0,0,0|1,0,1]=4 1535 B10R1.10 CC=Cc1cccc(c1)N 271570a_100016259895_100000210019 [1,1,0,0,0,0|1,0,1]=4 1536 B10R1.10 CC=Cc1cccc(c1)O 271570a_100016259895_100000211634 [1,1,0,0,0,0|1,0,1]=4 1537 B10R1.10 CC=Cc1cccc(c1)[S] 271570a_100016259895_114929384022 [1,1,0,0,0,0|1,0,1]=4 1538 B10R1.10 CCCc1cccc(c1)O 271570a_203496583355_100000694964 [1,1,0,0,0,0|1,0,1]=4 1539 B10R1.10 CNCc1cccc(c1)Br 207a_100102657272_100000210085 [1,1,0,0,0,0|1,0,1]=4 1540 B10R1.10 CNCc1cccc(c1)Br 2230a_100000174977_200000210301 [1,1,0,0,0,0|1,0,1]=4 1541 B10R1.10 CNCc1cccc(c1)Br 2230a_106832991635_100000698116 [1,1,0,0,0,0|1,0,1]=4 1542 B10R1.10 CNCc1cccc(c1)Br 26a_100102657272_100000210342 [1,1,0,0,0,0|1,0,1]=4 1543 B10R1.10 CNCc1cccc(c1)Br 270004a_106832991635_100000210085 [1,1,0,0,0,0|1,0,1]=4 1544 B10R1.10 CNCc1cccc(c1)Br 34a_100000174977_200000210301 [1,1,0,0,0,0|1,0,1]=4 1545 B10R1.10 CNCc1cccc(c1)Br 34a_100102657272_100000698116 [1,1,0,0,0,0|1,0,1]=4 1546 B10R1.10 CNCc1cccc(c1)Br 7a_106832991635_100000211773 [1,1,0,0,0,0|1,0,1]=4 1547 B10R1.10 CNCc1cccc(c1)C 207a_100102657272_100000211157 [1,1,0,0,0,0|1,0,1]=4 1548 B10R1.10 CNCc1cccc(c1)C 2230a_100000185548_200000210301 [1,1,0,0,0,0|1,0,1]=4 1549 B10R1.10 CNCc1cccc(c1)C 2230a_106832991635_100000211840 [1,1,0,0,0,0|1,0,1]=4 1550 B10R1.10 CNCc1cccc(c1)C 270004a_106832991635_100000211157 [1,1,0,0,0,0|1,0,1]=4 1551 B10R1.10 CNCc1cccc(c1)C 34a_100000185548_200000210301 [1,1,0,0,0,0|1,0,1]=4 1552 B10R1.10 CNCc1cccc(c1)C 34a_100102657272_100000211840 [1,1,0,0,0,0|1,0,1]=4 1553 B10R1.10 CNCc1cccc(c1)C 7a_106832991635_100000211840 [1,1,0,0,0,0|1,0,1]=4 1554 B10R1.10 CNCc1cccc(c1)Cl 207a_100102657272_100000210801 [1,1,0,0,0,0|1,0,1]=4 1555 B10R1.10 CNCc1cccc(c1)Cl 2230a_100000174878_200000210301 [1,1,0,0,0,0|1,0,1]=4 1556 B10R1.10 CNCc1cccc(c1)Cl 2230a_106832991635_100000181238 [1,1,0,0,0,0|1,0,1]=4 1557 B10R1.10 CNCc1cccc(c1)Cl 270004a_106832991635_100000210801 [1,1,0,0,0,0|1,0,1]=4 1558 B10R1.10 CNCc1cccc(c1)Cl 34a_100000174878_200000210301 [1,1,0,0,0,0|1,0,1]=4 1559 B10R1.10 CNCc1cccc(c1)Cl 34a_100102657272_100000187163 [1,1,0,0,0,0|1,0,1]=4 1560 B10R1.10 CNCc1cccc(c1)Cl 7a_106832991635_100000187163 [1,1,0,0,0,0|1,0,1]=4 1561 B10R1.10 CNCc1cccc(c1)F 207a_100102657272_100000210812 [1,1,0,0,0,0|1,0,1]=4 1562 B10R1.10 CNCc1cccc(c1)F 2230a_100000174948_200000210301 [1,1,0,0,0,0|1,0,1]=4 1563 B10R1.10 CNCc1cccc(c1)F 2230a_106832991635_100000230114 [1,1,0,0,0,0|1,0,1]=4 1564 B10R1.10 CNCc1cccc(c1)F 270004a_106832991635_100000210812 [1,1,0,0,0,0|1,0,1]=4 1565 B10R1.10 CNCc1cccc(c1)F 34a_100000174948_200000210301 [1,1,0,0,0,0|1,0,1]=4 1566 B10R1.10 CNCc1cccc(c1)F 34a_100102657272_100000187166 [1,1,0,0,0,0|1,0,1]=4 1567 B10R1.10 CNCc1cccc(c1)F 7a_106832991635_100000230114 [1,1,0,0,0,0|1,0,1]=4 1568 B10R1.10 CNCc1cccc(c1)I 207a_100102657272_100000014684 [1,1,0,0,0,0|1,0,1]=4 1569 B10R1.10 CNCc1cccc(c1)I 2230a_100000106179_200000210301 [1,1,0,0,0,0|1,0,1]=4 1570 B10R1.10 CNCc1cccc(c1)I 2230a_106832991635_100011218688 [1,1,0,0,0,0|1,0,1]=4 1571 B10R1.10 CNCc1cccc(c1)I 270004a_106832991635_100000014684 [1,1,0,0,0,0|1,0,1]=4 1572 B10R1.10 CNCc1cccc(c1)I 34a_100000106179_200000210301 [1,1,0,0,0,0|1,0,1]=4 1573 B10R1.10 CNCc1cccc(c1)I 34a_100102657272_100011218688 [1,1,0,0,0,0|1,0,1]=4 1574 B10R1.10 CNCc1cccc(c1)I 7a_106832991635_100011218688 [1,1,0,0,0,0|1,0,1]=4 1575 B10R1.10 CNCc1cccc(c1)O 207a_100102657272_100000188321 [1,1,0,0,0,0|1,0,1]=4 1576 B10R1.10 CNCc1cccc(c1)O 2230a_100000743036_200000210301 [1,1,0,0,0,0|1,0,1]=4 1577 B10R1.10 CNCc1cccc(c1)O 2230a_106832991635_100011660834 [1,1,0,0,0,0|1,0,1]=4 1578 B10R1.10 CNCc1cccc(c1)O 270004a_106832991635_100000188321 [1,1,0,0,0,0|1,0,1]=4 1579 B10R1.10 CNCc1cccc(c1)O 271570a_203496583355_100000187585 [1,1,0,0,0,0|1,0,1]=4 1580 B10R1.10 CNCc1cccc(c1)O 34a_100000743036_200000210301 [1,1,0,0,0,0|1,0,1]=4 1581 B10R1.10 CNCc1cccc(c1)O 34a_100102657272_100011660834 [1,1,0,0,0,0|1,0,1]=4 1582 B10R1.10 CNCc1cccc(c1)O 7a_106832991635_100000084143 [1,1,0,0,0,0|1,0,1]=4 1583 B10R1.10 COCc1cccc(c1)Br 34a_100000687537_200000210301 [1,1,0,0,0,0|2,0,0]=4 1584 B10R1.10 COCc1cccc(c1)Br 34a_100138415774_100000698116 [1,1,0,0,0,0|2,0,0]=4 1585 B10R1.10 COCc1cccc(c1)Br 7a_100000687537_200000210301 [1,1,0,0,0,0|2,0,0]=4 1586 B10R1.10 COCc1cccc(c1)C 34a_100011217746_200000210301 [1,1,0,0,0,0|2,0,0]=4 1587 B10R1.10 COCc1cccc(c1)C 34a_100138415774_100000211840 [1,1,0,0,0,0|2,0,0]=4 1588 B10R1.10 COCc1cccc(c1)C 7a_100011217746_200000210301 [1,1,0,0,0,0|2,0,0]=4 1589 B10R1.10 COCc1cccc(c1)Cl 34a_100000241301_200000210301 [1,1,0,0,0,0|2,0,0]=4 1590 B10R1.10 COCc1cccc(c1)Cl 34a_100138415774_100000187163 [1,1,0,0,0,0|2,0,0]=4 1591 B10R1.10 COCc1cccc(c1)Cl 7a_100000241301_200000210301 [1,1,0,0,0,0|2,0,0]=4 1592 B10R1.10 COCc1cccc(c1)F 34a_100000210976_200000210301 [1,1,0,0,0,0|2,0,0]=4 1593 B10R1.10 COCc1cccc(c1)F 34a_100138415774_100000187166 [1,1,0,0,0,0|2,0,0]=4 1594 B10R1.10 COCc1cccc(c1)F 7a_100000210976_200000210301 [1,1,0,0,0,0|2,0,0]=4 1595 B10R1.10 COCc1cccc(c1)I 34a_100011215336_200000210301 [1,1,0,0,0,0|2,0,0]=4 1596 B10R1.10 COCc1cccc(c1)I 34a_100138415774_100011218688 [1,1,0,0,0,0|2,0,0]=4 1597 B10R1.10 COCc1cccc(c1)I 7a_100011215336_200000210301 [1,1,0,0,0,0|2,0,0]=4 1598 B10R1.10 COCc1cccc(c1)N 34a_100000211919_200000210301 [1,1,0,0,0,0|2,0,0]=4 1599 B10R1.10 COCc1cccc(c1)O 271570a_203496583355_100011493687 [1,1,0,0,0,0|2,0,0]=4 1600 B10R1.10 COCc1cccc(c1)O 34a_100138415774_100011660834 [1,1,0,0,0,0|2,0,0]=4 1601 B10R1.10 CSCc1cccc(c1)Br 62a_100000211773_200000210301 [1,1,0,0,0,0|2,0,0]=4 1602 B10R1.10 CSCc1cccc(c1)Br 62a_200000210301_100000211773 [1,1,0,0,0,0|2,0,0]=4 1603 B10R1.10 CSCc1cccc(c1)C 62a_100000211840_200000210301 [1,1,0,0,0,0|2,0,0]=4 1604 B10R1.10 CSCc1cccc(c1)C 62a_200000210301_100000211840 [1,1,0,0,0,0|2,0,0]=4 1605 B10R1.10 CSCc1cccc(c1)Cl 62a_100000187163_200000210301 [1,1,0,0,0,0|2,0,0]=4 1606 B10R1.10 CSCc1cccc(c1)Cl 62a_200000210301_100000187163 [1,1,0,0,0,0|2,0,0]=4 1607 B10R1.10 CSCc1cccc(c1)F 62a_100000230114_200000210301 [1,1,0,0,0,0|2,0,0]=4 1608 B10R1.10 CSCc1cccc(c1)F 62a_200000210301_100000230114 [1,1,0,0,0,0|2,0,0]=4 1609 B10R1.10 CSCc1cccc(c1)I 62a_100011218688_200000210301 [1,1,0,0,0,0|2,0,0]=4 1610 B10R1.10 CSCc1cccc(c1)I 62a_200000210301_100011218688 [1,1,0,0,0,0|2,0,0]=4 1611 B10R1.10 CSCc1cccc(c1)O 62a_100011660834_200000210301 [1,1,0,0,0,0|2,0,0]=4 1612 B10R1.10 CSCc1cccc(c1)O 62a_200000210301_100011660834 [1,1,0,0,0,0|2,0,0]=4 1613 B10R1.10 Cc1cccc(c1)CN[13CH3] 2230a_100000185548_200025704644 [1,1,0,0,0,0|1,0,1]=4 1614 B10R1.10 Cc1cccc(c1)CN[13CH3] 34a_100000185548_200025704644 [1,1,0,0,0,0|1,0,1]=4 1615 B10R1.10 Cc1cccc(c1)CO[13CH3] 34a_100011217746_200025704644 [1,1,0,0,0,0|2,0,0]=4 1616 B10R1.10 Cc1cccc(c1)CO[13CH3] 7a_100011217746_200025704644 [1,1,0,0,0,0|2,0,0]=4 1617 B10R1.10 Cc1cccc(c1)CS[13CH3] 62a_100000211840_200025704644 [1,1,0,0,0,0|2,0,0]=4 1618 B10R1.10 Cc1cccc(c1)CS[13CH3] 62a_200025704644_100000211840 [1,1,0,0,0,0|2,0,0]=4 1619 B10R1.10 N#CCc1cccc(c1)O 271570a_203496583355_100000034040 [1,1,0,0,0,0|0,0,2]=4 1620 B10R1.10 NCCc1cccc(c1)O 271570a_203496583355_100011207229 [1,1,0,0,0,0|0,0,2]=4 1621 B10R1.10 NNCc1cccc(c1)O 271570a_203496583355_100000686200 [1,1,0,0,0,0|1,0,1]=4 1622 B10R1.10 O=CCc1cccc(c1)O 271570a_203496583355_200000698211 [1,1,0,0,0,0|0,0,1]=3 1623 B10R1.10 OCCc1cccc(c1)O 271570a_203496583355_100011217444 [1,1,0,0,0,0|0,0,1]=3 1624 B10R1.10 OCCc1cccc(n1)O 271570a_203496583355_100010221043 [1,1,0,0,0,0|1,0,1]=4 1625 B10R1.10 [13CH3]NCc1cccc(c1)Br 2230a_100000174977_200025704644 [1,1,0,0,0,0|1,0,1]=4 1626 B10R1.10 [13CH3]NCc1cccc(c1)Br 34a_100000174977_200025704644 [1,1,0,0,0,0|1,0,1]=4 1627 B10R1.10 [13CH3]NCc1cccc(c1)Cl 2230a_100000174878_200025704644 [1,1,0,0,0,0|1,0,1]=4 1628 B10R1.10 [13CH3]NCc1cccc(c1)Cl 34a_100000174878_200025704644 [1,1,0,0,0,0|1,0,1]=4 1629 B10R1.10 [13CH3]NCc1cccc(c1)F 2230a_100000174948_200025704644 [1,1,0,0,0,0|1,0,1]=4 1630 B10R1.10 [13CH3]NCc1cccc(c1)F 34a_100000174948_200025704644 [1,1,0,0,0,0|1,0,1]=4 1631 B10R1.10 [13CH3]NCc1cccc(c1)I 2230a_100000106179_200025704644 [1,1,0,0,0,0|1,0,1]=4 1632 B10R1.10 [13CH3]NCc1cccc(c1)I 34a_100000106179_200025704644 [1,1,0,0,0,0|1,0,1]=4 1633 B10R1.10 [13CH3]NCc1cccc(c1)O 2230a_100000743036_200025704644 [1,1,0,0,0,0|1,0,1]=4 1634 B10R1.10 [13CH3]NCc1cccc(c1)O 34a_100000743036_200025704644 [1,1,0,0,0,0|1,0,1]=4 1635 B10R1.10 [13CH3]OCc1cccc(c1)Br 34a_100000687537_200025704644 [1,1,0,0,0,0|2,0,0]=4 1636 B10R1.10 [13CH3]OCc1cccc(c1)Br 7a_100000687537_200025704644 [1,1,0,0,0,0|2,0,0]=4 1637 B10R1.10 [13CH3]OCc1cccc(c1)Cl 34a_100000241301_200025704644 [1,1,0,0,0,0|2,0,0]=4 1638 B10R1.10 [13CH3]OCc1cccc(c1)Cl 7a_100000241301_200025704644 [1,1,0,0,0,0|2,0,0]=4 1639 B10R1.10 [13CH3]OCc1cccc(c1)F 34a_100000210976_200025704644 [1,1,0,0,0,0|2,0,0]=4 1640 B10R1.10 [13CH3]OCc1cccc(c1)F 7a_100000210976_200025704644 [1,1,0,0,0,0|2,0,0]=4 1641 B10R1.10 [13CH3]OCc1cccc(c1)I 34a_100011215336_200025704644 [1,1,0,0,0,0|2,0,0]=4 1642 B10R1.10 [13CH3]OCc1cccc(c1)I 7a_100011215336_200025704644 [1,1,0,0,0,0|2,0,0]=4 1643 B10R1.10 [13CH3]OCc1cccc(c1)N 34a_100000211919_200025704644 [1,1,0,0,0,0|2,0,0]=4 1644 B10R1.10 [13CH3]SCc1cccc(c1)Br 62a_100000211773_200025704644 [1,1,0,0,0,0|2,0,0]=4 1645 B10R1.10 [13CH3]SCc1cccc(c1)Br 62a_200025704644_100000211773 [1,1,0,0,0,0|2,0,0]=4 1646 B10R1.10 [13CH3]SCc1cccc(c1)Cl 62a_100000187163_200025704644 [1,1,0,0,0,0|2,0,0]=4 1647 B10R1.10 [13CH3]SCc1cccc(c1)Cl 62a_200025704644_100000187163 [1,1,0,0,0,0|2,0,0]=4 1648 B10R1.10 [13CH3]SCc1cccc(c1)F 62a_100000230114_200025704644 [1,1,0,0,0,0|2,0,0]=4 1649 B10R1.10 [13CH3]SCc1cccc(c1)F 62a_200025704644_100000230114 [1,1,0,0,0,0|2,0,0]=4 1650 B10R1.10 [13CH3]SCc1cccc(c1)I 62a_100011218688_200025704644 [1,1,0,0,0,0|2,0,0]=4 1651 B10R1.10 [13CH3]SCc1cccc(c1)I 62a_200025704644_100011218688 [1,1,0,0,0,0|2,0,0]=4 1652 B10R1.10 [13CH3]SCc1cccc(c1)O 62a_100011660834_200025704644 [1,1,0,0,0,0|2,0,0]=4 1653 B10R1.10 [13CH3]SCc1cccc(c1)O 62a_200025704644_100011660834 [1,1,0,0,0,0|2,0,0]=4 1654 B10R1.15 CC(S[13CH3])c1ccccc1 62a_100000230085_200025704644 [1,1,0,0,0,0|2,0,0]=4 1655 B10R1.15 CC(S[13CH3])c1ccccc1 62a_200025704644_100000230085 [1,1,0,0,0,0|2,0,0]=4 1656 B10R1.15 CCC(=O)c1ccccc1 1458a_100000185807_100000210202 [1,1,0,0,0,0|2,0,0]=4 1657 B10R1.15 CNC(=O)c1ccccc1 11a_106832991635_100000185807 [1,1,0,0,0,0|1,0,1]=4 1658 B10R1.15 CNC(=O)c1ccccc1 1626a_100102657272_100000185807 [1,1,0,0,0,0|1,0,1]=4 1659 B10R1.15 CNC(=O)c1ccccc1 240690a_100102657272_100000185807 [1,1,0,0,0,0|1,0,1]=4 1660 B10R1.15 CNC(=O)c1ccccc1 527a_100102657272_100000185807 [1,1,0,0,0,0|1,0,1]=4 1661 B10R1.15 CNC(C)c1ccccc1 2230a_106832991635_100000230085 [1,1,0,0,0,0|1,0,1]=4 1662 B10R1.15 CNC(C)c1ccccc1 269862a_106832991636_100000185851 [1,1,0,0,0,0|1,0,1]=4 1663 B10R1.15 CNC(C)c1ccccc1 34a_100102657272_100000211855 [1,1,0,0,0,0|1,0,1]=4 1664 B10R1.15 CNC(C)c1ccccc1 7a_106832991635_100000230085 [1,1,0,0,0,0|1,0,1]=4 1665 B10R1.15 CN[C@H](C)c1ccccc1 2230a_100000751104_200000210301 [1,1,0,0,0,0|1,0,1]=4 1666 B10R1.15 COC(C)c1ccccc1 34a_100138415774_100000211855 [1,1,0,0,0,0|2,0,0]=4 1667 B10R1.15 CO[C@H](C)c1ccccc1 34a_100000761318_200000210301 [1,1,0,0,0,0|2,0,0]=4 1668 B10R1.15 CO[C@H](C)c1ccccc1 7a_100000761318_200000210301 [1,1,0,0,0,0|2,0,0]=4 1669 B10R1.15 CSC(C)c1ccccc1 62a_100000230085_200000210301 [1,1,0,0,0,0|2,0,0]=4 1670 B10R1.15 CSC(C)c1ccccc1 62a_200000210301_100000230085 [1,1,0,0,0,0|2,0,0]=4 1671 B10R1.15 C[C@@H](N[13CH3])c1ccccc1 2230a_100000751104_200025704644 [1,1,0,0,0,0|1,0,1]=4 1672 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 34a_100000761318_200025704644 [1,1,0,0,0,0|2,0,0]=4 1673 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 7a_100000761318_200025704644 [1,1,0,0,0,0|2,0,0]=4 1674 B10R1.15 O=C(CF)c1ccccc1 1458a_100000185807_100015361967 [1,1,0,0,0,0|2,0,0]=4 1675 B10R1.18 CC(=Cc1ccccc1)C 271570a_100102525489_100000210277 [1,1,0,0,0,0|1,0,1]=4 1676 B10R1.18 CC(=O)C[n+]1ccccc1 1458a_200000086051_200000210301 [1,1,0,0,0,0|1,0,1]=4 1677 B10R1.18 CC(=O)Cc1ccccc1 1458a_100000070787_100015291786 [1,1,0,0,0,0|0,0,1]=3 1678 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000070787_100000721315 [1,1,0,0,0,0|1,0,1]=4 1679 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000233486_200000210301 [1,1,0,0,0,0|1,0,1]=4 1680 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000070787_100000733263 [1,1,0,0,0,0|1,0,1]=4 1681 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000737805_200000210301 [1,1,0,0,0,0|1,0,1]=4 1682 B10R1.18 CC(=O)Cc1ccncc1 1458a_100000070787_100000705612 [1,1,0,0,0,0|1,0,1]=4 1683 B10R1.18 CC(=O)Nc1ccccc1 11a_100000106764_100015343762 [1,1,0,0,0,0|1,0,1]=4 1684 B10R1.18 CC(=O)Nc1ccccc1 1626a_100000106764_100015343762 [1,1,0,0,0,0|1,0,1]=4 1685 B10R1.18 CC(=O)Nc1ccccc1 22a_100000106764_100000070787 [1,1,0,0,0,0|1,0,1]=4 1686 B10R1.18 CC(=O)Nc1ccccc1 527a_100000106764_100103153847 [1,1,0,0,0,0|1,0,1]=4 1687 B10R1.18 CN(C)Cc1ccccc1 2230a_100000186898_200000210301 [1,1,0,0,0,0|1,0,1]=4 1688 B10R1.18 CN(C)Cc1ccccc1 2230a_100102631434_100015291786 [1,1,0,0,0,0|1,0,1]=4 1689 B10R1.18 CN(C)Cc1ccccc1 269982a_100000186898_200000210301 [1,1,0,0,0,0|1,0,1]=4 1690 B10R1.18 CN(C)Cc1ccccc1 269982a_100102631434_100000211182 [1,1,0,0,0,0|1,0,1]=4 1691 B10R1.18 CN(C)Cc1ccccc1 270004a_100102631434_100015611070 [1,1,0,0,0,0|1,0,1]=4 1692 B10R1.18 CN([13CH3])Cc1ccccc1 2230a_100000186898_200025704644 [1,1,0,0,0,0|1,0,1]=4 1693 B10R1.18 CN([13CH3])Cc1ccccc1 269982a_100000186898_200025704644 [1,1,0,0,0,0|1,0,1]=4 1694 B10R1.18 [13CH3]C(=O)C[n+]1ccccc1 1458a_200000086051_200025704644 [1,1,0,0,0,0|1,0,1]=4 1695 B10R1.18 [13CH3]C(=O)Cc1ccccn1 1458a_100000233486_200025704644 [1,1,0,0,0,0|1,0,1]=4 1696 B10R1.18 [13CH3]C(=O)Cc1cccnc1 1458a_100000737805_200025704644 [1,1,0,0,0,0|1,0,1]=4 1697 B10R1.27 O=C(CO)Cc1ccsc1 1458a_100000210174_100011233845 [0,1,0,0,1,0|2,0,0]=4 1698 B12R1.1 C/C=C/CNc1ccc(cc1)Br 34a_100000210018_100102629194 [0,2,0,0,0,0|2,0,0]=4 1699 B12R1.1 C/C=C/CNc1ccc(cc1)C 34a_100000124888_100102629194 [0,2,0,0,0,0|2,0,0]=4 1700 B12R1.1 C/C=C/CNc1ccc(cc1)Cl 34a_100000210052_100102629194 [0,2,0,0,0,0|2,0,0]=4 1701 B12R1.1 C/C=C/CNc1ccc(cc1)F 34a_100000185862_100102629194 [0,2,0,0,0,0|2,0,0]=4 1702 B12R1.1 C/C=C/CNc1ccc(cc1)I 34a_100000185761_100102629194 [0,2,0,0,0,0|2,0,0]=4 1703 B12R1.1 C/C=C/CNc1ccc(cc1)O 34a_100000185829_100102629194 [0,2,0,0,0,0|2,0,0]=4 1704 B12R1.1 C/C=C/COc1ccc(cc1)Br 34a_100000185759_100102629194 [0,2,0,0,0,0|2,0,0]=4 1705 B12R1.1 C/C=C/COc1ccc(cc1)Br 7a_100000185759_100102629194 [0,2,0,0,0,0|2,0,0]=4 1706 B12R1.1 C/C=C/COc1ccc(cc1)C 34a_100000210336_100102629194 [0,2,0,0,0,0|2,0,0]=4 1707 B12R1.1 C/C=C/COc1ccc(cc1)C 7a_100000210336_100102629194 [0,2,0,0,0,0|2,0,0]=4 1708 B12R1.1 C/C=C/COc1ccc(cc1)Cl 34a_100000210216_100102629194 [0,2,0,0,0,0|2,0,0]=4 1709 B12R1.1 C/C=C/COc1ccc(cc1)Cl 7a_100000210216_100102629194 [0,2,0,0,0,0|2,0,0]=4 1710 B12R1.1 C/C=C/COc1ccc(cc1)F 34a_100000210339_100102629194 [0,2,0,0,0,0|2,0,0]=4 1711 B12R1.1 C/C=C/COc1ccc(cc1)I 34a_100000212066_100102629194 [0,2,0,0,0,0|2,0,0]=4 1712 B12R1.1 C/C=C/COc1ccc(cc1)I 7a_100000212066_100102629194 [0,2,0,0,0,0|2,0,0]=4 1713 B12R1.1 C/C=C/COc1ccc(cc1)N 34a_100000185829_100102629194 [0,2,0,0,0,0|2,0,0]=4 1714 B12R1.1 C/C=C/CSc1ccc(cc1)Br 62a_100000752885_100102629194 [0,2,0,0,0,0|2,0,0]=4 1715 B12R1.1 C/C=C/CSc1ccc(cc1)Br 62a_100102629194_100000752885 [0,2,0,0,0,0|2,0,0]=4 