0 B10R1.17 C#CCNc1ccccc1 34a_100000106764_100000184674 [0,0,0,0,0,0|1,0,2]=3 1 B10R1.17 C#CCOc1ccccc1 34a_100000210340_100000184674 [0,0,0,0,0,0|0,0,2]=2 2 B10R1.17 C#CCOc1ccccc1 7a_100000210340_100000038162 [0,0,0,0,0,0|0,0,2]=2 3 B10R1.17 C#CCOc1cccnc1 34a_100000210849_100000184674 [0,0,0,0,0,0|1,0,2]=3 4 B10R1.17 C#CCOc1cccnc1 7a_100000210849_100000038162 [0,0,0,0,0,0|1,0,2]=3 5 B10R1.17 C#CCOc1ccncc1 34a_100000212176_100000184674 [0,0,0,0,0,0|1,0,2]=3 6 B10R1.17 C#CCOc1ccnnc1 34a_100015204005_100000184674 [0,0,0,0,0,0|2,0,2]=4 7 B10R1.17 C#CCOc1cncnc1 7a_100000754086_100000038162 [0,0,0,0,0,0|2,0,2]=4 8 B10R1.17 C#CCSc1ccccc1 62a_100000038162_100000041952 [0,0,0,0,0,0|0,1,2]=3 9 B10R1.17 C#CCSc1ccccn1 62a_100000038162_100011216584 [0,0,0,0,0,0|1,1,2]=4 10 B10R1.17 C#CCSc1cccnc1 62a_100000038162_100000210063 [0,0,0,0,0,0|1,1,2]=4 11 B10R1.17 C#CCSc1ccncc1 62a_100000038162_100000728582 [0,0,0,0,0,0|1,1,2]=4 12 B10R1.17 C=CCNc1ccccc1 34a_100000106764_100015514636 [0,0,0,0,0,0|1,0,0]=1 13 B10R1.17 C=CCNc1cccnn1 27a_100020586998_100016991348 [0,0,0,0,0,0|3,0,0]=3 14 B10R1.17 C=CCNc1ccncn1 27a_100020586998_100000703185 [0,0,0,0,0,0|3,0,0]=3 15 B10R1.17 C=CCNc1cnccn1 27a_100020586998_100000211759 [0,0,0,0,0,0|3,0,0]=3 16 B10R1.17 C=CCNc1ncccn1 27a_100020586998_100000211032 [0,0,0,0,0,0|3,0,0]=3 17 B10R1.17 C=CCOC1C=CCCC1 34a_100011215024_100015514636 [0,0,0,0,0,0|0,0,4]=4 18 B10R1.17 C=CCOC1CC=CCC1 34a_100000073881_100015514636 [0,0,0,0,0,0|0,0,4]=4 19 B10R1.17 C=CCOc1ccccc1 34a_100000210340_100015514636 [0,0,0,0,0,0|0,0,0]=0 20 B10R1.17 C=CCOc1ccccc1 7a_100000210340_100015514636 [0,0,0,0,0,0|0,0,0]=0 21 B10R1.17 C=CCOc1cccnc1 34a_100000210849_100015514636 [0,0,0,0,0,0|1,0,0]=1 22 B10R1.17 C=CCOc1cccnc1 7a_100000210849_100015514636 [0,0,0,0,0,0|1,0,0]=1 23 B10R1.17 C=CCOc1ccncc1 34a_100000212176_100015514636 [0,0,0,0,0,0|1,0,0]=1 24 B10R1.17 C=CCOc1ccnnc1 34a_100015204005_100015514636 [0,0,0,0,0,0|2,0,0]=2 25 B10R1.17 C=CCOc1cncnc1 7a_100000754086_100015514636 [0,0,0,0,0,0|2,0,0]=2 26 B10R1.17 C=CCSc1ccccc1 62a_100000210623_100000041952 [0,0,0,0,0,0|0,1,0]=1 27 B10R1.17 C=CCSc1ccccc1 62a_100000719477_100000210623 [0,0,0,0,0,0|0,1,0]=1 28 B10R1.17 C=CCSc1ccccn1 62a_100000210623_100011216584 [0,0,0,0,0,0|1,1,0]=2 29 B10R1.17 C=CCSc1ccccn1 62a_100011216584_100000210623 [0,0,0,0,0,0|1,1,0]=2 30 B10R1.17 C=CCSc1cccnc1 62a_100000210063_100000210623 [0,0,0,0,0,0|1,1,0]=2 31 B10R1.17 C=CCSc1cccnc1 62a_100000210623_100000210063 [0,0,0,0,0,0|1,1,0]=2 32 B10R1.17 C=CCSc1cccnn1 62a_100000210623_100016991348 [0,0,0,0,0,0|2,1,0]=3 33 B10R1.17 C=CCSc1cccnn1 62a_100016991348_100000210623 [0,0,0,0,0,0|2,1,0]=3 34 B10R1.17 C=CCSc1ccncc1 62a_100000210623_100000728582 [0,0,0,0,0,0|1,1,0]=2 35 B10R1.17 C=CCSc1ccncc1 62a_100000728582_100000210623 [0,0,0,0,0,0|1,1,0]=2 36 B10R1.17 C=CCSc1ccncn1 62a_100000210623_100000703185 [0,0,0,0,0,0|2,1,0]=3 37 B10R1.17 C=CCSc1ccncn1 62a_100000703185_100000210623 [0,0,0,0,0,0|2,1,0]=3 38 B10R1.17 C=CCSc1ccnnc1 62a_100000210623_100000732662 [0,0,0,0,0,0|2,1,0]=3 39 B10R1.17 C=CCSc1ccnnc1 62a_100000732662_100000210623 [0,0,0,0,0,0|2,1,0]=3 40 B10R1.17 C=CCSc1cnccn1 62a_100000210623_100000211759 [0,0,0,0,0,0|2,1,0]=3 41 B10R1.17 C=CCSc1cnccn1 62a_100000211759_100000210623 [0,0,0,0,0,0|2,1,0]=3 42 B10R1.17 C=CCSc1cncnc1 62a_100000210623_100011206942 [0,0,0,0,0,0|2,1,0]=3 43 B10R1.17 C=CCSc1cncnc1 62a_100011206942_100000210623 [0,0,0,0,0,0|2,1,0]=3 44 B10R1.17 C=CCSc1cnnnc1 62a_100000210623_100009846058 [0,0,0,0,0,0|3,1,0]=4 45 B10R1.17 C=CCSc1cnnnc1 62a_100009846058_100000210623 [0,0,0,0,0,0|3,1,0]=4 46 B10R1.17 C=CCSc1ncccn1 62a_100000210623_100000211032 [0,0,0,0,0,0|2,1,0]=3 47 B10R1.17 C=CCSc1ncccn1 62a_100000211032_100000210623 [0,0,0,0,0,0|2,1,0]=3 48 B10R1.17 CC=NNc1ccccc1 4a_100015195140_200000210099 [0,0,0,0,0,0|2,0,1]=3 49 B10R1.17 CC=NNc1ccccn1 4a_100000183288_200000210099 [0,0,0,0,0,0|3,0,1]=4 50 B10R1.17 CC=NNc1cccnc1 4a_100000728903_200000210099 [0,0,0,0,0,0|3,0,1]=4 51 B10R1.17 CC=NNc1ccncc1 4a_100000698918_200000210099 [0,0,0,0,0,0|3,0,1]=4 52 B10R1.17 CCCCc1ccccc1 271570a_100020621405_100000210277 [0,0,0,0,0,0|1,0,2]=3 53 B10R1.17 CCCCc1ccccn1 271570a_100020621405_100011216584 [0,0,0,0,0,0|2,0,2]=4 54 B10R1.17 CCCCc1cccnc1 271570a_100020621405_100000752921 [0,0,0,0,0,0|2,0,2]=4 55 B10R1.17 CCCCc1ccncc1 271570a_100020621405_100000035832 [0,0,0,0,0,0|2,0,2]=4 56 B10R1.17 CCCNc1ccccc1 34a_100000106764_100000210303 [0,0,0,0,0,0|1,0,2]=3 57 B10R1.17 CCCOc1ccccc1 34a_100000210340_100000210303 [0,0,0,0,0,0|0,0,2]=2 58 B10R1.17 CCCOc1ccccc1 7a_100000210340_100000210303 [0,0,0,0,0,0|0,0,2]=2 59 B10R1.17 CCCOc1cccnc1 34a_100000210849_100000210303 [0,0,0,0,0,0|1,0,2]=3 60 B10R1.17 CCCOc1cccnc1 7a_100000210849_100000210303 [0,0,0,0,0,0|1,0,2]=3 61 B10R1.17 CCCOc1ccncc1 34a_100000212176_100000210303 [0,0,0,0,0,0|1,0,2]=3 62 B10R1.17 CCCOc1ccnnc1 34a_100015204005_100000210303 [0,0,0,0,0,0|2,0,2]=4 63 B10R1.17 CCCOc1cncnc1 7a_100000754086_100000210303 [0,0,0,0,0,0|2,0,2]=4 64 B10R1.17 CCCSc1ccccc1 62a_100000210303_100000041952 [0,0,0,0,0,0|0,1,2]=3 65 B10R1.17 CCCSc1ccccc1 62a_100000719477_100000210303 [0,0,0,0,0,0|0,1,2]=3 66 B10R1.17 CCCSc1ccccn1 62a_100000210303_100011216584 [0,0,0,0,0,0|1,1,2]=4 67 B10R1.17 CCCSc1ccccn1 62a_100011216584_100000210303 [0,0,0,0,0,0|1,1,2]=4 68 B10R1.17 CCCSc1cccnc1 62a_100000210063_100000210303 [0,0,0,0,0,0|1,1,2]=4 69 B10R1.17 CCCSc1cccnc1 62a_100000210303_100000210063 [0,0,0,0,0,0|1,1,2]=4 70 B10R1.17 CCCSc1ccncc1 62a_100000210303_100000728582 [0,0,0,0,0,0|1,1,2]=4 71 B10R1.17 CCCSc1ccncc1 62a_100000728582_100000210303 [0,0,0,0,0,0|1,1,2]=4 72 B10R1.17 CCNCc1ccccc1 207a_100015525214_100015611070 [0,0,0,0,0,0|2,0,2]=4 73 B10R1.17 CCNCc1ccccc1 2230a_100015324214_100000210202 [0,0,0,0,0,0|2,0,2]=4 74 B10R1.17 CCNCc1ccccc1 2230a_100015525214_100015291786 [0,0,0,0,0,0|2,0,2]=4 75 B10R1.17 CCNCc1ccccc1 270004a_100015525214_100015611070 [0,0,0,0,0,0|2,0,2]=4 76 B10R1.17 CCNCc1ccccc1 34a_100015324214_100000210202 [0,0,0,0,0,0|2,0,2]=4 77 B10R1.17 CCOCc1ccccc1 34a_100000210790_100000210202 [0,0,0,0,0,0|2,0,2]=4 78 B10R1.17 CCOCc1ccccc1 34a_100121572206_100015291786 [0,0,0,0,0,0|2,0,2]=4 79 B10R1.17 CCOCc1ccccc1 7a_100000210790_100000210202 [0,0,0,0,0,0|2,0,2]=4 80 B10R1.17 CCSCc1ccccc1 62a_100000210202_100015291786 [0,0,0,0,0,0|2,0,2]=4 81 B10R1.17 CCSCc1ccccc1 62a_100000211182_100000210202 [0,0,0,0,0,0|2,0,2]=4 82 B10R1.17 CNCCc1ccccc1 2230a_100000106460_200000210301 [0,0,0,0,0,0|2,0,1]=3 83 B10R1.17 CNCCc1ccccc1 2230a_106832991635_100000765856 [0,0,0,0,0,0|2,0,1]=3 84 B10R1.17 CNCCc1ccccc1 34a_100000106460_200000210301 [0,0,0,0,0,0|2,0,1]=3 85 B10R1.17 CNCCc1ccccc1 34a_100102657272_100000765856 [0,0,0,0,0,0|2,0,1]=3 86 B10R1.17 CNCCc1ccccc1 7a_106832991635_100000765856 [0,0,0,0,0,0|2,0,1]=3 87 B10R1.17 CNCCc1ccccn1 2230a_106832991635_100015183660 [0,0,0,0,0,0|3,0,1]=4 88 B10R1.17 CNCCc1ccccn1 7a_106832991635_100015183660 [0,0,0,0,0,0|3,0,1]=4 89 B10R1.17 CNCCc1cccnc1 2230a_100000736294_200000210301 [0,0,0,0,0,0|3,0,1]=4 90 B10R1.17 CNCCc1cccnc1 2230a_106832991635_200011713674 [0,0,0,0,0,0|3,0,1]=4 91 B10R1.17 CNCCc1cccnc1 7a_106832991635_200011713674 [0,0,0,0,0,0|3,0,1]=4 92 B10R1.17 CNCCc1ccncc1 2230a_106832991635_100000723409 [0,0,0,0,0,0|3,0,1]=4 93 B10R1.17 CNCCc1ccncc1 7a_106832991635_100000723409 [0,0,0,0,0,0|3,0,1]=4 94 B10R1.17 CNCSc1ccccc1 2230a_106832991635_100011218342 [0,0,0,0,0,0|1,1,1]=3 95 B10R1.17 COCCc1ccccc1 34a_100000210268_200000210301 [0,0,0,0,0,0|2,0,1]=3 96 B10R1.17 COCCc1ccccc1 34a_100138415774_100000765856 [0,0,0,0,0,0|2,0,1]=3 97 B10R1.17 COCCc1ccccc1 7a_100000210268_200000210301 [0,0,0,0,0,0|2,0,1]=3 98 B10R1.17 COCCc1ccccn1 34a_100000210271_200000210301 [0,0,0,0,0,0|3,0,1]=4 99 B10R1.17 COCCc1cccnc1 34a_100011217484_200000210301 [0,0,0,0,0,0|3,0,1]=4 100 B10R1.17 COCCc1ccncc1 34a_100011216225_200000210301 [0,0,0,0,0,0|3,0,1]=4 101 B10R1.17 COCSc1ccccc1 