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|3,0,0]=3 5 B10R1.17 C=CCOc1ccccc1 34a_100000210340_100015514636 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.17 C=CCOc1ccccc1 7a_100000210340_100015514636 [0,0,0,0,0,0|3,0,0]=3 7 B10R1.17 C=CCOc1cccnc1 34a_100000210849_100015514636 [0,0,0,0,0,0|4,0,0]=4 8 B10R1.17 C=CCOc1cccnc1 7a_100000210849_100015514636 [0,0,0,0,0,0|4,0,0]=4 9 B10R1.17 C=CCOc1ccncc1 34a_100000212176_100015514636 [0,0,0,0,0,0|4,0,0]=4 10 B10R1.17 C=CCSc1ccccc1 62a_100000210623_100000041952 [0,0,0,0,0,0|3,0,0]=3 11 B10R1.17 C=CCSc1ccccc1 62a_100000719477_100000210623 [0,0,0,0,0,0|3,0,0]=3 12 B10R1.17 C=CCSc1ccccn1 62a_100000210623_100011216584 [0,0,0,0,0,0|4,0,0]=4 13 B10R1.17 C=CCSc1ccccn1 62a_100011216584_100000210623 [0,0,0,0,0,0|4,0,0]=4 14 B10R1.17 C=CCSc1cccnc1 62a_100000210063_100000210623 [0,0,0,0,0,0|4,0,0]=4 15 B10R1.17 C=CCSc1cccnc1 62a_100000210623_100000210063 [0,0,0,0,0,0|4,0,0]=4 16 B10R1.17 C=CCSc1ccncc1 62a_100000210623_100000728582 [0,0,0,0,0,0|4,0,0]=4 17 B10R1.17 C=CCSc1ccncc1 62a_100000728582_100000210623 [0,0,0,0,0,0|4,0,0]=4 18 B10R1.17 CC=NNc1ccccc1 4a_100015195140_200000210099 [0,0,0,0,0,0|2,0,1]=3 19 B10R1.17 CC=NNc1ccccn1 4a_100000183288_200000210099 [0,0,0,0,0,0|3,0,1]=4 20 B10R1.17 CC=NNc1cccnc1 4a_100000728903_200000210099 [0,0,0,0,0,0|3,0,1]=4 21 B10R1.17 CC=NNc1ccncc1 4a_100000698918_200000210099 [0,0,0,0,0,0|3,0,1]=4 22 B10R1.17 CCCCc1ccccc1 271570a_100020621405_100000210277 [0,0,0,0,0,0|2,0,1]=3 23 B10R1.17 CCCCc1ccccn1 271570a_100020621405_100011216584 [0,0,0,0,0,0|3,0,1]=4 24 B10R1.17 CCCCc1cccnc1 271570a_100020621405_100000752921 [0,0,0,0,0,0|3,0,1]=4 25 B10R1.17 CCCCc1ccncc1 271570a_100020621405_100000035832 [0,0,0,0,0,0|3,0,1]=4 26 B10R1.17 CCCNc1ccccc1 34a_100000106764_100000210303 [0,0,0,0,0,0|3,0,1]=4 27 B10R1.17 CCCOc1ccccc1 34a_100000210340_100000210303 [0,0,0,0,0,0|3,0,1]=4 28 B10R1.17 CCCOc1ccccc1 7a_100000210340_100000210303 [0,0,0,0,0,0|3,0,1]=4 29 B10R1.17 CCCSc1ccccc1 62a_100000210303_100000041952 [0,0,0,0,0,0|3,0,1]=4 30 B10R1.17 CCCSc1ccccc1 62a_100000719477_100000210303 [0,0,0,0,0,0|3,0,1]=4 31 B10R1.17 CCNCc1ccccc1 207a_100015525214_100015611070 [0,0,0,0,0,0|1,0,1]=2 32 B10R1.17 CCNCc1ccccc1 2230a_100015324214_100000210202 [0,0,0,0,0,0|1,0,1]=2 33 B10R1.17 CCNCc1ccccc1 2230a_100015525214_100015291786 [0,0,0,0,0,0|1,0,1]=2 34 B10R1.17 CCNCc1ccccc1 270004a_100015525214_100015611070 [0,0,0,0,0,0|1,0,1]=2 35 B10R1.17 CCNCc1ccccc1 34a_100015324214_100000210202 [0,0,0,0,0,0|1,0,1]=2 36 B10R1.17 CCNCc1ccccn1 207a_100015525214_100000209966 [0,0,0,0,0,0|2,0,1]=3 37 B10R1.17 CCNCc1ccccn1 2230a_100015525214_100000721315 [0,0,0,0,0,0|2,0,1]=3 38 B10R1.17 CCNCc1ccccn1 270004a_100015525214_100000209966 [0,0,0,0,0,0|2,0,1]=3 39 B10R1.17 CCNCc1cccnc1 207a_100015525214_100000209961 [0,0,0,0,0,0|2,0,1]=3 40 B10R1.17 CCNCc1cccnc1 2230a_100015525214_100000741622 [0,0,0,0,0,0|2,0,1]=3 41 B10R1.17 CCNCc1cccnc1 270004a_100015525214_100000209961 [0,0,0,0,0,0|2,0,1]=3 42 B10R1.17 CCNCc1cccnn1 2230a_100015525214_100016990269 [0,0,0,0,0,0|3,0,1]=4 43 B10R1.17 CCNCc1cccnn1 2230a_100159270163_100000210202 [0,0,0,0,0,0|3,0,1]=4 44 B10R1.17 CCNCc1ccncc1 207a_100015525214_100000186114 [0,0,0,0,0,0|2,0,1]=3 45 B10R1.17 CCNCc1ccncc1 2230a_100015525214_100015193705 [0,0,0,0,0,0|2,0,1]=3 46 B10R1.17 CCNCc1ccnnc1 270004a_100015525214_100011934578 [0,0,0,0,0,0|3,0,1]=4 47 B10R1.17 CCNCc1cnccn1 2230a_100015525214_100016995436 [0,0,0,0,0,0|3,0,1]=4 48 B10R1.17 CCNCc1cnccn1 270004a_100015525214_100000749867 [0,0,0,0,0,0|3,0,1]=4 49 B10R1.17 CCNCc1cncnc1 2230a_100011243677_100000210202 [0,0,0,0,0,0|3,0,1]=4 50 B10R1.17 CCNCc1cncnc1 2230a_100015525214_100015196519 [0,0,0,0,0,0|3,0,1]=4 51 B10R1.17 CCNCc1cncnc1 270004a_100015525214_100000749868 [0,0,0,0,0,0|3,0,1]=4 52 B10R1.17 CCNCc1ncccn1 2230a_100015525214_100000703007 [0,0,0,0,0,0|3,0,1]=4 53 B10R1.17 CCNCc1ncccn1 270004a_100015525214_100011532527 [0,0,0,0,0,0|3,0,1]=4 54 B10R1.17 CCOCc1ccccc1 34a_100000210790_100000210202 [0,0,0,0,0,0|2,0,1]=3 55 B10R1.17 CCOCc1ccccc1 34a_100121572206_100015291786 [0,0,0,0,0,0|2,0,1]=3 56 B10R1.17 CCOCc1ccccc1 7a_100000210790_100000210202 [0,0,0,0,0,0|2,0,1]=3 57 B10R1.17 CCOCc1ccccn1 34a_100121572206_100000721315 [0,0,0,0,0,0|3,0,1]=4 58 B10R1.17 CCOCc1cccnc1 34a_100121572206_100000733263 [0,0,0,0,0,0|3,0,1]=4 59 B10R1.17 CCSCc1ccccc1 62a_100000210202_100015291786 [0,0,0,0,0,0|2,0,1]=3 60 B10R1.17 CCSCc1ccccc1 62a_100000211182_100000210202 [0,0,0,0,0,0|2,0,1]=3 61 B10R1.17 CCSCc1ccccn1 62a_100000210202_100000721315 [0,0,0,0,0,0|3,0,1]=4 62 B10R1.17 CCSCc1ccccn1 62a_100000721315_100000210202 [0,0,0,0,0,0|3,0,1]=4 63 B10R1.17 CCSCc1cccnc1 62a_100000210202_100000741622 [0,0,0,0,0,0|3,0,1]=4 64 B10R1.17 CCSCc1cccnc1 62a_100000741622_100000210202 [0,0,0,0,0,0|3,0,1]=4 65 B10R1.17 CCSCc1ccncc1 62a_100000210202_100015193705 [0,0,0,0,0,0|3,0,1]=4 66 B10R1.17 CCSCc1ccncc1 62a_100015193705_100000210202 [0,0,0,0,0,0|3,0,1]=4 67 B10R1.17 CNCCc1ccccc1 2230a_100000106460_200000210301 [0,0,0,0,0,0|3,0,0]=3 68 B10R1.17 CNCCc1ccccc1 2230a_106832991635_100000765856 [0,0,0,0,0,0|3,0,0]=3 69 B10R1.17 CNCCc1ccccc1 34a_100000106460_200000210301 [0,0,0,0,0,0|3,0,0]=3 70 B10R1.17 CNCCc1ccccc1 34a_100102657272_100000765856 [0,0,0,0,0,0|3,0,0]=3 71 B10R1.17 CNCCc1ccccc1 7a_106832991635_100000765856 [0,0,0,0,0,0|3,0,0]=3 72 B10R1.17 CNCCc1ccccn1 2230a_106832991635_100015183660 [0,0,0,0,0,0|4,0,0]=4 73 B10R1.17 CNCCc1ccccn1 7a_106832991635_100015183660 [0,0,0,0,0,0|4,0,0]=4 74 B10R1.17 CNCCc1cccnc1 2230a_100000736294_200000210301 [0,0,0,0,0,0|4,0,0]=4 75 B10R1.17 CNCCc1cccnc1 2230a_106832991635_200011713674 [0,0,0,0,0,0|4,0,0]=4 76 B10R1.17 CNCCc1cccnc1 7a_106832991635_200011713674 [0,0,0,0,0,0|4,0,0]=4 77 B10R1.17 CNCCc1ccncc1 2230a_106832991635_100000723409 [0,0,0,0,0,0|4,0,0]=4 78 B10R1.17 CNCCc1ccncc1 7a_106832991635_100000723409 [0,0,0,0,0,0|4,0,0]=4 79 B10R1.17 CNCSc1ccccc1 2230a_106832991635_100011218342 [0,0,0,0,0,0|4,0,0]=4 80 B10R1.17 COCCc1ccccc1 34a_100000210268_200000210301 [0,0,0,0,0,0|3,0,0]=3 81 B10R1.17 COCCc1ccccc1 34a_100138415774_100000765856 [0,0,0,0,0,0|3,0,0]=3 82 B10R1.17 COCCc1ccccc1 7a_100000210268_200000210301 [0,0,0,0,0,0|3,0,0]=3 83 B10R1.17 COCCc1ccccn1 34a_100000210271_200000210301 [0,0,0,0,0,0|4,0,0]=4 84 B10R1.17 COCCc1cccnc1 34a_100011217484_200000210301 [0,0,0,0,0,0|4,0,0]=4 85 B10R1.17 COCCc1ccncc1 34a_100011216225_200000210301 [0,0,0,0,0,0|4,0,0]=4 86 B10R1.17 COCSc1ccccc1 62a_100000719477_100000766300 [0,0,0,0,0,0|4,0,0]=4 87 B10R1.17 COCSc1ccccc1 62a_100000766300_100000041952 [0,0,0,0,0,0|4,0,0]=4 88 B10R1.17 CSCCc1ccccc1 62a_100000765856_200000210301 [0,0,0,0,0,0|3,0,0]=3 89 B10R1.17 CSCCc1ccccc1 62a_200000210301_100011218657 [0,0,0,0,0,0|3,0,0]=3 90 B10R1.17 CSCCc1ccccn1 62a_100015183660_200000210301 [0,0,0,0,0,0|4,0,0]=4 91 B10R1.17 CSCCc1ccccn1 62a_200000210301_100015183660 [0,0,0,0,0,0|4,0,0]=4 92 B10R1.17 CSCCc1cccnc1 62a_200000210301_200011713674 [0,0,0,0,0,0|4,0,0]=4 93 B10R1.17 CSCCc1cccnc1 62a_200011713674_200000210301 [0,0,0,0,0,0|4,0,0]=4 94 B10R1.17 CSCCc1ccncc1 62a_100000723409_200000210301 [0,0,0,0,0,0|4,0,0]=4 95 B10R1.17 CSCCc1ccncc1 62a_200000210301_100000723409 [0,0,0,0,0,0|4,0,0]=4 96 B10R1.17 CSCNc1ccccc1 34a_100000106764_100011218213 [0,0,0,0,0,0|4,0,0]=4 97 B10R1.17 CSCOc1ccccc1 34a_100000210340_100011218213 [0,0,0,0,0,0|4,0,0]=4 98 B10R1.17 CSCSc1ccccc1 62a_100000719477_100011218213 [0,0,0,0,0,0|4,0,0]=4 99 B10R1.17 CSCSc1ccccc1 62a_100011218213_100000041952 [0,0,0,0,0,0|4,0,0]=4 100 B10R1.17 CSCSc1ccccc1 62a_100011218342_200000210301 [0,0,0,0,0,0|4,0,0]=4 101 B10R1.17 CSCSc1ccccc1 62a_200000210301_100011218342 [0,0,0,0,0,0|4,0,0]=4 102 B10R1.17 FCCNc1ccccc1 34a_100000106764_100011217306 [0,0,0,0,0,0|3,0,1]=4 103 B10R1.17 FCCOc1ccccc1 34a_100000210340_100011217306 [0,0,0,0,0,0|3,0,1]=4 104 B10R1.17 FCCOc1ccccc1 7a_100000210340_100011217306 [0,0,0,0,0,0|3,0,1]=4 105 B10R1.17 FCCSc1ccccc1 62a_100000719477_100011217306 [0,0,0,0,0,0|3,0,1]=4 106 B10R1.17 FCCSc1ccccc1 62a_100011217306_100000041952 [0,0,0,0,0,0|3,0,1]=4 107 B10R1.17 FCNCc1ccccc1 34a_100015324214_100015361967 [0,0,0,0,0,0|1,0,1]=2 108 B10R1.17 FCOCc1ccccc1 34a_100000210790_100015361967 [0,0,0,0,0,0|2,0,1]=3 109 B10R1.17 FCOCc1ccccc1 7a_100000210790_100015361967 [0,0,0,0,0,0|2,0,1]=3 110 B10R1.17 FCSCc1ccccc1 62a_100000211182_100015361967 [0,0,0,0,0,0|2,0,1]=3 111 B10R1.17 FCSCc1ccccc1 62a_100015361967_100015291786 [0,0,0,0,0,0|2,0,1]=3 112 B10R1.17 FCSCc1ccccn1 62a_100000721315_100015361967 [0,0,0,0,0,0|3,0,1]=4 113 B10R1.17 FCSCc1ccccn1 62a_100015361967_100000721315 [0,0,0,0,0,0|3,0,1]=4 114 B10R1.17 FCSCc1cccnc1 62a_100000741622_100015361967 [0,0,0,0,0,0|3,0,1]=4 115 B10R1.17 FCSCc1cccnc1 62a_100015361967_100000741622 [0,0,0,0,0,0|3,0,1]=4 116 B10R1.17 FCSCc1ccncc1 62a_100015193705_100015361967 [0,0,0,0,0,0|3,0,1]=4 117 B10R1.17 FCSCc1ccncc1 62a_100015361967_100015193705 [0,0,0,0,0,0|3,0,1]=4 118 B10R1.17 N#CCOc1ccccc1 7a_100000210340_100011215382 [0,0,0,0,0,0|3,0,1]=4 119 B10R1.17 N#CCSc1ccccc1 62a_100000719477_100011215382 [0,0,0,0,0,0|3,0,1]=4 120 B10R1.17 N#CCSc1ccccc1 62a_100011215382_100000041952 [0,0,0,0,0,0|3,0,1]=4 121 B10R1.17 O=CCNc1ccccc1 34a_100000106764_200009817547 [0,0,0,0,0,0|2,0,0]=2 122 B10R1.17 O=CCOc1ccccc1 34a_100000210340_200009817547 [0,0,0,0,0,0|2,0,0]=2 123 B10R1.17 O=CCOc1ccccc1 7a_100000210340_200015260668 [0,0,0,0,0,0|2,0,0]=2 124 B10R1.17 O=CCOc1cccnc1 34a_100000210849_200009817547 [0,0,0,0,0,0|3,0,0]=3 125 B10R1.17 O=CCOc1cccnc1 7a_100000210849_200015260668 [0,0,0,0,0,0|3,0,0]=3 126 B10R1.17 O=CCOc1ccncc1 34a_100000212176_200009817547 [0,0,0,0,0,0|3,0,0]=3 127 B10R1.17 O=CCOc1ccnnc1 34a_100015204005_200009817547 [0,0,0,0,0,0|4,0,0]=4 128 B10R1.17 O=CCOc1cncnc1 7a_100000754086_200015260668 [0,0,0,0,0,0|4,0,0]=4 129 B10R1.17 O=CCSc1ccccc1 62a_100000719477_200015260668 [0,0,0,0,0,0|2,0,0]=2 130 B10R1.17 O=CCSc1ccccc1 62a_200015260668_100000041952 [0,0,0,0,0,0|2,0,0]=2 131 B10R1.17 O=CCSc1ccccn1 62a_100011216584_200015260668 [0,0,0,0,0,0|3,0,0]=3 132 B10R1.17 O=CCSc1ccccn1 62a_200015260668_100011216584 [0,0,0,0,0,0|3,0,0]=3 133 B10R1.17 O=CCSc1cccnc1 62a_100000210063_200015260668 [0,0,0,0,0,0|3,0,0]=3 134 B10R1.17 O=CCSc1cccnc1 62a_200015260668_100000210063 [0,0,0,0,0,0|3,0,0]=3 135 B10R1.17 O=CCSc1cccnn1 62a_100016991348_200015260668 [0,0,0,0,0,0|4,0,0]=4 136 B10R1.17 O=CCSc1cccnn1 62a_200015260668_100016991348 [0,0,0,0,0,0|4,0,0]=4 137 B10R1.17 O=CCSc1ccncc1 62a_100000728582_200015260668 [0,0,0,0,0,0|3,0,0]=3 138 B10R1.17 O=CCSc1ccncc1 62a_200015260668_100000728582 [0,0,0,0,0,0|3,0,0]=3 139 B10R1.17 O=CCSc1ccncn1 62a_100000703185_200015260668 [0,0,0,0,0,0|4,0,0]=4 140 B10R1.17 O=CCSc1ccncn1 62a_200015260668_100000703185 [0,0,0,0,0,0|4,0,0]=4 141 B10R1.17 O=CCSc1ccnnc1 62a_100000732662_200015260668 [0,0,0,0,0,0|4,0,0]=4 142 B10R1.17 O=CCSc1ccnnc1 62a_200015260668_100000732662 [0,0,0,0,0,0|4,0,0]=4 143 B10R1.17 O=CCSc1cnccn1 62a_100000211759_200015260668 [0,0,0,0,0,0|4,0,0]=4 144 B10R1.17 O=CCSc1cnccn1 62a_200015260668_100000211759 [0,0,0,0,0,0|4,0,0]=4 145 B10R1.17 O=CCSc1cncnc1 62a_100011206942_200015260668 [0,0,0,0,0,0|4,0,0]=4 146 B10R1.17 O=CCSc1cncnc1 62a_200015260668_100011206942 [0,0,0,0,0,0|4,0,0]=4 147 B10R1.17 O=CCSc1ncccn1 62a_100000211032_200015260668 [0,0,0,0,0,0|4,0,0]=4 148 B10R1.17 O=CCSc1ncccn1 62a_200015260668_100000211032 [0,0,0,0,0,0|4,0,0]=4 149 B10R1.17 OCCNc1ccccc1 34a_100000106764_100000211926 [0,0,0,0,0,0|2,0,2]=4 150 B10R1.17 OCCOc1ccccc1 34a_100000210340_100000211926 [0,0,0,0,0,0|2,0,2]=4 151 B10R1.17 OCCOc1ccccc1 7a_100000210340_100000211926 [0,0,0,0,0,0|2,0,2]=4 152 B10R1.17 OCCSc1ccccc1 62a_100000211926_100000041952 [0,0,0,0,0,0|2,0,2]=4 153 B10R1.17 OCCSc1ccccc1 62a_100000719477_100000211926 [0,0,0,0,0,0|2,0,2]=4 154 B10R1.17 [13CH3]NCCc1ccccc1 2230a_100000106460_200025704644 [0,0,0,0,0,0|3,0,0]=3 155 B10R1.17 [13CH3]NCCc1ccccc1 34a_100000106460_200025704644 [0,0,0,0,0,0|3,0,0]=3 156 B10R1.17 [13CH3]NCCc1cccnc1 2230a_100000736294_200025704644 [0,0,0,0,0,0|4,0,0]=4 157 B10R1.17 [13CH3]OCCc1ccccc1 34a_100000210268_200025704644 [0,0,0,0,0,0|3,0,0]=3 158 B10R1.17 [13CH3]OCCc1ccccc1 7a_100000210268_200025704644 [0,0,0,0,0,0|3,0,0]=3 159 B10R1.17 [13CH3]OCCc1ccccn1 34a_100000210271_200025704644 [0,0,0,0,0,0|4,0,0]=4 160 B10R1.17 [13CH3]OCCc1cccnc1 34a_100011217484_200025704644 [0,0,0,0,0,0|4,0,0]=4 161 B10R1.17 [13CH3]OCCc1ccncc1 34a_100011216225_200025704644 [0,0,0,0,0,0|4,0,0]=4 162 B10R1.17 [13CH3]SCCc1ccccc1 62a_100000765856_200025704644 [0,0,0,0,0,0|3,0,0]=3 163 B10R1.17 [13CH3]SCCc1ccccc1 62a_200025704644_100011218657 [0,0,0,0,0,0|3,0,0]=3 164 B10R1.17 [13CH3]SCCc1ccccn1 62a_100015183660_200025704644 [0,0,0,0,0,0|4,0,0]=4 165 B10R1.17 [13CH3]SCCc1ccccn1 62a_200025704644_100015183660 [0,0,0,0,0,0|4,0,0]=4 166 B10R1.17 [13CH3]SCCc1cccnc1 62a_200011713674_200025704644 [0,0,0,0,0,0|4,0,0]=4 167 B10R1.17 [13CH3]SCCc1cccnc1 62a_200025704644_200011713674 [0,0,0,0,0,0|4,0,0]=4 168 B10R1.17 [13CH3]SCCc1ccncc1 62a_100000723409_200025704644 [0,0,0,0,0,0|4,0,0]=4 169 B10R1.17 [13CH3]SCCc1ccncc1 62a_200025704644_100000723409 [0,0,0,0,0,0|4,0,0]=4 170 B10R1.17 [13CH3]SCSc1ccccc1 62a_100011218342_200025704644 [0,0,0,0,0,0|4,0,0]=4 171 B10R1.17 [13CH3]SCSc1ccccc1 62a_200025704644_100011218342 [0,0,0,0,0,0|4,0,0]=4 172 B9R1.8 C=C=Cc1ccccc1 271570a_100015277604_100000210277 [1,0,0,0,0,0|1,0,1]=3 173 B9R1.8 C=C=Cc1ccccn1 271570a_100015277604_100011216584 [1,0,0,0,0,0|2,0,1]=4 174 B9R1.8 C=C=Cc1cccnc1 271570a_100015277604_100000752921 [1,0,0,0,0,0|2,0,1]=4 175 B9R1.8 C=C=Cc1ccncc1 271570a_100015277604_100000035832 [1,0,0,0,0,0|2,0,1]=4 176 B9R1.8 CC=Cc1ccccc1 271570a_100016259895_100000210277 [1,0,0,0,0,0|1,0,1]=3 177 B9R1.8 CC=Cc1ccccn1 271570a_100016259895_100011216584 [1,0,0,0,0,0|2,0,1]=4 178 B9R1.8 CC=Cc1cccnc1 271570a_100016259895_100000752921 [1,0,0,0,0,0|2,0,1]=4 179 B9R1.8 CC=Cc1ccncc1 271570a_100016259895_100000035832 [1,0,0,0,0,0|2,0,1]=4 180 B9R1.8 CCNc1ccccc1 34a_100000106764_100000210202 [1,0,0,0,0,0|1,0,1]=3 181 B9R1.8 CCOc1ccccc1 34a_100000210340_100000210202 [1,0,0,0,0,0|2,0,1]=4 182 B9R1.8 CCOc1ccccc1 7a_100000210340_100000210202 [1,0,0,0,0,0|2,0,1]=4 183 B9R1.8 CCSc1ccccc1 62a_100000210202_100000041952 [1,0,0,0,0,0|2,0,1]=4 184 B9R1.8 CCSc1ccccc1 62a_100000719477_100000210202 [1,0,0,0,0,0|2,0,1]=4 185 B9R1.8 CNCc1ccccc1 207a_100102657272_100015611070 [1,0,0,0,0,0|0,0,1]=2 186 B9R1.8 CNCc1ccccc1 2230a_100015324214_200000210301 [1,0,0,0,0,0|0,0,1]=2 187 B9R1.8 CNCc1ccccc1 2230a_106832991635_100015291786 [1,0,0,0,0,0|0,0,1]=2 188 B9R1.8 CNCc1ccccc1 270004a_106832991635_100015611070 [1,0,0,0,0,0|0,0,1]=2 189 B9R1.8 CNCc1ccccc1 34a_100015324214_200000210301 [1,0,0,0,0,0|0,0,1]=2 190 B9R1.8 CNCc1ccccc1 34a_100102657272_100015291786 [1,0,0,0,0,0|0,0,1]=2 191 B9R1.8 CNCc1ccccc1 7a_106832991635_100000211182 [1,0,0,0,0,0|0,0,1]=2 192 B9R1.8 CNCc1ccccn1 207a_100102657272_100000209966 [1,0,0,0,0,0|1,0,1]=3 193 B9R1.8 CNCc1ccccn1 2230a_106832991635_100000721315 [1,0,0,0,0,0|1,0,1]=3 194 B9R1.8 CNCc1ccccn1 270004a_106832991635_100000209966 [1,0,0,0,0,0|1,0,1]=3 195 B9R1.8 CNCc1ccccn1 34a_100102657272_100000721315 [1,0,0,0,0,0|1,0,1]=3 196 B9R1.8 CNCc1ccccn1 7a_106832991635_100000721315 [1,0,0,0,0,0|1,0,1]=3 197 B9R1.8 CNCc1cccnc1 207a_100102657272_100000209961 [1,0,0,0,0,0|1,0,1]=3 198 B9R1.8 CNCc1cccnc1 2230a_106832991635_100000741622 [1,0,0,0,0,0|1,0,1]=3 199 B9R1.8 CNCc1cccnc1 270004a_106832991635_100000209961 [1,0,0,0,0,0|1,0,1]=3 200 B9R1.8 CNCc1cccnc1 34a_100102657272_100000733263 [1,0,0,0,0,0|1,0,1]=3 201 B9R1.8 CNCc1cccnc1 7a_106832991635_100000741622 [1,0,0,0,0,0|1,0,1]=3 202 B9R1.8 CNCc1cccnn1 2230a_100159270163_200000210301 [1,0,0,0,0,0|2,0,1]=4 203 B9R1.8 CNCc1cccnn1 2230a_106832991635_100016990269 [1,0,0,0,0,0|2,0,1]=4 204 B9R1.8 CNCc1cccnn1 34a_100102657272_100016990269 [1,0,0,0,0,0|2,0,1]=4 205 B9R1.8 CNCc1cccnn1 7a_106832991635_100016990269 [1,0,0,0,0,0|2,0,1]=4 206 B9R1.8 CNCc1ccncc1 207a_100102657272_100000186114 [1,0,0,0,0,0|1,0,1]=3 207 B9R1.8 CNCc1ccncc1 2230a_106832991635_100015193705 [1,0,0,0,0,0|1,0,1]=3 208 B9R1.8 CNCc1ccncc1 7a_106832991635_100015193705 [1,0,0,0,0,0|1,0,1]=3 209 B9R1.8 CNCc1ccnnc1 270004a_106832991635_100011934578 [1,0,0,0,0,0|2,0,1]=4 210 B9R1.8 CNCc1cnccn1 2230a_106832991635_100016995436 [1,0,0,0,0,0|2,0,1]=4 211 B9R1.8 CNCc1cnccn1 270004a_106832991635_100000749867 [1,0,0,0,0,0|2,0,1]=4 212 B9R1.8 CNCc1cnccn1 34a_100102657272_100016995436 [1,0,0,0,0,0|2,0,1]=4 213 B9R1.8 CNCc1cnccn1 7a_106832991635_100016995436 [1,0,0,0,0,0|2,0,1]=4 214 B9R1.8 CNCc1cncnc1 2230a_100011243677_200000210301 [1,0,0,0,0,0|2,0,1]=4 215 B9R1.8 CNCc1cncnc1 2230a_106832991635_100015196519 [1,0,0,0,0,0|2,0,1]=4 216 B9R1.8 CNCc1cncnc1 270004a_106832991635_100000749868 [1,0,0,0,0,0|2,0,1]=4 217 B9R1.8 CNCc1cncnc1 34a_100102657272_100015196519 [1,0,0,0,0,0|2,0,1]=4 218 B9R1.8 CNCc1cncnc1 7a_106832991635_100015196519 [1,0,0,0,0,0|2,0,1]=4 219 B9R1.8 CNCc1ncccn1 2230a_106832991635_100000703007 [1,0,0,0,0,0|2,0,1]=4 220 B9R1.8 CNCc1ncccn1 270004a_106832991635_100011532527 [1,0,0,0,0,0|2,0,1]=4 221 B9R1.8 CNCc1ncccn1 34a_100102657272_100000703007 [1,0,0,0,0,0|2,0,1]=4 222 B9R1.8 CNCc1ncccn1 7a_106832991635_100000703007 [1,0,0,0,0,0|2,0,1]=4 223 B9R1.8 COCc1ccccc1 34a_100000210790_200000210301 [1,0,0,0,0,0|1,0,1]=3 224 B9R1.8 COCc1ccccc1 34a_100138415774_100015291786 [1,0,0,0,0,0|1,0,1]=3 225 B9R1.8 COCc1ccccc1 7a_100000210790_200000210301 [1,0,0,0,0,0|1,0,1]=3 226 B9R1.8 COCc1ccccn1 34a_100138415774_100000721315 [1,0,0,0,0,0|2,0,1]=4 227 B9R1.8 COCc1cccnc1 34a_100138415774_100000733263 [1,0,0,0,0,0|2,0,1]=4 228 B9R1.8 CSCc1ccccc1 62a_100000211182_200000210301 [1,0,0,0,0,0|1,0,1]=3 229 B9R1.8 CSCc1ccccc1 62a_200000210301_100015291786 [1,0,0,0,0,0|1,0,1]=3 230 B9R1.8 CSCc1ccccn1 62a_100000721315_200000210301 [1,0,0,0,0,0|2,0,1]=4 231 B9R1.8 CSCc1ccccn1 62a_200000210301_100000721315 [1,0,0,0,0,0|2,0,1]=4 232 B9R1.8 CSCc1cccnc1 62a_100000741622_200000210301 [1,0,0,0,0,0|2,0,1]=4 233 B9R1.8 CSCc1cccnc1 62a_200000210301_100000741622 [1,0,0,0,0,0|2,0,1]=4 234 B9R1.8 CSCc1ccncc1 62a_100015193705_200000210301 [1,0,0,0,0,0|2,0,1]=4 235 B9R1.8 CSCc1ccncc1 62a_200000210301_100015193705 [1,0,0,0,0,0|2,0,1]=4 236 B9R1.8 FCNc1ccccc1 34a_100000106764_100015361967 [1,0,0,0,0,0|1,0,1]=3 237 B9R1.8 FCOc1ccccc1 34a_100000210340_100015361967 [1,0,0,0,0,0|2,0,1]=4 238 B9R1.8 FCOc1ccccc1 7a_100000210340_100015361967 [1,0,0,0,0,0|2,0,1]=4 239 B9R1.8 FCSc1ccccc1 62a_100000719477_100015361967 [1,0,0,0,0,0|2,0,1]=4 240 B9R1.8 FCSc1ccccc1 62a_100015361967_100000041952 [1,0,0,0,0,0|2,0,1]=4 241 B9R1.8 [13CH3]NCc1ccccc1 2230a_100015324214_200025704644 [1,0,0,0,0,0|0,0,1]=2 242 B9R1.8 [13CH3]NCc1ccccc1 34a_100015324214_200025704644 [1,0,0,0,0,0|0,0,1]=2 243 B9R1.8 [13CH3]NCc1cccnn1 2230a_100159270163_200025704644 [1,0,0,0,0,0|2,0,1]=4 244 B9R1.8 [13CH3]NCc1cncnc1 2230a_100011243677_200025704644 [1,0,0,0,0,0|2,0,1]=4 245 B9R1.8 [13CH3]OCc1ccccc1 34a_100000210790_200025704644 [1,0,0,0,0,0|1,0,1]=3 246 B9R1.8 [13CH3]OCc1ccccc1 7a_100000210790_200025704644 [1,0,0,0,0,0|1,0,1]=3 247 B9R1.8 [13CH3]SCc1ccccc1 62a_100000211182_200025704644 [1,0,0,0,0,0|1,0,1]=3 248 B9R1.8 [13CH3]SCc1ccccc1 62a_200025704644_100015291786 [1,0,0,0,0,0|1,0,1]=3 249 B9R1.8 [13CH3]SCc1ccccn1 62a_100000721315_200025704644 [1,0,0,0,0,0|2,0,1]=4 250 B9R1.8 [13CH3]SCc1ccccn1 62a_200025704644_100000721315 [1,0,0,0,0,0|2,0,1]=4 251 B9R1.8 [13CH3]SCc1cccnc1 62a_100000741622_200025704644 [1,0,0,0,0,0|2,0,1]=4 252 B9R1.8 [13CH3]SCc1cccnc1 62a_200025704644_100000741622 [1,0,0,0,0,0|2,0,1]=4 253 B9R1.8 [13CH3]SCc1ccncc1 62a_100015193705_200025704644 [1,0,0,0,0,0|2,0,1]=4 254 B9R1.8 [13CH3]SCc1ccncc1 62a_200025704644_100015193705 [1,0,0,0,0,0|2,0,1]=4 255 B11R1.1 C=CCNc1ccc(cc1)Br 2230a_100000210018_100000210623 [0,1,0,0,0,0|3,0,0]=4 256 B11R1.1 C=CCNc1ccc(cc1)Br 34a_100000210018_100015514636 [0,1,0,0,0,0|3,0,0]=4 257 B11R1.1 C=CCNc1ccc(cc1)C 34a_100000124888_100015514636 [0,1,0,0,0,0|3,0,0]=4 258 B11R1.1 C=CCNc1ccc(cc1)Cl 2230a_100000210052_100000210623 [0,1,0,0,0,0|3,0,0]=4 259 B11R1.1 C=CCNc1ccc(cc1)Cl 34a_100000210052_100015514636 [0,1,0,0,0,0|3,0,0]=4 260 B11R1.1 C=CCNc1ccc(cc1)F 34a_100000185862_100015514636 [0,1,0,0,0,0|3,0,0]=4 261 B11R1.1 C=CCNc1ccc(cc1)I 34a_100000185761_100015514636 [0,1,0,0,0,0|3,0,0]=4 262 B11R1.1 C=CCNc1ccc(cc1)O 34a_100000185829_100015514636 [0,1,0,0,0,0|3,0,0]=4 263 B11R1.1 C=CCOc1ccc(cc1)Br 34a_100000185759_100015514636 [0,1,0,0,0,0|3,0,0]=4 264 B11R1.1 C=CCOc1ccc(cc1)Br 7a_100000185759_100015514636 [0,1,0,0,0,0|3,0,0]=4 265 B11R1.1 C=CCOc1ccc(cc1)C 34a_100000210336_100015514636 [0,1,0,0,0,0|3,0,0]=4 266 B11R1.1 C=CCOc1ccc(cc1)C 7a_100000210336_100015514636 [0,1,0,0,0,0|3,0,0]=4 267 B11R1.1 C=CCOc1ccc(cc1)Cl 34a_100000210216_100015514636 [0,1,0,0,0,0|3,0,0]=4 268 B11R1.1 C=CCOc1ccc(cc1)Cl 7a_100000210216_100015514636 [0,1,0,0,0,0|3,0,0]=4 269 B11R1.1 C=CCOc1ccc(cc1)F 34a_100000210339_100015514636 [0,1,0,0,0,0|3,0,0]=4 270 B11R1.1 C=CCOc1ccc(cc1)I 34a_100000212066_100015514636 [0,1,0,0,0,0|3,0,0]=4 271 B11R1.1 C=CCOc1ccc(cc1)I 7a_100000212066_100015514636 [0,1,0,0,0,0|3,0,0]=4 272 B11R1.1 C=CCOc1ccc(cc1)N 34a_100000185829_100015514636 [0,1,0,0,0,0|3,0,0]=4 273 B11R1.1 C=CCOc1ccc(cc1)O 271570a_203496583355_100000172055 [0,1,0,0,0,0|3,0,0]=4 274 B11R1.1 C=CCSc1ccc(cc1)Br 62a_100000210623_100000752885 [0,1,0,0,0,0|3,0,0]=4 275 B11R1.1 C=CCSc1ccc(cc1)Br 62a_100000752885_100000210623 [0,1,0,0,0,0|3,0,0]=4 276 B11R1.1 C=CCSc1ccc(cc1)C 62a_100000186775_100000210623 [0,1,0,0,0,0|3,0,0]=4 277 B11R1.1 C=CCSc1ccc(cc1)C 62a_100000210623_100000186775 [0,1,0,0,0,0|3,0,0]=4 278 B11R1.1 C=CCSc1ccc(cc1)Cl 62a_100000210623_100000755918 [0,1,0,0,0,0|3,0,0]=4 279 B11R1.1 C=CCSc1ccc(cc1)Cl 62a_100000755918_100000210623 [0,1,0,0,0,0|3,0,0]=4 280 B11R1.1 C=CCSc1ccc(cc1)F 62a_100000210623_100000211213 [0,1,0,0,0,0|3,0,0]=4 281 B11R1.1 C=CCSc1ccc(cc1)F 62a_100000211213_100000210623 [0,1,0,0,0,0|3,0,0]=4 282 B11R1.1 C=CCSc1ccc(cc1)N 62a_100000185761_100000210623 [0,1,0,0,0,0|3,0,0]=4 283 B11R1.1 C=CCSc1ccc(cc1)N 62a_100000210623_100000185761 [0,1,0,0,0,0|3,0,0]=4 284 B11R1.1 C=CCSc1ccc(cc1)O 62a_100000210623_100000185759 [0,1,0,0,0,0|3,0,0]=4 285 B11R1.1 CC=NNc1ccc(cc1)Br 4a_100000735608_200000210099 [0,1,0,0,0,0|2,0,1]=4 286 B11R1.1 CC=NNc1ccc(cc1)C 4a_100000683527_200000210099 [0,1,0,0,0,0|2,0,1]=4 287 B11R1.1 CC=NNc1ccc(cc1)Cl 4a_100000683521_200000210099 [0,1,0,0,0,0|2,0,1]=4 288 B11R1.1 CC=NNc1ccc(cc1)F 4a_100000728448_200000210099 [0,1,0,0,0,0|2,0,1]=4 289 B11R1.1 CC=NNc1ccc(cc1)I 4a_100016988836_200000210099 [0,1,0,0,0,0|2,0,1]=4 290 B11R1.1 CCCCc1ccc(cc1)Br 271570a_100020621405_100000752885 [0,1,0,0,0,0|2,0,1]=4 291 B11R1.1 CCCCc1ccc(cc1)C 271570a_100020621405_100000186775 [0,1,0,0,0,0|2,0,1]=4 292 B11R1.1 CCCCc1ccc(cc1)Cl 271570a_100020621405_100000755918 [0,1,0,0,0,0|2,0,1]=4 293 B11R1.1 CCCCc1ccc(cc1)F 271570a_100020621405_100000211213 [0,1,0,0,0,0|2,0,1]=4 294 B11R1.1 CCCCc1ccc(cc1)N 271570a_100020621405_100000185761 [0,1,0,0,0,0|2,0,1]=4 295 B11R1.1 CCCCc1ccc(cc1)O 271570a_100020621405_100000185759 [0,1,0,0,0,0|2,0,1]=4 296 B11R1.1 CCCCc1ccc(cc1)O 271570a_203496583355_100011215597 [0,1,0,0,0,0|2,0,1]=4 297 B11R1.1 CCNCc1ccc(cc1)Br 207a_100015525214_100000186029 [0,1,0,0,0,0|1,0,1]=3 298 B11R1.1 CCNCc1ccc(cc1)Br 2230a_100000174875_100000210202 [0,1,0,0,0,0|1,0,1]=3 299 B11R1.1 CCNCc1ccc(cc1)Br 2230a_100015525214_100011217064 [0,1,0,0,0,0|1,0,1]=3 300 B11R1.1 CCNCc1ccc(cc1)Br 270004a_100015525214_100000186029 [0,1,0,0,0,0|1,0,1]=3 301 B11R1.1 CCNCc1ccc(cc1)Br 34a_100000174875_100000210202 [0,1,0,0,0,0|1,0,1]=3 302 B11R1.1 CCNCc1ccc(cc1)C 207a_100015525214_100000211033 [0,1,0,0,0,0|1,0,1]=3 303 B11R1.1 CCNCc1ccc(cc1)C 2230a_100000174908_100000210202 [0,1,0,0,0,0|1,0,1]=3 304 B11R1.1 CCNCc1ccc(cc1)C 2230a_100015525214_100000210814 [0,1,0,0,0,0|1,0,1]=3 305 B11R1.1 CCNCc1ccc(cc1)C 270004a_100015525214_100000211033 [0,1,0,0,0,0|1,0,1]=3 306 B11R1.1 CCNCc1ccc(cc1)C 34a_100000174908_100000210202 [0,1,0,0,0,0|1,0,1]=3 307 B11R1.1 CCNCc1ccc(cc1)Cl 207a_100015525214_100000189385 [0,1,0,0,0,0|1,0,1]=3 308 B11R1.1 CCNCc1ccc(cc1)Cl 2230a_100000174871_100000210202 [0,1,0,0,0,0|1,0,1]=3 309 B11R1.1 CCNCc1ccc(cc1)Cl 2230a_100015525214_100000694040 [0,1,0,0,0,0|1,0,1]=3 310 B11R1.1 CCNCc1ccc(cc1)Cl 270004a_100015525214_100000189385 [0,1,0,0,0,0|1,0,1]=3 311 B11R1.1 CCNCc1ccc(cc1)Cl 34a_100000174871_100000210202 [0,1,0,0,0,0|1,0,1]=3 312 B11R1.1 CCNCc1ccc(cc1)F 207a_100015525214_100000210084 [0,1,0,0,0,0|1,0,1]=3 313 B11R1.1 CCNCc1ccc(cc1)F 2230a_100000174882_100000210202 [0,1,0,0,0,0|1,0,1]=3 314 B11R1.1 CCNCc1ccc(cc1)F 2230a_100015525214_100000198546 [0,1,0,0,0,0|1,0,1]=3 315 B11R1.1 CCNCc1ccc(cc1)F 270004a_100015525214_100000210084 [0,1,0,0,0,0|1,0,1]=3 316 B11R1.1 CCNCc1ccc(cc1)F 34a_100000174882_100000210202 [0,1,0,0,0,0|1,0,1]=3 317 B11R1.1 CCNCc1ccc(cc1)I 207a_100015525214_100000188517 [0,1,0,0,0,0|1,0,1]=3 318 B11R1.1 CCNCc1ccc(cc1)I 2230a_100015525214_100000189116 [0,1,0,0,0,0|1,0,1]=3 319 B11R1.1 CCNCc1ccc(cc1)I 2230a_100016989417_100000210202 [0,1,0,0,0,0|1,0,1]=3 320 B11R1.1 CCNCc1ccc(cc1)I 34a_100016989417_100000210202 [0,1,0,0,0,0|1,0,1]=3 321 B11R1.1 CCNCc1ccc(cc1)O 271570a_203496583355_100000187385 [0,1,0,0,0,0|1,0,1]=3 322 B11R1.1 CCNCc1ccc(cc1)O 34a_100000185549_100000210202 [0,1,0,0,0,0|1,0,1]=3 323 B11R1.1 CCNCc1ccc(cn1)Br 207a_100015525214_100000754260 [0,1,0,0,0,0|2,0,1]=4 324 B11R1.1 CCNCc1ccc(cn1)Br 2230a_100015525214_100000702658 [0,1,0,0,0,0|2,0,1]=4 325 B11R1.1 CCNCc1ccc(cn1)Br 270004a_100015525214_100000754260 [0,1,0,0,0,0|2,0,1]=4 326 B11R1.1 CCNCc1ccc(cn1)Br 34a_100015188789_100000210202 [0,1,0,0,0,0|2,0,1]=4 327 B11R1.1 CCNCc1ccc(cn1)C 207a_100015525214_100000050478 [0,1,0,0,0,0|2,0,1]=4 328 B11R1.1 CCNCc1ccc(cn1)C 2230a_100015525214_100000691093 [0,1,0,0,0,0|2,0,1]=4 329 B11R1.1 CCNCc1ccc(cn1)C 270004a_100015525214_100000050478 [0,1,0,0,0,0|2,0,1]=4 330 B11R1.1 CCNCc1ccc(cn1)C 34a_100015187455_100000210202 [0,1,0,0,0,0|2,0,1]=4 331 B11R1.1 CCNCc1ccc(cn1)Cl 207a_100015525214_100011361569 [0,1,0,0,0,0|2,0,1]=4 332 B11R1.1 CCNCc1ccc(cn1)Cl 2230a_100015525214_100012066911 [0,1,0,0,0,0|2,0,1]=4 333 B11R1.1 CCNCc1ccc(cn1)Cl 270004a_100015525214_100011361569 [0,1,0,0,0,0|2,0,1]=4 334 B11R1.1 CCNCc1ccc(cn1)Cl 34a_100000697193_100000210202 [0,1,0,0,0,0|2,0,1]=4 335 B11R1.1 CCNCc1ccc(cn1)F 207a_100015525214_100011934744 [0,1,0,0,0,0|2,0,1]=4 336 B11R1.1 CCNCc1ccc(cn1)F 2230a_100015525214_100000703193 [0,1,0,0,0,0|2,0,1]=4 337 B11R1.1 CCNCc1ccc(cn1)F 270004a_100015525214_100011934744 [0,1,0,0,0,0|2,0,1]=4 338 B11R1.1 CCNCc1ccc(cn1)F 34a_100020620131_100000210202 [0,1,0,0,0,0|2,0,1]=4 339 B11R1.1 CCNCc1ccc(nc1)Br 2230a_100009817727_100000210202 [0,1,0,0,0,0|2,0,1]=4 340 B11R1.1 CCNCc1ccc(nc1)Br 2230a_100015525214_100009831999 [0,1,0,0,0,0|2,0,1]=4 341 B11R1.1 CCNCc1ccc(nc1)Br 34a_100009817727_100000210202 [0,1,0,0,0,0|2,0,1]=4 342 B11R1.1 CCNCc1ccc(nc1)C 2230a_100015525214_100016987292 [0,1,0,0,0,0|2,0,1]=4 343 B11R1.1 CCNCc1ccc(nc1)C 270004a_100015525214_100000743784 [0,1,0,0,0,0|2,0,1]=4 344 B11R1.1 CCNCc1ccc(nc1)C 34a_100000740942_100000210202 [0,1,0,0,0,0|2,0,1]=4 345 B11R1.1 CCNCc1ccc(nc1)Cl 2230a_100000735879_100000210202 [0,1,0,0,0,0|2,0,1]=4 346 B11R1.1 CCNCc1ccc(nc1)Cl 2230a_100015525214_100000735431 [0,1,0,0,0,0|2,0,1]=4 347 B11R1.1 CCNCc1ccc(nc1)Cl 34a_100000735879_100000210202 [0,1,0,0,0,0|2,0,1]=4 348 B11R1.1 CCNCc1ccc(nc1)F 2230a_100000101913_100000210202 [0,1,0,0,0,0|2,0,1]=4 349 B11R1.1 CCNCc1ccc(nc1)F 2230a_100015525214_100009820150 [0,1,0,0,0,0|2,0,1]=4 350 B11R1.1 CCNCc1ccc(nc1)F 34a_100000101913_100000210202 [0,1,0,0,0,0|2,0,1]=4 351 B11R1.1 CCNCc1ccc(nc1)O 207a_100015525214_100011361521 [0,1,0,0,0,0|2,0,1]=4 352 B11R1.1 CCNCc1ccc(nc1)O 2230a_100000757128_100000210202 [0,1,0,0,0,0|2,0,1]=4 353 B11R1.1 CCOCc1ccc(cc1)Br 34a_100000695286_100000210202 [0,1,0,0,0,0|2,0,1]=4 354 B11R1.1 CCOCc1ccc(cc1)Br 34a_100121572206_100000189115 [0,1,0,0,0,0|2,0,1]=4 355 B11R1.1 CCOCc1ccc(cc1)C 34a_100011215236_100000210202 [0,1,0,0,0,0|2,0,1]=4 356 B11R1.1 CCOCc1ccc(cc1)C 34a_100121572206_100000210814 [0,1,0,0,0,0|2,0,1]=4 357 B11R1.1 CCOCc1ccc(cc1)C 7a_100011215236_100000210202 [0,1,0,0,0,0|2,0,1]=4 358 B11R1.1 CCOCc1ccc(cc1)Cl 34a_100000211118_100000210202 [0,1,0,0,0,0|2,0,1]=4 359 B11R1.1 CCOCc1ccc(cc1)Cl 34a_100121572206_100000694040 [0,1,0,0,0,0|2,0,1]=4 360 B11R1.1 CCOCc1ccc(cc1)Cl 7a_100000211118_100000210202 [0,1,0,0,0,0|2,0,1]=4 361 B11R1.1 CCOCc1ccc(cc1)F 34a_100000210977_100000210202 [0,1,0,0,0,0|2,0,1]=4 362 B11R1.1 CCOCc1ccc(cc1)F 34a_100121572206_100000198546 [0,1,0,0,0,0|2,0,1]=4 363 B11R1.1 CCOCc1ccc(cc1)F 7a_100000210977_100000210202 [0,1,0,0,0,0|2,0,1]=4 364 B11R1.1 CCOCc1ccc(cc1)I 34a_100000690907_100000210202 [0,1,0,0,0,0|2,0,1]=4 365 B11R1.1 CCOCc1ccc(cc1)I 34a_100121572206_100000189116 [0,1,0,0,0,0|2,0,1]=4 366 B11R1.1 CCOCc1ccc(cc1)I 7a_100000690907_100000210202 [0,1,0,0,0,0|2,0,1]=4 367 B11R1.1 CCOCc1ccc(cc1)N 34a_100011215238_100000210202 [0,1,0,0,0,0|2,0,1]=4 368 B11R1.1 CCOCc1ccc(cc1)O 271570a_203496583355_100000758564 [0,1,0,0,0,0|2,0,1]=4 369 B11R1.1 CCSCc1ccc(cc1)Br 62a_100000189115_100000210202 [0,1,0,0,0,0|2,0,1]=4 370 B11R1.1 CCSCc1ccc(cc1)Br 62a_100000210202_100000189115 [0,1,0,0,0,0|2,0,1]=4 371 B11R1.1 CCSCc1ccc(cc1)C 62a_100000210202_100000210814 [0,1,0,0,0,0|2,0,1]=4 372 B11R1.1 CCSCc1ccc(cc1)C 62a_100000210814_100000210202 [0,1,0,0,0,0|2,0,1]=4 373 B11R1.1 CCSCc1ccc(cc1)Cl 62a_100000187161_100000210202 [0,1,0,0,0,0|2,0,1]=4 374 B11R1.1 CCSCc1ccc(cc1)Cl 62a_100000210202_100000187161 [0,1,0,0,0,0|2,0,1]=4 375 B11R1.1 CCSCc1ccc(cc1)F 62a_100000198546_100000210202 [0,1,0,0,0,0|2,0,1]=4 376 B11R1.1 CCSCc1ccc(cc1)F 62a_100000210202_100000187164 [0,1,0,0,0,0|2,0,1]=4 377 B11R1.1 CCSCc1ccc(cc1)I 62a_100000189116_100000210202 [0,1,0,0,0,0|2,0,1]=4 378 B11R1.1 CCSCc1ccc(cc1)I 62a_100000210202_100000189116 [0,1,0,0,0,0|2,0,1]=4 379 B11R1.1 CNCCc1ccc(cc1)Br 2230a_100000755846_200000210301 [0,1,0,0,0,0|3,0,0]=4 380 B11R1.1 CNCCc1ccc(cc1)Br 2230a_106832991635_100011740612 [0,1,0,0,0,0|3,0,0]=4 381 B11R1.1 CNCCc1ccc(cc1)Br 34a_100000755846_200000210301 [0,1,0,0,0,0|3,0,0]=4 382 B11R1.1 CNCCc1ccc(cc1)Br 34a_100102657272_100011740612 [0,1,0,0,0,0|3,0,0]=4 383 B11R1.1 CNCCc1ccc(cc1)Br 7a_106832991635_100011740612 [0,1,0,0,0,0|3,0,0]=4 384 B11R1.1 CNCCc1ccc(cc1)C 2230a_100000705350_200000210301 [0,1,0,0,0,0|3,0,0]=4 385 B11R1.1 CNCCc1ccc(cc1)C 2230a_106832991635_100011713686 [0,1,0,0,0,0|3,0,0]=4 386 B11R1.1 CNCCc1ccc(cc1)C 34a_100000705350_200000210301 [0,1,0,0,0,0|3,0,0]=4 387 B11R1.1 CNCCc1ccc(cc1)C 34a_100102657272_100011713686 [0,1,0,0,0,0|3,0,0]=4 388 B11R1.1 CNCCc1ccc(cc1)C 7a_106832991635_100011713686 [0,1,0,0,0,0|3,0,0]=4 389 B11R1.1 CNCCc1ccc(cc1)Cl 2230a_100000185265_200000210301 [0,1,0,0,0,0|3,0,0]=4 390 B11R1.1 CNCCc1ccc(cc1)Cl 2230a_106832991635_100011713675 [0,1,0,0,0,0|3,0,0]=4 391 B11R1.1 CNCCc1ccc(cc1)Cl 34a_100000185265_200000210301 [0,1,0,0,0,0|3,0,0]=4 392 B11R1.1 CNCCc1ccc(cc1)Cl 34a_100102657272_100011713675 [0,1,0,0,0,0|3,0,0]=4 393 B11R1.1 CNCCc1ccc(cc1)Cl 7a_106832991635_100011713675 [0,1,0,0,0,0|3,0,0]=4 394 B11R1.1 CNCCc1ccc(cc1)F 2230a_100000199005_200000210301 [0,1,0,0,0,0|3,0,0]=4 395 B11R1.1 CNCCc1ccc(cc1)F 2230a_106832991635_100011217392 [0,1,0,0,0,0|3,0,0]=4 396 B11R1.1 CNCCc1ccc(cc1)F 34a_100000199005_200000210301 [0,1,0,0,0,0|3,0,0]=4 397 B11R1.1 CNCCc1ccc(cc1)F 34a_100102657272_100011217392 [0,1,0,0,0,0|3,0,0]=4 398 B11R1.1 CNCCc1ccc(cc1)F 7a_106832991635_100011217392 [0,1,0,0,0,0|3,0,0]=4 399 B11R1.1 CNCCc1ccc(cc1)O 2230a_106832991635_100009816426 [0,1,0,0,0,0|3,0,0]=4 400 B11R1.1 CNCCc1ccc(cc1)O 271570a_203496583355_100000752880 [0,1,0,0,0,0|3,0,0]=4 401 B11R1.1 CNCCc1ccc(cc1)O 34a_100000743037_200000210301 [0,1,0,0,0,0|3,0,0]=4 402 B11R1.1 CNCCc1ccc(cc1)O 7a_106832991635_100009816426 [0,1,0,0,0,0|3,0,0]=4 403 B11R1.1 COCCc1ccc(cc1)Br 34a_100000766406_200000210301 [0,1,0,0,0,0|3,0,0]=4 404 B11R1.1 COCCc1ccc(cc1)Br 34a_100138415774_100011740612 [0,1,0,0,0,0|3,0,0]=4 405 B11R1.1 COCCc1ccc(cc1)Br 7a_100000766406_200000210301 [0,1,0,0,0,0|3,0,0]=4 406 B11R1.1 COCCc1ccc(cc1)C 34a_100000756670_200000210301 [0,1,0,0,0,0|3,0,0]=4 407 B11R1.1 COCCc1ccc(cc1)C 34a_100138415774_100011713686 [0,1,0,0,0,0|3,0,0]=4 408 B11R1.1 COCCc1ccc(cc1)C 7a_100000756670_200000210301 [0,1,0,0,0,0|3,0,0]=4 409 B11R1.1 COCCc1ccc(cc1)Cl 34a_100011219627_200000210301 [0,1,0,0,0,0|3,0,0]=4 410 B11R1.1 COCCc1ccc(cc1)Cl 34a_100138415774_100011713675 [0,1,0,0,0,0|3,0,0]=4 411 B11R1.1 COCCc1ccc(cc1)Cl 7a_100011219627_200000210301 [0,1,0,0,0,0|3,0,0]=4 412 B11R1.1 COCCc1ccc(cc1)F 34a_100000754732_200000210301 [0,1,0,0,0,0|3,0,0]=4 413 B11R1.1 COCCc1ccc(cc1)F 34a_100138415774_100011217392 [0,1,0,0,0,0|3,0,0]=4 414 B11R1.1 COCCc1ccc(cc1)F 7a_100000754732_200000210301 [0,1,0,0,0,0|3,0,0]=4 415 B11R1.1 COCCc1ccc(cc1)I 34a_100012291149_200000210301 [0,1,0,0,0,0|3,0,0]=4 416 B11R1.1 COCCc1ccc(cc1)I 7a_100012291149_200000210301 [0,1,0,0,0,0|3,0,0]=4 417 B11R1.1 COCCc1ccc(cc1)N 34a_100011204434_200000210301 [0,1,0,0,0,0|3,0,0]=4 418 B11R1.1 COCCc1ccc(cc1)O 271570a_203496583355_100000739703 [0,1,0,0,0,0|3,0,0]=4 419 B11R1.1 CSCCc1ccc(cc1)Br 62a_100011740612_200000210301 [0,1,0,0,0,0|3,0,0]=4 420 B11R1.1 CSCCc1ccc(cc1)Br 62a_200000210301_100011740612 [0,1,0,0,0,0|3,0,0]=4 421 B11R1.1 CSCCc1ccc(cc1)C 62a_100011713686_200000210301 [0,1,0,0,0,0|3,0,0]=4 422 B11R1.1 CSCCc1ccc(cc1)C 62a_200000210301_100011713686 [0,1,0,0,0,0|3,0,0]=4 423 B11R1.1 CSCCc1ccc(cc1)Cl 62a_100011713675_200000210301 [0,1,0,0,0,0|3,0,0]=4 424 B11R1.1 CSCCc1ccc(cc1)Cl 62a_200000210301_100011713675 [0,1,0,0,0,0|3,0,0]=4 425 B11R1.1 CSCCc1ccc(cc1)F 62a_100011217392_200000210301 [0,1,0,0,0,0|3,0,0]=4 426 B11R1.1 CSCCc1ccc(cc1)F 62a_200000210301_100011217392 [0,1,0,0,0,0|3,0,0]=4 427 B11R1.1 CSCCc1ccc(cc1)O 62a_100009816426_200000210301 [0,1,0,0,0,0|3,0,0]=4 428 B11R1.1 CSCCc1ccc(cc1)O 62a_200000210301_100009816426 [0,1,0,0,0,0|3,0,0]=4 429 B11R1.1 Cc1ccc(cc1)CCN[13CH3] 2230a_100000705350_200025704644 [0,1,0,0,0,0|3,0,0]=4 430 B11R1.1 Cc1ccc(cc1)CCN[13CH3] 34a_100000705350_200025704644 [0,1,0,0,0,0|3,0,0]=4 431 B11R1.1 Cc1ccc(cc1)CCO[13CH3] 34a_100000756670_200025704644 [0,1,0,0,0,0|3,0,0]=4 432 B11R1.1 Cc1ccc(cc1)CCO[13CH3] 7a_100000756670_200025704644 [0,1,0,0,0,0|3,0,0]=4 433 B11R1.1 Cc1ccc(cc1)CCS[13CH3] 62a_100011713686_200025704644 [0,1,0,0,0,0|3,0,0]=4 434 B11R1.1 Cc1ccc(cc1)CCS[13CH3] 62a_200025704644_100011713686 [0,1,0,0,0,0|3,0,0]=4 435 B11R1.1 Cc1ccc(cc1)CNCF 34a_100000174908_100015361967 [0,1,0,0,0,0|1,0,1]=3 436 B11R1.1 Cc1ccc(cc1)COCF 34a_100011215236_100015361967 [0,1,0,0,0,0|2,0,1]=4 437 B11R1.1 Cc1ccc(cc1)COCF 7a_100011215236_100015361967 [0,1,0,0,0,0|2,0,1]=4 438 B11R1.1 Cc1ccc(cc1)CSCF 62a_100000210814_100015361967 [0,1,0,0,0,0|2,0,1]=4 439 B11R1.1 Cc1ccc(cc1)CSCF 62a_100015361967_100000210814 [0,1,0,0,0,0|2,0,1]=4 440 B11R1.1 Cc1ccc(cc1)NCC=O 34a_100000124888_200009817547 [0,1,0,0,0,0|2,0,0]=3 441 B11R1.1 Cc1ccc(cc1)OCC=O 34a_100000210336_200009817547 [0,1,0,0,0,0|2,0,0]=3 442 B11R1.1 Cc1ccc(cc1)OCC=O 7a_100000210336_200015260668 [0,1,0,0,0,0|2,0,0]=3 443 B11R1.1 Cc1ccc(cc1)SCC=O 62a_100000186775_200015260668 [0,1,0,0,0,0|2,0,0]=3 444 B11R1.1 Cc1ccc(cc1)SCC=O 62a_200015260668_100000186775 [0,1,0,0,0,0|2,0,0]=3 445 B11R1.1 Cc1ccc(cn1)CNCF 34a_100000740942_100015361967 [0,1,0,0,0,0|2,0,1]=4 446 B11R1.1 Cc1ccc(cn1)OCC=O 34a_100000745506_200009817547 [0,1,0,0,0,0|3,0,0]=4 447 B11R1.1 Cc1ccc(cn1)OCC=O 7a_100000745506_200015260668 [0,1,0,0,0,0|3,0,0]=4 448 B11R1.1 Cc1ccc(cn1)SCC=O 62a_100000751577_200015260668 [0,1,0,0,0,0|3,0,0]=4 449 B11R1.1 Cc1ccc(cn1)SCC=O 62a_200015260668_100000751577 [0,1,0,0,0,0|3,0,0]=4 450 B11R1.1 Cc1ccc(nc1)CNCF 34a_100015187455_100015361967 [0,1,0,0,0,0|2,0,1]=4 451 B11R1.1 Cc1ccc(nc1)OCC=O 34a_100000759353_200009817547 [0,1,0,0,0,0|3,0,0]=4 452 B11R1.1 Cc1ccc(nc1)SCC=O 62a_100011192072_200015260668 [0,1,0,0,0,0|3,0,0]=4 453 B11R1.1 Cc1ccc(nc1)SCC=O 62a_200015260668_100000754016 [0,1,0,0,0,0|3,0,0]=4 454 B11R1.1 FCNCc1ccc(cc1)Br 34a_100000174875_100015361967 [0,1,0,0,0,0|1,0,1]=3 455 B11R1.1 FCNCc1ccc(cc1)Cl 34a_100000174871_100015361967 [0,1,0,0,0,0|1,0,1]=3 456 B11R1.1 FCNCc1ccc(cc1)F 34a_100000174882_100015361967 [0,1,0,0,0,0|1,0,1]=3 457 B11R1.1 FCNCc1ccc(cc1)I 34a_100016989417_100015361967 [0,1,0,0,0,0|1,0,1]=3 458 B11R1.1 FCNCc1ccc(cn1)Br 34a_100015188789_100015361967 [0,1,0,0,0,0|2,0,1]=4 459 B11R1.1 FCNCc1ccc(cn1)Cl 34a_100000697193_100015361967 [0,1,0,0,0,0|2,0,1]=4 460 B11R1.1 FCNCc1ccc(cn1)F 34a_100020620131_100015361967 [0,1,0,0,0,0|2,0,1]=4 461 B11R1.1 FCNCc1ccc(nc1)Br 34a_100009817727_100015361967 [0,1,0,0,0,0|2,0,1]=4 462 B11R1.1 FCNCc1ccc(nc1)Cl 34a_100000735879_100015361967 [0,1,0,0,0,0|2,0,1]=4 463 B11R1.1 FCNCc1ccc(nc1)F 34a_100000101913_100015361967 [0,1,0,0,0,0|2,0,1]=4 464 B11R1.1 FCOCc1ccc(cc1)Br 34a_100000695286_100015361967 [0,1,0,0,0,0|2,0,1]=4 465 B11R1.1 FCOCc1ccc(cc1)Cl 34a_100000211118_100015361967 [0,1,0,0,0,0|2,0,1]=4 466 B11R1.1 FCOCc1ccc(cc1)Cl 7a_100000211118_100015361967 [0,1,0,0,0,0|2,0,1]=4 467 B11R1.1 FCOCc1ccc(cc1)F 34a_100000210977_100015361967 [0,1,0,0,0,0|2,0,1]=4 468 B11R1.1 FCOCc1ccc(cc1)F 7a_100000210977_100015361967 [0,1,0,0,0,0|2,0,1]=4 469 B11R1.1 FCOCc1ccc(cc1)I 34a_100000690907_100015361967 [0,1,0,0,0,0|2,0,1]=4 470 B11R1.1 FCOCc1ccc(cc1)I 7a_100000690907_100015361967 [0,1,0,0,0,0|2,0,1]=4 471 B11R1.1 FCSCc1ccc(cc1)Br 62a_100000189115_100015361967 [0,1,0,0,0,0|2,0,1]=4 472 B11R1.1 FCSCc1ccc(cc1)Br 62a_100015361967_100000189115 [0,1,0,0,0,0|2,0,1]=4 473 B11R1.1 FCSCc1ccc(cc1)Cl 62a_100000187161_100015361967 [0,1,0,0,0,0|2,0,1]=4 474 B11R1.1 FCSCc1ccc(cc1)Cl 62a_100015361967_100000187161 [0,1,0,0,0,0|2,0,1]=4 475 B11R1.1 FCSCc1ccc(cc1)F 62a_100000198546_100015361967 [0,1,0,0,0,0|2,0,1]=4 476 B11R1.1 FCSCc1ccc(cc1)F 62a_100015361967_100000187164 [0,1,0,0,0,0|2,0,1]=4 477 B11R1.1 FCSCc1ccc(cc1)I 62a_100000189116_100015361967 [0,1,0,0,0,0|2,0,1]=4 478 B11R1.1 FCSCc1ccc(cc1)I 62a_100015361967_100000189116 [0,1,0,0,0,0|2,0,1]=4 479 B11R1.1 N#CCCc1ccc(cc1)O 271570a_203496583355_100011216407 [0,1,0,0,0,0|2,0,1]=4 480 B11R1.1 N#CSCc1ccc(cc1)O 271570a_203496583355_200010141448 [0,1,0,0,0,0|2,0,1]=4 481 B11R1.1 NCCCc1ccc(cc1)O 271570a_203496583355_100011297623 [0,1,0,0,0,0|2,0,1]=4 482 B11R1.1 Nc1ccc(cc1)COCF 34a_100011215238_100015361967 [0,1,0,0,0,0|2,0,1]=4 483 B11R1.1 Nc1ccc(cc1)OCC=O 34a_100000185829_200009817547 [0,1,0,0,0,0|2,0,0]=3 484 B11R1.1 Nc1ccc(cc1)SCC=O 62a_100000185761_200015260668 [0,1,0,0,0,0|2,0,0]=3 485 B11R1.1 Nc1ccc(cc1)SCC=O 62a_200015260668_100000185761 [0,1,0,0,0,0|2,0,0]=3 486 B11R1.1 Nc1ccc(cn1)OCC=O 34a_100015188713_200009817547 [0,1,0,0,0,0|3,0,0]=4 487 B11R1.1 Nc1ccc(cn1)OCC=O 7a_100015188713_200015260668 [0,1,0,0,0,0|3,0,0]=4 488 B11R1.1 Nc1ccc(cn1)SCC=O 62a_100000187370_200015260668 [0,1,0,0,0,0|3,0,0]=4 489 B11R1.1 Nc1ccc(cn1)SCC=O 62a_200015260668_100000187370 [0,1,0,0,0,0|3,0,0]=4 490 B11R1.1 Nc1ccc(nc1)OCC=O 34a_100000729260_200009817547 [0,1,0,0,0,0|3,0,0]=4 491 B11R1.1 Nc1ccc(nc1)SCC=O 62a_100000737798_200015260668 [0,1,0,0,0,0|3,0,0]=4 492 B11R1.1 Nc1ccc(nc1)SCC=O 62a_200015260668_100000737798 [0,1,0,0,0,0|3,0,0]=4 493 B11R1.1 O=CCCc1ccc(cc1)O 271570a_203496583355_100011361538 [0,1,0,0,0,0|1,0,0]=2 494 B11R1.1 O=CCNc1ccc(cc1)Br 2230a_100000210018_200015260668 [0,1,0,0,0,0|2,0,0]=3 495 B11R1.1 O=CCNc1ccc(cc1)Br 34a_100000210018_200009817547 [0,1,0,0,0,0|2,0,0]=3 496 B11R1.1 O=CCNc1ccc(cc1)Cl 2230a_100000210052_200015260668 [0,1,0,0,0,0|2,0,0]=3 497 B11R1.1 O=CCNc1ccc(cc1)Cl 34a_100000210052_200009817547 [0,1,0,0,0,0|2,0,0]=3 498 B11R1.1 O=CCNc1ccc(cc1)F 34a_100000185862_200009817547 [0,1,0,0,0,0|2,0,0]=3 499 B11R1.1 O=CCNc1ccc(cc1)I 34a_100000185761_200009817547 [0,1,0,0,0,0|2,0,0]=3 500 B11R1.1 O=CCNc1ccc(cc1)O 34a_100000185829_200009817547 [0,1,0,0,0,0|2,0,0]=3 501 B11R1.1 O=CCOc1ccc(=O)[nH]c1 34a_100000075641_200009817547 [0,1,0,0,0,0|3,0,0]=4 502 B11R1.1 O=CCOc1ccc(cc1)Br 34a_100000185759_200009817547 [0,1,0,0,0,0|2,0,0]=3 503 B11R1.1 O=CCOc1ccc(cc1)Br 7a_100000185759_200015260668 [0,1,0,0,0,0|2,0,0]=3 504 B11R1.1 O=CCOc1ccc(cc1)Cl 34a_100000210216_200009817547 [0,1,0,0,0,0|2,0,0]=3 505 B11R1.1 O=CCOc1ccc(cc1)Cl 7a_100000210216_200015260668 [0,1,0,0,0,0|2,0,0]=3 506 B11R1.1 O=CCOc1ccc(cc1)F 34a_100000210339_200009817547 [0,1,0,0,0,0|2,0,0]=3 507 B11R1.1 O=CCOc1ccc(cc1)I 34a_100000212066_200009817547 [0,1,0,0,0,0|2,0,0]=3 508 B11R1.1 O=CCOc1ccc(cc1)I 7a_100000212066_200015260668 [0,1,0,0,0,0|2,0,0]=3 509 B11R1.1 O=CCOc1ccc(cn1)Cl 34a_100011215309_200009817547 [0,1,0,0,0,0|3,0,0]=4 510 B11R1.1 O=CCOc1ccc(cn1)F 34a_100000742473_200009817547 [0,1,0,0,0,0|3,0,0]=4 511 B11R1.1 O=CCOc1ccc(nc1)Br 34a_100000685995_200009817547 [0,1,0,0,0,0|3,0,0]=4 512 B11R1.1 O=CCOc1ccc(nc1)Br 7a_100000685995_200015260668 [0,1,0,0,0,0|3,0,0]=4 513 B11R1.1 O=CCOc1ccc(nc1)Cl 34a_100000744096_200009817547 [0,1,0,0,0,0|3,0,0]=4 514 B11R1.1 O=CCOc1ccc(nc1)Cl 7a_100000744096_200015260668 [0,1,0,0,0,0|3,0,0]=4 515 B11R1.1 O=CCOc1ccc(nc1)F 34a_100000688820_200009817547 [0,1,0,0,0,0|3,0,0]=4 516 B11R1.1 O=CCOc1ccc(nc1)F 7a_100000688820_200015260668 [0,1,0,0,0,0|3,0,0]=4 517 B11R1.1 O=CCOc1ccc(nc1)I 34a_100000687607_200009817547 [0,1,0,0,0,0|3,0,0]=4 518 B11R1.1 O=CCOc1ccc(nc1)I 7a_100000687607_200015260668 [0,1,0,0,0,0|3,0,0]=4 519 B11R1.1 O=CCSc1cc[n+](cc1)[O-] 62a_200015260668_100000039755 [0,1,0,0,0,0|3,0,0]=4 520 B11R1.1 O=CCSc1ccc(=O)[nH]c1 62a_100000212171_200015260668 [0,1,0,0,0,0|3,0,0]=4 521 B11R1.1 O=CCSc1ccc(=O)[nH]c1 62a_200015260668_100000212171 [0,1,0,0,0,0|3,0,0]=4 522 B11R1.1 O=CCSc1ccc(cc1)Br 62a_100000752885_200015260668 [0,1,0,0,0,0|2,0,0]=3 523 B11R1.1 O=CCSc1ccc(cc1)Br 62a_200015260668_100000752885 [0,1,0,0,0,0|2,0,0]=3 524 B11R1.1 O=CCSc1ccc(cc1)Cl 62a_100000755918_200015260668 [0,1,0,0,0,0|2,0,0]=3 525 B11R1.1 O=CCSc1ccc(cc1)Cl 62a_200015260668_100000755918 [0,1,0,0,0,0|2,0,0]=3 526 B11R1.1 O=CCSc1ccc(cc1)F 62a_100000211213_200015260668 [0,1,0,0,0,0|2,0,0]=3 527 B11R1.1 O=CCSc1ccc(cc1)F 62a_200015260668_100000211213 [0,1,0,0,0,0|2,0,0]=3 528 B11R1.1 O=CCSc1ccc(cc1)O 62a_200015260668_100000185759 [0,1,0,0,0,0|2,0,0]=3 529 B11R1.1 O=CCSc1ccc(cn1)Br 62a_100000686858_200015260668 [0,1,0,0,0,0|3,0,0]=4 530 B11R1.1 O=CCSc1ccc(cn1)Br 62a_200015260668_100000686858 [0,1,0,0,0,0|3,0,0]=4 531 B11R1.1 O=CCSc1ccc(cn1)Cl 62a_100011356976_200015260668 [0,1,0,0,0,0|3,0,0]=4 532 B11R1.1 O=CCSc1ccc(cn1)Cl 62a_200015260668_100011356976 [0,1,0,0,0,0|3,0,0]=4 533 B11R1.1 O=CCSc1ccc(cn1)F 62a_100000744514_200015260668 [0,1,0,0,0,0|3,0,0]=4 534 B11R1.1 O=CCSc1ccc(cn1)F 62a_200015260668_100000744514 [0,1,0,0,0,0|3,0,0]=4 535 B11R1.1 O=CCSc1ccc(cn1)O 62a_100000685995_200015260668 [0,1,0,0,0,0|3,0,0]=4 536 B11R1.1 O=CCSc1ccc(cn1)O 62a_200015260668_100000744096 [0,1,0,0,0,0|3,0,0]=4 537 B11R1.1 O=CCSc1ccc(nc1)Br 62a_100009814638_200015260668 [0,1,0,0,0,0|3,0,0]=4 538 B11R1.1 O=CCSc1ccc(nc1)Br 62a_200015260668_100009814638 [0,1,0,0,0,0|3,0,0]=4 539 B11R1.1 O=CCSc1ccc(nc1)Cl 62a_100000034144_200015260668 [0,1,0,0,0,0|3,0,0]=4 540 B11R1.1 O=CCSc1ccc(nc1)Cl 62a_200015260668_100000034144 [0,1,0,0,0,0|3,0,0]=4 541 B11R1.1 O=CCSc1ccc(nc1)F 62a_100000042367_200015260668 [0,1,0,0,0,0|3,0,0]=4 542 B11R1.1 O=CCSc1ccc(nc1)F 62a_200015260668_100000042367 [0,1,0,0,0,0|3,0,0]=4 543 B11R1.1 OCCCc1ccc(cc1)O 271570a_203496583355_100011709247 [0,1,0,0,0,0|1,0,2]=4 544 B11R1.1 Oc1ccc(cc1)CNCF 34a_100000185549_100015361967 [0,1,0,0,0,0|1,0,1]=3 545 B11R1.1 [13CH3]NCCc1ccc(cc1)Br 2230a_100000755846_200025704644 [0,1,0,0,0,0|3,0,0]=4 546 B11R1.1 [13CH3]NCCc1ccc(cc1)Br 34a_100000755846_200025704644 [0,1,0,0,0,0|3,0,0]=4 547 B11R1.1 [13CH3]NCCc1ccc(cc1)Cl 2230a_100000185265_200025704644 [0,1,0,0,0,0|3,0,0]=4 548 B11R1.1 [13CH3]NCCc1ccc(cc1)Cl 34a_100000185265_200025704644 [0,1,0,0,0,0|3,0,0]=4 549 B11R1.1 [13CH3]NCCc1ccc(cc1)F 2230a_100000199005_200025704644 [0,1,0,0,0,0|3,0,0]=4 550 B11R1.1 [13CH3]NCCc1ccc(cc1)F 34a_100000199005_200025704644 [0,1,0,0,0,0|3,0,0]=4 551 B11R1.1 [13CH3]NCCc1ccc(cc1)O 34a_100000743037_200025704644 [0,1,0,0,0,0|3,0,0]=4 552 B11R1.1 [13CH3]OCCc1ccc(cc1)Br 34a_100000766406_200025704644 [0,1,0,0,0,0|3,0,0]=4 553 B11R1.1 [13CH3]OCCc1ccc(cc1)Br 7a_100000766406_200025704644 [0,1,0,0,0,0|3,0,0]=4 554 B11R1.1 [13CH3]OCCc1ccc(cc1)Cl 34a_100011219627_200025704644 [0,1,0,0,0,0|3,0,0]=4 555 B11R1.1 [13CH3]OCCc1ccc(cc1)Cl 7a_100011219627_200025704644 [0,1,0,0,0,0|3,0,0]=4 556 B11R1.1 [13CH3]OCCc1ccc(cc1)F 34a_100000754732_200025704644 [0,1,0,0,0,0|3,0,0]=4 557 B11R1.1 [13CH3]OCCc1ccc(cc1)F 7a_100000754732_200025704644 [0,1,0,0,0,0|3,0,0]=4 558 B11R1.1 [13CH3]OCCc1ccc(cc1)I 34a_100012291149_200025704644 [0,1,0,0,0,0|3,0,0]=4 559 B11R1.1 [13CH3]OCCc1ccc(cc1)I 7a_100012291149_200025704644 [0,1,0,0,0,0|3,0,0]=4 560 B11R1.1 [13CH3]OCCc1ccc(cc1)N 34a_100011204434_200025704644 [0,1,0,0,0,0|3,0,0]=4 561 B11R1.1 [13CH3]SCCc1ccc(cc1)Br 62a_100011740612_200025704644 [0,1,0,0,0,0|3,0,0]=4 562 B11R1.1 [13CH3]SCCc1ccc(cc1)Br 62a_200025704644_100011740612 [0,1,0,0,0,0|3,0,0]=4 563 B11R1.1 [13CH3]SCCc1ccc(cc1)Cl 62a_100011713675_200025704644 [0,1,0,0,0,0|3,0,0]=4 564 B11R1.1 [13CH3]SCCc1ccc(cc1)Cl 62a_200025704644_100011713675 [0,1,0,0,0,0|3,0,0]=4 565 B11R1.1 [13CH3]SCCc1ccc(cc1)F 62a_100011217392_200025704644 [0,1,0,0,0,0|3,0,0]=4 566 B11R1.1 [13CH3]SCCc1ccc(cc1)F 62a_200025704644_100011217392 [0,1,0,0,0,0|3,0,0]=4 567 B11R1.1 [13CH3]SCCc1ccc(cc1)O 62a_100009816426_200025704644 [0,1,0,0,0,0|3,0,0]=4 568 B11R1.1 [13CH3]SCCc1ccc(cc1)O 62a_200025704644_100009816426 [0,1,0,0,0,0|3,0,0]=4 569 B11R1.16 C=CCC(=O)c1ccccc1 1458a_100000185807_100000210623 [0,1,0,0,0,0|2,0,1]=4 570 B11R1.16 C=CCN(C)c1ccccc1 2230a_100000210012_100000210623 [0,1,0,0,0,0|3,0,0]=4 571 B11R1.16 C=CCN(C)c1ccccc1 2230a_100000211662_200000210301 [0,1,0,0,0,0|3,0,0]=4 572 B11R1.16 C=CCN(C)c1ccccc1 269982a_100000210012_100000210623 [0,1,0,0,0,0|3,0,0]=4 573 B11R1.16 C=CCN(C)c1ccccc1 269982a_100000211662_200000210301 [0,1,0,0,0,0|3,0,0]=4 574 B11R1.16 C=CCN(C)c1ccccc1 34a_100000210012_100015514636 [0,1,0,0,0,0|3,0,0]=4 575 B11R1.16 C=CCN(C)c1ccccc1 34a_100000211662_200000210301 [0,1,0,0,0,0|3,0,0]=4 576 B11R1.16 C=CCN([13CH3])c1ccccc1 2230a_100000211662_200025704644 [0,1,0,0,0,0|3,0,0]=4 577 B11R1.16 C=CCN([13CH3])c1ccccc1 269982a_100000211662_200025704644 [0,1,0,0,0,0|3,0,0]=4 578 B11R1.16 C=CCN([13CH3])c1ccccc1 34a_100000211662_200025704644 [0,1,0,0,0,0|3,0,0]=4 579 B11R1.16 CC(CN[13CH3])c1ccccc1 2230a_100000701038_200025704644 [0,1,0,0,0,0|3,0,0]=4 580 B11R1.16 CC(CN[13CH3])c1ccccc1 34a_100000701038_200025704644 [0,1,0,0,0,0|3,0,0]=4 581 B11R1.16 CC(CO[13CH3])c1ccccc1 34a_100011215166_200025704644 [0,1,0,0,0,0|3,0,0]=4 582 B11R1.16 CC(CO[13CH3])c1ccccc1 7a_100011215166_200025704644 [0,1,0,0,0,0|3,0,0]=4 583 B11R1.16 CC(CS[13CH3])c1ccccc1 62a_100000756946_200025704644 [0,1,0,0,0,0|3,0,0]=4 584 B11R1.16 CC(CS[13CH3])c1ccccc1 62a_200025704644_100000756946 [0,1,0,0,0,0|3,0,0]=4 585 B11R1.16 CC(SCF)c1ccccc1 62a_100000230085_100015361967 [0,1,0,0,0,0|2,0,1]=4 586 B11R1.16 CC(SCF)c1ccccc1 62a_100015361967_100000230085 [0,1,0,0,0,0|2,0,1]=4 587 B11R1.16 CCNC(=O)c1ccccc1 11a_100015525214_100000185807 [0,1,0,0,0,0|1,0,2]=4 588 B11R1.16 CCNC(=O)c1ccccc1 240690a_100015525214_100000185807 [0,1,0,0,0,0|1,0,2]=4 589 B11R1.16 CCNC(=O)c1ccccc1 527a_100015525214_100000185807 [0,1,0,0,0,0|1,0,2]=4 590 B11R1.16 CCNC(C)c1ccccc1 2230a_100015525214_100000230085 [0,1,0,0,0,0|1,0,1]=3 591 B11R1.16 CCNC(C)c1ccccc1 269862a_100015525214_100000185851 [0,1,0,0,0,0|1,0,1]=3 592 B11R1.16 CCNC(C)c1ccccn1 2230a_100000181244_100000210202 [0,1,0,0,0,0|2,0,1]=4 593 B11R1.16 CCNC(C)c1ccccn1 269862a_100015525214_100000210467 [0,1,0,0,0,0|2,0,1]=4 594 B11R1.16 CCNC(C)c1cccnc1 2230a_100000195435_100000210202 [0,1,0,0,0,0|2,0,1]=4 595 B11R1.16 CCNC(C)c1cccnc1 269862a_100015525214_100000210468 [0,1,0,0,0,0|2,0,1]=4 596 B11R1.16 CCNC(C)c1ccncc1 2230a_100000181269_100000210202 [0,1,0,0,0,0|2,0,1]=4 597 B11R1.16 CCNC(C)c1ccncc1 269862a_100015525214_100000185792 [0,1,0,0,0,0|2,0,1]=4 598 B11R1.16 CCN[C@H](C)c1ccccc1 2230a_100000751104_100000210202 [0,1,0,0,0,0|1,0,1]=3 599 B11R1.16 CCOC(C)c1ccccc1 34a_100121572206_100000211855 [0,1,0,0,0,0|2,0,1]=4 600 B11R1.16 CCO[C@H](C)c1ccccc1 34a_100000761318_100000210202 [0,1,0,0,0,0|2,0,1]=4 601 B11R1.16 CCO[C@H](C)c1ccccc1 7a_100000761318_100000210202 [0,1,0,0,0,0|2,0,1]=4 602 B11R1.16 CCSC(C)c1ccccc1 62a_100000210202_100000230085 [0,1,0,0,0,0|2,0,1]=4 603 B11R1.16 CCSC(C)c1ccccc1 62a_100000230085_100000210202 [0,1,0,0,0,0|2,0,1]=4 604 B11R1.16 CN(CC=O)c1ccccc1 2230a_100000210012_200015260668 [0,1,0,0,0,0|2,0,0]=3 605 B11R1.16 CN(CC=O)c1ccccc1 269982a_100000210012_200015260668 [0,1,0,0,0,0|2,0,0]=3 606 B11R1.16 CN(CC=O)c1ccccc1 34a_100000210012_200009817547 [0,1,0,0,0,0|2,0,0]=3 607 B11R1.16 CNCC(C)c1ccccc1 2230a_100000701038_200000210301 [0,1,0,0,0,0|3,0,0]=4 608 B11R1.16 CNCC(C)c1ccccc1 2230a_106832991635_100000756946 [0,1,0,0,0,0|3,0,0]=4 609 B11R1.16 CNCC(C)c1ccccc1 270004a_106832991635_100000212034 [0,1,0,0,0,0|3,0,0]=4 610 B11R1.16 CNCC(C)c1ccccc1 34a_100000701038_200000210301 [0,1,0,0,0,0|3,0,0]=4 611 B11R1.16 CNCC(C)c1ccccc1 34a_100102657272_100000756946 [0,1,0,0,0,0|3,0,0]=4 612 B11R1.16 CNCC(C)c1ccccc1 7a_106832991635_100000756946 [0,1,0,0,0,0|3,0,0]=4 613 B11R1.16 CNCC(O)c1ccccc1 2230a_100000210709_200000210301 [0,1,0,0,0,0|3,0,0]=4 614 B11R1.16 CNCC(O)c1ccccc1 2230a_106832991635_100000185958 [0,1,0,0,0,0|3,0,0]=4 615 B11R1.16 CNCC(O)c1ccccc1 34a_100102657272_100000185958 [0,1,0,0,0,0|3,0,0]=4 616 B11R1.16 CNCC(O)c1ccccc1 7a_106832991635_100000185958 [0,1,0,0,0,0|3,0,0]=4 617 B11R1.16 CNC[C@@H](O)c1ccccc1 2230a_106832991635_100011933945 [0,1,0,0,0,0|3,0,0]=4 618 B11R1.16 CNC[C@@H](O)c1ccccc1 34a_100102657272_100011933945 [0,1,0,0,0,0|3,0,0]=4 619 B11R1.16 CNC[C@@H](O)c1ccccc1 7a_106832991635_100011933945 [0,1,0,0,0,0|3,0,0]=4 620 B11R1.16 CNNC(=O)c1ccccc1 22a_100016993582_100000185807 [0,1,0,0,0,0|2,0,1]=4 621 B11R1.16 COCC(C)c1ccccc1 34a_100011215166_200000210301 [0,1,0,0,0,0|3,0,0]=4 622 B11R1.16 COCC(C)c1ccccc1 34a_100138415774_100000756946 [0,1,0,0,0,0|3,0,0]=4 623 B11R1.16 COCC(C)c1ccccc1 7a_100011215166_200000210301 [0,1,0,0,0,0|3,0,0]=4 624 B11R1.16 COCC(O)c1ccccc1 34a_100138415774_100000185958 [0,1,0,0,0,0|3,0,0]=4 625 B11R1.16 COC[C@@H](N)c1ccccc1 34a_100000751927_200000210301 [0,1,0,0,0,0|3,0,0]=4 626 B11R1.16 COC[C@@H](O)c1ccccc1 34a_100138415774_100011933945 [0,1,0,0,0,0|3,0,0]=4 627 B11R1.16 CSCC(C)c1ccccc1 62a_100000756946_200000210301 [0,1,0,0,0,0|3,0,0]=4 628 B11R1.16 CSCC(C)c1ccccc1 62a_200000210301_100000756946 [0,1,0,0,0,0|3,0,0]=4 629 B11R1.16 CSCC(O)c1ccccc1 62a_100000185958_200000210301 [0,1,0,0,0,0|3,0,0]=4 630 B11R1.16 CSCC(O)c1ccccc1 62a_200000210301_100000185958 [0,1,0,0,0,0|3,0,0]=4 631 B11R1.16 CSC[C@@H](O)c1ccccc1 62a_100011933945_200000210301 [0,1,0,0,0,0|3,0,0]=4 632 B11R1.16 CSC[C@@H](O)c1ccccc1 62a_200000210301_100011933945 [0,1,0,0,0,0|3,0,0]=4 633 B11R1.16 C[C@@H](OCF)c1ccccc1 34a_100000761318_100015361967 [0,1,0,0,0,0|2,0,1]=4 634 B11R1.16 C[C@@H](OCF)c1ccccc1 7a_100000761318_100015361967 [0,1,0,0,0,0|2,0,1]=4 635 B11R1.16 [13CH3]NCC(O)c1ccccc1 2230a_100000210709_200025704644 [0,1,0,0,0,0|3,0,0]=4 636 B11R1.16 [13CH3]OC[C@@H](N)c1ccccc1 34a_100000751927_200025704644 [0,1,0,0,0,0|3,0,0]=4 637 B11R1.16 [13CH3]SCC(O)c1ccccc1 62a_100000185958_200025704644 [0,1,0,0,0,0|3,0,0]=4 638 B11R1.16 [13CH3]SCC(O)c1ccccc1 62a_200025704644_100000185958 [0,1,0,0,0,0|3,0,0]=4 639 B11R1.16 [13CH3]SC[C@@H](O)c1ccccc1 62a_100011933945_200025704644 [0,1,0,0,0,0|3,0,0]=4 640 B11R1.16 [13CH3]SC[C@@H](O)c1ccccc1 62a_200025704644_100011933945 [0,1,0,0,0,0|3,0,0]=4 641 B11R1.17 C=CCNc1ccccc1Br 34a_100000210017_100015514636 [0,1,0,0,0,0|3,0,0]=4 642 B11R1.17 C=CCNc1ccccc1C 34a_100015192222_100015514636 [0,1,0,0,0,0|3,0,0]=4 643 B11R1.17 C=CCNc1ccccc1Cl 34a_100000185783_100015514636 [0,1,0,0,0,0|3,0,0]=4 644 B11R1.17 C=CCNc1ccccc1F 34a_100000210422_100015514636 [0,1,0,0,0,0|3,0,0]=4 645 B11R1.17 C=CCNc1ccccc1I 34a_100000210053_100015514636 [0,1,0,0,0,0|3,0,0]=4 646 B11R1.17 C=CCNc1ccccc1O 34a_100000185747_100015514636 [0,1,0,0,0,0|3,0,0]=4 647 B11R1.17 C=CCOc1ccccc1Br 34a_100000181306_100015514636 [0,1,0,0,0,0|3,0,0]=4 648 B11R1.17 C=CCOc1ccccc1Br 7a_100000181306_100015514636 [0,1,0,0,0,0|3,0,0]=4 649 B11R1.17 C=CCOc1ccccc1C 34a_100000210338_100015514636 [0,1,0,0,0,0|3,0,0]=4 650 B11R1.17 C=CCOc1ccccc1C 7a_100000210338_100015514636 [0,1,0,0,0,0|3,0,0]=4 651 B11R1.17 C=CCOc1ccccc1Cl 34a_100000210172_100015514636 [0,1,0,0,0,0|3,0,0]=4 652 B11R1.17 C=CCOc1ccccc1Cl 7a_100000210172_100015514636 [0,1,0,0,0,0|3,0,0]=4 653 B11R1.17 C=CCOc1ccccc1F 34a_100000210171_100015514636 [0,1,0,0,0,0|3,0,0]=4 654 B11R1.17 C=CCOc1ccccc1F 7a_100000210171_100015514636 [0,1,0,0,0,0|3,0,0]=4 655 B11R1.17 C=CCOc1ccccc1I 34a_100000739446_100015514636 [0,1,0,0,0,0|3,0,0]=4 656 B11R1.17 C=CCOc1ccccc1I 7a_100000739446_100015514636 [0,1,0,0,0,0|3,0,0]=4 657 B11R1.17 C=CCOc1ccccc1N 34a_100000185747_100015514636 [0,1,0,0,0,0|3,0,0]=4 658 B11R1.17 C=CCOc1ccccc1N 7a_100000185747_100015514636 [0,1,0,0,0,0|3,0,0]=4 659 B11R1.17 C=CCSc1ccccc1Br 62a_100000210623_100000695589 [0,1,0,0,0,0|3,0,0]=4 660 B11R1.17 C=CCSc1ccccc1Br 62a_100000695589_100000210623 [0,1,0,0,0,0|3,0,0]=4 661 B11R1.17 C=CCSc1ccccc1C 62a_100000210623_100000210755 [0,1,0,0,0,0|3,0,0]=4 662 B11R1.17 C=CCSc1ccccc1C 62a_100000210755_100000210623 [0,1,0,0,0,0|3,0,0]=4 663 B11R1.17 C=CCSc1ccccc1Cl 62a_100000210623_100000764095 [0,1,0,0,0,0|3,0,0]=4 664 B11R1.17 C=CCSc1ccccc1Cl 62a_100000764095_100000210623 [0,1,0,0,0,0|3,0,0]=4 665 B11R1.17 C=CCSc1ccccc1F 62a_100000210623_100011215700 [0,1,0,0,0,0|3,0,0]=4 666 B11R1.17 C=CCSc1ccccc1F 62a_100011215700_100000210623 [0,1,0,0,0,0|3,0,0]=4 667 B11R1.17 C=CCSc1ccccc1N 62a_100000210017_100000210623 [0,1,0,0,0,0|3,0,0]=4 668 B11R1.17 C=CCSc1ccccc1N 62a_100000210623_100000210017 [0,1,0,0,0,0|3,0,0]=4 669 B11R1.17 C=CCSc1ccccc1O 62a_100000210623_100000739446 [0,1,0,0,0,0|3,0,0]=4 670 B11R1.17 C=CCSc1ccccc1O 62a_100000739446_100000210623 [0,1,0,0,0,0|3,0,0]=4 671 B11R1.17 CC=NNc1ccccc1Br 4a_100000241748_200000210099 [0,1,0,0,0,0|2,0,1]=4 672 B11R1.17 CC=NNc1ccccc1C 4a_100000184220_200000210099 [0,1,0,0,0,0|2,0,1]=4 673 B11R1.17 CC=NNc1ccccc1Cl 4a_100000683529_200000210099 [0,1,0,0,0,0|2,0,1]=4 674 B11R1.17 CC=NNc1ccccc1F 4a_100000239246_200000210099 [0,1,0,0,0,0|2,0,1]=4 675 B11R1.17 CC=NNc1ccccc1I 4a_100011218156_200000210099 [0,1,0,0,0,0|2,0,1]=4 676 B11R1.17 CCCCc1ccccc1Br 271570a_100020621405_100000695589 [0,1,0,0,0,0|2,0,1]=4 677 B11R1.17 CCCCc1ccccc1C 271570a_100020621405_100000210755 [0,1,0,0,0,0|2,0,1]=4 678 B11R1.17 CCCCc1ccccc1Cl 271570a_100020621405_100000764095 [0,1,0,0,0,0|2,0,1]=4 679 B11R1.17 CCCCc1ccccc1F 271570a_100020621405_100011215700 [0,1,0,0,0,0|2,0,1]=4 680 B11R1.17 CCCCc1ccccc1N 271570a_100020621405_100000210017 [0,1,0,0,0,0|2,0,1]=4 681 B11R1.17 CCCCc1ccccc1O 271570a_100020621405_100000739446 [0,1,0,0,0,0|2,0,1]=4 682 B11R1.17 CCNCc1ccccc1Br 207a_100015525214_100000211189 [0,1,0,0,0,0|1,0,1]=3 683 B11R1.17 CCNCc1ccccc1Br 2230a_100000689332_100000210202 [0,1,0,0,0,0|1,0,1]=3 684 B11R1.17 CCNCc1ccccc1Br 2230a_100015525214_100000184730 [0,1,0,0,0,0|1,0,1]=3 685 B11R1.17 CCNCc1ccccc1Br 270004a_100015525214_100000211189 [0,1,0,0,0,0|1,0,1]=3 686 B11R1.17 CCNCc1ccccc1Br 34a_100000689332_100000210202 [0,1,0,0,0,0|1,0,1]=3 687 B11R1.17 CCNCc1ccccc1C 207a_100015525214_100000211143 [0,1,0,0,0,0|1,0,1]=3 688 B11R1.17 CCNCc1ccccc1C 2230a_100015525214_100000211839 [0,1,0,0,0,0|1,0,1]=3 689 B11R1.17 CCNCc1ccccc1C 270004a_100015525214_100000211143 [0,1,0,0,0,0|1,0,1]=3 690 B11R1.17 CCNCc1ccccc1C 34a_100000174972_100000210202 [0,1,0,0,0,0|1,0,1]=3 691 B11R1.17 CCNCc1ccccc1Cl 207a_100015525214_100000210073 [0,1,0,0,0,0|1,0,1]=3 692 B11R1.17 CCNCc1ccccc1Cl 2230a_100000174879_100000210202 [0,1,0,0,0,0|1,0,1]=3 693 B11R1.17 CCNCc1ccccc1Cl 2230a_100015525214_100000187162 [0,1,0,0,0,0|1,0,1]=3 694 B11R1.17 CCNCc1ccccc1Cl 270004a_100015525214_100000210073 [0,1,0,0,0,0|1,0,1]=3 695 B11R1.17 CCNCc1ccccc1Cl 34a_100000174879_100000210202 [0,1,0,0,0,0|1,0,1]=3 696 B11R1.17 CCNCc1ccccc1F 207a_100015525214_100000210811 [0,1,0,0,0,0|1,0,1]=3 697 B11R1.17 CCNCc1ccccc1F 2230a_100015525214_100000211605 [0,1,0,0,0,0|1,0,1]=3 698 B11R1.17 CCNCc1ccccc1F 270004a_100015525214_100000210811 [0,1,0,0,0,0|1,0,1]=3 699 B11R1.17 CCNCc1ccccc1F 34a_100000174869_100000210202 [0,1,0,0,0,0|1,0,1]=3 700 B11R1.17 CCNCc1ccccc1I 207a_100015525214_100000010305 [0,1,0,0,0,0|1,0,1]=3 701 B11R1.17 CCNCc1ccccc1I 2230a_100015525214_100011215278 [0,1,0,0,0,0|1,0,1]=3 702 B11R1.17 CCNCc1ccccc1I 270004a_100015525214_100000010305 [0,1,0,0,0,0|1,0,1]=3 703 B11R1.17 CCNCc1ccccc1O 34a_100000185550_100000210202 [0,1,0,0,0,0|1,0,1]=3 704 B11R1.17 CCNCc1cccnc1Br 2230a_100009818023_100000210202 [0,1,0,0,0,0|2,0,1]=4 705 B11R1.17 CCNCc1cccnc1Br 2230a_100015525214_100010140945 [0,1,0,0,0,0|2,0,1]=4 706 B11R1.17 CCNCc1cccnc1Br 34a_100009818023_100000210202 [0,1,0,0,0,0|2,0,1]=4 707 B11R1.17 CCNCc1cccnc1C 207a_100015525214_100000751968 [0,1,0,0,0,0|2,0,1]=4 708 B11R1.17 CCNCc1cccnc1C 2230a_100015525214_100000732876 [0,1,0,0,0,0|2,0,1]=4 709 B11R1.17 CCNCc1cccnc1C 270004a_100015525214_100000751968 [0,1,0,0,0,0|2,0,1]=4 710 B11R1.17 CCNCc1cccnc1Cl 2230a_100015189234_100000210202 [0,1,0,0,0,0|2,0,1]=4 711 B11R1.17 CCNCc1cccnc1Cl 2230a_100015525214_100000045678 [0,1,0,0,0,0|2,0,1]=4 712 B11R1.17 CCNCc1cccnc1Cl 34a_100015189234_100000210202 [0,1,0,0,0,0|2,0,1]=4 713 B11R1.17 CCNCc1cccnc1F 2230a_100015525214_100000099810 [0,1,0,0,0,0|2,0,1]=4 714 B11R1.17 CCNCc1cccnc1F 34a_100000724633_100000210202 [0,1,0,0,0,0|2,0,1]=4 715 B11R1.17 CCNCc1cccnc1O 207a_100015525214_100011998315 [0,1,0,0,0,0|2,0,1]=4 716 B11R1.17 CCNCc1cccnc1O 270004a_100015525214_100011998315 [0,1,0,0,0,0|2,0,1]=4 717 B11R1.17 CCNCc1ccncc1Br 270004a_100015525214_100000755692 [0,1,0,0,0,0|2,0,1]=4 718 B11R1.17 CCNCc1ccncc1C 2230a_100015525214_100020672808 [0,1,0,0,0,0|2,0,1]=4 719 B11R1.17 CCNCc1ccncc1Cl 207a_100015525214_100011934409 [0,1,0,0,0,0|2,0,1]=4 720 B11R1.17 CCNCc1ccncc1Cl 2230a_100015525214_100000763264 [0,1,0,0,0,0|2,0,1]=4 721 B11R1.17 CCNCc1ccncc1Cl 270004a_100015525214_100011934409 [0,1,0,0,0,0|2,0,1]=4 722 B11R1.17 CCNCc1ccncc1F 34a_100011935246_100000210202 [0,1,0,0,0,0|2,0,1]=4 723 B11R1.17 CCNCc1cnccc1Br 270004a_100015525214_100009816821 [0,1,0,0,0,0|2,0,1]=4 724 B11R1.17 CCNCc1cnccc1C 207a_100015525214_100000685662 [0,1,0,0,0,0|2,0,1]=4 725 B11R1.17 CCNCc1cnccc1C 2230a_100015525214_100000690890 [0,1,0,0,0,0|2,0,1]=4 726 B11R1.17 CCNCc1cnccc1C 270004a_100015525214_100000685662 [0,1,0,0,0,0|2,0,1]=4 727 B11R1.17 CCNCc1cnccc1Cl 270004a_100015525214_100000050567 [0,1,0,0,0,0|2,0,1]=4 728 B11R1.17 CCNCc1ncccc1Br 207a_100015525214_100011934733 [0,1,0,0,0,0|2,0,1]=4 729 B11R1.17 CCNCc1ncccc1Br 2230a_100015525214_100025702911 [0,1,0,0,0,0|2,0,1]=4 730 B11R1.17 CCNCc1ncccc1Br 270004a_100015525214_100011934733 [0,1,0,0,0,0|2,0,1]=4 731 B11R1.17 CCNCc1ncccc1C 207a_100015525214_100000698913 [0,1,0,0,0,0|2,0,1]=4 732 B11R1.17 CCNCc1ncccc1C 2230a_100015525214_100000696600 [0,1,0,0,0,0|2,0,1]=4 733 B11R1.17 CCNCc1ncccc1C 270004a_100015525214_100000698913 [0,1,0,0,0,0|2,0,1]=4 734 B11R1.17 CCNCc1ncccc1C 34a_100011223789_100000210202 [0,1,0,0,0,0|2,0,1]=4 735 B11R1.17 CCNCc1ncccc1Cl 207a_100015525214_100012001307 [0,1,0,0,0,0|2,0,1]=4 736 B11R1.17 CCNCc1ncccc1Cl 2230a_100015189233_100000210202 [0,1,0,0,0,0|2,0,1]=4 737 B11R1.17 CCNCc1ncccc1Cl 2230a_100015525214_100000099807 [0,1,0,0,0,0|2,0,1]=4 738 B11R1.17 CCNCc1ncccc1Cl 270004a_100015525214_100012001307 [0,1,0,0,0,0|2,0,1]=4 739 B11R1.17 CCNCc1ncccc1F 207a_100015525214_100011934734 [0,1,0,0,0,0|2,0,1]=4 740 B11R1.17 CCNCc1ncccc1F 2230a_100015525214_100000104219 [0,1,0,0,0,0|2,0,1]=4 741 B11R1.17 CCNCc1ncccc1F 270004a_100015525214_100011934734 [0,1,0,0,0,0|2,0,1]=4 742 B11R1.17 CCNCc1ncccc1F 34a_100000690088_100000210202 [0,1,0,0,0,0|2,0,1]=4 743 B11R1.17 CCOCc1ccccc1Br 34a_100000756307_100000210202 [0,1,0,0,0,0|2,0,1]=4 744 B11R1.17 CCOCc1ccccc1Br 34a_100121572206_100000184730 [0,1,0,0,0,0|2,0,1]=4 745 B11R1.17 CCOCc1ccccc1Br 7a_100000756307_100000210202 [0,1,0,0,0,0|2,0,1]=4 746 B11R1.17 CCOCc1ccccc1C 34a_100000698903_100000210202 [0,1,0,0,0,0|2,0,1]=4 747 B11R1.17 CCOCc1ccccc1C 34a_100121572206_100000211839 [0,1,0,0,0,0|2,0,1]=4 748 B11R1.17 CCOCc1ccccc1C 7a_100000698903_100000210202 [0,1,0,0,0,0|2,0,1]=4 749 B11R1.17 CCOCc1ccccc1Cl 34a_100000210847_100000210202 [0,1,0,0,0,0|2,0,1]=4 750 B11R1.17 CCOCc1ccccc1Cl 34a_100121572206_100000187162 [0,1,0,0,0,0|2,0,1]=4 751 B11R1.17 CCOCc1ccccc1Cl 7a_100000210847_100000210202 [0,1,0,0,0,0|2,0,1]=4 752 B11R1.17 CCOCc1ccccc1F 34a_100000211962_100000210202 [0,1,0,0,0,0|2,0,1]=4 753 B11R1.17 CCOCc1ccccc1F 34a_100121572206_100000211605 [0,1,0,0,0,0|2,0,1]=4 754 B11R1.17 CCOCc1ccccc1F 7a_100000211962_100000210202 [0,1,0,0,0,0|2,0,1]=4 755 B11R1.17 CCOCc1ccccc1I 34a_100000187465_100000210202 [0,1,0,0,0,0|2,0,1]=4 756 B11R1.17 CCOCc1ccccc1I 34a_100121572206_100011215278 [0,1,0,0,0,0|2,0,1]=4 757 B11R1.17 CCOCc1ccccc1I 7a_100000187465_100000210202 [0,1,0,0,0,0|2,0,1]=4 758 B11R1.17 CCOCc1ccccc1N 34a_100000212039_100000210202 [0,1,0,0,0,0|2,0,1]=4 759 B11R1.17 CCOCc1ccccc1O 271570a_203496583355_200011493690 [0,1,0,0,0,0|2,0,1]=4 760 B11R1.17 CCSCc1ccccc1Br 62a_100000184730_100000210202 [0,1,0,0,0,0|2,0,1]=4 761 B11R1.17 CCSCc1ccccc1Br 62a_100000210202_100000184730 [0,1,0,0,0,0|2,0,1]=4 762 B11R1.17 CCSCc1ccccc1C 62a_100000210202_100000211839 [0,1,0,0,0,0|2,0,1]=4 763 B11R1.17 CCSCc1ccccc1C 62a_100000211839_100000210202 [0,1,0,0,0,0|2,0,1]=4 764 B11R1.17 CCSCc1ccccc1Cl 62a_100000187162_100000210202 [0,1,0,0,0,0|2,0,1]=4 765 B11R1.17 CCSCc1ccccc1Cl 62a_100000210202_100000187162 [0,1,0,0,0,0|2,0,1]=4 766 B11R1.17 CCSCc1ccccc1F 62a_100000210202_100000211605 [0,1,0,0,0,0|2,0,1]=4 767 B11R1.17 CCSCc1ccccc1F 62a_100000211605_100000210202 [0,1,0,0,0,0|2,0,1]=4 768 B11R1.17 CCSCc1ccccc1I 62a_100000210202_100011216222 [0,1,0,0,0,0|2,0,1]=4 769 B11R1.17 CCSCc1ccccc1I 62a_100011216222_100000210202 [0,1,0,0,0,0|2,0,1]=4 770 B11R1.17 CCSCc1ccccc1O 271570a_203496583355_200000173030 [0,1,0,0,0,0|2,0,1]=4 771 B11R1.17 CNCCc1ccccc1Br 2230a_100000747383_200000210301 [0,1,0,0,0,0|3,0,0]=4 772 B11R1.17 CNCCc1ccccc1Br 2230a_106832991635_100012161201 [0,1,0,0,0,0|3,0,0]=4 773 B11R1.17 CNCCc1ccccc1Br 34a_100000747383_200000210301 [0,1,0,0,0,0|3,0,0]=4 774 B11R1.17 CNCCc1ccccc1Br 34a_100102657272_100012161201 [0,1,0,0,0,0|3,0,0]=4 775 B11R1.17 CNCCc1ccccc1Br 7a_106832991635_100012161201 [0,1,0,0,0,0|3,0,0]=4 776 B11R1.17 CNCCc1ccccc1C 2230a_100000685071_200000210301 [0,1,0,0,0,0|3,0,0]=4 777 B11R1.17 CNCCc1ccccc1C 2230a_106832991635_100011713688 [0,1,0,0,0,0|3,0,0]=4 778 B11R1.17 CNCCc1ccccc1C 34a_100000685071_200000210301 [0,1,0,0,0,0|3,0,0]=4 779 B11R1.17 CNCCc1ccccc1C 34a_100102657272_100011713688 [0,1,0,0,0,0|3,0,0]=4 780 B11R1.17 CNCCc1ccccc1C 7a_106832991635_100011713688 [0,1,0,0,0,0|3,0,0]=4 781 B11R1.17 CNCCc1ccccc1Cl 2230a_100011207228_200000210301 [0,1,0,0,0,0|3,0,0]=4 782 B11R1.17 CNCCc1ccccc1Cl 2230a_106832991635_100011713703 [0,1,0,0,0,0|3,0,0]=4 783 B11R1.17 CNCCc1ccccc1Cl 270004a_106832991635_200011713468 [0,1,0,0,0,0|3,0,0]=4 784 B11R1.17 CNCCc1ccccc1Cl 34a_100011207228_200000210301 [0,1,0,0,0,0|3,0,0]=4 785 B11R1.17 CNCCc1ccccc1Cl 34a_100102657272_100011713703 [0,1,0,0,0,0|3,0,0]=4 786 B11R1.17 CNCCc1ccccc1Cl 7a_106832991635_100011713703 [0,1,0,0,0,0|3,0,0]=4 787 B11R1.17 CNCCc1ccccc1F 2230a_100000185272_200000210301 [0,1,0,0,0,0|3,0,0]=4 788 B11R1.17 CNCCc1ccccc1F 2230a_106832991635_100011713696 [0,1,0,0,0,0|3,0,0]=4 789 B11R1.17 CNCCc1ccccc1F 34a_100000185272_200000210301 [0,1,0,0,0,0|3,0,0]=4 790 B11R1.17 CNCCc1ccccc1F 34a_100102657272_100000720011 [0,1,0,0,0,0|3,0,0]=4 791 B11R1.17 CNCCc1ccccc1F 7a_106832991635_100000720011 [0,1,0,0,0,0|3,0,0]=4 792 B11R1.17 CNCCc1ccccc1O 34a_100011207237_200000210301 [0,1,0,0,0,0|3,0,0]=4 793 B11R1.17 CNCCc1ccccc1O 34a_100102657272_100000722297 [0,1,0,0,0,0|3,0,0]=4 794 B11R1.17 CNCCc1ccccc1O 7a_106832991635_100000722297 [0,1,0,0,0,0|3,0,0]=4 795 B11R1.17 COCCc1ccccc1Br 34a_100000731337_200000210301 [0,1,0,0,0,0|3,0,0]=4 796 B11R1.17 COCCc1ccccc1Br 34a_100138415774_100012161201 [0,1,0,0,0,0|3,0,0]=4 797 B11R1.17 COCCc1ccccc1Br 7a_100000731337_200000210301 [0,1,0,0,0,0|3,0,0]=4 798 B11R1.17 COCCc1ccccc1C 34a_100011220023_200000210301 [0,1,0,0,0,0|3,0,0]=4 799 B11R1.17 COCCc1ccccc1C 34a_100138415774_100011713688 [0,1,0,0,0,0|3,0,0]=4 800 B11R1.17 COCCc1ccccc1C 7a_100011220023_200000210301 [0,1,0,0,0,0|3,0,0]=4 801 B11R1.17 COCCc1ccccc1Cl 34a_100011215284_200000210301 [0,1,0,0,0,0|3,0,0]=4 802 B11R1.17 COCCc1ccccc1Cl 34a_100138415774_100011713703 [0,1,0,0,0,0|3,0,0]=4 803 B11R1.17 COCCc1ccccc1Cl 7a_100011215284_200000210301 [0,1,0,0,0,0|3,0,0]=4 804 B11R1.17 COCCc1ccccc1F 34a_100000753711_200000210301 [0,1,0,0,0,0|3,0,0]=4 805 B11R1.17 COCCc1ccccc1F 34a_100138415774_100000720011 [0,1,0,0,0,0|3,0,0]=4 806 B11R1.17 COCCc1ccccc1F 7a_100000753711_200000210301 [0,1,0,0,0,0|3,0,0]=4 807 B11R1.17 COCCc1ccccc1I 34a_100010255290_200000210301 [0,1,0,0,0,0|3,0,0]=4 808 B11R1.17 COCCc1ccccc1I 7a_100010255290_200000210301 [0,1,0,0,0,0|3,0,0]=4 809 B11R1.17 COCCc1ccccc1N 34a_100011215289_200000210301 [0,1,0,0,0,0|3,0,0]=4 810 B11R1.17 COCCc1ccccc1O 34a_100138415774_100000722297 [0,1,0,0,0,0|3,0,0]=4 811 B11R1.17 CSCCc1ccccc1Br 62a_100012161201_200000210301 [0,1,0,0,0,0|3,0,0]=4 812 B11R1.17 CSCCc1ccccc1Br 62a_200000210301_100012161201 [0,1,0,0,0,0|3,0,0]=4 813 B11R1.17 CSCCc1ccccc1C 62a_100011713688_200000210301 [0,1,0,0,0,0|3,0,0]=4 814 B11R1.17 CSCCc1ccccc1C 62a_200000210301_100011713688 [0,1,0,0,0,0|3,0,0]=4 815 B11R1.17 CSCCc1ccccc1Cl 62a_100011713703_200000210301 [0,1,0,0,0,0|3,0,0]=4 816 B11R1.17 CSCCc1ccccc1Cl 62a_200000210301_100011713703 [0,1,0,0,0,0|3,0,0]=4 817 B11R1.17 CSCCc1ccccc1F 62a_100011713696_200000210301 [0,1,0,0,0,0|3,0,0]=4 818 B11R1.17 CSCCc1ccccc1F 62a_200000210301_100011713696 [0,1,0,0,0,0|3,0,0]=4 819 B11R1.17 CSCCc1ccccc1O 62a_100000722297_200000210301 [0,1,0,0,0,0|3,0,0]=4 820 B11R1.17 CSCCc1ccccc1O 62a_200000210301_100000722297 [0,1,0,0,0,0|3,0,0]=4 821 B11R1.17 C[n+]1ccccc1SCC=O 62a_200015260668_100000212160 [0,1,0,0,0,0|3,0,0]=4 822 B11R1.17 Cc1ccccc1CCN[13CH3] 2230a_100000685071_200025704644 [0,1,0,0,0,0|3,0,0]=4 823 B11R1.17 Cc1ccccc1CCN[13CH3] 34a_100000685071_200025704644 [0,1,0,0,0,0|3,0,0]=4 824 B11R1.17 Cc1ccccc1CCO[13CH3] 34a_100011220023_200025704644 [0,1,0,0,0,0|3,0,0]=4 825 B11R1.17 Cc1ccccc1CCO[13CH3] 7a_100011220023_200025704644 [0,1,0,0,0,0|3,0,0]=4 826 B11R1.17 Cc1ccccc1CCS[13CH3] 62a_100011713688_200025704644 [0,1,0,0,0,0|3,0,0]=4 827 B11R1.17 Cc1ccccc1CCS[13CH3] 62a_200025704644_100011713688 [0,1,0,0,0,0|3,0,0]=4 828 B11R1.17 Cc1ccccc1CNCF 34a_100000174972_100015361967 [0,1,0,0,0,0|1,0,1]=3 829 B11R1.17 Cc1ccccc1COCF 34a_100000698903_100015361967 [0,1,0,0,0,0|2,0,1]=4 830 B11R1.17 Cc1ccccc1COCF 7a_100000698903_100015361967 [0,1,0,0,0,0|2,0,1]=4 831 B11R1.17 Cc1ccccc1CSCF 62a_100000211839_100015361967 [0,1,0,0,0,0|2,0,1]=4 832 B11R1.17 Cc1ccccc1CSCF 62a_100015361967_100000211839 [0,1,0,0,0,0|2,0,1]=4 833 B11R1.17 Cc1ccccc1NCC=O 34a_100015192222_200009817547 [0,1,0,0,0,0|2,0,0]=3 834 B11R1.17 Cc1ccccc1OCC=O 34a_100000210338_200009817547 [0,1,0,0,0,0|2,0,0]=3 835 B11R1.17 Cc1ccccc1OCC=O 7a_100000210338_200015260668 [0,1,0,0,0,0|2,0,0]=3 836 B11R1.17 Cc1ccccc1SCC=O 62a_100000210755_200015260668 [0,1,0,0,0,0|2,0,0]=3 837 B11R1.17 Cc1ccccc1SCC=O 62a_200015260668_100000210755 [0,1,0,0,0,0|2,0,0]=3 838 B11R1.17 Cc1cccnc1CNCF 34a_100011223789_100015361967 [0,1,0,0,0,0|2,0,1]=4 839 B11R1.17 Cc1cccnc1SCC=O 62a_100000751373_200015260668 [0,1,0,0,0,0|3,0,0]=4 840 B11R1.17 Cc1cccnc1SCC=O 62a_200015260668_100000751373 [0,1,0,0,0,0|3,0,0]=4 841 B11R1.17 Cc1ccncc1OCC=O 34a_100011997053_200009817547 [0,1,0,0,0,0|3,0,0]=4 842 B11R1.17 Cc1ccncc1OCC=O 7a_100011997053_200015260668 [0,1,0,0,0,0|3,0,0]=4 843 B11R1.17 Cc1ccncc1SCC=O 62a_100000761580_200015260668 [0,1,0,0,0,0|3,0,0]=4 844 B11R1.17 Cc1ccncc1SCC=O 62a_200015260668_100000761580 [0,1,0,0,0,0|3,0,0]=4 845 B11R1.17 Cc1cnccc1OCC=O 34a_100000694293_200009817547 [0,1,0,0,0,0|3,0,0]=4 846 B11R1.17 Cc1cnccc1SCC=O 62a_100000765111_200015260668 [0,1,0,0,0,0|3,0,0]=4 847 B11R1.17 Cc1cnccc1SCC=O 62a_200015260668_100000765111 [0,1,0,0,0,0|3,0,0]=4 848 B11R1.17 Cc1ncccc1OCC=O 34a_100000745507_200009817547 [0,1,0,0,0,0|3,0,0]=4 849 B11R1.17 Cc1ncccc1OCC=O 7a_100000745507_200015260668 [0,1,0,0,0,0|3,0,0]=4 850 B11R1.17 Cc1ncccc1SCC=O 62a_100000751574_200015260668 [0,1,0,0,0,0|3,0,0]=4 851 B11R1.17 Cc1ncccc1SCC=O 62a_200015260668_100000751574 [0,1,0,0,0,0|3,0,0]=4 852 B11R1.17 FCNCc1ccccc1Br 34a_100000689332_100015361967 [0,1,0,0,0,0|1,0,1]=3 853 B11R1.17 FCNCc1ccccc1Cl 34a_100000174879_100015361967 [0,1,0,0,0,0|1,0,1]=3 854 B11R1.17 FCNCc1ccccc1F 34a_100000174869_100015361967 [0,1,0,0,0,0|1,0,1]=3 855 B11R1.17 FCNCc1cccnc1Br 34a_100009818023_100015361967 [0,1,0,0,0,0|2,0,1]=4 856 B11R1.17 FCNCc1cccnc1Cl 34a_100015189234_100015361967 [0,1,0,0,0,0|2,0,1]=4 857 B11R1.17 FCNCc1cccnc1F 34a_100000724633_100015361967 [0,1,0,0,0,0|2,0,1]=4 858 B11R1.17 FCNCc1ccncc1F 34a_100011935246_100015361967 [0,1,0,0,0,0|2,0,1]=4 859 B11R1.17 FCNCc1ncccc1F 34a_100000690088_100015361967 [0,1,0,0,0,0|2,0,1]=4 860 B11R1.17 FCOCc1ccccc1Br 34a_100000756307_100015361967 [0,1,0,0,0,0|2,0,1]=4 861 B11R1.17 FCOCc1ccccc1Br 7a_100000756307_100015361967 [0,1,0,0,0,0|2,0,1]=4 862 B11R1.17 FCOCc1ccccc1Cl 34a_100000210847_100015361967 [0,1,0,0,0,0|2,0,1]=4 863 B11R1.17 FCOCc1ccccc1Cl 7a_100000210847_100015361967 [0,1,0,0,0,0|2,0,1]=4 864 B11R1.17 FCOCc1ccccc1F 34a_100000211962_100015361967 [0,1,0,0,0,0|2,0,1]=4 865 B11R1.17 FCOCc1ccccc1F 7a_100000211962_100015361967 [0,1,0,0,0,0|2,0,1]=4 866 B11R1.17 FCOCc1ccccc1I 34a_100000187465_100015361967 [0,1,0,0,0,0|2,0,1]=4 867 B11R1.17 FCOCc1ccccc1I 7a_100000187465_100015361967 [0,1,0,0,0,0|2,0,1]=4 868 B11R1.17 FCSCc1ccccc1Br 62a_100000184730_100015361967 [0,1,0,0,0,0|2,0,1]=4 869 B11R1.17 FCSCc1ccccc1Br 62a_100015361967_100000184730 [0,1,0,0,0,0|2,0,1]=4 870 B11R1.17 FCSCc1ccccc1Cl 62a_100000187162_100015361967 [0,1,0,0,0,0|2,0,1]=4 871 B11R1.17 FCSCc1ccccc1Cl 62a_100015361967_100000187162 [0,1,0,0,0,0|2,0,1]=4 872 B11R1.17 FCSCc1ccccc1F 62a_100000211605_100015361967 [0,1,0,0,0,0|2,0,1]=4 873 B11R1.17 FCSCc1ccccc1F 62a_100015361967_100000211605 [0,1,0,0,0,0|2,0,1]=4 874 B11R1.17 FCSCc1ccccc1I 62a_100011216222_100015361967 [0,1,0,0,0,0|2,0,1]=4 875 B11R1.17 FCSCc1ccccc1I 62a_100015361967_100011216222 [0,1,0,0,0,0|2,0,1]=4 876 B11R1.17 N#CSCc1ccccc1O 271570a_203496583355_200010199460 [0,1,0,0,0,0|2,0,1]=4 877 B11R1.17 Nc1ccccc1COCF 34a_100000212039_100015361967 [0,1,0,0,0,0|2,0,1]=4 878 B11R1.17 Nc1ccccc1OCC=O 34a_100000185747_200009817547 [0,1,0,0,0,0|2,0,0]=3 879 B11R1.17 Nc1ccccc1OCC=O 7a_100000185747_200015260668 [0,1,0,0,0,0|2,0,0]=3 880 B11R1.17 Nc1ccccc1SCC=O 62a_100000210017_200015260668 [0,1,0,0,0,0|2,0,0]=3 881 B11R1.17 Nc1ccccc1SCC=O 62a_200015260668_100000210017 [0,1,0,0,0,0|2,0,0]=3 882 B11R1.17 Nc1cccnc1OCC=O 34a_100000746358_200009817547 [0,1,0,0,0,0|3,0,0]=4 883 B11R1.17 Nc1cccnc1SCC=O 62a_100000688686_200015260668 [0,1,0,0,0,0|3,0,0]=4 884 B11R1.17 Nc1cccnc1SCC=O 62a_200015260668_100000688686 [0,1,0,0,0,0|3,0,0]=4 885 B11R1.17 Nc1ccncc1OCC=O 34a_100000753702_200009817547 [0,1,0,0,0,0|3,0,0]=4 886 B11R1.17 Nc1ccncc1SCC=O 62a_100000047001_200015260668 [0,1,0,0,0,0|3,0,0]=4 887 B11R1.17 Nc1ccncc1SCC=O 62a_200015260668_100000047001 [0,1,0,0,0,0|3,0,0]=4 888 B11R1.17 Nc1cnccc1SCC=O 62a_100000756074_200015260668 [0,1,0,0,0,0|3,0,0]=4 889 B11R1.17 Nc1cnccc1SCC=O 62a_200015260668_100000756074 [0,1,0,0,0,0|3,0,0]=4 890 B11R1.17 Nc1ncccc1OCC=O 34a_100000211975_200009817547 [0,1,0,0,0,0|3,0,0]=4 891 B11R1.17 Nc1ncccc1OCC=O 7a_100000211975_200015260668 [0,1,0,0,0,0|3,0,0]=4 892 B11R1.17 Nc1ncccc1SCC=O 62a_100000045569_200015260668 [0,1,0,0,0,0|3,0,0]=4 893 B11R1.17 Nc1ncccc1SCC=O 62a_200015260668_100000045569 [0,1,0,0,0,0|3,0,0]=4 894 B11R1.17 O=CCCc1ccccc1O 271570a_203496583355_100011713448 [0,1,0,0,0,0|1,0,0]=2 895 B11R1.17 O=CCNc1ccccc1Br 34a_100000210017_200009817547 [0,1,0,0,0,0|2,0,0]=3 896 B11R1.17 O=CCNc1ccccc1Cl 34a_100000185783_200009817547 [0,1,0,0,0,0|2,0,0]=3 897 B11R1.17 O=CCNc1ccccc1F 34a_100000210422_200009817547 [0,1,0,0,0,0|2,0,0]=3 898 B11R1.17 O=CCNc1ccccc1I 34a_100000210053_200009817547 [0,1,0,0,0,0|2,0,0]=3 899 B11R1.17 O=CCNc1ccccc1O 34a_100000185747_200009817547 [0,1,0,0,0,0|2,0,0]=3 900 B11R1.17 O=CCOc1cccc[n+]1[O-] 7a_100000211761_200015260668 [0,1,0,0,0,0|3,0,0]=4 901 B11R1.17 O=CCOc1ccccc1Br 34a_100000181306_200009817547 [0,1,0,0,0,0|2,0,0]=3 902 B11R1.17 O=CCOc1ccccc1Br 7a_100000181306_200015260668 [0,1,0,0,0,0|2,0,0]=3 903 B11R1.17 O=CCOc1ccccc1Cl 34a_100000210172_200009817547 [0,1,0,0,0,0|2,0,0]=3 904 B11R1.17 O=CCOc1ccccc1Cl 7a_100000210172_200015260668 [0,1,0,0,0,0|2,0,0]=3 905 B11R1.17 O=CCOc1ccccc1F 34a_100000210171_200009817547 [0,1,0,0,0,0|2,0,0]=3 906 B11R1.17 O=CCOc1ccccc1F 7a_100000210171_200015260668 [0,1,0,0,0,0|2,0,0]=3 907 B11R1.17 O=CCOc1ccccc1I 34a_100000739446_200009817547 [0,1,0,0,0,0|2,0,0]=3 908 B11R1.17 O=CCOc1ccccc1I 7a_100000739446_200015260668 [0,1,0,0,0,0|2,0,0]=3 909 B11R1.17 O=CCOc1cccnc1Br 34a_100000744436_200009817547 [0,1,0,0,0,0|3,0,0]=4 910 B11R1.17 O=CCOc1cccnc1Br 7a_100000744436_200015260668 [0,1,0,0,0,0|3,0,0]=4 911 B11R1.17 O=CCOc1cccnc1Cl 34a_100000757616_200009817547 [0,1,0,0,0,0|3,0,0]=4 912 B11R1.17 O=CCOc1cccnc1Cl 7a_100000757616_200015260668 [0,1,0,0,0,0|3,0,0]=4 913 B11R1.17 O=CCOc1cccnc1F 34a_100000061740_200009817547 [0,1,0,0,0,0|3,0,0]=4 914 B11R1.17 O=CCOc1cccnc1F 7a_100000061740_200015260668 [0,1,0,0,0,0|3,0,0]=4 915 B11R1.17 O=CCOc1cccnc1I 34a_100000034122_200009817547 [0,1,0,0,0,0|3,0,0]=4 916 B11R1.17 O=CCOc1cccnc1I 7a_100000034122_200015260668 [0,1,0,0,0,0|3,0,0]=4 917 B11R1.17 O=CCOc1cccoc1=O 34a_100000077404_200009817547 [0,1,0,0,0,0|3,0,0]=4 918 B11R1.17 O=CCOc1cccoc1=O 7a_100000077404_200015260668 [0,1,0,0,0,0|3,0,0]=4 919 B11R1.17 O=CCOc1ccncc1Br 34a_100011996408_200009817547 [0,1,0,0,0,0|3,0,0]=4 920 B11R1.17 O=CCOc1ccncc1Cl 34a_100011997054_200009817547 [0,1,0,0,0,0|3,0,0]=4 921 B11R1.17 O=CCOc1ccncc1F 34a_200000081243_200009817547 [0,1,0,0,0,0|3,0,0]=4 922 B11R1.17 O=CCOc1cnccc1Cl 34a_100011996695_200009817547 [0,1,0,0,0,0|3,0,0]=4 923 B11R1.17 O=CCOc1cnccc1I 34a_100000050107_200009817547 [0,1,0,0,0,0|3,0,0]=4 924 B11R1.17 O=CCOc1coccc1=O 34a_100000060831_200009817547 [0,1,0,0,0,0|3,0,0]=4 925 B11R1.17 O=CCOc1ncccc1Cl 34a_100011290957_200009817547 [0,1,0,0,0,0|3,0,0]=4 926 B11R1.17 O=CCOc1ncccc1F 34a_100011219419_200009817547 [0,1,0,0,0,0|3,0,0]=4 927 B11R1.17 O=CCSc1c[nH]ccc1=O 62a_100009998708_200015260668 [0,1,0,0,0,0|3,0,0]=4 928 B11R1.17 O=CCSc1c[nH]ccc1=O 62a_200015260668_100009998708 [0,1,0,0,0,0|3,0,0]=4 929 B11R1.17 O=CCSc1c[nH]ccc1=S 62a_200012280681_200015260668 [0,1,0,0,0,0|3,0,0]=4 930 B11R1.17 O=CCSc1c[nH]ccc1=S 62a_200015260668_200012280681 [0,1,0,0,0,0|3,0,0]=4 931 B11R1.17 O=CCSc1cccc[n+]1[O-] 62a_200015260668_200000042595 [0,1,0,0,0,0|3,0,0]=4 932 B11R1.17 O=CCSc1ccccc1Br 62a_100000695589_200015260668 [0,1,0,0,0,0|2,0,0]=3 933 B11R1.17 O=CCSc1ccccc1Br 62a_200015260668_100000695589 [0,1,0,0,0,0|2,0,0]=3 934 B11R1.17 O=CCSc1ccccc1Cl 62a_100000764095_200015260668 [0,1,0,0,0,0|2,0,0]=3 935 B11R1.17 O=CCSc1ccccc1Cl 62a_200015260668_100000764095 [0,1,0,0,0,0|2,0,0]=3 936 B11R1.17 O=CCSc1ccccc1F 62a_100011215700_200015260668 [0,1,0,0,0,0|2,0,0]=3 937 B11R1.17 O=CCSc1ccccc1F 62a_200015260668_100011215700 [0,1,0,0,0,0|2,0,0]=3 938 B11R1.17 O=CCSc1ccccc1O 62a_100000739446_200015260668 [0,1,0,0,0,0|2,0,0]=3 939 B11R1.17 O=CCSc1ccccc1O 62a_200015260668_100000739446 [0,1,0,0,0,0|2,0,0]=3 940 B11R1.17 O=CCSc1cccnc1Br 62a_100010202626_200015260668 [0,1,0,0,0,0|3,0,0]=4 941 B11R1.17 O=CCSc1cccnc1Br 62a_200015260668_100010202626 [0,1,0,0,0,0|3,0,0]=4 942 B11R1.17 O=CCSc1cccnc1Cl 62a_100000036424_200015260668 [0,1,0,0,0,0|3,0,0]=4 943 B11R1.17 O=CCSc1cccnc1Cl 62a_200015260668_100000036424 [0,1,0,0,0,0|3,0,0]=4 944 B11R1.17 O=CCSc1cccnc1F 62a_100009816115_200015260668 [0,1,0,0,0,0|3,0,0]=4 945 B11R1.17 O=CCSc1cccnc1F 62a_200015260668_100009816115 [0,1,0,0,0,0|3,0,0]=4 946 B11R1.17 O=CCSc1cccnc1O 62a_100000760158_200015260668 [0,1,0,0,0,0|3,0,0]=4 947 B11R1.17 O=CCSc1cccnc1O 62a_200015260668_100000760158 [0,1,0,0,0,0|3,0,0]=4 948 B11R1.17 O=CCSc1ccncc1Br 62a_100000726257_200015260668 [0,1,0,0,0,0|3,0,0]=4 949 B11R1.17 O=CCSc1ccncc1Br 62a_200015260668_100000726257 [0,1,0,0,0,0|3,0,0]=4 950 B11R1.17 O=CCSc1ccncc1Cl 62a_100000708259_200015260668 [0,1,0,0,0,0|3,0,0]=4 951 B11R1.17 O=CCSc1ccncc1Cl 62a_200015260668_100000708259 [0,1,0,0,0,0|3,0,0]=4 952 B11R1.17 O=CCSc1ccncc1F 62a_100000047030_200015260668 [0,1,0,0,0,0|3,0,0]=4 953 B11R1.17 O=CCSc1ccncc1F 62a_200015260668_100000047030 [0,1,0,0,0,0|3,0,0]=4 954 B11R1.17 O=CCSc1ccncc1O 62a_100009817591_200015260668 [0,1,0,0,0,0|3,0,0]=4 955 B11R1.17 O=CCSc1ccncc1O 62a_200015260668_100009817591 [0,1,0,0,0,0|3,0,0]=4 956 B11R1.17 O=CCSc1cnccc1Br 62a_100010138639_200015260668 [0,1,0,0,0,0|3,0,0]=4 957 B11R1.17 O=CCSc1cnccc1Br 62a_200015260668_100010138639 [0,1,0,0,0,0|3,0,0]=4 958 B11R1.17 O=CCSc1cnccc1Cl 62a_100009995489_200015260668 [0,1,0,0,0,0|3,0,0]=4 959 B11R1.17 O=CCSc1cnccc1Cl 62a_200015260668_100009995489 [0,1,0,0,0,0|3,0,0]=4 960 B11R1.17 O=CCSc1cnccc1F 62a_100009820683_200015260668 [0,1,0,0,0,0|3,0,0]=4 961 B11R1.17 O=CCSc1cnccc1F 62a_200015260668_100009820683 [0,1,0,0,0,0|3,0,0]=4 962 B11R1.17 O=CCSc1ncccc1Br 62a_100000696092_200015260668 [0,1,0,0,0,0|3,0,0]=4 963 B11R1.17 O=CCSc1ncccc1Br 62a_200015260668_100000696092 [0,1,0,0,0,0|3,0,0]=4 964 B11R1.17 O=CCSc1ncccc1Cl 62a_100011356963_200015260668 [0,1,0,0,0,0|3,0,0]=4 965 B11R1.17 O=CCSc1ncccc1Cl 62a_200015260668_100011356963 [0,1,0,0,0,0|3,0,0]=4 966 B11R1.17 O=CCSc1ncccc1F 62a_100000685392_200015260668 [0,1,0,0,0,0|3,0,0]=4 967 B11R1.17 O=CCSc1ncccc1F 62a_200015260668_100000685392 [0,1,0,0,0,0|3,0,0]=4 968 B11R1.17 O=CCSc1ncccc1O 62a_100000034122_200015260668 [0,1,0,0,0,0|3,0,0]=4 969 B11R1.17 O=CCSc1ncccc1O 62a_200015260668_100000034122 [0,1,0,0,0,0|3,0,0]=4 970 B11R1.17 OCCCc1ccccc1O 271570a_203496583355_100000699526 [0,1,0,0,0,0|1,0,2]=4 971 B11R1.17 Oc1ccccc1CNCF 34a_100000185550_100015361967 [0,1,0,0,0,0|1,0,1]=3 972 B11R1.17 [13CH3]NCCc1ccccc1Br 2230a_100000747383_200025704644 [0,1,0,0,0,0|3,0,0]=4 973 B11R1.17 [13CH3]NCCc1ccccc1Br 34a_100000747383_200025704644 [0,1,0,0,0,0|3,0,0]=4 974 B11R1.17 [13CH3]NCCc1ccccc1Cl 2230a_100011207228_200025704644 [0,1,0,0,0,0|3,0,0]=4 975 B11R1.17 [13CH3]NCCc1ccccc1Cl 34a_100011207228_200025704644 [0,1,0,0,0,0|3,0,0]=4 976 B11R1.17 [13CH3]NCCc1ccccc1F 2230a_100000185272_200025704644 [0,1,0,0,0,0|3,0,0]=4 977 B11R1.17 [13CH3]NCCc1ccccc1F 34a_100000185272_200025704644 [0,1,0,0,0,0|3,0,0]=4 978 B11R1.17 [13CH3]NCCc1ccccc1O 34a_100011207237_200025704644 [0,1,0,0,0,0|3,0,0]=4 979 B11R1.17 [13CH3]OCCc1ccccc1Br 34a_100000731337_200025704644 [0,1,0,0,0,0|3,0,0]=4 980 B11R1.17 [13CH3]OCCc1ccccc1Br 7a_100000731337_200025704644 [0,1,0,0,0,0|3,0,0]=4 981 B11R1.17 [13CH3]OCCc1ccccc1Cl 34a_100011215284_200025704644 [0,1,0,0,0,0|3,0,0]=4 982 B11R1.17 [13CH3]OCCc1ccccc1Cl 7a_100011215284_200025704644 [0,1,0,0,0,0|3,0,0]=4 983 B11R1.17 [13CH3]OCCc1ccccc1F 34a_100000753711_200025704644 [0,1,0,0,0,0|3,0,0]=4 984 B11R1.17 [13CH3]OCCc1ccccc1F 7a_100000753711_200025704644 [0,1,0,0,0,0|3,0,0]=4 985 B11R1.17 [13CH3]OCCc1ccccc1I 34a_100010255290_200025704644 [0,1,0,0,0,0|3,0,0]=4 986 B11R1.17 [13CH3]OCCc1ccccc1I 7a_100010255290_200025704644 [0,1,0,0,0,0|3,0,0]=4 987 B11R1.17 [13CH3]OCCc1ccccc1N 34a_100011215289_200025704644 [0,1,0,0,0,0|3,0,0]=4 988 B11R1.17 [13CH3]SCCc1ccccc1Br 62a_100012161201_200025704644 [0,1,0,0,0,0|3,0,0]=4 989 B11R1.17 [13CH3]SCCc1ccccc1Br 62a_200025704644_100012161201 [0,1,0,0,0,0|3,0,0]=4 990 B11R1.17 [13CH3]SCCc1ccccc1Cl 62a_100011713703_200025704644 [0,1,0,0,0,0|3,0,0]=4 991 B11R1.17 [13CH3]SCCc1ccccc1Cl 62a_200025704644_100011713703 [0,1,0,0,0,0|3,0,0]=4 992 B11R1.17 [13CH3]SCCc1ccccc1F 62a_100011713696_200025704644 [0,1,0,0,0,0|3,0,0]=4 993 B11R1.17 [13CH3]SCCc1ccccc1F 62a_200025704644_100011713696 [0,1,0,0,0,0|3,0,0]=4 994 B11R1.17 [13CH3]SCCc1ccccc1O 62a_100000722297_200025704644 [0,1,0,0,0,0|3,0,0]=4 995 B11R1.17 [13CH3]SCCc1ccccc1O 62a_200025704644_100000722297 [0,1,0,0,0,0|3,0,0]=4 996 B11R1.24 C=CCNc1cccc(c1)Br 34a_100000210019_100015514636 [0,1,0,0,0,0|3,0,0]=4 997 B11R1.24 C=CCNc1cccc(c1)C 2230a_100000188690_100000210623 [0,1,0,0,0,0|3,0,0]=4 998 B11R1.24 C=CCNc1cccc(c1)C 34a_100000188690_100015514636 [0,1,0,0,0,0|3,0,0]=4 999 B11R1.24 C=CCNc1cccc(c1)Cl 34a_100000185859_100015514636 [0,1,0,0,0,0|3,0,0]=4 1000 B11R1.24 C=CCNc1cccc(c1)F 34a_100000210047_100015514636 [0,1,0,0,0,0|3,0,0]=4 1001 B11R1.24 C=CCNc1cccc(c1)I 34a_100000211102_100015514636 [0,1,0,0,0,0|3,0,0]=4 1002 B11R1.24 C=CCNc1cccc(c1)O 34a_100000210217_100015514636 [0,1,0,0,0,0|3,0,0]=4 1003 B11R1.24 C=CCOc1cccc(c1)Br 34a_100000210342_100015514636 [0,1,0,0,0,0|3,0,0]=4 1004 B11R1.24 C=CCOc1cccc(c1)Br 7a_100000210342_100015514636 [0,1,0,0,0,0|3,0,0]=4 1005 B11R1.24 C=CCOc1cccc(c1)C 34a_100000210337_100015514636 [0,1,0,0,0,0|3,0,0]=4 1006 B11R1.24 C=CCOc1cccc(c1)C 7a_100000210337_100015514636 [0,1,0,0,0,0|3,0,0]=4 1007 B11R1.24 C=CCOc1cccc(c1)Cl 34a_100000210295_100015514636 [0,1,0,0,0,0|3,0,0]=4 1008 B11R1.24 C=CCOc1cccc(c1)Cl 7a_100000210295_100015514636 [0,1,0,0,0,0|3,0,0]=4 1009 B11R1.24 C=CCOc1cccc(c1)F 34a_100000210426_100015514636 [0,1,0,0,0,0|3,0,0]=4 1010 B11R1.24 C=CCOc1cccc(c1)F 7a_100000210426_100015514636 [0,1,0,0,0,0|3,0,0]=4 1011 B11R1.24 C=CCOc1cccc(c1)I 34a_100000211634_100015514636 [0,1,0,0,0,0|3,0,0]=4 1012 B11R1.24 C=CCOc1cccc(c1)I 7a_100000211634_100015514636 [0,1,0,0,0,0|3,0,0]=4 1013 B11R1.24 C=CCOc1cccc(c1)N 34a_100000210217_100015514636 [0,1,0,0,0,0|3,0,0]=4 1014 B11R1.24 C=CCSc1cccc(c1)Br 62a_100000210623_100000691529 [0,1,0,0,0,0|3,0,0]=4 1015 B11R1.24 C=CCSc1cccc(c1)Br 62a_100000691529_100000210623 [0,1,0,0,0,0|3,0,0]=4 1016 B11R1.24 C=CCSc1cccc(c1)C 62a_100000210623_100011215228 [0,1,0,0,0,0|3,0,0]=4 1017 B11R1.24 C=CCSc1cccc(c1)C 62a_100011215228_100000210623 [0,1,0,0,0,0|3,0,0]=4 1018 B11R1.24 C=CCSc1cccc(c1)Cl 62a_100000210623_100000699651 [0,1,0,0,0,0|3,0,0]=4 1019 B11R1.24 C=CCSc1cccc(c1)Cl 62a_100000699651_100000210623 [0,1,0,0,0,0|3,0,0]=4 1020 B11R1.24 C=CCSc1cccc(c1)F 62a_100000210623_100000685547 [0,1,0,0,0,0|3,0,0]=4 1021 B11R1.24 C=CCSc1cccc(c1)F 62a_100000685547_100000210623 [0,1,0,0,0,0|3,0,0]=4 1022 B11R1.24 C=CCSc1cccc(c1)N 62a_100000210019_100000210623 [0,1,0,0,0,0|3,0,0]=4 1023 B11R1.24 C=CCSc1cccc(c1)N 62a_100000210623_100000210019 [0,1,0,0,0,0|3,0,0]=4 1024 B11R1.24 C=CCSc1cccc(c1)O 62a_100000210623_100000211634 [0,1,0,0,0,0|3,0,0]=4 1025 B11R1.24 C=CCSc1cccc(c1)[S] 62a_100000210623_114929384022 [0,1,0,0,0,0|3,0,0]=4 1026 B11R1.24 C=CCSc1cccc(c1)[S] 62a_114929384022_100000210623 [0,1,0,0,0,0|3,0,0]=4 1027 B11R1.24 CC=NNc1cccc(c1)Br 4a_100000217339_200000210099 [0,1,0,0,0,0|2,0,1]=4 1028 B11R1.24 CC=NNc1cccc(c1)C 4a_100000681630_200000210099 [0,1,0,0,0,0|2,0,1]=4 1029 B11R1.24 CC=NNc1cccc(c1)Cl 4a_100000184277_200000210099 [0,1,0,0,0,0|2,0,1]=4 1030 B11R1.24 CC=NNc1cccc(c1)F 4a_100000745080_200000210099 [0,1,0,0,0,0|2,0,1]=4 1031 B11R1.24 CC=NNc1cccc(c1)I 4a_100020605690_200000210099 [0,1,0,0,0,0|2,0,1]=4 1032 B11R1.24 CCCCc1cccc(c1)Br 271570a_100020621405_100000691529 [0,1,0,0,0,0|2,0,1]=4 1033 B11R1.24 CCCCc1cccc(c1)C 271570a_100020621405_100011215228 [0,1,0,0,0,0|2,0,1]=4 1034 B11R1.24 CCCCc1cccc(c1)Cl 271570a_100020621405_100000699651 [0,1,0,0,0,0|2,0,1]=4 1035 B11R1.24 CCCCc1cccc(c1)F 271570a_100020621405_100000685547 [0,1,0,0,0,0|2,0,1]=4 1036 B11R1.24 CCCCc1cccc(c1)N 271570a_100020621405_100000210019 [0,1,0,0,0,0|2,0,1]=4 1037 B11R1.24 CCCCc1cccc(c1)O 271570a_100020621405_100000211634 [0,1,0,0,0,0|2,0,1]=4 1038 B11R1.24 CCCCc1cccc(c1)O 271570a_203496583355_200010244551 [0,1,0,0,0,0|2,0,1]=4 1039 B11R1.24 CCCCc1cccc(c1)[S] 271570a_100020621405_114929384022 [0,1,0,0,0,0|2,0,1]=4 1040 B11R1.24 CCNCc1cc(ccn1)Br 2230a_100015525214_100010173614 [0,1,0,0,0,0|2,0,1]=4 1041 B11R1.24 CCNCc1cc(ccn1)Br 270004a_100015525214_100009818557 [0,1,0,0,0,0|2,0,1]=4 1042 B11R1.24 CCNCc1cc(ccn1)C 207a_100015525214_100011361488 [0,1,0,0,0,0|2,0,1]=4 1043 B11R1.24 CCNCc1cc(ccn1)C 2230a_100015525214_100000718516 [0,1,0,0,0,0|2,0,1]=4 1044 B11R1.24 CCNCc1cc(ccn1)C 270004a_100015525214_100011361488 [0,1,0,0,0,0|2,0,1]=4 1045 B11R1.24 CCNCc1cc(ccn1)Cl 2230a_100015525214_100016988179 [0,1,0,0,0,0|2,0,1]=4 1046 B11R1.24 CCNCc1cc(ccn1)Cl 270004a_100015525214_100011998288 [0,1,0,0,0,0|2,0,1]=4 1047 B11R1.24 CCNCc1cccc(=O)[nH]1 207a_100015525214_100011935257 [0,1,0,0,0,0|2,0,1]=4 1048 B11R1.24 CCNCc1cccc(=O)[nH]1 2230a_100000696482_100000210202 [0,1,0,0,0,0|2,0,1]=4 1049 B11R1.24 CCNCc1cccc(c1)Br 207a_100015525214_100000210085 [0,1,0,0,0,0|1,0,1]=3 1050 B11R1.24 CCNCc1cccc(c1)Br 2230a_100000174977_100000210202 [0,1,0,0,0,0|1,0,1]=3 1051 B11R1.24 CCNCc1cccc(c1)Br 2230a_100015525214_100000698116 [0,1,0,0,0,0|1,0,1]=3 1052 B11R1.24 CCNCc1cccc(c1)Br 270004a_100015525214_100000210085 [0,1,0,0,0,0|1,0,1]=3 1053 B11R1.24 CCNCc1cccc(c1)Br 34a_100000174977_100000210202 [0,1,0,0,0,0|1,0,1]=3 1054 B11R1.24 CCNCc1cccc(c1)C 207a_100015525214_100000211157 [0,1,0,0,0,0|1,0,1]=3 1055 B11R1.24 CCNCc1cccc(c1)C 2230a_100000185548_100000210202 [0,1,0,0,0,0|1,0,1]=3 1056 B11R1.24 CCNCc1cccc(c1)C 2230a_100015525214_100000211840 [0,1,0,0,0,0|1,0,1]=3 1057 B11R1.24 CCNCc1cccc(c1)C 270004a_100015525214_100000211157 [0,1,0,0,0,0|1,0,1]=3 1058 B11R1.24 CCNCc1cccc(c1)C 34a_100000185548_100000210202 [0,1,0,0,0,0|1,0,1]=3 1059 B11R1.24 CCNCc1cccc(c1)Cl 207a_100015525214_100000210801 [0,1,0,0,0,0|1,0,1]=3 1060 B11R1.24 CCNCc1cccc(c1)Cl 2230a_100000174878_100000210202 [0,1,0,0,0,0|1,0,1]=3 1061 B11R1.24 CCNCc1cccc(c1)Cl 2230a_100015525214_100000181238 [0,1,0,0,0,0|1,0,1]=3 1062 B11R1.24 CCNCc1cccc(c1)Cl 270004a_100015525214_100000210801 [0,1,0,0,0,0|1,0,1]=3 1063 B11R1.24 CCNCc1cccc(c1)Cl 34a_100000174878_100000210202 [0,1,0,0,0,0|1,0,1]=3 1064 B11R1.24 CCNCc1cccc(c1)F 207a_100015525214_100000210812 [0,1,0,0,0,0|1,0,1]=3 1065 B11R1.24 CCNCc1cccc(c1)F 2230a_100000174948_100000210202 [0,1,0,0,0,0|1,0,1]=3 1066 B11R1.24 CCNCc1cccc(c1)F 2230a_100015525214_100000230114 [0,1,0,0,0,0|1,0,1]=3 1067 B11R1.24 CCNCc1cccc(c1)F 270004a_100015525214_100000210812 [0,1,0,0,0,0|1,0,1]=3 1068 B11R1.24 CCNCc1cccc(c1)F 34a_100000174948_100000210202 [0,1,0,0,0,0|1,0,1]=3 1069 B11R1.24 CCNCc1cccc(c1)I 207a_100015525214_100000014684 [0,1,0,0,0,0|1,0,1]=3 1070 B11R1.24 CCNCc1cccc(c1)I 2230a_100000106179_100000210202 [0,1,0,0,0,0|1,0,1]=3 1071 B11R1.24 CCNCc1cccc(c1)I 2230a_100015525214_100011218688 [0,1,0,0,0,0|1,0,1]=3 1072 B11R1.24 CCNCc1cccc(c1)I 270004a_100015525214_100000014684 [0,1,0,0,0,0|1,0,1]=3 1073 B11R1.24 CCNCc1cccc(c1)I 34a_100000106179_100000210202 [0,1,0,0,0,0|1,0,1]=3 1074 B11R1.24 CCNCc1cccc(c1)O 207a_100015525214_100000188321 [0,1,0,0,0,0|1,0,1]=3 1075 B11R1.24 CCNCc1cccc(c1)O 2230a_100000743036_100000210202 [0,1,0,0,0,0|1,0,1]=3 1076 B11R1.24 CCNCc1cccc(c1)O 2230a_100015525214_100011660834 [0,1,0,0,0,0|1,0,1]=3 1077 B11R1.24 CCNCc1cccc(c1)O 270004a_100015525214_100000188321 [0,1,0,0,0,0|1,0,1]=3 1078 B11R1.24 CCNCc1cccc(c1)O 271570a_203496583355_100000187426 [0,1,0,0,0,0|1,0,1]=3 1079 B11R1.24 CCNCc1cccc(c1)O 34a_100000743036_100000210202 [0,1,0,0,0,0|1,0,1]=3 1080 B11R1.24 CCNCc1cccc(n1)Br 2230a_100015525214_100009889011 [0,1,0,0,0,0|2,0,1]=4 1081 B11R1.24 CCNCc1cccc(n1)Br 2230a_100016987751_100000210202 [0,1,0,0,0,0|2,0,1]=4 1082 B11R1.24 CCNCc1cccc(n1)Br 270004a_100015525214_100000688028 [0,1,0,0,0,0|2,0,1]=4 1083 B11R1.24 CCNCc1cccc(n1)C 207a_100015525214_100011215050 [0,1,0,0,0,0|2,0,1]=4 1084 B11R1.24 CCNCc1cccc(n1)C 2230a_100015525214_100000757606 [0,1,0,0,0,0|2,0,1]=4 1085 B11R1.24 CCNCc1cccc(n1)C 270004a_100015525214_100011215050 [0,1,0,0,0,0|2,0,1]=4 1086 B11R1.24 CCNCc1cccc(n1)C 34a_100000701342_100000210202 [0,1,0,0,0,0|2,0,1]=4 1087 B11R1.24 CCNCc1cccc(n1)Cl 2230a_100015525214_100000086093 [0,1,0,0,0,0|2,0,1]=4 1088 B11R1.24 CCNCc1cccc(n1)Cl 2230a_100016990191_100000210202 [0,1,0,0,0,0|2,0,1]=4 1089 B11R1.24 CCNCc1cccc(n1)Cl 270004a_100015525214_100011361687 [0,1,0,0,0,0|2,0,1]=4 1090 B11R1.24 CCNCc1cccc(n1)F 2230a_100015188798_100000210202 [0,1,0,0,0,0|2,0,1]=4 1091 B11R1.24 CCNCc1cccc(n1)F 2230a_100015525214_100009819644 [0,1,0,0,0,0|2,0,1]=4 1092 B11R1.24 CCNCc1cccc(n1)F 270004a_100015525214_100000050434 [0,1,0,0,0,0|2,0,1]=4 1093 B11R1.24 CCNCc1cccc(n1)F 34a_100015188798_100000210202 [0,1,0,0,0,0|2,0,1]=4 1094 B11R1.24 CCNCc1ccnc(c1)Br 2230a_100015525214_100010243470 [0,1,0,0,0,0|2,0,1]=4 1095 B11R1.24 CCNCc1ccnc(c1)Br 2230a_100025757509_100000210202 [0,1,0,0,0,0|2,0,1]=4 1096 B11R1.24 CCNCc1ccnc(c1)Br 270004a_100015525214_100009814634 [0,1,0,0,0,0|2,0,1]=4 1097 B11R1.24 CCNCc1ccnc(c1)Br 34a_100025757509_100000210202 [0,1,0,0,0,0|2,0,1]=4 1098 B11R1.24 CCNCc1ccnc(c1)C 207a_100015525214_100011361630 [0,1,0,0,0,0|2,0,1]=4 1099 B11R1.24 CCNCc1ccnc(c1)C 2230a_100015525214_200020672517 [0,1,0,0,0,0|2,0,1]=4 1100 B11R1.24 CCNCc1ccnc(c1)C 270004a_100015525214_100011361630 [0,1,0,0,0,0|2,0,1]=4 1101 B11R1.24 CCNCc1ccnc(c1)C 34a_100011934566_100000210202 [0,1,0,0,0,0|2,0,1]=4 1102 B11R1.24 CCNCc1ccnc(c1)Cl 2230a_100015205668_100000210202 [0,1,0,0,0,0|2,0,1]=4 1103 B11R1.24 CCNCc1ccnc(c1)Cl 2230a_100015525214_100000764220 [0,1,0,0,0,0|2,0,1]=4 1104 B11R1.24 CCNCc1ccnc(c1)Cl 270004a_100015525214_100011290808 [0,1,0,0,0,0|2,0,1]=4 1105 B11R1.24 CCNCc1ccnc(c1)Cl 34a_100015205668_100000210202 [0,1,0,0,0,0|2,0,1]=4 1106 B11R1.24 CCNCc1ccnc(c1)F 2230a_100015188774_100000210202 [0,1,0,0,0,0|2,0,1]=4 1107 B11R1.24 CCNCc1ccnc(c1)F 270004a_100015525214_100000068331 [0,1,0,0,0,0|2,0,1]=4 1108 B11R1.24 CCNCc1ccnc(c1)F 34a_100015188774_100000210202 [0,1,0,0,0,0|2,0,1]=4 1109 B11R1.24 CCNCc1ccnc(c1)O 207a_100015525214_100000688113 [0,1,0,0,0,0|2,0,1]=4 1110 B11R1.24 CCNCc1cncc(c1)Br 207a_100015525214_100000687066 [0,1,0,0,0,0|2,0,1]=4 1111 B11R1.24 CCNCc1cncc(c1)Br 2230a_100015525214_100000738771 [0,1,0,0,0,0|2,0,1]=4 1112 B11R1.24 CCNCc1cncc(c1)Br 270004a_100015525214_100000687066 [0,1,0,0,0,0|2,0,1]=4 1113 B11R1.24 CCNCc1cncc(c1)C 207a_100015525214_100011998712 [0,1,0,0,0,0|2,0,1]=4 1114 B11R1.24 CCNCc1cncc(c1)C 2230a_100000692839_100000210202 [0,1,0,0,0,0|2,0,1]=4 1115 B11R1.24 CCNCc1cncc(c1)C 2230a_100015525214_100000716715 [0,1,0,0,0,0|2,0,1]=4 1116 B11R1.24 CCNCc1cncc(c1)C 270004a_100015525214_100011998712 [0,1,0,0,0,0|2,0,1]=4 1117 B11R1.24 CCNCc1cncc(c1)C 34a_100000692839_100000210202 [0,1,0,0,0,0|2,0,1]=4 1118 B11R1.24 CCNCc1cncc(c1)Cl 207a_100015525214_100000088910 [0,1,0,0,0,0|2,0,1]=4 1119 B11R1.24 CCNCc1cncc(c1)Cl 2230a_100015525214_100016992070 [0,1,0,0,0,0|2,0,1]=4 1120 B11R1.24 CCNCc1cncc(c1)Cl 2230a_200020614424_100000210202 [0,1,0,0,0,0|2,0,1]=4 1121 B11R1.24 CCNCc1cncc(c1)Cl 270004a_100015525214_100000088910 [0,1,0,0,0,0|2,0,1]=4 1122 B11R1.24 CCNCc1cncc(c1)F 207a_100015525214_100011361476 [0,1,0,0,0,0|2,0,1]=4 1123 B11R1.24 CCNCc1cncc(c1)F 2230a_100011962886_100000210202 [0,1,0,0,0,0|2,0,1]=4 1124 B11R1.24 CCNCc1cncc(c1)F 2230a_100015525214_100000725299 [0,1,0,0,0,0|2,0,1]=4 1125 B11R1.24 CCNCc1cncc(c1)F 270004a_100015525214_100011361476 [0,1,0,0,0,0|2,0,1]=4 1126 B11R1.24 CCNCc1cncc(c1)F 34a_100011962886_100000210202 [0,1,0,0,0,0|2,0,1]=4 1127 B11R1.24 CCNCc1cncc(c1)O 207a_100015525214_100012187055 [0,1,0,0,0,0|2,0,1]=4 1128 B11R1.24 CCNCc1cncc(c1)O 270004a_100015525214_100012187055 [0,1,0,0,0,0|2,0,1]=4 1129 B11R1.24 CCOCc1cccc(c1)Br 34a_100000687537_100000210202 [0,1,0,0,0,0|2,0,1]=4 1130 B11R1.24 CCOCc1cccc(c1)Br 34a_100121572206_100000698116 [0,1,0,0,0,0|2,0,1]=4 1131 B11R1.24 CCOCc1cccc(c1)Br 7a_100000687537_100000210202 [0,1,0,0,0,0|2,0,1]=4 1132 B11R1.24 CCOCc1cccc(c1)C 34a_100011217746_100000210202 [0,1,0,0,0,0|2,0,1]=4 1133 B11R1.24 CCOCc1cccc(c1)C 34a_100121572206_100000211840 [0,1,0,0,0,0|2,0,1]=4 1134 B11R1.24 CCOCc1cccc(c1)C 7a_100011217746_100000210202 [0,1,0,0,0,0|2,0,1]=4 1135 B11R1.24 CCOCc1cccc(c1)Cl 34a_100000241301_100000210202 [0,1,0,0,0,0|2,0,1]=4 1136 B11R1.24 CCOCc1cccc(c1)Cl 34a_100121572206_100000187163 [0,1,0,0,0,0|2,0,1]=4 1137 B11R1.24 CCOCc1cccc(c1)Cl 7a_100000241301_100000210202 [0,1,0,0,0,0|2,0,1]=4 1138 B11R1.24 CCOCc1cccc(c1)F 34a_100000210976_100000210202 [0,1,0,0,0,0|2,0,1]=4 1139 B11R1.24 CCOCc1cccc(c1)F 34a_100121572206_100000187166 [0,1,0,0,0,0|2,0,1]=4 1140 B11R1.24 CCOCc1cccc(c1)F 7a_100000210976_100000210202 [0,1,0,0,0,0|2,0,1]=4 1141 B11R1.24 CCOCc1cccc(c1)I 34a_100011215336_100000210202 [0,1,0,0,0,0|2,0,1]=4 1142 B11R1.24 CCOCc1cccc(c1)I 34a_100121572206_100011218688 [0,1,0,0,0,0|2,0,1]=4 1143 B11R1.24 CCOCc1cccc(c1)I 7a_100011215336_100000210202 [0,1,0,0,0,0|2,0,1]=4 1144 B11R1.24 CCOCc1cccc(c1)N 34a_100000211919_100000210202 [0,1,0,0,0,0|2,0,1]=4 1145 B11R1.24 CCOCc1cccc(c1)O 271570a_203496583355_100011493694 [0,1,0,0,0,0|2,0,1]=4 1146 B11R1.24 CCOCc1cccc(c1)O 34a_100121572206_100011660834 [0,1,0,0,0,0|2,0,1]=4 1147 B11R1.24 CCSCc1cccc(c1)Br 62a_100000210202_100000211773 [0,1,0,0,0,0|2,0,1]=4 1148 B11R1.24 CCSCc1cccc(c1)Br 62a_100000211773_100000210202 [0,1,0,0,0,0|2,0,1]=4 1149 B11R1.24 CCSCc1cccc(c1)C 62a_100000210202_100000211840 [0,1,0,0,0,0|2,0,1]=4 1150 B11R1.24 CCSCc1cccc(c1)C 62a_100000211840_100000210202 [0,1,0,0,0,0|2,0,1]=4 1151 B11R1.24 CCSCc1cccc(c1)Cl 62a_100000187163_100000210202 [0,1,0,0,0,0|2,0,1]=4 1152 B11R1.24 CCSCc1cccc(c1)Cl 62a_100000210202_100000187163 [0,1,0,0,0,0|2,0,1]=4 1153 B11R1.24 CCSCc1cccc(c1)F 62a_100000210202_100000230114 [0,1,0,0,0,0|2,0,1]=4 1154 B11R1.24 CCSCc1cccc(c1)F 62a_100000230114_100000210202 [0,1,0,0,0,0|2,0,1]=4 1155 B11R1.24 CCSCc1cccc(c1)I 62a_100000210202_100011218688 [0,1,0,0,0,0|2,0,1]=4 1156 B11R1.24 CCSCc1cccc(c1)I 62a_100011218688_100000210202 [0,1,0,0,0,0|2,0,1]=4 1157 B11R1.24 CCSCc1cccc(c1)O 62a_100000210202_100011660834 [0,1,0,0,0,0|2,0,1]=4 1158 B11R1.24 CCSCc1cccc(c1)O 62a_100011660834_100000210202 [0,1,0,0,0,0|2,0,1]=4 1159 B11R1.24 CNCCc1cccc(c1)Br 2230a_100011207229_200000210301 [0,1,0,0,0,0|3,0,0]=4 1160 B11R1.24 CNCCc1cccc(c1)Br 2230a_106832991635_100011740638 [0,1,0,0,0,0|3,0,0]=4 1161 B11R1.24 CNCCc1cccc(c1)Br 34a_100011207229_200000210301 [0,1,0,0,0,0|3,0,0]=4 1162 B11R1.24 CNCCc1cccc(c1)Br 34a_100102657272_100011740638 [0,1,0,0,0,0|3,0,0]=4 1163 B11R1.24 CNCCc1cccc(c1)Br 7a_106832991635_100011740638 [0,1,0,0,0,0|3,0,0]=4 1164 B11R1.24 CNCCc1cccc(c1)C 2230a_100000749837_200000210301 [0,1,0,0,0,0|3,0,0]=4 1165 B11R1.24 CNCCc1cccc(c1)C 2230a_106832991635_100011713685 [0,1,0,0,0,0|3,0,0]=4 1166 B11R1.24 CNCCc1cccc(c1)C 34a_100000749837_200000210301 [0,1,0,0,0,0|3,0,0]=4 1167 B11R1.24 CNCCc1cccc(c1)C 34a_100102657272_100011713685 [0,1,0,0,0,0|3,0,0]=4 1168 B11R1.24 CNCCc1cccc(c1)C 7a_106832991635_100011713685 [0,1,0,0,0,0|3,0,0]=4 1169 B11R1.24 CNCCc1cccc(c1)Cl 2230a_100000185263_200000210301 [0,1,0,0,0,0|3,0,0]=4 1170 B11R1.24 CNCCc1cccc(c1)Cl 2230a_106832991635_100011713710 [0,1,0,0,0,0|3,0,0]=4 1171 B11R1.24 CNCCc1cccc(c1)Cl 34a_100000185263_200000210301 [0,1,0,0,0,0|3,0,0]=4 1172 B11R1.24 CNCCc1cccc(c1)Cl 34a_100102657272_100011713710 [0,1,0,0,0,0|3,0,0]=4 1173 B11R1.24 CNCCc1cccc(c1)Cl 7a_106832991635_100011713710 [0,1,0,0,0,0|3,0,0]=4 1174 B11R1.24 CNCCc1cccc(c1)F 2230a_100000205154_200000210301 [0,1,0,0,0,0|3,0,0]=4 1175 B11R1.24 CNCCc1cccc(c1)F 2230a_106832991635_100011217235 [0,1,0,0,0,0|3,0,0]=4 1176 B11R1.24 CNCCc1cccc(c1)F 34a_100000205154_200000210301 [0,1,0,0,0,0|3,0,0]=4 1177 B11R1.24 CNCCc1cccc(c1)F 34a_100102657272_100011217235 [0,1,0,0,0,0|3,0,0]=4 1178 B11R1.24 CNCCc1cccc(c1)F 7a_106832991635_100011217235 [0,1,0,0,0,0|3,0,0]=4 1179 B11R1.24 CNCCc1cccc(c1)O 2230a_100000747277_200000210301 [0,1,0,0,0,0|3,0,0]=4 1180 B11R1.24 CNCCc1cccc(c1)O 34a_100000747277_200000210301 [0,1,0,0,0,0|3,0,0]=4 1181 B11R1.24 COCCc1cccc(c1)Br 34a_100011217444_200000210301 [0,1,0,0,0,0|3,0,0]=4 1182 B11R1.24 COCCc1cccc(c1)Br 34a_100138415774_100011740638 [0,1,0,0,0,0|3,0,0]=4 1183 B11R1.24 COCCc1cccc(c1)Br 7a_100011217444_200000210301 [0,1,0,0,0,0|3,0,0]=4 1184 B11R1.24 COCCc1cccc(c1)C 34a_100011217157_200000210301 [0,1,0,0,0,0|3,0,0]=4 1185 B11R1.24 COCCc1cccc(c1)C 34a_100138415774_100011713685 [0,1,0,0,0,0|3,0,0]=4 1186 B11R1.24 COCCc1cccc(c1)C 7a_100011217157_200000210301 [0,1,0,0,0,0|3,0,0]=4 1187 B11R1.24 COCCc1cccc(c1)Cl 34a_100000754733_200000210301 [0,1,0,0,0,0|3,0,0]=4 1188 B11R1.24 COCCc1cccc(c1)Cl 34a_100138415774_100011713710 [0,1,0,0,0,0|3,0,0]=4 1189 B11R1.24 COCCc1cccc(c1)Cl 7a_100000754733_200000210301 [0,1,0,0,0,0|3,0,0]=4 1190 B11R1.24 COCCc1cccc(c1)F 34a_100000763591_200000210301 [0,1,0,0,0,0|3,0,0]=4 1191 B11R1.24 COCCc1cccc(c1)F 34a_100138415774_100011217235 [0,1,0,0,0,0|3,0,0]=4 1192 B11R1.24 COCCc1cccc(c1)F 7a_100000763591_200000210301 [0,1,0,0,0,0|3,0,0]=4 1193 B11R1.24 COCCc1cccc(c1)N 34a_100011996697_200000210301 [0,1,0,0,0,0|3,0,0]=4 1194 B11R1.24 CSCCc1cccc(c1)Br 62a_100011740638_200000210301 [0,1,0,0,0,0|3,0,0]=4 1195 B11R1.24 CSCCc1cccc(c1)Br 62a_200000210301_100011740638 [0,1,0,0,0,0|3,0,0]=4 1196 B11R1.24 CSCCc1cccc(c1)C 62a_100011713685_200000210301 [0,1,0,0,0,0|3,0,0]=4 1197 B11R1.24 CSCCc1cccc(c1)C 62a_200000210301_100011713685 [0,1,0,0,0,0|3,0,0]=4 1198 B11R1.24 CSCCc1cccc(c1)Cl 62a_100011713710_200000210301 [0,1,0,0,0,0|3,0,0]=4 1199 B11R1.24 CSCCc1cccc(c1)Cl 62a_200000210301_100011713710 [0,1,0,0,0,0|3,0,0]=4 1200 B11R1.24 CSCCc1cccc(c1)F 62a_100011217235_200000210301 [0,1,0,0,0,0|3,0,0]=4 1201 B11R1.24 CSCCc1cccc(c1)F 62a_200000210301_100011217235 [0,1,0,0,0,0|3,0,0]=4 1202 B11R1.24 C[n+]1cccc(c1)SCC=O 62a_100009996589_200015260668 [0,1,0,0,0,0|3,0,0]=4 1203 B11R1.24 C[n+]1cccc(c1)SCC=O 62a_200015260668_100009996589 [0,1,0,0,0,0|3,0,0]=4 1204 B11R1.24 Cc1cc(ccn1)CNCF 34a_100011934566_100015361967 [0,1,0,0,0,0|2,0,1]=4 1205 B11R1.24 Cc1cc(ccn1)OCC=O 34a_100000688365_200009817547 [0,1,0,0,0,0|3,0,0]=4 1206 B11R1.24 Cc1cc(ccn1)SCC=O 62a_100000758586_200015260668 [0,1,0,0,0,0|3,0,0]=4 1207 B11R1.24 Cc1cc(ccn1)SCC=O 62a_200015260668_100000758586 [0,1,0,0,0,0|3,0,0]=4 1208 B11R1.24 Cc1cccc(c1)CCN[13CH3] 2230a_100000749837_200025704644 [0,1,0,0,0,0|3,0,0]=4 1209 B11R1.24 Cc1cccc(c1)CCN[13CH3] 34a_100000749837_200025704644 [0,1,0,0,0,0|3,0,0]=4 1210 B11R1.24 Cc1cccc(c1)CCO[13CH3] 34a_100011217157_200025704644 [0,1,0,0,0,0|3,0,0]=4 1211 B11R1.24 Cc1cccc(c1)CCO[13CH3] 7a_100011217157_200025704644 [0,1,0,0,0,0|3,0,0]=4 1212 B11R1.24 Cc1cccc(c1)CCS[13CH3] 62a_100011713685_200025704644 [0,1,0,0,0,0|3,0,0]=4 1213 B11R1.24 Cc1cccc(c1)CCS[13CH3] 62a_200025704644_100011713685 [0,1,0,0,0,0|3,0,0]=4 1214 B11R1.24 Cc1cccc(c1)CNCF 34a_100000185548_100015361967 [0,1,0,0,0,0|1,0,1]=3 1215 B11R1.24 Cc1cccc(c1)COCF 34a_100011217746_100015361967 [0,1,0,0,0,0|2,0,1]=4 1216 B11R1.24 Cc1cccc(c1)COCF 7a_100011217746_100015361967 [0,1,0,0,0,0|2,0,1]=4 1217 B11R1.24 Cc1cccc(c1)CSCF 62a_100000211840_100015361967 [0,1,0,0,0,0|2,0,1]=4 1218 B11R1.24 Cc1cccc(c1)CSCF 62a_100015361967_100000211840 [0,1,0,0,0,0|2,0,1]=4 1219 B11R1.24 Cc1cccc(c1)NCC=O 2230a_100000188690_200015260668 [0,1,0,0,0,0|2,0,0]=3 1220 B11R1.24 Cc1cccc(c1)NCC=O 34a_100000188690_200009817547 [0,1,0,0,0,0|2,0,0]=3 1221 B11R1.24 Cc1cccc(c1)OCC=O 34a_100000210337_200009817547 [0,1,0,0,0,0|2,0,0]=3 1222 B11R1.24 Cc1cccc(c1)OCC=O 7a_100000210337_200015260668 [0,1,0,0,0,0|2,0,0]=3 1223 B11R1.24 Cc1cccc(c1)SCC=O 62a_100011215228_200015260668 [0,1,0,0,0,0|2,0,0]=3 1224 B11R1.24 Cc1cccc(c1)SCC=O 62a_200015260668_100011215228 [0,1,0,0,0,0|2,0,0]=3 1225 B11R1.24 Cc1cccc(n1)CNCF 34a_100000701342_100015361967 [0,1,0,0,0,0|2,0,1]=4 1226 B11R1.24 Cc1cccc(n1)SCC=O 62a_100000742759_200015260668 [0,1,0,0,0,0|3,0,0]=4 1227 B11R1.24 Cc1cccc(n1)SCC=O 62a_200015260668_100000742759 [0,1,0,0,0,0|3,0,0]=4 1228 B11R1.24 Cc1ccnc(c1)SCC=O 62a_100000750283_200015260668 [0,1,0,0,0,0|3,0,0]=4 1229 B11R1.24 Cc1ccnc(c1)SCC=O 62a_200015260668_100000750283 [0,1,0,0,0,0|3,0,0]=4 1230 B11R1.24 Cc1cncc(c1)CNCF 34a_100000692839_100015361967 [0,1,0,0,0,0|2,0,1]=4 1231 B11R1.24 Cc1cncc(c1)OCC=O 34a_100011830280_200009817547 [0,1,0,0,0,0|3,0,0]=4 1232 B11R1.24 Cc1cncc(c1)OCC=O 7a_100011830280_200015260668 [0,1,0,0,0,0|3,0,0]=4 1233 B11R1.24 Cc1cncc(c1)SCC=O 62a_100000760492_200015260668 [0,1,0,0,0,0|3,0,0]=4 1234 B11R1.24 Cc1cncc(c1)SCC=O 62a_200015260668_100000760492 [0,1,0,0,0,0|3,0,0]=4 1235 B11R1.24 FCNCc1cccc(c1)Br 34a_100000174977_100015361967 [0,1,0,0,0,0|1,0,1]=3 1236 B11R1.24 FCNCc1cccc(c1)Cl 34a_100000174878_100015361967 [0,1,0,0,0,0|1,0,1]=3 1237 B11R1.24 FCNCc1cccc(c1)F 34a_100000174948_100015361967 [0,1,0,0,0,0|1,0,1]=3 1238 B11R1.24 FCNCc1cccc(c1)I 34a_100000106179_100015361967 [0,1,0,0,0,0|1,0,1]=3 1239 B11R1.24 FCNCc1cccc(n1)F 34a_100015188798_100015361967 [0,1,0,0,0,0|2,0,1]=4 1240 B11R1.24 FCNCc1ccnc(c1)Br 34a_100025757509_100015361967 [0,1,0,0,0,0|2,0,1]=4 1241 B11R1.24 FCNCc1ccnc(c1)Cl 34a_100015205668_100015361967 [0,1,0,0,0,0|2,0,1]=4 1242 B11R1.24 FCNCc1ccnc(c1)F 34a_100015188774_100015361967 [0,1,0,0,0,0|2,0,1]=4 1243 B11R1.24 FCNCc1cncc(c1)F 34a_100011962886_100015361967 [0,1,0,0,0,0|2,0,1]=4 1244 B11R1.24 FCOCc1cccc(c1)Br 34a_100000687537_100015361967 [0,1,0,0,0,0|2,0,1]=4 1245 B11R1.24 FCOCc1cccc(c1)Br 7a_100000687537_100015361967 [0,1,0,0,0,0|2,0,1]=4 1246 B11R1.24 FCOCc1cccc(c1)Cl 34a_100000241301_100015361967 [0,1,0,0,0,0|2,0,1]=4 1247 B11R1.24 FCOCc1cccc(c1)Cl 7a_100000241301_100015361967 [0,1,0,0,0,0|2,0,1]=4 1248 B11R1.24 FCOCc1cccc(c1)F 34a_100000210976_100015361967 [0,1,0,0,0,0|2,0,1]=4 1249 B11R1.24 FCOCc1cccc(c1)F 7a_100000210976_100015361967 [0,1,0,0,0,0|2,0,1]=4 1250 B11R1.24 FCOCc1cccc(c1)I 34a_100011215336_100015361967 [0,1,0,0,0,0|2,0,1]=4 1251 B11R1.24 FCOCc1cccc(c1)I 7a_100011215336_100015361967 [0,1,0,0,0,0|2,0,1]=4 1252 B11R1.24 FCSCc1cccc(c1)Br 62a_100000211773_100015361967 [0,1,0,0,0,0|2,0,1]=4 1253 B11R1.24 FCSCc1cccc(c1)Br 62a_100015361967_100000211773 [0,1,0,0,0,0|2,0,1]=4 1254 B11R1.24 FCSCc1cccc(c1)Cl 62a_100000187163_100015361967 [0,1,0,0,0,0|2,0,1]=4 1255 B11R1.24 FCSCc1cccc(c1)Cl 62a_100015361967_100000187163 [0,1,0,0,0,0|2,0,1]=4 1256 B11R1.24 FCSCc1cccc(c1)F 62a_100000230114_100015361967 [0,1,0,0,0,0|2,0,1]=4 1257 B11R1.24 FCSCc1cccc(c1)F 62a_100015361967_100000230114 [0,1,0,0,0,0|2,0,1]=4 1258 B11R1.24 FCSCc1cccc(c1)I 62a_100011218688_100015361967 [0,1,0,0,0,0|2,0,1]=4 1259 B11R1.24 FCSCc1cccc(c1)I 62a_100015361967_100011218688 [0,1,0,0,0,0|2,0,1]=4 1260 B11R1.24 N#CCCc1cccc(c1)O 271570a_203496583355_100011219771 [0,1,0,0,0,0|2,0,1]=4 1261 B11R1.24 N#CSCc1cccc(c1)O 271570a_203496583355_200010199461 [0,1,0,0,0,0|2,0,1]=4 1262 B11R1.24 NCCCc1cccc(c1)O 271570a_203496583355_100000753791 [0,1,0,0,0,0|2,0,1]=4 1263 B11R1.24 Nc1cc(ccn1)OCC=O 34a_100011834064_200009817547 [0,1,0,0,0,0|3,0,0]=4 1264 B11R1.24 Nc1cc(ccn1)SCC=O 62a_100000049665_200015260668 [0,1,0,0,0,0|3,0,0]=4 1265 B11R1.24 Nc1cc(ccn1)SCC=O 62a_200015260668_100000049665 [0,1,0,0,0,0|3,0,0]=4 1266 B11R1.24 Nc1cccc(c1)COCF 34a_100000211919_100015361967 [0,1,0,0,0,0|2,0,1]=4 1267 B11R1.24 Nc1cccc(c1)OCC=O 34a_100000210217_200009817547 [0,1,0,0,0,0|2,0,0]=3 1268 B11R1.24 Nc1cccc(c1)SCC=O 62a_100000210019_200015260668 [0,1,0,0,0,0|2,0,0]=3 1269 B11R1.24 Nc1cccc(c1)SCC=O 62a_200015260668_100000210019 [0,1,0,0,0,0|2,0,0]=3 1270 B11R1.24 Nc1cccc(n1)SCC=O 62a_100000740741_200015260668 [0,1,0,0,0,0|3,0,0]=4 1271 B11R1.24 Nc1cccc(n1)SCC=O 62a_200015260668_100000740741 [0,1,0,0,0,0|3,0,0]=4 1272 B11R1.24 Nc1ccnc(c1)SCC=O 62a_100009814236_200015260668 [0,1,0,0,0,0|3,0,0]=4 1273 B11R1.24 Nc1ccnc(c1)SCC=O 62a_200015260668_100009814236 [0,1,0,0,0,0|3,0,0]=4 1274 B11R1.24 Nc1cncc(c1)OCC=O 34a_100011997051_200009817547 [0,1,0,0,0,0|3,0,0]=4 1275 B11R1.24 Nc1cncc(c1)SCC=O 62a_100000687067_200015260668 [0,1,0,0,0,0|3,0,0]=4 1276 B11R1.24 Nc1cncc(c1)SCC=O 62a_200015260668_100000687067 [0,1,0,0,0,0|3,0,0]=4 1277 B11R1.24 O=CCNc1cccc(c1)Br 34a_100000210019_200009817547 [0,1,0,0,0,0|2,0,0]=3 1278 B11R1.24 O=CCNc1cccc(c1)Cl 34a_100000185859_200009817547 [0,1,0,0,0,0|2,0,0]=3 1279 B11R1.24 O=CCNc1cccc(c1)F 34a_100000210047_200009817547 [0,1,0,0,0,0|2,0,0]=3 1280 B11R1.24 O=CCNc1cccc(c1)I 34a_100000211102_200009817547 [0,1,0,0,0,0|2,0,0]=3 1281 B11R1.24 O=CCNc1cccc(c1)O 34a_100000210217_200009817547 [0,1,0,0,0,0|2,0,0]=3 1282 B11R1.24 O=CCOc1cc[nH]c(=O)c1 34a_100000032262_200009817547 [0,1,0,0,0,0|3,0,0]=4 1283 B11R1.24 O=CCOc1ccc[n+](c1)[O-] 34a_100000039713_200009817547 [0,1,0,0,0,0|3,0,0]=4 1284 B11R1.24 O=CCOc1ccc[n+](c1)[O-] 7a_100000039713_200015260668 [0,1,0,0,0,0|3,0,0]=4 1285 B11R1.24 O=CCOc1cccc(=O)[nH]1 34a_100000033347_200009817547 [0,1,0,0,0,0|3,0,0]=4 1286 B11R1.24 O=CCOc1cccc(c1)Br 34a_100000210342_200009817547 [0,1,0,0,0,0|2,0,0]=3 1287 B11R1.24 O=CCOc1cccc(c1)Br 7a_100000210342_200015260668 [0,1,0,0,0,0|2,0,0]=3 1288 B11R1.24 O=CCOc1cccc(c1)Cl 34a_100000210295_200009817547 [0,1,0,0,0,0|2,0,0]=3 1289 B11R1.24 O=CCOc1cccc(c1)Cl 7a_100000210295_200015260668 [0,1,0,0,0,0|2,0,0]=3 1290 B11R1.24 O=CCOc1cccc(c1)F 34a_100000210426_200009817547 [0,1,0,0,0,0|2,0,0]=3 1291 B11R1.24 O=CCOc1cccc(c1)F 7a_100000210426_200015260668 [0,1,0,0,0,0|2,0,0]=3 1292 B11R1.24 O=CCOc1cccc(c1)I 34a_100000211634_200009817547 [0,1,0,0,0,0|2,0,0]=3 1293 B11R1.24 O=CCOc1cccc(c1)I 7a_100000211634_200015260668 [0,1,0,0,0,0|2,0,0]=3 1294 B11R1.24 O=CCOc1cccc(n1)F 34a_100011432558_200009817547 [0,1,0,0,0,0|3,0,0]=4 1295 B11R1.24 O=CCOc1ccnc(c1)Cl 34a_100000762945_200009817547 [0,1,0,0,0,0|3,0,0]=4 1296 B11R1.24 O=CCOc1ccnc(c1)F 34a_100000732698_200009817547 [0,1,0,0,0,0|3,0,0]=4 1297 B11R1.24 O=CCOc1cncc(c1)Br 34a_100000754920_200009817547 [0,1,0,0,0,0|3,0,0]=4 1298 B11R1.24 O=CCOc1cncc(c1)Br 7a_100000754920_200015260668 [0,1,0,0,0,0|3,0,0]=4 1299 B11R1.24 O=CCOc1cncc(c1)Cl 7a_100000032511_200015260668 [0,1,0,0,0,0|3,0,0]=4 1300 B11R1.24 O=CCOc1cncc(c1)F 34a_100011830296_200009817547 [0,1,0,0,0,0|3,0,0]=4 1301 B11R1.24 O=CCOc1cncc(c1)F 7a_100011830296_200015260668 [0,1,0,0,0,0|3,0,0]=4 1302 B11R1.24 O=CCSc1cc(=O)cc[nH]1 62a_100009817434_200015260668 [0,1,0,0,0,0|3,0,0]=4 1303 B11R1.24 O=CCSc1cc(ccn1)Cl 62a_100010167805_200015260668 [0,1,0,0,0,0|3,0,0]=4 1304 B11R1.24 O=CCSc1cc(ccn1)Cl 62a_200015260668_100010167805 [0,1,0,0,0,0|3,0,0]=4 1305 B11R1.24 O=CCSc1cc(ccn1)F 62a_100000764206_200015260668 [0,1,0,0,0,0|3,0,0]=4 1306 B11R1.24 O=CCSc1cc(ccn1)F 62a_200015260668_100000764206 [0,1,0,0,0,0|3,0,0]=4 1307 B11R1.24 O=CCSc1cc(ccn1)O 62a_200015260668_100000762945 [0,1,0,0,0,0|3,0,0]=4 1308 B11R1.24 O=CCSc1cc[nH]c(=O)c1 62a_100009816521_200015260668 [0,1,0,0,0,0|3,0,0]=4 1309 B11R1.24 O=CCSc1cc[nH]c(=O)c1 62a_200015260668_100009816521 [0,1,0,0,0,0|3,0,0]=4 1310 B11R1.24 O=CCSc1ccc[n+](c1)[O-] 62a_200015260668_100009815978 [0,1,0,0,0,0|3,0,0]=4 1311 B11R1.24 O=CCSc1cccc(=O)[nH]1 62a_200015260668_100000752884 [0,1,0,0,0,0|3,0,0]=4 1312 B11R1.24 O=CCSc1cccc(c1)Br 62a_100000691529_200015260668 [0,1,0,0,0,0|2,0,0]=3 1313 B11R1.24 O=CCSc1cccc(c1)Br 62a_200015260668_100000691529 [0,1,0,0,0,0|2,0,0]=3 1314 B11R1.24 O=CCSc1cccc(c1)Cl 62a_100000699651_200015260668 [0,1,0,0,0,0|2,0,0]=3 1315 B11R1.24 O=CCSc1cccc(c1)Cl 62a_200015260668_100000699651 [0,1,0,0,0,0|2,0,0]=3 1316 B11R1.24 O=CCSc1cccc(c1)F 62a_100000685547_200015260668 [0,1,0,0,0,0|2,0,0]=3 1317 B11R1.24 O=CCSc1cccc(c1)F 62a_200015260668_100000685547 [0,1,0,0,0,0|2,0,0]=3 1318 B11R1.24 O=CCSc1cccc(c1)O 62a_200015260668_100000211634 [0,1,0,0,0,0|2,0,0]=3 1319 B11R1.24 O=CCSc1cccc(c1)[S] 62a_114929384022_200015260668 [0,1,0,0,0,0|2,0,0]=3 1320 B11R1.24 O=CCSc1cccc(c1)[S] 62a_200015260668_114929384022 [0,1,0,0,0,0|2,0,0]=3 1321 B11R1.24 O=CCSc1cccc(n1)Br 62a_100000684672_200015260668 [0,1,0,0,0,0|3,0,0]=4 1322 B11R1.24 O=CCSc1cccc(n1)Br 62a_200015260668_100000684672 [0,1,0,0,0,0|3,0,0]=4 1323 B11R1.24 O=CCSc1cccc(n1)Cl 62a_100000051397_200015260668 [0,1,0,0,0,0|3,0,0]=4 1324 B11R1.24 O=CCSc1cccc(n1)Cl 62a_200015260668_100000051397 [0,1,0,0,0,0|3,0,0]=4 1325 B11R1.24 O=CCSc1cccc(n1)F 62a_100009815982_200015260668 [0,1,0,0,0,0|3,0,0]=4 1326 B11R1.24 O=CCSc1cccc(n1)F 62a_200015260668_100009815982 [0,1,0,0,0,0|3,0,0]=4 1327 B11R1.24 O=CCSc1ccnc(c1)Br 62a_100009814637_200015260668 [0,1,0,0,0,0|3,0,0]=4 1328 B11R1.24 O=CCSc1ccnc(c1)Br 62a_200015260668_100009814637 [0,1,0,0,0,0|3,0,0]=4 1329 B11R1.24 O=CCSc1ccnc(c1)Cl 62a_100000035001_200015260668 [0,1,0,0,0,0|3,0,0]=4 1330 B11R1.24 O=CCSc1ccnc(c1)Cl 62a_200015260668_100000035001 [0,1,0,0,0,0|3,0,0]=4 1331 B11R1.24 O=CCSc1ccnc(c1)F 62a_100009816116_200015260668 [0,1,0,0,0,0|3,0,0]=4 1332 B11R1.24 O=CCSc1ccnc(c1)F 62a_200015260668_100009816116 [0,1,0,0,0,0|3,0,0]=4 1333 B11R1.24 O=CCSc1cncc(c1)Br 62a_100000728054_200015260668 [0,1,0,0,0,0|3,0,0]=4 1334 B11R1.24 O=CCSc1cncc(c1)Br 62a_200015260668_100000728054 [0,1,0,0,0,0|3,0,0]=4 1335 B11R1.24 O=CCSc1cncc(c1)Cl 62a_100000049639_200015260668 [0,1,0,0,0,0|3,0,0]=4 1336 B11R1.24 O=CCSc1cncc(c1)Cl 62a_200015260668_100000049639 [0,1,0,0,0,0|3,0,0]=4 1337 B11R1.24 O=CCSc1cncc(c1)F 62a_100000744099_200015260668 [0,1,0,0,0,0|3,0,0]=4 1338 B11R1.24 O=CCSc1cncc(c1)F 62a_200015260668_100000744099 [0,1,0,0,0,0|3,0,0]=4 1339 B11R1.24 O=CCSc1cncc(c1)O 62a_100000754920_200015260668 [0,1,0,0,0,0|3,0,0]=4 1340 B11R1.24 O=CCSc1cncc(c1)O 62a_200015260668_100000754920 [0,1,0,0,0,0|3,0,0]=4 1341 B11R1.24 O=CNNc1cccc(n1)O 271570a_203496583355_200000117525 [0,1,0,0,0,0|2,0,0]=3 1342 B11R1.24 OCCCc1cccc(c1)O 271570a_203496583355_100011709248 [0,1,0,0,0,0|1,0,2]=4 1343 B11R1.24 Oc1cccc(c1)CNCF 34a_100000743036_100015361967 [0,1,0,0,0,0|1,0,1]=3 1344 B11R1.24 Oc1cccc(c1)CSCF 62a_100011660834_100015361967 [0,1,0,0,0,0|2,0,1]=4 1345 B11R1.24 Oc1cccc(c1)CSCF 62a_100015361967_100011660834 [0,1,0,0,0,0|2,0,1]=4 1346 B11R1.24 [13CH3]NCCc1cccc(c1)Br 2230a_100011207229_200025704644 [0,1,0,0,0,0|3,0,0]=4 1347 B11R1.24 [13CH3]NCCc1cccc(c1)Br 34a_100011207229_200025704644 [0,1,0,0,0,0|3,0,0]=4 1348 B11R1.24 [13CH3]NCCc1cccc(c1)Cl 2230a_100000185263_200025704644 [0,1,0,0,0,0|3,0,0]=4 1349 B11R1.24 [13CH3]NCCc1cccc(c1)Cl 34a_100000185263_200025704644 [0,1,0,0,0,0|3,0,0]=4 1350 B11R1.24 [13CH3]NCCc1cccc(c1)F 2230a_100000205154_200025704644 [0,1,0,0,0,0|3,0,0]=4 1351 B11R1.24 [13CH3]NCCc1cccc(c1)F 34a_100000205154_200025704644 [0,1,0,0,0,0|3,0,0]=4 1352 B11R1.24 [13CH3]NCCc1cccc(c1)O 2230a_100000747277_200025704644 [0,1,0,0,0,0|3,0,0]=4 1353 B11R1.24 [13CH3]NCCc1cccc(c1)O 34a_100000747277_200025704644 [0,1,0,0,0,0|3,0,0]=4 1354 B11R1.24 [13CH3]OCCc1cccc(c1)Br 34a_100011217444_200025704644 [0,1,0,0,0,0|3,0,0]=4 1355 B11R1.24 [13CH3]OCCc1cccc(c1)Br 7a_100011217444_200025704644 [0,1,0,0,0,0|3,0,0]=4 1356 B11R1.24 [13CH3]OCCc1cccc(c1)Cl 34a_100000754733_200025704644 [0,1,0,0,0,0|3,0,0]=4 1357 B11R1.24 [13CH3]OCCc1cccc(c1)Cl 7a_100000754733_200025704644 [0,1,0,0,0,0|3,0,0]=4 1358 B11R1.24 [13CH3]OCCc1cccc(c1)F 34a_100000763591_200025704644 [0,1,0,0,0,0|3,0,0]=4 1359 B11R1.24 [13CH3]OCCc1cccc(c1)F 7a_100000763591_200025704644 [0,1,0,0,0,0|3,0,0]=4 1360 B11R1.24 [13CH3]OCCc1cccc(c1)N 34a_100011996697_200025704644 [0,1,0,0,0,0|3,0,0]=4 1361 B11R1.24 [13CH3]SCCc1cccc(c1)Br 62a_100011740638_200025704644 [0,1,0,0,0,0|3,0,0]=4 1362 B11R1.24 [13CH3]SCCc1cccc(c1)Br 62a_200025704644_100011740638 [0,1,0,0,0,0|3,0,0]=4 1363 B11R1.24 [13CH3]SCCc1cccc(c1)Cl 62a_100011713710_200025704644 [0,1,0,0,0,0|3,0,0]=4 1364 B11R1.24 [13CH3]SCCc1cccc(c1)Cl 62a_200025704644_100011713710 [0,1,0,0,0,0|3,0,0]=4 1365 B11R1.24 [13CH3]SCCc1cccc(c1)F 62a_100011217235_200025704644 [0,1,0,0,0,0|3,0,0]=4 1366 B11R1.24 [13CH3]SCCc1cccc(c1)F 62a_200025704644_100011217235 [0,1,0,0,0,0|3,0,0]=4 1367 B11R1.28 BrCCOCc1ccccc1 34a_100000211926_100015291786 [0,1,0,0,0,0|2,0,1]=4 1368 B11R1.28 C#CCCNc1ccccc1 34a_100000106764_100000688953 [0,1,0,0,0,0|2,0,1]=4 1369 B11R1.28 C#CCCOc1ccccc1 34a_100000210340_100000688953 [0,1,0,0,0,0|2,0,1]=4 1370 B11R1.28 C#CCCOc1ccccc1 7a_100000210340_100000688953 [0,1,0,0,0,0|2,0,1]=4 1371 B11R1.28 C#CCCSc1ccccc1 62a_100000688953_100000041952 [0,1,0,0,0,0|2,0,1]=4 1372 B11R1.28 C#CCCSc1ccccc1 62a_100000719477_100000688953 [0,1,0,0,0,0|2,0,1]=4 1373 B11R1.28 C#CCNCc1ccccc1 2230a_100015324214_100000038162 [0,1,0,0,0,0|1,0,1]=3 1374 B11R1.28 C#CCNCc1ccccc1 34a_100000212058_100015291786 [0,1,0,0,0,0|1,0,1]=3 1375 B11R1.28 C#CCNCc1ccccc1 34a_100015324214_100000184674 [0,1,0,0,0,0|1,0,1]=3 1376 B11R1.28 C#CCNCc1ccccn1 34a_100000212058_100000721315 [0,1,0,0,0,0|2,0,1]=4 1377 B11R1.28 C#CCNCc1cccnc1 34a_100000212058_100000733263 [0,1,0,0,0,0|2,0,1]=4 1378 B11R1.28 C#CCOCc1ccccc1 34a_100000210247_100015291786 [0,1,0,0,0,0|2,0,1]=4 1379 B11R1.28 C#CCOCc1ccccc1 34a_100000210790_100000184674 [0,1,0,0,0,0|2,0,1]=4 1380 B11R1.28 C#CCOCc1ccccc1 7a_100000210790_100000038162 [0,1,0,0,0,0|2,0,1]=4 1381 B11R1.28 C#CCSCc1ccccc1 62a_100000038162_100015291786 [0,1,0,0,0,0|2,0,1]=4 1382 B11R1.28 C/C=C/CNc1ccccc1 34a_100000106764_100102629194 [0,1,0,0,0,0|2,0,0]=3 1383 B11R1.28 C/C=C/COc1ccccc1 34a_100000210340_100102629194 [0,1,0,0,0,0|2,0,0]=3 1384 B11R1.28 C/C=C/COc1ccccc1 7a_100000210340_100102629194 [0,1,0,0,0,0|2,0,0]=3 1385 B11R1.28 C/C=C/COc1cccnc1 34a_100000210849_100102629194 [0,1,0,0,0,0|3,0,0]=4 1386 B11R1.28 C/C=C/COc1cccnc1 7a_100000210849_100102629194 [0,1,0,0,0,0|3,0,0]=4 1387 B11R1.28 C/C=C/COc1ccncc1 34a_100000212176_100102629194 [0,1,0,0,0,0|3,0,0]=4 1388 B11R1.28 C/C=C/CSc1ccccc1 62a_100000719477_100102629194 [0,1,0,0,0,0|2,0,0]=3 1389 B11R1.28 C/C=C/CSc1ccccc1 62a_100102629194_100000041952 [0,1,0,0,0,0|2,0,0]=3 1390 B11R1.28 C/C=C/CSc1ccccn1 62a_100011216584_100102629194 [0,1,0,0,0,0|3,0,0]=4 1391 B11R1.28 C/C=C/CSc1ccccn1 62a_100102629194_100011216584 [0,1,0,0,0,0|3,0,0]=4 1392 B11R1.28 C/C=C/CSc1cccnc1 62a_100000210063_100102629194 [0,1,0,0,0,0|3,0,0]=4 1393 B11R1.28 C/C=C/CSc1cccnc1 62a_100102629194_100000210063 [0,1,0,0,0,0|3,0,0]=4 1394 B11R1.28 C/C=C/CSc1ccncc1 62a_100000728582_100102629194 [0,1,0,0,0,0|3,0,0]=4 1395 B11R1.28 C/C=C/CSc1ccncc1 62a_100102629194_100000728582 [0,1,0,0,0,0|3,0,0]=4 1396 B11R1.28 C=CCCNc1ccccc1 34a_100000106764_100000754431 [0,1,0,0,0,0|2,0,0]=3 1397 B11R1.28 C=CCCOc1ccccc1 34a_100000210340_100000754431 [0,1,0,0,0,0|2,0,0]=3 1398 B11R1.28 C=CCCOc1ccccc1 7a_100000210340_100000754431 [0,1,0,0,0,0|2,0,0]=3 1399 B11R1.28 C=CCCOc1cccnc1 34a_100000210849_100000754431 [0,1,0,0,0,0|3,0,0]=4 1400 B11R1.28 C=CCCOc1cccnc1 7a_100000210849_100000754431 [0,1,0,0,0,0|3,0,0]=4 1401 B11R1.28 C=CCCOc1ccncc1 34a_100000212176_100000754431 [0,1,0,0,0,0|3,0,0]=4 1402 B11R1.28 C=CCCSc1ccccc1 62a_100000719477_100000754431 [0,1,0,0,0,0|2,0,0]=3 1403 B11R1.28 C=CCCSc1ccccc1 62a_100000754431_100000041952 [0,1,0,0,0,0|2,0,0]=3 1404 B11R1.28 C=CCCSc1ccccn1 62a_100000754431_100011216584 [0,1,0,0,0,0|3,0,0]=4 1405 B11R1.28 C=CCCSc1ccccn1 62a_100011216584_100000754431 [0,1,0,0,0,0|3,0,0]=4 1406 B11R1.28 C=CCCSc1cccnc1 62a_100000210063_100000754431 [0,1,0,0,0,0|3,0,0]=4 1407 B11R1.28 C=CCCSc1cccnc1 62a_100000754431_100000210063 [0,1,0,0,0,0|3,0,0]=4 1408 B11R1.28 C=CCCSc1ccncc1 62a_100000728582_100000754431 [0,1,0,0,0,0|3,0,0]=4 1409 B11R1.28 C=CCCSc1ccncc1 62a_100000754431_100000728582 [0,1,0,0,0,0|3,0,0]=4 1410 B11R1.28 C=CCNCc1ccccc1 2230a_100015324214_100000210623 [0,1,0,0,0,0|1,0,0]=2 1411 B11R1.28 C=CCNCc1ccccc1 2230a_100020586998_100015291786 [0,1,0,0,0,0|1,0,0]=2 1412 B11R1.28 C=CCNCc1ccccc1 270004a_100020586998_100015611070 [0,1,0,0,0,0|1,0,0]=2 1413 B11R1.28 C=CCNCc1ccccc1 34a_100015324214_100015514636 [0,1,0,0,0,0|1,0,0]=2 1414 B11R1.28 C=CCNCc1ccccn1 2230a_100020586998_100000721315 [0,1,0,0,0,0|2,0,0]=3 1415 B11R1.28 C=CCNCc1ccccn1 270004a_100020586998_100000209966 [0,1,0,0,0,0|2,0,0]=3 1416 B11R1.28 C=CCNCc1cccnc1 2230a_100020586998_100000741622 [0,1,0,0,0,0|2,0,0]=3 1417 B11R1.28 C=CCNCc1cccnc1 270004a_100020586998_100000209961 [0,1,0,0,0,0|2,0,0]=3 1418 B11R1.28 C=CCNCc1cccnn1 2230a_100020586998_100016990269 [0,1,0,0,0,0|3,0,0]=4 1419 B11R1.28 C=CCNCc1cccnn1 2230a_100159270163_100000210623 [0,1,0,0,0,0|3,0,0]=4 1420 B11R1.28 C=CCNCc1ccncc1 2230a_100020586998_100015193705 [0,1,0,0,0,0|2,0,0]=3 1421 B11R1.28 C=CCNCc1ccnnc1 270004a_100020586998_100011934578 [0,1,0,0,0,0|3,0,0]=4 1422 B11R1.28 C=CCNCc1cnccn1 2230a_100020586998_100016995436 [0,1,0,0,0,0|3,0,0]=4 1423 B11R1.28 C=CCNCc1cnccn1 270004a_100020586998_100000749867 [0,1,0,0,0,0|3,0,0]=4 1424 B11R1.28 C=CCNCc1cncnc1 2230a_100011243677_100000210623 [0,1,0,0,0,0|3,0,0]=4 1425 B11R1.28 C=CCNCc1cncnc1 2230a_100020586998_100015196519 [0,1,0,0,0,0|3,0,0]=4 1426 B11R1.28 C=CCNCc1cncnc1 270004a_100020586998_100000749868 [0,1,0,0,0,0|3,0,0]=4 1427 B11R1.28 C=CCNCc1ncccn1 2230a_100020586998_100000703007 [0,1,0,0,0,0|3,0,0]=4 1428 B11R1.28 C=CCNCc1ncccn1 270004a_100020586998_100011532527 [0,1,0,0,0,0|3,0,0]=4 1429 B11R1.28 C=CCOCc1ccccc1 34a_100000210790_100015514636 [0,1,0,0,0,0|2,0,0]=3 1430 B11R1.28 C=CCOCc1ccccc1 34a_200000210373_100015291786 [0,1,0,0,0,0|2,0,0]=3 1431 B11R1.28 C=CCOCc1ccccc1 7a_100000210790_100015514636 [0,1,0,0,0,0|2,0,0]=3 1432 B11R1.28 C=CCOCc1ccccn1 34a_200000210373_100000721315 [0,1,0,0,0,0|3,0,0]=4 1433 B11R1.28 C=CCOCc1cccnc1 34a_200000210373_100000733263 [0,1,0,0,0,0|3,0,0]=4 1434 B11R1.28 C=CCSCc1ccccc1 62a_100000210623_100015291786 [0,1,0,0,0,0|2,0,0]=3 1435 B11R1.28 C=CCSCc1ccccc1 62a_100000211182_100000210623 [0,1,0,0,0,0|2,0,0]=3 1436 B11R1.28 C=CCSCc1ccccn1 62a_100000210623_100000721315 [0,1,0,0,0,0|3,0,0]=4 1437 B11R1.28 C=CCSCc1ccccn1 62a_100000721315_100000210623 [0,1,0,0,0,0|3,0,0]=4 1438 B11R1.28 C=CCSCc1cccnc1 62a_100000210623_100000741622 [0,1,0,0,0,0|3,0,0]=4 1439 B11R1.28 C=CCSCc1cccnc1 62a_100000741622_100000210623 [0,1,0,0,0,0|3,0,0]=4 1440 B11R1.28 C=CCSCc1ccncc1 62a_100000210623_100015193705 [0,1,0,0,0,0|3,0,0]=4 1441 B11R1.28 C=CCSCc1ccncc1 62a_100015193705_100000210623 [0,1,0,0,0,0|3,0,0]=4 1442 B11R1.28 CC#CCNc1ccccc1 34a_100000106764_100000748600 [0,1,0,0,0,0|2,0,1]=4 1443 B11R1.28 CC#CCOc1ccccc1 34a_100000210340_100000748600 [0,1,0,0,0,0|2,0,1]=4 1444 B11R1.28 CC#CCOc1ccccc1 7a_100000210340_100000748600 [0,1,0,0,0,0|2,0,1]=4 1445 B11R1.28 CC#CCSc1ccccc1 62a_100000719477_100000748600 [0,1,0,0,0,0|2,0,1]=4 1446 B11R1.28 CC#CCSc1ccccc1 62a_100000748600_100000041952 [0,1,0,0,0,0|2,0,1]=4 1447 B11R1.28 CC=CCNc1ccccc1 34a_100000106764_100000070051 [0,1,0,0,0,0|2,0,0]=3 1448 B11R1.28 CC=CCOc1ccccc1 34a_100000210340_100000070051 [0,1,0,0,0,0|2,0,0]=3 1449 B11R1.28 CC=CCOc1ccccc1 7a_100000210340_100000070051 [0,1,0,0,0,0|2,0,0]=3 1450 B11R1.28 CC=CCOc1cccnc1 34a_100000210849_100000070051 [0,1,0,0,0,0|3,0,0]=4 1451 B11R1.28 CC=CCOc1cccnc1 7a_100000210849_100000070051 [0,1,0,0,0,0|3,0,0]=4 1452 B11R1.28 CC=CCOc1ccncc1 34a_100000212176_100000070051 [0,1,0,0,0,0|3,0,0]=4 1453 B11R1.28 CC=CCSc1ccccc1 62a_100000070051_100000041952 [0,1,0,0,0,0|2,0,0]=3 1454 B11R1.28 CC=CCSc1ccccc1 62a_100000719477_100000070051 [0,1,0,0,0,0|2,0,0]=3 1455 B11R1.28 CC=CCSc1ccccn1 62a_100000070051_100011216584 [0,1,0,0,0,0|3,0,0]=4 1456 B11R1.28 CC=CCSc1ccccn1 62a_100011216584_100000070051 [0,1,0,0,0,0|3,0,0]=4 1457 B11R1.28 CC=CCSc1cccnc1 62a_100000070051_100000210063 [0,1,0,0,0,0|3,0,0]=4 1458 B11R1.28 CC=CCSc1cccnc1 62a_100000210063_100000070051 [0,1,0,0,0,0|3,0,0]=4 1459 B11R1.28 CC=CCSc1ccncc1 62a_100000070051_100000728582 [0,1,0,0,0,0|3,0,0]=4 1460 B11R1.28 CC=CCSc1ccncc1 62a_100000728582_100000070051 [0,1,0,0,0,0|3,0,0]=4 1461 B11R1.28 CC=NNCc1ccccc1 4a_100000007032_200000210099 [0,1,0,0,0,0|1,0,0]=2 1462 B11R1.28 CC=NNCc1ccccn1 4a_100000736832_200000210099 [0,1,0,0,0,0|2,0,0]=3 1463 B11R1.28 CC=NNCc1cccnc1 4a_100000738295_200000210099 [0,1,0,0,0,0|2,0,0]=3 1464 B11R1.28 CC=NNCc1ccncc1 4a_100000736929_200000210099 [0,1,0,0,0,0|2,0,0]=3 1465 B11R1.28 CCC=NNc1ccccc1 4a_100015195140_100000210100 [0,1,0,0,0,0|2,0,1]=4 1466 B11R1.28 CCCCNc1ccccc1 34a_100000106764_100000210210 [0,1,0,0,0,0|2,0,1]=4 1467 B11R1.28 CCCCOc1ccccc1 34a_100000210340_100000210210 [0,1,0,0,0,0|2,0,1]=4 1468 B11R1.28 CCCCOc1ccccc1 7a_100000210340_100000210211 [0,1,0,0,0,0|2,0,1]=4 1469 B11R1.28 CCCCSc1ccccc1 62a_100000210211_100000041952 [0,1,0,0,0,0|2,0,1]=4 1470 B11R1.28 CCCCSc1ccccc1 62a_100000719477_100000210210 [0,1,0,0,0,0|2,0,1]=4 1471 B11R1.28 CCCNCc1ccccc1 207a_100020643023_100015611070 [0,1,0,0,0,0|1,0,1]=3 1472 B11R1.28 CCCNCc1ccccc1 2230a_100015324214_100000210303 [0,1,0,0,0,0|1,0,1]=3 1473 B11R1.28 CCCNCc1ccccc1 270004a_100020643023_100015611070 [0,1,0,0,0,0|1,0,1]=3 1474 B11R1.28 CCCNCc1ccccc1 34a_100015324214_100000210303 [0,1,0,0,0,0|1,0,1]=3 1475 B11R1.28 CCCNCc1ccccn1 207a_100020643023_100000209966 [0,1,0,0,0,0|2,0,1]=4 1476 B11R1.28 CCCNCc1ccccn1 270004a_100020643023_100000209966 [0,1,0,0,0,0|2,0,1]=4 1477 B11R1.28 CCCNCc1cccnc1 207a_100020643023_100000209961 [0,1,0,0,0,0|2,0,1]=4 1478 B11R1.28 CCCNCc1cccnc1 270004a_100020643023_100000209961 [0,1,0,0,0,0|2,0,1]=4 1479 B11R1.28 CCCNCc1ccncc1 207a_100020643023_100000186114 [0,1,0,0,0,0|2,0,1]=4 1480 B11R1.28 CCCOCc1ccccc1 34a_100000210258_100015291786 [0,1,0,0,0,0|2,0,1]=4 1481 B11R1.28 CCCOCc1ccccc1 34a_100000210790_100000210303 [0,1,0,0,0,0|2,0,1]=4 1482 B11R1.28 CCCOCc1ccccc1 7a_100000210790_100000210303 [0,1,0,0,0,0|2,0,1]=4 1483 B11R1.28 CCCSCc1ccccc1 62a_100000210303_100015291786 [0,1,0,0,0,0|2,0,1]=4 1484 B11R1.28 CCCSCc1ccccc1 62a_100000211182_100000210303 [0,1,0,0,0,0|2,0,1]=4 1485 B11R1.28 CCNCCc1ccccc1 2230a_100000106460_100000210202 [0,1,0,0,0,0|1,0,1]=3 1486 B11R1.28 CCNCCc1ccccc1 2230a_100015525214_100000765856 [0,1,0,0,0,0|1,0,1]=3 1487 B11R1.28 CCNCCc1ccccc1 34a_100000106460_100000210202 [0,1,0,0,0,0|1,0,1]=3 1488 B11R1.28 CCNCCc1ccccn1 2230a_100015525214_100015183660 [0,1,0,0,0,0|2,0,1]=4 1489 B11R1.28 CCNCCc1cccnc1 2230a_100000736294_100000210202 [0,1,0,0,0,0|2,0,1]=4 1490 B11R1.28 CCNCCc1cccnc1 2230a_100015525214_200011713674 [0,1,0,0,0,0|2,0,1]=4 1491 B11R1.28 CCNCCc1ccncc1 2230a_100015525214_100000723409 [0,1,0,0,0,0|2,0,1]=4 1492 B11R1.28 CCNCSc1ccccc1 2230a_100015525214_100011218342 [0,1,0,0,0,0|1,0,1]=3 1493 B11R1.28 CCNN=Cc1ccccc1 4a_100000756455_100015611070 [0,1,0,0,0,0|1,0,2]=4 1494 B11R1.28 CCOCCc1ccccc1 34a_100000210268_100000210202 [0,1,0,0,0,0|2,0,1]=4 1495 B11R1.28 CCOCCc1ccccc1 34a_100121572206_100000765856 [0,1,0,0,0,0|2,0,1]=4 1496 B11R1.28 CCOCCc1ccccc1 7a_100000210268_100000210202 [0,1,0,0,0,0|2,0,1]=4 1497 B11R1.28 CCOCSc1ccccc1 62a_100000719477_100000739092 [0,1,0,0,0,0|2,0,1]=4 1498 B11R1.28 CCOCSc1ccccc1 62a_100000739092_100000041952 [0,1,0,0,0,0|2,0,1]=4 1499 B11R1.28 CCSCCc1ccccc1 62a_100000210202_100011218657 [0,1,0,0,0,0|2,0,1]=4 1500 B11R1.28 CCSCCc1ccccc1 62a_100000765856_100000210202 [0,1,0,0,0,0|2,0,1]=4 1501 B11R1.28 CCSCSc1ccccc1 62a_100000210202_100011218342 [0,1,0,0,0,0|2,0,1]=4 1502 B11R1.28 CCSCSc1ccccc1 62a_100011218342_100000210202 [0,1,0,0,0,0|2,0,1]=4 1503 B11R1.28 CNCCCc1ccccc1 2230a_100000211184_200000210301 [0,1,0,0,0,0|2,0,1]=4 1504 B11R1.28 CNCCCc1ccccc1 2230a_106832991635_100000211621 [0,1,0,0,0,0|2,0,1]=4 1505 B11R1.28 CNCCCc1ccccc1 34a_100000211184_200000210301 [0,1,0,0,0,0|2,0,1]=4 1506 B11R1.28 CNCCCc1ccccc1 34a_100102657272_100000211621 [0,1,0,0,0,0|2,0,1]=4 1507 B11R1.28 CNCCCc1ccccc1 7a_106832991635_100000211621 [0,1,0,0,0,0|2,0,1]=4 1508 B11R1.28 CNCCOc1ccccc1 2230a_100000174943_200000210301 [0,1,0,0,0,0|3,0,0]=4 1509 B11R1.28 CNCCOc1ccccc1 2230a_106832991635_100000184471 [0,1,0,0,0,0|3,0,0]=4 1510 B11R1.28 CNCCOc1ccccc1 270004a_106832991635_100000758736 [0,1,0,0,0,0|3,0,0]=4 1511 B11R1.28 CNCCOc1ccccc1 34a_100000174943_200000210301 [0,1,0,0,0,0|3,0,0]=4 1512 B11R1.28 CNCCOc1ccccc1 34a_100102657272_100000184471 [0,1,0,0,0,0|3,0,0]=4 1513 B11R1.28 CNCCOc1ccccc1 7a_106832991635_100000184471 [0,1,0,0,0,0|3,0,0]=4 1514 B11R1.28 CNCCSc1ccccc1 2230a_100000189519_200000210301 [0,1,0,0,0,0|3,0,0]=4 1515 B11R1.28 CNCCSc1ccccc1 2230a_106832991635_100000246102 [0,1,0,0,0,0|3,0,0]=4 1516 B11R1.28 CNCCSc1ccccc1 34a_100102657272_100000246102 [0,1,0,0,0,0|3,0,0]=4 1517 B11R1.28 CNCCSc1ccccc1 7a_106832991635_100000246102 [0,1,0,0,0,0|3,0,0]=4 1518 B11R1.28 CNCOCc1ccccc1 2230a_106832991635_100000763385 [0,1,0,0,0,0|2,0,1]=4 1519 B11R1.28 CNCOCc1ccccc1 34a_100102657272_100000763385 [0,1,0,0,0,0|2,0,1]=4 1520 B11R1.28 CNCSCc1ccccc1 2230a_106832991635_200011217039 [0,1,0,0,0,0|2,0,1]=4 1521 B11R1.28 CNCSCc1ccccc1 34a_100102657272_200011217039 [0,1,0,0,0,0|2,0,1]=4 1522 B11R1.28 COCCCc1ccccc1 34a_100000210828_200000210301 [0,1,0,0,0,0|1,0,2]=4 1523 B11R1.28 COCCCc1ccccc1 34a_100138415774_100000211621 [0,1,0,0,0,0|1,0,2]=4 1524 B11R1.28 COCCCc1ccccc1 7a_100000210828_200000210301 [0,1,0,0,0,0|1,0,2]=4 1525 B11R1.28 COCCNc1ccccc1 34a_100000106764_100011201679 [0,1,0,0,0,0|3,0,0]=4 1526 B11R1.28 COCCNc1ccccc1 34a_100000211345_200000210301 [0,1,0,0,0,0|3,0,0]=4 1527 B11R1.28 COCCOc1ccccc1 34a_100000210260_200000210301 [0,1,0,0,0,0|3,0,0]=4 1528 B11R1.28 COCCOc1ccccc1 34a_100000210340_100011201679 [0,1,0,0,0,0|3,0,0]=4 1529 B11R1.28 COCCOc1ccccc1 34a_100138415774_100000184471 [0,1,0,0,0,0|3,0,0]=4 1530 B11R1.28 COCCOc1ccccc1 7a_100000210260_200000210301 [0,1,0,0,0,0|3,0,0]=4 1531 B11R1.28 COCCOc1ccccc1 7a_100000210340_100000233755 [0,1,0,0,0,0|3,0,0]=4 1532 B11R1.28 COCCSc1ccccc1 34a_100138415774_100000246102 [0,1,0,0,0,0|3,0,0]=4 1533 B11R1.28 COCCSc1ccccc1 62a_100000233755_100000041952 [0,1,0,0,0,0|3,0,0]=4 1534 B11R1.28 COCCSc1ccccc1 62a_100000719477_100000233755 [0,1,0,0,0,0|3,0,0]=4 1535 B11R1.28 COCCSc1ccccc1 7a_100000230494_200000210301 [0,1,0,0,0,0|3,0,0]=4 1536 B11R1.28 COCNCc1ccccc1 2230a_100015324214_100000766300 [0,1,0,0,0,0|0,0,2]=3 1537 B11R1.28 COCOCc1ccccc1 34a_100138415774_100000763385 [0,1,0,0,0,0|1,0,2]=4 1538 B11R1.28 COCSCc1ccccc1 34a_100138415774_200011217039 [0,1,0,0,0,0|1,0,2]=4 1539 B11R1.28 COCSCc1ccccc1 62a_100000211182_100000766300 [0,1,0,0,0,0|1,0,2]=4 1540 B11R1.28 COCSCc1ccccc1 62a_100000766300_100015291786 [0,1,0,0,0,0|1,0,2]=4 1541 B11R1.28 CSCCCc1ccccc1 62a_100000211621_200000210301 [0,1,0,0,0,0|1,1,1]=4 1542 B11R1.28 CSCCCc1ccccc1 62a_200000210301_100000211621 [0,1,0,0,0,0|1,1,1]=4 1543 B11R1.28 CSCCNc1ccccc1 34a_100000106764_100000212216 [0,1,0,0,0,0|3,0,0]=4 1544 B11R1.28 CSCCOc1ccccc1 34a_100000210340_100000212216 [0,1,0,0,0,0|3,0,0]=4 1545 B11R1.28 CSCCOc1ccccc1 62a_100000184471_200000210301 [0,1,0,0,0,0|3,0,0]=4 1546 B11R1.28 CSCCOc1ccccc1 62a_200000210301_100000184471 [0,1,0,0,0,0|3,0,0]=4 1547 B11R1.28 CSCCOc1ccccc1 7a_100000210340_100000212216 [0,1,0,0,0,0|3,0,0]=4 1548 B11R1.28 CSCCSc1ccccc1 62a_100000212216_100000041952 [0,1,0,0,0,0|3,0,0]=4 1549 B11R1.28 CSCCSc1ccccc1 62a_100000246102_200000210301 [0,1,0,0,0,0|3,0,0]=4 1550 B11R1.28 CSCCSc1ccccc1 62a_100000719477_100000751147 [0,1,0,0,0,0|3,0,0]=4 1551 B11R1.28 CSCCSc1ccccc1 62a_200000210301_100000246102 [0,1,0,0,0,0|3,0,0]=4 1552 B11R1.28 CSCNCc1ccccc1 2230a_100015324214_100011218213 [0,1,0,0,0,0|0,1,1]=3 1553 B11R1.28 CSCNCc1ccccc1 34a_100015324214_100011218213 [0,1,0,0,0,0|0,1,1]=3 1554 B11R1.28 CSCOCc1ccccc1 34a_100000210790_100011218213 [0,1,0,0,0,0|1,1,1]=4 1555 B11R1.28 CSCOCc1ccccc1 62a_100000763385_200000210301 [0,1,0,0,0,0|1,1,1]=4 1556 B11R1.28 CSCOCc1ccccc1 62a_200000210301_100000763385 [0,1,0,0,0,0|1,1,1]=4 1557 B11R1.28 CSCSCc1ccccc1 62a_100000211182_100011218213 [0,1,0,0,0,0|1,1,1]=4 1558 B11R1.28 CSCSCc1ccccc1 62a_100011218213_100015291786 [0,1,0,0,0,0|1,1,1]=4 1559 B11R1.28 CSCSCc1ccccc1 62a_200000210301_200011217039 [0,1,0,0,0,0|1,1,1]=4 1560 B11R1.28 CSCSCc1ccccc1 62a_200011217039_200000210301 [0,1,0,0,0,0|1,1,1]=4 1561 B11R1.28 FCCCNc1ccccc1 34a_100000106764_100011934791 [0,1,0,0,0,0|2,0,1]=4 1562 B11R1.28 FCCCOc1ccccc1 34a_100000210340_100011934791 [0,1,0,0,0,0|2,0,1]=4 1563 B11R1.28 FCCCOc1ccccc1 7a_100000210340_100011934791 [0,1,0,0,0,0|2,0,1]=4 1564 B11R1.28 FCCCSc1ccccc1 62a_100000719477_100011934791 [0,1,0,0,0,0|2,0,1]=4 1565 B11R1.28 FCCCSc1ccccc1 62a_100011934791_100000041952 [0,1,0,0,0,0|2,0,1]=4 1566 B11R1.28 FCCNCc1ccccc1 2230a_100015324214_100011217306 [0,1,0,0,0,0|1,0,1]=3 1567 B11R1.28 FCCNCc1ccccc1 34a_100000724931_100015291786 [0,1,0,0,0,0|1,0,1]=3 1568 B11R1.28 FCCNCc1ccccc1 34a_100015324214_100011217306 [0,1,0,0,0,0|1,0,1]=3 1569 B11R1.28 FCCNCc1ccccn1 34a_100000724931_100000721315 [0,1,0,0,0,0|2,0,1]=4 1570 B11R1.28 FCCNCc1cccnc1 34a_100000724931_100000733263 [0,1,0,0,0,0|2,0,1]=4 1571 B11R1.28 FCCOCc1ccccc1 34a_100000210790_100011217306 [0,1,0,0,0,0|2,0,1]=4 1572 B11R1.28 FCCOCc1ccccc1 7a_100000210790_100011217306 [0,1,0,0,0,0|2,0,1]=4 1573 B11R1.28 FCCSCc1ccccc1 62a_100000211182_100011217306 [0,1,0,0,0,0|2,0,1]=4 1574 B11R1.28 FCCSCc1ccccc1 62a_100011217306_100015291786 [0,1,0,0,0,0|2,0,1]=4 1575 B11R1.28 FCNCCc1ccccc1 34a_100000106460_100015361967 [0,1,0,0,0,0|1,0,1]=3 1576 B11R1.28 FCOCCc1ccccc1 34a_100000210268_100015361967 [0,1,0,0,0,0|2,0,1]=4 1577 B11R1.28 FCOCCc1ccccc1 7a_100000210268_100015361967 [0,1,0,0,0,0|2,0,1]=4 1578 B11R1.28 FCSCCc1ccccc1 62a_100000765856_100015361967 [0,1,0,0,0,0|2,0,1]=4 1579 B11R1.28 FCSCCc1ccccc1 62a_100015361967_100011218657 [0,1,0,0,0,0|2,0,1]=4 1580 B11R1.28 FCSCSc1ccccc1 62a_100011218342_100015361967 [0,1,0,0,0,0|2,0,1]=4 1581 B11R1.28 FCSCSc1ccccc1 62a_100015361967_100011218342 [0,1,0,0,0,0|2,0,1]=4 1582 B11R1.28 N#CCCOc1ccccc1 7a_100000210340_100000184422 [0,1,0,0,0,0|2,0,1]=4 1583 B11R1.28 N#CCCSc1ccccc1 62a_100000719477_100011215226 [0,1,0,0,0,0|2,0,1]=4 1584 B11R1.28 N#CCCSc1ccccc1 62a_100011215226_100000041952 [0,1,0,0,0,0|2,0,1]=4 1585 B11R1.28 N#CCNCc1ccccc1 2230a_100015324214_100011215382 [0,1,0,0,0,0|1,0,1]=3 1586 B11R1.28 N#CCOCc1ccccc1 7a_100000210790_100011215382 [0,1,0,0,0,0|2,0,1]=4 1587 B11R1.28 N#CCSCc1ccccc1 62a_100000211182_100011215382 [0,1,0,0,0,0|2,0,1]=4 1588 B11R1.28 N#CCSCc1ccccc1 62a_100011215382_100015291786 [0,1,0,0,0,0|2,0,1]=4 1589 B11R1.28 N#CSCSc1ccccc1 62a_100000211825_100000041952 [0,1,0,0,0,0|2,0,1]=4 1590 B11R1.28 N#CSCSc1ccccc1 62a_100000719477_100000211825 [0,1,0,0,0,0|2,0,1]=4 1591 B11R1.28 NCCOCc1ccccc1 34a_100000210304_100015291786 [0,1,0,0,0,0|2,0,1]=4 1592 B11R1.28 O=CCNCc1ccccc1 2230a_100015324214_200015260668 [0,1,0,0,0,0|0,0,0]=1 1593 B11R1.28 O=CCNCc1ccccc1 34a_100015324214_200009817547 [0,1,0,0,0,0|0,0,0]=1 1594 B11R1.28 O=CCNCc1cccnn1 2230a_100159270163_200015260668 [0,1,0,0,0,0|2,0,0]=3 1595 B11R1.28 O=CCNCc1cncnc1 2230a_100011243677_200015260668 [0,1,0,0,0,0|2,0,0]=3 1596 B11R1.28 O=CCOCc1ccccc1 34a_100000210790_200009817547 [0,1,0,0,0,0|1,0,0]=2 1597 B11R1.28 O=CCOCc1ccccc1 7a_100000210790_200015260668 [0,1,0,0,0,0|1,0,0]=2 1598 B11R1.28 O=CCSCc1ccccc1 62a_100000211182_200015260668 [0,1,0,0,0,0|1,0,0]=2 1599 B11R1.28 O=CCSCc1ccccc1 62a_200015260668_100015291786 [0,1,0,0,0,0|1,0,0]=2 1600 B11R1.28 O=CCSCc1ccccn1 62a_100000721315_200015260668 [0,1,0,0,0,0|2,0,0]=3 1601 B11R1.28 O=CCSCc1ccccn1 62a_200015260668_100000721315 [0,1,0,0,0,0|2,0,0]=3 1602 B11R1.28 O=CCSCc1cccnc1 62a_100000741622_200015260668 [0,1,0,0,0,0|2,0,0]=3 1603 B11R1.28 O=CCSCc1cccnc1 62a_200015260668_100000741622 [0,1,0,0,0,0|2,0,0]=3 1604 B11R1.28 O=CCSCc1cccnn1 62a_100016990269_200015260668 [0,1,0,0,0,0|3,0,0]=4 1605 B11R1.28 O=CCSCc1cccnn1 62a_200015260668_100016990269 [0,1,0,0,0,0|3,0,0]=4 1606 B11R1.28 O=CCSCc1ccncc1 62a_100015193705_200015260668 [0,1,0,0,0,0|2,0,0]=3 1607 B11R1.28 O=CCSCc1ccncc1 62a_200015260668_100015193705 [0,1,0,0,0,0|2,0,0]=3 1608 B11R1.28 O=CCSCc1cnccn1 62a_100016995436_200015260668 [0,1,0,0,0,0|3,0,0]=4 1609 B11R1.28 O=CCSCc1cnccn1 62a_200015260668_100016995436 [0,1,0,0,0,0|3,0,0]=4 1610 B11R1.28 O=CCSCc1cncnc1 62a_100015196519_200015260668 [0,1,0,0,0,0|3,0,0]=4 1611 B11R1.28 O=CCSCc1cncnc1 62a_200015260668_100015196519 [0,1,0,0,0,0|3,0,0]=4 1612 B11R1.28 O=CCSCc1ncccn1 62a_100000703007_200015260668 [0,1,0,0,0,0|3,0,0]=4 1613 B11R1.28 O=CCSCc1ncccn1 62a_200015260668_100000703007 [0,1,0,0,0,0|3,0,0]=4 1614 B11R1.28 OCCCNc1ccccc1 34a_100000106764_100000230001 [0,1,0,0,0,0|1,0,2]=4 1615 B11R1.28 OCCCOc1ccccc1 34a_100000210340_100000230001 [0,1,0,0,0,0|1,0,2]=4 1616 B11R1.28 OCCCOc1ccccc1 7a_100000210340_100011215043 [0,1,0,0,0,0|1,0,2]=4 1617 B11R1.28 OCCCSc1ccccc1 62a_100000719477_100011215043 [0,1,0,0,0,0|1,0,2]=4 1618 B11R1.28 OCCCSc1ccccc1 62a_100011215043_100000041952 [0,1,0,0,0,0|1,0,2]=4 1619 B11R1.28 OCCNCc1ccccc1 207a_100000210304_100015611070 [0,1,0,0,0,0|0,0,2]=3 1620 B11R1.28 OCCNCc1ccccc1 2230a_100015324214_100000211926 [0,1,0,0,0,0|0,0,2]=3 1621 B11R1.28 OCCNCc1ccccc1 2230a_100016997473_100015291786 [0,1,0,0,0,0|0,0,2]=3 1622 B11R1.28 OCCNCc1ccccc1 270004a_100000210304_100015611070 [0,1,0,0,0,0|0,0,2]=3 1623 B11R1.28 OCCNCc1ccccc1 34a_100015324214_100000211926 [0,1,0,0,0,0|0,0,2]=3 1624 B11R1.28 OCCNCc1ccccc1 34a_100016990907_100015291786 [0,1,0,0,0,0|0,0,2]=3 1625 B11R1.28 OCCNCc1ccccn1 207a_100000210304_100000209966 [0,1,0,0,0,0|1,0,2]=4 1626 B11R1.28 OCCNCc1ccccn1 2230a_100016997473_100000721315 [0,1,0,0,0,0|1,0,2]=4 1627 B11R1.28 OCCNCc1ccccn1 270004a_100000210304_100000209966 [0,1,0,0,0,0|1,0,2]=4 1628 B11R1.28 OCCNCc1ccccn1 34a_100016990907_100000721315 [0,1,0,0,0,0|1,0,2]=4 1629 B11R1.28 OCCNCc1cccnc1 207a_100000210304_100000209961 [0,1,0,0,0,0|1,0,2]=4 1630 B11R1.28 OCCNCc1cccnc1 2230a_100016997473_100000741622 [0,1,0,0,0,0|1,0,2]=4 1631 B11R1.28 OCCNCc1cccnc1 270004a_100000210304_100000209961 [0,1,0,0,0,0|1,0,2]=4 1632 B11R1.28 OCCNCc1cccnc1 34a_100016990907_100000733263 [0,1,0,0,0,0|1,0,2]=4 1633 B11R1.28 OCCNCc1ccncc1 207a_100000210304_100000186114 [0,1,0,0,0,0|1,0,2]=4 1634 B11R1.28 OCCNCc1ccncc1 2230a_100016997473_100015193705 [0,1,0,0,0,0|1,0,2]=4 1635 B11R1.28 OCCOCc1ccccc1 34a_100000210790_100000211926 [0,1,0,0,0,0|1,0,2]=4 1636 B11R1.28 OCCOCc1ccccc1 7a_100000210790_100000211926 [0,1,0,0,0,0|1,0,2]=4 1637 B11R1.28 OCCSCc1ccccc1 62a_100000211182_100000211926 [0,1,0,0,0,0|1,0,2]=4 1638 B11R1.28 OCCSCc1ccccc1 62a_100000211926_100015291786 [0,1,0,0,0,0|1,0,2]=4 1639 B11R1.28 [13CH3]NCCCc1ccccc1 2230a_100000211184_200025704644 [0,1,0,0,0,0|2,0,1]=4 1640 B11R1.28 [13CH3]NCCCc1ccccc1 34a_100000211184_200025704644 [0,1,0,0,0,0|2,0,1]=4 1641 B11R1.28 [13CH3]NCCOc1ccccc1 2230a_100000174943_200025704644 [0,1,0,0,0,0|3,0,0]=4 1642 B11R1.28 [13CH3]NCCOc1ccccc1 34a_100000174943_200025704644 [0,1,0,0,0,0|3,0,0]=4 1643 B11R1.28 [13CH3]NCCSc1ccccc1 2230a_100000189519_200025704644 [0,1,0,0,0,0|3,0,0]=4 1644 B11R1.28 [13CH3]OCCCc1ccccc1 34a_100000210828_200025704644 [0,1,0,0,0,0|1,0,2]=4 1645 B11R1.28 [13CH3]OCCCc1ccccc1 7a_100000210828_200025704644 [0,1,0,0,0,0|1,0,2]=4 1646 B11R1.28 [13CH3]OCCNc1ccccc1 34a_100000211345_200025704644 [0,1,0,0,0,0|3,0,0]=4 1647 B11R1.28 [13CH3]OCCOc1ccccc1 34a_100000210260_200025704644 [0,1,0,0,0,0|3,0,0]=4 1648 B11R1.28 [13CH3]OCCOc1ccccc1 7a_100000210260_200025704644 [0,1,0,0,0,0|3,0,0]=4 1649 B11R1.28 [13CH3]OCCSc1ccccc1 7a_100000230494_200025704644 [0,1,0,0,0,0|3,0,0]=4 1650 B11R1.28 [13CH3]SCCCc1ccccc1 62a_100000211621_200025704644 [0,1,0,0,0,0|1,1,1]=4 1651 B11R1.28 [13CH3]SCCCc1ccccc1 62a_200025704644_100000211621 [0,1,0,0,0,0|1,1,1]=4 1652 B11R1.28 [13CH3]SCCOc1ccccc1 62a_100000184471_200025704644 [0,1,0,0,0,0|3,0,0]=4 1653 B11R1.28 [13CH3]SCCOc1ccccc1 62a_200025704644_100000184471 [0,1,0,0,0,0|3,0,0]=4 1654 B11R1.28 [13CH3]SCCSc1ccccc1 62a_100000246102_200025704644 [0,1,0,0,0,0|3,0,0]=4 1655 B11R1.28 [13CH3]SCCSc1ccccc1 62a_200025704644_100000246102 [0,1,0,0,0,0|3,0,0]=4 1656 B11R1.28 [13CH3]SCOCc1ccccc1 62a_100000763385_200025704644 [0,1,0,0,0,0|1,1,1]=4 1657 B11R1.28 [13CH3]SCOCc1ccccc1 62a_200025704644_100000763385 [0,1,0,0,0,0|1,1,1]=4 1658 B11R1.28 [13CH3]SCSCc1ccccc1 62a_200011217039_200025704644 [0,1,0,0,0,0|1,1,1]=4 1659 B11R1.28 [13CH3]SCSCc1ccccc1 62a_200025704644_200011217039 [0,1,0,0,0,0|1,1,1]=4 1660 B11R1.40 C#CC(=O)Cc1ccccc1 1458a_100000211873_100015291786 [0,1,0,0,0,0|2,0,1]=4 1661 B11R1.40 C=CC(=O)Cc1ccccc1 1458a_100000185746_100015291786 [0,1,0,0,0,0|2,0,0]=3 1662 B11R1.40 C=CC(=O)Cc1ccccn1 1458a_100000185746_100000721315 [0,1,0,0,0,0|3,0,0]=4 1663 B11R1.40 C=CC(=O)Cc1cccnc1 1458a_100000185746_100000733263 [0,1,0,0,0,0|3,0,0]=4 1664 B11R1.40 C=CC(=O)Cc1ccncc1 1458a_100000185746_100000705612 [0,1,0,0,0,0|3,0,0]=4 1665 B11R1.40 C=CC(=O)Nc1ccccc1 1626a_100000106764_100000185746 [0,1,0,0,0,0|3,0,0]=4 1666 B11R1.40 C=CC(=O)Nc1ccccc1 22a_100000106764_100000185746 [0,1,0,0,0,0|3,0,0]=4 1667 B11R1.40 C=CC(C)Sc1ccccc1 62a_100011215867_100000041952 [0,1,0,0,0,0|3,0,0]=4 1668 B11R1.40 CC(Cc1ccccc1)O[13CH3] 34a_100000748627_200025704644 [0,1,0,0,0,0|3,0,0]=4 1669 B11R1.40 CC(Cc1ccccc1)O[13CH3] 7a_100000748627_200025704644 [0,1,0,0,0,0|3,0,0]=4 1670 B11R1.40 CC(Cc1ccccc1)S[13CH3] 62a_200011218536_200025704644 [0,1,0,0,0,0|3,0,0]=4 1671 B11R1.40 CC(Cc1ccccc1)S[13CH3] 62a_200025704644_200011218536 [0,1,0,0,0,0|3,0,0]=4 1672 B11R1.40 CCC(=O)Cc1ccccc1 1458a_100000210414_100015291786 [0,1,0,0,0,0|2,0,1]=4 1673 B11R1.40 CCN(C)Cc1ccccc1 2230a_100000186898_100000210202 [0,1,0,0,0,0|1,0,1]=3 1674 B11R1.40 CCN(C)Cc1ccccc1 2230a_100000186914_200000210301 [0,1,0,0,0,0|1,0,1]=3 1675 B11R1.40 CCN(C)Cc1ccccc1 2230a_100000225621_100015291786 [0,1,0,0,0,0|1,0,1]=3 1676 B11R1.40 CCN(C)Cc1ccccc1 269982a_100000186898_100000204670 [0,1,0,0,0,0|1,0,1]=3 1677 B11R1.40 CCN(C)Cc1ccccc1 269982a_100000186914_200000210301 [0,1,0,0,0,0|1,0,1]=3 1678 B11R1.40 CCN(C)Cc1ccccc1 269982a_100000225621_100000211182 [0,1,0,0,0,0|1,0,1]=3 1679 B11R1.40 CCN(C)Cc1ccccn1 2230a_100000201164_200000210301 [0,1,0,0,0,0|2,0,1]=4 1680 B11R1.40 CCN(C)Cc1ccccn1 2230a_100000207498_100000210202 [0,1,0,0,0,0|2,0,1]=4 1681 B11R1.40 CCN(C)Cc1ccccn1 2230a_100000225621_100000721315 [0,1,0,0,0,0|2,0,1]=4 1682 B11R1.40 CCN(C)Cc1ccccn1 269982a_100000201164_200000210301 [0,1,0,0,0,0|2,0,1]=4 1683 B11R1.40 CCN(C)Cc1ccccn1 269982a_100000207498_100000204670 [0,1,0,0,0,0|2,0,1]=4 1684 B11R1.40 CCN(C)Cc1ccccn1 269982a_100000225621_100000721315 [0,1,0,0,0,0|2,0,1]=4 1685 B11R1.40 CCN(C)Cc1cccnc1 2230a_100000184577_100000210202 [0,1,0,0,0,0|2,0,1]=4 1686 B11R1.40 CCN(C)Cc1cccnc1 2230a_100000186920_200000210301 [0,1,0,0,0,0|2,0,1]=4 1687 B11R1.40 CCN(C)Cc1cccnc1 2230a_100000225621_100000741622 [0,1,0,0,0,0|2,0,1]=4 1688 B11R1.40 CCN(C)Cc1cccnc1 269982a_100000184577_100000204670 [0,1,0,0,0,0|2,0,1]=4 1689 B11R1.40 CCN(C)Cc1cccnc1 269982a_100000186920_200000210301 [0,1,0,0,0,0|2,0,1]=4 1690 B11R1.40 CCN(C)Cc1cccnc1 269982a_100000225621_100000733263 [0,1,0,0,0,0|2,0,1]=4 1691 B11R1.40 CCN(C)Cc1ccncc1 2230a_100000186919_200000210301 [0,1,0,0,0,0|2,0,1]=4 1692 B11R1.40 CCN(C)Cc1ccncc1 2230a_100000187231_100000210202 [0,1,0,0,0,0|2,0,1]=4 1693 B11R1.40 CCN(C)Cc1ccncc1 2230a_100000225621_100015193705 [0,1,0,0,0,0|2,0,1]=4 1694 B11R1.40 CCN(C)Cc1ccncc1 269982a_100000186919_200000210301 [0,1,0,0,0,0|2,0,1]=4 1695 B11R1.40 CCN(C)Cc1ccncc1 269982a_100000187231_100000204670 [0,1,0,0,0,0|2,0,1]=4 1696 B11R1.40 CCN(C)Cc1ccncc1 269982a_100000225621_100015193705 [0,1,0,0,0,0|2,0,1]=4 1697 B11R1.40 CCN([13CH3])Cc1ccccc1 2230a_100000186914_200025704644 [0,1,0,0,0,0|1,0,1]=3 1698 B11R1.40 CCN([13CH3])Cc1ccccc1 269982a_100000186914_200025704644 [0,1,0,0,0,0|1,0,1]=3 1699 B11R1.40 CCN([13CH3])Cc1ccccn1 2230a_100000201164_200025704644 [0,1,0,0,0,0|2,0,1]=4 1700 B11R1.40 CCN([13CH3])Cc1ccccn1 269982a_100000201164_200025704644 [0,1,0,0,0,0|2,0,1]=4 1701 B11R1.40 CCN([13CH3])Cc1cccnc1 2230a_100000186920_200025704644 [0,1,0,0,0,0|2,0,1]=4 1702 B11R1.40 CCN([13CH3])Cc1cccnc1 269982a_100000186920_200025704644 [0,1,0,0,0,0|2,0,1]=4 1703 B11R1.40 CCN([13CH3])Cc1ccncc1 2230a_100000186919_200025704644 [0,1,0,0,0,0|2,0,1]=4 1704 B11R1.40 CCN([13CH3])Cc1ccncc1 269982a_100000186919_200025704644 [0,1,0,0,0,0|2,0,1]=4 1705 B11R1.40 CN(CF)Cc1ccccc1 269982a_100000186898_100015361967 [0,1,0,0,0,0|1,0,1]=3 1706 B11R1.40 CN(CF)Cc1ccccn1 269982a_100000207498_100015361967 [0,1,0,0,0,0|2,0,1]=4 1707 B11R1.40 CN(CF)Cc1cccnc1 269982a_100000184577_100015361967 [0,1,0,0,0,0|2,0,1]=4 1708 B11R1.40 CN(CF)Cc1ccncc1 269982a_100000187231_100015361967 [0,1,0,0,0,0|2,0,1]=4 1709 B11R1.40 CNC(C)Cc1ccccc1 34a_100102657272_200011218536 [0,1,0,0,0,0|3,0,0]=4 1710 B11R1.40 CNC(C)Cc1ccccc1 7a_106832991635_200011218536 [0,1,0,0,0,0|3,0,0]=4 1711 B11R1.40 COC(C)Cc1ccccc1 34a_100000748627_200000210301 [0,1,0,0,0,0|3,0,0]=4 1712 B11R1.40 COC(C)Cc1ccccc1 34a_100138415774_200011218536 [0,1,0,0,0,0|3,0,0]=4 1713 B11R1.40 COC(C)Cc1ccccc1 7a_100000748627_200000210301 [0,1,0,0,0,0|3,0,0]=4 1714 B11R1.40 CSC(C)Cc1ccccc1 62a_200000210301_200011218536 [0,1,0,0,0,0|3,0,0]=4 1715 B11R1.40 CSC(C)Cc1ccccc1 62a_200011218536_200000210301 [0,1,0,0,0,0|3,0,0]=4 1716 B11R1.40 O=C(CO)Cc1ccccc1 1458a_100000210174_100015291786 [0,1,0,0,0,0|1,0,2]=4 1717 B11R1.91 C=C(C)CNc1ccccc1 34a_100000106764_100000748629 [0,1,0,0,0,0|3,0,0]=4 1718 B11R1.91 C=C(C)COc1ccccc1 34a_100000210340_100000748629 [0,1,0,0,0,0|3,0,0]=4 1719 B11R1.91 C=C(C)COc1ccccc1 7a_100000210340_100000748629 [0,1,0,0,0,0|3,0,0]=4 1720 B11R1.91 C=C(C)CSc1ccccc1 62a_100000719477_100000211660 [0,1,0,0,0,0|3,0,0]=4 1721 B11R1.91 C=C(C)CSc1ccccc1 62a_100000748629_100000041952 [0,1,0,0,0,0|3,0,0]=4 1722 B11R1.91 C=C(F)CNc1ccccc1 34a_100000106764_100009893438 [0,1,0,0,0,0|3,0,0]=4 1723 B11R1.91 C=C(F)COc1ccccc1 34a_100000210340_100009893438 [0,1,0,0,0,0|3,0,0]=4 1724 B11R1.91 C=C(F)COc1ccccc1 7a_100000210340_100000042424 [0,1,0,0,0,0|3,0,0]=4 1725 B11R1.91 C=C(F)CSc1ccccc1 62a_100000042424_100000041952 [0,1,0,0,0,0|3,0,0]=4 1726 B11R1.91 C=C(F)CSc1ccccc1 62a_100000719477_100000042424 [0,1,0,0,0,0|3,0,0]=4 1727 B11R1.91 CC(=O)C#Cc1ccccc1 1458a_100000736102_200000210301 [0,1,0,0,0,0|1,0,1]=3 1728 B11R1.91 CC(=O)C#Cc1ccccn1 1458a_102125277312_200000210301 [0,1,0,0,0,0|2,0,1]=4 1729 B11R1.91 CC(=O)C=Cc1ccccc1 1458a_100000210462_200000210301 [0,1,0,0,0,0|1,0,1]=3 1730 B11R1.91 CC(=O)C=Cc1ccccn1 1458a_100000740811_200000210301 [0,1,0,0,0,0|2,0,1]=4 1731 B11R1.91 CC(=O)C=Cc1cccnc1 1458a_100000735890_200000210301 [0,1,0,0,0,0|2,0,1]=4 1732 B11R1.91 CC(=O)C=Cc1ccncc1 1458a_100000682801_200000210301 [0,1,0,0,0,0|2,0,1]=4 1733 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000070787_100000765856 [0,1,0,0,0,0|1,0,0]=2 1734 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000185753_200000210301 [0,1,0,0,0,0|1,0,0]=2 1735 B11R1.91 CC(=O)CCc1ccccn1 1458a_100000070787_100015183660 [0,1,0,0,0,0|2,0,0]=3 1736 B11R1.91 CC(=O)CCc1ccccn1 1458a_100015195070_200000210301 [0,1,0,0,0,0|2,0,0]=3 1737 B11R1.91 CC(=O)CCc1cccnc1 1458a_100000070787_200011713674 [0,1,0,0,0,0|2,0,0]=3 1738 B11R1.91 CC(=O)CCc1cccnc1 1458a_100000198484_200000210301 [0,1,0,0,0,0|2,0,0]=3 1739 B11R1.91 CC(=O)CCc1ccncc1 1458a_100000070787_100000723409 [0,1,0,0,0,0|2,0,0]=3 1740 B11R1.91 CC(=O)CCc1ccncc1 1458a_100011225043_200000210301 [0,1,0,0,0,0|2,0,0]=3 1741 B11R1.91 CC(=O)COc1ccccc1 1458a_100000186222_200000210301 [0,1,0,0,0,0|2,0,0]=3 1742 B11R1.91 CC(=O)COc1ccccn1 1458a_100102699861_200000210301 [0,1,0,0,0,0|3,0,0]=4 1743 B11R1.91 CC(=O)COc1cccnc1 1458a_100015207166_200000210301 [0,1,0,0,0,0|3,0,0]=4 1744 B11R1.91 CC(=O)CSc1ccccc1 1458a_100000211596_200000210301 [0,1,0,0,0,0|2,0,0]=3 1745 B11R1.91 CC(=O)CSc1ccccn1 1458a_100000156281_200000210301 [0,1,0,0,0,0|3,0,0]=4 1746 B11R1.91 CC(=O)CSc1ccncc1 1458a_100000211328_200000210301 [0,1,0,0,0,0|3,0,0]=4 1747 B11R1.91 CC(=O)NCc1ccccc1 11a_100015324214_100015343762 [0,1,0,0,0,0|0,0,0]=1 1748 B11R1.91 CC(=O)NCc1ccccc1 1626a_100015324214_100015343762 [0,1,0,0,0,0|0,0,0]=1 1749 B11R1.91 CC(=O)NCc1ccccc1 240690a_100015324214_100015343762 [0,1,0,0,0,0|0,0,0]=1 1750 B11R1.91 CC(=O)NCc1ccccc1 527a_100015324214_100103153847 [0,1,0,0,0,0|0,0,0]=1 1751 B11R1.91 CC(=O)NCc1ccccn1 11a_100000210449_100015343762 [0,1,0,0,0,0|1,0,0]=2 1752 B11R1.91 CC(=O)NCc1ccccn1 1626a_100000210449_100015343762 [0,1,0,0,0,0|1,0,0]=2 1753 B11R1.91 CC(=O)NCc1ccccn1 240690a_100000210449_100015343762 [0,1,0,0,0,0|1,0,0]=2 1754 B11R1.91 CC(=O)NCc1ccccn1 527a_100000210449_100103153847 [0,1,0,0,0,0|1,0,0]=2 1755 B11R1.91 CC(=O)NCc1cccnc1 11a_100000210453_100015343762 [0,1,0,0,0,0|1,0,0]=2 1756 B11R1.91 CC(=O)NCc1cccnc1 240690a_100000210453_100015343762 [0,1,0,0,0,0|1,0,0]=2 1757 B11R1.91 CC(=O)NCc1cccnc1 527a_100000210453_100103153847 [0,1,0,0,0,0|1,0,0]=2 1758 B11R1.91 CC(=O)NCc1cccnn1 11a_100159270163_100015343762 [0,1,0,0,0,0|2,0,0]=3 1759 B11R1.91 CC(=O)NCc1cccnn1 240690a_100159270163_100015343762 [0,1,0,0,0,0|2,0,0]=3 1760 B11R1.91 CC(=O)NCc1cccnn1 527a_100159270163_100103153847 [0,1,0,0,0,0|2,0,0]=3 1761 B11R1.91 CC(=O)NCc1ccncc1 11a_100000210450_100015343762 [0,1,0,0,0,0|1,0,0]=2 1762 B11R1.91 CC(=O)NCc1ccncc1 1626a_100000210450_100015343762 [0,1,0,0,0,0|1,0,0]=2 1763 B11R1.91 CC(=O)NCc1ccncc1 240690a_100000210450_100015343762 [0,1,0,0,0,0|1,0,0]=2 1764 B11R1.91 CC(=O)NCc1ccncc1 527a_100000210450_100103153847 [0,1,0,0,0,0|1,0,0]=2 1765 B11R1.91 CC(=O)NCc1ccncn1 11a_100000736019_100015343762 [0,1,0,0,0,0|2,0,0]=3 1766 B11R1.91 CC(=O)NCc1ccncn1 240690a_100000736019_100015343762 [0,1,0,0,0,0|2,0,0]=3 1767 B11R1.91 CC(=O)NCc1ccncn1 527a_100000736019_100103153847 [0,1,0,0,0,0|2,0,0]=3 1768 B11R1.91 CC(=O)NCc1cnccn1 11a_100000737960_100015343762 [0,1,0,0,0,0|2,0,0]=3 1769 B11R1.91 CC(=O)NCc1cnccn1 240690a_100000737960_100015343762 [0,1,0,0,0,0|2,0,0]=3 1770 B11R1.91 CC(=O)NCc1cnccn1 527a_100000737960_100103153847 [0,1,0,0,0,0|2,0,0]=3 1771 B11R1.91 CC(=O)NCc1cncnc1 11a_100011243677_100015343762 [0,1,0,0,0,0|2,0,0]=3 1772 B11R1.91 CC(=O)NCc1cncnc1 240690a_100011243677_100015343762 [0,1,0,0,0,0|2,0,0]=3 1773 B11R1.91 CC(=O)NCc1cncnc1 527a_100011243677_100103153847 [0,1,0,0,0,0|2,0,0]=3 1774 B11R1.91 CC(=O)NCc1ncccn1 11a_100015189908_100015343762 [0,1,0,0,0,0|2,0,0]=3 1775 B11R1.91 CC(=O)NCc1ncccn1 240690a_100015189908_100015343762 [0,1,0,0,0,0|2,0,0]=3 1776 B11R1.91 CC(=O)NCc1ncccn1 527a_100015189908_100103153847 [0,1,0,0,0,0|2,0,0]=3 1777 B11R1.91 CC(=O)NNc1ccccc1 22a_100015195140_100000070787 [0,1,0,0,0,0|1,0,0]=2 1778 B11R1.91 CC(=O)NNc1ccccn1 22a_100000183288_100000070787 [0,1,0,0,0,0|2,0,0]=3 1779 B11R1.91 CC(=O)NNc1cccnc1 22a_100000728903_100000070787 [0,1,0,0,0,0|2,0,0]=3 1780 B11R1.91 CC(=O)NNc1cccnn1 22a_100000757824_100000070787 [0,1,0,0,0,0|3,0,0]=4 1781 B11R1.91 CC(=O)NNc1ccncc1 22a_100000698918_100000070787 [0,1,0,0,0,0|2,0,0]=3 1782 B11R1.91 CC(=O)NNc1ccncn1 22a_100011438088_100000070787 [0,1,0,0,0,0|3,0,0]=4 1783 B11R1.91 CC(=O)NNc1cnccn1 22a_100000736894_100000070787 [0,1,0,0,0,0|3,0,0]=4 1784 B11R1.91 CC(=O)NNc1ncccn1 22a_100000736892_100000070787 [0,1,0,0,0,0|3,0,0]=4 1785 B11R1.91 CC(C)NCc1ccccc1 207a_100138425928_100015611070 [0,1,0,0,0,0|1,0,1]=3 1786 B11R1.91 CC(C)NCc1ccccc1 2230a_100015324214_100000210206 [0,1,0,0,0,0|1,0,1]=3 1787 B11R1.91 CC(C)NCc1ccccc1 2230a_100138425928_100015291786 [0,1,0,0,0,0|1,0,1]=3 1788 B11R1.91 CC(C)NCc1ccccc1 34a_100015324214_100000210206 [0,1,0,0,0,0|1,0,1]=3 1789 B11R1.91 CC(C)NCc1ccccc1 34a_100138425928_100015291786 [0,1,0,0,0,0|1,0,1]=3 1790 B11R1.91 CC(C)NCc1ccccn1 207a_100138425928_100000209966 [0,1,0,0,0,0|2,0,1]=4 1791 B11R1.91 CC(C)NCc1ccccn1 2230a_100138425928_100000721315 [0,1,0,0,0,0|2,0,1]=4 1792 B11R1.91 CC(C)NCc1ccccn1 34a_100138425928_100000721315 [0,1,0,0,0,0|2,0,1]=4 1793 B11R1.91 CC(C)NCc1cccnc1 207a_100138425928_100000209961 [0,1,0,0,0,0|2,0,1]=4 1794 B11R1.91 CC(C)NCc1cccnc1 2230a_100138425928_100000741622 [0,1,0,0,0,0|2,0,1]=4 1795 B11R1.91 CC(C)NCc1cccnc1 34a_100138425928_100000733263 [0,1,0,0,0,0|2,0,1]=4 1796 B11R1.91 CC(C)NCc1ccncc1 207a_100138425928_100000186114 [0,1,0,0,0,0|2,0,1]=4 1797 B11R1.91 CC(C)NCc1ccncc1 2230a_100138425928_100015193705 [0,1,0,0,0,0|2,0,1]=4 1798 B11R1.91 CC(C)OCc1ccccc1 34a_100000210790_100000210206 [0,1,0,0,0,0|2,0,1]=4 1799 B11R1.91 CC(C)OCc1ccccc1 34a_100000212225_100015291786 [0,1,0,0,0,0|2,0,1]=4 1800 B11R1.91 CC(C)OCc1ccccc1 7a_100000210790_100000210206 [0,1,0,0,0,0|2,0,1]=4 1801 B11R1.91 CC(C)SCc1ccccc1 62a_100000210206_100015291786 [0,1,0,0,0,0|2,0,1]=4 1802 B11R1.91 CC(C)SCc1ccccc1 62a_100000211182_100000210206 [0,1,0,0,0,0|2,0,1]=4 1803 B11R1.91 CN(C)CCc1ccccc1 2230a_100000207497_200000210301 [0,1,0,0,0,0|3,0,0]=4 1804 B11R1.91 CN(C)CCc1ccccc1 2230a_100102631434_100000765856 [0,1,0,0,0,0|3,0,0]=4 1805 B11R1.91 CN(C)CCc1ccccc1 269982a_100000207497_200000210301 [0,1,0,0,0,0|3,0,0]=4 1806 B11R1.91 CN(C)CCc1ccccc1 269982a_100102631434_100000765856 [0,1,0,0,0,0|3,0,0]=4 1807 B11R1.91 CN([13CH3])CCc1ccccc1 2230a_100000207497_200025704644 [0,1,0,0,0,0|3,0,0]=4 1808 B11R1.91 CN([13CH3])CCc1ccccc1 269982a_100000207497_200025704644 [0,1,0,0,0,0|3,0,0]=4 1809 B11R1.91 NC(=O)CNc1ccccc1 34a_100000106764_100000187820 [0,1,0,0,0,0|2,0,0]=3 1810 B11R1.91 NC(=O)COc1ccccc1 34a_100000210340_100000187820 [0,1,0,0,0,0|2,0,0]=3 1811 B11R1.91 NC(=O)COc1ccccc1 7a_100000210340_100000187820 [0,1,0,0,0,0|2,0,0]=3 1812 B11R1.91 NC(=O)COc1cccnc1 34a_100000210849_100000187820 [0,1,0,0,0,0|3,0,0]=4 1813 B11R1.91 NC(=O)COc1cccnc1 7a_100000210849_100000187820 [0,1,0,0,0,0|3,0,0]=4 1814 B11R1.91 NC(=O)COc1ccncc1 34a_100000212176_100000187820 [0,1,0,0,0,0|3,0,0]=4 1815 B11R1.91 NC(=O)CSc1ccccc1 62a_100000719477_100000747473 [0,1,0,0,0,0|2,0,0]=3 1816 B11R1.91 NC(=O)CSc1ccccc1 62a_100000747473_100000041952 [0,1,0,0,0,0|2,0,0]=3 1817 B11R1.91 NC(=O)CSc1ccccn1 62a_100000747473_100011216584 [0,1,0,0,0,0|3,0,0]=4 1818 B11R1.91 NC(=O)CSc1ccccn1 62a_100011216584_100000747473 [0,1,0,0,0,0|3,0,0]=4 1819 B11R1.91 NC(=O)CSc1cccnc1 62a_100000210063_100000747473 [0,1,0,0,0,0|3,0,0]=4 1820 B11R1.91 NC(=O)CSc1cccnc1 62a_100000747473_100000210063 [0,1,0,0,0,0|3,0,0]=4 1821 B11R1.91 NC(=O)CSc1ccncc1 62a_100000728582_100000747473 [0,1,0,0,0,0|3,0,0]=4 1822 B11R1.91 NC(=O)CSc1ccncc1 62a_100000747473_100000728582 [0,1,0,0,0,0|3,0,0]=4 1823 B11R1.91 O=C([O-])CNc1ccccc1 34a_100000106764_100020667443 [0,1,0,0,0,0|2,0,0]=3 1824 B11R1.91 O=C([O-])COc1ccccc1 34a_100000210340_100020667443 [0,1,0,0,0,0|2,0,0]=3 1825 B11R1.91 O=C([O-])COc1cccnc1 34a_100000210849_100020667443 [0,1,0,0,0,0|3,0,0]=4 1826 B11R1.91 O=C([O-])COc1ccncc1 34a_100000212176_100020667443 [0,1,0,0,0,0|3,0,0]=4 1827 B11R1.91 O=C([O-])CSc1ccccc1 62a_100000719477_100020667443 [0,1,0,0,0,0|2,0,0]=3 1828 B11R1.91 O=C([O-])CSc1ccccc1 62a_100020667443_100000041952 [0,1,0,0,0,0|2,0,0]=3 1829 B11R1.91 O=C([O-])CSc1ccccn1 62a_100011216584_100020667443 [0,1,0,0,0,0|3,0,0]=4 1830 B11R1.91 O=C([O-])CSc1ccccn1 62a_100020667443_100011216584 [0,1,0,0,0,0|3,0,0]=4 1831 B11R1.91 O=C([O-])CSc1cccnc1 62a_100000210063_100020667443 [0,1,0,0,0,0|3,0,0]=4 1832 B11R1.91 O=C([O-])CSc1cccnc1 62a_100020667443_100000210063 [0,1,0,0,0,0|3,0,0]=4 1833 B11R1.91 O=C([O-])CSc1ccncc1 62a_100000728582_100020667443 [0,1,0,0,0,0|3,0,0]=4 1834 B11R1.91 O=C([O-])CSc1ccncc1 62a_100020667443_100000728582 [0,1,0,0,0,0|3,0,0]=4 1835 B11R1.91 O=[N+]([O-])CNc1ccccc1 34a_100000106764_100000761209 [0,1,0,0,0,0|3,0,0]=4 1836 B11R1.91 O=[N+]([O-])COc1ccccc1 34a_100000210340_100000761209 [0,1,0,0,0,0|3,0,0]=4 1837 B11R1.91 O=[N+]([O-])CSc1ccccc1 62a_100000719477_100000761209 [0,1,0,0,0,0|3,0,0]=4 1838 B11R1.91 [13CH3]C(=O)C#Cc1ccccc1 1458a_100000736102_200025704644 [0,1,0,0,0,0|1,0,1]=3 1839 B11R1.91 [13CH3]C(=O)C#Cc1ccccn1 1458a_102125277312_200025704644 [0,1,0,0,0,0|2,0,1]=4 1840 B11R1.91 [13CH3]C(=O)C=Cc1ccccc1 1458a_100000210462_200025704644 [0,1,0,0,0,0|1,0,1]=3 1841 B11R1.91 [13CH3]C(=O)C=Cc1ccccn1 1458a_100000740811_200025704644 [0,1,0,0,0,0|2,0,1]=4 1842 B11R1.91 [13CH3]C(=O)C=Cc1cccnc1 1458a_100000735890_200025704644 [0,1,0,0,0,0|2,0,1]=4 1843 B11R1.91 [13CH3]C(=O)C=Cc1ccncc1 1458a_100000682801_200025704644 [0,1,0,0,0,0|2,0,1]=4 1844 B11R1.91 [13CH3]C(=O)CCc1ccccc1 1458a_100000185753_200025704644 [0,1,0,0,0,0|1,0,0]=2 1845 B11R1.91 [13CH3]C(=O)CCc1ccccn1 1458a_100015195070_200025704644 [0,1,0,0,0,0|2,0,0]=3 1846 B11R1.91 [13CH3]C(=O)CCc1cccnc1 1458a_100000198484_200025704644 [0,1,0,0,0,0|2,0,0]=3 1847 B11R1.91 [13CH3]C(=O)CCc1ccncc1 1458a_100011225043_200025704644 [0,1,0,0,0,0|2,0,0]=3 1848 B11R1.91 [13CH3]C(=O)COc1ccccc1 1458a_100000186222_200025704644 [0,1,0,0,0,0|2,0,0]=3 1849 B11R1.91 [13CH3]C(=O)COc1ccccn1 1458a_100102699861_200025704644 [0,1,0,0,0,0|3,0,0]=4 1850 B11R1.91 [13CH3]C(=O)COc1cccnc1 1458a_100015207166_200025704644 [0,1,0,0,0,0|3,0,0]=4 1851 B11R1.91 [13CH3]C(=O)CSc1ccccc1 1458a_100000211596_200025704644 [0,1,0,0,0,0|2,0,0]=3 1852 B11R1.91 [13CH3]C(=O)CSc1ccccn1 1458a_100000156281_200025704644 [0,1,0,0,0,0|3,0,0]=4 1853 B11R1.91 [13CH3]C(=O)CSc1ccncc1 1458a_100000211328_200025704644 [0,1,0,0,0,0|3,0,0]=4 1854 B9R0.18 C=CC=CC(=O)C/C=C/C 1458a_100016291481_100102629194 [0,0,1,0,0,0|3,0,0]=4 1855 B9R0.18 C=CC=CC(=O)CC=CC 1458a_100016291481_100000070051 [0,0,1,0,0,0|3,0,0]=4 1856 B9R0.18 C=CC=CC(=O)CCC=C 1458a_100016291481_100000754431 [0,0,1,0,0,0|3,0,0]=4 1857 B11R2.1 Oc1coc2c1cccc2 271570a_203496583355_100009812202 [0,0,0,1,0,0|2,0,1]=4 1858 B11R2.1 Oc1csc2c1cccc2 271570a_203496583355_100009813928 [0,0,0,1,0,0|2,0,1]=4 1859 B11R2.1 Oc1n[nH]c2c1cccc2 271570a_203496583355_100000050141 [0,0,0,1,0,0|1,0,2]=4 1860 B11R2.988 CNC1Cc2c1cccc2 7a_106832991635_100009813401 [0,0,0,1,0,0|3,0,0]=4 1861 B11R2.988 CSC1Cc2c1cccc2 62a_100009813401_200000210301 [0,0,0,1,0,0|3,0,0]=4 1862 B11R2.988 CSC1Cc2c1cccc2 62a_200000210301_100009813401 [0,0,0,1,0,0|3,0,0]=4 1863 B11R2.988 [13CH3]SC1Cc2c1cccc2 62a_100009813401_200025704644 [0,0,0,1,0,0|3,0,0]=4 1864 B11R2.988 [13CH3]SC1Cc2c1cccc2 62a_200025704644_100009813401 [0,0,0,1,0,0|3,0,0]=4 1865 B9R1.12 CCNCc1ccco1 207a_100015525214_100000186105 [0,0,0,0,1,0|2,0,1]=4 1866 B9R1.12 CCNCc1ccco1 2230a_100000185738_100000210202 [0,0,0,0,1,0|2,0,1]=4 1867 B9R1.12 CCNCc1ccco1 270004a_100015525214_100000186105 [0,0,0,0,1,0|2,0,1]=4 1868 B9R1.12 CCNCc1ccco1 34a_100000185738_100000210202 [0,0,0,0,1,0|2,0,1]=4 1869 B9R1.12 CCNCc1cccs1 207a_100015525214_100000209959 [0,0,0,0,1,0|2,0,1]=4 1870 B9R1.12 CCNCc1cccs1 2230a_100000211653_100000210202 [0,0,0,0,1,0|2,0,1]=4 1871 B9R1.12 CCNCc1cccs1 270004a_100015525214_100000209959 [0,0,0,0,1,0|2,0,1]=4 1872 B9R1.12 CCNCc1ccoc1 207a_100015525214_100011215517 [0,0,0,0,1,0|2,0,1]=4 1873 B9R1.12 CCNCc1ccoc1 2230a_100015206860_100000210202 [0,0,0,0,1,0|2,0,1]=4 1874 B9R1.12 CCNCc1ccoc1 270004a_100015525214_100011215517 [0,0,0,0,1,0|2,0,1]=4 1875 B9R1.12 CCNCc1ccoc1 34a_100015206860_100000210202 [0,0,0,0,1,0|2,0,1]=4 1876 B9R1.12 CCNCc1ccsc1 207a_100015525214_100000188534 [0,0,0,0,1,0|2,0,1]=4 1877 B9R1.12 CCNCc1ccsc1 2230a_100000186416_100000210202 [0,0,0,0,1,0|2,0,1]=4 1878 B9R1.12 CCNCc1ccsc1 2230a_100015525214_100011261437 [0,0,0,0,1,0|2,0,1]=4 1879 B9R1.12 CCNCc1ccsc1 270004a_100015525214_100000188534 [0,0,0,0,1,0|2,0,1]=4 1880 B9R1.12 CCNCc1ccsc1 34a_100000186416_100000210202 [0,0,0,0,1,0|2,0,1]=4 1881 B9R1.12 FCNCc1ccco1 34a_100000185738_100015361967 [0,0,0,0,1,0|2,0,1]=4 1882 B9R1.12 FCNCc1ccoc1 34a_100015206860_100015361967 [0,0,0,0,1,0|2,0,1]=4 1883 B9R1.12 FCNCc1ccsc1 34a_100000186416_100015361967 [0,0,0,0,1,0|2,0,1]=4 1884 B9R1.12 O=CCOc1ccsc1 34a_100000106738_200009817547 [0,0,0,0,1,0|3,0,0]=4 1885 B9R1.12 O=CCOc1ccsc1 7a_100000106738_200015260668 [0,0,0,0,1,0|3,0,0]=4 1886 B9R1.12 O=CCSc1ccco1 62a_100009814098_200015260668 [0,0,0,0,1,0|3,0,0]=4 1887 B9R1.12 O=CCSc1ccco1 62a_200015260668_100009814098 [0,0,0,0,1,0|3,0,0]=4 1888 B9R1.12 O=CCSc1cccs1 62a_100011215356_200015260668 [0,0,0,0,1,0|3,0,0]=4 1889 B9R1.12 O=CCSc1cccs1 62a_200015260668_100011215356 [0,0,0,0,1,0|3,0,0]=4 1890 B9R1.12 O=CCSc1ccoc1 62a_100011215275_200015260668 [0,0,0,0,1,0|3,0,0]=4 1891 B9R1.12 O=CCSc1ccoc1 62a_200015260668_100011215275 [0,0,0,0,1,0|3,0,0]=4 1892 B9R1.12 O=CCSc1ccsc1 62a_100000738268_200015260668 [0,0,0,0,1,0|3,0,0]=4 1893 B9R1.12 O=CCSc1ccsc1 62a_200015260668_100000738268 [0,0,0,0,1,0|3,0,0]=4 1894 B8R0.1 C=CC=CC(=O)CC=C 1458a_100016291481_100000210623 [1,0,1,0,0,0|2,0,0]=4 1895 B8R1.2 C=Cc1ccccc1 271570a_100011290941_100000210277 [2,0,0,0,0,0|0,0,1]=3 1896 B8R1.2 C=Cc1ccccn1 271570a_100011290941_100011216584 [2,0,0,0,0,0|1,0,1]=4 1897 B8R1.2 C=Cc1cccnc1 271570a_100011290941_100000752921 [2,0,0,0,0,0|1,0,1]=4 1898 B8R1.2 C=Cc1ccncc1 271570a_100011290941_100000035832 [2,0,0,0,0,0|1,0,1]=4 1899 B8R1.2 CNc1ccccc1 34a_100000106764_200000210301 [2,0,0,0,0,0|0,0,1]=3 1900 B8R1.2 COc1ccccc1 34a_100000210340_200000210301 [2,0,0,0,0,0|1,0,1]=4 1901 B8R1.2 COc1ccccc1 7a_100000210340_200000210301 [2,0,0,0,0,0|1,0,1]=4 1902 B8R1.2 CSc1ccccc1 62a_100000719477_200000210301 [2,0,0,0,0,0|1,0,1]=4 1903 B8R1.2 CSc1ccccc1 62a_200000210301_100000041952 [2,0,0,0,0,0|1,0,1]=4 1904 B8R1.2 [13CH3]Nc1ccccc1 34a_100000106764_200025704644 [2,0,0,0,0,0|0,0,1]=3 1905 B8R1.2 [13CH3]Oc1ccccc1 34a_100000210340_200025704644 [2,0,0,0,0,0|1,0,1]=4 1906 B8R1.2 [13CH3]Oc1ccccc1 7a_100000210340_200025704644 [2,0,0,0,0,0|1,0,1]=4 1907 B8R1.2 [13CH3]Sc1ccccc1 62a_100000719477_200025704644 [2,0,0,0,0,0|1,0,1]=4 1908 B8R1.2 [13CH3]Sc1ccccc1 62a_200025704644_100000041952 [2,0,0,0,0,0|1,0,1]=4 1909 B10R0.78 C=CC=CC(=O)NNC(=O)C 22a_100000189765_100016291481 [0,1,1,0,0,0|2,0,0]=4 1910 B10R0.4 CC=CC=CC=NNC(=O)C 4a_100000189765_100000691131 [0,1,1,0,0,0|1,0,1]=4 1911 B10R1.1 C/C=C/c1ccc(cc1)O 271570a_203496583355_100016259036 [1,1,0,0,0,0|1,0,1]=4 1912 B10R1.1 C=C=Cc1ccc(cc1)Br 271570a_100015277604_100000752885 [1,1,0,0,0,0|1,0,1]=4 1913 B10R1.1 C=C=Cc1ccc(cc1)C 271570a_100015277604_100000186775 [1,1,0,0,0,0|1,0,1]=4 1914 B10R1.1 C=C=Cc1ccc(cc1)Cl 271570a_100015277604_100000755918 [1,1,0,0,0,0|1,0,1]=4 1915 B10R1.1 C=C=Cc1ccc(cc1)F 271570a_100015277604_100000211213 [1,1,0,0,0,0|1,0,1]=4 1916 B10R1.1 C=C=Cc1ccc(cc1)N 271570a_100015277604_100000185761 [1,1,0,0,0,0|1,0,1]=4 1917 B10R1.1 C=C=Cc1ccc(cc1)O 271570a_100015277604_100000185759 [1,1,0,0,0,0|1,0,1]=4 1918 B10R1.1 CC=Cc1ccc(cc1)Br 271570a_100016259895_100000752885 [1,1,0,0,0,0|1,0,1]=4 1919 B10R1.1 CC=Cc1ccc(cc1)C 271570a_100016259895_100000186775 [1,1,0,0,0,0|1,0,1]=4 1920 B10R1.1 CC=Cc1ccc(cc1)Cl 271570a_100016259895_100000755918 [1,1,0,0,0,0|1,0,1]=4 1921 B10R1.1 CC=Cc1ccc(cc1)F 271570a_100016259895_100000211213 [1,1,0,0,0,0|1,0,1]=4 1922 B10R1.1 CC=Cc1ccc(cc1)N 271570a_100016259895_100000185761 [1,1,0,0,0,0|1,0,1]=4 1923 B10R1.1 CC=Cc1ccc(cc1)O 271570a_100016259895_100000185759 [1,1,0,0,0,0|1,0,1]=4 1924 B10R1.1 CCCc1ccc(cc1)O 271570a_203496583355_100000750032 [1,1,0,0,0,0|1,0,1]=4 1925 B10R1.1 CCNc1ccc(cc1)Br 2230a_100000210018_100000210202 [1,1,0,0,0,0|1,0,1]=4 1926 B10R1.1 CCNc1ccc(cc1)Br 34a_100000210018_100000210202 [1,1,0,0,0,0|1,0,1]=4 1927 B10R1.1 CCNc1ccc(cc1)C 34a_100000124888_100000210202 [1,1,0,0,0,0|1,0,1]=4 1928 B10R1.1 CCNc1ccc(cc1)Cl 2230a_100000210052_100000210202 [1,1,0,0,0,0|1,0,1]=4 1929 B10R1.1 CCNc1ccc(cc1)Cl 34a_100000210052_100000210202 [1,1,0,0,0,0|1,0,1]=4 1930 B10R1.1 CCNc1ccc(cc1)F 34a_100000185862_100000210202 [1,1,0,0,0,0|1,0,1]=4 1931 B10R1.1 CCNc1ccc(cc1)I 34a_100000185761_100000210202 [1,1,0,0,0,0|1,0,1]=4 1932 B10R1.1 CCNc1ccc(cc1)O 271570a_203496583355_100000219632 [1,1,0,0,0,0|1,0,1]=4 1933 B10R1.1 CCNc1ccc(cc1)O 34a_100000185829_100000210202 [1,1,0,0,0,0|1,0,1]=4 1934 B10R1.1 CNCc1ccc(cc1)Br 207a_100102657272_100000186029 [1,1,0,0,0,0|0,0,1]=3 1935 B10R1.1 CNCc1ccc(cc1)Br 2230a_100000174875_200000210301 [1,1,0,0,0,0|0,0,1]=3 1936 B10R1.1 CNCc1ccc(cc1)Br 2230a_106832991635_100011217064 [1,1,0,0,0,0|0,0,1]=3 1937 B10R1.1 CNCc1ccc(cc1)Br 26a_100102657272_100000185759 [1,1,0,0,0,0|0,0,1]=3 1938 B10R1.1 CNCc1ccc(cc1)Br 270004a_106832991635_100000186029 [1,1,0,0,0,0|0,0,1]=3 1939 B10R1.1 CNCc1ccc(cc1)Br 34a_100000174875_200000210301 [1,1,0,0,0,0|0,0,1]=3 1940 B10R1.1 CNCc1ccc(cc1)Br 34a_100102657272_100000189115 [1,1,0,0,0,0|0,0,1]=3 1941 B10R1.1 CNCc1ccc(cc1)Br 7a_106832991635_100011217064 [1,1,0,0,0,0|0,0,1]=3 