1716 B12R1.1 C/C=C/CSc1ccc(cc1)C 62a_100000186775_100102629194 [0,2,0,0,0,0|2,0,0]=4 1717 B12R1.1 C/C=C/CSc1ccc(cc1)C 62a_100102629194_100000186775 [0,2,0,0,0,0|2,0,0]=4 1718 B12R1.1 C/C=C/CSc1ccc(cc1)Cl 62a_100000755918_100102629194 [0,2,0,0,0,0|2,0,0]=4 1719 B12R1.1 C/C=C/CSc1ccc(cc1)Cl 62a_100102629194_100000755918 [0,2,0,0,0,0|2,0,0]=4 1720 B12R1.1 C/C=C/CSc1ccc(cc1)F 62a_100000211213_100102629194 [0,2,0,0,0,0|2,0,0]=4 1721 B12R1.1 C/C=C/CSc1ccc(cc1)F 62a_100102629194_100000211213 [0,2,0,0,0,0|2,0,0]=4 1722 B12R1.1 C/C=C/CSc1ccc(cc1)N 62a_100000185761_100102629194 [0,2,0,0,0,0|2,0,0]=4 1723 B12R1.1 C/C=C/CSc1ccc(cc1)N 62a_100102629194_100000185761 [0,2,0,0,0,0|2,0,0]=4 1724 B12R1.1 C/C=C/CSc1ccc(cc1)O 62a_100102629194_100000185759 [0,2,0,0,0,0|2,0,0]=4 1725 B12R1.1 CC=CCNc1ccc(cc1)Br 2230a_100000210018_100000070051 [0,2,0,0,0,0|2,0,0]=4 1726 B12R1.1 CC=CCNc1ccc(cc1)Br 34a_100000210018_100000070051 [0,2,0,0,0,0|2,0,0]=4 1727 B12R1.1 CC=CCNc1ccc(cc1)C 34a_100000124888_100000070051 [0,2,0,0,0,0|2,0,0]=4 1728 B12R1.1 CC=CCNc1ccc(cc1)Cl 2230a_100000210052_100000070051 [0,2,0,0,0,0|2,0,0]=4 1729 B12R1.1 CC=CCNc1ccc(cc1)Cl 34a_100000210052_100000070051 [0,2,0,0,0,0|2,0,0]=4 1730 B12R1.1 CC=CCNc1ccc(cc1)F 34a_100000185862_100000070051 [0,2,0,0,0,0|2,0,0]=4 1731 B12R1.1 CC=CCNc1ccc(cc1)I 34a_100000185761_100000070051 [0,2,0,0,0,0|2,0,0]=4 1732 B12R1.1 CC=CCNc1ccc(cc1)O 34a_100000185829_100000070051 [0,2,0,0,0,0|2,0,0]=4 1733 B12R1.1 CC=CCOc1ccc(cc1)Br 34a_100000185759_100000070051 [0,2,0,0,0,0|2,0,0]=4 1734 B12R1.1 CC=CCOc1ccc(cc1)Br 7a_100000185759_100000070051 [0,2,0,0,0,0|2,0,0]=4 1735 B12R1.1 CC=CCOc1ccc(cc1)C 34a_100000210336_100000070051 [0,2,0,0,0,0|2,0,0]=4 1736 B12R1.1 CC=CCOc1ccc(cc1)C 7a_100000210336_100000070051 [0,2,0,0,0,0|2,0,0]=4 1737 B12R1.1 CC=CCOc1ccc(cc1)Cl 34a_100000210216_100000070051 [0,2,0,0,0,0|2,0,0]=4 1738 B12R1.1 CC=CCOc1ccc(cc1)Cl 7a_100000210216_100000070051 [0,2,0,0,0,0|2,0,0]=4 1739 B12R1.1 CC=CCOc1ccc(cc1)F 34a_100000210339_100000070051 [0,2,0,0,0,0|2,0,0]=4 1740 B12R1.1 CC=CCOc1ccc(cc1)I 34a_100000212066_100000070051 [0,2,0,0,0,0|2,0,0]=4 1741 B12R1.1 CC=CCOc1ccc(cc1)I 7a_100000212066_100000070051 [0,2,0,0,0,0|2,0,0]=4 1742 B12R1.1 CC=CCOc1ccc(cc1)N 34a_100000185829_100000070051 [0,2,0,0,0,0|2,0,0]=4 1743 B12R1.1 CC=CCSc1ccc(cc1)Br 62a_100000070051_100000752885 [0,2,0,0,0,0|2,0,0]=4 1744 B12R1.1 CC=CCSc1ccc(cc1)Br 62a_100000752885_100000070051 [0,2,0,0,0,0|2,0,0]=4 1745 B12R1.1 CC=CCSc1ccc(cc1)C 62a_100000070051_100000186775 [0,2,0,0,0,0|2,0,0]=4 1746 B12R1.1 CC=CCSc1ccc(cc1)C 62a_100000186775_100000070051 [0,2,0,0,0,0|2,0,0]=4 1747 B12R1.1 CC=CCSc1ccc(cc1)Cl 62a_100000070051_100000755918 [0,2,0,0,0,0|2,0,0]=4 1748 B12R1.1 CC=CCSc1ccc(cc1)Cl 62a_100000755918_100000070051 [0,2,0,0,0,0|2,0,0]=4 1749 B12R1.1 CC=CCSc1ccc(cc1)F 62a_100000070051_100000211213 [0,2,0,0,0,0|2,0,0]=4 1750 B12R1.1 CC=CCSc1ccc(cc1)F 62a_100000211213_100000070051 [0,2,0,0,0,0|2,0,0]=4 1751 B12R1.1 CC=CCSc1ccc(cc1)N 62a_100000070051_100000185761 [0,2,0,0,0,0|2,0,0]=4 1752 B12R1.1 CC=CCSc1ccc(cc1)N 62a_100000185761_100000070051 [0,2,0,0,0,0|2,0,0]=4 1753 B12R1.1 CC=CCSc1ccc(cc1)O 62a_100000070051_100000185759 [0,2,0,0,0,0|2,0,0]=4 1754 B12R1.1 CC=NNCc1ccc(cc1)Br 4a_100016993955_200000210099 [0,2,0,0,0,0|2,0,0]=4 1755 B12R1.1 CC=NNCc1ccc(cc1)C 4a_100011197965_200000210099 [0,2,0,0,0,0|2,0,0]=4 1756 B12R1.1 CC=NNCc1ccc(cc1)Cl 4a_100000689899_200000210099 [0,2,0,0,0,0|2,0,0]=4 1757 B12R1.1 CC=NNCc1ccc(cc1)F 4a_100000689900_200000210099 [0,2,0,0,0,0|2,0,0]=4 1758 B12R1.1 CC=NNCc1ccc(cc1)I 4a_102495363730_200000210099 [0,2,0,0,0,0|2,0,0]=4 1759 B12R1.1 COCC=Cc1ccc(cc1)Br 271570a_100016286323_100000752885 [0,2,0,0,0,0|1,0,1]=4 1760 B12R1.1 COCC=Cc1ccc(cc1)C 271570a_100016286323_100000186775 [0,2,0,0,0,0|1,0,1]=4 1761 B12R1.1 COCC=Cc1ccc(cc1)Cl 271570a_100016286323_100000755918 [0,2,0,0,0,0|1,0,1]=4 1762 B12R1.1 COCC=Cc1ccc(cc1)F 271570a_100016286323_100000211213 [0,2,0,0,0,0|1,0,1]=4 1763 B12R1.1 COCC=Cc1ccc(cc1)N 271570a_100016286323_100000185761 [0,2,0,0,0,0|1,0,1]=4 1764 B12R1.1 COCC=Cc1ccc(cc1)O 271570a_100016286323_100000185759 [0,2,0,0,0,0|1,0,1]=4 1765 B12R1.1 COCCCc1ccc(cc1)Br 34a_100011709247_200000210301 [0,2,0,0,0,0|1,0,1]=4 1766 B12R1.1 COCCCc1ccc(cc1)Br 34a_100138415774_100011713682 [0,2,0,0,0,0|1,0,1]=4 1767 B12R1.1 COCCCc1ccc(cc1)Br 7a_100011709247_200000210301 [0,2,0,0,0,0|1,0,1]=4 1768 B12R1.1 COCCCc1ccc(cc1)C 34a_100000189427_200000210301 [0,2,0,0,0,0|1,0,1]=4 1769 B12R1.1 COCCCc1ccc(cc1)C 7a_100000189427_200000210301 [0,2,0,0,0,0|1,0,1]=4 1770 B12R1.1 COCCCc1ccc(cc1)Cl 34a_100011217485_200000210301 [0,2,0,0,0,0|1,0,1]=4 1771 B12R1.1 COCCCc1ccc(cc1)Cl 34a_100138415774_100000759440 [0,2,0,0,0,0|1,0,1]=4 1772 B12R1.1 COCCCc1ccc(cc1)Cl 7a_100011217485_200000210301 [0,2,0,0,0,0|1,0,1]=4 1773 B12R1.1 COCCCc1ccc(cc1)F 34a_100000757351_200000210301 [0,2,0,0,0,0|1,0,1]=4 1774 B12R1.1 COCCCc1ccc(cc1)F 34a_100138415774_200011713563 [0,2,0,0,0,0|1,0,1]=4 1775 B12R1.1 COCCCc1ccc(cc1)F 7a_100000757351_200000210301 [0,2,0,0,0,0|1,0,1]=4 1776 B12R1.1 COCNCc1ccc(cc1)Br 2230a_100000174875_100000766300 [0,2,0,0,0,0|2,0,0]=4 1777 B12R1.1 COCNCc1ccc(cc1)C 2230a_100000174908_100000766300 [0,2,0,0,0,0|2,0,0]=4 1778 B12R1.1 COCNCc1ccc(cc1)Cl 2230a_100000174871_100000766300 [0,2,0,0,0,0|2,0,0]=4 1779 B12R1.1 COCNCc1ccc(cc1)F 2230a_100000174882_100000766300 [0,2,0,0,0,0|2,0,0]=4 1780 B12R1.1 COCNCc1ccc(cc1)I 2230a_100016989417_100000766300 [0,2,0,0,0,0|2,0,0]=4 1781 B12R1.1 COCSCc1ccc(cc1)Br 62a_100000189115_100000766300 [0,2,0,0,0,0|2,0,0]=4 1782 B12R1.1 COCSCc1ccc(cc1)Br 62a_100000766300_100000189115 [0,2,0,0,0,0|2,0,0]=4 1783 B12R1.1 COCSCc1ccc(cc1)C 62a_100000210814_100000766300 [0,2,0,0,0,0|2,0,0]=4 1784 B12R1.1 COCSCc1ccc(cc1)C 62a_100000766300_100000210814 [0,2,0,0,0,0|2,0,0]=4 1785 B12R1.1 COCSCc1ccc(cc1)Cl 62a_100000187161_100000766300 [0,2,0,0,0,0|2,0,0]=4 1786 B12R1.1 COCSCc1ccc(cc1)Cl 62a_100000766300_100000187161 [0,2,0,0,0,0|2,0,0]=4 1787 B12R1.1 COCSCc1ccc(cc1)F 62a_100000198546_100000766300 [0,2,0,0,0,0|2,0,0]=4 1788 B12R1.1 COCSCc1ccc(cc1)F 62a_100000766300_100000187164 [0,2,0,0,0,0|2,0,0]=4 1789 B12R1.1 COCSCc1ccc(cc1)I 62a_100000189116_100000766300 [0,2,0,0,0,0|2,0,0]=4 1790 B12R1.1 COCSCc1ccc(cc1)I 62a_100000766300_100000189116 [0,2,0,0,0,0|2,0,0]=4 1791 B12R1.1 Cc1ccc(cc1)CCCO[13CH3] 34a_100000189427_200025704644 [0,2,0,0,0,0|1,0,1]=4 1792 B12R1.1 Cc1ccc(cc1)CCCO[13CH3] 7a_100000189427_200025704644 [0,2,0,0,0,0|1,0,1]=4 1793 B12R1.1 Cc1ccc(cc1)CNCCO 207a_100000210304_100000211033 [0,2,0,0,0,0|1,0,1]=4 1794 B12R1.1 Cc1ccc(cc1)CNCCO 2230a_100000174908_100000211926 [0,2,0,0,0,0|1,0,1]=4 1795 B12R1.1 Cc1ccc(cc1)CNCCO 2230a_100016997473_100000210814 [0,2,0,0,0,0|1,0,1]=4 1796 B12R1.1 Cc1ccc(cc1)CNCCO 270004a_100000210304_100000211033 [0,2,0,0,0,0|1,0,1]=4 1797 B12R1.1 Cc1ccc(cc1)CNCCO 34a_100000174908_100000211926 [0,2,0,0,0,0|1,0,1]=4 1798 B12R1.1 Cc1ccc(cc1)CNCCO 34a_100016990907_100000210814 [0,2,0,0,0,0|1,0,1]=4 1799 B12R1.1 Cc1ccc(cc1)COCCO 34a_100011215236_100000211926 [0,2,0,0,0,0|1,0,1]=4 1800 B12R1.1 Cc1ccc(cc1)COCCO 7a_100011215236_100000211926 [0,2,0,0,0,0|1,0,1]=4 1801 B12R1.1 Cc1ccc(cc1)CSCCO 62a_100000210814_100000211926 [0,2,0,0,0,0|1,0,1]=4 1802 B12R1.1 Cc1ccc(cc1)CSCCO 62a_100000211926_100000210814 [0,2,0,0,0,0|1,0,1]=4 1803 B12R1.1 Cc1ccc(cc1)NCCCO 34a_100000124888_100000230001 [0,2,0,0,0,0|1,0,1]=4 1804 B12R1.1 Cc1ccc(cc1)OCCCO 34a_100000210336_100000230001 [0,2,0,0,0,0|1,0,1]=4 1805 B12R1.1 Cc1ccc(cc1)OCCCO 7a_100000210336_100011215043 [0,2,0,0,0,0|1,0,1]=4 1806 B12R1.1 Cc1ccc(cc1)SCCCO 62a_100000186775_100011215043 [0,2,0,0,0,0|1,0,1]=4 1807 B12R1.1 Cc1ccc(cc1)SCCCO 62a_100011215043_100000186775 [0,2,0,0,0,0|1,0,1]=4 1808 B12R1.1 Nc1ccc(cc1)COCCO 34a_100011215238_100000211926 [0,2,0,0,0,0|1,0,1]=4 1809 B12R1.1 Nc1ccc(cc1)OCCCO 34a_100000185829_100000230001 [0,2,0,0,0,0|1,0,1]=4 1810 B12R1.1 Nc1ccc(cc1)SCCCO 62a_100000185761_100011215043 [0,2,0,0,0,0|1,0,1]=4 1811 B12R1.1 Nc1ccc(cc1)SCCCO 62a_100011215043_100000185761 [0,2,0,0,0,0|1,0,1]=4 1812 B12R1.1 OCCCNc1ccc(cc1)Br 2230a_100000210018_100000230001 [0,2,0,0,0,0|1,0,1]=4 1813 B12R1.1 OCCCNc1ccc(cc1)Br 34a_100000210018_100000230001 [0,2,0,0,0,0|1,0,1]=4 1814 B12R1.1 OCCCNc1ccc(cc1)Cl 2230a_100000210052_100000230001 [0,2,0,0,0,0|1,0,1]=4 1815 B12R1.1 OCCCNc1ccc(cc1)Cl 34a_100000210052_100000230001 [0,2,0,0,0,0|1,0,1]=4 1816 B12R1.1 OCCCNc1ccc(cc1)F 34a_100000185862_100000230001 [0,2,0,0,0,0|1,0,1]=4 1817 B12R1.1 OCCCNc1ccc(cc1)I 34a_100000185761_100000230001 [0,2,0,0,0,0|1,0,1]=4 1818 B12R1.1 OCCCNc1ccc(cc1)O 34a_100000185829_100000230001 [0,2,0,0,0,0|1,0,1]=4 1819 B12R1.1 OCCCOc1ccc(cc1)Br 34a_100000185759_100000230001 [0,2,0,0,0,0|1,0,1]=4 1820 B12R1.1 OCCCOc1ccc(cc1)Br 7a_100000185759_100011215043 [0,2,0,0,0,0|1,0,1]=4 1821 B12R1.1 OCCCOc1ccc(cc1)Cl 34a_100000210216_100000230001 [0,2,0,0,0,0|1,0,1]=4 1822 B12R1.1 OCCCOc1ccc(cc1)Cl 7a_100000210216_100011215043 [0,2,0,0,0,0|1,0,1]=4 1823 B12R1.1 OCCCOc1ccc(cc1)F 34a_100000210339_100000230001 [0,2,0,0,0,0|1,0,1]=4 1824 B12R1.1 OCCCOc1ccc(cc1)I 34a_100000212066_100000230001 [0,2,0,0,0,0|1,0,1]=4 1825 B12R1.1 OCCCOc1ccc(cc1)I 7a_100000212066_100011215043 [0,2,0,0,0,0|1,0,1]=4 1826 B12R1.1 OCCCOc1ccc(cc1)O 271570a_203496583355_100000756186 [0,2,0,0,0,0|1,0,1]=4 1827 B12R1.1 OCCCSc1ccc(cc1)Br 62a_100000752885_100011215043 [0,2,0,0,0,0|1,0,1]=4 1828 B12R1.1 OCCCSc1ccc(cc1)Br 62a_100011215043_100000752885 [0,2,0,0,0,0|1,0,1]=4 1829 B12R1.1 OCCCSc1ccc(cc1)Cl 62a_100000755918_100011215043 [0,2,0,0,0,0|1,0,1]=4 1830 B12R1.1 OCCCSc1ccc(cc1)Cl 62a_100011215043_100000755918 [0,2,0,0,0,0|1,0,1]=4 1831 B12R1.1 OCCCSc1ccc(cc1)F 62a_100000211213_100011215043 [0,2,0,0,0,0|1,0,1]=4 1832 B12R1.1 OCCCSc1ccc(cc1)F 62a_100011215043_100000211213 [0,2,0,0,0,0|1,0,1]=4 1833 B12R1.1 OCCCSc1ccc(cc1)O 62a_100011215043_100000185759 [0,2,0,0,0,0|1,0,1]=4 1834 B12R1.1 OCCNCc1ccc(cc1)Br 207a_100000210304_100000186029 [0,2,0,0,0,0|1,0,1]=4 1835 B12R1.1 OCCNCc1ccc(cc1)Br 2230a_100000174875_100000211926 [0,2,0,0,0,0|1,0,1]=4 1836 B12R1.1 OCCNCc1ccc(cc1)Br 2230a_100016997473_100011217064 [0,2,0,0,0,0|1,0,1]=4 1837 B12R1.1 OCCNCc1ccc(cc1)Br 270004a_100000210304_100000186029 [0,2,0,0,0,0|1,0,1]=4 1838 B12R1.1 OCCNCc1ccc(cc1)Br 34a_100000174875_100000211926 [0,2,0,0,0,0|1,0,1]=4 1839 B12R1.1 OCCNCc1ccc(cc1)Br 34a_100016990907_100000189115 [0,2,0,0,0,0|1,0,1]=4 1840 B12R1.1 OCCNCc1ccc(cc1)Cl 207a_100000210304_100000189385 [0,2,0,0,0,0|1,0,1]=4 1841 B12R1.1 OCCNCc1ccc(cc1)Cl 2230a_100000174871_100000211926 [0,2,0,0,0,0|1,0,1]=4 1842 B12R1.1 OCCNCc1ccc(cc1)Cl 2230a_100016997473_100000694040 [0,2,0,0,0,0|1,0,1]=4 1843 B12R1.1 OCCNCc1ccc(cc1)Cl 270004a_100000210304_100000189385 [0,2,0,0,0,0|1,0,1]=4 1844 B12R1.1 OCCNCc1ccc(cc1)Cl 34a_100000174871_100000211926 [0,2,0,0,0,0|1,0,1]=4 1845 B12R1.1 OCCNCc1ccc(cc1)Cl 34a_100016990907_100000694040 [0,2,0,0,0,0|1,0,1]=4 1846 B12R1.1 OCCNCc1ccc(cc1)F 207a_100000210304_100000210084 [0,2,0,0,0,0|1,0,1]=4 1847 B12R1.1 OCCNCc1ccc(cc1)F 2230a_100000174882_100000211926 [0,2,0,0,0,0|1,0,1]=4 1848 B12R1.1 OCCNCc1ccc(cc1)F 2230a_100016997473_100000198546 [0,2,0,0,0,0|1,0,1]=4 1849 B12R1.1 OCCNCc1ccc(cc1)F 270004a_100000210304_100000210084 [0,2,0,0,0,0|1,0,1]=4 1850 B12R1.1 OCCNCc1ccc(cc1)F 34a_100000174882_100000211926 [0,2,0,0,0,0|1,0,1]=4 1851 B12R1.1 OCCNCc1ccc(cc1)F 34a_100016990907_100000198546 [0,2,0,0,0,0|1,0,1]=4 1852 B12R1.1 OCCNCc1ccc(cc1)I 207a_100000210304_100000188517 [0,2,0,0,0,0|1,0,1]=4 1853 B12R1.1 OCCNCc1ccc(cc1)I 2230a_100016989417_100000211926 [0,2,0,0,0,0|1,0,1]=4 1854 B12R1.1 OCCNCc1ccc(cc1)I 2230a_100016997473_100000189116 [0,2,0,0,0,0|1,0,1]=4 1855 B12R1.1 OCCNCc1ccc(cc1)I 34a_100016989417_100000211926 [0,2,0,0,0,0|1,0,1]=4 1856 B12R1.1 OCCNCc1ccc(cc1)I 34a_100016990907_100000189116 [0,2,0,0,0,0|1,0,1]=4 1857 B12R1.1 OCCNCc1ccc(cc1)O 271570a_203496583355_100000186819 [0,2,0,0,0,0|1,0,1]=4 1858 B12R1.1 OCCNCc1ccc(cc1)O 34a_100000185549_100000211926 [0,2,0,0,0,0|1,0,1]=4 1859 B12R1.1 OCCOCc1ccc(cc1)Br 34a_100000695286_100000211926 [0,2,0,0,0,0|1,0,1]=4 1860 B12R1.1 OCCOCc1ccc(cc1)Cl 34a_100000211118_100000211926 [0,2,0,0,0,0|1,0,1]=4 1861 B12R1.1 OCCOCc1ccc(cc1)Cl 7a_100000211118_100000211926 [0,2,0,0,0,0|1,0,1]=4 1862 B12R1.1 OCCOCc1ccc(cc1)F 34a_100000210977_100000211926 [0,2,0,0,0,0|1,0,1]=4 1863 B12R1.1 OCCOCc1ccc(cc1)F 7a_100000210977_100000211926 [0,2,0,0,0,0|1,0,1]=4 1864 B12R1.1 OCCOCc1ccc(cc1)I 34a_100000690907_100000211926 [0,2,0,0,0,0|1,0,1]=4 1865 B12R1.1 OCCOCc1ccc(cc1)I 7a_100000690907_100000211926 [0,2,0,0,0,0|1,0,1]=4 1866 B12R1.1 OCCSCc1ccc(cc1)Br 62a_100000189115_100000211926 [0,2,0,0,0,0|1,0,1]=4 1867 B12R1.1 OCCSCc1ccc(cc1)Br 62a_100000211926_100000189115 [0,2,0,0,0,0|1,0,1]=4 1868 B12R1.1 OCCSCc1ccc(cc1)Cl 62a_100000187161_100000211926 [0,2,0,0,0,0|1,0,1]=4 1869 B12R1.1 OCCSCc1ccc(cc1)Cl 62a_100000211926_100000187161 [0,2,0,0,0,0|1,0,1]=4 1870 B12R1.1 OCCSCc1ccc(cc1)F 62a_100000198546_100000211926 [0,2,0,0,0,0|1,0,1]=4 1871 B12R1.1 OCCSCc1ccc(cc1)F 62a_100000211926_100000187164 [0,2,0,0,0,0|1,0,1]=4 1872 B12R1.1 OCCSCc1ccc(cc1)I 62a_100000189116_100000211926 [0,2,0,0,0,0|1,0,1]=4 1873 B12R1.1 OCCSCc1ccc(cc1)I 62a_100000211926_100000189116 [0,2,0,0,0,0|1,0,1]=4 1874 B12R1.1 [13CH3]OCCCc1ccc(cc1)Br 34a_100011709247_200025704644 [0,2,0,0,0,0|1,0,1]=4 1875 B12R1.1 [13CH3]OCCCc1ccc(cc1)Br 7a_100011709247_200025704644 [0,2,0,0,0,0|1,0,1]=4 1876 B12R1.1 [13CH3]OCCCc1ccc(cc1)Cl 34a_100011217485_200025704644 [0,2,0,0,0,0|1,0,1]=4 1877 B12R1.1 [13CH3]OCCCc1ccc(cc1)Cl 7a_100011217485_200025704644 [0,2,0,0,0,0|1,0,1]=4 1878 B12R1.1 [13CH3]OCCCc1ccc(cc1)F 34a_100000757351_200025704644 [0,2,0,0,0,0|1,0,1]=4 1879 B12R1.1 [13CH3]OCCCc1ccc(cc1)F 7a_100000757351_200025704644 [0,2,0,0,0,0|1,0,1]=4 1880 B12R1.16 N[C@@H](CCO)c1ccc(cc1)O 271570a_203496583355_102125605589 [0,2,0,0,0,0|1,0,1]=4 1881 B12R1.21 CC(O)C=Cc1ccc(cc1)Br 271570a_200011019289_100000752885 [0,2,0,0,0,0|1,0,1]=4 1882 B12R1.21 CC(O)C=Cc1ccc(cc1)Cl 271570a_200011019289_100000755918 [0,2,0,0,0,0|1,0,1]=4 1883 B12R1.21 CC(O)C=Cc1ccc(cc1)F 271570a_200011019289_100000211213 [0,2,0,0,0,0|1,0,1]=4 1884 B12R1.21 CC(O)C=Cc1ccc(cc1)N 271570a_200011019289_100000185761 [0,2,0,0,0,0|1,0,1]=4 1885 B12R1.21 CC(O)C=Cc1ccc(cc1)O 271570a_200011019289_100000185759 [0,2,0,0,0,0|1,0,1]=4 1886 B12R1.21 Cc1ccc(cc1)C=CC(C)O 271570a_200011019289_100000186775 [0,2,0,0,0,0|1,0,1]=4 1887 B12R1.49 C#CC(=O)Cc1ccc(cc1)Br 1458a_100000211873_100000189115 [0,2,0,0,0,0|2,0,0]=4 1888 B12R1.49 C#CC(=O)Cc1ccc(cc1)C 1458a_100000211873_100000210814 [0,2,0,0,0,0|2,0,0]=4 1889 B12R1.49 C#CC(=O)Cc1ccc(cc1)Cl 1458a_100000211873_100000694040 [0,2,0,0,0,0|2,0,0]=4 1890 B12R1.49 C#CC(=O)Cc1ccc(cc1)F 1458a_100000211873_100000198546 [0,2,0,0,0,0|2,0,0]=4 1891 B12R1.49 C#CC(=O)Cc1ccc(cc1)I 1458a_100000211873_100000189116 [0,2,0,0,0,0|2,0,0]=4 1892 B12R1.49 C=CC(=O)Cc1ccc(cc1)Br 1458a_100000185746_100000189115 [0,2,0,0,0,0|2,0,0]=4 1893 B12R1.49 C=CC(=O)Cc1ccc(cc1)C 1458a_100000185746_100000210814 [0,2,0,0,0,0|2,0,0]=4 1894 B12R1.49 C=CC(=O)Cc1ccc(cc1)Cl 1458a_100000185746_100000694040 [0,2,0,0,0,0|2,0,0]=4 1895 B12R1.49 C=CC(=O)Cc1ccc(cc1)F 1458a_100000185746_100000198546 [0,2,0,0,0,0|2,0,0]=4 1896 B12R1.49 C=CC(=O)Cc1ccc(cc1)I 1458a_100000185746_100000189116 [0,2,0,0,0,0|2,0,0]=4 1897 B12R1.49 CCC(=O)Cc1ccc(cc1)Br 1458a_100000198978_100000210202 [0,2,0,0,0,0|2,0,0]=4 1898 B12R1.49 CCC(=O)Cc1ccc(cc1)Br 1458a_100000210414_100000189115 [0,2,0,0,0,0|2,0,0]=4 