62a_100000719477_100000766300 [0,0,0,0,0,0|1,1,1]=3 102 B10R1.17 COCSc1ccccc1 62a_100000766300_100000041952 [0,0,0,0,0,0|1,1,1]=3 103 B10R1.17 COCSc1ccccn1 62a_100000766300_100011216584 [0,0,0,0,0,0|2,1,1]=4 104 B10R1.17 COCSc1ccccn1 62a_100011216584_100000766300 [0,0,0,0,0,0|2,1,1]=4 105 B10R1.17 COCSc1cccnc1 62a_100000210063_100000766300 [0,0,0,0,0,0|2,1,1]=4 106 B10R1.17 COCSc1cccnc1 62a_100000766300_100000210063 [0,0,0,0,0,0|2,1,1]=4 107 B10R1.17 COCSc1ccncc1 62a_100000728582_100000766300 [0,0,0,0,0,0|2,1,1]=4 108 B10R1.17 COCSc1ccncc1 62a_100000766300_100000728582 [0,0,0,0,0,0|2,1,1]=4 109 B10R1.17 CSCCc1ccccc1 62a_100000765856_200000210301 [0,0,0,0,0,0|2,0,1]=3 110 B10R1.17 CSCCc1ccccc1 62a_200000210301_100011218657 [0,0,0,0,0,0|2,0,1]=3 111 B10R1.17 CSCCc1ccccn1 62a_100015183660_200000210301 [0,0,0,0,0,0|3,0,1]=4 112 B10R1.17 CSCCc1ccccn1 62a_200000210301_100015183660 [0,0,0,0,0,0|3,0,1]=4 113 B10R1.17 CSCCc1cccnc1 62a_200000210301_200011713674 [0,0,0,0,0,0|3,0,1]=4 114 B10R1.17 CSCCc1cccnc1 62a_200011713674_200000210301 [0,0,0,0,0,0|3,0,1]=4 115 B10R1.17 CSCCc1ccncc1 62a_100000723409_200000210301 [0,0,0,0,0,0|3,0,1]=4 116 B10R1.17 CSCCc1ccncc1 62a_200000210301_100000723409 [0,0,0,0,0,0|3,0,1]=4 117 B10R1.17 CSCNc1ccccc1 34a_100000106764_100011218213 [0,0,0,0,0,0|2,0,1]=3 118 B10R1.17 CSCOc1ccccc1 34a_100000210340_100011218213 [0,0,0,0,0,0|1,0,1]=2 119 B10R1.17 CSCOc1cccnc1 34a_100000210849_100011218213 [0,0,0,0,0,0|2,0,1]=3 120 B10R1.17 CSCOc1ccncc1 34a_100000212176_100011218213 [0,0,0,0,0,0|2,0,1]=3 121 B10R1.17 CSCOc1ccnnc1 34a_100015204005_100011218213 [0,0,0,0,0,0|3,0,1]=4 122 B10R1.17 CSCSc1ccccc1 62a_100000719477_100011218213 [0,0,0,0,0,0|1,1,1]=3 123 B10R1.17 CSCSc1ccccc1 62a_100011218213_100000041952 [0,0,0,0,0,0|1,1,1]=3 124 B10R1.17 CSCSc1ccccc1 62a_100011218342_200000210301 [0,0,0,0,0,0|1,1,1]=3 125 B10R1.17 CSCSc1ccccc1 62a_200000210301_100011218342 [0,0,0,0,0,0|1,1,1]=3 126 B10R1.17 CSCSc1ccccn1 62a_100011216584_100011218213 [0,0,0,0,0,0|2,1,1]=4 127 B10R1.17 CSCSc1ccccn1 62a_100011218213_100011216584 [0,0,0,0,0,0|2,1,1]=4 128 B10R1.17 CSCSc1cccnc1 62a_100000210063_100011218213 [0,0,0,0,0,0|2,1,1]=4 129 B10R1.17 CSCSc1cccnc1 62a_100011218213_100000210063 [0,0,0,0,0,0|2,1,1]=4 130 B10R1.17 CSCSc1ccncc1 62a_100000728582_100011218213 [0,0,0,0,0,0|2,1,1]=4 131 B10R1.17 CSCSc1ccncc1 62a_100011218213_100000728582 [0,0,0,0,0,0|2,1,1]=4 132 B10R1.17 FCCNc1ccccc1 34a_100000106764_100011217306 [0,0,0,0,0,0|2,0,1]=3 133 B10R1.17 FCCOc1ccccc1 34a_100000210340_100011217306 [0,0,0,0,0,0|1,0,1]=2 134 B10R1.17 FCCOc1ccccc1 7a_100000210340_100011217306 [0,0,0,0,0,0|1,0,1]=2 135 B10R1.17 FCCOc1cccnc1 34a_100000210849_100011217306 [0,0,0,0,0,0|2,0,1]=3 136 B10R1.17 FCCOc1cccnc1 7a_100000210849_100011217306 [0,0,0,0,0,0|2,0,1]=3 137 B10R1.17 FCCOc1ccncc1 34a_100000212176_100011217306 [0,0,0,0,0,0|2,0,1]=3 138 B10R1.17 FCCOc1ccnnc1 34a_100015204005_100011217306 [0,0,0,0,0,0|3,0,1]=4 139 B10R1.17 FCCOc1cncnc1 7a_100000754086_100011217306 [0,0,0,0,0,0|3,0,1]=4 140 B10R1.17 FCCSc1ccccc1 62a_100000719477_100011217306 [0,0,0,0,0,0|1,1,1]=3 141 B10R1.17 FCCSc1ccccc1 62a_100011217306_100000041952 [0,0,0,0,0,0|1,1,1]=3 142 B10R1.17 FCCSc1ccccn1 62a_100011216584_100011217306 [0,0,0,0,0,0|2,1,1]=4 143 B10R1.17 FCCSc1ccccn1 62a_100011217306_100011216584 [0,0,0,0,0,0|2,1,1]=4 144 B10R1.17 FCCSc1cccnc1 62a_100000210063_100011217306 [0,0,0,0,0,0|2,1,1]=4 145 B10R1.17 FCCSc1cccnc1 62a_100011217306_100000210063 [0,0,0,0,0,0|2,1,1]=4 146 B10R1.17 FCCSc1ccncc1 62a_100000728582_100011217306 [0,0,0,0,0,0|2,1,1]=4 147 B10R1.17 FCCSc1ccncc1 62a_100011217306_100000728582 [0,0,0,0,0,0|2,1,1]=4 148 B10R1.17 FCNCc1ccccc1 34a_100015324214_100015361967 [0,0,0,0,0,0|3,0,1]=4 149 B10R1.17 FCOCc1ccccc1 34a_100000210790_100015361967 [0,0,0,0,0,0|3,0,1]=4 150 B10R1.17 FCOCc1ccccc1 7a_100000210790_100015361967 [0,0,0,0,0,0|3,0,1]=4 151 B10R1.17 FCSCc1ccccc1 62a_100000211182_100015361967 [0,0,0,0,0,0|3,0,1]=4 152 B10R1.17 FCSCc1ccccc1 62a_100015361967_100015291786 [0,0,0,0,0,0|3,0,1]=4 153 B10R1.17 N#CCOc1ccccc1 7a_100000210340_100011215382 [0,0,0,0,0,0|1,0,1]=2 154 B10R1.17 N#CCOc1cccnc1 7a_100000210849_100011215382 [0,0,0,0,0,0|2,0,1]=3 155 B10R1.17 N#CCOc1cncnc1 7a_100000754086_100011215382 [0,0,0,0,0,0|3,0,1]=4 156 B10R1.17 N#CCSc1ccccc1 62a_100000719477_100011215382 [0,0,0,0,0,0|1,1,1]=3 157 B10R1.17 N#CCSc1ccccc1 62a_100011215382_100000041952 [0,0,0,0,0,0|1,1,1]=3 158 B10R1.17 N#CCSc1ccccn1 62a_100011215382_100011216584 [0,0,0,0,0,0|2,1,1]=4 159 B10R1.17 N#CCSc1ccccn1 62a_100011216584_100011215382 [0,0,0,0,0,0|2,1,1]=4 160 B10R1.17 N#CCSc1cccnc1 62a_100000210063_100011215382 [0,0,0,0,0,0|2,1,1]=4 161 B10R1.17 N#CCSc1cccnc1 62a_100011215382_100000210063 [0,0,0,0,0,0|2,1,1]=4 162 B10R1.17 N#CCSc1ccncc1 62a_100000728582_100011215382 [0,0,0,0,0,0|2,1,1]=4 163 B10R1.17 N#CCSc1ccncc1 62a_100011215382_100000728582 [0,0,0,0,0,0|2,1,1]=4 164 B10R1.17 O=CCNc1ccccc1 34a_100000106764_200009817547 [0,0,0,0,0,0|2,0,0]=2 165 B10R1.17 O=CCOc1ccccc1 34a_100000210340_200009817547 [0,0,0,0,0,0|1,0,0]=1 166 B10R1.17 O=CCOc1ccccc1 7a_100000210340_200015260668 [0,0,0,0,0,0|1,0,0]=1 167 B10R1.17 O=CCOc1cccnc1 34a_100000210849_200009817547 [0,0,0,0,0,0|2,0,0]=2 168 B10R1.17 O=CCOc1cccnc1 7a_100000210849_200015260668 [0,0,0,0,0,0|2,0,0]=2 169 B10R1.17 O=CCOc1ccncc1 34a_100000212176_200009817547 [0,0,0,0,0,0|2,0,0]=2 170 B10R1.17 O=CCOc1ccnnc1 34a_100015204005_200009817547 [0,0,0,0,0,0|3,0,0]=3 171 B10R1.17 O=CCOc1cncnc1 7a_100000754086_200015260668 [0,0,0,0,0,0|3,0,0]=3 172 B10R1.17 O=CCSc1ccccc1 62a_100000719477_200015260668 [0,0,0,0,0,0|1,1,0]=2 173 B10R1.17 O=CCSc1ccccc1 62a_200015260668_100000041952 [0,0,0,0,0,0|1,1,0]=2 174 B10R1.17 O=CCSc1ccccn1 62a_100011216584_200015260668 [0,0,0,0,0,0|2,1,0]=3 175 B10R1.17 O=CCSc1ccccn1 62a_200015260668_100011216584 [0,0,0,0,0,0|2,1,0]=3 176 B10R1.17 O=CCSc1cccnc1 62a_100000210063_200015260668 [0,0,0,0,0,0|2,1,0]=3 177 B10R1.17 O=CCSc1cccnc1 62a_200015260668_100000210063 [0,0,0,0,0,0|2,1,0]=3 178 B10R1.17 O=CCSc1cccnn1 62a_100016991348_200015260668 [0,0,0,0,0,0|3,1,0]=4 179 B10R1.17 O=CCSc1cccnn1 62a_200015260668_100016991348 [0,0,0,0,0,0|3,1,0]=4 180 B10R1.17 O=CCSc1ccncc1 62a_100000728582_200015260668 [0,0,0,0,0,0|2,1,0]=3 181 B10R1.17 O=CCSc1ccncc1 62a_200015260668_100000728582 [0,0,0,0,0,0|2,1,0]=3 182 B10R1.17 O=CCSc1ccncn1 62a_100000703185_200015260668 [0,0,0,0,0,0|3,1,0]=4 183 B10R1.17 O=CCSc1ccncn1 62a_200015260668_100000703185 [0,0,0,0,0,0|3,1,0]=4 184 B10R1.17 O=CCSc1ccnnc1 62a_100000732662_200015260668 [0,0,0,0,0,0|3,1,0]=4 185 B10R1.17 O=CCSc1ccnnc1 62a_200015260668_100000732662 [0,0,0,0,0,0|3,1,0]=4 186 B10R1.17 O=CCSc1cnccn1 62a_100000211759_200015260668 [0,0,0,0,0,0|3,1,0]=4 187 B10R1.17 O=CCSc1cnccn1 62a_200015260668_100000211759 [0,0,0,0,0,0|3,1,0]=4 188 B10R1.17 O=CCSc1cncnc1 62a_100011206942_200015260668 [0,0,0,0,0,0|3,1,0]=4 189 B10R1.17 O=CCSc1cncnc1 62a_200015260668_100011206942 [0,0,0,0,0,0|3,1,0]=4 190 B10R1.17 O=CCSc1ncccn1 62a_100000211032_200015260668 [0,0,0,0,0,0|3,1,0]=4 191 B10R1.17 O=CCSc1ncccn1 62a_200015260668_100000211032 [0,0,0,0,0,0|3,1,0]=4 192 B10R1.17 OCCNc1ccccc1 34a_100000106764_100000211926 [0,0,0,0,0,0|2,0,1]=3 193 B10R1.17 OCCOc1ccccc1 34a_100000210340_100000211926 [0,0,0,0,0,0|1,0,1]=2 194 B10R1.17 OCCOc1ccccc1 7a_100000210340_100000211926 [0,0,0,0,0,0|1,0,1]=2 195 B10R1.17 OCCOc1cccnc1 34a_100000210849_100000211926 [0,0,0,0,0,0|2,0,1]=3 196 B10R1.17 OCCOc1cccnc1 7a_100000210849_100000211926 [0,0,0,0,0,0|2,0,1]=3 197 B10R1.17 OCCOc1ccncc1 34a_100000212176_100000211926 [0,0,0,0,0,0|2,0,1]=3 198 B10R1.17 OCCOc1ccnnc1 34a_100015204005_100000211926 [0,0,0,0,0,0|3,0,1]=4 199 B10R1.17 OCCOc1cncnc1 7a_100000754086_100000211926 [0,0,0,0,0,0|3,0,1]=4 200 B10R1.17 OCCSc1ccccc1 62a_100000211926_100000041952 [0,0,0,0,0,0|1,1,1]=3 201 B10R1.17 OCCSc1ccccc1 62a_100000719477_100000211926 [0,0,0,0,0,0|1,1,1]=3 