1942 B10R1.1 CNCc1ccc(cc1)C 207a_100102657272_100000211033 [1,1,0,0,0,0|0,0,1]=3 1943 B10R1.1 CNCc1ccc(cc1)C 2230a_100000174908_200000210301 [1,1,0,0,0,0|0,0,1]=3 1944 B10R1.1 CNCc1ccc(cc1)C 2230a_106832991635_100000210814 [1,1,0,0,0,0|0,0,1]=3 1945 B10R1.1 CNCc1ccc(cc1)C 26a_100102657272_200020625495 [1,1,0,0,0,0|0,0,1]=3 1946 B10R1.1 CNCc1ccc(cc1)C 270004a_106832991635_100000211033 [1,1,0,0,0,0|0,0,1]=3 1947 B10R1.1 CNCc1ccc(cc1)C 34a_100000174908_200000210301 [1,1,0,0,0,0|0,0,1]=3 1948 B10R1.1 CNCc1ccc(cc1)C 34a_100102657272_100000210814 [1,1,0,0,0,0|0,0,1]=3 1949 B10R1.1 CNCc1ccc(cc1)C 7a_106832991635_100000210814 [1,1,0,0,0,0|0,0,1]=3 1950 B10R1.1 CNCc1ccc(cc1)Cl 207a_100102657272_100000189385 [1,1,0,0,0,0|0,0,1]=3 1951 B10R1.1 CNCc1ccc(cc1)Cl 2230a_100000174871_200000210301 [1,1,0,0,0,0|0,0,1]=3 1952 B10R1.1 CNCc1ccc(cc1)Cl 2230a_106832991635_100000694040 [1,1,0,0,0,0|0,0,1]=3 1953 B10R1.1 CNCc1ccc(cc1)Cl 270004a_106832991635_100000189385 [1,1,0,0,0,0|0,0,1]=3 1954 B10R1.1 CNCc1ccc(cc1)Cl 34a_100000174871_200000210301 [1,1,0,0,0,0|0,0,1]=3 1955 B10R1.1 CNCc1ccc(cc1)Cl 34a_100102657272_100000694040 [1,1,0,0,0,0|0,0,1]=3 1956 B10R1.1 CNCc1ccc(cc1)Cl 7a_106832991635_100000187161 [1,1,0,0,0,0|0,0,1]=3 1957 B10R1.1 CNCc1ccc(cc1)F 207a_100102657272_100000210084 [1,1,0,0,0,0|0,0,1]=3 1958 B10R1.1 CNCc1ccc(cc1)F 2230a_100000174882_200000210301 [1,1,0,0,0,0|0,0,1]=3 1959 B10R1.1 CNCc1ccc(cc1)F 2230a_106832991635_100000198546 [1,1,0,0,0,0|0,0,1]=3 1960 B10R1.1 CNCc1ccc(cc1)F 270004a_106832991635_100000210084 [1,1,0,0,0,0|0,0,1]=3 1961 B10R1.1 CNCc1ccc(cc1)F 34a_100000174882_200000210301 [1,1,0,0,0,0|0,0,1]=3 1962 B10R1.1 CNCc1ccc(cc1)F 34a_100102657272_100000198546 [1,1,0,0,0,0|0,0,1]=3 1963 B10R1.1 CNCc1ccc(cc1)F 7a_106832991635_100000198546 [1,1,0,0,0,0|0,0,1]=3 1964 B10R1.1 CNCc1ccc(cc1)I 207a_100102657272_100000188517 [1,1,0,0,0,0|0,0,1]=3 1965 B10R1.1 CNCc1ccc(cc1)I 2230a_100016989417_200000210301 [1,1,0,0,0,0|0,0,1]=3 1966 B10R1.1 CNCc1ccc(cc1)I 2230a_106832991635_100000189116 [1,1,0,0,0,0|0,0,1]=3 1967 B10R1.1 CNCc1ccc(cc1)I 34a_100016989417_200000210301 [1,1,0,0,0,0|0,0,1]=3 1968 B10R1.1 CNCc1ccc(cc1)I 34a_100102657272_100000189116 [1,1,0,0,0,0|0,0,1]=3 1969 B10R1.1 CNCc1ccc(cc1)I 7a_106832991635_100000189116 [1,1,0,0,0,0|0,0,1]=3 1970 B10R1.1 CNCc1ccc(cc1)O 271570a_203496583355_100000180866 [1,1,0,0,0,0|0,0,1]=3 1971 B10R1.1 CNCc1ccc(cc1)O 34a_100000185549_200000210301 [1,1,0,0,0,0|0,0,1]=3 1972 B10R1.1 CNCc1ccc(cn1)Br 207a_100102657272_100000754260 [1,1,0,0,0,0|1,0,1]=4 1973 B10R1.1 CNCc1ccc(cn1)Br 2230a_106832991635_100000702658 [1,1,0,0,0,0|1,0,1]=4 1974 B10R1.1 CNCc1ccc(cn1)Br 270004a_106832991635_100000754260 [1,1,0,0,0,0|1,0,1]=4 1975 B10R1.1 CNCc1ccc(cn1)Br 34a_100015188789_200000210301 [1,1,0,0,0,0|1,0,1]=4 1976 B10R1.1 CNCc1ccc(cn1)Br 34a_100102657272_100000702658 [1,1,0,0,0,0|1,0,1]=4 1977 B10R1.1 CNCc1ccc(cn1)Br 7a_106832991635_100000702658 [1,1,0,0,0,0|1,0,1]=4 1978 B10R1.1 CNCc1ccc(cn1)C 207a_100102657272_100000050478 [1,1,0,0,0,0|1,0,1]=4 1979 B10R1.1 CNCc1ccc(cn1)C 2230a_106832991635_100000691093 [1,1,0,0,0,0|1,0,1]=4 1980 B10R1.1 CNCc1ccc(cn1)C 270004a_106832991635_100000050478 [1,1,0,0,0,0|1,0,1]=4 1981 B10R1.1 CNCc1ccc(cn1)C 34a_100015187455_200000210301 [1,1,0,0,0,0|1,0,1]=4 1982 B10R1.1 CNCc1ccc(cn1)C 34a_100102657272_100000691093 [1,1,0,0,0,0|1,0,1]=4 1983 B10R1.1 CNCc1ccc(cn1)C 7a_106832991635_100000691093 [1,1,0,0,0,0|1,0,1]=4 1984 B10R1.1 CNCc1ccc(cn1)Cl 207a_100102657272_100011361569 [1,1,0,0,0,0|1,0,1]=4 1985 B10R1.1 CNCc1ccc(cn1)Cl 2230a_106832991635_100012066911 [1,1,0,0,0,0|1,0,1]=4 1986 B10R1.1 CNCc1ccc(cn1)Cl 270004a_106832991635_100011361569 [1,1,0,0,0,0|1,0,1]=4 1987 B10R1.1 CNCc1ccc(cn1)Cl 34a_100000697193_200000210301 [1,1,0,0,0,0|1,0,1]=4 1988 B10R1.1 CNCc1ccc(cn1)Cl 34a_100102657272_100012066911 [1,1,0,0,0,0|1,0,1]=4 1989 B10R1.1 CNCc1ccc(cn1)Cl 7a_106832991635_100012066911 [1,1,0,0,0,0|1,0,1]=4 1990 B10R1.1 CNCc1ccc(cn1)F 207a_100102657272_100011934744 [1,1,0,0,0,0|1,0,1]=4 1991 B10R1.1 CNCc1ccc(cn1)F 2230a_106832991635_100000703193 [1,1,0,0,0,0|1,0,1]=4 1992 B10R1.1 CNCc1ccc(cn1)F 270004a_106832991635_100011934744 [1,1,0,0,0,0|1,0,1]=4 1993 B10R1.1 CNCc1ccc(cn1)F 34a_100020620131_200000210301 [1,1,0,0,0,0|1,0,1]=4 1994 B10R1.1 CNCc1ccc(cn1)F 34a_100102657272_100000703193 [1,1,0,0,0,0|1,0,1]=4 1995 B10R1.1 CNCc1ccc(cn1)F 7a_106832991635_100000703193 [1,1,0,0,0,0|1,0,1]=4 1996 B10R1.1 CNCc1ccc(nc1)Br 2230a_100009817727_200000210301 [1,1,0,0,0,0|1,0,1]=4 1997 B10R1.1 CNCc1ccc(nc1)Br 2230a_106832991635_100009831999 [1,1,0,0,0,0|1,0,1]=4 1998 B10R1.1 CNCc1ccc(nc1)Br 34a_100009817727_200000210301 [1,1,0,0,0,0|1,0,1]=4 1999 B10R1.1 CNCc1ccc(nc1)Br 34a_100102657272_100009831999 [1,1,0,0,0,0|1,0,1]=4 2000 B10R1.1 CNCc1ccc(nc1)Br 7a_106832991635_100009831999 [1,1,0,0,0,0|1,0,1]=4 2001 B10R1.1 CNCc1ccc(nc1)C 2230a_106832991635_100016987292 [1,1,0,0,0,0|1,0,1]=4 2002 B10R1.1 CNCc1ccc(nc1)C 270004a_106832991635_100000743784 [1,1,0,0,0,0|1,0,1]=4 2003 B10R1.1 CNCc1ccc(nc1)C 34a_100000740942_200000210301 [1,1,0,0,0,0|1,0,1]=4 2004 B10R1.1 CNCc1ccc(nc1)C 34a_100102657272_100016987292 [1,1,0,0,0,0|1,0,1]=4 2005 B10R1.1 CNCc1ccc(nc1)C 7a_106832991635_100016987292 [1,1,0,0,0,0|1,0,1]=4 2006 B10R1.1 CNCc1ccc(nc1)Cl 2230a_100000735879_200000210301 [1,1,0,0,0,0|1,0,1]=4 2007 B10R1.1 CNCc1ccc(nc1)Cl 2230a_106832991635_100000735431 [1,1,0,0,0,0|1,0,1]=4 2008 B10R1.1 CNCc1ccc(nc1)Cl 34a_100000735879_200000210301 [1,1,0,0,0,0|1,0,1]=4 2009 B10R1.1 CNCc1ccc(nc1)Cl 34a_100102657272_100000735431 [1,1,0,0,0,0|1,0,1]=4 2010 B10R1.1 CNCc1ccc(nc1)Cl 7a_106832991635_100000735431 [1,1,0,0,0,0|1,0,1]=4 2011 B10R1.1 CNCc1ccc(nc1)F 2230a_100000101913_200000210301 [1,1,0,0,0,0|1,0,1]=4 2012 B10R1.1 CNCc1ccc(nc1)F 2230a_106832991635_100009820150 [1,1,0,0,0,0|1,0,1]=4 2013 B10R1.1 CNCc1ccc(nc1)F 34a_100000101913_200000210301 [1,1,0,0,0,0|1,0,1]=4 2014 B10R1.1 CNCc1ccc(nc1)F 34a_100102657272_100000099788 [1,1,0,0,0,0|1,0,1]=4 2015 B10R1.1 CNCc1ccc(nc1)F 7a_106832991635_100009820150 [1,1,0,0,0,0|1,0,1]=4 2016 B10R1.1 CNCc1ccc(nc1)O 207a_100102657272_100011361521 [1,1,0,0,0,0|1,0,1]=4 2017 B10R1.1 CNCc1ccc(nc1)O 2230a_100000757128_200000210301 [1,1,0,0,0,0|1,0,1]=4 2018 B10R1.1 CNCc1ccc(nc1)O 271570a_203496583355_100000026953 [1,1,0,0,0,0|1,0,1]=4 2019 B10R1.1 COCc1ccc(cc1)Br 34a_100000695286_200000210301 [1,1,0,0,0,0|1,0,1]=4 2020 B10R1.1 COCc1ccc(cc1)Br 34a_100138415774_100000189115 [1,1,0,0,0,0|1,0,1]=4 2021 B10R1.1 COCc1ccc(cc1)C 34a_100011215236_200000210301 [1,1,0,0,0,0|1,0,1]=4 2022 B10R1.1 COCc1ccc(cc1)C 34a_100138415774_100000210814 [1,1,0,0,0,0|1,0,1]=4 2023 B10R1.1 COCc1ccc(cc1)C 7a_100011215236_200000210301 [1,1,0,0,0,0|1,0,1]=4 2024 B10R1.1 COCc1ccc(cc1)Cl 34a_100000211118_200000210301 [1,1,0,0,0,0|1,0,1]=4 2025 B10R1.1 COCc1ccc(cc1)Cl 34a_100138415774_100000694040 [1,1,0,0,0,0|1,0,1]=4 2026 B10R1.1 COCc1ccc(cc1)Cl 7a_100000211118_200000210301 [1,1,0,0,0,0|1,0,1]=4 2027 B10R1.1 COCc1ccc(cc1)F 34a_100000210977_200000210301 [1,1,0,0,0,0|1,0,1]=4 2028 B10R1.1 COCc1ccc(cc1)F 34a_100138415774_100000198546 [1,1,0,0,0,0|1,0,1]=4 2029 B10R1.1 COCc1ccc(cc1)F 7a_100000210977_200000210301 [1,1,0,0,0,0|1,0,1]=4 2030 B10R1.1 COCc1ccc(cc1)I 34a_100000690907_200000210301 [1,1,0,0,0,0|1,0,1]=4 2031 B10R1.1 COCc1ccc(cc1)I 34a_100138415774_100000189116 [1,1,0,0,0,0|1,0,1]=4 2032 B10R1.1 COCc1ccc(cc1)I 7a_100000690907_200000210301 [1,1,0,0,0,0|1,0,1]=4 2033 B10R1.1 COCc1ccc(cc1)N 34a_100011215238_200000210301 [1,1,0,0,0,0|1,0,1]=4 2034 B10R1.1 COCc1ccc(cc1)O 271570a_203496583355_100011493685 [1,1,0,0,0,0|1,0,1]=4 2035 B10R1.1 CSCc1ccc(cc1)Br 62a_100000189115_200000210301 [1,1,0,0,0,0|1,0,1]=4 2036 B10R1.1 CSCc1ccc(cc1)Br 62a_200000210301_100000189115 [1,1,0,0,0,0|1,0,1]=4 2037 B10R1.1 CSCc1ccc(cc1)C 62a_100000210814_200000210301 [1,1,0,0,0,0|1,0,1]=4 2038 B10R1.1 CSCc1ccc(cc1)C 62a_200000210301_100000210814 [1,1,0,0,0,0|1,0,1]=4 2039 B10R1.1 CSCc1ccc(cc1)Cl 62a_100000187161_200000210301 [1,1,0,0,0,0|1,0,1]=4 2040 B10R1.1 CSCc1ccc(cc1)Cl 62a_200000210301_100000187161 [1,1,0,0,0,0|1,0,1]=4 2041 B10R1.1 CSCc1ccc(cc1)F 62a_100000198546_200000210301 [1,1,0,0,0,0|1,0,1]=4 2042 B10R1.1 CSCc1ccc(cc1)F 62a_200000210301_100000187164 [1,1,0,0,0,0|1,0,1]=4 2043 B10R1.1 CSCc1ccc(cc1)I 62a_100000189116_200000210301 [1,1,0,0,0,0|1,0,1]=4 2044 B10R1.1 CSCc1ccc(cc1)I 62a_200000210301_100000189116 [1,1,0,0,0,0|1,0,1]=4 2045 B10R1.1 Cc1ccc(cc1)CN[13CH3] 2230a_100000174908_200025704644 [1,1,0,0,0,0|0,0,1]=3 2046 B10R1.1 Cc1ccc(cc1)CN[13CH3] 34a_100000174908_200025704644 [1,1,0,0,0,0|0,0,1]=3 2047 B10R1.1 Cc1ccc(cc1)CO[13CH3] 34a_100011215236_200025704644 [1,1,0,0,0,0|1,0,1]=4 2048 B10R1.1 Cc1ccc(cc1)CO[13CH3] 7a_100011215236_200025704644 [1,1,0,0,0,0|1,0,1]=4 2049 B10R1.1 Cc1ccc(cc1)CS[13CH3] 62a_100000210814_200025704644 [1,1,0,0,0,0|1,0,1]=4 2050 B10R1.1 Cc1ccc(cc1)CS[13CH3] 62a_200025704644_100000210814 [1,1,0,0,0,0|1,0,1]=4 2051 B10R1.1 Cc1ccc(cc1)NCF 34a_100000124888_100015361967 [1,1,0,0,0,0|1,0,1]=4 2052 B10R1.1 Cc1ccc(cn1)CN[13CH3] 34a_100000740942_200025704644 [1,1,0,0,0,0|1,0,1]=4 2053 B10R1.1 Cc1ccc(nc1)CN[13CH3] 34a_100015187455_200025704644 [1,1,0,0,0,0|1,0,1]=4 2054 B10R1.1 FCNc1ccc(cc1)Br 34a_100000210018_100015361967 [1,1,0,0,0,0|1,0,1]=4 2055 B10R1.1 FCNc1ccc(cc1)Cl 34a_100000210052_100015361967 [1,1,0,0,0,0|1,0,1]=4 2056 B10R1.1 FCNc1ccc(cc1)F 34a_100000185862_100015361967 [1,1,0,0,0,0|1,0,1]=4 2057 B10R1.1 FCNc1ccc(cc1)I 34a_100000185761_100015361967 [1,1,0,0,0,0|1,0,1]=4 2058 B10R1.1 N#CCc1ccc(cc1)O 271570a_203496583355_100011217881 [1,1,0,0,0,0|1,0,1]=4 2059 B10R1.1 N#CNc1ccc(cc1)O 271570a_203496583355_100011685341 [1,1,0,0,0,0|1,0,1]=4 2060 B10R1.1 NCCc1ccc(cc1)O 271570a_203496583355_100000755846 [1,1,0,0,0,0|1,0,1]=4 2061 B10R1.1 NNCc1ccc(cc1)O 271570a_203496583355_100016993955 [1,1,0,0,0,0|1,0,0]=3 2062 B10R1.1 NNCc1ccc(nc1)O 271570a_203496583355_106726394036 [1,1,0,0,0,0|2,0,0]=4 2063 B10R1.1 O=CCc1ccc(cc1)O 271570a_203496583355_100011361690 [1,1,0,0,0,0|0,0,0]=2 2064 B10R1.1 OCCc1ccc(cc1)O 271570a_203496583355_100000766406 [1,1,0,0,0,0|0,0,2]=4 2065 B10R1.1 Oc1ccc(cc1)/C=C/Br 271570a_203496583355_200016255901 [1,1,0,0,0,0|1,0,1]=4 2066 B10R1.1 Oc1ccc(cc1)NCF 34a_100000185829_100015361967 [1,1,0,0,0,0|1,0,1]=4 2067 B10R1.1 [13CH3]NCc1ccc(cc1)Br 2230a_100000174875_200025704644 [1,1,0,0,0,0|0,0,1]=3 2068 B10R1.1 [13CH3]NCc1ccc(cc1)Br 34a_100000174875_200025704644 [1,1,0,0,0,0|0,0,1]=3 2069 B10R1.1 [13CH3]NCc1ccc(cc1)Cl 2230a_100000174871_200025704644 [1,1,0,0,0,0|0,0,1]=3 2070 B10R1.1 [13CH3]NCc1ccc(cc1)Cl 34a_100000174871_200025704644 [1,1,0,0,0,0|0,0,1]=3 2071 B10R1.1 [13CH3]NCc1ccc(cc1)F 2230a_100000174882_200025704644 [1,1,0,0,0,0|0,0,1]=3 2072 B10R1.1 [13CH3]NCc1ccc(cc1)F 34a_100000174882_200025704644 [1,1,0,0,0,0|0,0,1]=3 2073 B10R1.1 [13CH3]NCc1ccc(cc1)I 2230a_100016989417_200025704644 [1,1,0,0,0,0|0,0,1]=3 2074 B10R1.1 [13CH3]NCc1ccc(cc1)I 34a_100016989417_200025704644 [1,1,0,0,0,0|0,0,1]=3 2075 B10R1.1 [13CH3]NCc1ccc(cc1)O 34a_100000185549_200025704644 [1,1,0,0,0,0|0,0,1]=3 2076 B10R1.1 [13CH3]NCc1ccc(cn1)Br 34a_100015188789_200025704644 [1,1,0,0,0,0|1,0,1]=4 2077 B10R1.1 [13CH3]NCc1ccc(cn1)Cl 34a_100000697193_200025704644 [1,1,0,0,0,0|1,0,1]=4 2078 B10R1.1 [13CH3]NCc1ccc(cn1)F 34a_100020620131_200025704644 [1,1,0,0,0,0|1,0,1]=4 2079 B10R1.1 [13CH3]NCc1ccc(nc1)Br 2230a_100009817727_200025704644 [1,1,0,0,0,0|1,0,1]=4 2080 B10R1.1 [13CH3]NCc1ccc(nc1)Br 34a_100009817727_200025704644 [1,1,0,0,0,0|1,0,1]=4 2081 B10R1.1 [13CH3]NCc1ccc(nc1)Cl 2230a_100000735879_200025704644 [1,1,0,0,0,0|1,0,1]=4 2082 B10R1.1 [13CH3]NCc1ccc(nc1)Cl 34a_100000735879_200025704644 [1,1,0,0,0,0|1,0,1]=4 2083 B10R1.1 [13CH3]NCc1ccc(nc1)F 2230a_100000101913_200025704644 [1,1,0,0,0,0|1,0,1]=4 2084 B10R1.1 [13CH3]NCc1ccc(nc1)F 34a_100000101913_200025704644 [1,1,0,0,0,0|1,0,1]=4 2085 B10R1.1 [13CH3]NCc1ccc(nc1)O 2230a_100000757128_200025704644 [1,1,0,0,0,0|1,0,1]=4 2086 B10R1.1 [13CH3]OCc1ccc(cc1)Br 34a_100000695286_200025704644 [1,1,0,0,0,0|1,0,1]=4 2087 B10R1.1 [13CH3]OCc1ccc(cc1)Cl 34a_100000211118_200025704644 [1,1,0,0,0,0|1,0,1]=4 2088 B10R1.1 [13CH3]OCc1ccc(cc1)Cl 7a_100000211118_200025704644 [1,1,0,0,0,0|1,0,1]=4 2089 B10R1.1 [13CH3]OCc1ccc(cc1)F 34a_100000210977_200025704644 [1,1,0,0,0,0|1,0,1]=4 2090 B10R1.1 [13CH3]OCc1ccc(cc1)F 7a_100000210977_200025704644 [1,1,0,0,0,0|1,0,1]=4 2091 B10R1.1 [13CH3]OCc1ccc(cc1)I 34a_100000690907_200025704644 [1,1,0,0,0,0|1,0,1]=4 2092 B10R1.1 [13CH3]OCc1ccc(cc1)I 7a_100000690907_200025704644 [1,1,0,0,0,0|1,0,1]=4 2093 B10R1.1 [13CH3]OCc1ccc(cc1)N 34a_100011215238_200025704644 [1,1,0,0,0,0|1,0,1]=4 2094 B10R1.1 [13CH3]SCc1ccc(cc1)Br 62a_100000189115_200025704644 [1,1,0,0,0,0|1,0,1]=4 2095 B10R1.1 [13CH3]SCc1ccc(cc1)Br 62a_200025704644_100000189115 [1,1,0,0,0,0|1,0,1]=4 2096 B10R1.1 [13CH3]SCc1ccc(cc1)Cl 62a_100000187161_200025704644 [1,1,0,0,0,0|1,0,1]=4 2097 B10R1.1 [13CH3]SCc1ccc(cc1)Cl 62a_200025704644_100000187161 [1,1,0,0,0,0|1,0,1]=4 2098 B10R1.1 [13CH3]SCc1ccc(cc1)F 62a_100000198546_200025704644 [1,1,0,0,0,0|1,0,1]=4 2099 B10R1.1 [13CH3]SCc1ccc(cc1)F 62a_200025704644_100000187164 [1,1,0,0,0,0|1,0,1]=4 2100 B10R1.1 [13CH3]SCc1ccc(cc1)I 62a_100000189116_200025704644 [1,1,0,0,0,0|1,0,1]=4 2101 B10R1.1 [13CH3]SCc1ccc(cc1)I 62a_200025704644_100000189116 [1,1,0,0,0,0|1,0,1]=4 2102 B10R1.4 C=C=Cc1ccccc1Br 271570a_100015277604_100000695589 [1,1,0,0,0,0|1,0,1]=4 2103 B10R1.4 C=C=Cc1ccccc1C 271570a_100015277604_100000210755 [1,1,0,0,0,0|1,0,1]=4 2104 B10R1.4 C=C=Cc1ccccc1Cl 271570a_100015277604_100000764095 [1,1,0,0,0,0|1,0,1]=4 2105 B10R1.4 C=C=Cc1ccccc1F 271570a_100015277604_100011215700 [1,1,0,0,0,0|1,0,1]=4 2106 B10R1.4 C=C=Cc1ccccc1N 271570a_100015277604_100000210017 [1,1,0,0,0,0|1,0,1]=4 2107 B10R1.4 C=C=Cc1ccccc1O 271570a_100015277604_100000739446 [1,1,0,0,0,0|1,0,1]=4 2108 B10R1.4 C=CCc1ccccc1O 271570a_203496583355_100009828059 [1,1,0,0,0,0|1,0,0]=3 2109 B10R1.4 CC=Cc1ccccc1Br 271570a_100016259895_100000695589 [1,1,0,0,0,0|1,0,1]=4 2110 B10R1.4 CC=Cc1ccccc1C 271570a_100016259895_100000210755 [1,1,0,0,0,0|1,0,1]=4 2111 B10R1.4 CC=Cc1ccccc1Cl 271570a_100016259895_100000764095 [1,1,0,0,0,0|1,0,1]=4 2112 B10R1.4 CC=Cc1ccccc1F 271570a_100016259895_100011215700 [1,1,0,0,0,0|1,0,1]=4 2113 B10R1.4 CC=Cc1ccccc1N 271570a_100016259895_100000210017 [1,1,0,0,0,0|1,0,1]=4 2114 B10R1.4 CC=Cc1ccccc1O 271570a_100016259895_100000739446 [1,1,0,0,0,0|1,0,1]=4 2115 B10R1.4 CCNc1ccccc1Br 34a_100000210017_100000210202 [1,1,0,0,0,0|1,0,1]=4 2116 B10R1.4 CCNc1ccccc1C 34a_100015192222_100000210202 [1,1,0,0,0,0|1,0,1]=4 2117 B10R1.4 CCNc1ccccc1Cl 34a_100000185783_100000210202 [1,1,0,0,0,0|1,0,1]=4 2118 B10R1.4 CCNc1ccccc1F 34a_100000210422_100000210202 [1,1,0,0,0,0|1,0,1]=4 2119 B10R1.4 CCNc1ccccc1I 34a_100000210053_100000210202 [1,1,0,0,0,0|1,0,1]=4 2120 B10R1.4 CCNc1ccccc1O 271570a_203496583355_114873767003 [1,1,0,0,0,0|1,0,1]=4 2121 B10R1.4 CCNc1ccccc1O 34a_100000185747_100000210202 [1,1,0,0,0,0|1,0,1]=4 2122 B10R1.4 CNCc1ccccc1Br 207a_100102657272_100000211189 [1,1,0,0,0,0|0,0,1]=3 2123 B10R1.4 CNCc1ccccc1Br 2230a_100000689332_200000210301 [1,1,0,0,0,0|0,0,1]=3 2124 B10R1.4 CNCc1ccccc1Br 2230a_106832991635_100000184730 [1,1,0,0,0,0|0,0,1]=3 2125 B10R1.4 CNCc1ccccc1Br 26a_100102657272_100000181306 [1,1,0,0,0,0|0,0,1]=3 2126 B10R1.4 CNCc1ccccc1Br 270004a_106832991635_100000211189 [1,1,0,0,0,0|0,0,1]=3 2127 B10R1.4 CNCc1ccccc1Br 34a_100000689332_200000210301 [1,1,0,0,0,0|0,0,1]=3 2128 B10R1.4 CNCc1ccccc1Br 34a_100102657272_100000184730 [1,1,0,0,0,0|0,0,1]=3 2129 B10R1.4 CNCc1ccccc1Br 7a_106832991635_100000184730 [1,1,0,0,0,0|0,0,1]=3 2130 B10R1.4 CNCc1ccccc1C 207a_100102657272_100000211143 [1,1,0,0,0,0|0,0,1]=3 2131 B10R1.4 CNCc1ccccc1C 2230a_106832991635_100000211839 [1,1,0,0,0,0|0,0,1]=3 2132 B10R1.4 CNCc1ccccc1C 270004a_106832991635_100000211143 [1,1,0,0,0,0|0,0,1]=3 2133 B10R1.4 CNCc1ccccc1C 34a_100000174972_200000210301 [1,1,0,0,0,0|0,0,1]=3 2134 B10R1.4 CNCc1ccccc1C 34a_100102657272_100000211839 [1,1,0,0,0,0|0,0,1]=3 2135 B10R1.4 CNCc1ccccc1C 7a_106832991635_100000211839 [1,1,0,0,0,0|0,0,1]=3 2136 B10R1.4 CNCc1ccccc1Cl 207a_100102657272_100000210073 [1,1,0,0,0,0|0,0,1]=3 2137 B10R1.4 CNCc1ccccc1Cl 2230a_100000174879_200000210301 [1,1,0,0,0,0|0,0,1]=3 2138 B10R1.4 CNCc1ccccc1Cl 2230a_106832991635_100000187162 [1,1,0,0,0,0|0,0,1]=3 2139 B10R1.4 CNCc1ccccc1Cl 26a_100102657272_100000210172 [1,1,0,0,0,0|0,0,1]=3 2140 B10R1.4 CNCc1ccccc1Cl 270004a_106832991635_100000210073 [1,1,0,0,0,0|0,0,1]=3 2141 B10R1.4 CNCc1ccccc1Cl 34a_100000174879_200000210301 [1,1,0,0,0,0|0,0,1]=3 2142 B10R1.4 CNCc1ccccc1Cl 34a_100102657272_100000187162 [1,1,0,0,0,0|0,0,1]=3 2143 B10R1.4 CNCc1ccccc1Cl 7a_106832991635_100000187162 [1,1,0,0,0,0|0,0,1]=3 2144 B10R1.4 CNCc1ccccc1F 207a_100102657272_100000210811 [1,1,0,0,0,0|0,0,1]=3 2145 B10R1.4 CNCc1ccccc1F 2230a_106832991635_100000211605 [1,1,0,0,0,0|0,0,1]=3 2146 B10R1.4 CNCc1ccccc1F 270004a_106832991635_100000210811 [1,1,0,0,0,0|0,0,1]=3 2147 B10R1.4 CNCc1ccccc1F 34a_100000174869_200000210301 [1,1,0,0,0,0|0,0,1]=3 2148 B10R1.4 CNCc1ccccc1F 34a_100102657272_100000211605 [1,1,0,0,0,0|0,0,1]=3 2149 B10R1.4 CNCc1ccccc1F 7a_106832991635_100000211605 [1,1,0,0,0,0|0,0,1]=3 2150 B10R1.4 CNCc1ccccc1I 207a_100102657272_100000010305 [1,1,0,0,0,0|0,0,1]=3 2151 B10R1.4 CNCc1ccccc1I 2230a_106832991635_100011215278 [1,1,0,0,0,0|0,0,1]=3 2152 B10R1.4 CNCc1ccccc1I 270004a_106832991635_100000010305 [1,1,0,0,0,0|0,0,1]=3 2153 B10R1.4 CNCc1ccccc1I 34a_100102657272_100011215278 [1,1,0,0,0,0|0,0,1]=3 2154 B10R1.4 CNCc1ccccc1I 7a_106832991635_100011215278 [1,1,0,0,0,0|0,0,1]=3 2155 B10R1.4 CNCc1ccccc1O 271570a_203496583355_100000184654 [1,1,0,0,0,0|0,0,1]=3 2156 B10R1.4 CNCc1ccccc1O 34a_100000185550_200000210301 [1,1,0,0,0,0|0,0,1]=3 2157 B10R1.4 CNCc1cccnc1Br 2230a_100009818023_200000210301 [1,1,0,0,0,0|1,0,1]=4 2158 B10R1.4 CNCc1cccnc1Br 2230a_106832991635_100010140945 [1,1,0,0,0,0|1,0,1]=4 2159 B10R1.4 CNCc1cccnc1Br 34a_100009818023_200000210301 [1,1,0,0,0,0|1,0,1]=4 2160 B10R1.4 CNCc1cccnc1Br 34a_100102657272_100010140945 [1,1,0,0,0,0|1,0,1]=4 2161 B10R1.4 CNCc1cccnc1Br 7a_106832991635_100010140945 [1,1,0,0,0,0|1,0,1]=4 2162 B10R1.4 CNCc1cccnc1C 207a_100102657272_100000751968 [1,1,0,0,0,0|1,0,1]=4 2163 B10R1.4 CNCc1cccnc1C 2230a_106832991635_100000732876 [1,1,0,0,0,0|1,0,1]=4 2164 B10R1.4 CNCc1cccnc1C 270004a_106832991635_100000751968 [1,1,0,0,0,0|1,0,1]=4 2165 B10R1.4 CNCc1cccnc1C 34a_100102657272_100000732876 [1,1,0,0,0,0|1,0,1]=4 2166 B10R1.4 CNCc1cccnc1C 7a_106832991635_100000732876 [1,1,0,0,0,0|1,0,1]=4 2167 B10R1.4 CNCc1cccnc1Cl 2230a_100015189234_200000210301 [1,1,0,0,0,0|1,0,1]=4 2168 B10R1.4 CNCc1cccnc1Cl 2230a_106832991635_100000045678 [1,1,0,0,0,0|1,0,1]=4 2169 B10R1.4 CNCc1cccnc1Cl 34a_100015189234_200000210301 [1,1,0,0,0,0|1,0,1]=4 2170 B10R1.4 CNCc1cccnc1Cl 34a_100102657272_100000045678 [1,1,0,0,0,0|1,0,1]=4 2171 B10R1.4 CNCc1cccnc1Cl 7a_106832991635_100000045678 [1,1,0,0,0,0|1,0,1]=4 2172 B10R1.4 CNCc1cccnc1F 2230a_106832991635_100000099810 [1,1,0,0,0,0|1,0,1]=4 2173 B10R1.4 CNCc1cccnc1F 34a_100000724633_200000210301 [1,1,0,0,0,0|1,0,1]=4 2174 B10R1.4 CNCc1cccnc1F 34a_100102657272_100000099810 [1,1,0,0,0,0|1,0,1]=4 2175 B10R1.4 CNCc1cccnc1F 7a_106832991635_100000099810 [1,1,0,0,0,0|1,0,1]=4 2176 B10R1.4 CNCc1cccnc1O 207a_100102657272_100011998315 [1,1,0,0,0,0|1,0,1]=4 2177 B10R1.4 CNCc1cccnc1O 270004a_106832991635_100011998315 [1,1,0,0,0,0|1,0,1]=4 2178 B10R1.4 CNCc1cccnc1O 271570a_203496583355_103496529121 [1,1,0,0,0,0|1,0,1]=4 2179 B10R1.4 CNCc1ccncc1Br 270004a_106832991635_100000755692 [1,1,0,0,0,0|1,0,1]=4 2180 B10R1.4 CNCc1ccncc1C 2230a_106832991635_100020672808 [1,1,0,0,0,0|1,0,1]=4 2181 B10R1.4 CNCc1ccncc1C 34a_100102657272_100020672809 [1,1,0,0,0,0|1,0,1]=4 2182 B10R1.4 CNCc1ccncc1C 7a_106832991635_100020672808 [1,1,0,0,0,0|1,0,1]=4 2183 B10R1.4 CNCc1ccncc1Cl 207a_100102657272_100011934409 [1,1,0,0,0,0|1,0,1]=4 2184 B10R1.4 CNCc1ccncc1Cl 2230a_106832991635_100000763264 [1,1,0,0,0,0|1,0,1]=4 2185 B10R1.4 CNCc1ccncc1Cl 270004a_106832991635_100011934409 [1,1,0,0,0,0|1,0,1]=4 2186 B10R1.4 CNCc1ccncc1Cl 7a_106832991635_100000763264 [1,1,0,0,0,0|1,0,1]=4 2187 B10R1.4 CNCc1ccncc1F 34a_100011935246_200000210301 [1,1,0,0,0,0|1,0,1]=4 2188 B10R1.4 CNCc1cnccc1Br 270004a_106832991635_100009816821 [1,1,0,0,0,0|1,0,1]=4 2189 B10R1.4 CNCc1cnccc1C 207a_100102657272_100000685662 [1,1,0,0,0,0|1,0,1]=4 2190 B10R1.4 CNCc1cnccc1C 2230a_106832991635_100000690890 [1,1,0,0,0,0|1,0,1]=4 2191 B10R1.4 CNCc1cnccc1C 270004a_106832991635_100000685662 [1,1,0,0,0,0|1,0,1]=4 2192 B10R1.4 CNCc1cnccc1C 34a_100102657272_100000690890 [1,1,0,0,0,0|1,0,1]=4 2193 B10R1.4 CNCc1cnccc1C 7a_106832991635_100000690890 [1,1,0,0,0,0|1,0,1]=4 2194 B10R1.4 CNCc1cnccc1Cl 270004a_106832991635_100000050567 [1,1,0,0,0,0|1,0,1]=4 2195 B10R1.4 CNCc1ncccc1Br 207a_100102657272_100011934733 [1,1,0,0,0,0|1,0,1]=4 2196 B10R1.4 CNCc1ncccc1Br 2230a_106832991635_100025702911 [1,1,0,0,0,0|1,0,1]=4 2197 B10R1.4 CNCc1ncccc1Br 270004a_106832991635_100011934733 [1,1,0,0,0,0|1,0,1]=4 2198 B10R1.4 CNCc1ncccc1Br 34a_100102657272_100025702911 [1,1,0,0,0,0|1,0,1]=4 2199 B10R1.4 CNCc1ncccc1Br 7a_106832991635_100025702911 [1,1,0,0,0,0|1,0,1]=4 2200 B10R1.4 CNCc1ncccc1C 207a_100102657272_100000698913 [1,1,0,0,0,0|1,0,1]=4 2201 B10R1.4 CNCc1ncccc1C 2230a_106832991635_100000696600 [1,1,0,0,0,0|1,0,1]=4 2202 B10R1.4 CNCc1ncccc1C 270004a_106832991635_100000698913 [1,1,0,0,0,0|1,0,1]=4 2203 B10R1.4 CNCc1ncccc1C 34a_100011223789_200000210301 [1,1,0,0,0,0|1,0,1]=4 2204 B10R1.4 CNCc1ncccc1C 34a_100102657272_100000696600 [1,1,0,0,0,0|1,0,1]=4 2205 B10R1.4 CNCc1ncccc1C 7a_106832991635_100000696600 [1,1,0,0,0,0|1,0,1]=4 2206 B10R1.4 CNCc1ncccc1Cl 207a_100102657272_100012001307 [1,1,0,0,0,0|1,0,1]=4 2207 B10R1.4 CNCc1ncccc1Cl 2230a_100015189233_200000210301 [1,1,0,0,0,0|1,0,1]=4 2208 B10R1.4 CNCc1ncccc1Cl 2230a_106832991635_100000099807 [1,1,0,0,0,0|1,0,1]=4 2209 B10R1.4 CNCc1ncccc1Cl 270004a_106832991635_100012001307 [1,1,0,0,0,0|1,0,1]=4 2210 B10R1.4 CNCc1ncccc1Cl 7a_106832991635_100000099807 [1,1,0,0,0,0|1,0,1]=4 2211 B10R1.4 CNCc1ncccc1F 207a_100102657272_100011934734 [1,1,0,0,0,0|1,0,1]=4 2212 B10R1.4 CNCc1ncccc1F 2230a_106832991635_100000104219 [1,1,0,0,0,0|1,0,1]=4 2213 B10R1.4 CNCc1ncccc1F 270004a_106832991635_100011934734 [1,1,0,0,0,0|1,0,1]=4 2214 B10R1.4 CNCc1ncccc1F 34a_100000690088_200000210301 [1,1,0,0,0,0|1,0,1]=4 2215 B10R1.4 CNCc1ncccc1F 34a_100102657272_100000104219 [1,1,0,0,0,0|1,0,1]=4 2216 B10R1.4 CNCc1ncccc1F 7a_106832991635_100000104219 [1,1,0,0,0,0|1,0,1]=4 2217 B10R1.4 CNCc1ncccc1O 34a_100102657272_200020655725 [1,1,0,0,0,0|1,0,1]=4 2218 B10R1.4 CNCc1ncccc1O 7a_106832991635_200020655725 [1,1,0,0,0,0|1,0,1]=4 2219 B10R1.4 COCc1ccccc1Br 34a_100000756307_200000210301 [1,1,0,0,0,0|1,0,1]=4 2220 B10R1.4 COCc1ccccc1Br 34a_100138415774_100000184730 [1,1,0,0,0,0|1,0,1]=4 2221 B10R1.4 COCc1ccccc1Br 7a_100000756307_200000210301 [1,1,0,0,0,0|1,0,1]=4 2222 B10R1.4 COCc1ccccc1C 34a_100000698903_200000210301 [1,1,0,0,0,0|1,0,1]=4 2223 B10R1.4 COCc1ccccc1C 34a_100138415774_100000211839 [1,1,0,0,0,0|1,0,1]=4 2224 B10R1.4 COCc1ccccc1C 7a_100000698903_200000210301 [1,1,0,0,0,0|1,0,1]=4 2225 B10R1.4 COCc1ccccc1Cl 34a_100000210847_200000210301 [1,1,0,0,0,0|1,0,1]=4 2226 B10R1.4 COCc1ccccc1Cl 34a_100138415774_100000187162 [1,1,0,0,0,0|1,0,1]=4 2227 B10R1.4 COCc1ccccc1Cl 7a_100000210847_200000210301 [1,1,0,0,0,0|1,0,1]=4 2228 B10R1.4 COCc1ccccc1F 34a_100000211962_200000210301 [1,1,0,0,0,0|1,0,1]=4 2229 B10R1.4 COCc1ccccc1F 34a_100138415774_100000211605 [1,1,0,0,0,0|1,0,1]=4 2230 B10R1.4 COCc1ccccc1F 7a_100000211962_200000210301 [1,1,0,0,0,0|1,0,1]=4 2231 B10R1.4 COCc1ccccc1I 34a_100000187465_200000210301 [1,1,0,0,0,0|1,0,1]=4 2232 B10R1.4 COCc1ccccc1I 34a_100138415774_100011215278 [1,1,0,0,0,0|1,0,1]=4 2233 B10R1.4 COCc1ccccc1I 7a_100000187465_200000210301 [1,1,0,0,0,0|1,0,1]=4 2234 B10R1.4 COCc1ccccc1N 34a_100000212039_200000210301 [1,1,0,0,0,0|1,0,1]=4 2235 B10R1.4 COCc1ccccc1O 271570a_203496583355_100011493684 [1,1,0,0,0,0|1,0,1]=4 2236 B10R1.4 CSCc1ccccc1Br 62a_100000184730_200000210301 [1,1,0,0,0,0|1,0,1]=4 2237 B10R1.4 CSCc1ccccc1Br 62a_200000210301_100000184730 [1,1,0,0,0,0|1,0,1]=4 2238 B10R1.4 CSCc1ccccc1C 62a_100000211839_200000210301 [1,1,0,0,0,0|1,0,1]=4 2239 B10R1.4 CSCc1ccccc1C 62a_200000210301_100000211839 [1,1,0,0,0,0|1,0,1]=4 2240 B10R1.4 CSCc1ccccc1Cl 62a_100000187162_200000210301 [1,1,0,0,0,0|1,0,1]=4 2241 B10R1.4 CSCc1ccccc1Cl 62a_200000210301_100000187162 [1,1,0,0,0,0|1,0,1]=4 2242 B10R1.4 CSCc1ccccc1F 62a_100000211605_200000210301 [1,1,0,0,0,0|1,0,1]=4 2243 B10R1.4 CSCc1ccccc1F 62a_200000210301_100000211605 [1,1,0,0,0,0|1,0,1]=4 2244 B10R1.4 CSCc1ccccc1I 62a_100011216222_200000210301 [1,1,0,0,0,0|1,0,1]=4 2245 B10R1.4 CSCc1ccccc1I 62a_200000210301_100011216222 [1,1,0,0,0,0|1,0,1]=4 2246 B10R1.4 CSCc1ccccc1O 271570a_203496583355_100000148299 [1,1,0,0,0,0|1,0,1]=4 2247 B10R1.4 Cc1ccccc1CN[13CH3] 34a_100000174972_200025704644 [1,1,0,0,0,0|0,0,1]=3 2248 B10R1.4 Cc1ccccc1CO[13CH3] 34a_100000698903_200025704644 [1,1,0,0,0,0|1,0,1]=4 2249 B10R1.4 Cc1ccccc1CO[13CH3] 7a_100000698903_200025704644 [1,1,0,0,0,0|1,0,1]=4 2250 B10R1.4 Cc1ccccc1CS[13CH3] 62a_100000211839_200025704644 [1,1,0,0,0,0|1,0,1]=4 2251 B10R1.4 Cc1ccccc1CS[13CH3] 62a_200025704644_100000211839 [1,1,0,0,0,0|1,0,1]=4 2252 B10R1.4 Cc1ccccc1NCF 34a_100015192222_100015361967 [1,1,0,0,0,0|1,0,1]=4 2253 B10R1.4 Cc1cccnc1CN[13CH3] 34a_100011223789_200025704644 [1,1,0,0,0,0|1,0,1]=4 2254 B10R1.4 FCNc1ccccc1Br 34a_100000210017_100015361967 [1,1,0,0,0,0|1,0,1]=4 2255 B10R1.4 FCNc1ccccc1Cl 34a_100000185783_100015361967 [1,1,0,0,0,0|1,0,1]=4 2256 B10R1.4 FCNc1ccccc1F 34a_100000210422_100015361967 [1,1,0,0,0,0|1,0,1]=4 2257 B10R1.4 FCNc1ccccc1I 34a_100000210053_100015361967 [1,1,0,0,0,0|1,0,1]=4 2258 B10R1.4 N#CCc1ccccc1O 271570a_203496583355_100000033512 [1,1,0,0,0,0|1,0,1]=4 2259 B10R1.4 NCCc1ccccc1O 271570a_203496583355_100000747383 [1,1,0,0,0,0|1,0,1]=4 2260 B10R1.4 NNCc1ccccc1O 271570a_203496583355_200016993956 [1,1,0,0,0,0|1,0,0]=3 2261 B10R1.4 OCCc1ccccc1O 271570a_203496583355_100000731337 [1,1,0,0,0,0|0,0,2]=4 2262 B10R1.4 Oc1ccccc1NCF 34a_100000185747_100015361967 [1,1,0,0,0,0|1,0,1]=4 2263 B10R1.4 [13CH3]NCc1ccccc1Br 2230a_100000689332_200025704644 [1,1,0,0,0,0|0,0,1]=3 2264 B10R1.4 [13CH3]NCc1ccccc1Br 34a_100000689332_200025704644 [1,1,0,0,0,0|0,0,1]=3 2265 B10R1.4 [13CH3]NCc1ccccc1Cl 2230a_100000174879_200025704644 [1,1,0,0,0,0|0,0,1]=3 2266 B10R1.4 [13CH3]NCc1ccccc1Cl 34a_100000174879_200025704644 [1,1,0,0,0,0|0,0,1]=3 2267 B10R1.4 [13CH3]NCc1ccccc1F 34a_100000174869_200025704644 [1,1,0,0,0,0|0,0,1]=3 2268 B10R1.4 [13CH3]NCc1ccccc1O 34a_100000185550_200025704644 [1,1,0,0,0,0|0,0,1]=3 2269 B10R1.4 [13CH3]NCc1cccnc1Br 2230a_100009818023_200025704644 [1,1,0,0,0,0|1,0,1]=4 2270 B10R1.4 [13CH3]NCc1cccnc1Br 34a_100009818023_200025704644 [1,1,0,0,0,0|1,0,1]=4 2271 B10R1.4 [13CH3]NCc1cccnc1Cl 2230a_100015189234_200025704644 [1,1,0,0,0,0|1,0,1]=4 2272 B10R1.4 [13CH3]NCc1cccnc1Cl 34a_100015189234_200025704644 [1,1,0,0,0,0|1,0,1]=4 2273 B10R1.4 [13CH3]NCc1cccnc1F 34a_100000724633_200025704644 [1,1,0,0,0,0|1,0,1]=4 2274 B10R1.4 [13CH3]NCc1ccncc1F 34a_100011935246_200025704644 [1,1,0,0,0,0|1,0,1]=4 2275 B10R1.4 [13CH3]NCc1ncccc1Cl 2230a_100015189233_200025704644 [1,1,0,0,0,0|1,0,1]=4 2276 B10R1.4 [13CH3]NCc1ncccc1F 34a_100000690088_200025704644 [1,1,0,0,0,0|1,0,1]=4 2277 B10R1.4 [13CH3]OCc1ccccc1Br 34a_100000756307_200025704644 [1,1,0,0,0,0|1,0,1]=4 2278 B10R1.4 [13CH3]OCc1ccccc1Br 7a_100000756307_200025704644 [1,1,0,0,0,0|1,0,1]=4 2279 B10R1.4 [13CH3]OCc1ccccc1Cl 34a_100000210847_200025704644 [1,1,0,0,0,0|1,0,1]=4 2280 B10R1.4 [13CH3]OCc1ccccc1Cl 7a_100000210847_200025704644 [1,1,0,0,0,0|1,0,1]=4 2281 B10R1.4 [13CH3]OCc1ccccc1F 34a_100000211962_200025704644 [1,1,0,0,0,0|1,0,1]=4 2282 B10R1.4 [13CH3]OCc1ccccc1F 7a_100000211962_200025704644 [1,1,0,0,0,0|1,0,1]=4 2283 B10R1.4 [13CH3]OCc1ccccc1I 34a_100000187465_200025704644 [1,1,0,0,0,0|1,0,1]=4 2284 B10R1.4 [13CH3]OCc1ccccc1I 7a_100000187465_200025704644 [1,1,0,0,0,0|1,0,1]=4 2285 B10R1.4 [13CH3]OCc1ccccc1N 34a_100000212039_200025704644 [1,1,0,0,0,0|1,0,1]=4 2286 B10R1.4 [13CH3]SCc1ccccc1Br 62a_100000184730_200025704644 [1,1,0,0,0,0|1,0,1]=4 2287 B10R1.4 [13CH3]SCc1ccccc1Br 62a_200025704644_100000184730 [1,1,0,0,0,0|1,0,1]=4 2288 B10R1.4 [13CH3]SCc1ccccc1Cl 62a_100000187162_200025704644 [1,1,0,0,0,0|1,0,1]=4 2289 B10R1.4 [13CH3]SCc1ccccc1Cl 62a_200025704644_100000187162 [1,1,0,0,0,0|1,0,1]=4 2290 B10R1.4 [13CH3]SCc1ccccc1F 62a_100000211605_200025704644 [1,1,0,0,0,0|1,0,1]=4 2291 B10R1.4 [13CH3]SCc1ccccc1F 62a_200025704644_100000211605 [1,1,0,0,0,0|1,0,1]=4 2292 B10R1.4 [13CH3]SCc1ccccc1I 62a_100011216222_200025704644 [1,1,0,0,0,0|1,0,1]=4 2293 B10R1.4 [13CH3]SCc1ccccc1I 62a_200025704644_100011216222 [1,1,0,0,0,0|1,0,1]=4 2294 B10R1.10 C=C=Cc1cccc(c1)Br 271570a_100015277604_100000691529 [1,1,0,0,0,0|1,0,1]=4 2295 B10R1.10 C=C=Cc1cccc(c1)C 271570a_100015277604_100011215228 [1,1,0,0,0,0|1,0,1]=4 2296 B10R1.10 C=C=Cc1cccc(c1)Cl 271570a_100015277604_100000699651 [1,1,0,0,0,0|1,0,1]=4 2297 B10R1.10 C=C=Cc1cccc(c1)F 271570a_100015277604_100000685547 [1,1,0,0,0,0|1,0,1]=4 2298 B10R1.10 C=C=Cc1cccc(c1)N 271570a_100015277604_100000210019 [1,1,0,0,0,0|1,0,1]=4 2299 B10R1.10 C=C=Cc1cccc(c1)O 271570a_100015277604_100000211634 [1,1,0,0,0,0|1,0,1]=4 2300 B10R1.10 C=C=Cc1cccc(c1)[S] 271570a_100015277604_114929384022 [1,1,0,0,0,0|1,0,1]=4 2301 B10R1.10 C=CCc1cccc(c1)O 271570a_203496583355_100009816576 [1,1,0,0,0,0|1,0,0]=3 2302 B10R1.10 CC=Cc1cccc(c1)Br 271570a_100016259895_100000691529 [1,1,0,0,0,0|1,0,1]=4 2303 B10R1.10 CC=Cc1cccc(c1)C 271570a_100016259895_100011215228 [1,1,0,0,0,0|1,0,1]=4 2304 B10R1.10 CC=Cc1cccc(c1)Cl 271570a_100016259895_100000699651 [1,1,0,0,0,0|1,0,1]=4 2305 B10R1.10 CC=Cc1cccc(c1)F 271570a_100016259895_100000685547 [1,1,0,0,0,0|1,0,1]=4 2306 B10R1.10 CC=Cc1cccc(c1)N 271570a_100016259895_100000210019 [1,1,0,0,0,0|1,0,1]=4 2307 B10R1.10 CC=Cc1cccc(c1)O 271570a_100016259895_100000211634 [1,1,0,0,0,0|1,0,1]=4 2308 B10R1.10 CC=Cc1cccc(c1)[S] 271570a_100016259895_114929384022 [1,1,0,0,0,0|1,0,1]=4 2309 B10R1.10 CCCc1cccc(c1)O 271570a_203496583355_100000694964 [1,1,0,0,0,0|1,0,1]=4 2310 B10R1.10 CCNc1cccc(c1)Br 34a_100000210019_100000210202 [1,1,0,0,0,0|1,0,1]=4 2311 B10R1.10 CCNc1cccc(c1)C 2230a_100000188690_100000210202 [1,1,0,0,0,0|1,0,1]=4 2312 B10R1.10 CCNc1cccc(c1)C 34a_100000188690_100000210202 [1,1,0,0,0,0|1,0,1]=4 2313 B10R1.10 CCNc1cccc(c1)Cl 34a_100000185859_100000210202 [1,1,0,0,0,0|1,0,1]=4 2314 B10R1.10 CCNc1cccc(c1)F 34a_100000210047_100000210202 [1,1,0,0,0,0|1,0,1]=4 2315 B10R1.10 CCNc1cccc(c1)I 34a_100000211102_100000210202 [1,1,0,0,0,0|1,0,1]=4 2316 B10R1.10 CCNc1cccc(c1)O 271570a_203496583355_100000738899 [1,1,0,0,0,0|1,0,1]=4 2317 B10R1.10 CCNc1cccc(c1)O 34a_100000210217_100000210202 [1,1,0,0,0,0|1,0,1]=4 2318 B10R1.10 CNCc1cc(ccn1)Br 2230a_106832991635_100010173614 [1,1,0,0,0,0|1,0,1]=4 2319 B10R1.10 CNCc1cc(ccn1)Br 270004a_106832991635_100009818557 [1,1,0,0,0,0|1,0,1]=4 2320 B10R1.10 CNCc1cc(ccn1)Br 34a_100102657272_100010173614 [1,1,0,0,0,0|1,0,1]=4 2321 B10R1.10 CNCc1cc(ccn1)Br 7a_106832991635_100010173614 [1,1,0,0,0,0|1,0,1]=4 2322 B10R1.10 CNCc1cc(ccn1)C 207a_100102657272_100011361488 [1,1,0,0,0,0|1,0,1]=4 2323 B10R1.10 CNCc1cc(ccn1)C 2230a_106832991635_100000718516 [1,1,0,0,0,0|1,0,1]=4 2324 B10R1.10 CNCc1cc(ccn1)C 270004a_106832991635_100011361488 [1,1,0,0,0,0|1,0,1]=4 2325 B10R1.10 CNCc1cc(ccn1)C 34a_100102657272_100000718516 [1,1,0,0,0,0|1,0,1]=4 2326 B10R1.10 CNCc1cc(ccn1)C 7a_106832991635_100000718516 [1,1,0,0,0,0|1,0,1]=4 2327 B10R1.10 CNCc1cc(ccn1)Cl 2230a_106832991635_100016988179 [1,1,0,0,0,0|1,0,1]=4 2328 B10R1.10 CNCc1cc(ccn1)Cl 270004a_106832991635_100011998288 [1,1,0,0,0,0|1,0,1]=4 2329 B10R1.10 CNCc1cc(ccn1)Cl 34a_100102657272_100016988179 [1,1,0,0,0,0|1,0,1]=4 2330 B10R1.10 CNCc1cc(ccn1)Cl 7a_106832991635_100016988179 [1,1,0,0,0,0|1,0,1]=4 2331 B10R1.10 CNCc1cc(ccn1)O 271570a_203496583355_100102954512 [1,1,0,0,0,0|1,0,1]=4 2332 B10R1.10 CNCc1cccc(=O)[nH]1 207a_100102657272_100011935257 [1,1,0,0,0,0|1,0,1]=4 2333 B10R1.10 CNCc1cccc(=O)[nH]1 2230a_100000696482_200000210301 [1,1,0,0,0,0|1,0,1]=4 2334 B10R1.10 CNCc1cccc(c1)Br 207a_100102657272_100000210085 [1,1,0,0,0,0|0,0,1]=3 2335 B10R1.10 CNCc1cccc(c1)Br 2230a_100000174977_200000210301 [1,1,0,0,0,0|0,0,1]=3 2336 B10R1.10 CNCc1cccc(c1)Br 2230a_106832991635_100000698116 [1,1,0,0,0,0|0,0,1]=3 2337 B10R1.10 CNCc1cccc(c1)Br 26a_100102657272_100000210342 [1,1,0,0,0,0|0,0,1]=3 2338 B10R1.10 CNCc1cccc(c1)Br 270004a_106832991635_100000210085 [1,1,0,0,0,0|0,0,1]=3 2339 B10R1.10 CNCc1cccc(c1)Br 34a_100000174977_200000210301 [1,1,0,0,0,0|0,0,1]=3 2340 B10R1.10 CNCc1cccc(c1)Br 34a_100102657272_100000698116 [1,1,0,0,0,0|0,0,1]=3 2341 B10R1.10 CNCc1cccc(c1)Br 7a_106832991635_100000211773 [1,1,0,0,0,0|0,0,1]=3 2342 B10R1.10 CNCc1cccc(c1)C 207a_100102657272_100000211157 [1,1,0,0,0,0|0,0,1]=3 2343 B10R1.10 CNCc1cccc(c1)C 2230a_100000185548_200000210301 [1,1,0,0,0,0|0,0,1]=3 2344 B10R1.10 CNCc1cccc(c1)C 2230a_106832991635_100000211840 [1,1,0,0,0,0|0,0,1]=3 2345 B10R1.10 CNCc1cccc(c1)C 270004a_106832991635_100000211157 [1,1,0,0,0,0|0,0,1]=3 2346 B10R1.10 CNCc1cccc(c1)C 34a_100000185548_200000210301 [1,1,0,0,0,0|0,0,1]=3 2347 B10R1.10 CNCc1cccc(c1)C 34a_100102657272_100000211840 [1,1,0,0,0,0|0,0,1]=3 2348 B10R1.10 CNCc1cccc(c1)C 7a_106832991635_100000211840 [1,1,0,0,0,0|0,0,1]=3 2349 B10R1.10 CNCc1cccc(c1)Cl 207a_100102657272_100000210801 [1,1,0,0,0,0|0,0,1]=3 2350 B10R1.10 CNCc1cccc(c1)Cl 2230a_100000174878_200000210301 [1,1,0,0,0,0|0,0,1]=3 2351 B10R1.10 CNCc1cccc(c1)Cl 2230a_106832991635_100000181238 [1,1,0,0,0,0|0,0,1]=3 2352 B10R1.10 CNCc1cccc(c1)Cl 270004a_106832991635_100000210801 [1,1,0,0,0,0|0,0,1]=3 2353 B10R1.10 CNCc1cccc(c1)Cl 34a_100000174878_200000210301 [1,1,0,0,0,0|0,0,1]=3 2354 B10R1.10 CNCc1cccc(c1)Cl 34a_100102657272_100000187163 [1,1,0,0,0,0|0,0,1]=3 2355 B10R1.10 CNCc1cccc(c1)Cl 7a_106832991635_100000187163 [1,1,0,0,0,0|0,0,1]=3 2356 B10R1.10 CNCc1cccc(c1)F 207a_100102657272_100000210812 [1,1,0,0,0,0|0,0,1]=3 2357 B10R1.10 CNCc1cccc(c1)F 2230a_100000174948_200000210301 [1,1,0,0,0,0|0,0,1]=3 2358 B10R1.10 CNCc1cccc(c1)F 2230a_106832991635_100000230114 [1,1,0,0,0,0|0,0,1]=3 2359 B10R1.10 CNCc1cccc(c1)F 270004a_106832991635_100000210812 [1,1,0,0,0,0|0,0,1]=3 2360 B10R1.10 CNCc1cccc(c1)F 34a_100000174948_200000210301 [1,1,0,0,0,0|0,0,1]=3 2361 B10R1.10 CNCc1cccc(c1)F 34a_100102657272_100000187166 [1,1,0,0,0,0|0,0,1]=3 2362 B10R1.10 CNCc1cccc(c1)F 7a_106832991635_100000230114 [1,1,0,0,0,0|0,0,1]=3 2363 B10R1.10 CNCc1cccc(c1)I 207a_100102657272_100000014684 [1,1,0,0,0,0|0,0,1]=3 2364 B10R1.10 CNCc1cccc(c1)I 2230a_100000106179_200000210301 [1,1,0,0,0,0|0,0,1]=3 2365 B10R1.10 CNCc1cccc(c1)I 2230a_106832991635_100011218688 [1,1,0,0,0,0|0,0,1]=3 2366 B10R1.10 CNCc1cccc(c1)I 270004a_106832991635_100000014684 [1,1,0,0,0,0|0,0,1]=3 2367 B10R1.10 CNCc1cccc(c1)I 34a_100000106179_200000210301 [1,1,0,0,0,0|0,0,1]=3 2368 B10R1.10 CNCc1cccc(c1)I 34a_100102657272_100011218688 [1,1,0,0,0,0|0,0,1]=3 2369 B10R1.10 CNCc1cccc(c1)I 7a_106832991635_100011218688 [1,1,0,0,0,0|0,0,1]=3 2370 B10R1.10 CNCc1cccc(c1)O 207a_100102657272_100000188321 [1,1,0,0,0,0|0,0,1]=3 2371 B10R1.10 CNCc1cccc(c1)O 2230a_100000743036_200000210301 [1,1,0,0,0,0|0,0,1]=3 2372 B10R1.10 CNCc1cccc(c1)O 2230a_106832991635_100011660834 [1,1,0,0,0,0|0,0,1]=3 2373 B10R1.10 CNCc1cccc(c1)O 270004a_106832991635_100000188321 [1,1,0,0,0,0|0,0,1]=3 2374 B10R1.10 CNCc1cccc(c1)O 271570a_203496583355_100000187585 [1,1,0,0,0,0|0,0,1]=3 2375 B10R1.10 CNCc1cccc(c1)O 34a_100000743036_200000210301 [1,1,0,0,0,0|0,0,1]=3 2376 B10R1.10 CNCc1cccc(c1)O 34a_100102657272_100011660834 [1,1,0,0,0,0|0,0,1]=3 2377 B10R1.10 CNCc1cccc(c1)O 7a_106832991635_100000084143 [1,1,0,0,0,0|0,0,1]=3 2378 B10R1.10 CNCc1cccc(n1)Br 2230a_100016987751_200000210301 [1,1,0,0,0,0|1,0,1]=4 2379 B10R1.10 CNCc1cccc(n1)Br 2230a_106832991635_100009889011 [1,1,0,0,0,0|1,0,1]=4 2380 B10R1.10 CNCc1cccc(n1)Br 270004a_106832991635_100000688028 [1,1,0,0,0,0|1,0,1]=4 2381 B10R1.10 CNCc1cccc(n1)Br 34a_100102657272_100009889011 [1,1,0,0,0,0|1,0,1]=4 2382 B10R1.10 CNCc1cccc(n1)Br 7a_106832991635_100009889011 [1,1,0,0,0,0|1,0,1]=4 2383 B10R1.10 CNCc1cccc(n1)C 207a_100102657272_100011215050 [1,1,0,0,0,0|1,0,1]=4 2384 B10R1.10 CNCc1cccc(n1)C 2230a_106832991635_100000757606 [1,1,0,0,0,0|1,0,1]=4 2385 B10R1.10 CNCc1cccc(n1)C 270004a_106832991635_100011215050 [1,1,0,0,0,0|1,0,1]=4 2386 B10R1.10 CNCc1cccc(n1)C 34a_100000701342_200000210301 [1,1,0,0,0,0|1,0,1]=4 2387 B10R1.10 CNCc1cccc(n1)C 34a_100102657272_100000757606 [1,1,0,0,0,0|1,0,1]=4 2388 B10R1.10 CNCc1cccc(n1)C 7a_106832991635_100000757606 [1,1,0,0,0,0|1,0,1]=4 2389 B10R1.10 CNCc1cccc(n1)Cl 2230a_100016990191_200000210301 [1,1,0,0,0,0|1,0,1]=4 2390 B10R1.10 CNCc1cccc(n1)Cl 2230a_106832991635_100000086093 [1,1,0,0,0,0|1,0,1]=4 2391 B10R1.10 CNCc1cccc(n1)Cl 270004a_106832991635_100011361687 [1,1,0,0,0,0|1,0,1]=4 2392 B10R1.10 CNCc1cccc(n1)Cl 34a_100102657272_100000086093 [1,1,0,0,0,0|1,0,1]=4 2393 B10R1.10 CNCc1cccc(n1)Cl 7a_106832991635_100000086093 [1,1,0,0,0,0|1,0,1]=4 2394 B10R1.10 CNCc1cccc(n1)F 2230a_100015188798_200000210301 [1,1,0,0,0,0|1,0,1]=4 2395 B10R1.10 CNCc1cccc(n1)F 2230a_106832991635_100009819644 [1,1,0,0,0,0|1,0,1]=4 2396 B10R1.10 CNCc1cccc(n1)F 270004a_106832991635_100000050434 [1,1,0,0,0,0|1,0,1]=4 2397 B10R1.10 CNCc1cccc(n1)F 34a_100015188798_200000210301 [1,1,0,0,0,0|1,0,1]=4 2398 B10R1.10 CNCc1cccc(n1)F 34a_100102657272_100009819644 [1,1,0,0,0,0|1,0,1]=4 2399 B10R1.10 CNCc1cccc(n1)F 7a_106832991635_100009819644 [1,1,0,0,0,0|1,0,1]=4 2400 B10R1.10 CNCc1cccc(n1)O 271570a_203496583355_106354212997 [1,1,0,0,0,0|1,0,1]=4 2401 B10R1.10 CNCc1ccnc(c1)Br 2230a_100025757509_200000210301 [1,1,0,0,0,0|1,0,1]=4 2402 B10R1.10 CNCc1ccnc(c1)Br 2230a_106832991635_100010243470 [1,1,0,0,0,0|1,0,1]=4 2403 B10R1.10 CNCc1ccnc(c1)Br 270004a_106832991635_100009814634 [1,1,0,0,0,0|1,0,1]=4 2404 B10R1.10 CNCc1ccnc(c1)Br 34a_100025757509_200000210301 [1,1,0,0,0,0|1,0,1]=4 2405 B10R1.10 CNCc1ccnc(c1)Br 34a_100102657272_100010243470 [1,1,0,0,0,0|1,0,1]=4 2406 B10R1.10 CNCc1ccnc(c1)Br 7a_106832991635_100010254460 [1,1,0,0,0,0|1,0,1]=4 2407 B10R1.10 CNCc1ccnc(c1)C 207a_100102657272_100011361630 [1,1,0,0,0,0|1,0,1]=4 2408 B10R1.10 CNCc1ccnc(c1)C 2230a_106832991635_200020672517 [1,1,0,0,0,0|1,0,1]=4 2409 B10R1.10 CNCc1ccnc(c1)C 270004a_106832991635_100011361630 [1,1,0,0,0,0|1,0,1]=4 2410 B10R1.10 CNCc1ccnc(c1)C 34a_100011934566_200000210301 [1,1,0,0,0,0|1,0,1]=4 2411 B10R1.10 CNCc1ccnc(c1)C 34a_100102657272_200020672517 [1,1,0,0,0,0|1,0,1]=4 2412 B10R1.10 CNCc1ccnc(c1)C 7a_106832991635_200020672517 [1,1,0,0,0,0|1,0,1]=4 2413 B10R1.10 CNCc1ccnc(c1)Cl 2230a_100015205668_200000210301 [1,1,0,0,0,0|1,0,1]=4 2414 B10R1.10 CNCc1ccnc(c1)Cl 2230a_106832991635_100000764220 [1,1,0,0,0,0|1,0,1]=4 2415 B10R1.10 CNCc1ccnc(c1)Cl 270004a_106832991635_100011290808 [1,1,0,0,0,0|1,0,1]=4 2416 B10R1.10 CNCc1ccnc(c1)Cl 34a_100015205668_200000210301 [1,1,0,0,0,0|1,0,1]=4 2417 B10R1.10 CNCc1ccnc(c1)Cl 34a_100102657272_100000764220 [1,1,0,0,0,0|1,0,1]=4 2418 B10R1.10 CNCc1ccnc(c1)Cl 7a_106832991635_100000764220 [1,1,0,0,0,0|1,0,1]=4 2419 B10R1.10 CNCc1ccnc(c1)F 2230a_100015188774_200000210301 [1,1,0,0,0,0|1,0,1]=4 2420 B10R1.10 CNCc1ccnc(c1)F 270004a_106832991635_100000068331 [1,1,0,0,0,0|1,0,1]=4 2421 B10R1.10 CNCc1ccnc(c1)F 34a_100015188774_200000210301 [1,1,0,0,0,0|1,0,1]=4 2422 B10R1.10 CNCc1ccnc(c1)O 207a_100102657272_100000688113 [1,1,0,0,0,0|1,0,1]=4 2423 B10R1.10 CNCc1cncc(c1)Br 207a_100102657272_100000687066 [1,1,0,0,0,0|1,0,1]=4 2424 B10R1.10 CNCc1cncc(c1)Br 2230a_106832991635_100000738771 [1,1,0,0,0,0|1,0,1]=4 2425 B10R1.10 CNCc1cncc(c1)Br 270004a_106832991635_100000687066 [1,1,0,0,0,0|1,0,1]=4 2426 B10R1.10 CNCc1cncc(c1)Br 34a_100102657272_100000738771 [1,1,0,0,0,0|1,0,1]=4 2427 B10R1.10 CNCc1cncc(c1)Br 7a_106832991635_100000738771 [1,1,0,0,0,0|1,0,1]=4 2428 B10R1.10 CNCc1cncc(c1)C 207a_100102657272_100011998712 [1,1,0,0,0,0|1,0,1]=4 2429 B10R1.10 CNCc1cncc(c1)C 2230a_100000692839_200000210301 [1,1,0,0,0,0|1,0,1]=4 2430 B10R1.10 CNCc1cncc(c1)C 2230a_106832991635_100000716715 [1,1,0,0,0,0|1,0,1]=4 2431 B10R1.10 CNCc1cncc(c1)C 270004a_106832991635_100011998712 [1,1,0,0,0,0|1,0,1]=4 2432 B10R1.10 CNCc1cncc(c1)C 34a_100000692839_200000210301 [1,1,0,0,0,0|1,0,1]=4 2433 B10R1.10 CNCc1cncc(c1)C 34a_100102657272_100000716715 [1,1,0,0,0,0|1,0,1]=4 2434 B10R1.10 CNCc1cncc(c1)C 7a_106832991635_100000716715 [1,1,0,0,0,0|1,0,1]=4 2435 B10R1.10 CNCc1cncc(c1)Cl 207a_100102657272_100000088910 [1,1,0,0,0,0|1,0,1]=4 2436 B10R1.10 CNCc1cncc(c1)Cl 2230a_106832991635_100016992070 [1,1,0,0,0,0|1,0,1]=4 2437 B10R1.10 CNCc1cncc(c1)Cl 2230a_200020614424_200000210301 [1,1,0,0,0,0|1,0,1]=4 2438 B10R1.10 CNCc1cncc(c1)Cl 270004a_106832991635_100000088910 [1,1,0,0,0,0|1,0,1]=4 2439 B10R1.10 CNCc1cncc(c1)Cl 34a_100102657272_100016992070 [1,1,0,0,0,0|1,0,1]=4 2440 B10R1.10 CNCc1cncc(c1)Cl 7a_106832991635_100016992070 [1,1,0,0,0,0|1,0,1]=4 2441 B10R1.10 CNCc1cncc(c1)F 207a_100102657272_100011361476 [1,1,0,0,0,0|1,0,1]=4 2442 B10R1.10 CNCc1cncc(c1)F 2230a_100011962886_200000210301 [1,1,0,0,0,0|1,0,1]=4 2443 B10R1.10 CNCc1cncc(c1)F 2230a_106832991635_100000725299 [1,1,0,0,0,0|1,0,1]=4 2444 B10R1.10 CNCc1cncc(c1)F 270004a_106832991635_100011361476 [1,1,0,0,0,0|1,0,1]=4 2445 B10R1.10 CNCc1cncc(c1)F 34a_100011962886_200000210301 [1,1,0,0,0,0|1,0,1]=4 2446 B10R1.10 CNCc1cncc(c1)F 34a_100102657272_100000725299 [1,1,0,0,0,0|1,0,1]=4 2447 B10R1.10 CNCc1cncc(c1)F 7a_106832991635_100000725299 [1,1,0,0,0,0|1,0,1]=4 2448 B10R1.10 CNCc1cncc(c1)O 207a_100102657272_100012187055 [1,1,0,0,0,0|1,0,1]=4 2449 B10R1.10 CNCc1cncc(c1)O 270004a_106832991635_100012187055 [1,1,0,0,0,0|1,0,1]=4 2450 B10R1.10 CNCc1cncc(c1)O 271570a_203496583355_103549770560 [1,1,0,0,0,0|1,0,1]=4 2451 B10R1.10 COCc1cccc(c1)Br 34a_100000687537_200000210301 [1,1,0,0,0,0|1,0,1]=4 2452 B10R1.10 COCc1cccc(c1)Br 34a_100138415774_100000698116 [1,1,0,0,0,0|1,0,1]=4 2453 B10R1.10 COCc1cccc(c1)Br 7a_100000687537_200000210301 [1,1,0,0,0,0|1,0,1]=4 2454 B10R1.10 COCc1cccc(c1)C 34a_100011217746_200000210301 [1,1,0,0,0,0|1,0,1]=4 2455 B10R1.10 COCc1cccc(c1)C 34a_100138415774_100000211840 [1,1,0,0,0,0|1,0,1]=4 2456 B10R1.10 COCc1cccc(c1)C 7a_100011217746_200000210301 [1,1,0,0,0,0|1,0,1]=4 2457 B10R1.10 COCc1cccc(c1)Cl 34a_100000241301_200000210301 [1,1,0,0,0,0|1,0,1]=4 2458 B10R1.10 COCc1cccc(c1)Cl 34a_100138415774_100000187163 [1,1,0,0,0,0|1,0,1]=4 2459 B10R1.10 COCc1cccc(c1)Cl 7a_100000241301_200000210301 [1,1,0,0,0,0|1,0,1]=4 2460 B10R1.10 COCc1cccc(c1)F 34a_100000210976_200000210301 [1,1,0,0,0,0|1,0,1]=4 2461 B10R1.10 COCc1cccc(c1)F 34a_100138415774_100000187166 [1,1,0,0,0,0|1,0,1]=4 2462 B10R1.10 COCc1cccc(c1)F 7a_100000210976_200000210301 [1,1,0,0,0,0|1,0,1]=4 2463 B10R1.10 COCc1cccc(c1)I 34a_100011215336_200000210301 [1,1,0,0,0,0|1,0,1]=4 2464 B10R1.10 COCc1cccc(c1)I 34a_100138415774_100011218688 [1,1,0,0,0,0|1,0,1]=4 2465 B10R1.10 COCc1cccc(c1)I 7a_100011215336_200000210301 [1,1,0,0,0,0|1,0,1]=4 2466 B10R1.10 COCc1cccc(c1)N 34a_100000211919_200000210301 [1,1,0,0,0,0|1,0,1]=4 2467 B10R1.10 COCc1cccc(c1)O 271570a_203496583355_100011493687 [1,1,0,0,0,0|1,0,1]=4 2468 B10R1.10 COCc1cccc(c1)O 34a_100138415774_100011660834 [1,1,0,0,0,0|1,0,1]=4 2469 B10R1.10 CSCc1cccc(c1)Br 62a_100000211773_200000210301 [1,1,0,0,0,0|1,0,1]=4 2470 B10R1.10 CSCc1cccc(c1)Br 62a_200000210301_100000211773 [1,1,0,0,0,0|1,0,1]=4 2471 B10R1.10 CSCc1cccc(c1)C 62a_100000211840_200000210301 [1,1,0,0,0,0|1,0,1]=4 2472 B10R1.10 CSCc1cccc(c1)C 62a_200000210301_100000211840 [1,1,0,0,0,0|1,0,1]=4 2473 B10R1.10 CSCc1cccc(c1)Cl 62a_100000187163_200000210301 [1,1,0,0,0,0|1,0,1]=4 2474 B10R1.10 CSCc1cccc(c1)Cl 62a_200000210301_100000187163 [1,1,0,0,0,0|1,0,1]=4 2475 B10R1.10 CSCc1cccc(c1)F 62a_100000230114_200000210301 [1,1,0,0,0,0|1,0,1]=4 2476 B10R1.10 CSCc1cccc(c1)F 62a_200000210301_100000230114 [1,1,0,0,0,0|1,0,1]=4 2477 B10R1.10 CSCc1cccc(c1)I 62a_100011218688_200000210301 [1,1,0,0,0,0|1,0,1]=4 2478 B10R1.10 CSCc1cccc(c1)I 62a_200000210301_100011218688 [1,1,0,0,0,0|1,0,1]=4 2479 B10R1.10 CSCc1cccc(c1)O 62a_100011660834_200000210301 [1,1,0,0,0,0|1,0,1]=4 2480 B10R1.10 CSCc1cccc(c1)O 62a_200000210301_100011660834 [1,1,0,0,0,0|1,0,1]=4 2481 B10R1.10 Cc1cc(ccn1)CN[13CH3] 34a_100011934566_200025704644 [1,1,0,0,0,0|1,0,1]=4 2482 B10R1.10 Cc1cccc(c1)CN[13CH3] 2230a_100000185548_200025704644 [1,1,0,0,0,0|0,0,1]=3 2483 B10R1.10 Cc1cccc(c1)CN[13CH3] 34a_100000185548_200025704644 [1,1,0,0,0,0|0,0,1]=3 2484 B10R1.10 Cc1cccc(c1)CO[13CH3] 34a_100011217746_200025704644 [1,1,0,0,0,0|1,0,1]=4 2485 B10R1.10 Cc1cccc(c1)CO[13CH3] 7a_100011217746_200025704644 [1,1,0,0,0,0|1,0,1]=4 2486 B10R1.10 Cc1cccc(c1)CS[13CH3] 62a_100000211840_200025704644 [1,1,0,0,0,0|1,0,1]=4 2487 B10R1.10 Cc1cccc(c1)CS[13CH3] 62a_200025704644_100000211840 [1,1,0,0,0,0|1,0,1]=4 2488 B10R1.10 Cc1cccc(c1)NCF 34a_100000188690_100015361967 [1,1,0,0,0,0|1,0,1]=4 2489 B10R1.10 Cc1cccc(n1)CN[13CH3] 34a_100000701342_200025704644 [1,1,0,0,0,0|1,0,1]=4 2490 B10R1.10 Cc1cncc(c1)CN[13CH3] 2230a_100000692839_200025704644 [1,1,0,0,0,0|1,0,1]=4 2491 B10R1.10 Cc1cncc(c1)CN[13CH3] 34a_100000692839_200025704644 [1,1,0,0,0,0|1,0,1]=4 2492 B10R1.10 FCNc1cccc(c1)Br 34a_100000210019_100015361967 [1,1,0,0,0,0|1,0,1]=4 2493 B10R1.10 FCNc1cccc(c1)Cl 34a_100000185859_100015361967 [1,1,0,0,0,0|1,0,1]=4 2494 B10R1.10 FCNc1cccc(c1)F 34a_100000210047_100015361967 [1,1,0,0,0,0|1,0,1]=4 2495 B10R1.10 FCNc1cccc(c1)I 34a_100000211102_100015361967 [1,1,0,0,0,0|1,0,1]=4 2496 B10R1.10 N#CCc1cccc(c1)O 271570a_203496583355_100000034040 [1,1,0,0,0,0|1,0,1]=4 2497 B10R1.10 NCCc1cccc(c1)O 271570a_203496583355_100011207229 [1,1,0,0,0,0|1,0,1]=4 2498 B10R1.10 NNCc1cccc(c1)O 271570a_203496583355_100000686200 [1,1,0,0,0,0|1,0,0]=3 2499 B10R1.10 O=CCc1cccc(c1)O 271570a_203496583355_200000698211 [1,1,0,0,0,0|0,0,0]=2 2500 B10R1.10 OCCc1cccc(c1)O 271570a_203496583355_100011217444 [1,1,0,0,0,0|0,0,2]=4 2501 B10R1.10 Oc1cccc(c1)NCF 34a_100000210217_100015361967 [1,1,0,0,0,0|1,0,1]=4 2502 B10R1.10 [13CH3]NCc1cccc(=O)[nH]1 2230a_100000696482_200025704644 [1,1,0,0,0,0|1,0,1]=4 2503 B10R1.10 [13CH3]NCc1cccc(c1)Br 2230a_100000174977_200025704644 [1,1,0,0,0,0|0,0,1]=3 2504 B10R1.10 [13CH3]NCc1cccc(c1)Br 34a_100000174977_200025704644 [1,1,0,0,0,0|0,0,1]=3 2505 B10R1.10 [13CH3]NCc1cccc(c1)Cl 2230a_100000174878_200025704644 [1,1,0,0,0,0|0,0,1]=3 2506 B10R1.10 [13CH3]NCc1cccc(c1)Cl 34a_100000174878_200025704644 [1,1,0,0,0,0|0,0,1]=3 2507 B10R1.10 [13CH3]NCc1cccc(c1)F 2230a_100000174948_200025704644 [1,1,0,0,0,0|0,0,1]=3 2508 B10R1.10 [13CH3]NCc1cccc(c1)F 34a_100000174948_200025704644 [1,1,0,0,0,0|0,0,1]=3 2509 B10R1.10 [13CH3]NCc1cccc(c1)I 2230a_100000106179_200025704644 [1,1,0,0,0,0|0,0,1]=3 2510 B10R1.10 [13CH3]NCc1cccc(c1)I 34a_100000106179_200025704644 [1,1,0,0,0,0|0,0,1]=3 2511 B10R1.10 [13CH3]NCc1cccc(c1)O 2230a_100000743036_200025704644 [1,1,0,0,0,0|0,0,1]=3 2512 B10R1.10 [13CH3]NCc1cccc(c1)O 34a_100000743036_200025704644 [1,1,0,0,0,0|0,0,1]=3 2513 B10R1.10 [13CH3]NCc1cccc(n1)Br 2230a_100016987751_200025704644 [1,1,0,0,0,0|1,0,1]=4 2514 B10R1.10 [13CH3]NCc1cccc(n1)Cl 2230a_100016990191_200025704644 [1,1,0,0,0,0|1,0,1]=4 2515 B10R1.10 [13CH3]NCc1cccc(n1)F 2230a_100015188798_200025704644 [1,1,0,0,0,0|1,0,1]=4 2516 B10R1.10 [13CH3]NCc1cccc(n1)F 34a_100015188798_200025704644 [1,1,0,0,0,0|1,0,1]=4 2517 B10R1.10 [13CH3]NCc1ccnc(c1)Br 2230a_100025757509_200025704644 [1,1,0,0,0,0|1,0,1]=4 2518 B10R1.10 [13CH3]NCc1ccnc(c1)Br 34a_100025757509_200025704644 [1,1,0,0,0,0|1,0,1]=4 2519 B10R1.10 [13CH3]NCc1ccnc(c1)Cl 2230a_100015205668_200025704644 [1,1,0,0,0,0|1,0,1]=4 2520 B10R1.10 [13CH3]NCc1ccnc(c1)Cl 34a_100015205668_200025704644 [1,1,0,0,0,0|1,0,1]=4 2521 B10R1.10 [13CH3]NCc1ccnc(c1)F 2230a_100015188774_200025704644 [1,1,0,0,0,0|1,0,1]=4 2522 B10R1.10 [13CH3]NCc1ccnc(c1)F 34a_100015188774_200025704644 [1,1,0,0,0,0|1,0,1]=4 2523 B10R1.10 [13CH3]NCc1cncc(c1)Cl 2230a_200020614424_200025704644 [1,1,0,0,0,0|1,0,1]=4 2524 B10R1.10 [13CH3]NCc1cncc(c1)F 2230a_100011962886_200025704644 [1,1,0,0,0,0|1,0,1]=4 2525 B10R1.10 [13CH3]NCc1cncc(c1)F 34a_100011962886_200025704644 [1,1,0,0,0,0|1,0,1]=4 2526 B10R1.10 [13CH3]OCc1cccc(c1)Br 34a_100000687537_200025704644 [1,1,0,0,0,0|1,0,1]=4 2527 B10R1.10 [13CH3]OCc1cccc(c1)Br 7a_100000687537_200025704644 [1,1,0,0,0,0|1,0,1]=4 2528 B10R1.10 [13CH3]OCc1cccc(c1)Cl 34a_100000241301_200025704644 [1,1,0,0,0,0|1,0,1]=4 2529 B10R1.10 [13CH3]OCc1cccc(c1)Cl 7a_100000241301_200025704644 [1,1,0,0,0,0|1,0,1]=4 2530 B10R1.10 [13CH3]OCc1cccc(c1)F 34a_100000210976_200025704644 [1,1,0,0,0,0|1,0,1]=4 2531 B10R1.10 [13CH3]OCc1cccc(c1)F 7a_100000210976_200025704644 [1,1,0,0,0,0|1,0,1]=4 2532 B10R1.10 [13CH3]OCc1cccc(c1)I 34a_100011215336_200025704644 [1,1,0,0,0,0|1,0,1]=4 2533 B10R1.10 [13CH3]OCc1cccc(c1)I 7a_100011215336_200025704644 [1,1,0,0,0,0|1,0,1]=4 2534 B10R1.10 [13CH3]OCc1cccc(c1)N 34a_100000211919_200025704644 [1,1,0,0,0,0|1,0,1]=4 2535 B10R1.10 [13CH3]SCc1cccc(c1)Br 62a_100000211773_200025704644 [1,1,0,0,0,0|1,0,1]=4 2536 B10R1.10 [13CH3]SCc1cccc(c1)Br 62a_200025704644_100000211773 [1,1,0,0,0,0|1,0,1]=4 2537 B10R1.10 [13CH3]SCc1cccc(c1)Cl 62a_100000187163_200025704644 [1,1,0,0,0,0|1,0,1]=4 2538 B10R1.10 [13CH3]SCc1cccc(c1)Cl 62a_200025704644_100000187163 [1,1,0,0,0,0|1,0,1]=4 2539 B10R1.10 [13CH3]SCc1cccc(c1)F 62a_100000230114_200025704644 [1,1,0,0,0,0|1,0,1]=4 2540 B10R1.10 [13CH3]SCc1cccc(c1)F 62a_200025704644_100000230114 [1,1,0,0,0,0|1,0,1]=4 2541 B10R1.10 [13CH3]SCc1cccc(c1)I 62a_100011218688_200025704644 [1,1,0,0,0,0|1,0,1]=4 2542 B10R1.10 [13CH3]SCc1cccc(c1)I 62a_200025704644_100011218688 [1,1,0,0,0,0|1,0,1]=4 2543 B10R1.10 [13CH3]SCc1cccc(c1)O 62a_100011660834_200025704644 [1,1,0,0,0,0|1,0,1]=4 2544 B10R1.10 [13CH3]SCc1cccc(c1)O 62a_200025704644_100011660834 [1,1,0,0,0,0|1,0,1]=4 2545 B10R1.15 CC(N[13CH3])c1ccccn1 2230a_100000181244_200025704644 [1,1,0,0,0,0|1,0,1]=4 2546 B10R1.15 CC(N[13CH3])c1cccnc1 2230a_100000195435_200025704644 [1,1,0,0,0,0|1,0,1]=4 2547 B10R1.15 CC(N[13CH3])c1ccncc1 2230a_100000181269_200025704644 [1,1,0,0,0,0|1,0,1]=4 2548 B10R1.15 CC(S[13CH3])c1ccccc1 62a_100000230085_200025704644 [1,1,0,0,0,0|1,0,1]=4 2549 B10R1.15 CC(S[13CH3])c1ccccc1 62a_200025704644_100000230085 [1,1,0,0,0,0|1,0,1]=4 2550 B10R1.15 CCN(C)c1ccccc1 2230a_100000210012_100000210202 [1,1,0,0,0,0|1,0,1]=4 2551 B10R1.15 CCN(C)c1ccccc1 2230a_100000210013_200000210301 [1,1,0,0,0,0|1,0,1]=4 2552 B10R1.15 CCN(C)c1ccccc1 269982a_100000210012_100000204670 [1,1,0,0,0,0|1,0,1]=4 2553 B10R1.15 CCN(C)c1ccccc1 269982a_100000210013_200000210301 [1,1,0,0,0,0|1,0,1]=4 2554 B10R1.15 CCN(C)c1ccccc1 34a_100000210012_100000210202 [1,1,0,0,0,0|1,0,1]=4 2555 B10R1.15 CCN(C)c1ccccc1 34a_100000210013_200000210301 [1,1,0,0,0,0|1,0,1]=4 2556 B10R1.15 CCN([13CH3])c1ccccc1 2230a_100000210013_200025704644 [1,1,0,0,0,0|1,0,1]=4 2557 B10R1.15 CCN([13CH3])c1ccccc1 269982a_100000210013_200025704644 [1,1,0,0,0,0|1,0,1]=4 2558 B10R1.15 CCN([13CH3])c1ccccc1 34a_100000210013_200025704644 [1,1,0,0,0,0|1,0,1]=4 2559 B10R1.15 CN(CF)c1ccccc1 269982a_100000210012_100015361967 [1,1,0,0,0,0|1,0,1]=4 2560 B10R1.15 CN(CF)c1ccccc1 34a_100000210012_100015361967 [1,1,0,0,0,0|1,0,1]=4 2561 B10R1.15 CNC(=O)c1ccccc1 11a_106832991635_100000185807 [1,1,0,0,0,0|0,0,2]=4 2562 B10R1.15 CNC(=O)c1ccccc1 1626a_100102657272_100000185807 [1,1,0,0,0,0|0,0,2]=4 2563 B10R1.15 CNC(=O)c1ccccc1 240690a_100102657272_100000185807 [1,1,0,0,0,0|0,0,2]=4 2564 B10R1.15 CNC(=O)c1ccccc1 527a_100102657272_100000185807 [1,1,0,0,0,0|0,0,2]=4 2565 B10R1.15 CNC(C)c1ccccc1 2230a_106832991635_100000230085 [1,1,0,0,0,0|0,0,1]=3 2566 B10R1.15 CNC(C)c1ccccc1 269862a_106832991636_100000185851 [1,1,0,0,0,0|0,0,1]=3 2567 B10R1.15 CNC(C)c1ccccc1 34a_100102657272_100000211855 [1,1,0,0,0,0|0,0,1]=3 2568 B10R1.15 CNC(C)c1ccccc1 7a_106832991635_100000230085 [1,1,0,0,0,0|0,0,1]=3 2569 B10R1.15 CNC(C)c1ccccn1 2230a_100000181244_200000210301 [1,1,0,0,0,0|1,0,1]=4 2570 B10R1.15 CNC(C)c1ccccn1 269862a_106832991636_100000210467 [1,1,0,0,0,0|1,0,1]=4 2571 B10R1.15 CNC(C)c1cccnc1 2230a_100000195435_200000210301 [1,1,0,0,0,0|1,0,1]=4 2572 B10R1.15 CNC(C)c1cccnc1 269862a_106832991636_100000210468 [1,1,0,0,0,0|1,0,1]=4 2573 B10R1.15 CNC(C)c1ccncc1 2230a_100000181269_200000210301 [1,1,0,0,0,0|1,0,1]=4 2574 B10R1.15 CNC(C)c1ccncc1 269862a_106832991636_100000185792 [1,1,0,0,0,0|1,0,1]=4 2575 B10R1.15 CN[C@H](C)c1ccccc1 2230a_100000751104_200000210301 [1,1,0,0,0,0|0,0,1]=3 2576 B10R1.15 COC(C)c1ccccc1 34a_100138415774_100000211855 [1,1,0,0,0,0|1,0,1]=4 2577 B10R1.15 CO[C@H](C)c1ccccc1 34a_100000761318_200000210301 [1,1,0,0,0,0|1,0,1]=4 2578 B10R1.15 CO[C@H](C)c1ccccc1 7a_100000761318_200000210301 [1,1,0,0,0,0|1,0,1]=4 2579 B10R1.15 CSC(C)c1ccccc1 62a_100000230085_200000210301 [1,1,0,0,0,0|1,0,1]=4 2580 B10R1.15 CSC(C)c1ccccc1 62a_200000210301_100000230085 [1,1,0,0,0,0|1,0,1]=4 2581 B10R1.15 C[C@@H](N[13CH3])c1ccccc1 2230a_100000751104_200025704644 [1,1,0,0,0,0|0,0,1]=3 2582 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 34a_100000761318_200025704644 [1,1,0,0,0,0|1,0,1]=4 2583 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 7a_100000761318_200025704644 [1,1,0,0,0,0|1,0,1]=4 2584 B10R1.18 CC(=Cc1ccccc1)C 271570a_100102525489_100000210277 [1,1,0,0,0,0|1,0,1]=4 2585 B10R1.18 CC(=O)C[n+]1ccccc1 1458a_200000086051_200000210301 [1,1,0,0,0,0|1,0,0]=3 2586 B10R1.18 CC(=O)Cc1ccccc1 1458a_100000070787_100015291786 [1,1,0,0,0,0|0,0,0]=2 2587 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000070787_100000721315 [1,1,0,0,0,0|1,0,0]=3 2588 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000233486_200000210301 [1,1,0,0,0,0|1,0,0]=3 2589 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000070787_100000733263 [1,1,0,0,0,0|1,0,0]=3 2590 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000737805_200000210301 [1,1,0,0,0,0|1,0,0]=3 2591 B10R1.18 CC(=O)Cc1cccnn1 1458a_100000070787_100016990269 [1,1,0,0,0,0|2,0,0]=4 2592 B10R1.18 CC(=O)Cc1ccncc1 1458a_100000070787_100000705612 [1,1,0,0,0,0|1,0,0]=3 2593 B10R1.18 CC(=O)Cc1cnccn1 1458a_100000070787_100016995436 [1,1,0,0,0,0|2,0,0]=4 2594 B10R1.18 CC(=O)Cc1cncnc1 1458a_100000070787_100015196519 [1,1,0,0,0,0|2,0,0]=4 2595 B10R1.18 CC(=O)Cc1cncnc1 1458a_100000721575_200000210301 [1,1,0,0,0,0|2,0,0]=4 2596 B10R1.18 CC(=O)Cc1ncccn1 1458a_100000070787_100000703007 [1,1,0,0,0,0|2,0,0]=4 2597 B10R1.18 CC(=O)Nc1ccccc1 11a_100000106764_100015343762 [1,1,0,0,0,0|0,0,0]=2 2598 B10R1.18 CC(=O)Nc1ccccc1 1626a_100000106764_100015343762 [1,1,0,0,0,0|0,0,0]=2 2599 B10R1.18 CC(=O)Nc1ccccc1 22a_100000106764_100000070787 [1,1,0,0,0,0|0,0,0]=2 2600 B10R1.18 CC(=O)Nc1ccccc1 527a_100000106764_100103153847 [1,1,0,0,0,0|0,0,0]=2 2601 B10R1.18 CC(C)Nc1ccccc1 34a_100000106764_100000210206 [1,1,0,0,0,0|1,0,1]=4 2602 B10R1.18 CN(C)Cc1ccccc1 2230a_100000186898_200000210301 [1,1,0,0,0,0|0,0,1]=3 2603 B10R1.18 CN(C)Cc1ccccc1 2230a_100102631434_100015291786 [1,1,0,0,0,0|0,0,1]=3 2604 B10R1.18 CN(C)Cc1ccccc1 269982a_100000186898_200000210301 [1,1,0,0,0,0|0,0,1]=3 2605 B10R1.18 CN(C)Cc1ccccc1 269982a_100102631434_100000211182 [1,1,0,0,0,0|0,0,1]=3 2606 B10R1.18 CN(C)Cc1ccccc1 270004a_100102631434_100015611070 [1,1,0,0,0,0|0,0,1]=3 2607 B10R1.18 CN(C)Cc1ccccn1 2230a_100000207498_200000210301 [1,1,0,0,0,0|1,0,1]=4 2608 B10R1.18 CN(C)Cc1ccccn1 2230a_100102631434_100000721315 [1,1,0,0,0,0|1,0,1]=4 2609 B10R1.18 CN(C)Cc1ccccn1 269982a_100000207498_200000210301 [1,1,0,0,0,0|1,0,1]=4 2610 B10R1.18 CN(C)Cc1ccccn1 269982a_100102631434_100000721315 [1,1,0,0,0,0|1,0,1]=4 2611 B10R1.18 CN(C)Cc1ccccn1 270004a_100102631434_100000209966 [1,1,0,0,0,0|1,0,1]=4 2612 B10R1.18 CN(C)Cc1cccnc1 2230a_100000184577_200000210301 [1,1,0,0,0,0|1,0,1]=4 2613 B10R1.18 CN(C)Cc1cccnc1 2230a_100102631434_100000741622 [1,1,0,0,0,0|1,0,1]=4 2614 B10R1.18 CN(C)Cc1cccnc1 269982a_100000184577_200000210301 [1,1,0,0,0,0|1,0,1]=4 2615 B10R1.18 CN(C)Cc1cccnc1 269982a_100102631434_100000733263 [1,1,0,0,0,0|1,0,1]=4 2616 B10R1.18 CN(C)Cc1cccnc1 270004a_100102631434_100000209961 [1,1,0,0,0,0|1,0,1]=4 2617 B10R1.18 CN(C)Cc1ccncc1 2230a_100000187231_200000210301 [1,1,0,0,0,0|1,0,1]=4 2618 B10R1.18 CN(C)Cc1ccncc1 2230a_100102631434_100015193705 [1,1,0,0,0,0|1,0,1]=4 2619 B10R1.18 CN(C)Cc1ccncc1 269982a_100000187231_200000210301 [1,1,0,0,0,0|1,0,1]=4 2620 B10R1.18 CN(C)Cc1ccncc1 269982a_100102631434_100015193705 [1,1,0,0,0,0|1,0,1]=4 2621 B10R1.18 CN([13CH3])Cc1ccccc1 2230a_100000186898_200025704644 [1,1,0,0,0,0|0,0,1]=3 2622 B10R1.18 CN([13CH3])Cc1ccccc1 269982a_100000186898_200025704644 [1,1,0,0,0,0|0,0,1]=3 2623 B10R1.18 CN([13CH3])Cc1ccccn1 2230a_100000207498_200025704644 [1,1,0,0,0,0|1,0,1]=4 2624 B10R1.18 CN([13CH3])Cc1ccccn1 269982a_100000207498_200025704644 [1,1,0,0,0,0|1,0,1]=4 2625 B10R1.18 CN([13CH3])Cc1cccnc1 2230a_100000184577_200025704644 [1,1,0,0,0,0|1,0,1]=4 2626 B10R1.18 CN([13CH3])Cc1cccnc1 269982a_100000184577_200025704644 [1,1,0,0,0,0|1,0,1]=4 2627 B10R1.18 CN([13CH3])Cc1ccncc1 2230a_100000187231_200025704644 [1,1,0,0,0,0|1,0,1]=4 2628 B10R1.18 CN([13CH3])Cc1ccncc1 269982a_100000187231_200025704644 [1,1,0,0,0,0|1,0,1]=4 2629 B10R1.18 [13CH3]C(=O)C[n+]1ccccc1 1458a_200000086051_200025704644 [1,1,0,0,0,0|1,0,0]=3 2630 B10R1.18 [13CH3]C(=O)Cc1ccccn1 1458a_100000233486_200025704644 [1,1,0,0,0,0|1,0,0]=3 2631 B10R1.18 [13CH3]C(=O)Cc1cccnc1 1458a_100000737805_200025704644 [1,1,0,0,0,0|1,0,0]=3 2632 B10R1.18 [13CH3]C(=O)Cc1cncnc1 1458a_100000721575_200025704644 [1,1,0,0,0,0|2,0,0]=4 2633 B10R1.21 C=CCNCc1ccco1 2230a_100000185738_100000210623 [0,1,0,0,1,0|2,0,0]=4 2634 B10R1.21 C=CCNCc1ccco1 270004a_100020586998_100000186105 [0,1,0,0,1,0|2,0,0]=4 2635 B10R1.21 C=CCNCc1ccco1 34a_100000185738_100015514636 [0,1,0,0,1,0|2,0,0]=4 2636 B10R1.21 C=CCNCc1cccs1 2230a_100000211653_100000210623 [0,1,0,0,1,0|2,0,0]=4 2637 B10R1.21 C=CCNCc1cccs1 270004a_100020586998_100000209959 [0,1,0,0,1,0|2,0,0]=4 2638 B10R1.21 C=CCNCc1ccoc1 2230a_100015206860_100000210623 [0,1,0,0,1,0|2,0,0]=4 2639 B10R1.21 C=CCNCc1ccoc1 270004a_100020586998_100011215517 [0,1,0,0,1,0|2,0,0]=4 2640 B10R1.21 C=CCNCc1ccoc1 34a_100015206860_100015514636 [0,1,0,0,1,0|2,0,0]=4 2641 B10R1.21 C=CCNCc1ccsc1 2230a_100000186416_100000210623 [0,1,0,0,1,0|2,0,0]=4 2642 B10R1.21 C=CCNCc1ccsc1 2230a_100020586998_100011261437 [0,1,0,0,1,0|2,0,0]=4 2643 B10R1.21 C=CCNCc1ccsc1 270004a_100020586998_100000188534 [0,1,0,0,1,0|2,0,0]=4 2644 B10R1.21 C=CCNCc1ccsc1 34a_100000186416_100015514636 [0,1,0,0,1,0|2,0,0]=4 2645 B10R1.21 O=CCNCc1ccco1 2230a_100000185738_200015260668 [0,1,0,0,1,0|1,0,0]=3 2646 B10R1.21 O=CCNCc1ccco1 34a_100000185738_200009817547 [0,1,0,0,1,0|1,0,0]=3 2647 B10R1.21 O=CCNCc1cccs1 2230a_100000211653_200015260668 [0,1,0,0,1,0|1,0,0]=3 2648 B10R1.21 O=CCNCc1ccoc1 2230a_100015206860_200015260668 [0,1,0,0,1,0|1,0,0]=3 2649 B10R1.21 O=CCNCc1ccoc1 34a_100015206860_200009817547 [0,1,0,0,1,0|1,0,0]=3 2650 B10R1.21 O=CCNCc1ccsc1 2230a_100000186416_200015260668 [0,1,0,0,1,0|1,0,0]=3 2651 B10R1.21 O=CCNCc1ccsc1 34a_100000186416_200009817547 [0,1,0,0,1,0|1,0,0]=3 2652 B10R1.21 O=CCNCc1cncs1 2230a_100016987365_200015260668 [0,1,0,0,1,0|2,0,0]=4 2653 B10R1.21 O=CCNCc1cscn1 2230a_100015185402_200015260668 [0,1,0,0,1,0|2,0,0]=4 2654 B10R1.21 O=CCNCc1ncco1 2230a_100016994969_200015260668 [0,1,0,0,1,0|2,0,0]=4 2655 B10R1.21 O=CCNCc1nccs1 2230a_100000740555_200015260668 [0,1,0,0,1,0|2,0,0]=4 2656 B10R1.21 O=CCOCc1ccco1 34a_100000210059_200009817547 [0,1,0,0,1,0|2,0,0]=4 2657 B10R1.21 O=CCOCc1cccs1 34a_100000211240_200009817547 [0,1,0,0,1,0|2,0,0]=4 2658 B10R1.21 O=CCOCc1ccoc1 34a_100011215357_200009817547 [0,1,0,0,1,0|2,0,0]=4 2659 B10R1.21 O=CCOCc1ccsc1 34a_100011215551_200009817547 [0,1,0,0,1,0|2,0,0]=4 2660 B10R1.21 O=CCSCc1ccsc1 62a_100011261437_200015260668 [0,1,0,0,1,0|2,0,0]=4 2661 B10R1.21 O=CCSCc1ccsc1 62a_200015260668_100011233845 [0,1,0,0,1,0|2,0,0]=4 2662 B10R1.66 CC(=O)CCc1cc[nH]c1 1458a_200000093579_200000210301 [0,1,0,0,1,0|2,0,0]=4 2663 B10R1.66 CC(=O)CCc1ccc[nH]1 1458a_200011998680_200000210301 [0,1,0,0,1,0|2,0,0]=4 2664 B10R1.66 CC(=O)CCc1ccco1 1458a_100000185103_200000210301 [0,1,0,0,1,0|2,0,0]=4 2665 B10R1.66 CC(=O)CCc1cccs1 1458a_100000070787_100000748579 [0,1,0,0,1,0|2,0,0]=4 2666 B10R1.66 CC(=O)CCc1cccs1 1458a_100000185280_200000210301 [0,1,0,0,1,0|2,0,0]=4 2667 B10R1.66 CC(=O)CCc1ccsc1 1458a_100000195497_200000210301 [0,1,0,0,1,0|2,0,0]=4 2668 B10R1.66 CC(=O)CCn1cccc1 1458a_100000070787_200000035178 [0,1,0,0,1,0|2,0,0]=4 2669 B10R1.66 CC(=O)CCn1cccc1 1458a_100011196273_200000210301 [0,1,0,0,1,0|2,0,0]=4 2670 B10R1.66 CC(=O)NCc1c[nH]cn1 11a_100000758547_100015343762 [0,1,0,0,1,0|2,0,0]=4 2671 B10R1.66 CC(=O)NCc1c[nH]cn1 240690a_100000758547_100015343762 [0,1,0,0,1,0|2,0,0]=4 2672 B10R1.66 CC(=O)NCc1c[nH]cn1 527a_100000758547_100103153847 [0,1,0,0,1,0|2,0,0]=4 2673 B10R1.66 CC(=O)NCc1cc[nH]n1 11a_100000739516_100015343762 [0,1,0,0,1,0|2,0,0]=4 2674 B10R1.66 CC(=O)NCc1cc[nH]n1 240690a_100000739516_100015343762 [0,1,0,0,1,0|2,0,0]=4 2675 B10R1.66 CC(=O)NCc1cc[nH]n1 527a_100000739516_100103153847 [0,1,0,0,1,0|2,0,0]=4 2676 B10R1.66 CC(=O)NCc1ccc[nH]1 11a_100000764082_100015343762 [0,1,0,0,1,0|1,0,0]=3 2677 B10R1.66 CC(=O)NCc1ccc[nH]1 240690a_100000764082_100015343762 [0,1,0,0,1,0|1,0,0]=3 2678 B10R1.66 CC(=O)NCc1ccc[nH]1 527a_100000764082_100103153847 [0,1,0,0,1,0|1,0,0]=3 2679 B10R1.66 CC(=O)NCc1ccco1 11a_100000185738_100015343762 [0,1,0,0,1,0|1,0,0]=3 2680 B10R1.66 CC(=O)NCc1ccco1 1626a_100000185738_100015343762 [0,1,0,0,1,0|1,0,0]=3 2681 B10R1.66 CC(=O)NCc1ccco1 240690a_100000185738_100015343762 [0,1,0,0,1,0|1,0,0]=3 2682 B10R1.66 CC(=O)NCc1ccco1 527a_100000185738_100103153847 [0,1,0,0,1,0|1,0,0]=3 2683 B10R1.66 CC(=O)NCc1cccs1 11a_100000211653_100015343762 [0,1,0,0,1,0|1,0,0]=3 2684 B10R1.66 CC(=O)NCc1cccs1 1626a_100000211653_100015343762 [0,1,0,0,1,0|1,0,0]=3 2685 B10R1.66 CC(=O)NCc1cccs1 240690a_100000211653_100015343762 [0,1,0,0,1,0|1,0,0]=3 2686 B10R1.66 CC(=O)NCc1cccs1 527a_100000211653_100103153847 [0,1,0,0,1,0|1,0,0]=3 2687 B10R1.66 CC(=O)NCc1ccoc1 11a_100015206860_100015343762 [0,1,0,0,1,0|1,0,0]=3 2688 B10R1.66 CC(=O)NCc1ccoc1 1626a_100015206860_100015343762 [0,1,0,0,1,0|1,0,0]=3 2689 B10R1.66 CC(=O)NCc1ccoc1 240690a_100015206860_100015343762 [0,1,0,0,1,0|1,0,0]=3 2690 B10R1.66 CC(=O)NCc1ccoc1 527a_100015206860_100103153847 [0,1,0,0,1,0|1,0,0]=3 2691 B10R1.66 CC(=O)NCc1ccon1 11a_100000688301_100015343762 [0,1,0,0,1,0|2,0,0]=4 2692 B10R1.66 CC(=O)NCc1ccon1 240690a_100000688301_100015343762 [0,1,0,0,1,0|2,0,0]=4 2693 B10R1.66 CC(=O)NCc1ccon1 527a_100000688301_100103153847 [0,1,0,0,1,0|2,0,0]=4 2694 B10R1.66 CC(=O)NCc1ccsc1 11a_100000186416_100015343762 [0,1,0,0,1,0|1,0,0]=3 2695 B10R1.66 CC(=O)NCc1ccsc1 1626a_100000186416_100015343762 [0,1,0,0,1,0|1,0,0]=3 2696 B10R1.66 CC(=O)NCc1ccsc1 240690a_100000186416_100015343762 [0,1,0,0,1,0|1,0,0]=3 2697 B10R1.66 CC(=O)NCc1ccsc1 527a_100000186416_100103153847 [0,1,0,0,1,0|1,0,0]=3 2698 B10R1.66 CC(=O)NCc1cn[nH]c1 11a_100000737208_100015343762 [0,1,0,0,1,0|2,0,0]=4 2699 B10R1.66 CC(=O)NCc1cn[nH]c1 240690a_100000737208_100015343762 [0,1,0,0,1,0|2,0,0]=4 2700 B10R1.66 CC(=O)NCc1cnco1 11a_100020634212_100015343762 [0,1,0,0,1,0|2,0,0]=4 2701 B10R1.66 CC(=O)NCc1cnco1 240690a_100020634212_100015343762 [0,1,0,0,1,0|2,0,0]=4 2702 B10R1.66 CC(=O)NCc1cnco1 527a_100020634212_100103153847 [0,1,0,0,1,0|2,0,0]=4 2703 B10R1.66 CC(=O)NCc1cncs1 11a_100016987365_100015343762 [0,1,0,0,1,0|2,0,0]=4 2704 B10R1.66 CC(=O)NCc1cncs1 240690a_100016987365_100015343762 [0,1,0,0,1,0|2,0,0]=4 2705 B10R1.66 CC(=O)NCc1cncs1 527a_100016987365_100103153847 [0,1,0,0,1,0|2,0,0]=4 2706 B10R1.66 CC(=O)NCc1cnoc1 11a_100016995009_100015343762 [0,1,0,0,1,0|2,0,0]=4 2707 B10R1.66 CC(=O)NCc1cnoc1 240690a_100016995009_100015343762 [0,1,0,0,1,0|2,0,0]=4 2708 B10R1.66 CC(=O)NCc1cocn1 11a_100015188801_100015343762 [0,1,0,0,1,0|2,0,0]=4 2709 B10R1.66 CC(=O)NCc1cocn1 240690a_100015188801_100015343762 [0,1,0,0,1,0|2,0,0]=4 2710 B10R1.66 CC(=O)NCc1cocn1 527a_100015188801_100103153847 [0,1,0,0,1,0|2,0,0]=4 2711 B10R1.66 CC(=O)NCc1cscn1 11a_100015185402_100015343762 [0,1,0,0,1,0|2,0,0]=4 2712 B10R1.66 CC(=O)NCc1cscn1 1626a_100015185402_100015343762 [0,1,0,0,1,0|2,0,0]=4 2713 B10R1.66 CC(=O)NCc1cscn1 240690a_100015185402_100015343762 [0,1,0,0,1,0|2,0,0]=4 2714 B10R1.66 CC(=O)NCc1cscn1 527a_100015185402_100103153847 [0,1,0,0,1,0|2,0,0]=4 2715 B10R1.66 CC(=O)NCc1ncc[nH]1 11a_100000754540_100015343762 [0,1,0,0,1,0|2,0,0]=4 2716 B10R1.66 CC(=O)NCc1ncc[nH]1 240690a_100000754540_100015343762 [0,1,0,0,1,0|2,0,0]=4 2717 B10R1.66 CC(=O)NCc1ncc[nH]1 527a_100000754540_100103153847 [0,1,0,0,1,0|2,0,0]=4 2718 B10R1.66 CC(=O)NCc1ncco1 11a_100016994969_100015343762 [0,1,0,0,1,0|2,0,0]=4 2719 B10R1.66 CC(=O)NCc1ncco1 1626a_100016994969_100015343762 [0,1,0,0,1,0|2,0,0]=4 2720 B10R1.66 CC(=O)NCc1ncco1 240690a_100016994969_100015343762 [0,1,0,0,1,0|2,0,0]=4 2721 B10R1.66 CC(=O)NCc1ncco1 527a_100016994969_100103153847 [0,1,0,0,1,0|2,0,0]=4 2722 B10R1.66 CC(=O)NCc1nccs1 11a_100000740555_100015343762 [0,1,0,0,1,0|2,0,0]=4 2723 B10R1.66 CC(=O)NCc1nccs1 1626a_100000740555_100015343762 [0,1,0,0,1,0|2,0,0]=4 2724 B10R1.66 CC(=O)NCc1nccs1 240690a_100000740555_100015343762 [0,1,0,0,1,0|2,0,0]=4 2725 B10R1.66 CC(=O)NCc1nccs1 527a_100000740555_100103153847 [0,1,0,0,1,0|2,0,0]=4 2726 B10R1.66 [13CH3]C(=O)CCc1cc[nH]c1 1458a_200000093579_200025704644 [0,1,0,0,1,0|2,0,0]=4 2727 B10R1.66 [13CH3]C(=O)CCc1ccc[nH]1 1458a_200011998680_200025704644 [0,1,0,0,1,0|2,0,0]=4 2728 B10R1.66 [13CH3]C(=O)CCc1ccco1 1458a_100000185103_200025704644 [0,1,0,0,1,0|2,0,0]=4 2729 B10R1.66 [13CH3]C(=O)CCc1cccs1 1458a_100000185280_200025704644 [0,1,0,0,1,0|2,0,0]=4 2730 B10R1.66 [13CH3]C(=O)CCc1ccsc1 1458a_100000195497_200025704644 [0,1,0,0,1,0|2,0,0]=4 2731 B10R1.66 [13CH3]C(=O)CCn1cccc1 1458a_100011196273_200025704644 [0,1,0,0,1,0|2,0,0]=4 2732 B12R1.18 O=CCOc1cccccc1=O 34a_100000036025_200009817547 [0,1,0,0,0,1|2,0,0]=4 2733 B12R1.18 O=CCOc1cccccc1=O 7a_100000036025_200015260668 [0,1,0,0,0,1|2,0,0]=4 2734 B12R1.1 C#CCNCc1ccc(cc1)Br 2230a_100000174875_100000038162 [0,2,0,0,0,0|1,0,1]=4 2735 B12R1.1 C#CCNCc1ccc(cc1)Br 34a_100000174875_100000184674 [0,2,0,0,0,0|1,0,1]=4 2736 B12R1.1 C#CCNCc1ccc(cc1)Br 34a_100000212058_100000189115 [0,2,0,0,0,0|1,0,1]=4 2737 B12R1.1 C#CCNCc1ccc(cc1)C 2230a_100000174908_100000038162 [0,2,0,0,0,0|1,0,1]=4 2738 B12R1.1 C#CCNCc1ccc(cc1)C 34a_100000174908_100000184674 [0,2,0,0,0,0|1,0,1]=4 2739 B12R1.1 C#CCNCc1ccc(cc1)C 34a_100000212058_100000210814 [0,2,0,0,0,0|1,0,1]=4 2740 B12R1.1 C#CCNCc1ccc(cc1)Cl 2230a_100000174871_100000038162 [0,2,0,0,0,0|1,0,1]=4 2741 B12R1.1 C#CCNCc1ccc(cc1)Cl 34a_100000174871_100000184674 [0,2,0,0,0,0|1,0,1]=4 2742 B12R1.1 C#CCNCc1ccc(cc1)Cl 34a_100000212058_100000694040 [0,2,0,0,0,0|1,0,1]=4 2743 B12R1.1 C#CCNCc1ccc(cc1)F 2230a_100000174882_100000038162 [0,2,0,0,0,0|1,0,1]=4 2744 B12R1.1 C#CCNCc1ccc(cc1)F 34a_100000174882_100000184674 [0,2,0,0,0,0|1,0,1]=4 2745 B12R1.1 C#CCNCc1ccc(cc1)F 34a_100000212058_100000198546 [0,2,0,0,0,0|1,0,1]=4 2746 B12R1.1 C#CCNCc1ccc(cc1)I 2230a_100016989417_100000038162 [0,2,0,0,0,0|1,0,1]=4 2747 B12R1.1 C#CCNCc1ccc(cc1)I 34a_100000212058_100000189116 [0,2,0,0,0,0|1,0,1]=4 2748 B12R1.1 C#CCNCc1ccc(cc1)I 34a_100016989417_100000184674 [0,2,0,0,0,0|1,0,1]=4 2749 B12R1.1 C#CCNCc1ccc(cc1)O 34a_100000185549_100000184674 [0,2,0,0,0,0|1,0,1]=4 2750 B12R1.1 C/C=C/CNc1ccc(cc1)Br 34a_100000210018_100102629194 [0,2,0,0,0,0|2,0,0]=4 2751 B12R1.1 C/C=C/CNc1ccc(cc1)C 34a_100000124888_100102629194 [0,2,0,0,0,0|2,0,0]=4 2752 B12R1.1 C/C=C/CNc1ccc(cc1)Cl 34a_100000210052_100102629194 [0,2,0,0,0,0|2,0,0]=4 2753 B12R1.1 C/C=C/CNc1ccc(cc1)F 34a_100000185862_100102629194 [0,2,0,0,0,0|2,0,0]=4 2754 B12R1.1 C/C=C/CNc1ccc(cc1)I 34a_100000185761_100102629194 [0,2,0,0,0,0|2,0,0]=4 2755 B12R1.1 C/C=C/CNc1ccc(cc1)O 34a_100000185829_100102629194 [0,2,0,0,0,0|2,0,0]=4 2756 B12R1.1 C/C=C/COc1ccc(cc1)Br 34a_100000185759_100102629194 [0,2,0,0,0,0|2,0,0]=4 2757 B12R1.1 C/C=C/COc1ccc(cc1)Br 7a_100000185759_100102629194 [0,2,0,0,0,0|2,0,0]=4 2758 B12R1.1 C/C=C/COc1ccc(cc1)C 34a_100000210336_100102629194 [0,2,0,0,0,0|2,0,0]=4 2759 B12R1.1 C/C=C/COc1ccc(cc1)C 7a_100000210336_100102629194 [0,2,0,0,0,0|2,0,0]=4 2760 B12R1.1 C/C=C/COc1ccc(cc1)Cl 34a_100000210216_100102629194 [0,2,0,0,0,0|2,0,0]=4 2761 B12R1.1 C/C=C/COc1ccc(cc1)Cl 7a_100000210216_100102629194 [0,2,0,0,0,0|2,0,0]=4 2762 B12R1.1 C/C=C/COc1ccc(cc1)F 34a_100000210339_100102629194 [0,2,0,0,0,0|2,0,0]=4 2763 B12R1.1 C/C=C/COc1ccc(cc1)I 34a_100000212066_100102629194 [0,2,0,0,0,0|2,0,0]=4 2764 B12R1.1 C/C=C/COc1ccc(cc1)I 7a_100000212066_100102629194 [0,2,0,0,0,0|2,0,0]=4 2765 B12R1.1 C/C=C/COc1ccc(cc1)N 34a_100000185829_100102629194 [0,2,0,0,0,0|2,0,0]=4 2766 B12R1.1 C/C=C/CSc1ccc(cc1)Br 62a_100000752885_100102629194 [0,2,0,0,0,0|2,0,0]=4 2767 B12R1.1 C/C=C/CSc1ccc(cc1)Br 62a_100102629194_100000752885 [0,2,0,0,0,0|2,0,0]=4 2768 B12R1.1 C/C=C/CSc1ccc(cc1)C 62a_100000186775_100102629194 [0,2,0,0,0,0|2,0,0]=4 2769 B12R1.1 C/C=C/CSc1ccc(cc1)C 62a_100102629194_100000186775 [0,2,0,0,0,0|2,0,0]=4 2770 B12R1.1 C/C=C/CSc1ccc(cc1)Cl 62a_100000755918_100102629194 [0,2,0,0,0,0|2,0,0]=4 2771 B12R1.1 C/C=C/CSc1ccc(cc1)Cl 62a_100102629194_100000755918 [0,2,0,0,0,0|2,0,0]=4 2772 B12R1.1 C/C=C/CSc1ccc(cc1)F 62a_100000211213_100102629194 [0,2,0,0,0,0|2,0,0]=4 2773 B12R1.1 C/C=C/CSc1ccc(cc1)F 62a_100102629194_100000211213 [0,2,0,0,0,0|2,0,0]=4 2774 B12R1.1 C/C=C/CSc1ccc(cc1)N 62a_100000185761_100102629194 [0,2,0,0,0,0|2,0,0]=4 2775 B12R1.1 C/C=C/CSc1ccc(cc1)N 62a_100102629194_100000185761 [0,2,0,0,0,0|2,0,0]=4 2776 B12R1.1 C/C=C/CSc1ccc(cc1)O 62a_100102629194_100000185759 [0,2,0,0,0,0|2,0,0]=4 2777 B12R1.1 C=CCCNc1ccc(cc1)Br 2230a_100000210018_100000754431 [0,2,0,0,0,0|2,0,0]=4 2778 B12R1.1 C=CCCNc1ccc(cc1)Br 34a_100000210018_100000754431 [0,2,0,0,0,0|2,0,0]=4 2779 B12R1.1 C=CCCNc1ccc(cc1)C 34a_100000124888_100000754431 [0,2,0,0,0,0|2,0,0]=4 2780 B12R1.1 C=CCCNc1ccc(cc1)Cl 2230a_100000210052_100000754431 [0,2,0,0,0,0|2,0,0]=4 2781 B12R1.1 C=CCCNc1ccc(cc1)Cl 34a_100000210052_100000754431 [0,2,0,0,0,0|2,0,0]=4 2782 B12R1.1 C=CCCNc1ccc(cc1)F 34a_100000185862_100000754431 [0,2,0,0,0,0|2,0,0]=4 2783 B12R1.1 C=CCCNc1ccc(cc1)I 34a_100000185761_100000754431 [0,2,0,0,0,0|2,0,0]=4 2784 B12R1.1 C=CCCNc1ccc(cc1)O 34a_100000185829_100000754431 [0,2,0,0,0,0|2,0,0]=4 2785 B12R1.1 C=CCCOc1ccc(cc1)Br 34a_100000185759_100000754431 [0,2,0,0,0,0|2,0,0]=4 2786 B12R1.1 C=CCCOc1ccc(cc1)Br 7a_100000185759_100000754431 [0,2,0,0,0,0|2,0,0]=4 2787 B12R1.1 C=CCCOc1ccc(cc1)C 34a_100000210336_100000754431 [0,2,0,0,0,0|2,0,0]=4 2788 B12R1.1 C=CCCOc1ccc(cc1)C 7a_100000210336_100000754431 [0,2,0,0,0,0|2,0,0]=4 2789 B12R1.1 C=CCCOc1ccc(cc1)Cl 34a_100000210216_100000754431 [0,2,0,0,0,0|2,0,0]=4 2790 B12R1.1 C=CCCOc1ccc(cc1)Cl 7a_100000210216_100000754431 [0,2,0,0,0,0|2,0,0]=4 2791 B12R1.1 C=CCCOc1ccc(cc1)F 34a_100000210339_100000754431 [0,2,0,0,0,0|2,0,0]=4 2792 B12R1.1 C=CCCOc1ccc(cc1)I 34a_100000212066_100000754431 [0,2,0,0,0,0|2,0,0]=4 2793 B12R1.1 C=CCCOc1ccc(cc1)I 7a_100000212066_100000754431 [0,2,0,0,0,0|2,0,0]=4 2794 B12R1.1 C=CCCOc1ccc(cc1)N 34a_100000185829_100000754431 [0,2,0,0,0,0|2,0,0]=4 2795 B12R1.1 C=CCCOc1ccc(cc1)O 271570a_203496583355_100012049633 [0,2,0,0,0,0|2,0,0]=4 2796 B12R1.1 C=CCCSc1ccc(cc1)Br 62a_100000752885_100000754431 [0,2,0,0,0,0|2,0,0]=4 2797 B12R1.1 C=CCCSc1ccc(cc1)Br 62a_100000754431_100000752885 [0,2,0,0,0,0|2,0,0]=4 2798 B12R1.1 C=CCCSc1ccc(cc1)C 62a_100000186775_100000754431 [0,2,0,0,0,0|2,0,0]=4 2799 B12R1.1 C=CCCSc1ccc(cc1)C 62a_100000754431_100000186775 [0,2,0,0,0,0|2,0,0]=4 2800 B12R1.1 C=CCCSc1ccc(cc1)Cl 62a_100000754431_100000755918 [0,2,0,0,0,0|2,0,0]=4 2801 B12R1.1 C=CCCSc1ccc(cc1)Cl 62a_100000755918_100000754431 [0,2,0,0,0,0|2,0,0]=4 2802 B12R1.1 C=CCCSc1ccc(cc1)F 62a_100000211213_100000754431 [0,2,0,0,0,0|2,0,0]=4 2803 B12R1.1 C=CCCSc1ccc(cc1)F 62a_100000754431_100000211213 [0,2,0,0,0,0|2,0,0]=4 2804 B12R1.1 C=CCCSc1ccc(cc1)N 62a_100000185761_100000754431 [0,2,0,0,0,0|2,0,0]=4 2805 B12R1.1 C=CCCSc1ccc(cc1)N 62a_100000754431_100000185761 [0,2,0,0,0,0|2,0,0]=4 2806 B12R1.1 C=CCCSc1ccc(cc1)O 62a_100000754431_100000185759 [0,2,0,0,0,0|2,0,0]=4 2807 B12R1.1 C=CCNCc1ccc(cc1)Br 2230a_100000174875_100000210623 [0,2,0,0,0,0|1,0,0]=3 2808 B12R1.1 C=CCNCc1ccc(cc1)Br 2230a_100020586998_100011217064 [0,2,0,0,0,0|1,0,0]=3 2809 B12R1.1 C=CCNCc1ccc(cc1)Br 270004a_100020586998_100000186029 [0,2,0,0,0,0|1,0,0]=3 2810 B12R1.1 C=CCNCc1ccc(cc1)Br 34a_100000174875_100015514636 [0,2,0,0,0,0|1,0,0]=3 2811 B12R1.1 C=CCNCc1ccc(cc1)C 2230a_100000174908_100000210623 [0,2,0,0,0,0|1,0,0]=3 2812 B12R1.1 C=CCNCc1ccc(cc1)C 2230a_100020586998_100000210814 [0,2,0,0,0,0|1,0,0]=3 2813 B12R1.1 C=CCNCc1ccc(cc1)C 270004a_100020586998_100000211033 [0,2,0,0,0,0|1,0,0]=3 2814 B12R1.1 C=CCNCc1ccc(cc1)C 34a_100000174908_100015514636 [0,2,0,0,0,0|1,0,0]=3 2815 B12R1.1 C=CCNCc1ccc(cc1)Cl 2230a_100000174871_100000210623 [0,2,0,0,0,0|1,0,0]=3 2816 B12R1.1 C=CCNCc1ccc(cc1)Cl 2230a_100020586998_100000694040 [0,2,0,0,0,0|1,0,0]=3 2817 B12R1.1 C=CCNCc1ccc(cc1)Cl 270004a_100020586998_100000189385 [0,2,0,0,0,0|1,0,0]=3 2818 B12R1.1 C=CCNCc1ccc(cc1)Cl 34a_100000174871_100015514636 [0,2,0,0,0,0|1,0,0]=3 2819 B12R1.1 C=CCNCc1ccc(cc1)F 2230a_100000174882_100000210623 [0,2,0,0,0,0|1,0,0]=3 2820 B12R1.1 C=CCNCc1ccc(cc1)F 2230a_100020586998_100000198546 [0,2,0,0,0,0|1,0,0]=3 2821 B12R1.1 C=CCNCc1ccc(cc1)F 270004a_100020586998_100000210084 [0,2,0,0,0,0|1,0,0]=3 2822 B12R1.1 C=CCNCc1ccc(cc1)F 34a_100000174882_100015514636 [0,2,0,0,0,0|1,0,0]=3 2823 B12R1.1 C=CCNCc1ccc(cc1)I 2230a_100016989417_100000210623 [0,2,0,0,0,0|1,0,0]=3 2824 B12R1.1 C=CCNCc1ccc(cc1)I 2230a_100020586998_100000189116 [0,2,0,0,0,0|1,0,0]=3 2825 B12R1.1 C=CCNCc1ccc(cc1)I 34a_100016989417_100015514636 [0,2,0,0,0,0|1,0,0]=3 2826 B12R1.1 C=CCNCc1ccc(cc1)O 34a_100000185549_100015514636 [0,2,0,0,0,0|1,0,0]=3 2827 B12R1.1 C=CCNCc1ccc(cn1)Br 2230a_100020586998_100000702658 [0,2,0,0,0,0|2,0,0]=4 2828 B12R1.1 C=CCNCc1ccc(cn1)Br 270004a_100020586998_100000754260 [0,2,0,0,0,0|2,0,0]=4 2829 B12R1.1 C=CCNCc1ccc(cn1)Br 34a_100015188789_100015514636 [0,2,0,0,0,0|2,0,0]=4 2830 B12R1.1 C=CCNCc1ccc(cn1)C 2230a_100020586998_100000691093 [0,2,0,0,0,0|2,0,0]=4 2831 B12R1.1 C=CCNCc1ccc(cn1)C 270004a_100020586998_100000050478 [0,2,0,0,0,0|2,0,0]=4 2832 B12R1.1 C=CCNCc1ccc(cn1)C 34a_100015187455_100015514636 [0,2,0,0,0,0|2,0,0]=4 2833 B12R1.1 C=CCNCc1ccc(cn1)Cl 2230a_100020586998_100012066911 [0,2,0,0,0,0|2,0,0]=4 2834 B12R1.1 C=CCNCc1ccc(cn1)Cl 270004a_100020586998_100011361569 [0,2,0,0,0,0|2,0,0]=4 2835 B12R1.1 C=CCNCc1ccc(cn1)Cl 34a_100000697193_100015514636 [0,2,0,0,0,0|2,0,0]=4 2836 B12R1.1 C=CCNCc1ccc(cn1)F 2230a_100020586998_100000703193 [0,2,0,0,0,0|2,0,0]=4 2837 B12R1.1 C=CCNCc1ccc(cn1)F 270004a_100020586998_100011934744 [0,2,0,0,0,0|2,0,0]=4 2838 B12R1.1 C=CCNCc1ccc(cn1)F 34a_100020620131_100015514636 [0,2,0,0,0,0|2,0,0]=4 2839 B12R1.1 C=CCNCc1ccc(nc1)Br 2230a_100009817727_100000210623 [0,2,0,0,0,0|2,0,0]=4 2840 B12R1.1 C=CCNCc1ccc(nc1)Br 2230a_100020586998_100009831999 [0,2,0,0,0,0|2,0,0]=4 2841 B12R1.1 C=CCNCc1ccc(nc1)Br 34a_100009817727_100015514636 [0,2,0,0,0,0|2,0,0]=4 2842 B12R1.1 C=CCNCc1ccc(nc1)C 2230a_100020586998_100016987292 [0,2,0,0,0,0|2,0,0]=4 2843 B12R1.1 C=CCNCc1ccc(nc1)C 270004a_100020586998_100000743784 [0,2,0,0,0,0|2,0,0]=4 2844 B12R1.1 C=CCNCc1ccc(nc1)C 34a_100000740942_100015514636 [0,2,0,0,0,0|2,0,0]=4 2845 B12R1.1 C=CCNCc1ccc(nc1)Cl 2230a_100000735879_100000210623 [0,2,0,0,0,0|2,0,0]=4 2846 B12R1.1 C=CCNCc1ccc(nc1)Cl 2230a_100020586998_100000735431 [0,2,0,0,0,0|2,0,0]=4 2847 B12R1.1 C=CCNCc1ccc(nc1)Cl 34a_100000735879_100015514636 [0,2,0,0,0,0|2,0,0]=4 2848 B12R1.1 C=CCNCc1ccc(nc1)F 2230a_100000101913_100000210623 [0,2,0,0,0,0|2,0,0]=4 2849 B12R1.1 C=CCNCc1ccc(nc1)F 2230a_100020586998_100009820150 [0,2,0,0,0,0|2,0,0]=4 2850 B12R1.1 C=CCNCc1ccc(nc1)F 34a_100000101913_100015514636 [0,2,0,0,0,0|2,0,0]=4 2851 B12R1.1 C=CCNCc1ccc(nc1)O 2230a_100000757128_100000210623 [0,2,0,0,0,0|2,0,0]=4 2852 B12R1.1 C=CCOCc1ccc(cc1)Br 34a_100000695286_100015514636 [0,2,0,0,0,0|2,0,0]=4 2853 B12R1.1 C=CCOCc1ccc(cc1)Br 34a_200000210373_100000189115 [0,2,0,0,0,0|2,0,0]=4 2854 B12R1.1 C=CCOCc1ccc(cc1)C 34a_100011215236_100015514636 [0,2,0,0,0,0|2,0,0]=4 2855 B12R1.1 C=CCOCc1ccc(cc1)C 34a_200000210373_100000210814 [0,2,0,0,0,0|2,0,0]=4 2856 B12R1.1 C=CCOCc1ccc(cc1)C 7a_100011215236_100015514636 [0,2,0,0,0,0|2,0,0]=4 2857 B12R1.1 C=CCOCc1ccc(cc1)Cl 34a_100000211118_100015514636 [0,2,0,0,0,0|2,0,0]=4 2858 B12R1.1 C=CCOCc1ccc(cc1)Cl 34a_200000210373_100000694040 [0,2,0,0,0,0|2,0,0]=4 2859 B12R1.1 C=CCOCc1ccc(cc1)Cl 7a_100000211118_100015514636 [0,2,0,0,0,0|2,0,0]=4 2860 B12R1.1 C=CCOCc1ccc(cc1)F 34a_100000210977_100015514636 [0,2,0,0,0,0|2,0,0]=4 2861 B12R1.1 C=CCOCc1ccc(cc1)F 34a_200000210373_100000198546 [0,2,0,0,0,0|2,0,0]=4 2862 B12R1.1 C=CCOCc1ccc(cc1)F 7a_100000210977_100015514636 [0,2,0,0,0,0|2,0,0]=4 2863 B12R1.1 C=CCOCc1ccc(cc1)I 34a_100000690907_100015514636 [0,2,0,0,0,0|2,0,0]=4 2864 B12R1.1 C=CCOCc1ccc(cc1)I 34a_200000210373_100000189116 [0,2,0,0,0,0|2,0,0]=4 2865 B12R1.1 C=CCOCc1ccc(cc1)I 7a_100000690907_100015514636 [0,2,0,0,0,0|2,0,0]=4 2866 B12R1.1 C=CCOCc1ccc(cc1)N 34a_100011215238_100015514636 [0,2,0,0,0,0|2,0,0]=4 2867 B12R1.1 C=CCSCc1ccc(cc1)Br 62a_100000189115_100000210623 [0,2,0,0,0,0|2,0,0]=4 2868 B12R1.1 C=CCSCc1ccc(cc1)Br 62a_100000210623_100000189115 [0,2,0,0,0,0|2,0,0]=4 2869 B12R1.1 C=CCSCc1ccc(cc1)C 62a_100000210623_100000210814 [0,2,0,0,0,0|2,0,0]=4 2870 B12R1.1 C=CCSCc1ccc(cc1)C 62a_100000210814_100000210623 [0,2,0,0,0,0|2,0,0]=4 2871 B12R1.1 C=CCSCc1ccc(cc1)Cl 62a_100000187161_100000210623 [0,2,0,0,0,0|2,0,0]=4 2872 B12R1.1 C=CCSCc1ccc(cc1)Cl 62a_100000210623_100000187161 [0,2,0,0,0,0|2,0,0]=4 2873 B12R1.1 C=CCSCc1ccc(cc1)F 62a_100000198546_100000210623 [0,2,0,0,0,0|2,0,0]=4 2874 B12R1.1 C=CCSCc1ccc(cc1)F 62a_100000210623_100000187164 [0,2,0,0,0,0|2,0,0]=4 2875 B12R1.1 C=CCSCc1ccc(cc1)I 62a_100000189116_100000210623 [0,2,0,0,0,0|2,0,0]=4 2876 B12R1.1 C=CCSCc1ccc(cc1)I 62a_100000210623_100000189116 [0,2,0,0,0,0|2,0,0]=4 2877 B12R1.1 CC=CCNc1ccc(cc1)Br 2230a_100000210018_100000070051 [0,2,0,0,0,0|2,0,0]=4 2878 B12R1.1 CC=CCNc1ccc(cc1)Br 34a_100000210018_100000070051 [0,2,0,0,0,0|2,0,0]=4 2879 B12R1.1 CC=CCNc1ccc(cc1)C 34a_100000124888_100000070051 [0,2,0,0,0,0|2,0,0]=4 2880 B12R1.1 CC=CCNc1ccc(cc1)Cl 2230a_100000210052_100000070051 [0,2,0,0,0,0|2,0,0]=4 2881 B12R1.1 CC=CCNc1ccc(cc1)Cl 34a_100000210052_100000070051 [0,2,0,0,0,0|2,0,0]=4 2882 B12R1.1 CC=CCNc1ccc(cc1)F 34a_100000185862_100000070051 [0,2,0,0,0,0|2,0,0]=4 2883 B12R1.1 CC=CCNc1ccc(cc1)I 34a_100000185761_100000070051 [0,2,0,0,0,0|2,0,0]=4 2884 B12R1.1 CC=CCNc1ccc(cc1)O 34a_100000185829_100000070051 [0,2,0,0,0,0|2,0,0]=4 2885 B12R1.1 CC=CCOc1ccc(cc1)Br 34a_100000185759_100000070051 [0,2,0,0,0,0|2,0,0]=4 2886 B12R1.1 CC=CCOc1ccc(cc1)Br 7a_100000185759_100000070051 [0,2,0,0,0,0|2,0,0]=4 2887 B12R1.1 CC=CCOc1ccc(cc1)C 34a_100000210336_100000070051 [0,2,0,0,0,0|2,0,0]=4 2888 B12R1.1 CC=CCOc1ccc(cc1)C 7a_100000210336_100000070051 [0,2,0,0,0,0|2,0,0]=4 2889 B12R1.1 CC=CCOc1ccc(cc1)Cl 34a_100000210216_100000070051 [0,2,0,0,0,0|2,0,0]=4 2890 B12R1.1 CC=CCOc1ccc(cc1)Cl 7a_100000210216_100000070051 [0,2,0,0,0,0|2,0,0]=4 2891 B12R1.1 CC=CCOc1ccc(cc1)F 34a_100000210339_100000070051 [0,2,0,0,0,0|2,0,0]=4 2892 B12R1.1 CC=CCOc1ccc(cc1)I 34a_100000212066_100000070051 [0,2,0,0,0,0|2,0,0]=4 2893 B12R1.1 CC=CCOc1ccc(cc1)I 7a_100000212066_100000070051 [0,2,0,0,0,0|2,0,0]=4 