1899 B12R1.49 CCC(=O)Cc1ccc(cc1)C 1458a_100000210414_100000210814 [0,2,0,0,0,0|2,0,0]=4 1900 B12R1.49 CCC(=O)Cc1ccc(cc1)C 1458a_100000212244_100000210202 [0,2,0,0,0,0|2,0,0]=4 1901 B12R1.49 CCC(=O)Cc1ccc(cc1)Cl 1458a_100000210414_100000694040 [0,2,0,0,0,0|2,0,0]=4 1902 B12R1.49 CCC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_100000210202 [0,2,0,0,0,0|2,0,0]=4 1903 B12R1.49 CCC(=O)Cc1ccc(cc1)F 1458a_100000210414_100000198546 [0,2,0,0,0,0|2,0,0]=4 1904 B12R1.49 CCC(=O)Cc1ccc(cc1)F 1458a_100000210951_100000210202 [0,2,0,0,0,0|2,0,0]=4 1905 B12R1.49 CCC(=O)Cc1ccc(cc1)I 1458a_100000210414_100000189116 [0,2,0,0,0,0|2,0,0]=4 1906 B12R1.49 CCC(=O)Cc1ccc(cc1)I 1458a_100000688869_100000210202 [0,2,0,0,0,0|2,0,0]=4 1907 B12R1.49 CCC(=O)Cc1ccc(cc1)O 1458a_100000198540_100000210202 [0,2,0,0,0,0|2,0,0]=4 1908 B12R1.49 CNC(=O)Cc1ccc(cc1)Br 11a_106832991635_100000198978 [0,2,0,0,0,0|1,0,1]=4 1909 B12R1.49 CNC(=O)Cc1ccc(cc1)Br 240690a_100102657272_100000198978 [0,2,0,0,0,0|1,0,1]=4 1910 B12R1.49 CNC(=O)Cc1ccc(cc1)Br 527a_100102657272_100000198978 [0,2,0,0,0,0|1,0,1]=4 1911 B12R1.49 CNC(=O)Cc1ccc(cc1)C 11a_106832991635_100000212244 [0,2,0,0,0,0|1,0,1]=4 1912 B12R1.49 CNC(=O)Cc1ccc(cc1)C 240690a_100102657272_100000212244 [0,2,0,0,0,0|1,0,1]=4 1913 B12R1.49 CNC(=O)Cc1ccc(cc1)C 527a_100102657272_100000212244 [0,2,0,0,0,0|1,0,1]=4 1914 B12R1.49 CNC(=O)Cc1ccc(cc1)Cl 11a_106832991635_100000211027 [0,2,0,0,0,0|1,0,1]=4 1915 B12R1.49 CNC(=O)Cc1ccc(cc1)Cl 240690a_100102657272_100000211027 [0,2,0,0,0,0|1,0,1]=4 1916 B12R1.49 CNC(=O)Cc1ccc(cc1)Cl 527a_100102657272_100000211027 [0,2,0,0,0,0|1,0,1]=4 1917 B12R1.49 CNC(=O)Cc1ccc(cc1)F 11a_106832991635_100000210951 [0,2,0,0,0,0|1,0,1]=4 1918 B12R1.49 CNC(=O)Cc1ccc(cc1)F 1626a_100102657272_100000210951 [0,2,0,0,0,0|1,0,1]=4 1919 B12R1.49 CNC(=O)Cc1ccc(cc1)F 240690a_100102657272_100000210951 [0,2,0,0,0,0|1,0,1]=4 1920 B12R1.49 CNC(=O)Cc1ccc(cc1)F 527a_100102657272_100000210951 [0,2,0,0,0,0|1,0,1]=4 1921 B12R1.49 CNC(=O)Cc1ccc(cc1)I 11a_106832991635_100000688869 [0,2,0,0,0,0|1,0,1]=4 1922 B12R1.49 CNC(=O)Cc1ccc(cc1)I 1626a_100102657272_100000688869 [0,2,0,0,0,0|1,0,1]=4 1923 B12R1.49 CNC(=O)Cc1ccc(cc1)I 240690a_100102657272_100000688869 [0,2,0,0,0,0|1,0,1]=4 1924 B12R1.49 CNC(=O)Cc1ccc(cc1)I 527a_100102657272_100000688869 [0,2,0,0,0,0|1,0,1]=4 1925 B12R1.49 CNC(=O)Cc1ccc(cc1)O 1626a_100102657272_100000198540 [0,2,0,0,0,0|1,0,1]=4 1926 B12R1.49 CNC(=O)Cc1ccc(cc1)O 240690a_100102657272_100000198540 [0,2,0,0,0,0|1,0,1]=4 1927 B12R1.49 CNC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000155101 [0,2,0,0,0,0|1,0,1]=4 1928 B12R1.49 CNC(=O)Cc1ccc(cc1)O 527a_100102657272_100000198540 [0,2,0,0,0,0|1,0,1]=4 1929 B12R1.49 COC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000149743 [0,2,0,0,0,0|2,0,0]=4 1930 B12R1.49 Cc1ccc(cc1)CC(=O)CF 1458a_100000212244_100015361967 [0,2,0,0,0,0|2,0,0]=4 1931 B12R1.49 Cc1ccc(cc1)CC(=O)CO 1458a_100000210174_100000210814 [0,2,0,0,0,0|1,0,0]=3 1932 B12R1.49 Cc1ccc(cc1)NC(=O)CO 22a_100000124888_100000210174 [0,2,0,0,0,0|2,0,0]=4 1933 B12R1.49 Cc1ccc(cc1)NC(=O)CO 527a_100000124888_100000210174 [0,2,0,0,0,0|2,0,0]=4 1934 B12R1.49 Cc1ccc(cn1)CC(=O)CO 1458a_100000210174_100016987292 [0,2,0,0,0,0|2,0,0]=4 1935 B12R1.49 Cc1ccc(nc1)CC(=O)CO 1458a_100000210174_100000691093 [0,2,0,0,0,0|2,0,0]=4 1936 B12R1.49 O=C(CF)Cc1ccc(cc1)Br 1458a_100000198978_100015361967 [0,2,0,0,0,0|2,0,0]=4 1937 B12R1.49 O=C(CF)Cc1ccc(cc1)Cl 1458a_100000211027_100015361967 [0,2,0,0,0,0|2,0,0]=4 1938 B12R1.49 O=C(CF)Cc1ccc(cc1)F 1458a_100000210951_100015361967 [0,2,0,0,0,0|2,0,0]=4 1939 B12R1.49 O=C(CF)Cc1ccc(cc1)I 1458a_100000688869_100015361967 [0,2,0,0,0,0|2,0,0]=4 1940 B12R1.49 O=C(CF)Cc1ccc(cc1)O 1458a_100000198540_100015361967 [0,2,0,0,0,0|2,0,0]=4 1941 B12R1.49 O=C(CO)Cc1ccc(cc1)Br 1458a_100000210174_100000189115 [0,2,0,0,0,0|1,0,0]=3 1942 B12R1.49 O=C(CO)Cc1ccc(cc1)Cl 1458a_100000210174_100000694040 [0,2,0,0,0,0|1,0,0]=3 1943 B12R1.49 O=C(CO)Cc1ccc(cc1)F 1458a_100000210174_100000198546 [0,2,0,0,0,0|1,0,0]=3 1944 B12R1.49 O=C(CO)Cc1ccc(cc1)I 1458a_100000210174_100000189116 [0,2,0,0,0,0|1,0,0]=3 1945 B12R1.49 O=C(CO)Cc1ccc(cn1)Br 1458a_100000210174_100000702658 [0,2,0,0,0,0|2,0,0]=4 1946 B12R1.49 O=C(CO)Cc1ccc(cn1)Cl 1458a_100000210174_100012066911 [0,2,0,0,0,0|2,0,0]=4 1947 B12R1.49 O=C(CO)Cc1ccc(cn1)F 1458a_100000210174_100000703193 [0,2,0,0,0,0|2,0,0]=4 1948 B12R1.49 O=C(CO)Cc1ccc(nc1)Br 1458a_100000210174_100009831999 [0,2,0,0,0,0|2,0,0]=4 1949 B12R1.49 O=C(CO)Cc1ccc(nc1)Cl 1458a_100000210174_100000735431 [0,2,0,0,0,0|2,0,0]=4 1950 B12R1.49 O=C(CO)Cc1ccc(nc1)F 1458a_100000210174_100009820150 [0,2,0,0,0,0|2,0,0]=4 1951 B12R1.49 O=C(CO)Nc1ccc(cc1)Br 22a_100000210018_100000210174 [0,2,0,0,0,0|2,0,0]=4 1952 B12R1.49 O=C(CO)Nc1ccc(cc1)Br 527a_100000210018_100000210174 [0,2,0,0,0,0|2,0,0]=4 1953 B12R1.49 O=C(CO)Nc1ccc(cc1)Cl 22a_100000210052_100000210174 [0,2,0,0,0,0|2,0,0]=4 1954 B12R1.49 O=C(CO)Nc1ccc(cc1)Cl 527a_100000210052_100000210174 [0,2,0,0,0,0|2,0,0]=4 1955 B12R1.49 O=C(CO)Nc1ccc(cc1)F 22a_100000185862_100000210174 [0,2,0,0,0,0|2,0,0]=4 1956 B12R1.49 O=C(CO)Nc1ccc(cc1)F 527a_100000185862_100000210174 [0,2,0,0,0,0|2,0,0]=4 1957 B12R1.49 O=C(CO)Nc1ccc(cc1)I 22a_100000185761_100000210174 [0,2,0,0,0,0|2,0,0]=4 1958 B12R1.49 O=C(CO)Nc1ccc(cc1)I 527a_100000185761_100000210174 [0,2,0,0,0,0|2,0,0]=4 1959 B12R1.49 O=C(CO)Nc1ccc(cc1)O 22a_100000185829_100000210174 [0,2,0,0,0,0|2,0,0]=4 1960 B12R1.71 C=Cc1ccc(cc1)CCCO 271570a_100011290941_100011709247 [0,2,0,0,0,0|1,0,1]=4 1961 B12R1.71 COc1ccc(cc1)CCCO 34a_100011215268_200000210301 [0,2,0,0,0,0|1,0,1]=4 1962 B12R1.71 COc1ccc(cc1)CCCO 7a_100011215268_200000210301 [0,2,0,0,0,0|1,0,1]=4 1963 B12R1.71 CSc1ccc(cc1)CCCO 62a_100011709247_200000210301 [0,2,0,0,0,0|1,0,1]=4 1964 B12R1.71 CSc1ccc(cc1)CCCO 62a_200000210301_100011709247 [0,2,0,0,0,0|1,0,1]=4 1965 B12R1.71 [13CH3]Oc1ccc(cc1)CCCO 34a_100011215268_200025704644 [0,2,0,0,0,0|1,0,1]=4 1966 B12R1.71 [13CH3]Oc1ccc(cc1)CCCO 7a_100011215268_200025704644 [0,2,0,0,0,0|1,0,1]=4 1967 B12R1.71 [13CH3]Sc1ccc(cc1)CCCO 62a_100011709247_200025704644 [0,2,0,0,0,0|1,0,1]=4 1968 B12R1.71 [13CH3]Sc1ccc(cc1)CCCO 62a_200025704644_100011709247 [0,2,0,0,0,0|1,0,1]=4 1969 B12R1.3 CN[C@@H](CCO)c1ccccc1 2230a_100025705951_200000210301 [0,2,0,0,0,0|1,0,1]=4 1970 B12R1.3 [13CH3]N[C@@H](CCO)c1ccccc1 2230a_100025705951_200025704644 [0,2,0,0,0,0|1,0,1]=4 1971 B12R1.17 NC(CCO)c1cccc(c1)O 271570a_203496583355_200011661555 [0,2,0,0,0,0|1,0,1]=4 1972 B12R1.30 C/C=C/CC(=O)c1ccccc1 1458a_100000185807_100102629194 [0,2,0,0,0,0|2,0,0]=4 1973 B12R1.30 C/C=C/CN(C)c1ccccc1 269982a_100000210012_100102629194 [0,2,0,0,0,0|2,0,0]=4 1974 B12R1.30 C/C=C/CN(C)c1ccccc1 34a_100000210012_100102629194 [0,2,0,0,0,0|2,0,0]=4 1975 B12R1.30 CC(NCCO)c1ccccc1 2230a_100016997473_100000230085 [0,2,0,0,0,0|1,0,1]=4 1976 B12R1.30 CC(NCCO)c1ccccc1 269862a_100000210304_100000185851 [0,2,0,0,0,0|1,0,1]=4 1977 B12R1.30 CC(NCCO)c1ccccc1 34a_100016990907_100000211855 [0,2,0,0,0,0|1,0,1]=4 1978 B12R1.30 CC(SCCO)c1ccccc1 62a_100000211926_100000230085 [0,2,0,0,0,0|1,0,1]=4 1979 B12R1.30 CC(SCCO)c1ccccc1 62a_100000230085_100000211926 [0,2,0,0,0,0|1,0,1]=4 1980 B12R1.30 CC=CCC(=O)c1ccccc1 1458a_100000185807_100000070051 [0,2,0,0,0,0|2,0,0]=4 1981 B12R1.30 CC=CCN(C)c1ccccc1 2230a_100000210012_100000070051 [0,2,0,0,0,0|2,0,0]=4 1982 B12R1.30 CC=CCN(C)c1ccccc1 34a_100000210012_100000070051 [0,2,0,0,0,0|2,0,0]=4 1983 B12R1.30 CN(CCCO)c1ccccc1 2230a_100000210012_100000230001 [0,2,0,0,0,0|1,0,1]=4 1984 B12R1.30 CN(CCCO)c1ccccc1 2230a_100000212590_200000210301 [0,2,0,0,0,0|1,0,1]=4 1985 B12R1.30 CN(CCCO)c1ccccc1 269982a_100000210012_100011215043 [0,2,0,0,0,0|1,0,1]=4 1986 B12R1.30 CN(CCCO)c1ccccc1 269982a_100000212590_200000210301 [0,2,0,0,0,0|1,0,1]=4 1987 B12R1.30 CN(CCCO)c1ccccc1 34a_100000210012_100000230001 [0,2,0,0,0,0|1,0,1]=4 1988 B12R1.30 CN(CCCO)c1ccccc1 34a_100000212590_200000210301 [0,2,0,0,0,0|1,0,1]=4 1989 B12R1.30 COCC[C@@H](O)c1ccccc1 34a_100138415774_100000729684 [0,2,0,0,0,0|1,0,1]=4 1990 B12R1.30 COCC[C@H](N)c1ccccc1 34a_100025705951_200000210301 [0,2,0,0,0,0|1,0,1]=4 1991 B12R1.30 COCN[C@H](C)c1ccccc1 2230a_100000751104_100000766300 [0,2,0,0,0,0|2,0,0]=4 1992 B12R1.30 COCSC(C)c1ccccc1 62a_100000230085_100000766300 [0,2,0,0,0,0|2,0,0]=4 1993 B12R1.30 COCSC(C)c1ccccc1 62a_100000766300_100000230085 [0,2,0,0,0,0|2,0,0]=4 1994 B12R1.30 C[C@@H](NCCO)c1ccccc1 2230a_100000751104_100000211926 [0,2,0,0,0,0|1,0,1]=4 1995 B12R1.30 C[C@@H](OCCO)c1ccccc1 34a_100000761318_100000211926 [0,2,0,0,0,0|1,0,1]=4 1996 B12R1.30 C[C@@H](OCCO)c1ccccc1 7a_100000761318_100000211926 [0,2,0,0,0,0|1,0,1]=4 1997 B12R1.30 O=C(CCCO)c1ccccc1 1458a_100000185807_100011215043 [0,2,0,0,0,0|1,0,1]=4 1998 B12R1.30 [13CH3]N(CCCO)c1ccccc1 2230a_100000212590_200025704644 [0,2,0,0,0,0|1,0,1]=4 1999 B12R1.30 [13CH3]N(CCCO)c1ccccc1 269982a_100000212590_200025704644 [0,2,0,0,0,0|1,0,1]=4 2000 B12R1.30 [13CH3]N(CCCO)c1ccccc1 34a_100000212590_200025704644 [0,2,0,0,0,0|1,0,1]=4 2001 B12R1.30 [13CH3]OCC[C@H](N)c1ccccc1 34a_100025705951_200025704644 [0,2,0,0,0,0|1,0,1]=4 2002 B12R1.34 C#CC(=O)C(C)c1ccccc1 1458a_100000211873_100000230085 [0,2,0,0,0,0|2,0,0]=4 2003 B12R1.34 C=CC(=O)C(C)c1ccccc1 1458a_100000185746_100000230085 [0,2,0,0,0,0|2,0,0]=4 2004 B12R1.34 CC(C(=O)CO)c1ccccc1 1458a_100000210174_100000230085 [0,2,0,0,0,0|1,0,0]=3 2005 B12R1.34 CCC(=O)C(C)c1ccccc1 1458a_100000210414_100000230085 [0,2,0,0,0,0|2,0,0]=4 2006 B12R1.34 CCC(=O)C(F)c1ccccc1 1458a_100000698975_100000210202 [0,2,0,0,0,0|2,0,0]=4 2007 B12R1.34 CCC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_100000210202 [0,2,0,0,0,0|2,0,0]=4 2008 B12R1.34 CCC(=O)[C@H](O)c1ccccc1 1458a_100000684486_100000210202 [0,2,0,0,0,0|2,0,0]=4 2009 B12R1.34 CN(C(=O)CO)c1ccccc1 22a_100000210012_100000210174 [0,2,0,0,0,0|2,0,0]=4 2010 B12R1.34 CNC(=O)C(F)c1ccccc1 11a_106832991635_100000698975 [0,2,0,0,0,0|1,0,1]=4 2011 B12R1.34 CNC(=O)C(F)c1ccccc1 1626a_100102657272_100000698975 [0,2,0,0,0,0|1,0,1]=4 2012 B12R1.34 CNC(=O)C(F)c1ccccc1 240690a_100102657272_100000698975 [0,2,0,0,0,0|1,0,1]=4 2013 B12R1.34 CNC(=O)C(F)c1ccccc1 527a_100102657272_100000698975 [0,2,0,0,0,0|1,0,1]=4 2014 B12R1.34 CNC(=O)[C@@H](C)c1ccccc1 11a_106832991635_100000751047 [0,2,0,0,0,0|1,0,1]=4 2015 B12R1.34 CNC(=O)[C@@H](C)c1ccccc1 1626a_100102657272_100000751047 [0,2,0,0,0,0|1,0,1]=4 2016 B12R1.34 CNC(=O)[C@@H](C)c1ccccc1 240690a_100102657272_100000751047 [0,2,0,0,0,0|1,0,1]=4 2017 B12R1.34 CNC(=O)[C@@H](C)c1ccccc1 527a_100102657272_100000751047 [0,2,0,0,0,0|1,0,1]=4 2018 B12R1.34 CNC(=O)[C@H](O)c1ccccc1 240690a_100102657272_100000684486 [0,2,0,0,0,0|1,0,1]=4 2019 B12R1.34 C[C@H](C(=O)CF)c1ccccc1 1458a_100000751047_100015361967 [0,2,0,0,0,0|2,0,0]=4 2020 B12R1.34 O=C(CF)C(F)c1ccccc1 1458a_100000698975_100015361967 [0,2,0,0,0,0|2,0,0]=4 2021 B12R1.34 O=C(CF)[C@H](O)c1ccccc1 1458a_100000684486_100015361967 [0,2,0,0,0,0|2,0,0]=4 2022 B12R1.121 C=Cc1ccccc1CCCO 271570a_100011290941_100000699526 [0,2,0,0,0,0|1,0,1]=4 2023 B12R1.121 CSc1ccccc1CCCO 62a_100000699526_200000210301 [0,2,0,0,0,0|1,0,1]=4 2024 B12R1.121 CSc1ccccc1CCCO 62a_200000210301_100000699526 [0,2,0,0,0,0|1,0,1]=4 2025 B12R1.121 [13CH3]Sc1ccccc1CCCO 62a_100000699526_200025704644 [0,2,0,0,0,0|1,0,1]=4 2026 B12R1.121 [13CH3]Sc1ccccc1CCCO 62a_200025704644_100000699526 [0,2,0,0,0,0|1,0,1]=4 2027 B12R1.125 CC(O)C=Cc1ccccc1Br 271570a_200011019289_100000695589 [0,2,0,0,0,0|1,0,1]=4 2028 B12R1.125 CC(O)C=Cc1ccccc1Cl 271570a_200011019289_100000764095 [0,2,0,0,0,0|1,0,1]=4 2029 B12R1.125 CC(O)C=Cc1ccccc1F 271570a_200011019289_100011215700 [0,2,0,0,0,0|1,0,1]=4 2030 B12R1.125 CC(O)C=Cc1ccccc1N 271570a_200011019289_100000210017 [0,2,0,0,0,0|1,0,1]=4 2031 B12R1.125 CC(O)C=Cc1ccccc1O 271570a_200011019289_100000739446 [0,2,0,0,0,0|1,0,1]=4 2032 B12R1.125 Cc1ccccc1C=CC(C)O 271570a_200011019289_100000210755 [0,2,0,0,0,0|1,0,1]=4 2033 B12R1.267 C/C=C/CNc1ccccc1Br 34a_100000210017_100102629194 [0,2,0,0,0,0|2,0,0]=4 2034 B12R1.267 C/C=C/CNc1ccccc1C 34a_100015192222_100102629194 [0,2,0,0,0,0|2,0,0]=4 2035 B12R1.267 C/C=C/CNc1ccccc1Cl 34a_100000185783_100102629194 [0,2,0,0,0,0|2,0,0]=4 2036 B12R1.267 C/C=C/CNc1ccccc1F 34a_100000210422_100102629194 [0,2,0,0,0,0|2,0,0]=4 2037 B12R1.267 C/C=C/CNc1ccccc1I 34a_100000210053_100102629194 [0,2,0,0,0,0|2,0,0]=4 2038 B12R1.267 C/C=C/CNc1ccccc1O 34a_100000185747_100102629194 [0,2,0,0,0,0|2,0,0]=4 2039 B12R1.267 C/C=C/COc1ccccc1Br 34a_100000181306_100102629194 [0,2,0,0,0,0|2,0,0]=4 2040 B12R1.267 C/C=C/COc1ccccc1Br 7a_100000181306_100102629194 [0,2,0,0,0,0|2,0,0]=4 2041 B12R1.267 C/C=C/COc1ccccc1C 34a_100000210338_100102629194 [0,2,0,0,0,0|2,0,0]=4 2042 B12R1.267 C/C=C/COc1ccccc1C 7a_100000210338_100102629194 [0,2,0,0,0,0|2,0,0]=4 2043 B12R1.267 C/C=C/COc1ccccc1Cl 34a_100000210172_100102629194 [0,2,0,0,0,0|2,0,0]=4 2044 B12R1.267 C/C=C/COc1ccccc1Cl 7a_100000210172_100102629194 [0,2,0,0,0,0|2,0,0]=4 2045 B12R1.267 C/C=C/COc1ccccc1F 34a_100000210171_100102629194 [0,2,0,0,0,0|2,0,0]=4 2046 B12R1.267 C/C=C/COc1ccccc1F 7a_100000210171_100102629194 [0,2,0,0,0,0|2,0,0]=4 2047 B12R1.267 C/C=C/COc1ccccc1I 34a_100000739446_100102629194 [0,2,0,0,0,0|2,0,0]=4 2048 B12R1.267 C/C=C/COc1ccccc1I 7a_100000739446_100102629194 [0,2,0,0,0,0|2,0,0]=4 2049 B12R1.267 C/C=C/COc1ccccc1N 34a_100000185747_100102629194 [0,2,0,0,0,0|2,0,0]=4 2050 B12R1.267 C/C=C/COc1ccccc1N 7a_100000185747_100102629194 [0,2,0,0,0,0|2,0,0]=4 2051 B12R1.267 C/C=C/CSc1ccccc1Br 62a_100000695589_100102629194 [0,2,0,0,0,0|2,0,0]=4 2052 B12R1.267 C/C=C/CSc1ccccc1Br 62a_100102629194_100000695589 [0,2,0,0,0,0|2,0,0]=4 2053 B12R1.267 C/C=C/CSc1ccccc1C 62a_100000210755_100102629194 [0,2,0,0,0,0|2,0,0]=4 2054 B12R1.267 C/C=C/CSc1ccccc1C 62a_100102629194_100000210755 [0,2,0,0,0,0|2,0,0]=4 2055 B12R1.267 C/C=C/CSc1ccccc1Cl 62a_100000764095_100102629194 [0,2,0,0,0,0|2,0,0]=4 2056 B12R1.267 C/C=C/CSc1ccccc1Cl 62a_100102629194_100000764095 [0,2,0,0,0,0|2,0,0]=4 2057 B12R1.267 C/C=C/CSc1ccccc1F 62a_100011215700_100102629194 [0,2,0,0,0,0|2,0,0]=4 2058 B12R1.267 C/C=C/CSc1ccccc1F 62a_100102629194_100011215700 [0,2,0,0,0,0|2,0,0]=4 2059 B12R1.267 C/C=C/CSc1ccccc1N 62a_100000210017_100102629194 [0,2,0,0,0,0|2,0,0]=4 2060 B12R1.267 C/C=C/CSc1ccccc1N 62a_100102629194_100000210017 [0,2,0,0,0,0|2,0,0]=4 2061 B12R1.267 C/C=C/CSc1ccccc1O 62a_100000739446_100102629194 [0,2,0,0,0,0|2,0,0]=4 2062 B12R1.267 C/C=C/CSc1ccccc1O 62a_100102629194_100000739446 [0,2,0,0,0,0|2,0,0]=4 2063 B12R1.267 CC=CCNc1ccccc1Br 34a_100000210017_100000070051 [0,2,0,0,0,0|2,0,0]=4 2064 B12R1.267 CC=CCNc1ccccc1C 34a_100015192222_100000070051 [0,2,0,0,0,0|2,0,0]=4 2065 B12R1.267 CC=CCNc1ccccc1Cl 34a_100000185783_100000070051 [0,2,0,0,0,0|2,0,0]=4 2066 B12R1.267 CC=CCNc1ccccc1F 34a_100000210422_100000070051 [0,2,0,0,0,0|2,0,0]=4 2067 B12R1.267 CC=CCNc1ccccc1I 34a_100000210053_100000070051 [0,2,0,0,0,0|2,0,0]=4 2068 B12R1.267 CC=CCNc1ccccc1O 34a_100000185747_100000070051 [0,2,0,0,0,0|2,0,0]=4 2069 B12R1.267 CC=CCOc1ccccc1Br 34a_100000181306_100000070051 [0,2,0,0,0,0|2,0,0]=4 2070 B12R1.267 CC=CCOc1ccccc1Br 7a_100000181306_100000070051 [0,2,0,0,0,0|2,0,0]=4 2071 B12R1.267 CC=CCOc1ccccc1C 34a_100000210338_100000070051 [0,2,0,0,0,0|2,0,0]=4 2072 B12R1.267 CC=CCOc1ccccc1C 7a_100000210338_100000070051 [0,2,0,0,0,0|2,0,0]=4 2073 B12R1.267 CC=CCOc1ccccc1Cl 34a_100000210172_100000070051 [0,2,0,0,0,0|2,0,0]=4 2074 B12R1.267 CC=CCOc1ccccc1Cl 7a_100000210172_100000070051 [0,2,0,0,0,0|2,0,0]=4 2075 B12R1.267 