202 B10R1.17 OCCSc1ccccn1 62a_100000211926_100011216584 [0,0,0,0,0,0|2,1,1]=4 203 B10R1.17 OCCSc1ccccn1 62a_100011216584_100000211926 [0,0,0,0,0,0|2,1,1]=4 204 B10R1.17 OCCSc1cccnc1 62a_100000210063_100000211926 [0,0,0,0,0,0|2,1,1]=4 205 B10R1.17 OCCSc1cccnc1 62a_100000211926_100000210063 [0,0,0,0,0,0|2,1,1]=4 206 B10R1.17 OCCSc1ccncc1 62a_100000211926_100000728582 [0,0,0,0,0,0|2,1,1]=4 207 B10R1.17 OCCSc1ccncc1 62a_100000728582_100000211926 [0,0,0,0,0,0|2,1,1]=4 208 B10R1.17 [13CH3]NCCc1ccccc1 2230a_100000106460_200025704644 [0,0,0,0,0,0|2,0,1]=3 209 B10R1.17 [13CH3]NCCc1ccccc1 34a_100000106460_200025704644 [0,0,0,0,0,0|2,0,1]=3 210 B10R1.17 [13CH3]NCCc1cccnc1 2230a_100000736294_200025704644 [0,0,0,0,0,0|3,0,1]=4 211 B10R1.17 [13CH3]OCCc1ccccc1 34a_100000210268_200025704644 [0,0,0,0,0,0|2,0,1]=3 212 B10R1.17 [13CH3]OCCc1ccccc1 7a_100000210268_200025704644 [0,0,0,0,0,0|2,0,1]=3 213 B10R1.17 [13CH3]OCCc1ccccn1 34a_100000210271_200025704644 [0,0,0,0,0,0|3,0,1]=4 214 B10R1.17 [13CH3]OCCc1cccnc1 34a_100011217484_200025704644 [0,0,0,0,0,0|3,0,1]=4 215 B10R1.17 [13CH3]OCCc1ccncc1 34a_100011216225_200025704644 [0,0,0,0,0,0|3,0,1]=4 216 B10R1.17 [13CH3]SCCc1ccccc1 62a_100000765856_200025704644 [0,0,0,0,0,0|2,0,1]=3 217 B10R1.17 [13CH3]SCCc1ccccc1 62a_200025704644_100011218657 [0,0,0,0,0,0|2,0,1]=3 218 B10R1.17 [13CH3]SCCc1ccccn1 62a_100015183660_200025704644 [0,0,0,0,0,0|3,0,1]=4 219 B10R1.17 [13CH3]SCCc1ccccn1 62a_200025704644_100015183660 [0,0,0,0,0,0|3,0,1]=4 220 B10R1.17 [13CH3]SCCc1cccnc1 62a_200011713674_200025704644 [0,0,0,0,0,0|3,0,1]=4 221 B10R1.17 [13CH3]SCCc1cccnc1 62a_200025704644_200011713674 [0,0,0,0,0,0|3,0,1]=4 222 B10R1.17 [13CH3]SCCc1ccncc1 62a_100000723409_200025704644 [0,0,0,0,0,0|3,0,1]=4 223 B10R1.17 [13CH3]SCCc1ccncc1 62a_200025704644_100000723409 [0,0,0,0,0,0|3,0,1]=4 224 B10R1.17 [13CH3]SCSc1ccccc1 62a_100011218342_200025704644 [0,0,0,0,0,0|1,1,1]=3 225 B10R1.17 [13CH3]SCSc1ccccc1 62a_200025704644_100011218342 [0,0,0,0,0,0|1,1,1]=3 226 B9R1.8 C=C=Cc1ccccc1 271570a_100015277604_100000210277 [1,0,0,0,0,0|0,0,2]=3 227 B9R1.8 C=C=Cc1ccccn1 271570a_100015277604_100011216584 [1,0,0,0,0,0|1,0,2]=4 228 B9R1.8 C=C=Cc1cccnc1 271570a_100015277604_100000752921 [1,0,0,0,0,0|1,0,2]=4 229 B9R1.8 C=C=Cc1ccncc1 271570a_100015277604_100000035832 [1,0,0,0,0,0|1,0,2]=4 230 B9R1.8 CC=Cc1ccccc1 271570a_100016259895_100000210277 [1,0,0,0,0,0|0,0,2]=3 231 B9R1.8 CC=Cc1ccccn1 271570a_100016259895_100011216584 [1,0,0,0,0,0|1,0,2]=4 232 B9R1.8 CC=Cc1cccnc1 271570a_100016259895_100000752921 [1,0,0,0,0,0|1,0,2]=4 233 B9R1.8 CC=Cc1ccncc1 271570a_100016259895_100000035832 [1,0,0,0,0,0|1,0,2]=4 234 B9R1.8 CCNc1ccccc1 34a_100000106764_100000210202 [1,0,0,0,0,0|1,0,1]=3 235 B9R1.8 CCOc1ccccc1 34a_100000210340_100000210202 [1,0,0,0,0,0|0,0,1]=2 236 B9R1.8 CCOc1ccccc1 7a_100000210340_100000210202 [1,0,0,0,0,0|0,0,1]=2 237 B9R1.8 CCOc1cccnc1 34a_100000210849_100000210202 [1,0,0,0,0,0|1,0,1]=3 238 B9R1.8 CCOc1cccnc1 7a_100000210849_100000210202 [1,0,0,0,0,0|1,0,1]=3 239 B9R1.8 CCOc1ccncc1 34a_100000212176_100000210202 [1,0,0,0,0,0|1,0,1]=3 240 B9R1.8 CCOc1ccnnc1 34a_100015204005_100000210202 [1,0,0,0,0,0|2,0,1]=4 241 B9R1.8 CCOc1cncnc1 7a_100000754086_100000210202 [1,0,0,0,0,0|2,0,1]=4 242 B9R1.8 CCSc1ccccc1 62a_100000210202_100000041952 [1,0,0,0,0,0|0,1,1]=3 243 B9R1.8 CCSc1ccccc1 62a_100000719477_100000210202 [1,0,0,0,0,0|0,1,1]=3 244 B9R1.8 CCSc1ccccn1 62a_100000210202_100011216584 [1,0,0,0,0,0|1,1,1]=4 245 B9R1.8 CCSc1ccccn1 62a_100011216584_100000210202 [1,0,0,0,0,0|1,1,1]=4 246 B9R1.8 CCSc1cccnc1 62a_100000210063_100000210202 [1,0,0,0,0,0|1,1,1]=4 247 B9R1.8 CCSc1cccnc1 62a_100000210202_100000210063 [1,0,0,0,0,0|1,1,1]=4 248 B9R1.8 CCSc1ccncc1 62a_100000210202_100000728582 [1,0,0,0,0,0|1,1,1]=4 249 B9R1.8 CCSc1ccncc1 62a_100000728582_100000210202 [1,0,0,0,0,0|1,1,1]=4 250 B9R1.8 CNCc1ccccc1 207a_100102657272_100015611070 [1,0,0,0,0,0|1,0,1]=3 251 B9R1.8 CNCc1ccccc1 2230a_100015324214_200000210301 [1,0,0,0,0,0|1,0,1]=3 252 B9R1.8 CNCc1ccccc1 2230a_106832991635_100015291786 [1,0,0,0,0,0|1,0,1]=3 253 B9R1.8 CNCc1ccccc1 270004a_106832991635_100015611070 [1,0,0,0,0,0|1,0,1]=3 254 B9R1.8 CNCc1ccccc1 34a_100015324214_200000210301 [1,0,0,0,0,0|1,0,1]=3 255 B9R1.8 CNCc1ccccc1 34a_100102657272_100015291786 [1,0,0,0,0,0|1,0,1]=3 256 B9R1.8 CNCc1ccccc1 7a_106832991635_100000211182 [1,0,0,0,0,0|1,0,1]=3 257 B9R1.8 CNCc1ccccn1 207a_100102657272_100000209966 [1,0,0,0,0,0|2,0,1]=4 258 B9R1.8 CNCc1ccccn1 2230a_106832991635_100000721315 [1,0,0,0,0,0|2,0,1]=4 259 B9R1.8 CNCc1ccccn1 270004a_106832991635_100000209966 [1,0,0,0,0,0|2,0,1]=4 260 B9R1.8 CNCc1ccccn1 34a_100102657272_100000721315 [1,0,0,0,0,0|2,0,1]=4 261 B9R1.8 CNCc1ccccn1 7a_106832991635_100000721315 [1,0,0,0,0,0|2,0,1]=4 262 B9R1.8 CNCc1cccnc1 207a_100102657272_100000209961 [1,0,0,0,0,0|2,0,1]=4 263 B9R1.8 CNCc1cccnc1 2230a_106832991635_100000741622 [1,0,0,0,0,0|2,0,1]=4 264 B9R1.8 CNCc1cccnc1 270004a_106832991635_100000209961 [1,0,0,0,0,0|2,0,1]=4 265 B9R1.8 CNCc1cccnc1 34a_100102657272_100000733263 [1,0,0,0,0,0|2,0,1]=4 266 B9R1.8 CNCc1cccnc1 7a_106832991635_100000741622 [1,0,0,0,0,0|2,0,1]=4 267 B9R1.8 CNCc1ccncc1 207a_100102657272_100000186114 [1,0,0,0,0,0|2,0,1]=4 268 B9R1.8 CNCc1ccncc1 2230a_106832991635_100015193705 [1,0,0,0,0,0|2,0,1]=4 269 B9R1.8 CNCc1ccncc1 7a_106832991635_100015193705 [1,0,0,0,0,0|2,0,1]=4 270 B9R1.8 COCc1ccccc1 34a_100000210790_200000210301 [1,0,0,0,0,0|1,0,1]=3 271 B9R1.8 COCc1ccccc1 34a_100138415774_100015291786 [1,0,0,0,0,0|1,0,1]=3 272 B9R1.8 COCc1ccccc1 7a_100000210790_200000210301 [1,0,0,0,0,0|1,0,1]=3 273 B9R1.8 COCc1ccccn1 34a_100138415774_100000721315 [1,0,0,0,0,0|2,0,1]=4 274 B9R1.8 COCc1cccnc1 34a_100138415774_100000733263 [1,0,0,0,0,0|2,0,1]=4 275 B9R1.8 CSCc1ccccc1 62a_100000211182_200000210301 [1,0,0,0,0,0|1,0,1]=3 276 B9R1.8 CSCc1ccccc1 62a_200000210301_100015291786 [1,0,0,0,0,0|1,0,1]=3 277 B9R1.8 CSCc1ccccn1 62a_100000721315_200000210301 [1,0,0,0,0,0|2,0,1]=4 278 B9R1.8 CSCc1ccccn1 62a_200000210301_100000721315 [1,0,0,0,0,0|2,0,1]=4 279 B9R1.8 CSCc1cccnc1 62a_100000741622_200000210301 [1,0,0,0,0,0|2,0,1]=4 280 B9R1.8 CSCc1cccnc1 62a_200000210301_100000741622 [1,0,0,0,0,0|2,0,1]=4 281 B9R1.8 CSCc1ccncc1 62a_100015193705_200000210301 [1,0,0,0,0,0|2,0,1]=4 282 B9R1.8 CSCc1ccncc1 62a_200000210301_100015193705 [1,0,0,0,0,0|2,0,1]=4 283 B9R1.8 FCNc1ccccc1 34a_100000106764_100015361967 [1,0,0,0,0,0|2,0,0]=3 284 B9R1.8 FCOc1ccccc1 34a_100000210340_100015361967 [1,0,0,0,0,0|1,0,0]=2 285 B9R1.8 FCOc1ccccc1 7a_100000210340_100015361967 [1,0,0,0,0,0|1,0,0]=2 286 B9R1.8 FCOc1cccnc1 34a_100000210849_100015361967 [1,0,0,0,0,0|2,0,0]=3 287 B9R1.8 FCOc1cccnc1 7a_100000210849_100015361967 [1,0,0,0,0,0|2,0,0]=3 288 B9R1.8 FCOc1ccncc1 34a_100000212176_100015361967 [1,0,0,0,0,0|2,0,0]=3 289 B9R1.8 FCOc1ccnnc1 34a_100015204005_100015361967 [1,0,0,0,0,0|3,0,0]=4 290 B9R1.8 FCOc1cncnc1 7a_100000754086_100015361967 [1,0,0,0,0,0|3,0,0]=4 291 B9R1.8 FCSc1ccccc1 62a_100000719477_100015361967 [1,0,0,0,0,0|1,1,0]=3 292 B9R1.8 FCSc1ccccc1 62a_100015361967_100000041952 [1,0,0,0,0,0|1,1,0]=3 293 B9R1.8 FCSc1ccccn1 62a_100011216584_100015361967 [1,0,0,0,0,0|2,1,0]=4 294 B9R1.8 FCSc1ccccn1 62a_100015361967_100011216584 [1,0,0,0,0,0|2,1,0]=4 295 B9R1.8 FCSc1cccnc1 62a_100000210063_100015361967 [1,0,0,0,0,0|2,1,0]=4 296 B9R1.8 FCSc1cccnc1 62a_100015361967_100000210063 [1,0,0,0,0,0|2,1,0]=4 297 B9R1.8 FCSc1ccncc1 62a_100000728582_100015361967 [1,0,0,0,0,0|2,1,0]=4 298 B9R1.8 FCSc1ccncc1 62a_100015361967_100000728582 [1,0,0,0,0,0|2,1,0]=4 299 B9R1.8 [13CH3]NCc1ccccc1 2230a_100015324214_200025704644 [1,0,0,0,0,0|1,0,1]=3 300 B9R1.8 [13CH3]NCc1ccccc1 34a_100015324214_200025704644 [1,0,0,0,0,0|1,0,1]=3 301 B9R1.8 [13CH3]OCc1ccccc1 34a_100000210790_200025704644 [1,0,0,0,0,0|1,0,1]=3 302 B9R1.8 [13CH3]OCc1ccccc1 7a_100000210790_200025704644 [1,0,0,0,0,0|1,0,1]=3 303 B9R1.8 [13CH3]SCc1ccccc1 62a_100000211182_200025704644 [1,0,0,0,0,0|1,0,1]=3 304 B9R1.8 [13CH3]SCc1ccccc1 62a_200025704644_100015291786 [1,0,0,0,0,0|1,0,1]=3 305 B9R1.8 [13CH3]SCc1ccccn1 62a_100000721315_200025704644 [1,0,0,0,0,0|2,0,1]=4 306 B9R1.8 [13CH3]SCc1ccccn1 62a_200025704644_100000721315 [1,0,0,0,0,0|2,0,1]=4 307 B9R1.8 [13CH3]SCc1cccnc1 62a_100000741622_200025704644 [1,0,0,0,0,0|2,0,1]=4 308 B9R1.8 [13CH3]SCc1cccnc1 62a_200025704644_100000741622 [1,0,0,0,0,0|2,0,1]=4 309 B9R1.8 [13CH3]SCc1ccncc1 62a_100015193705_200025704644 [1,0,0,0,0,0|2,0,1]=4 310 B9R1.8 [13CH3]SCc1ccncc1 62a_200025704644_100015193705 [1,0,0,0,0,0|2,0,1]=4 311 B11R1.1 C#CCNc1ccc(cc1)Br 2230a_100000210018_100000038162 [0,1,0,0,0,0|1,0,2]=4 312 B11R1.1 C#CCNc1ccc(cc1)Br 34a_100000210018_100000184674 [0,1,0,0,0,0|1,0,2]=4 313 B11R1.1 C#CCNc1ccc(cc1)C 34a_100000124888_100000184674 [0,1,0,0,0,0|1,0,2]=4 314 B11R1.1 C#CCNc1ccc(cc1)Cl 2230a_100000210052_100000038162 [0,1,0,0,0,0|1,0,2]=4 315 B11R1.1 C#CCNc1ccc(cc1)Cl 34a_100000210052_100000184674 [0,1,0,0,0,0|1,0,2]=4 316 B11R1.1 C#CCNc1ccc(cc1)F 34a_100000185862_100000184674 [0,1,0,0,0,0|1,0,2]=4 317 B11R1.1 C#CCNc1ccc(cc1)I 34a_100000185761_100000184674 [0,1,0,0,0,0|1,0,2]=4 318 B11R1.1 C#CCNc1ccc(cc1)O 34a_100000185829_100000184674 [0,1,0,0,0,0|1,0,2]=4 319 B11R1.1 C#CCOc1ccc(=O)[nH]c1 34a_100000075641_100000184674 [0,1,0,0,0,0|1,0,2]=4 320 B11R1.1 C#CCOc1ccc(cc1)Br 34a_100000185759_100000184674 [0,1,0,0,0,0|0,0,2]=3 321 B11R1.1 C#CCOc1ccc(cc1)Br 7a_100000185759_100000038162 [0,1,0,0,0,0|0,0,2]=3 322 B11R1.1 C#CCOc1ccc(cc1)C 34a_100000210336_100000184674 [0,1,0,0,0,0|0,0,2]=3 323 B11R1.1 C#CCOc1ccc(cc1)C 7a_100000210336_100000038162 [0,1,0,0,0,0|0,0,2]=3 324 B11R1.1 C#CCOc1ccc(cc1)Cl 34a_100000210216_100000184674 [0,1,0,0,0,0|0,0,2]=3 325 B11R1.1 C#CCOc1ccc(cc1)Cl 7a_100000210216_100000038162 [0,1,0,0,0,0|0,0,2]=3 326 B11R1.1 C#CCOc1ccc(cc1)F 34a_100000210339_100000184674 [0,1,0,0,0,0|0,0,2]=3 327 B11R1.1 C#CCOc1ccc(cc1)I 34a_100000212066_100000184674 [0,1,0,0,0,0|0,0,2]=3 328 B11R1.1 C#CCOc1ccc(cc1)I 7a_100000212066_100000038162 [0,1,0,0,0,0|0,0,2]=3 329 B11R1.1 C#CCOc1ccc(cc1)N 34a_100000185829_100000184674 [0,1,0,0,0,0|0,0,2]=3 330 B11R1.1 C#CCOc1ccc(cn1)C 34a_100000759353_100000184674 [0,1,0,0,0,0|1,0,2]=4 331 B11R1.1 C#CCOc1ccc(cn1)Cl 34a_100011215309_100000184674 [0,1,0,0,0,0|1,0,2]=4 332 B11R1.1 C#CCOc1ccc(cn1)F 34a_100000742473_100000184674 [0,1,0,0,0,0|1,0,2]=4 333 B11R1.1 C#CCOc1ccc(cn1)N 34a_100000729260_100000184674 [0,1,0,0,0,0|1,0,2]=4 334 B11R1.1 C#CCOc1ccc(nc1)Br 34a_100000685995_100000184674 [0,1,0,0,0,0|1,0,2]=4 335 B11R1.1 C#CCOc1ccc(nc1)Br 7a_100000685995_100000038162 [0,1,0,0,0,0|1,0,2]=4 336 B11R1.1 C#CCOc1ccc(nc1)C 34a_100000745506_100000184674 [0,1,0,0,0,0|1,0,2]=4 337 B11R1.1 C#CCOc1ccc(nc1)C 7a_100000745506_100000038162 [0,1,0,0,0,0|1,0,2]=4 338 B11R1.1 C#CCOc1ccc(nc1)Cl 34a_100000744096_100000184674 [0,1,0,0,0,0|1,0,2]=4 339 B11R1.1 C#CCOc1ccc(nc1)Cl 7a_100000744096_100000038162 [0,1,0,0,0,0|1,0,2]=4 340 B11R1.1 C#CCOc1ccc(nc1)F 34a_100000688820_100000184674 [0,1,0,0,0,0|1,0,2]=4 341 B11R1.1 C#CCOc1ccc(nc1)F 7a_100000688820_100000038162 [0,1,0,0,0,0|1,0,2]=4 342 B11R1.1 C#CCOc1ccc(nc1)I 34a_100000687607_100000184674 [0,1,0,0,0,0|1,0,2]=4 343 B11R1.1 C#CCOc1ccc(nc1)I 7a_100000687607_100000038162 [0,1,0,0,0,0|1,0,2]=4 344 B11R1.1 C#CCOc1ccc(nc1)N 34a_100015188713_100000184674 [0,1,0,0,0,0|1,0,2]=4 345 B11R1.1 C#CCOc1ccc(nc1)N 7a_100015188713_100000038162 [0,1,0,0,0,0|1,0,2]=4 346 B11R1.1 C#CCSc1ccc(cc1)Br 62a_100000038162_100000752885 [0,1,0,0,0,0|0,1,2]=4 347 B11R1.1 C#CCSc1ccc(cc1)C 62a_100000038162_100000186775 [0,1,0,0,0,0|0,1,2]=4 348 B11R1.1 C#CCSc1ccc(cc1)Cl 62a_100000038162_100000755918 [0,1,0,0,0,0|0,1,2]=4 349 B11R1.1 C#CCSc1ccc(cc1)F 62a_100000038162_100000211213 [0,1,0,0,0,0|0,1,2]=4 350 B11R1.1 C#CCSc1ccc(cc1)N 62a_100000038162_100000185761 [0,1,0,0,0,0|0,1,2]=4 351 B11R1.1 C#CCSc1ccc(cc1)O 62a_100000038162_100000185759 [0,1,0,0,0,0|0,1,2]=4 352 B11R1.1 C=CCNc1ccc(cc1)Br 2230a_100000210018_100000210623 [0,1,0,0,0,0|1,0,0]=2 353 B11R1.1 C=CCNc1ccc(cc1)Br 34a_100000210018_100015514636 [0,1,0,0,0,0|1,0,0]=2 354 B11R1.1 C=CCNc1ccc(cc1)C 34a_100000124888_100015514636 [0,1,0,0,0,0|1,0,0]=2 355 B11R1.1 C=CCNc1ccc(cc1)Cl 2230a_100000210052_100000210623 [0,1,0,0,0,0|1,0,0]=2 356 B11R1.1 C=CCNc1ccc(cc1)Cl 34a_100000210052_100015514636 [0,1,0,0,0,0|1,0,0]=2 357 B11R1.1 C=CCNc1ccc(cc1)F 34a_100000185862_100015514636 [0,1,0,0,0,0|1,0,0]=2 358 B11R1.1 C=CCNc1ccc(cc1)I 34a_100000185761_100015514636 [0,1,0,0,0,0|1,0,0]=2 359 B11R1.1 C=CCNc1ccc(cc1)O 34a_100000185829_100015514636 [0,1,0,0,0,0|1,0,0]=2 360 B11R1.1 C=CCNc1ccc(cn1)Br 27a_100020586998_100000686858 [0,1,0,0,0,0|2,0,0]=3 361 B11R1.1 C=CCNc1ccc(nn1)C 27a_100020586998_100000744512 [0,1,0,0,0,0|3,0,0]=4 362 B11R1.1 C=CCNc1cnc(cn1)Br 27a_100020586998_100010187541 [0,1,0,0,0,0|3,0,0]=4 363 B11R1.1 C=CCNc1cnc(cn1)C 27a_100020586998_100000074397 [0,1,0,0,0,0|3,0,0]=4 364 B11R1.1 C=CCNc1cnc(cn1)F 27a_100020586998_100009856528 [0,1,0,0,0,0|3,0,0]=4 365 B11R1.1 C=CCNc1ncc(cn1)Br 27a_100020586998_100000690281 [0,1,0,0,0,0|3,0,0]=4 366 B11R1.1 C=CCNc1ncc(cn1)C 27a_100020586998_100000061069 [0,1,0,0,0,0|3,0,0]=4 367 B11R1.1 C=CCNc1ncc(cn1)Cl 27a_100020586998_100011356929 [0,1,0,0,0,0|3,0,0]=4 368 B11R1.1 C=CCNc1ncc(cn1)F 27a_100020586998_100000685220 [0,1,0,0,0,0|3,0,0]=4 369 B11R1.1 C=CCOc1ccc(=O)[nH]c1 34a_100000075641_100015514636 [0,1,0,0,0,0|1,0,0]=2 370 B11R1.1 C=CCOc1ccc(cc1)Br 34a_100000185759_100015514636 [0,1,0,0,0,0|0,0,0]=1 371 B11R1.1 C=CCOc1ccc(cc1)Br 7a_100000185759_100015514636 [0,1,0,0,0,0|0,0,0]=1 372 B11R1.1 C=CCOc1ccc(cc1)C 34a_100000210336_100015514636 [0,1,0,0,0,0|0,0,0]=1 373 B11R1.1 C=CCOc1ccc(cc1)C 7a_100000210336_100015514636 [0,1,0,0,0,0|0,0,0]=1 374 B11R1.1 C=CCOc1ccc(cc1)Cl 34a_100000210216_100015514636 [0,1,0,0,0,0|0,0,0]=1 375 B11R1.1 C=CCOc1ccc(cc1)Cl 7a_100000210216_100015514636 [0,1,0,0,0,0|0,0,0]=1 376 B11R1.1 C=CCOc1ccc(cc1)F 34a_100000210339_100015514636 [0,1,0,0,0,0|0,0,0]=1 377 B11R1.1 C=CCOc1ccc(cc1)I 34a_100000212066_100015514636 [0,1,0,0,0,0|0,0,0]=1 378 B11R1.1 C=CCOc1ccc(cc1)I 7a_100000212066_100015514636 [0,1,0,0,0,0|0,0,0]=1 379 B11R1.1 C=CCOc1ccc(cc1)N 34a_100000185829_100015514636 [0,1,0,0,0,0|0,0,0]=1 380 B11R1.1 C=CCOc1ccc(cc1)O 271570a_203496583355_100000172055 [0,1,0,0,0,0|0,0,0]=1 381 B11R1.1 C=CCOc1ccc(cn1)C 34a_100000759353_100015514636 [0,1,0,0,0,0|1,0,0]=2 382 B11R1.1 C=CCOc1ccc(cn1)Cl 34a_100011215309_100015514636 [0,1,0,0,0,0|1,0,0]=2 383 B11R1.1 C=CCOc1ccc(cn1)F 34a_100000742473_100015514636 [0,1,0,0,0,0|1,0,0]=2 384 B11R1.1 C=CCOc1ccc(cn1)N 34a_100000729260_100015514636 [0,1,0,0,0,0|1,0,0]=2 385 B11R1.1 C=CCOc1ccc(nc1)Br 34a_100000685995_100015514636 [0,1,0,0,0,0|1,0,0]=2 386 B11R1.1 C=CCOc1ccc(nc1)Br 7a_100000685995_100015514636 [0,1,0,0,0,0|1,0,0]=2 387 B11R1.1 C=CCOc1ccc(nc1)C 34a_100000745506_100015514636 [0,1,0,0,0,0|1,0,0]=2 388 B11R1.1 C=CCOc1ccc(nc1)C 7a_100000745506_100015514636 [0,1,0,0,0,0|1,0,0]=2 389 B11R1.1 C=CCOc1ccc(nc1)Cl 34a_100000744096_100015514636 [0,1,0,0,0,0|1,0,0]=2 390 B11R1.1 C=CCOc1ccc(nc1)Cl 7a_100000744096_100015514636 [0,1,0,0,0,0|1,0,0]=2 391 B11R1.1 C=CCOc1ccc(nc1)F 34a_100000688820_100015514636 [0,1,0,0,0,0|1,0,0]=2 392 B11R1.1 C=CCOc1ccc(nc1)F 7a_100000688820_100015514636 [0,1,0,0,0,0|1,0,0]=2 393 B11R1.1 C=CCOc1ccc(nc1)I 34a_100000687607_100015514636 [0,1,0,0,0,0|1,0,0]=2 394 B11R1.1 C=CCOc1ccc(nc1)I 7a_100000687607_100015514636 [0,1,0,0,0,0|1,0,0]=2 395 B11R1.1 C=CCOc1ccc(nc1)N 34a_100015188713_100015514636 [0,1,0,0,0,0|1,0,0]=2 396 B11R1.1 C=CCOc1ccc(nc1)N 7a_100015188713_100015514636 [0,1,0,0,0,0|1,0,0]=2 397 B11R1.1 C=CCOc1cnc(cn1)Br 34a_100011934580_100015514636 [0,1,0,0,0,0|2,0,0]=3 398 B11R1.1 C=CCOc1cnc(cn1)Cl 34a_100015839800_100015514636 [0,1,0,0,0,0|2,0,0]=3 399 B11R1.1 C=CCOc1cnc(nc1)Br 34a_100000730009_100015514636 [0,1,0,0,0,0|2,0,0]=3 