2894 B12R1.1 CC=CCOc1ccc(cc1)N 34a_100000185829_100000070051 [0,2,0,0,0,0|2,0,0]=4 2895 B12R1.1 CC=CCSc1ccc(cc1)Br 62a_100000070051_100000752885 [0,2,0,0,0,0|2,0,0]=4 2896 B12R1.1 CC=CCSc1ccc(cc1)Br 62a_100000752885_100000070051 [0,2,0,0,0,0|2,0,0]=4 2897 B12R1.1 CC=CCSc1ccc(cc1)C 62a_100000070051_100000186775 [0,2,0,0,0,0|2,0,0]=4 2898 B12R1.1 CC=CCSc1ccc(cc1)C 62a_100000186775_100000070051 [0,2,0,0,0,0|2,0,0]=4 2899 B12R1.1 CC=CCSc1ccc(cc1)Cl 62a_100000070051_100000755918 [0,2,0,0,0,0|2,0,0]=4 2900 B12R1.1 CC=CCSc1ccc(cc1)Cl 62a_100000755918_100000070051 [0,2,0,0,0,0|2,0,0]=4 2901 B12R1.1 CC=CCSc1ccc(cc1)F 62a_100000070051_100000211213 [0,2,0,0,0,0|2,0,0]=4 2902 B12R1.1 CC=CCSc1ccc(cc1)F 62a_100000211213_100000070051 [0,2,0,0,0,0|2,0,0]=4 2903 B12R1.1 CC=CCSc1ccc(cc1)N 62a_100000070051_100000185761 [0,2,0,0,0,0|2,0,0]=4 2904 B12R1.1 CC=CCSc1ccc(cc1)N 62a_100000185761_100000070051 [0,2,0,0,0,0|2,0,0]=4 2905 B12R1.1 CC=CCSc1ccc(cc1)O 62a_100000070051_100000185759 [0,2,0,0,0,0|2,0,0]=4 2906 B12R1.1 CC=NNCc1ccc(cc1)Br 4a_100016993955_200000210099 [0,2,0,0,0,0|1,0,0]=3 2907 B12R1.1 CC=NNCc1ccc(cc1)C 4a_100011197965_200000210099 [0,2,0,0,0,0|1,0,0]=3 2908 B12R1.1 CC=NNCc1ccc(cc1)Cl 4a_100000689899_200000210099 [0,2,0,0,0,0|1,0,0]=3 2909 B12R1.1 CC=NNCc1ccc(cc1)F 4a_100000689900_200000210099 [0,2,0,0,0,0|1,0,0]=3 2910 B12R1.1 CC=NNCc1ccc(cc1)I 4a_102495363730_200000210099 [0,2,0,0,0,0|1,0,0]=3 2911 B12R1.1 CCCNCc1ccc(cc1)Br 207a_100020643023_100000186029 [0,2,0,0,0,0|1,0,1]=4 2912 B12R1.1 CCCNCc1ccc(cc1)Br 2230a_100000174875_100000210303 [0,2,0,0,0,0|1,0,1]=4 2913 B12R1.1 CCCNCc1ccc(cc1)Br 270004a_100020643023_100000186029 [0,2,0,0,0,0|1,0,1]=4 2914 B12R1.1 CCCNCc1ccc(cc1)Br 34a_100000174875_100000210303 [0,2,0,0,0,0|1,0,1]=4 2915 B12R1.1 CCCNCc1ccc(cc1)C 207a_100020643023_100000211033 [0,2,0,0,0,0|1,0,1]=4 2916 B12R1.1 CCCNCc1ccc(cc1)C 2230a_100000174908_100000210303 [0,2,0,0,0,0|1,0,1]=4 2917 B12R1.1 CCCNCc1ccc(cc1)C 270004a_100020643023_100000211033 [0,2,0,0,0,0|1,0,1]=4 2918 B12R1.1 CCCNCc1ccc(cc1)C 34a_100000174908_100000210303 [0,2,0,0,0,0|1,0,1]=4 2919 B12R1.1 CCCNCc1ccc(cc1)Cl 207a_100020643023_100000189385 [0,2,0,0,0,0|1,0,1]=4 2920 B12R1.1 CCCNCc1ccc(cc1)Cl 2230a_100000174871_100000210303 [0,2,0,0,0,0|1,0,1]=4 2921 B12R1.1 CCCNCc1ccc(cc1)Cl 270004a_100020643023_100000189385 [0,2,0,0,0,0|1,0,1]=4 2922 B12R1.1 CCCNCc1ccc(cc1)Cl 34a_100000174871_100000210303 [0,2,0,0,0,0|1,0,1]=4 2923 B12R1.1 CCCNCc1ccc(cc1)F 207a_100020643023_100000210084 [0,2,0,0,0,0|1,0,1]=4 2924 B12R1.1 CCCNCc1ccc(cc1)F 2230a_100000174882_100000210303 [0,2,0,0,0,0|1,0,1]=4 2925 B12R1.1 CCCNCc1ccc(cc1)F 270004a_100020643023_100000210084 [0,2,0,0,0,0|1,0,1]=4 2926 B12R1.1 CCCNCc1ccc(cc1)F 34a_100000174882_100000210303 [0,2,0,0,0,0|1,0,1]=4 2927 B12R1.1 CCCNCc1ccc(cc1)I 207a_100020643023_100000188517 [0,2,0,0,0,0|1,0,1]=4 2928 B12R1.1 CCCNCc1ccc(cc1)I 2230a_100016989417_100000210303 [0,2,0,0,0,0|1,0,1]=4 2929 B12R1.1 CCCNCc1ccc(cc1)I 34a_100016989417_100000210303 [0,2,0,0,0,0|1,0,1]=4 2930 B12R1.1 CCCNCc1ccc(cc1)O 34a_100000185549_100000210303 [0,2,0,0,0,0|1,0,1]=4 2931 B12R1.1 CCNCCc1ccc(cc1)Br 2230a_100000755846_100000210202 [0,2,0,0,0,0|1,0,1]=4 2932 B12R1.1 CCNCCc1ccc(cc1)Br 2230a_100015525214_100011740612 [0,2,0,0,0,0|1,0,1]=4 2933 B12R1.1 CCNCCc1ccc(cc1)Br 34a_100000755846_100000210202 [0,2,0,0,0,0|1,0,1]=4 2934 B12R1.1 CCNCCc1ccc(cc1)C 2230a_100000705350_100000210202 [0,2,0,0,0,0|1,0,1]=4 2935 B12R1.1 CCNCCc1ccc(cc1)C 2230a_100015525214_100011713686 [0,2,0,0,0,0|1,0,1]=4 2936 B12R1.1 CCNCCc1ccc(cc1)C 34a_100000705350_100000210202 [0,2,0,0,0,0|1,0,1]=4 2937 B12R1.1 CCNCCc1ccc(cc1)Cl 2230a_100000185265_100000210202 [0,2,0,0,0,0|1,0,1]=4 2938 B12R1.1 CCNCCc1ccc(cc1)Cl 2230a_100015525214_100011713675 [0,2,0,0,0,0|1,0,1]=4 2939 B12R1.1 CCNCCc1ccc(cc1)Cl 34a_100000185265_100000210202 [0,2,0,0,0,0|1,0,1]=4 2940 B12R1.1 CCNCCc1ccc(cc1)F 2230a_100000199005_100000210202 [0,2,0,0,0,0|1,0,1]=4 2941 B12R1.1 CCNCCc1ccc(cc1)F 2230a_100015525214_100011217392 [0,2,0,0,0,0|1,0,1]=4 2942 B12R1.1 CCNCCc1ccc(cc1)F 34a_100000199005_100000210202 [0,2,0,0,0,0|1,0,1]=4 2943 B12R1.1 CCNCCc1ccc(cc1)O 2230a_100015525214_100009816426 [0,2,0,0,0,0|1,0,1]=4 2944 B12R1.1 CCNCCc1ccc(cc1)O 34a_100000743037_100000210202 [0,2,0,0,0,0|1,0,1]=4 2945 B12R1.1 COCNCc1ccc(cc1)Br 2230a_100000174875_100000766300 [0,2,0,0,0,0|0,0,2]=4 2946 B12R1.1 COCNCc1ccc(cc1)C 2230a_100000174908_100000766300 [0,2,0,0,0,0|0,0,2]=4 2947 B12R1.1 COCNCc1ccc(cc1)Cl 2230a_100000174871_100000766300 [0,2,0,0,0,0|0,0,2]=4 2948 B12R1.1 COCNCc1ccc(cc1)F 2230a_100000174882_100000766300 [0,2,0,0,0,0|0,0,2]=4 2949 B12R1.1 COCNCc1ccc(cc1)I 2230a_100016989417_100000766300 [0,2,0,0,0,0|0,0,2]=4 2950 B12R1.1 CSCNCc1ccc(cc1)Br 2230a_100000174875_100011218213 [0,2,0,0,0,0|0,1,1]=4 2951 B12R1.1 CSCNCc1ccc(cc1)Br 34a_100000174875_100011218213 [0,2,0,0,0,0|0,1,1]=4 2952 B12R1.1 CSCNCc1ccc(cc1)C 2230a_100000174908_100011218213 [0,2,0,0,0,0|0,1,1]=4 2953 B12R1.1 CSCNCc1ccc(cc1)C 34a_100000174908_100011218213 [0,2,0,0,0,0|0,1,1]=4 2954 B12R1.1 CSCNCc1ccc(cc1)Cl 2230a_100000174871_100011218213 [0,2,0,0,0,0|0,1,1]=4 2955 B12R1.1 CSCNCc1ccc(cc1)Cl 34a_100000174871_100011218213 [0,2,0,0,0,0|0,1,1]=4 2956 B12R1.1 CSCNCc1ccc(cc1)F 2230a_100000174882_100011218213 [0,2,0,0,0,0|0,1,1]=4 2957 B12R1.1 CSCNCc1ccc(cc1)F 34a_100000174882_100011218213 [0,2,0,0,0,0|0,1,1]=4 2958 B12R1.1 CSCNCc1ccc(cc1)I 2230a_100016989417_100011218213 [0,2,0,0,0,0|0,1,1]=4 2959 B12R1.1 CSCNCc1ccc(cc1)I 34a_100016989417_100011218213 [0,2,0,0,0,0|0,1,1]=4 2960 B12R1.1 CSCNCc1ccc(cc1)O 34a_100000185549_100011218213 [0,2,0,0,0,0|0,1,1]=4 2961 B12R1.1 C[n+]1ccc(cc1)COCC=O 34a_100009831711_200009817547 [0,2,0,0,0,0|2,0,0]=4 2962 B12R1.1 Cc1ccc(cc1)CCNCF 34a_100000705350_100015361967 [0,2,0,0,0,0|1,0,1]=4 2963 B12R1.1 Cc1ccc(cc1)CNCC#N 2230a_100000174908_100011215382 [0,2,0,0,0,0|1,0,1]=4 2964 B12R1.1 Cc1ccc(cc1)CNCC=O 2230a_100000174908_200015260668 [0,2,0,0,0,0|0,0,0]=2 2965 B12R1.1 Cc1ccc(cc1)CNCC=O 34a_100000174908_200009817547 [0,2,0,0,0,0|0,0,0]=2 2966 B12R1.1 Cc1ccc(cc1)CNCCF 2230a_100000174908_100011217306 [0,2,0,0,0,0|1,0,1]=4 2967 B12R1.1 Cc1ccc(cc1)CNCCF 34a_100000174908_100011217306 [0,2,0,0,0,0|1,0,1]=4 2968 B12R1.1 Cc1ccc(cc1)CNCCF 34a_100000724931_100000210814 [0,2,0,0,0,0|1,0,1]=4 2969 B12R1.1 Cc1ccc(cc1)CNCCO 207a_100000210304_100000211033 [0,2,0,0,0,0|0,0,2]=4 2970 B12R1.1 Cc1ccc(cc1)CNCCO 2230a_100000174908_100000211926 [0,2,0,0,0,0|0,0,2]=4 2971 B12R1.1 Cc1ccc(cc1)CNCCO 2230a_100016997473_100000210814 [0,2,0,0,0,0|0,0,2]=4 2972 B12R1.1 Cc1ccc(cc1)CNCCO 270004a_100000210304_100000211033 [0,2,0,0,0,0|0,0,2]=4 2973 B12R1.1 Cc1ccc(cc1)CNCCO 34a_100000174908_100000211926 [0,2,0,0,0,0|0,0,2]=4 2974 B12R1.1 Cc1ccc(cc1)CNCCO 34a_100016990907_100000210814 [0,2,0,0,0,0|0,0,2]=4 2975 B12R1.1 Cc1ccc(cc1)COCC=O 34a_100011215236_200009817547 [0,2,0,0,0,0|1,0,0]=3 2976 B12R1.1 Cc1ccc(cc1)COCC=O 7a_100011215236_200015260668 [0,2,0,0,0,0|1,0,0]=3 2977 B12R1.1 Cc1ccc(cc1)CSCC=O 62a_100000210814_200015260668 [0,2,0,0,0,0|1,0,0]=3 2978 B12R1.1 Cc1ccc(cc1)CSCC=O 62a_200015260668_100000210814 [0,2,0,0,0,0|1,0,0]=3 2979 B12R1.1 Cc1ccc(cn1)CNCC=O 34a_100000740942_200009817547 [0,2,0,0,0,0|1,0,0]=3 2980 B12R1.1 Cc1ccc(cn1)COCC=O 34a_100011248133_200009817547 [0,2,0,0,0,0|2,0,0]=4 2981 B12R1.1 Cc1ccc(cn1)CSCC=O 62a_100016987292_200015260668 [0,2,0,0,0,0|2,0,0]=4 2982 B12R1.1 Cc1ccc(cn1)CSCC=O 62a_200015260668_100016987292 [0,2,0,0,0,0|2,0,0]=4 2983 B12R1.1 Cc1ccc(nc1)CNCC=O 34a_100015187455_200009817547 [0,2,0,0,0,0|1,0,0]=3 2984 B12R1.1 Cc1ccc(nc1)COCC=O 34a_100012001401_200009817547 [0,2,0,0,0,0|2,0,0]=4 2985 B12R1.1 Cc1ccc(nc1)CSCC=O 62a_100000691093_200015260668 [0,2,0,0,0,0|2,0,0]=4 2986 B12R1.1 Cc1ccc(nc1)CSCC=O 62a_200015260668_100000691093 [0,2,0,0,0,0|2,0,0]=4 2987 B12R1.1 Cc1cnc(cn1)CNCC=O 34a_100132314150_200009817547 [0,2,0,0,0,0|2,0,0]=4 2988 B12R1.1 FCCNCc1ccc(cc1)Br 2230a_100000174875_100011217306 [0,2,0,0,0,0|1,0,1]=4 2989 B12R1.1 FCCNCc1ccc(cc1)Br 34a_100000174875_100011217306 [0,2,0,0,0,0|1,0,1]=4 2990 B12R1.1 FCCNCc1ccc(cc1)Br 34a_100000724931_100000189115 [0,2,0,0,0,0|1,0,1]=4 2991 B12R1.1 FCCNCc1ccc(cc1)Cl 2230a_100000174871_100011217306 [0,2,0,0,0,0|1,0,1]=4 2992 B12R1.1 FCCNCc1ccc(cc1)Cl 34a_100000174871_100011217306 [0,2,0,0,0,0|1,0,1]=4 2993 B12R1.1 FCCNCc1ccc(cc1)Cl 34a_100000724931_100000694040 [0,2,0,0,0,0|1,0,1]=4 2994 B12R1.1 FCCNCc1ccc(cc1)F 2230a_100000174882_100011217306 [0,2,0,0,0,0|1,0,1]=4 2995 B12R1.1 FCCNCc1ccc(cc1)F 34a_100000174882_100011217306 [0,2,0,0,0,0|1,0,1]=4 2996 B12R1.1 FCCNCc1ccc(cc1)F 34a_100000724931_100000198546 [0,2,0,0,0,0|1,0,1]=4 2997 B12R1.1 FCCNCc1ccc(cc1)I 2230a_100016989417_100011217306 [0,2,0,0,0,0|1,0,1]=4 2998 B12R1.1 FCCNCc1ccc(cc1)I 34a_100000724931_100000189116 [0,2,0,0,0,0|1,0,1]=4 2999 B12R1.1 FCCNCc1ccc(cc1)I 34a_100016989417_100011217306 [0,2,0,0,0,0|1,0,1]=4 3000 B12R1.1 FCNCCc1ccc(cc1)Br 34a_100000755846_100015361967 [0,2,0,0,0,0|1,0,1]=4 3001 B12R1.1 FCNCCc1ccc(cc1)Cl 34a_100000185265_100015361967 [0,2,0,0,0,0|1,0,1]=4 3002 B12R1.1 FCNCCc1ccc(cc1)F 34a_100000199005_100015361967 [0,2,0,0,0,0|1,0,1]=4 3003 B12R1.1 N#CCNCc1ccc(cc1)Br 2230a_100000174875_100011215382 [0,2,0,0,0,0|1,0,1]=4 3004 B12R1.1 N#CCNCc1ccc(cc1)Cl 2230a_100000174871_100011215382 [0,2,0,0,0,0|1,0,1]=4 3005 B12R1.1 N#CCNCc1ccc(cc1)F 2230a_100000174882_100011215382 [0,2,0,0,0,0|1,0,1]=4 3006 B12R1.1 N#CCNCc1ccc(cc1)I 2230a_100016989417_100011215382 [0,2,0,0,0,0|1,0,1]=4 3007 B12R1.1 Nc1ccc(cc1)COCC=O 34a_100011215238_200009817547 [0,2,0,0,0,0|1,0,0]=3 3008 B12R1.1 Nc1ccc(cn1)COCC=O 34a_100000704267_200009817547 [0,2,0,0,0,0|2,0,0]=4 3009 B12R1.1 Nc1ccc(nc1)COCC=O 34a_100011998161_200009817547 [0,2,0,0,0,0|2,0,0]=4 3010 B12R1.1 O=CCNCc1ccc(cc1)Br 2230a_100000174875_200015260668 [0,2,0,0,0,0|0,0,0]=2 3011 B12R1.1 O=CCNCc1ccc(cc1)Br 34a_100000174875_200009817547 [0,2,0,0,0,0|0,0,0]=2 3012 B12R1.1 O=CCNCc1ccc(cc1)Cl 2230a_100000174871_200015260668 [0,2,0,0,0,0|0,0,0]=2 3013 B12R1.1 O=CCNCc1ccc(cc1)Cl 34a_100000174871_200009817547 [0,2,0,0,0,0|0,0,0]=2 3014 B12R1.1 O=CCNCc1ccc(cc1)F 2230a_100000174882_200015260668 [0,2,0,0,0,0|0,0,0]=2 3015 B12R1.1 O=CCNCc1ccc(cc1)F 34a_100000174882_200009817547 [0,2,0,0,0,0|0,0,0]=2 3016 B12R1.1 O=CCNCc1ccc(cc1)I 2230a_100016989417_200015260668 [0,2,0,0,0,0|0,0,0]=2 3017 B12R1.1 O=CCNCc1ccc(cc1)I 34a_100016989417_200009817547 [0,2,0,0,0,0|0,0,0]=2 3018 B12R1.1 O=CCNCc1ccc(cc1)O 34a_100000185549_200009817547 [0,2,0,0,0,0|0,0,0]=2 3019 B12R1.1 O=CCNCc1ccc(cn1)Br 34a_100015188789_200009817547 [0,2,0,0,0,0|1,0,0]=3 3020 B12R1.1 O=CCNCc1ccc(cn1)Cl 34a_100000697193_200009817547 [0,2,0,0,0,0|1,0,0]=3 3021 B12R1.1 O=CCNCc1ccc(cn1)F 34a_100020620131_200009817547 [0,2,0,0,0,0|1,0,0]=3 3022 B12R1.1 O=CCNCc1ccc(nc1)Br 2230a_100009817727_200015260668 [0,2,0,0,0,0|1,0,0]=3 3023 B12R1.1 O=CCNCc1ccc(nc1)Br 34a_100009817727_200009817547 [0,2,0,0,0,0|1,0,0]=3 3024 B12R1.1 O=CCNCc1ccc(nc1)Cl 2230a_100000735879_200015260668 [0,2,0,0,0,0|1,0,0]=3 3025 B12R1.1 O=CCNCc1ccc(nc1)Cl 34a_100000735879_200009817547 [0,2,0,0,0,0|1,0,0]=3 3026 B12R1.1 O=CCNCc1ccc(nc1)F 2230a_100000101913_200015260668 [0,2,0,0,0,0|1,0,0]=3 3027 B12R1.1 O=CCNCc1ccc(nc1)F 34a_100000101913_200009817547 [0,2,0,0,0,0|1,0,0]=3 3028 B12R1.1 O=CCNCc1ccc(nc1)O 2230a_100000757128_200015260668 [0,2,0,0,0,0|1,0,0]=3 3029 B12R1.1 O=CCOCc1cc[n+](cc1)[O-] 34a_100000031831_200009817547 [0,2,0,0,0,0|2,0,0]=4 3030 B12R1.1 O=CCOCc1cc[n+](cc1)[O-] 7a_100000031831_200015260668 [0,2,0,0,0,0|2,0,0]=4 3031 B12R1.1 O=CCOCc1ccc(=O)[nH]c1 34a_100011999846_200009817547 [0,2,0,0,0,0|2,0,0]=4 3032 B12R1.1 O=CCOCc1ccc(cc1)Br 34a_100000695286_200009817547 [0,2,0,0,0,0|1,0,0]=3 3033 B12R1.1 O=CCOCc1ccc(cc1)Cl 34a_100000211118_200009817547 [0,2,0,0,0,0|1,0,0]=3 3034 B12R1.1 O=CCOCc1ccc(cc1)Cl 7a_100000211118_200015260668 [0,2,0,0,0,0|1,0,0]=3 3035 B12R1.1 O=CCOCc1ccc(cc1)F 34a_100000210977_200009817547 [0,2,0,0,0,0|1,0,0]=3 3036 B12R1.1 O=CCOCc1ccc(cc1)F 7a_100000210977_200015260668 [0,2,0,0,0,0|1,0,0]=3 3037 B12R1.1 O=CCOCc1ccc(cc1)I 34a_100000690907_200009817547 [0,2,0,0,0,0|1,0,0]=3 3038 B12R1.1 O=CCOCc1ccc(cc1)I 7a_100000690907_200015260668 [0,2,0,0,0,0|1,0,0]=3 3039 B12R1.1 O=CCOCc1ccc(cn1)Br 34a_100000754261_200009817547 [0,2,0,0,0,0|2,0,0]=4 3040 B12R1.1 O=CCOCc1ccc(cn1)Cl 34a_100000703999_200009817547 [0,2,0,0,0,0|2,0,0]=4 3041 B12R1.1 O=CCOCc1ccc(cn1)F 34a_100011999454_200009817547 [0,2,0,0,0,0|2,0,0]=4 3042 B12R1.1 O=CCOCc1ccc(nc1)Br 34a_100009816760_200009817547 [0,2,0,0,0,0|2,0,0]=4 3043 B12R1.1 O=CCOCc1ccc(nc1)Br 7a_100009816760_200015260668 [0,2,0,0,0,0|2,0,0]=4 3044 B12R1.1 O=CCOCc1ccc(nc1)Cl 34a_100000755211_200009817547 [0,2,0,0,0,0|2,0,0]=4 3045 B12R1.1 O=CCOCc1ccc(nc1)Cl 7a_100000755211_200015260668 [0,2,0,0,0,0|2,0,0]=4 3046 B12R1.1 O=CCOCc1ccc(nc1)F 34a_100000079959_200009817547 [0,2,0,0,0,0|2,0,0]=4 3047 B12R1.1 O=CCSCc1ccc(cc1)Br 62a_100000189115_200015260668 [0,2,0,0,0,0|1,0,0]=3 3048 B12R1.1 O=CCSCc1ccc(cc1)Br 62a_200015260668_100000189115 [0,2,0,0,0,0|1,0,0]=3 3049 B12R1.1 O=CCSCc1ccc(cc1)Cl 62a_100000187161_200015260668 [0,2,0,0,0,0|1,0,0]=3 3050 B12R1.1 O=CCSCc1ccc(cc1)Cl 62a_200015260668_100000187161 [0,2,0,0,0,0|1,0,0]=3 3051 B12R1.1 O=CCSCc1ccc(cc1)F 62a_100000198546_200015260668 [0,2,0,0,0,0|1,0,0]=3 3052 B12R1.1 O=CCSCc1ccc(cc1)F 62a_200015260668_100000187164 [0,2,0,0,0,0|1,0,0]=3 3053 B12R1.1 O=CCSCc1ccc(cc1)I 62a_100000189116_200015260668 [0,2,0,0,0,0|1,0,0]=3 3054 B12R1.1 O=CCSCc1ccc(cc1)I 62a_200015260668_100000189116 [0,2,0,0,0,0|1,0,0]=3 3055 B12R1.1 O=CCSCc1ccc(cn1)Br 62a_100000702658_200015260668 [0,2,0,0,0,0|2,0,0]=4 3056 B12R1.1 O=CCSCc1ccc(cn1)Br 62a_200015260668_100000702658 [0,2,0,0,0,0|2,0,0]=4 3057 B12R1.1 O=CCSCc1ccc(cn1)Cl 62a_100012066911_200015260668 [0,2,0,0,0,0|2,0,0]=4 3058 B12R1.1 O=CCSCc1ccc(cn1)Cl 62a_200015260668_100000697101 [0,2,0,0,0,0|2,0,0]=4 3059 B12R1.1 O=CCSCc1ccc(cn1)F 62a_100000703193_200015260668 [0,2,0,0,0,0|2,0,0]=4 3060 B12R1.1 O=CCSCc1ccc(cn1)F 62a_200015260668_100000703193 [0,2,0,0,0,0|2,0,0]=4 3061 B12R1.1 O=CCSCc1ccc(nc1)Br 62a_100009831999_200015260668 [0,2,0,0,0,0|2,0,0]=4 3062 B12R1.1 O=CCSCc1ccc(nc1)Br 62a_200015260668_100009831999 [0,2,0,0,0,0|2,0,0]=4 3063 B12R1.1 O=CCSCc1ccc(nc1)Cl 62a_100000735431_200015260668 [0,2,0,0,0,0|2,0,0]=4 3064 B12R1.1 O=CCSCc1ccc(nc1)Cl 62a_200015260668_100000735431 [0,2,0,0,0,0|2,0,0]=4 3065 B12R1.1 O=CCSCc1ccc(nc1)F 62a_100009820150_200015260668 [0,2,0,0,0,0|2,0,0]=4 3066 B12R1.1 O=CCSCc1ccc(nc1)F 62a_200015260668_100000099788 [0,2,0,0,0,0|2,0,0]=4 3067 B12R1.1 O=CNCCc1ccc(cc1)O 271570a_203496583355_200012351260 [0,2,0,0,0,0|0,0,0]=2 3068 B12R1.1 OCCNCc1ccc(cc1)Br 207a_100000210304_100000186029 [0,2,0,0,0,0|0,0,2]=4 3069 B12R1.1 OCCNCc1ccc(cc1)Br 2230a_100000174875_100000211926 [0,2,0,0,0,0|0,0,2]=4 3070 B12R1.1 OCCNCc1ccc(cc1)Br 2230a_100016997473_100011217064 [0,2,0,0,0,0|0,0,2]=4 3071 B12R1.1 OCCNCc1ccc(cc1)Br 270004a_100000210304_100000186029 [0,2,0,0,0,0|0,0,2]=4 3072 B12R1.1 OCCNCc1ccc(cc1)Br 34a_100000174875_100000211926 [0,2,0,0,0,0|0,0,2]=4 3073 B12R1.1 OCCNCc1ccc(cc1)Br 34a_100016990907_100000189115 [0,2,0,0,0,0|0,0,2]=4 3074 B12R1.1 OCCNCc1ccc(cc1)Cl 207a_100000210304_100000189385 [0,2,0,0,0,0|0,0,2]=4 3075 B12R1.1 OCCNCc1ccc(cc1)Cl 2230a_100000174871_100000211926 [0,2,0,0,0,0|0,0,2]=4 3076 B12R1.1 OCCNCc1ccc(cc1)Cl 2230a_100016997473_100000694040 [0,2,0,0,0,0|0,0,2]=4 3077 B12R1.1 OCCNCc1ccc(cc1)Cl 270004a_100000210304_100000189385 [0,2,0,0,0,0|0,0,2]=4 3078 B12R1.1 OCCNCc1ccc(cc1)Cl 34a_100000174871_100000211926 [0,2,0,0,0,0|0,0,2]=4 3079 B12R1.1 OCCNCc1ccc(cc1)Cl 34a_100016990907_100000694040 [0,2,0,0,0,0|0,0,2]=4 3080 B12R1.1 OCCNCc1ccc(cc1)F 207a_100000210304_100000210084 [0,2,0,0,0,0|0,0,2]=4 3081 B12R1.1 OCCNCc1ccc(cc1)F 2230a_100000174882_100000211926 [0,2,0,0,0,0|0,0,2]=4 3082 B12R1.1 OCCNCc1ccc(cc1)F 2230a_100016997473_100000198546 [0,2,0,0,0,0|0,0,2]=4 3083 B12R1.1 OCCNCc1ccc(cc1)F 270004a_100000210304_100000210084 [0,2,0,0,0,0|0,0,2]=4 3084 B12R1.1 OCCNCc1ccc(cc1)F 34a_100000174882_100000211926 [0,2,0,0,0,0|0,0,2]=4 3085 B12R1.1 OCCNCc1ccc(cc1)F 34a_100016990907_100000198546 [0,2,0,0,0,0|0,0,2]=4 3086 B12R1.1 OCCNCc1ccc(cc1)I 207a_100000210304_100000188517 [0,2,0,0,0,0|0,0,2]=4 3087 B12R1.1 OCCNCc1ccc(cc1)I 2230a_100016989417_100000211926 [0,2,0,0,0,0|0,0,2]=4 3088 B12R1.1 OCCNCc1ccc(cc1)I 2230a_100016997473_100000189116 [0,2,0,0,0,0|0,0,2]=4 3089 B12R1.1 OCCNCc1ccc(cc1)I 34a_100016989417_100000211926 [0,2,0,0,0,0|0,0,2]=4 3090 B12R1.1 OCCNCc1ccc(cc1)I 34a_100016990907_100000189116 [0,2,0,0,0,0|0,0,2]=4 3091 B12R1.1 OCCNCc1ccc(cc1)O 271570a_203496583355_100000186819 [0,2,0,0,0,0|0,0,2]=4 3092 B12R1.1 OCCNCc1ccc(cc1)O 34a_100000185549_100000211926 [0,2,0,0,0,0|0,0,2]=4 3093 B12R1.1 Oc1ccc(cc1)CCNCF 34a_100000743037_100015361967 [0,2,0,0,0,0|1,0,1]=4 3094 B12R1.1 Oc1ccc(cc1)CNCCF 34a_100000185549_100011217306 [0,2,0,0,0,0|1,0,1]=4 3095 B12R1.16 C=CCC(O)c1ccc(cc1)O 271570a_203496583355_100011466436 [0,2,0,0,0,0|2,0,0]=4 3096 B12R1.16 CCNC(C)c1ccc(cc1)Br 2230a_100015525214_100000755118 [0,2,0,0,0,0|1,0,1]=4 3097 B12R1.16 CCNC(C)c1ccc(cc1)Br 269862a_100015525214_100000185794 [0,2,0,0,0,0|1,0,1]=4 3098 B12R1.16 CCNC(C)c1ccc(cc1)C 2230a_100015525214_100011261388 [0,2,0,0,0,0|1,0,1]=4 3099 B12R1.16 CCNC(C)c1ccc(cc1)C 269862a_100015525214_100000185793 [0,2,0,0,0,0|1,0,1]=4 3100 B12R1.16 CCNC(C)c1ccc(cc1)Cl 2230a_100015525214_100000684792 [0,2,0,0,0,0|1,0,1]=4 3101 B12R1.16 CCNC(C)c1ccc(cc1)Cl 269862a_100015525214_100000185797 [0,2,0,0,0,0|1,0,1]=4 3102 B12R1.16 CCNC(C)c1ccc(cc1)F 2230a_100015525214_100000743420 [0,2,0,0,0,0|1,0,1]=4 3103 B12R1.16 CCNC(C)c1ccc(cc1)F 269862a_100015525214_100000185800 [0,2,0,0,0,0|1,0,1]=4 3104 B12R1.16 CCNC(C)c1ccc(cc1)I 269862a_100015525214_100000185465 [0,2,0,0,0,0|1,0,1]=4 3105 B12R1.16 CCN[C@@H](C)c1ccc(cc1)F 2230a_100025705893_100000210202 [0,2,0,0,0,0|1,0,1]=4 3106 B12R1.16 CCN[C@@H](C)c1ccc(cc1)F 34a_100025705893_100000210202 [0,2,0,0,0,0|1,0,1]=4 3107 B12R1.16 CCN[C@@H](C)c1ccc(cc1)I 2230a_100000753911_100000210202 [0,2,0,0,0,0|1,0,1]=4 3108 B12R1.16 CCN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_100000210202 [0,2,0,0,0,0|1,0,1]=4 3109 B12R1.16 CCN[C@H](C)c1ccc(cc1)Br 2230a_100000720352_100000210202 [0,2,0,0,0,0|1,0,1]=4 3110 B12R1.16 CCN[C@H](C)c1ccc(cc1)C 2230a_100016988085_100000210202 [0,2,0,0,0,0|1,0,1]=4 3111 B12R1.16 CCN[C@H](C)c1ccc(cc1)C 34a_100016988085_100000210202 [0,2,0,0,0,0|1,0,1]=4 3112 B12R1.16 CCN[C@H](C)c1ccc(cc1)Cl 2230a_100015205461_100000210202 [0,2,0,0,0,0|1,0,1]=4 3113 B12R1.16 CCN[C@H](C)c1ccc(cc1)Cl 34a_100015205461_100000210202 [0,2,0,0,0,0|1,0,1]=4 3114 B12R1.16 CN(CC=O)c1ccc(cc1)Br 2230a_100000219623_200015260668 [0,2,0,0,0,0|2,0,0]=4 3115 B12R1.16 CN(CC=O)c1ccc(cc1)Br 269982a_100000219623_200015260668 [0,2,0,0,0,0|2,0,0]=4 3116 B12R1.16 CN(CC=O)c1ccc(cc1)Br 34a_100000219623_200009817547 [0,2,0,0,0,0|2,0,0]=4 3117 B12R1.16 CN(CC=O)c1ccc(cc1)Cl 2230a_100020629279_200015260668 [0,2,0,0,0,0|2,0,0]=4 3118 B12R1.16 CN(CC=O)c1ccc(cc1)Cl 269982a_100020629279_200015260668 [0,2,0,0,0,0|2,0,0]=4 3119 B12R1.16 CN(CC=O)c1ccc(cc1)Cl 34a_100020629279_200009817547 [0,2,0,0,0,0|2,0,0]=4 3120 B12R1.16 CN(CC=O)c1ccc(cc1)F 2230a_100000219829_200015260668 [0,2,0,0,0,0|2,0,0]=4 3121 B12R1.16 CN(CC=O)c1ccc(cc1)F 269982a_100000219829_200015260668 [0,2,0,0,0,0|2,0,0]=4 3122 B12R1.16 CN(CC=O)c1ccc(cc1)F 34a_100000219829_200009817547 [0,2,0,0,0,0|2,0,0]=4 3123 B12R1.16 CN(CC=O)c1ccc(cc1)I 2230a_100000743151_200015260668 [0,2,0,0,0,0|2,0,0]=4 3124 B12R1.16 CN(CC=O)c1ccc(cc1)I 269982a_100000743151_200015260668 [0,2,0,0,0,0|2,0,0]=4 3125 B12R1.16 CN(CC=O)c1ccc(cc1)I 34a_100000743151_200009817547 [0,2,0,0,0,0|2,0,0]=4 3126 B12R1.16 CN(CC=O)c1ccc(cc1)O 269982a_100000182112_200015260668 [0,2,0,0,0,0|2,0,0]=4 3127 B12R1.16 CN(CC=O)c1ccc(cc1)O 34a_100000182112_200009817547 [0,2,0,0,0,0|2,0,0]=4 3128 B12R1.16 C[C@@H](NCF)c1ccc(cc1)Cl 34a_100015205461_100015361967 [0,2,0,0,0,0|1,0,1]=4 3129 B12R1.16 C[C@H](NCF)c1ccc(cc1)F 34a_100025705893_100015361967 [0,2,0,0,0,0|1,0,1]=4 3130 B12R1.16 Cc1ccc(cc1)N(C)CC=O 2230a_100000219977_200015260668 [0,2,0,0,0,0|2,0,0]=4 3131 B12R1.16 Cc1ccc(cc1)N(C)CC=O 269982a_100000219977_200015260668 [0,2,0,0,0,0|2,0,0]=4 3132 B12R1.16 Cc1ccc(cc1)N(C)CC=O 34a_100000219977_200009817547 [0,2,0,0,0,0|2,0,0]=4 3133 B12R1.16 Cc1ccc(cc1)[C@@H](C)NCF 34a_100016988085_100015361967 [0,2,0,0,0,0|1,0,1]=4 3134 B12R1.21 CC(=O)/C=C/c1ccc(cc1)O 271570a_203496583355_200016259395 [0,2,0,0,0,0|1,0,1]=4 3135 B12R1.21 CC(=O)C#Cc1ccc(cc1)Br 1458a_100012100275_200000210301 [0,2,0,0,0,0|1,0,1]=4 3136 B12R1.21 CC(=O)C#Cc1ccc(cc1)Cl 1458a_100011892723_200000210301 [0,2,0,0,0,0|1,0,1]=4 3137 B12R1.21 CC(=O)C#Cc1ccc(cc1)F 1458a_100000238512_200000210301 [0,2,0,0,0,0|1,0,1]=4 3138 B12R1.21 CC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_200000210301 [0,2,0,0,0,0|1,0,1]=4 3139 B12R1.21 CC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_200000210301 [0,2,0,0,0,0|1,0,1]=4 3140 B12R1.21 CC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_200000210301 [0,2,0,0,0,0|1,0,1]=4 3141 B12R1.21 CC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_200000210301 [0,2,0,0,0,0|1,0,1]=4 3142 B12R1.21 CC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_200000210301 [0,2,0,0,0,0|1,0,1]=4 3143 B12R1.21 CC(=O)CCc1ccc(cc1)Br 1458a_100000070787_100011740612 [0,2,0,0,0,0|1,0,0]=3 3144 B12R1.21 CC(=O)CCc1ccc(cc1)Br 1458a_100000217147_200000210301 [0,2,0,0,0,0|1,0,0]=3 3145 B12R1.21 CC(=O)CCc1ccc(cc1)C 1458a_100000070787_100011713686 [0,2,0,0,0,0|1,0,0]=3 3146 B12R1.21 CC(=O)CCc1ccc(cc1)C 1458a_100000234883_200000210301 [0,2,0,0,0,0|1,0,0]=3 3147 B12R1.21 CC(=O)CCc1ccc(cc1)Cl 1458a_100000070787_100011713675 [0,2,0,0,0,0|1,0,0]=3 3148 B12R1.21 CC(=O)CCc1ccc(cc1)Cl 1458a_100000235379_200000210301 [0,2,0,0,0,0|1,0,0]=3 3149 B12R1.21 CC(=O)CCc1ccc(cc1)F 1458a_100000070787_100011217392 [0,2,0,0,0,0|1,0,0]=3 3150 B12R1.21 CC(=O)CCc1ccc(cc1)F 1458a_100000198493_200000210301 [0,2,0,0,0,0|1,0,0]=3 3151 B12R1.21 CC(=O)CCc1ccc(cc1)I 1458a_100011217499_200000210301 [0,2,0,0,0,0|1,0,0]=3 3152 B12R1.21 CC(=O)CCc1ccc(cc1)O 1458a_100000070787_100009816426 [0,2,0,0,0,0|1,0,0]=3 3153 B12R1.21 CC(=O)CCc1ccc(cc1)O 1458a_100000742835_200000210301 [0,2,0,0,0,0|1,0,0]=3 3154 B12R1.21 CC(=O)CCc1ccc(cc1)O 271570a_203496583355_100000723691 [0,2,0,0,0,0|1,0,0]=3 3155 B12R1.21 CC(=O)COc1ccc(cc1)Br 1458a_100000182358_200000210301 [0,2,0,0,0,0|2,0,0]=4 3156 B12R1.21 CC(=O)COc1ccc(cc1)C 1458a_100000182360_200000210301 [0,2,0,0,0,0|2,0,0]=4 3157 B12R1.21 CC(=O)COc1ccc(cc1)Cl 1458a_100016990877_200000210301 [0,2,0,0,0,0|2,0,0]=4 3158 B12R1.21 CC(=O)COc1ccc(cc1)F 1458a_100000184765_200000210301 [0,2,0,0,0,0|2,0,0]=4 3159 B12R1.21 CC(=O)COc1ccc(cc1)I 1458a_100000184369_200000210301 [0,2,0,0,0,0|2,0,0]=4 3160 B12R1.21 CC(=O)COc1ccc(cc1)O 1458a_100000031633_200000210301 [0,2,0,0,0,0|2,0,0]=4 3161 B12R1.21 CC(=O)CSc1ccc(cc1)Br 1458a_100000179496_200000210301 [0,2,0,0,0,0|2,0,0]=4 3162 B12R1.21 CC(=O)CSc1ccc(cc1)C 1458a_100000179497_200000210301 [0,2,0,0,0,0|2,0,0]=4 3163 B12R1.21 CC(=O)CSc1ccc(cc1)Cl 1458a_100000178402_200000210301 [0,2,0,0,0,0|2,0,0]=4 3164 B12R1.21 CC(=O)CSc1ccc(cc1)F 1458a_100000691584_200000210301 [0,2,0,0,0,0|2,0,0]=4 3165 B12R1.21 CC(=O)NCc1ccc(cc1)Br 11a_100000174875_100015343762 [0,2,0,0,0,0|0,0,0]=2 3166 B12R1.21 CC(=O)NCc1ccc(cc1)Br 1626a_100000174875_100015343762 [0,2,0,0,0,0|0,0,0]=2 3167 B12R1.21 CC(=O)NCc1ccc(cc1)Br 240690a_100000174875_100015343762 [0,2,0,0,0,0|0,0,0]=2 3168 B12R1.21 CC(=O)NCc1ccc(cc1)Br 527a_100000174875_100103153847 [0,2,0,0,0,0|0,0,0]=2 3169 B12R1.21 CC(=O)NCc1ccc(cc1)C 11a_100000174908_100015343762 [0,2,0,0,0,0|0,0,0]=2 3170 B12R1.21 CC(=O)NCc1ccc(cc1)C 1626a_100000174908_100015343762 [0,2,0,0,0,0|0,0,0]=2 3171 B12R1.21 CC(=O)NCc1ccc(cc1)C 240690a_100000174908_100015343762 [0,2,0,0,0,0|0,0,0]=2 3172 B12R1.21 CC(=O)NCc1ccc(cc1)C 527a_100000174908_100103153847 [0,2,0,0,0,0|0,0,0]=2 3173 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 11a_100000174871_100015343762 [0,2,0,0,0,0|0,0,0]=2 3174 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 1626a_100000174871_100015343762 [0,2,0,0,0,0|0,0,0]=2 3175 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 240690a_100000174871_100015343762 [0,2,0,0,0,0|0,0,0]=2 3176 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 527a_100000174871_100103153847 [0,2,0,0,0,0|0,0,0]=2 3177 B12R1.21 CC(=O)NCc1ccc(cc1)F 11a_100000174882_100015343762 [0,2,0,0,0,0|0,0,0]=2 3178 B12R1.21 CC(=O)NCc1ccc(cc1)F 1626a_100000174882_100015343762 [0,2,0,0,0,0|0,0,0]=2 3179 B12R1.21 CC(=O)NCc1ccc(cc1)F 240690a_100000174882_100015343762 [0,2,0,0,0,0|0,0,0]=2 3180 B12R1.21 CC(=O)NCc1ccc(cc1)F 527a_100000174882_100103153847 [0,2,0,0,0,0|0,0,0]=2 3181 B12R1.21 CC(=O)NCc1ccc(cc1)I 11a_100016989417_100015343762 [0,2,0,0,0,0|0,0,0]=2 3182 B12R1.21 CC(=O)NCc1ccc(cc1)I 1626a_100016989417_100015343762 [0,2,0,0,0,0|0,0,0]=2 3183 B12R1.21 CC(=O)NCc1ccc(cc1)I 240690a_100016989417_100015343762 [0,2,0,0,0,0|0,0,0]=2 3184 B12R1.21 CC(=O)NCc1ccc(cc1)I 527a_100016989417_100103153847 [0,2,0,0,0,0|0,0,0]=2 3185 B12R1.21 CC(=O)NCc1ccc(cc1)O 240690a_100000185549_100015343762 [0,2,0,0,0,0|0,0,0]=2 3186 B12R1.21 CC(=O)NCc1ccc(cc1)O 271570a_203496583355_200000685173 [0,2,0,0,0,0|0,0,0]=2 3187 B12R1.21 CC(=O)NCc1ccc(cc1)O 527a_100000185549_100103153847 [0,2,0,0,0,0|0,0,0]=2 3188 B12R1.21 CC(=O)NCc1ccc(cn1)Br 11a_100015188789_100015343762 [0,2,0,0,0,0|1,0,0]=3 3189 B12R1.21 CC(=O)NCc1ccc(cn1)Br 1626a_100015188789_100015343762 [0,2,0,0,0,0|1,0,0]=3 3190 B12R1.21 CC(=O)NCc1ccc(cn1)Br 240690a_100015188789_100015343762 [0,2,0,0,0,0|1,0,0]=3 3191 B12R1.21 CC(=O)NCc1ccc(cn1)Br 527a_100015188789_100103153847 [0,2,0,0,0,0|1,0,0]=3 3192 B12R1.21 CC(=O)NCc1ccc(cn1)C 11a_100015187455_100015343762 [0,2,0,0,0,0|1,0,0]=3 3193 B12R1.21 CC(=O)NCc1ccc(cn1)C 1626a_100015187455_100015343762 [0,2,0,0,0,0|1,0,0]=3 3194 B12R1.21 CC(=O)NCc1ccc(cn1)C 240690a_100015187455_100015343762 [0,2,0,0,0,0|1,0,0]=3 3195 B12R1.21 CC(=O)NCc1ccc(cn1)C 527a_100015187455_100103153847 [0,2,0,0,0,0|1,0,0]=3 3196 B12R1.21 CC(=O)NCc1ccc(cn1)Cl 11a_100000697193_100015343762 [0,2,0,0,0,0|1,0,0]=3 3197 B12R1.21 CC(=O)NCc1ccc(cn1)Cl 1626a_100000697193_100015343762 [0,2,0,0,0,0|1,0,0]=3 3198 B12R1.21 CC(=O)NCc1ccc(cn1)Cl 240690a_100000697193_100015343762 [0,2,0,0,0,0|1,0,0]=3 3199 B12R1.21 CC(=O)NCc1ccc(cn1)Cl 527a_100000697193_100103153847 [0,2,0,0,0,0|1,0,0]=3 3200 B12R1.21 CC(=O)NCc1ccc(cn1)F 11a_100020620131_100015343762 [0,2,0,0,0,0|1,0,0]=3 3201 B12R1.21 CC(=O)NCc1ccc(cn1)F 1626a_100020620131_100015343762 [0,2,0,0,0,0|1,0,0]=3 3202 B12R1.21 CC(=O)NCc1ccc(cn1)F 240690a_100020620131_100015343762 [0,2,0,0,0,0|1,0,0]=3 3203 B12R1.21 CC(=O)NCc1ccc(cn1)F 527a_100020620131_100103153847 [0,2,0,0,0,0|1,0,0]=3 3204 B12R1.21 CC(=O)NCc1ccc(cn1)O 240690a_100020605196_100015343762 [0,2,0,0,0,0|1,0,0]=3 3205 B12R1.21 CC(=O)NCc1ccc(nc1)Br 11a_100009817727_100015343762 [0,2,0,0,0,0|1,0,0]=3 3206 B12R1.21 CC(=O)NCc1ccc(nc1)Br 240690a_100009817727_100015343762 [0,2,0,0,0,0|1,0,0]=3 3207 B12R1.21 CC(=O)NCc1ccc(nc1)Br 527a_100009817727_100103153847 [0,2,0,0,0,0|1,0,0]=3 3208 B12R1.21 CC(=O)NCc1ccc(nc1)C 11a_100000740942_100015343762 [0,2,0,0,0,0|1,0,0]=3 3209 B12R1.21 CC(=O)NCc1ccc(nc1)C 1626a_100000740942_100015343762 [0,2,0,0,0,0|1,0,0]=3 3210 B12R1.21 CC(=O)NCc1ccc(nc1)C 240690a_100000740942_100015343762 [0,2,0,0,0,0|1,0,0]=3 3211 B12R1.21 CC(=O)NCc1ccc(nc1)C 527a_100000740942_100103153847 [0,2,0,0,0,0|1,0,0]=3 3212 B12R1.21 CC(=O)NCc1ccc(nc1)Cl 11a_100000735879_100015343762 [0,2,0,0,0,0|1,0,0]=3 3213 B12R1.21 CC(=O)NCc1ccc(nc1)Cl 1626a_100000735879_100015343762 [0,2,0,0,0,0|1,0,0]=3 3214 B12R1.21 CC(=O)NCc1ccc(nc1)Cl 240690a_100000735879_100015343762 [0,2,0,0,0,0|1,0,0]=3 3215 B12R1.21 CC(=O)NCc1ccc(nc1)Cl 527a_100000735879_100103153847 [0,2,0,0,0,0|1,0,0]=3 3216 B12R1.21 CC(=O)NCc1ccc(nc1)F 11a_100000101913_100015343762 [0,2,0,0,0,0|1,0,0]=3 3217 B12R1.21 CC(=O)NCc1ccc(nc1)F 1626a_100000101913_100015343762 [0,2,0,0,0,0|1,0,0]=3 3218 B12R1.21 CC(=O)NCc1ccc(nc1)F 240690a_100000101913_100015343762 [0,2,0,0,0,0|1,0,0]=3 3219 B12R1.21 CC(=O)NCc1ccc(nc1)F 527a_100000101913_100103153847 [0,2,0,0,0,0|1,0,0]=3 3220 B12R1.21 CC(=O)NCc1ccc(nc1)O 11a_100000757128_100015343762 [0,2,0,0,0,0|1,0,0]=3 3221 B12R1.21 CC(=O)NCc1ccc(nc1)O 240690a_100000757128_100015343762 [0,2,0,0,0,0|1,0,0]=3 3222 B12R1.21 CC(=O)NCc1cnc(cn1)C 11a_100132314150_100015343762 [0,2,0,0,0,0|2,0,0]=4 3223 B12R1.21 CC(=O)NCc1cnc(cn1)C 240690a_100132314150_100015343762 [0,2,0,0,0,0|2,0,0]=4 3224 B12R1.21 CC(=O)NCc1cnc(cn1)C 527a_100132314150_100103153847 [0,2,0,0,0,0|2,0,0]=4 3225 B12R1.21 CC(=O)NCc1ncc(cn1)Br 11a_200016993442_100015343762 [0,2,0,0,0,0|2,0,0]=4 3226 B12R1.21 CC(=O)NCc1ncc(cn1)Br 240690a_200016993442_100015343762 [0,2,0,0,0,0|2,0,0]=4 3227 B12R1.21 CC(=O)NCc1ncc(cn1)Br 527a_200016993442_100103153847 [0,2,0,0,0,0|2,0,0]=4 3228 B12R1.21 CC(=O)NCc1ncc(cn1)Cl 11a_200015186297_100015343762 [0,2,0,0,0,0|2,0,0]=4 3229 B12R1.21 CC(=O)NCc1ncc(cn1)Cl 1626a_200015186297_100015343762 [0,2,0,0,0,0|2,0,0]=4 3230 B12R1.21 CC(=O)NCc1ncc(cn1)Cl 240690a_200015186297_100015343762 [0,2,0,0,0,0|2,0,0]=4 3231 B12R1.21 CC(=O)NCc1ncc(cn1)Cl 527a_200015186297_100103153847 [0,2,0,0,0,0|2,0,0]=4 3232 B12R1.21 CC(=O)NNc1ccc(cc1)Br 22a_100000735608_100000070787 [0,2,0,0,0,0|1,0,0]=3 3233 B12R1.21 CC(=O)NNc1ccc(cc1)C 22a_100000683527_100000070787 [0,2,0,0,0,0|1,0,0]=3 3234 B12R1.21 CC(=O)NNc1ccc(cc1)Cl 22a_100000683521_100000070787 [0,2,0,0,0,0|1,0,0]=3 3235 B12R1.21 CC(=O)NNc1ccc(cc1)F 22a_100000728448_100000070787 [0,2,0,0,0,0|1,0,0]=3 3236 B12R1.21 CC(=O)NNc1ccc(cc1)I 22a_100016988836_100000070787 [0,2,0,0,0,0|1,0,0]=3 3237 B12R1.21 CC(=O)NNc1ccc(cc1)O 271570a_203496583355_200009815283 [0,2,0,0,0,0|1,0,0]=3 3238 B12R1.21 CC(=O)NNc1ccc(cn1)Br 22a_100000750576_100000070787 [0,2,0,0,0,0|2,0,0]=4 3239 B12R1.21 CC(=O)NNc1ccc(cn1)C 22a_100000746693_100000070787 [0,2,0,0,0,0|2,0,0]=4 3240 B12R1.21 CC(=O)NNc1ccc(cn1)Cl 22a_100011206499_100000070787 [0,2,0,0,0,0|2,0,0]=4 3241 B12R1.21 CC(=O)NNc1ccc(cn1)F 22a_100000753838_100000070787 [0,2,0,0,0,0|2,0,0]=4 3242 B12R1.21 CC(=O)NNc1ccc(cn1)I 22a_100010221006_100000070787 [0,2,0,0,0,0|2,0,0]=4 3243 B12R1.21 CC(=O)NNc1ccc(cn1)O 271570a_203496583355_200010175596 [0,2,0,0,0,0|2,0,0]=4 3244 B12R1.21 CC(=O)NNc1ccc(nc1)Br 22a_100000755011_100000070787 [0,2,0,0,0,0|2,0,0]=4 3245 B12R1.21 CC(=O)NNc1ccc(nc1)C 22a_100020639869_100000070787 [0,2,0,0,0,0|2,0,0]=4 3246 B12R1.21 CC(=O)NNc1ccc(nc1)Cl 22a_100000119030_100000070787 [0,2,0,0,0,0|2,0,0]=4 3247 B12R1.21 CC(=O)NNc1ccc(nc1)F 22a_100000120849_100000070787 [0,2,0,0,0,0|2,0,0]=4 3248 B12R1.21 CC(C)NCc1ccc(cc1)Br 207a_100138425928_100000186029 [0,2,0,0,0,0|1,0,1]=4 3249 B12R1.21 CC(C)NCc1ccc(cc1)Br 2230a_100000174875_100000210206 [0,2,0,0,0,0|1,0,1]=4 3250 B12R1.21 CC(C)NCc1ccc(cc1)Br 2230a_100138425928_100011217064 [0,2,0,0,0,0|1,0,1]=4 3251 B12R1.21 CC(C)NCc1ccc(cc1)Br 34a_100000174875_100000210206 [0,2,0,0,0,0|1,0,1]=4 3252 B12R1.21 CC(C)NCc1ccc(cc1)Br 34a_100138425928_100000189115 [0,2,0,0,0,0|1,0,1]=4 3253 B12R1.21 CC(C)NCc1ccc(cc1)Cl 207a_100138425928_100000189385 [0,2,0,0,0,0|1,0,1]=4 3254 B12R1.21 CC(C)NCc1ccc(cc1)Cl 2230a_100000174871_100000210206 [0,2,0,0,0,0|1,0,1]=4 3255 B12R1.21 CC(C)NCc1ccc(cc1)Cl 2230a_100138425928_100000694040 [0,2,0,0,0,0|1,0,1]=4 3256 B12R1.21 CC(C)NCc1ccc(cc1)Cl 34a_100000174871_100000210206 [0,2,0,0,0,0|1,0,1]=4 3257 B12R1.21 CC(C)NCc1ccc(cc1)Cl 34a_100138425928_100000694040 [0,2,0,0,0,0|1,0,1]=4 3258 B12R1.21 CC(C)NCc1ccc(cc1)F 207a_100138425928_100000210084 [0,2,0,0,0,0|1,0,1]=4 3259 B12R1.21 CC(C)NCc1ccc(cc1)F 2230a_100000174882_100000210206 [0,2,0,0,0,0|1,0,1]=4 3260 B12R1.21 CC(C)NCc1ccc(cc1)F 2230a_100138425928_100000198546 [0,2,0,0,0,0|1,0,1]=4 3261 B12R1.21 CC(C)NCc1ccc(cc1)F 34a_100000174882_100000210206 [0,2,0,0,0,0|1,0,1]=4 3262 B12R1.21 CC(C)NCc1ccc(cc1)F 34a_100138425928_100000198546 [0,2,0,0,0,0|1,0,1]=4 3263 B12R1.21 CC(C)NCc1ccc(cc1)I 207a_100138425928_100000188517 [0,2,0,0,0,0|1,0,1]=4 3264 B12R1.21 CC(C)NCc1ccc(cc1)I 2230a_100016989417_100000210206 [0,2,0,0,0,0|1,0,1]=4 3265 B12R1.21 CC(C)NCc1ccc(cc1)I 2230a_100138425928_100000189116 [0,2,0,0,0,0|1,0,1]=4 3266 B12R1.21 CC(C)NCc1ccc(cc1)I 34a_100016989417_100000210206 [0,2,0,0,0,0|1,0,1]=4 3267 B12R1.21 CC(C)NCc1ccc(cc1)I 34a_100138425928_100000189116 [0,2,0,0,0,0|1,0,1]=4 3268 B12R1.21 CC(C)NCc1ccc(cc1)O 271570a_203496583355_100000195760 [0,2,0,0,0,0|1,0,1]=4 3269 B12R1.21 CC(C)NCc1ccc(cc1)O 34a_100000185549_100000210206 [0,2,0,0,0,0|1,0,1]=4 3270 B12R1.21 Cc1ccc(cc1)C=CC(=O)[13CH3] 1458a_100000716854_200025704644 [0,2,0,0,0,0|1,0,1]=4 3271 B12R1.21 Cc1ccc(cc1)CCC(=O)[13CH3] 1458a_100000234883_200025704644 [0,2,0,0,0,0|1,0,0]=3 3272 B12R1.21 Cc1ccc(cc1)CNC(C)C 207a_100138425928_100000211033 [0,2,0,0,0,0|1,0,1]=4 3273 B12R1.21 Cc1ccc(cc1)CNC(C)C 2230a_100000174908_100000210206 [0,2,0,0,0,0|1,0,1]=4 3274 B12R1.21 Cc1ccc(cc1)CNC(C)C 2230a_100138425928_100000210814 [0,2,0,0,0,0|1,0,1]=4 3275 B12R1.21 Cc1ccc(cc1)CNC(C)C 34a_100000174908_100000210206 [0,2,0,0,0,0|1,0,1]=4 3276 B12R1.21 Cc1ccc(cc1)CNC(C)C 34a_100138425928_100000210814 [0,2,0,0,0,0|1,0,1]=4 3277 B12R1.21 Cc1ccc(cc1)NCC(=O)N 34a_100000124888_100000187820 [0,2,0,0,0,0|2,0,0]=4 3278 B12R1.21 Cc1ccc(cc1)NCC(=O)[O-] 34a_100000124888_100020667443 [0,2,0,0,0,0|2,0,0]=4 3279 B12R1.21 Cc1ccc(cc1)OCC(=O)N 34a_100000210336_100000187820 [0,2,0,0,0,0|2,0,0]=4 3280 B12R1.21 Cc1ccc(cc1)OCC(=O)N 7a_100000210336_100000187820 [0,2,0,0,0,0|2,0,0]=4 3281 B12R1.21 Cc1ccc(cc1)OCC(=O)[13CH3] 1458a_100000182360_200025704644 [0,2,0,0,0,0|2,0,0]=4 3282 B12R1.21 Cc1ccc(cc1)OCC(=O)[O-] 34a_100000210336_100020667443 [0,2,0,0,0,0|2,0,0]=4 3283 B12R1.21 Cc1ccc(cc1)SCC(=O)N 62a_100000186775_100000747473 [0,2,0,0,0,0|2,0,0]=4 3284 B12R1.21 Cc1ccc(cc1)SCC(=O)N 62a_100000747473_100000186775 [0,2,0,0,0,0|2,0,0]=4 3285 B12R1.21 Cc1ccc(cc1)SCC(=O)[13CH3] 1458a_100000179497_200025704644 [0,2,0,0,0,0|2,0,0]=4 3286 B12R1.21 Cc1ccc(cc1)SCC(=O)[O-] 62a_100000186775_100020667443 [0,2,0,0,0,0|2,0,0]=4 3287 B12R1.21 Cc1ccc(cc1)SCC(=O)[O-] 62a_100020667443_100000186775 [0,2,0,0,0,0|2,0,0]=4 3288 B12R1.21 NC(=O)CCc1ccc(cc1)O 271570a_203496583355_200010110666 [0,2,0,0,0,0|1,0,0]=3 3289 B12R1.21 NC(=O)CNc1ccc(cc1)Br 2230a_100000210018_100000747473 [0,2,0,0,0,0|2,0,0]=4 3290 B12R1.21 NC(=O)CNc1ccc(cc1)Br 34a_100000210018_100000187820 [0,2,0,0,0,0|2,0,0]=4 3291 B12R1.21 NC(=O)CNc1ccc(cc1)Cl 2230a_100000210052_100000747473 [0,2,0,0,0,0|2,0,0]=4 3292 B12R1.21 NC(=O)CNc1ccc(cc1)Cl 34a_100000210052_100000187820 [0,2,0,0,0,0|2,0,0]=4 3293 B12R1.21 NC(=O)CNc1ccc(cc1)F 34a_100000185862_100000187820 [0,2,0,0,0,0|2,0,0]=4 3294 B12R1.21 NC(=O)CNc1ccc(cc1)I 34a_100000185761_100000187820 [0,2,0,0,0,0|2,0,0]=4 3295 B12R1.21 NC(=O)CNc1ccc(cc1)O 34a_100000185829_100000187820 [0,2,0,0,0,0|2,0,0]=4 3296 B12R1.21 NC(=O)COc1ccc(cc1)Br 34a_100000185759_100000187820 [0,2,0,0,0,0|2,0,0]=4 3297 B12R1.21 NC(=O)COc1ccc(cc1)Br 7a_100000185759_100000187820 [0,2,0,0,0,0|2,0,0]=4 3298 B12R1.21 NC(=O)COc1ccc(cc1)Cl 34a_100000210216_100000187820 [0,2,0,0,0,0|2,0,0]=4 3299 B12R1.21 NC(=O)COc1ccc(cc1)Cl 7a_100000210216_100000187820 [0,2,0,0,0,0|2,0,0]=4 3300 B12R1.21 NC(=O)COc1ccc(cc1)F 34a_100000210339_100000187820 [0,2,0,0,0,0|2,0,0]=4 3301 B12R1.21 NC(=O)COc1ccc(cc1)I 34a_100000212066_100000187820 [0,2,0,0,0,0|2,0,0]=4 3302 B12R1.21 NC(=O)COc1ccc(cc1)I 7a_100000212066_100000187820 [0,2,0,0,0,0|2,0,0]=4 3303 B12R1.21 NC(=O)COc1ccc(cc1)N 34a_100000185829_100000187820 [0,2,0,0,0,0|2,0,0]=4 3304 B12R1.21 NC(=O)CSc1ccc(cc1)Br 62a_100000747473_100000752885 [0,2,0,0,0,0|2,0,0]=4 3305 B12R1.21 NC(=O)CSc1ccc(cc1)Br 62a_100000752885_100000747473 [0,2,0,0,0,0|2,0,0]=4 3306 B12R1.21 NC(=O)CSc1ccc(cc1)Cl 62a_100000747473_100000755918 [0,2,0,0,0,0|2,0,0]=4 3307 B12R1.21 NC(=O)CSc1ccc(cc1)Cl 62a_100000755918_100000747473 [0,2,0,0,0,0|2,0,0]=4 3308 B12R1.21 NC(=O)CSc1ccc(cc1)F 62a_100000211213_100000747473 [0,2,0,0,0,0|2,0,0]=4 3309 B12R1.21 NC(=O)CSc1ccc(cc1)F 62a_100000747473_100000211213 [0,2,0,0,0,0|2,0,0]=4 3310 B12R1.21 NC(=O)CSc1ccc(cc1)N 62a_100000185761_100000747473 [0,2,0,0,0,0|2,0,0]=4 3311 B12R1.21 NC(=O)CSc1ccc(cc1)N 62a_100000747473_100000185761 [0,2,0,0,0,0|2,0,0]=4 3312 B12R1.21 NC(=O)CSc1ccc(cc1)O 271570a_203496583355_100000149456 [0,2,0,0,0,0|2,0,0]=4 3313 B12R1.21 NC(=O)CSc1ccc(cc1)O 62a_100000747473_100000185759 [0,2,0,0,0,0|2,0,0]=4 3314 B12R1.21 Nc1ccc(cc1)OCC(=O)[O-] 34a_100000185829_100020667443 [0,2,0,0,0,0|2,0,0]=4 3315 B12R1.21 Nc1ccc(cc1)SCC(=O)[O-] 62a_100000185761_100020667443 [0,2,0,0,0,0|2,0,0]=4 3316 B12R1.21 Nc1ccc(cc1)SCC(=O)[O-] 62a_100020667443_100000185761 [0,2,0,0,0,0|2,0,0]=4 3317 B12R1.21 O=C([O-])CNc1ccc(cc1)Br 34a_100000210018_100020667443 [0,2,0,0,0,0|2,0,0]=4 3318 B12R1.21 O=C([O-])CNc1ccc(cc1)Cl 34a_100000210052_100020667443 [0,2,0,0,0,0|2,0,0]=4 3319 B12R1.21 O=C([O-])CNc1ccc(cc1)F 34a_100000185862_100020667443 [0,2,0,0,0,0|2,0,0]=4 3320 B12R1.21 O=C([O-])CNc1ccc(cc1)I 34a_100000185761_100020667443 [0,2,0,0,0,0|2,0,0]=4 3321 B12R1.21 O=C([O-])CNc1ccc(cc1)O 34a_100000185829_100020667443 [0,2,0,0,0,0|2,0,0]=4 3322 B12R1.21 O=C([O-])COc1ccc(cc1)Br 34a_100000185759_100020667443 [0,2,0,0,0,0|2,0,0]=4 3323 B12R1.21 O=C([O-])COc1ccc(cc1)Cl 34a_100000210216_100020667443 [0,2,0,0,0,0|2,0,0]=4 3324 B12R1.21 O=C([O-])COc1ccc(cc1)F 34a_100000210339_100020667443 [0,2,0,0,0,0|2,0,0]=4 3325 B12R1.21 O=C([O-])COc1ccc(cc1)I 34a_100000212066_100020667443 [0,2,0,0,0,0|2,0,0]=4 3326 B12R1.21 O=C([O-])CSc1ccc(cc1)Br 62a_100000752885_100020667443 [0,2,0,0,0,0|2,0,0]=4 3327 B12R1.21 O=C([O-])CSc1ccc(cc1)Br 62a_100020667443_100000752885 [0,2,0,0,0,0|2,0,0]=4 3328 B12R1.21 O=C([O-])CSc1ccc(cc1)Cl 62a_100000755918_100020667443 [0,2,0,0,0,0|2,0,0]=4 3329 B12R1.21 O=C([O-])CSc1ccc(cc1)Cl 62a_100020667443_100000755918 [0,2,0,0,0,0|2,0,0]=4 3330 B12R1.21 O=C([O-])CSc1ccc(cc1)F 62a_100000211213_100020667443 [0,2,0,0,0,0|2,0,0]=4 3331 B12R1.21 O=C([O-])CSc1ccc(cc1)F 62a_100020667443_100000211213 [0,2,0,0,0,0|2,0,0]=4 3332 B12R1.21 O=C([O-])CSc1ccc(cc1)O 62a_100020667443_100000185759 [0,2,0,0,0,0|2,0,0]=4 3333 B12R1.21 [13CH3]C(=O)C#Cc1ccc(cc1)Br 1458a_100012100275_200025704644 [0,2,0,0,0,0|1,0,1]=4 3334 B12R1.21 [13CH3]C(=O)C#Cc1ccc(cc1)Cl 1458a_100011892723_200025704644 [0,2,0,0,0,0|1,0,1]=4 3335 B12R1.21 [13CH3]C(=O)C#Cc1ccc(cc1)F 1458a_100000238512_200025704644 [0,2,0,0,0,0|1,0,1]=4 3336 B12R1.21 [13CH3]C(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_200025704644 [0,2,0,0,0,0|1,0,1]=4 3337 B12R1.21 [13CH3]C(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_200025704644 [0,2,0,0,0,0|1,0,1]=4 3338 B12R1.21 [13CH3]C(=O)C=Cc1ccc(cc1)F 1458a_100000182136_200025704644 [0,2,0,0,0,0|1,0,1]=4 3339 B12R1.21 [13CH3]C(=O)C=Cc1ccc(cc1)I 1458a_100102526154_200025704644 [0,2,0,0,0,0|1,0,1]=4 3340 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)Br 1458a_100000217147_200025704644 [0,2,0,0,0,0|1,0,0]=3 3341 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)Cl 1458a_100000235379_200025704644 [0,2,0,0,0,0|1,0,0]=3 3342 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)F 1458a_100000198493_200025704644 [0,2,0,0,0,0|1,0,0]=3 3343 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)I 1458a_100011217499_200025704644 [0,2,0,0,0,0|1,0,0]=3 3344 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)O 1458a_100000742835_200025704644 [0,2,0,0,0,0|1,0,0]=3 3345 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)Br 1458a_100000182358_200025704644 [0,2,0,0,0,0|2,0,0]=4 3346 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)Cl 1458a_100016990877_200025704644 [0,2,0,0,0,0|2,0,0]=4 3347 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)F 1458a_100000184765_200025704644 [0,2,0,0,0,0|2,0,0]=4 3348 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)I 1458a_100000184369_200025704644 [0,2,0,0,0,0|2,0,0]=4 3349 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)O 1458a_100000031633_200025704644 [0,2,0,0,0,0|2,0,0]=4 3350 B12R1.21 [13CH3]C(=O)CSc1ccc(cc1)Br 1458a_100000179496_200025704644 [0,2,0,0,0,0|2,0,0]=4 3351 B12R1.21 [13CH3]C(=O)CSc1ccc(cc1)Cl 1458a_100000178402_200025704644 [0,2,0,0,0,0|2,0,0]=4 3352 B12R1.21 [13CH3]C(=O)CSc1ccc(cc1)F 1458a_100000691584_200025704644 [0,2,0,0,0,0|2,0,0]=4 3353 B12R1.49 C=CC(=O)Cc1ccc(cc1)Br 1458a_100000185746_100000189115 [0,2,0,0,0,0|2,0,0]=4 3354 B12R1.49 C=CC(=O)Cc1ccc(cc1)C 1458a_100000185746_100000210814 [0,2,0,0,0,0|2,0,0]=4 3355 B12R1.49 C=CC(=O)Cc1ccc(cc1)Cl 1458a_100000185746_100000694040 [0,2,0,0,0,0|2,0,0]=4 3356 B12R1.49 C=CC(=O)Cc1ccc(cc1)F 1458a_100000185746_100000198546 [0,2,0,0,0,0|2,0,0]=4 3357 B12R1.49 C=CC(=O)Cc1ccc(cc1)I 1458a_100000185746_100000189116 [0,2,0,0,0,0|2,0,0]=4 3358 B12R1.49 CCN(C)Cc1ccc(cc1)Br 2230a_100000180866_100000210202 [0,2,0,0,0,0|1,0,1]=4 3359 B12R1.49 CCN(C)Cc1ccc(cc1)Br 2230a_100000187385_200000210301 [0,2,0,0,0,0|1,0,1]=4 3360 B12R1.49 CCN(C)Cc1ccc(cc1)Br 2230a_100000225621_100011217064 [0,2,0,0,0,0|1,0,1]=4 3361 B12R1.49 CCN(C)Cc1ccc(cc1)Br 269982a_100000180866_100000204670 [0,2,0,0,0,0|1,0,1]=4 3362 B12R1.49 CCN(C)Cc1ccc(cc1)Br 269982a_100000187385_200000210301 [0,2,0,0,0,0|1,0,1]=4 3363 B12R1.49 CCN(C)Cc1ccc(cc1)Br 269982a_100000225621_100011217064 [0,2,0,0,0,0|1,0,1]=4 3364 B12R1.49 CCN(C)Cc1ccc(cc1)Br 26a_100000225621_100000185759 [0,2,0,0,0,0|1,0,1]=4 3365 B12R1.49 CCN(C)Cc1ccc(cc1)C 2230a_100000180869_200000210301 [0,2,0,0,0,0|1,0,1]=4 3366 B12R1.49 CCN(C)Cc1ccc(cc1)C 2230a_100000225621_100000210814 [0,2,0,0,0,0|1,0,1]=4 3367 B12R1.49 CCN(C)Cc1ccc(cc1)C 2230a_100000744650_100000210202 [0,2,0,0,0,0|1,0,1]=4 3368 B12R1.49 CCN(C)Cc1ccc(cc1)C 269982a_100000180869_200000210301 [0,2,0,0,0,0|1,0,1]=4 3369 B12R1.49 CCN(C)Cc1ccc(cc1)C 269982a_100000225621_100000210814 [0,2,0,0,0,0|1,0,1]=4 3370 B12R1.49 CCN(C)Cc1ccc(cc1)C 269982a_100000744650_100000204670 [0,2,0,0,0,0|1,0,1]=4 3371 B12R1.49 CCN(C)Cc1ccc(cc1)C 26a_100000225621_200020625495 [0,2,0,0,0,0|1,0,1]=4 3372 B12R1.49 CCN(C)Cc1ccc(cc1)C 34a_100000744650_100000210202 [0,2,0,0,0,0|1,0,1]=4 3373 B12R1.49 CCN(C)Cc1ccc(cc1)Cl 2230a_100000180830_200000210301 [0,2,0,0,0,0|1,0,1]=4 3374 B12R1.49 CCN(C)Cc1ccc(cc1)Cl 2230a_100000184517_100000210202 [0,2,0,0,0,0|1,0,1]=4 3375 B12R1.49 CCN(C)Cc1ccc(cc1)Cl 2230a_100000225621_100000694040 [0,2,0,0,0,0|1,0,1]=4 3376 B12R1.49 CCN(C)Cc1ccc(cc1)Cl 269982a_100000180830_200000210301 [0,2,0,0,0,0|1,0,1]=4 3377 B12R1.49 CCN(C)Cc1ccc(cc1)Cl 269982a_100000184517_100000204670 [0,2,0,0,0,0|1,0,1]=4 3378 B12R1.49 CCN(C)Cc1ccc(cc1)Cl 269982a_100000225621_100000187161 [0,2,0,0,0,0|1,0,1]=4 3379 B12R1.49 CCN(C)Cc1ccc(cc1)Cl 34a_100000184517_100000210202 [0,2,0,0,0,0|1,0,1]=4 3380 B12R1.49 CCN(C)Cc1ccc(cc1)F 2230a_100000184576_100000210202 [0,2,0,0,0,0|1,0,1]=4 3381 B12R1.49 CCN(C)Cc1ccc(cc1)F 2230a_100000225621_100000198546 [0,2,0,0,0,0|1,0,1]=4 3382 B12R1.49 CCN(C)Cc1ccc(cc1)F 2230a_100015183324_200000210301 [0,2,0,0,0,0|1,0,1]=4 3383 B12R1.49 CCN(C)Cc1ccc(cc1)F 269982a_100000184576_100000204670 [0,2,0,0,0,0|1,0,1]=4 3384 B12R1.49 CCN(C)Cc1ccc(cc1)F 269982a_100000225621_100000198546 [0,2,0,0,0,0|1,0,1]=4 3385 B12R1.49 CCN(C)Cc1ccc(cc1)F 269982a_100015183324_200000210301 [0,2,0,0,0,0|1,0,1]=4 3386 B12R1.49 CCN(C)Cc1ccc(cc1)F 34a_100000184576_100000210202 [0,2,0,0,0,0|1,0,1]=4 3387 B12R1.49 CCN(C)Cc1ccc(cc1)F 34a_100015183324_200000210301 [0,2,0,0,0,0|1,0,1]=4 3388 B12R1.49 CCN(C)Cc1ccc(cc1)I 2230a_100000225621_100000189116 [0,2,0,0,0,0|1,0,1]=4 3389 B12R1.49 CCN(C)Cc1ccc(cc1)I 269982a_100000225621_100000189116 [0,2,0,0,0,0|1,0,1]=4 3390 B12R1.49 CCN(C)Cc1ccc(cc1)O 2230a_100000207500_100000210202 [0,2,0,0,0,0|1,0,1]=4 3391 B12R1.49 CCN(C)Cc1ccc(cc1)O 269982a_100000207500_100000204670 [0,2,0,0,0,0|1,0,1]=4 3392 B12R1.49 CCN(C)Cc1ccc(cc1)O 269982a_100000748449_200000210301 [0,2,0,0,0,0|1,0,1]=4 3393 B12R1.49 CCN([13CH3])Cc1ccc(cc1)Br 2230a_100000187385_200025704644 [0,2,0,0,0,0|1,0,1]=4 3394 B12R1.49 CCN([13CH3])Cc1ccc(cc1)Br 269982a_100000187385_200025704644 [0,2,0,0,0,0|1,0,1]=4 3395 B12R1.49 CCN([13CH3])Cc1ccc(cc1)C 2230a_100000180869_200025704644 [0,2,0,0,0,0|1,0,1]=4 3396 B12R1.49 CCN([13CH3])Cc1ccc(cc1)C 269982a_100000180869_200025704644 [0,2,0,0,0,0|1,0,1]=4 3397 B12R1.49 CCN([13CH3])Cc1ccc(cc1)Cl 2230a_100000180830_200025704644 [0,2,0,0,0,0|1,0,1]=4 3398 B12R1.49 CCN([13CH3])Cc1ccc(cc1)Cl 269982a_100000180830_200025704644 [0,2,0,0,0,0|1,0,1]=4 3399 B12R1.49 CCN([13CH3])Cc1ccc(cc1)F 2230a_100015183324_200025704644 [0,2,0,0,0,0|1,0,1]=4 3400 B12R1.49 CCN([13CH3])Cc1ccc(cc1)F 269982a_100015183324_200025704644 [0,2,0,0,0,0|1,0,1]=4 3401 B12R1.49 CCN([13CH3])Cc1ccc(cc1)F 34a_100015183324_200025704644 [0,2,0,0,0,0|1,0,1]=4 3402 B12R1.49 CCN([13CH3])Cc1ccc(cc1)O 269982a_100000748449_200025704644 [0,2,0,0,0,0|1,0,1]=4 3403 B12R1.49 CN(CF)Cc1ccc(cc1)Br 269982a_100000180866_100015361967 [0,2,0,0,0,0|1,0,1]=4 3404 B12R1.49 CN(CF)Cc1ccc(cc1)Cl 269982a_100000184517_100015361967 [0,2,0,0,0,0|1,0,1]=4 3405 B12R1.49 CN(CF)Cc1ccc(cc1)Cl 34a_100000184517_100015361967 [0,2,0,0,0,0|1,0,1]=4 3406 B12R1.49 CN(CF)Cc1ccc(cc1)F 269982a_100000184576_100015361967 [0,2,0,0,0,0|1,0,1]=4 3407 B12R1.49 CN(CF)Cc1ccc(cc1)F 34a_100000184576_100015361967 [0,2,0,0,0,0|1,0,1]=4 3408 B12R1.49 CN(CF)Cc1ccc(cc1)O 269982a_100000207500_100015361967 [0,2,0,0,0,0|1,0,1]=4 3409 B12R1.49 Cc1ccc(cc1)CN(C)CF 269982a_100000744650_100015361967 [0,2,0,0,0,0|1,0,1]=4 3410 B12R1.49 Cc1ccc(cc1)CN(C)CF 34a_100000744650_100015361967 [0,2,0,0,0,0|1,0,1]=4 3411 B12R1.69 CCNCc1ccc(cc1Br)Br 207a_100015525214_100012351556 [0,2,0,0,0,0|1,0,1]=4 3412 B12R1.69 CCNCc1ccc(cc1Br)Br 2230a_100015525214_200012351560 [0,2,0,0,0,0|1,0,1]=4 3413 B12R1.69 CCNCc1ccc(cc1Br)Br 270004a_100015525214_100012351556 [0,2,0,0,0,0|1,0,1]=4 3414 B12R1.69 CCNCc1ccc(cc1Br)C 207a_100015525214_100000692596 [0,2,0,0,0,0|1,0,1]=4 3415 B12R1.69 CCNCc1ccc(cc1Br)C 270004a_100015525214_100000692596 [0,2,0,0,0,0|1,0,1]=4 3416 B12R1.69 CCNCc1ccc(cc1Br)Cl 207a_100015525214_100000687667 [0,2,0,0,0,0|1,0,1]=4 3417 B12R1.69 CCNCc1ccc(cc1Br)Cl 2230a_100015525214_100000755608 [0,2,0,0,0,0|1,0,1]=4 3418 B12R1.69 CCNCc1ccc(cc1Br)Cl 270004a_100015525214_100000687667 [0,2,0,0,0,0|1,0,1]=4 3419 B12R1.69 CCNCc1ccc(cc1Br)Cl 34a_100102692131_100000210202 [0,2,0,0,0,0|1,0,1]=4 3420 B12R1.69 CCNCc1ccc(cc1Br)F 207a_100015525214_100000685661 [0,2,0,0,0,0|1,0,1]=4 3421 B12R1.69 CCNCc1ccc(cc1Br)F 2230a_100015525214_100000243222 [0,2,0,0,0,0|1,0,1]=4 3422 B12R1.69 CCNCc1ccc(cc1Br)F 270004a_100015525214_100000685661 [0,2,0,0,0,0|1,0,1]=4 3423 B12R1.69 CCNCc1ccc(cc1Br)F 34a_100000708791_100000210202 [0,2,0,0,0,0|1,0,1]=4 3424 B12R1.69 CCNCc1ccc(cc1Br)I 207a_100015525214_100010185650 [0,2,0,0,0,0|1,0,1]=4 3425 B12R1.69 CCNCc1ccc(cc1Br)I 2230a_100015525214_100010146610 [0,2,0,0,0,0|1,0,1]=4 3426 B12R1.69 CCNCc1ccc(cc1C)Br 207a_100015525214_100000687586 [0,2,0,0,0,0|1,0,1]=4 3427 B12R1.69 CCNCc1ccc(cc1C)Br 2230a_100015525214_100000708836 [0,2,0,0,0,0|1,0,1]=4 3428 B12R1.69 CCNCc1ccc(cc1C)Br 270004a_100015525214_100000687586 [0,2,0,0,0,0|1,0,1]=4 3429 B12R1.69 CCNCc1ccc(cc1C)Br 34a_100000753881_100000210202 [0,2,0,0,0,0|1,0,1]=4 3430 B12R1.69 CCNCc1ccc(cc1C)C 207a_100015525214_100000211342 [0,2,0,0,0,0|1,0,1]=4 3431 B12R1.69 CCNCc1ccc(cc1C)C 2230a_100015525214_100011219618 [0,2,0,0,0,0|1,0,1]=4 3432 B12R1.69 CCNCc1ccc(cc1C)C 270004a_100015525214_100000211342 [0,2,0,0,0,0|1,0,1]=4 3433 B12R1.69 CCNCc1ccc(cc1C)C 34a_100000737523_100000210202 [0,2,0,0,0,0|1,0,1]=4 3434 B12R1.69 CCNCc1ccc(cc1C)Cl 207a_100015525214_100000766358 [0,2,0,0,0,0|1,0,1]=4 3435 B12R1.69 CCNCc1ccc(cc1C)Cl 2230a_100015525214_100012361307 [0,2,0,0,0,0|1,0,1]=4 3436 B12R1.69 CCNCc1ccc(cc1C)Cl 270004a_100015525214_100000766358 [0,2,0,0,0,0|1,0,1]=4 3437 B12R1.69 CCNCc1ccc(cc1C)Cl 34a_103436540063_100000210202 [0,2,0,0,0,0|1,0,1]=4 3438 B12R1.69 CCNCc1ccc(cc1C)F 207a_100015525214_100000745986 [0,2,0,0,0,0|1,0,1]=4 3439 B12R1.69 CCNCc1ccc(cc1C)F 2230a_100015525214_100000700533 [0,2,0,0,0,0|1,0,1]=4 3440 B12R1.69 CCNCc1ccc(cc1C)F 270004a_100015525214_100000745986 [0,2,0,0,0,0|1,0,1]=4 3441 B12R1.69 CCNCc1ccc(cc1C)F 34a_100137329023_100000210202 [0,2,0,0,0,0|1,0,1]=4 3442 B12R1.69 CCNCc1ccc(cc1Cl)Br 207a_100015525214_100000764164 [0,2,0,0,0,0|1,0,1]=4 3443 B12R1.69 CCNCc1ccc(cc1Cl)Br 2230a_100015525214_100011740631 [0,2,0,0,0,0|1,0,1]=4 3444 B12R1.69 CCNCc1ccc(cc1Cl)Br 270004a_100015525214_100000764164 [0,2,0,0,0,0|1,0,1]=4 3445 B12R1.69 CCNCc1ccc(cc1Cl)Br 34a_100020628970_100000210202 [0,2,0,0,0,0|1,0,1]=4 3446 B12R1.69 CCNCc1ccc(cc1Cl)C 207a_100015525214_100011935181 [0,2,0,0,0,0|1,0,1]=4 3447 B12R1.69 CCNCc1ccc(cc1Cl)C 2230a_100015525214_100012349684 [0,2,0,0,0,0|1,0,1]=4 3448 B12R1.69 CCNCc1ccc(cc1Cl)C 270004a_100015525214_100011935181 [0,2,0,0,0,0|1,0,1]=4 3449 B12R1.69 CCNCc1ccc(cc1Cl)C 34a_100011997539_100000210202 [0,2,0,0,0,0|1,0,1]=4 3450 B12R1.69 CCNCc1ccc(cc1Cl)Cl 207a_100015525214_100000188887 [0,2,0,0,0,0|1,0,1]=4 3451 B12R1.69 CCNCc1ccc(cc1Cl)Cl 2230a_100015525214_100000188473 [0,2,0,0,0,0|1,0,1]=4 3452 B12R1.69 CCNCc1ccc(cc1Cl)Cl 270004a_100015525214_100000188887 [0,2,0,0,0,0|1,0,1]=4 3453 B12R1.69 CCNCc1ccc(cc1Cl)Cl 34a_100000174880_100000210202 [0,2,0,0,0,0|1,0,1]=4 3454 B12R1.69 CCNCc1ccc(cc1Cl)F 207a_100015525214_100000752949 [0,2,0,0,0,0|1,0,1]=4 3455 B12R1.69 CCNCc1ccc(cc1Cl)F 2230a_100015525214_100011216360 [0,2,0,0,0,0|1,0,1]=4 3456 B12R1.69 CCNCc1ccc(cc1Cl)F 270004a_100015525214_100000752949 [0,2,0,0,0,0|1,0,1]=4 3457 B12R1.69 CCNCc1ccc(cc1Cl)F 34a_100000174946_100000210202 [0,2,0,0,0,0|1,0,1]=4 3458 B12R1.69 CCNCc1ccc(cc1Cl)I 207a_100015525214_100000727542 [0,2,0,0,0,0|1,0,1]=4 3459 B12R1.69 CCNCc1ccc(cc1Cl)O 34a_200161156549_100000210202 [0,2,0,0,0,0|1,0,1]=4 3460 B12R1.69 CCNCc1ccc(cc1F)Br 207a_100015525214_100000211676 [0,2,0,0,0,0|1,0,1]=4 3461 B12R1.69 CCNCc1ccc(cc1F)Br 2230a_100015525214_100000211606 [0,2,0,0,0,0|1,0,1]=4 3462 B12R1.69 CCNCc1ccc(cc1F)Br 270004a_100015525214_100000211676 [0,2,0,0,0,0|1,0,1]=4 3463 B12R1.69 CCNCc1ccc(cc1F)Br 34a_100000754580_100000210202 [0,2,0,0,0,0|1,0,1]=4 3464 B12R1.69 CCNCc1ccc(cc1F)C 207a_100015525214_100011217368 [0,2,0,0,0,0|1,0,1]=4 3465 B12R1.69 CCNCc1ccc(cc1F)C 2230a_100015525214_100011217900 [0,2,0,0,0,0|1,0,1]=4 3466 B12R1.69 CCNCc1ccc(cc1F)C 270004a_100015525214_100011217368 [0,2,0,0,0,0|1,0,1]=4 3467 B12R1.69 CCNCc1ccc(cc1F)C 34a_100102887089_100000210202 [0,2,0,0,0,0|1,0,1]=4 3468 B12R1.69 CCNCc1ccc(cc1F)Cl 207a_100015525214_100000697372 [0,2,0,0,0,0|1,0,1]=4 3469 B12R1.69 CCNCc1ccc(cc1F)Cl 2230a_100015525214_100000709361 [0,2,0,0,0,0|1,0,1]=4 3470 B12R1.69 CCNCc1ccc(cc1F)Cl 270004a_100015525214_100000697372 [0,2,0,0,0,0|1,0,1]=4 3471 B12R1.69 CCNCc1ccc(cc1F)Cl 34a_100000708496_100000210202 [0,2,0,0,0,0|1,0,1]=4 3472 B12R1.69 CCNCc1ccc(cc1F)F 207a_100015525214_100000211964 [0,2,0,0,0,0|1,0,1]=4 3473 B12R1.69 CCNCc1ccc(cc1F)F 2230a_100015525214_100000748237 [0,2,0,0,0,0|1,0,1]=4 3474 B12R1.69 CCNCc1ccc(cc1F)F 270004a_100015525214_100000211964 [0,2,0,0,0,0|1,0,1]=4 3475 B12R1.69 CCNCc1ccc(cc1F)F 34a_100000737868_100000210202 [0,2,0,0,0,0|1,0,1]=4 3476 B12R1.69 CCNCc1ccc(cc1F)I 207a_100015525214_100000050965 [0,2,0,0,0,0|1,0,1]=4 3477 B12R1.69 CCNCc1ccc(cc1F)I 2230a_100015525214_100010244991 [0,2,0,0,0,0|1,0,1]=4 3478 B12R1.69 CCNCc1ccc(cc1I)Br 207a_100015525214_100010146562 [0,2,0,0,0,0|1,0,1]=4 3479 B12R1.69 CCNCc1ccc(cc1I)Br 2230a_100015525214_100010146615 [0,2,0,0,0,0|1,0,1]=4 3480 B12R1.69 CCNCc1ccc(cc1I)Br 270004a_100015525214_100010146562 [0,2,0,0,0,0|1,0,1]=4 3481 B12R1.69 CCNCc1ccc(cc1I)C 207a_100015525214_100010150104 [0,2,0,0,0,0|1,0,1]=4 3482 B12R1.69 CCNCc1ccc(cc1I)C 270004a_100015525214_100010150104 [0,2,0,0,0,0|1,0,1]=4 3483 B12R1.69 CCNCc1ccc(cc1I)Cl 2230a_100015525214_100010254388 [0,2,0,0,0,0|1,0,1]=4 3484 B12R1.69 CCNCc1ccc(cc1I)F 207a_100015525214_100010254405 [0,2,0,0,0,0|1,0,1]=4 3485 B12R1.69 CCNCc1ccc(cc1I)F 2230a_100015525214_100012354799 [0,2,0,0,0,0|1,0,1]=4 3486 B12R1.69 Cc1cc(ccc1CNCF)Br 34a_100000753881_100015361967 [0,2,0,0,0,0|1,0,1]=4 3487 B12R1.69 Cc1cc(ccc1CNCF)Cl 34a_103436540063_100015361967 [0,2,0,0,0,0|1,0,1]=4 3488 B12R1.69 Cc1cc(ccc1CNCF)F 34a_100137329023_100015361967 [0,2,0,0,0,0|1,0,1]=4 3489 B12R1.69 Cc1cc(ccc1NCC=O)Br 34a_100000211769_200009817547 [0,2,0,0,0,0|2,0,0]=4 3490 B12R1.69 Cc1cc(ccc1NCC=O)Br 7a_100000211769_200015260668 [0,2,0,0,0,0|2,0,0]=4 3491 B12R1.69 Cc1cc(ccc1NCC=O)Cl 34a_100000210418_200009817547 [0,2,0,0,0,0|2,0,0]=4 3492 B12R1.69 Cc1cc(ccc1NCC=O)Cl 7a_100000210418_200015260668 [0,2,0,0,0,0|2,0,0]=4 3493 B12R1.69 Cc1cc(ccc1NCC=O)F 34a_100000211637_200009817547 [0,2,0,0,0,0|2,0,0]=4 3494 B12R1.69 Cc1cc(ccc1NCC=O)F 7a_100000211637_200015260668 [0,2,0,0,0,0|2,0,0]=4 3495 B12R1.69 Cc1cc(ccc1NCC=O)I 34a_100000184554_200009817547 [0,2,0,0,0,0|2,0,0]=4 3496 B12R1.69 Cc1cc(ccc1NCC=O)I 7a_100000184554_200015260668 [0,2,0,0,0,0|2,0,0]=4 3497 B12R1.69 Cc1cc(ccc1NCC=O)O 34a_100000756630_200009817547 [0,2,0,0,0,0|2,0,0]=4 3498 B12R1.69 Cc1cc(ccc1OCC=O)Br 34a_100000186361_200009817547 [0,2,0,0,0,0|2,0,0]=4 3499 B12R1.69 Cc1cc(ccc1OCC=O)Br 7a_100000186361_200015260668 [0,2,0,0,0,0|2,0,0]=4 3500 B12R1.69 Cc1cc(ccc1OCC=O)Cl 34a_100000211091_200009817547 [0,2,0,0,0,0|2,0,0]=4 3501 B12R1.69 Cc1cc(ccc1OCC=O)Cl 7a_100000211091_200015260668 [0,2,0,0,0,0|2,0,0]=4 3502 B12R1.69 Cc1cc(ccc1OCC=O)F 34a_100000764316_200009817547 [0,2,0,0,0,0|2,0,0]=4 3503 B12R1.69 Cc1cc(ccc1OCC=O)F 7a_100000764316_200015260668 [0,2,0,0,0,0|2,0,0]=4 3504 B12R1.69 Cc1cc(ccc1OCC=O)I 34a_100011218673_200009817547 [0,2,0,0,0,0|2,0,0]=4 3505 B12R1.69 Cc1cc(ccc1OCC=O)I 7a_100011218673_200015260668 [0,2,0,0,0,0|2,0,0]=4 3506 B12R1.69 Cc1cc(ccc1OCC=O)N 34a_100011218179_200009817547 [0,2,0,0,0,0|2,0,0]=4 3507 B12R1.69 Cc1cc(ccc1OCC=O)N 7a_100011218179_200015260668 [0,2,0,0,0,0|2,0,0]=4 3508 B12R1.69 Cc1cc(ccc1SCC=O)Br 62a_100000701812_200015260668 [0,2,0,0,0,0|2,0,0]=4 3509 B12R1.69 Cc1cc(ccc1SCC=O)Br 62a_200015260668_100000701812 [0,2,0,0,0,0|2,0,0]=4 3510 B12R1.69 Cc1cc(ccc1SCC=O)Cl 62a_100011219607_200015260668 [0,2,0,0,0,0|2,0,0]=4 3511 B12R1.69 Cc1cc(ccc1SCC=O)Cl 62a_200015260668_100011219607 [0,2,0,0,0,0|2,0,0]=4 3512 B12R1.69 Cc1cc(ccc1SCC=O)F 62a_100011205405_200015260668 [0,2,0,0,0,0|2,0,0]=4 3513 B12R1.69 Cc1cc(ccc1SCC=O)F 62a_200015260668_100011205405 [0,2,0,0,0,0|2,0,0]=4 3514 B12R1.69 Cc1cc(ccc1SCC=O)N 62a_100000210723_200015260668 [0,2,0,0,0,0|2,0,0]=4 3515 B12R1.69 Cc1cc(ccc1SCC=O)N 62a_200015260668_100000210723 [0,2,0,0,0,0|2,0,0]=4 3516 B12R1.69 Cc1cc(ccc1SCC=O)O 62a_200015260668_100000690111 [0,2,0,0,0,0|2,0,0]=4 3517 B12R1.69 Cc1ccc(c(c1)Br)NCC=O 34a_100000210942_200009817547 [0,2,0,0,0,0|2,0,0]=4 3518 B12R1.69 Cc1ccc(c(c1)Br)OCC=O 34a_100000210800_200009817547 [0,2,0,0,0,0|2,0,0]=4 3519 B12R1.69 Cc1ccc(c(c1)Br)OCC=O 7a_100000210800_200015260668 [0,2,0,0,0,0|2,0,0]=4 3520 B12R1.69 Cc1ccc(c(c1)Br)SCC=O 62a_100009813563_200015260668 [0,2,0,0,0,0|2,0,0]=4 3521 B12R1.69 Cc1ccc(c(c1)Br)SCC=O 62a_200015260668_100009813563 [0,2,0,0,0,0|2,0,0]=4 3522 B12R1.69 Cc1ccc(c(c1)C)CNCF 34a_100000737523_100015361967 [0,2,0,0,0,0|1,0,1]=4 3523 B12R1.69 Cc1ccc(c(c1)C)NCC=O 34a_100000736561_200009817547 [0,2,0,0,0,0|2,0,0]=4 3524 B12R1.69 Cc1ccc(c(c1)C)NCC=O 7a_100000736561_200015260668 [0,2,0,0,0,0|2,0,0]=4 3525 B12R1.69 Cc1ccc(c(c1)C)OCC=O 34a_100000211776_200009817547 [0,2,0,0,0,0|2,0,0]=4 3526 B12R1.69 Cc1ccc(c(c1)C)OCC=O 7a_100000211776_200015260668 [0,2,0,0,0,0|2,0,0]=4 3527 B12R1.69 Cc1ccc(c(c1)C)SCC=O 62a_100011217332_200015260668 [0,2,0,0,0,0|2,0,0]=4 3528 B12R1.69 Cc1ccc(c(c1)C)SCC=O 62a_200015260668_100011217332 [0,2,0,0,0,0|2,0,0]=4 3529 B12R1.69 Cc1ccc(c(c1)Cl)CNCF 34a_100011997539_100015361967 [0,2,0,0,0,0|1,0,1]=4 3530 B12R1.69 Cc1ccc(c(c1)Cl)NCC=O 34a_100000210522_200009817547 [0,2,0,0,0,0|2,0,0]=4 3531 B12R1.69 Cc1ccc(c(c1)Cl)OCC=O 34a_100000749699_200009817547 [0,2,0,0,0,0|2,0,0]=4 3532 B12R1.69 Cc1ccc(c(c1)Cl)OCC=O 7a_100000749699_200015260668 [0,2,0,0,0,0|2,0,0]=4 3533 B12R1.69 Cc1ccc(c(c1)Cl)SCC=O 62a_100011263221_200015260668 [0,2,0,0,0,0|2,0,0]=4 3534 B12R1.69 Cc1ccc(c(c1)Cl)SCC=O 62a_200015260668_100011263221 [0,2,0,0,0,0|2,0,0]=4 3535 B12R1.69 Cc1ccc(c(c1)F)CNCF 34a_100102887089_100015361967 [0,2,0,0,0,0|1,0,1]=4 3536 B12R1.69 Cc1ccc(c(c1)F)NCC=O 34a_100000211023_200009817547 [0,2,0,0,0,0|2,0,0]=4 3537 B12R1.69 Cc1ccc(c(c1)F)OCC=O 34a_100011216688_200009817547 [0,2,0,0,0,0|2,0,0]=4 3538 B12R1.69 Cc1ccc(c(c1)F)OCC=O 7a_100011216688_200015260668 [0,2,0,0,0,0|2,0,0]=4 3539 B12R1.69 Cc1ccc(c(c1)F)SCC=O 62a_100011216119_200015260668 [0,2,0,0,0,0|2,0,0]=4 3540 B12R1.69 Cc1ccc(c(c1)F)SCC=O 62a_200015260668_100011216119 [0,2,0,0,0,0|2,0,0]=4 3541 B12R1.69 Cc1ccc(c(c1)I)NCC=O 34a_100011356834_200009817547 [0,2,0,0,0,0|2,0,0]=4 3542 B12R1.69 Cc1ccc(c(c1)I)OCC=O 34a_100000765521_200009817547 [0,2,0,0,0,0|2,0,0]=4 3543 B12R1.69 Cc1ccc(c(c1)I)OCC=O 7a_100000765521_200015260668 [0,2,0,0,0,0|2,0,0]=4 3544 B12R1.69 Cc1ccc(c(c1)N)OCC=O 34a_100011215204_200009817547 [0,2,0,0,0,0|2,0,0]=4 3545 B12R1.69 Cc1ccc(c(c1)N)OCC=O 7a_100011215204_200015260668 [0,2,0,0,0,0|2,0,0]=4 3546 B12R1.69 Cc1ccc(c(c1)N)SCC=O 62a_100011216686_200015260668 [0,2,0,0,0,0|2,0,0]=4 3547 B12R1.69 Cc1ccc(c(c1)N)SCC=O 62a_200015260668_100011216686 [0,2,0,0,0,0|2,0,0]=4 3548 B12R1.69 Cc1ccc(c(c1)O)NCC=O 34a_100000211527_200009817547 [0,2,0,0,0,0|2,0,0]=4 3549 B12R1.69 Cc1ccc(c(c1)O)SCC=O 62a_100012002257_200015260668 [0,2,0,0,0,0|2,0,0]=4 3550 B12R1.69 Cc1ccc(c(c1)O)SCC=O 62a_200015260668_100012002257 [0,2,0,0,0,0|2,0,0]=4 3551 B12R1.69 FCNCc1ccc(cc1Br)Cl 34a_100102692131_100015361967 [0,2,0,0,0,0|1,0,1]=4 3552 B12R1.69 FCNCc1ccc(cc1Br)F 34a_100000708791_100015361967 [0,2,0,0,0,0|1,0,1]=4 3553 B12R1.69 FCNCc1ccc(cc1Cl)Br 34a_100020628970_100015361967 [0,2,0,0,0,0|1,0,1]=4 3554 B12R1.69 FCNCc1ccc(cc1Cl)Cl 34a_100000174880_100015361967 [0,2,0,0,0,0|1,0,1]=4 3555 B12R1.69 FCNCc1ccc(cc1Cl)F 34a_100000174946_100015361967 [0,2,0,0,0,0|1,0,1]=4 3556 B12R1.69 FCNCc1ccc(cc1F)Br 34a_100000754580_100015361967 [0,2,0,0,0,0|1,0,1]=4 3557 B12R1.69 FCNCc1ccc(cc1F)Cl 34a_100000708496_100015361967 [0,2,0,0,0,0|1,0,1]=4 3558 B12R1.69 FCNCc1ccc(cc1F)F 34a_100000737868_100015361967 [0,2,0,0,0,0|1,0,1]=4 3559 B12R1.69 Nc1cc(ccc1OCC=O)Br 34a_100000752626_200009817547 [0,2,0,0,0,0|2,0,0]=4 3560 B12R1.69 Nc1cc(ccc1OCC=O)Br 7a_100000752626_200015260668 [0,2,0,0,0,0|2,0,0]=4 3561 B12R1.69 Nc1cc(ccc1OCC=O)Cl 34a_100000210500_200009817547 [0,2,0,0,0,0|2,0,0]=4 3562 B12R1.69 Nc1cc(ccc1OCC=O)Cl 7a_100000210500_200015260668 [0,2,0,0,0,0|2,0,0]=4 3563 B12R1.69 Nc1cc(ccc1OCC=O)F 34a_100000759472_200009817547 [0,2,0,0,0,0|2,0,0]=4 3564 B12R1.69 Nc1cc(ccc1OCC=O)F 7a_100000759472_200015260668 [0,2,0,0,0,0|2,0,0]=4 3565 B12R1.69 Nc1cc(ccc1OCC=O)I 34a_100000753495_200009817547 [0,2,0,0,0,0|2,0,0]=4 3566 B12R1.69 Nc1cc(ccc1OCC=O)I 7a_100000753495_200015260668 [0,2,0,0,0,0|2,0,0]=4 3567 B12R1.69 Nc1cc(ccc1SCC=O)Br 62a_100000743836_200015260668 [0,2,0,0,0,0|2,0,0]=4 3568 B12R1.69 Nc1cc(ccc1SCC=O)Br 62a_200015260668_100000743836 [0,2,0,0,0,0|2,0,0]=4 3569 B12R1.69 Nc1cc(ccc1SCC=O)Cl 62a_100000761886_200015260668 [0,2,0,0,0,0|2,0,0]=4 3570 B12R1.69 Nc1cc(ccc1SCC=O)Cl 62a_200015260668_100000761886 [0,2,0,0,0,0|2,0,0]=4 3571 B12R1.69 Nc1cc(ccc1SCC=O)F 62a_100000687223_200015260668 [0,2,0,0,0,0|2,0,0]=4 3572 B12R1.69 Nc1cc(ccc1SCC=O)F 62a_200015260668_100000687223 [0,2,0,0,0,0|2,0,0]=4 3573 B12R1.69 Nc1cc(ccc1SCC=O)O 62a_100011999798_200015260668 [0,2,0,0,0,0|2,0,0]=4 3574 B12R1.69 Nc1cc(ccc1SCC=O)O 62a_200015260668_100011999798 [0,2,0,0,0,0|2,0,0]=4 3575 B12R1.69 Nc1ccc(c(c1)Br)OCC=O 34a_100011534360_200009817547 [0,2,0,0,0,0|2,0,0]=4 3576 B12R1.69 Nc1ccc(c(c1)Br)OCC=O 7a_100011534360_200015260668 [0,2,0,0,0,0|2,0,0]=4 3577 B12R1.69 Nc1ccc(c(c1)Br)SCC=O 62a_100000750458_200015260668 [0,2,0,0,0,0|2,0,0]=4 3578 B12R1.69 Nc1ccc(c(c1)Br)SCC=O 62a_200015260668_100000750458 [0,2,0,0,0,0|2,0,0]=4 3579 B12R1.69 Nc1ccc(c(c1)Cl)OCC=O 34a_100000744943_200009817547 [0,2,0,0,0,0|2,0,0]=4 3580 B12R1.69 Nc1ccc(c(c1)Cl)OCC=O 7a_100000744943_200015260668 [0,2,0,0,0,0|2,0,0]=4 3581 B12R1.69 Nc1ccc(c(c1)Cl)SCC=O 62a_100000761885_200015260668 [0,2,0,0,0,0|2,0,0]=4 3582 B12R1.69 Nc1ccc(c(c1)Cl)SCC=O 62a_200015260668_100000761885 [0,2,0,0,0,0|2,0,0]=4 3583 B12R1.69 Nc1ccc(c(c1)F)OCC=O 34a_100011220035_200009817547 [0,2,0,0,0,0|2,0,0]=4 3584 B12R1.69 Nc1ccc(c(c1)F)OCC=O 7a_100011220035_200015260668 [0,2,0,0,0,0|2,0,0]=4 3585 B12R1.69 Nc1ccc(c(c1)F)SCC=O 62a_100011356925_200015260668 [0,2,0,0,0,0|2,0,0]=4 3586 B12R1.69 Nc1ccc(c(c1)F)SCC=O 62a_200015260668_100011356925 [0,2,0,0,0,0|2,0,0]=4 3587 B12R1.69 Nc1ccc(c(c1)N)OCC=O 34a_100000725306_200009817547 [0,2,0,0,0,0|2,0,0]=4 3588 B12R1.69 Nc1ccc(c(c1)N)SCC=O 62a_200012175722_200015260668 [0,2,0,0,0,0|2,0,0]=4 3589 B12R1.69 Nc1ccc(c(c1)N)SCC=O 62a_200015260668_200012175722 [0,2,0,0,0,0|2,0,0]=4 3590 B12R1.69 O=CCNc1ccc(cc1Br)Br 34a_100000211012_200009817547 [0,2,0,0,0,0|2,0,0]=4 3591 B12R1.69 O=CCNc1ccc(cc1Br)Cl 34a_100000752454_200009817547 [0,2,0,0,0,0|2,0,0]=4 3592 B12R1.69 O=CCNc1ccc(cc1Br)F 34a_100000738039_200009817547 [0,2,0,0,0,0|2,0,0]=4 3593 B12R1.69 O=CCNc1ccc(cc1Br)O 34a_100012001276_200009817547 [0,2,0,0,0,0|2,0,0]=4 3594 B12R1.69 O=CCNc1ccc(cc1Cl)Br 34a_100000211467_200009817547 [0,2,0,0,0,0|2,0,0]=4 3595 B12R1.69 O=CCNc1ccc(cc1Cl)Cl 34a_100000185861_200009817547 [0,2,0,0,0,0|2,0,0]=4 3596 B12R1.69 O=CCNc1ccc(cc1Cl)F 34a_100000212003_200009817547 [0,2,0,0,0,0|2,0,0]=4 3597 B12R1.69 O=CCNc1ccc(cc1Cl)I 34a_100011218065_200009817547 [0,2,0,0,0,0|2,0,0]=4 3598 B12R1.69 O=CCNc1ccc(cc1Cl)O 34a_100011215599_200009817547 [0,2,0,0,0,0|2,0,0]=4 3599 B12R1.69 O=CCNc1ccc(cc1F)Br 34a_100000210722_200009817547 [0,2,0,0,0,0|2,0,0]=4 3600 B12R1.69 O=CCNc1ccc(cc1F)Cl 34a_100000211020_200009817547 [0,2,0,0,0,0|2,0,0]=4 3601 B12R1.69 O=CCNc1ccc(cc1F)F 34a_100000210720_200009817547 [0,2,0,0,0,0|2,0,0]=4 3602 B12R1.69 O=CCNc1ccc(cc1F)I 34a_100011215594_200009817547 [0,2,0,0,0,0|2,0,0]=4 3603 B12R1.69 O=CCNc1ccc(cc1F)O 34a_100000759473_200009817547 [0,2,0,0,0,0|2,0,0]=4 3604 B12R1.69 O=CCNc1ccc(cc1I)Br 34a_100000187925_200009817547 [0,2,0,0,0,0|2,0,0]=4 3605 B12R1.69 O=CCNc1ccc(cc1I)Cl 34a_100000761889_200009817547 [0,2,0,0,0,0|2,0,0]=4 3606 B12R1.69 O=CCNc1ccc(cc1I)F 34a_100000760547_200009817547 [0,2,0,0,0,0|2,0,0]=4 3607 B12R1.69 O=CCNc1ccc(cc1I)O 34a_100010084370_200009817547 [0,2,0,0,0,0|2,0,0]=4 3608 B12R1.69 O=CCNc1ccc(cc1O)Br 34a_100000739049_200009817547 [0,2,0,0,0,0|2,0,0]=4 3609 B12R1.69 O=CCNc1ccc(cc1O)Cl 34a_100000185728_200009817547 [0,2,0,0,0,0|2,0,0]=4 3610 B12R1.69 O=CCNc1ccc(cc1O)F 34a_100000753323_200009817547 [0,2,0,0,0,0|2,0,0]=4 3611 B12R1.69 O=CCNc1ccc(cc1O)O 34a_100000106777_200009817547 [0,2,0,0,0,0|2,0,0]=4 3612 B12R1.69 O=CCOc1ccc(cc1Br)Br 34a_100000188717_200009817547 [0,2,0,0,0,0|2,0,0]=4 3613 B12R1.69 O=CCOc1ccc(cc1Br)Br 7a_100000188717_200015260668 [0,2,0,0,0,0|2,0,0]=4 3614 B12R1.69 O=CCOc1ccc(cc1Br)Cl 34a_100000211998_200009817547 [0,2,0,0,0,0|2,0,0]=4 3615 B12R1.69 O=CCOc1ccc(cc1Br)Cl 7a_100000211998_200015260668 [0,2,0,0,0,0|2,0,0]=4 3616 B12R1.69 O=CCOc1ccc(cc1Br)F 34a_100000211999_200009817547 [0,2,0,0,0,0|2,0,0]=4 3617 B12R1.69 O=CCOc1ccc(cc1Br)F 7a_100000211999_200015260668 [0,2,0,0,0,0|2,0,0]=4 3618 B12R1.69 O=CCOc1ccc(cc1Br)I 34a_100012361655_200009817547 [0,2,0,0,0,0|2,0,0]=4 3619 B12R1.69 O=CCOc1ccc(cc1Br)I 7a_100012361655_200015260668 [0,2,0,0,0,0|2,0,0]=4 3620 B12R1.69 O=CCOc1ccc(cc1Cl)Br 34a_100000186472_200009817547 [0,2,0,0,0,0|2,0,0]=4 3621 B12R1.69 O=CCOc1ccc(cc1Cl)Br 7a_100000186472_200015260668 [0,2,0,0,0,0|2,0,0]=4 3622 B12R1.69 O=CCOc1ccc(cc1Cl)Cl 34a_100015191787_200009817547 [0,2,0,0,0,0|2,0,0]=4 3623 B12R1.69 O=CCOc1ccc(cc1Cl)Cl 7a_100015191787_200015260668 [0,2,0,0,0,0|2,0,0]=4 3624 B12R1.69 O=CCOc1ccc(cc1Cl)F 34a_100000212004_200009817547 [0,2,0,0,0,0|2,0,0]=4 3625 B12R1.69 O=CCOc1ccc(cc1Cl)F 7a_100000212004_200015260668 [0,2,0,0,0,0|2,0,0]=4 3626 B12R1.69 O=CCOc1ccc(cc1Cl)I 34a_100012360047_200009817547 [0,2,0,0,0,0|2,0,0]=4 3627 B12R1.69 O=CCOc1ccc(cc1Cl)I 7a_100012360047_200015260668 [0,2,0,0,0,0|2,0,0]=4 3628 B12R1.69 O=CCOc1ccc(cc1F)Br 34a_100000185481_200009817547 [0,2,0,0,0,0|2,0,0]=4 3629 B12R1.69 O=CCOc1ccc(cc1F)Br 7a_100000185481_200015260668 [0,2,0,0,0,0|2,0,0]=4 3630 B12R1.69 O=CCOc1ccc(cc1F)Cl 34a_100000230166_200009817547 [0,2,0,0,0,0|2,0,0]=4 3631 B12R1.69 O=CCOc1ccc(cc1F)Cl 7a_100000230166_200015260668 [0,2,0,0,0,0|2,0,0]=4 3632 B12R1.69 O=CCOc1ccc(cc1F)F 34a_100000230127_200009817547 [0,2,0,0,0,0|2,0,0]=4 3633 B12R1.69 O=CCOc1ccc(cc1F)F 7a_100000230127_200015260668 [0,2,0,0,0,0|2,0,0]=4 3634 B12R1.69 O=CCOc1ccc(cc1F)I 34a_100011356965_200009817547 [0,2,0,0,0,0|2,0,0]=4 3635 B12R1.69 O=CCOc1ccc(cc1F)I 7a_100011356965_200015260668 [0,2,0,0,0,0|2,0,0]=4 3636 B12R1.69 O=CCOc1ccc(cc1I)Br 34a_100012355227_200009817547 [0,2,0,0,0,0|2,0,0]=4 3637 B12R1.69 O=CCOc1ccc(cc1I)Br 7a_100012355227_200015260668 [0,2,0,0,0,0|2,0,0]=4 3638 B12R1.69 O=CCOc1ccc(cc1I)Cl 34a_100011356953_200009817547 [0,2,0,0,0,0|2,0,0]=4 3639 B12R1.69 O=CCOc1ccc(cc1I)Cl 7a_100011356953_200015260668 [0,2,0,0,0,0|2,0,0]=4 3640 B12R1.69 O=CCOc1ccc(cc1I)F 34a_100012355409_200009817547 [0,2,0,0,0,0|2,0,0]=4 3641 B12R1.69 O=CCOc1ccc(cc1I)F 7a_100012355409_200015260668 [0,2,0,0,0,0|2,0,0]=4 3642 B12R1.69 O=CCOc1ccc(cc1I)I 7a_100010001573_200015260668 [0,2,0,0,0,0|2,0,0]=4 3643 B12R1.69 O=CCSc1ccc(cc1Br)Br 62a_100011484698_200015260668 [0,2,0,0,0,0|2,0,0]=4 3644 B12R1.69 O=CCSc1ccc(cc1Br)Br 62a_200015260668_100011484698 [0,2,0,0,0,0|2,0,0]=4 3645 B12R1.69 O=CCSc1ccc(cc1Br)Cl 62a_100011219703_200015260668 [0,2,0,0,0,0|2,0,0]=4 3646 B12R1.69 O=CCSc1ccc(cc1Br)Cl 62a_200015260668_100011219703 [0,2,0,0,0,0|2,0,0]=4 3647 B12R1.69 O=CCSc1ccc(cc1Br)F 62a_100011217111_200015260668 [0,2,0,0,0,0|2,0,0]=4 3648 B12R1.69 O=CCSc1ccc(cc1Br)F 62a_200015260668_100011217111 [0,2,0,0,0,0|2,0,0]=4 3649 B12R1.69 O=CCSc1ccc(cc1Br)O 62a_100000701344_200015260668 [0,2,0,0,0,0|2,0,0]=4 3650 B12R1.69 O=CCSc1ccc(cc1Br)O 62a_200015260668_100000701344 [0,2,0,0,0,0|2,0,0]=4 3651 B12R1.69 O=CCSc1ccc(cc1Cl)Br 62a_100011216062_200015260668 [0,2,0,0,0,0|2,0,0]=4 3652 B12R1.69 O=CCSc1ccc(cc1Cl)Br 62a_200015260668_100011216062 [0,2,0,0,0,0|2,0,0]=4 3653 B12R1.69 O=CCSc1ccc(cc1Cl)Cl 62a_100000699841_200015260668 [0,2,0,0,0,0|2,0,0]=4 3654 B12R1.69 O=CCSc1ccc(cc1Cl)Cl 62a_200015260668_100000699841 [0,2,0,0,0,0|2,0,0]=4 3655 B12R1.69 O=CCSc1ccc(cc1Cl)F 62a_100000733362_200015260668 [0,2,0,0,0,0|2,0,0]=4 3656 B12R1.69 O=CCSc1ccc(cc1Cl)F 62a_200015260668_100000733362 [0,2,0,0,0,0|2,0,0]=4 3657 B12R1.69 O=CCSc1ccc(cc1Cl)O 62a_100000047559_200015260668 [0,2,0,0,0,0|2,0,0]=4 3658 B12R1.69 O=CCSc1ccc(cc1Cl)O 62a_200015260668_100000047559 [0,2,0,0,0,0|2,0,0]=4 3659 B12R1.69 O=CCSc1ccc(cc1F)Br 62a_100009814013_200015260668 [0,2,0,0,0,0|2,0,0]=4 3660 B12R1.69 O=CCSc1ccc(cc1F)Br 62a_200015260668_100009814013 [0,2,0,0,0,0|2,0,0]=4 3661 B12R1.69 O=CCSc1ccc(cc1F)Cl 62a_100011216042_200015260668 [0,2,0,0,0,0|2,0,0]=4 3662 B12R1.69 O=CCSc1ccc(cc1F)Cl 62a_200015260668_100011216042 [0,2,0,0,0,0|2,0,0]=4 3663 B12R1.69 O=CCSc1ccc(cc1F)F 62a_100000750030_200015260668 [0,2,0,0,0,0|2,0,0]=4 3664 B12R1.69 O=CCSc1ccc(cc1F)F 62a_200015260668_100000750030 [0,2,0,0,0,0|2,0,0]=4 3665 B12R1.69 O=CCSc1ccc(cc1F)O 62a_100000755031_200015260668 [0,2,0,0,0,0|2,0,0]=4 3666 B12R1.69 O=CCSc1ccc(cc1F)O 62a_200015260668_100000755031 [0,2,0,0,0,0|2,0,0]=4 3667 B12R1.69 O=CCSc1ccc(cc1O)Br 62a_100012344904_200015260668 [0,2,0,0,0,0|2,0,0]=4 3668 B12R1.69 O=CCSc1ccc(cc1O)Br 62a_200015260668_100012344904 [0,2,0,0,0,0|2,0,0]=4 3669 B12R1.69 O=CCSc1ccc(cc1O)Cl 62a_100000050036_200015260668 [0,2,0,0,0,0|2,0,0]=4 3670 B12R1.69 O=CCSc1ccc(cc1O)Cl 62a_200015260668_100000050036 [0,2,0,0,0,0|2,0,0]=4 3671 B12R1.69 O=CCSc1ccc(cc1O)F 62a_100000690578_200015260668 [0,2,0,0,0,0|2,0,0]=4 3672 B12R1.69 O=CCSc1ccc(cc1O)F 62a_200015260668_100000690578 [0,2,0,0,0,0|2,0,0]=4 3673 B12R1.69 O=CCSc1ccc(cc1O)O 62a_200015260668_100009813921 [0,2,0,0,0,0|2,0,0]=4 3674 B12R1.69 Oc1ccc(c(c1)Cl)CNCF 34a_200161156549_100015361967 [0,2,0,0,0,0|1,0,1]=4 3675 B12R1.71 C#Cc1ccc(cc1)CNCC 207a_100015525214_100011361452 [0,2,0,0,0,0|1,0,1]=4 3676 B12R1.71 C#Cc1ccc(cc1)CNCC 2230a_100015199678_100000210202 [0,2,0,0,0,0|1,0,1]=4 3677 B12R1.71 C#Cc1ccc(cc1)CNCC 2230a_100015525214_100000140223 [0,2,0,0,0,0|1,0,1]=4 3678 B12R1.71 C#Cc1ccc(cc1)CNCC 270004a_100015525214_100011361452 [0,2,0,0,0,0|1,0,1]=4 3679 B12R1.71 C#Cc1ccc(cc1)CNCC 34a_100015199678_100000210202 [0,2,0,0,0,0|1,0,1]=4 3680 B12R1.71 C#Cc1ccc(cc1)CNCF 34a_100015199678_100015361967 [0,2,0,0,0,0|1,0,1]=4 3681 B12R1.71 C#Cc1ccc(cc1)NCC=O 34a_100011215031_200009817547 [0,2,0,0,0,0|2,0,0]=4 3682 B12R1.71 C=Cc1ccc(cc1)CCC=O 271570a_100011290941_100011361538 [0,2,0,0,0,0|1,0,0]=3 3683 B12R1.71 C=Cc1ccc(cc1)CNCC 2230a_100015525214_100000034074 [0,2,0,0,0,0|1,0,1]=4 3684 B12R1.71 C=Cc1ccc(cc1)CNCC 270004a_100015525214_100011361436 [0,2,0,0,0,0|1,0,1]=4 3685 B12R1.71 C=Cc1ccc(cc1)CNCC 271570a_100011290941_100000187385 [0,2,0,0,0,0|1,0,1]=4 3686 B12R1.71 C=Cc1ccc(cc1)CNCC 34a_200011934891_100000210202 [0,2,0,0,0,0|1,0,1]=4 3687 B12R1.71 C=Cc1ccc(cc1)CNCF 34a_200011934891_100015361967 [0,2,0,0,0,0|1,0,1]=4 3688 B12R1.71 C=Cc1ccc(cc1)NCC=O 34a_100011218248_200009817547 [0,2,0,0,0,0|2,0,0]=4 3689 B12R1.71 C=Cc1ccc(cc1)OCC=O 34a_100000189437_200009817547 [0,2,0,0,0,0|2,0,0]=4 3690 B12R1.71 C=Cc1ccc(cc1)OCC=O 7a_100000189437_200015260668 [0,2,0,0,0,0|2,0,0]=4 3691 B12R1.71 C=Cc1ccc(cc1)SCC=O 62a_100000748128_200015260668 [0,2,0,0,0,0|2,0,0]=4 3692 B12R1.71 C=Cc1ccc(cc1)SCC=O 62a_200015260668_100000748128 [0,2,0,0,0,0|2,0,0]=4 3693 B12R1.71 CCNCc1ccc(cc1)C#N 207a_100015525214_100000211122 [0,2,0,0,0,0|1,0,1]=4 3694 B12R1.71 CCNCc1ccc(cc1)C#N 2230a_100015525214_100000184898 [0,2,0,0,0,0|1,0,1]=4 3695 B12R1.71 CCNCc1ccc(cc1)C#N 270004a_100015525214_100000211122 [0,2,0,0,0,0|1,0,1]=4 3696 B12R1.71 CCNCc1ccc(cc1)C#N 34a_100015207190_100000210202 [0,2,0,0,0,0|1,0,1]=4 3697 B12R1.71 CCNCc1ccc(cc1)C=O 2230a_100015525214_100009816848 [0,2,0,0,0,0|1,0,1]=4 3698 B12R1.71 CCNCc1ccc(cc1)CC 207a_100015525214_100000211036 [0,2,0,0,0,0|1,0,1]=4 3699 B12R1.71 CCNCc1ccc(cc1)CC 2230a_100000721222_100000210202 [0,2,0,0,0,0|1,0,1]=4 3700 B12R1.71 CCNCc1ccc(cc1)CC 2230a_100015525214_100000747183 [0,2,0,0,0,0|1,0,1]=4 3701 B12R1.71 CCNCc1ccc(cc1)CC 270004a_100015525214_100000211036 [0,2,0,0,0,0|1,0,1]=4 3702 B12R1.71 CCNCc1ccc(cc1)CC 34a_100000721222_100000210202 [0,2,0,0,0,0|1,0,1]=4 3703 B12R1.71 CCNCc1ccc(cc1)CO 207a_100015525214_100009832023 [0,2,0,0,0,0|1,0,1]=4 3704 B12R1.71 CCNCc1ccc(cc1)CO 2230a_100015189231_100000210202 [0,2,0,0,0,0|1,0,1]=4 3705 B12R1.71 CCNCc1ccc(cc1)CO 2230a_100015525214_100000067286 [0,2,0,0,0,0|1,0,1]=4 3706 B12R1.71 CCNCc1ccc(cc1)CO 270004a_100015525214_100009832023 [0,2,0,0,0,0|1,0,1]=4 3707 B12R1.71 CCNCc1ccc(cc1)CO 34a_100015189231_100000210202 [0,2,0,0,0,0|1,0,1]=4 3708 B12R1.71 CCNCc1ccc(cc1)OC 207a_100015525214_100000169835 [0,2,0,0,0,0|1,0,1]=4 3709 B12R1.71 CCNCc1ccc(cc1)OC 2230a_100015525214_100000742318 [0,2,0,0,0,0|1,0,1]=4 3710 B12R1.71 CCNCc1ccc(cc1)OC 270004a_100015525214_100000169835 [0,2,0,0,0,0|1,0,1]=4 3711 B12R1.71 CCNCc1ccc(cc1)OC 34a_100000185587_100000210202 [0,2,0,0,0,0|1,0,1]=4 3712 B12R1.71 CCNCc1ccc(cc1)OC 34a_100000748449_200000210301 [0,2,0,0,0,0|1,0,1]=4 3713 B12R1.71 CCNCc1ccc(cc1)O[13CH3] 34a_100000748449_200025704644 [0,2,0,0,0,0|1,0,1]=4 3714 B12R1.71 CCNCc1ccc(cc1)SC 207a_100015525214_100000211154 [0,2,0,0,0,0|1,0,1]=4 3715 B12R1.71 CCNCc1ccc(cc1)SC 2230a_100000174980_100000210202 [0,2,0,0,0,0|1,0,1]=4 3716 B12R1.71 CCNCc1ccc(cc1)SC 2230a_100015525214_100000181263 [0,2,0,0,0,0|1,0,1]=4 3717 B12R1.71 CCNCc1ccc(cc1)SC 270004a_100015525214_100000211154 [0,2,0,0,0,0|1,0,1]=4 3718 B12R1.71 CCNCc1ccc(cc1)SC 34a_100000174980_100000210202 [0,2,0,0,0,0|1,0,1]=4 3719 B12R1.71 CCNCc1ccc(cc1)SC 62a_100000187385_200000210301 [0,2,0,0,0,0|1,0,1]=4 3720 B12R1.71 CCNCc1ccc(cc1)SC 62a_200000210301_100000187385 [0,2,0,0,0,0|1,0,1]=4 3721 B12R1.71 CCNCc1ccc(cc1)S[13CH3] 62a_100000187385_200025704644 [0,2,0,0,0,0|1,0,1]=4 3722 B12R1.71 CCNCc1ccc(cc1)S[13CH3] 62a_200025704644_100000187385 [0,2,0,0,0,0|1,0,1]=4 3723 B12R1.71 CCc1ccc(cc1)CNCF 34a_100000721222_100015361967 [0,2,0,0,0,0|1,0,1]=4 3724 B12R1.71 CCc1ccc(cc1)NCC=O 2230a_100000211069_200015260668 [0,2,0,0,0,0|2,0,0]=4 3725 B12R1.71 CCc1ccc(cc1)NCC=O 34a_100000211069_200009817547 [0,2,0,0,0,0|2,0,0]=4 3726 B12R1.71 CCc1ccc(cc1)OCC=O 34a_100000211359_200009817547 [0,2,0,0,0,0|2,0,0]=4 3727 B12R1.71 CCc1ccc(cc1)OCC=O 7a_100000211359_200015260668 [0,2,0,0,0,0|2,0,0]=4 3728 B12R1.71 CCc1ccc(cc1)SCC=O 62a_100011215824_200015260668 [0,2,0,0,0,0|2,0,0]=4 3729 B12R1.71 CCc1ccc(cc1)SCC=O 62a_200015260668_100011215824 [0,2,0,0,0,0|2,0,0]=4 3730 B12R1.71 CNc1ccc(cc1)OCC=O 34a_100000182112_200009817547 [0,2,0,0,0,0|2,0,0]=4 3731 B12R1.71 CNc1ccc(cc1)SCC=O 62a_100000743151_200015260668 [0,2,0,0,0,0|2,0,0]=4 3732 B12R1.71 CNc1ccc(cc1)SCC=O 62a_200015260668_100000743151 [0,2,0,0,0,0|2,0,0]=4 3733 B12R1.71 COc1ccc(cc1)CNCF 34a_100000185587_100015361967 [0,2,0,0,0,0|1,0,1]=4 3734 B12R1.71 COc1ccc(cc1)NCC=O 34a_100000184247_200009817547 [0,2,0,0,0,0|2,0,0]=4 3735 B12R1.71 COc1ccc(cc1)OCC=O 34a_100000210503_200009817547 [0,2,0,0,0,0|2,0,0]=4 3736 B12R1.71 COc1ccc(cc1)SCC=O 62a_200015260668_100000171711 [0,2,0,0,0,0|2,0,0]=4 3737 B12R1.71 CSc1ccc(cc1)/C=C/C=O 62a_100016291818_200000210301 [0,2,0,0,0,0|1,0,1]=4 3738 B12R1.71 CSc1ccc(cc1)/C=C/C=O 62a_200000210301_100016291818 [0,2,0,0,0,0|1,0,1]=4 3739 B12R1.71 CSc1ccc(cc1)CCC=O 62a_100011361538_200000210301 [0,2,0,0,0,0|1,0,0]=3 3740 B12R1.71 CSc1ccc(cc1)CCC=O 62a_200000210301_100011361538 [0,2,0,0,0,0|1,0,0]=3 3741 B12R1.71 CSc1ccc(cc1)CNCF 34a_100000174980_100015361967 [0,2,0,0,0,0|1,0,1]=4 3742 B12R1.71 CSc1ccc(cc1)NCC=O 34a_100000212337_200009817547 [0,2,0,0,0,0|2,0,0]=4 3743 B12R1.71 CSc1ccc(cc1)OCC=O 34a_100000211864_200009817547 [0,2,0,0,0,0|2,0,0]=4 3744 B12R1.71 CSc1ccc(cc1)SCC=O 62a_100011263217_200015260668 [0,2,0,0,0,0|2,0,0]=4 3745 B12R1.71 CSc1ccc(cc1)SCC=O 62a_200015260668_100011263217 [0,2,0,0,0,0|2,0,0]=4 3746 B12R1.71 N#Cc1ccc(cc1)CNCF 34a_100015207190_100015361967 [0,2,0,0,0,0|1,0,1]=4 3747 B12R1.71 N#Cc1ccc(cc1)NCC=O 34a_100000185469_200009817547 [0,2,0,0,0,0|2,0,0]=4 3748 B12R1.71 N#Cc1ccc(cc1)OCC=O 34a_100000210344_200009817547 [0,2,0,0,0,0|2,0,0]=4 3749 B12R1.71 N#Cc1ccc(cc1)OCC=O 7a_100000210344_200015260668 [0,2,0,0,0,0|2,0,0]=4 3750 B12R1.71 N#Cc1ccc(cc1)SCC=O 62a_200015260668_100000184291 [0,2,0,0,0,0|2,0,0]=4 3751 B12R1.71 NCc1ccc(cc1)OCC=O 34a_100000185549_200009817547 [0,2,0,0,0,0|2,0,0]=4 3752 B12R1.71 NCc1ccc(cc1)SCC=O 62a_100016989417_200015260668 [0,2,0,0,0,0|2,0,0]=4 3753 B12R1.71 NCc1ccc(cc1)SCC=O 62a_200015260668_100016989417 [0,2,0,0,0,0|2,0,0]=4 3754 B12R1.71 NNc1ccc(cc1)SCC=O 62a_100016988836_200015260668 [0,2,0,0,0,0|2,0,0]=4 3755 B12R1.71 NNc1ccc(cc1)SCC=O 62a_200015260668_100016988836 [0,2,0,0,0,0|2,0,0]=4 3756 B12R1.71 O=CCNc1ccc(cc1)CO 2230a_100011215238_200015260668 [0,2,0,0,0,0|2,0,0]=4 3757 B12R1.71 O=CCNc1ccc(cc1)CO 34a_100011215238_200009817547 [0,2,0,0,0,0|2,0,0]=4 3758 B12R1.71 O=CCOc1ccc(cc1)CO 34a_100000211755_200009817547 [0,2,0,0,0,0|2,0,0]=4 3759 B12R1.71 O=CCSc1ccc(cc1)C=O 62a_100000188517_200015260668 [0,2,0,0,0,0|2,0,0]=4 3760 B12R1.71 O=CCSc1ccc(cc1)C=O 62a_200015260668_100000188517 [0,2,0,0,0,0|2,0,0]=4 3761 B12R1.71 O=CCSc1ccc(cc1)CF 62a_100010268989_200015260668 [0,2,0,0,0,0|2,0,0]=4 3762 B12R1.71 O=CCSc1ccc(cc1)CF 62a_200015260668_100010268989 [0,2,0,0,0,0|2,0,0]=4 3763 B12R1.71 O=CCSc1ccc(cc1)CO 62a_100000690907_200015260668 [0,2,0,0,0,0|2,0,0]=4 3764 B12R1.71 O=CCSc1ccc(cc1)CO 62a_200015260668_100000690907 [0,2,0,0,0,0|2,0,0]=4 3765 B12R1.71 OCc1ccc(cc1)CNCF 34a_100015189231_100015361967 [0,2,0,0,0,0|1,0,1]=4 3766 B12R1.71 [13CH3]Sc1ccc(cc1)/C=C/C=O 62a_100016291818_200025704644 [0,2,0,0,0,0|1,0,1]=4 3767 B12R1.71 [13CH3]Sc1ccc(cc1)/C=C/C=O 62a_200025704644_100016291818 [0,2,0,0,0,0|1,0,1]=4 3768 B12R1.71 [13CH3]Sc1ccc(cc1)CCC=O 62a_100011361538_200025704644 [0,2,0,0,0,0|1,0,0]=3 3769 B12R1.71 [13CH3]Sc1ccc(cc1)CCC=O 62a_200025704644_100011361538 [0,2,0,0,0,0|1,0,0]=3 3770 B12R1.385 CCNCc1ccc(c(c1)Br)Br 207a_100015525214_100011215943 [0,2,0,0,0,0|1,0,1]=4 3771 B12R1.385 CCNCc1ccc(c(c1)Br)Br 2230a_100012351559_100000210202 [0,2,0,0,0,0|1,0,1]=4 3772 B12R1.385 CCNCc1ccc(c(c1)Br)Br 2230a_100015525214_100012353900 [0,2,0,0,0,0|1,0,1]=4 3773 B12R1.385 CCNCc1ccc(c(c1)Br)Br 270004a_100015525214_100011215943 [0,2,0,0,0,0|1,0,1]=4 3774 B12R1.385 CCNCc1ccc(c(c1)Br)Br 34a_100012351559_100000210202 [0,2,0,0,0,0|1,0,1]=4 3775 B12R1.385 CCNCc1ccc(c(c1)Br)C 207a_100015525214_100000695567 [0,2,0,0,0,0|1,0,1]=4 3776 B12R1.385 CCNCc1ccc(c(c1)Br)C 2230a_100015525214_100012232412 [0,2,0,0,0,0|1,0,1]=4 3777 B12R1.385 CCNCc1ccc(c(c1)Br)C 270004a_100015525214_100000695567 [0,2,0,0,0,0|1,0,1]=4 3778 B12R1.385 CCNCc1ccc(c(c1)Br)Cl 207a_100015525214_100000693810 [0,2,0,0,0,0|1,0,1]=4 3779 B12R1.385 CCNCc1ccc(c(c1)Br)Cl 2230a_100012349490_100000210202 [0,2,0,0,0,0|1,0,1]=4 3780 B12R1.385 CCNCc1ccc(c(c1)Br)Cl 2230a_100015525214_100012353894 [0,2,0,0,0,0|1,0,1]=4 3781 B12R1.385 CCNCc1ccc(c(c1)Br)Cl 270004a_100015525214_100000693810 [0,2,0,0,0,0|1,0,1]=4 3782 B12R1.385 CCNCc1ccc(c(c1)Br)Cl 34a_100012349490_100000210202 [0,2,0,0,0,0|1,0,1]=4 3783 B12R1.385 CCNCc1ccc(c(c1)Br)F 207a_100015525214_100000211747 [0,2,0,0,0,0|1,0,1]=4 3784 B12R1.385 CCNCc1ccc(c(c1)Br)F 2230a_100015193890_100000210202 [0,2,0,0,0,0|1,0,1]=4 3785 B12R1.385 CCNCc1ccc(c(c1)Br)F 2230a_100015525214_100011206884 [0,2,0,0,0,0|1,0,1]=4 3786 B12R1.385 CCNCc1ccc(c(c1)Br)F 270004a_100015525214_100000211747 [0,2,0,0,0,0|1,0,1]=4 3787 B12R1.385 CCNCc1ccc(c(c1)Br)F 34a_100015193890_100000210202 [0,2,0,0,0,0|1,0,1]=4 3788 B12R1.385 CCNCc1ccc(c(c1)C)Br 207a_100015525214_100000765772 [0,2,0,0,0,0|1,0,1]=4 3789 B12R1.385 CCNCc1ccc(c(c1)C)Br 2230a_100015205234_100000210202 [0,2,0,0,0,0|1,0,1]=4 3790 B12R1.385 CCNCc1ccc(c(c1)C)Br 2230a_100015525214_100000727479 [0,2,0,0,0,0|1,0,1]=4 3791 B12R1.385 CCNCc1ccc(c(c1)C)Br 270004a_100015525214_100000765772 [0,2,0,0,0,0|1,0,1]=4 3792 B12R1.385 CCNCc1ccc(c(c1)C)Br 34a_100015205234_100000210202 [0,2,0,0,0,0|1,0,1]=4 3793 B12R1.385 CCNCc1ccc(c(c1)C)C 207a_100015525214_100000229942 [0,2,0,0,0,0|1,0,1]=4 3794 B12R1.385 CCNCc1ccc(c(c1)C)C 2230a_100015525214_100000742320 [0,2,0,0,0,0|1,0,1]=4 3795 B12R1.385 CCNCc1ccc(c(c1)C)C 2230a_100025706692_100000210202 [0,2,0,0,0,0|1,0,1]=4 3796 B12R1.385 CCNCc1ccc(c(c1)C)C 270004a_100015525214_100000229942 [0,2,0,0,0,0|1,0,1]=4 3797 B12R1.385 CCNCc1ccc(c(c1)C)C 34a_100025706692_100000210202 [0,2,0,0,0,0|1,0,1]=4 3798 B12R1.385 CCNCc1ccc(c(c1)C)Cl 207a_100015525214_100000698814 [0,2,0,0,0,0|1,0,1]=4 3799 B12R1.385 CCNCc1ccc(c(c1)C)Cl 2230a_100015525214_100012184735 [0,2,0,0,0,0|1,0,1]=4 3800 B12R1.385 CCNCc1ccc(c(c1)C)Cl 270004a_100015525214_100000698814 [0,2,0,0,0,0|1,0,1]=4 3801 B12R1.385 CCNCc1ccc(c(c1)C)F 207a_100015525214_100000748208 [0,2,0,0,0,0|1,0,1]=4 3802 B12R1.385 CCNCc1ccc(c(c1)C)F 2230a_100000239911_100000210202 [0,2,0,0,0,0|1,0,1]=4 3803 B12R1.385 CCNCc1ccc(c(c1)C)F 2230a_100015525214_100011216667 [0,2,0,0,0,0|1,0,1]=4 3804 B12R1.385 CCNCc1ccc(c(c1)C)F 270004a_100015525214_100000748208 [0,2,0,0,0,0|1,0,1]=4 3805 B12R1.385 CCNCc1ccc(c(c1)C)F 34a_100000239911_100000210202 [0,2,0,0,0,0|1,0,1]=4 3806 B12R1.385 CCNCc1ccc(c(c1)Cl)Br 207a_100015525214_100000690054 [0,2,0,0,0,0|1,0,1]=4 3807 B12R1.385 CCNCc1ccc(c(c1)Cl)Br 2230a_100012362553_100000210202 [0,2,0,0,0,0|1,0,1]=4 3808 B12R1.385 CCNCc1ccc(c(c1)Cl)Br 2230a_100015525214_100012353895 [0,2,0,0,0,0|1,0,1]=4 3809 B12R1.385 CCNCc1ccc(c(c1)Cl)Br 