CC=CCOc1ccccc1F 34a_100000210171_100000070051 [0,2,0,0,0,0|2,0,0]=4 2076 B12R1.267 CC=CCOc1ccccc1F 7a_100000210171_100000070051 [0,2,0,0,0,0|2,0,0]=4 2077 B12R1.267 CC=CCOc1ccccc1I 34a_100000739446_100000070051 [0,2,0,0,0,0|2,0,0]=4 2078 B12R1.267 CC=CCOc1ccccc1I 7a_100000739446_100000070051 [0,2,0,0,0,0|2,0,0]=4 2079 B12R1.267 CC=CCOc1ccccc1N 34a_100000185747_100000070051 [0,2,0,0,0,0|2,0,0]=4 2080 B12R1.267 CC=CCOc1ccccc1N 7a_100000185747_100000070051 [0,2,0,0,0,0|2,0,0]=4 2081 B12R1.267 CC=CCSc1ccccc1Br 62a_100000070051_100000695589 [0,2,0,0,0,0|2,0,0]=4 2082 B12R1.267 CC=CCSc1ccccc1Br 62a_100000695589_100000070051 [0,2,0,0,0,0|2,0,0]=4 2083 B12R1.267 CC=CCSc1ccccc1C 62a_100000070051_100000210755 [0,2,0,0,0,0|2,0,0]=4 2084 B12R1.267 CC=CCSc1ccccc1C 62a_100000210755_100000070051 [0,2,0,0,0,0|2,0,0]=4 2085 B12R1.267 CC=CCSc1ccccc1Cl 62a_100000070051_100000764095 [0,2,0,0,0,0|2,0,0]=4 2086 B12R1.267 CC=CCSc1ccccc1Cl 62a_100000764095_100000070051 [0,2,0,0,0,0|2,0,0]=4 2087 B12R1.267 CC=CCSc1ccccc1F 62a_100000070051_100011215700 [0,2,0,0,0,0|2,0,0]=4 2088 B12R1.267 CC=CCSc1ccccc1F 62a_100011215700_100000070051 [0,2,0,0,0,0|2,0,0]=4 2089 B12R1.267 CC=CCSc1ccccc1N 62a_100000070051_100000210017 [0,2,0,0,0,0|2,0,0]=4 2090 B12R1.267 CC=CCSc1ccccc1N 62a_100000210017_100000070051 [0,2,0,0,0,0|2,0,0]=4 2091 B12R1.267 CC=CCSc1ccccc1O 62a_100000070051_100000739446 [0,2,0,0,0,0|2,0,0]=4 2092 B12R1.267 CC=CCSc1ccccc1O 62a_100000739446_100000070051 [0,2,0,0,0,0|2,0,0]=4 2093 B12R1.267 CC=NNCc1ccccc1Br 4a_200016993956_200000210099 [0,2,0,0,0,0|2,0,0]=4 2094 B12R1.267 CC=NNCc1ccccc1C 4a_100000737298_200000210099 [0,2,0,0,0,0|2,0,0]=4 2095 B12R1.267 CC=NNCc1ccccc1Cl 4a_100015187261_200000210099 [0,2,0,0,0,0|2,0,0]=4 2096 B12R1.267 CC=NNCc1ccccc1F 4a_100015200773_200000210099 [0,2,0,0,0,0|2,0,0]=4 2097 B12R1.267 COCC=Cc1ccccc1Br 271570a_100016286323_100000695589 [0,2,0,0,0,0|1,0,1]=4 2098 B12R1.267 COCC=Cc1ccccc1C 271570a_100016286323_100000210755 [0,2,0,0,0,0|1,0,1]=4 2099 B12R1.267 COCC=Cc1ccccc1Cl 271570a_100016286323_100000764095 [0,2,0,0,0,0|1,0,1]=4 2100 B12R1.267 COCC=Cc1ccccc1F 271570a_100016286323_100011215700 [0,2,0,0,0,0|1,0,1]=4 2101 B12R1.267 COCC=Cc1ccccc1N 271570a_100016286323_100000210017 [0,2,0,0,0,0|1,0,1]=4 2102 B12R1.267 COCC=Cc1ccccc1O 271570a_100016286323_100000739446 [0,2,0,0,0,0|1,0,1]=4 2103 B12R1.267 COCCCc1ccccc1Br 34a_100000699526_200000210301 [0,2,0,0,0,0|1,0,1]=4 2104 B12R1.267 COCCCc1ccccc1Br 34a_100138415774_200011713681 [0,2,0,0,0,0|1,0,1]=4 2105 B12R1.267 COCCCc1ccccc1Br 7a_100000699526_200000210301 [0,2,0,0,0,0|1,0,1]=4 2106 B12R1.267 COCCCc1ccccc1Cl 34a_100011709251_200000210301 [0,2,0,0,0,0|1,0,1]=4 2107 B12R1.267 COCCCc1ccccc1Cl 7a_100011709251_200000210301 [0,2,0,0,0,0|1,0,1]=4 2108 B12R1.267 COCCCc1ccccc1F 34a_100011709249_200000210301 [0,2,0,0,0,0|1,0,1]=4 2109 B12R1.267 COCCCc1ccccc1F 7a_100011709249_200000210301 [0,2,0,0,0,0|1,0,1]=4 2110 B12R1.267 COCNCc1ccccc1Br 2230a_100000689332_100000766300 [0,2,0,0,0,0|2,0,0]=4 2111 B12R1.267 COCNCc1ccccc1Cl 2230a_100000174879_100000766300 [0,2,0,0,0,0|2,0,0]=4 2112 B12R1.267 COCSCc1ccccc1Br 62a_100000184730_100000766300 [0,2,0,0,0,0|2,0,0]=4 2113 B12R1.267 COCSCc1ccccc1Br 62a_100000766300_100000184730 [0,2,0,0,0,0|2,0,0]=4 2114 B12R1.267 COCSCc1ccccc1C 62a_100000211839_100000766300 [0,2,0,0,0,0|2,0,0]=4 2115 B12R1.267 COCSCc1ccccc1C 62a_100000766300_100000211839 [0,2,0,0,0,0|2,0,0]=4 2116 B12R1.267 COCSCc1ccccc1Cl 62a_100000187162_100000766300 [0,2,0,0,0,0|2,0,0]=4 2117 B12R1.267 COCSCc1ccccc1Cl 62a_100000766300_100000187162 [0,2,0,0,0,0|2,0,0]=4 2118 B12R1.267 COCSCc1ccccc1F 62a_100000211605_100000766300 [0,2,0,0,0,0|2,0,0]=4 2119 B12R1.267 COCSCc1ccccc1F 62a_100000766300_100000211605 [0,2,0,0,0,0|2,0,0]=4 2120 B12R1.267 COCSCc1ccccc1I 62a_100000766300_100011216222 [0,2,0,0,0,0|2,0,0]=4 2121 B12R1.267 COCSCc1ccccc1I 62a_100011216222_100000766300 [0,2,0,0,0,0|2,0,0]=4 2122 B12R1.267 Cc1ccccc1CNCCO 207a_100000210304_100000211143 [0,2,0,0,0,0|1,0,1]=4 2123 B12R1.267 Cc1ccccc1CNCCO 2230a_100016997473_100000211839 [0,2,0,0,0,0|1,0,1]=4 2124 B12R1.267 Cc1ccccc1CNCCO 270004a_100000210304_100000211143 [0,2,0,0,0,0|1,0,1]=4 2125 B12R1.267 Cc1ccccc1CNCCO 34a_100000174972_100000211926 [0,2,0,0,0,0|1,0,1]=4 2126 B12R1.267 Cc1ccccc1CNCCO 34a_100016990907_100000211839 [0,2,0,0,0,0|1,0,1]=4 2127 B12R1.267 Cc1ccccc1COCCO 34a_100000698903_100000211926 [0,2,0,0,0,0|1,0,1]=4 2128 B12R1.267 Cc1ccccc1COCCO 7a_100000698903_100000211926 [0,2,0,0,0,0|1,0,1]=4 2129 B12R1.267 Cc1ccccc1CSCCO 62a_100000211839_100000211926 [0,2,0,0,0,0|1,0,1]=4 2130 B12R1.267 Cc1ccccc1CSCCO 62a_100000211926_100000211839 [0,2,0,0,0,0|1,0,1]=4 2131 B12R1.267 Cc1ccccc1NCCCO 34a_100015192222_100000230001 [0,2,0,0,0,0|1,0,1]=4 2132 B12R1.267 Cc1ccccc1OCCCO 34a_100000210338_100000230001 [0,2,0,0,0,0|1,0,1]=4 2133 B12R1.267 Cc1ccccc1OCCCO 7a_100000210338_100011215043 [0,2,0,0,0,0|1,0,1]=4 2134 B12R1.267 Cc1ccccc1SCCCO 62a_100000210755_100011215043 [0,2,0,0,0,0|1,0,1]=4 2135 B12R1.267 Cc1ccccc1SCCCO 62a_100011215043_100000210755 [0,2,0,0,0,0|1,0,1]=4 2136 B12R1.267 Nc1ccccc1COCCO 34a_100000212039_100000211926 [0,2,0,0,0,0|1,0,1]=4 2137 B12R1.267 Nc1ccccc1OCCCO 34a_100000185747_100000230001 [0,2,0,0,0,0|1,0,1]=4 2138 B12R1.267 Nc1ccccc1OCCCO 7a_100000185747_100011215043 [0,2,0,0,0,0|1,0,1]=4 2139 B12R1.267 Nc1ccccc1SCCCO 62a_100000210017_100011215043 [0,2,0,0,0,0|1,0,1]=4 2140 B12R1.267 Nc1ccccc1SCCCO 62a_100011215043_100000210017 [0,2,0,0,0,0|1,0,1]=4 2141 B12R1.267 OCCCCc1ccccc1O 271570a_203496583355_100012092669 [0,2,0,0,0,0|1,0,1]=4 2142 B12R1.267 OCCCNc1ccccc1Br 34a_100000210017_100000230001 [0,2,0,0,0,0|1,0,1]=4 2143 B12R1.267 OCCCNc1ccccc1Cl 34a_100000185783_100000230001 [0,2,0,0,0,0|1,0,1]=4 2144 B12R1.267 OCCCNc1ccccc1F 34a_100000210422_100000230001 [0,2,0,0,0,0|1,0,1]=4 2145 B12R1.267 OCCCNc1ccccc1I 34a_100000210053_100000230001 [0,2,0,0,0,0|1,0,1]=4 2146 B12R1.267 OCCCNc1ccccc1O 34a_100000185747_100000230001 [0,2,0,0,0,0|1,0,1]=4 2147 B12R1.267 OCCCOc1ccccc1Br 34a_100000181306_100000230001 [0,2,0,0,0,0|1,0,1]=4 2148 B12R1.267 OCCCOc1ccccc1Br 7a_100000181306_100011215043 [0,2,0,0,0,0|1,0,1]=4 2149 B12R1.267 OCCCOc1ccccc1Cl 34a_100000210172_100000230001 [0,2,0,0,0,0|1,0,1]=4 2150 B12R1.267 OCCCOc1ccccc1Cl 7a_100000210172_100011215043 [0,2,0,0,0,0|1,0,1]=4 2151 B12R1.267 OCCCOc1ccccc1F 34a_100000210171_100000230001 [0,2,0,0,0,0|1,0,1]=4 2152 B12R1.267 OCCCOc1ccccc1F 7a_100000210171_100011215043 [0,2,0,0,0,0|1,0,1]=4 2153 B12R1.267 OCCCOc1ccccc1I 34a_100000739446_100000230001 [0,2,0,0,0,0|1,0,1]=4 2154 B12R1.267 OCCCOc1ccccc1I 7a_100000739446_100011215043 [0,2,0,0,0,0|1,0,1]=4 2155 B12R1.267 OCCCSc1ccccc1Br 62a_100000695589_100011215043 [0,2,0,0,0,0|1,0,1]=4 2156 B12R1.267 OCCCSc1ccccc1Br 62a_100011215043_100000695589 [0,2,0,0,0,0|1,0,1]=4 2157 B12R1.267 OCCCSc1ccccc1Cl 62a_100000764095_100011215043 [0,2,0,0,0,0|1,0,1]=4 2158 B12R1.267 OCCCSc1ccccc1Cl 62a_100011215043_100000764095 [0,2,0,0,0,0|1,0,1]=4 2159 B12R1.267 OCCCSc1ccccc1F 62a_100011215043_100011215700 [0,2,0,0,0,0|1,0,1]=4 2160 B12R1.267 OCCCSc1ccccc1F 62a_100011215700_100011215043 [0,2,0,0,0,0|1,0,1]=4 2161 B12R1.267 OCCCSc1ccccc1O 62a_100000739446_100011215043 [0,2,0,0,0,0|1,0,1]=4 2162 B12R1.267 OCCCSc1ccccc1O 62a_100011215043_100000739446 [0,2,0,0,0,0|1,0,1]=4 2163 B12R1.267 OCCNCc1ccccc1Br 207a_100000210304_100000211189 [0,2,0,0,0,0|1,0,1]=4 2164 B12R1.267 OCCNCc1ccccc1Br 2230a_100000689332_100000211926 [0,2,0,0,0,0|1,0,1]=4 2165 B12R1.267 OCCNCc1ccccc1Br 2230a_100016997473_100000184730 [0,2,0,0,0,0|1,0,1]=4 2166 B12R1.267 OCCNCc1ccccc1Br 270004a_100000210304_100000211189 [0,2,0,0,0,0|1,0,1]=4 2167 B12R1.267 OCCNCc1ccccc1Br 34a_100000689332_100000211926 [0,2,0,0,0,0|1,0,1]=4 2168 B12R1.267 OCCNCc1ccccc1Br 34a_100016990907_100000184730 [0,2,0,0,0,0|1,0,1]=4 2169 B12R1.267 OCCNCc1ccccc1Cl 207a_100000210304_100000210073 [0,2,0,0,0,0|1,0,1]=4 2170 B12R1.267 OCCNCc1ccccc1Cl 2230a_100000174879_100000211926 [0,2,0,0,0,0|1,0,1]=4 2171 B12R1.267 OCCNCc1ccccc1Cl 2230a_100016997473_100000187162 [0,2,0,0,0,0|1,0,1]=4 2172 B12R1.267 OCCNCc1ccccc1Cl 270004a_100000210304_100000210073 [0,2,0,0,0,0|1,0,1]=4 2173 B12R1.267 OCCNCc1ccccc1Cl 34a_100000174879_100000211926 [0,2,0,0,0,0|1,0,1]=4 2174 B12R1.267 OCCNCc1ccccc1Cl 34a_100016990907_100000187162 [0,2,0,0,0,0|1,0,1]=4 2175 B12R1.267 OCCNCc1ccccc1F 207a_100000210304_100000210811 [0,2,0,0,0,0|1,0,1]=4 2176 B12R1.267 OCCNCc1ccccc1F 2230a_100016997473_100000211605 [0,2,0,0,0,0|1,0,1]=4 2177 B12R1.267 OCCNCc1ccccc1F 270004a_100000210304_100000210811 [0,2,0,0,0,0|1,0,1]=4 2178 B12R1.267 OCCNCc1ccccc1F 34a_100000174869_100000211926 [0,2,0,0,0,0|1,0,1]=4 2179 B12R1.267 OCCNCc1ccccc1F 34a_100016990907_100000211605 [0,2,0,0,0,0|1,0,1]=4 2180 B12R1.267 OCCNCc1ccccc1I 207a_100000210304_100000010305 [0,2,0,0,0,0|1,0,1]=4 2181 B12R1.267 OCCNCc1ccccc1I 2230a_100016997473_100011215278 [0,2,0,0,0,0|1,0,1]=4 2182 B12R1.267 OCCNCc1ccccc1I 270004a_100000210304_100000010305 [0,2,0,0,0,0|1,0,1]=4 2183 B12R1.267 OCCNCc1ccccc1I 34a_100016990907_100011215278 [0,2,0,0,0,0|1,0,1]=4 2184 B12R1.267 OCCNCc1ccccc1O 271570a_203496583355_106744479749 [0,2,0,0,0,0|1,0,1]=4 2185 B12R1.267 OCCNCc1ccccc1O 34a_100000185550_100000211926 [0,2,0,0,0,0|1,0,1]=4 2186 B12R1.267 OCCOCc1ccccc1Br 34a_100000756307_100000211926 [0,2,0,0,0,0|1,0,1]=4 2187 B12R1.267 OCCOCc1ccccc1Br 7a_100000756307_100000211926 [0,2,0,0,0,0|1,0,1]=4 2188 B12R1.267 OCCOCc1ccccc1Cl 34a_100000210847_100000211926 [0,2,0,0,0,0|1,0,1]=4 2189 B12R1.267 OCCOCc1ccccc1Cl 7a_100000210847_100000211926 [0,2,0,0,0,0|1,0,1]=4 2190 B12R1.267 OCCOCc1ccccc1F 34a_100000211962_100000211926 [0,2,0,0,0,0|1,0,1]=4 2191 B12R1.267 OCCOCc1ccccc1F 7a_100000211962_100000211926 [0,2,0,0,0,0|1,0,1]=4 2192 B12R1.267 OCCOCc1ccccc1I 34a_100000187465_100000211926 [0,2,0,0,0,0|1,0,1]=4 2193 B12R1.267 OCCOCc1ccccc1I 7a_100000187465_100000211926 [0,2,0,0,0,0|1,0,1]=4 2194 B12R1.267 OCCSCc1ccccc1Br 62a_100000184730_100000211926 [0,2,0,0,0,0|1,0,1]=4 2195 B12R1.267 OCCSCc1ccccc1Br 62a_100000211926_100000184730 [0,2,0,0,0,0|1,0,1]=4 2196 B12R1.267 OCCSCc1ccccc1Cl 62a_100000187162_100000211926 [0,2,0,0,0,0|1,0,1]=4 2197 B12R1.267 OCCSCc1ccccc1Cl 62a_100000211926_100000187162 [0,2,0,0,0,0|1,0,1]=4 2198 B12R1.267 OCCSCc1ccccc1F 62a_100000211605_100000211926 [0,2,0,0,0,0|1,0,1]=4 2199 B12R1.267 OCCSCc1ccccc1F 62a_100000211926_100000211605 [0,2,0,0,0,0|1,0,1]=4 2200 B12R1.267 OCCSCc1ccccc1I 62a_100000211926_100011216222 [0,2,0,0,0,0|1,0,1]=4 2201 B12R1.267 OCCSCc1ccccc1I 62a_100011216222_100000211926 [0,2,0,0,0,0|1,0,1]=4 2202 B12R1.267 [13CH3]OCCCc1ccccc1Br 34a_100000699526_200025704644 [0,2,0,0,0,0|1,0,1]=4 2203 B12R1.267 [13CH3]OCCCc1ccccc1Br 7a_100000699526_200025704644 [0,2,0,0,0,0|1,0,1]=4 2204 B12R1.267 [13CH3]OCCCc1ccccc1Cl 34a_100011709251_200025704644 [0,2,0,0,0,0|1,0,1]=4 2205 B12R1.267 [13CH3]OCCCc1ccccc1Cl 7a_100011709251_200025704644 [0,2,0,0,0,0|1,0,1]=4 2206 B12R1.267 [13CH3]OCCCc1ccccc1F 34a_100011709249_200025704644 [0,2,0,0,0,0|1,0,1]=4 2207 B12R1.267 [13CH3]OCCCc1ccccc1F 7a_100011709249_200025704644 [0,2,0,0,0,0|1,0,1]=4 2208 B12R1.371 C#CC(=O)Cc1ccccc1Br 1458a_100000211873_100000184730 [0,2,0,0,0,0|2,0,0]=4 2209 B12R1.371 C#CC(=O)Cc1ccccc1C 1458a_100000211873_100000211839 [0,2,0,0,0,0|2,0,0]=4 2210 B12R1.371 C#CC(=O)Cc1ccccc1Cl 1458a_100000211873_100000187162 [0,2,0,0,0,0|2,0,0]=4 2211 B12R1.371 C#CC(=O)Cc1ccccc1F 1458a_100000211873_100000187165 [0,2,0,0,0,0|2,0,0]=4 2212 B12R1.371 C#CC(=O)Cc1ccccc1I 1458a_100000211873_100011216222 [0,2,0,0,0,0|2,0,0]=4 2213 B12R1.371 C=CC(=O)Cc1ccccc1Br 1458a_100000185746_100000184730 [0,2,0,0,0,0|2,0,0]=4 2214 B12R1.371 C=CC(=O)Cc1ccccc1C 1458a_100000185746_100000211839 [0,2,0,0,0,0|2,0,0]=4 2215 B12R1.371 C=CC(=O)Cc1ccccc1Cl 1458a_100000185746_100000187162 [0,2,0,0,0,0|2,0,0]=4 2216 B12R1.371 C=CC(=O)Cc1ccccc1F 1458a_100000185746_100000187165 [0,2,0,0,0,0|2,0,0]=4 2217 B12R1.371 C=CC(=O)Cc1ccccc1I 1458a_100000185746_100011216222 [0,2,0,0,0,0|2,0,0]=4 2218 B12R1.371 CCC(=O)Cc1ccccc1Br 1458a_100000210414_100000184730 [0,2,0,0,0,0|2,0,0]=4 2219 B12R1.371 CCC(=O)Cc1ccccc1Br 1458a_100000751119_100000210202 [0,2,0,0,0,0|2,0,0]=4 2220 B12R1.371 CCC(=O)Cc1ccccc1C 1458a_100000210414_100000211839 [0,2,0,0,0,0|2,0,0]=4 2221 B12R1.371 CCC(=O)Cc1ccccc1C 1458a_100000212180_100000210202 [0,2,0,0,0,0|2,0,0]=4 2222 B12R1.371 CCC(=O)Cc1ccccc1Cl 1458a_100000183793_100000210202 [0,2,0,0,0,0|2,0,0]=4 2223 B12R1.371 CCC(=O)Cc1ccccc1Cl 1458a_100000210414_100000187162 [0,2,0,0,0,0|2,0,0]=4 2224 B12R1.371 CCC(=O)Cc1ccccc1F 1458a_100000210414_100000187165 [0,2,0,0,0,0|2,0,0]=4 2225 B12R1.371 CCC(=O)Cc1ccccc1F 1458a_100000212012_100000210202 [0,2,0,0,0,0|2,0,0]=4 2226 B12R1.371 CCC(=O)Cc1ccccc1I 1458a_100000036491_100000210202 [0,2,0,0,0,0|2,0,0]=4 2227 B12R1.371 CCC(=O)Cc1ccccc1I 1458a_100000210414_100011216222 [0,2,0,0,0,0|2,0,0]=4 2228 B12R1.371 CCC(=O)Cc1ccccc1O 1458a_100000743006_100000210202 [0,2,0,0,0,0|2,0,0]=4 2229 B12R1.371 CNC(=O)Cc1ccccc1Br 11a_106832991635_100000751119 [0,2,0,0,0,0|1,0,1]=4 2230 B12R1.371 CNC(=O)Cc1ccccc1Br 240690a_100102657272_100000751119 [0,2,0,0,0,0|1,0,1]=4 2231 B12R1.371 CNC(=O)Cc1ccccc1Br 527a_100102657272_100000751119 [0,2,0,0,0,0|1,0,1]=4 2232 B12R1.371 CNC(=O)Cc1ccccc1C 11a_106832991635_100000212180 [0,2,0,0,0,0|1,0,1]=4 2233 B12R1.371 CNC(=O)Cc1ccccc1C 1626a_100102657272_100000212180 [0,2,0,0,0,0|1,0,1]=4 2234 B12R1.371 CNC(=O)Cc1ccccc1C 240690a_100102657272_100000212180 [0,2,0,0,0,0|1,0,1]=4 2235 B12R1.371 CNC(=O)Cc1ccccc1C 527a_100102657272_100000212180 [0,2,0,0,0,0|1,0,1]=4 2236 B12R1.371 CNC(=O)Cc1ccccc1Cl 11a_106832991635_100000183793 [0,2,0,0,0,0|1,0,1]=4 2237 B12R1.371 CNC(=O)Cc1ccccc1Cl 1626a_100102657272_100000183793 [0,2,0,0,0,0|1,0,1]=4 2238 B12R1.371 CNC(=O)Cc1ccccc1Cl 240690a_100102657272_100000183793 [0,2,0,0,0,0|1,0,1]=4 2239 B12R1.371 CNC(=O)Cc1ccccc1Cl 527a_100102657272_100000183793 [0,2,0,0,0,0|1,0,1]=4 2240 B12R1.371 CNC(=O)Cc1ccccc1F 11a_106832991635_100000212012 [0,2,0,0,0,0|1,0,1]=4 2241 B12R1.371 CNC(=O)Cc1ccccc1F 1626a_100102657272_100000212012 [0,2,0,0,0,0|1,0,1]=4 2242 B12R1.371 CNC(=O)Cc1ccccc1F 240690a_100102657272_100000212012 [0,2,0,0,0,0|1,0,1]=4 2243 B12R1.371 CNC(=O)Cc1ccccc1F 527a_100102657272_100000212012 [0,2,0,0,0,0|1,0,1]=4 2244 B12R1.371 CNC(=O)Cc1ccccc1I 11a_106832991635_100000036491 [0,2,0,0,0,0|1,0,1]=4 2245 B12R1.371 CNC(=O)Cc1ccccc1I 1626a_100102657272_100000036491 [0,2,0,0,0,0|1,0,1]=4 2246 B12R1.371 CNC(=O)Cc1ccccc1I 240690a_100102657272_100000036491 [0,2,0,0,0,0|1,0,1]=4 2247 B12R1.371 CNC(=O)Cc1ccccc1I 527a_100102657272_100000036491 [0,2,0,0,0,0|1,0,1]=4 2248 B12R1.371 CNC(=O)Cc1ccccc1O 240690a_100102657272_100000743006 [0,2,0,0,0,0|1,0,1]=4 2249 B12R1.371 CNC(=O)Cc1ccccc1O 271570a_203496583355_200009816160 [0,2,0,0,0,0|1,0,1]=4 2250 B12R1.371 CNC(=O)Cc1ccccc1O 527a_100102657272_100000743006 [0,2,0,0,0,0|1,0,1]=4 2251 B12R1.371 COC(=O)Cc1ccccc1O 271570a_203496583355_100000699816 [0,2,0,0,0,0|2,0,0]=4 2252 B12R1.371 Cc1ccccc1CC(=O)CF 1458a_100000212180_100015361967 [0,2,0,0,0,0|2,0,0]=4 2253 B12R1.371 Cc1ccccc1CC(=O)CO 1458a_100000210174_100000211839 [0,2,0,0,0,0|1,0,0]=3 2254 B12R1.371 Cc1ccccc1NC(=O)CO 22a_100015192222_100000210174 [0,2,0,0,0,0|2,0,0]=4 2255 B12R1.371 Cc1ccccc1NC(=O)CO 527a_100015192222_100000210174 [0,2,0,0,0,0|2,0,0]=4 2256 B12R1.371 Cc1cccnc1CC(=O)CO 1458a_100000210174_100000696600 [0,2,0,0,0,0|2,0,0]=4 2257 B12R1.371 Cc1ccncc1CC(=O)CO 1458a_100000210174_100000690890 [0,2,0,0,0,0|2,0,0]=4 2258 B12R1.371 Cc1cnccc1CC(=O)CO 1458a_100000210174_100020672808 [0,2,0,0,0,0|2,0,0]=4 2259 B12R1.371 Cc1ncccc1CC(=O)CO 1458a_100000210174_100000732876 [0,2,0,0,0,0|2,0,0]=4 2260 B12R1.371 NNC(=O)Cc1ccccc1O 271570a_203496583355_200010210069 [0,2,0,0,0,0|1,0,1]=4 2261 B12R1.371 O=C(CF)Cc1ccccc1Br 1458a_100000751119_100015361967 [0,2,0,0,0,0|2,0,0]=4 2262 B12R1.371 O=C(CF)Cc1ccccc1Cl 1458a_100000183793_100015361967 [0,2,0,0,0,0|2,0,0]=4 2263 B12R1.371 O=C(CF)Cc1ccccc1F 1458a_100000212012_100015361967 [0,2,0,0,0,0|2,0,0]=4 2264 B12R1.371 O=C(CF)Cc1ccccc1I 1458a_100000036491_100015361967 [0,2,0,0,0,0|2,0,0]=4 2265 B12R1.371 O=C(CF)Cc1ccccc1O 1458a_100000743006_100015361967 [0,2,0,0,0,0|2,0,0]=4 2266 B12R1.371 O=C(CO)Cc1ccccc1Br 1458a_100000210174_100000184730 [0,2,0,0,0,0|1,0,0]=3 2267 B12R1.371 O=C(CO)Cc1ccccc1Cl 1458a_100000210174_100000187162 [0,2,0,0,0,0|1,0,0]=3 2268 B12R1.371 O=C(CO)Cc1ccccc1F 1458a_100000210174_100000187165 [0,2,0,0,0,0|1,0,0]=3 2269 B12R1.371 O=C(CO)Cc1ccccc1I 1458a_100000210174_100011216222 [0,2,0,0,0,0|1,0,0]=3 2270 B12R1.371 O=C(CO)Cc1cccnc1Br 1458a_100000210174_100010140945 [0,2,0,0,0,0|2,0,0]=4 2271 B12R1.371 O=C(CO)Cc1cccnc1Cl 1458a_100000210174_100000045678 [0,2,0,0,0,0|2,0,0]=4 2272 B12R1.371 O=C(CO)Cc1cccnc1F 1458a_100000210174_100000099810 [0,2,0,0,0,0|2,0,0]=4 2273 B12R1.371 O=C(CO)Cc1ccncc1Cl 1458a_100000210174_100000763264 [0,2,0,0,0,0|2,0,0]=4 2274 B12R1.371 O=C(CO)Cc1ncccc1Br 1458a_100000210174_100025702911 [0,2,0,0,0,0|2,0,0]=4 2275 B12R1.371 O=C(CO)Cc1ncccc1Cl 1458a_100000210174_100000099807 [0,2,0,0,0,0|2,0,0]=4 2276 B12R1.371 O=C(CO)Cc1ncccc1F 1458a_100000210174_100000104219 [0,2,0,0,0,0|2,0,0]=4 2277 B12R1.371 O=C(CO)Cc1ncccc1O 1458a_100000210174_200020655725 [0,2,0,0,0,0|2,0,0]=4 2278 B12R1.371 O=C(CO)Nc1ccccc1Cl 22a_100000185783_100000210174 [0,2,0,0,0,0|2,0,0]=4 2279 B12R1.371 O=C(CO)Nc1ccccc1Cl 527a_100000185783_100000210174 [0,2,0,0,0,0|2,0,0]=4 2280 B12R1.371 O=C(CO)Nc1ccccc1F 22a_100000210422_100000210174 [0,2,0,0,0,0|2,0,0]=4 2281 B12R1.371 O=C(CO)Nc1ccccc1F 527a_100000210422_100000210174 [0,2,0,0,0,0|2,0,0]=4 2282 B12R1.371 O=C(CO)Nc1ccccc1O 22a_100000185747_100000210174 [0,2,0,0,0,0|2,0,0]=4 2283 B12R1.371 O=C(CO)Nc1ccccc1O 527a_100000185747_100000210174 [0,2,0,0,0,0|2,0,0]=4 2284 B12R1.1631 OCCCc1c(cccc1F)O 271570a_203496583355_100021413403 [0,2,0,0,0,0|1,0,1]=4 2285 B12R1.28 C/C=C/CNc1cccc(c1)Br 34a_100000210019_100102629194 [0,2,0,0,0,0|2,0,0]=4 2286 B12R1.28 C/C=C/CNc1cccc(c1)C 34a_100000188690_100102629194 [0,2,0,0,0,0|2,0,0]=4 2287 B12R1.28 C/C=C/CNc1cccc(c1)Cl 34a_100000185859_100102629194 [0,2,0,0,0,0|2,0,0]=4 2288 B12R1.28 C/C=C/CNc1cccc(c1)F 34a_100000210047_100102629194 [0,2,0,0,0,0|2,0,0]=4 2289 B12R1.28 C/C=C/CNc1cccc(c1)I 34a_100000211102_100102629194 [0,2,0,0,0,0|2,0,0]=4 2290 B12R1.28 C/C=C/CNc1cccc(c1)O 34a_100000210217_100102629194 [0,2,0,0,0,0|2,0,0]=4 2291 B12R1.28 C/C=C/COc1cccc(c1)Br 34a_100000210342_100102629194 [0,2,0,0,0,0|2,0,0]=4 2292 B12R1.28 C/C=C/COc1cccc(c1)Br 7a_100000210342_100102629194 [0,2,0,0,0,0|2,0,0]=4 2293 B12R1.28 C/C=C/COc1cccc(c1)C 34a_100000210337_100102629194 [0,2,0,0,0,0|2,0,0]=4 2294 B12R1.28 C/C=C/COc1cccc(c1)C 7a_100000210337_100102629194 [0,2,0,0,0,0|2,0,0]=4 2295 B12R1.28 C/C=C/COc1cccc(c1)Cl 34a_100000210295_100102629194 [0,2,0,0,0,0|2,0,0]=4 2296 B12R1.28 C/C=C/COc1cccc(c1)Cl 7a_100000210295_100102629194 [0,2,0,0,0,0|2,0,0]=4 2297 B12R1.28 C/C=C/COc1cccc(c1)F 34a_100000210426_100102629194 [0,2,0,0,0,0|2,0,0]=4 2298 B12R1.28 C/C=C/COc1cccc(c1)F 7a_100000210426_100102629194 [0,2,0,0,0,0|2,0,0]=4 2299 B12R1.28 C/C=C/COc1cccc(c1)I 34a_100000211634_100102629194 [0,2,0,0,0,0|2,0,0]=4 2300 B12R1.28 C/C=C/COc1cccc(c1)I 7a_100000211634_100102629194 [0,2,0,0,0,0|2,0,0]=4 2301 B12R1.28 C/C=C/COc1cccc(c1)N 34a_100000210217_100102629194 [0,2,0,0,0,0|2,0,0]=4 2302 B12R1.28 C/C=C/CSc1cccc(c1)Br 62a_100000691529_100102629194 [0,2,0,0,0,0|2,0,0]=4 2303 B12R1.28 C/C=C/CSc1cccc(c1)Br 62a_100102629194_100000691529 [0,2,0,0,0,0|2,0,0]=4 2304 B12R1.28 C/C=C/CSc1cccc(c1)C 62a_100011215228_100102629194 [0,2,0,0,0,0|2,0,0]=4 2305 B12R1.28 C/C=C/CSc1cccc(c1)C 62a_100102629194_100011215228 [0,2,0,0,0,0|2,0,0]=4 2306 B12R1.28 C/C=C/CSc1cccc(c1)Cl 62a_100000699651_100102629194 [0,2,0,0,0,0|2,0,0]=4 2307 B12R1.28 C/C=C/CSc1cccc(c1)Cl 62a_100102629194_100000699651 [0,2,0,0,0,0|2,0,0]=4 2308 B12R1.28 C/C=C/CSc1cccc(c1)F 62a_100000685547_100102629194 [0,2,0,0,0,0|2,0,0]=4 2309 B12R1.28 C/C=C/CSc1cccc(c1)F 62a_100102629194_100000685547 [0,2,0,0,0,0|2,0,0]=4 2310 B12R1.28 C/C=C/CSc1cccc(c1)N 62a_100000210019_100102629194 [0,2,0,0,0,0|2,0,0]=4 2311 B12R1.28 C/C=C/CSc1cccc(c1)N 62a_100102629194_100000210019 [0,2,0,0,0,0|2,0,0]=4 2312 B12R1.28 C/C=C/CSc1cccc(c1)O 62a_100102629194_100000211634 [0,2,0,0,0,0|2,0,0]=4 2313 B12R1.28 C/C=C/CSc1cccc(c1)[S] 62a_100102629194_114929384022 [0,2,0,0,0,0|2,0,0]=4 2314 B12R1.28 C/C=C/CSc1cccc(c1)[S] 62a_114929384022_100102629194 [0,2,0,0,0,0|2,0,0]=4 2315 B12R1.28 CC=CCNc1cccc(c1)Br 34a_100000210019_100000070051 [0,2,0,0,0,0|2,0,0]=4 2316 B12R1.28 CC=CCNc1cccc(c1)C 2230a_100000188690_100000070051 [0,2,0,0,0,0|2,0,0]=4 2317 B12R1.28 CC=CCNc1cccc(c1)C 34a_100000188690_100000070051 [0,2,0,0,0,0|2,0,0]=4 2318 B12R1.28 CC=CCNc1cccc(c1)Cl 34a_100000185859_100000070051 [0,2,0,0,0,0|2,0,0]=4 2319 B12R1.28 CC=CCNc1cccc(c1)F 34a_100000210047_100000070051 [0,2,0,0,0,0|2,0,0]=4 2320 B12R1.28 CC=CCNc1cccc(c1)I 34a_100000211102_100000070051 [0,2,0,0,0,0|2,0,0]=4 2321 B12R1.28 CC=CCNc1cccc(c1)O 34a_100000210217_100000070051 [0,2,0,0,0,0|2,0,0]=4 2322 B12R1.28 CC=CCOc1cccc(c1)Br 34a_100000210342_100000070051 [0,2,0,0,0,0|2,0,0]=4 2323 B12R1.28 CC=CCOc1cccc(c1)Br 7a_100000210342_100000070051 [0,2,0,0,0,0|2,0,0]=4 2324 B12R1.28 CC=CCOc1cccc(c1)C 34a_100000210337_100000070051 [0,2,0,0,0,0|2,0,0]=4 2325 B12R1.28 CC=CCOc1cccc(c1)C 7a_100000210337_100000070051 [0,2,0,0,0,0|2,0,0]=4 2326 B12R1.28 CC=CCOc1cccc(c1)Cl 34a_100000210295_100000070051 [0,2,0,0,0,0|2,0,0]=4 2327 B12R1.28 CC=CCOc1cccc(c1)Cl 7a_100000210295_100000070051 [0,2,0,0,0,0|2,0,0]=4 2328 B12R1.28 CC=CCOc1cccc(c1)F 34a_100000210426_100000070051 [0,2,0,0,0,0|2,0,0]=4 2329 B12R1.28 CC=CCOc1cccc(c1)F 7a_100000210426_100000070051 [0,2,0,0,0,0|2,0,0]=4 2330 B12R1.28 CC=CCOc1cccc(c1)I 34a_100000211634_100000070051 [0,2,0,0,0,0|2,0,0]=4 2331 B12R1.28 CC=CCOc1cccc(c1)I 7a_100000211634_100000070051 [0,2,0,0,0,0|2,0,0]=4 2332 B12R1.28 CC=CCOc1cccc(c1)N 34a_100000210217_100000070051 [0,2,0,0,0,0|2,0,0]=4 2333 B12R1.28 CC=CCSc1cccc(c1)Br 62a_100000070051_100000691529 [0,2,0,0,0,0|2,0,0]=4 2334 B12R1.28 CC=CCSc1cccc(c1)Br 62a_100000691529_100000070051 [0,2,0,0,0,0|2,0,0]=4 2335 B12R1.28 CC=CCSc1cccc(c1)C 62a_100000070051_100011215228 [0,2,0,0,0,0|2,0,0]=4 2336 B12R1.28 CC=CCSc1cccc(c1)C 62a_100011215228_100000070051 [0,2,0,0,0,0|2,0,0]=4 2337 B12R1.28 CC=CCSc1cccc(c1)Cl 62a_100000070051_100000699651 [0,2,0,0,0,0|2,0,0]=4 2338 B12R1.28 CC=CCSc1cccc(c1)Cl 62a_100000699651_100000070051 [0,2,0,0,0,0|2,0,0]=4 2339 B12R1.28 CC=CCSc1cccc(c1)F 62a_100000070051_100000685547 [0,2,0,0,0,0|2,0,0]=4 2340 B12R1.28 CC=CCSc1cccc(c1)F 62a_100000685547_100000070051 [0,2,0,0,0,0|2,0,0]=4 2341 B12R1.28 CC=CCSc1cccc(c1)N 62a_100000070051_100000210019 [0,2,0,0,0,0|2,0,0]=4 2342 B12R1.28 CC=CCSc1cccc(c1)N 62a_100000210019_100000070051 [0,2,0,0,0,0|2,0,0]=4 2343 B12R1.28 CC=CCSc1cccc(c1)O 62a_100000070051_100000211634 [0,2,0,0,0,0|2,0,0]=4 2344 B12R1.28 CC=CCSc1cccc(c1)[S] 62a_100000070051_114929384022 [0,2,0,0,0,0|2,0,0]=4 2345 B12R1.28 CC=CCSc1cccc(c1)[S] 62a_114929384022_100000070051 [0,2,0,0,0,0|2,0,0]=4 2346 B12R1.28 CC=NNCc1cccc(c1)Br 4a_100000686200_200000210099 [0,2,0,0,0,0|2,0,0]=4 2347 B12R1.28 CC=NNCc1cccc(c1)Cl 4a_100000685877_200000210099 [0,2,0,0,0,0|2,0,0]=4 2348 B12R1.28 CC=NNCc1cccc(c1)F 4a_100016993953_200000210099 [0,2,0,0,0,0|2,0,0]=4 2349 B12R1.28 COCC=Cc1cccc(c1)Br 271570a_100016286323_100000691529 [0,2,0,0,0,0|1,0,1]=4 2350 B12R1.28 COCC=Cc1cccc(c1)C 271570a_100016286323_100011215228 [0,2,0,0,0,0|1,0,1]=4 2351 B12R1.28 COCC=Cc1cccc(c1)Cl 271570a_100016286323_100000699651 [0,2,0,0,0,0|1,0,1]=4 2352 B12R1.28 COCC=Cc1cccc(c1)F 271570a_100016286323_100000685547 [0,2,0,0,0,0|1,0,1]=4 2353 B12R1.28 COCC=Cc1cccc(c1)N 271570a_100016286323_100000210019 [0,2,0,0,0,0|1,0,1]=4 2354 B12R1.28 COCC=Cc1cccc(c1)O 271570a_100016286323_100000211634 [0,2,0,0,0,0|1,0,1]=4 2355 B12R1.28 COCC=Cc1cccc(c1)[S] 271570a_100016286323_114929384022 [0,2,0,0,0,0|1,0,1]=4 2356 B12R1.28 COCCCc1cccc(c1)Br 34a_100011709248_200000210301 [0,2,0,0,0,0|1,0,1]=4 2357 B12R1.28 COCCCc1cccc(c1)Br 34a_100138415774_100011713683 [0,2,0,0,0,0|1,0,1]=4 2358 B12R1.28 COCCCc1cccc(c1)Br 7a_100011709248_200000210301 [0,2,0,0,0,0|1,0,1]=4 2359 B12R1.28 COCCCc1cccc(c1)Cl 34a_100011709246_200000210301 [0,2,0,0,0,0|1,0,1]=4 2360 B12R1.28 COCCCc1cccc(c1)Cl 7a_100011709246_200000210301 [0,2,0,0,0,0|1,0,1]=4 2361 B12R1.28 COCCCc1cccc(c1)F 34a_100138415774_200000698031 [0,2,0,0,0,0|1,0,1]=4 2362 B12R1.28 COCCCc1cccc(c1)N 34a_200000698965_200000210301 [0,2,0,0,0,0|1,0,1]=4 2363 B12R1.28 COCCCc1cccc(c1)N 7a_200000698965_200000210301 [0,2,0,0,0,0|1,0,1]=4 2364 B12R1.28 COCNCc1cccc(c1)Br 2230a_100000174977_100000766300 [0,2,0,0,0,0|2,0,0]=4 2365 B12R1.28 COCNCc1cccc(c1)C 2230a_100000185548_100000766300 [0,2,0,0,0,0|2,0,0]=4 2366 B12R1.28 COCNCc1cccc(c1)Cl 2230a_100000174878_100000766300 [0,2,0,0,0,0|2,0,0]=4 2367 B12R1.28 COCNCc1cccc(c1)F 2230a_100000174948_100000766300 [0,2,0,0,0,0|2,0,0]=4 2368 B12R1.28 COCNCc1cccc(c1)I 2230a_100000106179_100000766300 [0,2,0,0,0,0|2,0,0]=4 2369 B12R1.28 COCNCc1cccc(c1)O 2230a_100000743036_100000766300 [0,2,0,0,0,0|2,0,0]=4 2370 B12R1.28 COCSCc1cccc(c1)Br 62a_100000211773_100000766300 [0,2,0,0,0,0|2,0,0]=4 2371 B12R1.28 COCSCc1cccc(c1)Br 62a_100000766300_100000211773 [0,2,0,0,0,0|2,0,0]=4 2372 B12R1.28 COCSCc1cccc(c1)C 62a_100000211840_100000766300 [0,2,0,0,0,0|2,0,0]=4 2373 B12R1.28 COCSCc1cccc(c1)C 62a_100000766300_100000211840 [0,2,0,0,0,0|2,0,0]=4 2374 B12R1.28 COCSCc1cccc(c1)Cl 62a_100000187163_100000766300 [0,2,0,0,0,0|2,0,0]=4 2375 B12R1.28 COCSCc1cccc(c1)Cl 62a_100000766300_100000187163 [0,2,0,0,0,0|2,0,0]=4 2376 B12R1.28 COCSCc1cccc(c1)F 62a_100000230114_100000766300 [0,2,0,0,0,0|2,0,0]=4 2377 B12R1.28 COCSCc1cccc(c1)F 62a_100000766300_100000230114 [0,2,0,0,0,0|2,0,0]=4 2378 B12R1.28 COCSCc1cccc(c1)I 62a_100000766300_100011218688 [0,2,0,0,0,0|2,0,0]=4 2379 B12R1.28 COCSCc1cccc(c1)I 62a_100011218688_100000766300 [0,2,0,0,0,0|2,0,0]=4 2380 B12R1.28 COCSCc1cccc(c1)O 62a_100000766300_100011660834 [0,2,0,0,0,0|2,0,0]=4 2381 B12R1.28 COCSCc1cccc(c1)O 62a_100011660834_100000766300 [0,2,0,0,0,0|2,0,0]=4 2382 B12R1.28 Cc1cccc(c1)CNCCO 207a_100000210304_100000211157 [0,2,0,0,0,0|1,0,1]=4 2383 B12R1.28 Cc1cccc(c1)CNCCO 2230a_100000185548_100000211926 [0,2,0,0,0,0|1,0,1]=4 2384 B12R1.28 Cc1cccc(c1)CNCCO 2230a_100016997473_100000211840 [0,2,0,0,0,0|1,0,1]=4 2385 B12R1.28 Cc1cccc(c1)CNCCO 270004a_100000210304_100000211157 [0,2,0,0,0,0|1,0,1]=4 2386 B12R1.28 Cc1cccc(c1)CNCCO 34a_100000185548_100000211926 [0,2,0,0,0,0|1,0,1]=4 2387 B12R1.28 Cc1cccc(c1)CNCCO 34a_100016990907_100000211840 [0,2,0,0,0,0|1,0,1]=4 2388 B12R1.28 Cc1cccc(c1)COCCO 34a_100011217746_100000211926 [0,2,0,0,0,0|1,0,1]=4 2389 B12R1.28 Cc1cccc(c1)COCCO 7a_100011217746_100000211926 [0,2,0,0,0,0|1,0,1]=4 2390 B12R1.28 Cc1cccc(c1)CSCCO 62a_100000211840_100000211926 [0,2,0,0,0,0|1,0,1]=4 2391 B12R1.28 Cc1cccc(c1)CSCCO 62a_100000211926_100000211840 [0,2,0,0,0,0|1,0,1]=4 2392 B12R1.28 Cc1cccc(c1)NCCCO 2230a_100000188690_100000230001 [0,2,0,0,0,0|1,0,1]=4 2393 B12R1.28 Cc1cccc(c1)NCCCO 34a_100000188690_100000230001 [0,2,0,0,0,0|1,0,1]=4 2394 B12R1.28 Cc1cccc(c1)OCCCO 34a_100000210337_100000230001 [0,2,0,0,0,0|1,0,1]=4 2395 B12R1.28 Cc1cccc(c1)OCCCO 7a_100000210337_100011215043 [0,2,0,0,0,0|1,0,1]=4 2396 B12R1.28 Cc1cccc(c1)SCCCO 62a_100011215043_100011215228 [0,2,0,0,0,0|1,0,1]=4 2397 B12R1.28 Cc1cccc(c1)SCCCO 62a_100011215228_100011215043 [0,2,0,0,0,0|1,0,1]=4 2398 B12R1.28 Nc1cccc(c1)COCCO 34a_100000211919_100000211926 [0,2,0,0,0,0|1,0,1]=4 2399 B12R1.28 Nc1cccc(c1)OCCCO 34a_100000210217_100000230001 [0,2,0,0,0,0|1,0,1]=4 2400 B12R1.28 Nc1cccc(c1)SCCCO 62a_100000210019_100011215043 [0,2,0,0,0,0|1,0,1]=4 2401 B12R1.28 Nc1cccc(c1)SCCCO 62a_100011215043_100000210019 [0,2,0,0,0,0|1,0,1]=4 2402 B12R1.28 OCCCNc1cccc(c1)Br 34a_100000210019_100000230001 [0,2,0,0,0,0|1,0,1]=4 2403 B12R1.28 OCCCNc1cccc(c1)Cl 34a_100000185859_100000230001 [0,2,0,0,0,0|1,0,1]=4 2404 B12R1.28 OCCCNc1cccc(c1)F 34a_100000210047_100000230001 [0,2,0,0,0,0|1,0,1]=4 2405 B12R1.28 OCCCNc1cccc(c1)I 34a_100000211102_100000230001 [0,2,0,0,0,0|1,0,1]=4 2406 B12R1.28 OCCCNc1cccc(c1)O 34a_100000210217_100000230001 [0,2,0,0,0,0|1,0,1]=4 2407 B12R1.28 OCCCOc1cccc(c1)Br 34a_100000210342_100000230001 [0,2,0,0,0,0|1,0,1]=4 2408 B12R1.28 OCCCOc1cccc(c1)Br 7a_100000210342_100011215043 [0,2,0,0,0,0|1,0,1]=4 2409 B12R1.28 OCCCOc1cccc(c1)Cl 34a_100000210295_100000230001 [0,2,0,0,0,0|1,0,1]=4 2410 B12R1.28 OCCCOc1cccc(c1)Cl 7a_100000210295_100011215043 [0,2,0,0,0,0|1,0,1]=4 2411 B12R1.28 OCCCOc1cccc(c1)F 34a_100000210426_100000230001 [0,2,0,0,0,0|1,0,1]=4 2412 B12R1.28 OCCCOc1cccc(c1)F 7a_100000210426_100011215043 [0,2,0,0,0,0|1,0,1]=4 2413 B12R1.28 OCCCOc1cccc(c1)I 34a_100000211634_100000230001 [0,2,0,0,0,0|1,0,1]=4 2414 B12R1.28 OCCCOc1cccc(c1)I 7a_100000211634_100011215043 [0,2,0,0,0,0|1,0,1]=4 2415 B12R1.28 OCCCSc1cccc(c1)Br 62a_100000691529_100011215043 [0,2,0,0,0,0|1,0,1]=4 2416 B12R1.28 OCCCSc1cccc(c1)Br 62a_100011215043_100000691529 [0,2,0,0,0,0|1,0,1]=4 2417 B12R1.28 OCCCSc1cccc(c1)Cl 62a_100000699651_100011215043 [0,2,0,0,0,0|1,0,1]=4 2418 B12R1.28 OCCCSc1cccc(c1)Cl 62a_100011215043_100000699651 [0,2,0,0,0,0|1,0,1]=4 2419 B12R1.28 OCCCSc1cccc(c1)F 62a_100000685547_100011215043 [0,2,0,0,0,0|1,0,1]=4 2420 B12R1.28 OCCCSc1cccc(c1)F 62a_100011215043_100000685547 [0,2,0,0,0,0|1,0,1]=4 2421 B12R1.28 OCCCSc1cccc(c1)O 62a_100011215043_100000211634 [0,2,0,0,0,0|1,0,1]=4 2422 B12R1.28 OCCCSc1cccc(c1)[S] 62a_100011215043_114929384022 [0,2,0,0,0,0|1,0,1]=4 2423 B12R1.28 OCCCSc1cccc(c1)[S] 62a_114929384022_100011215043 [0,2,0,0,0,0|1,0,1]=4 2424 B12R1.28 OCCNCc1cccc(c1)Br 207a_100000210304_100000210085 [0,2,0,0,0,0|1,0,1]=4 2425 B12R1.28 OCCNCc1cccc(c1)Br 2230a_100000174977_100000211926 [0,2,0,0,0,0|1,0,1]=4 2426 B12R1.28 OCCNCc1cccc(c1)Br 2230a_100016997473_100000698116 [0,2,0,0,0,0|1,0,1]=4 2427 B12R1.28 OCCNCc1cccc(c1)Br 270004a_100000210304_100000210085 [0,2,0,0,0,0|1,0,1]=4 2428 B12R1.28 OCCNCc1cccc(c1)Br 34a_100000174977_100000211926 [0,2,0,0,0,0|1,0,1]=4 2429 B12R1.28 OCCNCc1cccc(c1)Br 34a_100016990907_100000698116 [0,2,0,0,0,0|1,0,1]=4 2430 B12R1.28 OCCNCc1cccc(c1)Cl 207a_100000210304_100000210801 [0,2,0,0,0,0|1,0,1]=4 2431 B12R1.28 OCCNCc1cccc(c1)Cl 2230a_100000174878_100000211926 [0,2,0,0,0,0|1,0,1]=4 2432 B12R1.28 OCCNCc1cccc(c1)Cl 2230a_100016997473_100000181238 [0,2,0,0,0,0|1,0,1]=4 2433 B12R1.28 OCCNCc1cccc(c1)Cl 270004a_100000210304_100000210801 [0,2,0,0,0,0|1,0,1]=4 2434 B12R1.28 OCCNCc1cccc(c1)Cl 34a_100000174878_100000211926 [0,2,0,0,0,0|1,0,1]=4 2435 B12R1.28 OCCNCc1cccc(c1)Cl 34a_100016990907_100000187163 [0,2,0,0,0,0|1,0,1]=4 2436 B12R1.28 OCCNCc1cccc(c1)F 207a_100000210304_100000210812 [0,2,0,0,0,0|1,0,1]=4 2437 B12R1.28 OCCNCc1cccc(c1)F 2230a_100000174948_100000211926 [0,2,0,0,0,0|1,0,1]=4 2438 B12R1.28 OCCNCc1cccc(c1)F 2230a_100016997473_100000230114 [0,2,0,0,0,0|1,0,1]=4 2439 B12R1.28 OCCNCc1cccc(c1)F 270004a_100000210304_100000210812 [0,2,0,0,0,0|1,0,1]=4 2440 B12R1.28 OCCNCc1cccc(c1)F 34a_100000174948_100000211926 [0,2,0,0,0,0|1,0,1]=4 2441 B12R1.28 OCCNCc1cccc(c1)F 34a_100016990907_100000187166 [0,2,0,0,0,0|1,0,1]=4 2442 B12R1.28 OCCNCc1cccc(c1)I 207a_100000210304_100000014684 [0,2,0,0,0,0|1,0,1]=4 2443 B12R1.28 OCCNCc1cccc(c1)I 2230a_100000106179_100000211926 [0,2,0,0,0,0|1,0,1]=4 2444 B12R1.28 OCCNCc1cccc(c1)I 2230a_100016997473_100011218688 [0,2,0,0,0,0|1,0,1]=4 2445 B12R1.28 OCCNCc1cccc(c1)I 270004a_100000210304_100000014684 [0,2,0,0,0,0|1,0,1]=4 2446 B12R1.28 OCCNCc1cccc(c1)I 34a_100000106179_100000211926 [0,2,0,0,0,0|1,0,1]=4 2447 B12R1.28 OCCNCc1cccc(c1)I 34a_100016990907_100011218688 [0,2,0,0,0,0|1,0,1]=4 2448 B12R1.28 OCCNCc1cccc(c1)O 207a_100000210304_100000188321 [0,2,0,0,0,0|1,0,1]=4 2449 B12R1.28 OCCNCc1cccc(c1)O 2230a_100000743036_100000211926 [0,2,0,0,0,0|1,0,1]=4 2450 B12R1.28 OCCNCc1cccc(c1)O 2230a_100016997473_100011660834 [0,2,0,0,0,0|1,0,1]=4 2451 B12R1.28 OCCNCc1cccc(c1)O 270004a_100000210304_100000188321 [0,2,0,0,0,0|1,0,1]=4 2452 B12R1.28 OCCNCc1cccc(c1)O 34a_100000743036_100000211926 [0,2,0,0,0,0|1,0,1]=4 2453 B12R1.28 OCCNCc1cccc(c1)O 34a_100016990907_100011660834 [0,2,0,0,0,0|1,0,1]=4 2454 B12R1.28 OCCOCc1cccc(c1)Br 34a_100000687537_100000211926 [0,2,0,0,0,0|1,0,1]=4 2455 B12R1.28 OCCOCc1cccc(c1)Br 7a_100000687537_100000211926 [0,2,0,0,0,0|1,0,1]=4 2456 B12R1.28 OCCOCc1cccc(c1)Cl 34a_100000241301_100000211926 [0,2,0,0,0,0|1,0,1]=4 2457 B12R1.28 OCCOCc1cccc(c1)Cl 7a_100000241301_100000211926 [0,2,0,0,0,0|1,0,1]=4 2458 B12R1.28 OCCOCc1cccc(c1)F 34a_100000210976_100000211926 [0,2,0,0,0,0|1,0,1]=4 2459 B12R1.28 OCCOCc1cccc(c1)F 7a_100000210976_100000211926 [0,2,0,0,0,0|1,0,1]=4 2460 B12R1.28 OCCOCc1cccc(c1)I 34a_100011215336_100000211926 [0,2,0,0,0,0|1,0,1]=4 2461 B12R1.28 OCCOCc1cccc(c1)I 7a_100011215336_100000211926 [0,2,0,0,0,0|1,0,1]=4 2462 B12R1.28 OCCSCc1cccc(c1)Br 62a_100000211773_100000211926 [0,2,0,0,0,0|1,0,1]=4 2463 B12R1.28 OCCSCc1cccc(c1)Br 62a_100000211926_100000211773 [0,2,0,0,0,0|1,0,1]=4 2464 B12R1.28 OCCSCc1cccc(c1)Cl 62a_100000187163_100000211926 [0,2,0,0,0,0|1,0,1]=4 2465 B12R1.28 OCCSCc1cccc(c1)Cl 62a_100000211926_100000187163 [0,2,0,0,0,0|1,0,1]=4 2466 B12R1.28 OCCSCc1cccc(c1)F 62a_100000211926_100000230114 [0,2,0,0,0,0|1,0,1]=4 2467 B12R1.28 OCCSCc1cccc(c1)F 62a_100000230114_100000211926 [0,2,0,0,0,0|1,0,1]=4 2468 B12R1.28 OCCSCc1cccc(c1)I 62a_100000211926_100011218688 [0,2,0,0,0,0|1,0,1]=4 2469 B12R1.28 OCCSCc1cccc(c1)I 62a_100011218688_100000211926 [0,2,0,0,0,0|1,0,1]=4 2470 B12R1.28 OCCSCc1cccc(c1)O 62a_100000211926_100011660834 [0,2,0,0,0,0|1,0,1]=4 2471 B12R1.28 OCCSCc1cccc(c1)O 62a_100011660834_100000211926 [0,2,0,0,0,0|1,0,1]=4 2472 B12R1.28 [13CH3]OCCCc1cccc(c1)Br 34a_100011709248_200025704644 [0,2,0,0,0,0|1,0,1]=4 2473 B12R1.28 [13CH3]OCCCc1cccc(c1)Br 7a_100011709248_200025704644 [0,2,0,0,0,0|1,0,1]=4 2474 B12R1.28 [13CH3]OCCCc1cccc(c1)Cl 34a_100011709246_200025704644 [0,2,0,0,0,0|1,0,1]=4 2475 B12R1.28 [13CH3]OCCCc1cccc(c1)Cl 7a_100011709246_200025704644 [0,2,0,0,0,0|1,0,1]=4 2476 B12R1.28 [13CH3]OCCCc1cccc(c1)N 34a_200000698965_200025704644 [0,2,0,0,0,0|1,0,1]=4 2477 B12R1.28 [13CH3]OCCCc1cccc(c1)N 7a_200000698965_200025704644 [0,2,0,0,0,0|1,0,1]=4 2478 B12R1.50 C#CC(=O)Cc1cccc(c1)Br 1458a_100000211873_100000211773 [0,2,0,0,0,0|2,0,0]=4 2479 B12R1.50 C#CC(=O)Cc1cccc(c1)C 1458a_100000211873_100000211840 [0,2,0,0,0,0|2,0,0]=4 2480 B12R1.50 C#CC(=O)Cc1cccc(c1)Cl 1458a_100000211873_100000181238 [0,2,0,0,0,0|2,0,0]=4 2481 B12R1.50 C#CC(=O)Cc1cccc(c1)F 1458a_100000211873_100000230114 [0,2,0,0,0,0|2,0,0]=4 2482 B12R1.50 C#CC(=O)Cc1cccc(c1)I 1458a_100000211873_100011218688 [0,2,0,0,0,0|2,0,0]=4 2483 B12R1.50 C#CC(=O)Cc1cccc(c1)O 1458a_100000211873_100011660834 [0,2,0,0,0,0|2,0,0]=4 2484 B12R1.50 C=CC(=O)Cc1cccc(c1)Br 1458a_100000185746_100000211773 [0,2,0,0,0,0|2,0,0]=4 2485 B12R1.50 C=CC(=O)Cc1cccc(c1)C 1458a_100000185746_100000211840 [0,2,0,0,0,0|2,0,0]=4 2486 B12R1.50 C=CC(=O)Cc1cccc(c1)Cl 1458a_100000185746_100000181238 [0,2,0,0,0,0|2,0,0]=4 2487 B12R1.50 C=CC(=O)Cc1cccc(c1)F 1458a_100000185746_100000230114 [0,2,0,0,0,0|2,0,0]=4 2488 B12R1.50 C=CC(=O)Cc1cccc(c1)I 1458a_100000185746_100011218688 [0,2,0,0,0,0|2,0,0]=4 2489 B12R1.50 C=CC(=O)Cc1cccc(c1)O 1458a_100000185746_100011660834 [0,2,0,0,0,0|2,0,0]=4 2490 B12R1.50 CCC(=O)Cc1cccc(c1)Br 1458a_100000210414_100000211773 [0,2,0,0,0,0|2,0,0]=4 2491 B12R1.50 CCC(=O)Cc1cccc(c1)Br 1458a_100000747190_100000210202 [0,2,0,0,0,0|2,0,0]=4 2492 B12R1.50 CCC(=O)Cc1cccc(c1)C 1458a_100000210414_100000211840 [0,2,0,0,0,0|2,0,0]=4 2493 B12R1.50 CCC(=O)Cc1cccc(c1)C 1458a_100011206899_100000210202 [0,2,0,0,0,0|2,0,0]=4 2494 B12R1.50 CCC(=O)Cc1cccc(c1)Cl 1458a_100000210414_100000181238 [0,2,0,0,0,0|2,0,0]=4 2495 B12R1.50 CCC(=O)Cc1cccc(c1)Cl 1458a_100000749307_100000210202 [0,2,0,0,0,0|2,0,0]=4 2496 B12R1.50 CCC(=O)Cc1cccc(c1)F 1458a_100000210414_100000230114 [0,2,0,0,0,0|2,0,0]=4 2497 B12R1.50 CCC(=O)Cc1cccc(c1)F 1458a_100000211661_100000210202 [0,2,0,0,0,0|2,0,0]=4 2498 B12R1.50 CCC(=O)Cc1cccc(c1)I 1458a_100000210414_100011218688 [0,2,0,0,0,0|2,0,0]=4 2499 B12R1.50 CCC(=O)Cc1cccc(c1)I 1458a_100000238430_100000210202 [0,2,0,0,0,0|2,0,0]=4 2500 B12R1.50 CCC(=O)Cc1cccc(c1)O 1458a_100000210414_100011660834 [0,2,0,0,0,0|2,0,0]=4 2501 B12R1.50 CCC(=O)Cc1cccc(c1)O 1458a_100000745134_100000210202 [0,2,0,0,0,0|2,0,0]=4 2502 B12R1.50 CNC(=O)Cc1cccc(c1)Br 11a_106832991635_100000747190 [0,2,0,0,0,0|1,0,1]=4 2503 B12R1.50 CNC(=O)Cc1cccc(c1)Br 240690a_100102657272_100000747190 [0,2,0,0,0,0|1,0,1]=4 2504 B12R1.50 CNC(=O)Cc1cccc(c1)Br 527a_100102657272_100000747190 [0,2,0,0,0,0|1,0,1]=4 2505 B12R1.50 CNC(=O)Cc1cccc(c1)C 11a_106832991635_100011206899 [0,2,0,0,0,0|1,0,1]=4 2506 B12R1.50 CNC(=O)Cc1cccc(c1)C 1626a_100102657272_100011206899 [0,2,0,0,0,0|1,0,1]=4 2507 B12R1.50 CNC(=O)Cc1cccc(c1)C 240690a_100102657272_100011206899 [0,2,0,0,0,0|1,0,1]=4 2508 B12R1.50 CNC(=O)Cc1cccc(c1)C 527a_100102657272_100011206899 [0,2,0,0,0,0|1,0,1]=4 2509 B12R1.50 CNC(=O)Cc1cccc(c1)Cl 11a_106832991635_100000749307 [0,2,0,0,0,0|1,0,1]=4 2510 B12R1.50 CNC(=O)Cc1cccc(c1)Cl 1626a_100102657272_100000749307 [0,2,0,0,0,0|1,0,1]=4 2511 B12R1.50 CNC(=O)Cc1cccc(c1)Cl 240690a_100102657272_100000749307 [0,2,0,0,0,0|1,0,1]=4 2512 B12R1.50 CNC(=O)Cc1cccc(c1)Cl 527a_100102657272_100000749307 [0,2,0,0,0,0|1,0,1]=4 2513 B12R1.50 CNC(=O)Cc1cccc(c1)F 11a_106832991635_100000211661 [0,2,0,0,0,0|1,0,1]=4 2514 B12R1.50 CNC(=O)Cc1cccc(c1)F 1626a_100102657272_100000211661 [0,2,0,0,0,0|1,0,1]=4 2515 B12R1.50 CNC(=O)Cc1cccc(c1)F 240690a_100102657272_100000211661 [0,2,0,0,0,0|1,0,1]=4 2516 B12R1.50 CNC(=O)Cc1cccc(c1)F 527a_100102657272_100000211661 [0,2,0,0,0,0|1,0,1]=4 2517 B12R1.50 CNC(=O)Cc1cccc(c1)I 11a_106832991635_100000238430 [0,2,0,0,0,0|1,0,1]=4 2518 B12R1.50 CNC(=O)Cc1cccc(c1)I 1626a_100102657272_100000238430 [0,2,0,0,0,0|1,0,1]=4 2519 B12R1.50 CNC(=O)Cc1cccc(c1)I 240690a_100102657272_100000238430 [0,2,0,0,0,0|1,0,1]=4 2520 B12R1.50 CNC(=O)Cc1cccc(c1)I 527a_100102657272_100000238430 [0,2,0,0,0,0|1,0,1]=4 2521 B12R1.50 CNC(=O)Cc1cccc(c1)O 240690a_100102657272_100000745134 [0,2,0,0,0,0|1,0,1]=4 2522 B12R1.50 CNC(=O)Cc1cccc(c1)O 527a_100102657272_100000745134 [0,2,0,0,0,0|1,0,1]=4 2523 B12R1.50 COC(=O)Cc1cccc(c1)O 271570a_203496583355_100000699549 [0,2,0,0,0,0|2,0,0]=4 2524 B12R1.50 Cc1cc(ccn1)CC(=O)CO 1458a_100000210174_200020672517 [0,2,0,0,0,0|2,0,0]=4 2525 B12R1.50 Cc1cccc(c1)CC(=O)CF 1458a_100011206899_100015361967 [0,2,0,0,0,0|2,0,0]=4 2526 B12R1.50 Cc1cccc(c1)CC(=O)CO 1458a_100000210174_100000211840 [0,2,0,0,0,0|1,0,0]=3 2527 B12R1.50 Cc1cccc(c1)NC(=O)CO 22a_100000188690_100000210174 [0,2,0,0,0,0|2,0,0]=4 2528 B12R1.50 Cc1cccc(c1)NC(=O)CO 527a_100000188690_100000210174 [0,2,0,0,0,0|2,0,0]=4 2529 B12R1.50 Cc1cccc(n1)CC(=O)CO 1458a_100000210174_100000757606 [0,2,0,0,0,0|2,0,0]=4 2530 B12R1.50 Cc1ccnc(c1)CC(=O)CO 1458a_100000210174_100000718516 [0,2,0,0,0,0|2,0,0]=4 2531 B12R1.50 Cc1cncc(c1)CC(=O)CO 1458a_100000210174_100000716715 [0,2,0,0,0,0|2,0,0]=4 2532 B12R1.50 NC(CO)Cc1cccc(c1)O 271570a_203496583355_114802770106 [0,2,0,0,0,0|1,0,1]=4 2533 B12R1.50 O=C(CF)Cc1cccc(c1)Br 1458a_100000747190_100015361967 [0,2,0,0,0,0|2,0,0]=4 2534 B12R1.50 O=C(CF)Cc1cccc(c1)Cl 1458a_100000749307_100015361967 [0,2,0,0,0,0|2,0,0]=4 2535 B12R1.50 O=C(CF)Cc1cccc(c1)F 1458a_100000211661_100015361967 [0,2,0,0,0,0|2,0,0]=4 2536 B12R1.50 O=C(CF)Cc1cccc(c1)I 1458a_100000238430_100015361967 [0,2,0,0,0,0|2,0,0]=4 2537 B12R1.50 O=C(CF)Cc1cccc(c1)O 1458a_100000745134_100015361967 [0,2,0,0,0,0|2,0,0]=4 2538 B12R1.50 O=C(CO)Cc1cc(ccn1)Br 1458a_100000210174_100010173614 [0,2,0,0,0,0|2,0,0]=4 2539 B12R1.50 O=C(CO)Cc1cc(ccn1)Cl 1458a_100000210174_100016988179 [0,2,0,0,0,0|2,0,0]=4 2540 B12R1.50 O=C(CO)Cc1cccc(c1)Br 1458a_100000210174_100000211773 [0,2,0,0,0,0|1,0,0]=3 2541 B12R1.50 O=C(CO)Cc1cccc(c1)Cl 1458a_100000210174_100000181238 [0,2,0,0,0,0|1,0,0]=3 2542 B12R1.50 O=C(CO)Cc1cccc(c1)F 1458a_100000210174_100000230114 [0,2,0,0,0,0|1,0,0]=3 2543 B12R1.50 O=C(CO)Cc1cccc(c1)I 1458a_100000210174_100011218688 [0,2,0,0,0,0|1,0,0]=3 2544 B12R1.50 O=C(CO)Cc1cccc(c1)O 1458a_100000210174_100011660834 [0,2,0,0,0,0|1,0,0]=3 2545 B12R1.50 O=C(CO)Cc1cccc(n1)Br 1458a_100000210174_100009889011 [0,2,0,0,0,0|2,0,0]=4 2546 B12R1.50 O=C(CO)Cc1cccc(n1)Cl 1458a_100000210174_100000086093 [0,2,0,0,0,0|2,0,0]=4 2547 B12R1.50 O=C(CO)Cc1cccc(n1)F 1458a_100000210174_100009819644 [0,2,0,0,0,0|2,0,0]=4 2548 B12R1.50 O=C(CO)Cc1ccnc(c1)Br 1458a_100000210174_100010243470 [0,2,0,0,0,0|2,0,0]=4 2549 B12R1.50 O=C(CO)Cc1ccnc(c1)Cl 1458a_100000210174_100000764220 [0,2,0,0,0,0|2,0,0]=4 2550 B12R1.50 O=C(CO)Cc1cncc(c1)Br 1458a_100000210174_100011740620 [0,2,0,0,0,0|2,0,0]=4 2551 B12R1.50 O=C(CO)Cc1cncc(c1)Cl 1458a_100000210174_100016992070 [0,2,0,0,0,0|2,0,0]=4 2552 B12R1.50 O=C(CO)Cc1cncc(c1)F 1458a_100000210174_100000725299 [0,2,0,0,0,0|2,0,0]=4 2553 B12R1.50 O=C(CO)Nc1cccc(c1)Br 22a_100000210019_100000210174 [0,2,0,0,0,0|2,0,0]=4 2554 B12R1.50 O=C(CO)Nc1cccc(c1)Br 527a_100000210019_100000210174 [0,2,0,0,0,0|2,0,0]=4 2555 B12R1.50 O=C(CO)Nc1cccc(c1)Cl 22a_100000185859_100000210174 [0,2,0,0,0,0|2,0,0]=4 2556 B12R1.50 O=C(CO)Nc1cccc(c1)F 22a_100000210047_100000210174 [0,2,0,0,0,0|2,0,0]=4 2557 B12R1.50 O=C(CO)Nc1cccc(c1)F 527a_100000210047_100000210174 [0,2,0,0,0,0|2,0,0]=4 2558 B12R1.50 O=C(CO)Nc1cccc(c1)I 22a_100000211102_100000210174 [0,2,0,0,0,0|2,0,0]=4 2559 B12R1.50 O=C(CO)Nc1cccc(c1)I 527a_100000211102_100000210174 [0,2,0,0,0,0|2,0,0]=4 2560 B12R1.50 O=C(CO)Nc1cccc(c1)O 22a_100000210217_100000210174 [0,2,0,0,0,0|2,0,0]=4 2561 B12R1.50 O=C(CO)Nc1cccc(c1)O 527a_100000210217_100000210174 [0,2,0,0,0,0|2,0,0]=4 2562 B12R1.226 CC(O)C=Cc1cccc(c1)Br 271570a_200011019289_100000691529 [0,2,0,0,0,0|1,0,1]=4 2563 B12R1.226 CC(O)C=Cc1cccc(c1)Cl 271570a_200011019289_100000699651 [0,2,0,0,0,0|1,0,1]=4 2564 B12R1.226 CC(O)C=Cc1cccc(c1)F 271570a_200011019289_100000685547 [0,2,0,0,0,0|1,0,1]=4 2565 B12R1.226 CC(O)C=Cc1cccc(c1)N 271570a_200011019289_100000210019 [0,2,0,0,0,0|1,0,1]=4 2566 B12R1.226 CC(O)C=Cc1cccc(c1)O 271570a_200011019289_100000211634 [0,2,0,0,0,0|1,0,1]=4 2567 B12R1.226 CC(O)C=Cc1cccc(c1)[S] 271570a_200011019289_114929384022 [0,2,0,0,0,0|1,0,1]=4 2568 B12R1.226 Cc1cccc(c1)C=CC(C)O 271570a_200011019289_100011215228 [0,2,0,0,0,0|1,0,1]=4 2569 B12R1.382 C=Cc1cccc(c1)CCCO 271570a_100011290941_100011709248 [0,2,0,0,0,0|1,0,1]=4 2570 B12R1.382 CNc1cccc(c1)CCCO 2230a_200000698965_200000210301 [0,2,0,0,0,0|1,0,1]=4 2571 B12R1.382 CNc1cccc(c1)CCCO 34a_200000698965_200000210301 [0,2,0,0,0,0|1,0,1]=4 2572 B12R1.382 CNc1cccc(c1)CCCO 7a_200000698965_200000210301 [0,2,0,0,0,0|1,0,1]=4 2573 B12R1.382 COc1cccc(c1)CCCO 34a_200011999501_200000210301 [0,2,0,0,0,0|1,0,1]=4 2574 B12R1.382 COc1cccc(c1)CCCO 7a_200011999501_200000210301 [0,2,0,0,0,0|1,0,1]=4 2575 B12R1.382 CSc1cccc(c1)CCCO 62a_100011709248_200000210301 [0,2,0,0,0,0|1,0,1]=4 2576 B12R1.382 CSc1cccc(c1)CCCO 62a_200000210301_100011709248 [0,2,0,0,0,0|1,0,1]=4 2577 B12R1.382 [13CH3]Nc1cccc(c1)CCCO 2230a_200000698965_200025704644 [0,2,0,0,0,0|1,0,1]=4 2578 B12R1.382 [13CH3]Nc1cccc(c1)CCCO 34a_200000698965_200025704644 [0,2,0,0,0,0|1,0,1]=4 2579 B12R1.382 [13CH3]Nc1cccc(c1)CCCO 7a_200000698965_200025704644 [0,2,0,0,0,0|1,0,1]=4 2580 B12R1.382 [13CH3]Oc1cccc(c1)CCCO 34a_200011999501_200025704644 [0,2,0,0,0,0|1,0,1]=4 2581 B12R1.382 [13CH3]Oc1cccc(c1)CCCO 7a_200011999501_200025704644 [0,2,0,0,0,0|1,0,1]=4 2582 B12R1.382 [13CH3]Sc1cccc(c1)CCCO 62a_100011709248_200025704644 [0,2,0,0,0,0|1,0,1]=4 2583 B12R1.382 [13CH3]Sc1cccc(c1)CCCO 62a_200025704644_100011709248 [0,2,0,0,0,0|1,0,1]=4 2584 B12R1.8 C/C=C/CNCc1ccccc1 34a_100015324214_100102629194 [0,2,0,0,0,0|2,0,0]=4 2585 B12R1.8 C/C=C/COCc1ccccc1 34a_100000210790_100102629194 [0,2,0,0,0,0|2,0,0]=4 2586 B12R1.8 C/C=C/COCc1ccccc1 34a_100016270725_100015291786 [0,2,0,0,0,0|2,0,0]=4 2587 B12R1.8 C/C=C/COCc1ccccc1 7a_100000210790_100102629194 [0,2,0,0,0,0|2,0,0]=4 2588 B12R1.8 C/C=C/CSCc1ccccc1 62a_100000211182_100102629194 [0,2,0,0,0,0|2,0,0]=4 2589 B12R1.8 C/C=C/CSCc1ccccc1 62a_100102629194_100015291786 [0,2,0,0,0,0|2,0,0]=4 2590 B12R1.8 CC/C=C\CNc1ccccc1 34a_100000106764_100103147603 [0,2,0,0,0,0|2,0,0]=4 2591 B12R1.8 CC/C=C\COc1ccccc1 34a_100000210340_100103147603 [0,2,0,0,0,0|2,0,0]=4 2592 B12R1.8 CC/C=C\COc1ccccc1 7a_100000210340_100103147603 [0,2,0,0,0,0|2,0,0]=4 2593 B12R1.8 CC/C=C\CSc1ccccc1 62a_100000719477_100103147603 [0,2,0,0,0,0|2,0,0]=4 2594 B12R1.8 CC/C=C\CSc1ccccc1 62a_100103147603_100000041952 [0,2,0,0,0,0|2,0,0]=4 2595 B12R1.8 CC=CCNCc1ccccc1 2230a_100015324214_100000070051 [0,2,0,0,0,0|2,0,0]=4 2596 B12R1.8 CC=CCNCc1ccccc1 34a_100015324214_100000070051 [0,2,0,0,0,0|2,0,0]=4 2597 B12R1.8 CC=CCOCc1ccccc1 34a_100000210790_100000070051 [0,2,0,0,0,0|2,0,0]=4 2598 B12R1.8 CC=CCOCc1ccccc1 7a_100000210790_100000070051 [0,2,0,0,0,0|2,0,0]=4 2599 B12R1.8 CC=CCSCc1ccccc1 62a_100000070051_100015291786 [0,2,0,0,0,0|2,0,0]=4 2600 B12R1.8 CC=CCSCc1ccccc1 62a_100000211182_100000070051 [0,2,0,0,0,0|2,0,0]=4 2601 B12R1.8 CC=NNCCc1ccccc1 4a_100000740470_200000210099 [0,2,0,0,0,0|1,0,1]=4 2602 B12R1.8 CCC=NNCc1ccccc1 4a_100000007032_100000210100 [0,2,0,0,0,0|2,0,0]=4 2603 B12R1.8 CCNN=CCc1ccccc1 4a_100000756455_100000209964 [0,2,0,0,0,0|1,0,0]=3 2604 B12R1.8 CCOC/C=C/c1ccccc1 34a_100000210256_100000210202 [0,2,0,0,0,0|1,0,1]=4 2605 B12R1.8 CCOC/C=C/c1ccccc1 34a_100121572206_100016265936 [0,2,0,0,0,0|1,0,1]=4 2606 B12R1.8 CCOCCCc1ccccc1 34a_100000210828_100000210202 [0,2,0,0,0,0|1,0,1]=4 2607 B12R1.8 CCOCCCc1ccccc1 34a_100121572206_100000211621 [0,2,0,0,0,0|1,0,1]=4 2608 B12R1.8 CCOCCCc1ccccc1 7a_100000210828_100000210202 [0,2,0,0,0,0|1,0,1]=4 2609 B12R1.8 CCOCOCc1ccccc1 34a_100121572206_100000763385 [0,2,0,0,0,0|2,0,0]=4 2610 B12R1.8 CCOCSCc1ccccc1 34a_100121572206_200011217039 [0,2,0,0,0,0|2,0,0]=4 2611 B12R1.8 CCOCSCc1ccccc1 62a_100000211182_100000739092 [0,2,0,0,0,0|2,0,0]=4 2612 B12R1.8 CCOCSCc1ccccc1 62a_100000739092_100015291786 [0,2,0,0,0,0|2,0,0]=4 2613 B12R1.8 COCCCCc1ccccc1 34a_100000703073_200000210301 [0,2,0,0,0,0|1,0,1]=4 2614 B12R1.8 COCCCCc1ccccc1 34a_100138415774_100000701786 [0,2,0,0,0,0|1,0,1]=4 2615 B12R1.8 COCCCCc1ccccc1 7a_100000703073_200000210301 [0,2,0,0,0,0|1,0,1]=4 2616 B12R1.8 COCCCNc1ccccc1 34a_100000106764_100000740836 [0,2,0,0,0,0|1,0,1]=4 2617 B12R1.8 COCCCNc1ccccc1 