400 B11R1.1 C=CCOc1cnc(nc1)Br 7a_100000730009_100015514636 [0,1,0,0,0,0|2,0,0]=3 401 B11R1.1 C=CCOc1cnc(nc1)C 34a_100000062939_100015514636 [0,1,0,0,0,0|2,0,0]=3 402 B11R1.1 C=CCOc1cnc(nc1)C 7a_100000062939_100015514636 [0,1,0,0,0,0|2,0,0]=3 403 B11R1.1 C=CCOc1cnc(nc1)Cl 34a_100000092845_100015514636 [0,1,0,0,0,0|2,0,0]=3 404 B11R1.1 C=CCOc1cnc(nc1)Cl 7a_100000092845_100015514636 [0,1,0,0,0,0|2,0,0]=3 405 B11R1.1 C=CCOc1cnc(nc1)F 34a_200009874573_100015514636 [0,1,0,0,0,0|2,0,0]=3 406 B11R1.1 C=CCOc1cnc(nc1)F 7a_200009874573_100015514636 [0,1,0,0,0,0|2,0,0]=3 407 B11R1.1 C=CCOc1cnc(nc1)N 34a_100000087137_100015514636 [0,1,0,0,0,0|2,0,0]=3 408 B11R1.1 C=CCOc1cnc(nc1)N 7a_100000087137_100015514636 [0,1,0,0,0,0|2,0,0]=3 409 B11R1.1 C=CCOc1ncc(cn1)F 34a_100011934040_100015514636 [0,1,0,0,0,0|2,0,0]=3 410 B11R1.1 C=CCSc1cc[n+](cc1)[O-] 62a_100000210623_100000039755 [0,1,0,0,0,0|1,1,0]=3 411 B11R1.1 C=CCSc1ccc(=O)[nH]c1 62a_100000210623_100000212171 [0,1,0,0,0,0|1,1,0]=3 412 B11R1.1 C=CCSc1ccc(=O)[nH]c1 62a_100000212171_100000210623 [0,1,0,0,0,0|1,1,0]=3 413 B11R1.1 C=CCSc1ccc(=O)[nH]n1 62a_100000210623_100009820020 [0,1,0,0,0,0|2,1,0]=4 414 B11R1.1 C=CCSc1ccc(=O)[nH]n1 62a_100009820020_100000210623 [0,1,0,0,0,0|2,1,0]=4 415 B11R1.1 C=CCSc1ccc(cc1)Br 62a_100000210623_100000752885 [0,1,0,0,0,0|0,1,0]=2 416 B11R1.1 C=CCSc1ccc(cc1)Br 62a_100000752885_100000210623 [0,1,0,0,0,0|0,1,0]=2 417 B11R1.1 C=CCSc1ccc(cc1)C 62a_100000186775_100000210623 [0,1,0,0,0,0|0,1,0]=2 418 B11R1.1 C=CCSc1ccc(cc1)C 62a_100000210623_100000186775 [0,1,0,0,0,0|0,1,0]=2 419 B11R1.1 C=CCSc1ccc(cc1)Cl 62a_100000210623_100000755918 [0,1,0,0,0,0|0,1,0]=2 420 B11R1.1 C=CCSc1ccc(cc1)Cl 62a_100000755918_100000210623 [0,1,0,0,0,0|0,1,0]=2 421 B11R1.1 C=CCSc1ccc(cc1)F 62a_100000210623_100000211213 [0,1,0,0,0,0|0,1,0]=2 422 B11R1.1 C=CCSc1ccc(cc1)F 62a_100000211213_100000210623 [0,1,0,0,0,0|0,1,0]=2 423 B11R1.1 C=CCSc1ccc(cc1)N 62a_100000185761_100000210623 [0,1,0,0,0,0|0,1,0]=2 424 B11R1.1 C=CCSc1ccc(cc1)N 62a_100000210623_100000185761 [0,1,0,0,0,0|0,1,0]=2 425 B11R1.1 C=CCSc1ccc(cc1)O 62a_100000210623_100000185759 [0,1,0,0,0,0|0,1,0]=2 426 B11R1.1 C=CCSc1ccc(cn1)Br 62a_100000210623_100000686858 [0,1,0,0,0,0|1,1,0]=3 427 B11R1.1 C=CCSc1ccc(cn1)Br 62a_100000686858_100000210623 [0,1,0,0,0,0|1,1,0]=3 428 B11R1.1 C=CCSc1ccc(cn1)C 62a_100000210623_100000754016 [0,1,0,0,0,0|1,1,0]=3 429 B11R1.1 C=CCSc1ccc(cn1)C 62a_100011192072_100000210623 [0,1,0,0,0,0|1,1,0]=3 430 B11R1.1 C=CCSc1ccc(cn1)Cl 62a_100000210623_100011356976 [0,1,0,0,0,0|1,1,0]=3 431 B11R1.1 C=CCSc1ccc(cn1)Cl 62a_100011356976_100000210623 [0,1,0,0,0,0|1,1,0]=3 432 B11R1.1 C=CCSc1ccc(cn1)F 62a_100000210623_100000744514 [0,1,0,0,0,0|1,1,0]=3 433 B11R1.1 C=CCSc1ccc(cn1)F 62a_100000744514_100000210623 [0,1,0,0,0,0|1,1,0]=3 434 B11R1.1 C=CCSc1ccc(cn1)N 62a_100000210623_100000737798 [0,1,0,0,0,0|1,1,0]=3 435 B11R1.1 C=CCSc1ccc(cn1)N 62a_100000737798_100000210623 [0,1,0,0,0,0|1,1,0]=3 436 B11R1.1 C=CCSc1ccc(cn1)O 62a_100000210623_100000744096 [0,1,0,0,0,0|1,1,0]=3 437 B11R1.1 C=CCSc1ccc(cn1)O 62a_100000685995_100000210623 [0,1,0,0,0,0|1,1,0]=3 438 B11R1.1 C=CCSc1ccc(nc1)Br 62a_100000210623_100009814638 [0,1,0,0,0,0|1,1,0]=3 439 B11R1.1 C=CCSc1ccc(nc1)Br 62a_100009814638_100000210623 [0,1,0,0,0,0|1,1,0]=3 440 B11R1.1 C=CCSc1ccc(nc1)C 62a_100000210623_100000751577 [0,1,0,0,0,0|1,1,0]=3 441 B11R1.1 C=CCSc1ccc(nc1)C 62a_100000751577_100000210623 [0,1,0,0,0,0|1,1,0]=3 442 B11R1.1 C=CCSc1ccc(nc1)Cl 62a_100000034144_100000210623 [0,1,0,0,0,0|1,1,0]=3 443 B11R1.1 C=CCSc1ccc(nc1)Cl 62a_100000210623_100000034144 [0,1,0,0,0,0|1,1,0]=3 444 B11R1.1 C=CCSc1ccc(nc1)F 62a_100000042367_100000210623 [0,1,0,0,0,0|1,1,0]=3 445 B11R1.1 C=CCSc1ccc(nc1)F 62a_100000210623_100000042367 [0,1,0,0,0,0|1,1,0]=3 446 B11R1.1 C=CCSc1ccc(nc1)N 62a_100000187370_100000210623 [0,1,0,0,0,0|1,1,0]=3 447 B11R1.1 C=CCSc1ccc(nc1)N 62a_100000210623_100000187370 [0,1,0,0,0,0|1,1,0]=3 448 B11R1.1 C=CCSc1ccc(nn1)C 62a_100000210623_100000744512 [0,1,0,0,0,0|2,1,0]=4 449 B11R1.1 C=CCSc1ccc(nn1)C 62a_100000744512_100000210623 [0,1,0,0,0,0|2,1,0]=4 450 B11R1.1 C=CCSc1ccc(nn1)Cl 62a_100000068654_100000210623 [0,1,0,0,0,0|2,1,0]=4 451 B11R1.1 C=CCSc1ccc(nn1)Cl 62a_100000210623_100000068654 [0,1,0,0,0,0|2,1,0]=4 452 B11R1.1 C=CCSc1ccc(nn1)N 62a_100000210623_100010219413 [0,1,0,0,0,0|2,1,0]=4 453 B11R1.1 C=CCSc1ccc(nn1)N 62a_100010219413_100000210623 [0,1,0,0,0,0|2,1,0]=4 454 B11R1.1 C=CCSc1cnc(=O)[nH]c1 62a_100000210623_102495366499 [0,1,0,0,0,0|2,1,0]=4 455 B11R1.1 C=CCSc1cnc(=O)[nH]c1 62a_102495366499_100000210623 [0,1,0,0,0,0|2,1,0]=4 456 B11R1.1 C=CCSc1cnc(cn1)Br 62a_100000210623_100010187541 [0,1,0,0,0,0|2,1,0]=4 457 B11R1.1 C=CCSc1cnc(cn1)Br 62a_100010187541_100000210623 [0,1,0,0,0,0|2,1,0]=4 458 B11R1.1 C=CCSc1cnc(cn1)C 62a_100000210623_100011999403 [0,1,0,0,0,0|2,1,0]=4 459 B11R1.1 C=CCSc1cnc(cn1)C 62a_100011999403_100000210623 [0,1,0,0,0,0|2,1,0]=4 460 B11R1.1 C=CCSc1cnc(cn1)Cl 62a_100000210623_100010214907 [0,1,0,0,0,0|2,1,0]=4 461 B11R1.1 C=CCSc1cnc(cn1)Cl 62a_100010214907_100000210623 [0,1,0,0,0,0|2,1,0]=4 462 B11R1.1 C=CCSc1cnc(cn1)F 62a_100000210623_100009856528 [0,1,0,0,0,0|2,1,0]=4 463 B11R1.1 C=CCSc1cnc(cn1)F 62a_100009856528_100000210623 [0,1,0,0,0,0|2,1,0]=4 464 B11R1.1 C=CCSc1cnc(cn1)N 62a_100000210623_100000744751 [0,1,0,0,0,0|2,1,0]=4 465 B11R1.1 C=CCSc1cnc(cn1)N 62a_100000744751_100000210623 [0,1,0,0,0,0|2,1,0]=4 466 B11R1.1 C=CCSc1cnc(cn1)O 62a_100000210623_100015839800 [0,1,0,0,0,0|2,1,0]=4 467 B11R1.1 C=CCSc1cnc(cn1)O 62a_100011934580_100000210623 [0,1,0,0,0,0|2,1,0]=4 468 B11R1.1 C=CCSc1cnc(nc1)Br 62a_100000210623_200012349914 [0,1,0,0,0,0|2,1,0]=4 469 B11R1.1 C=CCSc1cnc(nc1)Br 62a_200012349914_100000210623 [0,1,0,0,0,0|2,1,0]=4 470 B11R1.1 C=CCSc1cnc(nc1)C 62a_100000210623_100000686985 [0,1,0,0,0,0|2,1,0]=4 471 B11R1.1 C=CCSc1cnc(nc1)C 62a_100000686985_100000210623 [0,1,0,0,0,0|2,1,0]=4 472 B11R1.1 C=CCSc1cnc(nc1)Cl 62a_100000059775_100000210623 [0,1,0,0,0,0|2,1,0]=4 473 B11R1.1 C=CCSc1cnc(nc1)Cl 62a_100000210623_100000059775 [0,1,0,0,0,0|2,1,0]=4 474 B11R1.1 C=CCSc1cnc(nc1)F 62a_100000210623_100000685262 [0,1,0,0,0,0|2,1,0]=4 475 B11R1.1 C=CCSc1cnc(nc1)F 62a_100000685262_100000210623 [0,1,0,0,0,0|2,1,0]=4 476 B11R1.1 C=CCSc1cnc(nc1)N 62a_100000210623_100000766020 [0,1,0,0,0,0|2,1,0]=4 477 B11R1.1 C=CCSc1cnc(nc1)N 62a_100000766020_100000210623 [0,1,0,0,0,0|2,1,0]=4 478 B11R1.1 C=CCSc1ncc(cn1)Br 62a_100000210623_100000690281 [0,1,0,0,0,0|2,1,0]=4 479 B11R1.1 C=CCSc1ncc(cn1)Br 62a_100000690281_100000210623 [0,1,0,0,0,0|2,1,0]=4 480 B11R1.1 C=CCSc1ncc(cn1)C 62a_100000061069_100000210623 [0,1,0,0,0,0|2,1,0]=4 481 B11R1.1 C=CCSc1ncc(cn1)C 62a_100000210623_100000061069 [0,1,0,0,0,0|2,1,0]=4 482 B11R1.1 C=CCSc1ncc(cn1)Cl 62a_100000210623_100011356929 [0,1,0,0,0,0|2,1,0]=4 483 B11R1.1 C=CCSc1ncc(cn1)Cl 62a_100011356929_100000210623 [0,1,0,0,0,0|2,1,0]=4 484 B11R1.1 C=CCSc1ncc(cn1)F 62a_100000210623_100000685220 [0,1,0,0,0,0|2,1,0]=4 485 B11R1.1 C=CCSc1ncc(cn1)F 62a_100000685220_100000210623 [0,1,0,0,0,0|2,1,0]=4 486 B11R1.1 C=CCSc1ncc(cn1)N 62a_100000068403_100000210623 [0,1,0,0,0,0|2,1,0]=4 487 B11R1.1 C=CCSc1ncc(cn1)N 62a_100000210623_100000068403 [0,1,0,0,0,0|2,1,0]=4 488 B11R1.1 C=CCSc1ncc(cn1)O 62a_100000210623_100000092845 [0,1,0,0,0,0|2,1,0]=4 489 B11R1.1 C=CCSc1ncc(cn1)O 62a_100000730009_100000210623 [0,1,0,0,0,0|2,1,0]=4 490 B11R1.1 CC=NNc1ccc(cc1)Br 4a_100000735608_200000210099 [0,1,0,0,0,0|2,0,1]=4 491 B11R1.1 CC=NNc1ccc(cc1)C 4a_100000683527_200000210099 [0,1,0,0,0,0|2,0,1]=4 492 B11R1.1 CC=NNc1ccc(cc1)Cl 4a_100000683521_200000210099 [0,1,0,0,0,0|2,0,1]=4 493 B11R1.1 CC=NNc1ccc(cc1)F 4a_100000728448_200000210099 [0,1,0,0,0,0|2,0,1]=4 494 B11R1.1 CC=NNc1ccc(cc1)I 4a_100016988836_200000210099 [0,1,0,0,0,0|2,0,1]=4 495 B11R1.1 CCCCc1ccc(cc1)Br 271570a_100020621405_100000752885 [0,1,0,0,0,0|1,0,2]=4 496 B11R1.1 CCCCc1ccc(cc1)C 