270004a_100015525214_100000690054 [0,2,0,0,0,0|1,0,1]=4 3810 B12R1.385 CCNCc1ccc(c(c1)Cl)Br 34a_100012362553_100000210202 [0,2,0,0,0,0|1,0,1]=4 3811 B12R1.385 CCNCc1ccc(c(c1)Cl)C 207a_100015525214_100000760539 [0,2,0,0,0,0|1,0,1]=4 3812 B12R1.385 CCNCc1ccc(c(c1)Cl)C 2230a_100015525214_100011823929 [0,2,0,0,0,0|1,0,1]=4 3813 B12R1.385 CCNCc1ccc(c(c1)Cl)C 2230a_102495364989_100000210202 [0,2,0,0,0,0|1,0,1]=4 3814 B12R1.385 CCNCc1ccc(c(c1)Cl)C 270004a_100015525214_100000760539 [0,2,0,0,0,0|1,0,1]=4 3815 B12R1.385 CCNCc1ccc(c(c1)Cl)C 34a_102495364989_100000210202 [0,2,0,0,0,0|1,0,1]=4 3816 B12R1.385 CCNCc1ccc(c(c1)Cl)Cl 207a_100015525214_100000188533 [0,2,0,0,0,0|1,0,1]=4 3817 B12R1.385 CCNCc1ccc(c(c1)Cl)Cl 2230a_100000174881_100000210202 [0,2,0,0,0,0|1,0,1]=4 3818 B12R1.385 CCNCc1ccc(c(c1)Cl)Cl 2230a_100015525214_100000184707 [0,2,0,0,0,0|1,0,1]=4 3819 B12R1.385 CCNCc1ccc(c(c1)Cl)Cl 270004a_100015525214_100000188533 [0,2,0,0,0,0|1,0,1]=4 3820 B12R1.385 CCNCc1ccc(c(c1)Cl)Cl 34a_100000174881_100000210202 [0,2,0,0,0,0|1,0,1]=4 3821 B12R1.385 CCNCc1ccc(c(c1)Cl)F 207a_100015525214_100000742290 [0,2,0,0,0,0|1,0,1]=4 3822 B12R1.385 CCNCc1ccc(c(c1)Cl)F 2230a_100000749334_100000210202 [0,2,0,0,0,0|1,0,1]=4 3823 B12R1.385 CCNCc1ccc(c(c1)Cl)F 2230a_100015525214_100000717365 [0,2,0,0,0,0|1,0,1]=4 3824 B12R1.385 CCNCc1ccc(c(c1)Cl)F 270004a_100015525214_100000742290 [0,2,0,0,0,0|1,0,1]=4 3825 B12R1.385 CCNCc1ccc(c(c1)Cl)F 34a_100000749334_100000210202 [0,2,0,0,0,0|1,0,1]=4 3826 B12R1.385 CCNCc1ccc(c(c1)Cl)I 2230a_100015525214_100012349665 [0,2,0,0,0,0|1,0,1]=4 3827 B12R1.385 CCNCc1ccc(c(c1)F)Br 207a_100015525214_100000686674 [0,2,0,0,0,0|1,0,1]=4 3828 B12R1.385 CCNCc1ccc(c(c1)F)Br 2230a_100000755036_100000210202 [0,2,0,0,0,0|1,0,1]=4 3829 B12R1.385 CCNCc1ccc(c(c1)F)Br 2230a_100015525214_100000767054 [0,2,0,0,0,0|1,0,1]=4 3830 B12R1.385 CCNCc1ccc(c(c1)F)Br 270004a_100015525214_100000686674 [0,2,0,0,0,0|1,0,1]=4 3831 B12R1.385 CCNCc1ccc(c(c1)F)Br 34a_100000755036_100000210202 [0,2,0,0,0,0|1,0,1]=4 3832 B12R1.385 CCNCc1ccc(c(c1)F)C 207a_100015525214_100000753222 [0,2,0,0,0,0|1,0,1]=4 3833 B12R1.385 CCNCc1ccc(c(c1)F)C 2230a_100015525214_100011217369 [0,2,0,0,0,0|1,0,1]=4 3834 B12R1.385 CCNCc1ccc(c(c1)F)C 2230a_100102708794_100000210202 [0,2,0,0,0,0|1,0,1]=4 3835 B12R1.385 CCNCc1ccc(c(c1)F)C 270004a_100015525214_100000753222 [0,2,0,0,0,0|1,0,1]=4 3836 B12R1.385 CCNCc1ccc(c(c1)F)C 34a_100102708794_100000210202 [0,2,0,0,0,0|1,0,1]=4 3837 B12R1.385 CCNCc1ccc(c(c1)F)Cl 207a_100015525214_100000745630 [0,2,0,0,0,0|1,0,1]=4 3838 B12R1.385 CCNCc1ccc(c(c1)F)Cl 2230a_100011219866_100000210202 [0,2,0,0,0,0|1,0,1]=4 3839 B12R1.385 CCNCc1ccc(c(c1)F)Cl 2230a_100015525214_100000716492 [0,2,0,0,0,0|1,0,1]=4 3840 B12R1.385 CCNCc1ccc(c(c1)F)Cl 270004a_100015525214_100000745630 [0,2,0,0,0,0|1,0,1]=4 3841 B12R1.385 CCNCc1ccc(c(c1)F)Cl 34a_100011219866_100000210202 [0,2,0,0,0,0|1,0,1]=4 3842 B12R1.385 CCNCc1ccc(c(c1)F)F 207a_100015525214_100000211062 [0,2,0,0,0,0|1,0,1]=4 3843 B12R1.385 CCNCc1ccc(c(c1)F)F 2230a_100000737897_100000210202 [0,2,0,0,0,0|1,0,1]=4 3844 B12R1.385 CCNCc1ccc(c(c1)F)F 2230a_100015525214_100000757363 [0,2,0,0,0,0|1,0,1]=4 3845 B12R1.385 CCNCc1ccc(c(c1)F)F 270004a_100015525214_100000211062 [0,2,0,0,0,0|1,0,1]=4 3846 B12R1.385 CCNCc1ccc(c(c1)F)F 34a_100000737897_100000210202 [0,2,0,0,0,0|1,0,1]=4 3847 B12R1.385 CCNCc1ccc(c(c1)F)I 207a_100015525214_100000050832 [0,2,0,0,0,0|1,0,1]=4 3848 B12R1.385 CCNCc1ccc(c(c1)F)I 2230a_100015525214_100010149604 [0,2,0,0,0,0|1,0,1]=4 3849 B12R1.385 CCNCc1ccc(c(c1)F)I 270004a_100015525214_100000050832 [0,2,0,0,0,0|1,0,1]=4 3850 B12R1.385 CCNCc1ccc(c(c1)F)O 34a_100000758358_100000210202 [0,2,0,0,0,0|1,0,1]=4 3851 B12R1.385 CCNCc1ccc(c(c1)I)Br 207a_100015525214_100010146563 [0,2,0,0,0,0|1,0,1]=4 3852 B12R1.385 CCNCc1ccc(c(c1)I)Br 2230a_100015525214_100010146616 [0,2,0,0,0,0|1,0,1]=4 3853 B12R1.385 CCNCc1ccc(c(c1)I)Br 270004a_100015525214_100010146563 [0,2,0,0,0,0|1,0,1]=4 3854 B12R1.385 CCNCc1ccc(c(c1)I)C 207a_100015525214_100010197721 [0,2,0,0,0,0|1,0,1]=4 3855 B12R1.385 CCNCc1ccc(c(c1)I)C 2230a_100015525214_100010206137 [0,2,0,0,0,0|1,0,1]=4 3856 B12R1.385 CCNCc1ccc(c(c1)I)C 270004a_100015525214_100010197721 [0,2,0,0,0,0|1,0,1]=4 3857 B12R1.385 CCNCc1ccc(c(c1)I)Cl 207a_100015525214_100010209939 [0,2,0,0,0,0|1,0,1]=4 3858 B12R1.385 CCNCc1ccc(c(c1)I)Cl 270004a_100015525214_100010209939 [0,2,0,0,0,0|1,0,1]=4 3859 B12R1.385 CCNCc1ccc(c(c1)I)F 207a_100015525214_100010188209 [0,2,0,0,0,0|1,0,1]=4 3860 B12R1.385 CCNCc1ccc(c(c1)I)F 2230a_100015525214_100010188208 [0,2,0,0,0,0|1,0,1]=4 3861 B12R1.385 CCNCc1ccc(c(c1)I)F 270004a_100015525214_100010188209 [0,2,0,0,0,0|1,0,1]=4 3862 B12R1.385 CCNCc1ccc(c(c1)O)Cl 34a_100020636435_100000210202 [0,2,0,0,0,0|1,0,1]=4 3863 B12R1.385 CCNCc1ccc(c(c1)O)F 34a_100160469508_100000210202 [0,2,0,0,0,0|1,0,1]=4 3864 B12R1.385 CCNCc1ccc(c(c1)O)O 34a_100000010075_100000210202 [0,2,0,0,0,0|1,0,1]=4 3865 B12R1.385 Cc1cc(ccc1Br)CNCF 34a_100015205234_100015361967 [0,2,0,0,0,0|1,0,1]=4 3866 B12R1.385 Cc1cc(ccc1Br)NCC=O 2230a_100000210723_200015260668 [0,2,0,0,0,0|2,0,0]=4 3867 B12R1.385 Cc1cc(ccc1Br)NCC=O 34a_100000210723_200009817547 [0,2,0,0,0,0|2,0,0]=4 3868 B12R1.385 Cc1cc(ccc1Br)NCC=O 7a_100000210723_200015260668 [0,2,0,0,0,0|2,0,0]=4 3869 B12R1.385 Cc1cc(ccc1Br)OCC=O 34a_100000690111_200009817547 [0,2,0,0,0,0|2,0,0]=4 3870 B12R1.385 Cc1cc(ccc1Br)OCC=O 7a_100000690111_200015260668 [0,2,0,0,0,0|2,0,0]=4 3871 B12R1.385 Cc1cc(ccc1Br)SCC=O 62a_100009813585_200015260668 [0,2,0,0,0,0|2,0,0]=4 3872 B12R1.385 Cc1cc(ccc1Br)SCC=O 62a_200015260668_100009813585 [0,2,0,0,0,0|2,0,0]=4 3873 B12R1.385 Cc1cc(ccc1Cl)NCC=O 2230a_100000187808_200015260668 [0,2,0,0,0,0|2,0,0]=4 3874 B12R1.385 Cc1cc(ccc1Cl)NCC=O 34a_100000187808_200009817547 [0,2,0,0,0,0|2,0,0]=4 3875 B12R1.385 Cc1cc(ccc1Cl)NCC=O 7a_100000187808_200015260668 [0,2,0,0,0,0|2,0,0]=4 3876 B12R1.385 Cc1cc(ccc1Cl)OCC=O 34a_100000211092_200009817547 [0,2,0,0,0,0|2,0,0]=4 3877 B12R1.385 Cc1cc(ccc1Cl)OCC=O 7a_100000211092_200015260668 [0,2,0,0,0,0|2,0,0]=4 3878 B12R1.385 Cc1cc(ccc1Cl)SCC=O 62a_100000049509_200015260668 [0,2,0,0,0,0|2,0,0]=4 3879 B12R1.385 Cc1cc(ccc1Cl)SCC=O 62a_200015260668_100000049509 [0,2,0,0,0,0|2,0,0]=4 3880 B12R1.385 Cc1cc(ccc1F)CNCF 34a_100000239911_100015361967 [0,2,0,0,0,0|1,0,1]=4 3881 B12R1.385 Cc1cc(ccc1F)NCC=O 2230a_100000750164_200015260668 [0,2,0,0,0,0|2,0,0]=4 3882 B12R1.385 Cc1cc(ccc1F)NCC=O 34a_100000750164_200009817547 [0,2,0,0,0,0|2,0,0]=4 3883 B12R1.385 Cc1cc(ccc1F)NCC=O 7a_100000750164_200015260668 [0,2,0,0,0,0|2,0,0]=4 3884 B12R1.385 Cc1cc(ccc1F)OCC=O 34a_100000751312_200009817547 [0,2,0,0,0,0|2,0,0]=4 3885 B12R1.385 Cc1cc(ccc1F)OCC=O 7a_100000751312_200015260668 [0,2,0,0,0,0|2,0,0]=4 3886 B12R1.385 Cc1cc(ccc1F)SCC=O 62a_100011218330_200015260668 [0,2,0,0,0,0|2,0,0]=4 3887 B12R1.385 Cc1cc(ccc1F)SCC=O 62a_200015260668_100011218330 [0,2,0,0,0,0|2,0,0]=4 3888 B12R1.385 Cc1cc(ccc1I)NCC=O 34a_100000198070_200009817547 [0,2,0,0,0,0|2,0,0]=4 3889 B12R1.385 Cc1cc(ccc1I)NCC=O 7a_100000198070_200015260668 [0,2,0,0,0,0|2,0,0]=4 3890 B12R1.385 Cc1cc(ccc1I)OCC=O 34a_100000729255_200009817547 [0,2,0,0,0,0|2,0,0]=4 3891 B12R1.385 Cc1cc(ccc1I)OCC=O 7a_100000729255_200015260668 [0,2,0,0,0,0|2,0,0]=4 3892 B12R1.385 Cc1cc(ccc1N)OCC=O 34a_100000756630_200009817547 [0,2,0,0,0,0|2,0,0]=4 3893 B12R1.385 Cc1cc(ccc1N)OCC=O 7a_100000756630_200015260668 [0,2,0,0,0,0|2,0,0]=4 3894 B12R1.385 Cc1cc(ccc1N)SCC=O 62a_100000211769_200015260668 [0,2,0,0,0,0|2,0,0]=4 3895 B12R1.385 Cc1cc(ccc1N)SCC=O 62a_200015260668_100000211769 [0,2,0,0,0,0|2,0,0]=4 3896 B12R1.385 Cc1cc(ccc1O)NCC=O 34a_100011218179_200009817547 [0,2,0,0,0,0|2,0,0]=4 3897 B12R1.385 Cc1cc(ccc1O)NCC=O 7a_100011218179_200015260668 [0,2,0,0,0,0|2,0,0]=4 3898 B12R1.385 Cc1cc(ccc1O)SCC=O 62a_200015260668_100000186361 [0,2,0,0,0,0|2,0,0]=4 3899 B12R1.385 Cc1ccc(cc1Br)NCC=O 2230a_100000736455_200015260668 [0,2,0,0,0,0|2,0,0]=4 3900 B12R1.385 Cc1ccc(cc1Br)NCC=O 34a_100000736455_200009817547 [0,2,0,0,0,0|2,0,0]=4 3901 B12R1.385 Cc1ccc(cc1Br)NCC=O 7a_100000736455_200015260668 [0,2,0,0,0,0|2,0,0]=4 3902 B12R1.385 Cc1ccc(cc1Br)OCC=O 34a_100011380479_200009817547 [0,2,0,0,0,0|2,0,0]=4 3903 B12R1.385 Cc1ccc(cc1Br)OCC=O 7a_100011380479_200015260668 [0,2,0,0,0,0|2,0,0]=4 3904 B12R1.385 Cc1ccc(cc1Br)SCC=O 62a_100011847877_200015260668 [0,2,0,0,0,0|2,0,0]=4 3905 B12R1.385 Cc1ccc(cc1Br)SCC=O 62a_200015260668_100011847877 [0,2,0,0,0,0|2,0,0]=4 3906 B12R1.385 Cc1ccc(cc1C)CNCF 34a_100025706692_100015361967 [0,2,0,0,0,0|1,0,1]=4 3907 B12R1.385 Cc1ccc(cc1C)NCC=O 2230a_100000724040_200015260668 [0,2,0,0,0,0|2,0,0]=4 3908 B12R1.385 Cc1ccc(cc1C)NCC=O 34a_100000724040_200009817547 [0,2,0,0,0,0|2,0,0]=4 3909 B12R1.385 Cc1ccc(cc1C)NCC=O 7a_100000724040_200015260668 [0,2,0,0,0,0|2,0,0]=4 3910 B12R1.385 Cc1ccc(cc1C)OCC=O 34a_100000210932_200009817547 [0,2,0,0,0,0|2,0,0]=4 3911 B12R1.385 Cc1ccc(cc1C)OCC=O 7a_100000210932_200015260668 [0,2,0,0,0,0|2,0,0]=4 3912 B12R1.385 Cc1ccc(cc1C)SCC=O 62a_100011215607_200015260668 [0,2,0,0,0,0|2,0,0]=4 3913 B12R1.385 Cc1ccc(cc1C)SCC=O 62a_200015260668_100011215607 [0,2,0,0,0,0|2,0,0]=4 3914 B12R1.385 Cc1ccc(cc1Cl)CNCF 34a_102495364989_100015361967 [0,2,0,0,0,0|1,0,1]=4 3915 B12R1.385 Cc1ccc(cc1Cl)NCC=O 2230a_100000188892_200015260668 [0,2,0,0,0,0|2,0,0]=4 3916 B12R1.385 Cc1ccc(cc1Cl)NCC=O 34a_100000188892_200009817547 [0,2,0,0,0,0|2,0,0]=4 3917 B12R1.385 Cc1ccc(cc1Cl)NCC=O 7a_100000188892_200015260668 [0,2,0,0,0,0|2,0,0]=4 3918 B12R1.385 Cc1ccc(cc1Cl)OCC=O 34a_100011265682_200009817547 [0,2,0,0,0,0|2,0,0]=4 3919 B12R1.385 Cc1ccc(cc1Cl)OCC=O 7a_100011265682_200015260668 [0,2,0,0,0,0|2,0,0]=4 3920 B12R1.385 Cc1ccc(cc1Cl)SCC=O 62a_100011216363_200015260668 [0,2,0,0,0,0|2,0,0]=4 3921 B12R1.385 Cc1ccc(cc1Cl)SCC=O 62a_200015260668_100011216363 [0,2,0,0,0,0|2,0,0]=4 3922 B12R1.385 Cc1ccc(cc1F)CNCF 34a_100102708794_100015361967 [0,2,0,0,0,0|1,0,1]=4 3923 B12R1.385 Cc1ccc(cc1F)NCC=O 2230a_100000210958_200015260668 [0,2,0,0,0,0|2,0,0]=4 3924 B12R1.385 Cc1ccc(cc1F)NCC=O 34a_100000210958_200009817547 [0,2,0,0,0,0|2,0,0]=4 3925 B12R1.385 Cc1ccc(cc1F)NCC=O 7a_100000210958_200015260668 [0,2,0,0,0,0|2,0,0]=4 3926 B12R1.385 Cc1ccc(cc1F)OCC=O 34a_100000722560_200009817547 [0,2,0,0,0,0|2,0,0]=4 3927 B12R1.385 Cc1ccc(cc1F)OCC=O 7a_100000722560_200015260668 [0,2,0,0,0,0|2,0,0]=4 3928 B12R1.385 Cc1ccc(cc1F)SCC=O 62a_100000720648_200015260668 [0,2,0,0,0,0|2,0,0]=4 3929 B12R1.385 Cc1ccc(cc1F)SCC=O 62a_200015260668_100000720648 [0,2,0,0,0,0|2,0,0]=4 3930 B12R1.385 Cc1ccc(cc1I)NCC=O 34a_100000184131_200009817547 [0,2,0,0,0,0|2,0,0]=4 3931 B12R1.385 Cc1ccc(cc1I)NCC=O 7a_100000184131_200015260668 [0,2,0,0,0,0|2,0,0]=4 3932 B12R1.385 Cc1ccc(cc1N)OCC=O 34a_100011216113_200009817547 [0,2,0,0,0,0|2,0,0]=4 3933 B12R1.385 Cc1ccc(cc1N)OCC=O 7a_100011216113_200015260668 [0,2,0,0,0,0|2,0,0]=4 3934 B12R1.385 Cc1ccc(cc1N)SCC=O 62a_100000761890_200015260668 [0,2,0,0,0,0|2,0,0]=4 3935 B12R1.385 Cc1ccc(cc1N)SCC=O 62a_200015260668_100000761890 [0,2,0,0,0,0|2,0,0]=4 3936 B12R1.385 Cc1ccc(cc1O)NCC=O 34a_100000759471_200009817547 [0,2,0,0,0,0|2,0,0]=4 3937 B12R1.385 Cc1ccc(cc1O)NCC=O 7a_100000759471_200015260668 [0,2,0,0,0,0|2,0,0]=4 3938 B12R1.385 Cc1ccc(cc1O)SCC=O 62a_100000685420_200015260668 [0,2,0,0,0,0|2,0,0]=4 3939 B12R1.385 Cc1ccc(cc1O)SCC=O 62a_200015260668_100000685420 [0,2,0,0,0,0|2,0,0]=4 3940 B12R1.385 FCNCc1ccc(c(c1)Br)Br 34a_100012351559_100015361967 [0,2,0,0,0,0|1,0,1]=4 3941 B12R1.385 FCNCc1ccc(c(c1)Br)Cl 34a_100012349490_100015361967 [0,2,0,0,0,0|1,0,1]=4 3942 B12R1.385 FCNCc1ccc(c(c1)Br)F 34a_100015193890_100015361967 [0,2,0,0,0,0|1,0,1]=4 3943 B12R1.385 FCNCc1ccc(c(c1)Cl)Br 34a_100012362553_100015361967 [0,2,0,0,0,0|1,0,1]=4 3944 B12R1.385 FCNCc1ccc(c(c1)Cl)Cl 34a_100000174881_100015361967 [0,2,0,0,0,0|1,0,1]=4 3945 B12R1.385 FCNCc1ccc(c(c1)Cl)F 34a_100000749334_100015361967 [0,2,0,0,0,0|1,0,1]=4 3946 B12R1.385 FCNCc1ccc(c(c1)F)Br 34a_100000755036_100015361967 [0,2,0,0,0,0|1,0,1]=4 3947 B12R1.385 FCNCc1ccc(c(c1)F)Cl 34a_100011219866_100015361967 [0,2,0,0,0,0|1,0,1]=4 3948 B12R1.385 FCNCc1ccc(c(c1)F)F 34a_100000737897_100015361967 [0,2,0,0,0,0|1,0,1]=4 3949 B12R1.385 Nc1cc(ccc1Br)OCC=O 34a_100011999798_200009817547 [0,2,0,0,0,0|2,0,0]=4 3950 B12R1.385 Nc1cc(ccc1Br)OCC=O 7a_100011999798_200015260668 [0,2,0,0,0,0|2,0,0]=4 3951 B12R1.385 Nc1cc(ccc1Br)SCC=O 62a_100000750456_200015260668 [0,2,0,0,0,0|2,0,0]=4 3952 B12R1.385 Nc1cc(ccc1Br)SCC=O 62a_200015260668_100000750456 [0,2,0,0,0,0|2,0,0]=4 3953 B12R1.385 Nc1cc(ccc1Cl)OCC=O 34a_100011934297_200009817547 [0,2,0,0,0,0|2,0,0]=4 3954 B12R1.385 Nc1cc(ccc1Cl)SCC=O 62a_200000761891_200015260668 [0,2,0,0,0,0|2,0,0]=4 3955 B12R1.385 Nc1cc(ccc1Cl)SCC=O 62a_200015260668_200000761891 [0,2,0,0,0,0|2,0,0]=4 3956 B12R1.385 Nc1cc(ccc1F)OCC=O 34a_100012017239_200009817547 [0,2,0,0,0,0|2,0,0]=4 3957 B12R1.385 Nc1cc(ccc1F)OCC=O 7a_100012017239_200015260668 [0,2,0,0,0,0|2,0,0]=4 3958 B12R1.385 Nc1cc(ccc1F)SCC=O 62a_100000740924_200015260668 [0,2,0,0,0,0|2,0,0]=4 3959 B12R1.385 Nc1cc(ccc1F)SCC=O 62a_200015260668_100000740924 [0,2,0,0,0,0|2,0,0]=4 3960 B12R1.385 Nc1cc(ccc1O)SCC=O 62a_100000752626_200015260668 [0,2,0,0,0,0|2,0,0]=4 3961 B12R1.385 Nc1cc(ccc1O)SCC=O 62a_200015260668_100000752626 [0,2,0,0,0,0|2,0,0]=4 3962 B12R1.385 Nc1ccc(cc1Br)OCC=O 34a_100012001276_200009817547 [0,2,0,0,0,0|2,0,0]=4 3963 B12R1.385 Nc1ccc(cc1Br)OCC=O 7a_100012001276_200015260668 [0,2,0,0,0,0|2,0,0]=4 3964 B12R1.385 Nc1ccc(cc1Br)SCC=O 62a_100000750455_200015260668 [0,2,0,0,0,0|2,0,0]=4 3965 B12R1.385 Nc1ccc(cc1Br)SCC=O 62a_200015260668_100000750455 [0,2,0,0,0,0|2,0,0]=4 3966 B12R1.385 Nc1ccc(cc1Cl)OCC=O 34a_100011215599_200009817547 [0,2,0,0,0,0|2,0,0]=4 3967 B12R1.385 Nc1ccc(cc1Cl)OCC=O 7a_100011215599_200015260668 [0,2,0,0,0,0|2,0,0]=4 3968 B12R1.385 Nc1ccc(cc1Cl)SCC=O 62a_100011218065_200015260668 [0,2,0,0,0,0|2,0,0]=4 3969 B12R1.385 Nc1ccc(cc1Cl)SCC=O 62a_200015260668_100011218065 [0,2,0,0,0,0|2,0,0]=4 3970 B12R1.385 Nc1ccc(cc1F)OCC=O 34a_100000759473_200009817547 [0,2,0,0,0,0|2,0,0]=4 3971 B12R1.385 Nc1ccc(cc1F)OCC=O 7a_100000759473_200015260668 [0,2,0,0,0,0|2,0,0]=4 3972 B12R1.385 Nc1ccc(cc1F)SCC=O 62a_100011215594_200015260668 [0,2,0,0,0,0|2,0,0]=4 3973 B12R1.385 Nc1ccc(cc1F)SCC=O 62a_200015260668_100011215594 [0,2,0,0,0,0|2,0,0]=4 3974 B12R1.385 Nc1ccc(cc1I)OCC=O 34a_100010084370_200009817547 [0,2,0,0,0,0|2,0,0]=4 3975 B12R1.385 Nc1ccc(cc1I)OCC=O 7a_100010084370_200015260668 [0,2,0,0,0,0|2,0,0]=4 3976 B12R1.385 Nc1ccc(cc1N)OCC=O 34a_100025771000_200009817547 [0,2,0,0,0,0|2,0,0]=4 3977 B12R1.385 Nc1ccc(cc1N)SCC=O 62a_100000741789_200015260668 [0,2,0,0,0,0|2,0,0]=4 3978 B12R1.385 Nc1ccc(cc1N)SCC=O 62a_200015260668_100011534411 [0,2,0,0,0,0|2,0,0]=4 3979 B12R1.385 Nc1ccc(cc1O)SCC=O 62a_100000739049_200015260668 [0,2,0,0,0,0|2,0,0]=4 3980 B12R1.385 Nc1ccc(cc1O)SCC=O 62a_200015260668_100000739049 [0,2,0,0,0,0|2,0,0]=4 3981 B12R1.385 O=CCNc1ccc(c(c1)Br)Br 2230a_100011306057_200015260668 [0,2,0,0,0,0|2,0,0]=4 3982 B12R1.385 O=CCNc1ccc(c(c1)Br)Br 34a_100011306057_200009817547 [0,2,0,0,0,0|2,0,0]=4 3983 B12R1.385 O=CCNc1ccc(c(c1)Br)Br 7a_100011306057_200015260668 [0,2,0,0,0,0|2,0,0]=4 3984 B12R1.385 O=CCNc1ccc(c(c1)Br)Cl 2230a_100000686031_200015260668 [0,2,0,0,0,0|2,0,0]=4 3985 B12R1.385 O=CCNc1ccc(c(c1)Br)Cl 34a_100000686031_200009817547 [0,2,0,0,0,0|2,0,0]=4 3986 B12R1.385 O=CCNc1ccc(c(c1)Br)F 2230a_100000760356_200015260668 [0,2,0,0,0,0|2,0,0]=4 3987 B12R1.385 O=CCNc1ccc(c(c1)Br)F 34a_100000760356_200009817547 [0,2,0,0,0,0|2,0,0]=4 3988 B12R1.385 O=CCNc1ccc(c(c1)Br)F 7a_100000760356_200015260668 [0,2,0,0,0,0|2,0,0]=4 3989 B12R1.385 O=CCNc1ccc(c(c1)Br)I 34a_100000750458_200009817547 [0,2,0,0,0,0|2,0,0]=4 3990 B12R1.385 O=CCNc1ccc(c(c1)Br)O 34a_100011534360_200009817547 [0,2,0,0,0,0|2,0,0]=4 3991 B12R1.385 O=CCNc1ccc(c(c1)Cl)Br 2230a_100000687081_200015260668 [0,2,0,0,0,0|2,0,0]=4 3992 B12R1.385 O=CCNc1ccc(c(c1)Cl)Br 34a_100000687081_200009817547 [0,2,0,0,0,0|2,0,0]=4 3993 B12R1.385 O=CCNc1ccc(c(c1)Cl)Br 7a_100000687081_200015260668 [0,2,0,0,0,0|2,0,0]=4 3994 B12R1.385 O=CCNc1ccc(c(c1)Cl)Cl 2230a_100000184108_200015260668 [0,2,0,0,0,0|2,0,0]=4 3995 B12R1.385 O=CCNc1ccc(c(c1)Cl)Cl 34a_100000184108_200009817547 [0,2,0,0,0,0|2,0,0]=4 3996 B12R1.385 O=CCNc1ccc(c(c1)Cl)F 2230a_100000211060_200015260668 [0,2,0,0,0,0|2,0,0]=4 3997 B12R1.385 O=CCNc1ccc(c(c1)Cl)F 34a_100000211060_200009817547 [0,2,0,0,0,0|2,0,0]=4 3998 B12R1.385 O=CCNc1ccc(c(c1)Cl)F 7a_100000211060_200015260668 [0,2,0,0,0,0|2,0,0]=4 3999 B12R1.385 O=CCNc1ccc(c(c1)Cl)I 34a_100000761885_200009817547 [0,2,0,0,0,0|2,0,0]=4 4000 B12R1.385 O=CCNc1ccc(c(c1)Cl)O 34a_100000744943_200009817547 [0,2,0,0,0,0|2,0,0]=4 4001 B12R1.385 O=CCNc1ccc(c(c1)F)Br 2230a_100000759894_200015260668 [0,2,0,0,0,0|2,0,0]=4 4002 B12R1.385 O=CCNc1ccc(c(c1)F)Br 34a_100000759894_200009817547 [0,2,0,0,0,0|2,0,0]=4 4003 B12R1.385 O=CCNc1ccc(c(c1)F)Br 7a_100000759894_200015260668 [0,2,0,0,0,0|2,0,0]=4 4004 B12R1.385 O=CCNc1ccc(c(c1)F)Cl 2230a_100000739366_200015260668 [0,2,0,0,0,0|2,0,0]=4 4005 B12R1.385 O=CCNc1ccc(c(c1)F)Cl 34a_100000739366_200009817547 [0,2,0,0,0,0|2,0,0]=4 4006 B12R1.385 O=CCNc1ccc(c(c1)F)Cl 7a_100000739366_200015260668 [0,2,0,0,0,0|2,0,0]=4 4007 B12R1.385 O=CCNc1ccc(c(c1)F)F 2230a_100000210724_200015260668 [0,2,0,0,0,0|2,0,0]=4 4008 B12R1.385 O=CCNc1ccc(c(c1)F)F 34a_100000210724_200009817547 [0,2,0,0,0,0|2,0,0]=4 4009 B12R1.385 O=CCNc1ccc(c(c1)F)F 7a_100000210724_200015260668 [0,2,0,0,0,0|2,0,0]=4 4010 B12R1.385 O=CCNc1ccc(c(c1)F)I 34a_100011356925_200009817547 [0,2,0,0,0,0|2,0,0]=4 4011 B12R1.385 O=CCNc1ccc(c(c1)F)I 7a_100011356925_200015260668 [0,2,0,0,0,0|2,0,0]=4 4012 B12R1.385 O=CCNc1ccc(c(c1)F)O 34a_100011220035_200009817547 [0,2,0,0,0,0|2,0,0]=4 4013 B12R1.385 O=CCNc1ccc(c(c1)F)O 7a_100011220035_200015260668 [0,2,0,0,0,0|2,0,0]=4 4014 B12R1.385 O=CCNc1ccc(c(c1)I)Br 34a_100000750459_200009817547 [0,2,0,0,0,0|2,0,0]=4 4015 B12R1.385 O=CCNc1ccc(c(c1)I)Cl 34a_100012360549_200009817547 [0,2,0,0,0,0|2,0,0]=4 4016 B12R1.385 O=CCNc1ccc(c(c1)I)F 34a_114828291077_200009817547 [0,2,0,0,0,0|2,0,0]=4 4017 B12R1.385 O=CCNc1ccc(c(c1)I)F 7a_114828291077_200015260668 [0,2,0,0,0,0|2,0,0]=4 4018 B12R1.385 O=CCNc1ccc(c(c1)O)Cl 34a_100011934209_200009817547 [0,2,0,0,0,0|2,0,0]=4 4019 B12R1.385 O=CCNc1ccc(c(c1)O)F 34a_100012017398_200009817547 [0,2,0,0,0,0|2,0,0]=4 4020 B12R1.385 O=CCNc1ccc(c(c1)O)F 7a_100012017398_200015260668 [0,2,0,0,0,0|2,0,0]=4 4021 B12R1.385 O=CCNc1ccc(c(c1)O)O 34a_100102946323_200009817547 [0,2,0,0,0,0|2,0,0]=4 4022 B12R1.385 O=CCOc1ccc(c(c1)Br)Cl 34a_100011933957_200009817547 [0,2,0,0,0,0|2,0,0]=4 4023 B12R1.385 O=CCOc1ccc(c(c1)Br)Cl 7a_100011933957_200015260668 [0,2,0,0,0,0|2,0,0]=4 4024 B12R1.385 O=CCOc1ccc(c(c1)Br)F 34a_100000693481_200009817547 [0,2,0,0,0,0|2,0,0]=4 4025 B12R1.385 O=CCOc1ccc(c(c1)Br)F 7a_100000693481_200015260668 [0,2,0,0,0,0|2,0,0]=4 4026 B12R1.385 O=CCOc1ccc(c(c1)Br)I 34a_100000701344_200009817547 [0,2,0,0,0,0|2,0,0]=4 4027 B12R1.385 O=CCOc1ccc(c(c1)Br)I 7a_100000701344_200015260668 [0,2,0,0,0,0|2,0,0]=4 4028 B12R1.385 O=CCOc1ccc(c(c1)Cl)Br 34a_100011215161_200009817547 [0,2,0,0,0,0|2,0,0]=4 4029 B12R1.385 O=CCOc1ccc(c(c1)Cl)Br 7a_100011215161_200015260668 [0,2,0,0,0,0|2,0,0]=4 4030 B12R1.385 O=CCOc1ccc(c(c1)Cl)Cl 34a_100000211054_200009817547 [0,2,0,0,0,0|2,0,0]=4 4031 B12R1.385 O=CCOc1ccc(c(c1)Cl)Cl 7a_100000211054_200015260668 [0,2,0,0,0,0|2,0,0]=4 4032 B12R1.385 O=CCOc1ccc(c(c1)Cl)F 34a_100000211030_200009817547 [0,2,0,0,0,0|2,0,0]=4 4033 B12R1.385 O=CCOc1ccc(c(c1)Cl)F 7a_100000211030_200015260668 [0,2,0,0,0,0|2,0,0]=4 4034 B12R1.385 O=CCOc1ccc(c(c1)Cl)I 34a_100000047559_200009817547 [0,2,0,0,0,0|2,0,0]=4 4035 B12R1.385 O=CCOc1ccc(c(c1)Cl)I 7a_100000047559_200015260668 [0,2,0,0,0,0|2,0,0]=4 4036 B12R1.385 O=CCOc1ccc(c(c1)F)Br 34a_100000755031_200009817547 [0,2,0,0,0,0|2,0,0]=4 4037 B12R1.385 O=CCOc1ccc(c(c1)F)Br 7a_100000755031_200015260668 [0,2,0,0,0,0|2,0,0]=4 4038 B12R1.385 O=CCOc1ccc(c(c1)F)Cl 34a_100000691581_200009817547 [0,2,0,0,0,0|2,0,0]=4 4039 B12R1.385 O=CCOc1ccc(c(c1)F)Cl 7a_100000691581_200015260668 [0,2,0,0,0,0|2,0,0]=4 4040 B12R1.385 O=CCOc1ccc(c(c1)F)F 34a_100000181275_200009817547 [0,2,0,0,0,0|2,0,0]=4 4041 B12R1.385 O=CCOc1ccc(c(c1)F)F 7a_100000181275_200015260668 [0,2,0,0,0,0|2,0,0]=4 4042 B12R1.385 O=CCOc1ccc(c(c1)F)I 34a_100009990212_200009817547 [0,2,0,0,0,0|2,0,0]=4 4043 B12R1.385 O=CCOc1ccc(c(c1)F)I 7a_100009990212_200015260668 [0,2,0,0,0,0|2,0,0]=4 4044 B12R1.385 O=CCOc1ccc(c(c1)I)Br 34a_100012339312_200009817547 [0,2,0,0,0,0|2,0,0]=4 4045 B12R1.385 O=CCOc1ccc(c(c1)I)Br 7a_100012339312_200015260668 [0,2,0,0,0,0|2,0,0]=4 4046 B12R1.385 O=CCOc1ccc(c(c1)I)Cl 34a_100000049588_200009817547 [0,2,0,0,0,0|2,0,0]=4 4047 B12R1.385 O=CCOc1ccc(c(c1)I)Cl 7a_100000049588_200015260668 [0,2,0,0,0,0|2,0,0]=4 4048 B12R1.385 O=CCSc1ccc(c(c1)Br)Br 62a_100012356285_200015260668 [0,2,0,0,0,0|2,0,0]=4 4049 B12R1.385 O=CCSc1ccc(c(c1)Br)Br 62a_200015260668_100012356285 [0,2,0,0,0,0|2,0,0]=4 4050 B12R1.385 O=CCSc1ccc(c(c1)Br)Cl 62a_100012353702_200015260668 [0,2,0,0,0,0|2,0,0]=4 4051 B12R1.385 O=CCSc1ccc(c(c1)Br)Cl 62a_200015260668_100012353702 [0,2,0,0,0,0|2,0,0]=4 4052 B12R1.385 O=CCSc1ccc(c(c1)Br)F 62a_100012047266_200015260668 [0,2,0,0,0,0|2,0,0]=4 4053 B12R1.385 O=CCSc1ccc(c(c1)Br)F 62a_200015260668_100012047266 [0,2,0,0,0,0|2,0,0]=4 4054 B12R1.385 O=CCSc1ccc(c(c1)Br)O 62a_100012361655_200015260668 [0,2,0,0,0,0|2,0,0]=4 4055 B12R1.385 O=CCSc1ccc(c(c1)Br)O 62a_200015260668_100012361655 [0,2,0,0,0,0|2,0,0]=4 4056 B12R1.385 O=CCSc1ccc(c(c1)Cl)Br 62a_100012047281_200015260668 [0,2,0,0,0,0|2,0,0]=4 4057 B12R1.385 O=CCSc1ccc(c(c1)Cl)Br 62a_200015260668_100012047281 [0,2,0,0,0,0|2,0,0]=4 4058 B12R1.385 O=CCSc1ccc(c(c1)Cl)Cl 62a_100011214914_200015260668 [0,2,0,0,0,0|2,0,0]=4 4059 B12R1.385 O=CCSc1ccc(c(c1)Cl)Cl 62a_200015260668_100011214914 [0,2,0,0,0,0|2,0,0]=4 4060 B12R1.385 O=CCSc1ccc(c(c1)Cl)F 62a_100011215976_200015260668 [0,2,0,0,0,0|2,0,0]=4 4061 B12R1.385 O=CCSc1ccc(c(c1)Cl)F 62a_200015260668_100011215976 [0,2,0,0,0,0|2,0,0]=4 4062 B12R1.385 O=CCSc1ccc(c(c1)Cl)O 62a_100012360047_200015260668 [0,2,0,0,0,0|2,0,0]=4 4063 B12R1.385 O=CCSc1ccc(c(c1)Cl)O 62a_200015260668_100012360047 [0,2,0,0,0,0|2,0,0]=4 4064 B12R1.385 O=CCSc1ccc(c(c1)F)Br 62a_100000685389_200015260668 [0,2,0,0,0,0|2,0,0]=4 4065 B12R1.385 O=CCSc1ccc(c(c1)F)Br 62a_200015260668_100000685389 [0,2,0,0,0,0|2,0,0]=4 4066 B12R1.385 O=CCSc1ccc(c(c1)F)Cl 62a_100011216805_200015260668 [0,2,0,0,0,0|2,0,0]=4 4067 B12R1.385 O=CCSc1ccc(c(c1)F)Cl 62a_200015260668_100011216805 [0,2,0,0,0,0|2,0,0]=4 4068 B12R1.385 O=CCSc1ccc(c(c1)F)F 62a_100000703953_200015260668 [0,2,0,0,0,0|2,0,0]=4 4069 B12R1.385 O=CCSc1ccc(c(c1)F)F 62a_200015260668_100000703953 [0,2,0,0,0,0|2,0,0]=4 4070 B12R1.385 O=CCSc1ccc(c(c1)F)O 62a_100000185481_200015260668 [0,2,0,0,0,0|2,0,0]=4 4071 B12R1.385 O=CCSc1ccc(c(c1)F)O 62a_200015260668_100000185481 [0,2,0,0,0,0|2,0,0]=4 4072 B12R1.385 O=CCSc1ccc(c(c1)O)Br 62a_100012356990_200015260668 [0,2,0,0,0,0|2,0,0]=4 4073 B12R1.385 O=CCSc1ccc(c(c1)O)Br 62a_200015260668_100012356990 [0,2,0,0,0,0|2,0,0]=4 4074 B12R1.385 O=CCSc1ccc(c(c1)O)Cl 62a_100011356854_200015260668 [0,2,0,0,0,0|2,0,0]=4 4075 B12R1.385 O=CCSc1ccc(c(c1)O)Cl 62a_200015260668_100011356854 [0,2,0,0,0,0|2,0,0]=4 4076 B12R1.385 O=CCSc1ccc(c(c1)O)F 62a_100000686035_200015260668 [0,2,0,0,0,0|2,0,0]=4 4077 B12R1.385 O=CCSc1ccc(c(c1)O)F 62a_200015260668_100000686035 [0,2,0,0,0,0|2,0,0]=4 4078 B12R1.385 O=CCSc1ccc(c(c1)O)O 62a_200015260668_100009813601 [0,2,0,0,0,0|2,0,0]=4 4079 B12R1.385 Oc1cc(ccc1Cl)CNCF 34a_100020636435_100015361967 [0,2,0,0,0,0|1,0,1]=4 4080 B12R1.385 Oc1cc(ccc1F)CNCF 34a_100160469508_100015361967 [0,2,0,0,0,0|1,0,1]=4 4081 B12R1.385 Oc1ccc(cc1F)CNCF 34a_100000758358_100015361967 [0,2,0,0,0,0|1,0,1]=4 4082 B12R1.385 Oc1ccc(cc1O)CNCF 34a_100000010075_100015361967 [0,2,0,0,0,0|1,0,1]=4 4083 B12R1.3 C=CC(NCC)c1ccccc1 2230a_100015525214_200000085779 [0,2,0,0,0,0|1,0,1]=4 4084 B12R1.3 C=CCC(OC)c1ccccc1 34a_100000687291_200000210301 [0,2,0,0,0,0|2,0,0]=4 4085 B12R1.3 C=CCC(OC)c1ccccc1 7a_100000687291_200000210301 [0,2,0,0,0,0|2,0,0]=4 4086 B12R1.3 C=CCC(O[13CH3])c1ccccc1 34a_100000687291_200025704644 [0,2,0,0,0,0|2,0,0]=4 4087 B12R1.3 C=CCC(O[13CH3])c1ccccc1 7a_100000687291_200025704644 [0,2,0,0,0,0|2,0,0]=4 4088 B12R1.3 CCN(CC=O)c1ccccc1 2230a_100000210013_200015260668 [0,2,0,0,0,0|2,0,0]=4 4089 B12R1.3 CCN(CC=O)c1ccccc1 269982a_100000210013_200015260668 [0,2,0,0,0,0|2,0,0]=4 4090 B12R1.3 CCN(CC=O)c1ccccc1 34a_100000210013_200009817547 [0,2,0,0,0,0|2,0,0]=4 4091 B12R1.3 CCNC(CC)c1ccccc1 2230a_100000737752_100000210202 [0,2,0,0,0,0|1,0,1]=4 4092 B12R1.3 CCNC(CC)c1ccccc1 269862a_100015525214_100000210124 [0,2,0,0,0,0|1,0,1]=4 4093 B12R1.3 CCN[C@H](CO)c1ccccc1 2230a_100000751927_100000210202 [0,2,0,0,0,0|1,0,1]=4 4094 B12R1.3 CCN[C@H](CO)c1ccccc1 34a_100000751927_100000210202 [0,2,0,0,0,0|1,0,1]=4 4095 B12R1.3 OC[C@@H](NCF)c1ccccc1 34a_100000751927_100015361967 [0,2,0,0,0,0|1,0,1]=4 4096 B12R1.17 CC(NCF)c1cccc(c1)Cl 34a_100102723534_100015361967 [0,2,0,0,0,0|1,0,1]=4 4097 B12R1.17 CCNC(C)c1cccc(c1)Br 2230a_100020642005_100000210202 [0,2,0,0,0,0|1,0,1]=4 4098 B12R1.17 CCNC(C)c1cccc(c1)Br 269862a_100015525214_100000210093 [0,2,0,0,0,0|1,0,1]=4 4099 B12R1.17 CCNC(C)c1cccc(c1)C 269862a_100015525214_100000211476 [0,2,0,0,0,0|1,0,1]=4 4100 B12R1.17 CCNC(C)c1cccc(c1)Cl 2230a_100102723534_100000210202 [0,2,0,0,0,0|1,0,1]=4 4101 B12R1.17 CCNC(C)c1cccc(c1)Cl 269862a_100015525214_200000210964 [0,2,0,0,0,0|1,0,1]=4 4102 B12R1.17 CCNC(C)c1cccc(c1)Cl 34a_100102723534_100000210202 [0,2,0,0,0,0|1,0,1]=4 4103 B12R1.17 CCNC(C)c1cccc(c1)F 269862a_100015525214_100000187083 [0,2,0,0,0,0|1,0,1]=4 4104 B12R1.17 CCNC(C)c1cccc(c1)I 269862a_100015525214_100011356966 [0,2,0,0,0,0|1,0,1]=4 4105 B12R1.17 CCNC(C)c1cccc(c1)O 2230a_100000740644_100000210202 [0,2,0,0,0,0|1,0,1]=4 4106 B12R1.17 CCNC(C)c1cccc(c1)O 269862a_100015525214_100000211620 [0,2,0,0,0,0|1,0,1]=4 4107 B12R1.17 CCN[C@H](C)c1cccc(c1)C 2230a_100000698126_100000210202 [0,2,0,0,0,0|1,0,1]=4 4108 B12R1.17 CCN[C@H](C)c1cccc(c1)C 34a_100000698126_100000210202 [0,2,0,0,0,0|1,0,1]=4 4109 B12R1.17 CCN[C@H](C)c1cccc(c1)F 2230a_100015193778_100000210202 [0,2,0,0,0,0|1,0,1]=4 4110 B12R1.17 CCN[C@H](C)c1cccc(c1)F 34a_100015193778_100000210202 [0,2,0,0,0,0|1,0,1]=4 4111 B12R1.17 CN(CC=O)c1cccc(c1)Br 2230a_100000219648_200015260668 [0,2,0,0,0,0|2,0,0]=4 4112 B12R1.17 CN(CC=O)c1cccc(c1)Br 269982a_100000219648_200015260668 [0,2,0,0,0,0|2,0,0]=4 4113 B12R1.17 CN(CC=O)c1cccc(c1)Br 34a_100000219648_200009817547 [0,2,0,0,0,0|2,0,0]=4 4114 B12R1.17 CN(CC=O)c1cccc(c1)Cl 2230a_100000220044_200015260668 [0,2,0,0,0,0|2,0,0]=4 4115 B12R1.17 CN(CC=O)c1cccc(c1)Cl 269982a_100000220044_200015260668 [0,2,0,0,0,0|2,0,0]=4 4116 B12R1.17 CN(CC=O)c1cccc(c1)Cl 34a_100000220044_200009817547 [0,2,0,0,0,0|2,0,0]=4 4117 B12R1.17 CN(CC=O)c1cccc(c1)F 2230a_100020633736_200015260668 [0,2,0,0,0,0|2,0,0]=4 4118 B12R1.17 CN(CC=O)c1cccc(c1)F 269982a_100020633736_200015260668 [0,2,0,0,0,0|2,0,0]=4 4119 B12R1.17 CN(CC=O)c1cccc(c1)F 34a_100020633736_200009817547 [0,2,0,0,0,0|2,0,0]=4 4120 B12R1.17 CN(CC=O)c1cccc(c1)I 2230a_100000221217_200015260668 [0,2,0,0,0,0|2,0,0]=4 4121 B12R1.17 CN(CC=O)c1cccc(c1)I 269982a_100000221217_200015260668 [0,2,0,0,0,0|2,0,0]=4 4122 B12R1.17 CN(CC=O)c1cccc(c1)I 34a_100000221217_200009817547 [0,2,0,0,0,0|2,0,0]=4 4123 B12R1.17 CN(CC=O)c1cccc(c1)O 2230a_100000756613_200015260668 [0,2,0,0,0,0|2,0,0]=4 4124 B12R1.17 CN(CC=O)c1cccc(c1)O 269982a_100000756613_200015260668 [0,2,0,0,0,0|2,0,0]=4 4125 B12R1.17 CN(CC=O)c1cccc(c1)O 34a_100000756613_200009817547 [0,2,0,0,0,0|2,0,0]=4 4126 B12R1.17 C[C@@H](NCF)c1cccc(c1)F 34a_100015193778_100015361967 [0,2,0,0,0,0|1,0,1]=4 4127 B12R1.17 Cc1cccc(c1)N(C)CC=O 2230a_100000219674_200015260668 [0,2,0,0,0,0|2,0,0]=4 4128 B12R1.17 Cc1cccc(c1)N(C)CC=O 269982a_100000219674_200015260668 [0,2,0,0,0,0|2,0,0]=4 4129 B12R1.17 Cc1cccc(c1)N(C)CC=O 34a_100000219674_200009817547 [0,2,0,0,0,0|2,0,0]=4 4130 B12R1.17 Cc1cccc(c1)[C@@H](C)NCF 34a_100000698126_100015361967 [0,2,0,0,0,0|1,0,1]=4 4131 B12R1.30 C#CCNC(C)c1ccccc1 34a_100000212058_100000211855 [0,2,0,0,0,0|1,0,1]=4 4132 B12R1.30 C#CCN[C@H](C)c1ccccc1 2230a_100000751104_100000038162 [0,2,0,0,0,0|1,0,1]=4 4133 B12R1.30 C/C=C/CC(=O)c1ccccc1 1458a_100000185807_100102629194 [0,2,0,0,0,0|2,0,0]=4 4134 B12R1.30 C/C=C/CN(C)c1ccccc1 269982a_100000210012_100102629194 [0,2,0,0,0,0|2,0,0]=4 4135 B12R1.30 C/C=C/CN(C)c1ccccc1 34a_100000210012_100102629194 [0,2,0,0,0,0|2,0,0]=4 4136 B12R1.30 C=CCCC(=O)c1ccccc1 1458a_100000185807_100000754431 [0,2,0,0,0,0|2,0,0]=4 4137 B12R1.30 C=CCCN(C)c1ccccc1 2230a_100000210012_100000754431 [0,2,0,0,0,0|2,0,0]=4 4138 B12R1.30 C=CCCN(C)c1ccccc1 269982a_100000210012_100000754431 [0,2,0,0,0,0|2,0,0]=4 4139 B12R1.30 C=CCCN(C)c1ccccc1 34a_100000210012_100000754431 [0,2,0,0,0,0|2,0,0]=4 4140 B12R1.30 C=CCNC(=O)c1ccccc1 1626a_100020586998_100000185807 [0,2,0,0,0,0|1,0,1]=4 4141 B12R1.30 C=CCNC(=O)c1ccccc1 240690a_100020586998_100000185807 [0,2,0,0,0,0|1,0,1]=4 4142 B12R1.30 C=CCNC(=O)c1ccccc1 527a_100020586998_100000185807 [0,2,0,0,0,0|1,0,1]=4 4143 B12R1.30 C=CCNC(C)c1ccccc1 2230a_100020586998_100000230085 [0,2,0,0,0,0|1,0,0]=3 4144 B12R1.30 C=CCNC(C)c1ccccn1 2230a_100000181244_100000210623 [0,2,0,0,0,0|2,0,0]=4 4145 B12R1.30 C=CCNC(C)c1cccnc1 2230a_100000195435_100000210623 [0,2,0,0,0,0|2,0,0]=4 4146 B12R1.30 C=CCNC(C)c1ccncc1 2230a_100000181269_100000210623 [0,2,0,0,0,0|2,0,0]=4 4147 B12R1.30 C=CCN[C@H](C)c1ccccc1 2230a_100000751104_100000210623 [0,2,0,0,0,0|1,0,0]=3 4148 B12R1.30 C=CCOC(C)c1ccccc1 34a_200000210373_100000211855 [0,2,0,0,0,0|2,0,0]=4 4149 B12R1.30 C=CCO[C@H](C)c1ccccc1 34a_100000761318_100015514636 [0,2,0,0,0,0|2,0,0]=4 4150 B12R1.30 C=CCO[C@H](C)c1ccccc1 7a_100000761318_100015514636 [0,2,0,0,0,0|2,0,0]=4 4151 B12R1.30 C=CCSC(C)c1ccccc1 62a_100000210623_100000230085 [0,2,0,0,0,0|2,0,0]=4 4152 B12R1.30 C=CCSC(C)c1ccccc1 62a_100000230085_100000210623 [0,2,0,0,0,0|2,0,0]=4 4153 B12R1.30 CC(CNCF)c1ccccc1 34a_100000701038_100015361967 [0,2,0,0,0,0|1,0,1]=4 4154 B12R1.30 CC(NCC=O)c1ccccn1 2230a_100000181244_200015260668 [0,2,0,0,0,0|1,0,0]=3 4155 B12R1.30 CC(NCC=O)c1cccnc1 2230a_100000195435_200015260668 [0,2,0,0,0,0|1,0,0]=3 4156 B12R1.30 CC(NCC=O)c1ccncc1 2230a_100000181269_200015260668 [0,2,0,0,0,0|1,0,0]=3 4157 B12R1.30 CC(NCC=O)c1ncccn1 2230a_100020641698_200015260668 [0,2,0,0,0,0|2,0,0]=4 4158 B12R1.30 CC(NCCF)c1ccccc1 269862a_100000724931_100000185851 [0,2,0,0,0,0|1,0,1]=4 4159 B12R1.30 CC(NCCF)c1ccccc1 34a_100000724931_100000211855 [0,2,0,0,0,0|1,0,1]=4 4160 B12R1.30 CC(NCCO)c1ccccc1 2230a_100016997473_100000230085 [0,2,0,0,0,0|0,0,2]=4 4161 B12R1.30 CC(NCCO)c1ccccc1 269862a_100000210304_100000185851 [0,2,0,0,0,0|0,0,2]=4 4162 B12R1.30 CC(NCCO)c1ccccc1 34a_100016990907_100000211855 [0,2,0,0,0,0|0,0,2]=4 4163 B12R1.30 CC(SCC=O)c1ccccc1 62a_100000230085_200015260668 [0,2,0,0,0,0|1,0,0]=3 4164 B12R1.30 CC(SCC=O)c1ccccc1 62a_200015260668_100000230085 [0,2,0,0,0,0|1,0,0]=3 4165 B12R1.30 CC=CCC(=O)c1ccccc1 1458a_100000185807_100000070051 [0,2,0,0,0,0|2,0,0]=4 4166 B12R1.30 CC=CCN(C)c1ccccc1 2230a_100000210012_100000070051 [0,2,0,0,0,0|2,0,0]=4 4167 B12R1.30 CC=CCN(C)c1ccccc1 34a_100000210012_100000070051 [0,2,0,0,0,0|2,0,0]=4 4168 B12R1.30 CC=NNC(=O)c1ccccc1 4a_100000184135_200000210099 [0,2,0,0,0,0|1,0,1]=4 4169 B12R1.30 CCCNC(C)c1ccccc1 269862a_100020643023_100000185851 [0,2,0,0,0,0|1,0,1]=4 4170 B12R1.30 CCCN[C@H](C)c1ccccc1 2230a_100000751104_100000210303 [0,2,0,0,0,0|1,0,1]=4 4171 B12R1.30 CCNCC(C)c1ccccc1 2230a_100000701038_100000210202 [0,2,0,0,0,0|1,0,1]=4 4172 B12R1.30 CCNCC(C)c1ccccc1 2230a_100015525214_100000756946 [0,2,0,0,0,0|1,0,1]=4 4173 B12R1.30 CCNCC(C)c1ccccc1 270004a_100015525214_100000212034 [0,2,0,0,0,0|1,0,1]=4 4174 B12R1.30 CCNCC(C)c1ccccc1 34a_100000701038_100000210202 [0,2,0,0,0,0|1,0,1]=4 4175 B12R1.30 CCNCC(O)c1ccccc1 2230a_100000210709_100000210202 [0,2,0,0,0,0|1,0,1]=4 4176 B12R1.30 CCNCC(O)c1ccccc1 2230a_100015525214_100000185958 [0,2,0,0,0,0|1,0,1]=4 4177 B12R1.30 CCNC[C@@H](O)c1ccccc1 2230a_100015525214_100011933945 [0,2,0,0,0,0|1,0,1]=4 4178 B12R1.30 COCN[C@H](C)c1ccccc1 2230a_100000751104_100000766300 [0,2,0,0,0,0|0,0,2]=4 4179 B12R1.30 CSCN[C@H](C)c1ccccc1 2230a_100000751104_100011218213 [0,2,0,0,0,0|0,1,1]=4 4180 B12R1.30 C[C@@H](NCC#N)c1ccccc1 2230a_100000751104_100011215382 [0,2,0,0,0,0|1,0,1]=4 4181 B12R1.30 C[C@@H](NCC=O)c1ccccc1 2230a_100000751104_200015260668 [0,2,0,0,0,0|0,0,0]=2 4182 B12R1.30 C[C@@H](NCC=O)c1cnccn1 2230a_100020589798_200015260668 [0,2,0,0,0,0|2,0,0]=4 4183 B12R1.30 C[C@@H](NCCF)c1ccccc1 2230a_100000751104_100011217306 [0,2,0,0,0,0|1,0,1]=4 4184 B12R1.30 C[C@@H](NCCO)c1ccccc1 2230a_100000751104_100000211926 [0,2,0,0,0,0|0,0,2]=4 4185 B12R1.30 C[C@@H](OCC=O)c1ccccc1 34a_100000761318_200009817547 [0,2,0,0,0,0|1,0,0]=3 4186 B12R1.30 C[C@@H](OCC=O)c1ccccc1 7a_100000761318_200015260668 [0,2,0,0,0,0|1,0,0]=3 4187 B12R1.34 C=CC(=O)C(C)c1ccccc1 1458a_100000185746_100000230085 [0,2,0,0,0,0|2,0,0]=4 4188 B12R1.34 CC(c1ccccc1)N(C)CF 269982a_100000195388_100015361967 [0,2,0,0,0,0|1,0,1]=4 4189 B12R1.34 CCN(C)C(C)c1ccccc1 2230a_100000195388_100000210202 [0,2,0,0,0,0|1,0,1]=4 4190 B12R1.34 CCN(C)C(C)c1ccccc1 2230a_100000225621_100000230085 [0,2,0,0,0,0|1,0,1]=4 4191 B12R1.34 CCN(C)C(C)c1ccccc1 269982a_100000195388_100000204670 [0,2,0,0,0,0|1,0,1]=4 4192 B12R1.34 CCN(C)C(C)c1ccccc1 269982a_100000225621_100000230085 [0,2,0,0,0,0|1,0,1]=4 4193 B12R1.39 CCNC(C)(C)c1ccccc1 2230a_100011218174_100000210202 [0,2,0,0,0,0|1,0,1]=4 4194 B12R1.39 CCNC(C)(C)c1ccccc1 2230a_100015525214_100000034625 [0,2,0,0,0,0|1,0,1]=4 4195 B12R1.107 CC(=CC(=O)[13CH3])c1ccccc1 1458a_100000743005_200025704644 [0,2,0,0,0,0|1,0,1]=4 4196 B12R1.107 CC(=O)C=C(C)c1ccccc1 1458a_100000743005_200000210301 [0,2,0,0,0,0|1,0,1]=4 4197 B12R1.107 CC(=O)CC(=O)c1ccccc1 1458a_100000070787_100000211460 [0,2,0,0,0,0|1,0,1]=4 4198 B12R1.107 CC(=O)CC(C)c1ccccc1 1458a_100000070787_100000756946 [0,2,0,0,0,0|1,0,0]=3 4199 B12R1.107 CC(=O)CC(C)c1ccccc1 1458a_100000183687_200000210301 [0,2,0,0,0,0|1,0,0]=3 4200 B12R1.107 CC(=O)CC(O)c1ccccc1 1458a_100000070787_100000185958 [0,2,0,0,0,0|1,0,0]=3 4201 B12R1.107 CC(=O)CC(O)c1ccccc1 1458a_100000690199_200000210301 [0,2,0,0,0,0|1,0,0]=3 4202 B12R1.107 CC(=O)CN(C)c1ccccc1 1458a_100000745425_200000210301 [0,2,0,0,0,0|2,0,0]=4 4203 B12R1.107 CC(=O)C[C@@H](O)c1ccccc1 1458a_100000070787_100011933945 [0,2,0,0,0,0|1,0,0]=3 4204 B12R1.107 CC(=O)NC(C)c1ccccn1 11a_100000181244_100015343762 [0,2,0,0,0,0|1,0,0]=3 4205 B12R1.107 CC(=O)NC(C)c1ccccn1 1626a_100000181244_100015343762 [0,2,0,0,0,0|1,0,0]=3 4206 B12R1.107 CC(=O)NC(C)c1ccccn1 240690a_100000181244_100015343762 [0,2,0,0,0,0|1,0,0]=3 4207 B12R1.107 CC(=O)NC(C)c1ccccn1 527a_100000181244_100103153847 [0,2,0,0,0,0|1,0,0]=3 4208 B12R1.107 CC(=O)NC(C)c1cccnc1 11a_100000195435_100015343762 [0,2,0,0,0,0|1,0,0]=3 4209 B12R1.107 CC(=O)NC(C)c1cccnc1 240690a_100000195435_100015343762 [0,2,0,0,0,0|1,0,0]=3 4210 B12R1.107 CC(=O)NC(C)c1cccnc1 527a_100000195435_100103153847 [0,2,0,0,0,0|1,0,0]=3 4211 B12R1.107 CC(=O)NC(C)c1ccncc1 240690a_100000181269_100015343762 [0,2,0,0,0,0|1,0,0]=3 4212 B12R1.107 CC(=O)NC(C)c1ccncc1 527a_100000181269_100103153847 [0,2,0,0,0,0|1,0,0]=3 4213 B12R1.107 CC(=O)NC(C)c1ncccn1 11a_100020641698_100015343762 [0,2,0,0,0,0|2,0,0]=4 4214 B12R1.107 CC(=O)NC(C)c1ncccn1 1626a_100020641698_100015343762 [0,2,0,0,0,0|2,0,0]=4 4215 B12R1.107 CC(=O)NC(C)c1ncccn1 240690a_100020641698_100015343762 [0,2,0,0,0,0|2,0,0]=4 4216 B12R1.107 CC(=O)NC(C)c1ncccn1 527a_100020641698_100103153847 [0,2,0,0,0,0|2,0,0]=4 4217 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 11a_100000751104_100015343762 [0,2,0,0,0,0|0,0,0]=2 4218 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 1626a_100000751104_100015343762 [0,2,0,0,0,0|0,0,0]=2 4219 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 240690a_100000751104_100015343762 [0,2,0,0,0,0|0,0,0]=2 4220 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 527a_100000751104_100103153847 [0,2,0,0,0,0|0,0,0]=2 4221 B12R1.107 CC(=O)N[C@H](C)c1cnccn1 11a_100020589798_100015343762 [0,2,0,0,0,0|2,0,0]=4 4222 B12R1.107 CC(=O)N[C@H](C)c1cnccn1 240690a_100020589798_100015343762 [0,2,0,0,0,0|2,0,0]=4 4223 B12R1.107 CC(=O)N[C@H](C)c1cnccn1 527a_100020589798_100103153847 [0,2,0,0,0,0|2,0,0]=4 4224 B12R1.107 CC(C)NC(C)c1ccccc1 2230a_100138425928_100000230085 [0,2,0,0,0,0|1,0,1]=4 4225 B12R1.107 CC(C)NC(C)c1ccccc1 34a_100138425928_100000211855 [0,2,0,0,0,0|1,0,1]=4 4226 B12R1.107 CC(C)N[C@H](C)c1ccccc1 2230a_100000751104_100000210206 [0,2,0,0,0,0|1,0,1]=4 4227 B12R1.107 CC(CC(=O)[13CH3])c1ccccc1 1458a_100000183687_200025704644 [0,2,0,0,0,0|1,0,0]=3 4228 B12R1.107 CN(CC(=O)N)c1ccccc1 2230a_100000210012_100000747473 [0,2,0,0,0,0|2,0,0]=4 4229 B12R1.107 CN(CC(=O)N)c1ccccc1 2230a_100000212578_200000210301 [0,2,0,0,0,0|2,0,0]=4 4230 B12R1.107 CN(CC(=O)N)c1ccccc1 269982a_100000210012_100000187820 [0,2,0,0,0,0|2,0,0]=4 4231 B12R1.107 CN(CC(=O)N)c1ccccc1 269982a_100000212578_200000210301 [0,2,0,0,0,0|2,0,0]=4 4232 B12R1.107 CN(CC(=O)N)c1ccccc1 34a_100000210012_100000187820 [0,2,0,0,0,0|2,0,0]=4 4233 B12R1.107 CN(CC(=O)O)c1ccccc1 269956a_100000212060_200000210301 [0,2,0,0,0,0|2,0,0]=4 4234 B12R1.107 CN(CC(=O)[13CH3])c1ccccc1 1458a_100000745425_200025704644 [0,2,0,0,0,0|2,0,0]=4 4235 B12R1.107 CN(CC(=O)[O-])c1ccccc1 269982a_100000210012_100020667443 [0,2,0,0,0,0|2,0,0]=4 4236 B12R1.107 CN(CC(=O)[O-])c1ccccc1 34a_100000210012_100020667443 [0,2,0,0,0,0|2,0,0]=4 4237 B12R1.107 NC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000187820 [0,2,0,0,0,0|1,0,1]=4 4238 B12R1.107 O=C([O-])CC(=O)c1ccccc1 1458a_100000185807_100020667443 [0,2,0,0,0,0|1,0,1]=4 4239 B12R1.107 [13CH3]C(=O)CC(O)c1ccccc1 1458a_100000690199_200025704644 [0,2,0,0,0,0|1,0,0]=3 4240 B12R1.107 [13CH3]N(CC(=O)N)c1ccccc1 2230a_100000212578_200025704644 [0,2,0,0,0,0|2,0,0]=4 4241 B12R1.107 [13CH3]N(CC(=O)N)c1ccccc1 269982a_100000212578_200025704644 [0,2,0,0,0,0|2,0,0]=4 4242 B12R1.107 [13CH3]N(CC(=O)O)c1ccccc1 269956a_100000212060_200025704644 [0,2,0,0,0,0|2,0,0]=4 4243 B12R1.308 CC(NCF)c1ccccc1Cl 34a_100000174978_100015361967 [0,2,0,0,0,0|1,0,1]=4 4244 B12R1.308 CC(NCF)c1ccccc1F 34a_100000181408_100015361967 [0,2,0,0,0,0|1,0,1]=4 4245 B12R1.308 CCNC(C)c1ccccc1Br 2230a_100000181357_100000210202 [0,2,0,0,0,0|1,0,1]=4 4246 B12R1.308 CCNC(C)c1ccccc1Br 269862a_100015525214_100000187085 [0,2,0,0,0,0|1,0,1]=4 4247 B12R1.308 CCNC(C)c1ccccc1C 2230a_100000181355_100000210202 [0,2,0,0,0,0|1,0,1]=4 4248 B12R1.308 CCNC(C)c1ccccc1C 269862a_100015525214_100000211656 [0,2,0,0,0,0|1,0,1]=4 4249 B12R1.308 CCNC(C)c1ccccc1C 34a_100000181355_100000210202 [0,2,0,0,0,0|1,0,1]=4 4250 B12R1.308 CCNC(C)c1ccccc1Cl 2230a_100000174978_100000210202 [0,2,0,0,0,0|1,0,1]=4 4251 B12R1.308 CCNC(C)c1ccccc1Cl 2230a_100015525214_100000181259 [0,2,0,0,0,0|1,0,1]=4 4252 B12R1.308 CCNC(C)c1ccccc1Cl 269862a_100015525214_100000210134 [0,2,0,0,0,0|1,0,1]=4 4253 B12R1.308 CCNC(C)c1ccccc1Cl 34a_100000174978_100000210202 [0,2,0,0,0,0|1,0,1]=4 4254 B12R1.308 CCNC(C)c1ccccc1F 2230a_100000181408_100000210202 [0,2,0,0,0,0|1,0,1]=4 4255 B12R1.308 CCNC(C)c1ccccc1F 2230a_100015525214_200000741388 [0,2,0,0,0,0|1,0,1]=4 4256 B12R1.308 CCNC(C)c1ccccc1F 269862a_100015525214_100000210632 [0,2,0,0,0,0|1,0,1]=4 4257 B12R1.308 CCNC(C)c1ccccc1F 34a_100000181408_100000210202 [0,2,0,0,0,0|1,0,1]=4 4258 B12R1.308 CCNC(C)c1ccccc1I 269862a_100015525214_100000751169 [0,2,0,0,0,0|1,0,1]=4 4259 B12R1.308 CCN[C@H](C)c1ccccc1O 2230a_100025703389_100000210202 [0,2,0,0,0,0|1,0,1]=4 4260 B12R1.308 CN(CC=O)c1ccccc1Br 2230a_100020606079_200015260668 [0,2,0,0,0,0|2,0,0]=4 4261 B12R1.308 CN(CC=O)c1ccccc1Br 269982a_100020606079_200015260668 [0,2,0,0,0,0|2,0,0]=4 4262 B12R1.308 CN(CC=O)c1ccccc1Br 34a_100020606079_200009817547 [0,2,0,0,0,0|2,0,0]=4 4263 B12R1.308 CN(CC=O)c1ccccc1Cl 2230a_100000219374_200015260668 [0,2,0,0,0,0|2,0,0]=4 4264 B12R1.308 CN(CC=O)c1ccccc1Cl 269982a_100000219374_200015260668 [0,2,0,0,0,0|2,0,0]=4 4265 B12R1.308 CN(CC=O)c1ccccc1Cl 34a_100000219374_200009817547 [0,2,0,0,0,0|2,0,0]=4 4266 B12R1.308 CN(CC=O)c1ccccc1F 2230a_100000220357_200015260668 [0,2,0,0,0,0|2,0,0]=4 4267 B12R1.308 CN(CC=O)c1ccccc1F 269982a_100000220357_200015260668 [0,2,0,0,0,0|2,0,0]=4 4268 B12R1.308 CN(CC=O)c1ccccc1F 34a_100000220357_200009817547 [0,2,0,0,0,0|2,0,0]=4 4269 B12R1.308 CN(CC=O)c1ccccc1O 269982a_100000033821_200015260668 [0,2,0,0,0,0|2,0,0]=4 4270 B12R1.308 Cc1ccccc1C(C)NCF 34a_100000181355_100015361967 [0,2,0,0,0,0|1,0,1]=4 4271 B12R1.308 Cc1ccccc1N(C)CC=O 2230a_100000219699_200015260668 [0,2,0,0,0,0|2,0,0]=4 4272 B12R1.308 Cc1ccccc1N(C)CC=O 269982a_100000219699_200015260668 [0,2,0,0,0,0|2,0,0]=4 4273 B12R1.308 Cc1ccccc1N(C)CC=O 34a_100000219699_200009817547 [0,2,0,0,0,0|2,0,0]=4 4274 B12R1.25 CCNCc1cccc(c1Br)Br 207a_100015525214_100010240334 [0,2,0,0,0,0|1,0,1]=4 4275 B12R1.25 CCNCc1cccc(c1Br)Br 270004a_100015525214_100010240334 [0,2,0,0,0,0|1,0,1]=4 4276 B12R1.25 CCNCc1cccc(c1Br)C 207a_100015525214_100012186367 [0,2,0,0,0,0|1,0,1]=4 4277 B12R1.25 CCNCc1cccc(c1Br)C 2230a_100015525214_200012349612 [0,2,0,0,0,0|1,0,1]=4 4278 B12R1.25 CCNCc1cccc(c1Br)C 270004a_100015525214_100012186367 [0,2,0,0,0,0|1,0,1]=4 4279 B12R1.25 CCNCc1cccc(c1Br)Cl 207a_100015525214_100010232083 [0,2,0,0,0,0|1,0,1]=4 4280 B12R1.25 CCNCc1cccc(c1Br)Cl 2230a_100015525214_100010145525 [0,2,0,0,0,0|1,0,1]=4 4281 B12R1.25 CCNCc1cccc(c1Br)Cl 270004a_100015525214_100010232083 [0,2,0,0,0,0|1,0,1]=4 4282 B12R1.25 CCNCc1cccc(c1Br)F 207a_100015525214_100011934749 [0,2,0,0,0,0|1,0,1]=4 4283 B12R1.25 CCNCc1cccc(c1Br)F 2230a_100015525214_100012351116 [0,2,0,0,0,0|1,0,1]=4 4284 B12R1.25 CCNCc1cccc(c1Br)F 2230a_100020638964_100000210202 [0,2,0,0,0,0|1,0,1]=4 4285 B12R1.25 CCNCc1cccc(c1Br)F 270004a_100015525214_100011934749 [0,2,0,0,0,0|1,0,1]=4 4286 B12R1.25 CCNCc1cccc(c1Br)F 34a_100020638964_100000210202 [0,2,0,0,0,0|1,0,1]=4 4287 B12R1.25 CCNCc1cccc(c1Br)I 2230a_100015525214_100010254545 [0,2,0,0,0,0|1,0,1]=4 4288 B12R1.25 CCNCc1cccc(c1C)Br 207a_100015525214_100012179384 [0,2,0,0,0,0|1,0,1]=4 4289 B12R1.25 CCNCc1cccc(c1C)Br 2230a_100015525214_100000694682 [0,2,0,0,0,0|1,0,1]=4 4290 B12R1.25 CCNCc1cccc(c1C)Br 270004a_100015525214_100012179384 [0,2,0,0,0,0|1,0,1]=4 4291 B12R1.25 CCNCc1cccc(c1C)Br 34a_100000724210_100000210202 [0,2,0,0,0,0|1,0,1]=4 4292 B12R1.25 CCNCc1cccc(c1C)C 207a_100015525214_100000229941 [0,2,0,0,0,0|1,0,1]=4 4293 B12R1.25 CCNCc1cccc(c1C)C 2230a_100011211637_100000210202 [0,2,0,0,0,0|1,0,1]=4 4294 B12R1.25 CCNCc1cccc(c1C)C 2230a_100015525214_100011515928 [0,2,0,0,0,0|1,0,1]=4 4295 B12R1.25 CCNCc1cccc(c1C)C 270004a_100015525214_100000229941 [0,2,0,0,0,0|1,0,1]=4 4296 B12R1.25 CCNCc1cccc(c1C)C 34a_100011211637_100000210202 [0,2,0,0,0,0|1,0,1]=4 4297 B12R1.25 CCNCc1cccc(c1C)Cl 207a_100015525214_100012002129 [0,2,0,0,0,0|1,0,1]=4 4298 B12R1.25 CCNCc1cccc(c1C)Cl 2230a_100015525214_100012186920 [0,2,0,0,0,0|1,0,1]=4 4299 B12R1.25 CCNCc1cccc(c1C)Cl 2230a_100020639605_100000210202 [0,2,0,0,0,0|1,0,1]=4 4300 B12R1.25 CCNCc1cccc(c1C)Cl 270004a_100015525214_100012002129 [0,2,0,0,0,0|1,0,1]=4 4301 B12R1.25 CCNCc1cccc(c1C)Cl 34a_100020639605_100000210202 [0,2,0,0,0,0|1,0,1]=4 4302 B12R1.25 CCNCc1cccc(c1C)F 207a_100015525214_100000037668 [0,2,0,0,0,0|1,0,1]=4 4303 B12R1.25 CCNCc1cccc(c1C)F 2230a_100015525214_100009813626 [0,2,0,0,0,0|1,0,1]=4 4304 B12R1.25 CCNCc1cccc(c1C)F 2230a_100132306986_100000210202 [0,2,0,0,0,0|1,0,1]=4 4305 B12R1.25 CCNCc1cccc(c1C)F 270004a_100015525214_100000037668 [0,2,0,0,0,0|1,0,1]=4 4306 B12R1.25 CCNCc1cccc(c1C)F 34a_100132306986_100000210202 [0,2,0,0,0,0|1,0,1]=4 4307 B12R1.25 CCNCc1cccc(c1C)I 2230a_100015525214_100010150147 [0,2,0,0,0,0|1,0,1]=4 4308 B12R1.25 CCNCc1cccc(c1C)O 270004a_100015525214_100009868165 [0,2,0,0,0,0|1,0,1]=4 4309 B12R1.25 CCNCc1cccc(c1Cl)Br 207a_100015525214_100012362481 [0,2,0,0,0,0|1,0,1]=4 4310 B12R1.25 CCNCc1cccc(c1Cl)Br 2230a_100015525214_100012349491 [0,2,0,0,0,0|1,0,1]=4 4311 B12R1.25 CCNCc1cccc(c1Cl)Br 270004a_100015525214_100012362481 [0,2,0,0,0,0|1,0,1]=4 4312 B12R1.25 CCNCc1cccc(c1Cl)C 207a_100015525214_100012017286 [0,2,0,0,0,0|1,0,1]=4 4313 B12R1.25 CCNCc1cccc(c1Cl)C 2230a_100025705714_100000210202 [0,2,0,0,0,0|1,0,1]=4 4314 B12R1.25 CCNCc1cccc(c1Cl)C 270004a_100015525214_100012017286 [0,2,0,0,0,0|1,0,1]=4 4315 B12R1.25 CCNCc1cccc(c1Cl)C 34a_100025705714_100000210202 [0,2,0,0,0,0|1,0,1]=4 4316 B12R1.25 CCNCc1cccc(c1Cl)Cl 207a_100015525214_100000210504 [0,2,0,0,0,0|1,0,1]=4 4317 B12R1.25 CCNCc1cccc(c1Cl)Cl 2230a_100011211633_100000210202 [0,2,0,0,0,0|1,0,1]=4 4318 B12R1.25 CCNCc1cccc(c1Cl)Cl 2230a_100015525214_100000723366 [0,2,0,0,0,0|1,0,1]=4 4319 B12R1.25 CCNCc1cccc(c1Cl)Cl 270004a_100015525214_100000210504 [0,2,0,0,0,0|1,0,1]=4 4320 B12R1.25 CCNCc1cccc(c1Cl)Cl 34a_100011211633_100000210202 [0,2,0,0,0,0|1,0,1]=4 4321 B12R1.25 CCNCc1cccc(c1Cl)F 207a_100015525214_100011998484 [0,2,0,0,0,0|1,0,1]=4 4322 B12R1.25 CCNCc1cccc(c1Cl)F 2230a_100012001614_100000210202 [0,2,0,0,0,0|1,0,1]=4 4323 B12R1.25 CCNCc1cccc(c1Cl)F 2230a_100015525214_100000696688 [0,2,0,0,0,0|1,0,1]=4 4324 B12R1.25 CCNCc1cccc(c1Cl)F 270004a_100015525214_100011998484 [0,2,0,0,0,0|1,0,1]=4 4325 B12R1.25 CCNCc1cccc(c1Cl)F 34a_100012001614_100000210202 [0,2,0,0,0,0|1,0,1]=4 4326 B12R1.25 CCNCc1cccc(c1Cl)O 270004a_100015525214_100000050521 [0,2,0,0,0,0|1,0,1]=4 4327 B12R1.25 CCNCc1cccc(c1F)Br 207a_100015525214_100011361543 [0,2,0,0,0,0|1,0,1]=4 4328 B12R1.25 CCNCc1cccc(c1F)Br 2230a_100015189953_100000210202 [0,2,0,0,0,0|1,0,1]=4 4329 B12R1.25 CCNCc1cccc(c1F)Br 2230a_100015525214_100012356506 [0,2,0,0,0,0|1,0,1]=4 4330 B12R1.25 CCNCc1cccc(c1F)Br 270004a_100015525214_100011361543 [0,2,0,0,0,0|1,0,1]=4 4331 B12R1.25 CCNCc1cccc(c1F)Br 34a_100015189953_100000210202 [0,2,0,0,0,0|1,0,1]=4 4332 B12R1.25 CCNCc1cccc(c1F)C 207a_100015525214_100011219516 [0,2,0,0,0,0|1,0,1]=4 4333 B12R1.25 CCNCc1cccc(c1F)C 2230a_100012002060_100000210202 [0,2,0,0,0,0|1,0,1]=4 4334 B12R1.25 CCNCc1cccc(c1F)C 2230a_100015525214_100011216058 [0,2,0,0,0,0|1,0,1]=4 4335 B12R1.25 CCNCc1cccc(c1F)C 270004a_100015525214_100011219516 [0,2,0,0,0,0|1,0,1]=4 4336 B12R1.25 CCNCc1cccc(c1F)C 34a_100012002060_100000210202 [0,2,0,0,0,0|1,0,1]=4 4337 B12R1.25 CCNCc1cccc(c1F)Cl 207a_100015525214_100000766533 [0,2,0,0,0,0|1,0,1]=4 4338 B12R1.25 CCNCc1cccc(c1F)Cl 2230a_100000764326_100000210202 [0,2,0,0,0,0|1,0,1]=4 4339 B12R1.25 CCNCc1cccc(c1F)Cl 2230a_100015525214_100000716733 [0,2,0,0,0,0|1,0,1]=4 4340 B12R1.25 CCNCc1cccc(c1F)Cl 270004a_100015525214_100000766533 [0,2,0,0,0,0|1,0,1]=4 4341 B12R1.25 CCNCc1cccc(c1F)Cl 34a_100000764326_100000210202 [0,2,0,0,0,0|1,0,1]=4 4342 B12R1.25 CCNCc1cccc(c1F)F 207a_100015525214_100000753312 [0,2,0,0,0,0|1,0,1]=4 4343 B12R1.25 CCNCc1cccc(c1F)F 2230a_100011199105_100000210202 [0,2,0,0,0,0|1,0,1]=4 4344 B12R1.25 CCNCc1cccc(c1F)F 2230a_100015525214_100000217499 [0,2,0,0,0,0|1,0,1]=4 4345 B12R1.25 CCNCc1cccc(c1F)F 270004a_100015525214_100000753312 [0,2,0,0,0,0|1,0,1]=4 4346 B12R1.25 CCNCc1cccc(c1F)F 34a_100011199105_100000210202 [0,2,0,0,0,0|1,0,1]=4 4347 B12R1.25 CCNCc1cccc(c1F)I 207a_100015525214_100010202174 [0,2,0,0,0,0|1,0,1]=4 4348 B12R1.25 CCNCc1cccc(c1F)I 270004a_100015525214_100010202174 [0,2,0,0,0,0|1,0,1]=4 4349 B12R1.25 CCNCc1cccc(c1F)O 34a_100025773512_100000210202 [0,2,0,0,0,0|1,0,1]=4 4350 B12R1.25 CCNCc1cccc(c1I)F 207a_100015525214_100010186293 [0,2,0,0,0,0|1,0,1]=4 4351 B12R1.25 CCNCc1cccc(c1I)F 2230a_100015525214_100010149603 [0,2,0,0,0,0|1,0,1]=4 4352 B12R1.25 CCNCc1cccc(c1I)F 270004a_100015525214_100010186293 [0,2,0,0,0,0|1,0,1]=4 4353 B12R1.25 CCNCc1cccc(c1O)C 34a_100020639391_100000210202 [0,2,0,0,0,0|1,0,1]=4 4354 B12R1.25 Cc1c(cccc1CNCF)Br 34a_100000724210_100015361967 [0,2,0,0,0,0|1,0,1]=4 4355 B12R1.25 Cc1c(cccc1CNCF)Cl 34a_100020639605_100015361967 [0,2,0,0,0,0|1,0,1]=4 4356 B12R1.25 Cc1c(cccc1CNCF)F 34a_100132306986_100015361967 [0,2,0,0,0,0|1,0,1]=4 4357 B12R1.25 Cc1c(cccc1NCC=O)Br 34a_100000750434_200009817547 [0,2,0,0,0,0|2,0,0]=4 4358 B12R1.25 Cc1c(cccc1NCC=O)Cl 2230a_100000210441_200015260668 [0,2,0,0,0,0|2,0,0]=4 4359 B12R1.25 Cc1c(cccc1NCC=O)Cl 34a_100000210441_200009817547 [0,2,0,0,0,0|2,0,0]=4 4360 B12R1.25 Cc1c(cccc1NCC=O)Cl 7a_100000210441_200015260668 [0,2,0,0,0,0|2,0,0]=4 4361 B12R1.25 Cc1c(cccc1NCC=O)F 34a_100000745574_200009817547 [0,2,0,0,0,0|2,0,0]=4 4362 B12R1.25 Cc1c(cccc1NCC=O)F 7a_100000745574_200015260668 [0,2,0,0,0,0|2,0,0]=4 4363 B12R1.25 Cc1c(cccc1NCC=O)I 34a_100000761887_200009817547 [0,2,0,0,0,0|2,0,0]=4 4364 B12R1.25 Cc1c(cccc1NCC=O)O 34a_100011216573_200009817547 [0,2,0,0,0,0|2,0,0]=4 4365 B12R1.25 Cc1c(cccc1NCC=O)O 7a_100011216573_200015260668 [0,2,0,0,0,0|2,0,0]=4 4366 B12R1.25 Cc1c(cccc1OCC=O)Br 34a_100012002258_200009817547 [0,2,0,0,0,0|2,0,0]=4 4367 B12R1.25 Cc1c(cccc1OCC=O)Br 7a_100012002258_200015260668 [0,2,0,0,0,0|2,0,0]=4 4368 B12R1.25 Cc1c(cccc1OCC=O)Cl 34a_100011265684_200009817547 [0,2,0,0,0,0|2,0,0]=4 4369 B12R1.25 Cc1c(cccc1OCC=O)Cl 7a_100011265684_200015260668 [0,2,0,0,0,0|2,0,0]=4 4370 B12R1.25 Cc1c(cccc1OCC=O)F 34a_100011217231_200009817547 [0,2,0,0,0,0|2,0,0]=4 4371 B12R1.25 Cc1c(cccc1OCC=O)F 7a_100011217231_200015260668 [0,2,0,0,0,0|2,0,0]=4 4372 B12R1.25 Cc1c(cccc1OCC=O)N 34a_100011216573_200009817547 [0,2,0,0,0,0|2,0,0]=4 4373 B12R1.25 Cc1c(cccc1OCC=O)N 7a_100011216573_200015260668 [0,2,0,0,0,0|2,0,0]=4 4374 B12R1.25 Cc1c(cccc1SCC=O)Br 62a_100012353703_200015260668 [0,2,0,0,0,0|2,0,0]=4 4375 B12R1.25 Cc1c(cccc1SCC=O)Br 62a_200015260668_100012353703 [0,2,0,0,0,0|2,0,0]=4 4376 B12R1.25 Cc1c(cccc1SCC=O)Cl 62a_100000726075_200015260668 [0,2,0,0,0,0|2,0,0]=4 4377 B12R1.25 Cc1c(cccc1SCC=O)Cl 62a_200015260668_100000726075 [0,2,0,0,0,0|2,0,0]=4 4378 B12R1.25 Cc1c(cccc1SCC=O)F 62a_100011216893_200015260668 [0,2,0,0,0,0|2,0,0]=4 4379 B12R1.25 Cc1c(cccc1SCC=O)F 62a_200015260668_100011216893 [0,2,0,0,0,0|2,0,0]=4 4380 B12R1.25 Cc1c(cccc1SCC=O)N 62a_100000761887_200015260668 [0,2,0,0,0,0|2,0,0]=4 4381 B12R1.25 Cc1c(cccc1SCC=O)N 62a_200015260668_100000761887 [0,2,0,0,0,0|2,0,0]=4 4382 B12R1.25 Cc1c(cccc1SCC=O)O 62a_100012002258_200015260668 [0,2,0,0,0,0|2,0,0]=4 4383 B12R1.25 Cc1c(cccc1SCC=O)O 62a_200015260668_100012002258 [0,2,0,0,0,0|2,0,0]=4 4384 B12R1.25 Cc1cccc(c1Br)NCC=O 34a_100000684715_200009817547 [0,2,0,0,0,0|2,0,0]=4 4385 B12R1.25 Cc1cccc(c1Br)OCC=O 34a_100000686692_200009817547 [0,2,0,0,0,0|2,0,0]=4 4386 B12R1.25 Cc1cccc(c1Br)OCC=O 7a_100000686692_200015260668 [0,2,0,0,0,0|2,0,0]=4 4387 B12R1.25 Cc1cccc(c1Br)SCC=O 62a_100012362457_200015260668 [0,2,0,0,0,0|2,0,0]=4 4388 B12R1.25 Cc1cccc(c1Br)SCC=O 62a_200015260668_100012362457 [0,2,0,0,0,0|2,0,0]=4 4389 B12R1.25 Cc1cccc(c1C)CNCF 34a_100011211637_100015361967 [0,2,0,0,0,0|1,0,1]=4 4390 B12R1.25 Cc1cccc(c1C)NCC=O 2230a_100000210026_200015260668 [0,2,0,0,0,0|2,0,0]=4 4391 B12R1.25 Cc1cccc(c1C)NCC=O 34a_100000210026_200009817547 [0,2,0,0,0,0|2,0,0]=4 4392 B12R1.25 Cc1cccc(c1C)NCC=O 7a_100000210026_200015260668 [0,2,0,0,0,0|2,0,0]=4 4393 B12R1.25 Cc1cccc(c1C)OCC=O 34a_100000185855_200009817547 [0,2,0,0,0,0|2,0,0]=4 4394 B12R1.25 Cc1cccc(c1C)OCC=O 7a_100000185855_200015260668 [0,2,0,0,0,0|2,0,0]=4 4395 B12R1.25 Cc1cccc(c1C)SCC=O 62a_100011214922_200015260668 [0,2,0,0,0,0|2,0,0]=4 4396 B12R1.25 Cc1cccc(c1C)SCC=O 62a_200015260668_100011214922 [0,2,0,0,0,0|2,0,0]=4 4397 B12R1.25 Cc1cccc(c1Cl)CNCF 34a_100025705714_100015361967 [0,2,0,0,0,0|1,0,1]=4 4398 B12R1.25 Cc1cccc(c1Cl)NCC=O 34a_100000765562_200009817547 [0,2,0,0,0,0|2,0,0]=4 4399 B12R1.25 Cc1cccc(c1Cl)NCC=O 7a_100000765562_200015260668 [0,2,0,0,0,0|2,0,0]=4 4400 B12R1.25 Cc1cccc(c1Cl)OCC=O 34a_100000695629_200009817547 [0,2,0,0,0,0|2,0,0]=4 4401 B12R1.25 Cc1cccc(c1Cl)OCC=O 7a_100000695629_200015260668 [0,2,0,0,0,0|2,0,0]=4 4402 B12R1.25 Cc1cccc(c1Cl)SCC=O 62a_200012352035_200015260668 [0,2,0,0,0,0|2,0,0]=4 4403 B12R1.25 Cc1cccc(c1Cl)SCC=O 62a_200015260668_200012352035 [0,2,0,0,0,0|2,0,0]=4 4404 B12R1.25 Cc1cccc(c1F)CNCF 34a_100012002060_100015361967 [0,2,0,0,0,0|1,0,1]=4 4405 B12R1.25 Cc1cccc(c1F)NCC=O 2230a_100000697159_200015260668 [0,2,0,0,0,0|2,0,0]=4 4406 B12R1.25 Cc1cccc(c1F)NCC=O 34a_100000697159_200009817547 [0,2,0,0,0,0|2,0,0]=4 4407 B12R1.25 Cc1cccc(c1F)NCC=O 7a_100000697159_200015260668 [0,2,0,0,0,0|2,0,0]=4 4408 B12R1.25 Cc1cccc(c1F)OCC=O 34a_100000751311_200009817547 [0,2,0,0,0,0|2,0,0]=4 4409 B12R1.25 Cc1cccc(c1F)OCC=O 7a_100000751311_200015260668 [0,2,0,0,0,0|2,0,0]=4 4410 B12R1.25 Cc1cccc(c1F)SCC=O 62a_100000717567_200015260668 [0,2,0,0,0,0|2,0,0]=4 4411 B12R1.25 Cc1cccc(c1F)SCC=O 62a_200015260668_100000717567 [0,2,0,0,0,0|2,0,0]=4 4412 B12R1.25 Cc1cccc(c1I)NCC=O 34a_100000761888_200009817547 [0,2,0,0,0,0|2,0,0]=4 4413 B12R1.25 Cc1cccc(c1I)OCC=O 34a_100010083724_200009817547 [0,2,0,0,0,0|2,0,0]=4 4414 B12R1.25 Cc1cccc(c1I)OCC=O 7a_100010083724_200015260668 [0,2,0,0,0,0|2,0,0]=4 4415 B12R1.25 Cc1cccc(c1N)OCC=O 34a_100000743429_200009817547 [0,2,0,0,0,0|2,0,0]=4 4416 B12R1.25 Cc1cccc(c1N)OCC=O 7a_100000743429_200015260668 [0,2,0,0,0,0|2,0,0]=4 4417 B12R1.25 Cc1cccc(c1N)SCC=O 62a_100011834072_200015260668 [0,2,0,0,0,0|2,0,0]=4 4418 B12R1.25 Cc1cccc(c1N)SCC=O 62a_200015260668_100011834072 [0,2,0,0,0,0|2,0,0]=4 4419 B12R1.25 Cc1cccc(c1O)CNCF 34a_100020639391_100015361967 [0,2,0,0,0,0|1,0,1]=4 4420 B12R1.25 Cc1cccc(c1O)NCC=O 34a_100000756359_200009817547 [0,2,0,0,0,0|2,0,0]=4 4421 B12R1.25 Cc1cccc(c1O)SCC=O 62a_100009817157_200015260668 [0,2,0,0,0,0|2,0,0]=4 4422 B12R1.25 Cc1cccc(c1O)SCC=O 62a_200015260668_100009817157 [0,2,0,0,0,0|2,0,0]=4 4423 B12R1.25 FCNCc1cccc(c1Br)F 34a_100020638964_100015361967 [0,2,0,0,0,0|1,0,1]=4 4424 B12R1.25 FCNCc1cccc(c1Cl)Cl 34a_100011211633_100015361967 [0,2,0,0,0,0|1,0,1]=4 4425 B12R1.25 FCNCc1cccc(c1Cl)F 34a_100012001614_100015361967 [0,2,0,0,0,0|1,0,1]=4 4426 B12R1.25 FCNCc1cccc(c1F)Br 34a_100015189953_100015361967 [0,2,0,0,0,0|1,0,1]=4 4427 B12R1.25 FCNCc1cccc(c1F)Cl 34a_100000764326_100015361967 [0,2,0,0,0,0|1,0,1]=4 4428 B12R1.25 FCNCc1cccc(c1F)F 34a_100011199105_100015361967 [0,2,0,0,0,0|1,0,1]=4 4429 B12R1.25 Nc1c(cccc1OCC=O)Br 34a_100011934926_200009817547 [0,2,0,0,0,0|2,0,0]=4 4430 B12R1.25 Nc1c(cccc1OCC=O)Br 7a_100011934926_200015260668 [0,2,0,0,0,0|2,0,0]=4 4431 B12R1.25 Nc1c(cccc1OCC=O)Cl 34a_100012022510_200009817547 [0,2,0,0,0,0|2,0,0]=4 4432 B12R1.25 Nc1c(cccc1OCC=O)Cl 7a_100012022510_200015260668 [0,2,0,0,0,0|2,0,0]=4 4433 B12R1.25 Nc1c(cccc1OCC=O)F 34a_100020591140_200009817547 [0,2,0,0,0,0|2,0,0]=4 4434 B12R1.25 Nc1c(cccc1OCC=O)F 7a_100020591140_200015260668 [0,2,0,0,0,0|2,0,0]=4 4435 B12R1.25 Nc1c(cccc1OCC=O)I 34a_200000049512_200009817547 [0,2,0,0,0,0|2,0,0]=4 4436 B12R1.25 Nc1c(cccc1OCC=O)I 7a_200000049512_200015260668 [0,2,0,0,0,0|2,0,0]=4 4437 B12R1.25 Nc1c(cccc1SCC=O)Br 62a_100010146558_200015260668 [0,2,0,0,0,0|2,0,0]=4 4438 B12R1.25 Nc1c(cccc1SCC=O)Br 62a_200015260668_100010146558 [0,2,0,0,0,0|2,0,0]=4 4439 B12R1.25 Nc1c(cccc1SCC=O)Cl 62a_100010190421_200015260668 [0,2,0,0,0,0|2,0,0]=4 4440 B12R1.25 Nc1c(cccc1SCC=O)Cl 62a_200015260668_100010190421 [0,2,0,0,0,0|2,0,0]=4 4441 B12R1.25 Nc1c(cccc1SCC=O)F 62a_100000042321_200015260668 [0,2,0,0,0,0|2,0,0]=4 4442 B12R1.25 Nc1c(cccc1SCC=O)F 62a_200015260668_100000042321 [0,2,0,0,0,0|2,0,0]=4 4443 B12R1.25 Nc1c(cccc1SCC=O)O 62a_200015260668_100011934926 [0,2,0,0,0,0|2,0,0]=4 4444 B12R1.25 Nc1cccc(c1Br)OCC=O 34a_100012183704_200009817547 [0,2,0,0,0,0|2,0,0]=4 4445 B12R1.25 Nc1cccc(c1Br)OCC=O 7a_100012183704_200015260668 [0,2,0,0,0,0|2,0,0]=4 4446 B12R1.25 Nc1cccc(c1Cl)OCC=O 34a_100012002038_200009817547 [0,2,0,0,0,0|2,0,0]=4 4447 B12R1.25 Nc1cccc(c1Cl)OCC=O 7a_100012002038_200015260668 [0,2,0,0,0,0|2,0,0]=4 4448 B12R1.25 Nc1cccc(c1F)SCC=O 62a_100011935091_200015260668 [0,2,0,0,0,0|2,0,0]=4 4449 B12R1.25 Nc1cccc(c1F)SCC=O 62a_200015260668_100011935091 [0,2,0,0,0,0|2,0,0]=4 4450 B12R1.25 Nc1cccc(c1N)OCC=O 34a_100000033209_200009817547 [0,2,0,0,0,0|2,0,0]=4 4451 B12R1.25 Nc1cccc(c1N)SCC=O 62a_100015191791_200015260668 [0,2,0,0,0,0|2,0,0]=4 4452 B12R1.25 Nc1cccc(c1O)SCC=O 62a_100011934915_200015260668 [0,2,0,0,0,0|2,0,0]=4 4453 B12R1.25 Nc1cccc(c1O)SCC=O 62a_200015260668_100010084371 [0,2,0,0,0,0|2,0,0]=4 4454 B12R1.25 O=CCNc1cccc(c1Br)Cl 34a_100000687072_200009817547 [0,2,0,0,0,0|2,0,0]=4 4455 B12R1.25 O=CCNc1cccc(c1Br)F 34a_100011934729_200009817547 [0,2,0,0,0,0|2,0,0]=4 4456 B12R1.25 O=CCNc1cccc(c1Br)O 34a_100012183704_200009817547 [0,2,0,0,0,0|2,0,0]=4 4457 B12R1.25 O=CCNc1cccc(c1Br)O 7a_100012183704_200015260668 [0,2,0,0,0,0|2,0,0]=4 4458 B12R1.25 O=CCNc1cccc(c1Cl)Br 34a_100000687075_200009817547 [0,2,0,0,0,0|2,0,0]=4 4459 B12R1.25 O=CCNc1cccc(c1Cl)Cl 34a_100000185733_200009817547 [0,2,0,0,0,0|2,0,0]=4 4460 B12R1.25 O=CCNc1cccc(c1Cl)F 34a_100000692321_200009817547 [0,2,0,0,0,0|2,0,0]=4 4461 B12R1.25 O=CCNc1cccc(c1Cl)O 34a_100012002038_200009817547 [0,2,0,0,0,0|2,0,0]=4 4462 B12R1.25 O=CCNc1cccc(c1Cl)O 7a_100012002038_200015260668 [0,2,0,0,0,0|2,0,0]=4 4463 B12R1.25 O=CCNc1cccc(c1F)Br 2230a_100011935091_200015260668 [0,2,0,0,0,0|2,0,0]=4 4464 B12R1.25 O=CCNc1cccc(c1F)Br 34a_100011935091_200009817547 [0,2,0,0,0,0|2,0,0]=4 4465 B12R1.25 O=CCNc1cccc(c1F)Cl 2230a_100000199060_200015260668 [0,2,0,0,0,0|2,0,0]=4 4466 B12R1.25 O=CCNc1cccc(c1F)Cl 34a_100000199060_200009817547 [0,2,0,0,0,0|2,0,0]=4 4467 B12R1.25 O=CCNc1cccc(c1F)F 34a_100000743855_200009817547 [0,2,0,0,0,0|2,0,0]=4 4468 B12R1.25 O=CCNc1cccc(c1I)Br 34a_100020590159_200009817547 [0,2,0,0,0,0|2,0,0]=4 4469 B12R1.25 O=CCNc1cccc(c1I)Cl 34a_100000049713_200009817547 [0,2,0,0,0,0|2,0,0]=4 4470 B12R1.25 O=CCNc1cccc(c1I)F 34a_100000690935_200009817547 [0,2,0,0,0,0|2,0,0]=4 4471 B12R1.25 O=CCNc1cccc(c1O)Br 34a_100011934915_200009817547 [0,2,0,0,0,0|2,0,0]=4 4472 B12R1.25 O=CCNc1cccc(c1O)Cl 34a_100000754742_200009817547 [0,2,0,0,0,0|2,0,0]=4 4473 B12R1.25 O=CCNc1cccc(c1O)F 34a_100011934987_200009817547 [0,2,0,0,0,0|2,0,0]=4 4474 B12R1.25 O=CCOc1cccc(c1Br)Br 34a_100010187966_200009817547 [0,2,0,0,0,0|2,0,0]=4 4475 B12R1.25 O=CCOc1cccc(c1Br)Br 7a_100010187966_200015260668 [0,2,0,0,0,0|2,0,0]=4 4476 B12R1.25 O=CCOc1cccc(c1Br)Cl 34a_100012348804_200009817547 [0,2,0,0,0,0|2,0,0]=4 4477 B12R1.25 O=CCOc1cccc(c1Br)Cl 7a_100012348804_200015260668 [0,2,0,0,0,0|2,0,0]=4 4478 B12R1.25 O=CCOc1cccc(c1Br)F 34a_100009820682_200009817547 [0,2,0,0,0,0|2,0,0]=4 4479 B12R1.25 O=CCOc1cccc(c1Br)F 7a_100009820682_200015260668 [0,2,0,0,0,0|2,0,0]=4 4480 B12R1.25 O=CCOc1cccc(c1Br)I 34a_100010187914_200009817547 [0,2,0,0,0,0|2,0,0]=4 4481 B12R1.25 O=CCOc1cccc(c1Br)I 7a_100010187914_200015260668 [0,2,0,0,0,0|2,0,0]=4 4482 B12R1.25 O=CCOc1cccc(c1Cl)Br 34a_100010187913_200009817547 [0,2,0,0,0,0|2,0,0]=4 4483 B12R1.25 O=CCOc1cccc(c1Cl)Br 7a_100010187913_200015260668 [0,2,0,0,0,0|2,0,0]=4 4484 B12R1.25 O=CCOc1cccc(c1Cl)Cl 34a_100000211076_200009817547 [0,2,0,0,0,0|2,0,0]=4 4485 B12R1.25 O=CCOc1cccc(c1Cl)Cl 7a_100000211076_200015260668 [0,2,0,0,0,0|2,0,0]=4 4486 B12R1.25 O=CCOc1cccc(c1Cl)F 34a_100000087408_200009817547 [0,2,0,0,0,0|2,0,0]=4 4487 B12R1.25 O=CCOc1cccc(c1Cl)F 7a_100000087408_200015260668 [0,2,0,0,0,0|2,0,0]=4 4488 B12R1.25 O=CCOc1cccc(c1Cl)I 34a_100000049636_200009817547 [0,2,0,0,0,0|2,0,0]=4 4489 B12R1.25 O=CCOc1cccc(c1Cl)I 7a_100000049636_200015260668 [0,2,0,0,0,0|2,0,0]=4 4490 B12R1.25 O=CCOc1cccc(c1F)Br 34a_100009817021_200009817547 [0,2,0,0,0,0|2,0,0]=4 4491 B12R1.25 O=CCOc1cccc(c1F)Br 7a_100009817021_200015260668 [0,2,0,0,0,0|2,0,0]=4 4492 B12R1.25 O=CCOc1cccc(c1F)Cl 34a_100000687438_200009817547 [0,2,0,0,0,0|2,0,0]=4 4493 B12R1.25 O=CCOc1cccc(c1F)Cl 7a_100000687438_200015260668 [0,2,0,0,0,0|2,0,0]=4 4494 B12R1.25 O=CCOc1cccc(c1F)F 34a_100000751161_200009817547 [0,2,0,0,0,0|2,0,0]=4 4495 B12R1.25 O=CCOc1cccc(c1F)F 7a_100000751161_200015260668 [0,2,0,0,0,0|2,0,0]=4 4496 B12R1.25 O=CCOc1cccc(c1I)Br 34a_100010187912_200009817547 [0,2,0,0,0,0|2,0,0]=4 4497 B12R1.25 O=CCOc1cccc(c1I)Br 7a_100010187912_200015260668 [0,2,0,0,0,0|2,0,0]=4 4498 B12R1.25 O=CCOc1cccc(c1I)Cl 34a_100000050174_200009817547 [0,2,0,0,0,0|2,0,0]=4 4499 B12R1.25 O=CCOc1cccc(c1I)Cl 7a_100000050174_200015260668 [0,2,0,0,0,0|2,0,0]=4 4500 B12R1.25 O=CCOc1cccc(c1I)F 34a_100000690913_200009817547 [0,2,0,0,0,0|2,0,0]=4 4501 B12R1.25 O=CCOc1cccc(c1I)F 7a_100000690913_200015260668 [0,2,0,0,0,0|2,0,0]=4 4502 B12R1.25 O=CCSc1cccc(c1Br)Br 62a_100010175083_200015260668 [0,2,0,0,0,0|2,0,0]=4 4503 B12R1.25 O=CCSc1cccc(c1Br)Br 62a_200015260668_100010175083 [0,2,0,0,0,0|2,0,0]=4 4504 B12R1.25 O=CCSc1cccc(c1Br)Cl 62a_100014021842_200015260668 [0,2,0,0,0,0|2,0,0]=4 4505 B12R1.25 O=CCSc1cccc(c1Br)Cl 62a_200015260668_100014021842 [0,2,0,0,0,0|2,0,0]=4 4506 B12R1.25 O=CCSc1cccc(c1Br)F 62a_100010202630_200015260668 [0,2,0,0,0,0|2,0,0]=4 4507 B12R1.25 O=CCSc1cccc(c1Br)F 62a_200015260668_100010202630 [0,2,0,0,0,0|2,0,0]=4 4508 B12R1.25 O=CCSc1cccc(c1Br)O 62a_100010187914_200015260668 [0,2,0,0,0,0|2,0,0]=4 4509 B12R1.25 O=CCSc1cccc(c1Br)O 62a_200015260668_100010187914 [0,2,0,0,0,0|2,0,0]=4 4510 B12R1.25 O=CCSc1cccc(c1Cl)Br 62a_100010142854_200015260668 [0,2,0,0,0,0|2,0,0]=4 4511 B12R1.25 O=CCSc1cccc(c1Cl)Br 62a_200015260668_100010142854 [0,2,0,0,0,0|2,0,0]=4 4512 B12R1.25 O=CCSc1cccc(c1Cl)Cl 62a_100011215384_200015260668 [0,2,0,0,0,0|2,0,0]=4 4513 B12R1.25 O=CCSc1cccc(c1Cl)Cl 62a_200015260668_100011215384 [0,2,0,0,0,0|2,0,0]=4 4514 B12R1.25 O=CCSc1cccc(c1Cl)F 62a_200010234923_200015260668 [0,2,0,0,0,0|2,0,0]=4 4515 B12R1.25 O=CCSc1cccc(c1Cl)F 62a_200015260668_200010234923 [0,2,0,0,0,0|2,0,0]=4 4516 B12R1.25 O=CCSc1cccc(c1Cl)O 62a_200015260668_100000049636 [0,2,0,0,0,0|2,0,0]=4 4517 B12R1.25 O=CCSc1cccc(c1F)Br 62a_100000702267_200015260668 [0,2,0,0,0,0|2,0,0]=4 4518 B12R1.25 O=CCSc1cccc(c1F)Br 62a_200015260668_100000702267 [0,2,0,0,0,0|2,0,0]=4 4519 B12R1.25 O=CCSc1cccc(c1F)Cl 62a_100011217346_200015260668 [0,2,0,0,0,0|2,0,0]=4 4520 B12R1.25 O=CCSc1cccc(c1F)Cl 62a_200015260668_100011217346 [0,2,0,0,0,0|2,0,0]=4 4521 B12R1.25 O=CCSc1cccc(c1F)F 62a_100000694657_200015260668 [0,2,0,0,0,0|2,0,0]=4 4522 B12R1.25 O=CCSc1cccc(c1F)F 62a_200015260668_100000694657 [0,2,0,0,0,0|2,0,0]=4 4523 B12R1.25 O=CCSc1cccc(c1F)O 62a_100009817021_200015260668 [0,2,0,0,0,0|2,0,0]=4 4524 B12R1.25 O=CCSc1cccc(c1F)O 62a_200015260668_100009817021 [0,2,0,0,0,0|2,0,0]=4 4525 B12R1.25 O=CCSc1cccc(c1O)Br 62a_100010084509_200015260668 [0,2,0,0,0,0|2,0,0]=4 4526 B12R1.25 O=CCSc1cccc(c1O)Br 62a_200015260668_100010084509 [0,2,0,0,0,0|2,0,0]=4 4527 B12R1.25 O=CCSc1cccc(c1O)Cl 62a_100010202889_200015260668 [0,2,0,0,0,0|2,0,0]=4 4528 B12R1.25 O=CCSc1cccc(c1O)Cl 62a_200015260668_100010202889 [0,2,0,0,0,0|2,0,0]=4 4529 B12R1.25 O=CCSc1cccc(c1O)F 62a_100009813666_200015260668 [0,2,0,0,0,0|2,0,0]=4 4530 B12R1.25 O=CCSc1cccc(c1O)F 62a_200015260668_100009813666 [0,2,0,0,0,0|2,0,0]=4 4531 B12R1.25 O=CCSc1cccc(c1O)O 62a_200015260668_100009815950 [0,2,0,0,0,0|2,0,0]=4 4532 B12R1.25 Oc1cccc(c1F)CNCF 34a_100025773512_100015361967 [0,2,0,0,0,0|1,0,1]=4 4533 B12R1.121 C#Cc1ccccc1CNCC 34a_100020634229_100000210202 [0,2,0,0,0,0|1,0,1]=4 4534 B12R1.121 C#Cc1ccccc1CNCF 34a_100020634229_100015361967 [0,2,0,0,0,0|1,0,1]=4 4535 B12R1.121 C#Cc1ccccc1NCC=O 34a_100011470550_200009817547 [0,2,0,0,0,0|2,0,0]=4 4536 B12R1.121 C#Cc1ccccc1OCC=O 34a_200011470546_200009817547 [0,2,0,0,0,0|2,0,0]=4 4537 B12R1.121 C#Cc1ccccc1OCC=O 7a_200011470546_200015260668 [0,2,0,0,0,0|2,0,0]=4 4538 B12R1.121 C=Cc1ccccc1CCC=O 271570a_100011290941_100011713448 [0,2,0,0,0,0|1,0,0]=3 4539 B12R1.121 C=Cc1ccccc1NCC=O 34a_100012022501_200009817547 [0,2,0,0,0,0|2,0,0]=4 4540 B12R1.121 C=Cc1ccccc1SCC=O 62a_100011218376_200015260668 [0,2,0,0,0,0|2,0,0]=4 4541 B12R1.121 C=Cc1ccccc1SCC=O 62a_200015260668_100011218376 [0,2,0,0,0,0|2,0,0]=4 4542 B12R1.121 CCNCc1ccccc1C#N 2230a_100015525214_100000181865 [0,2,0,0,0,0|1,0,1]=4 4543 B12R1.121 CCNCc1ccccc1C#N 34a_100016989011_100000210202 [0,2,0,0,0,0|1,0,1]=4 4544 B12R1.121 CCNCc1ccccc1C=O 2230a_100015525214_200009853537 [0,2,0,0,0,0|1,0,1]=4 4545 B12R1.121 CCNCc1ccccc1CC 207a_100015525214_100011219594 [0,2,0,0,0,0|1,0,1]=4 4546 B12R1.121 CCNCc1ccccc1CC 270004a_100015525214_100011219594 [0,2,0,0,0,0|1,0,1]=4 4547 B12R1.121 CCNCc1ccccc1CO 2230a_100015525214_100009816955 [0,2,0,0,0,0|1,0,1]=4 4548 B12R1.121 CCNCc1ccccc1OC 207a_100015525214_100000169842 [0,2,0,0,0,0|1,0,1]=4 4549 B12R1.121 CCNCc1ccccc1OC 2230a_100015525214_100000210004 [0,2,0,0,0,0|1,0,1]=4 4550 B12R1.121 CCNCc1ccccc1OC 270004a_100015525214_100000169842 [0,2,0,0,0,0|1,0,1]=4 4551 B12R1.121 CCNCc1ccccc1OC 34a_100000188900_100000210202 [0,2,0,0,0,0|1,0,1]=4 4552 B12R1.121 CCNCc1ccccc1SC 207a_100015525214_100011217347 [0,2,0,0,0,0|1,0,1]=4 4553 B12R1.121 CCNCc1ccccc1SC 2230a_100015525214_100000699184 [0,2,0,0,0,0|1,0,1]=4 4554 B12R1.121 CCNCc1ccccc1SC 270004a_100015525214_100011217347 [0,2,0,0,0,0|1,0,1]=4 4555 B12R1.121 CCNCc1ccccc1SC 34a_102495365025_100000210202 [0,2,0,0,0,0|1,0,1]=4 4556 B12R1.121 CCc1ccccc1NCC=O 2230a_100000212081_200015260668 [0,2,0,0,0,0|2,0,0]=4 4557 B12R1.121 CCc1ccccc1NCC=O 34a_100000212081_200009817547 [0,2,0,0,0,0|2,0,0]=4 4558 B12R1.121 CCc1ccccc1NCC=O 7a_100000212081_200015260668 [0,2,0,0,0,0|2,0,0]=4 4559 B12R1.121 CCc1ccccc1OCC=O 34a_100000210936_200009817547 [0,2,0,0,0,0|2,0,0]=4 4560 B12R1.121 CCc1ccccc1OCC=O 7a_100000210936_200015260668 [0,2,0,0,0,0|2,0,0]=4 4561 B12R1.121 CCc1ccccc1SCC=O 62a_100011215823_200015260668 [0,2,0,0,0,0|2,0,0]=4 4562 B12R1.121 CCc1ccccc1SCC=O 62a_200015260668_100011215823 [0,2,0,0,0,0|2,0,0]=4 4563 B12R1.121 CNc1ccccc1OCC=O 34a_100000033821_200009817547 [0,2,0,0,0,0|2,0,0]=4 4564 B12R1.121 CNc1ccccc1SCC=O 62a_100020606079_200015260668 [0,2,0,0,0,0|2,0,0]=4 4565 B12R1.121 CNc1ccccc1SCC=O 62a_200015260668_100020606079 [0,2,0,0,0,0|2,0,0]=4 4566 B12R1.121 COc1ccccc1CNCF 34a_100000188900_100015361967 [0,2,0,0,0,0|1,0,1]=4 4567 B12R1.121 COc1ccccc1NCC=O 34a_100000210025_200009817547 [0,2,0,0,0,0|2,0,0]=4 4568 B12R1.121 COc1ccccc1OCC=O 34a_100000210385_200009817547 [0,2,0,0,0,0|2,0,0]=4 4569 B12R1.121 COc1ccccc1SCC=O 62a_100000210334_200015260668 [0,2,0,0,0,0|2,0,0]=4 4570 B12R1.121 COc1ccccc1SCC=O 62a_200015260668_100000210334 [0,2,0,0,0,0|2,0,0]=4 4571 B12R1.121 CSc1ccccc1/C=C/C=O 62a_200000210301_200016268969 [0,2,0,0,0,0|1,0,1]=4 4572 B12R1.121 CSc1ccccc1/C=C/C=O 62a_200016268969_200000210301 [0,2,0,0,0,0|1,0,1]=4 4573 B12R1.121 CSc1ccccc1CCC=O 62a_100011713448_200000210301 [0,2,0,0,0,0|1,0,0]=3 4574 B12R1.121 CSc1ccccc1CCC=O 62a_200000210301_100011713448 [0,2,0,0,0,0|1,0,0]=3 4575 B12R1.121 CSc1ccccc1CNCF 34a_102495365025_100015361967 [0,2,0,0,0,0|1,0,1]=4 4576 B12R1.121 CSc1ccccc1NCC=O 34a_100000211160_200009817547 [0,2,0,0,0,0|2,0,0]=4 4577 B12R1.121 CSc1ccccc1OCC=O 34a_100011216402_200009817547 [0,2,0,0,0,0|2,0,0]=4 4578 B12R1.121 CSc1ccccc1SCC=O 62a_100011217816_200015260668 [0,2,0,0,0,0|2,0,0]=4 4579 B12R1.121 CSc1ccccc1SCC=O 62a_200015260668_100011217816 [0,2,0,0,0,0|2,0,0]=4 4580 B12R1.121 N#Cc1ccccc1CNCF 34a_100016989011_100015361967 [0,2,0,0,0,0|1,0,1]=4 4581 B12R1.121 N#Cc1ccccc1NCC=O 34a_100000211148_200009817547 [0,2,0,0,0,0|2,0,0]=4 4582 B12R1.121 N#Cc1ccccc1OCC=O 34a_100000211048_200009817547 [0,2,0,0,0,0|2,0,0]=4 4583 B12R1.121 N#Cc1ccccc1OCC=O 7a_100000211048_200015260668 [0,2,0,0,0,0|2,0,0]=4 4584 B12R1.121 N#Cc1ccccc1SCC=O 62a_200015260668_100000188569 [0,2,0,0,0,0|2,0,0]=4 4585 B12R1.121 NCc1ccccc1OCC=O 34a_100000185550_200009817547 [0,2,0,0,0,0|2,0,0]=4 4586 B12R1.121 NCc1ccccc1SCC=O 62a_100000689332_200015260668 [0,2,0,0,0,0|2,0,0]=4 4587 B12R1.121 NCc1ccccc1SCC=O 62a_200015260668_100000689332 [0,2,0,0,0,0|2,0,0]=4 4588 B12R1.121 NNc1ccccc1SCC=O 62a_100000241748_200015260668 [0,2,0,0,0,0|2,0,0]=4 4589 B12R1.121 NNc1ccccc1SCC=O 62a_200015260668_100000241748 [0,2,0,0,0,0|2,0,0]=4 4590 B12R1.121 O=CCNc1ccccc1CO 34a_100000212039_200009817547 [0,2,0,0,0,0|2,0,0]=4 4591 B12R1.121 O=CCOc1ccccc1CO 34a_100011216872_200009817547 [0,2,0,0,0,0|2,0,0]=4 4592 B12R1.121 O=CCSc1ccccc1C=O 62a_100000210073_200015260668 [0,2,0,0,0,0|2,0,0]=4 4593 B12R1.121 O=CCSc1ccccc1C=O 62a_200015260668_100000210073 [0,2,0,0,0,0|2,0,0]=4 4594 B12R1.121 O=CCSc1ccccc1CO 62a_100000187465_200015260668 [0,2,0,0,0,0|2,0,0]=4 4595 B12R1.121 O=CCSc1ccccc1CO 62a_200015260668_100000187465 [0,2,0,0,0,0|2,0,0]=4 4596 B12R1.121 [13CH3]Sc1ccccc1/C=C/C=O 62a_200016268969_200025704644 [0,2,0,0,0,0|1,0,1]=4 4597 B12R1.121 [13CH3]Sc1ccccc1/C=C/C=O 62a_200025704644_200016268969 [0,2,0,0,0,0|1,0,1]=4 4598 B12R1.121 [13CH3]Sc1ccccc1CCC=O 62a_100011713448_200025704644 [0,2,0,0,0,0|1,0,0]=3 4599 B12R1.121 [13CH3]Sc1ccccc1CCC=O 62a_200025704644_100011713448 [0,2,0,0,0,0|1,0,0]=3 4600 B12R1.125 CC(=O)C#Cc1ccccc1F 1458a_100011892747_200000210301 [0,2,0,0,0,0|1,0,1]=4 4601 B12R1.125 CC(=O)C=Cc1ccccc1Br 1458a_100000719032_200000210301 [0,2,0,0,0,0|1,0,1]=4 4602 B12R1.125 CC(=O)C=Cc1ccccc1Cl 1458a_100000720304_200000210301 [0,2,0,0,0,0|1,0,1]=4 4603 B12R1.125 CC(=O)C=Cc1ccccc1F 1458a_100016256065_200000210301 [0,2,0,0,0,0|1,0,1]=4 4604 B12R1.125 CC(=O)C=Cc1ccccc1O 1458a_100016263591_200000210301 [0,2,0,0,0,0|1,0,1]=4 4605 B12R1.125 CC(=O)CCc1ccccc1Br 1458a_100000070787_100012161201 [0,2,0,0,0,0|1,0,0]=3 4606 B12R1.125 CC(=O)CCc1ccccc1Br 1458a_100000740810_200000210301 [0,2,0,0,0,0|1,0,0]=3 4607 B12R1.125 CC(=O)CCc1ccccc1C 1458a_100000070787_100011713688 [0,2,0,0,0,0|1,0,0]=3 4608 B12R1.125 CC(=O)CCc1ccccc1C 1458a_100000748742_200000210301 [0,2,0,0,0,0|1,0,0]=3 4609 B12R1.125 CC(=O)CCc1ccccc1Cl 1458a_100000070787_100011713703 [0,2,0,0,0,0|1,0,0]=3 4610 B12R1.125 CC(=O)CCc1ccccc1Cl 1458a_100000184300_200000210301 [0,2,0,0,0,0|1,0,0]=3 4611 B12R1.125 CC(=O)CCc1ccccc1F 1458a_100000070787_100000720011 [0,2,0,0,0,0|1,0,0]=3 4612 B12R1.125 CC(=O)CCc1ccccc1F 1458a_100000189703_200000210301 [0,2,0,0,0,0|1,0,0]=3 4613 B12R1.125 CC(=O)CCc1ccccc1I 1458a_100000037306_200000210301 [0,2,0,0,0,0|1,0,0]=3 4614 B12R1.125 CC(=O)CCc1ccccc1O 1458a_100000070787_100000722297 [0,2,0,0,0,0|1,0,0]=3 4615 B12R1.125 CC(=O)CCc1ccccc1O 1458a_100000181328_200000210301 [0,2,0,0,0,0|1,0,0]=3 4616 B12R1.125 CC(=O)CCn1ccccc1=O 1458a_100000738505_200000210301 [0,2,0,0,0,0|2,0,0]=4 4617 B12R1.125 CC(=O)COc1ccccc1Br 1458a_100000216496_200000210301 [0,2,0,0,0,0|2,0,0]=4 4618 B12R1.125 CC(=O)COc1ccccc1C 1458a_100000182418_200000210301 [0,2,0,0,0,0|2,0,0]=4 4619 B12R1.125 CC(=O)COc1ccccc1Cl 1458a_100000185159_200000210301 [0,2,0,0,0,0|2,0,0]=4 4620 B12R1.125 CC(=O)COc1ccccc1F 1458a_100000182486_200000210301 [0,2,0,0,0,0|2,0,0]=4 4621 B12R1.125 CC(=O)COc1ccccc1O 1458a_100000183020_200000210301 [0,2,0,0,0,0|2,0,0]=4 4622 B12R1.125 CC(=O)CSc1ccccc1C 1458a_100000183026_200000210301 [0,2,0,0,0,0|2,0,0]=4 4623 B12R1.125 CC(=O)CSc1ccccc1F 1458a_100000179528_200000210301 [0,2,0,0,0,0|2,0,0]=4 4624 B12R1.125 CC(=O)CSc1ccccc1O 1458a_100000695322_200000210301 [0,2,0,0,0,0|2,0,0]=4 4625 B12R1.125 CC(=O)NCc1ccccc1Br 11a_100000689332_100015343762 [0,2,0,0,0,0|0,0,0]=2 4626 B12R1.125 CC(=O)NCc1ccccc1Br 1626a_100000689332_100015343762 [0,2,0,0,0,0|0,0,0]=2 4627 B12R1.125 CC(=O)NCc1ccccc1Br 240690a_100000689332_100015343762 [0,2,0,0,0,0|0,0,0]=2 4628 B12R1.125 CC(=O)NCc1ccccc1Br 527a_100000689332_100103153847 [0,2,0,0,0,0|0,0,0]=2 4629 B12R1.125 CC(=O)NCc1ccccc1C 11a_100000174972_100015343762 [0,2,0,0,0,0|0,0,0]=2 4630 B12R1.125 CC(=O)NCc1ccccc1C 1626a_100000174972_100015343762 [0,2,0,0,0,0|0,0,0]=2 4631 B12R1.125 CC(=O)NCc1ccccc1C 240690a_100000174972_100015343762 [0,2,0,0,0,0|0,0,0]=2 4632 B12R1.125 CC(=O)NCc1ccccc1C 527a_100000174972_100103153847 [0,2,0,0,0,0|0,0,0]=2 4633 B12R1.125 CC(=O)NCc1ccccc1Cl 11a_100000174879_100015343762 [0,2,0,0,0,0|0,0,0]=2 4634 B12R1.125 CC(=O)NCc1ccccc1Cl 1626a_100000174879_100015343762 [0,2,0,0,0,0|0,0,0]=2 4635 B12R1.125 CC(=O)NCc1ccccc1Cl 240690a_100000174879_100015343762 [0,2,0,0,0,0|0,0,0]=2 4636 B12R1.125 CC(=O)NCc1ccccc1Cl 527a_100000174879_100103153847 [0,2,0,0,0,0|0,0,0]=2 4637 B12R1.125 CC(=O)NCc1ccccc1F 11a_100000174869_100015343762 [0,2,0,0,0,0|0,0,0]=2 4638 B12R1.125 CC(=O)NCc1ccccc1F 1626a_100000174869_100015343762 [0,2,0,0,0,0|0,0,0]=2 4639 B12R1.125 CC(=O)NCc1ccccc1F 240690a_100000174869_100015343762 [0,2,0,0,0,0|0,0,0]=2 4640 B12R1.125 CC(=O)NCc1ccccc1F 527a_100000174869_100103153847 [0,2,0,0,0,0|0,0,0]=2 4641 B12R1.125 CC(=O)NCc1ccccc1I 11a_100015347259_100015343762 [0,2,0,0,0,0|0,0,0]=2 4642 B12R1.125 CC(=O)NCc1ccccc1I 1626a_100015347259_100015343762 [0,2,0,0,0,0|0,0,0]=2 4643 B12R1.125 CC(=O)NCc1ccccc1I 240690a_100015347259_100015343762 [0,2,0,0,0,0|0,0,0]=2 4644 B12R1.125 CC(=O)NCc1ccccc1I 527a_100015347259_100103153847 [0,2,0,0,0,0|0,0,0]=2 4645 B12R1.125 CC(=O)NCc1ccccc1O 240690a_100000185550_100015343762 [0,2,0,0,0,0|0,0,0]=2 4646 B12R1.125 CC(=O)NCc1ccccc1O 271570a_203496583355_100011237613 [0,2,0,0,0,0|0,0,0]=2 4647 B12R1.125 CC(=O)NCc1ccccc1O 527a_100000185550_100103153847 [0,2,0,0,0,0|0,0,0]=2 4648 B12R1.125 CC(=O)NCc1cccnc1Br 11a_100009818023_100015343762 [0,2,0,0,0,0|1,0,0]=3 4649 B12R1.125 CC(=O)NCc1cccnc1Br 240690a_100009818023_100015343762 [0,2,0,0,0,0|1,0,0]=3 4650 B12R1.125 CC(=O)NCc1cccnc1Br 527a_100009818023_100103153847 [0,2,0,0,0,0|1,0,0]=3 4651 B12R1.125 CC(=O)NCc1cccnc1Cl 11a_100015189234_100015343762 [0,2,0,0,0,0|1,0,0]=3 4652 B12R1.125 CC(=O)NCc1cccnc1Cl 1626a_100015189234_100015343762 [0,2,0,0,0,0|1,0,0]=3 4653 B12R1.125 CC(=O)NCc1cccnc1Cl 240690a_100015189234_100015343762 [0,2,0,0,0,0|1,0,0]=3 4654 B12R1.125 CC(=O)NCc1cccnc1Cl 527a_100015189234_100103153847 [0,2,0,0,0,0|1,0,0]=3 4655 B12R1.125 CC(=O)NCc1cccnc1F 11a_100000724633_100015343762 [0,2,0,0,0,0|1,0,0]=3 4656 B12R1.125 CC(=O)NCc1cccnc1F 1626a_100000724633_100015343762 [0,2,0,0,0,0|1,0,0]=3 4657 B12R1.125 CC(=O)NCc1cccnc1F 240690a_100000724633_100015343762 [0,2,0,0,0,0|1,0,0]=3 4658 B12R1.125 CC(=O)NCc1cccnc1F 527a_100000724633_100103153847 [0,2,0,0,0,0|1,0,0]=3 4659 B12R1.125 CC(=O)NCc1ccncc1Br 11a_100020640021_100015343762 [0,2,0,0,0,0|1,0,0]=3 4660 B12R1.125 CC(=O)NCc1ccncc1Br 240690a_100020640021_100015343762 [0,2,0,0,0,0|1,0,0]=3 4661 B12R1.125 CC(=O)NCc1ccncc1Br 527a_100020640021_100103153847 [0,2,0,0,0,0|1,0,0]=3 4662 B12R1.125 CC(=O)NCc1ccncc1C 11a_100000708811_100015343762 [0,2,0,0,0,0|1,0,0]=3 4663 B12R1.125 CC(=O)NCc1ccncc1C 1626a_100000708811_100015343762 [0,2,0,0,0,0|1,0,0]=3 4664 B12R1.125 CC(=O)NCc1ccncc1C 240690a_100000708811_100015343762 [0,2,0,0,0,0|1,0,0]=3 4665 B12R1.125 CC(=O)NCc1ccncc1C 527a_100000708811_100103153847 [0,2,0,0,0,0|1,0,0]=3 4666 B12R1.125 CC(=O)NCc1ccncc1F 11a_100011935246_100015343762 [0,2,0,0,0,0|1,0,0]=3 4667 B12R1.125 CC(=O)NCc1ccncc1F 1626a_100011935246_100015343762 [0,2,0,0,0,0|1,0,0]=3 4668 B12R1.125 CC(=O)NCc1ccncc1F 240690a_100011935246_100015343762 [0,2,0,0,0,0|1,0,0]=3 4669 B12R1.125 CC(=O)NCc1ccncc1F 527a_100011935246_100103153847 [0,2,0,0,0,0|1,0,0]=3 4670 B12R1.125 CC(=O)NCc1cnccc1C 11a_100011997553_100015343762 [0,2,0,0,0,0|1,0,0]=3 4671 B12R1.125 CC(=O)NCc1cnccc1C 240690a_100011997553_100015343762 [0,2,0,0,0,0|1,0,0]=3 4672 B12R1.125 CC(=O)NCc1cnccc1C 527a_100011997553_100103153847 [0,2,0,0,0,0|1,0,0]=3 4673 B12R1.125 CC(=O)NCc1ncccc1Br 11a_100020591323_100015343762 [0,2,0,0,0,0|1,0,0]=3 4674 B12R1.125 CC(=O)NCc1ncccc1Br 240690a_100020591323_100015343762 [0,2,0,0,0,0|1,0,0]=3 4675 B12R1.125 CC(=O)NCc1ncccc1Br 527a_100020591323_100103153847 [0,2,0,0,0,0|1,0,0]=3 4676 B12R1.125 CC(=O)NCc1ncccc1C 11a_100011223789_100015343762 [0,2,0,0,0,0|1,0,0]=3 4677 B12R1.125 CC(=O)NCc1ncccc1C 1626a_100011223789_100015343762 [0,2,0,0,0,0|1,0,0]=3 4678 B12R1.125 CC(=O)NCc1ncccc1C 240690a_100011223789_100015343762 [0,2,0,0,0,0|1,0,0]=3 4679 B12R1.125 CC(=O)NCc1ncccc1C 527a_100011223789_100103153847 [0,2,0,0,0,0|1,0,0]=3 4680 B12R1.125 CC(=O)NCc1ncccc1Cl 11a_100015189233_100015343762 [0,2,0,0,0,0|1,0,0]=3 4681 B12R1.125 CC(=O)NCc1ncccc1Cl 1626a_100015189233_100015343762 [0,2,0,0,0,0|1,0,0]=3 4682 B12R1.125 CC(=O)NCc1ncccc1Cl 240690a_100015189233_100015343762 [0,2,0,0,0,0|1,0,0]=3 4683 B12R1.125 CC(=O)NCc1ncccc1Cl 527a_100015189233_100103153847 [0,2,0,0,0,0|1,0,0]=3 4684 B12R1.125 CC(=O)NCc1ncccc1F 11a_100000690088_100015343762 [0,2,0,0,0,0|1,0,0]=3 4685 B12R1.125 CC(=O)NCc1ncccc1F 1626a_100000690088_100015343762 [0,2,0,0,0,0|1,0,0]=3 4686 B12R1.125 CC(=O)NCc1ncccc1F 240690a_100000690088_100015343762 [0,2,0,0,0,0|1,0,0]=3 4687 B12R1.125 CC(=O)NCc1ncccc1F 527a_100000690088_100103153847 [0,2,0,0,0,0|1,0,0]=3 4688 B12R1.125 CC(=O)NCc1nccnc1C 11a_100020641712_100015343762 [0,2,0,0,0,0|2,0,0]=4 4689 B12R1.125 CC(=O)NCc1nccnc1C 240690a_100020641712_100015343762 [0,2,0,0,0,0|2,0,0]=4 4690 B12R1.125 CC(=O)NCc1nccnc1C 527a_100020641712_100103153847 [0,2,0,0,0,0|2,0,0]=4 4691 B12R1.125 CC(=O)NCc1nccnc1Cl 11a_100000729963_100015343762 [0,2,0,0,0,0|2,0,0]=4 4692 B12R1.125 CC(=O)NCc1nccnc1Cl 240690a_100000729963_100015343762 [0,2,0,0,0,0|2,0,0]=4 4693 B12R1.125 CC(=O)NCc1nccnc1Cl 527a_100000729963_100103153847 [0,2,0,0,0,0|2,0,0]=4 4694 B12R1.125 CC(=O)NNc1ccccc1Br 22a_100000241748_100000070787 [0,2,0,0,0,0|1,0,0]=3 4695 B12R1.125 CC(=O)NNc1ccccc1C 22a_100000184220_100000070787 [0,2,0,0,0,0|1,0,0]=3 4696 B12R1.125 CC(=O)NNc1ccccc1Cl 22a_100000683529_100000070787 [0,2,0,0,0,0|1,0,0]=3 4697 B12R1.125 CC(=O)NNc1ccccc1F 22a_100000239246_100000070787 [0,2,0,0,0,0|1,0,0]=3 4698 B12R1.125 CC(=O)NNc1ccccc1I 22a_100011218156_100000070787 [0,2,0,0,0,0|1,0,0]=3 4699 B12R1.125 CC(=O)NNc1cccnc1C 22a_100000730703_100000070787 [0,2,0,0,0,0|2,0,0]=4 4700 B12R1.125 CC(=O)NNc1ccncc1Br 22a_100013404636_100000070787 [0,2,0,0,0,0|2,0,0]=4 4701 B12R1.125 CC(=O)NNc1ccncc1C 22a_100011935204_100000070787 [0,2,0,0,0,0|2,0,0]=4 4702 B12R1.125 CC(=O)NNc1ncccc1Br 22a_100011464834_100000070787 [0,2,0,0,0,0|2,0,0]=4 4703 B12R1.125 CC(=O)NNc1ncccc1C 22a_100000708268_100000070787 [0,2,0,0,0,0|2,0,0]=4 4704 B12R1.125 CC(=O)NNc1ncccc1Cl 22a_100000741667_100000070787 [0,2,0,0,0,0|2,0,0]=4 4705 B12R1.125 CC(=O)NNc1ncccc1F 22a_100000717775_100000070787 [0,2,0,0,0,0|2,0,0]=4 4706 B12R1.125 CC(=O)NNc1ncccc1I 22a_100010221029_100000070787 [0,2,0,0,0,0|2,0,0]=4 4707 B12R1.125 CC(C)NCc1ccccc1Br 207a_100138425928_100000211189 [0,2,0,0,0,0|1,0,1]=4 4708 B12R1.125 CC(C)NCc1ccccc1Br 2230a_100000689332_100000210206 [0,2,0,0,0,0|1,0,1]=4 4709 B12R1.125 CC(C)NCc1ccccc1Br 2230a_100138425928_100000184730 [0,2,0,0,0,0|1,0,1]=4 4710 B12R1.125 CC(C)NCc1ccccc1Br 34a_100000689332_100000210206 [0,2,0,0,0,0|1,0,1]=4 4711 B12R1.125 CC(C)NCc1ccccc1Br 34a_100138425928_100000184730 [0,2,0,0,0,0|1,0,1]=4 4712 B12R1.125 CC(C)NCc1ccccc1Cl 207a_100138425928_100000210073 [0,2,0,0,0,0|1,0,1]=4 4713 B12R1.125 CC(C)NCc1ccccc1Cl 2230a_100000174879_100000210206 [0,2,0,0,0,0|1,0,1]=4 4714 B12R1.125 CC(C)NCc1ccccc1Cl 2230a_100138425928_100000187162 [0,2,0,0,0,0|1,0,1]=4 4715 B12R1.125 CC(C)NCc1ccccc1Cl 34a_100000174879_100000210206 [0,2,0,0,0,0|1,0,1]=4 4716 B12R1.125 CC(C)NCc1ccccc1Cl 34a_100138425928_100000187162 [0,2,0,0,0,0|1,0,1]=4 4717 B12R1.125 CC(C)NCc1ccccc1F 207a_100138425928_100000210811 [0,2,0,0,0,0|1,0,1]=4 4718 B12R1.125 CC(C)NCc1ccccc1F 2230a_100138425928_100000211605 [0,2,0,0,0,0|1,0,1]=4 4719 B12R1.125 CC(C)NCc1ccccc1F 34a_100000174869_100000210206 [0,2,0,0,0,0|1,0,1]=4 4720 B12R1.125 CC(C)NCc1ccccc1F 34a_100138425928_100000211605 [0,2,0,0,0,0|1,0,1]=4 4721 B12R1.125 CC(C)NCc1ccccc1I 207a_100138425928_100000010305 [0,2,0,0,0,0|1,0,1]=4 4722 B12R1.125 CC(C)NCc1ccccc1I 2230a_100138425928_100011215278 [0,2,0,0,0,0|1,0,1]=4 4723 B12R1.125 CC(C)NCc1ccccc1I 34a_100138425928_100011215278 [0,2,0,0,0,0|1,0,1]=4 4724 B12R1.125 CC(C)NCc1ccccc1O 271570a_203496583355_100000195800 [0,2,0,0,0,0|1,0,1]=4 4725 B12R1.125 CC(C)NCc1ccccc1O 34a_100000185550_100000210206 [0,2,0,0,0,0|1,0,1]=4 4726 B12R1.125 Cc1ccccc1CCC(=O)[13CH3] 1458a_100000748742_200025704644 [0,2,0,0,0,0|1,0,0]=3 4727 B12R1.125 Cc1ccccc1CNC(C)C 207a_100138425928_100000211143 [0,2,0,0,0,0|1,0,1]=4 4728 B12R1.125 Cc1ccccc1CNC(C)C 2230a_100138425928_100000211839 [0,2,0,0,0,0|1,0,1]=4 4729 B12R1.125 Cc1ccccc1CNC(C)C 34a_100000174972_100000210206 [0,2,0,0,0,0|1,0,1]=4 4730 B12R1.125 Cc1ccccc1CNC(C)C 34a_100138425928_100000211839 [0,2,0,0,0,0|1,0,1]=4 4731 B12R1.125 Cc1ccccc1NCC(=O)N 34a_100015192222_100000187820 [0,2,0,0,0,0|2,0,0]=4 4732 B12R1.125 Cc1ccccc1NCC(=O)[O-] 34a_100015192222_100020667443 [0,2,0,0,0,0|2,0,0]=4 4733 B12R1.125 Cc1ccccc1OCC(=O)N 34a_100000210338_100000187820 [0,2,0,0,0,0|2,0,0]=4 4734 B12R1.125 Cc1ccccc1OCC(=O)N 7a_100000210338_100000187820 [0,2,0,0,0,0|2,0,0]=4 4735 B12R1.125 Cc1ccccc1OCC(=O)[13CH3] 1458a_100000182418_200025704644 [0,2,0,0,0,0|2,0,0]=4 4736 B12R1.125 Cc1ccccc1OCC(=O)[O-] 34a_100000210338_100020667443 [0,2,0,0,0,0|2,0,0]=4 4737 B12R1.125 Cc1ccccc1SCC(=O)N 62a_100000210755_100000747473 [0,2,0,0,0,0|2,0,0]=4 4738 B12R1.125 Cc1ccccc1SCC(=O)N 62a_100000747473_100000210755 [0,2,0,0,0,0|2,0,0]=4 4739 B12R1.125 Cc1ccccc1SCC(=O)[13CH3] 1458a_100000183026_200025704644 [0,2,0,0,0,0|2,0,0]=4 4740 B12R1.125 Cc1ccccc1SCC(=O)[O-] 62a_100000210755_100020667443 [0,2,0,0,0,0|2,0,0]=4 4741 B12R1.125 Cc1ccccc1SCC(=O)[O-] 62a_100020667443_100000210755 [0,2,0,0,0,0|2,0,0]=4 4742 B12R1.125 NC(=O)CCc1ccccc1O 271570a_203496583355_100009814947 [0,2,0,0,0,0|1,0,0]=3 4743 B12R1.125 NC(=O)CNc1ccccc1Br 34a_100000210017_100000187820 [0,2,0,0,0,0|2,0,0]=4 4744 B12R1.125 NC(=O)CNc1ccccc1Cl 34a_100000185783_100000187820 [0,2,0,0,0,0|2,0,0]=4 4745 B12R1.125 NC(=O)CNc1ccccc1F 34a_100000210422_100000187820 [0,2,0,0,0,0|2,0,0]=4 4746 B12R1.125 NC(=O)CNc1ccccc1I 34a_100000210053_100000187820 [0,2,0,0,0,0|2,0,0]=4 4747 B12R1.125 NC(=O)CNc1ccccc1O 34a_100000185747_100000187820 [0,2,0,0,0,0|2,0,0]=4 4748 B12R1.125 NC(=O)COc1ccccc1Br 34a_100000181306_100000187820 [0,2,0,0,0,0|2,0,0]=4 4749 B12R1.125 NC(=O)COc1ccccc1Br 7a_100000181306_100000187820 [0,2,0,0,0,0|2,0,0]=4 4750 B12R1.125 NC(=O)COc1ccccc1Cl 34a_100000210172_100000187820 [0,2,0,0,0,0|2,0,0]=4 4751 B12R1.125 NC(=O)COc1ccccc1Cl 7a_100000210172_100000187820 [0,2,0,0,0,0|2,0,0]=4 4752 B12R1.125 NC(=O)COc1ccccc1F 34a_100000210171_100000187820 [0,2,0,0,0,0|2,0,0]=4 4753 B12R1.125 NC(=O)COc1ccccc1F 7a_100000210171_100000187820 [0,2,0,0,0,0|2,0,0]=4 4754 B12R1.125 NC(=O)COc1ccccc1I 34a_100000739446_100000187820 [0,2,0,0,0,0|2,0,0]=4 4755 B12R1.125 NC(=O)COc1ccccc1I 7a_100000739446_100000187820 [0,2,0,0,0,0|2,0,0]=4 4756 B12R1.125 NC(=O)COc1ccccc1N 34a_100000185747_100000187820 [0,2,0,0,0,0|2,0,0]=4 4757 B12R1.125 NC(=O)COc1ccccc1N 7a_100000185747_100000187820 [0,2,0,0,0,0|2,0,0]=4 4758 B12R1.125 NC(=O)COc1ccccc1O 271570a_203496583355_200000148491 [0,2,0,0,0,0|2,0,0]=4 4759 B12R1.125 NC(=O)CSc1ccccc1Br 62a_100000695589_100000747473 [0,2,0,0,0,0|2,0,0]=4 4760 B12R1.125 NC(=O)CSc1ccccc1Br 62a_100000747473_100000695589 [0,2,0,0,0,0|2,0,0]=4 4761 B12R1.125 NC(=O)CSc1ccccc1Cl 62a_100000747473_100000764095 [0,2,0,0,0,0|2,0,0]=4 4762 B12R1.125 NC(=O)CSc1ccccc1Cl 62a_100000764095_100000747473 [0,2,0,0,0,0|2,0,0]=4 4763 B12R1.125 NC(=O)CSc1ccccc1F 62a_100000747473_100011215700 [0,2,0,0,0,0|2,0,0]=4 4764 B12R1.125 NC(=O)CSc1ccccc1F 62a_100011215700_100000747473 [0,2,0,0,0,0|2,0,0]=4 4765 B12R1.125 NC(=O)CSc1ccccc1N 62a_100000210017_100000747473 [0,2,0,0,0,0|2,0,0]=4 4766 B12R1.125 NC(=O)CSc1ccccc1N 62a_100000747473_100000210017 [0,2,0,0,0,0|2,0,0]=4 4767 B12R1.125 NC(=O)CSc1ccccc1O 62a_100000739446_100000747473 [0,2,0,0,0,0|2,0,0]=4 4768 B12R1.125 NC(=O)CSc1ccccc1O 62a_100000747473_100000739446 [0,2,0,0,0,0|2,0,0]=4 4769 B12R1.125 Nc1ccccc1OCC(=O)[O-] 34a_100000185747_100020667443 [0,2,0,0,0,0|2,0,0]=4 4770 B12R1.125 Nc1ccccc1SCC(=O)[O-] 62a_100000210017_100020667443 [0,2,0,0,0,0|2,0,0]=4 4771 B12R1.125 Nc1ccccc1SCC(=O)[O-] 62a_100020667443_100000210017 [0,2,0,0,0,0|2,0,0]=4 4772 B12R1.125 O=C([O-])CNc1ccccc1Br 34a_100000210017_100020667443 [0,2,0,0,0,0|2,0,0]=4 4773 B12R1.125 O=C([O-])CNc1ccccc1Cl 34a_100000185783_100020667443 [0,2,0,0,0,0|2,0,0]=4 4774 B12R1.125 O=C([O-])CNc1ccccc1F 34a_100000210422_100020667443 [0,2,0,0,0,0|2,0,0]=4 4775 B12R1.125 O=C([O-])CNc1ccccc1I 34a_100000210053_100020667443 [0,2,0,0,0,0|2,0,0]=4 4776 B12R1.125 O=C([O-])CNc1ccccc1O 34a_100000185747_100020667443 [0,2,0,0,0,0|2,0,0]=4 4777 B12R1.125 O=C([O-])COc1ccccc1Br 34a_100000181306_100020667443 [0,2,0,0,0,0|2,0,0]=4 4778 B12R1.125 O=C([O-])COc1ccccc1Cl 34a_100000210172_100020667443 [0,2,0,0,0,0|2,0,0]=4 4779 B12R1.125 O=C([O-])COc1ccccc1F 34a_100000210171_100020667443 [0,2,0,0,0,0|2,0,0]=4 4780 B12R1.125 O=C([O-])COc1ccccc1I 34a_100000739446_100020667443 [0,2,0,0,0,0|2,0,0]=4 4781 B12R1.125 O=C([O-])CSc1ccccc1Br 62a_100000695589_100020667443 [0,2,0,0,0,0|2,0,0]=4 4782 B12R1.125 O=C([O-])CSc1ccccc1Br 62a_100020667443_100000695589 [0,2,0,0,0,0|2,0,0]=4 4783 B12R1.125 O=C([O-])CSc1ccccc1Cl 62a_100000764095_100020667443 [0,2,0,0,0,0|2,0,0]=4 4784 B12R1.125 O=C([O-])CSc1ccccc1Cl 62a_100020667443_100000764095 [0,2,0,0,0,0|2,0,0]=4 4785 B12R1.125 O=C([O-])CSc1ccccc1F 62a_100011215700_100020667443 [0,2,0,0,0,0|2,0,0]=4 4786 B12R1.125 O=C([O-])CSc1ccccc1F 62a_100020667443_100011215700 [0,2,0,0,0,0|2,0,0]=4 4787 B12R1.125 O=C([O-])CSc1ccccc1O 62a_100000739446_100020667443 [0,2,0,0,0,0|2,0,0]=4 4788 B12R1.125 O=C([O-])CSc1ccccc1O 62a_100020667443_100000739446 [0,2,0,0,0,0|2,0,0]=4 4789 B12R1.125 [13CH3]C(=O)C#Cc1ccccc1F 1458a_100011892747_200025704644 [0,2,0,0,0,0|1,0,1]=4 4790 B12R1.125 [13CH3]C(=O)C=Cc1ccccc1Br 1458a_100000719032_200025704644 [0,2,0,0,0,0|1,0,1]=4 4791 B12R1.125 [13CH3]C(=O)C=Cc1ccccc1Cl 1458a_100000720304_200025704644 [0,2,0,0,0,0|1,0,1]=4 4792 B12R1.125 [13CH3]C(=O)C=Cc1ccccc1F 1458a_100016256065_200025704644 [0,2,0,0,0,0|1,0,1]=4 4793 B12R1.125 [13CH3]C(=O)C=Cc1ccccc1O 1458a_100016263591_200025704644 [0,2,0,0,0,0|1,0,1]=4 4794 B12R1.125 [13CH3]C(=O)CCc1ccccc1Br 1458a_100000740810_200025704644 [0,2,0,0,0,0|1,0,0]=3 4795 B12R1.125 [13CH3]C(=O)CCc1ccccc1Cl 1458a_100000184300_200025704644 [0,2,0,0,0,0|1,0,0]=3 4796 B12R1.125 [13CH3]C(=O)CCc1ccccc1F 1458a_100000189703_200025704644 [0,2,0,0,0,0|1,0,0]=3 4797 B12R1.125 [13CH3]C(=O)CCc1ccccc1I 1458a_100000037306_200025704644 [0,2,0,0,0,0|1,0,0]=3 4798 B12R1.125 [13CH3]C(=O)CCc1ccccc1O 1458a_100000181328_200025704644 [0,2,0,0,0,0|1,0,0]=3 4799 B12R1.125 [13CH3]C(=O)CCn1ccccc1=O 1458a_100000738505_200025704644 [0,2,0,0,0,0|2,0,0]=4 4800 B12R1.125 [13CH3]C(=O)COc1ccccc1Br 1458a_100000216496_200025704644 [0,2,0,0,0,0|2,0,0]=4 4801 B12R1.125 [13CH3]C(=O)COc1ccccc1Cl 1458a_100000185159_200025704644 [0,2,0,0,0,0|2,0,0]=4 4802 B12R1.125 [13CH3]C(=O)COc1ccccc1F 1458a_100000182486_200025704644 [0,2,0,0,0,0|2,0,0]=4 4803 B12R1.125 [13CH3]C(=O)COc1ccccc1O 1458a_100000183020_200025704644 [0,2,0,0,0,0|2,0,0]=4 4804 B12R1.125 [13CH3]C(=O)CSc1ccccc1F 1458a_100000179528_200025704644 [0,2,0,0,0,0|2,0,0]=4 4805 B12R1.125 [13CH3]C(=O)CSc1ccccc1O 1458a_100000695322_200025704644 [0,2,0,0,0,0|2,0,0]=4 4806 B12R1.267 C#CCNCc1ccccc1Br 2230a_100000689332_100000038162 [0,2,0,0,0,0|1,0,1]=4 4807 B12R1.267 C#CCNCc1ccccc1Br 34a_100000212058_100000184730 [0,2,0,0,0,0|1,0,1]=4 4808 B12R1.267 C#CCNCc1ccccc1Br 34a_100000689332_100000184674 [0,2,0,0,0,0|1,0,1]=4 4809 B12R1.267 C#CCNCc1ccccc1C 34a_100000174972_100000184674 [0,2,0,0,0,0|1,0,1]=4 4810 B12R1.267 C#CCNCc1ccccc1C 34a_100000212058_100000211839 [0,2,0,0,0,0|1,0,1]=4 4811 B12R1.267 C#CCNCc1ccccc1Cl 2230a_100000174879_100000038162 [0,2,0,0,0,0|1,0,1]=4 4812 B12R1.267 C#CCNCc1ccccc1Cl 34a_100000174879_100000184674 [0,2,0,0,0,0|1,0,1]=4 4813 B12R1.267 C#CCNCc1ccccc1Cl 34a_100000212058_100000187162 [0,2,0,0,0,0|1,0,1]=4 4814 B12R1.267 C#CCNCc1ccccc1F 34a_100000174869_100000184674 [0,2,0,0,0,0|1,0,1]=4 4815 B12R1.267 C#CCNCc1ccccc1F 34a_100000212058_100000211605 [0,2,0,0,0,0|1,0,1]=4 4816 B12R1.267 C#CCNCc1ccccc1I 34a_100000212058_100011215278 [0,2,0,0,0,0|1,0,1]=4 4817 B12R1.267 C#CCNCc1ccccc1O 34a_100000185550_100000184674 [0,2,0,0,0,0|1,0,1]=4 4818 B12R1.267 C/C=C/CNc1ccccc1Br 34a_100000210017_100102629194 [0,2,0,0,0,0|2,0,0]=4 4819 B12R1.267 C/C=C/CNc1ccccc1C 34a_100015192222_100102629194 [0,2,0,0,0,0|2,0,0]=4 4820 B12R1.267 C/C=C/CNc1ccccc1Cl 34a_100000185783_100102629194 [0,2,0,0,0,0|2,0,0]=4 4821 B12R1.267 C/C=C/CNc1ccccc1F 34a_100000210422_100102629194 [0,2,0,0,0,0|2,0,0]=4 4822 B12R1.267 C/C=C/CNc1ccccc1I 34a_100000210053_100102629194 [0,2,0,0,0,0|2,0,0]=4 4823 B12R1.267 C/C=C/CNc1ccccc1O 34a_100000185747_100102629194 [0,2,0,0,0,0|2,0,0]=4 4824 B12R1.267 C/C=C/COc1ccccc1Br 34a_100000181306_100102629194 [0,2,0,0,0,0|2,0,0]=4 4825 B12R1.267 C/C=C/COc1ccccc1Br 7a_100000181306_100102629194 [0,2,0,0,0,0|2,0,0]=4 4826 B12R1.267 C/C=C/COc1ccccc1C 34a_100000210338_100102629194 [0,2,0,0,0,0|2,0,0]=4 4827 B12R1.267 C/C=C/COc1ccccc1C 7a_100000210338_100102629194 [0,2,0,0,0,0|2,0,0]=4 4828 B12R1.267 C/C=C/COc1ccccc1Cl 34a_100000210172_100102629194 [0,2,0,0,0,0|2,0,0]=4 4829 B12R1.267 C/C=C/COc1ccccc1Cl 7a_100000210172_100102629194 [0,2,0,0,0,0|2,0,0]=4 4830 B12R1.267 C/C=C/COc1ccccc1F 34a_100000210171_100102629194 [0,2,0,0,0,0|2,0,0]=4 4831 B12R1.267 C/C=C/COc1ccccc1F 7a_100000210171_100102629194 [0,2,0,0,0,0|2,0,0]=4 4832 B12R1.267 C/C=C/COc1ccccc1I 34a_100000739446_100102629194 [0,2,0,0,0,0|2,0,0]=4 4833 B12R1.267 C/C=C/COc1ccccc1I 7a_100000739446_100102629194 [0,2,0,0,0,0|2,0,0]=4 4834 B12R1.267 C/C=C/COc1ccccc1N 34a_100000185747_100102629194 [0,2,0,0,0,0|2,0,0]=4 4835 B12R1.267 C/C=C/COc1ccccc1N 7a_100000185747_100102629194 [0,2,0,0,0,0|2,0,0]=4 4836 B12R1.267 C/C=C/CSc1ccccc1Br 62a_100000695589_100102629194 [0,2,0,0,0,0|2,0,0]=4 4837 B12R1.267 C/C=C/CSc1ccccc1Br 62a_100102629194_100000695589 [0,2,0,0,0,0|2,0,0]=4 4838 B12R1.267 C/C=C/CSc1ccccc1C 62a_100000210755_100102629194 [0,2,0,0,0,0|2,0,0]=4 4839 B12R1.267 C/C=C/CSc1ccccc1C 62a_100102629194_100000210755 [0,2,0,0,0,0|2,0,0]=4 4840 B12R1.267 C/C=C/CSc1ccccc1Cl 62a_100000764095_100102629194 [0,2,0,0,0,0|2,0,0]=4 4841 B12R1.267 C/C=C/CSc1ccccc1Cl 62a_100102629194_100000764095 [0,2,0,0,0,0|2,0,0]=4 4842 B12R1.267 C/C=C/CSc1ccccc1F 62a_100011215700_100102629194 [0,2,0,0,0,0|2,0,0]=4 4843 B12R1.267 C/C=C/CSc1ccccc1F 62a_100102629194_100011215700 [0,2,0,0,0,0|2,0,0]=4 4844 B12R1.267 C/C=C/CSc1ccccc1N 62a_100000210017_100102629194 [0,2,0,0,0,0|2,0,0]=4 4845 B12R1.267 C/C=C/CSc1ccccc1N 62a_100102629194_100000210017 [0,2,0,0,0,0|2,0,0]=4 4846 B12R1.267 C/C=C/CSc1ccccc1O 62a_100000739446_100102629194 [0,2,0,0,0,0|2,0,0]=4 4847 B12R1.267 C/C=C/CSc1ccccc1O 62a_100102629194_100000739446 [0,2,0,0,0,0|2,0,0]=4 4848 B12R1.267 C=CCCNc1ccccc1Br 34a_100000210017_100000754431 [0,2,0,0,0,0|2,0,0]=4 4849 B12R1.267 C=CCCNc1ccccc1C 34a_100015192222_100000754431 [0,2,0,0,0,0|2,0,0]=4 4850 B12R1.267 C=CCCNc1ccccc1Cl 34a_100000185783_100000754431 [0,2,0,0,0,0|2,0,0]=4 4851 B12R1.267 C=CCCNc1ccccc1F 34a_100000210422_100000754431 [0,2,0,0,0,0|2,0,0]=4 4852 B12R1.267 C=CCCNc1ccccc1I 34a_100000210053_100000754431 [0,2,0,0,0,0|2,0,0]=4 4853 B12R1.267 C=CCCNc1ccccc1O 34a_100000185747_100000754431 [0,2,0,0,0,0|2,0,0]=4 4854 B12R1.267 C=CCCOc1ccccc1Br 34a_100000181306_100000754431 [0,2,0,0,0,0|2,0,0]=4 4855 B12R1.267 C=CCCOc1ccccc1Br 7a_100000181306_100000754431 [0,2,0,0,0,0|2,0,0]=4 4856 B12R1.267 C=CCCOc1ccccc1C 34a_100000210338_100000754431 [0,2,0,0,0,0|2,0,0]=4 4857 B12R1.267 C=CCCOc1ccccc1C 7a_100000210338_100000754431 [0,2,0,0,0,0|2,0,0]=4 4858 B12R1.267 C=CCCOc1ccccc1Cl 34a_100000210172_100000754431 [0,2,0,0,0,0|2,0,0]=4 4859 B12R1.267 C=CCCOc1ccccc1Cl 7a_100000210172_100000754431 [0,2,0,0,0,0|2,0,0]=4 4860 B12R1.267 C=CCCOc1ccccc1F 34a_100000210171_100000754431 [0,2,0,0,0,0|2,0,0]=4 4861 B12R1.267 C=CCCOc1ccccc1F 7a_100000210171_100000754431 [0,2,0,0,0,0|2,0,0]=4 4862 B12R1.267 C=CCCOc1ccccc1I 34a_100000739446_100000754431 [0,2,0,0,0,0|2,0,0]=4 4863 B12R1.267 C=CCCOc1ccccc1I 7a_100000739446_100000754431 [0,2,0,0,0,0|2,0,0]=4 4864 B12R1.267 C=CCCOc1ccccc1N 34a_100000185747_100000754431 [0,2,0,0,0,0|2,0,0]=4 4865 B12R1.267 C=CCCOc1ccccc1N 7a_100000185747_100000754431 [0,2,0,0,0,0|2,0,0]=4 4866 B12R1.267 C=CCCSc1ccccc1Br 62a_100000695589_100000754431 [0,2,0,0,0,0|2,0,0]=4 4867 B12R1.267 C=CCCSc1ccccc1Br 62a_100000754431_100000695589 [0,2,0,0,0,0|2,0,0]=4 4868 B12R1.267 C=CCCSc1ccccc1C 62a_100000210755_100000754431 [0,2,0,0,0,0|2,0,0]=4 4869 B12R1.267 C=CCCSc1ccccc1C 62a_100000754431_100000210755 [0,2,0,0,0,0|2,0,0]=4 4870 B12R1.267 C=CCCSc1ccccc1Cl 62a_100000754431_100000764095 [0,2,0,0,0,0|2,0,0]=4 4871 B12R1.267 C=CCCSc1ccccc1Cl 62a_100000764095_100000754431 [0,2,0,0,0,0|2,0,0]=4 4872 B12R1.267 C=CCCSc1ccccc1F 62a_100000754431_100011215700 [0,2,0,0,0,0|2,0,0]=4 4873 B12R1.267 C=CCCSc1ccccc1F 62a_100011215700_100000754431 [0,2,0,0,0,0|2,0,0]=4 4874 B12R1.267 C=CCCSc1ccccc1N 62a_100000210017_100000754431 [0,2,0,0,0,0|2,0,0]=4 4875 B12R1.267 C=CCCSc1ccccc1N 62a_100000754431_100000210017 [0,2,0,0,0,0|2,0,0]=4 4876 B12R1.267 C=CCCSc1ccccc1O 62a_100000739446_100000754431 [0,2,0,0,0,0|2,0,0]=4 4877 B12R1.267 C=CCCSc1ccccc1O 62a_100000754431_100000739446 [0,2,0,0,0,0|2,0,0]=4 4878 B12R1.267 C=CCNCc1ccccc1Br 2230a_100000689332_100000210623 [0,2,0,0,0,0|1,0,0]=3 4879 B12R1.267 C=CCNCc1ccccc1Br 2230a_100020586998_100000184730 [0,2,0,0,0,0|1,0,0]=3 4880 B12R1.267 C=CCNCc1ccccc1Br 270004a_100020586998_100000211189 [0,2,0,0,0,0|1,0,0]=3 4881 B12R1.267 C=CCNCc1ccccc1Br 34a_100000689332_100015514636 [0,2,0,0,0,0|1,0,0]=3 4882 B12R1.267 C=CCNCc1ccccc1C 2230a_100020586998_100000211839 [0,2,0,0,0,0|1,0,0]=3 4883 B12R1.267 C=CCNCc1ccccc1C 270004a_100020586998_100000211143 [0,2,0,0,0,0|1,0,0]=3 4884 B12R1.267 C=CCNCc1ccccc1C 34a_100000174972_100015514636 [0,2,0,0,0,0|1,0,0]=3 4885 B12R1.267 C=CCNCc1ccccc1Cl 2230a_100000174879_100000210623 [0,2,0,0,0,0|1,0,0]=3 4886 B12R1.267 C=CCNCc1ccccc1Cl 2230a_100020586998_100000187162 [0,2,0,0,0,0|1,0,0]=3 4887 B12R1.267 C=CCNCc1ccccc1Cl 270004a_100020586998_100000210073 [0,2,0,0,0,0|1,0,0]=3 4888 B12R1.267 C=CCNCc1ccccc1Cl 34a_100000174879_100015514636 [0,2,0,0,0,0|1,0,0]=3 4889 B12R1.267 C=CCNCc1ccccc1F 2230a_100020586998_100000211605 [0,2,0,0,0,0|1,0,0]=3 4890 B12R1.267 C=CCNCc1ccccc1F 270004a_100020586998_100000210811 [0,2,0,0,0,0|1,0,0]=3 4891 B12R1.267 C=CCNCc1ccccc1F 34a_100000174869_100015514636 [0,2,0,0,0,0|1,0,0]=3 4892 B12R1.267 C=CCNCc1ccccc1I 2230a_100020586998_100011215278 [0,2,0,0,0,0|1,0,0]=3 4893 B12R1.267 C=CCNCc1ccccc1I 270004a_100020586998_100000010305 [0,2,0,0,0,0|1,0,0]=3 4894 B12R1.267 C=CCNCc1ccccc1O 34a_100000185550_100015514636 [0,2,0,0,0,0|1,0,0]=3 4895 B12R1.267 C=CCNCc1cccnc1Br 2230a_100009818023_100000210623 [0,2,0,0,0,0|2,0,0]=4 4896 B12R1.267 C=CCNCc1cccnc1Br 2230a_100020586998_100010140945 [0,2,0,0,0,0|2,0,0]=4 4897 B12R1.267 C=CCNCc1cccnc1Br 34a_100009818023_100015514636 [0,2,0,0,0,0|2,0,0]=4 4898 B12R1.267 C=CCNCc1cccnc1C 2230a_100020586998_100000732876 [0,2,0,0,0,0|2,0,0]=4 4899 B12R1.267 C=CCNCc1cccnc1C 270004a_100020586998_100000751968 [0,2,0,0,0,0|2,0,0]=4 4900 B12R1.267 C=CCNCc1cccnc1Cl 2230a_100015189234_100000210623 [0,2,0,0,0,0|2,0,0]=4 4901 B12R1.267 C=CCNCc1cccnc1Cl 2230a_100020586998_100000045678 [0,2,0,0,0,0|2,0,0]=4 4902 B12R1.267 C=CCNCc1cccnc1Cl 34a_100015189234_100015514636 [0,2,0,0,0,0|2,0,0]=4 4903 B12R1.267 C=CCNCc1cccnc1F 2230a_100020586998_100000099810 [0,2,0,0,0,0|2,0,0]=4 4904 B12R1.267 C=CCNCc1cccnc1F 34a_100000724633_100015514636 [0,2,0,0,0,0|2,0,0]=4 4905 B12R1.267 C=CCNCc1cccnc1O 270004a_100020586998_100011998315 [0,2,0,0,0,0|2,0,0]=4 4906 B12R1.267 C=CCNCc1ccncc1Br 270004a_100020586998_100000755692 [0,2,0,0,0,0|2,0,0]=4 4907 B12R1.267 C=CCNCc1ccncc1C 2230a_100020586998_100020672808 [0,2,0,0,0,0|2,0,0]=4 4908 B12R1.267 C=CCNCc1ccncc1Cl 2230a_100020586998_100000763264 [0,2,0,0,0,0|2,0,0]=4 4909 B12R1.267 C=CCNCc1ccncc1Cl 270004a_100020586998_100011934409 [0,2,0,0,0,0|2,0,0]=4 4910 B12R1.267 C=CCNCc1ccncc1F 34a_100011935246_100015514636 [0,2,0,0,0,0|2,0,0]=4 4911 B12R1.267 C=CCNCc1cnccc1Br 270004a_100020586998_100009816821 [0,2,0,0,0,0|2,0,0]=4 4912 B12R1.267 C=CCNCc1cnccc1C 2230a_100020586998_100000690890 [0,2,0,0,0,0|2,0,0]=4 4913 B12R1.267 C=CCNCc1cnccc1C 270004a_100020586998_100000685662 [0,2,0,0,0,0|2,0,0]=4 4914 B12R1.267 C=CCNCc1cnccc1Cl 270004a_100020586998_100000050567 [0,2,0,0,0,0|2,0,0]=4 4915 B12R1.267 C=CCNCc1ncccc1Br 2230a_100020586998_100025702911 [0,2,0,0,0,0|2,0,0]=4 4916 B12R1.267 C=CCNCc1ncccc1Br 270004a_100020586998_100011934733 [0,2,0,0,0,0|2,0,0]=4 4917 B12R1.267 C=CCNCc1ncccc1C 2230a_100020586998_100000696600 [0,2,0,0,0,0|2,0,0]=4 4918 B12R1.267 C=CCNCc1ncccc1C 270004a_100020586998_100000698913 [0,2,0,0,0,0|2,0,0]=4 4919 B12R1.267 C=CCNCc1ncccc1C 34a_100011223789_100015514636 [0,2,0,0,0,0|2,0,0]=4 4920 B12R1.267 C=CCNCc1ncccc1Cl 2230a_100015189233_100000210623 [0,2,0,0,0,0|2,0,0]=4 4921 B12R1.267 C=CCNCc1ncccc1Cl 2230a_100020586998_100000099807 [0,2,0,0,0,0|2,0,0]=4 4922 B12R1.267 C=CCNCc1ncccc1Cl 270004a_100020586998_100012001307 [0,2,0,0,0,0|2,0,0]=4 4923 B12R1.267 C=CCNCc1ncccc1F 2230a_100020586998_100000104219 [0,2,0,0,0,0|2,0,0]=4 4924 B12R1.267 C=CCNCc1ncccc1F 270004a_100020586998_100011934734 [0,2,0,0,0,0|2,0,0]=4 4925 B12R1.267 C=CCNCc1ncccc1F 34a_100000690088_100015514636 [0,2,0,0,0,0|2,0,0]=4 4926 B12R1.267 C=CCOCc1ccccc1Br 34a_100000756307_100015514636 [0,2,0,0,0,0|2,0,0]=4 4927 B12R1.267 C=CCOCc1ccccc1Br 34a_200000210373_100000184730 [0,2,0,0,0,0|2,0,0]=4 4928 B12R1.267 C=CCOCc1ccccc1Br 7a_100000756307_100015514636 [0,2,0,0,0,0|2,0,0]=4 4929 B12R1.267 C=CCOCc1ccccc1C 34a_100000698903_100015514636 [0,2,0,0,0,0|2,0,0]=4 4930 B12R1.267 C=CCOCc1ccccc1C 34a_200000210373_100000211839 [0,2,0,0,0,0|2,0,0]=4 4931 B12R1.267 C=CCOCc1ccccc1C 7a_100000698903_100015514636 [0,2,0,0,0,0|2,0,0]=4 4932 B12R1.267 C=CCOCc1ccccc1Cl 34a_100000210847_100015514636 [0,2,0,0,0,0|2,0,0]=4 4933 B12R1.267 C=CCOCc1ccccc1Cl 34a_200000210373_100000187162 [0,2,0,0,0,0|2,0,0]=4 4934 B12R1.267 C=CCOCc1ccccc1Cl 7a_100000210847_100015514636 [0,2,0,0,0,0|2,0,0]=4 4935 B12R1.267 C=CCOCc1ccccc1F 34a_100000211962_100015514636 [0,2,0,0,0,0|2,0,0]=4 4936 B12R1.267 C=CCOCc1ccccc1F 34a_200000210373_100000211605 [0,2,0,0,0,0|2,0,0]=4 4937 B12R1.267 C=CCOCc1ccccc1F 7a_100000211962_100015514636 [0,2,0,0,0,0|2,0,0]=4 4938 B12R1.267 C=CCOCc1ccccc1I 34a_100000187465_100015514636 [0,2,0,0,0,0|2,0,0]=4 4939 B12R1.267 C=CCOCc1ccccc1I 34a_200000210373_100011215278 [0,2,0,0,0,0|2,0,0]=4 4940 B12R1.267 C=CCOCc1ccccc1I 7a_100000187465_100015514636 [0,2,0,0,0,0|2,0,0]=4 4941 B12R1.267 C=CCOCc1ccccc1N 34a_100000212039_100015514636 [0,2,0,0,0,0|2,0,0]=4 4942 B12R1.267 C=CCSCc1ccccc1Br 62a_100000184730_100000210623 [0,2,0,0,0,0|2,0,0]=4 4943 B12R1.267 C=CCSCc1ccccc1Br 62a_100000210623_100000184730 [0,2,0,0,0,0|2,0,0]=4 4944 B12R1.267 C=CCSCc1ccccc1C 62a_100000210623_100000211839 [0,2,0,0,0,0|2,0,0]=4 4945 B12R1.267 C=CCSCc1ccccc1C 62a_100000211839_100000210623 [0,2,0,0,0,0|2,0,0]=4 4946 B12R1.267 C=CCSCc1ccccc1Cl 62a_100000187162_100000210623 [0,2,0,0,0,0|2,0,0]=4 4947 B12R1.267 C=CCSCc1ccccc1Cl 62a_100000210623_100000187162 [0,2,0,0,0,0|2,0,0]=4 4948 B12R1.267 C=CCSCc1ccccc1F 62a_100000210623_100000211605 [0,2,0,0,0,0|2,0,0]=4 4949 B12R1.267 C=CCSCc1ccccc1F 62a_100000211605_100000210623 [0,2,0,0,0,0|2,0,0]=4 4950 B12R1.267 C=CCSCc1ccccc1I 62a_100000210623_100011216222 [0,2,0,0,0,0|2,0,0]=4 4951 B12R1.267 C=CCSCc1ccccc1I 62a_100011216222_100000210623 [0,2,0,0,0,0|2,0,0]=4 4952 B12R1.267 CC=CCNc1ccccc1Br 34a_100000210017_100000070051 [0,2,0,0,0,0|2,0,0]=4 4953 B12R1.267 CC=CCNc1ccccc1C 34a_100015192222_100000070051 [0,2,0,0,0,0|2,0,0]=4 4954 B12R1.267 CC=CCNc1ccccc1Cl 34a_100000185783_100000070051 [0,2,0,0,0,0|2,0,0]=4 4955 B12R1.267 CC=CCNc1ccccc1F 34a_100000210422_100000070051 [0,2,0,0,0,0|2,0,0]=4 4956 B12R1.267 CC=CCNc1ccccc1I 34a_100000210053_100000070051 [0,2,0,0,0,0|2,0,0]=4 4957 B12R1.267 CC=CCNc1ccccc1O 34a_100000185747_100000070051 [0,2,0,0,0,0|2,0,0]=4 4958 B12R1.267 CC=CCOc1ccccc1Br 34a_100000181306_100000070051 [0,2,0,0,0,0|2,0,0]=4 4959 B12R1.267 CC=CCOc1ccccc1Br 7a_100000181306_100000070051 [0,2,0,0,0,0|2,0,0]=4 4960 B12R1.267 CC=CCOc1ccccc1C 34a_100000210338_100000070051 [0,2,0,0,0,0|2,0,0]=4 4961 B12R1.267 CC=CCOc1ccccc1C 7a_100000210338_100000070051 [0,2,0,0,0,0|2,0,0]=4 4962 B12R1.267 CC=CCOc1ccccc1Cl 34a_100000210172_100000070051 [0,2,0,0,0,0|2,0,0]=4 4963 B12R1.267 CC=CCOc1ccccc1Cl 7a_100000210172_100000070051 [0,2,0,0,0,0|2,0,0]=4 4964 B12R1.267 CC=CCOc1ccccc1F 34a_100000210171_100000070051 [0,2,0,0,0,0|2,0,0]=4 4965 B12R1.267 CC=CCOc1ccccc1F 7a_100000210171_100000070051 [0,2,0,0,0,0|2,0,0]=4 4966 B12R1.267 CC=CCOc1ccccc1I 34a_100000739446_100000070051 [0,2,0,0,0,0|2,0,0]=4 4967 B12R1.267 CC=CCOc1ccccc1I 7a_100000739446_100000070051 [0,2,0,0,0,0|2,0,0]=4 4968 B12R1.267 CC=CCOc1ccccc1N 34a_100000185747_100000070051 [0,2,0,0,0,0|2,0,0]=4 4969 B12R1.267 CC=CCOc1ccccc1N 7a_100000185747_100000070051 [0,2,0,0,0,0|2,0,0]=4 4970 B12R1.267 CC=CCSc1ccccc1Br 62a_100000070051_100000695589 [0,2,0,0,0,0|2,0,0]=4 4971 B12R1.267 CC=CCSc1ccccc1Br 62a_100000695589_100000070051 [0,2,0,0,0,0|2,0,0]=4 4972 B12R1.267 CC=CCSc1ccccc1C 62a_100000070051_100000210755 [0,2,0,0,0,0|2,0,0]=4 4973 B12R1.267 CC=CCSc1ccccc1C 62a_100000210755_100000070051 [0,2,0,0,0,0|2,0,0]=4 4974 B12R1.267 CC=CCSc1ccccc1Cl 62a_100000070051_100000764095 [0,2,0,0,0,0|2,0,0]=4 4975 B12R1.267 CC=CCSc1ccccc1Cl 62a_100000764095_100000070051 [0,2,0,0,0,0|2,0,0]=4 4976 B12R1.267 CC=CCSc1ccccc1F 62a_100000070051_100011215700 [0,2,0,0,0,0|2,0,0]=4 4977 B12R1.267 CC=CCSc1ccccc1F 62a_100011215700_100000070051 [0,2,0,0,0,0|2,0,0]=4 4978 B12R1.267 CC=CCSc1ccccc1N 62a_100000070051_100000210017 [0,2,0,0,0,0|2,0,0]=4 4979 B12R1.267 CC=CCSc1ccccc1N 62a_100000210017_100000070051 [0,2,0,0,0,0|2,0,0]=4 4980 B12R1.267 CC=CCSc1ccccc1O 62a_100000070051_100000739446 [0,2,0,0,0,0|2,0,0]=4 4981 B12R1.267 CC=CCSc1ccccc1O 62a_100000739446_100000070051 [0,2,0,0,0,0|2,0,0]=4 4982 B12R1.267 CC=NNCc1ccccc1Br 4a_200016993956_200000210099 [0,2,0,0,0,0|1,0,0]=3 4983 B12R1.267 CC=NNCc1ccccc1C 4a_100000737298_200000210099 [0,2,0,0,0,0|1,0,0]=3 4984 B12R1.267 CC=NNCc1ccccc1Cl 4a_100015187261_200000210099 [0,2,0,0,0,0|1,0,0]=3 4985 B12R1.267 CC=NNCc1ccccc1F 4a_100015200773_200000210099 [0,2,0,0,0,0|1,0,0]=3 4986 B12R1.267 CCCNCc1ccccc1Br 207a_100020643023_100000211189 [0,2,0,0,0,0|1,0,1]=4 4987 B12R1.267 CCCNCc1ccccc1Br 2230a_100000689332_100000210303 [0,2,0,0,0,0|1,0,1]=4 4988 B12R1.267 CCCNCc1ccccc1Br 270004a_100020643023_100000211189 [0,2,0,0,0,0|1,0,1]=4 4989 B12R1.267 CCCNCc1ccccc1Br 34a_100000689332_100000210303 [0,2,0,0,0,0|1,0,1]=4 4990 B12R1.267 CCCNCc1ccccc1C 207a_100020643023_100000211143 [0,2,0,0,0,0|1,0,1]=4 4991 B12R1.267 CCCNCc1ccccc1C 270004a_100020643023_100000211143 [0,2,0,0,0,0|1,0,1]=4 4992 B12R1.267 CCCNCc1ccccc1C 34a_100000174972_100000210303 [0,2,0,0,0,0|1,0,1]=4 4993 B12R1.267 CCCNCc1ccccc1Cl 207a_100020643023_100000210073 [0,2,0,0,0,0|1,0,1]=4 4994 B12R1.267 CCCNCc1ccccc1Cl 2230a_100000174879_100000210303 [0,2,0,0,0,0|1,0,1]=4 4995 B12R1.267 CCCNCc1ccccc1Cl 270004a_100020643023_100000210073 [0,2,0,0,0,0|1,0,1]=4 4996 B12R1.267 CCCNCc1ccccc1Cl 34a_100000174879_100000210303 [0,2,0,0,0,0|1,0,1]=4 4997 B12R1.267 CCCNCc1ccccc1F 207a_100020643023_100000210811 [0,2,0,0,0,0|1,0,1]=4 4998 B12R1.267 CCCNCc1ccccc1F 270004a_100020643023_100000210811 [0,2,0,0,0,0|1,0,1]=4 4999 B12R1.267 CCCNCc1ccccc1F 34a_100000174869_100000210303 [0,2,0,0,0,0|1,0,1]=4 5000 B12R1.267 CCCNCc1ccccc1I 207a_100020643023_100000010305 [0,2,0,0,0,0|1,0,1]=4 5001 B12R1.267 CCCNCc1ccccc1I 270004a_100020643023_100000010305 [0,2,0,0,0,0|1,0,1]=4 5002 B12R1.267 CCCNCc1ccccc1O 271570a_203496583355_100000196483 [0,2,0,0,0,0|1,0,1]=4 5003 B12R1.267 CCCNCc1ccccc1O 34a_100000185550_100000210303 [0,2,0,0,0,0|1,0,1]=4 5004 B12R1.267 CCNCCc1ccccc1Br 2230a_100000747383_100000210202 [0,2,0,0,0,0|1,0,1]=4 5005 B12R1.267 CCNCCc1ccccc1Br 2230a_100015525214_100012161201 [0,2,0,0,0,0|1,0,1]=4 5006 B12R1.267 CCNCCc1ccccc1Br 34a_100000747383_100000210202 [0,2,0,0,0,0|1,0,1]=4 5007 B12R1.267 CCNCCc1ccccc1C 2230a_100000685071_100000210202 [0,2,0,0,0,0|1,0,1]=4 5008 B12R1.267 CCNCCc1ccccc1C 2230a_100015525214_100011713688 [0,2,0,0,0,0|1,0,1]=4 5009 B12R1.267 CCNCCc1ccccc1C 34a_100000685071_100000210202 [0,2,0,0,0,0|1,0,1]=4 5010 B12R1.267 CCNCCc1ccccc1Cl 2230a_100011207228_100000210202 [0,2,0,0,0,0|1,0,1]=4 5011 B12R1.267 CCNCCc1ccccc1Cl 2230a_100015525214_100011713703 [0,2,0,0,0,0|1,0,1]=4 5012 B12R1.267 CCNCCc1ccccc1Cl 270004a_100015525214_200011713468 [0,2,0,0,0,0|1,0,1]=4 5013 B12R1.267 CCNCCc1ccccc1Cl 34a_100011207228_100000210202 [0,2,0,0,0,0|1,0,1]=4 5014 B12R1.267 CCNCCc1ccccc1F 2230a_100000185272_100000210202 [0,2,0,0,0,0|1,0,1]=4 5015 B12R1.267 CCNCCc1ccccc1F 2230a_100015525214_100011713696 [0,2,0,0,0,0|1,0,1]=4 5016 B12R1.267 CCNCCc1ccccc1F 34a_100000185272_100000210202 [0,2,0,0,0,0|1,0,1]=4 5017 B12R1.267 CCNCCc1ccccc1O 34a_100011207237_100000210202 [0,2,0,0,0,0|1,0,1]=4 5018 B12R1.267 COCNCc1ccccc1Br 2230a_100000689332_100000766300 [0,2,0,0,0,0|0,0,2]=4 5019 B12R1.267 COCNCc1ccccc1Cl 2230a_100000174879_100000766300 [0,2,0,0,0,0|0,0,2]=4 5020 B12R1.267 CSCNCc1ccccc1Br 2230a_100000689332_100011218213 [0,2,0,0,0,0|0,1,1]=4 5021 B12R1.267 CSCNCc1ccccc1Br 34a_100000689332_100011218213 [0,2,0,0,0,0|0,1,1]=4 5022 B12R1.267 CSCNCc1ccccc1C 34a_100000174972_100011218213 [0,2,0,0,0,0|0,1,1]=4 5023 B12R1.267 CSCNCc1ccccc1Cl 2230a_100000174879_100011218213 [0,2,0,0,0,0|0,1,1]=4 5024 B12R1.267 CSCNCc1ccccc1Cl 34a_100000174879_100011218213 [0,2,0,0,0,0|0,1,1]=4 5025 B12R1.267 CSCNCc1ccccc1F 34a_100000174869_100011218213 [0,2,0,0,0,0|0,1,1]=4 5026 B12R1.267 CSCNCc1ccccc1O 34a_100000185550_100011218213 [0,2,0,0,0,0|0,1,1]=4 5027 B12R1.267 Cc1ccccc1CCNCF 34a_100000685071_100015361967 [0,2,0,0,0,0|1,0,1]=4 5028 B12R1.267 Cc1ccccc1CNCC=O 34a_100000174972_200009817547 [0,2,0,0,0,0|0,0,0]=2 5029 B12R1.267 Cc1ccccc1CNCCF 34a_100000174972_100011217306 [0,2,0,0,0,0|1,0,1]=4 5030 B12R1.267 Cc1ccccc1CNCCF 34a_100000724931_100000211839 [0,2,0,0,0,0|1,0,1]=4 5031 B12R1.267 Cc1ccccc1CNCCO 207a_100000210304_100000211143 [0,2,0,0,0,0|0,0,2]=4 5032 B12R1.267 Cc1ccccc1CNCCO 2230a_100016997473_100000211839 [0,2,0,0,0,0|0,0,2]=4 5033 B12R1.267 Cc1ccccc1CNCCO 270004a_100000210304_100000211143 [0,2,0,0,0,0|0,0,2]=4 5034 B12R1.267 Cc1ccccc1CNCCO 34a_100000174972_100000211926 [0,2,0,0,0,0|0,0,2]=4 5035 B12R1.267 Cc1ccccc1CNCCO 34a_100016990907_100000211839 [0,2,0,0,0,0|0,0,2]=4 5036 B12R1.267 Cc1ccccc1COCC=O 34a_100000698903_200009817547 [0,2,0,0,0,0|1,0,0]=3 5037 B12R1.267 Cc1ccccc1COCC=O 7a_100000698903_200015260668 [0,2,0,0,0,0|1,0,0]=3 5038 B12R1.267 Cc1ccccc1CSCC=O 62a_100000211839_200015260668 [0,2,0,0,0,0|1,0,0]=3 5039 B12R1.267 Cc1ccccc1CSCC=O 62a_200015260668_100000211839 [0,2,0,0,0,0|1,0,0]=3 5040 B12R1.267 Cc1cccnc1CNCC=O 34a_100011223789_200009817547 [0,2,0,0,0,0|1,0,0]=3 5041 B12R1.267 Cc1cccnc1COCC=O 34a_100000698912_200009817547 [0,2,0,0,0,0|2,0,0]=4 5042 B12R1.267 Cc1cccnc1CSCC=O 62a_100000696600_200015260668 [0,2,0,0,0,0|2,0,0]=4 5043 B12R1.267 Cc1cccnc1CSCC=O 62a_200015260668_100000696600 [0,2,0,0,0,0|2,0,0]=4 5044 B12R1.267 Cc1ccncc1COCC=O 34a_100011996381_200009817547 [0,2,0,0,0,0|2,0,0]=4 5045 B12R1.267 Cc1ccncc1CSCC=O 62a_100000690890_200015260668 [0,2,0,0,0,0|2,0,0]=4 5046 B12R1.267 Cc1ccncc1CSCC=O 62a_200015260668_100000690890 [0,2,0,0,0,0|2,0,0]=4 5047 B12R1.267 Cc1cnccc1COCC=O 34a_100011997032_200009817547 [0,2,0,0,0,0|2,0,0]=4 5048 B12R1.267 Cc1cnccc1CSCC=O 62a_100020672808_200015260668 [0,2,0,0,0,0|2,0,0]=4 5049 B12R1.267 Cc1cnccc1CSCC=O 62a_200015260668_100020672808 [0,2,0,0,0,0|2,0,0]=4 5050 B12R1.267 Cc1ncccc1COCC=O 34a_100000729262_200009817547 [0,2,0,0,0,0|2,0,0]=4 5051 B12R1.267 Cc1ncccc1COCC=O 7a_100000729262_200015260668 [0,2,0,0,0,0|2,0,0]=4 5052 B12R1.267 Cc1ncccc1CSCC=O 62a_100000732876_200015260668 [0,2,0,0,0,0|2,0,0]=4 5053 B12R1.267 Cc1ncccc1CSCC=O 62a_200015260668_100000732876 [0,2,0,0,0,0|2,0,0]=4 5054 B12R1.267 Cc1nccnc1CNCC=O 2230a_100020641712_200015260668 [0,2,0,0,0,0|2,0,0]=4 5055 B12R1.267 Cc1nccnc1CNCC=O 34a_100020641712_200009817547 [0,2,0,0,0,0|2,0,0]=4 5056 B12R1.267 FCCNCc1ccccc1Br 2230a_100000689332_100011217306 [0,2,0,0,0,0|1,0,1]=4 5057 B12R1.267 FCCNCc1ccccc1Br 34a_100000689332_100011217306 [0,2,0,0,0,0|1,0,1]=4 5058 B12R1.267 FCCNCc1ccccc1Br 34a_100000724931_100000184730 [0,2,0,0,0,0|1,0,1]=4 5059 B12R1.267 FCCNCc1ccccc1Cl 2230a_100000174879_100011217306 [0,2,0,0,0,0|1,0,1]=4 5060 B12R1.267 FCCNCc1ccccc1Cl 34a_100000174879_100011217306 [0,2,0,0,0,0|1,0,1]=4 5061 B12R1.267 FCCNCc1ccccc1Cl 34a_100000724931_100000187162 [0,2,0,0,0,0|1,0,1]=4 5062 B12R1.267 FCCNCc1ccccc1F 34a_100000174869_100011217306 [0,2,0,0,0,0|1,0,1]=4 5063 B12R1.267 FCCNCc1ccccc1F 34a_100000724931_100000211605 [0,2,0,0,0,0|1,0,1]=4 5064 B12R1.267 FCCNCc1ccccc1I 34a_100000724931_100011215278 [0,2,0,0,0,0|1,0,1]=4 5065 B12R1.267 FCNCCc1ccccc1Br 34a_100000747383_100015361967 [0,2,0,0,0,0|1,0,1]=4 5066 B12R1.267 FCNCCc1ccccc1Cl 34a_100011207228_100015361967 [0,2,0,0,0,0|1,0,1]=4 5067 B12R1.267 FCNCCc1ccccc1F 34a_100000185272_100015361967 [0,2,0,0,0,0|1,0,1]=4 5068 B12R1.267 N#CCNCc1ccccc1Br 2230a_100000689332_100011215382 [0,2,0,0,0,0|1,0,1]=4 5069 B12R1.267 N#CCNCc1ccccc1Cl 2230a_100000174879_100011215382 [0,2,0,0,0,0|1,0,1]=4 5070 B12R1.267 Nc1ccccc1COCC=O 34a_100000212039_200009817547 [0,2,0,0,0,0|1,0,0]=3 5071 B12R1.267 Nc1cccnc1COCC=O 34a_114873767017_200009817547 [0,2,0,0,0,0|2,0,0]=4 5072 B12R1.267 O=CCNCc1ccccc1Br 2230a_100000689332_200015260668 [0,2,0,0,0,0|0,0,0]=2 5073 B12R1.267 O=CCNCc1ccccc1Br 34a_100000689332_200009817547 [0,2,0,0,0,0|0,0,0]=2 5074 B12R1.267 O=CCNCc1ccccc1Cl 2230a_100000174879_200015260668 [0,2,0,0,0,0|0,0,0]=2 5075 B12R1.267 O=CCNCc1ccccc1Cl 34a_100000174879_200009817547 [0,2,0,0,0,0|0,0,0]=2 5076 B12R1.267 O=CCNCc1ccccc1F 34a_100000174869_200009817547 [0,2,0,0,0,0|0,0,0]=2 5077 B12R1.267 O=CCNCc1ccccc1O 34a_100000185550_200009817547 [0,2,0,0,0,0|0,0,0]=2 5078 B12R1.267 O=CCNCc1cccnc1Br 2230a_100009818023_200015260668 [0,2,0,0,0,0|1,0,0]=3 5079 B12R1.267 O=CCNCc1cccnc1Br 34a_100009818023_200009817547 [0,2,0,0,0,0|1,0,0]=3 5080 B12R1.267 O=CCNCc1cccnc1Cl 2230a_100015189234_200015260668 [0,2,0,0,0,0|1,0,0]=3 5081 B12R1.267 O=CCNCc1cccnc1Cl 34a_100015189234_200009817547 [0,2,0,0,0,0|1,0,0]=3 5082 B12R1.267 O=CCNCc1cccnc1F 34a_100000724633_200009817547 [0,2,0,0,0,0|1,0,0]=3 5083 B12R1.267 O=CCNCc1ccncc1F 34a_100011935246_200009817547 [0,2,0,0,0,0|1,0,0]=3 5084 B12R1.267 O=CCNCc1ncccc1Cl 2230a_100015189233_200015260668 [0,2,0,0,0,0|1,0,0]=3 5085 B12R1.267 O=CCNCc1ncccc1F 34a_100000690088_200009817547 [0,2,0,0,0,0|1,0,0]=3 5086 B12R1.267 O=CCNCc1nccnc1Cl 2230a_100000729963_200015260668 [0,2,0,0,0,0|2,0,0]=4 5087 B12R1.267 O=CCOCc1ccccc1Br 34a_100000756307_200009817547 [0,2,0,0,0,0|1,0,0]=3 5088 B12R1.267 O=CCOCc1ccccc1Br 7a_100000756307_200015260668 [0,2,0,0,0,0|1,0,0]=3 5089 B12R1.267 O=CCOCc1ccccc1Cl 34a_100000210847_200009817547 [0,2,0,0,0,0|1,0,0]=3 5090 B12R1.267 O=CCOCc1ccccc1Cl 7a_100000210847_200015260668 [0,2,0,0,0,0|1,0,0]=3 5091 B12R1.267 O=CCOCc1ccccc1F 34a_100000211962_200009817547 [0,2,0,0,0,0|1,0,0]=3 5092 B12R1.267 O=CCOCc1ccccc1F 7a_100000211962_200015260668 [0,2,0,0,0,0|1,0,0]=3 5093 B12R1.267 O=CCOCc1ccccc1I 34a_100000187465_200009817547 [0,2,0,0,0,0|1,0,0]=3 5094 B12R1.267 O=CCOCc1ccccc1I 7a_100000187465_200015260668 [0,2,0,0,0,0|1,0,0]=3 5095 B12R1.267 O=CCOCc1cccnc1Br 34a_100000719692_200009817547 [0,2,0,0,0,0|2,0,0]=4 5096 B12R1.267 O=CCOCc1cccnc1Br 7a_100000719692_200015260668 [0,2,0,0,0,0|2,0,0]=4 5097 B12R1.267 O=CCOCc1cccnc1Cl 34a_100000748726_200009817547 [0,2,0,0,0,0|2,0,0]=4 5098 B12R1.267 O=CCOCc1cccnc1Cl 7a_100000748726_200015260668 [0,2,0,0,0,0|2,0,0]=4 5099 B12R1.267 O=CCOCc1cccnc1F 34a_100000079888_200009817547 [0,2,0,0,0,0|2,0,0]=4 5100 B12R1.267 O=CCOCc1cccnc1F 7a_100000079888_200015260668 [0,2,0,0,0,0|2,0,0]=4 5101 B12R1.267 O=CCOCc1ccncc1F 34a_100012172863_200009817547 [0,2,0,0,0,0|2,0,0]=4 5102 B12R1.267 O=CCOCc1cnccc1Cl 34a_100000117392_200009817547 [0,2,0,0,0,0|2,0,0]=4 5103 B12R1.267 O=CCOCc1ncccc1Br 34a_100011996772_200009817547 [0,2,0,0,0,0|2,0,0]=4 5104 B12R1.267 O=CCOCc1ncccc1Cl 34a_100012002383_200009817547 [0,2,0,0,0,0|2,0,0]=4 5105 B12R1.267 O=CCOCc1ncccc1F 34a_100011934865_200009817547 [0,2,0,0,0,0|2,0,0]=4 5106 B12R1.267 O=CCSCc1ccccc1Br 62a_100000184730_200015260668 [0,2,0,0,0,0|1,0,0]=3 5107 B12R1.267 O=CCSCc1ccccc1Br 62a_200015260668_100000184730 [0,2,0,0,0,0|1,0,0]=3 5108 B12R1.267 O=CCSCc1ccccc1Cl 62a_100000187162_200015260668 [0,2,0,0,0,0|1,0,0]=3 5109 B12R1.267 O=CCSCc1ccccc1Cl 62a_200015260668_100000187162 [0,2,0,0,0,0|1,0,0]=3 5110 B12R1.267 O=CCSCc1ccccc1F 62a_100000211605_200015260668 [0,2,0,0,0,0|1,0,0]=3 5111 B12R1.267 O=CCSCc1ccccc1F 62a_200015260668_100000211605 [0,2,0,0,0,0|1,0,0]=3 5112 B12R1.267 O=CCSCc1ccccc1I 62a_100011216222_200015260668 [0,2,0,0,0,0|1,0,0]=3 5113 B12R1.267 O=CCSCc1ccccc1I 62a_200015260668_100011216222 [0,2,0,0,0,0|1,0,0]=3 5114 B12R1.267 O=CCSCc1cccnc1Br 62a_100010140945_200015260668 [0,2,0,0,0,0|2,0,0]=4 5115 B12R1.267 O=CCSCc1cccnc1Br 62a_200015260668_100010140945 [0,2,0,0,0,0|2,0,0]=4 5116 B12R1.267 O=CCSCc1cccnc1Cl 62a_100000045678_200015260668 [0,2,0,0,0,0|2,0,0]=4 5117 B12R1.267 O=CCSCc1cccnc1Cl 62a_200015260668_100000045678 [0,2,0,0,0,0|2,0,0]=4 5118 B12R1.267 O=CCSCc1cccnc1F 62a_100000099810_200015260668 [0,2,0,0,0,0|2,0,0]=4 5119 B12R1.267 O=CCSCc1cccnc1F 62a_200015260668_100000099810 [0,2,0,0,0,0|2,0,0]=4 5120 B12R1.267 O=CCSCc1ccncc1Cl 62a_100000763264_200015260668 [0,2,0,0,0,0|2,0,0]=4 5121 B12R1.267 O=CCSCc1ccncc1Cl 62a_200015260668_100000763264 [0,2,0,0,0,0|2,0,0]=4 5122 B12R1.267 O=CCSCc1ncccc1Br 62a_100025702911_200015260668 [0,2,0,0,0,0|2,0,0]=4 5123 B12R1.267 O=CCSCc1ncccc1Br 62a_200015260668_100025702911 [0,2,0,0,0,0|2,0,0]=4 5124 B12R1.267 O=CCSCc1ncccc1Cl 62a_100000099807_200015260668 [0,2,0,0,0,0|2,0,0]=4 5125 B12R1.267 O=CCSCc1ncccc1Cl 62a_200015260668_100000099807 [0,2,0,0,0,0|2,0,0]=4 5126 B12R1.267 O=CCSCc1ncccc1F 62a_100000104219_200015260668 [0,2,0,0,0,0|2,0,0]=4 5127 B12R1.267 O=CCSCc1ncccc1F 62a_200015260668_100000104219 [0,2,0,0,0,0|2,0,0]=4 5128 B12R1.267 O=CCSCc1ncccc1O 62a_200015260668_200020655725 [0,2,0,0,0,0|2,0,0]=4 5129 B12R1.267 O=CCSCc1ncccc1O 62a_200020655725_200015260668 [0,2,0,0,0,0|2,0,0]=4 5130 B12R1.267 OCCNCc1ccccc1Br 207a_100000210304_100000211189 [0,2,0,0,0,0|0,0,2]=4 5131 B12R1.267 OCCNCc1ccccc1Br 2230a_100000689332_100000211926 [0,2,0,0,0,0|0,0,2]=4 5132 B12R1.267 OCCNCc1ccccc1Br 2230a_100016997473_100000184730 [0,2,0,0,0,0|0,0,2]=4 5133 B12R1.267 OCCNCc1ccccc1Br 270004a_100000210304_100000211189 [0,2,0,0,0,0|0,0,2]=4 5134 B12R1.267 OCCNCc1ccccc1Br 34a_100000689332_100000211926 [0,2,0,0,0,0|0,0,2]=4 5135 B12R1.267 OCCNCc1ccccc1Br 34a_100016990907_100000184730 [0,2,0,0,0,0|0,0,2]=4 5136 B12R1.267 OCCNCc1ccccc1Cl 207a_100000210304_100000210073 [0,2,0,0,0,0|0,0,2]=4 5137 B12R1.267 OCCNCc1ccccc1Cl 2230a_100000174879_100000211926 [0,2,0,0,0,0|0,0,2]=4 5138 B12R1.267 OCCNCc1ccccc1Cl 2230a_100016997473_100000187162 [0,2,0,0,0,0|0,0,2]=4 5139 B12R1.267 OCCNCc1ccccc1Cl 270004a_100000210304_100000210073 [0,2,0,0,0,0|0,0,2]=4 5140 B12R1.267 OCCNCc1ccccc1Cl 34a_100000174879_100000211926 [0,2,0,0,0,0|0,0,2]=4 5141 B12R1.267 OCCNCc1ccccc1Cl 34a_100016990907_100000187162 [0,2,0,0,0,0|0,0,2]=4 5142 B12R1.267 OCCNCc1ccccc1F 207a_100000210304_100000210811 [0,2,0,0,0,0|0,0,2]=4 5143 B12R1.267 OCCNCc1ccccc1F 2230a_100016997473_100000211605 [0,2,0,0,0,0|0,0,2]=4 5144 B12R1.267 OCCNCc1ccccc1F 270004a_100000210304_100000210811 [0,2,0,0,0,0|0,0,2]=4 5145 B12R1.267 OCCNCc1ccccc1F 34a_100000174869_100000211926 [0,2,0,0,0,0|0,0,2]=4 5146 B12R1.267 OCCNCc1ccccc1F 34a_100016990907_100000211605 [0,2,0,0,0,0|0,0,2]=4 5147 B12R1.267 OCCNCc1ccccc1I 207a_100000210304_100000010305 [0,2,0,0,0,0|0,0,2]=4 5148 B12R1.267 OCCNCc1ccccc1I 2230a_100016997473_100011215278 [0,2,0,0,0,0|0,0,2]=4 5149 B12R1.267 OCCNCc1ccccc1I 270004a_100000210304_100000010305 [0,2,0,0,0,0|0,0,2]=4 5150 B12R1.267 OCCNCc1ccccc1I 34a_100016990907_100011215278 [0,2,0,0,0,0|0,0,2]=4 5151 B12R1.267 OCCNCc1ccccc1O 271570a_203496583355_106744479749 [0,2,0,0,0,0|0,0,2]=4 5152 B12R1.267 OCCNCc1ccccc1O 34a_100000185550_100000211926 [0,2,0,0,0,0|0,0,2]=4 5153 B12R1.267 Oc1ccccc1CCNCF 34a_100011207237_100015361967 [0,2,0,0,0,0|1,0,1]=4 5154 B12R1.267 Oc1ccccc1CNCCF 34a_100000185550_100011217306 [0,2,0,0,0,0|1,0,1]=4 5155 B12R1.371 C=CC(=O)Cc1ccccc1Br 1458a_100000185746_100000184730 [0,2,0,0,0,0|2,0,0]=4 5156 B12R1.371 C=CC(=O)Cc1ccccc1C 1458a_100000185746_100000211839 [0,2,0,0,0,0|2,0,0]=4 5157 B12R1.371 C=CC(=O)Cc1ccccc1Cl 1458a_100000185746_100000187162 [0,2,0,0,0,0|2,0,0]=4 5158 B12R1.371 C=CC(=O)Cc1ccccc1F 1458a_100000185746_100000187165 [0,2,0,0,0,0|2,0,0]=4 5159 B12R1.371 C=CC(=O)Cc1ccccc1I 1458a_100000185746_100011216222 [0,2,0,0,0,0|2,0,0]=4 5160 B12R1.371 CCN(C)Cc1ccccc1Br 2230a_100000184654_100000210202 [0,2,0,0,0,0|1,0,1]=4 5161 B12R1.371 CCN(C)Cc1ccccc1Br 2230a_100000225621_100000184730 [0,2,0,0,0,0|1,0,1]=4 5162 B12R1.371 CCN(C)Cc1ccccc1Br 269982a_100000184654_100000204670 [0,2,0,0,0,0|1,0,1]=4 5163 B12R1.371 CCN(C)Cc1ccccc1Br 269982a_100000225621_100000184730 [0,2,0,0,0,0|1,0,1]=4 5164 B12R1.371 CCN(C)Cc1ccccc1Br 26a_100000225621_100000181306 [0,2,0,0,0,0|1,0,1]=4 5165 B12R1.371 CCN(C)Cc1ccccc1C 2230a_100000184421_100000210202 [0,2,0,0,0,0|1,0,1]=4 5166 B12R1.371 CCN(C)Cc1ccccc1C 2230a_100000201206_200000210301 [0,2,0,0,0,0|1,0,1]=4 5167 B12R1.371 CCN(C)Cc1ccccc1C 2230a_100000225621_100000211839 [0,2,0,0,0,0|1,0,1]=4 5168 B12R1.371 CCN(C)Cc1ccccc1C 269982a_100000184421_100000204670 [0,2,0,0,0,0|1,0,1]=4 5169 B12R1.371 CCN(C)Cc1ccccc1C 269982a_100000201206_200000210301 [0,2,0,0,0,0|1,0,1]=4 5170 B12R1.371 CCN(C)Cc1ccccc1C 269982a_100000225621_100000211839 [0,2,0,0,0,0|1,0,1]=4 5171 B12R1.371 CCN(C)Cc1ccccc1Cl 2230a_100000184507_100000210202 [0,2,0,0,0,0|1,0,1]=4 5172 B12R1.371 CCN(C)Cc1ccccc1Cl 2230a_100000201176_200000210301 [0,2,0,0,0,0|1,0,1]=4 5173 B12R1.371 CCN(C)Cc1ccccc1Cl 2230a_100000225621_100000187162 [0,2,0,0,0,0|1,0,1]=4 5174 B12R1.371 CCN(C)Cc1ccccc1Cl 269982a_100000184507_100000204670 [0,2,0,0,0,0|1,0,1]=4 5175 B12R1.371 CCN(C)Cc1ccccc1Cl 269982a_100000201176_200000210301 [0,2,0,0,0,0|1,0,1]=4 5176 B12R1.371 CCN(C)Cc1ccccc1Cl 269982a_100000225621_100000187162 [0,2,0,0,0,0|1,0,1]=4 5177 B12R1.371 CCN(C)Cc1ccccc1Cl 26a_100000225621_100000210172 [0,2,0,0,0,0|1,0,1]=4 5178 B12R1.371 CCN(C)Cc1ccccc1F 2230a_100000225621_100000211605 [0,2,0,0,0,0|1,0,1]=4 5179 B12R1.371 CCN(C)Cc1ccccc1F 2230a_100000742528_100000210202 [0,2,0,0,0,0|1,0,1]=4 5180 B12R1.371 CCN(C)Cc1ccccc1F 2230a_100015186831_200000210301 [0,2,0,0,0,0|1,0,1]=4 5181 B12R1.371 CCN(C)Cc1ccccc1F 269982a_100000225621_100000211605 [0,2,0,0,0,0|1,0,1]=4 5182 B12R1.371 CCN(C)Cc1ccccc1F 269982a_100000742528_100000204670 [0,2,0,0,0,0|1,0,1]=4 5183 B12R1.371 CCN(C)Cc1ccccc1F 269982a_100015186831_200000210301 [0,2,0,0,0,0|1,0,1]=4 5184 B12R1.371 CCN(C)Cc1ccccc1F 34a_100000742528_100000210202 [0,2,0,0,0,0|1,0,1]=4 5185 B12R1.371 CCN(C)Cc1ccccc1F 34a_100015186831_200000210301 [0,2,0,0,0,0|1,0,1]=4 5186 B12R1.371 CCN(C)Cc1ccccc1I 2230a_100000225621_100011215278 [0,2,0,0,0,0|1,0,1]=4 5187 B12R1.371 CCN(C)Cc1ccccc1I 269982a_100000225621_100011215278 [0,2,0,0,0,0|1,0,1]=4 5188 B12R1.371 CCN(C)Cc1ccccc1O 2230a_100011223546_200000210301 [0,2,0,0,0,0|1,0,1]=4 5189 B12R1.371 CCN(C)Cc1ccccc1O 2230a_100015189988_100000210202 [0,2,0,0,0,0|1,0,1]=4 5190 B12R1.371 CCN(C)Cc1ccccc1O 269982a_100011223546_200000210301 [0,2,0,0,0,0|1,0,1]=4 5191 B12R1.371 CCN(C)Cc1ccccc1O 269982a_100015189988_100000204670 [0,2,0,0,0,0|1,0,1]=4 5192 B12R1.371 CCN([13CH3])Cc1ccccc1C 2230a_100000201206_200025704644 [0,2,0,0,0,0|1,0,1]=4 5193 B12R1.371 CCN([13CH3])Cc1ccccc1C 269982a_100000201206_200025704644 [0,2,0,0,0,0|1,0,1]=4 5194 B12R1.371 CCN([13CH3])Cc1ccccc1Cl 2230a_100000201176_200025704644 [0,2,0,0,0,0|1,0,1]=4 5195 B12R1.371 CCN([13CH3])Cc1ccccc1Cl 269982a_100000201176_200025704644 [0,2,0,0,0,0|1,0,1]=4 5196 B12R1.371 CCN([13CH3])Cc1ccccc1F 2230a_100015186831_200025704644 [0,2,0,0,0,0|1,0,1]=4 5197 B12R1.371 CCN([13CH3])Cc1ccccc1F 269982a_100015186831_200025704644 [0,2,0,0,0,0|1,0,1]=4 5198 B12R1.371 CCN([13CH3])Cc1ccccc1F 34a_100015186831_200025704644 [0,2,0,0,0,0|1,0,1]=4 5199 B12R1.371 CCN([13CH3])Cc1ccccc1O 2230a_100011223546_200025704644 [0,2,0,0,0,0|1,0,1]=4 5200 B12R1.371 CCN([13CH3])Cc1ccccc1O 269982a_100011223546_200025704644 [0,2,0,0,0,0|1,0,1]=4 5201 B12R1.371 CN(CF)Cc1ccccc1Br 269982a_100000184654_100015361967 [0,2,0,0,0,0|1,0,1]=4 5202 B12R1.371 CN(CF)Cc1ccccc1Cl 269982a_100000184507_100015361967 [0,2,0,0,0,0|1,0,1]=4 5203 B12R1.371 CN(CF)Cc1ccccc1F 269982a_100000742528_100015361967 [0,2,0,0,0,0|1,0,1]=4 5204 B12R1.371 CN(CF)Cc1ccccc1F 34a_100000742528_100015361967 [0,2,0,0,0,0|1,0,1]=4 5205 B12R1.371 CN(CF)Cc1ccccc1O 269982a_100015189988_100015361967 [0,2,0,0,0,0|1,0,1]=4 5206 B12R1.371 Cc1ccccc1CN(C)CF 269982a_100000184421_100015361967 [0,2,0,0,0,0|1,0,1]=4 5207 B12R1.374 CCNCc1cc(ccc1Br)Br 207a_100015525214_100011266429 [0,2,0,0,0,0|1,0,1]=4 5208 B12R1.374 CCNCc1cc(ccc1Br)Br 2230a_100015525214_100011982794 [0,2,0,0,0,0|1,0,1]=4 5209 B12R1.374 CCNCc1cc(ccc1Br)Br 270004a_100015525214_100011266429 [0,2,0,0,0,0|1,0,1]=4 5210 B12R1.374 CCNCc1cc(ccc1Br)Br 34a_100000707832_100000210202 [0,2,0,0,0,0|1,0,1]=4 5211 B12R1.374 CCNCc1cc(ccc1Br)C 207a_100015525214_100011551863 [0,2,0,0,0,0|1,0,1]=4 5212 B12R1.374 CCNCc1cc(ccc1Br)C 270004a_100015525214_100011551863 [0,2,0,0,0,0|1,0,1]=4 5213 B12R1.374 CCNCc1cc(ccc1Br)Cl 207a_100015525214_100000746314 [0,2,0,0,0,0|1,0,1]=4 5214 B12R1.374 CCNCc1cc(ccc1Br)Cl 2230a_100015525214_100000733903 [0,2,0,0,0,0|1,0,1]=4 5215 B12R1.374 CCNCc1cc(ccc1Br)Cl 270004a_100015525214_100000746314 [0,2,0,0,0,0|1,0,1]=4 5216 B12R1.374 CCNCc1cc(ccc1Br)F 207a_100015525214_100000766564 [0,2,0,0,0,0|1,0,1]=4 5217 B12R1.374 CCNCc1cc(ccc1Br)F 2230a_100000742738_100000210202 [0,2,0,0,0,0|1,0,1]=4 5218 B12R1.374 CCNCc1cc(ccc1Br)F 2230a_100015525214_100000736370 [0,2,0,0,0,0|1,0,1]=4 5219 B12R1.374 CCNCc1cc(ccc1Br)F 270004a_100015525214_100000766564 [0,2,0,0,0,0|1,0,1]=4 5220 B12R1.374 CCNCc1cc(ccc1Br)F 34a_100000742738_100000210202 [0,2,0,0,0,0|1,0,1]=4 5221 B12R1.374 CCNCc1cc(ccc1Br)I 207a_100015525214_100010185652 [0,2,0,0,0,0|1,0,1]=4 5222 B12R1.374 CCNCc1cc(ccc1Br)I 2230a_100015525214_100012355412 [0,2,0,0,0,0|1,0,1]=4 5223 B12R1.374 CCNCc1cc(ccc1C)Br 207a_100015525214_100011361606 [0,2,0,0,0,0|1,0,1]=4 5224 B12R1.374 CCNCc1cc(ccc1C)Br 270004a_100015525214_100011361606 [0,2,0,0,0,0|1,0,1]=4 5225 B12R1.374 CCNCc1cc(ccc1C)C 207a_100015525214_100000211343 [0,2,0,0,0,0|1,0,1]=4 5226 B12R1.374 CCNCc1cc(ccc1C)C 2230a_100015525214_100000184699 [0,2,0,0,0,0|1,0,1]=4 5227 B12R1.374 CCNCc1cc(ccc1C)C 270004a_100015525214_100000211343 [0,2,0,0,0,0|1,0,1]=4 5228 B12R1.374 CCNCc1cc(ccc1C)C 34a_100000174964_100000210202 [0,2,0,0,0,0|1,0,1]=4 5229 B12R1.374 CCNCc1cc(ccc1C)Cl 207a_100015525214_100011551331 [0,2,0,0,0,0|1,0,1]=4 5230 B12R1.374 CCNCc1cc(ccc1C)Cl 2230a_100015525214_100012186985 [0,2,0,0,0,0|1,0,1]=4 5231 B12R1.374 CCNCc1cc(ccc1C)Cl 270004a_100015525214_100011551331 [0,2,0,0,0,0|1,0,1]=4 5232 B12R1.374 CCNCc1cc(ccc1C)Cl 34a_100000717755_100000210202 [0,2,0,0,0,0|1,0,1]=4 5233 B12R1.374 CCNCc1cc(ccc1C)F 207a_100015525214_100000697687 [0,2,0,0,0,0|1,0,1]=4 5234 B12R1.374 CCNCc1cc(ccc1C)F 2230a_100015525214_100000709795 [0,2,0,0,0,0|1,0,1]=4 5235 B12R1.374 CCNCc1cc(ccc1C)F 270004a_100015525214_100000697687 [0,2,0,0,0,0|1,0,1]=4 5236 B12R1.374 CCNCc1cc(ccc1C)F 34a_100011217291_100000210202 [0,2,0,0,0,0|1,0,1]=4 5237 B12R1.374 CCNCc1cc(ccc1C)O 34a_200009844824_100000210202 [0,2,0,0,0,0|1,0,1]=4 5238 B12R1.374 CCNCc1cc(ccc1Cl)Br 207a_100015525214_100000746309 [0,2,0,0,0,0|1,0,1]=4 5239 B12R1.374 CCNCc1cc(ccc1Cl)Br 2230a_100015525214_100000763347 [0,2,0,0,0,0|1,0,1]=4 5240 B12R1.374 CCNCc1cc(ccc1Cl)Br 270004a_100015525214_100000746309 [0,2,0,0,0,0|1,0,1]=4 5241 B12R1.374 CCNCc1cc(ccc1Cl)Br 34a_100025772652_100000210202 [0,2,0,0,0,0|1,0,1]=4 5242 B12R1.374 CCNCc1cc(ccc1Cl)C 207a_100015525214_100011551332 [0,2,0,0,0,0|1,0,1]=4 5243 B12R1.374 CCNCc1cc(ccc1Cl)C 2230a_100015525214_100009871730 [0,2,0,0,0,0|1,0,1]=4 5244 B12R1.374 CCNCc1cc(ccc1Cl)C 2230a_100025705715_100000210202 [0,2,0,0,0,0|1,0,1]=4 5245 B12R1.374 CCNCc1cc(ccc1Cl)C 270004a_100015525214_100011551332 [0,2,0,0,0,0|1,0,1]=4 5246 B12R1.374 CCNCc1cc(ccc1Cl)C 34a_100025705715_100000210202 [0,2,0,0,0,0|1,0,1]=4 5247 B12R1.374 CCNCc1cc(ccc1Cl)Cl 207a_100015525214_100000746308 [0,2,0,0,0,0|1,0,1]=4 5248 B12R1.374 CCNCc1cc(ccc1Cl)Cl 2230a_100015525214_100000756322 [0,2,0,0,0,0|1,0,1]=4 5249 B12R1.374 CCNCc1cc(ccc1Cl)Cl 270004a_100015525214_100000746308 [0,2,0,0,0,0|1,0,1]=4 5250 B12R1.374 CCNCc1cc(ccc1Cl)Cl 34a_100102946428_100000210202 [0,2,0,0,0,0|1,0,1]=4 5251 B12R1.374 CCNCc1cc(ccc1Cl)F 207a_100015525214_100011218309 [0,2,0,0,0,0|1,0,1]=4 5252 B12R1.374 CCNCc1cc(ccc1Cl)F 2230a_100011830483_100000210202 [0,2,0,0,0,0|1,0,1]=4 5253 B12R1.374 CCNCc1cc(ccc1Cl)F 2230a_100015525214_100000709952 [0,2,0,0,0,0|1,0,1]=4 5254 B12R1.374 CCNCc1cc(ccc1Cl)F 270004a_100015525214_100011218309 [0,2,0,0,0,0|1,0,1]=4 5255 B12R1.374 CCNCc1cc(ccc1Cl)F 34a_100011830483_100000210202 [0,2,0,0,0,0|1,0,1]=4 5256 B12R1.374 CCNCc1cc(ccc1Cl)I 207a_100015525214_100010254384 [0,2,0,0,0,0|1,0,1]=4 5257 B12R1.374 CCNCc1cc(ccc1Cl)I 2230a_100015525214_100010188191 [0,2,0,0,0,0|1,0,1]=4 5258 B12R1.374 CCNCc1cc(ccc1F)Br 207a_100015525214_100000211465 [0,2,0,0,0,0|1,0,1]=4 5259 B12R1.374 CCNCc1cc(ccc1F)Br 2230a_100015525214_100000736399 [0,2,0,0,0,0|1,0,1]=4 5260 B12R1.374 CCNCc1cc(ccc1F)Br 270004a_100015525214_100000211465 [0,2,0,0,0,0|1,0,1]=4 5261 B12R1.374 CCNCc1cc(ccc1F)Br 34a_100009815772_100000210202 [0,2,0,0,0,0|1,0,1]=4 5262 B12R1.374 CCNCc1cc(ccc1F)C 207a_100015525214_100000756917 [0,2,0,0,0,0|1,0,1]=4 5263 B12R1.374 CCNCc1cc(ccc1F)C 2230a_100015525214_100011260760 [0,2,0,0,0,0|1,0,1]=4 5264 B12R1.374 CCNCc1cc(ccc1F)C 270004a_100015525214_100000756917 [0,2,0,0,0,0|1,0,1]=4 5265 B12R1.374 CCNCc1cc(ccc1F)C 34a_100102693586_100000210202 [0,2,0,0,0,0|1,0,1]=4 5266 B12R1.374 CCNCc1cc(ccc1F)Cl 207a_100015525214_100000745245 [0,2,0,0,0,0|1,0,1]=4 5267 B12R1.374 CCNCc1cc(ccc1F)Cl 2230a_100015525214_100000716957 [0,2,0,0,0,0|1,0,1]=4 5268 B12R1.374 CCNCc1cc(ccc1F)Cl 270004a_100015525214_100000745245 [0,2,0,0,0,0|1,0,1]=4 5269 B12R1.374 CCNCc1cc(ccc1F)Cl 34a_100011211646_100000210202 [0,2,0,0,0,0|1,0,1]=4 5270 B12R1.374 CCNCc1cc(ccc1F)F 207a_100015525214_100000740046 [0,2,0,0,0,0|1,0,1]=4 5271 B12R1.374 CCNCc1cc(ccc1F)F 2230a_100015525214_100000741279 [0,2,0,0,0,0|1,0,1]=4 5272 B12R1.374 CCNCc1cc(ccc1F)F 270004a_100015525214_100000740046 [0,2,0,0,0,0|1,0,1]=4 5273 B12R1.374 CCNCc1cc(ccc1F)F 34a_100000752317_100000210202 [0,2,0,0,0,0|1,0,1]=4 5274 B12R1.374 CCNCc1cc(ccc1F)I 207a_100015525214_100000050626 [0,2,0,0,0,0|1,0,1]=4 5275 B12R1.374 CCNCc1cc(ccc1F)I 2230a_100015525214_200010149601 [0,2,0,0,0,0|1,0,1]=4 5276 B12R1.374 CCNCc1cc(ccc1F)O 271570a_203496583355_100000748473 [0,2,0,0,0,0|1,0,1]=4 5277 B12R1.374 CCNCc1cc(ccc1I)Br 207a_100015525214_100010185651 [0,2,0,0,0,0|1,0,1]=4 5278 B12R1.374 CCNCc1cc(ccc1I)Br 2230a_100015525214_100012362523 [0,2,0,0,0,0|1,0,1]=4 5279 B12R1.374 CCNCc1cc(ccc1I)Br 270004a_100015525214_100010185651 [0,2,0,0,0,0|1,0,1]=4 5280 B12R1.374 CCNCc1cc(ccc1I)C 207a_100015525214_100010150105 [0,2,0,0,0,0|1,0,1]=4 5281 B12R1.374 CCNCc1cc(ccc1I)C 270004a_100015525214_100010150105 [0,2,0,0,0,0|1,0,1]=4 5282 B12R1.374 CCNCc1cc(ccc1I)Cl 207a_100015525214_100010254386 [0,2,0,0,0,0|1,0,1]=4 5283 B12R1.374 CCNCc1cc(ccc1I)Cl 2230a_100015525214_100012348826 [0,2,0,0,0,0|1,0,1]=4 5284 B12R1.374 CCNCc1cc(ccc1I)Cl 270004a_100015525214_100010254386 [0,2,0,0,0,0|1,0,1]=4 5285 B12R1.374 CCNCc1cc(ccc1I)F 207a_100015525214_100010186294 [0,2,0,0,0,0|1,0,1]=4 5286 B12R1.374 CCNCc1cc(ccc1I)F 2230a_100015525214_100010149606 [0,2,0,0,0,0|1,0,1]=4 5287 B12R1.374 CCNCc1cc(ccc1I)F 270004a_100015525214_100010186294 [0,2,0,0,0,0|1,0,1]=4 5288 B12R1.374 CCNCc1cc(ccc1O)Br 34a_100000730032_100000210202 [0,2,0,0,0,0|1,0,1]=4 5289 B12R1.374 CCNCc1cc(ccc1O)Cl 34a_100000238540_100000210202 [0,2,0,0,0,0|1,0,1]=4 5290 B12R1.374 CCNCc1cc(ccc1O)O 271570a_203496583355_100000765307 [0,2,0,0,0,0|1,0,1]=4 5291 B12R1.374 Cc1ccc(c(c1)CNCF)C 34a_100000174964_100015361967 [0,2,0,0,0,0|1,0,1]=4 5292 B12R1.374 Cc1ccc(c(c1)CNCF)Cl 34a_100025705715_100015361967 [0,2,0,0,0,0|1,0,1]=4 5293 B12R1.374 Cc1ccc(c(c1)CNCF)F 34a_100102693586_100015361967 [0,2,0,0,0,0|1,0,1]=4 5294 B12R1.374 Cc1ccc(c(c1)NCC=O)Br 34a_100000745044_200009817547 [0,2,0,0,0,0|2,0,0]=4 5295 B12R1.374 Cc1ccc(c(c1)NCC=O)C 2230a_100000185781_200015260668 [0,2,0,0,0,0|2,0,0]=4 5296 B12R1.374 Cc1ccc(c(c1)NCC=O)C 34a_100000185781_200009817547 [0,2,0,0,0,0|2,0,0]=4 5297 B12R1.374 Cc1ccc(c(c1)NCC=O)C 7a_100000185781_200015260668 [0,2,0,0,0,0|2,0,0]=4 5298 B12R1.374 Cc1ccc(c(c1)NCC=O)Cl 34a_100011215360_200009817547 [0,2,0,0,0,0|2,0,0]=4 5299 B12R1.374 Cc1ccc(c(c1)NCC=O)F 34a_100000211285_200009817547 [0,2,0,0,0,0|2,0,0]=4 5300 B12R1.374 Cc1ccc(c(c1)NCC=O)I 34a_100011216686_200009817547 [0,2,0,0,0,0|2,0,0]=4 5301 B12R1.374 Cc1ccc(c(c1)NCC=O)O 34a_100011215204_200009817547 [0,2,0,0,0,0|2,0,0]=4 5302 B12R1.374 Cc1ccc(c(c1)OCC=O)Br 34a_100012002257_200009817547 [0,2,0,0,0,0|2,0,0]=4 5303 B12R1.374 Cc1ccc(c(c1)OCC=O)Br 7a_100012002257_200015260668 [0,2,0,0,0,0|2,0,0]=4 5304 B12R1.374 Cc1ccc(c(c1)OCC=O)C 34a_100000210931_200009817547 [0,2,0,0,0,0|2,0,0]=4 5305 B12R1.374 Cc1ccc(c(c1)OCC=O)C 7a_100000210931_200015260668 [0,2,0,0,0,0|2,0,0]=4 5306 B12R1.374 Cc1ccc(c(c1)OCC=O)Cl 34a_100000211493_200009817547 [0,2,0,0,0,0|2,0,0]=4 5307 B12R1.374 Cc1ccc(c(c1)OCC=O)Cl 7a_100000211493_200015260668 [0,2,0,0,0,0|2,0,0]=4 5308 B12R1.374 Cc1ccc(c(c1)OCC=O)F 34a_100000759540_200009817547 [0,2,0,0,0,0|2,0,0]=4 5309 B12R1.374 Cc1ccc(c(c1)OCC=O)F 7a_100000759540_200015260668 [0,2,0,0,0,0|2,0,0]=4 5310 B12R1.374 Cc1ccc(c(c1)OCC=O)N 34a_100000211527_200009817547 [0,2,0,0,0,0|2,0,0]=4 5311 B12R1.374 Cc1ccc(c(c1)OCC=O)N 7a_100000211527_200015260668 [0,2,0,0,0,0|2,0,0]=4 5312 B12R1.374 Cc1ccc(c(c1)SCC=O)Br 62a_100012353751_200015260668 [0,2,0,0,0,0|2,0,0]=4 5313 B12R1.374 Cc1ccc(c(c1)SCC=O)Br 62a_200015260668_100012353751 [0,2,0,0,0,0|2,0,0]=4 5314 B12R1.374 Cc1ccc(c(c1)SCC=O)C 62a_100000210833_200015260668 [0,2,0,0,0,0|2,0,0]=4 5315 B12R1.374 Cc1ccc(c(c1)SCC=O)C 62a_200015260668_100000210833 [0,2,0,0,0,0|2,0,0]=4 5316 B12R1.374 Cc1ccc(c(c1)SCC=O)Cl 62a_100012356289_200015260668 [0,2,0,0,0,0|2,0,0]=4 5317 B12R1.374 Cc1ccc(c(c1)SCC=O)Cl 62a_200015260668_100012356289 [0,2,0,0,0,0|2,0,0]=4 5318 B12R1.374 Cc1ccc(c(c1)SCC=O)F 62a_100000736223_200015260668 [0,2,0,0,0,0|2,0,0]=4 5319 B12R1.374 Cc1ccc(c(c1)SCC=O)F 62a_200015260668_100000736223 [0,2,0,0,0,0|2,0,0]=4 5320 B12R1.374 Cc1ccc(c(c1)SCC=O)N 62a_100011356834_200015260668 [0,2,0,0,0,0|2,0,0]=4 5321 B12R1.374 Cc1ccc(c(c1)SCC=O)N 62a_200015260668_100011356834 [0,2,0,0,0,0|2,0,0]=4 5322 B12R1.374 Cc1ccc(c(c1)SCC=O)O 62a_100000765521_200015260668 [0,2,0,0,0,0|2,0,0]=4 5323 B12R1.374 Cc1ccc(c(c1)SCC=O)O 62a_200015260668_100000765521 [0,2,0,0,0,0|2,0,0]=4 5324 B12R1.374 Cc1ccc(cc1CNCF)Cl 34a_100000717755_100015361967 [0,2,0,0,0,0|1,0,1]=4 5325 B12R1.374 Cc1ccc(cc1CNCF)F 34a_100011217291_100015361967 [0,2,0,0,0,0|1,0,1]=4 5326 B12R1.374 Cc1ccc(cc1CNCF)O 34a_200009844824_100015361967 [0,2,0,0,0,0|1,0,1]=4 5327 B12R1.374 Cc1ccc(cc1NCC=O)Br 34a_100000741167_200009817547 [0,2,0,0,0,0|2,0,0]=4 5328 B12R1.374 Cc1ccc(cc1NCC=O)Br 7a_100000741167_200015260668 [0,2,0,0,0,0|2,0,0]=4 5329 B12R1.374 Cc1ccc(cc1NCC=O)Cl 34a_100000211374_200009817547 [0,2,0,0,0,0|2,0,0]=4 5330 B12R1.374 Cc1ccc(cc1NCC=O)Cl 7a_100000211374_200015260668 [0,2,0,0,0,0|2,0,0]=4 5331 B12R1.374 Cc1ccc(cc1NCC=O)F 34a_100000211107_200009817547 [0,2,0,0,0,0|2,0,0]=4 5332 B12R1.374 Cc1ccc(cc1NCC=O)F 7a_100000211107_200015260668 [0,2,0,0,0,0|2,0,0]=4 5333 B12R1.374 Cc1ccc(cc1NCC=O)I 7a_100000761890_200015260668 [0,2,0,0,0,0|2,0,0]=4 5334 B12R1.374 Cc1ccc(cc1NCC=O)O 34a_100011216113_200009817547 [0,2,0,0,0,0|2,0,0]=4 5335 B12R1.374 Cc1ccc(cc1OCC=O)Br 34a_100000685420_200009817547 [0,2,0,0,0,0|2,0,0]=4 5336 B12R1.374 Cc1ccc(cc1OCC=O)Br 7a_100000685420_200015260668 [0,2,0,0,0,0|2,0,0]=4 5337 B12R1.374 Cc1ccc(cc1OCC=O)Cl 34a_100000756515_200009817547 [0,2,0,0,0,0|2,0,0]=4 5338 B12R1.374 Cc1ccc(cc1OCC=O)Cl 7a_100000756515_200015260668 [0,2,0,0,0,0|2,0,0]=4 5339 B12R1.374 Cc1ccc(cc1OCC=O)F 34a_100000690566_200009817547 [0,2,0,0,0,0|2,0,0]=4 5340 B12R1.374 Cc1ccc(cc1OCC=O)F 7a_100000690566_200015260668 [0,2,0,0,0,0|2,0,0]=4 5341 B12R1.374 Cc1ccc(cc1OCC=O)I 7a_100000766334_200015260668 [0,2,0,0,0,0|2,0,0]=4 5342 B12R1.374 Cc1ccc(cc1OCC=O)N 34a_100000759471_200009817547 [0,2,0,0,0,0|2,0,0]=4 5343 B12R1.374 Cc1ccc(cc1OCC=O)N 7a_100000759471_200015260668 [0,2,0,0,0,0|2,0,0]=4 5344 B12R1.374 Cc1ccc(cc1SCC=O)Br 62a_100011344865_200015260668 [0,2,0,0,0,0|2,0,0]=4 5345 B12R1.374 Cc1ccc(cc1SCC=O)Br 62a_200015260668_100011344865 [0,2,0,0,0,0|2,0,0]=4 5346 B12R1.374 Cc1ccc(cc1SCC=O)Cl 62a_100011263213_200015260668 [0,2,0,0,0,0|2,0,0]=4 5347 B12R1.374 Cc1ccc(cc1SCC=O)Cl 62a_200015260668_100011263213 [0,2,0,0,0,0|2,0,0]=4 5348 B12R1.374 Cc1ccc(cc1SCC=O)F 62a_100011218078_200015260668 [0,2,0,0,0,0|2,0,0]=4 5349 B12R1.374 Cc1ccc(cc1SCC=O)F 62a_200015260668_100011218078 [0,2,0,0,0,0|2,0,0]=4 5350 B12R1.374 Cc1ccc(cc1SCC=O)N 62a_100000736455_200015260668 [0,2,0,0,0,0|2,0,0]=4 5351 B12R1.374 Cc1ccc(cc1SCC=O)N 62a_200015260668_100000736455 [0,2,0,0,0,0|2,0,0]=4 5352 B12R1.374 Cc1ccc(cc1SCC=O)O 62a_100011380479_200015260668 [0,2,0,0,0,0|2,0,0]=4 5353 B12R1.374 Cc1ccc(cc1SCC=O)O 62a_200015260668_100011380479 [0,2,0,0,0,0|2,0,0]=4 5354 B12R1.374 FCNCc1cc(ccc1Br)Br 34a_100000707832_100015361967 [0,2,0,0,0,0|1,0,1]=4 5355 B12R1.374 FCNCc1cc(ccc1Br)F 34a_100000742738_100015361967 [0,2,0,0,0,0|1,0,1]=4 5356 B12R1.374 FCNCc1cc(ccc1Cl)Br 34a_100025772652_100015361967 [0,2,0,0,0,0|1,0,1]=4 5357 B12R1.374 FCNCc1cc(ccc1Cl)Cl 34a_100102946428_100015361967 [0,2,0,0,0,0|1,0,1]=4 5358 B12R1.374 FCNCc1cc(ccc1Cl)F 34a_100011830483_100015361967 [0,2,0,0,0,0|1,0,1]=4 5359 B12R1.374 FCNCc1cc(ccc1F)Br 34a_100009815772_100015361967 [0,2,0,0,0,0|1,0,1]=4 5360 B12R1.374 FCNCc1cc(ccc1F)Cl 34a_100011211646_100015361967 [0,2,0,0,0,0|1,0,1]=4 5361 B12R1.374 FCNCc1cc(ccc1F)F 34a_100000752317_100015361967 [0,2,0,0,0,0|1,0,1]=4 5362 B12R1.374 Nc1ccc(c(c1)OCC=O)Cl 34a_100011934209_200009817547 [0,2,0,0,0,0|2,0,0]=4 5363 B12R1.374 Nc1ccc(c(c1)OCC=O)F 34a_100012017398_200009817547 [0,2,0,0,0,0|2,0,0]=4 5364 B12R1.374 Nc1ccc(c(c1)OCC=O)F 7a_100012017398_200015260668 [0,2,0,0,0,0|2,0,0]=4 5365 B12R1.374 Nc1ccc(c(c1)OCC=O)N 34a_100025717382_200009817547 [0,2,0,0,0,0|2,0,0]=4 5366 B12R1.374 Nc1ccc(c(c1)SCC=O)Br 62a_100000750459_200015260668 [0,2,0,0,0,0|2,0,0]=4 5367 B12R1.374 Nc1ccc(c(c1)SCC=O)Br 62a_200015260668_100000750459 [0,2,0,0,0,0|2,0,0]=4 5368 B12R1.374 Nc1ccc(c(c1)SCC=O)Cl 62a_100012360549_200015260668 [0,2,0,0,0,0|2,0,0]=4 5369 B12R1.374 Nc1ccc(c(c1)SCC=O)Cl 62a_200015260668_100012360549 [0,2,0,0,0,0|2,0,0]=4 5370 B12R1.374 Nc1ccc(c(c1)SCC=O)F 62a_100000760356_200015260668 [0,2,0,0,0,0|2,0,0]=4 5371 B12R1.374 Nc1ccc(c(c1)SCC=O)F 62a_200015260668_100000760356 [0,2,0,0,0,0|2,0,0]=4 5372 B12R1.374 Nc1ccc(c(c1)SCC=O)N 62a_100011534242_200015260668 [0,2,0,0,0,0|2,0,0]=4 5373 B12R1.374 Nc1ccc(c(c1)SCC=O)N 62a_200015260668_100011534242 [0,2,0,0,0,0|2,0,0]=4 5374 B12R1.374 Nc1ccc(c(c1)SCC=O)O 62a_100011534360_200015260668 [0,2,0,0,0,0|2,0,0]=4 5375 B12R1.374 Nc1ccc(c(c1)SCC=O)O 62a_200015260668_100011534360 [0,2,0,0,0,0|2,0,0]=4 5376 B12R1.374 Nc1ccc(cc1OCC=O)Br 34a_100000739049_200009817547 [0,2,0,0,0,0|2,0,0]=4 5377 B12R1.374 Nc1ccc(cc1OCC=O)Br 7a_100000739049_200015260668 [0,2,0,0,0,0|2,0,0]=4 5378 B12R1.374 Nc1ccc(cc1OCC=O)Cl 34a_100000185728_200009817547 [0,2,0,0,0,0|2,0,0]=4 5379 B12R1.374 Nc1ccc(cc1OCC=O)Cl 7a_100000185728_200015260668 [0,2,0,0,0,0|2,0,0]=4 5380 B12R1.374 Nc1ccc(cc1OCC=O)F 34a_100000753323_200009817547 [0,2,0,0,0,0|2,0,0]=4 5381 B12R1.374 Nc1ccc(cc1OCC=O)F 7a_100000753323_200015260668 [0,2,0,0,0,0|2,0,0]=4 5382 B12R1.374 Nc1ccc(cc1OCC=O)I 34a_100000057187_200009817547 [0,2,0,0,0,0|2,0,0]=4 5383 B12R1.374 Nc1ccc(cc1OCC=O)I 7a_100000057187_200015260668 [0,2,0,0,0,0|2,0,0]=4 5384 B12R1.374 Nc1ccc(cc1SCC=O)Br 62a_100000187925_200015260668 [0,2,0,0,0,0|2,0,0]=4 5385 B12R1.374 Nc1ccc(cc1SCC=O)Br 62a_200015260668_100000187925 [0,2,0,0,0,0|2,0,0]=4 5386 B12R1.374 Nc1ccc(cc1SCC=O)Cl 62a_100000761889_200015260668 [0,2,0,0,0,0|2,0,0]=4 5387 B12R1.374 Nc1ccc(cc1SCC=O)Cl 62a_200015260668_100000761889 [0,2,0,0,0,0|2,0,0]=4 5388 B12R1.374 Nc1ccc(cc1SCC=O)F 62a_100000760547_200015260668 [0,2,0,0,0,0|2,0,0]=4 5389 B12R1.374 Nc1ccc(cc1SCC=O)F 62a_200015260668_100000760547 [0,2,0,0,0,0|2,0,0]=4 5390 B12R1.374 Nc1ccc(cc1SCC=O)O 62a_100012001276_200015260668 [0,2,0,0,0,0|2,0,0]=4 5391 B12R1.374 Nc1ccc(cc1SCC=O)O 62a_200015260668_100012001276 [0,2,0,0,0,0|2,0,0]=4 5392 B12R1.374 O=CCNc1cc(ccc1Br)Br 34a_100000737762_200009817547 [0,2,0,0,0,0|2,0,0]=4 5393 B12R1.374 O=CCNc1cc(ccc1Br)Cl 34a_100000687073_200009817547 [0,2,0,0,0,0|2,0,0]=4 5394 B12R1.374 O=CCNc1cc(ccc1Br)F 34a_100000687223_200009817547 [0,2,0,0,0,0|2,0,0]=4 5395 B12R1.374 O=CCNc1cc(ccc1Br)O 34a_100011999798_200009817547 [0,2,0,0,0,0|2,0,0]=4 5396 B12R1.374 O=CCNc1cc(ccc1Cl)Br 34a_100000750497_200009817547 [0,2,0,0,0,0|2,0,0]=4 5397 B12R1.374 O=CCNc1cc(ccc1Cl)Cl 34a_100000184485_200009817547 [0,2,0,0,0,0|2,0,0]=4 5398 B12R1.374 O=CCNc1cc(ccc1Cl)F 34a_100000751338_200009817547 [0,2,0,0,0,0|2,0,0]=4 5399 B12R1.374 O=CCNc1cc(ccc1Cl)I 34a_200000761891_200009817547 [0,2,0,0,0,0|2,0,0]=4 5400 B12R1.374 O=CCNc1cc(ccc1Cl)O 34a_100011934297_200009817547 [0,2,0,0,0,0|2,0,0]=4 5401 B12R1.374 O=CCNc1cc(ccc1F)Br 34a_100000740924_200009817547 [0,2,0,0,0,0|2,0,0]=4 5402 B12R1.374 O=CCNc1cc(ccc1F)Cl 34a_100000212115_200009817547 [0,2,0,0,0,0|2,0,0]=4 5403 B12R1.374 O=CCNc1cc(ccc1F)F 34a_100000210742_200009817547 [0,2,0,0,0,0|2,0,0]=4 5404 B12R1.374 O=CCNc1cc(ccc1F)I 34a_100011464823_200009817547 [0,2,0,0,0,0|2,0,0]=4 5405 B12R1.374 O=CCNc1cc(ccc1F)O 34a_100012017239_200009817547 [0,2,0,0,0,0|2,0,0]=4 5406 B12R1.374 O=CCNc1cc(ccc1I)Br 34a_100000743836_200009817547 [0,2,0,0,0,0|2,0,0]=4 5407 B12R1.374 O=CCNc1cc(ccc1I)Cl 34a_100000761886_200009817547 [0,2,0,0,0,0|2,0,0]=4 5408 B12R1.374 O=CCNc1cc(ccc1I)F 34a_100011218093_200009817547 [0,2,0,0,0,0|2,0,0]=4 5409 B12R1.374 O=CCNc1cc(ccc1O)Br 34a_100000752626_200009817547 [0,2,0,0,0,0|2,0,0]=4 5410 B12R1.374 O=CCNc1cc(ccc1O)Cl 34a_100000210500_200009817547 [0,2,0,0,0,0|2,0,0]=4 5411 B12R1.374 O=CCNc1cc(ccc1O)F 34a_100000759472_200009817547 [0,2,0,0,0,0|2,0,0]=4 5412 B12R1.374 O=CCOc1cc(ccc1Br)Br 34a_100011220040_200009817547 [0,2,0,0,0,0|2,0,0]=4 5413 B12R1.374 O=CCOc1cc(ccc1Br)Br 7a_100011220040_200015260668 [0,2,0,0,0,0|2,0,0]=4 5414 B12R1.374 O=CCOc1cc(ccc1Br)Cl 34a_100012339455_200009817547 [0,2,0,0,0,0|2,0,0]=4 5415 B12R1.374 O=CCOc1cc(ccc1Br)Cl 7a_100012339455_200015260668 [0,2,0,0,0,0|2,0,0]=4 5416 B12R1.374 O=CCOc1cc(ccc1Br)F 34a_100000690578_200009817547 [0,2,0,0,0,0|2,0,0]=4 5417 B12R1.374 O=CCOc1cc(ccc1Br)F 7a_100000690578_200015260668 [0,2,0,0,0,0|2,0,0]=4 5418 B12R1.374 O=CCOc1cc(ccc1Br)I 34a_100012356990_200009817547 [0,2,0,0,0,0|2,0,0]=4 5419 B12R1.374 O=CCOc1cc(ccc1Br)I 7a_100012356990_200015260668 [0,2,0,0,0,0|2,0,0]=4 5420 B12R1.374 O=CCOc1cc(ccc1Cl)Br 34a_100000738945_200009817547 [0,2,0,0,0,0|2,0,0]=4 5421 B12R1.374 O=CCOc1cc(ccc1Cl)Br 7a_100000738945_200015260668 [0,2,0,0,0,0|2,0,0]=4 5422 B12R1.374 O=CCOc1cc(ccc1Cl)Cl 34a_100000211422_200009817547 [0,2,0,0,0,0|2,0,0]=4 5423 B12R1.374 O=CCOc1cc(ccc1Cl)Cl 7a_100000211422_200015260668 [0,2,0,0,0,0|2,0,0]=4 5424 B12R1.374 O=CCOc1cc(ccc1Cl)F 34a_100000692107_200009817547 [0,2,0,0,0,0|2,0,0]=4 5425 B12R1.374 O=CCOc1cc(ccc1Cl)F 7a_100000692107_200015260668 [0,2,0,0,0,0|2,0,0]=4 5426 B12R1.374 O=CCOc1cc(ccc1Cl)I 34a_100011356854_200009817547 [0,2,0,0,0,0|2,0,0]=4 5427 B12R1.374 O=CCOc1cc(ccc1Cl)I 7a_100011356854_200015260668 [0,2,0,0,0,0|2,0,0]=4 5428 B12R1.374 O=CCOc1cc(ccc1F)Br 34a_100000686035_200009817547 [0,2,0,0,0,0|2,0,0]=4 5429 B12R1.374 O=CCOc1cc(ccc1F)Br 7a_100000686035_200015260668 [0,2,0,0,0,0|2,0,0]=4 5430 B12R1.374 O=CCOc1cc(ccc1F)Cl 34a_100000757397_200009817547 [0,2,0,0,0,0|2,0,0]=4 5431 B12R1.374 O=CCOc1cc(ccc1F)Cl 7a_100000757397_200015260668 [0,2,0,0,0,0|2,0,0]=4 5432 B12R1.374 O=CCOc1cc(ccc1F)F 34a_100000752141_200009817547 [0,2,0,0,0,0|2,0,0]=4 5433 B12R1.374 O=CCOc1cc(ccc1F)F 7a_100000752141_200015260668 [0,2,0,0,0,0|2,0,0]=4 5434 B12R1.374 O=CCOc1cc(ccc1F)I 34a_100009958187_200009817547 [0,2,0,0,0,0|2,0,0]=4 5435 B12R1.374 O=CCOc1cc(ccc1F)I 7a_100009958187_200015260668 [0,2,0,0,0,0|2,0,0]=4 5436 B12R1.374 O=CCOc1cc(ccc1I)Br 34a_100012344904_200009817547 [0,2,0,0,0,0|2,0,0]=4 5437 B12R1.374 O=CCOc1cc(ccc1I)Br 7a_100012344904_200015260668 [0,2,0,0,0,0|2,0,0]=4 5438 B12R1.374 O=CCOc1cc(ccc1I)Cl 34a_100000050036_200009817547 [0,2,0,0,0,0|2,0,0]=4 5439 B12R1.374 O=CCOc1cc(ccc1I)Cl 7a_100000050036_200015260668 [0,2,0,0,0,0|2,0,0]=4 5440 B12R1.374 O=CCOc1cc(ccc1I)F 34a_100010084537_200009817547 [0,2,0,0,0,0|2,0,0]=4 5441 B12R1.374 O=CCOc1cc(ccc1I)F 7a_100010084537_200015260668 [0,2,0,0,0,0|2,0,0]=4 5442 B12R1.374 O=CCSc1cc(ccc1Br)Br 62a_100011483371_200015260668 [0,2,0,0,0,0|2,0,0]=4 5443 B12R1.374 O=CCSc1cc(ccc1Br)Br 62a_200015260668_100011483371 [0,2,0,0,0,0|2,0,0]=4 5444 B12R1.374 O=CCSc1cc(ccc1Br)Cl 62a_100012339723_200015260668 [0,2,0,0,0,0|2,0,0]=4 5445 B12R1.374 O=CCSc1cc(ccc1Br)Cl 62a_200015260668_100012339723 [0,2,0,0,0,0|2,0,0]=4 5446 B12R1.374 O=CCSc1cc(ccc1Br)F 62a_100011217576_200015260668 [0,2,0,0,0,0|2,0,0]=4 5447 B12R1.374 O=CCSc1cc(ccc1Br)F 62a_200015260668_100011217576 [0,2,0,0,0,0|2,0,0]=4 5448 B12R1.374 O=CCSc1cc(ccc1Br)O 62a_100012339312_200015260668 [0,2,0,0,0,0|2,0,0]=4 5449 B12R1.374 O=CCSc1cc(ccc1Br)O 62a_200015260668_100012339312 [0,2,0,0,0,0|2,0,0]=4 5450 B12R1.374 O=CCSc1cc(ccc1Cl)Br 62a_100011772130_200015260668 [0,2,0,0,0,0|2,0,0]=4 5451 B12R1.374 O=CCSc1cc(ccc1Cl)Br 62a_200015260668_100011772130 [0,2,0,0,0,0|2,0,0]=4 5452 B12R1.374 O=CCSc1cc(ccc1Cl)Cl 62a_100000707729_200015260668 [0,2,0,0,0,0|2,0,0]=4 5453 B12R1.374 O=CCSc1cc(ccc1Cl)Cl 62a_200015260668_100000707729 [0,2,0,0,0,0|2,0,0]=4 5454 B12R1.374 O=CCSc1cc(ccc1Cl)F 62a_100011217299_200015260668 [0,2,0,0,0,0|2,0,0]=4 5455 B12R1.374 O=CCSc1cc(ccc1Cl)F 62a_200015260668_100011217299 [0,2,0,0,0,0|2,0,0]=4 5456 B12R1.374 O=CCSc1cc(ccc1Cl)O 62a_100000049588_200015260668 [0,2,0,0,0,0|2,0,0]=4 5457 B12R1.374 O=CCSc1cc(ccc1Cl)O 62a_200015260668_100000049588 [0,2,0,0,0,0|2,0,0]=4 5458 B12R1.374 O=CCSc1cc(ccc1F)Br 62a_100011217312_200015260668 [0,2,0,0,0,0|2,0,0]=4 5459 B12R1.374 O=CCSc1cc(ccc1F)Br 62a_200015260668_100011217312 [0,2,0,0,0,0|2,0,0]=4 5460 B12R1.374 O=CCSc1cc(ccc1F)Cl 62a_100011218116_200015260668 [0,2,0,0,0,0|2,0,0]=4 5461 B12R1.374 O=CCSc1cc(ccc1F)Cl 62a_200015260668_100011218116 [0,2,0,0,0,0|2,0,0]=4 5462 B12R1.374 O=CCSc1cc(ccc1F)F 62a_100011219198_200015260668 [0,2,0,0,0,0|2,0,0]=4 5463 B12R1.374 O=CCSc1cc(ccc1F)F 62a_200015260668_100011219198 [0,2,0,0,0,0|2,0,0]=4 5464 B12R1.374 O=CCSc1cc(ccc1F)O 62a_100000693481_200015260668 [0,2,0,0,0,0|2,0,0]=4 5465 B12R1.374 O=CCSc1cc(ccc1F)O 62a_200015260668_100000693481 [0,2,0,0,0,0|2,0,0]=4 5466 B12R1.374 O=CCSc1cc(ccc1O)Br 62a_100012355227_200015260668 [0,2,0,0,0,0|2,0,0]=4 5467 B12R1.374 O=CCSc1cc(ccc1O)Br 62a_200015260668_100012355227 [0,2,0,0,0,0|2,0,0]=4 5468 B12R1.374 O=CCSc1cc(ccc1O)Cl 62a_100011356953_200015260668 [0,2,0,0,0,0|2,0,0]=4 5469 B12R1.374 O=CCSc1cc(ccc1O)Cl 62a_200015260668_100011356953 [0,2,0,0,0,0|2,0,0]=4 5470 B12R1.374 O=CCSc1cc(ccc1O)F 62a_100000211999_200015260668 [0,2,0,0,0,0|2,0,0]=4 5471 B12R1.374 O=CCSc1cc(ccc1O)F 62a_200015260668_100000211999 [0,2,0,0,0,0|2,0,0]=4 5472 B12R1.374 O=CCSc1cc(ccc1O)O 62a_200015260668_100009813629 [0,2,0,0,0,0|2,0,0]=4 5473 B12R1.374 Oc1ccc(cc1CNCF)Br 34a_100000730032_100015361967 [0,2,0,0,0,0|1,0,1]=4 5474 B12R1.374 Oc1ccc(cc1CNCF)Cl 34a_100000238540_100015361967 [0,2,0,0,0,0|1,0,1]=4 5475 B12R1.1631 CCNCc1c(cccc1Br)Br 207a_100015525214_100010233043 [0,2,0,0,0,0|1,0,1]=4 5476 B12R1.1631 CCNCc1c(cccc1Br)Br 270004a_100015525214_100010233043 [0,2,0,0,0,0|1,0,1]=4 5477 B12R1.1631 CCNCc1c(cccc1Br)C 207a_100015525214_100009881667 [0,2,0,0,0,0|1,0,1]=4 5478 B12R1.1631 CCNCc1c(cccc1Br)C 2230a_100015525214_100010146847 [0,2,0,0,0,0|1,0,1]=4 5479 B12R1.1631 CCNCc1c(cccc1Br)C 270004a_100015525214_100009881667 [0,2,0,0,0,0|1,0,1]=4 5480 B12R1.1631 CCNCc1c(cccc1Br)Cl 207a_100015525214_100011249081 [0,2,0,0,0,0|1,0,1]=4 5481 B12R1.1631 CCNCc1c(cccc1Br)Cl 2230a_100015525214_100010138402 [0,2,0,0,0,0|1,0,1]=4 5482 B12R1.1631 CCNCc1c(cccc1Br)Cl 270004a_100015525214_100011249081 [0,2,0,0,0,0|1,0,1]=4 5483 B12R1.1631 CCNCc1c(cccc1Br)F 207a_100015525214_100000752695 [0,2,0,0,0,0|1,0,1]=4 5484 B12R1.1631 CCNCc1c(cccc1Br)F 2230a_100015525214_100012145669 [0,2,0,0,0,0|1,0,1]=4 5485 B12R1.1631 CCNCc1c(cccc1Br)F 270004a_100015525214_100000752695 [0,2,0,0,0,0|1,0,1]=4 5486 B12R1.1631 CCNCc1c(cccc1Br)F 34a_100012349121_100000210202 [0,2,0,0,0,0|1,0,1]=4 5487 B12R1.1631 CCNCc1c(cccc1C)C 207a_100015525214_100000758299 [0,2,0,0,0,0|1,0,1]=4 5488 B12R1.1631 CCNCc1c(cccc1C)C 2230a_100015525214_100000758300 [0,2,0,0,0,0|1,0,1]=4 5489 B12R1.1631 CCNCc1c(cccc1C)C 270004a_100015525214_100000758299 [0,2,0,0,0,0|1,0,1]=4 5490 B12R1.1631 CCNCc1c(cccc1C)C 34a_100000689800_100000210202 [0,2,0,0,0,0|1,0,1]=4 5491 B12R1.1631 CCNCc1c(cccc1Cl)C 207a_100015525214_100000041122 [0,2,0,0,0,0|1,0,1]=4 5492 B12R1.1631 CCNCc1c(cccc1Cl)C 270004a_100015525214_100000041122 [0,2,0,0,0,0|1,0,1]=4 5493 B12R1.1631 CCNCc1c(cccc1Cl)Cl 207a_100015525214_100000189306 [0,2,0,0,0,0|1,0,1]=4 5494 B12R1.1631 CCNCc1c(cccc1Cl)Cl 2230a_100000174884_100000210202 [0,2,0,0,0,0|1,0,1]=4 5495 B12R1.1631 CCNCc1c(cccc1Cl)Cl 2230a_100015525214_100000187851 [0,2,0,0,0,0|1,0,1]=4 5496 B12R1.1631 CCNCc1c(cccc1Cl)Cl 270004a_100015525214_100000189306 [0,2,0,0,0,0|1,0,1]=4 5497 B12R1.1631 CCNCc1c(cccc1Cl)Cl 34a_100000174884_100000210202 [0,2,0,0,0,0|1,0,1]=4 5498 B12R1.1631 CCNCc1c(cccc1Cl)F 207a_100015525214_100000210083 [0,2,0,0,0,0|1,0,1]=4 5499 B12R1.1631 CCNCc1c(cccc1Cl)F 2230a_100015525214_100000187852 [0,2,0,0,0,0|1,0,1]=4 5500 B12R1.1631 CCNCc1c(cccc1Cl)F 270004a_100015525214_100000210083 [0,2,0,0,0,0|1,0,1]=4 5501 B12R1.1631 CCNCc1c(cccc1Cl)F 34a_100000174883_100000210202 [0,2,0,0,0,0|1,0,1]=4 5502 B12R1.1631 CCNCc1c(cccc1F)C 207a_100015525214_100000069827 [0,2,0,0,0,0|1,0,1]=4 5503 B12R1.1631 CCNCc1c(cccc1F)C 2230a_100015525214_100009814554 [0,2,0,0,0,0|1,0,1]=4 5504 B12R1.1631 CCNCc1c(cccc1F)C 270004a_100015525214_100000069827 [0,2,0,0,0,0|1,0,1]=4 5505 B12R1.1631 CCNCc1c(cccc1F)C 34a_100000762012_100000210202 [0,2,0,0,0,0|1,0,1]=4 5506 B12R1.1631 CCNCc1c(cccc1F)F 207a_100015525214_100000211061 [0,2,0,0,0,0|1,0,1]=4 5507 B12R1.1631 CCNCc1c(cccc1F)F 2230a_100015525214_100000698325 [0,2,0,0,0,0|1,0,1]=4 5508 B12R1.1631 CCNCc1c(cccc1F)F 270004a_100015525214_100000211061 [0,2,0,0,0,0|1,0,1]=4 5509 B12R1.1631 CCNCc1c(cccc1F)F 34a_100000688400_100000210202 [0,2,0,0,0,0|1,0,1]=4 5510 B12R1.1631 CCNCc1c(cccc1I)Br 2230a_100015525214_100010146611 [0,2,0,0,0,0|1,0,1]=4 5511 B12R1.1631 CCNCc1c(cccc1I)C 2230a_100015525214_100010150146 [0,2,0,0,0,0|1,0,1]=4 5512 B12R1.1631 CCNCc1c(cccc1I)Cl 207a_100015525214_100010147682 [0,2,0,0,0,0|1,0,1]=4 5513 B12R1.1631 CCNCc1c(cccc1I)Cl 270004a_100015525214_100010147682 [0,2,0,0,0,0|1,0,1]=4 5514 B12R1.1631 CCNCc1c(cccc1I)F 207a_100015525214_100010178011 [0,2,0,0,0,0|1,0,1]=4 5515 B12R1.1631 CCNCc1c(cccc1I)F 2230a_100015525214_100010149602 [0,2,0,0,0,0|1,0,1]=4 5516 B12R1.1631 CCNCc1c(cccc1I)F 270004a_100015525214_100010178011 [0,2,0,0,0,0|1,0,1]=4 5517 B12R1.1631 Cc1cccc(c1CNCF)C 34a_100000689800_100015361967 [0,2,0,0,0,0|1,0,1]=4 5518 B12R1.1631 Cc1cccc(c1CNCF)F 34a_100000762012_100015361967 [0,2,0,0,0,0|1,0,1]=4 5519 B12R1.1631 Cc1cccc(c1NCC=O)Br 34a_100011834072_200009817547 [0,2,0,0,0,0|2,0,0]=4 5520 B12R1.1631 Cc1cccc(c1NCC=O)C 34a_100000185769_200009817547 [0,2,0,0,0,0|2,0,0]=4 5521 B12R1.1631 Cc1cccc(c1NCC=O)Cl 34a_100000756524_200009817547 [0,2,0,0,0,0|2,0,0]=4 5522 B12R1.1631 Cc1cccc(c1NCC=O)F 34a_100000766463_200009817547 [0,2,0,0,0,0|2,0,0]=4 5523 B12R1.1631 Cc1cccc(c1NCC=O)O 34a_100000743429_200009817547 [0,2,0,0,0,0|2,0,0]=4 5524 B12R1.1631 Cc1cccc(c1OCC=O)Br 34a_100009817157_200009817547 [0,2,0,0,0,0|2,0,0]=4 5525 B12R1.1631 Cc1cccc(c1OCC=O)Br 7a_100009817157_200015260668 [0,2,0,0,0,0|2,0,0]=4 5526 B12R1.1631 Cc1cccc(c1OCC=O)C 34a_100000210341_200009817547 [0,2,0,0,0,0|2,0,0]=4 5527 B12R1.1631 Cc1cccc(c1OCC=O)C 7a_100000210341_200015260668 [0,2,0,0,0,0|2,0,0]=4 5528 B12R1.1631 Cc1cccc(c1OCC=O)Cl 34a_100000033731_200009817547 [0,2,0,0,0,0|2,0,0]=4 5529 B12R1.1631 Cc1cccc(c1OCC=O)Cl 7a_100000033731_200015260668 [0,2,0,0,0,0|2,0,0]=4 5530 B12R1.1631 Cc1cccc(c1OCC=O)F 34a_100011659162_200009817547 [0,2,0,0,0,0|2,0,0]=4 5531 B12R1.1631 Cc1cccc(c1OCC=O)F 7a_100011659162_200015260668 [0,2,0,0,0,0|2,0,0]=4 5532 B12R1.1631 Cc1cccc(c1OCC=O)N 34a_100000756359_200009817547 [0,2,0,0,0,0|2,0,0]=4 5533 B12R1.1631 Cc1cccc(c1OCC=O)N 7a_100000756359_200015260668 [0,2,0,0,0,0|2,0,0]=4 5534 B12R1.1631 Cc1cccc(c1SCC=O)Br 62a_100010141302_200015260668 [0,2,0,0,0,0|2,0,0]=4 5535 B12R1.1631 Cc1cccc(c1SCC=O)Br 62a_200015260668_100010141302 [0,2,0,0,0,0|2,0,0]=4 5536 B12R1.1631 Cc1cccc(c1SCC=O)C 62a_100000033847_200015260668 [0,2,0,0,0,0|2,0,0]=4 5537 B12R1.1631 Cc1cccc(c1SCC=O)C 62a_200015260668_100000033847 [0,2,0,0,0,0|2,0,0]=4 5538 B12R1.1631 Cc1cccc(c1SCC=O)Cl 62a_100000043165_200015260668 [0,2,0,0,0,0|2,0,0]=4 5539 B12R1.1631 Cc1cccc(c1SCC=O)Cl 62a_200015260668_100000043165 [0,2,0,0,0,0|2,0,0]=4 5540 B12R1.1631 Cc1cccc(c1SCC=O)F 62a_100011218421_200015260668 [0,2,0,0,0,0|2,0,0]=4 5541 B12R1.1631 Cc1cccc(c1SCC=O)F 62a_200015260668_100011218421 [0,2,0,0,0,0|2,0,0]=4 5542 B12R1.1631 Cc1cccc(c1SCC=O)N 62a_100000684715_200015260668 [0,2,0,0,0,0|2,0,0]=4 5543 B12R1.1631 Cc1cccc(c1SCC=O)N 62a_200015260668_100000684715 [0,2,0,0,0,0|2,0,0]=4 5544 B12R1.1631 Cc1cccc(c1SCC=O)O 62a_100000686692_200015260668 [0,2,0,0,0,0|2,0,0]=4 5545 B12R1.1631 Cc1cccc(c1SCC=O)O 62a_200015260668_100000686692 [0,2,0,0,0,0|2,0,0]=4 5546 B12R1.1631 FCNCc1c(cccc1Br)F 34a_100012349121_100015361967 [0,2,0,0,0,0|1,0,1]=4 5547 B12R1.1631 FCNCc1c(cccc1Cl)Cl 34a_100000174884_100015361967 [0,2,0,0,0,0|1,0,1]=4 5548 B12R1.1631 FCNCc1c(cccc1Cl)F 34a_100000174883_100015361967 [0,2,0,0,0,0|1,0,1]=4 5549 B12R1.1631 FCNCc1c(cccc1F)F 34a_100000688400_100015361967 [0,2,0,0,0,0|1,0,1]=4 5550 B12R1.1631 Nc1cccc(c1OCC=O)Br 34a_100011934915_200009817547 [0,2,0,0,0,0|2,0,0]=4 5551 B12R1.1631 Nc1cccc(c1OCC=O)Cl 34a_100000754742_200009817547 [0,2,0,0,0,0|2,0,0]=4 5552 B12R1.1631 Nc1cccc(c1OCC=O)F 34a_100011934987_200009817547 [0,2,0,0,0,0|2,0,0]=4 5553 B12R1.1631 Nc1cccc(c1OCC=O)I 34a_100010084371_200009817547 [0,2,0,0,0,0|2,0,0]=4 5554 B12R1.1631 Nc1cccc(c1OCC=O)N 34a_200016994477_200009817547 [0,2,0,0,0,0|2,0,0]=4 5555 B12R1.1631 Nc1cccc(c1SCC=O)Br 62a_100020590159_200015260668 [0,2,0,0,0,0|2,0,0]=4 5556 B12R1.1631 Nc1cccc(c1SCC=O)Br 62a_200015260668_100020590159 [0,2,0,0,0,0|2,0,0]=4 5557 B12R1.1631 Nc1cccc(c1SCC=O)Cl 62a_100000049713_200015260668 [0,2,0,0,0,0|2,0,0]=4 5558 B12R1.1631 Nc1cccc(c1SCC=O)Cl 62a_200015260668_100000049713 [0,2,0,0,0,0|2,0,0]=4 5559 B12R1.1631 Nc1cccc(c1SCC=O)F 62a_100000690935_200015260668 [0,2,0,0,0,0|2,0,0]=4 5560 B12R1.1631 Nc1cccc(c1SCC=O)F 62a_200015260668_100000690935 [0,2,0,0,0,0|2,0,0]=4 5561 B12R1.1631 Nc1cccc(c1SCC=O)O 62a_100012183704_200015260668 [0,2,0,0,0,0|2,0,0]=4 5562 B12R1.1631 Nc1cccc(c1SCC=O)O 62a_200015260668_100012183704 [0,2,0,0,0,0|2,0,0]=4 5563 B12R1.1631 O=CCNc1c(cccc1Br)Br 34a_100000690995_200009817547 [0,2,0,0,0,0|2,0,0]=4 5564 B12R1.1631 O=CCNc1c(cccc1Br)Cl 34a_100102946385_200009817547 [0,2,0,0,0,0|2,0,0]=4 5565 B12R1.1631 O=CCNc1c(cccc1Br)F 34a_100000684712_200009817547 [0,2,0,0,0,0|2,0,0]=4 5566 B12R1.1631 O=CCNc1c(cccc1Br)O 34a_100011934926_200009817547 [0,2,0,0,0,0|2,0,0]=4 5567 B12R1.1631 O=CCNc1c(cccc1Cl)Cl 34a_100000210028_200009817547 [0,2,0,0,0,0|2,0,0]=4 5568 B12R1.1631 O=CCNc1c(cccc1Cl)F 34a_100000760031_200009817547 [0,2,0,0,0,0|2,0,0]=4 5569 B12R1.1631 O=CCNc1c(cccc1Cl)O 34a_100012022510_200009817547 [0,2,0,0,0,0|2,0,0]=4 5570 B12R1.1631 O=CCNc1c(cccc1F)F 2230a_100000210704_200015260668 [0,2,0,0,0,0|2,0,0]=4 5571 B12R1.1631 O=CCNc1c(cccc1F)F 34a_100000210704_200009817547 [0,2,0,0,0,0|2,0,0]=4 5572 B12R1.1631 O=CCNc1c(cccc1F)O 34a_100020591140_200009817547 [0,2,0,0,0,0|2,0,0]=4 5573 B12R1.1631 O=CCNc1c(cccc1I)F 34a_100000042321_200009817547 [0,2,0,0,0,0|2,0,0]=4 5574 B12R1.1631 O=CCOc1c(cccc1Br)Br 34a_100000736428_200009817547 [0,2,0,0,0,0|2,0,0]=4 5575 B12R1.1631 O=CCOc1c(cccc1Br)Br 7a_100000736428_200015260668 [0,2,0,0,0,0|2,0,0]=4 5576 B12R1.1631 O=CCOc1c(cccc1Br)Cl 34a_100010214474_200009817547 [0,2,0,0,0,0|2,0,0]=4 5577 B12R1.1631 O=CCOc1c(cccc1Br)Cl 7a_100010214474_200015260668 [0,2,0,0,0,0|2,0,0]=4 5578 B12R1.1631 O=CCOc1c(cccc1Br)F 34a_100009813666_200009817547 [0,2,0,0,0,0|2,0,0]=4 5579 B12R1.1631 O=CCOc1c(cccc1Br)F 7a_100009813666_200015260668 [0,2,0,0,0,0|2,0,0]=4 5580 B12R1.1631 O=CCOc1c(cccc1Cl)Cl 34a_100000211709_200009817547 [0,2,0,0,0,0|2,0,0]=4 5581 B12R1.1631 O=CCOc1c(cccc1Cl)Cl 7a_100000211709_200015260668 [0,2,0,0,0,0|2,0,0]=4 5582 B12R1.1631 O=CCOc1c(cccc1Cl)F 34a_100000694953_200009817547 [0,2,0,0,0,0|2,0,0]=4 5583 B12R1.1631 O=CCOc1c(cccc1Cl)F 7a_100000694953_200015260668 [0,2,0,0,0,0|2,0,0]=4 5584 B12R1.1631 O=CCOc1c(cccc1F)F 34a_100000230165_200009817547 [0,2,0,0,0,0|2,0,0]=4 5585 B12R1.1631 O=CCOc1c(cccc1F)F 7a_100000230165_200015260668 [0,2,0,0,0,0|2,0,0]=4 5586 B12R1.1631 O=CCOc1c(cccc1I)Br 34a_100010084509_200009817547 [0,2,0,0,0,0|2,0,0]=4 5587 B12R1.1631 O=CCOc1c(cccc1I)Br 7a_100010084509_200015260668 [0,2,0,0,0,0|2,0,0]=4 5588 B12R1.1631 O=CCOc1c(cccc1I)Cl 34a_100010202889_200009817547 [0,2,0,0,0,0|2,0,0]=4 5589 B12R1.1631 O=CCOc1c(cccc1I)Cl 7a_100010202889_200015260668 [0,2,0,0,0,0|2,0,0]=4 5590 B12R1.1631 O=CCOc1c(cccc1I)F 34a_100010186298_200009817547 [0,2,0,0,0,0|2,0,0]=4 5591 B12R1.1631 O=CCOc1c(cccc1I)F 7a_100010186298_200015260668 [0,2,0,0,0,0|2,0,0]=4 5592 B12R1.1631 O=CCSc1c(cccc1Br)Br 62a_100009994525_200015260668 [0,2,0,0,0,0|2,0,0]=4 5593 B12R1.1631 O=CCSc1c(cccc1Br)Br 62a_200015260668_100009994525 [0,2,0,0,0,0|2,0,0]=4 5594 B12R1.1631 O=CCSc1c(cccc1Br)Cl 62a_100010214488_200015260668 [0,2,0,0,0,0|2,0,0]=4 5595 B12R1.1631 O=CCSc1c(cccc1Br)Cl 62a_200015260668_100010214488 [0,2,0,0,0,0|2,0,0]=4 5596 B12R1.1631 O=CCSc1c(cccc1Br)F 62a_100011219512_200015260668 [0,2,0,0,0,0|2,0,0]=4 5597 B12R1.1631 O=CCSc1c(cccc1Br)F 62a_200015260668_100011219512 [0,2,0,0,0,0|2,0,0]=4 5598 B12R1.1631 O=CCSc1c(cccc1Br)O 62a_100010187912_200015260668 [0,2,0,0,0,0|2,0,0]=4 5599 B12R1.1631 O=CCSc1c(cccc1Br)O 62a_200015260668_100010187912 [0,2,0,0,0,0|2,0,0]=4 5600 B12R1.1631 O=CCSc1c(cccc1Cl)Cl 62a_100000034237_200015260668 [0,2,0,0,0,0|2,0,0]=4 5601 B12R1.1631 O=CCSc1c(cccc1Cl)Cl 62a_200015260668_100000034237 [0,2,0,0,0,0|2,0,0]=4 5602 B12R1.1631 O=CCSc1c(cccc1Cl)F 62a_100000050007_200015260668 [0,2,0,0,0,0|2,0,0]=4 5603 B12R1.1631 O=CCSc1c(cccc1Cl)F 62a_200015260668_100000050007 [0,2,0,0,0,0|2,0,0]=4 5604 B12R1.1631 O=CCSc1c(cccc1Cl)O 62a_200015260668_100000050174 [0,2,0,0,0,0|2,0,0]=4 5605 B12R1.1631 O=CCSc1c(cccc1F)F 62a_100000693133_200015260668 [0,2,0,0,0,0|2,0,0]=4 5606 B12R1.1631 O=CCSc1c(cccc1F)F 62a_200015260668_100000693133 [0,2,0,0,0,0|2,0,0]=4 5607 B12R1.1631 O=CCSc1c(cccc1F)O 62a_100009820682_200015260668 [0,2,0,0,0,0|2,0,0]=4 5608 B12R1.1631 O=CCSc1c(cccc1F)O 62a_200015260668_100009820682 [0,2,0,0,0,0|2,0,0]=4 5609 B12R1.1631 O=CCSc1c(cccc1O)O 62a_200015260668_100010205330 [0,2,0,0,0,0|2,0,0]=4 5610 B12R1.28 C#CCNCc1cccc(c1)Br 2230a_100000174977_100000038162 [0,2,0,0,0,0|1,0,1]=4 5611 B12R1.28 C#CCNCc1cccc(c1)Br 34a_100000174977_100000184674 [0,2,0,0,0,0|1,0,1]=4 5612 B12R1.28 C#CCNCc1cccc(c1)Br 34a_100000212058_100000698116 [0,2,0,0,0,0|1,0,1]=4 5613 B12R1.28 C#CCNCc1cccc(c1)C 2230a_100000185548_100000038162 [0,2,0,0,0,0|1,0,1]=4 5614 B12R1.28 C#CCNCc1cccc(c1)C 34a_100000185548_100000184674 [0,2,0,0,0,0|1,0,1]=4 5615 B12R1.28 C#CCNCc1cccc(c1)C 34a_100000212058_100000211840 [0,2,0,0,0,0|1,0,1]=4 5616 B12R1.28 C#CCNCc1cccc(c1)Cl 2230a_100000174878_100000038162 [0,2,0,0,0,0|1,0,1]=4 5617 B12R1.28 C#CCNCc1cccc(c1)Cl 34a_100000174878_100000184674 [0,2,0,0,0,0|1,0,1]=4 5618 B12R1.28 C#CCNCc1cccc(c1)Cl 34a_100000212058_100000187163 [0,2,0,0,0,0|1,0,1]=4 5619 B12R1.28 C#CCNCc1cccc(c1)F 2230a_100000174948_100000038162 [0,2,0,0,0,0|1,0,1]=4 5620 B12R1.28 C#CCNCc1cccc(c1)F 34a_100000174948_100000184674 [0,2,0,0,0,0|1,0,1]=4 5621 B12R1.28 C#CCNCc1cccc(c1)F 34a_100000212058_100000187166 [0,2,0,0,0,0|1,0,1]=4 5622 B12R1.28 C#CCNCc1cccc(c1)I 2230a_100000106179_100000038162 [0,2,0,0,0,0|1,0,1]=4 5623 B12R1.28 C#CCNCc1cccc(c1)I 34a_100000106179_100000184674 [0,2,0,0,0,0|1,0,1]=4 5624 B12R1.28 C#CCNCc1cccc(c1)I 34a_100000212058_100011218688 [0,2,0,0,0,0|1,0,1]=4 5625 B12R1.28 C#CCNCc1cccc(c1)O 2230a_100000743036_100000038162 [0,2,0,0,0,0|1,0,1]=4 5626 B12R1.28 C#CCNCc1cccc(c1)O 34a_100000212058_100011660834 [0,2,0,0,0,0|1,0,1]=4 5627 B12R1.28 C#CCNCc1cccc(c1)O 34a_100000743036_100000184674 [0,2,0,0,0,0|1,0,1]=4 5628 B12R1.28 C/C=C/CNc1cccc(c1)Br 34a_100000210019_100102629194 [0,2,0,0,0,0|2,0,0]=4 5629 B12R1.28 C/C=C/CNc1cccc(c1)C 34a_100000188690_100102629194 [0,2,0,0,0,0|2,0,0]=4 5630 B12R1.28 C/C=C/CNc1cccc(c1)Cl 34a_100000185859_100102629194 [0,2,0,0,0,0|2,0,0]=4 5631 B12R1.28 C/C=C/CNc1cccc(c1)F 34a_100000210047_100102629194 [0,2,0,0,0,0|2,0,0]=4 5632 B12R1.28 C/C=C/CNc1cccc(c1)I 34a_100000211102_100102629194 [0,2,0,0,0,0|2,0,0]=4 5633 B12R1.28 C/C=C/CNc1cccc(c1)O 34a_100000210217_100102629194 [0,2,0,0,0,0|2,0,0]=4 5634 B12R1.28 C/C=C/COc1cccc(c1)Br 34a_100000210342_100102629194 [0,2,0,0,0,0|2,0,0]=4 5635 B12R1.28 C/C=C/COc1cccc(c1)Br 7a_100000210342_100102629194 [0,2,0,0,0,0|2,0,0]=4 5636 B12R1.28 C/C=C/COc1cccc(c1)C 34a_100000210337_100102629194 [0,2,0,0,0,0|2,0,0]=4 5637 B12R1.28 C/C=C/COc1cccc(c1)C 7a_100000210337_100102629194 [0,2,0,0,0,0|2,0,0]=4 5638 B12R1.28 C/C=C/COc1cccc(c1)Cl 34a_100000210295_100102629194 [0,2,0,0,0,0|2,0,0]=4 5639 B12R1.28 C/C=C/COc1cccc(c1)Cl 7a_100000210295_100102629194 [0,2,0,0,0,0|2,0,0]=4 5640 B12R1.28 C/C=C/COc1cccc(c1)F 34a_100000210426_100102629194 [0,2,0,0,0,0|2,0,0]=4 5641 B12R1.28 C/C=C/COc1cccc(c1)F 7a_100000210426_100102629194 [0,2,0,0,0,0|2,0,0]=4 5642 B12R1.28 C/C=C/COc1cccc(c1)I 34a_100000211634_100102629194 [0,2,0,0,0,0|2,0,0]=4 5643 B12R1.28 C/C=C/COc1cccc(c1)I 7a_100000211634_100102629194 [0,2,0,0,0,0|2,0,0]=4 5644 B12R1.28 C/C=C/COc1cccc(c1)N 34a_100000210217_100102629194 [0,2,0,0,0,0|2,0,0]=4 5645 B12R1.28 C/C=C/CSc1cccc(c1)Br 62a_100000691529_100102629194 [0,2,0,0,0,0|2,0,0]=4 5646 B12R1.28 C/C=C/CSc1cccc(c1)Br 62a_100102629194_100000691529 [0,2,0,0,0,0|2,0,0]=4 5647 B12R1.28 C/C=C/CSc1cccc(c1)C 62a_100011215228_100102629194 [0,2,0,0,0,0|2,0,0]=4 5648 B12R1.28 C/C=C/CSc1cccc(c1)C 62a_100102629194_100011215228 [0,2,0,0,0,0|2,0,0]=4 5649 B12R1.28 C/C=C/CSc1cccc(c1)Cl 62a_100000699651_100102629194 [0,2,0,0,0,0|2,0,0]=4 5650 B12R1.28 C/C=C/CSc1cccc(c1)Cl 62a_100102629194_100000699651 [0,2,0,0,0,0|2,0,0]=4 5651 B12R1.28 C/C=C/CSc1cccc(c1)F 62a_100000685547_100102629194 [0,2,0,0,0,0|2,0,0]=4 5652 B12R1.28 C/C=C/CSc1cccc(c1)F 62a_100102629194_100000685547 [0,2,0,0,0,0|2,0,0]=4 5653 B12R1.28 C/C=C/CSc1cccc(c1)N 62a_100000210019_100102629194 [0,2,0,0,0,0|2,0,0]=4 