34a_100000212590_200000210301 [0,2,0,0,0,0|1,0,1]=4 2618 B12R1.8 COCCCOc1ccccc1 34a_100000210340_100000740836 [0,2,0,0,0,0|1,0,1]=4 2619 B12R1.8 COCCCOc1ccccc1 34a_100011215863_200000210301 [0,2,0,0,0,0|1,0,1]=4 2620 B12R1.8 COCCCOc1ccccc1 34a_100138415774_100000199009 [0,2,0,0,0,0|1,0,1]=4 2621 B12R1.8 COCCCOc1ccccc1 7a_100000210340_100000740836 [0,2,0,0,0,0|1,0,1]=4 2622 B12R1.8 COCCCOc1ccccc1 7a_100011215863_200000210301 [0,2,0,0,0,0|1,0,1]=4 2623 B12R1.8 COCCCSc1ccccc1 34a_100138415774_200011203293 [0,2,0,0,0,0|1,0,1]=4 2624 B12R1.8 COCCCSc1ccccc1 62a_100000709357_100000041952 [0,2,0,0,0,0|1,0,1]=4 2625 B12R1.8 COCCCSc1ccccc1 62a_100000719477_100000709357 [0,2,0,0,0,0|1,0,1]=4 2626 B12R1.8 COCCNCc1ccccc1 207a_100000209980_100015611070 [0,2,0,0,0,0|1,0,1]=4 2627 B12R1.8 COCCNCc1ccccc1 2230a_100000209980_100015291786 [0,2,0,0,0,0|1,0,1]=4 2628 B12R1.8 COCCNCc1ccccc1 2230a_100015324214_100011201679 [0,2,0,0,0,0|1,0,1]=4 2629 B12R1.8 COCCNCc1ccccc1 270004a_100000209980_100015611070 [0,2,0,0,0,0|1,0,1]=4 2630 B12R1.8 COCCNCc1ccccc1 34a_100000180844_200000210301 [0,2,0,0,0,0|1,0,1]=4 2631 B12R1.8 COCCNCc1ccccc1 34a_100015324214_100011201679 [0,2,0,0,0,0|1,0,1]=4 2632 B12R1.8 COCCOCc1ccccc1 34a_100000210237_100015291786 [0,2,0,0,0,0|1,0,1]=4 2633 B12R1.8 COCCOCc1ccccc1 34a_100000210790_100011201679 [0,2,0,0,0,0|1,0,1]=4 2634 B12R1.8 COCCOCc1ccccc1 34a_100000759325_200000210301 [0,2,0,0,0,0|1,0,1]=4 2635 B12R1.8 COCCOCc1ccccc1 34a_100138415774_100000234347 [0,2,0,0,0,0|1,0,1]=4 2636 B12R1.8 COCCOCc1ccccc1 7a_100000210790_100000233755 [0,2,0,0,0,0|1,0,1]=4 2637 B12R1.8 COCCOCc1ccccc1 7a_100000759325_200000210301 [0,2,0,0,0,0|1,0,1]=4 2638 B12R1.8 COCCSCc1ccccc1 34a_100011205989_200000210301 [0,2,0,0,0,0|1,0,1]=4 2639 B12R1.8 COCCSCc1ccccc1 34a_100138415774_200011297719 [0,2,0,0,0,0|1,0,1]=4 2640 B12R1.8 COCCSCc1ccccc1 62a_100000211182_100000233755 [0,2,0,0,0,0|1,0,1]=4 2641 B12R1.8 COCCSCc1ccccc1 62a_100000233755_100015291786 [0,2,0,0,0,0|1,0,1]=4 2642 B12R1.8 COCCSCc1ccccc1 7a_100011205989_200000210301 [0,2,0,0,0,0|1,0,1]=4 2643 B12R1.8 COCNCCc1ccccc1 2230a_100000106460_100000766300 [0,2,0,0,0,0|0,0,2]=4 2644 B12R1.8 COCSCCc1ccccc1 62a_100000765856_100000766300 [0,2,0,0,0,0|1,0,1]=4 2645 B12R1.8 COCSCCc1ccccc1 62a_100000766300_100011218657 [0,2,0,0,0,0|1,0,1]=4 2646 B12R1.8 COCSCSc1ccccc1 62a_100000766300_100011218342 [0,2,0,0,0,0|2,0,0]=4 2647 B12R1.8 COCSCSc1ccccc1 62a_100011218342_100000766300 [0,2,0,0,0,0|2,0,0]=4 2648 B12R1.8 FCOC/C=C/c1ccccc1 34a_100000210256_100015361967 [0,2,0,0,0,0|1,0,1]=4 2649 B12R1.8 FCOCCCc1ccccc1 34a_100000210828_100015361967 [0,2,0,0,0,0|1,0,1]=4 2650 B12R1.8 FCOCCCc1ccccc1 7a_100000210828_100015361967 [0,2,0,0,0,0|1,0,1]=4 2651 B12R1.8 NOCCOCc1ccccc1 34a_100000700252_100015291786 [0,2,0,0,0,0|1,0,1]=4 2652 B12R1.8 OCC#CCNc1ccccc1 34a_100000106764_200000047223 [0,2,0,0,0,0|1,0,1]=4 2653 B12R1.8 OCC#CCOc1ccccc1 34a_100000210340_200000047223 [0,2,0,0,0,0|1,0,1]=4 2654 B12R1.8 OCC#CCOc1ccccc1 7a_100000210340_200000047223 [0,2,0,0,0,0|1,0,1]=4 2655 B12R1.8 OCC#CCSc1ccccc1 62a_100000719477_200000047223 [0,2,0,0,0,0|1,0,1]=4 2656 B12R1.8 OCC#CCSc1ccccc1 62a_200000047223_100000041952 [0,2,0,0,0,0|1,0,1]=4 2657 B12R1.8 OCCCCNc1ccccc1 34a_100000106764_100011216708 [0,2,0,0,0,0|1,0,1]=4 2658 B12R1.8 OCCCCOc1ccccc1 34a_100000210340_100011216708 [0,2,0,0,0,0|1,0,1]=4 2659 B12R1.8 OCCCCOc1ccccc1 7a_100000210340_100000210776 [0,2,0,0,0,0|1,0,1]=4 2660 B12R1.8 OCCCCSc1ccccc1 62a_100000210776_100000041952 [0,2,0,0,0,0|1,0,1]=4 2661 B12R1.8 OCCCCSc1ccccc1 62a_100000719477_100000210776 [0,2,0,0,0,0|1,0,1]=4 2662 B12R1.8 OCCCNCc1ccccc1 207a_100000182051_100015611070 [0,2,0,0,0,0|1,0,1]=4 2663 B12R1.8 OCCCNCc1ccccc1 2230a_100015324214_100000230001 [0,2,0,0,0,0|1,0,1]=4 2664 B12R1.8 OCCCNCc1ccccc1 270004a_100000182051_100015611070 [0,2,0,0,0,0|1,0,1]=4 2665 B12R1.8 OCCCNCc1ccccc1 34a_100015324214_100000230001 [0,2,0,0,0,0|1,0,1]=4 2666 B12R1.8 OCCCOCc1ccccc1 34a_100000210790_100000230001 [0,2,0,0,0,0|1,0,1]=4 2667 B12R1.8 OCCCOCc1ccccc1 7a_100000210790_100011215043 [0,2,0,0,0,0|1,0,1]=4 2668 B12R1.8 OCCCSCc1ccccc1 62a_100000211182_100011215043 [0,2,0,0,0,0|1,0,1]=4 2669 B12R1.8 OCCCSCc1ccccc1 62a_100011215043_100015291786 [0,2,0,0,0,0|1,0,1]=4 2670 B12R1.8 OCCNCCc1ccccc1 2230a_100000106460_100000211926 [0,2,0,0,0,0|0,0,2]=4 2671 B12R1.8 OCCNCCc1ccccc1 2230a_100016997473_100000765856 [0,2,0,0,0,0|0,0,2]=4 2672 B12R1.8 OCCNCCc1ccccc1 34a_100000106460_100000211926 [0,2,0,0,0,0|0,0,2]=4 2673 B12R1.8 OCCNCCc1ccccc1 34a_100016990907_100000765856 [0,2,0,0,0,0|0,0,2]=4 2674 B12R1.8 OCCNCSc1ccccc1 2230a_100016997473_100011218342 [0,2,0,0,0,0|1,0,1]=4 2675 B12R1.8 OCCOCCc1ccccc1 34a_100000210268_100000211926 [0,2,0,0,0,0|1,0,1]=4 2676 B12R1.8 OCCOCCc1ccccc1 7a_100000210268_100000211926 [0,2,0,0,0,0|1,0,1]=4 2677 B12R1.8 OCCSCCc1ccccc1 62a_100000211926_100011218657 [0,2,0,0,0,0|1,0,1]=4 2678 B12R1.8 OCCSCCc1ccccc1 62a_100000765856_100000211926 [0,2,0,0,0,0|1,0,1]=4 2679 B12R1.8 OCCSCSc1ccccc1 62a_100000211926_100011218342 [0,2,0,0,0,0|1,0,1]=4 2680 B12R1.8 OCCSCSc1ccccc1 62a_100011218342_100000211926 [0,2,0,0,0,0|1,0,1]=4 2681 B12R1.8 [13CH3]OCCCCc1ccccc1 34a_100000703073_200025704644 [0,2,0,0,0,0|1,0,1]=4 2682 B12R1.8 [13CH3]OCCCCc1ccccc1 7a_100000703073_200025704644 [0,2,0,0,0,0|1,0,1]=4 2683 B12R1.8 [13CH3]OCCCNc1ccccc1 34a_100000212590_200025704644 [0,2,0,0,0,0|1,0,1]=4 2684 B12R1.8 [13CH3]OCCCOc1ccccc1 34a_100011215863_200025704644 [0,2,0,0,0,0|1,0,1]=4 2685 B12R1.8 [13CH3]OCCCOc1ccccc1 7a_100011215863_200025704644 [0,2,0,0,0,0|1,0,1]=4 2686 B12R1.8 [13CH3]OCCNCc1ccccc1 34a_100000180844_200025704644 [0,2,0,0,0,0|1,0,1]=4 2687 B12R1.8 [13CH3]OCCOCc1ccccc1 34a_100000759325_200025704644 [0,2,0,0,0,0|1,0,1]=4 2688 B12R1.8 [13CH3]OCCOCc1ccccc1 7a_100000759325_200025704644 [0,2,0,0,0,0|1,0,1]=4 2689 B12R1.8 [13CH3]OCCSCc1ccccc1 34a_100011205989_200025704644 [0,2,0,0,0,0|1,0,1]=4 2690 B12R1.8 [13CH3]OCCSCc1ccccc1 7a_100011205989_200025704644 [0,2,0,0,0,0|1,0,1]=4 2691 B12R1.27 C#CC(=O)CCc1ccccc1 1458a_100000211873_100000765856 [0,2,0,0,0,0|2,0,0]=4 2692 B12R1.27 C=C(C#N)CNc1ccccc1 34a_100000106764_100000694840 [0,2,0,0,0,0|2,0,0]=4 2693 B12R1.27 C=C(C#N)COc1ccccc1 34a_100000210340_100000694840 [0,2,0,0,0,0|2,0,0]=4 2694 B12R1.27 C=C(C#N)CSc1ccccc1 62a_100000719477_100000694840 [0,2,0,0,0,0|2,0,0]=4 2695 B12R1.27 C=CC(=O)CCc1ccccc1 1458a_100000185746_100000765856 [0,2,0,0,0,0|2,0,0]=4 2696 B12R1.27 C=CC(=O)NCc1ccccc1 1626a_100015324214_100000185746 [0,2,0,0,0,0|2,0,0]=4 2697 B12R1.27 C=CC(=O)NCc1ccccc1 240690a_100015324214_200121576911 [0,2,0,0,0,0|2,0,0]=4 2698 B12R1.27 CC(=NNc1ccccc1)CO 4a_100015195140_100000211253 [0,2,0,0,0,0|2,0,0]=4 2699 B12R1.27 CC(CO)NCc1ccccc1 2230a_100015324214_100012180447 [0,2,0,0,0,0|1,0,1]=4 2700 B12R1.27 CC(CO)NCc1ccccc1 34a_100015324214_100012180447 [0,2,0,0,0,0|1,0,1]=4 2701 B12R1.27 CC(CO)OCc1ccccc1 34a_100000210790_100012180447 [0,2,0,0,0,0|1,0,1]=4 2702 B12R1.27 CC(CO)OCc1ccccc1 7a_100000210790_100012180447 [0,2,0,0,0,0|1,0,1]=4 2703 B12R1.27 CC(CO)SCc1ccccc1 62a_100012180447_100015291786 [0,2,0,0,0,0|1,0,1]=4 2704 B12R1.27 CCC(=O)CCc1ccccc1 1458a_100000185753_100000210202 [0,2,0,0,0,0|2,0,0]=4 2705 B12R1.27 CCC(=O)CCc1ccccc1 1458a_100000210414_100000765856 [0,2,0,0,0,0|2,0,0]=4 2706 B12R1.27 CCC(=O)COc1ccccc1 1458a_100000186222_100000210202 [0,2,0,0,0,0|2,0,0]=4 2707 B12R1.27 CCC(=O)COc1ccccc1 7a_100000210340_100000747405 [0,2,0,0,0,0|2,0,0]=4 2708 B12R1.27 CCC(=O)CSc1ccccc1 1458a_100000211596_100000210202 [0,2,0,0,0,0|2,0,0]=4 2709 B12R1.27 CCC(=O)CSc1ccccc1 62a_100000719477_100000747405 [0,2,0,0,0,0|2,0,0]=4 2710 B12R1.27 CCC(=O)CSc1ccccc1 62a_100000747405_100000041952 [0,2,0,0,0,0|2,0,0]=4 2711 B12R1.27 CCC(=O)NCc1ccccc1 11a_100015324214_100000210414 [0,2,0,0,0,0|2,0,0]=4 2712 B12R1.27 CCC(=O)NCc1ccccc1 1626a_100015324214_100000210414 [0,2,0,0,0,0|2,0,0]=4 2713 B12R1.27 CCC(=O)NCc1ccccc1 240690a_100015324214_100000210414 [0,2,0,0,0,0|2,0,0]=4 2714 B12R1.27 CCC(=O)NCc1ccccc1 527a_100015324214_100000210414 [0,2,0,0,0,0|2,0,0]=4 2715 B12R1.27 CNC(=O)CCc1ccccc1 11a_106832991635_100000185753 [0,2,0,0,0,0|1,0,1]=4 2716 B12R1.27 CNC(=O)CCc1ccccc1 1626a_100102657272_100000185753 [0,2,0,0,0,0|1,0,1]=4 2717 B12R1.27 CNC(=O)CCc1ccccc1 240690a_100102657272_100000185753 [0,2,0,0,0,0|1,0,1]=4 2718 B12R1.27 CNC(=O)CCc1ccccc1 527a_100102657272_100000185753 [0,2,0,0,0,0|1,0,1]=4 2719 B12R1.27 CNC(=O)CNc1ccccc1 34a_100000106764_100000183359 [0,2,0,0,0,0|1,0,1]=4 2720 B12R1.27 CNC(=O)COc1ccccc1 11a_106832991635_100000186222 [0,2,0,0,0,0|1,0,1]=4 2721 B12R1.27 CNC(=O)COc1ccccc1 1626a_100102657272_100000186222 [0,2,0,0,0,0|1,0,1]=4 2722 B12R1.27 CNC(=O)COc1ccccc1 240690a_100102657272_100000186222 [0,2,0,0,0,0|1,0,1]=4 2723 B12R1.27 CNC(=O)COc1ccccc1 34a_100000210340_100000183359 [0,2,0,0,0,0|1,0,1]=4 2724 B12R1.27 CNC(=O)COc1ccccc1 527a_100102657272_100000186222 [0,2,0,0,0,0|1,0,1]=4 2725 B12R1.27 CNC(=O)COc1ccccc1 7a_100000210340_100000183359 [0,2,0,0,0,0|1,0,1]=4 2726 B12R1.27 CNC(=O)CSc1ccccc1 11a_106832991635_100000211596 [0,2,0,0,0,0|1,0,1]=4 2727 B12R1.27 CNC(=O)CSc1ccccc1 1626a_100102657272_100000211596 [0,2,0,0,0,0|1,0,1]=4 2728 B12R1.27 CNC(=O)CSc1ccccc1 240690a_100102657272_100000211596 [0,2,0,0,0,0|1,0,1]=4 2729 B12R1.27 CNC(=O)CSc1ccccc1 527a_100102657272_100000211596 [0,2,0,0,0,0|1,0,1]=4 2730 B12R1.27 CNC(=O)CSc1ccccc1 62a_100000183359_100000041952 [0,2,0,0,0,0|1,0,1]=4 2731 B12R1.27 CNC(=O)CSc1ccccc1 62a_100000719477_100000183359 [0,2,0,0,0,0|1,0,1]=4 2732 B12R1.27 CNC(=O)NCc1ccccc1 2708a_100015324214_106832991635 [0,2,0,0,0,0|1,0,1]=4 2733 B12R1.27 CNC(=O)NCc1ccccc1 2708a_100102657272_100015324214 [0,2,0,0,0,0|1,0,1]=4 2734 B12R1.27 CNC(=O)NCc1ccccc1 273464a_100015324214_100102657272 [0,2,0,0,0,0|1,0,1]=4 2735 B12R1.27 CNC(=O)NCc1ccccc1 273464a_100102657272_100015324214 [0,2,0,0,0,0|1,0,1]=4 2736 B12R1.27 CNC(=O)NCc1ccccc1 512a_100015324214_100102657272 [0,2,0,0,0,0|1,0,1]=4 2737 B12R1.27 CNC(=O)NCc1ccccc1 512a_106832991638_100015324214 [0,2,0,0,0,0|1,0,1]=4 2738 B12R1.27 COC(=O)CNc1ccccc1 34a_100000106764_100000747449 [0,2,0,0,0,0|2,0,0]=4 2739 B12R1.27 COC(=O)COc1ccccc1 34a_100000210340_100000747449 [0,2,0,0,0,0|2,0,0]=4 2740 B12R1.27 COC(=O)COc1ccccc1 7a_100000210340_100000747449 [0,2,0,0,0,0|2,0,0]=4 2741 B12R1.27 COC(=O)CSc1ccccc1 62a_100000719477_100000747449 [0,2,0,0,0,0|2,0,0]=4 2742 B12R1.27 COC(=O)CSc1ccccc1 62a_100000747449_100000041952 [0,2,0,0,0,0|2,0,0]=4 2743 B12R1.27 COC(C)SCc1ccccc1 62a_100000211182_100009879195 [0,2,0,0,0,0|2,0,0]=4 2744 B12R1.27 COC(C)SCc1ccccc1 62a_100009879195_100015291786 [0,2,0,0,0,0|2,0,0]=4 2745 B12R1.27 CO[C@@H](C)CCc1ccccc1 34a_100009815974_200000210301 [0,2,0,0,0,0|1,0,1]=4 2746 B12R1.27 CO[C@@H](C)CCc1ccccc1 7a_100009815974_200000210301 [0,2,0,0,0,0|1,0,1]=4 2747 B12R1.27 C[C@@H](CCc1ccccc1)O[13CH3] 34a_100009815974_200025704644 [0,2,0,0,0,0|1,0,1]=4 2748 B12R1.27 C[C@@H](CCc1ccccc1)O[13CH3] 7a_100009815974_200025704644 [0,2,0,0,0,0|1,0,1]=4 2749 B12R1.27 C[C@@H](CO)CNc1ccccc1 34a_100000106764_100000059175 [0,2,0,0,0,0|1,0,1]=4 2750 B12R1.27 C[C@@H](CO)COc1ccccc1 34a_100000210340_100000059175 [0,2,0,0,0,0|1,0,1]=4 2751 B12R1.27 C[C@@H](CO)COc1ccccc1 7a_100000210340_100000059175 [0,2,0,0,0,0|1,0,1]=4 2752 B12R1.27 C[C@@H](CO)CSc1ccccc1 62a_100000059175_100000041952 [0,2,0,0,0,0|1,0,1]=4 2753 B12R1.27 C[C@@H](CO)CSc1ccccc1 62a_100000719477_100000059175 [0,2,0,0,0,0|1,0,1]=4 2754 B12R1.27 C[C@H](CO)NCc1ccccc1 207a_100000737577_100015611070 [0,2,0,0,0,0|1,0,1]=4 2755 B12R1.27 C[C@H](CO)NCc1ccccc1 2230a_100000737577_100015291786 [0,2,0,0,0,0|1,0,1]=4 2756 B12R1.27 C[C@H](CO)NCc1ccccc1 270004a_100000737577_100015611070 [0,2,0,0,0,0|1,0,1]=4 2757 B12R1.27 C[C@H](CO)SCc1ccccc1 62a_100000211182_100016084084 [0,2,0,0,0,0|1,0,1]=4 2758 B12R1.27 C[C@H](CO)SCc1ccccc1 62a_100016084084_100015291786 [0,2,0,0,0,0|1,0,1]=4 2759 B12R1.27 O=C(CF)CCc1ccccc1 1458a_100000185753_100015361967 [0,2,0,0,0,0|2,0,0]=4 2760 B12R1.27 O=C(CF)COc1ccccc1 1458a_100000186222_100015361967 [0,2,0,0,0,0|2,0,0]=4 2761 B12R1.27 O=C(CF)CSc1ccccc1 1458a_100000211596_100015361967 [0,2,0,0,0,0|2,0,0]=4 2762 B12R1.27 O=C(CO)CCc1ccccc1 1458a_100000210174_100000765856 [0,2,0,0,0,0|1,0,0]=3 2763 B12R1.27 O=C(CO)CCc1ccccn1 1458a_100000210174_100015183660 [0,2,0,0,0,0|2,0,0]=4 2764 B12R1.27 O=C(CO)CCc1cccnc1 1458a_100000210174_200011713674 [0,2,0,0,0,0|2,0,0]=4 2765 B12R1.27 O=C(CO)CCc1ccncc1 1458a_100000210174_100000723409 [0,2,0,0,0,0|2,0,0]=4 2766 B12R1.27 O=C(CO)NCc1ccccc1 240690a_100015324214_100000210174 [0,2,0,0,0,0|1,0,0]=3 2767 B12R1.27 O=C(CO)NCc1ccccc1 527a_100015324214_100000210174 [0,2,0,0,0,0|1,0,0]=3 2768 B12R1.27 O=C(CO)NCc1ccccn1 240690a_100000210449_100000210174 [0,2,0,0,0,0|2,0,0]=4 2769 B12R1.27 O=C(CO)NCc1ccccn1 527a_100000210449_100000210174 [0,2,0,0,0,0|2,0,0]=4 2770 B12R1.27 O=C(CO)NCc1cccnc1 240690a_100000210453_100000210174 [0,2,0,0,0,0|2,0,0]=4 2771 B12R1.27 O=C(CO)NCc1cccnc1 527a_100000210453_100000210174 [0,2,0,0,0,0|2,0,0]=4 2772 B12R1.27 O=C(CO)NCc1ccncc1 240690a_100000210450_100000210174 [0,2,0,0,0,0|2,0,0]=4 2773 B12R1.27 O=C(CO)NCc1ccncc1 527a_100000210450_100000210174 [0,2,0,0,0,0|2,0,0]=4 2774 B12R1.27 O=C(CO)NNc1ccccc1 22a_100015195140_100000210174 [0,2,0,0,0,0|2,0,0]=4 2775 B12R1.27 OCC(O)CNc1ccccc1 34a_100000106764_100011219619 [0,2,0,0,0,0|1,0,1]=4 2776 B12R1.27 OCC(O)COc1ccccc1 34a_100000210340_100011219619 [0,2,0,0,0,0|1,0,1]=4 2777 B12R1.27 OCC(O)COc1ccccc1 7a_100000210340_100011219619 [0,2,0,0,0,0|1,0,1]=4 2778 B12R1.27 OCC(O)CSc1ccccc1 62a_100000719477_100011219619 [0,2,0,0,0,0|1,0,1]=4 2779 B12R1.27 OCC(O)CSc1ccccc1 62a_100011219619_100000041952 [0,2,0,0,0,0|1,0,1]=4 2780 B12R1.27 OC[C@H](O)CNc1ccccc1 34a_100000106764_100009815848 [0,2,0,0,0,0|1,0,1]=4 2781 B12R1.27 OC[C@H](O)COc1ccccc1 34a_100000210340_100009815848 [0,2,0,0,0,0|1,0,1]=4 2782 B12R1.27 OC[C@H](O)COc1ccccc1 7a_100000210340_100009815848 [0,2,0,0,0,0|1,0,1]=4 2783 B12R1.27 OC[C@H](O)CSc1ccccc1 62a_100000719477_100009815848 [0,2,0,0,0,0|1,0,1]=4 2784 B12R1.27 OC[C@H](O)CSc1ccccc1 62a_100009815848_100000041952 [0,2,0,0,0,0|1,0,1]=4 2785 B12R1.32 C#CCC(=O)Cc1ccccc1 1458a_100011220946_100015291786 [0,2,0,0,0,0|2,0,0]=4 2786 B12R1.32 C/C(=C\c1ccccc1)/CO[13CH3] 34a_200025717232_200025704644 [0,2,0,0,0,0|1,0,1]=4 2787 B12R1.32 C/C(=C\c1ccccc1)/CO[13CH3] 7a_200025717232_200025704644 [0,2,0,0,0,0|1,0,1]=4 2788 B12R1.32 C=CCC(=O)Cc1ccccc1 1458a_100000210193_100015291786 [0,2,0,0,0,0|2,0,0]=4 2789 B12R1.32 CC#CC(=O)Cc1ccccc1 1458a_100000763181_100015291786 [0,2,0,0,0,0|2,0,0]=4 2790 B12R1.32 CC(CCO)Nc1ccccc1 34a_100000106764_100009893172 [0,2,0,0,0,0|1,0,1]=4 2791 B12R1.32 CC(CCO)Oc1ccccc1 34a_100000210340_100009893172 [0,2,0,0,0,0|1,0,1]=4 2792 B12R1.32 CC(CCO)Oc1ccccc1 7a_100000210340_100009893172 [0,2,0,0,0,0|1,0,1]=4 2793 B12R1.32 CC(CCO)Sc1ccccc1 62a_100000719477_100009893172 [0,2,0,0,0,0|1,0,1]=4 2794 B12R1.32 CC(CCO)Sc1ccccc1 62a_100009893172_100000041952 [0,2,0,0,0,0|1,0,1]=4 2795 B12R1.32 CC(CO[13CH3])Cc1ccccc1 34a_100012125295_200025704644 [0,2,0,0,0,0|1,0,1]=4 2796 B12R1.32 CC(CO[13CH3])Cc1ccccc1 7a_100012125295_200025704644 [0,2,0,0,0,0|1,0,1]=4 2797 B12R1.32 CC=CC(=O)Cc1ccccc1 1458a_100000210699_100015291786 [0,2,0,0,0,0|2,0,0]=4 2798 B12R1.32 CCCC(=O)Cc1ccccc1 1458a_100000211992_100015291786 [0,2,0,0,0,0|2,0,0]=4 2799 B12R1.32 CN(CCO)Cc1ccccc1 2230a_100000180844_200000210301 [0,2,0,0,0,0|1,0,1]=4 2800 B12R1.32 CN(CCO)Cc1ccccc1 2230a_100000186898_100000211926 [0,2,0,0,0,0|1,0,1]=4 