271570a_100020621405_100000186775 [0,1,0,0,0,0|1,0,2]=4 497 B11R1.1 CCCCc1ccc(cc1)Cl 271570a_100020621405_100000755918 [0,1,0,0,0,0|1,0,2]=4 498 B11R1.1 CCCCc1ccc(cc1)F 271570a_100020621405_100000211213 [0,1,0,0,0,0|1,0,2]=4 499 B11R1.1 CCCCc1ccc(cc1)N 271570a_100020621405_100000185761 [0,1,0,0,0,0|1,0,2]=4 500 B11R1.1 CCCCc1ccc(cc1)O 271570a_100020621405_100000185759 [0,1,0,0,0,0|1,0,2]=4 501 B11R1.1 CCCCc1ccc(cc1)O 271570a_203496583355_100011215597 [0,1,0,0,0,0|1,0,2]=4 502 B11R1.1 CCCNc1ccc(cc1)Br 2230a_100000210018_100000210303 [0,1,0,0,0,0|1,0,2]=4 503 B11R1.1 CCCNc1ccc(cc1)Br 34a_100000210018_100000210303 [0,1,0,0,0,0|1,0,2]=4 504 B11R1.1 CCCNc1ccc(cc1)C 34a_100000124888_100000210303 [0,1,0,0,0,0|1,0,2]=4 505 B11R1.1 CCCNc1ccc(cc1)Cl 2230a_100000210052_100000210303 [0,1,0,0,0,0|1,0,2]=4 506 B11R1.1 CCCNc1ccc(cc1)Cl 34a_100000210052_100000210303 [0,1,0,0,0,0|1,0,2]=4 507 B11R1.1 CCCNc1ccc(cc1)F 34a_100000185862_100000210303 [0,1,0,0,0,0|1,0,2]=4 508 B11R1.1 CCCNc1ccc(cc1)I 34a_100000185761_100000210303 [0,1,0,0,0,0|1,0,2]=4 509 B11R1.1 CCCNc1ccc(cc1)O 34a_100000185829_100000210303 [0,1,0,0,0,0|1,0,2]=4 510 B11R1.1 CCCOc1ccc(=O)[nH]c1 34a_100000075641_100000210303 [0,1,0,0,0,0|1,0,2]=4 511 B11R1.1 CCCOc1ccc(cc1)Br 34a_100000185759_100000210303 [0,1,0,0,0,0|0,0,2]=3 512 B11R1.1 CCCOc1ccc(cc1)Br 7a_100000185759_100000210303 [0,1,0,0,0,0|0,0,2]=3 513 B11R1.1 CCCOc1ccc(cc1)C 34a_100000210336_100000210303 [0,1,0,0,0,0|0,0,2]=3 514 B11R1.1 CCCOc1ccc(cc1)C 7a_100000210336_100000210303 [0,1,0,0,0,0|0,0,2]=3 515 B11R1.1 CCCOc1ccc(cc1)Cl 34a_100000210216_100000210303 [0,1,0,0,0,0|0,0,2]=3 516 B11R1.1 CCCOc1ccc(cc1)Cl 7a_100000210216_100000210303 [0,1,0,0,0,0|0,0,2]=3 517 B11R1.1 CCCOc1ccc(cc1)F 34a_100000210339_100000210303 [0,1,0,0,0,0|0,0,2]=3 518 B11R1.1 CCCOc1ccc(cc1)I 34a_100000212066_100000210303 [0,1,0,0,0,0|0,0,2]=3 519 B11R1.1 CCCOc1ccc(cc1)I 7a_100000212066_100000210303 [0,1,0,0,0,0|0,0,2]=3 520 B11R1.1 CCCOc1ccc(cc1)N 34a_100000185829_100000210303 [0,1,0,0,0,0|0,0,2]=3 521 B11R1.1 CCCOc1ccc(cc1)O 271570a_203496583355_100000169948 [0,1,0,0,0,0|0,0,2]=3 522 B11R1.1 CCCOc1ccc(cn1)C 34a_100000759353_100000210303 [0,1,0,0,0,0|1,0,2]=4 523 B11R1.1 CCCOc1ccc(cn1)Cl 34a_100011215309_100000210303 [0,1,0,0,0,0|1,0,2]=4 524 B11R1.1 CCCOc1ccc(cn1)F 34a_100000742473_100000210303 [0,1,0,0,0,0|1,0,2]=4 525 B11R1.1 CCCOc1ccc(cn1)N 34a_100000729260_100000210303 [0,1,0,0,0,0|1,0,2]=4 526 B11R1.1 CCCOc1ccc(cn1)O 271570a_203496583355_100011465619 [0,1,0,0,0,0|1,0,2]=4 527 B11R1.1 CCCOc1ccc(nc1)Br 34a_100000685995_100000210303 [0,1,0,0,0,0|1,0,2]=4 528 B11R1.1 CCCOc1ccc(nc1)Br 7a_100000685995_100000210303 [0,1,0,0,0,0|1,0,2]=4 529 B11R1.1 CCCOc1ccc(nc1)C 34a_100000745506_100000210303 [0,1,0,0,0,0|1,0,2]=4 530 B11R1.1 CCCOc1ccc(nc1)C 7a_100000745506_100000210303 [0,1,0,0,0,0|1,0,2]=4 531 B11R1.1 CCCOc1ccc(nc1)Cl 34a_100000744096_100000210303 [0,1,0,0,0,0|1,0,2]=4 532 B11R1.1 CCCOc1ccc(nc1)Cl 7a_100000744096_100000210303 [0,1,0,0,0,0|1,0,2]=4 533 B11R1.1 CCCOc1ccc(nc1)F 34a_100000688820_100000210303 [0,1,0,0,0,0|1,0,2]=4 534 B11R1.1 CCCOc1ccc(nc1)F 7a_100000688820_100000210303 [0,1,0,0,0,0|1,0,2]=4 535 B11R1.1 CCCOc1ccc(nc1)I 34a_100000687607_100000210303 [0,1,0,0,0,0|1,0,2]=4 536 B11R1.1 CCCOc1ccc(nc1)I 7a_100000687607_100000210303 [0,1,0,0,0,0|1,0,2]=4 537 B11R1.1 CCCOc1ccc(nc1)N 34a_100015188713_100000210303 [0,1,0,0,0,0|1,0,2]=4 538 B11R1.1 CCCOc1ccc(nc1)N 7a_100015188713_100000210303 [0,1,0,0,0,0|1,0,2]=4 539 B11R1.1 CCCOc1ccc(nc1)O 271570a_203496583355_100000719977 [0,1,0,0,0,0|1,0,2]=4 540 B11R1.1 CCCSc1ccc(cc1)Br 62a_100000210303_100000752885 [0,1,0,0,0,0|0,1,2]=4 541 B11R1.1 CCCSc1ccc(cc1)Br 62a_100000752885_100000210303 [0,1,0,0,0,0|0,1,2]=4 542 B11R1.1 CCCSc1ccc(cc1)C 62a_100000186775_100000210303 [0,1,0,0,0,0|0,1,2]=4 543 B11R1.1 CCCSc1ccc(cc1)C 62a_100000210303_100000186775 [0,1,0,0,0,0|0,1,2]=4 544 B11R1.1 CCCSc1ccc(cc1)Cl 62a_100000210303_100000755918 [0,1,0,0,0,0|0,1,2]=4 545 B11R1.1 CCCSc1ccc(cc1)Cl 62a_100000755918_100000210303 [0,1,0,0,0,0|0,1,2]=4 546 B11R1.1 CCCSc1ccc(cc1)F 62a_100000210303_100000211213 [0,1,0,0,0,0|0,1,2]=4 547 B11R1.1 CCCSc1ccc(cc1)F 62a_100000211213_100000210303 [0,1,0,0,0,0|0,1,2]=4 548 B11R1.1 CCCSc1ccc(cc1)N 62a_100000185761_100000210303 [0,1,0,0,0,0|0,1,2]=4 549 B11R1.1 CCCSc1ccc(cc1)N 62a_100000210303_100000185761 [0,1,0,0,0,0|0,1,2]=4 550 B11R1.1 CCCSc1ccc(cc1)O 271570a_203496583355_200009811899 [0,1,0,0,0,0|0,1,2]=4 551 B11R1.1 CCCSc1ccc(cc1)O 62a_100000210303_100000185759 [0,1,0,0,0,0|0,1,2]=4 552 B11R1.1 CNCCc1ccc(cc1)Br 2230a_100000755846_200000210301 [0,1,0,0,0,0|2,0,1]=4 553 B11R1.1 CNCCc1ccc(cc1)Br 2230a_106832991635_100011740612 [0,1,0,0,0,0|2,0,1]=4 554 B11R1.1 CNCCc1ccc(cc1)Br 34a_100000755846_200000210301 [0,1,0,0,0,0|2,0,1]=4 555 B11R1.1 CNCCc1ccc(cc1)Br 34a_100102657272_100011740612 [0,1,0,0,0,0|2,0,1]=4 556 B11R1.1 CNCCc1ccc(cc1)Br 7a_106832991635_100011740612 [0,1,0,0,0,0|2,0,1]=4 557 B11R1.1 CNCCc1ccc(cc1)C 2230a_100000705350_200000210301 [0,1,0,0,0,0|2,0,1]=4 558 B11R1.1 CNCCc1ccc(cc1)C 2230a_106832991635_100011713686 [0,1,0,0,0,0|2,0,1]=4 559 B11R1.1 CNCCc1ccc(cc1)C 34a_100000705350_200000210301 [0,1,0,0,0,0|2,0,1]=4 560 B11R1.1 CNCCc1ccc(cc1)C 34a_100102657272_100011713686 [0,1,0,0,0,0|2,0,1]=4 561 B11R1.1 CNCCc1ccc(cc1)C 7a_106832991635_100011713686 [0,1,0,0,0,0|2,0,1]=4 562 B11R1.1 CNCCc1ccc(cc1)Cl 2230a_100000185265_200000210301 [0,1,0,0,0,0|2,0,1]=4 563 B11R1.1 CNCCc1ccc(cc1)Cl 2230a_106832991635_100011713675 [0,1,0,0,0,0|2,0,1]=4 564 B11R1.1 CNCCc1ccc(cc1)Cl 34a_100000185265_200000210301 [0,1,0,0,0,0|2,0,1]=4 565 B11R1.1 CNCCc1ccc(cc1)Cl 34a_100102657272_100011713675 [0,1,0,0,0,0|2,0,1]=4 566 B11R1.1 CNCCc1ccc(cc1)Cl 7a_106832991635_100011713675 [0,1,0,0,0,0|2,0,1]=4 567 B11R1.1 CNCCc1ccc(cc1)F 2230a_100000199005_200000210301 [0,1,0,0,0,0|2,0,1]=4 568 B11R1.1 CNCCc1ccc(cc1)F 2230a_106832991635_100011217392 [0,1,0,0,0,0|2,0,1]=4 569 B11R1.1 CNCCc1ccc(cc1)F 34a_100000199005_200000210301 [0,1,0,0,0,0|2,0,1]=4 570 B11R1.1 CNCCc1ccc(cc1)F 34a_100102657272_100011217392 [0,1,0,0,0,0|2,0,1]=4 571 B11R1.1 CNCCc1ccc(cc1)F 7a_106832991635_100011217392 [0,1,0,0,0,0|2,0,1]=4 572 B11R1.1 CNCCc1ccc(cc1)O 2230a_106832991635_100009816426 [0,1,0,0,0,0|2,0,1]=4 573 B11R1.1 CNCCc1ccc(cc1)O 271570a_203496583355_100000752880 [0,1,0,0,0,0|2,0,1]=4 574 B11R1.1 CNCCc1ccc(cc1)O 34a_100000743037_200000210301 [0,1,0,0,0,0|2,0,1]=4 575 B11R1.1 CNCCc1ccc(cc1)O 7a_106832991635_100009816426 [0,1,0,0,0,0|2,0,1]=4 576 B11R1.1 COCCc1ccc(cc1)Br 34a_100000766406_200000210301 [0,1,0,0,0,0|2,0,1]=4 577 B11R1.1 COCCc1ccc(cc1)Br 34a_100138415774_100011740612 [0,1,0,0,0,0|2,0,1]=4 578 B11R1.1 COCCc1ccc(cc1)Br 7a_100000766406_200000210301 [0,1,0,0,0,0|2,0,1]=4 579 B11R1.1 COCCc1ccc(cc1)C 34a_100000756670_200000210301 [0,1,0,0,0,0|2,0,1]=4 580 B11R1.1 COCCc1ccc(cc1)C 34a_100138415774_100011713686 [0,1,0,0,0,0|2,0,1]=4 581 B11R1.1 COCCc1ccc(cc1)C 7a_100000756670_200000210301 [0,1,0,0,0,0|2,0,1]=4 582 B11R1.1 COCCc1ccc(cc1)Cl 34a_100011219627_200000210301 [0,1,0,0,0,0|2,0,1]=4 583 B11R1.1 COCCc1ccc(cc1)Cl 34a_100138415774_100011713675 [0,1,0,0,0,0|2,0,1]=4 584 B11R1.1 COCCc1ccc(cc1)Cl 7a_100011219627_200000210301 [0,1,0,0,0,0|2,0,1]=4 585 B11R1.1 COCCc1ccc(cc1)F 34a_100000754732_200000210301 [0,1,0,0,0,0|2,0,1]=4 586 B11R1.1 COCCc1ccc(cc1)F 34a_100138415774_100011217392 [0,1,0,0,0,0|2,0,1]=4 587 B11R1.1 COCCc1ccc(cc1)F 7a_100000754732_200000210301 [0,1,0,0,0,0|2,0,1]=4 588 B11R1.1 COCCc1ccc(cc1)I 34a_100012291149_200000210301 [0,1,0,0,0,0|2,0,1]=4 589 B11R1.1 COCCc1ccc(cc1)I 7a_100012291149_200000210301 [0,1,0,0,0,0|2,0,1]=4 590 B11R1.1 COCCc1ccc(cc1)N 34a_100011204434_200000210301 [0,1,0,0,0,0|2,0,1]=4 591 B11R1.1 COCCc1ccc(cc1)O 271570a_203496583355_100000739703 [0,1,0,0,0,0|2,0,1]=4 592 B11R1.1 COCNc1ccc(cc1)Br 2230a_100000210018_100000766300 [0,1,0,0,0,0|2,0,1]=4 593 B11R1.1 COCNc1ccc(cc1)Cl 2230a_100000210052_100000766300 [0,1,0,0,0,0|2,0,1]=4 594 B11R1.1 COCOc1ccc(cc1)O 271570a_203496583355_100012265687 [0,1,0,0,0,0|1,0,1]=3 595 B11R1.1 COCOc1ccc(nc1)O 271570a_203496583355_100012568617 [0,1,0,0,0,0|2,0,1]=4 596 B11R1.1 COCSc1ccc(cc1)Br 62a_100000752885_100000766300 [0,1,0,0,0,0|1,1,1]=4 597 B11R1.1 COCSc1ccc(cc1)Br 62a_100000766300_100000752885 [0,1,0,0,0,0|1,1,1]=4 598 B11R1.1 COCSc1ccc(cc1)C 62a_100000186775_100000766300 [0,1,0,0,0,0|1,1,1]=4 599 B11R1.1 COCSc1ccc(cc1)C 62a_100000766300_100000186775 [0,1,0,0,0,0|1,1,1]=4 600 B11R1.1 COCSc1ccc(cc1)Cl 62a_100000755918_100000766300 [0,1,0,0,0,0|1,1,1]=4 601 B11R1.1 COCSc1ccc(cc1)Cl 62a_100000766300_100000755918 [0,1,0,0,0,0|1,1,1]=4 602 B11R1.1 COCSc1ccc(cc1)F 62a_100000211213_100000766300 [0,1,0,0,0,0|1,1,1]=4 603 B11R1.1 COCSc1ccc(cc1)F 62a_100000766300_100000211213 [0,1,0,0,0,0|1,1,1]=4 604 B11R1.1 COCSc1ccc(cc1)N 62a_100000185761_100000766300 [0,1,0,0,0,0|1,1,1]=4 605 B11R1.1 COCSc1ccc(cc1)N 62a_100000766300_100000185761 [0,1,0,0,0,0|1,1,1]=4 606 B11R1.1 COCSc1ccc(cc1)O 62a_100000766300_100000185759 [0,1,0,0,0,0|1,1,1]=4 607 B11R1.1 CSCCc1ccc(cc1)Br 62a_100011740612_200000210301 [0,1,0,0,0,0|2,0,1]=4 608 B11R1.1 CSCCc1ccc(cc1)Br 62a_200000210301_100011740612 [0,1,0,0,0,0|2,0,1]=4 609 B11R1.1 CSCCc1ccc(cc1)C 62a_100011713686_200000210301 [0,1,0,0,0,0|2,0,1]=4 610 B11R1.1 CSCCc1ccc(cc1)C 62a_200000210301_100011713686 [0,1,0,0,0,0|2,0,1]=4 611 B11R1.1 CSCCc1ccc(cc1)Cl 62a_100011713675_200000210301 [0,1,0,0,0,0|2,0,1]=4 612 B11R1.1 CSCCc1ccc(cc1)Cl 62a_200000210301_100011713675 [0,1,0,0,0,0|2,0,1]=4 613 B11R1.1 CSCCc1ccc(cc1)F 62a_100011217392_200000210301 [0,1,0,0,0,0|2,0,1]=4 614 B11R1.1 CSCCc1ccc(cc1)F 62a_200000210301_100011217392 [0,1,0,0,0,0|2,0,1]=4 615 B11R1.1 CSCCc1ccc(cc1)O 62a_100009816426_200000210301 [0,1,0,0,0,0|2,0,1]=4 616 B11R1.1 CSCCc1ccc(cc1)O 62a_200000210301_100009816426 [0,1,0,0,0,0|2,0,1]=4 617 B11R1.1 CSCNc1ccc(cc1)Br 2230a_100000210018_100011218213 [0,1,0,0,0,0|2,0,1]=4 618 B11R1.1 CSCNc1ccc(cc1)Br 34a_100000210018_100011218213 [0,1,0,0,0,0|2,0,1]=4 619 B11R1.1 CSCNc1ccc(cc1)C 34a_100000124888_100011218213 [0,1,0,0,0,0|2,0,1]=4 620 B11R1.1 CSCNc1ccc(cc1)Cl 2230a_100000210052_100011218213 [0,1,0,0,0,0|2,0,1]=4 621 B11R1.1 CSCNc1ccc(cc1)Cl 34a_100000210052_100011218213 [0,1,0,0,0,0|2,0,1]=4 622 B11R1.1 CSCNc1ccc(cc1)F 34a_100000185862_100011218213 [0,1,0,0,0,0|2,0,1]=4 623 B11R1.1 CSCNc1ccc(cc1)I 34a_100000185761_100011218213 [0,1,0,0,0,0|2,0,1]=4 624 B11R1.1 CSCNc1ccc(cc1)O 34a_100000185829_100011218213 [0,1,0,0,0,0|2,0,1]=4 625 B11R1.1 CSCOc1ccc(=O)[nH]c1 34a_100000075641_100011218213 [0,1,0,0,0,0|2,0,1]=4 626 B11R1.1 CSCOc1ccc(cc1)Br 34a_100000185759_100011218213 [0,1,0,0,0,0|1,0,1]=3 627 B11R1.1 CSCOc1ccc(cc1)C 34a_100000210336_100011218213 [0,1,0,0,0,0|1,0,1]=3 628 B11R1.1 CSCOc1ccc(cc1)Cl 34a_100000210216_100011218213 [0,1,0,0,0,0|1,0,1]=3 629 B11R1.1 CSCOc1ccc(cc1)F 34a_100000210339_100011218213 [0,1,0,0,0,0|1,0,1]=3 630 B11R1.1 CSCOc1ccc(cc1)I 34a_100000212066_100011218213 [0,1,0,0,0,0|1,0,1]=3 631 B11R1.1 CSCOc1ccc(cc1)N 34a_100000185829_100011218213 [0,1,0,0,0,0|1,0,1]=3 632 B11R1.1 CSCOc1ccc(cn1)C 34a_100000759353_100011218213 [0,1,0,0,0,0|2,0,1]=4 633 B11R1.1 CSCOc1ccc(cn1)Cl 34a_100011215309_100011218213 [0,1,0,0,0,0|2,0,1]=4 634 B11R1.1 CSCOc1ccc(cn1)F 34a_100000742473_100011218213 [0,1,0,0,0,0|2,0,1]=4 635 B11R1.1 CSCOc1ccc(cn1)N 34a_100000729260_100011218213 [0,1,0,0,0,0|2,0,1]=4 636 B11R1.1 CSCOc1ccc(nc1)Br 34a_100000685995_100011218213 [0,1,0,0,0,0|2,0,1]=4 637 B11R1.1 CSCOc1ccc(nc1)C 34a_100000745506_100011218213 [0,1,0,0,0,0|2,0,1]=4 638 B11R1.1 CSCOc1ccc(nc1)Cl 34a_100000744096_100011218213 [0,1,0,0,0,0|2,0,1]=4 639 B11R1.1 CSCOc1ccc(nc1)F 34a_100000688820_100011218213 [0,1,0,0,0,0|2,0,1]=4 640 B11R1.1 CSCOc1ccc(nc1)I 34a_100000687607_100011218213 [0,1,0,0,0,0|2,0,1]=4 641 B11R1.1 CSCOc1ccc(nc1)N 34a_100015188713_100011218213 [0,1,0,0,0,0|2,0,1]=4 642 B11R1.1 CSCSc1ccc(cc1)Br 62a_100000752885_100011218213 [0,1,0,0,0,0|1,1,1]=4 643 B11R1.1 CSCSc1ccc(cc1)Br 62a_100011218213_100000752885 [0,1,0,0,0,0|1,1,1]=4 644 B11R1.1 CSCSc1ccc(cc1)C 62a_100000186775_100011218213 [0,1,0,0,0,0|1,1,1]=4 645 B11R1.1 CSCSc1ccc(cc1)C 62a_100011218213_100000186775 [0,1,0,0,0,0|1,1,1]=4 646 B11R1.1 CSCSc1ccc(cc1)Cl 62a_100000755918_100011218213 [0,1,0,0,0,0|1,1,1]=4 647 B11R1.1 CSCSc1ccc(cc1)Cl 62a_100011218213_100000755918 [0,1,0,0,0,0|1,1,1]=4 648 B11R1.1 CSCSc1ccc(cc1)F 62a_100000211213_100011218213 [0,1,0,0,0,0|1,1,1]=4 649 B11R1.1 CSCSc1ccc(cc1)F 62a_100011218213_100000211213 [0,1,0,0,0,0|1,1,1]=4 650 B11R1.1 CSCSc1ccc(cc1)N 62a_100000185761_100011218213 [0,1,0,0,0,0|1,1,1]=4 651 B11R1.1 CSCSc1ccc(cc1)N 62a_100011218213_100000185761 [0,1,0,0,0,0|1,1,1]=4 652 B11R1.1 CSCSc1ccc(cc1)O 62a_100011218213_100000185759 [0,1,0,0,0,0|1,1,1]=4 653 B11R1.1 Cc1ccc(cc1)CCN[13CH3] 2230a_100000705350_200025704644 [0,1,0,0,0,0|2,0,1]=4 654 B11R1.1 Cc1ccc(cc1)CCN[13CH3] 34a_100000705350_200025704644 [0,1,0,0,0,0|2,0,1]=4 655 B11R1.1 Cc1ccc(cc1)CCO[13CH3] 34a_100000756670_200025704644 [0,1,0,0,0,0|2,0,1]=4 656 B11R1.1 Cc1ccc(cc1)CCO[13CH3] 7a_100000756670_200025704644 [0,1,0,0,0,0|2,0,1]=4 657 B11R1.1 Cc1ccc(cc1)CCS[13CH3] 62a_100011713686_200025704644 [0,1,0,0,0,0|2,0,1]=4 658 B11R1.1 Cc1ccc(cc1)CCS[13CH3] 62a_200025704644_100011713686 [0,1,0,0,0,0|2,0,1]=4 659 B11R1.1 Cc1ccc(cc1)NCC=O 34a_100000124888_200009817547 [0,1,0,0,0,0|2,0,0]=3 660 B11R1.1 Cc1ccc(cc1)NCCF 34a_100000124888_100011217306 [0,1,0,0,0,0|2,0,1]=4 661 B11R1.1 Cc1ccc(cc1)NCCO 34a_100000124888_100000211926 [0,1,0,0,0,0|2,0,1]=4 662 B11R1.1 Cc1ccc(cc1)OCC#N 7a_100000210336_100011215382 [0,1,0,0,0,0|1,0,1]=3 663 B11R1.1 Cc1ccc(cc1)OCC=O 34a_100000210336_200009817547 [0,1,0,0,0,0|1,0,0]=2 664 B11R1.1 Cc1ccc(cc1)OCC=O 7a_100000210336_200015260668 [0,1,0,0,0,0|1,0,0]=2 665 B11R1.1 Cc1ccc(cc1)OCCF 34a_100000210336_100011217306 [0,1,0,0,0,0|1,0,1]=3 666 B11R1.1 Cc1ccc(cc1)OCCF 7a_100000210336_100011217306 [0,1,0,0,0,0|1,0,1]=3 667 B11R1.1 Cc1ccc(cc1)OCCO 34a_100000210336_100000211926 [0,1,0,0,0,0|1,0,1]=3 668 B11R1.1 Cc1ccc(cc1)OCCO 7a_100000210336_100000211926 [0,1,0,0,0,0|1,0,1]=3 669 B11R1.1 Cc1ccc(cc1)SCC#N 62a_100000186775_100011215382 [0,1,0,0,0,0|1,1,1]=4 670 B11R1.1 Cc1ccc(cc1)SCC#N 62a_100011215382_100000186775 [0,1,0,0,0,0|1,1,1]=4 671 B11R1.1 Cc1ccc(cc1)SCC=O 62a_100000186775_200015260668 [0,1,0,0,0,0|1,1,0]=3 672 B11R1.1 Cc1ccc(cc1)SCC=O 62a_200015260668_100000186775 [0,1,0,0,0,0|1,1,0]=3 673 B11R1.1 Cc1ccc(cc1)SCCF 62a_100000186775_100011217306 [0,1,0,0,0,0|1,1,1]=4 674 B11R1.1 Cc1ccc(cc1)SCCF 62a_100011217306_100000186775 [0,1,0,0,0,0|1,1,1]=4 675 B11R1.1 Cc1ccc(cc1)SCCO 62a_100000186775_100000211926 [0,1,0,0,0,0|1,1,1]=4 676 B11R1.1 Cc1ccc(cc1)SCCO 62a_100000211926_100000186775 [0,1,0,0,0,0|1,1,1]=4 677 B11R1.1 Cc1ccc(cn1)OCC#N 7a_100000745506_100011215382 [0,1,0,0,0,0|2,0,1]=4 678 B11R1.1 Cc1ccc(cn1)OCC=O 34a_100000745506_200009817547 [0,1,0,0,0,0|2,0,0]=3 679 B11R1.1 Cc1ccc(cn1)OCC=O 7a_100000745506_200015260668 [0,1,0,0,0,0|2,0,0]=3 680 B11R1.1 Cc1ccc(cn1)OCCF 34a_100000745506_100011217306 [0,1,0,0,0,0|2,0,1]=4 681 B11R1.1 Cc1ccc(cn1)OCCF 7a_100000745506_100011217306 [0,1,0,0,0,0|2,0,1]=4 682 B11R1.1 Cc1ccc(cn1)OCCO 34a_100000745506_100000211926 [0,1,0,0,0,0|2,0,1]=4 683 B11R1.1 Cc1ccc(cn1)OCCO 7a_100000745506_100000211926 [0,1,0,0,0,0|2,0,1]=4 684 B11R1.1 Cc1ccc(cn1)SCC=O 62a_100000751577_200015260668 [0,1,0,0,0,0|2,1,0]=4 685 B11R1.1 Cc1ccc(cn1)SCC=O 62a_200015260668_100000751577 [0,1,0,0,0,0|2,1,0]=4 686 B11R1.1 Cc1ccc(nc1)OCC=O 34a_100000759353_200009817547 [0,1,0,0,0,0|2,0,0]=3 687 B11R1.1 Cc1ccc(nc1)OCCF 34a_100000759353_100011217306 [0,1,0,0,0,0|2,0,1]=4 688 B11R1.1 Cc1ccc(nc1)OCCO 34a_100000759353_100000211926 [0,1,0,0,0,0|2,0,1]=4 689 B11R1.1 Cc1ccc(nc1)SCC=O 62a_100011192072_200015260668 [0,1,0,0,0,0|2,1,0]=4 690 B11R1.1 Cc1ccc(nc1)SCC=O 62a_200015260668_100000754016 [0,1,0,0,0,0|2,1,0]=4 