5654 B12R1.28 C/C=C/CSc1cccc(c1)N 62a_100102629194_100000210019 [0,2,0,0,0,0|2,0,0]=4 5655 B12R1.28 C/C=C/CSc1cccc(c1)O 62a_100102629194_100000211634 [0,2,0,0,0,0|2,0,0]=4 5656 B12R1.28 C/C=C/CSc1cccc(c1)[S] 62a_100102629194_114929384022 [0,2,0,0,0,0|2,0,0]=4 5657 B12R1.28 C/C=C/CSc1cccc(c1)[S] 62a_114929384022_100102629194 [0,2,0,0,0,0|2,0,0]=4 5658 B12R1.28 C=CCCNc1cccc(c1)Br 34a_100000210019_100000754431 [0,2,0,0,0,0|2,0,0]=4 5659 B12R1.28 C=CCCNc1cccc(c1)C 2230a_100000188690_100000754431 [0,2,0,0,0,0|2,0,0]=4 5660 B12R1.28 C=CCCNc1cccc(c1)C 34a_100000188690_100000754431 [0,2,0,0,0,0|2,0,0]=4 5661 B12R1.28 C=CCCNc1cccc(c1)Cl 34a_100000185859_100000754431 [0,2,0,0,0,0|2,0,0]=4 5662 B12R1.28 C=CCCNc1cccc(c1)F 34a_100000210047_100000754431 [0,2,0,0,0,0|2,0,0]=4 5663 B12R1.28 C=CCCNc1cccc(c1)I 34a_100000211102_100000754431 [0,2,0,0,0,0|2,0,0]=4 5664 B12R1.28 C=CCCNc1cccc(c1)O 34a_100000210217_100000754431 [0,2,0,0,0,0|2,0,0]=4 5665 B12R1.28 C=CCCOc1cccc(c1)Br 34a_100000210342_100000754431 [0,2,0,0,0,0|2,0,0]=4 5666 B12R1.28 C=CCCOc1cccc(c1)Br 7a_100000210342_100000754431 [0,2,0,0,0,0|2,0,0]=4 5667 B12R1.28 C=CCCOc1cccc(c1)C 34a_100000210337_100000754431 [0,2,0,0,0,0|2,0,0]=4 5668 B12R1.28 C=CCCOc1cccc(c1)C 7a_100000210337_100000754431 [0,2,0,0,0,0|2,0,0]=4 5669 B12R1.28 C=CCCOc1cccc(c1)Cl 34a_100000210295_100000754431 [0,2,0,0,0,0|2,0,0]=4 5670 B12R1.28 C=CCCOc1cccc(c1)Cl 7a_100000210295_100000754431 [0,2,0,0,0,0|2,0,0]=4 5671 B12R1.28 C=CCCOc1cccc(c1)F 34a_100000210426_100000754431 [0,2,0,0,0,0|2,0,0]=4 5672 B12R1.28 C=CCCOc1cccc(c1)F 7a_100000210426_100000754431 [0,2,0,0,0,0|2,0,0]=4 5673 B12R1.28 C=CCCOc1cccc(c1)I 34a_100000211634_100000754431 [0,2,0,0,0,0|2,0,0]=4 5674 B12R1.28 C=CCCOc1cccc(c1)I 7a_100000211634_100000754431 [0,2,0,0,0,0|2,0,0]=4 5675 B12R1.28 C=CCCOc1cccc(c1)N 34a_100000210217_100000754431 [0,2,0,0,0,0|2,0,0]=4 5676 B12R1.28 C=CCCSc1cccc(c1)Br 62a_100000691529_100000754431 [0,2,0,0,0,0|2,0,0]=4 5677 B12R1.28 C=CCCSc1cccc(c1)Br 62a_100000754431_100000691529 [0,2,0,0,0,0|2,0,0]=4 5678 B12R1.28 C=CCCSc1cccc(c1)C 62a_100000754431_100011215228 [0,2,0,0,0,0|2,0,0]=4 5679 B12R1.28 C=CCCSc1cccc(c1)C 62a_100011215228_100000754431 [0,2,0,0,0,0|2,0,0]=4 5680 B12R1.28 C=CCCSc1cccc(c1)Cl 62a_100000699651_100000754431 [0,2,0,0,0,0|2,0,0]=4 5681 B12R1.28 C=CCCSc1cccc(c1)Cl 62a_100000754431_100000699651 [0,2,0,0,0,0|2,0,0]=4 5682 B12R1.28 C=CCCSc1cccc(c1)F 62a_100000685547_100000754431 [0,2,0,0,0,0|2,0,0]=4 5683 B12R1.28 C=CCCSc1cccc(c1)F 62a_100000754431_100000685547 [0,2,0,0,0,0|2,0,0]=4 5684 B12R1.28 C=CCCSc1cccc(c1)N 62a_100000210019_100000754431 [0,2,0,0,0,0|2,0,0]=4 5685 B12R1.28 C=CCCSc1cccc(c1)N 62a_100000754431_100000210019 [0,2,0,0,0,0|2,0,0]=4 5686 B12R1.28 C=CCCSc1cccc(c1)O 62a_100000754431_100000211634 [0,2,0,0,0,0|2,0,0]=4 5687 B12R1.28 C=CCCSc1cccc(c1)[S] 62a_100000754431_114929384022 [0,2,0,0,0,0|2,0,0]=4 5688 B12R1.28 C=CCCSc1cccc(c1)[S] 62a_114929384022_100000754431 [0,2,0,0,0,0|2,0,0]=4 5689 B12R1.28 C=CCNCc1cc(ccn1)Br 2230a_100020586998_100010173614 [0,2,0,0,0,0|2,0,0]=4 5690 B12R1.28 C=CCNCc1cc(ccn1)Br 270004a_100020586998_100009818557 [0,2,0,0,0,0|2,0,0]=4 5691 B12R1.28 C=CCNCc1cc(ccn1)C 2230a_100020586998_100000718516 [0,2,0,0,0,0|2,0,0]=4 5692 B12R1.28 C=CCNCc1cc(ccn1)C 270004a_100020586998_100011361488 [0,2,0,0,0,0|2,0,0]=4 5693 B12R1.28 C=CCNCc1cc(ccn1)Cl 2230a_100020586998_100016988179 [0,2,0,0,0,0|2,0,0]=4 5694 B12R1.28 C=CCNCc1cc(ccn1)Cl 270004a_100020586998_100011998288 [0,2,0,0,0,0|2,0,0]=4 5695 B12R1.28 C=CCNCc1cccc(=O)[nH]1 2230a_100000696482_100000210623 [0,2,0,0,0,0|2,0,0]=4 5696 B12R1.28 C=CCNCc1cccc(c1)Br 2230a_100000174977_100000210623 [0,2,0,0,0,0|1,0,0]=3 5697 B12R1.28 C=CCNCc1cccc(c1)Br 2230a_100020586998_100000698116 [0,2,0,0,0,0|1,0,0]=3 5698 B12R1.28 C=CCNCc1cccc(c1)Br 270004a_100020586998_100000210085 [0,2,0,0,0,0|1,0,0]=3 5699 B12R1.28 C=CCNCc1cccc(c1)Br 34a_100000174977_100015514636 [0,2,0,0,0,0|1,0,0]=3 5700 B12R1.28 C=CCNCc1cccc(c1)C 2230a_100000185548_100000210623 [0,2,0,0,0,0|1,0,0]=3 5701 B12R1.28 C=CCNCc1cccc(c1)C 2230a_100020586998_100000211840 [0,2,0,0,0,0|1,0,0]=3 5702 B12R1.28 C=CCNCc1cccc(c1)C 270004a_100020586998_100000211157 [0,2,0,0,0,0|1,0,0]=3 5703 B12R1.28 C=CCNCc1cccc(c1)C 34a_100000185548_100015514636 [0,2,0,0,0,0|1,0,0]=3 5704 B12R1.28 C=CCNCc1cccc(c1)Cl 2230a_100000174878_100000210623 [0,2,0,0,0,0|1,0,0]=3 5705 B12R1.28 C=CCNCc1cccc(c1)Cl 2230a_100020586998_100000181238 [0,2,0,0,0,0|1,0,0]=3 5706 B12R1.28 C=CCNCc1cccc(c1)Cl 270004a_100020586998_100000210801 [0,2,0,0,0,0|1,0,0]=3 5707 B12R1.28 C=CCNCc1cccc(c1)Cl 34a_100000174878_100015514636 [0,2,0,0,0,0|1,0,0]=3 5708 B12R1.28 C=CCNCc1cccc(c1)F 2230a_100000174948_100000210623 [0,2,0,0,0,0|1,0,0]=3 5709 B12R1.28 C=CCNCc1cccc(c1)F 2230a_100020586998_100000230114 [0,2,0,0,0,0|1,0,0]=3 5710 B12R1.28 C=CCNCc1cccc(c1)F 270004a_100020586998_100000210812 [0,2,0,0,0,0|1,0,0]=3 5711 B12R1.28 C=CCNCc1cccc(c1)F 34a_100000174948_100015514636 [0,2,0,0,0,0|1,0,0]=3 5712 B12R1.28 C=CCNCc1cccc(c1)I 2230a_100000106179_100000210623 [0,2,0,0,0,0|1,0,0]=3 5713 B12R1.28 C=CCNCc1cccc(c1)I 2230a_100020586998_100011218688 [0,2,0,0,0,0|1,0,0]=3 5714 B12R1.28 C=CCNCc1cccc(c1)I 270004a_100020586998_100000014684 [0,2,0,0,0,0|1,0,0]=3 5715 B12R1.28 C=CCNCc1cccc(c1)I 34a_100000106179_100015514636 [0,2,0,0,0,0|1,0,0]=3 5716 B12R1.28 C=CCNCc1cccc(c1)O 2230a_100000743036_100000210623 [0,2,0,0,0,0|1,0,0]=3 5717 B12R1.28 C=CCNCc1cccc(c1)O 2230a_100020586998_100011660834 [0,2,0,0,0,0|1,0,0]=3 5718 B12R1.28 C=CCNCc1cccc(c1)O 270004a_100020586998_100000188321 [0,2,0,0,0,0|1,0,0]=3 5719 B12R1.28 C=CCNCc1cccc(c1)O 34a_100000743036_100015514636 [0,2,0,0,0,0|1,0,0]=3 5720 B12R1.28 C=CCNCc1cccc(n1)Br 2230a_100016987751_100000210623 [0,2,0,0,0,0|2,0,0]=4 5721 B12R1.28 C=CCNCc1cccc(n1)Br 2230a_100020586998_100009889011 [0,2,0,0,0,0|2,0,0]=4 5722 B12R1.28 C=CCNCc1cccc(n1)Br 270004a_100020586998_100000688028 [0,2,0,0,0,0|2,0,0]=4 5723 B12R1.28 C=CCNCc1cccc(n1)C 2230a_100020586998_100000757606 [0,2,0,0,0,0|2,0,0]=4 5724 B12R1.28 C=CCNCc1cccc(n1)C 270004a_100020586998_100011215050 [0,2,0,0,0,0|2,0,0]=4 5725 B12R1.28 C=CCNCc1cccc(n1)C 34a_100000701342_100015514636 [0,2,0,0,0,0|2,0,0]=4 5726 B12R1.28 C=CCNCc1cccc(n1)Cl 2230a_100016990191_100000210623 [0,2,0,0,0,0|2,0,0]=4 5727 B12R1.28 C=CCNCc1cccc(n1)Cl 2230a_100020586998_100000086093 [0,2,0,0,0,0|2,0,0]=4 5728 B12R1.28 C=CCNCc1cccc(n1)Cl 270004a_100020586998_100011361687 [0,2,0,0,0,0|2,0,0]=4 5729 B12R1.28 C=CCNCc1cccc(n1)F 2230a_100015188798_100000210623 [0,2,0,0,0,0|2,0,0]=4 5730 B12R1.28 C=CCNCc1cccc(n1)F 2230a_100020586998_100009819644 [0,2,0,0,0,0|2,0,0]=4 5731 B12R1.28 C=CCNCc1cccc(n1)F 270004a_100020586998_100000050434 [0,2,0,0,0,0|2,0,0]=4 5732 B12R1.28 C=CCNCc1cccc(n1)F 34a_100015188798_100015514636 [0,2,0,0,0,0|2,0,0]=4 5733 B12R1.28 C=CCNCc1ccnc(c1)Br 2230a_100020586998_100010243470 [0,2,0,0,0,0|2,0,0]=4 5734 B12R1.28 C=CCNCc1ccnc(c1)Br 2230a_100025757509_100000210623 [0,2,0,0,0,0|2,0,0]=4 5735 B12R1.28 C=CCNCc1ccnc(c1)Br 270004a_100020586998_100009814634 [0,2,0,0,0,0|2,0,0]=4 5736 B12R1.28 C=CCNCc1ccnc(c1)Br 34a_100025757509_100015514636 [0,2,0,0,0,0|2,0,0]=4 5737 B12R1.28 C=CCNCc1ccnc(c1)C 2230a_100020586998_200020672517 [0,2,0,0,0,0|2,0,0]=4 5738 B12R1.28 C=CCNCc1ccnc(c1)C 270004a_100020586998_100011361630 [0,2,0,0,0,0|2,0,0]=4 5739 B12R1.28 C=CCNCc1ccnc(c1)C 34a_100011934566_100015514636 [0,2,0,0,0,0|2,0,0]=4 5740 B12R1.28 C=CCNCc1ccnc(c1)Cl 2230a_100015205668_100000210623 [0,2,0,0,0,0|2,0,0]=4 5741 B12R1.28 C=CCNCc1ccnc(c1)Cl 2230a_100020586998_100000764220 [0,2,0,0,0,0|2,0,0]=4 5742 B12R1.28 C=CCNCc1ccnc(c1)Cl 270004a_100020586998_100011290808 [0,2,0,0,0,0|2,0,0]=4 5743 B12R1.28 C=CCNCc1ccnc(c1)Cl 34a_100015205668_100015514636 [0,2,0,0,0,0|2,0,0]=4 5744 B12R1.28 C=CCNCc1ccnc(c1)F 2230a_100015188774_100000210623 [0,2,0,0,0,0|2,0,0]=4 5745 B12R1.28 C=CCNCc1ccnc(c1)F 270004a_100020586998_100000068331 [0,2,0,0,0,0|2,0,0]=4 5746 B12R1.28 C=CCNCc1ccnc(c1)F 34a_100015188774_100015514636 [0,2,0,0,0,0|2,0,0]=4 5747 B12R1.28 C=CCNCc1cncc(c1)Br 2230a_100020586998_100000738771 [0,2,0,0,0,0|2,0,0]=4 5748 B12R1.28 C=CCNCc1cncc(c1)Br 270004a_100020586998_100000687066 [0,2,0,0,0,0|2,0,0]=4 5749 B12R1.28 C=CCNCc1cncc(c1)C 2230a_100000692839_100000210623 [0,2,0,0,0,0|2,0,0]=4 5750 B12R1.28 C=CCNCc1cncc(c1)C 2230a_100020586998_100000716715 [0,2,0,0,0,0|2,0,0]=4 5751 B12R1.28 C=CCNCc1cncc(c1)C 270004a_100020586998_100011998712 [0,2,0,0,0,0|2,0,0]=4 5752 B12R1.28 C=CCNCc1cncc(c1)C 34a_100000692839_100015514636 [0,2,0,0,0,0|2,0,0]=4 5753 B12R1.28 C=CCNCc1cncc(c1)Cl 2230a_100020586998_100016992070 [0,2,0,0,0,0|2,0,0]=4 5754 B12R1.28 C=CCNCc1cncc(c1)Cl 2230a_200020614424_100000210623 [0,2,0,0,0,0|2,0,0]=4 5755 B12R1.28 C=CCNCc1cncc(c1)Cl 270004a_100020586998_100000088910 [0,2,0,0,0,0|2,0,0]=4 5756 B12R1.28 C=CCNCc1cncc(c1)F 2230a_100011962886_100000210623 [0,2,0,0,0,0|2,0,0]=4 5757 B12R1.28 C=CCNCc1cncc(c1)F 2230a_100020586998_100000725299 [0,2,0,0,0,0|2,0,0]=4 5758 B12R1.28 C=CCNCc1cncc(c1)F 270004a_100020586998_100011361476 [0,2,0,0,0,0|2,0,0]=4 5759 B12R1.28 C=CCNCc1cncc(c1)F 34a_100011962886_100015514636 [0,2,0,0,0,0|2,0,0]=4 5760 B12R1.28 C=CCNCc1cncc(c1)O 270004a_100020586998_100012187055 [0,2,0,0,0,0|2,0,0]=4 5761 B12R1.28 C=CCOCc1cccc(c1)Br 34a_100000687537_100015514636 [0,2,0,0,0,0|2,0,0]=4 5762 B12R1.28 C=CCOCc1cccc(c1)Br 34a_200000210373_100000698116 [0,2,0,0,0,0|2,0,0]=4 5763 B12R1.28 C=CCOCc1cccc(c1)Br 7a_100000687537_100015514636 [0,2,0,0,0,0|2,0,0]=4 5764 B12R1.28 C=CCOCc1cccc(c1)C 34a_100011217746_100015514636 [0,2,0,0,0,0|2,0,0]=4 5765 B12R1.28 C=CCOCc1cccc(c1)C 34a_200000210373_100000211840 [0,2,0,0,0,0|2,0,0]=4 5766 B12R1.28 C=CCOCc1cccc(c1)C 7a_100011217746_100015514636 [0,2,0,0,0,0|2,0,0]=4 5767 B12R1.28 C=CCOCc1cccc(c1)Cl 34a_100000241301_100015514636 [0,2,0,0,0,0|2,0,0]=4 5768 B12R1.28 C=CCOCc1cccc(c1)Cl 34a_200000210373_100000187163 [0,2,0,0,0,0|2,0,0]=4 5769 B12R1.28 C=CCOCc1cccc(c1)Cl 7a_100000241301_100015514636 [0,2,0,0,0,0|2,0,0]=4 5770 B12R1.28 C=CCOCc1cccc(c1)F 34a_100000210976_100015514636 [0,2,0,0,0,0|2,0,0]=4 5771 B12R1.28 C=CCOCc1cccc(c1)F 34a_200000210373_100000187166 [0,2,0,0,0,0|2,0,0]=4 5772 B12R1.28 C=CCOCc1cccc(c1)F 7a_100000210976_100015514636 [0,2,0,0,0,0|2,0,0]=4 5773 B12R1.28 C=CCOCc1cccc(c1)I 34a_100011215336_100015514636 [0,2,0,0,0,0|2,0,0]=4 5774 B12R1.28 C=CCOCc1cccc(c1)I 34a_200000210373_100011218688 [0,2,0,0,0,0|2,0,0]=4 5775 B12R1.28 C=CCOCc1cccc(c1)I 7a_100011215336_100015514636 [0,2,0,0,0,0|2,0,0]=4 5776 B12R1.28 C=CCOCc1cccc(c1)N 34a_100000211919_100015514636 [0,2,0,0,0,0|2,0,0]=4 5777 B12R1.28 C=CCOCc1cccc(c1)O 34a_200000210373_100011660834 [0,2,0,0,0,0|2,0,0]=4 5778 B12R1.28 C=CCSCc1cccc(c1)Br 62a_100000210623_100000211773 [0,2,0,0,0,0|2,0,0]=4 5779 B12R1.28 C=CCSCc1cccc(c1)Br 62a_100000211773_100000210623 [0,2,0,0,0,0|2,0,0]=4 5780 B12R1.28 C=CCSCc1cccc(c1)C 62a_100000210623_100000211840 [0,2,0,0,0,0|2,0,0]=4 5781 B12R1.28 C=CCSCc1cccc(c1)C 62a_100000211840_100000210623 [0,2,0,0,0,0|2,0,0]=4 5782 B12R1.28 C=CCSCc1cccc(c1)Cl 62a_100000187163_100000210623 [0,2,0,0,0,0|2,0,0]=4 5783 B12R1.28 C=CCSCc1cccc(c1)Cl 62a_100000210623_100000187163 [0,2,0,0,0,0|2,0,0]=4 5784 B12R1.28 C=CCSCc1cccc(c1)F 62a_100000210623_100000230114 [0,2,0,0,0,0|2,0,0]=4 5785 B12R1.28 C=CCSCc1cccc(c1)F 62a_100000230114_100000210623 [0,2,0,0,0,0|2,0,0]=4 5786 B12R1.28 C=CCSCc1cccc(c1)I 62a_100000210623_100011218688 [0,2,0,0,0,0|2,0,0]=4 5787 B12R1.28 C=CCSCc1cccc(c1)I 62a_100011218688_100000210623 [0,2,0,0,0,0|2,0,0]=4 5788 B12R1.28 C=CCSCc1cccc(c1)O 62a_100000210623_100011660834 [0,2,0,0,0,0|2,0,0]=4 5789 B12R1.28 C=CCSCc1cccc(c1)O 62a_100011660834_100000210623 [0,2,0,0,0,0|2,0,0]=4 5790 B12R1.28 CC=CCNc1cccc(c1)Br 34a_100000210019_100000070051 [0,2,0,0,0,0|2,0,0]=4 5791 B12R1.28 CC=CCNc1cccc(c1)C 2230a_100000188690_100000070051 [0,2,0,0,0,0|2,0,0]=4 5792 B12R1.28 CC=CCNc1cccc(c1)C 34a_100000188690_100000070051 [0,2,0,0,0,0|2,0,0]=4 5793 B12R1.28 CC=CCNc1cccc(c1)Cl 34a_100000185859_100000070051 [0,2,0,0,0,0|2,0,0]=4 5794 B12R1.28 CC=CCNc1cccc(c1)F 34a_100000210047_100000070051 [0,2,0,0,0,0|2,0,0]=4 5795 B12R1.28 CC=CCNc1cccc(c1)I 34a_100000211102_100000070051 [0,2,0,0,0,0|2,0,0]=4 5796 B12R1.28 CC=CCNc1cccc(c1)O 34a_100000210217_100000070051 [0,2,0,0,0,0|2,0,0]=4 5797 B12R1.28 CC=CCOc1cccc(c1)Br 34a_100000210342_100000070051 [0,2,0,0,0,0|2,0,0]=4 5798 B12R1.28 CC=CCOc1cccc(c1)Br 7a_100000210342_100000070051 [0,2,0,0,0,0|2,0,0]=4 5799 B12R1.28 CC=CCOc1cccc(c1)C 34a_100000210337_100000070051 [0,2,0,0,0,0|2,0,0]=4 5800 B12R1.28 CC=CCOc1cccc(c1)C 7a_100000210337_100000070051 [0,2,0,0,0,0|2,0,0]=4 5801 B12R1.28 CC=CCOc1cccc(c1)Cl 34a_100000210295_100000070051 [0,2,0,0,0,0|2,0,0]=4 5802 B12R1.28 CC=CCOc1cccc(c1)Cl 7a_100000210295_100000070051 [0,2,0,0,0,0|2,0,0]=4 5803 B12R1.28 CC=CCOc1cccc(c1)F 34a_100000210426_100000070051 [0,2,0,0,0,0|2,0,0]=4 5804 B12R1.28 CC=CCOc1cccc(c1)F 7a_100000210426_100000070051 [0,2,0,0,0,0|2,0,0]=4 5805 B12R1.28 CC=CCOc1cccc(c1)I 34a_100000211634_100000070051 [0,2,0,0,0,0|2,0,0]=4 5806 B12R1.28 CC=CCOc1cccc(c1)I 7a_100000211634_100000070051 [0,2,0,0,0,0|2,0,0]=4 5807 B12R1.28 CC=CCOc1cccc(c1)N 34a_100000210217_100000070051 [0,2,0,0,0,0|2,0,0]=4 5808 B12R1.28 CC=CCSc1cccc(c1)Br 62a_100000070051_100000691529 [0,2,0,0,0,0|2,0,0]=4 5809 B12R1.28 CC=CCSc1cccc(c1)Br 62a_100000691529_100000070051 [0,2,0,0,0,0|2,0,0]=4 5810 B12R1.28 CC=CCSc1cccc(c1)C 62a_100000070051_100011215228 [0,2,0,0,0,0|2,0,0]=4 5811 B12R1.28 CC=CCSc1cccc(c1)C 62a_100011215228_100000070051 [0,2,0,0,0,0|2,0,0]=4 5812 B12R1.28 CC=CCSc1cccc(c1)Cl 62a_100000070051_100000699651 [0,2,0,0,0,0|2,0,0]=4 5813 B12R1.28 CC=CCSc1cccc(c1)Cl 62a_100000699651_100000070051 [0,2,0,0,0,0|2,0,0]=4 5814 B12R1.28 CC=CCSc1cccc(c1)F 62a_100000070051_100000685547 [0,2,0,0,0,0|2,0,0]=4 5815 B12R1.28 CC=CCSc1cccc(c1)F 62a_100000685547_100000070051 [0,2,0,0,0,0|2,0,0]=4 5816 B12R1.28 CC=CCSc1cccc(c1)N 62a_100000070051_100000210019 [0,2,0,0,0,0|2,0,0]=4 5817 B12R1.28 CC=CCSc1cccc(c1)N 62a_100000210019_100000070051 [0,2,0,0,0,0|2,0,0]=4 5818 B12R1.28 CC=CCSc1cccc(c1)O 62a_100000070051_100000211634 [0,2,0,0,0,0|2,0,0]=4 5819 B12R1.28 CC=CCSc1cccc(c1)[S] 62a_100000070051_114929384022 [0,2,0,0,0,0|2,0,0]=4 5820 B12R1.28 CC=CCSc1cccc(c1)[S] 62a_114929384022_100000070051 [0,2,0,0,0,0|2,0,0]=4 5821 B12R1.28 CC=NNCc1cccc(c1)Br 4a_100000686200_200000210099 [0,2,0,0,0,0|1,0,0]=3 5822 B12R1.28 CC=NNCc1cccc(c1)Cl 4a_100000685877_200000210099 [0,2,0,0,0,0|1,0,0]=3 5823 B12R1.28 CC=NNCc1cccc(c1)F 4a_100016993953_200000210099 [0,2,0,0,0,0|1,0,0]=3 5824 B12R1.28 CCCNCc1cccc(c1)Br 207a_100020643023_100000210085 [0,2,0,0,0,0|1,0,1]=4 5825 B12R1.28 CCCNCc1cccc(c1)Br 2230a_100000174977_100000210303 [0,2,0,0,0,0|1,0,1]=4 5826 B12R1.28 CCCNCc1cccc(c1)Br 270004a_100020643023_100000210085 [0,2,0,0,0,0|1,0,1]=4 5827 B12R1.28 CCCNCc1cccc(c1)Br 34a_100000174977_100000210303 [0,2,0,0,0,0|1,0,1]=4 5828 B12R1.28 CCCNCc1cccc(c1)C 207a_100020643023_100000211157 [0,2,0,0,0,0|1,0,1]=4 5829 B12R1.28 CCCNCc1cccc(c1)C 2230a_100000185548_100000210303 [0,2,0,0,0,0|1,0,1]=4 5830 B12R1.28 CCCNCc1cccc(c1)C 270004a_100020643023_100000211157 [0,2,0,0,0,0|1,0,1]=4 5831 B12R1.28 CCCNCc1cccc(c1)C 34a_100000185548_100000210303 [0,2,0,0,0,0|1,0,1]=4 5832 B12R1.28 CCCNCc1cccc(c1)Cl 207a_100020643023_100000210801 [0,2,0,0,0,0|1,0,1]=4 5833 B12R1.28 CCCNCc1cccc(c1)Cl 2230a_100000174878_100000210303 [0,2,0,0,0,0|1,0,1]=4 5834 B12R1.28 CCCNCc1cccc(c1)Cl 270004a_100020643023_100000210801 [0,2,0,0,0,0|1,0,1]=4 5835 B12R1.28 CCCNCc1cccc(c1)Cl 34a_100000174878_100000210303 [0,2,0,0,0,0|1,0,1]=4 5836 B12R1.28 CCCNCc1cccc(c1)F 207a_100020643023_100000210812 [0,2,0,0,0,0|1,0,1]=4 5837 B12R1.28 CCCNCc1cccc(c1)F 2230a_100000174948_100000210303 [0,2,0,0,0,0|1,0,1]=4 5838 B12R1.28 CCCNCc1cccc(c1)F 270004a_100020643023_100000210812 [0,2,0,0,0,0|1,0,1]=4 5839 B12R1.28 CCCNCc1cccc(c1)F 34a_100000174948_100000210303 [0,2,0,0,0,0|1,0,1]=4 5840 B12R1.28 CCCNCc1cccc(c1)I 207a_100020643023_100000014684 [0,2,0,0,0,0|1,0,1]=4 5841 B12R1.28 CCCNCc1cccc(c1)I 2230a_100000106179_100000210303 [0,2,0,0,0,0|1,0,1]=4 5842 B12R1.28 CCCNCc1cccc(c1)I 270004a_100020643023_100000014684 [0,2,0,0,0,0|1,0,1]=4 5843 B12R1.28 CCCNCc1cccc(c1)I 34a_100000106179_100000210303 [0,2,0,0,0,0|1,0,1]=4 5844 B12R1.28 CCCNCc1cccc(c1)O 207a_100020643023_100000188321 [0,2,0,0,0,0|1,0,1]=4 5845 B12R1.28 CCCNCc1cccc(c1)O 2230a_100000743036_100000210303 [0,2,0,0,0,0|1,0,1]=4 5846 B12R1.28 CCCNCc1cccc(c1)O 270004a_100020643023_100000188321 [0,2,0,0,0,0|1,0,1]=4 5847 B12R1.28 CCCNCc1cccc(c1)O 271570a_203496583355_100015184641 [0,2,0,0,0,0|1,0,1]=4 5848 B12R1.28 CCCNCc1cccc(c1)O 34a_100000743036_100000210303 [0,2,0,0,0,0|1,0,1]=4 5849 B12R1.28 CCNCCc1cccc(c1)Br 2230a_100011207229_100000210202 [0,2,0,0,0,0|1,0,1]=4 5850 B12R1.28 CCNCCc1cccc(c1)Br 2230a_100015525214_100011740638 [0,2,0,0,0,0|1,0,1]=4 5851 B12R1.28 CCNCCc1cccc(c1)Br 34a_100011207229_100000210202 [0,2,0,0,0,0|1,0,1]=4 5852 B12R1.28 CCNCCc1cccc(c1)C 2230a_100000749837_100000210202 [0,2,0,0,0,0|1,0,1]=4 5853 B12R1.28 CCNCCc1cccc(c1)C 2230a_100015525214_100011713685 [0,2,0,0,0,0|1,0,1]=4 5854 B12R1.28 CCNCCc1cccc(c1)C 34a_100000749837_100000210202 [0,2,0,0,0,0|1,0,1]=4 5855 B12R1.28 CCNCCc1cccc(c1)Cl 2230a_100000185263_100000210202 [0,2,0,0,0,0|1,0,1]=4 5856 B12R1.28 CCNCCc1cccc(c1)Cl 2230a_100015525214_100011713710 [0,2,0,0,0,0|1,0,1]=4 5857 B12R1.28 CCNCCc1cccc(c1)Cl 34a_100000185263_100000210202 [0,2,0,0,0,0|1,0,1]=4 5858 B12R1.28 CCNCCc1cccc(c1)F 2230a_100000205154_100000210202 [0,2,0,0,0,0|1,0,1]=4 5859 B12R1.28 CCNCCc1cccc(c1)F 2230a_100015525214_100011217235 [0,2,0,0,0,0|1,0,1]=4 5860 B12R1.28 CCNCCc1cccc(c1)F 34a_100000205154_100000210202 [0,2,0,0,0,0|1,0,1]=4 5861 B12R1.28 CCNCCc1cccc(c1)O 2230a_100000747277_100000210202 [0,2,0,0,0,0|1,0,1]=4 5862 B12R1.28 CCNCCc1cccc(c1)O 34a_100000747277_100000210202 [0,2,0,0,0,0|1,0,1]=4 5863 B12R1.28 COCNCc1cccc(c1)Br 2230a_100000174977_100000766300 [0,2,0,0,0,0|0,0,2]=4 5864 B12R1.28 COCNCc1cccc(c1)C 2230a_100000185548_100000766300 [0,2,0,0,0,0|0,0,2]=4 5865 B12R1.28 COCNCc1cccc(c1)Cl 2230a_100000174878_100000766300 [0,2,0,0,0,0|0,0,2]=4 5866 B12R1.28 COCNCc1cccc(c1)F 2230a_100000174948_100000766300 [0,2,0,0,0,0|0,0,2]=4 5867 B12R1.28 COCNCc1cccc(c1)I 2230a_100000106179_100000766300 [0,2,0,0,0,0|0,0,2]=4 5868 B12R1.28 COCNCc1cccc(c1)O 2230a_100000743036_100000766300 [0,2,0,0,0,0|0,0,2]=4 5869 B12R1.28 CSCNCc1cccc(c1)Br 2230a_100000174977_100011218213 [0,2,0,0,0,0|0,1,1]=4 5870 B12R1.28 CSCNCc1cccc(c1)Br 34a_100000174977_100011218213 [0,2,0,0,0,0|0,1,1]=4 5871 B12R1.28 CSCNCc1cccc(c1)C 2230a_100000185548_100011218213 [0,2,0,0,0,0|0,1,1]=4 5872 B12R1.28 CSCNCc1cccc(c1)C 34a_100000185548_100011218213 [0,2,0,0,0,0|0,1,1]=4 5873 B12R1.28 CSCNCc1cccc(c1)Cl 2230a_100000174878_100011218213 [0,2,0,0,0,0|0,1,1]=4 5874 B12R1.28 CSCNCc1cccc(c1)Cl 34a_100000174878_100011218213 [0,2,0,0,0,0|0,1,1]=4 5875 B12R1.28 CSCNCc1cccc(c1)F 2230a_100000174948_100011218213 [0,2,0,0,0,0|0,1,1]=4 5876 B12R1.28 CSCNCc1cccc(c1)F 34a_100000174948_100011218213 [0,2,0,0,0,0|0,1,1]=4 5877 B12R1.28 CSCNCc1cccc(c1)I 2230a_100000106179_100011218213 [0,2,0,0,0,0|0,1,1]=4 5878 B12R1.28 CSCNCc1cccc(c1)I 34a_100000106179_100011218213 [0,2,0,0,0,0|0,1,1]=4 5879 B12R1.28 CSCNCc1cccc(c1)O 2230a_100000743036_100011218213 [0,2,0,0,0,0|0,1,1]=4 5880 B12R1.28 CSCNCc1cccc(c1)O 34a_100000743036_100011218213 [0,2,0,0,0,0|0,1,1]=4 5881 B12R1.28 Cc1cc(ccn1)CNCC=O 34a_100011934566_200009817547 [0,2,0,0,0,0|1,0,0]=3 5882 B12R1.28 Cc1cc(ccn1)COCC=O 34a_100011998630_200009817547 [0,2,0,0,0,0|2,0,0]=4 5883 B12R1.28 Cc1cc(ccn1)CSCC=O 62a_200015260668_200020672517 [0,2,0,0,0,0|2,0,0]=4 5884 B12R1.28 Cc1cc(ccn1)CSCC=O 62a_200020672517_200015260668 [0,2,0,0,0,0|2,0,0]=4 5885 B12R1.28 Cc1cccc(c1)CCNCF 34a_100000749837_100015361967 [0,2,0,0,0,0|1,0,1]=4 5886 B12R1.28 Cc1cccc(c1)CNCC#N 2230a_100000185548_100011215382 [0,2,0,0,0,0|1,0,1]=4 5887 B12R1.28 Cc1cccc(c1)CNCC=O 2230a_100000185548_200015260668 [0,2,0,0,0,0|0,0,0]=2 5888 B12R1.28 Cc1cccc(c1)CNCC=O 34a_100000185548_200009817547 [0,2,0,0,0,0|0,0,0]=2 5889 B12R1.28 Cc1cccc(c1)CNCCF 2230a_100000185548_100011217306 [0,2,0,0,0,0|1,0,1]=4 5890 B12R1.28 Cc1cccc(c1)CNCCF 34a_100000185548_100011217306 [0,2,0,0,0,0|1,0,1]=4 5891 B12R1.28 Cc1cccc(c1)CNCCF 34a_100000724931_100000211840 [0,2,0,0,0,0|1,0,1]=4 5892 B12R1.28 Cc1cccc(c1)CNCCO 207a_100000210304_100000211157 [0,2,0,0,0,0|0,0,2]=4 5893 B12R1.28 Cc1cccc(c1)CNCCO 2230a_100000185548_100000211926 [0,2,0,0,0,0|0,0,2]=4 5894 B12R1.28 Cc1cccc(c1)CNCCO 2230a_100016997473_100000211840 [0,2,0,0,0,0|0,0,2]=4 5895 B12R1.28 Cc1cccc(c1)CNCCO 270004a_100000210304_100000211157 [0,2,0,0,0,0|0,0,2]=4 5896 B12R1.28 Cc1cccc(c1)CNCCO 34a_100000185548_100000211926 [0,2,0,0,0,0|0,0,2]=4 5897 B12R1.28 Cc1cccc(c1)CNCCO 34a_100016990907_100000211840 [0,2,0,0,0,0|0,0,2]=4 5898 B12R1.28 Cc1cccc(c1)COCC=O 34a_100011217746_200009817547 [0,2,0,0,0,0|1,0,0]=3 5899 B12R1.28 Cc1cccc(c1)COCC=O 7a_100011217746_200015260668 [0,2,0,0,0,0|1,0,0]=3 5900 B12R1.28 Cc1cccc(c1)CSCC=O 62a_100000211840_200015260668 [0,2,0,0,0,0|1,0,0]=3 5901 B12R1.28 Cc1cccc(c1)CSCC=O 62a_200015260668_100000211840 [0,2,0,0,0,0|1,0,0]=3 5902 B12R1.28 Cc1cccc(n1)CNCC=O 34a_100000701342_200009817547 [0,2,0,0,0,0|1,0,0]=3 5903 B12R1.28 Cc1cccc(n1)COCC=O 34a_100000690600_200009817547 [0,2,0,0,0,0|2,0,0]=4 5904 B12R1.28 Cc1cccc(n1)CSCC=O 62a_100000757606_200015260668 [0,2,0,0,0,0|2,0,0]=4 5905 B12R1.28 Cc1cccc(n1)CSCC=O 62a_200015260668_100000757606 [0,2,0,0,0,0|2,0,0]=4 5906 B12R1.28 Cc1ccnc(c1)COCC=O 34a_100011998357_200009817547 [0,2,0,0,0,0|2,0,0]=4 5907 B12R1.28 Cc1ccnc(c1)CSCC=O 62a_100000718516_200015260668 [0,2,0,0,0,0|2,0,0]=4 5908 B12R1.28 Cc1ccnc(c1)CSCC=O 62a_200015260668_100000718516 [0,2,0,0,0,0|2,0,0]=4 5909 B12R1.28 Cc1ccnc(n1)CNCC=O 2230a_100015186494_200015260668 [0,2,0,0,0,0|2,0,0]=4 5910 B12R1.28 Cc1cncc(c1)CNCC=O 2230a_100000692839_200015260668 [0,2,0,0,0,0|1,0,0]=3 5911 B12R1.28 Cc1cncc(c1)CNCC=O 34a_100000692839_200009817547 [0,2,0,0,0,0|1,0,0]=3 5912 B12R1.28 Cc1cncc(c1)COCC=O 34a_100011998709_200009817547 [0,2,0,0,0,0|2,0,0]=4 5913 B12R1.28 Cc1cncc(c1)COCC=O 7a_100011998709_200015260668 [0,2,0,0,0,0|2,0,0]=4 5914 B12R1.28 Cc1cncc(c1)CSCC=O 62a_100000716715_200015260668 [0,2,0,0,0,0|2,0,0]=4 5915 B12R1.28 Cc1cncc(c1)CSCC=O 62a_200015260668_100000716715 [0,2,0,0,0,0|2,0,0]=4 5916 B12R1.28 FCCNCc1cccc(c1)Br 2230a_100000174977_100011217306 [0,2,0,0,0,0|1,0,1]=4 5917 B12R1.28 FCCNCc1cccc(c1)Br 34a_100000174977_100011217306 [0,2,0,0,0,0|1,0,1]=4 5918 B12R1.28 FCCNCc1cccc(c1)Br 34a_100000724931_100000698116 [0,2,0,0,0,0|1,0,1]=4 5919 B12R1.28 FCCNCc1cccc(c1)Cl 2230a_100000174878_100011217306 [0,2,0,0,0,0|1,0,1]=4 5920 B12R1.28 FCCNCc1cccc(c1)Cl 34a_100000174878_100011217306 [0,2,0,0,0,0|1,0,1]=4 5921 B12R1.28 FCCNCc1cccc(c1)Cl 34a_100000724931_100000187163 [0,2,0,0,0,0|1,0,1]=4 5922 B12R1.28 FCCNCc1cccc(c1)F 2230a_100000174948_100011217306 [0,2,0,0,0,0|1,0,1]=4 5923 B12R1.28 FCCNCc1cccc(c1)F 34a_100000174948_100011217306 [0,2,0,0,0,0|1,0,1]=4 5924 B12R1.28 FCCNCc1cccc(c1)F 34a_100000724931_100000187166 [0,2,0,0,0,0|1,0,1]=4 5925 B12R1.28 FCCNCc1cccc(c1)I 2230a_100000106179_100011217306 [0,2,0,0,0,0|1,0,1]=4 5926 B12R1.28 FCCNCc1cccc(c1)I 34a_100000106179_100011217306 [0,2,0,0,0,0|1,0,1]=4 5927 B12R1.28 FCCNCc1cccc(c1)I 34a_100000724931_100011218688 [0,2,0,0,0,0|1,0,1]=4 5928 B12R1.28 FCNCCc1cccc(c1)Br 34a_100011207229_100015361967 [0,2,0,0,0,0|1,0,1]=4 5929 B12R1.28 FCNCCc1cccc(c1)Cl 34a_100000185263_100015361967 [0,2,0,0,0,0|1,0,1]=4 5930 B12R1.28 FCNCCc1cccc(c1)F 34a_100000205154_100015361967 [0,2,0,0,0,0|1,0,1]=4 5931 B12R1.28 N#CCNCc1cccc(c1)Br 2230a_100000174977_100011215382 [0,2,0,0,0,0|1,0,1]=4 5932 B12R1.28 N#CCNCc1cccc(c1)Cl 2230a_100000174878_100011215382 [0,2,0,0,0,0|1,0,1]=4 5933 B12R1.28 N#CCNCc1cccc(c1)F 2230a_100000174948_100011215382 [0,2,0,0,0,0|1,0,1]=4 5934 B12R1.28 N#CCNCc1cccc(c1)I 2230a_100000106179_100011215382 [0,2,0,0,0,0|1,0,1]=4 5935 B12R1.28 N#CCNCc1cccc(c1)O 2230a_100000743036_100011215382 [0,2,0,0,0,0|1,0,1]=4 5936 B12R1.28 Nc1cccc(c1)COCC=O 34a_100000211919_200009817547 [0,2,0,0,0,0|1,0,0]=3 5937 B12R1.28 Nc1ccnc(c1)COCC=O 34a_100000692640_200009817547 [0,2,0,0,0,0|2,0,0]=4 5938 B12R1.28 Nc1cncc(c1)COCC=O 34a_100000085308_200009817547 [0,2,0,0,0,0|2,0,0]=4 5939 B12R1.28 O=CCNCc1cccc(=O)[nH]1 2230a_100000696482_200015260668 [0,2,0,0,0,0|1,0,0]=3 5940 B12R1.28 O=CCNCc1cccc(c1)Br 2230a_100000174977_200015260668 [0,2,0,0,0,0|0,0,0]=2 5941 B12R1.28 O=CCNCc1cccc(c1)Br 34a_100000174977_200009817547 [0,2,0,0,0,0|0,0,0]=2 5942 B12R1.28 O=CCNCc1cccc(c1)Cl 2230a_100000174878_200015260668 [0,2,0,0,0,0|0,0,0]=2 5943 B12R1.28 O=CCNCc1cccc(c1)Cl 34a_100000174878_200009817547 [0,2,0,0,0,0|0,0,0]=2 5944 B12R1.28 O=CCNCc1cccc(c1)F 2230a_100000174948_200015260668 [0,2,0,0,0,0|0,0,0]=2 5945 B12R1.28 O=CCNCc1cccc(c1)F 34a_100000174948_200009817547 [0,2,0,0,0,0|0,0,0]=2 5946 B12R1.28 O=CCNCc1cccc(c1)I 2230a_100000106179_200015260668 [0,2,0,0,0,0|0,0,0]=2 5947 B12R1.28 O=CCNCc1cccc(c1)I 34a_100000106179_200009817547 [0,2,0,0,0,0|0,0,0]=2 5948 B12R1.28 O=CCNCc1cccc(c1)O 2230a_100000743036_200015260668 [0,2,0,0,0,0|0,0,0]=2 5949 B12R1.28 O=CCNCc1cccc(c1)O 34a_100000743036_200009817547 [0,2,0,0,0,0|0,0,0]=2 5950 B12R1.28 O=CCNCc1cccc(n1)Br 2230a_100016987751_200015260668 [0,2,0,0,0,0|1,0,0]=3 5951 B12R1.28 O=CCNCc1cccc(n1)Cl 2230a_100016990191_200015260668 [0,2,0,0,0,0|1,0,0]=3 5952 B12R1.28 O=CCNCc1cccc(n1)F 2230a_100015188798_200015260668 [0,2,0,0,0,0|1,0,0]=3 5953 B12R1.28 O=CCNCc1cccc(n1)F 34a_100015188798_200009817547 [0,2,0,0,0,0|1,0,0]=3 5954 B12R1.28 O=CCNCc1ccnc(c1)Br 2230a_100025757509_200015260668 [0,2,0,0,0,0|1,0,0]=3 5955 B12R1.28 O=CCNCc1ccnc(c1)Br 34a_100025757509_200009817547 [0,2,0,0,0,0|1,0,0]=3 5956 B12R1.28 O=CCNCc1ccnc(c1)Cl 2230a_100015205668_200015260668 [0,2,0,0,0,0|1,0,0]=3 5957 B12R1.28 O=CCNCc1ccnc(c1)Cl 34a_100015205668_200009817547 [0,2,0,0,0,0|1,0,0]=3 5958 B12R1.28 O=CCNCc1ccnc(c1)F 2230a_100015188774_200015260668 [0,2,0,0,0,0|1,0,0]=3 5959 B12R1.28 O=CCNCc1ccnc(c1)F 34a_100015188774_200009817547 [0,2,0,0,0,0|1,0,0]=3 5960 B12R1.28 O=CCNCc1cncc(c1)Cl 2230a_200020614424_200015260668 [0,2,0,0,0,0|1,0,0]=3 5961 B12R1.28 O=CCNCc1cncc(c1)F 2230a_100011962886_200015260668 [0,2,0,0,0,0|1,0,0]=3 5962 B12R1.28 O=CCNCc1cncc(c1)F 34a_100011962886_200009817547 [0,2,0,0,0,0|1,0,0]=3 5963 B12R1.28 O=CCOCc1cc(ccn1)Cl 34a_100000748867_200009817547 [0,2,0,0,0,0|2,0,0]=4 5964 B12R1.28 O=CCOCc1ccc[n+](c1)[O-] 34a_100000037817_200009817547 [0,2,0,0,0,0|2,0,0]=4 5965 B12R1.28 O=CCOCc1ccc[n+](c1)[O-] 7a_100000037817_200015260668 [0,2,0,0,0,0|2,0,0]=4 5966 B12R1.28 O=CCOCc1cccc(c1)Br 34a_100000687537_200009817547 [0,2,0,0,0,0|1,0,0]=3 5967 B12R1.28 O=CCOCc1cccc(c1)Br 7a_100000687537_200015260668 [0,2,0,0,0,0|1,0,0]=3 5968 B12R1.28 O=CCOCc1cccc(c1)Cl 34a_100000241301_200009817547 [0,2,0,0,0,0|1,0,0]=3 5969 B12R1.28 O=CCOCc1cccc(c1)Cl 7a_100000241301_200015260668 [0,2,0,0,0,0|1,0,0]=3 5970 B12R1.28 O=CCOCc1cccc(c1)F 34a_100000210976_200009817547 [0,2,0,0,0,0|1,0,0]=3 5971 B12R1.28 O=CCOCc1cccc(c1)F 7a_100000210976_200015260668 [0,2,0,0,0,0|1,0,0]=3 5972 B12R1.28 O=CCOCc1cccc(c1)I 34a_100011215336_200009817547 [0,2,0,0,0,0|1,0,0]=3 5973 B12R1.28 O=CCOCc1cccc(c1)I 7a_100011215336_200015260668 [0,2,0,0,0,0|1,0,0]=3 5974 B12R1.28 O=CCOCc1cccc(n1)Br 34a_100000694195_200009817547 [0,2,0,0,0,0|2,0,0]=4 5975 B12R1.28 O=CCOCc1cccc(n1)Cl 34a_100011998359_200009817547 [0,2,0,0,0,0|2,0,0]=4 5976 B12R1.28 O=CCOCc1cccc(n1)F 34a_100000086748_200009817547 [0,2,0,0,0,0|2,0,0]=4 5977 B12R1.28 O=CCOCc1ccnc(c1)Br 34a_100009814636_200009817547 [0,2,0,0,0,0|2,0,0]=4 5978 B12R1.28 O=CCOCc1ccnc(c1)Br 7a_100009814636_200015260668 [0,2,0,0,0,0|2,0,0]=4 5979 B12R1.28 O=CCOCc1ccnc(c1)Cl 34a_100000748751_200009817547 [0,2,0,0,0,0|2,0,0]=4 5980 B12R1.28 O=CCOCc1ccnc(c1)F 34a_100000082451_200009817547 [0,2,0,0,0,0|2,0,0]=4 5981 B12R1.28 O=CCOCc1cncc(c1)Br 34a_100011259137_200009817547 [0,2,0,0,0,0|2,0,0]=4 5982 B12R1.28 O=CCOCc1cncc(c1)Br 7a_100011259137_200015260668 [0,2,0,0,0,0|2,0,0]=4 5983 B12R1.28 O=CCOCc1cncc(c1)Cl 34a_100000092867_200009817547 [0,2,0,0,0,0|2,0,0]=4 5984 B12R1.28 O=CCOCc1cncc(c1)Cl 7a_100000092867_200015260668 [0,2,0,0,0,0|2,0,0]=4 5985 B12R1.28 O=CCOCc1cncc(c1)F 34a_100011962875_200009817547 [0,2,0,0,0,0|2,0,0]=4 5986 B12R1.28 O=CCOCc1cncc(c1)F 7a_100011962875_200015260668 [0,2,0,0,0,0|2,0,0]=4 5987 B12R1.28 O=CCSCc1cc(ccn1)Br 62a_100010173614_200015260668 [0,2,0,0,0,0|2,0,0]=4 5988 B12R1.28 O=CCSCc1cc(ccn1)Br 62a_200015260668_100010173614 [0,2,0,0,0,0|2,0,0]=4 5989 B12R1.28 O=CCSCc1cc(ccn1)Cl 62a_100016988179_200015260668 [0,2,0,0,0,0|2,0,0]=4 5990 B12R1.28 O=CCSCc1cc(ccn1)Cl 62a_200015260668_100016988179 [0,2,0,0,0,0|2,0,0]=4 5991 B12R1.28 O=CCSCc1cccc(c1)Br 62a_100000211773_200015260668 [0,2,0,0,0,0|1,0,0]=3 5992 B12R1.28 O=CCSCc1cccc(c1)Br 62a_200015260668_100000211773 [0,2,0,0,0,0|1,0,0]=3 5993 B12R1.28 O=CCSCc1cccc(c1)Cl 62a_100000187163_200015260668 [0,2,0,0,0,0|1,0,0]=3 5994 B12R1.28 O=CCSCc1cccc(c1)Cl 62a_200015260668_100000187163 [0,2,0,0,0,0|1,0,0]=3 5995 B12R1.28 O=CCSCc1cccc(c1)F 62a_100000230114_200015260668 [0,2,0,0,0,0|1,0,0]=3 5996 B12R1.28 O=CCSCc1cccc(c1)F 62a_200015260668_100000230114 [0,2,0,0,0,0|1,0,0]=3 5997 B12R1.28 O=CCSCc1cccc(c1)I 62a_100011218688_200015260668 [0,2,0,0,0,0|1,0,0]=3 5998 B12R1.28 O=CCSCc1cccc(c1)I 62a_200015260668_100011218688 [0,2,0,0,0,0|1,0,0]=3 5999 B12R1.28 O=CCSCc1cccc(c1)O 62a_100011660834_200015260668 [0,2,0,0,0,0|1,0,0]=3 6000 B12R1.28 O=CCSCc1cccc(c1)O 62a_200015260668_100011660834 [0,2,0,0,0,0|1,0,0]=3 6001 B12R1.28 O=CCSCc1cccc(n1)Br 62a_100009889011_200015260668 [0,2,0,0,0,0|2,0,0]=4 6002 B12R1.28 O=CCSCc1cccc(n1)Br 62a_200015260668_100009889011 [0,2,0,0,0,0|2,0,0]=4 6003 B12R1.28 O=CCSCc1cccc(n1)Cl 62a_100000086093_200015260668 [0,2,0,0,0,0|2,0,0]=4 6004 B12R1.28 O=CCSCc1cccc(n1)Cl 62a_200015260668_100000086093 [0,2,0,0,0,0|2,0,0]=4 6005 B12R1.28 O=CCSCc1cccc(n1)F 62a_100009819644_200015260668 [0,2,0,0,0,0|2,0,0]=4 6006 B12R1.28 O=CCSCc1cccc(n1)F 62a_200015260668_100009819644 [0,2,0,0,0,0|2,0,0]=4 6007 B12R1.28 O=CCSCc1ccnc(c1)Br 62a_100010254460_200015260668 [0,2,0,0,0,0|2,0,0]=4 6008 B12R1.28 O=CCSCc1ccnc(c1)Br 62a_200015260668_100010243470 [0,2,0,0,0,0|2,0,0]=4 6009 B12R1.28 O=CCSCc1ccnc(c1)Cl 62a_100000764220_200015260668 [0,2,0,0,0,0|2,0,0]=4 6010 B12R1.28 O=CCSCc1ccnc(c1)Cl 62a_200015260668_100000764220 [0,2,0,0,0,0|2,0,0]=4 6011 B12R1.28 O=CCSCc1cncc(c1)Br 62a_100000738771_200015260668 [0,2,0,0,0,0|2,0,0]=4 6012 B12R1.28 O=CCSCc1cncc(c1)Br 62a_200015260668_100000738771 [0,2,0,0,0,0|2,0,0]=4 6013 B12R1.28 O=CCSCc1cncc(c1)Cl 62a_100016992070_200015260668 [0,2,0,0,0,0|2,0,0]=4 6014 B12R1.28 O=CCSCc1cncc(c1)Cl 62a_200015260668_100016992070 [0,2,0,0,0,0|2,0,0]=4 6015 B12R1.28 O=CCSCc1cncc(c1)F 62a_100000725299_200015260668 [0,2,0,0,0,0|2,0,0]=4 6016 B12R1.28 O=CCSCc1cncc(c1)F 62a_200015260668_100000725299 [0,2,0,0,0,0|2,0,0]=4 6017 B12R1.28 OCCNCc1cccc(c1)Br 207a_100000210304_100000210085 [0,2,0,0,0,0|0,0,2]=4 6018 B12R1.28 OCCNCc1cccc(c1)Br 2230a_100000174977_100000211926 [0,2,0,0,0,0|0,0,2]=4 6019 B12R1.28 OCCNCc1cccc(c1)Br 2230a_100016997473_100000698116 [0,2,0,0,0,0|0,0,2]=4 6020 B12R1.28 OCCNCc1cccc(c1)Br 270004a_100000210304_100000210085 [0,2,0,0,0,0|0,0,2]=4 6021 B12R1.28 OCCNCc1cccc(c1)Br 34a_100000174977_100000211926 [0,2,0,0,0,0|0,0,2]=4 6022 B12R1.28 OCCNCc1cccc(c1)Br 34a_100016990907_100000698116 [0,2,0,0,0,0|0,0,2]=4 6023 B12R1.28 OCCNCc1cccc(c1)Cl 207a_100000210304_100000210801 [0,2,0,0,0,0|0,0,2]=4 6024 B12R1.28 OCCNCc1cccc(c1)Cl 2230a_100000174878_100000211926 [0,2,0,0,0,0|0,0,2]=4 6025 B12R1.28 OCCNCc1cccc(c1)Cl 2230a_100016997473_100000181238 [0,2,0,0,0,0|0,0,2]=4 6026 B12R1.28 OCCNCc1cccc(c1)Cl 270004a_100000210304_100000210801 [0,2,0,0,0,0|0,0,2]=4 6027 B12R1.28 OCCNCc1cccc(c1)Cl 34a_100000174878_100000211926 [0,2,0,0,0,0|0,0,2]=4 6028 B12R1.28 OCCNCc1cccc(c1)Cl 34a_100016990907_100000187163 [0,2,0,0,0,0|0,0,2]=4 6029 B12R1.28 OCCNCc1cccc(c1)F 207a_100000210304_100000210812 [0,2,0,0,0,0|0,0,2]=4 6030 B12R1.28 OCCNCc1cccc(c1)F 2230a_100000174948_100000211926 [0,2,0,0,0,0|0,0,2]=4 6031 B12R1.28 OCCNCc1cccc(c1)F 2230a_100016997473_100000230114 [0,2,0,0,0,0|0,0,2]=4 6032 B12R1.28 OCCNCc1cccc(c1)F 270004a_100000210304_100000210812 [0,2,0,0,0,0|0,0,2]=4 6033 B12R1.28 OCCNCc1cccc(c1)F 34a_100000174948_100000211926 [0,2,0,0,0,0|0,0,2]=4 6034 B12R1.28 OCCNCc1cccc(c1)F 34a_100016990907_100000187166 [0,2,0,0,0,0|0,0,2]=4 6035 B12R1.28 OCCNCc1cccc(c1)I 207a_100000210304_100000014684 [0,2,0,0,0,0|0,0,2]=4 6036 B12R1.28 OCCNCc1cccc(c1)I 2230a_100000106179_100000211926 [0,2,0,0,0,0|0,0,2]=4 6037 B12R1.28 OCCNCc1cccc(c1)I 2230a_100016997473_100011218688 [0,2,0,0,0,0|0,0,2]=4 6038 B12R1.28 OCCNCc1cccc(c1)I 270004a_100000210304_100000014684 [0,2,0,0,0,0|0,0,2]=4 6039 B12R1.28 OCCNCc1cccc(c1)I 34a_100000106179_100000211926 [0,2,0,0,0,0|0,0,2]=4 6040 B12R1.28 OCCNCc1cccc(c1)I 34a_100016990907_100011218688 [0,2,0,0,0,0|0,0,2]=4 6041 B12R1.28 OCCNCc1cccc(c1)O 207a_100000210304_100000188321 [0,2,0,0,0,0|0,0,2]=4 6042 B12R1.28 OCCNCc1cccc(c1)O 2230a_100000743036_100000211926 [0,2,0,0,0,0|0,0,2]=4 6043 B12R1.28 OCCNCc1cccc(c1)O 2230a_100016997473_100011660834 [0,2,0,0,0,0|0,0,2]=4 6044 B12R1.28 OCCNCc1cccc(c1)O 270004a_100000210304_100000188321 [0,2,0,0,0,0|0,0,2]=4 6045 B12R1.28 OCCNCc1cccc(c1)O 34a_100000743036_100000211926 [0,2,0,0,0,0|0,0,2]=4 6046 B12R1.28 OCCNCc1cccc(c1)O 34a_100016990907_100011660834 [0,2,0,0,0,0|0,0,2]=4 6047 B12R1.28 Oc1cccc(c1)CCNCF 34a_100000747277_100015361967 [0,2,0,0,0,0|1,0,1]=4 6048 B12R1.28 Oc1cccc(c1)CNCCF 2230a_100000743036_100011217306 [0,2,0,0,0,0|1,0,1]=4 6049 B12R1.28 Oc1cccc(c1)CNCCF 34a_100000724931_100011660834 [0,2,0,0,0,0|1,0,1]=4 6050 B12R1.28 Oc1cccc(c1)CNCCF 34a_100000743036_100011217306 [0,2,0,0,0,0|1,0,1]=4 6051 B12R1.50 C=CC(=O)Cc1cccc(c1)Br 1458a_100000185746_100000211773 [0,2,0,0,0,0|2,0,0]=4 6052 B12R1.50 C=CC(=O)Cc1cccc(c1)C 1458a_100000185746_100000211840 [0,2,0,0,0,0|2,0,0]=4 6053 B12R1.50 C=CC(=O)Cc1cccc(c1)Cl 1458a_100000185746_100000181238 [0,2,0,0,0,0|2,0,0]=4 6054 B12R1.50 C=CC(=O)Cc1cccc(c1)F 1458a_100000185746_100000230114 [0,2,0,0,0,0|2,0,0]=4 6055 B12R1.50 C=CC(=O)Cc1cccc(c1)I 1458a_100000185746_100011218688 [0,2,0,0,0,0|2,0,0]=4 6056 B12R1.50 C=CC(=O)Cc1cccc(c1)O 1458a_100000185746_100011660834 [0,2,0,0,0,0|2,0,0]=4 6057 B12R1.50 CCN(C)Cc1cccc(c1)Br 2230a_100000187426_200000210301 [0,2,0,0,0,0|1,0,1]=4 6058 B12R1.50 CCN(C)Cc1cccc(c1)Br 2230a_100000187585_100000210202 [0,2,0,0,0,0|1,0,1]=4 6059 B12R1.50 CCN(C)Cc1cccc(c1)Br 2230a_100000225621_100000698116 [0,2,0,0,0,0|1,0,1]=4 6060 B12R1.50 CCN(C)Cc1cccc(c1)Br 269982a_100000187426_200000210301 [0,2,0,0,0,0|1,0,1]=4 6061 B12R1.50 CCN(C)Cc1cccc(c1)Br 269982a_100000187585_100000204670 [0,2,0,0,0,0|1,0,1]=4 6062 B12R1.50 CCN(C)Cc1cccc(c1)Br 269982a_100000225621_100000211773 [0,2,0,0,0,0|1,0,1]=4 6063 B12R1.50 CCN(C)Cc1cccc(c1)Br 26a_100000225621_100000210342 [0,2,0,0,0,0|1,0,1]=4 6064 B12R1.50 CCN(C)Cc1cccc(c1)C 2230a_100000225621_100000211840 [0,2,0,0,0,0|1,0,1]=4 6065 B12R1.50 CCN(C)Cc1cccc(c1)C 2230a_102495364743_100000210202 [0,2,0,0,0,0|1,0,1]=4 6066 B12R1.50 CCN(C)Cc1cccc(c1)C 2230a_102516607250_200000210301 [0,2,0,0,0,0|1,0,1]=4 6067 B12R1.50 CCN(C)Cc1cccc(c1)C 269982a_100000225621_100000211840 [0,2,0,0,0,0|1,0,1]=4 6068 B12R1.50 CCN(C)Cc1cccc(c1)C 269982a_102495364743_100000204670 [0,2,0,0,0,0|1,0,1]=4 6069 B12R1.50 CCN(C)Cc1cccc(c1)C 269982a_102516607250_200000210301 [0,2,0,0,0,0|1,0,1]=4 6070 B12R1.50 CCN(C)Cc1cccc(c1)C 34a_102495364743_100000210202 [0,2,0,0,0,0|1,0,1]=4 6071 B12R1.50 CCN(C)Cc1cccc(c1)Cl 2230a_100000201194_200000210301 [0,2,0,0,0,0|1,0,1]=4 6072 B12R1.50 CCN(C)Cc1cccc(c1)Cl 2230a_100000225621_100000181238 [0,2,0,0,0,0|1,0,1]=4 6073 B12R1.50 CCN(C)Cc1cccc(c1)Cl 2230a_100020629429_100000210202 [0,2,0,0,0,0|1,0,1]=4 6074 B12R1.50 CCN(C)Cc1cccc(c1)Cl 269982a_100000201194_200000210301 [0,2,0,0,0,0|1,0,1]=4 6075 B12R1.50 CCN(C)Cc1cccc(c1)Cl 269982a_100000225621_100000181238 [0,2,0,0,0,0|1,0,1]=4 6076 B12R1.50 CCN(C)Cc1cccc(c1)Cl 269982a_100020629429_100000204670 [0,2,0,0,0,0|1,0,1]=4 6077 B12R1.50 CCN(C)Cc1cccc(c1)F 2230a_100000184398_100000210202 [0,2,0,0,0,0|1,0,1]=4 6078 B12R1.50 CCN(C)Cc1cccc(c1)F 2230a_100000195558_200000210301 [0,2,0,0,0,0|1,0,1]=4 6079 B12R1.50 CCN(C)Cc1cccc(c1)F 2230a_100000225621_100000230114 [0,2,0,0,0,0|1,0,1]=4 6080 B12R1.50 CCN(C)Cc1cccc(c1)F 269982a_100000184398_100000204670 [0,2,0,0,0,0|1,0,1]=4 6081 B12R1.50 CCN(C)Cc1cccc(c1)F 269982a_100000195558_200000210301 [0,2,0,0,0,0|1,0,1]=4 6082 B12R1.50 CCN(C)Cc1cccc(c1)F 269982a_100000225621_100000230114 [0,2,0,0,0,0|1,0,1]=4 6083 B12R1.50 CCN(C)Cc1cccc(c1)F 34a_100000184398_100000210202 [0,2,0,0,0,0|1,0,1]=4 6084 B12R1.50 CCN(C)Cc1cccc(c1)F 34a_100000195558_200000210301 [0,2,0,0,0,0|1,0,1]=4 6085 B12R1.50 CCN(C)Cc1cccc(c1)I 2230a_100000225621_100011218688 [0,2,0,0,0,0|1,0,1]=4 6086 B12R1.50 CCN(C)Cc1cccc(c1)I 269982a_100000225621_100011218688 [0,2,0,0,0,0|1,0,1]=4 6087 B12R1.50 CCN(C)Cc1cccc(c1)O 2230a_100000201218_200000210301 [0,2,0,0,0,0|1,0,1]=4 6088 B12R1.50 CCN(C)Cc1cccc(c1)O 2230a_100000207540_100000210202 [0,2,0,0,0,0|1,0,1]=4 6089 B12R1.50 CCN(C)Cc1cccc(c1)O 2230a_100000225621_100011660834 [0,2,0,0,0,0|1,0,1]=4 6090 B12R1.50 CCN(C)Cc1cccc(c1)O 269982a_100000201218_200000210301 [0,2,0,0,0,0|1,0,1]=4 6091 B12R1.50 CCN(C)Cc1cccc(c1)O 269982a_100000207540_100000204670 [0,2,0,0,0,0|1,0,1]=4 6092 B12R1.50 CCN(C)Cc1cccc(c1)O 269982a_100000225621_100000084143 [0,2,0,0,0,0|1,0,1]=4 6093 B12R1.50 CCN([13CH3])Cc1cccc(c1)Br 2230a_100000187426_200025704644 [0,2,0,0,0,0|1,0,1]=4 6094 B12R1.50 CCN([13CH3])Cc1cccc(c1)Br 269982a_100000187426_200025704644 [0,2,0,0,0,0|1,0,1]=4 6095 B12R1.50 CCN([13CH3])Cc1cccc(c1)C 2230a_102516607250_200025704644 [0,2,0,0,0,0|1,0,1]=4 6096 B12R1.50 CCN([13CH3])Cc1cccc(c1)C 269982a_102516607250_200025704644 [0,2,0,0,0,0|1,0,1]=4 6097 B12R1.50 CCN([13CH3])Cc1cccc(c1)Cl 2230a_100000201194_200025704644 [0,2,0,0,0,0|1,0,1]=4 6098 B12R1.50 CCN([13CH3])Cc1cccc(c1)Cl 269982a_100000201194_200025704644 [0,2,0,0,0,0|1,0,1]=4 6099 B12R1.50 CCN([13CH3])Cc1cccc(c1)F 2230a_100000195558_200025704644 [0,2,0,0,0,0|1,0,1]=4 6100 B12R1.50 CCN([13CH3])Cc1cccc(c1)F 269982a_100000195558_200025704644 [0,2,0,0,0,0|1,0,1]=4 6101 B12R1.50 CCN([13CH3])Cc1cccc(c1)F 34a_100000195558_200025704644 [0,2,0,0,0,0|1,0,1]=4 6102 B12R1.50 CCN([13CH3])Cc1cccc(c1)O 2230a_100000201218_200025704644 [0,2,0,0,0,0|1,0,1]=4 6103 B12R1.50 CCN([13CH3])Cc1cccc(c1)O 269982a_100000201218_200025704644 [0,2,0,0,0,0|1,0,1]=4 6104 B12R1.50 CN(CF)Cc1cccc(c1)Br 269982a_100000187585_100015361967 [0,2,0,0,0,0|1,0,1]=4 6105 B12R1.50 CN(CF)Cc1cccc(c1)Cl 269982a_100020629429_100015361967 [0,2,0,0,0,0|1,0,1]=4 6106 B12R1.50 CN(CF)Cc1cccc(c1)F 269982a_100000184398_100015361967 [0,2,0,0,0,0|1,0,1]=4 6107 B12R1.50 CN(CF)Cc1cccc(c1)F 34a_100000184398_100015361967 [0,2,0,0,0,0|1,0,1]=4 6108 B12R1.50 CN(CF)Cc1cccc(c1)O 269982a_100000207540_100015361967 [0,2,0,0,0,0|1,0,1]=4 6109 B12R1.50 Cc1cccc(c1)CN(C)CF 269982a_102495364743_100015361967 [0,2,0,0,0,0|1,0,1]=4 6110 B12R1.50 Cc1cccc(c1)CN(C)CF 34a_102495364743_100015361967 [0,2,0,0,0,0|1,0,1]=4 6111 B12R1.100 CCNCc1cc(cc(c1)Br)Br 207a_100015525214_100000719502 [0,2,0,0,0,0|1,0,1]=4 6112 B12R1.100 CCNCc1cc(cc(c1)Br)Br 2230a_100015211796_100000210202 [0,2,0,0,0,0|1,0,1]=4 6113 B12R1.100 CCNCc1cc(cc(c1)Br)Br 2230a_100015525214_100011216082 [0,2,0,0,0,0|1,0,1]=4 6114 B12R1.100 CCNCc1cc(cc(c1)Br)Br 269862a_100015525214_100000719502 [0,2,0,0,0,0|1,0,1]=4 6115 B12R1.100 CCNCc1cc(cc(c1)Br)Br 270004a_100015525214_100000719502 [0,2,0,0,0,0|1,0,1]=4 6116 B12R1.100 CCNCc1cc(cc(c1)Br)Br 34a_100015211796_100000210202 [0,2,0,0,0,0|1,0,1]=4 6117 B12R1.100 CCNCc1cc(cc(c1)Br)C 207a_100015525214_100000686105 [0,2,0,0,0,0|1,0,1]=4 6118 B12R1.100 CCNCc1cc(cc(c1)Br)C 2230a_100015525214_100012348363 [0,2,0,0,0,0|1,0,1]=4 6119 B12R1.100 CCNCc1cc(cc(c1)Br)C 269862a_100015525214_100000686105 [0,2,0,0,0,0|1,0,1]=4 6120 B12R1.100 CCNCc1cc(cc(c1)Br)C 270004a_100015525214_100000686105 [0,2,0,0,0,0|1,0,1]=4 6121 B12R1.100 CCNCc1cc(cc(c1)Br)Cl 207a_100015525214_100011934515 [0,2,0,0,0,0|1,0,1]=4 6122 B12R1.100 CCNCc1cc(cc(c1)Br)Cl 269862a_100015525214_100011934515 [0,2,0,0,0,0|1,0,1]=4 6123 B12R1.100 CCNCc1cc(cc(c1)Br)Cl 270004a_100015525214_100011934515 [0,2,0,0,0,0|1,0,1]=4 6124 B12R1.100 CCNCc1cc(cc(c1)Br)F 207a_100015525214_100011794424 [0,2,0,0,0,0|1,0,1]=4 6125 B12R1.100 CCNCc1cc(cc(c1)Br)F 2230a_100015525214_100000766940 [0,2,0,0,0,0|1,0,1]=4 6126 B12R1.100 CCNCc1cc(cc(c1)Br)F 2230a_100020611034_100000210202 [0,2,0,0,0,0|1,0,1]=4 6127 B12R1.100 CCNCc1cc(cc(c1)Br)F 269862a_100015525214_100011794424 [0,2,0,0,0,0|1,0,1]=4 6128 B12R1.100 CCNCc1cc(cc(c1)Br)F 270004a_100015525214_100011794424 [0,2,0,0,0,0|1,0,1]=4 6129 B12R1.100 CCNCc1cc(cc(c1)Br)F 34a_100020611034_100000210202 [0,2,0,0,0,0|1,0,1]=4 6130 B12R1.100 CCNCc1cc(cc(c1)Br)O 207a_100015525214_100010176088 [0,2,0,0,0,0|1,0,1]=4 6131 B12R1.100 CCNCc1cc(cc(c1)Br)O 270004a_100015525214_100010176088 [0,2,0,0,0,0|1,0,1]=4 6132 B12R1.100 CCNCc1cc(cc(c1)C)C 207a_100015525214_100000745632 [0,2,0,0,0,0|1,0,1]=4 6133 B12R1.100 CCNCc1cc(cc(c1)C)C 2230a_100015525214_100000181317 [0,2,0,0,0,0|1,0,1]=4 6134 B12R1.100 CCNCc1cc(cc(c1)C)C 2230a_100020591340_100000210202 [0,2,0,0,0,0|1,0,1]=4 6135 B12R1.100 CCNCc1cc(cc(c1)C)C 270004a_100015525214_100000745632 [0,2,0,0,0,0|1,0,1]=4 6136 B12R1.100 CCNCc1cc(cc(c1)C)C 34a_100020591340_100000210202 [0,2,0,0,0,0|1,0,1]=4 6137 B12R1.100 CCNCc1cc(cc(c1)Cl)C 207a_100015525214_100000684525 [0,2,0,0,0,0|1,0,1]=4 6138 B12R1.100 CCNCc1cc(cc(c1)Cl)C 270004a_100015525214_100000684525 [0,2,0,0,0,0|1,0,1]=4 6139 B12R1.100 CCNCc1cc(cc(c1)Cl)Cl 207a_100015525214_100000741761 [0,2,0,0,0,0|1,0,1]=4 6140 B12R1.100 CCNCc1cc(cc(c1)Cl)Cl 2230a_100011211636_100000210202 [0,2,0,0,0,0|1,0,1]=4 6141 B12R1.100 CCNCc1cc(cc(c1)Cl)Cl 2230a_100015525214_100000685807 [0,2,0,0,0,0|1,0,1]=4 6142 B12R1.100 CCNCc1cc(cc(c1)Cl)Cl 270004a_100015525214_100000741761 [0,2,0,0,0,0|1,0,1]=4 6143 B12R1.100 CCNCc1cc(cc(c1)Cl)Cl 34a_100011211636_100000210202 [0,2,0,0,0,0|1,0,1]=4 6144 B12R1.100 CCNCc1cc(cc(c1)Cl)F 207a_100015525214_100000703917 [0,2,0,0,0,0|1,0,1]=4 6145 B12R1.100 CCNCc1cc(cc(c1)Cl)F 2230a_100015525214_100011219885 [0,2,0,0,0,0|1,0,1]=4 6146 B12R1.100 CCNCc1cc(cc(c1)Cl)F 2230a_100137329012_100000210202 [0,2,0,0,0,0|1,0,1]=4 6147 B12R1.100 CCNCc1cc(cc(c1)Cl)F 269862a_100015525214_100000703917 [0,2,0,0,0,0|1,0,1]=4 6148 B12R1.100 CCNCc1cc(cc(c1)Cl)F 270004a_100015525214_100000703917 [0,2,0,0,0,0|1,0,1]=4 6149 B12R1.100 CCNCc1cc(cc(c1)Cl)F 34a_100137329012_100000210202 [0,2,0,0,0,0|1,0,1]=4 6150 B12R1.100 CCNCc1cc(cc(c1)Cl)O 207a_100015525214_100000050827 [0,2,0,0,0,0|1,0,1]=4 6151 B12R1.100 CCNCc1cc(cc(c1)Cl)O 2230a_107254831445_100000210202 [0,2,0,0,0,0|1,0,1]=4 6152 B12R1.100 CCNCc1cc(cc(c1)Cl)O 270004a_100015525214_100000050827 [0,2,0,0,0,0|1,0,1]=4 6153 B12R1.100 CCNCc1cc(cc(c1)Cl)O 34a_107254831445_100000210202 [0,2,0,0,0,0|1,0,1]=4 6154 B12R1.100 CCNCc1cc(cc(c1)F)C 207a_100015525214_100011217087 [0,2,0,0,0,0|1,0,1]=4 6155 B12R1.100 CCNCc1cc(cc(c1)F)C 2230a_100011830484_100000210202 [0,2,0,0,0,0|1,0,1]=4 6156 B12R1.100 CCNCc1cc(cc(c1)F)C 2230a_100015525214_100011219130 [0,2,0,0,0,0|1,0,1]=4 6157 B12R1.100 CCNCc1cc(cc(c1)F)C 270004a_100015525214_100011217087 [0,2,0,0,0,0|1,0,1]=4 6158 B12R1.100 CCNCc1cc(cc(c1)F)C 34a_100011830484_100000210202 [0,2,0,0,0,0|1,0,1]=4 6159 B12R1.100 CCNCc1cc(cc(c1)F)F 207a_100015525214_100000743029 [0,2,0,0,0,0|1,0,1]=4 6160 B12R1.100 CCNCc1cc(cc(c1)F)F 2230a_100000737602_100000210202 [0,2,0,0,0,0|1,0,1]=4 6161 B12R1.100 CCNCc1cc(cc(c1)F)F 2230a_100015525214_100000697002 [0,2,0,0,0,0|1,0,1]=4 6162 B12R1.100 CCNCc1cc(cc(c1)F)F 269862a_100015525214_100000743029 [0,2,0,0,0,0|1,0,1]=4 6163 B12R1.100 CCNCc1cc(cc(c1)F)F 270004a_100015525214_100000743029 [0,2,0,0,0,0|1,0,1]=4 6164 B12R1.100 CCNCc1cc(cc(c1)F)F 34a_100000737602_100000210202 [0,2,0,0,0,0|1,0,1]=4 6165 B12R1.100 CCNCc1cc(cc(c1)F)O 207a_100015525214_100000703664 [0,2,0,0,0,0|1,0,1]=4 6166 B12R1.100 CCNCc1cc(cc(c1)F)O 2230a_100160469513_100000210202 [0,2,0,0,0,0|1,0,1]=4 6167 B12R1.100 CCNCc1cc(cc(c1)F)O 270004a_100015525214_100000703664 [0,2,0,0,0,0|1,0,1]=4 6168 B12R1.100 CCNCc1cc(cc(c1)F)O 34a_100160469513_100000210202 [0,2,0,0,0,0|1,0,1]=4 6169 B12R1.100 CCNCc1cc(cc(c1)I)Br 207a_100015525214_100010185649 [0,2,0,0,0,0|1,0,1]=4 6170 B12R1.100 CCNCc1cc(cc(c1)I)Br 2230a_100015525214_100010146614 [0,2,0,0,0,0|1,0,1]=4 6171 B12R1.100 CCNCc1cc(cc(c1)I)Br 269862a_100015525214_100010185649 [0,2,0,0,0,0|1,0,1]=4 6172 B12R1.100 CCNCc1cc(cc(c1)I)Br 270004a_100015525214_100010185649 [0,2,0,0,0,0|1,0,1]=4 6173 B12R1.100 CCNCc1cc(cc(c1)I)F 207a_100015525214_100010185655 [0,2,0,0,0,0|1,0,1]=4 6174 B12R1.100 CCNCc1cc(cc(c1)I)F 2230a_100015525214_100010149605 [0,2,0,0,0,0|1,0,1]=4 6175 B12R1.100 CCNCc1cc(cc(c1)I)F 269862a_100015525214_100010185655 [0,2,0,0,0,0|1,0,1]=4 6176 B12R1.100 CCNCc1cc(cc(c1)I)F 270004a_100015525214_100010185655 [0,2,0,0,0,0|1,0,1]=4 6177 B12R1.100 CCNCc1cc(cc(c1)I)I 207a_100015525214_100010185653 [0,2,0,0,0,0|1,0,1]=4 6178 B12R1.100 CCNCc1cc(cc(c1)I)I 269862a_100015525214_100010185653 [0,2,0,0,0,0|1,0,1]=4 6179 B12R1.100 CCNCc1cc(cc(c1)O)C 207a_100015525214_100009853434 [0,2,0,0,0,0|1,0,1]=4 6180 B12R1.100 CCNCc1cc(cc(c1)O)C 270004a_100015525214_100009853434 [0,2,0,0,0,0|1,0,1]=4 6181 B12R1.100 CCNCc1cc(cc(c1)O)O 207a_100015525214_100000043415 [0,2,0,0,0,0|1,0,1]=4 6182 B12R1.100 CCNCc1cc(cc(c1)O)O 2230a_100159270720_100000210202 [0,2,0,0,0,0|1,0,1]=4 6183 B12R1.100 CCNCc1cc(cc(c1)O)O 34a_100159270720_100000210202 [0,2,0,0,0,0|1,0,1]=4 6184 B12R1.100 Cc1cc(cc(c1)CNCF)C 34a_100020591340_100015361967 [0,2,0,0,0,0|1,0,1]=4 6185 B12R1.100 Cc1cc(cc(c1)CNCF)F 34a_100011830484_100015361967 [0,2,0,0,0,0|1,0,1]=4 6186 B12R1.100 Cc1cc(cc(c1)NCC=O)Br 34a_100000695972_200009817547 [0,2,0,0,0,0|2,0,0]=4 6187 B12R1.100 Cc1cc(cc(c1)NCC=O)Br 7a_100000695972_200015260668 [0,2,0,0,0,0|2,0,0]=4 6188 B12R1.100 Cc1cc(cc(c1)NCC=O)C 2230a_100000210930_200015260668 [0,2,0,0,0,0|2,0,0]=4 6189 B12R1.100 Cc1cc(cc(c1)NCC=O)C 34a_100000210930_200009817547 [0,2,0,0,0,0|2,0,0]=4 6190 B12R1.100 Cc1cc(cc(c1)NCC=O)C 7a_100000210930_200015260668 [0,2,0,0,0,0|2,0,0]=4 6191 B12R1.100 Cc1cc(cc(c1)NCC=O)Cl 2230a_100012022512_200015260668 [0,2,0,0,0,0|2,0,0]=4 6192 B12R1.100 Cc1cc(cc(c1)NCC=O)Cl 34a_100012022512_200009817547 [0,2,0,0,0,0|2,0,0]=4 6193 B12R1.100 Cc1cc(cc(c1)NCC=O)Cl 7a_100012022512_200015260668 [0,2,0,0,0,0|2,0,0]=4 6194 B12R1.100 Cc1cc(cc(c1)NCC=O)F 2230a_100000742734_200015260668 [0,2,0,0,0,0|2,0,0]=4 6195 B12R1.100 Cc1cc(cc(c1)NCC=O)F 34a_100000742734_200009817547 [0,2,0,0,0,0|2,0,0]=4 6196 B12R1.100 Cc1cc(cc(c1)NCC=O)F 7a_100000742734_200015260668 [0,2,0,0,0,0|2,0,0]=4 6197 B12R1.100 Cc1cc(cc(c1)NCC=O)O 34a_100011995906_200009817547 [0,2,0,0,0,0|2,0,0]=4 6198 B12R1.100 Cc1cc(cc(c1)NCC=O)O 7a_100011995906_200015260668 [0,2,0,0,0,0|2,0,0]=4 6199 B12R1.100 Cc1cc(cc(c1)OCC=O)Br 34a_100011999630_200009817547 [0,2,0,0,0,0|2,0,0]=4 6200 B12R1.100 Cc1cc(cc(c1)OCC=O)Br 7a_100011999630_200015260668 [0,2,0,0,0,0|2,0,0]=4 6201 B12R1.100 Cc1cc(cc(c1)OCC=O)C 34a_100000210933_200009817547 [0,2,0,0,0,0|2,0,0]=4 6202 B12R1.100 Cc1cc(cc(c1)OCC=O)C 7a_100000210933_200015260668 [0,2,0,0,0,0|2,0,0]=4 6203 B12R1.100 Cc1cc(cc(c1)OCC=O)Cl 34a_100000087485_200009817547 [0,2,0,0,0,0|2,0,0]=4 6204 B12R1.100 Cc1cc(cc(c1)OCC=O)Cl 7a_100000087485_200015260668 [0,2,0,0,0,0|2,0,0]=4 6205 B12R1.100 Cc1cc(cc(c1)OCC=O)F 34a_100011830401_200009817547 [0,2,0,0,0,0|2,0,0]=4 6206 B12R1.100 Cc1cc(cc(c1)OCC=O)F 7a_100011830401_200015260668 [0,2,0,0,0,0|2,0,0]=4 6207 B12R1.100 Cc1cc(cc(c1)OCC=O)N 34a_100011995906_200009817547 [0,2,0,0,0,0|2,0,0]=4 6208 B12R1.100 Cc1cc(cc(c1)OCC=O)N 7a_100011995906_200015260668 [0,2,0,0,0,0|2,0,0]=4 6209 B12R1.100 Cc1cc(cc(c1)SCC=O)C 62a_100011215608_200015260668 [0,2,0,0,0,0|2,0,0]=4 6210 B12R1.100 Cc1cc(cc(c1)SCC=O)C 62a_200015260668_100011215608 [0,2,0,0,0,0|2,0,0]=4 6211 B12R1.100 Cc1cc(cc(c1)SCC=O)Cl 62a_100010172791_200015260668 [0,2,0,0,0,0|2,0,0]=4 6212 B12R1.100 Cc1cc(cc(c1)SCC=O)Cl 62a_200015260668_100010172791 [0,2,0,0,0,0|2,0,0]=4 6213 B12R1.100 Cc1cc(cc(c1)SCC=O)F 62a_100011356977_200015260668 [0,2,0,0,0,0|2,0,0]=4 6214 B12R1.100 Cc1cc(cc(c1)SCC=O)F 62a_200015260668_100011356977 [0,2,0,0,0,0|2,0,0]=4 6215 B12R1.100 Cc1cc(cc(c1)SCC=O)N 62a_100000695972_200015260668 [0,2,0,0,0,0|2,0,0]=4 6216 B12R1.100 Cc1cc(cc(c1)SCC=O)N 62a_200015260668_100000695972 [0,2,0,0,0,0|2,0,0]=4 6217 B12R1.100 Cc1cc(cc(c1)SCC=O)O 62a_200015260668_100011999630 [0,2,0,0,0,0|2,0,0]=4 6218 B12R1.100 FCNCc1cc(cc(c1)Br)Br 34a_100015211796_100015361967 [0,2,0,0,0,0|1,0,1]=4 6219 B12R1.100 FCNCc1cc(cc(c1)Br)F 34a_100020611034_100015361967 [0,2,0,0,0,0|1,0,1]=4 6220 B12R1.100 FCNCc1cc(cc(c1)Cl)Cl 34a_100011211636_100015361967 [0,2,0,0,0,0|1,0,1]=4 6221 B12R1.100 FCNCc1cc(cc(c1)Cl)F 34a_100137329012_100015361967 [0,2,0,0,0,0|1,0,1]=4 6222 B12R1.100 FCNCc1cc(cc(c1)F)F 34a_100000737602_100015361967 [0,2,0,0,0,0|1,0,1]=4 6223 B12R1.100 Nc1cc(cc(c1)OCC=O)Cl 34a_100000123917_200009817547 [0,2,0,0,0,0|2,0,0]=4 6224 B12R1.100 Nc1cc(cc(c1)OCC=O)Cl 7a_100000123917_200015260668 [0,2,0,0,0,0|2,0,0]=4 6225 B12R1.100 Nc1cc(cc(c1)SCC=O)Br 62a_100009814763_200015260668 [0,2,0,0,0,0|2,0,0]=4 6226 B12R1.100 Nc1cc(cc(c1)SCC=O)Br 62a_200015260668_100009814763 [0,2,0,0,0,0|2,0,0]=4 6227 B12R1.100 Nc1cc(cc(c1)SCC=O)Cl 62a_100010147676_200015260668 [0,2,0,0,0,0|2,0,0]=4 6228 B12R1.100 Nc1cc(cc(c1)SCC=O)Cl 62a_200015260668_100010147676 [0,2,0,0,0,0|2,0,0]=4 6229 B12R1.100 Nc1cc(cc(c1)SCC=O)F 62a_100011356972_200015260668 [0,2,0,0,0,0|2,0,0]=4 6230 B12R1.100 Nc1cc(cc(c1)SCC=O)F 62a_200015260668_100011356972 [0,2,0,0,0,0|2,0,0]=4 6231 B12R1.100 Nc1cc(cc(c1)SCC=O)N 62a_100011999608_200015260668 [0,2,0,0,0,0|2,0,0]=4 6232 B12R1.100 Nc1cc(cc(c1)SCC=O)N 62a_200015260668_100011999608 [0,2,0,0,0,0|2,0,0]=4 6233 B12R1.100 O=CCNc1cc(cc(c1)Br)Br 34a_100012047176_200009817547 [0,2,0,0,0,0|2,0,0]=4 6234 B12R1.100 O=CCNc1cc(cc(c1)Br)Br 7a_100012047176_200015260668 [0,2,0,0,0,0|2,0,0]=4 6235 B12R1.100 O=CCNc1cc(cc(c1)Br)Cl 34a_100011934539_200009817547 [0,2,0,0,0,0|2,0,0]=4 6236 B12R1.100 O=CCNc1cc(cc(c1)Br)Cl 7a_100011934539_200015260668 [0,2,0,0,0,0|2,0,0]=4 6237 B12R1.100 O=CCNc1cc(cc(c1)Br)F 34a_100000705686_200009817547 [0,2,0,0,0,0|2,0,0]=4 6238 B12R1.100 O=CCNc1cc(cc(c1)Br)F 7a_100000705686_200015260668 [0,2,0,0,0,0|2,0,0]=4 6239 B12R1.100 O=CCNc1cc(cc(c1)Cl)Cl 34a_100000210456_200009817547 [0,2,0,0,0,0|2,0,0]=4 6240 B12R1.100 O=CCNc1cc(cc(c1)Cl)Cl 7a_100000210456_200015260668 [0,2,0,0,0,0|2,0,0]=4 6241 B12R1.100 O=CCNc1cc(cc(c1)Cl)F 34a_100000686136_200009817547 [0,2,0,0,0,0|2,0,0]=4 6242 B12R1.100 O=CCNc1cc(cc(c1)Cl)F 7a_100000686136_200015260668 [0,2,0,0,0,0|2,0,0]=4 6243 B12R1.100 O=CCNc1cc(cc(c1)Cl)O 34a_100000123917_200009817547 [0,2,0,0,0,0|2,0,0]=4 6244 B12R1.100 O=CCNc1cc(cc(c1)Cl)O 7a_100000123917_200015260668 [0,2,0,0,0,0|2,0,0]=4 6245 B12R1.100 O=CCNc1cc(cc(c1)F)F 34a_100000233717_200009817547 [0,2,0,0,0,0|2,0,0]=4 6246 B12R1.100 O=CCNc1cc(cc(c1)F)F 7a_100000233717_200015260668 [0,2,0,0,0,0|2,0,0]=4 6247 B12R1.100 O=CCNc1cc(cc(c1)I)Br 7a_100009814763_200015260668 [0,2,0,0,0,0|2,0,0]=4 6248 B12R1.100 O=CCNc1cc(cc(c1)I)Cl 7a_100010147676_200015260668 [0,2,0,0,0,0|2,0,0]=4 6249 B12R1.100 O=CCNc1cc(cc(c1)I)F 34a_100011356972_200009817547 [0,2,0,0,0,0|2,0,0]=4 6250 B12R1.100 O=CCNc1cc(cc(c1)I)F 7a_100011356972_200015260668 [0,2,0,0,0,0|2,0,0]=4 6251 B12R1.100 O=CCNc1cc(cc(c1)I)I 7a_200000696836_200015260668 [0,2,0,0,0,0|2,0,0]=4 6252 B12R1.100 O=CCNc1cc(cc(c1)O)O 34a_100000043371_200009817547 [0,2,0,0,0,0|2,0,0]=4 6253 B12R1.100 O=CCOc1cc(cc(c1)Br)Br 34a_100010167048_200009817547 [0,2,0,0,0,0|2,0,0]=4 6254 B12R1.100 O=CCOc1cc(cc(c1)Br)Br 7a_100010167048_200015260668 [0,2,0,0,0,0|2,0,0]=4 6255 B12R1.100 O=CCOc1cc(cc(c1)Br)Cl 34a_100010185897_200009817547 [0,2,0,0,0,0|2,0,0]=4 6256 B12R1.100 O=CCOc1cc(cc(c1)Br)Cl 7a_100010185897_200015260668 [0,2,0,0,0,0|2,0,0]=4 6257 B12R1.100 O=CCOc1cc(cc(c1)Br)F 34a_100000688818_200009817547 [0,2,0,0,0,0|2,0,0]=4 6258 B12R1.100 O=CCOc1cc(cc(c1)Br)F 7a_100000688818_200015260668 [0,2,0,0,0,0|2,0,0]=4 6259 B12R1.100 O=CCOc1cc(cc(c1)Cl)Cl 34a_100000181315_200009817547 [0,2,0,0,0,0|2,0,0]=4 6260 B12R1.100 O=CCOc1cc(cc(c1)Cl)Cl 7a_100000181315_200015260668 [0,2,0,0,0,0|2,0,0]=4 6261 B12R1.100 O=CCOc1cc(cc(c1)Cl)F 34a_100011219751_200009817547 [0,2,0,0,0,0|2,0,0]=4 6262 B12R1.100 O=CCOc1cc(cc(c1)Cl)F 7a_100011219751_200015260668 [0,2,0,0,0,0|2,0,0]=4 6263 B12R1.100 O=CCOc1cc(cc(c1)F)F 34a_100000747503_200009817547 [0,2,0,0,0,0|2,0,0]=4 6264 B12R1.100 O=CCOc1cc(cc(c1)F)F 7a_100000747503_200015260668 [0,2,0,0,0,0|2,0,0]=4 6265 B12R1.100 O=CCOc1cc(cc(c1)I)Br 34a_100010068917_200009817547 [0,2,0,0,0,0|2,0,0]=4 6266 B12R1.100 O=CCOc1cc(cc(c1)I)Br 7a_100010068917_200015260668 [0,2,0,0,0,0|2,0,0]=4 6267 B12R1.100 O=CCOc1cc(cc(c1)I)Cl 34a_100010068924_200009817547 [0,2,0,0,0,0|2,0,0]=4 6268 B12R1.100 O=CCOc1cc(cc(c1)I)Cl 7a_100010068924_200015260668 [0,2,0,0,0,0|2,0,0]=4 6269 B12R1.100 O=CCOc1cc(cc(c1)I)F 34a_100000717995_200009817547 [0,2,0,0,0,0|2,0,0]=4 6270 B12R1.100 O=CCOc1cc(cc(c1)I)F 7a_100000717995_200015260668 [0,2,0,0,0,0|2,0,0]=4 6271 B12R1.100 O=CCSc1cc(cc(c1)Br)Br 62a_100009814770_200015260668 [0,2,0,0,0,0|2,0,0]=4 6272 B12R1.100 O=CCSc1cc(cc(c1)Br)Br 62a_200015260668_100009814770 [0,2,0,0,0,0|2,0,0]=4 6273 B12R1.100 O=CCSc1cc(cc(c1)Br)Cl 62a_100009814755_200015260668 [0,2,0,0,0,0|2,0,0]=4 6274 B12R1.100 O=CCSc1cc(cc(c1)Br)Cl 62a_200015260668_100009814755 [0,2,0,0,0,0|2,0,0]=4 6275 B12R1.100 O=CCSc1cc(cc(c1)Br)F 62a_100009814764_200015260668 [0,2,0,0,0,0|2,0,0]=4 6276 B12R1.100 O=CCSc1cc(cc(c1)Br)F 62a_200015260668_100009814764 [0,2,0,0,0,0|2,0,0]=4 6277 B12R1.100 O=CCSc1cc(cc(c1)Br)O 62a_100010068917_200015260668 [0,2,0,0,0,0|2,0,0]=4 6278 B12R1.100 O=CCSc1cc(cc(c1)Br)O 62a_200015260668_100010068917 [0,2,0,0,0,0|2,0,0]=4 6279 B12R1.100 O=CCSc1cc(cc(c1)Cl)Cl 62a_100000747138_200015260668 [0,2,0,0,0,0|2,0,0]=4 6280 B12R1.100 O=CCSc1cc(cc(c1)Cl)Cl 62a_200015260668_100000747138 [0,2,0,0,0,0|2,0,0]=4 6281 B12R1.100 O=CCSc1cc(cc(c1)Cl)F 62a_100013859453_200015260668 [0,2,0,0,0,0|2,0,0]=4 6282 B12R1.100 O=CCSc1cc(cc(c1)Cl)F 62a_200015260668_100013859453 [0,2,0,0,0,0|2,0,0]=4 6283 B12R1.100 O=CCSc1cc(cc(c1)Cl)O 62a_100010068924_200015260668 [0,2,0,0,0,0|2,0,0]=4 6284 B12R1.100 O=CCSc1cc(cc(c1)Cl)O 62a_200015260668_100010068924 [0,2,0,0,0,0|2,0,0]=4 6285 B12R1.100 O=CCSc1cc(cc(c1)F)F 62a_100000233788_200015260668 [0,2,0,0,0,0|2,0,0]=4 6286 B12R1.100 O=CCSc1cc(cc(c1)F)F 62a_200015260668_100000233788 [0,2,0,0,0,0|2,0,0]=4 6287 B12R1.100 O=CCSc1cc(cc(c1)F)O 62a_100000688818_200015260668 [0,2,0,0,0,0|2,0,0]=4 6288 B12R1.100 O=CCSc1cc(cc(c1)F)O 62a_200015260668_100000688818 [0,2,0,0,0,0|2,0,0]=4 6289 B12R1.100 O=CCSc1cc(cc(c1)O)O 62a_200015260668_100009868816 [0,2,0,0,0,0|2,0,0]=4 6290 B12R1.100 Oc1cc(cc(c1)CNCF)Cl 34a_107254831445_100015361967 [0,2,0,0,0,0|1,0,1]=4 6291 B12R1.100 Oc1cc(cc(c1)CNCF)F 34a_100160469513_100015361967 [0,2,0,0,0,0|1,0,1]=4 6292 B12R1.100 Oc1cc(cc(c1)CNCF)O 34a_100159270720_100015361967 [0,2,0,0,0,0|1,0,1]=4 6293 B12R1.226 CC(=O)/C=C/c1cccc(c1)O 271570a_203496583355_200016266566 [0,2,0,0,0,0|1,0,1]=4 6294 B12R1.226 CC(=O)C#Cc1cccc(c1)Br 1458a_100012100324_200000210301 [0,2,0,0,0,0|1,0,1]=4 6295 B12R1.226 CC(=O)C#Cc1cccc(c1)C 1458a_100011892726_200000210301 [0,2,0,0,0,0|1,0,1]=4 6296 B12R1.226 CC(=O)C#Cc1cccc(c1)Cl 1458a_100011892777_200000210301 [0,2,0,0,0,0|1,0,1]=4 6297 B12R1.226 CC(=O)C#Cc1cccc(c1)F 1458a_100011892744_200000210301 [0,2,0,0,0,0|1,0,1]=4 6298 B12R1.226 CC(=O)C#Cc1cccc(c1)O 1458a_200009909484_200000210301 [0,2,0,0,0,0|1,0,1]=4 6299 B12R1.226 CC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_200000210301 [0,2,0,0,0,0|1,0,1]=4 6300 B12R1.226 CC(=O)C=Cc1cccc(c1)C 1458a_100000690095_200000210301 [0,2,0,0,0,0|1,0,1]=4 6301 B12R1.226 CC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_200000210301 [0,2,0,0,0,0|1,0,1]=4 6302 B12R1.226 CC(=O)C=Cc1cccc(c1)F 1458a_100000718793_200000210301 [0,2,0,0,0,0|1,0,1]=4 6303 B12R1.226 CC(=O)C=Cc1cccc(c1)I 1458a_100020647043_200000210301 [0,2,0,0,0,0|1,0,1]=4 6304 B12R1.226 CC(=O)CCc1cccc(c1)Br 1458a_100000070787_100011740638 [0,2,0,0,0,0|1,0,0]=3 6305 B12R1.226 CC(=O)CCc1cccc(c1)Br 1458a_100000184314_200000210301 [0,2,0,0,0,0|1,0,0]=3 6306 B12R1.226 CC(=O)CCc1cccc(c1)C 1458a_100000070787_100011713685 [0,2,0,0,0,0|1,0,0]=3 6307 B12R1.226 CC(=O)CCc1cccc(c1)C 1458a_100000234952_200000210301 [0,2,0,0,0,0|1,0,0]=3 6308 B12R1.226 CC(=O)CCc1cccc(c1)Cl 1458a_100000070787_100011713710 [0,2,0,0,0,0|1,0,0]=3 6309 B12R1.226 CC(=O)CCc1cccc(c1)Cl 1458a_100000235675_200000210301 [0,2,0,0,0,0|1,0,0]=3 6310 B12R1.226 CC(=O)CCc1cccc(c1)F 1458a_100000070787_100011217235 [0,2,0,0,0,0|1,0,0]=3 6311 B12R1.226 CC(=O)CCc1cccc(c1)F 1458a_100000235673_200000210301 [0,2,0,0,0,0|1,0,0]=3 6312 B12R1.226 CC(=O)CCc1cccc(c1)I 1458a_100010007846_200000210301 [0,2,0,0,0,0|1,0,0]=3 6313 B12R1.226 CC(=O)CCc1cccc(c1)O 1458a_100011216126_200000210301 [0,2,0,0,0,0|1,0,0]=3 6314 B12R1.226 CC(=O)CCc1cccc(c1)O 271570a_203496583355_100011279149 [0,2,0,0,0,0|1,0,0]=3 6315 B12R1.226 CC(=O)COc1cccc(c1)Br 1458a_100000182359_200000210301 [0,2,0,0,0,0|2,0,0]=4 6316 B12R1.226 CC(=O)COc1cccc(c1)C 1458a_100000183606_200000210301 [0,2,0,0,0,0|2,0,0]=4 6317 B12R1.226 CC(=O)COc1cccc(c1)Cl 1458a_100000184978_200000210301 [0,2,0,0,0,0|2,0,0]=4 6318 B12R1.226 CC(=O)COc1cccc(c1)F 1458a_100000182781_200000210301 [0,2,0,0,0,0|2,0,0]=4 6319 B12R1.226 CC(=O)CSc1cccc(c1)Br 1458a_100000760868_200000210301 [0,2,0,0,0,0|2,0,0]=4 6320 B12R1.226 CC(=O)NCc1cc(ccn1)Br 11a_100009818019_100015343762 [0,2,0,0,0,0|1,0,0]=3 6321 B12R1.226 CC(=O)NCc1cc(ccn1)Br 1626a_100009818019_100015343762 [0,2,0,0,0,0|1,0,0]=3 6322 B12R1.226 CC(=O)NCc1cc(ccn1)Br 240690a_100009818019_100015343762 [0,2,0,0,0,0|1,0,0]=3 6323 B12R1.226 CC(=O)NCc1cc(ccn1)Br 527a_100009818019_100103153847 [0,2,0,0,0,0|1,0,0]=3 6324 B12R1.226 CC(=O)NCc1cc(ccn1)C 11a_100011934573_100015343762 [0,2,0,0,0,0|1,0,0]=3 6325 B12R1.226 CC(=O)NCc1cc(ccn1)C 1626a_100011934573_100015343762 [0,2,0,0,0,0|1,0,0]=3 6326 B12R1.226 CC(=O)NCc1cc(ccn1)C 240690a_100011934573_100015343762 [0,2,0,0,0,0|1,0,0]=3 6327 B12R1.226 CC(=O)NCc1cc(ccn1)C 527a_100011934573_100103153847 [0,2,0,0,0,0|1,0,0]=3 6328 B12R1.226 CC(=O)NCc1cc(ccn1)Cl 11a_100000085674_100015343762 [0,2,0,0,0,0|1,0,0]=3 6329 B12R1.226 CC(=O)NCc1cc(ccn1)Cl 1626a_100000085674_100015343762 [0,2,0,0,0,0|1,0,0]=3 6330 B12R1.226 CC(=O)NCc1cc(ccn1)Cl 240690a_100000085674_100015343762 [0,2,0,0,0,0|1,0,0]=3 6331 B12R1.226 CC(=O)NCc1cc(ccn1)Cl 527a_100000085674_100103153847 [0,2,0,0,0,0|1,0,0]=3 6332 B12R1.226 CC(=O)NCc1cccc(=O)[nH]1 11a_100000696482_100015343762 [0,2,0,0,0,0|1,0,0]=3 6333 B12R1.226 CC(=O)NCc1cccc(=O)[nH]1 1626a_100000696482_100015343762 [0,2,0,0,0,0|1,0,0]=3 6334 B12R1.226 CC(=O)NCc1cccc(=O)[nH]1 240690a_100000696482_100015343762 [0,2,0,0,0,0|1,0,0]=3 6335 B12R1.226 CC(=O)NCc1cccc(=O)[nH]1 527a_100000696482_100103153847 [0,2,0,0,0,0|1,0,0]=3 6336 B12R1.226 CC(=O)NCc1cccc(c1)Br 11a_100000174977_100015343762 [0,2,0,0,0,0|0,0,0]=2 6337 B12R1.226 CC(=O)NCc1cccc(c1)Br 1626a_100000174977_100015343762 [0,2,0,0,0,0|0,0,0]=2 6338 B12R1.226 CC(=O)NCc1cccc(c1)Br 240690a_100000174977_100015343762 [0,2,0,0,0,0|0,0,0]=2 6339 B12R1.226 CC(=O)NCc1cccc(c1)Br 527a_100000174977_100103153847 [0,2,0,0,0,0|0,0,0]=2 6340 B12R1.226 CC(=O)NCc1cccc(c1)C 11a_100000185548_100015343762 [0,2,0,0,0,0|0,0,0]=2 6341 B12R1.226 CC(=O)NCc1cccc(c1)C 1626a_100000185548_100015343762 [0,2,0,0,0,0|0,0,0]=2 6342 B12R1.226 CC(=O)NCc1cccc(c1)C 240690a_100000185548_100015343762 [0,2,0,0,0,0|0,0,0]=2 6343 B12R1.226 CC(=O)NCc1cccc(c1)C 527a_100000185548_100103153847 [0,2,0,0,0,0|0,0,0]=2 6344 B12R1.226 CC(=O)NCc1cccc(c1)Cl 11a_100000174878_100015343762 [0,2,0,0,0,0|0,0,0]=2 6345 B12R1.226 CC(=O)NCc1cccc(c1)Cl 1626a_100000174878_100015343762 [0,2,0,0,0,0|0,0,0]=2 6346 B12R1.226 CC(=O)NCc1cccc(c1)Cl 240690a_100000174878_100015343762 [0,2,0,0,0,0|0,0,0]=2 6347 B12R1.226 CC(=O)NCc1cccc(c1)Cl 527a_100000174878_100103153847 [0,2,0,0,0,0|0,0,0]=2 6348 B12R1.226 CC(=O)NCc1cccc(c1)F 11a_100000174948_100015343762 [0,2,0,0,0,0|0,0,0]=2 6349 B12R1.226 CC(=O)NCc1cccc(c1)F 1626a_100000174948_100015343762 [0,2,0,0,0,0|0,0,0]=2 6350 B12R1.226 CC(=O)NCc1cccc(c1)F 240690a_100000174948_100015343762 [0,2,0,0,0,0|0,0,0]=2 6351 B12R1.226 CC(=O)NCc1cccc(c1)F 527a_100000174948_100103153847 [0,2,0,0,0,0|0,0,0]=2 6352 B12R1.226 CC(=O)NCc1cccc(c1)I 11a_100000106179_100015343762 [0,2,0,0,0,0|0,0,0]=2 6353 B12R1.226 CC(=O)NCc1cccc(c1)I 1626a_100000106179_100015343762 [0,2,0,0,0,0|0,0,0]=2 6354 B12R1.226 CC(=O)NCc1cccc(c1)I 240690a_100000106179_100015343762 [0,2,0,0,0,0|0,0,0]=2 6355 B12R1.226 CC(=O)NCc1cccc(c1)I 527a_100000106179_100103153847 [0,2,0,0,0,0|0,0,0]=2 6356 B12R1.226 CC(=O)NCc1cccc(c1)O 240690a_100000743036_100015343762 [0,2,0,0,0,0|0,0,0]=2 6357 B12R1.226 CC(=O)NCc1cccc(c1)O 271570a_203496583355_100000766983 [0,2,0,0,0,0|0,0,0]=2 6358 B12R1.226 CC(=O)NCc1cccc(c1)O 527a_100000743036_100103153847 [0,2,0,0,0,0|0,0,0]=2 6359 B12R1.226 CC(=O)NCc1cccc(n1)Br 11a_100016987751_100015343762 [0,2,0,0,0,0|1,0,0]=3 6360 B12R1.226 CC(=O)NCc1cccc(n1)Br 1626a_100016987751_100015343762 [0,2,0,0,0,0|1,0,0]=3 6361 B12R1.226 CC(=O)NCc1cccc(n1)Br 240690a_100016987751_100015343762 [0,2,0,0,0,0|1,0,0]=3 6362 B12R1.226 CC(=O)NCc1cccc(n1)Br 527a_100016987751_100103153847 [0,2,0,0,0,0|1,0,0]=3 6363 B12R1.226 CC(=O)NCc1cccc(n1)C 11a_100000701342_100015343762 [0,2,0,0,0,0|1,0,0]=3 6364 B12R1.226 CC(=O)NCc1cccc(n1)C 1626a_100000701342_100015343762 [0,2,0,0,0,0|1,0,0]=3 6365 B12R1.226 CC(=O)NCc1cccc(n1)C 240690a_100000701342_100015343762 [0,2,0,0,0,0|1,0,0]=3 6366 B12R1.226 CC(=O)NCc1cccc(n1)C 527a_100000701342_100103153847 [0,2,0,0,0,0|1,0,0]=3 6367 B12R1.226 CC(=O)NCc1cccc(n1)Cl 11a_100016990191_100015343762 [0,2,0,0,0,0|1,0,0]=3 6368 B12R1.226 CC(=O)NCc1cccc(n1)Cl 1626a_100016990191_100015343762 [0,2,0,0,0,0|1,0,0]=3 6369 B12R1.226 CC(=O)NCc1cccc(n1)Cl 240690a_100016990191_100015343762 [0,2,0,0,0,0|1,0,0]=3 6370 B12R1.226 CC(=O)NCc1cccc(n1)Cl 527a_100016990191_100103153847 [0,2,0,0,0,0|1,0,0]=3 6371 B12R1.226 CC(=O)NCc1cccc(n1)F 11a_100015188798_100015343762 [0,2,0,0,0,0|1,0,0]=3 6372 B12R1.226 CC(=O)NCc1cccc(n1)F 1626a_100015188798_100015343762 [0,2,0,0,0,0|1,0,0]=3 6373 B12R1.226 CC(=O)NCc1cccc(n1)F 240690a_100015188798_100015343762 [0,2,0,0,0,0|1,0,0]=3 6374 B12R1.226 CC(=O)NCc1cccc(n1)F 527a_100015188798_100103153847 [0,2,0,0,0,0|1,0,0]=3 6375 B12R1.226 CC(=O)NCc1ccnc(c1)Br 11a_100025757509_100015343762 [0,2,0,0,0,0|1,0,0]=3 6376 B12R1.226 CC(=O)NCc1ccnc(c1)Br 240690a_100025757509_100015343762 [0,2,0,0,0,0|1,0,0]=3 6377 B12R1.226 CC(=O)NCc1ccnc(c1)Br 527a_100025757509_100103153847 [0,2,0,0,0,0|1,0,0]=3 6378 B12R1.226 CC(=O)NCc1ccnc(c1)C 11a_100011934566_100015343762 [0,2,0,0,0,0|1,0,0]=3 6379 B12R1.226 CC(=O)NCc1ccnc(c1)C 1626a_100011934566_100015343762 [0,2,0,0,0,0|1,0,0]=3 6380 B12R1.226 CC(=O)NCc1ccnc(c1)C 240690a_100011934566_100015343762 [0,2,0,0,0,0|1,0,0]=3 6381 B12R1.226 CC(=O)NCc1ccnc(c1)C 527a_100011934566_100103153847 [0,2,0,0,0,0|1,0,0]=3 6382 B12R1.226 CC(=O)NCc1ccnc(c1)Cl 11a_100015205668_100015343762 [0,2,0,0,0,0|1,0,0]=3 6383 B12R1.226 CC(=O)NCc1ccnc(c1)Cl 1626a_100015205668_100015343762 [0,2,0,0,0,0|1,0,0]=3 6384 B12R1.226 CC(=O)NCc1ccnc(c1)Cl 240690a_100015205668_100015343762 [0,2,0,0,0,0|1,0,0]=3 6385 B12R1.226 CC(=O)NCc1ccnc(c1)Cl 527a_100015205668_100103153847 [0,2,0,0,0,0|1,0,0]=3 6386 B12R1.226 CC(=O)NCc1ccnc(c1)F 11a_100015188774_100015343762 [0,2,0,0,0,0|1,0,0]=3 6387 B12R1.226 CC(=O)NCc1ccnc(c1)F 1626a_100015188774_100015343762 [0,2,0,0,0,0|1,0,0]=3 6388 B12R1.226 CC(=O)NCc1ccnc(c1)F 240690a_100015188774_100015343762 [0,2,0,0,0,0|1,0,0]=3 6389 B12R1.226 CC(=O)NCc1ccnc(c1)F 527a_100015188774_100103153847 [0,2,0,0,0,0|1,0,0]=3 6390 B12R1.226 CC(=O)NCc1ccnc(c1)O 11a_100000748557_100015343762 [0,2,0,0,0,0|1,0,0]=3 6391 B12R1.226 CC(=O)NCc1ccnc(c1)O 240690a_100000748557_100015343762 [0,2,0,0,0,0|1,0,0]=3 6392 B12R1.226 CC(=O)NCc1ccnc(c1)O 527a_100000748557_100103153847 [0,2,0,0,0,0|1,0,0]=3 6393 B12R1.226 CC(=O)NCc1cncc(c1)Br 11a_100011249555_100015343762 [0,2,0,0,0,0|1,0,0]=3 6394 B12R1.226 CC(=O)NCc1cncc(c1)Br 240690a_100011249555_100015343762 [0,2,0,0,0,0|1,0,0]=3 6395 B12R1.226 CC(=O)NCc1cncc(c1)Br 527a_100011249555_100103153847 [0,2,0,0,0,0|1,0,0]=3 6396 B12R1.226 CC(=O)NCc1cncc(c1)C 11a_100000692839_100015343762 [0,2,0,0,0,0|1,0,0]=3 6397 B12R1.226 CC(=O)NCc1cncc(c1)C 1626a_100000692839_100015343762 [0,2,0,0,0,0|1,0,0]=3 6398 B12R1.226 CC(=O)NCc1cncc(c1)C 240690a_100000692839_100015343762 [0,2,0,0,0,0|1,0,0]=3 6399 B12R1.226 CC(=O)NCc1cncc(c1)C 527a_100000692839_100103153847 [0,2,0,0,0,0|1,0,0]=3 6400 B12R1.226 CC(=O)NCc1cncc(c1)Cl 11a_200020614424_100015343762 [0,2,0,0,0,0|1,0,0]=3 6401 B12R1.226 CC(=O)NCc1cncc(c1)Cl 1626a_200020614424_100015343762 [0,2,0,0,0,0|1,0,0]=3 6402 B12R1.226 CC(=O)NCc1cncc(c1)Cl 240690a_200020614424_100015343762 [0,2,0,0,0,0|1,0,0]=3 6403 B12R1.226 CC(=O)NCc1cncc(c1)Cl 527a_200020614424_100103153847 [0,2,0,0,0,0|1,0,0]=3 6404 B12R1.226 CC(=O)NCc1cncc(c1)F 11a_100011962886_100015343762 [0,2,0,0,0,0|1,0,0]=3 6405 B12R1.226 CC(=O)NCc1cncc(c1)F 1626a_100011962886_100015343762 [0,2,0,0,0,0|1,0,0]=3 6406 B12R1.226 CC(=O)NCc1cncc(c1)F 240690a_100011962886_100015343762 [0,2,0,0,0,0|1,0,0]=3 6407 B12R1.226 CC(=O)NCc1cncc(c1)F 527a_100011962886_100103153847 [0,2,0,0,0,0|1,0,0]=3 6408 B12R1.226 CC(=O)NCc1nccc(n1)C 11a_100015186494_100015343762 [0,2,0,0,0,0|2,0,0]=4 6409 B12R1.226 CC(=O)NCc1nccc(n1)C 1626a_100015186494_100015343762 [0,2,0,0,0,0|2,0,0]=4 6410 B12R1.226 CC(=O)NCc1nccc(n1)C 240690a_100015186494_100015343762 [0,2,0,0,0,0|2,0,0]=4 6411 B12R1.226 CC(=O)NCc1nccc(n1)C 527a_100015186494_100103153847 [0,2,0,0,0,0|2,0,0]=4 6412 B12R1.226 CC(=O)NNc1cc(ccn1)Br 22a_100000764631_100000070787 [0,2,0,0,0,0|2,0,0]=4 6413 B12R1.226 CC(=O)NNc1cc(ccn1)C 22a_100000746014_100000070787 [0,2,0,0,0,0|2,0,0]=4 6414 B12R1.226 CC(=O)NNc1cc(ccn1)Cl 22a_100102524961_100000070787 [0,2,0,0,0,0|2,0,0]=4 6415 B12R1.226 CC(=O)NNc1cc(ccn1)I 22a_100010221011_100000070787 [0,2,0,0,0,0|2,0,0]=4 6416 B12R1.226 CC(=O)NNc1cc[nH]c(=O)c1 22a_100000120847_100000070787 [0,2,0,0,0,0|2,0,0]=4 6417 B12R1.226 CC(=O)NNc1cccc(c1)Br 22a_100000217339_100000070787 [0,2,0,0,0,0|1,0,0]=3 6418 B12R1.226 CC(=O)NNc1cccc(c1)C 22a_100000681630_100000070787 [0,2,0,0,0,0|1,0,0]=3 6419 B12R1.226 CC(=O)NNc1cccc(c1)Cl 22a_100000184277_100000070787 [0,2,0,0,0,0|1,0,0]=3 6420 B12R1.226 CC(=O)NNc1cccc(c1)F 22a_100000745080_100000070787 [0,2,0,0,0,0|1,0,0]=3 6421 B12R1.226 CC(=O)NNc1cccc(c1)I 22a_100020605690_100000070787 [0,2,0,0,0,0|1,0,0]=3 6422 B12R1.226 CC(=O)NNc1cccc(n1)Br 22a_100009817029_100000070787 [0,2,0,0,0,0|2,0,0]=4 6423 B12R1.226 CC(=O)NNc1cccc(n1)C 22a_100011363444_100000070787 [0,2,0,0,0,0|2,0,0]=4 6424 B12R1.226 CC(=O)NNc1cccc(n1)Cl 22a_100102524919_100000070787 [0,2,0,0,0,0|2,0,0]=4 6425 B12R1.226 CC(=O)NNc1cccc(n1)F 22a_100000075452_100000070787 [0,2,0,0,0,0|2,0,0]=4 6426 B12R1.226 CC(=O)NNc1cccc(n1)O 271570a_203496583355_200000079166 [0,2,0,0,0,0|2,0,0]=4 6427 B12R1.226 CC(=O)NNc1cncc(c1)Br 22a_100000727789_100000070787 [0,2,0,0,0,0|2,0,0]=4 6428 B12R1.226 CC(=O)NNc1cncc(c1)F 22a_200011955905_100000070787 [0,2,0,0,0,0|2,0,0]=4 6429 B12R1.226 CC(C)NCc1cccc(c1)Br 207a_100138425928_100000210085 [0,2,0,0,0,0|1,0,1]=4 6430 B12R1.226 CC(C)NCc1cccc(c1)Br 2230a_100000174977_100000210206 [0,2,0,0,0,0|1,0,1]=4 6431 B12R1.226 CC(C)NCc1cccc(c1)Br 2230a_100138425928_100000698116 [0,2,0,0,0,0|1,0,1]=4 6432 B12R1.226 CC(C)NCc1cccc(c1)Br 34a_100000174977_100000210206 [0,2,0,0,0,0|1,0,1]=4 6433 B12R1.226 CC(C)NCc1cccc(c1)Br 34a_100138425928_100000698116 [0,2,0,0,0,0|1,0,1]=4 6434 B12R1.226 CC(C)NCc1cccc(c1)Cl 207a_100138425928_100000210801 [0,2,0,0,0,0|1,0,1]=4 6435 B12R1.226 CC(C)NCc1cccc(c1)Cl 2230a_100000174878_100000210206 [0,2,0,0,0,0|1,0,1]=4 6436 B12R1.226 CC(C)NCc1cccc(c1)Cl 2230a_100138425928_100000181238 [0,2,0,0,0,0|1,0,1]=4 6437 B12R1.226 CC(C)NCc1cccc(c1)Cl 34a_100000174878_100000210206 [0,2,0,0,0,0|1,0,1]=4 6438 B12R1.226 CC(C)NCc1cccc(c1)Cl 34a_100138425928_100000187163 [0,2,0,0,0,0|1,0,1]=4 6439 B12R1.226 CC(C)NCc1cccc(c1)F 207a_100138425928_100000210812 [0,2,0,0,0,0|1,0,1]=4 6440 B12R1.226 CC(C)NCc1cccc(c1)F 2230a_100000174948_100000210206 [0,2,0,0,0,0|1,0,1]=4 6441 B12R1.226 CC(C)NCc1cccc(c1)F 2230a_100138425928_100000230114 [0,2,0,0,0,0|1,0,1]=4 6442 B12R1.226 CC(C)NCc1cccc(c1)F 34a_100000174948_100000210206 [0,2,0,0,0,0|1,0,1]=4 6443 B12R1.226 CC(C)NCc1cccc(c1)F 34a_100138425928_100000187166 [0,2,0,0,0,0|1,0,1]=4 6444 B12R1.226 CC(C)NCc1cccc(c1)I 207a_100138425928_100000014684 [0,2,0,0,0,0|1,0,1]=4 6445 B12R1.226 CC(C)NCc1cccc(c1)I 2230a_100000106179_100000210206 [0,2,0,0,0,0|1,0,1]=4 6446 B12R1.226 CC(C)NCc1cccc(c1)I 2230a_100138425928_100011218688 [0,2,0,0,0,0|1,0,1]=4 6447 B12R1.226 CC(C)NCc1cccc(c1)I 34a_100000106179_100000210206 [0,2,0,0,0,0|1,0,1]=4 6448 B12R1.226 CC(C)NCc1cccc(c1)I 34a_100138425928_100011218688 [0,2,0,0,0,0|1,0,1]=4 6449 B12R1.226 CC(C)NCc1cccc(c1)O 207a_100138425928_100000188321 [0,2,0,0,0,0|1,0,1]=4 6450 B12R1.226 CC(C)NCc1cccc(c1)O 2230a_100000743036_100000210206 [0,2,0,0,0,0|1,0,1]=4 6451 B12R1.226 CC(C)NCc1cccc(c1)O 2230a_100138425928_100011660834 [0,2,0,0,0,0|1,0,1]=4 6452 B12R1.226 CC(C)NCc1cccc(c1)O 271570a_203496583355_100000195767 [0,2,0,0,0,0|1,0,1]=4 6453 B12R1.226 CC(C)NCc1cccc(c1)O 34a_100000743036_100000210206 [0,2,0,0,0,0|1,0,1]=4 6454 B12R1.226 CC(C)NCc1cccc(c1)O 34a_100138425928_100011660834 [0,2,0,0,0,0|1,0,1]=4 6455 B12R1.226 Cc1cccc(c1)C#CC(=O)[13CH3] 1458a_100011892726_200025704644 [0,2,0,0,0,0|1,0,1]=4 6456 B12R1.226 Cc1cccc(c1)C=CC(=O)[13CH3] 1458a_100000690095_200025704644 [0,2,0,0,0,0|1,0,1]=4 6457 B12R1.226 Cc1cccc(c1)CCC(=O)[13CH3] 1458a_100000234952_200025704644 [0,2,0,0,0,0|1,0,0]=3 6458 B12R1.226 Cc1cccc(c1)CNC(C)C 207a_100138425928_100000211157 [0,2,0,0,0,0|1,0,1]=4 6459 B12R1.226 Cc1cccc(c1)CNC(C)C 2230a_100000185548_100000210206 [0,2,0,0,0,0|1,0,1]=4 6460 B12R1.226 Cc1cccc(c1)CNC(C)C 2230a_100138425928_100000211840 [0,2,0,0,0,0|1,0,1]=4 6461 B12R1.226 Cc1cccc(c1)CNC(C)C 34a_100000185548_100000210206 [0,2,0,0,0,0|1,0,1]=4 6462 B12R1.226 Cc1cccc(c1)CNC(C)C 34a_100138425928_100000211840 [0,2,0,0,0,0|1,0,1]=4 6463 B12R1.226 Cc1cccc(c1)NCC(=O)N 2230a_100000188690_100000747473 [0,2,0,0,0,0|2,0,0]=4 6464 B12R1.226 Cc1cccc(c1)NCC(=O)N 34a_100000188690_100000187820 [0,2,0,0,0,0|2,0,0]=4 6465 B12R1.226 Cc1cccc(c1)NCC(=O)[O-] 34a_100000188690_100020667443 [0,2,0,0,0,0|2,0,0]=4 6466 B12R1.226 Cc1cccc(c1)OCC(=O)N 34a_100000210337_100000187820 [0,2,0,0,0,0|2,0,0]=4 6467 B12R1.226 Cc1cccc(c1)OCC(=O)N 7a_100000210337_100000187820 [0,2,0,0,0,0|2,0,0]=4 6468 B12R1.226 Cc1cccc(c1)OCC(=O)[13CH3] 1458a_100000183606_200025704644 [0,2,0,0,0,0|2,0,0]=4 6469 B12R1.226 Cc1cccc(c1)OCC(=O)[O-] 34a_100000210337_100020667443 [0,2,0,0,0,0|2,0,0]=4 6470 B12R1.226 Cc1cccc(c1)SCC(=O)N 62a_100000747473_100011215228 [0,2,0,0,0,0|2,0,0]=4 6471 B12R1.226 Cc1cccc(c1)SCC(=O)N 62a_100011215228_100000747473 [0,2,0,0,0,0|2,0,0]=4 6472 B12R1.226 Cc1cccc(c1)SCC(=O)[O-] 62a_100011215228_100020667443 [0,2,0,0,0,0|2,0,0]=4 6473 B12R1.226 Cc1cccc(c1)SCC(=O)[O-] 62a_100020667443_100011215228 [0,2,0,0,0,0|2,0,0]=4 6474 B12R1.226 NC(=O)CCc1cccc(c1)O 271570a_203496583355_100000162029 [0,2,0,0,0,0|1,0,0]=3 6475 B12R1.226 NC(=O)CNc1cccc(c1)Br 34a_100000210019_100000187820 [0,2,0,0,0,0|2,0,0]=4 6476 B12R1.226 NC(=O)CNc1cccc(c1)Cl 34a_100000185859_100000187820 [0,2,0,0,0,0|2,0,0]=4 6477 B12R1.226 NC(=O)CNc1cccc(c1)F 34a_100000210047_100000187820 [0,2,0,0,0,0|2,0,0]=4 6478 B12R1.226 NC(=O)CNc1cccc(c1)I 34a_100000211102_100000187820 [0,2,0,0,0,0|2,0,0]=4 6479 B12R1.226 NC(=O)CNc1cccc(c1)O 34a_100000210217_100000187820 [0,2,0,0,0,0|2,0,0]=4 6480 B12R1.226 NC(=O)COc1cccc(c1)Br 34a_100000210342_100000187820 [0,2,0,0,0,0|2,0,0]=4 6481 B12R1.226 NC(=O)COc1cccc(c1)Br 7a_100000210342_100000187820 [0,2,0,0,0,0|2,0,0]=4 6482 B12R1.226 NC(=O)COc1cccc(c1)Cl 34a_100000210295_100000187820 [0,2,0,0,0,0|2,0,0]=4 6483 B12R1.226 NC(=O)COc1cccc(c1)Cl 7a_100000210295_100000187820 [0,2,0,0,0,0|2,0,0]=4 6484 B12R1.226 NC(=O)COc1cccc(c1)F 34a_100000210426_100000187820 [0,2,0,0,0,0|2,0,0]=4 6485 B12R1.226 NC(=O)COc1cccc(c1)F 7a_100000210426_100000187820 [0,2,0,0,0,0|2,0,0]=4 6486 B12R1.226 NC(=O)COc1cccc(c1)I 34a_100000211634_100000187820 [0,2,0,0,0,0|2,0,0]=4 6487 B12R1.226 NC(=O)COc1cccc(c1)I 7a_100000211634_100000187820 [0,2,0,0,0,0|2,0,0]=4 6488 B12R1.226 NC(=O)COc1cccc(c1)N 34a_100000210217_100000187820 [0,2,0,0,0,0|2,0,0]=4 6489 B12R1.226 NC(=O)COc1cccc(c1)O 271570a_203496583355_200000150604 [0,2,0,0,0,0|2,0,0]=4 6490 B12R1.226 NC(=O)CSc1cccc(c1)Br 62a_100000691529_100000747473 [0,2,0,0,0,0|2,0,0]=4 6491 B12R1.226 NC(=O)CSc1cccc(c1)Br 62a_100000747473_100000691529 [0,2,0,0,0,0|2,0,0]=4 6492 B12R1.226 NC(=O)CSc1cccc(c1)Cl 62a_100000699651_100000747473 [0,2,0,0,0,0|2,0,0]=4 6493 B12R1.226 NC(=O)CSc1cccc(c1)Cl 62a_100000747473_100000699651 [0,2,0,0,0,0|2,0,0]=4 6494 B12R1.226 NC(=O)CSc1cccc(c1)F 62a_100000685547_100000747473 [0,2,0,0,0,0|2,0,0]=4 6495 B12R1.226 NC(=O)CSc1cccc(c1)F 62a_100000747473_100000685547 [0,2,0,0,0,0|2,0,0]=4 6496 B12R1.226 NC(=O)CSc1cccc(c1)N 62a_100000210019_100000747473 [0,2,0,0,0,0|2,0,0]=4 6497 B12R1.226 NC(=O)CSc1cccc(c1)N 62a_100000747473_100000210019 [0,2,0,0,0,0|2,0,0]=4 6498 B12R1.226 NC(=O)CSc1cccc(c1)O 62a_100000747473_100000211634 [0,2,0,0,0,0|2,0,0]=4 6499 B12R1.226 NC(=O)CSc1cccc(c1)[S] 62a_100000747473_114929384022 [0,2,0,0,0,0|2,0,0]=4 6500 B12R1.226 NC(=O)CSc1cccc(c1)[S] 62a_114929384022_100000747473 [0,2,0,0,0,0|2,0,0]=4 6501 B12R1.226 Nc1cccc(c1)OCC(=O)[O-] 34a_100000210217_100020667443 [0,2,0,0,0,0|2,0,0]=4 6502 B12R1.226 Nc1cccc(c1)SCC(=O)[O-] 62a_100000210019_100020667443 [0,2,0,0,0,0|2,0,0]=4 6503 B12R1.226 Nc1cccc(c1)SCC(=O)[O-] 62a_100020667443_100000210019 [0,2,0,0,0,0|2,0,0]=4 6504 B12R1.226 O=C([O-])CNc1cccc(c1)Br 34a_100000210019_100020667443 [0,2,0,0,0,0|2,0,0]=4 6505 B12R1.226 O=C([O-])CNc1cccc(c1)Cl 34a_100000185859_100020667443 [0,2,0,0,0,0|2,0,0]=4 6506 B12R1.226 O=C([O-])CNc1cccc(c1)F 34a_100000210047_100020667443 [0,2,0,0,0,0|2,0,0]=4 6507 B12R1.226 O=C([O-])CNc1cccc(c1)I 34a_100000211102_100020667443 [0,2,0,0,0,0|2,0,0]=4 6508 B12R1.226 O=C([O-])CNc1cccc(c1)O 34a_100000210217_100020667443 [0,2,0,0,0,0|2,0,0]=4 6509 B12R1.226 O=C([O-])COc1cccc(c1)Br 34a_100000210342_100020667443 [0,2,0,0,0,0|2,0,0]=4 6510 B12R1.226 O=C([O-])COc1cccc(c1)Cl 34a_100000210295_100020667443 [0,2,0,0,0,0|2,0,0]=4 6511 B12R1.226 O=C([O-])COc1cccc(c1)F 34a_100000210426_100020667443 [0,2,0,0,0,0|2,0,0]=4 6512 B12R1.226 O=C([O-])COc1cccc(c1)I 34a_100000211634_100020667443 [0,2,0,0,0,0|2,0,0]=4 6513 B12R1.226 O=C([O-])CSc1cccc(c1)Br 62a_100000691529_100020667443 [0,2,0,0,0,0|2,0,0]=4 6514 B12R1.226 O=C([O-])CSc1cccc(c1)Br 62a_100020667443_100000691529 [0,2,0,0,0,0|2,0,0]=4 6515 B12R1.226 O=C([O-])CSc1cccc(c1)Cl 62a_100000699651_100020667443 [0,2,0,0,0,0|2,0,0]=4 6516 B12R1.226 O=C([O-])CSc1cccc(c1)Cl 62a_100020667443_100000699651 [0,2,0,0,0,0|2,0,0]=4 6517 B12R1.226 O=C([O-])CSc1cccc(c1)F 62a_100000685547_100020667443 [0,2,0,0,0,0|2,0,0]=4 6518 B12R1.226 O=C([O-])CSc1cccc(c1)F 62a_100020667443_100000685547 [0,2,0,0,0,0|2,0,0]=4 6519 B12R1.226 O=C([O-])CSc1cccc(c1)O 62a_100020667443_100000211634 [0,2,0,0,0,0|2,0,0]=4 6520 B12R1.226 O=C([O-])CSc1cccc(c1)[S] 62a_100020667443_114929384022 [0,2,0,0,0,0|2,0,0]=4 6521 B12R1.226 O=C([O-])CSc1cccc(c1)[S] 62a_114929384022_100020667443 [0,2,0,0,0,0|2,0,0]=4 6522 B12R1.226 [13CH3]C(=O)C#Cc1cccc(c1)Br 1458a_100012100324_200025704644 [0,2,0,0,0,0|1,0,1]=4 6523 B12R1.226 [13CH3]C(=O)C#Cc1cccc(c1)Cl 1458a_100011892777_200025704644 [0,2,0,0,0,0|1,0,1]=4 6524 B12R1.226 [13CH3]C(=O)C#Cc1cccc(c1)F 1458a_100011892744_200025704644 [0,2,0,0,0,0|1,0,1]=4 6525 B12R1.226 [13CH3]C(=O)C#Cc1cccc(c1)O 1458a_200009909484_200025704644 [0,2,0,0,0,0|1,0,1]=4 6526 B12R1.226 [13CH3]C(=O)C=Cc1cccc(c1)Br 1458a_100016258244_200025704644 [0,2,0,0,0,0|1,0,1]=4 6527 B12R1.226 [13CH3]C(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_200025704644 [0,2,0,0,0,0|1,0,1]=4 6528 B12R1.226 [13CH3]C(=O)C=Cc1cccc(c1)F 1458a_100000718793_200025704644 [0,2,0,0,0,0|1,0,1]=4 6529 B12R1.226 [13CH3]C(=O)C=Cc1cccc(c1)I 1458a_100020647043_200025704644 [0,2,0,0,0,0|1,0,1]=4 6530 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)Br 1458a_100000184314_200025704644 [0,2,0,0,0,0|1,0,0]=3 6531 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)Cl 1458a_100000235675_200025704644 [0,2,0,0,0,0|1,0,0]=3 6532 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)F 1458a_100000235673_200025704644 [0,2,0,0,0,0|1,0,0]=3 6533 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)I 1458a_100010007846_200025704644 [0,2,0,0,0,0|1,0,0]=3 6534 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)O 1458a_100011216126_200025704644 [0,2,0,0,0,0|1,0,0]=3 6535 B12R1.226 [13CH3]C(=O)COc1cccc(c1)Br 1458a_100000182359_200025704644 [0,2,0,0,0,0|2,0,0]=4 6536 B12R1.226 [13CH3]C(=O)COc1cccc(c1)Cl 1458a_100000184978_200025704644 [0,2,0,0,0,0|2,0,0]=4 6537 B12R1.226 [13CH3]C(=O)COc1cccc(c1)F 1458a_100000182781_200025704644 [0,2,0,0,0,0|2,0,0]=4 6538 B12R1.226 [13CH3]C(=O)CSc1cccc(c1)Br 1458a_100000760868_200025704644 [0,2,0,0,0,0|2,0,0]=4 6539 B12R1.382 C#Cc1cccc(c1)CNCC 207a_100015525214_100011361529 [0,2,0,0,0,0|1,0,1]=4 6540 B12R1.382 C#Cc1cccc(c1)NCC=O 2230a_100000735509_200015260668 [0,2,0,0,0,0|2,0,0]=4 6541 B12R1.382 C#Cc1cccc(c1)NCC=O 34a_100000735509_200009817547 [0,2,0,0,0,0|2,0,0]=4 6542 B12R1.382 C#Cc1cccc(c1)OCC=O 34a_100011216014_200009817547 [0,2,0,0,0,0|2,0,0]=4 6543 B12R1.382 C#Cc1cccc(c1)OCC=O 7a_100011216014_200015260668 [0,2,0,0,0,0|2,0,0]=4 6544 B12R1.382 C=Cc1cccc(c1)CNCC 270004a_100015525214_100011218069 [0,2,0,0,0,0|1,0,1]=4 6545 B12R1.382 C=Cc1cccc(c1)CNCC 271570a_100011290941_100000187426 [0,2,0,0,0,0|1,0,1]=4 6546 B12R1.382 C=Cc1cccc(c1)NCC=O 34a_100011827668_200009817547 [0,2,0,0,0,0|2,0,0]=4 6547 B12R1.382 C=Cc1cccc(c1)OCC=O 34a_100011309434_200009817547 [0,2,0,0,0,0|2,0,0]=4 6548 B12R1.382 C=Cc1cccc(c1)OCC=O 7a_100011309434_200015260668 [0,2,0,0,0,0|2,0,0]=4 6549 B12R1.382 C=Cc1cccc(c1)SCC=O 62a_100011215241_200015260668 [0,2,0,0,0,0|2,0,0]=4 6550 B12R1.382 C=Cc1cccc(c1)SCC=O 62a_200015260668_100011215241 [0,2,0,0,0,0|2,0,0]=4 6551 B12R1.382 C=Cc1cccc(n1)NNC=O 271570a_100011290941_200000117525 [0,2,0,0,0,0|2,0,0]=4 6552 B12R1.382 CCNCc1cccc(c1)C#N 207a_100015525214_100000241001 [0,2,0,0,0,0|1,0,1]=4 6553 B12R1.382 CCNCc1cccc(c1)C#N 2230a_100015525214_100000233786 [0,2,0,0,0,0|1,0,1]=4 6554 B12R1.382 CCNCc1cccc(c1)C#N 270004a_100015525214_100000241001 [0,2,0,0,0,0|1,0,1]=4 6555 B12R1.382 CCNCc1cccc(c1)C#N 34a_100000755147_100000210202 [0,2,0,0,0,0|1,0,1]=4 6556 B12R1.382 CCNCc1cccc(c1)C=O 2230a_100015525214_100009816774 [0,2,0,0,0,0|1,0,1]=4 6557 B12R1.382 CCNCc1cccc(c1)CC 207a_100015525214_100011999841 [0,2,0,0,0,0|1,0,1]=4 6558 B12R1.382 CCNCc1cccc(c1)CC 270004a_100015525214_100011999841 [0,2,0,0,0,0|1,0,1]=4 6559 B12R1.382 CCNCc1cccc(c1)CO 207a_100015525214_200000050894 [0,2,0,0,0,0|1,0,1]=4 6560 B12R1.382 CCNCc1cccc(c1)CO 2230a_100011269909_100000210202 [0,2,0,0,0,0|1,0,1]=4 6561 B12R1.382 CCNCc1cccc(c1)CO 2230a_100015525214_100010188025 [0,2,0,0,0,0|1,0,1]=4 6562 B12R1.382 CCNCc1cccc(c1)CO 270004a_100015525214_200000050894 [0,2,0,0,0,0|1,0,1]=4 