2801 B12R1.32 CN(CCO)Cc1ccccc1 2230a_100000210263_100015291786 [0,2,0,0,0,0|1,0,1]=4 2802 B12R1.32 CN(CCO)Cc1ccccc1 269982a_100000180844_200000210301 [0,2,0,0,0,0|1,0,1]=4 2803 B12R1.32 CN(CCO)Cc1ccccc1 269982a_100000186898_100000211926 [0,2,0,0,0,0|1,0,1]=4 2804 B12R1.32 CN(CCO)Cc1ccccc1 269982a_100000210263_100000211182 [0,2,0,0,0,0|1,0,1]=4 2805 B12R1.32 CN(CCO)Cc1ccccc1 270004a_100000210263_100015611070 [0,2,0,0,0,0|1,0,1]=4 2806 B12R1.32 CNCC(=O)Cc1ccccc1 2230a_106832991635_100000233483 [0,2,0,0,0,0|1,0,1]=4 2807 B12R1.32 CNCC(=O)Cc1ccccc1 7a_106832991635_100000233483 [0,2,0,0,0,0|1,0,1]=4 2808 B12R1.32 COC/C(=C/c1ccccc1)/C 34a_200025717232_200000210301 [0,2,0,0,0,0|1,0,1]=4 2809 B12R1.32 COC/C(=C/c1ccccc1)/C 7a_200025717232_200000210301 [0,2,0,0,0,0|1,0,1]=4 2810 B12R1.32 COCC(=O)Cc1ccccc1 1458a_100000210968_100015291786 [0,2,0,0,0,0|1,0,0]=3 2811 B12R1.32 COCC(=O)Cc1ccccn1 1458a_100000210968_100000721315 [0,2,0,0,0,0|2,0,0]=4 2812 B12R1.32 COCC(=O)Cc1cccnc1 1458a_100000210968_100000733263 [0,2,0,0,0,0|2,0,0]=4 2813 B12R1.32 COCC(=O)Cc1ccncc1 1458a_100000210968_100000705612 [0,2,0,0,0,0|2,0,0]=4 2814 B12R1.32 COCC(=O)Nc1ccccc1 11a_100000106764_100000210968 [0,2,0,0,0,0|2,0,0]=4 2815 B12R1.32 COCC(=O)Nc1ccccc1 1626a_100000106764_100000210968 [0,2,0,0,0,0|2,0,0]=4 2816 B12R1.32 COCC(=O)Nc1ccccc1 22a_100000106764_100000210968 [0,2,0,0,0,0|2,0,0]=4 2817 B12R1.32 COCC(=O)Nc1ccccc1 34a_100000246334_200000210301 [0,2,0,0,0,0|2,0,0]=4 2818 B12R1.32 COCC(=O)Nc1ccccc1 34a_100138415774_100000182850 [0,2,0,0,0,0|2,0,0]=4 2819 B12R1.32 COCC(=O)Nc1ccccc1 527a_100000106764_100000210968 [0,2,0,0,0,0|2,0,0]=4 2820 B12R1.32 COCC(=O)Oc1ccccc1 34a_100138415774_100009813826 [0,2,0,0,0,0|2,0,0]=4 2821 B12R1.32 COCC(C)Cc1ccccc1 34a_100012125295_200000210301 [0,2,0,0,0,0|1,0,1]=4 2822 B12R1.32 COCC(C)Cc1ccccc1 7a_100012125295_200000210301 [0,2,0,0,0,0|1,0,1]=4 2823 B12R1.32 COCC(N)Cc1ccccc1 34a_100000739027_200000210301 [0,2,0,0,0,0|1,0,1]=4 2824 B12R1.32 COCN(C)Cc1ccccc1 2230a_100000186898_100000766300 [0,2,0,0,0,0|2,0,0]=4 2825 B12R1.32 COCN(C)Cc1ccccc1 269982a_100000186898_100000766300 [0,2,0,0,0,0|2,0,0]=4 2826 B12R1.32 COC[C@@H](O)Cc1ccccc1 34a_100138415774_100000729385 [0,2,0,0,0,0|1,0,1]=4 2827 B12R1.32 CSCC(=O)Cc1ccccc1 1458a_100000184570_100015291786 [0,2,0,0,0,0|1,1,0]=4 2828 B12R1.32 CSCC(=O)Cc1ccccc1 62a_100000233483_200000210301 [0,2,0,0,0,0|1,1,0]=4 2829 B12R1.32 CSCC(=O)Cc1ccccc1 62a_200000210301_100000233483 [0,2,0,0,0,0|1,1,0]=4 2830 B12R1.32 N#CCC(=O)Cc1ccccc1 1458a_100051588842_100015291786 [0,2,0,0,0,0|2,0,0]=4 2831 B12R1.32 O=C(C=CBr)Cc1ccccc1 1458a_100016273825_100015291786 [0,2,0,0,0,0|2,0,0]=4 2832 B12R1.32 O=C(C=CCl)Cc1ccccc1 1458a_200016279998_100015291786 [0,2,0,0,0,0|2,0,0]=4 2833 B12R1.32 O=C(C=CI)Cc1ccccc1 1458a_100016256311_100015291786 [0,2,0,0,0,0|2,0,0]=4 2834 B12R1.32 O=C(CCO)C[n+]1ccccc1 1458a_200000086051_100000211926 [0,2,0,0,0,0|2,0,0]=4 2835 B12R1.32 O=C(CCO)Cc1ccccc1 1458a_100011216618_100015291786 [0,2,0,0,0,0|1,0,0]=3 2836 B12R1.32 O=C(CCO)Cc1ccccn1 1458a_100000233486_100000211926 [0,2,0,0,0,0|2,0,0]=4 2837 B12R1.32 O=C(CCO)Cc1ccccn1 1458a_100011216618_100000721315 [0,2,0,0,0,0|2,0,0]=4 2838 B12R1.32 O=C(CCO)Cc1cccnc1 1458a_100000737805_100000211926 [0,2,0,0,0,0|2,0,0]=4 2839 B12R1.32 O=C(CCO)Cc1cccnc1 1458a_100011216618_100000733263 [0,2,0,0,0,0|2,0,0]=4 2840 B12R1.32 O=C(CCO)Cc1ccncc1 1458a_100011216618_100000705612 [0,2,0,0,0,0|2,0,0]=4 2841 B12R1.32 O=C(CCO)Nc1ccccc1 22a_100000106764_100011216618 [0,2,0,0,0,0|2,0,0]=4 2842 B12R1.32 [13CH3]N(CCO)Cc1ccccc1 2230a_100000180844_200025704644 [0,2,0,0,0,0|1,0,1]=4 2843 B12R1.32 [13CH3]N(CCO)Cc1ccccc1 269982a_100000180844_200025704644 [0,2,0,0,0,0|1,0,1]=4 2844 B12R1.32 [13CH3]OCC(=O)Nc1ccccc1 34a_100000246334_200025704644 [0,2,0,0,0,0|2,0,0]=4 2845 B12R1.32 [13CH3]OCC(N)Cc1ccccc1 34a_100000739027_200025704644 [0,2,0,0,0,0|1,0,1]=4 2846 B12R1.32 [13CH3]SCC(=O)Cc1ccccc1 62a_100000233483_200025704644 [0,2,0,0,0,0|1,1,0]=4 2847 B12R1.32 [13CH3]SCC(=O)Cc1ccccc1 62a_200025704644_100000233483 [0,2,0,0,0,0|1,1,0]=4 2848 B12R1.252 CC(=CCNc1ccccc1)C 34a_100000106764_100000761012 [0,2,0,0,0,0|2,0,0]=4 2849 B12R1.252 CC(=CCOc1ccccc1)C 34a_100000210340_100000761012 [0,2,0,0,0,0|2,0,0]=4 2850 B12R1.252 CC(=CCOc1ccccc1)C 7a_100000210340_100000761012 [0,2,0,0,0,0|2,0,0]=4 2851 B12R1.252 CC(=CCSc1ccccc1)C 62a_100000719477_100000761012 [0,2,0,0,0,0|2,0,0]=4 2852 B12R1.252 CC(=CCSc1ccccc1)C 62a_100000761012_100000041952 [0,2,0,0,0,0|2,0,0]=4 2853 B12R1.252 CC(O)CCNc1ccccc1 34a_100000106764_100012276601 [0,2,0,0,0,0|1,0,1]=4 2854 B12R1.252 CC(O)CCOc1ccccc1 34a_100000210340_100012276601 [0,2,0,0,0,0|1,0,1]=4 2855 B12R1.252 CC(O)CCOc1ccccc1 7a_100000210340_100012276601 [0,2,0,0,0,0|1,0,1]=4 2856 B12R1.252 CC(O)CCSc1ccccc1 62a_100000719477_100012276601 [0,2,0,0,0,0|1,0,1]=4 2857 B12R1.252 CC(O)CCSc1ccccc1 62a_100012276601_100000041952 [0,2,0,0,0,0|1,0,1]=4 2858 B12R1.252 CC(O)CNCc1ccccc1 207a_100000210904_100015611070 [0,2,0,0,0,0|1,0,1]=4 2859 B12R1.252 CC(O)CNCc1ccccc1 2230a_100000210904_100015291786 [0,2,0,0,0,0|1,0,1]=4 2860 B12R1.252 CC(O)CNCc1ccccc1 2230a_100015324214_100011218427 [0,2,0,0,0,0|1,0,1]=4 2861 B12R1.252 CC(O)CNCc1ccccc1 270004a_100000210904_100015611070 [0,2,0,0,0,0|1,0,1]=4 2862 B12R1.252 CC(O)CNCc1ccccc1 34a_100000210904_100015291786 [0,2,0,0,0,0|1,0,1]=4 2863 B12R1.252 CC(O)CNCc1ccccc1 34a_100015324214_100011218427 [0,2,0,0,0,0|1,0,1]=4 2864 B12R1.252 CC(O)COCc1ccccc1 34a_100000210790_100011218427 [0,2,0,0,0,0|1,0,1]=4 2865 B12R1.252 CC(O)COCc1ccccc1 7a_100000210790_100011218427 [0,2,0,0,0,0|1,0,1]=4 2866 B12R1.252 CC(O)CSCc1ccccc1 62a_100000211182_100011218427 [0,2,0,0,0,0|1,0,1]=4 2867 B12R1.252 CC(O)CSCc1ccccc1 62a_100011218427_100015291786 [0,2,0,0,0,0|1,0,1]=4 2868 B12R1.252 C[C@@H](O)CNCc1ccccc1 2230a_100015324214_100009817552 [0,2,0,0,0,0|1,0,1]=4 2869 B12R1.252 C[C@@H](O)CNCc1ccccc1 34a_100015324214_100009817552 [0,2,0,0,0,0|1,0,1]=4 2870 B12R1.252 C[C@@H](O)COCc1ccccc1 34a_100000210790_100009817552 [0,2,0,0,0,0|1,0,1]=4 2871 B12R1.252 C[C@@H](O)COCc1ccccc1 7a_100000210790_100009817552 [0,2,0,0,0,0|1,0,1]=4 2872 B12R1.252 C[C@@H](O)CSCc1ccccc1 62a_100000211182_100009817552 [0,2,0,0,0,0|1,0,1]=4 2873 B12R1.252 C[C@@H](O)CSCc1ccccc1 62a_100009817552_100015291786 [0,2,0,0,0,0|1,0,1]=4 2874 B12R1.252 O=C(O)CNCc1ccccc1 269956a_100016091260_100015291786 [0,2,0,0,0,0|1,0,1]=4 2875 B12R1.43 C=C(C)C(=O)Cc1ccccc1 1458a_100000185857_100015291786 [0,2,0,0,0,0|2,0,0]=4 2876 B12R1.43 CC(C)C(=O)Cc1ccccc1 1458a_100000210198_100015291786 [0,2,0,0,0,0|2,0,0]=4 2877 B12R1.43 CC(F)C(=O)Cc1ccccc1 1458a_100000062450_100015291786 [0,2,0,0,0,0|2,0,0]=4 2878 B12R1.43 C[C@@H](O)C(=O)Cc1ccccc1 1458a_100000717761_100015291786 [0,2,0,0,0,0|1,0,0]=3 2879 B12R1.43 C[C@@H](O)C(=O)Cc1ccccn1 1458a_100000717761_100000721315 [0,2,0,0,0,0|2,0,0]=4 2880 B12R1.43 C[C@@H](O)C(=O)Cc1cccnc1 1458a_100000717761_100000733263 [0,2,0,0,0,0|2,0,0]=4 2881 B12R1.43 C[C@@H](O)C(=O)Cc1ccncc1 1458a_100000717761_100000705612 [0,2,0,0,0,0|2,0,0]=4 2882 B12R1.43 C[C@@H](O)C(=O)Nc1ccccc1 22a_100000106764_100000717761 [0,2,0,0,0,0|2,0,0]=4 2883 B12R1.43 C[C@H](O)C(=O)Cc1ccccc1 1458a_217856618621_100015291786 [0,2,0,0,0,0|1,0,0]=3 2884 B12R1.43 C[C@H](O)C(=O)Cc1ccccn1 1458a_217856618621_100000721315 [0,2,0,0,0,0|2,0,0]=4 2885 B12R1.43 C[C@H](O)C(=O)Cc1cccnc1 1458a_217856618621_100000733263 [0,2,0,0,0,0|2,0,0]=4 2886 B12R1.43 C[C@H](O)C(=O)Cc1ccncc1 1458a_217856618621_100000705612 [0,2,0,0,0,0|2,0,0]=4 2887 B12R1.43 C[C@H](O)C(=O)Nc1ccccc1 1626a_100000106764_217856618621 [0,2,0,0,0,0|2,0,0]=4 2888 B12R1.43 C[C@H](O)C(=O)Nc1ccccc1 22a_100000106764_217856618621 [0,2,0,0,0,0|2,0,0]=4 2889 B12R1.43 O=C(Cc1ccccc1)C(O)O 1458a_100000233687_100015291786 [0,2,0,0,0,0|1,0,0]=3 2890 B12R1.43 O=C(Cc1ccccn1)C(O)O 1458a_100000233687_100000721315 [0,2,0,0,0,0|2,0,0]=4 2891 B12R1.43 O=C(Cc1cccnc1)C(O)O 1458a_100000233687_100000733263 [0,2,0,0,0,0|2,0,0]=4 2892 B12R1.43 O=C(Cc1ccncc1)C(O)O 1458a_100000233687_100000705612 [0,2,0,0,0,0|2,0,0]=4 2893 B12R1.43 O=C(Nc1ccccc1)C(O)O 22a_100000106764_100000233687 [0,2,0,0,0,0|2,0,0]=4 2894 B12R1.118 CNC(CO)Cc1ccccc1 2230a_100000739027_200000210301 [0,2,0,0,0,0|1,0,1]=4 2895 B12R1.118 [13CH3]NC(CO)Cc1ccccc1 2230a_100000739027_200025704644 [0,2,0,0,0,0|1,0,1]=4 2896 B12R1.891 CC(C)(O)C=Cc1ccccc1 271570a_200016258132_100000210277 [0,2,0,0,0,0|1,0,1]=4 2897 B10R1.172 C=Cc1cccc(c1)CO 271570a_100011290941_100000687537 [0,0,1,1,0,0|1,0,1]=4 2898 B10R1.172 C=Cc1cccc(n1)CO 271570a_100011290941_100000694195 [0,0,1,1,0,0|2,0,0]=4 2899 B10R2.6 c1ccc(cc1)C2CC2 271570a_100011220607_100000210277 [1,0,0,1,0,0|1,0,1]=4 2900 B12R2.24 Oc1cc2ccccc2cn1 271570a_203496583355_100000047361 [0,1,0,1,0,0|1,0,1]=4 2901 B12R2.24 Oc1ccc2c(c1)CCCO2 271570a_203496583355_100011393166 [0,1,0,1,0,0|1,0,1]=4 2902 B12R2.24 Oc1ccc2c(c1)OCCC2 271570a_203496583355_100010700467 [0,1,0,1,0,0|1,0,1]=4 2903 B12R2.24 Oc1ccc2ccccc2c1 271570a_203496583355_100000233703 [0,1,0,1,0,0|1,0,1]=4 2904 B12R2.24 Oc1ccc2ccccc2n1 271570a_203496583355_100011291633 [0,1,0,1,0,0|1,0,1]=4 2905 B12R2.24 Oc1ccc2ccncc2c1 271570a_203496583355_100000686496 [0,1,0,1,0,0|1,0,1]=4 2906 B12R2.24 Oc1ccc2cnccc2c1 271570a_203496583355_100009816743 [0,1,0,1,0,0|1,0,1]=4 2907 B12R2.24 Oc1ccc2cncnc2c1 271570a_203496583355_100010185614 [0,1,0,1,0,0|2,0,0]=4 2908 B12R2.24 Oc1ccc2ncncc2c1 271570a_203496583355_100009989443 [0,1,0,1,0,0|2,0,0]=4 2909 B12R2.24 Oc1ccc2nnccc2c1 271570a_203496583355_100010209549 [0,1,0,1,0,0|1,0,1]=4 2910 B12R2.24 Oc1cnc2ccccc2c1 271570a_203496583355_100000737414 [0,1,0,1,0,0|2,0,0]=4 2911 B12R2.24 Oc1cnc2ccccc2n1 271570a_203496583355_100000756483 [0,1,0,1,0,0|2,0,0]=4 2912 B12R2.24 Oc1ncc2ccccc2n1 271570a_203496583355_100000097389 [0,1,0,1,0,0|2,0,0]=4 2913 B12R2.132 Nc1ccc2scc(c2c1)O 271570a_203496583355_100011178648 [0,1,0,1,0,0|2,0,0]=4 2914 B12R2.132 Oc1ccc2c(c1)C(CC2)O 271570a_203496583355_100011836024 [0,1,0,1,0,0|1,0,1]=4 2915 B12R2.2 C1=C(COC1)c2ccccc2 271570a_100009872500_100000210277 [0,1,0,1,0,0|1,0,1]=4 2916 B12R2.2 c1cc(ccn1)c2cnco2 271570a_100000752145_100020591547 [0,1,0,1,0,0|1,0,1]=4 2917 B12R2.2 c1cc(ccn1)c2cnoc2 271570a_100000752145_100009815712 [0,1,0,1,0,0|1,0,1]=4 2918 B12R2.2 c1ccc(cc1)c2ccco2 271570a_100000750936_100000210277 [0,1,0,1,0,0|1,0,1]=4 2919 B12R2.2 c1ccc(cc1)c2ccco2 271570a_100011218836_100009814098 [0,1,0,1,0,0|1,0,1]=4 2920 B12R2.2 c1ccc(cc1)c2ccoc2 271570a_100011218836_100011215275 [0,1,0,1,0,0|1,0,1]=4 2921 B12R2.2 c1ccc(cc1)c2ccoc2 271570a_100011218838_100000210277 [0,1,0,1,0,0|1,0,1]=4 2922 B12R2.2 c1ccc(cc1)c2cn[nH]c2 271570a_100000041997_100000210277 [0,1,0,1,0,0|1,0,1]=4 2923 B12R2.2 c1ccc(cc1)c2cn[nH]c2 271570a_100011218836_100000238712 [0,1,0,1,0,0|1,0,1]=4 2924 B12R2.2 c1ccc(cc1)c2cnco2 271570a_100011218836_100020591547 [0,1,0,1,0,0|0,0,1]=3 2925 B12R2.2 c1ccc(cc1)c2cncs2 271570a_100010231675_100000210277 [0,1,0,1,0,0|0,1,1]=4 2926 B12R2.2 c1ccc(cc1)c2cncs2 271570a_100011218836_100011934649 [0,1,0,1,0,0|0,1,1]=4 2927 B12R2.2 c1ccc(cc1)c2cnoc2 271570a_100011218836_100009815712 [0,1,0,1,0,0|0,0,1]=3 2928 B12R2.2 c1ccc(cc1)c2cnsc2 271570a_100011218836_100009815736 [0,1,0,1,0,0|0,1,1]=4 2929 B12R2.2 c1ccc(cc1)c2ncco2 271570a_100011218836_100011787736 [0,1,0,1,0,0|1,0,1]=4 2930 B12R2.2 c1ccc(cc1)c2ncns2 271570a_100011218836_100000693119 [0,1,0,1,0,0|0,1,1]=4 2931 B12R2.2 c1ccc(cc1)c2nncs2 271570a_100011218836_100000739804 [0,1,0,1,0,0|1,0,1]=4 2932 B12R2.2 c1ccc(nc1)c2cnco2 271570a_100011264011_100020591547 [0,1,0,1,0,0|1,0,1]=4 2933 B12R2.2 c1ccc(nc1)c2cnoc2 271570a_100011264011_100009815712 [0,1,0,1,0,0|1,0,1]=4 2934 B12R2.2 c1cncc(c1)c2cnco2 271570a_100000757648_100020591547 [0,1,0,1,0,0|1,0,1]=4 2935 B12R2.2 c1cncc(c1)c2cnoc2 271570a_100000757648_100009815712 [0,1,0,1,0,0|1,0,1]=4 2936 B12R2.931 COCC1Cc2c1cccc2 34a_100012476685_200000210301 [0,1,0,1,0,0|1,0,1]=4 2937 B12R2.931 COCC1Cc2c1cccc2 7a_100012476685_200000210301 [0,1,0,1,0,0|1,0,1]=4 2938 B12R2.931 [13CH3]OCC1Cc2c1cccc2 34a_100012476685_200025704644 [0,1,0,1,0,0|1,0,1]=4 2939 B12R2.931 [13CH3]OCC1Cc2c1cccc2 7a_100012476685_200025704644 [0,1,0,1,0,0|1,0,1]=4 2940 B12R2.1081 Oc1cccc2c1CCCO2 271570a_203496583355_100010188023 [0,1,0,1,0,0|1,0,1]=4 2941 B12R2.1081 Oc1cccc2c1CCN=C2 271570a_203496583355_100010982778 [0,1,0,1,0,0|1,0,1]=4 2942 B12R2.1081 Oc1cccc2c1OCCC2 271570a_203496583355_100010204675 [0,1,0,1,0,0|1,0,1]=4 2943 B12R2.1081 Oc1cccc2c1cccc2 271570a_203496583355_100000210605 [0,1,0,1,0,0|1,0,1]=4 2944 B12R2.1081 Oc1cccc2c1ccnc2 271570a_203496583355_100000186358 [0,1,0,1,0,0|1,0,1]=4 2945 B12R2.1081 Oc1cccc2c1cncc2 271570a_203496583355_100000685578 [0,1,0,1,0,0|1,0,1]=4 2946 B12R2.1081 Oc1cccc2c1cncn2 271570a_203496583355_100009814520 [0,1,0,1,0,0|2,0,0]=4 2947 B12R2.1081 Oc1cccc2c1ncnc2 271570a_203496583355_100010246313 [0,1,0,1,0,0|2,0,0]=4 2948 B12R2.1081 Oc1ccnc2c1cccc2 271570a_203496583355_100011215880 [0,1,0,1,0,0|1,0,1]=4 2949 B12R2.1081 Oc1cncc2c1cccc2 271570a_203496583355_100000187577 [0,1,0,1,0,0|1,0,1]=4 2950 B12R2.1081 Oc1cnnc2c1cccc2 271570a_203496583355_100000063506 [0,1,0,1,0,0|1,0,1]=4 2951 B12R2.1081 Oc1nccc2c1cccc2 271570a_203496583355_100011934041 [0,1,0,1,0,0|0,0,1]=3 2952 B12R2.1081 Oc1nccc2c1cccn2 271570a_203496583355_100000077681 [0,1,0,1,0,0|1,0,1]=4 2953 B12R2.1081 Oc1nccc2c1cncc2 271570a_203496583355_100000116921 [0,1,0,1,0,0|1,0,1]=4 2954 B12R2.1081 Oc1nccc2c1nccc2 271570a_203496583355_100010063729 [0,1,0,1,0,0|1,0,1]=4 2955 B12R2.1081 Oc1ncnc2c1cccc2 271570a_203496583355_100000217608 [0,1,0,1,0,0|1,0,0]=3 2956 B12R2.1081 Oc1ncnc2c1cccn2 271570a_203496583355_100000026734 [0,1,0,1,0,0|2,0,0]=4 2957 B12R2.1081 Oc1ncnc2c1ccnc2 271570a_203496583355_100000098430 [0,1,0,1,0,0|2,0,0]=4 2958 B12R2.196 Oc1cccc2c1CC[C@@H]2O 271570a_203496583355_100010080924 [0,1,0,1,0,0|1,0,1]=4 2959 B12R2.612 Oc1ccc2c(c1)CCC2O 271570a_203496583355_100000747877 [0,1,0,1,0,0|1,0,1]=4 2960 B12R2.1 COC1CCc2c1cccc2 34a_100000212247_200000210301 [0,1,0,1,0,0|1,0,1]=4 2961 B12R2.1 COC1CCc2c1cccc2 7a_100000212247_200000210301 [0,1,0,1,0,0|1,0,1]=4 2962 B12R2.1 COc1csc2c1cccc2 34a_100000077758_200000210301 [0,1,0,1,0,0|2,0,0]=4 2963 B12R2.1 COc1csc2c1cccc2 7a_100000077758_200000210301 [0,1,0,1,0,0|2,0,0]=4 2964 B12R2.1 [13CH3]OC1CCc2c1cccc2 34a_100000212247_200025704644 [0,1,0,1,0,0|1,0,1]=4 2965 B12R2.1 [13CH3]OC1CCc2c1cccc2 7a_100000212247_200025704644 [0,1,0,1,0,0|1,0,1]=4 2966 B12R2.1 [13CH3]Oc1csc2c1cccc2 34a_100000077758_200025704644 [0,1,0,1,0,0|2,0,0]=4 2967 B12R2.1 [13CH3]Oc1csc2c1cccc2 7a_100000077758_200025704644 [0,1,0,1,0,0|2,0,0]=4 2968 B12R2.2057 c1ccc(cc1)NCC2CO2 34a_100000106764_102125554688 [0,1,0,1,0,0|1,0,1]=4 2969 B12R2.2057 c1ccc(cc1)OCC2CO2 34a_100000210340_102125554688 [0,1,0,1,0,0|1,0,1]=4 2970 B12R2.2057 c1ccc(cc1)OCC2CO2 7a_100000210340_102125554688 [0,1,0,1,0,0|1,0,1]=4 2971 B12R2.2057 c1ccc(cc1)OC[C@@H]2CO2 7a_100000210340_100000745022 [0,1,0,1,0,0|1,0,1]=4 2972 B12R2.2057 c1ccc(cc1)SCC2CO2 62a_100000719477_102125554688 [0,1,0,1,0,0|1,0,1]=4 2973 B12R2.2057 c1ccc(cc1)SCC2CO2 62a_102125554688_100000041952 [0,1,0,1,0,0|1,0,1]=4 2974 B12R2.2057 c1ccc(cc1)SC[C@@H]2CO2 62a_100000719477_100000745022 [0,1,0,1,0,0|1,0,1]=4 2975 B12R2.2057 c1ccc(cc1)SC[C@@H]2CO2 62a_100000745022_100000041952 [0,1,0,1,0,0|1,0,1]=4 2976 B12R2.18 Cc1oc2ccccc2c1O 271570a_203496583355_200010236113 [0,1,0,1,0,0|2,0,0]=4 2977 B12R2.18 Cc1sc2ccccc2c1O 271570a_203496583355_100010002616 [0,1,0,1,0,0|2,0,0]=4