6563 B12R1.382 CCNCc1cccc(c1)CO 34a_100011269909_100000210202 [0,2,0,0,0,0|1,0,1]=4 6564 B12R1.382 CCNCc1cccc(c1)OC 207a_100015525214_100000170238 [0,2,0,0,0,0|1,0,1]=4 6565 B12R1.382 CCNCc1cccc(c1)OC 2230a_100000174954_100000210202 [0,2,0,0,0,0|1,0,1]=4 6566 B12R1.382 CCNCc1cccc(c1)OC 2230a_100015525214_100000211672 [0,2,0,0,0,0|1,0,1]=4 6567 B12R1.382 CCNCc1cccc(c1)OC 270004a_100015525214_100000170238 [0,2,0,0,0,0|1,0,1]=4 6568 B12R1.382 CCNCc1cccc(c1)OC 34a_100000174954_100000210202 [0,2,0,0,0,0|1,0,1]=4 6569 B12R1.382 CCNCc1cccc(c1)OC 34a_100000201218_200000210301 [0,2,0,0,0,0|1,0,1]=4 6570 B12R1.382 CCNCc1cccc(c1)O[13CH3] 34a_100000201218_200025704644 [0,2,0,0,0,0|1,0,1]=4 6571 B12R1.382 CCNCc1cccc(c1)SC 207a_100015525214_100011935093 [0,2,0,0,0,0|1,0,1]=4 6572 B12R1.382 CCNCc1cccc(c1)SC 270004a_100015525214_100011935093 [0,2,0,0,0,0|1,0,1]=4 6573 B12R1.382 CCNCc1cccc(c1)SC 62a_100000187426_200000210301 [0,2,0,0,0,0|1,0,1]=4 6574 B12R1.382 CCNCc1cccc(c1)SC 62a_200000210301_100000187426 [0,2,0,0,0,0|1,0,1]=4 6575 B12R1.382 CCNCc1cccc(c1)S[13CH3] 62a_100000187426_200025704644 [0,2,0,0,0,0|1,0,1]=4 6576 B12R1.382 CCNCc1cccc(c1)S[13CH3] 62a_200025704644_100000187426 [0,2,0,0,0,0|1,0,1]=4 6577 B12R1.382 CCc1cccc(c1)NCC=O 2230a_100000211250_200015260668 [0,2,0,0,0,0|2,0,0]=4 6578 B12R1.382 CCc1cccc(c1)NCC=O 34a_100000211250_200009817547 [0,2,0,0,0,0|2,0,0]=4 6579 B12R1.382 CCc1cccc(c1)NCC=O 7a_100000211250_200015260668 [0,2,0,0,0,0|2,0,0]=4 6580 B12R1.382 CCc1cccc(c1)OCC=O 34a_100000211550_200009817547 [0,2,0,0,0,0|2,0,0]=4 6581 B12R1.382 CCc1cccc(c1)OCC=O 7a_100000211550_200015260668 [0,2,0,0,0,0|2,0,0]=4 6582 B12R1.382 CCc1cccc(c1)SCC=O 62a_100011263222_200015260668 [0,2,0,0,0,0|2,0,0]=4 6583 B12R1.382 CCc1cccc(c1)SCC=O 62a_200015260668_100011263222 [0,2,0,0,0,0|2,0,0]=4 6584 B12R1.382 CNc1cccc(c1)OCC=O 34a_100000756613_200009817547 [0,2,0,0,0,0|2,0,0]=4 6585 B12R1.382 CNc1cccc(c1)OCC=O 7a_100000756613_200015260668 [0,2,0,0,0,0|2,0,0]=4 6586 B12R1.382 CNc1cccc(c1)SCC=O 62a_100000219648_200015260668 [0,2,0,0,0,0|2,0,0]=4 6587 B12R1.382 CNc1cccc(c1)SCC=O 62a_200015260668_100000219648 [0,2,0,0,0,0|2,0,0]=4 6588 B12R1.382 COc1cccc(c1)CNCF 34a_100000174954_100015361967 [0,2,0,0,0,0|1,0,1]=4 6589 B12R1.382 COc1cccc(c1)NCC=O 34a_100000210024_200009817547 [0,2,0,0,0,0|2,0,0]=4 6590 B12R1.382 COc1cccc(c1)OCC=O 34a_100000211255_200009817547 [0,2,0,0,0,0|2,0,0]=4 6591 B12R1.382 COc1cccc(c1)OCC=O 7a_100000211255_200015260668 [0,2,0,0,0,0|2,0,0]=4 6592 B12R1.382 COc1cccc(c1)SCC=O 62a_200015260668_100000170001 [0,2,0,0,0,0|2,0,0]=4 6593 B12R1.382 CSc1cccc(c1)NCC=O 2230a_100000210049_200015260668 [0,2,0,0,0,0|2,0,0]=4 6594 B12R1.382 CSc1cccc(c1)NCC=O 34a_100000210049_200009817547 [0,2,0,0,0,0|2,0,0]=4 6595 B12R1.382 CSc1cccc(c1)OCC=O 34a_100011265683_200009817547 [0,2,0,0,0,0|2,0,0]=4 6596 B12R1.382 CSc1cccc(c1)OCC=O 7a_100011265683_200015260668 [0,2,0,0,0,0|2,0,0]=4 6597 B12R1.382 CSc1cccc(c1)SCC=O 62a_100011215954_200015260668 [0,2,0,0,0,0|2,0,0]=4 6598 B12R1.382 CSc1cccc(c1)SCC=O 62a_200015260668_100011215954 [0,2,0,0,0,0|2,0,0]=4 6599 B12R1.382 CSc1cccc(n1)NNC=O 62a_200000117525_200000210301 [0,2,0,0,0,0|2,0,0]=4 6600 B12R1.382 CSc1cccc(n1)NNC=O 62a_200000210301_200000117525 [0,2,0,0,0,0|2,0,0]=4 6601 B12R1.382 N#Cc1cccc(c1)CNCF 34a_100000755147_100015361967 [0,2,0,0,0,0|1,0,1]=4 6602 B12R1.382 N#Cc1cccc(c1)NCC=O 34a_100000210922_200009817547 [0,2,0,0,0,0|2,0,0]=4 6603 B12R1.382 N#Cc1cccc(c1)NCC=O 7a_100000210922_200015260668 [0,2,0,0,0,0|2,0,0]=4 6604 B12R1.382 N#Cc1cccc(c1)OCC=O 34a_100000184713_200009817547 [0,2,0,0,0,0|2,0,0]=4 6605 B12R1.382 N#Cc1cccc(c1)OCC=O 7a_100000184713_200015260668 [0,2,0,0,0,0|2,0,0]=4 6606 B12R1.382 N#Cc1cccc(c1)SCC=O 62a_200015260668_100000189340 [0,2,0,0,0,0|2,0,0]=4 6607 B12R1.382 NCc1cccc(c1)OCC=O 34a_100000743036_200009817547 [0,2,0,0,0,0|2,0,0]=4 6608 B12R1.382 NCc1cccc(c1)SCC=O 62a_100000106179_200015260668 [0,2,0,0,0,0|2,0,0]=4 6609 B12R1.382 NCc1cccc(c1)SCC=O 62a_200015260668_100000106179 [0,2,0,0,0,0|2,0,0]=4 6610 B12R1.382 NNc1cccc(c1)SCC=O 62a_100000217339_200015260668 [0,2,0,0,0,0|2,0,0]=4 6611 B12R1.382 NNc1cccc(c1)SCC=O 62a_200015260668_100000217339 [0,2,0,0,0,0|2,0,0]=4 6612 B12R1.382 O=CCNc1cccc(c1)CF 2230a_100000126320_200015260668 [0,2,0,0,0,0|2,0,0]=4 6613 B12R1.382 O=CCNc1cccc(c1)CF 34a_100000126320_200009817547 [0,2,0,0,0,0|2,0,0]=4 6614 B12R1.382 O=CCNc1cccc(c1)CF 7a_100000126320_200015260668 [0,2,0,0,0,0|2,0,0]=4 6615 B12R1.382 O=CCNc1cccc(c1)CO 2230a_100000211919_200015260668 [0,2,0,0,0,0|2,0,0]=4 6616 B12R1.382 O=CCNc1cccc(c1)CO 34a_100000211919_200009817547 [0,2,0,0,0,0|2,0,0]=4 6617 B12R1.382 O=CCOc1cccc(c1)CBr 34a_100011660834_200009817547 [0,2,0,0,0,0|2,0,0]=4 6618 B12R1.382 O=CCOc1cccc(c1)CBr 7a_100011660834_200015260668 [0,2,0,0,0,0|2,0,0]=4 6619 B12R1.382 O=CCOc1cccc(c1)CCl 34a_100000084143_200009817547 [0,2,0,0,0,0|2,0,0]=4 6620 B12R1.382 O=CCOc1cccc(c1)CCl 7a_100000084143_200015260668 [0,2,0,0,0,0|2,0,0]=4 6621 B12R1.382 O=CCOc1cccc(c1)CO 34a_100011214949_200009817547 [0,2,0,0,0,0|2,0,0]=4 6622 B12R1.382 O=CCOc1cccc(c1)CO 7a_100011214949_200015260668 [0,2,0,0,0,0|2,0,0]=4 6623 B12R1.382 O=CCSc1cccc(c1)C=O 62a_100000014684_200015260668 [0,2,0,0,0,0|2,0,0]=4 6624 B12R1.382 O=CCSc1cccc(c1)C=O 62a_200015260668_100000014684 [0,2,0,0,0,0|2,0,0]=4 6625 B12R1.382 O=CCSc1cccc(c1)CF 62a_100010878472_200015260668 [0,2,0,0,0,0|2,0,0]=4 6626 B12R1.382 O=CCSc1cccc(c1)CF 62a_200015260668_100010878472 [0,2,0,0,0,0|2,0,0]=4 6627 B12R1.382 O=CCSc1cccc(c1)CO 62a_100000687537_200015260668 [0,2,0,0,0,0|2,0,0]=4 6628 B12R1.382 O=CCSc1cccc(c1)CO 62a_200015260668_100000687537 [0,2,0,0,0,0|2,0,0]=4 6629 B12R1.382 OCc1cccc(c1)CNCF 34a_100011269909_100015361967 [0,2,0,0,0,0|1,0,1]=4 6630 B12R1.382 [13CH3]Sc1cccc(n1)NNC=O 62a_200000117525_200025704644 [0,2,0,0,0,0|2,0,0]=4 6631 B12R1.382 [13CH3]Sc1cccc(n1)NNC=O 62a_200025704644_200000117525 [0,2,0,0,0,0|2,0,0]=4 6632 B12R1.8 C#CCCNCc1ccccc1 2230a_100015324214_100000688953 [0,2,0,0,0,0|1,0,1]=4 6633 B12R1.8 C#CCCNCc1ccccc1 34a_100000755551_100015291786 [0,2,0,0,0,0|1,0,1]=4 6634 B12R1.8 C#CCCNCc1ccccc1 34a_100015324214_100000688953 [0,2,0,0,0,0|1,0,1]=4 6635 B12R1.8 C#CCNCCc1ccccc1 2230a_100000106460_100000038162 [0,2,0,0,0,0|1,0,1]=4 6636 B12R1.8 C#CCNCCc1ccccc1 34a_100000106460_100000184674 [0,2,0,0,0,0|1,0,1]=4 6637 B12R1.8 C#CCNCCc1ccccc1 34a_100000212058_100000765856 [0,2,0,0,0,0|1,0,1]=4 6638 B12R1.8 C/C=C/CNCc1ccccc1 34a_100015324214_100102629194 [0,2,0,0,0,0|1,0,0]=3 6639 B12R1.8 C/C=C/COCc1ccccc1 34a_100000210790_100102629194 [0,2,0,0,0,0|2,0,0]=4 6640 B12R1.8 C/C=C/COCc1ccccc1 34a_100016270725_100015291786 [0,2,0,0,0,0|2,0,0]=4 6641 B12R1.8 C/C=C/COCc1ccccc1 7a_100000210790_100102629194 [0,2,0,0,0,0|2,0,0]=4 6642 B12R1.8 C/C=C/CSCc1ccccc1 62a_100000211182_100102629194 [0,2,0,0,0,0|2,0,0]=4 6643 B12R1.8 C/C=C/CSCc1ccccc1 62a_100102629194_100015291786 [0,2,0,0,0,0|2,0,0]=4 6644 B12R1.8 C=CCCCNc1ccccc1 34a_100000106764_100000757094 [0,2,0,0,0,0|2,0,0]=4 6645 B12R1.8 C=CCCCOc1ccccc1 34a_100000210340_100000757094 [0,2,0,0,0,0|2,0,0]=4 6646 B12R1.8 C=CCCCOc1ccccc1 7a_100000210340_100000757094 [0,2,0,0,0,0|2,0,0]=4 6647 B12R1.8 C=CCCCSc1ccccc1 62a_100000719477_100000757094 [0,2,0,0,0,0|2,0,0]=4 6648 B12R1.8 C=CCCCSc1ccccc1 62a_100011713584_100000041952 [0,2,0,0,0,0|2,0,0]=4 6649 B12R1.8 C=CCCNCc1ccccc1 207a_100015191253_100015611070 [0,2,0,0,0,0|1,0,0]=3 6650 B12R1.8 C=CCCNCc1ccccc1 2230a_100015191253_100015291786 [0,2,0,0,0,0|1,0,0]=3 6651 B12R1.8 C=CCCNCc1ccccc1 2230a_100015324214_100000754431 [0,2,0,0,0,0|1,0,0]=3 6652 B12R1.8 C=CCCNCc1ccccc1 270004a_100015191253_100015611070 [0,2,0,0,0,0|1,0,0]=3 6653 B12R1.8 C=CCCNCc1ccccc1 34a_100015324214_100000754431 [0,2,0,0,0,0|1,0,0]=3 6654 B12R1.8 C=CCCNCc1ccccn1 207a_100015191253_100000209966 [0,2,0,0,0,0|2,0,0]=4 6655 B12R1.8 C=CCCNCc1ccccn1 2230a_100015191253_100000721315 [0,2,0,0,0,0|2,0,0]=4 6656 B12R1.8 C=CCCNCc1ccccn1 270004a_100015191253_100000209966 [0,2,0,0,0,0|2,0,0]=4 6657 B12R1.8 C=CCCNCc1cccnc1 207a_100015191253_100000209961 [0,2,0,0,0,0|2,0,0]=4 6658 B12R1.8 C=CCCNCc1cccnc1 2230a_100015191253_100000741622 [0,2,0,0,0,0|2,0,0]=4 6659 B12R1.8 C=CCCNCc1cccnc1 270004a_100015191253_100000209961 [0,2,0,0,0,0|2,0,0]=4 6660 B12R1.8 C=CCCNCc1ccncc1 207a_100015191253_100000186114 [0,2,0,0,0,0|2,0,0]=4 6661 B12R1.8 C=CCCNCc1ccncc1 2230a_100015191253_100015193705 [0,2,0,0,0,0|2,0,0]=4 6662 B12R1.8 C=CCCOCc1ccccc1 34a_100000210790_100000754431 [0,2,0,0,0,0|2,0,0]=4 6663 B12R1.8 C=CCCOCc1ccccc1 34a_100011205117_100015291786 [0,2,0,0,0,0|2,0,0]=4 6664 B12R1.8 C=CCCOCc1ccccc1 7a_100000210790_100000754431 [0,2,0,0,0,0|2,0,0]=4 6665 B12R1.8 C=CCCSCc1ccccc1 62a_100000211182_100000754431 [0,2,0,0,0,0|2,0,0]=4 6666 B12R1.8 C=CCCSCc1ccccc1 62a_100000754431_100015291786 [0,2,0,0,0,0|2,0,0]=4 6667 B12R1.8 C=CCNCCc1ccccc1 2230a_100000106460_100000210623 [0,2,0,0,0,0|1,0,0]=3 6668 B12R1.8 C=CCNCCc1ccccc1 2230a_100020586998_100000765856 [0,2,0,0,0,0|1,0,0]=3 6669 B12R1.8 C=CCNCCc1ccccc1 34a_100000106460_100015514636 [0,2,0,0,0,0|1,0,0]=3 6670 B12R1.8 C=CCNCCc1ccccn1 2230a_100020586998_100015183660 [0,2,0,0,0,0|2,0,0]=4 6671 B12R1.8 C=CCNCCc1cccnc1 2230a_100000736294_100000210623 [0,2,0,0,0,0|2,0,0]=4 6672 B12R1.8 C=CCNCCc1cccnc1 2230a_100020586998_200011713674 [0,2,0,0,0,0|2,0,0]=4 6673 B12R1.8 C=CCNCCc1ccncc1 2230a_100020586998_100000723409 [0,2,0,0,0,0|2,0,0]=4 6674 B12R1.8 C=CCNCSc1ccccc1 2230a_100020586998_100011218342 [0,2,0,0,0,0|1,0,0]=3 6675 B12R1.8 C=CCOCCc1ccccc1 34a_100000210268_100015514636 [0,2,0,0,0,0|2,0,0]=4 6676 B12R1.8 C=CCOCCc1ccccc1 34a_200000210373_100000765856 [0,2,0,0,0,0|2,0,0]=4 6677 B12R1.8 C=CCOCCc1ccccc1 7a_100000210268_100015514636 [0,2,0,0,0,0|2,0,0]=4 6678 B12R1.8 C=CCSCCc1ccccc1 62a_100000210623_100011218657 [0,2,0,0,0,0|2,0,0]=4 6679 B12R1.8 C=CCSCCc1ccccc1 62a_100000765856_100000210623 [0,2,0,0,0,0|2,0,0]=4 6680 B12R1.8 C=CCSCSc1ccccc1 62a_100000210623_100011218342 [0,2,0,0,0,0|2,0,0]=4 6681 B12R1.8 C=CCSCSc1ccccc1 62a_100011218342_100000210623 [0,2,0,0,0,0|2,0,0]=4 6682 B12R1.8 C=COCCNc1ccccc1 34a_100000106764_100000039644 [0,2,0,0,0,0|2,0,0]=4 6683 B12R1.8 C=COCCOc1ccccc1 34a_100000210340_100000039644 [0,2,0,0,0,0|2,0,0]=4 6684 B12R1.8 C=COCCOc1ccccc1 7a_100000210340_100000039644 [0,2,0,0,0,0|2,0,0]=4 6685 B12R1.8 C=COCCSc1ccccc1 62a_100000039644_100000041952 [0,2,0,0,0,0|2,0,0]=4 6686 B12R1.8 C=COCCSc1ccccc1 62a_100000719477_100000039644 [0,2,0,0,0,0|2,0,0]=4 6687 B12R1.8 CC#CCNCc1ccccc1 2230a_100000685387_100015291786 [0,2,0,0,0,0|1,0,1]=4 6688 B12R1.8 CC#CCNCc1ccccc1 2230a_100015324214_100000748600 [0,2,0,0,0,0|1,0,1]=4 6689 B12R1.8 CC#CCNCc1ccccc1 34a_100000685387_100015291786 [0,2,0,0,0,0|1,0,1]=4 6690 B12R1.8 CC#CCNCc1ccccc1 34a_100015324214_100000748600 [0,2,0,0,0,0|1,0,1]=4 6691 B12R1.8 CC/C=C\CNc1ccccc1 34a_100000106764_100103147603 [0,2,0,0,0,0|2,0,0]=4 6692 B12R1.8 CC/C=C\COc1ccccc1 34a_100000210340_100103147603 [0,2,0,0,0,0|2,0,0]=4 6693 B12R1.8 CC/C=C\COc1ccccc1 7a_100000210340_100103147603 [0,2,0,0,0,0|2,0,0]=4 6694 B12R1.8 CC/C=C\CSc1ccccc1 62a_100000719477_100103147603 [0,2,0,0,0,0|2,0,0]=4 6695 B12R1.8 CC/C=C\CSc1ccccc1 62a_100103147603_100000041952 [0,2,0,0,0,0|2,0,0]=4 6696 B12R1.8 CC=CCNCc1ccccc1 2230a_100015324214_100000070051 [0,2,0,0,0,0|1,0,0]=3 6697 B12R1.8 CC=CCNCc1ccccc1 34a_100015324214_100000070051 [0,2,0,0,0,0|1,0,0]=3 6698 B12R1.8 CC=CCOCc1ccccc1 34a_100000210790_100000070051 [0,2,0,0,0,0|2,0,0]=4 6699 B12R1.8 CC=CCOCc1ccccc1 7a_100000210790_100000070051 [0,2,0,0,0,0|2,0,0]=4 6700 B12R1.8 CC=CCSCc1ccccc1 62a_100000070051_100015291786 [0,2,0,0,0,0|2,0,0]=4 6701 B12R1.8 CC=CCSCc1ccccc1 62a_100000211182_100000070051 [0,2,0,0,0,0|2,0,0]=4 6702 B12R1.8 CC=NNCCc1ccccc1 4a_100000740470_200000210099 [0,2,0,0,0,0|1,0,0]=3 6703 B12R1.8 CCC=NNCc1ccccc1 4a_100000007032_100000210100 [0,2,0,0,0,0|1,0,0]=3 6704 B12R1.8 CCC=NNCc1ccccn1 4a_100000736832_100000210100 [0,2,0,0,0,0|2,0,0]=4 6705 B12R1.8 CCC=NNCc1cccnc1 4a_100000738295_100000210100 [0,2,0,0,0,0|2,0,0]=4 6706 B12R1.8 CCC=NNCc1ccncc1 4a_100000736929_100000210100 [0,2,0,0,0,0|2,0,0]=4 6707 B12R1.8 CCCCNCc1ccccc1 207a_100000102301_100015611070 [0,2,0,0,0,0|1,0,1]=4 6708 B12R1.8 CCCCNCc1ccccc1 2230a_100000102301_100015291786 [0,2,0,0,0,0|1,0,1]=4 6709 B12R1.8 CCCCNCc1ccccc1 2230a_100015324214_100000210211 [0,2,0,0,0,0|1,0,1]=4 6710 B12R1.8 CCCCNCc1ccccc1 270004a_100000102301_100015611070 [0,2,0,0,0,0|1,0,1]=4 6711 B12R1.8 CCCCNCc1ccccc1 34a_100015324214_100000210210 [0,2,0,0,0,0|1,0,1]=4 6712 B12R1.8 CCCCNCc1ccccc1 7a_106832991798_100000211182 [0,2,0,0,0,0|1,0,1]=4 6713 B12R1.8 CCCNCCc1ccccc1 2230a_100000106460_100000210303 [0,2,0,0,0,0|1,0,1]=4 6714 B12R1.8 CCCNCCc1ccccc1 34a_100000106460_100000210303 [0,2,0,0,0,0|1,0,1]=4 6715 B12R1.8 CCNC/C=C/c1ccccc1 2230a_100015525214_100016265936 [0,2,0,0,0,0|1,0,1]=4 6716 B12R1.8 CCNC/C=C/c1ccccc1 2230a_100020603302_100000210202 [0,2,0,0,0,0|1,0,1]=4 6717 B12R1.8 CCNC/C=C/c1ccccc1 34a_100020603302_100000210202 [0,2,0,0,0,0|1,0,1]=4 6718 B12R1.8 CCNCC#Cc1ccccc1 2230a_100015525214_100011352542 [0,2,0,0,0,0|1,0,1]=4 6719 B12R1.8 CCNCC#Cc1ccccc1 34a_100000735379_100000210202 [0,2,0,0,0,0|1,0,1]=4 6720 B12R1.8 CCNCC=Cc1ccccc1 270004a_100015525214_100000210105 [0,2,0,0,0,0|1,0,1]=4 6721 B12R1.8 CCNCCCc1ccccc1 2230a_100000211184_100000210202 [0,2,0,0,0,0|1,0,1]=4 6722 B12R1.8 CCNCCCc1ccccc1 2230a_100015525214_100000211621 [0,2,0,0,0,0|1,0,1]=4 6723 B12R1.8 CCNCCCc1ccccc1 34a_100000211184_100000210202 [0,2,0,0,0,0|1,0,1]=4 6724 B12R1.8 CCNCCOc1ccccc1 2230a_100000174943_100000210202 [0,2,0,0,0,0|1,0,1]=4 6725 B12R1.8 CCNCCOc1ccccc1 2230a_100015525214_100000184471 [0,2,0,0,0,0|1,0,1]=4 6726 B12R1.8 CCNCCOc1ccccc1 270004a_100015525214_100000758736 [0,2,0,0,0,0|1,0,1]=4 6727 B12R1.8 CCNCCOc1ccccc1 34a_100000174943_100000210202 [0,2,0,0,0,0|1,0,1]=4 6728 B12R1.8 CCNCCSc1ccccc1 2230a_100000189519_100000210202 [0,2,0,0,0,0|1,0,1]=4 6729 B12R1.8 CCNCCSc1ccccc1 2230a_100015525214_100000246102 [0,2,0,0,0,0|1,0,1]=4 6730 B12R1.8 CCNCOCc1ccccc1 2230a_100015525214_100000763385 [0,2,0,0,0,0|1,0,1]=4 6731 B12R1.8 CCNCSCc1ccccc1 2230a_100015525214_200011217039 [0,2,0,0,0,0|1,0,1]=4 6732 B12R1.8 CCNN=CCc1ccccc1 4a_100000756455_100000209964 [0,2,0,0,0,0|1,0,1]=4 6733 B12R1.8 COCCNCc1ccccc1 207a_100000209980_100015611070 [0,2,0,0,0,0|0,0,2]=4 6734 B12R1.8 COCCNCc1ccccc1 2230a_100000209980_100015291786 [0,2,0,0,0,0|0,0,2]=4 6735 B12R1.8 COCCNCc1ccccc1 2230a_100015324214_100011201679 [0,2,0,0,0,0|0,0,2]=4 6736 B12R1.8 COCCNCc1ccccc1 270004a_100000209980_100015611070 [0,2,0,0,0,0|0,0,2]=4 6737 B12R1.8 COCCNCc1ccccc1 34a_100000180844_200000210301 [0,2,0,0,0,0|0,0,2]=4 6738 B12R1.8 COCCNCc1ccccc1 34a_100015324214_100011201679 [0,2,0,0,0,0|0,0,2]=4 6739 B12R1.8 COCNCCc1ccccc1 2230a_100000106460_100000766300 [0,2,0,0,0,0|0,0,2]=4 6740 B12R1.8 CSCCNCc1ccccc1 207a_100020590264_100015611070 [0,2,0,0,0,0|0,1,1]=4 6741 B12R1.8 CSCCNCc1ccccc1 2230a_100015324214_100000751147 [0,2,0,0,0,0|0,1,1]=4 6742 B12R1.8 CSCCNCc1ccccc1 2230a_100020590264_100015291786 [0,2,0,0,0,0|0,1,1]=4 6743 B12R1.8 CSCCNCc1ccccc1 270004a_100020590264_100015611070 [0,2,0,0,0,0|0,1,1]=4 6744 B12R1.8 CSCCNCc1ccccc1 34a_100015324214_100000212216 [0,2,0,0,0,0|0,1,1]=4 6745 B12R1.8 CSCNCCc1ccccc1 2230a_100000106460_100011218213 [0,2,0,0,0,0|0,1,1]=4 6746 B12R1.8 CSCNCCc1ccccc1 34a_100000106460_100011218213 [0,2,0,0,0,0|0,1,1]=4 6747 B12R1.8 FCCCNCc1ccccc1 207a_100015189416_100015611070 [0,2,0,0,0,0|1,0,1]=4 6748 B12R1.8 FCCCNCc1ccccc1 2230a_100015189416_100015291786 [0,2,0,0,0,0|1,0,1]=4 6749 B12R1.8 FCCCNCc1ccccc1 2230a_100015324214_100011934791 [0,2,0,0,0,0|1,0,1]=4 6750 B12R1.8 FCCCNCc1ccccc1 270004a_100015189416_100015611070 [0,2,0,0,0,0|1,0,1]=4 6751 B12R1.8 FCCCNCc1ccccc1 34a_100015189416_100015291786 [0,2,0,0,0,0|1,0,1]=4 6752 B12R1.8 FCCCNCc1ccccc1 34a_100015324214_100011934791 [0,2,0,0,0,0|1,0,1]=4 6753 B12R1.8 FCCNCCc1ccccc1 2230a_100000106460_100011217306 [0,2,0,0,0,0|1,0,1]=4 6754 B12R1.8 FCCNCCc1ccccc1 34a_100000106460_100011217306 [0,2,0,0,0,0|1,0,1]=4 6755 B12R1.8 FCCNCCc1ccccc1 34a_100000724931_100000765856 [0,2,0,0,0,0|1,0,1]=4 6756 B12R1.8 FCNC/C=C/c1ccccc1 34a_100020603302_100015361967 [0,2,0,0,0,0|1,0,1]=4 6757 B12R1.8 FCNCC#Cc1ccccc1 34a_100000735379_100015361967 [0,2,0,0,0,0|1,0,1]=4 6758 B12R1.8 FCNCCCc1ccccc1 34a_100000211184_100015361967 [0,2,0,0,0,0|1,0,1]=4 6759 B12R1.8 FCNCCOc1ccccc1 34a_100000174943_100015361967 [0,2,0,0,0,0|1,0,1]=4 6760 B12R1.8 N#CCCNCc1ccccc1 2230a_100015324214_100011215226 [0,2,0,0,0,0|1,0,1]=4 6761 B12R1.8 N#CCCNCc1ccccc1 270004a_100000720768_100015611070 [0,2,0,0,0,0|1,0,1]=4 6762 B12R1.8 N#CCNCCc1ccccc1 2230a_100000106460_100011215382 [0,2,0,0,0,0|1,0,1]=4 6763 B12R1.8 O=CCCCOc1ccccc1 7a_100000210340_200011292268 [0,2,0,0,0,0|1,0,0]=3 6764 B12R1.8 O=CCCCOc1cccnc1 7a_100000210849_200011292268 [0,2,0,0,0,0|2,0,0]=4 6765 B12R1.8 O=CCCCSc1ccccc1 62a_100000719477_200011292268 [0,2,0,0,0,0|1,0,0]=3 6766 B12R1.8 O=CCCCSc1ccccc1 62a_200011292268_100000041952 [0,2,0,0,0,0|1,0,0]=3 6767 B12R1.8 O=CCCCSc1ccccn1 62a_100011216584_200011292268 [0,2,0,0,0,0|2,0,0]=4 6768 B12R1.8 O=CCCCSc1ccccn1 62a_200011292268_100011216584 [0,2,0,0,0,0|2,0,0]=4 6769 B12R1.8 O=CCCCSc1cccnc1 62a_100000210063_200011292268 [0,2,0,0,0,0|2,0,0]=4 6770 B12R1.8 O=CCCCSc1cccnc1 62a_200011292268_100000210063 [0,2,0,0,0,0|2,0,0]=4 6771 B12R1.8 O=CCCCSc1ccncc1 62a_100000728582_200011292268 [0,2,0,0,0,0|2,0,0]=4 6772 B12R1.8 O=CCCCSc1ccncc1 62a_200011292268_100000728582 [0,2,0,0,0,0|2,0,0]=4 6773 B12R1.8 O=CCNCCc1ccccc1 2230a_100000106460_200015260668 [0,2,0,0,0,0|0,0,0]=2 6774 B12R1.8 O=CCNCCc1ccccc1 34a_100000106460_200009817547 [0,2,0,0,0,0|0,0,0]=2 6775 B12R1.8 O=CCNCCc1cccnc1 2230a_100000736294_200015260668 [0,2,0,0,0,0|1,0,0]=3 6776 B12R1.8 O=CCOCCc1ccccc1 34a_100000210268_200009817547 [0,2,0,0,0,0|1,0,0]=3 6777 B12R1.8 O=CCOCCc1ccccc1 7a_100000210268_200015260668 [0,2,0,0,0,0|1,0,0]=3 6778 B12R1.8 O=CCOCCc1ccccn1 34a_100000210271_200009817547 [0,2,0,0,0,0|2,0,0]=4 6779 B12R1.8 O=CCOCCc1cccnc1 34a_100011217484_200009817547 [0,2,0,0,0,0|2,0,0]=4 6780 B12R1.8 O=CCOCCc1ccncc1 34a_100011216225_200009817547 [0,2,0,0,0,0|2,0,0]=4 6781 B12R1.8 O=CCSCCc1ccccc1 62a_100000765856_200015260668 [0,2,0,0,0,0|1,0,0]=3 6782 B12R1.8 O=CCSCCc1ccccc1 62a_200015260668_100011218657 [0,2,0,0,0,0|1,0,0]=3 6783 B12R1.8 O=CCSCCc1ccccn1 62a_100015183660_200015260668 [0,2,0,0,0,0|2,0,0]=4 6784 B12R1.8 O=CCSCCc1ccccn1 62a_200015260668_100015183660 [0,2,0,0,0,0|2,0,0]=4 6785 B12R1.8 O=CCSCCc1cccnc1 62a_200011713674_200015260668 [0,2,0,0,0,0|2,0,0]=4 6786 B12R1.8 O=CCSCCc1cccnc1 62a_200015260668_200011713674 [0,2,0,0,0,0|2,0,0]=4 6787 B12R1.8 O=CCSCCc1ccncc1 62a_100000723409_200015260668 [0,2,0,0,0,0|2,0,0]=4 6788 B12R1.8 O=CCSCCc1ccncc1 62a_200015260668_100000723409 [0,2,0,0,0,0|2,0,0]=4 6789 B12R1.8 O=CCSCSc1ccccc1 62a_100011218342_200015260668 [0,2,0,0,0,0|1,0,0]=3 6790 B12R1.8 O=CCSCSc1ccccc1 62a_200015260668_100011218342 [0,2,0,0,0,0|1,0,0]=3 6791 B12R1.8 OCCCNCc1ccccc1 207a_100000182051_100015611070 [0,2,0,0,0,0|0,0,2]=4 6792 B12R1.8 OCCCNCc1ccccc1 2230a_100015324214_100000230001 [0,2,0,0,0,0|0,0,2]=4 6793 B12R1.8 OCCCNCc1ccccc1 270004a_100000182051_100015611070 [0,2,0,0,0,0|0,0,2]=4 6794 B12R1.8 OCCCNCc1ccccc1 34a_100015324214_100000230001 [0,2,0,0,0,0|0,0,2]=4 6795 B12R1.8 OCCNCCc1ccccc1 2230a_100000106460_100000211926 [0,2,0,0,0,0|0,0,2]=4 6796 B12R1.8 OCCNCCc1ccccc1 2230a_100016997473_100000765856 [0,2,0,0,0,0|0,0,2]=4 6797 B12R1.8 OCCNCCc1ccccc1 34a_100000106460_100000211926 [0,2,0,0,0,0|0,0,2]=4 6798 B12R1.8 OCCNCCc1ccccc1 34a_100016990907_100000765856 [0,2,0,0,0,0|0,0,2]=4 6799 B12R1.8 OCCNCSc1ccccc1 2230a_100016997473_100011218342 [0,2,0,0,0,0|0,0,2]=4 6800 B12R1.8 [13CH3]OCCNCc1ccccc1 34a_100000180844_200025704644 [0,2,0,0,0,0|0,0,2]=4 6801 B12R1.27 C#CC(=O)CCc1ccccc1 1458a_100000211873_100000765856 [0,2,0,0,0,0|1,0,0]=3 6802 B12R1.27 C#CC(=O)CCc1ccccn1 1458a_100000211873_100015183660 [0,2,0,0,0,0|2,0,0]=4 6803 B12R1.27 C#CC(=O)CCc1cccnc1 1458a_100000211873_200011713674 [0,2,0,0,0,0|2,0,0]=4 6804 B12R1.27 C#CC(=O)CCc1ccncc1 1458a_100000211873_100000723409 [0,2,0,0,0,0|2,0,0]=4 6805 B12R1.27 C#CC(C)NCc1ccccc1 2230a_100000707721_100015291786 [0,2,0,0,0,0|1,0,1]=4 6806 B12R1.27 C#CC(C)NCc1ccccc1 270004a_100000707721_100015611070 [0,2,0,0,0,0|1,0,1]=4 6807 B12R1.27 C#CC(C)NCc1ccccc1 34a_100000707721_100015291786 [0,2,0,0,0,0|1,0,1]=4 6808 B12R1.27 C#CC(C)NCc1ccccc1 34a_100015324214_200000035995 [0,2,0,0,0,0|1,0,1]=4 6809 B12R1.27 C=CC(=O)CCc1ccccc1 1458a_100000185746_100000765856 [0,2,0,0,0,0|1,0,0]=3 6810 B12R1.27 C=CC(=O)CCc1ccccn1 1458a_100000185746_100015183660 [0,2,0,0,0,0|2,0,0]=4 6811 B12R1.27 C=CC(=O)CCc1cccnc1 1458a_100000185746_200011713674 [0,2,0,0,0,0|2,0,0]=4 6812 B12R1.27 C=CC(=O)CCc1ccncc1 1458a_100000185746_100000723409 [0,2,0,0,0,0|2,0,0]=4 6813 B12R1.27 C=CC(=O)NCc1ccccc1 1626a_100015324214_100000185746 [0,2,0,0,0,0|0,0,0]=2 6814 B12R1.27 C=CC(=O)NCc1ccccc1 240690a_100015324214_200121576911 [0,2,0,0,0,0|0,0,0]=2 6815 B12R1.27 C=CC(=O)NCc1ccccn1 1626a_100000210449_100000185746 [0,2,0,0,0,0|1,0,0]=3 6816 B12R1.27 C=CC(=O)NCc1ccccn1 240690a_100000210449_200121576911 [0,2,0,0,0,0|1,0,0]=3 6817 B12R1.27 C=CC(=O)NCc1cccnc1 240690a_100000210453_200121576911 [0,2,0,0,0,0|1,0,0]=3 6818 B12R1.27 C=CC(=O)NCc1cccnn1 240690a_100159270163_200121576911 [0,2,0,0,0,0|2,0,0]=4 6819 B12R1.27 C=CC(=O)NCc1ccncc1 1626a_100000210450_100000185746 [0,2,0,0,0,0|1,0,0]=3 6820 B12R1.27 C=CC(=O)NCc1ccncc1 240690a_100000210450_200121576911 [0,2,0,0,0,0|1,0,0]=3 6821 B12R1.27 C=CC(=O)NCc1ccncn1 240690a_100000736019_200121576911 [0,2,0,0,0,0|2,0,0]=4 6822 B12R1.27 C=CC(=O)NCc1cnccn1 240690a_100000737960_200121576911 [0,2,0,0,0,0|2,0,0]=4 6823 B12R1.27 C=CC(=O)NCc1cncnc1 240690a_100011243677_200121576911 [0,2,0,0,0,0|2,0,0]=4 6824 B12R1.27 C=CC(=O)NCc1ncccn1 240690a_100015189908_200121576911 [0,2,0,0,0,0|2,0,0]=4 6825 B12R1.27 C=CC(=O)NNc1ccccc1 22a_100015195140_100000185746 [0,2,0,0,0,0|1,0,0]=3 6826 B12R1.27 C=CC(=O)NNc1ccccn1 22a_100000183288_100000185746 [0,2,0,0,0,0|2,0,0]=4 6827 B12R1.27 C=CC(=O)NNc1cccnc1 22a_100000728903_100000185746 [0,2,0,0,0,0|2,0,0]=4 6828 B12R1.27 C=CC(=O)NNc1ccncc1 22a_100000698918_100000185746 [0,2,0,0,0,0|2,0,0]=4 6829 B12R1.27 C=CC(C)OCc1ccccc1 34a_100000695699_100015291786 [0,2,0,0,0,0|2,0,0]=4 6830 B12R1.27 C=CC(C)SCc1ccccc1 62a_100011215867_100015291786 [0,2,0,0,0,0|2,0,0]=4 6831 B12R1.27 C=CC(O)CNc1ccccc1 34a_100000106764_100000730141 [0,2,0,0,0,0|2,0,0]=4 6832 B12R1.27 C=CC(O)COc1ccccc1 34a_100000210340_100000730141 [0,2,0,0,0,0|2,0,0]=4 6833 B12R1.27 C=CC(O)COc1ccccc1 7a_100000210340_100000730141 [0,2,0,0,0,0|2,0,0]=4 6834 B12R1.27 C=CC(O)CSc1ccccc1 62a_100000719477_100000730141 [0,2,0,0,0,0|2,0,0]=4 6835 B12R1.27 C=CC(O)CSc1ccccc1 62a_100000730141_100000041952 [0,2,0,0,0,0|2,0,0]=4 6836 B12R1.27 CC(C#N)NCc1ccccc1 2230a_100000737613_100015291786 [0,2,0,0,0,0|1,0,1]=4 6837 B12R1.27 CC(C#N)NCc1ccccc1 2230a_100015324214_100000184139 [0,2,0,0,0,0|1,0,1]=4 6838 B12R1.27 CC(CO)NCc1ccccc1 2230a_100015324214_100012180447 [0,2,0,0,0,0|0,0,2]=4 6839 B12R1.27 CC(CO)NCc1ccccc1 34a_100015324214_100012180447 [0,2,0,0,0,0|0,0,2]=4 6840 B12R1.27 CCC(=O)C#Cc1ccccc1 1458a_100000736102_100000210202 [0,2,0,0,0,0|1,0,1]=4 6841 B12R1.27 CCC(=O)C=Cc1ccccc1 1458a_100000210462_100000210202 [0,2,0,0,0,0|1,0,1]=4 6842 B12R1.27 CCC(=O)CCc1ccccc1 1458a_100000185753_100000210202 [0,2,0,0,0,0|1,0,0]=3 6843 B12R1.27 CCC(=O)CCc1ccccc1 1458a_100000210414_100000765856 [0,2,0,0,0,0|1,0,0]=3 6844 B12R1.27 CCC(=O)CCc1ccccn1 1458a_100000210414_100015183660 [0,2,0,0,0,0|2,0,0]=4 6845 B12R1.27 CCC(=O)CCc1ccccn1 1458a_100015195070_100000210202 [0,2,0,0,0,0|2,0,0]=4 6846 B12R1.27 CCC(=O)CCc1cccnc1 1458a_100000198484_100000210202 [0,2,0,0,0,0|2,0,0]=4 6847 B12R1.27 CCC(=O)CCc1cccnc1 1458a_100000210414_200011713674 [0,2,0,0,0,0|2,0,0]=4 6848 B12R1.27 CCC(=O)CCc1ccncc1 1458a_100000210414_100000723409 [0,2,0,0,0,0|2,0,0]=4 6849 B12R1.27 CCC(=O)CCc1ccncc1 1458a_100011225043_100000210202 [0,2,0,0,0,0|2,0,0]=4 6850 B12R1.27 CCC(=O)COc1ccccc1 1458a_100000186222_100000210202 [0,2,0,0,0,0|2,0,0]=4 6851 B12R1.27 CCC(=O)COc1ccccc1 7a_100000210340_100000747405 [0,2,0,0,0,0|2,0,0]=4 6852 B12R1.27 CCC(=O)CSc1ccccc1 1458a_100000211596_100000210202 [0,2,0,0,0,0|2,0,0]=4 6853 B12R1.27 CCC(=O)CSc1ccccc1 62a_100000719477_100000747405 [0,2,0,0,0,0|2,0,0]=4 6854 B12R1.27 CCC(=O)CSc1ccccc1 62a_100000747405_100000041952 [0,2,0,0,0,0|2,0,0]=4 6855 B12R1.27 CCC(=O)NCc1ccccc1 11a_100015324214_100000210414 [0,2,0,0,0,0|0,0,0]=2 6856 B12R1.27 CCC(=O)NCc1ccccc1 1626a_100015324214_100000210414 [0,2,0,0,0,0|0,0,0]=2 6857 B12R1.27 CCC(=O)NCc1ccccc1 240690a_100015324214_100000210414 [0,2,0,0,0,0|0,0,0]=2 6858 B12R1.27 CCC(=O)NCc1ccccc1 527a_100015324214_100000210414 [0,2,0,0,0,0|0,0,0]=2 6859 B12R1.27 CCC(=O)NCc1ccccn1 11a_100000210449_100000210414 [0,2,0,0,0,0|1,0,0]=3 6860 B12R1.27 CCC(=O)NCc1ccccn1 1626a_100000210449_100000210414 [0,2,0,0,0,0|1,0,0]=3 6861 B12R1.27 CCC(=O)NCc1ccccn1 240690a_100000210449_100000210414 [0,2,0,0,0,0|1,0,0]=3 6862 B12R1.27 CCC(=O)NCc1ccccn1 527a_100000210449_100000210414 [0,2,0,0,0,0|1,0,0]=3 6863 B12R1.27 CCC(=O)NCc1cccnc1 11a_100000210453_100000210414 [0,2,0,0,0,0|1,0,0]=3 6864 B12R1.27 CCC(=O)NCc1cccnc1 240690a_100000210453_100000210414 [0,2,0,0,0,0|1,0,0]=3 6865 B12R1.27 CCC(=O)NCc1cccnc1 527a_100000210453_100000210414 [0,2,0,0,0,0|1,0,0]=3 6866 B12R1.27 CCC(=O)NCc1cccnn1 11a_100159270163_100000210414 [0,2,0,0,0,0|2,0,0]=4 6867 B12R1.27 CCC(=O)NCc1cccnn1 240690a_100159270163_100000210414 [0,2,0,0,0,0|2,0,0]=4 6868 B12R1.27 CCC(=O)NCc1cccnn1 527a_100159270163_100000210414 [0,2,0,0,0,0|2,0,0]=4 6869 B12R1.27 CCC(=O)NCc1ccncc1 11a_100000210450_100000210414 [0,2,0,0,0,0|1,0,0]=3 6870 B12R1.27 CCC(=O)NCc1ccncc1 1626a_100000210450_100000210414 [0,2,0,0,0,0|1,0,0]=3 6871 B12R1.27 CCC(=O)NCc1ccncc1 240690a_100000210450_100000210414 [0,2,0,0,0,0|1,0,0]=3 6872 B12R1.27 CCC(=O)NCc1ccncc1 527a_100000210450_100000210414 [0,2,0,0,0,0|1,0,0]=3 6873 B12R1.27 CCC(=O)NCc1ccncn1 11a_100000736019_100000210414 [0,2,0,0,0,0|2,0,0]=4 6874 B12R1.27 CCC(=O)NCc1ccncn1 240690a_100000736019_100000210414 [0,2,0,0,0,0|2,0,0]=4 6875 B12R1.27 CCC(=O)NCc1ccncn1 527a_100000736019_100000210414 [0,2,0,0,0,0|2,0,0]=4 6876 B12R1.27 CCC(=O)NCc1cnccn1 11a_100000737960_100000210414 [0,2,0,0,0,0|2,0,0]=4 6877 B12R1.27 CCC(=O)NCc1cnccn1 240690a_100000737960_100000210414 [0,2,0,0,0,0|2,0,0]=4 6878 B12R1.27 CCC(=O)NCc1cnccn1 527a_100000737960_100000210414 [0,2,0,0,0,0|2,0,0]=4 6879 B12R1.27 CCC(=O)NCc1cncnc1 11a_100011243677_100000210414 [0,2,0,0,0,0|2,0,0]=4 6880 B12R1.27 CCC(=O)NCc1cncnc1 240690a_100011243677_100000210414 [0,2,0,0,0,0|2,0,0]=4 6881 B12R1.27 CCC(=O)NCc1cncnc1 527a_100011243677_100000210414 [0,2,0,0,0,0|2,0,0]=4 6882 B12R1.27 CCC(=O)NCc1ncccn1 11a_100015189908_100000210414 [0,2,0,0,0,0|2,0,0]=4 6883 B12R1.27 CCC(=O)NCc1ncccn1 240690a_100015189908_100000210414 [0,2,0,0,0,0|2,0,0]=4 6884 B12R1.27 CCC(=O)NCc1ncccn1 527a_100015189908_100000210414 [0,2,0,0,0,0|2,0,0]=4 6885 B12R1.27 CCC(=O)NNc1ccccc1 22a_100015195140_100000210414 [0,2,0,0,0,0|1,0,0]=3 6886 B12R1.27 CCC(=O)NNc1ccccn1 22a_100000183288_100000210414 [0,2,0,0,0,0|2,0,0]=4 6887 B12R1.27 CCC(=O)NNc1cccnc1 22a_100000728903_100000210414 [0,2,0,0,0,0|2,0,0]=4 6888 B12R1.27 CCC(=O)NNc1ccncc1 22a_100000698918_100000210414 [0,2,0,0,0,0|2,0,0]=4 6889 B12R1.27 CCC(C)NCc1ccccc1 207a_100000209981_100015611070 [0,2,0,0,0,0|1,0,1]=4 6890 B12R1.27 CCC(C)NCc1ccccc1 2230a_100000209981_100015291786 [0,2,0,0,0,0|1,0,1]=4 6891 B12R1.27 CCC(C)NCc1ccccc1 2230a_100015324214_100000758301 [0,2,0,0,0,0|1,0,1]=4 6892 B12R1.27 CCC(C)NCc1ccccc1 270004a_100000209981_100015611070 [0,2,0,0,0,0|1,0,1]=4 6893 B12R1.27 CCC(C)NCc1ccccc1 34a_100015324214_100011215416 [0,2,0,0,0,0|1,0,1]=4 6894 B12R1.27 CCN(C)CCc1ccccc1 2230a_100000207497_100000210202 [0,2,0,0,0,0|1,0,1]=4 6895 B12R1.27 CCN(C)CCc1ccccc1 2230a_100000225621_100000765856 [0,2,0,0,0,0|1,0,1]=4 6896 B12R1.27 CCN(C)CCc1ccccc1 2230a_100000741020_200000210301 [0,2,0,0,0,0|1,0,1]=4 6897 B12R1.27 CCN(C)CCc1ccccc1 269982a_100000207497_100000204670 [0,2,0,0,0,0|1,0,1]=4 6898 B12R1.27 CCN(C)CCc1ccccc1 269982a_100000225621_100000765856 [0,2,0,0,0,0|1,0,1]=4 6899 B12R1.27 CCN(C)CCc1ccccc1 269982a_100000741020_200000210301 [0,2,0,0,0,0|1,0,1]=4 6900 B12R1.27 CCN(C)CSc1ccccc1 2230a_100000225621_100011218342 [0,2,0,0,0,0|1,0,1]=4 6901 B12R1.27 CCN(C)CSc1ccccc1 269982a_100000225621_100011218342 [0,2,0,0,0,0|1,0,1]=4 6902 B12R1.27 CCN([13CH3])CCc1ccccc1 2230a_100000741020_200025704644 [0,2,0,0,0,0|1,0,1]=4 6903 B12R1.27 CCN([13CH3])CCc1ccccc1 269982a_100000741020_200025704644 [0,2,0,0,0,0|1,0,1]=4 6904 B12R1.27 CN(CF)CCc1ccccc1 269982a_100000207497_100015361967 [0,2,0,0,0,0|1,0,1]=4 6905 B12R1.27 CNC(=O)C#Cc1ccccc1 240690a_100102657272_100000736102 [0,2,0,0,0,0|1,0,1]=4 6906 B12R1.27 CNC(=O)C=Cc1ccccc1 11a_106832991635_100000210462 [0,2,0,0,0,0|1,0,1]=4 6907 B12R1.27 CNC(=O)C=Cc1ccccc1 1626a_100102657272_100000210462 [0,2,0,0,0,0|1,0,1]=4 6908 B12R1.27 CNC(=O)CCc1ccccc1 11a_106832991635_100000185753 [0,2,0,0,0,0|1,0,0]=3 6909 B12R1.27 CNC(=O)CCc1ccccc1 1626a_100102657272_100000185753 [0,2,0,0,0,0|1,0,0]=3 6910 B12R1.27 CNC(=O)CCc1ccccc1 240690a_100102657272_100000185753 [0,2,0,0,0,0|1,0,0]=3 6911 B12R1.27 CNC(=O)CCc1ccccc1 527a_100102657272_100000185753 [0,2,0,0,0,0|1,0,0]=3 6912 B12R1.27 CNC(=O)CCc1ccccn1 11a_106832991635_100015195070 [0,2,0,0,0,0|2,0,0]=4 6913 B12R1.27 CNC(=O)CCc1ccccn1 240690a_100102657272_100015195070 [0,2,0,0,0,0|2,0,0]=4 6914 B12R1.27 CNC(=O)CCc1ccccn1 527a_100102657272_100015195070 [0,2,0,0,0,0|2,0,0]=4 6915 B12R1.27 CNC(=O)CCc1cccnc1 11a_106832991635_100000198484 [0,2,0,0,0,0|2,0,0]=4 6916 B12R1.27 CNC(=O)CCc1cccnc1 1626a_100102657272_100000198484 [0,2,0,0,0,0|2,0,0]=4 6917 B12R1.27 CNC(=O)CCc1cccnc1 240690a_100102657272_100000198484 [0,2,0,0,0,0|2,0,0]=4 6918 B12R1.27 CNC(=O)CCc1cccnc1 527a_100102657272_100000198484 [0,2,0,0,0,0|2,0,0]=4 6919 B12R1.27 CNC(=O)CCc1ccncc1 11a_106832991635_100011225043 [0,2,0,0,0,0|2,0,0]=4 6920 B12R1.27 CNC(=O)CCc1ccncc1 240690a_100102657272_100011225043 [0,2,0,0,0,0|2,0,0]=4 6921 B12R1.27 CNC(=O)CCc1ccncc1 527a_100102657272_100011225043 [0,2,0,0,0,0|2,0,0]=4 6922 B12R1.27 CNC(=O)CNc1ccccc1 34a_100000106764_100000183359 [0,2,0,0,0,0|2,0,0]=4 6923 B12R1.27 CNC(=O)COc1ccccc1 11a_106832991635_100000186222 [0,2,0,0,0,0|2,0,0]=4 6924 B12R1.27 CNC(=O)COc1ccccc1 1626a_100102657272_100000186222 [0,2,0,0,0,0|2,0,0]=4 6925 B12R1.27 CNC(=O)COc1ccccc1 240690a_100102657272_100000186222 [0,2,0,0,0,0|2,0,0]=4 6926 B12R1.27 CNC(=O)COc1ccccc1 34a_100000210340_100000183359 [0,2,0,0,0,0|2,0,0]=4 6927 B12R1.27 CNC(=O)COc1ccccc1 527a_100102657272_100000186222 [0,2,0,0,0,0|2,0,0]=4 6928 B12R1.27 CNC(=O)COc1ccccc1 7a_100000210340_100000183359 [0,2,0,0,0,0|2,0,0]=4 6929 B12R1.27 CNC(=O)CSc1ccccc1 11a_106832991635_100000211596 [0,2,0,0,0,0|2,0,0]=4 6930 B12R1.27 CNC(=O)CSc1ccccc1 1626a_100102657272_100000211596 [0,2,0,0,0,0|2,0,0]=4 6931 B12R1.27 CNC(=O)CSc1ccccc1 240690a_100102657272_100000211596 [0,2,0,0,0,0|2,0,0]=4 6932 B12R1.27 CNC(=O)CSc1ccccc1 527a_100102657272_100000211596 [0,2,0,0,0,0|2,0,0]=4 6933 B12R1.27 CNC(=O)CSc1ccccc1 62a_100000183359_100000041952 [0,2,0,0,0,0|2,0,0]=4 6934 B12R1.27 CNC(=O)CSc1ccccc1 62a_100000719477_100000183359 [0,2,0,0,0,0|2,0,0]=4 6935 B12R1.27 CNC(=O)NCc1ccccc1 2708a_100015324214_106832991635 [0,2,0,0,0,0|0,0,0]=2 6936 B12R1.27 CNC(=O)NCc1ccccc1 2708a_100102657272_100015324214 [0,2,0,0,0,0|0,0,0]=2 6937 B12R1.27 CNC(=O)NCc1ccccc1 273464a_100015324214_100102657272 [0,2,0,0,0,0|0,0,0]=2 6938 B12R1.27 CNC(=O)NCc1ccccc1 273464a_100102657272_100015324214 [0,2,0,0,0,0|0,0,0]=2 6939 B12R1.27 CNC(=O)NCc1ccccc1 512a_100015324214_100102657272 [0,2,0,0,0,0|0,0,0]=2 6940 B12R1.27 CNC(=O)NCc1ccccc1 512a_106832991638_100015324214 [0,2,0,0,0,0|0,0,0]=2 6941 B12R1.27 CNC(=O)NCc1ccccn1 2708a_100000210449_106832991635 [0,2,0,0,0,0|1,0,0]=3 6942 B12R1.27 CNC(=O)NCc1ccccn1 2708a_100102657272_100000210449 [0,2,0,0,0,0|1,0,0]=3 6943 B12R1.27 CNC(=O)NCc1ccccn1 273464a_100000210449_100102657272 [0,2,0,0,0,0|1,0,0]=3 6944 B12R1.27 CNC(=O)NCc1ccccn1 273464a_100102657272_100000210449 [0,2,0,0,0,0|1,0,0]=3 6945 B12R1.27 CNC(=O)NCc1ccccn1 512a_106832991638_100000210449 [0,2,0,0,0,0|1,0,0]=3 6946 B12R1.27 CNC(=O)NCc1cccnc1 2708a_100000210453_106832991635 [0,2,0,0,0,0|1,0,0]=3 6947 B12R1.27 CNC(=O)NCc1cccnc1 2708a_100102657272_100000210453 [0,2,0,0,0,0|1,0,0]=3 6948 B12R1.27 CNC(=O)NCc1cccnc1 273464a_100000210453_100102657272 [0,2,0,0,0,0|1,0,0]=3 6949 B12R1.27 CNC(=O)NCc1cccnc1 273464a_100102657272_100000210453 [0,2,0,0,0,0|1,0,0]=3 6950 B12R1.27 CNC(=O)NCc1cccnc1 512a_100000210453_100102657272 [0,2,0,0,0,0|1,0,0]=3 6951 B12R1.27 CNC(=O)NCc1cccnc1 512a_106832991638_100000210453 [0,2,0,0,0,0|1,0,0]=3 6952 B12R1.27 CNC(=O)NCc1cccnn1 2708a_100102657272_100159270163 [0,2,0,0,0,0|2,0,0]=4 6953 B12R1.27 CNC(=O)NCc1cccnn1 2708a_100159270163_106832991635 [0,2,0,0,0,0|2,0,0]=4 6954 B12R1.27 CNC(=O)NCc1cccnn1 273464a_100102657272_100159270163 [0,2,0,0,0,0|2,0,0]=4 6955 B12R1.27 CNC(=O)NCc1cccnn1 273464a_100159270163_100102657272 [0,2,0,0,0,0|2,0,0]=4 6956 B12R1.27 CNC(=O)NCc1cccnn1 512a_100159270163_100102657272 [0,2,0,0,0,0|2,0,0]=4 6957 B12R1.27 CNC(=O)NCc1cccnn1 512a_106832991638_100159270163 [0,2,0,0,0,0|2,0,0]=4 6958 B12R1.27 CNC(=O)NCc1ccncc1 2708a_100000210450_106832991635 [0,2,0,0,0,0|1,0,0]=3 6959 B12R1.27 CNC(=O)NCc1ccncc1 2708a_100102657272_100000210450 [0,2,0,0,0,0|1,0,0]=3 6960 B12R1.27 CNC(=O)NCc1ccncc1 273464a_100000210450_100102657272 [0,2,0,0,0,0|1,0,0]=3 6961 B12R1.27 CNC(=O)NCc1ccncc1 273464a_100102657272_100000210450 [0,2,0,0,0,0|1,0,0]=3 6962 B12R1.27 CNC(=O)NCc1ccncc1 512a_106832991638_100000210450 [0,2,0,0,0,0|1,0,0]=3 6963 B12R1.27 CNC(=O)NCc1ccncn1 2708a_100102657272_100000736019 [0,2,0,0,0,0|2,0,0]=4 6964 B12R1.27 CNC(=O)NCc1ccncn1 273464a_100102657272_100000736019 [0,2,0,0,0,0|2,0,0]=4 6965 B12R1.27 CNC(=O)NCc1ccncn1 512a_100000736019_100102657272 [0,2,0,0,0,0|2,0,0]=4 6966 B12R1.27 CNC(=O)NCc1ccncn1 512a_106832991638_100000736019 [0,2,0,0,0,0|2,0,0]=4 6967 B12R1.27 CNC(=O)NCc1cnccn1 2708a_100000737960_106832991635 [0,2,0,0,0,0|2,0,0]=4 6968 B12R1.27 CNC(=O)NCc1cnccn1 2708a_100102657272_100000737960 [0,2,0,0,0,0|2,0,0]=4 6969 B12R1.27 CNC(=O)NCc1cnccn1 273464a_100000737960_100102657272 [0,2,0,0,0,0|2,0,0]=4 6970 B12R1.27 CNC(=O)NCc1cnccn1 273464a_100102657272_100000737960 [0,2,0,0,0,0|2,0,0]=4 6971 B12R1.27 CNC(=O)NCc1cnccn1 512a_100000737960_100102657272 [0,2,0,0,0,0|2,0,0]=4 6972 B12R1.27 CNC(=O)NCc1cnccn1 512a_106832991638_100000737960 [0,2,0,0,0,0|2,0,0]=4 6973 B12R1.27 CNC(=O)NCc1cncnc1 2708a_100011243677_106832991635 [0,2,0,0,0,0|2,0,0]=4 6974 B12R1.27 CNC(=O)NCc1cncnc1 2708a_100102657272_100011243677 [0,2,0,0,0,0|2,0,0]=4 6975 B12R1.27 CNC(=O)NCc1cncnc1 273464a_100011243677_100102657272 [0,2,0,0,0,0|2,0,0]=4 6976 B12R1.27 CNC(=O)NCc1cncnc1 273464a_100102657272_100011243677 [0,2,0,0,0,0|2,0,0]=4 6977 B12R1.27 CNC(=O)NCc1cncnc1 512a_100011243677_100102657272 [0,2,0,0,0,0|2,0,0]=4 6978 B12R1.27 CNC(=O)NCc1cncnc1 512a_106832991638_100011243677 [0,2,0,0,0,0|2,0,0]=4 6979 B12R1.27 CNC(=O)NCc1ncccn1 2708a_100015189908_106832991635 [0,2,0,0,0,0|2,0,0]=4 6980 B12R1.27 CNC(=O)NCc1ncccn1 2708a_100102657272_100015189908 [0,2,0,0,0,0|2,0,0]=4 6981 B12R1.27 CNC(=O)NCc1ncccn1 273464a_100015189908_100102657272 [0,2,0,0,0,0|2,0,0]=4 6982 B12R1.27 CNC(=O)NCc1ncccn1 273464a_100102657272_100015189908 [0,2,0,0,0,0|2,0,0]=4 6983 B12R1.27 CNC(=O)NCc1ncccn1 512a_100015189908_100102657272 [0,2,0,0,0,0|2,0,0]=4 6984 B12R1.27 CNC(=O)NCc1ncccn1 512a_106832991638_100015189908 [0,2,0,0,0,0|2,0,0]=4 6985 B12R1.27 CNC(=O)NNc1ccccc1 273464a_100102657272_100015195140 [0,2,0,0,0,0|1,0,0]=3 6986 B12R1.27 CNC(=O)NNc1ccccc1 512a_106832991638_100015195140 [0,2,0,0,0,0|1,0,0]=3 6987 B12R1.27 CNC(=O)NNc1ccccn1 273464a_100102657272_100000183288 [0,2,0,0,0,0|2,0,0]=4 6988 B12R1.27 CNC(=O)NNc1ccccn1 512a_106832991638_100000183288 [0,2,0,0,0,0|2,0,0]=4 6989 B12R1.27 CNC(=O)NNc1cccnc1 273464a_100102657272_100000728903 [0,2,0,0,0,0|2,0,0]=4 6990 B12R1.27 CNC(=O)NNc1cccnc1 512a_106832991638_100000728903 [0,2,0,0,0,0|2,0,0]=4 6991 B12R1.27 CNC(=O)NNc1ccncc1 273464a_100102657272_100000698918 [0,2,0,0,0,0|2,0,0]=4 6992 B12R1.27 CNC(=O)NNc1ccncc1 512a_106832991638_100000698918 [0,2,0,0,0,0|2,0,0]=4 6993 B12R1.27 COC(=O)CNc1ccccc1 34a_100000106764_100000747449 [0,2,0,0,0,0|2,0,0]=4 6994 B12R1.27 COC(=O)COc1ccccc1 34a_100000210340_100000747449 [0,2,0,0,0,0|2,0,0]=4 6995 B12R1.27 COC(=O)COc1ccccc1 7a_100000210340_100000747449 [0,2,0,0,0,0|2,0,0]=4 6996 B12R1.27 COC(=O)CSc1ccccc1 62a_100000719477_100000747449 [0,2,0,0,0,0|2,0,0]=4 6997 B12R1.27 COC(=O)CSc1ccccc1 62a_100000747449_100000041952 [0,2,0,0,0,0|2,0,0]=4 6998 B12R1.27 C[C@H](CF)NCc1ccccc1 207a_100102880703_100015611070 [0,2,0,0,0,0|1,0,1]=4 6999 B12R1.27 C[C@H](CF)NCc1ccccc1 270004a_100102880703_100015611070 [0,2,0,0,0,0|1,0,1]=4 7000 B12R1.27 C[C@H](CO)NCc1ccccc1 207a_100000737577_100015611070 [0,2,0,0,0,0|0,0,2]=4 7001 B12R1.27 C[C@H](CO)NCc1ccccc1 2230a_100000737577_100015291786 [0,2,0,0,0,0|0,0,2]=4 7002 B12R1.27 C[C@H](CO)NCc1ccccc1 270004a_100000737577_100015611070 [0,2,0,0,0,0|0,0,2]=4 7003 B12R1.27 O=C(C#Cc1ccccc1)CF 1458a_100000736102_100015361967 [0,2,0,0,0,0|1,0,1]=4 7004 B12R1.27 O=C(C=Cc1ccccc1)CF 1458a_100000210462_100015361967 [0,2,0,0,0,0|1,0,1]=4 7005 B12R1.27 O=C(CF)CCc1ccccc1 1458a_100000185753_100015361967 [0,2,0,0,0,0|1,0,0]=3 7006 B12R1.27 O=C(CF)CCc1ccccn1 1458a_100015195070_100015361967 [0,2,0,0,0,0|2,0,0]=4 7007 B12R1.27 O=C(CF)CCc1cccnc1 1458a_100000198484_100015361967 [0,2,0,0,0,0|2,0,0]=4 7008 B12R1.27 O=C(CF)CCc1ccncc1 1458a_100011225043_100015361967 [0,2,0,0,0,0|2,0,0]=4 7009 B12R1.27 O=C(CF)COc1ccccc1 1458a_100000186222_100015361967 [0,2,0,0,0,0|2,0,0]=4 7010 B12R1.27 O=C(CF)CSc1ccccc1 1458a_100000211596_100015361967 [0,2,0,0,0,0|2,0,0]=4 7011 B12R1.27 O=C(CO)CCc1ccccc1 1458a_100000210174_100000765856 [0,2,0,0,0,0|1,0,0]=3 7012 B12R1.27 O=C(CO)CCc1ccccn1 1458a_100000210174_100015183660 [0,2,0,0,0,0|2,0,0]=4 7013 B12R1.27 O=C(CO)CCc1cccnc1 1458a_100000210174_200011713674 [0,2,0,0,0,0|2,0,0]=4 7014 B12R1.27 O=C(CO)CCc1ccncc1 1458a_100000210174_100000723409 [0,2,0,0,0,0|2,0,0]=4 7015 B12R1.27 O=C(CO)NCc1ccccc1 240690a_100015324214_100000210174 [0,2,0,0,0,0|0,0,0]=2 7016 B12R1.27 O=C(CO)NCc1ccccc1 527a_100015324214_100000210174 [0,2,0,0,0,0|0,0,0]=2 7017 B12R1.27 O=C(CO)NCc1ccccn1 240690a_100000210449_100000210174 [0,2,0,0,0,0|1,0,0]=3 7018 B12R1.27 O=C(CO)NCc1ccccn1 527a_100000210449_100000210174 [0,2,0,0,0,0|1,0,0]=3 7019 B12R1.27 O=C(CO)NCc1cccnc1 240690a_100000210453_100000210174 [0,2,0,0,0,0|1,0,0]=3 7020 B12R1.27 O=C(CO)NCc1cccnc1 527a_100000210453_100000210174 [0,2,0,0,0,0|1,0,0]=3 7021 B12R1.27 O=C(CO)NCc1cccnn1 240690a_100159270163_100000210174 [0,2,0,0,0,0|2,0,0]=4 7022 B12R1.27 O=C(CO)NCc1cccnn1 527a_100159270163_100000210174 [0,2,0,0,0,0|2,0,0]=4 7023 B12R1.27 O=C(CO)NCc1ccncc1 240690a_100000210450_100000210174 [0,2,0,0,0,0|1,0,0]=3 7024 B12R1.27 O=C(CO)NCc1ccncc1 527a_100000210450_100000210174 [0,2,0,0,0,0|1,0,0]=3 7025 B12R1.27 O=C(CO)NCc1ccncn1 240690a_100000736019_100000210174 [0,2,0,0,0,0|2,0,0]=4 7026 B12R1.27 O=C(CO)NCc1ccncn1 527a_100000736019_100000210174 [0,2,0,0,0,0|2,0,0]=4 7027 B12R1.27 O=C(CO)NCc1cnccn1 240690a_100000737960_100000210174 [0,2,0,0,0,0|2,0,0]=4 7028 B12R1.27 O=C(CO)NCc1cnccn1 527a_100000737960_100000210174 [0,2,0,0,0,0|2,0,0]=4 7029 B12R1.27 O=C(CO)NCc1cncnc1 240690a_100011243677_100000210174 [0,2,0,0,0,0|2,0,0]=4 7030 B12R1.27 O=C(CO)NCc1cncnc1 527a_100011243677_100000210174 [0,2,0,0,0,0|2,0,0]=4 7031 B12R1.27 O=C(CO)NCc1ncccn1 240690a_100015189908_100000210174 [0,2,0,0,0,0|2,0,0]=4 7032 B12R1.27 O=C(CO)NCc1ncccn1 527a_100015189908_100000210174 [0,2,0,0,0,0|2,0,0]=4 7033 B12R1.27 O=C(CO)NNc1ccccc1 22a_100015195140_100000210174 [0,2,0,0,0,0|1,0,0]=3 7034 B12R1.27 O=C(CO)NNc1ccccn1 22a_100000183288_100000210174 [0,2,0,0,0,0|2,0,0]=4 7035 B12R1.27 O=C(CO)NNc1cccnc1 22a_100000728903_100000210174 [0,2,0,0,0,0|2,0,0]=4 7036 B12R1.27 O=C(CO)NNc1ccncc1 22a_100000698918_100000210174 [0,2,0,0,0,0|2,0,0]=4 7037 B12R1.32 C#CCN(C)Cc1ccccc1 2230a_100000186898_100000038162 [0,2,0,0,0,0|1,0,1]=4 7038 B12R1.32 C#CCN(C)Cc1ccccc1 2230a_100000225692_100015291786 [0,2,0,0,0,0|1,0,1]=4 7039 B12R1.32 C#CCN(C)Cc1ccccc1 2230a_100000730907_200000210301 [0,2,0,0,0,0|1,0,1]=4 7040 B12R1.32 C#CCN(C)Cc1ccccc1 269982a_100000730907_200000210301 [0,2,0,0,0,0|1,0,1]=4 7041 B12R1.32 C#CCN(C)Cc1ccccc1 270004a_100000225692_100015611070 [0,2,0,0,0,0|1,0,1]=4 7042 B12R1.32 C#CCN(C)Cc1ccccc1 34a_100000225692_100015291786 [0,2,0,0,0,0|1,0,1]=4 7043 B12R1.32 C#CCN(C)Cc1ccccc1 34a_100000730907_200000210301 [0,2,0,0,0,0|1,0,1]=4 7044 B12R1.32 C#CCN([13CH3])Cc1ccccc1 2230a_100000730907_200025704644 [0,2,0,0,0,0|1,0,1]=4 7045 B12R1.32 C#CCN([13CH3])Cc1ccccc1 269982a_100000730907_200025704644 [0,2,0,0,0,0|1,0,1]=4 7046 B12R1.32 C#CCN([13CH3])Cc1ccccc1 34a_100000730907_200025704644 [0,2,0,0,0,0|1,0,1]=4 7047 B12R1.32 C=CCC(=O)Cc1ccccc1 1458a_100000210193_100015291786 [0,2,0,0,0,0|2,0,0]=4 7048 B12R1.32 C=CCN(C)Cc1ccccc1 2230a_100000186898_100000210623 [0,2,0,0,0,0|1,0,0]=3 7049 B12R1.32 C=CCN(C)Cc1ccccc1 2230a_100000196212_200000210301 [0,2,0,0,0,0|1,0,0]=3 7050 B12R1.32 C=CCN(C)Cc1ccccc1 2230a_100000225617_100015291786 [0,2,0,0,0,0|1,0,0]=3 7051 B12R1.32 C=CCN(C)Cc1ccccc1 269982a_100000186898_100000210623 [0,2,0,0,0,0|1,0,0]=3 7052 B12R1.32 C=CCN(C)Cc1ccccc1 269982a_100000196212_200000210301 [0,2,0,0,0,0|1,0,0]=3 7053 B12R1.32 C=CCN(C)Cc1ccccc1 269982a_100000225617_100000211182 [0,2,0,0,0,0|1,0,0]=3 7054 B12R1.32 C=CCN(C)Cc1ccccc1 270004a_100000225617_100015611070 [0,2,0,0,0,0|1,0,0]=3 7055 B12R1.32 C=CCN(C)Cc1ccccn1 2230a_100000207498_100000210623 [0,2,0,0,0,0|2,0,0]=4 7056 B12R1.32 C=CCN(C)Cc1ccccn1 2230a_100000225617_100000721315 [0,2,0,0,0,0|2,0,0]=4 7057 B12R1.32 C=CCN(C)Cc1ccccn1 269982a_100000207498_100000210623 [0,2,0,0,0,0|2,0,0]=4 7058 B12R1.32 C=CCN(C)Cc1ccccn1 269982a_100000225617_100000721315 [0,2,0,0,0,0|2,0,0]=4 7059 B12R1.32 C=CCN(C)Cc1ccccn1 270004a_100000225617_100000209966 [0,2,0,0,0,0|2,0,0]=4 7060 B12R1.32 C=CCN(C)Cc1cccnc1 2230a_100000184577_100000210623 [0,2,0,0,0,0|2,0,0]=4 7061 B12R1.32 C=CCN(C)Cc1cccnc1 2230a_100000201331_200000210301 [0,2,0,0,0,0|2,0,0]=4 7062 B12R1.32 C=CCN(C)Cc1cccnc1 2230a_100000225617_100000741622 [0,2,0,0,0,0|2,0,0]=4 7063 B12R1.32 C=CCN(C)Cc1cccnc1 269982a_100000184577_100000210623 [0,2,0,0,0,0|2,0,0]=4 7064 B12R1.32 C=CCN(C)Cc1cccnc1 269982a_100000201331_200000210301 [0,2,0,0,0,0|2,0,0]=4 7065 B12R1.32 C=CCN(C)Cc1cccnc1 269982a_100000225617_100000733263 [0,2,0,0,0,0|2,0,0]=4 7066 B12R1.32 C=CCN(C)Cc1cccnc1 270004a_100000225617_100000209961 [0,2,0,0,0,0|2,0,0]=4 7067 B12R1.32 C=CCN(C)Cc1ccncc1 2230a_100000187231_100000210623 [0,2,0,0,0,0|2,0,0]=4 7068 B12R1.32 C=CCN(C)Cc1ccncc1 2230a_100000201359_200000210301 [0,2,0,0,0,0|2,0,0]=4 7069 B12R1.32 C=CCN(C)Cc1ccncc1 2230a_100000225617_100015193705 [0,2,0,0,0,0|2,0,0]=4 7070 B12R1.32 C=CCN(C)Cc1ccncc1 269982a_100000187231_100000210623 [0,2,0,0,0,0|2,0,0]=4 7071 B12R1.32 C=CCN(C)Cc1ccncc1 269982a_100000201359_200000210301 [0,2,0,0,0,0|2,0,0]=4 7072 B12R1.32 C=CCN(C)Cc1ccncc1 269982a_100000225617_100015193705 [0,2,0,0,0,0|2,0,0]=4 7073 B12R1.32 C=CCN([13CH3])Cc1ccccc1 2230a_100000196212_200025704644 [0,2,0,0,0,0|1,0,0]=3 7074 B12R1.32 C=CCN([13CH3])Cc1ccccc1 269982a_100000196212_200025704644 [0,2,0,0,0,0|1,0,0]=3 7075 B12R1.32 C=CCN([13CH3])Cc1cccnc1 2230a_100000201331_200025704644 [0,2,0,0,0,0|2,0,0]=4 7076 B12R1.32 C=CCN([13CH3])Cc1cccnc1 269982a_100000201331_200025704644 [0,2,0,0,0,0|2,0,0]=4 7077 B12R1.32 C=CCN([13CH3])Cc1ccncc1 2230a_100000201359_200025704644 [0,2,0,0,0,0|2,0,0]=4 7078 B12R1.32 C=CCN([13CH3])Cc1ccncc1 269982a_100000201359_200025704644 [0,2,0,0,0,0|2,0,0]=4 7079 B12R1.32 CC=CC(=O)Cc1ccccc1 1458a_100000210699_100015291786 [0,2,0,0,0,0|2,0,0]=4 7080 B12R1.32 CCCN(C)Cc1ccccc1 2230a_100000184400_200000210301 [0,2,0,0,0,0|1,0,1]=4 7081 B12R1.32 CCCN(C)Cc1ccccc1 2230a_100000186898_100000210303 [0,2,0,0,0,0|1,0,1]=4 7082 B12R1.32 CCCN(C)Cc1ccccc1 2230a_100000747261_100015291786 [0,2,0,0,0,0|1,0,1]=4 7083 B12R1.32 CCCN(C)Cc1ccccc1 269982a_100000184400_200000210301 [0,2,0,0,0,0|1,0,1]=4 7084 B12R1.32 CCCN(C)Cc1ccccc1 269982a_100000186898_100000210303 [0,2,0,0,0,0|1,0,1]=4 7085 B12R1.32 CCCN(C)Cc1ccccc1 269982a_100000747261_100000211182 [0,2,0,0,0,0|1,0,1]=4 7086 B12R1.32 CCCN(C)Cc1ccccc1 270004a_100000747261_100015611070 [0,2,0,0,0,0|1,0,1]=4 7087 B12R1.32 CCCN([13CH3])Cc1ccccc1 2230a_100000184400_200025704644 [0,2,0,0,0,0|1,0,1]=4 7088 B12R1.32 CCCN([13CH3])Cc1ccccc1 269982a_100000184400_200025704644 [0,2,0,0,0,0|1,0,1]=4 7089 B12R1.32 CN(CC#N)Cc1ccccc1 2230a_100000186898_100011215382 [0,2,0,0,0,0|1,0,1]=4 7090 B12R1.32 CN(CC#N)Cc1ccccc1 2230a_100000743013_200000210301 [0,2,0,0,0,0|1,0,1]=4 7091 B12R1.32 CN(CC#N)Cc1ccccc1 2230a_100000748184_100015291786 [0,2,0,0,0,0|1,0,1]=4 7092 B12R1.32 CN(CC#N)Cc1ccccc1 269982a_100000186898_100011214920 [0,2,0,0,0,0|1,0,1]=4 7093 B12R1.32 CN(CC=O)Cc1ccccc1 2230a_100000186898_200015260668 [0,2,0,0,0,0|0,0,0]=2 7094 B12R1.32 CN(CC=O)Cc1ccccc1 269982a_100000186898_200015260668 [0,2,0,0,0,0|0,0,0]=2 7095 B12R1.32 CN(CC=O)Cc1ccccn1 2230a_100000207498_200015260668 [0,2,0,0,0,0|1,0,0]=3 7096 B12R1.32 CN(CC=O)Cc1ccccn1 269982a_100000207498_200015260668 [0,2,0,0,0,0|1,0,0]=3 7097 B12R1.32 CN(CC=O)Cc1cccnc1 2230a_100000184577_200015260668 [0,2,0,0,0,0|1,0,0]=3 7098 B12R1.32 CN(CC=O)Cc1cccnc1 269982a_100000184577_200015260668 [0,2,0,0,0,0|1,0,0]=3 7099 B12R1.32 CN(CC=O)Cc1ccncc1 2230a_100000187231_200015260668 [0,2,0,0,0,0|1,0,0]=3 7100 B12R1.32 CN(CC=O)Cc1ccncc1 269982a_100000187231_200015260668 [0,2,0,0,0,0|1,0,0]=3 7101 B12R1.32 CN(CC=O)Cc1cnccn1 2230a_100011269079_200015260668 [0,2,0,0,0,0|2,0,0]=4 7102 B12R1.32 CN(CC=O)Cc1cnccn1 269982a_100011269079_200015260668 [0,2,0,0,0,0|2,0,0]=4 7103 B12R1.32 CN(CC=O)Cc1ncccn1 2230a_100025716638_200015260668 [0,2,0,0,0,0|2,0,0]=4 7104 B12R1.32 CN(CC=O)Cc1ncccn1 269982a_100025716638_200015260668 [0,2,0,0,0,0|2,0,0]=4 7105 B12R1.32 CN(CCF)Cc1ccccc1 2230a_100000186898_100011217306 [0,2,0,0,0,0|1,0,1]=4 7106 B12R1.32 CN(CCF)Cc1ccccc1 269982a_100000186898_100011217306 [0,2,0,0,0,0|1,0,1]=4 7107 B12R1.32 CN(CCO)Cc1ccccc1 2230a_100000180844_200000210301 [0,2,0,0,0,0|0,0,2]=4 7108 B12R1.32 CN(CCO)Cc1ccccc1 2230a_100000186898_100000211926 [0,2,0,0,0,0|0,0,2]=4 7109 B12R1.32 CN(CCO)Cc1ccccc1 2230a_100000210263_100015291786 [0,2,0,0,0,0|0,0,2]=4 7110 B12R1.32 CN(CCO)Cc1ccccc1 269982a_100000180844_200000210301 [0,2,0,0,0,0|0,0,2]=4 7111 B12R1.32 CN(CCO)Cc1ccccc1 269982a_100000186898_100000211926 [0,2,0,0,0,0|0,0,2]=4 7112 B12R1.32 CN(CCO)Cc1ccccc1 269982a_100000210263_100000211182 [0,2,0,0,0,0|0,0,2]=4 7113 B12R1.32 CN(CCO)Cc1ccccc1 270004a_100000210263_100015611070 [0,2,0,0,0,0|0,0,2]=4 7114 B12R1.32 COCN(C)Cc1ccccc1 2230a_100000186898_100000766300 [0,2,0,0,0,0|0,0,2]=4 7115 B12R1.32 COCN(C)Cc1ccccc1 269982a_100000186898_100000766300 [0,2,0,0,0,0|0,0,2]=4 7116 B12R1.32 CSCN(C)Cc1ccccc1 2230a_100000186898_100011218213 [0,2,0,0,0,0|0,1,1]=4 7117 B12R1.32 CSCN(C)Cc1ccccc1 269982a_100000186898_100011218213 [0,2,0,0,0,0|0,1,1]=4 7118 B12R1.32 O=C(C=CBr)Cc1ccccc1 1458a_100016273825_100015291786 [0,2,0,0,0,0|2,0,0]=4 7119 B12R1.32 O=C(C=CCl)Cc1ccccc1 1458a_200016279998_100015291786 [0,2,0,0,0,0|2,0,0]=4 7120 B12R1.32 O=C(C=CI)Cc1ccccc1 1458a_100016256311_100015291786 [0,2,0,0,0,0|2,0,0]=4 7121 B12R1.32 [13CH3]N(CC#N)Cc1ccccc1 2230a_100000743013_200025704644 [0,2,0,0,0,0|1,0,1]=4 7122 B12R1.32 [13CH3]N(CCO)Cc1ccccc1 2230a_100000180844_200025704644 [0,2,0,0,0,0|0,0,2]=4 7123 B12R1.32 [13CH3]N(CCO)Cc1ccccc1 269982a_100000180844_200025704644 [0,2,0,0,0,0|0,0,2]=4 7124 B12R1.252 C=C(C)CCNc1ccccc1 34a_100000106764_100000730704 [0,2,0,0,0,0|2,0,0]=4 7125 B12R1.252 C=C(C)CCOc1ccccc1 34a_100000210340_100000730704 [0,2,0,0,0,0|2,0,0]=4 7126 B12R1.252 C=C(C)CCOc1ccccc1 7a_100000210340_100000730704 [0,2,0,0,0,0|2,0,0]=4 7127 B12R1.252 C=C(C)CCSc1ccccc1 62a_100000719477_100000730704 [0,2,0,0,0,0|2,0,0]=4 7128 B12R1.252 C=C(C)CCSc1ccccc1 62a_100000730704_100000041952 [0,2,0,0,0,0|2,0,0]=4 7129 B12R1.252 C=C(C)CNCc1ccccc1 2230a_100015324214_100000748629 [0,2,0,0,0,0|1,0,0]=3 7130 B12R1.252 C=C(C)CNCc1ccccc1 34a_100015324214_100000748629 [0,2,0,0,0,0|1,0,0]=3 7131 B12R1.252 C=C(C)COCc1ccccc1 34a_100000210245_100015291786 [0,2,0,0,0,0|2,0,0]=4 7132 B12R1.252 C=C(C)COCc1ccccc1 34a_100000210790_100000748629 [0,2,0,0,0,0|2,0,0]=4 7133 B12R1.252 C=C(C)COCc1ccccc1 7a_100000210790_100000748629 [0,2,0,0,0,0|2,0,0]=4 7134 B12R1.252 C=C(C)CSCc1ccccc1 62a_100000211182_100000211660 [0,2,0,0,0,0|2,0,0]=4 7135 B12R1.252 C=C(C)CSCc1ccccc1 62a_100000748629_100015291786 [0,2,0,0,0,0|2,0,0]=4 7136 B12R1.252 C=C(F)CNCc1ccccc1 2230a_100015324214_100009893438 [0,2,0,0,0,0|1,0,0]=3 7137 B12R1.252 C=C(F)CNCc1ccccc1 34a_100015324214_100009893438 [0,2,0,0,0,0|1,0,0]=3 7138 B12R1.252 C=C(F)COCc1ccccc1 34a_100000210790_100009893438 [0,2,0,0,0,0|2,0,0]=4 7139 B12R1.252 C=C(F)COCc1ccccc1 34a_200010262243_100015291786 [0,2,0,0,0,0|2,0,0]=4 7140 B12R1.252 C=C(F)COCc1ccccc1 7a_100000210790_100000042424 [0,2,0,0,0,0|2,0,0]=4 7141 B12R1.252 C=C(F)CSCc1ccccc1 62a_100000042424_100015291786 [0,2,0,0,0,0|2,0,0]=4 7142 B12R1.252 C=C(F)CSCc1ccccc1 62a_100000211182_100000042424 [0,2,0,0,0,0|2,0,0]=4 7143 B12R1.252 CC(=CCNc1ccccc1)C 34a_100000106764_100000761012 [0,2,0,0,0,0|2,0,0]=4 7144 B12R1.252 CC(=CCOc1ccccc1)C 34a_100000210340_100000761012 [0,2,0,0,0,0|2,0,0]=4 7145 B12R1.252 CC(=CCOc1ccccc1)C 7a_100000210340_100000761012 [0,2,0,0,0,0|2,0,0]=4 7146 B12R1.252 CC(=CCSc1ccccc1)C 62a_100000719477_100000761012 [0,2,0,0,0,0|2,0,0]=4 7147 B12R1.252 CC(=CCSc1ccccc1)C 62a_100000761012_100000041952 [0,2,0,0,0,0|2,0,0]=4 7148 B12R1.252 CC(=O)C/C=C/c1ccccc1 1458a_100000070787_100016265936 [0,2,0,0,0,0|1,0,1]=4 7149 B12R1.252 CC(=O)C/C=C/c1ccccc1 1458a_100011219626_200000210301 [0,2,0,0,0,0|1,0,1]=4 7150 B12R1.252 CC(=O)C=CSc1ccccc1 1458a_100016262050_200000210301 [0,2,0,0,0,0|1,0,1]=4 7151 B12R1.252 CC(=O)CC#Cc1ccccc1 1458a_100000070787_100011352542 [0,2,0,0,0,0|1,0,1]=4 7152 B12R1.252 CC(=O)CCCc1ccccc1 1458a_100000070787_100000211621 [0,2,0,0,0,0|1,0,0]=3 7153 B12R1.252 CC(=O)CCCc1ccccc1 1458a_100011207963_200000210301 [0,2,0,0,0,0|1,0,0]=3 7154 B12R1.252 CC(=O)CCCc1ccccn1 1458a_100000752327_200000210301 [0,2,0,0,0,0|2,0,0]=4 7155 B12R1.252 CC(=O)CCCc1ccncc1 1458a_100020654287_200000210301 [0,2,0,0,0,0|2,0,0]=4 7156 B12R1.252 CC(=O)CCOc1ccccc1 1458a_100000070787_100000184471 [0,2,0,0,0,0|1,0,0]=3 7157 B12R1.252 CC(=O)CCOc1ccccc1 1458a_100000182761_200000210301 [0,2,0,0,0,0|1,0,0]=3 7158 B12R1.252 CC(=O)CCOc1ccccc1 7a_100000210340_100000053229 [0,2,0,0,0,0|1,0,0]=3 7159 B12R1.252 CC(=O)CCOc1cccnc1 7a_100000210849_100000053229 [0,2,0,0,0,0|2,0,0]=4 7160 B12R1.252 CC(=O)CCSc1ccccc1 1458a_100000070787_100000246102 [0,2,0,0,0,0|1,0,0]=3 7161 B12R1.252 CC(=O)CCSc1ccccc1 1458a_100000182436_200000210301 [0,2,0,0,0,0|1,0,0]=3 7162 B12R1.252 CC(=O)CCSc1ccccc1 62a_100000053229_100000041952 [0,2,0,0,0,0|1,0,0]=3 7163 B12R1.252 CC(=O)CCSc1ccccc1 62a_100000719477_100000053229 [0,2,0,0,0,0|1,0,0]=3 7164 B12R1.252 CC(=O)CCSc1ccccn1 62a_100000053229_100011216584 [0,2,0,0,0,0|2,0,0]=4 7165 B12R1.252 CC(=O)CCSc1ccccn1 62a_100011216584_100000053229 [0,2,0,0,0,0|2,0,0]=4 7166 B12R1.252 CC(=O)CCSc1cccnc1 62a_100000053229_100000210063 [0,2,0,0,0,0|2,0,0]=4 7167 B12R1.252 CC(=O)CCSc1cccnc1 62a_100000210063_100000053229 [0,2,0,0,0,0|2,0,0]=4 7168 B12R1.252 CC(=O)CCSc1ccncc1 62a_100000053229_100000728582 [0,2,0,0,0,0|2,0,0]=4 7169 B12R1.252 CC(=O)CCSc1ccncc1 62a_100000728582_100000053229 [0,2,0,0,0,0|2,0,0]=4 7170 B12R1.252 CC(=O)COCc1ccccc1 1458a_100000230186_200000210301 [0,2,0,0,0,0|1,0,0]=3 7171 B12R1.252 CC(=O)COCc1ccccc1 34a_100000211253_100015291786 [0,2,0,0,0,0|1,0,0]=3 7172 B12R1.252 CC(=O)COCc1ccccn1 34a_100000211253_100000721315 [0,2,0,0,0,0|2,0,0]=4 7173 B12R1.252 CC(=O)COCc1cccnc1 34a_100000211253_100000733263 [0,2,0,0,0,0|2,0,0]=4 7174 B12R1.252 CC(=O)CSCc1ccccc1 1458a_100000070787_200011217039 [0,2,0,0,0,0|1,0,0]=3 7175 B12R1.252 CC(=O)CSCc1ccccc1 1458a_100000150264_200000210301 [0,2,0,0,0,0|1,0,0]=3 7176 B12R1.252 CC(=O)CSCc1ccccn1 1458a_100000742634_200000210301 [0,2,0,0,0,0|2,0,0]=4 7177 B12R1.252 CC(=O)NCCc1ccccc1 11a_100000106460_100015343762 [0,2,0,0,0,0|0,0,0]=2 7178 B12R1.252 CC(=O)NCCc1ccccc1 1626a_100000106460_100015343762 [0,2,0,0,0,0|0,0,0]=2 7179 B12R1.252 CC(=O)NCCc1ccccc1 240690a_100000106460_100015343762 [0,2,0,0,0,0|0,0,0]=2 7180 B12R1.252 CC(=O)NCCc1ccccc1 527a_100000106460_100103153847 [0,2,0,0,0,0|0,0,0]=2 7181 B12R1.252 CC(=O)NCCc1ccccn1 11a_100000211156_100015343762 [0,2,0,0,0,0|1,0,0]=3 7182 B12R1.252 CC(=O)NCCc1ccccn1 1626a_100000211156_100015343762 [0,2,0,0,0,0|1,0,0]=3 7183 B12R1.252 CC(=O)NCCc1ccccn1 240690a_100000211156_100015343762 [0,2,0,0,0,0|1,0,0]=3 7184 B12R1.252 CC(=O)NCCc1ccccn1 527a_100000211156_100103153847 [0,2,0,0,0,0|1,0,0]=3 7185 B12R1.252 CC(=O)NCCc1cccnc1 11a_100000736294_100015343762 [0,2,0,0,0,0|1,0,0]=3 7186 B12R1.252 CC(=O)NCCc1cccnc1 1626a_100000736294_100015343762 [0,2,0,0,0,0|1,0,0]=3 7187 B12R1.252 CC(=O)NCCc1cccnc1 240690a_100000736294_100015343762 [0,2,0,0,0,0|1,0,0]=3 7188 B12R1.252 CC(=O)NCCc1cccnc1 527a_100000736294_100103153847 [0,2,0,0,0,0|1,0,0]=3 7189 B12R1.252 CC(=O)NCCc1ccncc1 11a_100000742849_100015343762 [0,2,0,0,0,0|1,0,0]=3 7190 B12R1.252 CC(=O)NCCc1ccncc1 1626a_100000742849_100015343762 [0,2,0,0,0,0|1,0,0]=3 7191 B12R1.252 CC(=O)NCCc1ccncc1 240690a_100000742849_100015343762 [0,2,0,0,0,0|1,0,0]=3 7192 B12R1.252 CC(=O)NCCc1ccncc1 527a_100000742849_100103153847 [0,2,0,0,0,0|1,0,0]=3 7193 B12R1.252 CC(=O)NCCc1cnccn1 11a_100000723456_100015343762 [0,2,0,0,0,0|2,0,0]=4 7194 B12R1.252 CC(=O)NCCc1cnccn1 1626a_100000723456_100015343762 [0,2,0,0,0,0|2,0,0]=4 7195 B12R1.252 CC(=O)NCCc1cnccn1 240690a_100000723456_100015343762 [0,2,0,0,0,0|2,0,0]=4 7196 B12R1.252 CC(=O)NCCc1cnccn1 527a_100000723456_100103153847 [0,2,0,0,0,0|2,0,0]=4 7197 B12R1.252 CC(=O)NN=Cc1ccccc1 4a_100000189765_100015611070 [0,2,0,0,0,0|0,0,1]=3 7198 B12R1.252 CC(=O)NN=Cc1ccccn1 4a_100000189765_100000209966 [0,2,0,0,0,0|1,0,1]=4 7199 B12R1.252 CC(=O)NN=Cc1cccnc1 4a_100000189765_100000209961 [0,2,0,0,0,0|1,0,1]=4 7200 B12R1.252 CC(=O)NN=Cc1ccncc1 4a_100000189765_100000186114 [0,2,0,0,0,0|1,0,1]=4 7201 B12R1.252 CC(=O)NNCc1ccccc1 22a_100000007032_100000070787 [0,2,0,0,0,0|0,0,0]=2 7202 B12R1.252 CC(=O)NNCc1ccccn1 22a_100000736832_100000070787 [0,2,0,0,0,0|1,0,0]=3 7203 B12R1.252 CC(=O)NNCc1cccnc1 22a_100000738295_100000070787 [0,2,0,0,0,0|1,0,0]=3 7204 B12R1.252 CC(=O)NNCc1ccncc1 22a_100000736929_100000070787 [0,2,0,0,0,0|1,0,0]=3 7205 B12R1.252 CC(=O)OCNc1ccccc1 34a_100000106764_100009813279 [0,2,0,0,0,0|1,0,0]=3 7206 B12R1.252 CC(=O)OCOc1ccccc1 34a_100000210340_100009813279 [0,2,0,0,0,0|1,0,0]=3 7207 B12R1.252 CC(=O)OCOc1cccnc1 34a_100000210849_100009813279 [0,2,0,0,0,0|2,0,0]=4 7208 B12R1.252 CC(=O)OCOc1ccncc1 34a_100000212176_100009813279 [0,2,0,0,0,0|2,0,0]=4 7209 B12R1.252 CC(=O)OCSc1ccccc1 62a_100000076356_100000041952 [0,2,0,0,0,0|1,0,0]=3 7210 B12R1.252 CC(=O)OCSc1ccccc1 62a_100000719477_100000076356 [0,2,0,0,0,0|1,0,0]=3 7211 B12R1.252 CC(=O)OCSc1ccccn1 62a_100000076356_100011216584 [0,2,0,0,0,0|2,0,0]=4 7212 B12R1.252 CC(=O)OCSc1ccccn1 62a_100011216584_100000076356 [0,2,0,0,0,0|2,0,0]=4 7213 B12R1.252 CC(=O)OCSc1cccnc1 62a_100000076356_100000210063 [0,2,0,0,0,0|2,0,0]=4 7214 B12R1.252 CC(=O)OCSc1cccnc1 62a_100000210063_100000076356 [0,2,0,0,0,0|2,0,0]=4 7215 B12R1.252 CC(=O)OCSc1ccncc1 62a_100000076356_100000728582 [0,2,0,0,0,0|2,0,0]=4 7216 B12R1.252 CC(=O)OCSc1ccncc1 62a_100000728582_100000076356 [0,2,0,0,0,0|2,0,0]=4 7217 B12R1.252 CC(C)CNCc1ccccc1 207a_100000210953_100015611070 [0,2,0,0,0,0|1,0,1]=4 7218 B12R1.252 CC(C)CNCc1ccccc1 2230a_100000210953_100015291786 [0,2,0,0,0,0|1,0,1]=4 7219 B12R1.252 CC(C)CNCc1ccccc1 2230a_100015324214_100000210760 [0,2,0,0,0,0|1,0,1]=4 7220 B12R1.252 CC(C)CNCc1ccccc1 270004a_100000210953_100015611070 [0,2,0,0,0,0|1,0,1]=4 7221 B12R1.252 CC(C)CNCc1ccccc1 270004a_100015324214_100000210432 [0,2,0,0,0,0|1,0,1]=4 7222 B12R1.252 CC(C)CNCc1ccccc1 34a_100000210953_100015291786 [0,2,0,0,0,0|1,0,1]=4 7223 B12R1.252 CC(C)CNCc1ccccc1 34a_100015324214_100000210624 [0,2,0,0,0,0|1,0,1]=4 7224 B12R1.252 CC(C)NCCc1ccccc1 2230a_100000106460_100000210206 [0,2,0,0,0,0|1,0,1]=4 7225 B12R1.252 CC(C)NCCc1ccccc1 2230a_100138425928_100000765856 [0,2,0,0,0,0|1,0,1]=4 7226 B12R1.252 CC(C)NCCc1ccccc1 34a_100000106460_100000210206 [0,2,0,0,0,0|1,0,1]=4 7227 B12R1.252 CC(C)NCCc1ccccc1 34a_100138425928_100000765856 [0,2,0,0,0,0|1,0,1]=4 7228 B12R1.252 CC(C)NCSc1ccccc1 2230a_100138425928_100011218342 [0,2,0,0,0,0|1,0,1]=4 7229 B12R1.252 CC(O)CNCc1ccccc1 207a_100000210904_100015611070 [0,2,0,0,0,0|0,0,2]=4 7230 B12R1.252 CC(O)CNCc1ccccc1 2230a_100000210904_100015291786 [0,2,0,0,0,0|0,0,2]=4 7231 B12R1.252 CC(O)CNCc1ccccc1 2230a_100015324214_100011218427 [0,2,0,0,0,0|0,0,2]=4 7232 B12R1.252 CC(O)CNCc1ccccc1 270004a_100000210904_100015611070 [0,2,0,0,0,0|0,0,2]=4 7233 B12R1.252 CC(O)CNCc1ccccc1 34a_100000210904_100015291786 [0,2,0,0,0,0|0,0,2]=4 7234 B12R1.252 CC(O)CNCc1ccccc1 34a_100015324214_100011218427 [0,2,0,0,0,0|0,0,2]=4 7235 B12R1.252 C[C@@H](O)CNCc1ccccc1 2230a_100015324214_100009817552 [0,2,0,0,0,0|0,0,2]=4 7236 B12R1.252 C[C@@H](O)CNCc1ccccc1 34a_100015324214_100009817552 [0,2,0,0,0,0|0,0,2]=4 7237 B12R1.252 FC(F)CNCc1ccccc1 207a_100000765723_100015611070 [0,2,0,0,0,0|1,0,1]=4 7238 B12R1.252 FC(F)CNCc1ccccc1 2230a_100015324214_100011934356 [0,2,0,0,0,0|1,0,1]=4 7239 B12R1.252 FC(F)CNCc1ccccc1 270004a_100000765723_100015611070 [0,2,0,0,0,0|1,0,1]=4 7240 B12R1.252 FC(F)CNCc1ccccc1 34a_100000765723_100015291786 [0,2,0,0,0,0|1,0,1]=4 7241 B12R1.252 FC(F)CNCc1ccccc1 34a_100015324214_100011934356 [0,2,0,0,0,0|1,0,1]=4 7242 B12R1.252 NC(=O)CCNc1ccccc1 34a_100000106764_100000731001 [0,2,0,0,0,0|1,0,0]=3 7243 B12R1.252 NC(=O)CCOc1ccccc1 34a_100000210340_100000731001 [0,2,0,0,0,0|1,0,0]=3 7244 B12R1.252 NC(=O)CCOc1ccccc1 7a_100000210340_100000744528 [0,2,0,0,0,0|1,0,0]=3 7245 B12R1.252 NC(=O)CCOc1cccnc1 34a_100000210849_100000731001 [0,2,0,0,0,0|2,0,0]=4 7246 B12R1.252 NC(=O)CCOc1cccnc1 7a_100000210849_100000744528 [0,2,0,0,0,0|2,0,0]=4 7247 B12R1.252 NC(=O)CCOc1ccncc1 34a_100000212176_100000731001 [0,2,0,0,0,0|2,0,0]=4 7248 B12R1.252 NC(=O)CCSc1ccccc1 62a_100000719477_100000744528 [0,2,0,0,0,0|1,0,0]=3 7249 B12R1.252 NC(=O)CCSc1ccccc1 62a_100000744528_100000041952 [0,2,0,0,0,0|1,0,0]=3 7250 B12R1.252 NC(=O)CCSc1ccccn1 62a_100000744528_100011216584 [0,2,0,0,0,0|2,0,0]=4 7251 B12R1.252 NC(=O)CCSc1ccccn1 62a_100011216584_100000744528 [0,2,0,0,0,0|2,0,0]=4 7252 B12R1.252 NC(=O)CCSc1cccnc1 62a_100000210063_100000744528 [0,2,0,0,0,0|2,0,0]=4 7253 B12R1.252 NC(=O)CCSc1cccnc1 62a_100000744528_100000210063 [0,2,0,0,0,0|2,0,0]=4 7254 B12R1.252 NC(=O)CCSc1ccncc1 62a_100000728582_100000744528 [0,2,0,0,0,0|2,0,0]=4 7255 B12R1.252 NC(=O)CCSc1ccncc1 62a_100000744528_100000728582 [0,2,0,0,0,0|2,0,0]=4 7256 B12R1.252 NC(=O)CNCc1ccccc1 2230a_100000711301_100015291786 [0,2,0,0,0,0|0,0,0]=2 7257 B12R1.252 NC(=O)CNCc1ccccc1 2230a_100015324214_100000747473 [0,2,0,0,0,0|0,0,0]=2 7258 B12R1.252 NC(=O)CNCc1ccccc1 34a_100015324214_100000187820 [0,2,0,0,0,0|0,0,0]=2 7259 B12R1.252 NC(=O)CNCc1ccccn1 2230a_100000711301_100000721315 [0,2,0,0,0,0|1,0,0]=3 7260 B12R1.252 NC(=O)CNCc1cccnc1 2230a_100000711301_100000741622 [0,2,0,0,0,0|1,0,0]=3 7261 B12R1.252 NC(=O)CNCc1cccnn1 2230a_100000711301_100016990269 [0,2,0,0,0,0|2,0,0]=4 7262 B12R1.252 NC(=O)CNCc1cccnn1 2230a_100159270163_100000747473 [0,2,0,0,0,0|2,0,0]=4 7263 B12R1.252 NC(=O)CNCc1ccncc1 2230a_100000711301_100015193705 [0,2,0,0,0,0|1,0,0]=3 7264 B12R1.252 NC(=O)CNCc1cnccn1 2230a_100000711301_100016995436 [0,2,0,0,0,0|2,0,0]=4 7265 B12R1.252 NC(=O)CNCc1cncnc1 2230a_100000711301_100015196519 [0,2,0,0,0,0|2,0,0]=4 7266 B12R1.252 NC(=O)CNCc1cncnc1 2230a_100011243677_100000747473 [0,2,0,0,0,0|2,0,0]=4 7267 B12R1.252 NC(=O)CNCc1ncccn1 2230a_100000711301_100000703007 [0,2,0,0,0,0|2,0,0]=4 7268 B12R1.252 NC(=O)COCc1ccccc1 34a_100000210790_100000187820 [0,2,0,0,0,0|1,0,0]=3 7269 B12R1.252 NC(=O)COCc1ccccc1 7a_100000210790_100000187820 [0,2,0,0,0,0|1,0,0]=3 7270 B12R1.252 NC(=O)CSCc1ccccc1 62a_100000211182_100000747473 [0,2,0,0,0,0|1,0,0]=3 7271 B12R1.252 NC(=O)CSCc1ccccc1 62a_100000747473_100015291786 [0,2,0,0,0,0|1,0,0]=3 7272 B12R1.252 NC(=O)CSCc1ccccn1 62a_100000721315_100000747473 [0,2,0,0,0,0|2,0,0]=4 7273 B12R1.252 NC(=O)CSCc1ccccn1 62a_100000747473_100000721315 [0,2,0,0,0,0|2,0,0]=4 7274 B12R1.252 NC(=O)CSCc1cccnc1 62a_100000741622_100000747473 [0,2,0,0,0,0|2,0,0]=4 7275 B12R1.252 NC(=O)CSCc1cccnc1 62a_100000747473_100000741622 [0,2,0,0,0,0|2,0,0]=4 7276 B12R1.252 NC(=O)CSCc1ccncc1 62a_100000747473_100015193705 [0,2,0,0,0,0|2,0,0]=4 7277 B12R1.252 NC(=O)CSCc1ccncc1 62a_100015193705_100000747473 [0,2,0,0,0,0|2,0,0]=4 7278 B12R1.252 O=C(O)CNCc1ccccc1 269956a_100016091260_100015291786 [0,2,0,0,0,0|0,0,0]=2 7279 B12R1.252 O=C(O)CNCc1ccccn1 269956a_100016091260_100000721315 [0,2,0,0,0,0|1,0,0]=3 7280 B12R1.252 O=C(O)CNCc1cccnc1 269956a_100016091260_100000733263 [0,2,0,0,0,0|1,0,0]=3 7281 B12R1.252 O=C(O)CNCc1cccnn1 269956a_100016091260_100016990269 [0,2,0,0,0,0|2,0,0]=4 7282 B12R1.252 O=C(O)CNCc1ccncc1 269956a_100016091260_100015193705 [0,2,0,0,0,0|1,0,0]=3 7283 B12R1.252 O=C(O)CNCc1cnccn1 269956a_100016091260_100016995436 [0,2,0,0,0,0|2,0,0]=4 7284 B12R1.252 O=C(O)CNCc1cncnc1 269956a_100016091260_100016991940 [0,2,0,0,0,0|2,0,0]=4 7285 B12R1.252 O=C(O)CNCc1ncccn1 269956a_100016091260_100000703007 [0,2,0,0,0,0|2,0,0]=4 7286 B12R1.252 O=C([O-])CNCc1ccccc1 34a_100015324214_100020667443 [0,2,0,0,0,0|0,0,0]=2 7287 B12R1.252 O=C([O-])COCc1ccccc1 34a_100000210790_100020667443 [0,2,0,0,0,0|1,0,0]=3 7288 B12R1.252 O=C([O-])CSCc1ccccc1 62a_100000211182_100020667443 [0,2,0,0,0,0|1,0,0]=3 7289 B12R1.252 O=C([O-])CSCc1ccccc1 62a_100020667443_100015291786 [0,2,0,0,0,0|1,0,0]=3 7290 B12R1.252 O=C([O-])CSCc1ccccn1 62a_100000721315_100020667443 [0,2,0,0,0,0|2,0,0]=4 7291 B12R1.252 O=C([O-])CSCc1ccccn1 62a_100020667443_100000721315 [0,2,0,0,0,0|2,0,0]=4 7292 B12R1.252 O=C([O-])CSCc1cccnc1 62a_100000741622_100020667443 [0,2,0,0,0,0|2,0,0]=4 7293 B12R1.252 O=C([O-])CSCc1cccnc1 62a_100020667443_100000741622 [0,2,0,0,0,0|2,0,0]=4 7294 B12R1.252 O=C([O-])CSCc1ccncc1 62a_100015193705_100020667443 [0,2,0,0,0,0|2,0,0]=4 7295 B12R1.252 O=C([O-])CSCc1ccncc1 62a_100020667443_100015193705 [0,2,0,0,0,0|2,0,0]=4 7296 B12R1.252 O=[N+]([O-])CNCc1ccccc1 34a_100015324214_100000761209 [0,2,0,0,0,0|0,0,1]=3 7297 B12R1.252 O=[N+]([O-])COCc1ccccc1 34a_100000210790_100000761209 [0,2,0,0,0,0|1,0,1]=4 7298 B12R1.252 O=[N+]([O-])CSCc1ccccc1 62a_100000211182_100000761209 [0,2,0,0,0,0|1,0,1]=4 7299 B12R1.252 [13CH3]C(=O)C/C=C/c1ccccc1 1458a_100011219626_200025704644 [0,2,0,0,0,0|1,0,1]=4 7300 B12R1.252 [13CH3]C(=O)C=CSc1ccccc1 1458a_100016262050_200025704644 [0,2,0,0,0,0|1,0,1]=4 7301 B12R1.252 [13CH3]C(=O)CCCc1ccccc1 1458a_100011207963_200025704644 [0,2,0,0,0,0|1,0,0]=3 7302 B12R1.252 [13CH3]C(=O)CCCc1ccccn1 1458a_100000752327_200025704644 [0,2,0,0,0,0|2,0,0]=4 7303 B12R1.252 [13CH3]C(=O)CCCc1ccncc1 1458a_100020654287_200025704644 [0,2,0,0,0,0|2,0,0]=4 7304 B12R1.252 [13CH3]C(=O)CCOc1ccccc1 1458a_100000182761_200025704644 [0,2,0,0,0,0|1,0,0]=3 7305 B12R1.252 [13CH3]C(=O)CCSc1ccccc1 1458a_100000182436_200025704644 [0,2,0,0,0,0|1,0,0]=3 7306 B12R1.252 [13CH3]C(=O)COCc1ccccc1 1458a_100000230186_200025704644 [0,2,0,0,0,0|1,0,0]=3 7307 B12R1.252 [13CH3]C(=O)CSCc1ccccc1 1458a_100000150264_200025704644 [0,2,0,0,0,0|1,0,0]=3 7308 B12R1.252 [13CH3]C(=O)CSCc1ccccn1 1458a_100000742634_200025704644 [0,2,0,0,0,0|2,0,0]=4 7309 B12R1.43 C/C(=C\c1ccccc1)/C(=O)[13CH3] 1458a_100016990649_200025704644 [0,2,0,0,0,0|1,0,1]=4 7310 B12R1.43 C=C(C)C(=O)Cc1ccccc1 1458a_100000185857_100015291786 [0,2,0,0,0,0|2,0,0]=4 7311 B12R1.43 CC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_200000210301 [0,2,0,0,0,0|1,0,1]=4 7312 B12R1.43 CC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_200000210301 [0,2,0,0,0,0|1,0,1]=4 7313 B12R1.43 CC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_200000210301 [0,2,0,0,0,0|1,0,1]=4 7314 B12R1.43 CC(=O)C(=O)Nc1ccccc1 1458a_100000738435_200000210301 [0,2,0,0,0,0|2,0,0]=4 7315 B12R1.43 CC(=O)C(C)Cc1ccccc1 1458a_100000070787_200011218536 [0,2,0,0,0,0|1,0,0]=3 7316 B12R1.43 CC(=O)C(C)Cc1ccccc1 1458a_100000754839_200000210301 [0,2,0,0,0,0|1,0,0]=3 7317 B12R1.43 CC(=O)C(C)Cc1ccccn1 1458a_100012000792_200000210301 [0,2,0,0,0,0|2,0,0]=4 7318 B12R1.43 CC(=O)C(C)Oc1ccccc1 1458a_100000188414_200000210301 [0,2,0,0,0,0|2,0,0]=4 7319 B12R1.43 CC(=O)C(C)Oc1ccccc1 7a_100000210340_100000179758 [0,2,0,0,0,0|2,0,0]=4 7320 B12R1.43 CC(=O)C(C)Sc1ccccc1 1458a_100000199063_200000210301 [0,2,0,0,0,0|2,0,0]=4 7321 B12R1.43 CC(=O)C(C)Sc1ccccc1 62a_100000719477_100009814033 [0,2,0,0,0,0|2,0,0]=4 7322 B12R1.43 CC(=O)C(C)Sc1ccccc1 62a_100009814033_100000041952 [0,2,0,0,0,0|2,0,0]=4 7323 B12R1.43 CC(=O)N(C)Cc1ccccc1 11a_100000186898_100015343762 [0,2,0,0,0,0|0,0,0]=2 7324 B12R1.43 CC(=O)N(C)Cc1ccccc1 1626a_100000186898_100015343762 [0,2,0,0,0,0|0,0,0]=2 7325 B12R1.43 CC(=O)N(C)Cc1ccccc1 240690a_100000186898_100015343762 [0,2,0,0,0,0|0,0,0]=2 7326 B12R1.43 CC(=O)N(C)Cc1ccccc1 527a_100000186898_100103153847 [0,2,0,0,0,0|0,0,0]=2 7327 B12R1.43 CC(=O)N(C)Cc1ccccn1 11a_100000207498_100015343762 [0,2,0,0,0,0|1,0,0]=3 7328 B12R1.43 CC(=O)N(C)Cc1ccccn1 240690a_100000207498_100015343762 [0,2,0,0,0,0|1,0,0]=3 7329 B12R1.43 CC(=O)N(C)Cc1ccccn1 527a_100000207498_100103153847 [0,2,0,0,0,0|1,0,0]=3 7330 B12R1.43 CC(=O)N(C)Cc1cccnc1 11a_100000184577_100015343762 [0,2,0,0,0,0|1,0,0]=3 7331 B12R1.43 CC(=O)N(C)Cc1cccnc1 240690a_100000184577_100015343762 [0,2,0,0,0,0|1,0,0]=3 7332 B12R1.43 CC(=O)N(C)Cc1cccnc1 527a_100000184577_100103153847 [0,2,0,0,0,0|1,0,0]=3 7333 B12R1.43 CC(=O)N(C)Cc1ccncc1 11a_100000187231_100015343762 [0,2,0,0,0,0|1,0,0]=3 7334 B12R1.43 CC(=O)N(C)Cc1ccncc1 240690a_100000187231_100015343762 [0,2,0,0,0,0|1,0,0]=3 7335 B12R1.43 CC(=O)N(C)Cc1ccncc1 527a_100000187231_100103153847 [0,2,0,0,0,0|1,0,0]=3 7336 B12R1.43 CC(=O)N(C)Cc1cnccn1 11a_100011269079_100015343762 [0,2,0,0,0,0|2,0,0]=4 7337 B12R1.43 CC(=O)N(C)Cc1cnccn1 240690a_100011269079_100015343762 [0,2,0,0,0,0|2,0,0]=4 7338 B12R1.43 CC(=O)N(C)Cc1cnccn1 527a_100011269079_100103153847 [0,2,0,0,0,0|2,0,0]=4 7339 B12R1.43 CC(=O)N(C)Cc1ncccn1 11a_100025716638_100015343762 [0,2,0,0,0,0|2,0,0]=4 7340 B12R1.43 CC(=O)N(C)Cc1ncccn1 240690a_100025716638_100015343762 [0,2,0,0,0,0|2,0,0]=4 7341 B12R1.43 CC(=O)N(C)Cc1ncccn1 527a_100025716638_100103153847 [0,2,0,0,0,0|2,0,0]=4 7342 B12R1.43 CC(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_200000210301 [0,2,0,0,0,0|1,0,0]=3 7343 B12R1.43 CC(C)N(C)Cc1ccccc1 2230a_100000068392_200000210301 [0,2,0,0,0,0|1,0,1]=4 7344 B12R1.43 CC(C)N(C)Cc1ccccc1 2230a_100000186898_100000210206 [0,2,0,0,0,0|1,0,1]=4 7345 B12R1.43 CC(C)N(C)Cc1ccccc1 269982a_100000068392_200000210301 [0,2,0,0,0,0|1,0,1]=4 7346 B12R1.43 CC(C)N(C)Cc1ccccc1 269982a_100000186898_100000210206 [0,2,0,0,0,0|1,0,1]=4 7347 B12R1.43 CC(C)N(C)Cc1ccccc1 269982a_200000211004_100000211182 [0,2,0,0,0,0|1,0,1]=4 7348 B12R1.43 CC(C)N(C)Cc1ccccc1 270004a_200000211004_100015611070 [0,2,0,0,0,0|1,0,1]=4 7349 B12R1.43 CC(C)N([13CH3])Cc1ccccc1 2230a_100000068392_200025704644 [0,2,0,0,0,0|1,0,1]=4 7350 B12R1.43 CC(C)N([13CH3])Cc1ccccc1 269982a_100000068392_200025704644 [0,2,0,0,0,0|1,0,1]=4 7351 B12R1.43 CC(Cc1ccccc1)C(=O)[13CH3] 1458a_100000754839_200025704644 [0,2,0,0,0,0|1,0,0]=3 7352 B12R1.43 CC(Cc1ccccn1)C(=O)[13CH3] 1458a_100012000792_200025704644 [0,2,0,0,0,0|2,0,0]=4 7353 B12R1.43 CC(Nc1ccccc1)C(=O)N 34a_100000106764_100000702099 [0,2,0,0,0,0|2,0,0]=4 7354 B12R1.43 CC(Oc1ccccc1)C(=O)N 34a_100000210340_100000702099 [0,2,0,0,0,0|2,0,0]=4 7355 B12R1.43 CC(Oc1ccccc1)C(=O)N 7a_100000210340_100000702099 [0,2,0,0,0,0|2,0,0]=4 7356 B12R1.43 CC(Oc1ccccc1)C(=O)[13CH3] 1458a_100000188414_200025704644 [0,2,0,0,0,0|2,0,0]=4 7357 B12R1.43 CC(Sc1ccccc1)C(=O)N 62a_100000702099_100000041952 [0,2,0,0,0,0|2,0,0]=4 7358 B12R1.43 CC(Sc1ccccc1)C(=O)N 62a_100000719477_100000702099 [0,2,0,0,0,0|2,0,0]=4 7359 B12R1.43 CC(Sc1ccccc1)C(=O)[13CH3] 1458a_100000199063_200025704644 [0,2,0,0,0,0|2,0,0]=4 7360 B12R1.43 NC(=O)C(=O)Nc1ccccc1 22a_100000106764_100011215815 [0,2,0,0,0,0|2,0,0]=4 7361 B12R1.43 NC(=O)C(F)Nc1ccccc1 34a_100000106764_100009813875 [0,2,0,0,0,0|2,0,0]=4 7362 B12R1.43 NC(=O)C(F)Oc1ccccc1 34a_100000210340_100009813875 [0,2,0,0,0,0|2,0,0]=4 7363 B12R1.43 NC(=O)C(F)Oc1ccccc1 7a_100000210340_100009813875 [0,2,0,0,0,0|2,0,0]=4 7364 B12R1.43 NC(=O)C(F)Sc1ccccc1 62a_100000719477_100009813875 [0,2,0,0,0,0|2,0,0]=4 7365 B12R1.43 NC(=O)C(F)Sc1ccccc1 62a_100009813875_100000041952 [0,2,0,0,0,0|2,0,0]=4 7366 B12R1.43 O=C([O-])C(F)Nc1ccccc1 34a_100000106764_100020610796 [0,2,0,0,0,0|2,0,0]=4 7367 B12R1.43 O=C([O-])C(F)Oc1ccccc1 34a_100000210340_100020610796 [0,2,0,0,0,0|2,0,0]=4 7368 B12R1.43 O=C([O-])C(F)Sc1ccccc1 62a_100000719477_100020610796 [0,2,0,0,0,0|2,0,0]=4 7369 B12R1.43 O=C([O-])C(F)Sc1ccccc1 62a_100020610796_100000041952 [0,2,0,0,0,0|2,0,0]=4 7370 B12R1.43 [13CH3]C(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_200025704644 [0,2,0,0,0,0|1,0,1]=4 7371 B12R1.43 [13CH3]C(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_200025704644 [0,2,0,0,0,0|1,0,1]=4 7372 B12R1.43 [13CH3]C(=O)C(=O)Nc1ccccc1 1458a_100000738435_200025704644 [0,2,0,0,0,0|2,0,0]=4 7373 B12R1.43 [13CH3]C(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_200025704644 [0,2,0,0,0,0|1,0,0]=3 7374 B12R1.118 CCN(CC)Cc1ccccc1 2230a_100000186914_100000210202 [0,2,0,0,0,0|1,0,1]=4 7375 B12R1.118 CCN(CC)Cc1ccccc1 2230a_100000724800_100015291786 [0,2,0,0,0,0|1,0,1]=4 7376 B12R1.118 CCN(CC)Cc1ccccc1 269956a_100000042499_100015291786 [0,2,0,0,0,0|1,0,1]=4 7377 B12R1.118 CCN(CC)Cc1ccccc1 269982a_100000186914_100000204670 [0,2,0,0,0,0|1,0,1]=4 7378 B12R1.118 CCN(CC)Cc1ccccc1 269982a_100000724800_100000211182 [0,2,0,0,0,0|1,0,1]=4 7379 B12R1.118 CCN(CC)Cc1ccccc1 270004a_100000724800_100015611070 [0,2,0,0,0,0|1,0,1]=4 7380 B12R1.118 CCN(CF)Cc1ccccc1 269982a_100000186914_100015361967 [0,2,0,0,0,0|1,0,1]=4 7381 B12R1.118 O=CC(C=O)Nc1ccccc1 34a_100000106764_100000736813 [0,2,0,0,0,0|2,0,0]=4 7382 B12R1.118 O=CC(C=O)Oc1ccccc1 34a_100000210340_100000736813 [0,2,0,0,0,0|2,0,0]=4 7383 B12R1.118 O=CC(C=O)Sc1ccccc1 62a_100000719477_100000736813 [0,2,0,0,0,0|2,0,0]=4 7384 B12R1.118 O=CC(C=O)Sc1ccccc1 62a_100000736813_100000041952 [0,2,0,0,0,0|2,0,0]=4 7385 B12R1.891 CC(C)(C)NCc1ccccc1 207a_100000715429_100015611070 [0,2,0,0,0,0|1,0,1]=4 7386 B12R1.891 CC(C)(C)NCc1ccccc1 2230a_100000715429_100015291786 [0,2,0,0,0,0|1,0,1]=4 7387 B12R1.891 CC(C)(C)NCc1ccccc1 34a_100015324214_100000210625 [0,2,0,0,0,0|1,0,1]=4 7388 B12R1.891 CS(=O)(=O)NCc1ccccc1 40a_100015324214_100000738038 [0,2,0,0,0,0|1,0,0]=3 7389 B12R1.891 CS(=O)(=O)NCc1ccccn1 40a_100000210449_100000738038 [0,2,0,0,0,0|2,0,0]=4 7390 B12R1.891 CS(=O)(=O)NCc1cccnc1 40a_100000210453_100000738038 [0,2,0,0,0,0|2,0,0]=4 7391 B12R1.891 CS(=O)(=O)NCc1ccncc1 40a_100000210450_100000738038 [0,2,0,0,0,0|2,0,0]=4 7392 B12R1.891 CS(=O)(=O)NNc1ccccc1 40a_100015195140_100000738038 [0,2,0,0,0,0|2,0,0]=4 7393 B12R1.891 FC(F)(F)NCc1ccccc1 34a_100015324214_200103152311 [0,2,0,0,0,0|1,0,1]=4 7394 B10R1.30 C=Cc1cc(c[nH]c1=O)F 271570a_100011290941_100009817720 [0,0,1,1,0,0|1,0,1]=4 7395 B10R1.30 C=Cc1cc(n[nH]c1=O)C 271570a_100011290941_100009819039 [0,0,1,1,0,0|1,0,1]=4 7396 B10R1.172 C=Cc1cccc(c1)C=O 271570a_100011290941_100000014684 [0,0,1,1,0,0|1,0,1]=4 7397 B10R1.172 C=Cc1cccc(n1)C=O 271570a_100011290941_100000688028 [0,0,1,1,0,0|2,0,0]=4 7398 B10R1.176 C=Cc1c[nH]c(=O)c(c1)Br 271570a_100011290941_100010125443 [0,0,1,1,0,0|1,0,1]=4 7399 B10R1.176 C=Cc1c[nH]c(=O)c(c1)F 271570a_100011290941_100000723523 [0,0,1,1,0,0|1,0,1]=4 7400 B10R1.176 C=Cc1c[nH]c(=O)c(c1)O 271570a_100011290941_100009814561 [0,0,1,1,0,0|1,0,1]=4 7401 B10R1.176 C=Cc1cc(c(=O)[nH]n1)C 271570a_100011290941_100012187101 [0,0,1,1,0,0|1,0,1]=4 7402 B10R1.176 C=Cc1cc(c(=O)[nH]n1)N 271570a_100011290941_100000102183 [0,0,1,1,0,0|2,0,0]=4 7403 B10R2.6 c1ccc(cc1)C2CC2 271570a_100011220607_100000210277 [1,0,0,1,0,0|1,0,1]=4 7404 B12R2.24 CN1CCc2ccccc2C1 2230a_100000188457_200000210301 [0,1,0,1,0,0|1,0,1]=4 7405 B12R2.24 CN1CCc2ccccc2C1 269982a_100000188457_200000210301 [0,1,0,1,0,0|1,0,1]=4 7406 B12R2.24 CN1CCc2ccccc2C1 34a_100000188457_200000210301 [0,1,0,1,0,0|1,0,1]=4 7407 B12R2.24 Oc1ccc2c(c1)CCNC2 271570a_203496583355_100000686056 [0,1,0,1,0,0|1,0,1]=4 7408 B12R2.24 Oc1ccc2c(c1)CNCC2 271570a_203496583355_100015189961 [0,1,0,1,0,0|1,0,1]=4 7409 B12R2.24 [13CH3]N1CCc2ccccc2C1 2230a_100000188457_200025704644 [0,1,0,1,0,0|1,0,1]=4 7410 B12R2.24 [13CH3]N1CCc2ccccc2C1 269982a_100000188457_200025704644 [0,1,0,1,0,0|1,0,1]=4 7411 B12R2.24 [13CH3]N1CCc2ccccc2C1 34a_100000188457_200025704644 [0,1,0,1,0,0|1,0,1]=4 7412 B12R2.132 O=C1CCc2c1cc(cc2)O 271570a_203496583355_100000759401 [0,1,0,1,0,0|1,0,0]=3 7413 B12R2.132 O=C1CCc2c1cc(cn2)O 271570a_203496583355_100010174022 [0,1,0,1,0,0|2,0,0]=4 7414 B12R2.132 O=C1CCc2c1nc(cc2)O 271570a_203496583355_100000701527 [0,1,0,1,0,0|2,0,0]=4 7415 B12R2.132 O=C1COc2c1cc(cc2)O 271570a_203496583355_100000752586 [0,1,0,1,0,0|2,0,0]=4 7416 B12R2.132 O=C1NCc2c1cc(cc2)O 271570a_203496583355_100010171230 [0,1,0,1,0,0|0,0,0]=2 7417 B12R2.132 O=C1OCc2c1cc(cc2)O 271570a_203496583355_100000693025 [0,1,0,1,0,0|1,0,0]=3 7418 B12R2.132 O=c1[nH][nH]c2c1cc(cc2)O 271570a_203496583355_100012353726 [0,1,0,1,0,0|1,0,0]=3 7419 B12R2.132 O=c1[nH]nc2n1cc(cc2)O 271570a_203496583355_100010235869 [0,1,0,1,0,0|2,0,0]=4 7420 B12R2.132 O=c1[nH]oc2c1cc(cc2)O 271570a_203496583355_100000732257 [0,1,0,1,0,0|1,0,0]=3 7421 B12R2.2 c1ccc(cc1)c2c[nH]cn2 271570a_100011218836_100000756875 [0,1,0,1,0,0|1,0,1]=4 7422 B12R2.2 c1ccc(cc1)c2cc[nH]c2 271570a_100000102155_100000210277 [0,1,0,1,0,0|1,0,1]=4 7423 B12R2.2 c1ccc(cc1)c2cc[nH]n2 271570a_100000062414_100000210277 [0,1,0,1,0,0|1,0,1]=4 7424 B12R2.2 c1ccc(cc1)c2cc[nH]n2 271570a_100011218836_100000062575 [0,1,0,1,0,0|1,0,1]=4 7425 B12R2.2 c1ccc(cc1)c2nc[nH]n2 271570a_100011218836_100000761765 [0,1,0,1,0,0|1,0,1]=4 7426 B12R2.2 c1ccc(cc1)c2ncc[nH]2 271570a_100011218836_100025796157 [0,1,0,1,0,0|1,0,1]=4 7427 B12R2.2 c1ccc(cc1)c2ncc[nH]2 271570a_100016988920_100000210277 [0,1,0,1,0,0|1,0,1]=4 7428 B12R2.1081 Oc1cccc2c1CCNC2 271570a_203496583355_100000756787 [0,1,0,1,0,0|1,0,1]=4 7429 B12R2.1081 Oc1cccc2c1CNCC2 271570a_203496583355_100000687140 [0,1,0,1,0,0|1,0,1]=4 7430 B12R2.32 CCN1Cc2ccccc2C1 2230a_100000752595_100000210202 [0,1,0,1,0,0|1,0,1]=4 7431 B12R2.32 CCN1Cc2ccccc2C1 269982a_100000752595_100000204670 [0,1,0,1,0,0|1,0,1]=4 7432 B12R2.32 CCN1Cc2ccccc2C1 34a_100000752595_100000210202 [0,1,0,1,0,0|1,0,1]=4 7433 B12R2.32 FCN1Cc2ccccc2C1 269982a_100000752595_100015361967 [0,1,0,1,0,0|1,0,1]=4 7434 B12R2.32 FCN1Cc2ccccc2C1 34a_100000752595_100015361967 [0,1,0,1,0,0|1,0,1]=4 7435 B12R2.196 O=C1CCc2c1cccc2O 271570a_203496583355_100000744605 [0,1,0,1,0,0|1,0,0]=3 7436 B12R2.196 O=C1COc2c1cccc2O 271570a_203496583355_100011230590 [0,1,0,1,0,0|2,0,0]=4 7437 B12R2.196 O=C1NCc2c1cccc2O 271570a_203496583355_100000688282 [0,1,0,1,0,0|0,0,0]=2 7438 B12R2.196 O=C1OCc2c1cccc2O 271570a_203496583355_100010167076 [0,1,0,1,0,0|1,0,0]=3 7439 B12R2.196 O=c1[nH][nH]c2c1cccc2O 271570a_203496583355_100012199144 [0,1,0,1,0,0|1,0,0]=3 7440 B12R2.203 O=C1CCc2c1c(ccc2)O 271570a_203496583355_100009816781 [0,1,0,1,0,0|1,0,0]=3 7441 B12R2.203 O=C1COc2c1c(ccc2)O 271570a_203496583355_100010205902 [0,1,0,1,0,0|2,0,0]=4 7442 B12R2.203 O=C1NCc2c1c(ccc2)O 271570a_203496583355_100000724024 [0,1,0,1,0,0|0,0,0]=2 7443 B12R2.203 O=C1OCc2c1c(ccc2)O 271570a_203496583355_100010132333 [0,1,0,1,0,0|1,0,0]=3 7444 B12R2.203 O=c1[nH][nH]c2c1c(ccc2)O 271570a_203496583355_100010170957 [0,1,0,1,0,0|1,0,0]=3 7445 B12R2.612 O=C1C=Cc2c1ccc(c2)O 271570a_203496583355_100010210589 [0,1,0,1,0,0|1,0,1]=4 7446 B12R2.612 O=C1CCc2c1ccc(c2)O 271570a_203496583355_100000737041 [0,1,0,1,0,0|1,0,0]=3 7447 B12R2.612 O=C1COc2c1ccc(c2)O 271570a_203496583355_100000686717 [0,1,0,1,0,0|2,0,0]=4 7448 B12R2.612 O=C1NCc2c1ccc(c2)O 271570a_203496583355_100000692135 [0,1,0,1,0,0|0,0,0]=2 7449 B12R2.612 O=C1NCc2c1ccc(n2)O 271570a_203496583355_200009864240 [0,1,0,1,0,0|1,0,0]=3 7450 B12R2.612 O=C1OCc2c1ccc(c2)O 271570a_203496583355_100009816608 [0,1,0,1,0,0|1,0,0]=3 7451 B12R2.612 O=c1[nH][nH]c2c1ccc(c2)O 271570a_203496583355_100012353722 [0,1,0,1,0,0|1,0,0]=3 7452 B12R2.612 O=c1[nH][nH]c2c1cnc(c2)O 271570a_203496583355_100016039622 [0,1,0,1,0,0|2,0,0]=4 7453 B12R2.23 CN1CCC1c2ccccc2 2230a_100000739605_200000210301 [0,1,0,1,0,0|1,0,1]=4 7454 B12R2.23 CN1CCC1c2ccccc2 269982a_100000739605_200000210301 [0,1,0,1,0,0|1,0,1]=4 7455 B12R2.23 [13CH3]N1CCC1c2ccccc2 2230a_100000739605_200025704644 [0,1,0,1,0,0|1,0,1]=4 7456 B12R2.23 [13CH3]N1CCC1c2ccccc2 269982a_100000739605_200025704644 [0,1,0,1,0,0|1,0,1]=4 7457 B12R2.2057 c1ccc(cc1)CNC2CC2 34a_100000212008_100015291786 [0,1,0,1,0,0|1,0,1]=4 7458 B12R2.2057 c1ccc(cc1)CNC2CC2 34a_100015324214_100000211595 [0,1,0,1,0,0|1,0,1]=4 7459 B12R2.2058 c1ccc(cc1)CN2CCC2 269982a_100000754969_100000211182 [0,1,0,1,0,0|1,0,1]=4 7460 B12R2.18 Cn1nc2ccccc2c1O 271570a_203496583355_100010163699 [0,1,0,1,0,0|1,0,1]=4 7461 B12R2.3190 CC(=O)C1Cc2c1cccc2 1458a_200000238571_200000210301 [0,1,0,1,0,0|1,0,0]=3 7462 B12R2.3190 [13CH3]C(=O)C1Cc2c1cccc2 1458a_200000238571_200025704644 [0,1,0,1,0,0|1,0,0]=3 7463 B8R1.8 CNCc1ccco1 207a_100102657272_100000186105 [1,0,0,0,1,0|1,0,1]=4 7464 B8R1.8 CNCc1ccco1 2230a_100000185738_200000210301 [1,0,0,0,1,0|1,0,1]=4 7465 B8R1.8 CNCc1ccco1 270004a_106832991635_100000186105 [1,0,0,0,1,0|1,0,1]=4 7466 B8R1.8 CNCc1ccco1 34a_100000185738_200000210301 [1,0,0,0,1,0|1,0,1]=4 7467 B8R1.8 CNCc1cccs1 207a_100102657272_100000209959 [1,0,0,0,1,0|1,0,1]=4 7468 B8R1.8 CNCc1cccs1 2230a_100000211653_200000210301 [1,0,0,0,1,0|1,0,1]=4 7469 B8R1.8 CNCc1cccs1 270004a_106832991635_100000209959 [1,0,0,0,1,0|1,0,1]=4 7470 B8R1.8 CNCc1ccoc1 207a_100102657272_100011215517 [1,0,0,0,1,0|1,0,1]=4 7471 B8R1.8 CNCc1ccoc1 2230a_100015206860_200000210301 [1,0,0,0,1,0|1,0,1]=4 7472 B8R1.8 CNCc1ccoc1 270004a_106832991635_100011215517 [1,0,0,0,1,0|1,0,1]=4 7473 B8R1.8 CNCc1ccoc1 34a_100015206860_200000210301 [1,0,0,0,1,0|1,0,1]=4 7474 B8R1.8 CNCc1ccsc1 207a_100102657272_100000188534 [1,0,0,0,1,0|1,0,1]=4 7475 B8R1.8 CNCc1ccsc1 2230a_100000186416_200000210301 [1,0,0,0,1,0|1,0,1]=4 7476 B8R1.8 CNCc1ccsc1 2230a_106832991635_100011261437 [1,0,0,0,1,0|1,0,1]=4 7477 B8R1.8 CNCc1ccsc1 270004a_106832991635_100000188534 [1,0,0,0,1,0|1,0,1]=4 7478 B8R1.8 CNCc1ccsc1 34a_100000186416_200000210301 [1,0,0,0,1,0|1,0,1]=4 7479 B8R1.8 CNCc1ccsc1 34a_100102657272_100011261437 [1,0,0,0,1,0|1,0,1]=4 7480 B8R1.8 CNCc1ccsc1 7a_106832991635_100011261437 [1,0,0,0,1,0|1,0,1]=4 7481 B8R1.8 [13CH3]NCc1ccco1 2230a_100000185738_200025704644 [1,0,0,0,1,0|1,0,1]=4 7482 B8R1.8 [13CH3]NCc1ccco1 34a_100000185738_200025704644 [1,0,0,0,1,0|1,0,1]=4 7483 B8R1.8 [13CH3]NCc1cccs1 2230a_100000211653_200025704644 [1,0,0,0,1,0|1,0,1]=4 7484 B8R1.8 [13CH3]NCc1ccoc1 2230a_100015206860_200025704644 [1,0,0,0,1,0|1,0,1]=4 7485 B8R1.8 [13CH3]NCc1ccoc1 34a_100015206860_200025704644 [1,0,0,0,1,0|1,0,1]=4 7486 B8R1.8 [13CH3]NCc1ccsc1 2230a_100000186416_200025704644 [1,0,0,0,1,0|1,0,1]=4 7487 B8R1.8 [13CH3]NCc1ccsc1 34a_100000186416_200025704644 [1,0,0,0,1,0|1,0,1]=4