691 B11R1.1 Cc1ncc(cn1)OCC=O 34a_100000062939_200009817547 [0,1,0,0,0,0|3,0,0]=4 692 B11R1.1 Cc1ncc(cn1)OCC=O 7a_100000062939_200015260668 [0,1,0,0,0,0|3,0,0]=4 693 B11R1.1 FCCNc1ccc(cc1)Br 2230a_100000210018_100011217306 [0,1,0,0,0,0|2,0,1]=4 694 B11R1.1 FCCNc1ccc(cc1)Br 34a_100000210018_100011217306 [0,1,0,0,0,0|2,0,1]=4 695 B11R1.1 FCCNc1ccc(cc1)Cl 2230a_100000210052_100011217306 [0,1,0,0,0,0|2,0,1]=4 696 B11R1.1 FCCNc1ccc(cc1)Cl 34a_100000210052_100011217306 [0,1,0,0,0,0|2,0,1]=4 697 B11R1.1 FCCNc1ccc(cc1)F 34a_100000185862_100011217306 [0,1,0,0,0,0|2,0,1]=4 698 B11R1.1 FCCNc1ccc(cc1)I 34a_100000185761_100011217306 [0,1,0,0,0,0|2,0,1]=4 699 B11R1.1 FCCOc1ccc(cc1)Br 34a_100000185759_100011217306 [0,1,0,0,0,0|1,0,1]=3 700 B11R1.1 FCCOc1ccc(cc1)Br 7a_100000185759_100011217306 [0,1,0,0,0,0|1,0,1]=3 701 B11R1.1 FCCOc1ccc(cc1)Cl 34a_100000210216_100011217306 [0,1,0,0,0,0|1,0,1]=3 702 B11R1.1 FCCOc1ccc(cc1)Cl 7a_100000210216_100011217306 [0,1,0,0,0,0|1,0,1]=3 703 B11R1.1 FCCOc1ccc(cc1)F 34a_100000210339_100011217306 [0,1,0,0,0,0|1,0,1]=3 704 B11R1.1 FCCOc1ccc(cc1)I 34a_100000212066_100011217306 [0,1,0,0,0,0|1,0,1]=3 705 B11R1.1 FCCOc1ccc(cc1)I 7a_100000212066_100011217306 [0,1,0,0,0,0|1,0,1]=3 706 B11R1.1 FCCOc1ccc(cn1)Cl 34a_100011215309_100011217306 [0,1,0,0,0,0|2,0,1]=4 707 B11R1.1 FCCOc1ccc(cn1)F 34a_100000742473_100011217306 [0,1,0,0,0,0|2,0,1]=4 708 B11R1.1 FCCOc1ccc(nc1)Br 34a_100000685995_100011217306 [0,1,0,0,0,0|2,0,1]=4 709 B11R1.1 FCCOc1ccc(nc1)Br 7a_100000685995_100011217306 [0,1,0,0,0,0|2,0,1]=4 710 B11R1.1 FCCOc1ccc(nc1)Cl 34a_100000744096_100011217306 [0,1,0,0,0,0|2,0,1]=4 711 B11R1.1 FCCOc1ccc(nc1)Cl 7a_100000744096_100011217306 [0,1,0,0,0,0|2,0,1]=4 712 B11R1.1 FCCOc1ccc(nc1)F 34a_100000688820_100011217306 [0,1,0,0,0,0|2,0,1]=4 713 B11R1.1 FCCOc1ccc(nc1)F 7a_100000688820_100011217306 [0,1,0,0,0,0|2,0,1]=4 714 B11R1.1 FCCOc1ccc(nc1)I 34a_100000687607_100011217306 [0,1,0,0,0,0|2,0,1]=4 715 B11R1.1 FCCOc1ccc(nc1)I 7a_100000687607_100011217306 [0,1,0,0,0,0|2,0,1]=4 716 B11R1.1 FCCSc1ccc(cc1)Br 62a_100000752885_100011217306 [0,1,0,0,0,0|1,1,1]=4 717 B11R1.1 FCCSc1ccc(cc1)Br 62a_100011217306_100000752885 [0,1,0,0,0,0|1,1,1]=4 718 B11R1.1 FCCSc1ccc(cc1)Cl 62a_100000755918_100011217306 [0,1,0,0,0,0|1,1,1]=4 719 B11R1.1 FCCSc1ccc(cc1)Cl 62a_100011217306_100000755918 [0,1,0,0,0,0|1,1,1]=4 720 B11R1.1 FCCSc1ccc(cc1)F 62a_100000211213_100011217306 [0,1,0,0,0,0|1,1,1]=4 721 B11R1.1 FCCSc1ccc(cc1)F 62a_100011217306_100000211213 [0,1,0,0,0,0|1,1,1]=4 722 B11R1.1 N#CCCc1ccc(cc1)O 271570a_203496583355_100011216407 [0,1,0,0,0,0|2,0,1]=4 723 B11R1.1 N#CCNc1ccc(cc1)Br 2230a_100000210018_100011215382 [0,1,0,0,0,0|2,0,1]=4 724 B11R1.1 N#CCNc1ccc(cc1)Cl 2230a_100000210052_100011215382 [0,1,0,0,0,0|2,0,1]=4 725 B11R1.1 N#CCOc1ccc(cc1)Br 7a_100000185759_100011215382 [0,1,0,0,0,0|1,0,1]=3 726 B11R1.1 N#CCOc1ccc(cc1)Cl 7a_100000210216_100011215382 [0,1,0,0,0,0|1,0,1]=3 727 B11R1.1 N#CCOc1ccc(cc1)I 7a_100000212066_100011215382 [0,1,0,0,0,0|1,0,1]=3 728 B11R1.1 N#CCOc1ccc(cc1)O 271570a_203496583355_200000169425 [0,1,0,0,0,0|1,0,1]=3 729 B11R1.1 N#CCOc1ccc(nc1)Br 7a_100000685995_100011215382 [0,1,0,0,0,0|2,0,1]=4 730 B11R1.1 N#CCOc1ccc(nc1)Cl 7a_100000744096_100011215382 [0,1,0,0,0,0|2,0,1]=4 731 B11R1.1 N#CCOc1ccc(nc1)F 7a_100000688820_100011215382 [0,1,0,0,0,0|2,0,1]=4 732 B11R1.1 N#CCOc1ccc(nc1)I 7a_100000687607_100011215382 [0,1,0,0,0,0|2,0,1]=4 733 B11R1.1 N#CCOc1ccc(nc1)N 7a_100015188713_100011215382 [0,1,0,0,0,0|2,0,1]=4 734 B11R1.1 N#CCSc1ccc(cc1)Br 62a_100000752885_100011215382 [0,1,0,0,0,0|1,1,1]=4 735 B11R1.1 N#CCSc1ccc(cc1)Br 62a_100011215382_100000752885 [0,1,0,0,0,0|1,1,1]=4 736 B11R1.1 N#CCSc1ccc(cc1)Cl 62a_100000755918_100011215382 [0,1,0,0,0,0|1,1,1]=4 737 B11R1.1 N#CCSc1ccc(cc1)Cl 62a_100011215382_100000755918 [0,1,0,0,0,0|1,1,1]=4 738 B11R1.1 N#CCSc1ccc(cc1)F 62a_100000211213_100011215382 [0,1,0,0,0,0|1,1,1]=4 739 B11R1.1 N#CCSc1ccc(cc1)F 62a_100011215382_100000211213 [0,1,0,0,0,0|1,1,1]=4 740 B11R1.1 N#CCSc1ccc(cc1)N 62a_100000185761_100011215382 [0,1,0,0,0,0|1,1,1]=4 741 B11R1.1 N#CCSc1ccc(cc1)N 62a_100011215382_100000185761 [0,1,0,0,0,0|1,1,1]=4 742 B11R1.1 N#CCSc1ccc(cc1)O 62a_100011215382_100000185759 [0,1,0,0,0,0|1,1,1]=4 743 B11R1.1 NCCCc1ccc(cc1)O 271570a_203496583355_100011297623 [0,1,0,0,0,0|2,0,1]=4 744 B11R1.1 NCCOc1ccc(cc1)O 271570a_203496583355_100000746992 [0,1,0,0,0,0|1,0,1]=3 745 B11R1.1 NCCSc1ccc(cc1)O 271570a_203496583355_100000184645 [0,1,0,0,0,0|1,1,1]=4 746 B11R1.1 Nc1ccc(cc1)OCC=O 34a_100000185829_200009817547 [0,1,0,0,0,0|1,0,0]=2 747 B11R1.1 Nc1ccc(cc1)OCCF 34a_100000185829_100011217306 [0,1,0,0,0,0|1,0,1]=3 748 B11R1.1 Nc1ccc(cc1)OCCO 34a_100000185829_100000211926 [0,1,0,0,0,0|1,0,1]=3 749 B11R1.1 Nc1ccc(cc1)SCC=O 62a_100000185761_200015260668 [0,1,0,0,0,0|1,1,0]=3 750 B11R1.1 Nc1ccc(cc1)SCC=O 62a_200015260668_100000185761 [0,1,0,0,0,0|1,1,0]=3 751 B11R1.1 Nc1ccc(cc1)SCCF 62a_100000185761_100011217306 [0,1,0,0,0,0|1,1,1]=4 752 B11R1.1 Nc1ccc(cc1)SCCF 62a_100011217306_100000185761 [0,1,0,0,0,0|1,1,1]=4 753 B11R1.1 Nc1ccc(cc1)SCCO 62a_100000185761_100000211926 [0,1,0,0,0,0|1,1,1]=4 754 B11R1.1 Nc1ccc(cc1)SCCO 62a_100000211926_100000185761 [0,1,0,0,0,0|1,1,1]=4 755 B11R1.1 Nc1ccc(cn1)OCC=O 34a_100015188713_200009817547 [0,1,0,0,0,0|2,0,0]=3 756 B11R1.1 Nc1ccc(cn1)OCC=O 7a_100015188713_200015260668 [0,1,0,0,0,0|2,0,0]=3 757 B11R1.1 Nc1ccc(cn1)OCCF 34a_100015188713_100011217306 [0,1,0,0,0,0|2,0,1]=4 758 B11R1.1 Nc1ccc(cn1)OCCF 7a_100015188713_100011217306 [0,1,0,0,0,0|2,0,1]=4 759 B11R1.1 Nc1ccc(cn1)OCCO 34a_100015188713_100000211926 [0,1,0,0,0,0|2,0,1]=4 760 B11R1.1 Nc1ccc(cn1)OCCO 7a_100015188713_100000211926 [0,1,0,0,0,0|2,0,1]=4 761 B11R1.1 Nc1ccc(cn1)SCC=O 62a_100000187370_200015260668 [0,1,0,0,0,0|2,1,0]=4 762 B11R1.1 Nc1ccc(cn1)SCC=O 62a_200015260668_100000187370 [0,1,0,0,0,0|2,1,0]=4 763 B11R1.1 Nc1ccc(nc1)OCC=O 34a_100000729260_200009817547 [0,1,0,0,0,0|2,0,0]=3 764 B11R1.1 Nc1ccc(nc1)OCCF 34a_100000729260_100011217306 [0,1,0,0,0,0|2,0,1]=4 765 B11R1.1 Nc1ccc(nc1)OCCO 34a_100000729260_100000211926 [0,1,0,0,0,0|2,0,1]=4 766 B11R1.1 Nc1ccc(nc1)SCC=O 62a_100000737798_200015260668 [0,1,0,0,0,0|2,1,0]=4 767 B11R1.1 Nc1ccc(nc1)SCC=O 62a_200015260668_100000737798 [0,1,0,0,0,0|2,1,0]=4 768 B11R1.1 Nc1ncc(cn1)OCC=O 34a_100000087137_200009817547 [0,1,0,0,0,0|3,0,0]=4 769 B11R1.1 Nc1ncc(cn1)OCC=O 7a_100000087137_200015260668 [0,1,0,0,0,0|3,0,0]=4 770 B11R1.1 O=CCCc1ccc(cc1)O 271570a_203496583355_100011361538 [0,1,0,0,0,0|2,0,0]=3 771 B11R1.1 O=CCNc1ccc(cc1)Br 2230a_100000210018_200015260668 [0,1,0,0,0,0|2,0,0]=3 772 B11R1.1 O=CCNc1ccc(cc1)Br 34a_100000210018_200009817547 [0,1,0,0,0,0|2,0,0]=3 773 B11R1.1 O=CCNc1ccc(cc1)Cl 2230a_100000210052_200015260668 [0,1,0,0,0,0|2,0,0]=3 774 B11R1.1 O=CCNc1ccc(cc1)Cl 34a_100000210052_200009817547 [0,1,0,0,0,0|2,0,0]=3 775 B11R1.1 O=CCNc1ccc(cc1)F 34a_100000185862_200009817547 [0,1,0,0,0,0|2,0,0]=3 776 B11R1.1 O=CCNc1ccc(cc1)I 34a_100000185761_200009817547 [0,1,0,0,0,0|2,0,0]=3 777 B11R1.1 O=CCNc1ccc(cc1)O 34a_100000185829_200009817547 [0,1,0,0,0,0|2,0,0]=3 778 B11R1.1 O=CCOc1ccc(=O)[nH]c1 34a_100000075641_200009817547 [0,1,0,0,0,0|2,0,0]=3 779 B11R1.1 O=CCOc1ccc(cc1)Br 34a_100000185759_200009817547 [0,1,0,0,0,0|1,0,0]=2 780 B11R1.1 O=CCOc1ccc(cc1)Br 7a_100000185759_200015260668 [0,1,0,0,0,0|1,0,0]=2 781 B11R1.1 O=CCOc1ccc(cc1)Cl 34a_100000210216_200009817547 [0,1,0,0,0,0|1,0,0]=2 782 B11R1.1 O=CCOc1ccc(cc1)Cl 7a_100000210216_200015260668 [0,1,0,0,0,0|1,0,0]=2 783 B11R1.1 O=CCOc1ccc(cc1)F 34a_100000210339_200009817547 [0,1,0,0,0,0|1,0,0]=2 784 B11R1.1 O=CCOc1ccc(cc1)I 34a_100000212066_200009817547 [0,1,0,0,0,0|1,0,0]=2 785 B11R1.1 O=CCOc1ccc(cc1)I 7a_100000212066_200015260668 [0,1,0,0,0,0|1,0,0]=2 786 B11R1.1 O=CCOc1ccc(cn1)Cl 34a_100011215309_200009817547 [0,1,0,0,0,0|2,0,0]=3 787 B11R1.1 O=CCOc1ccc(cn1)F 34a_100000742473_200009817547 [0,1,0,0,0,0|2,0,0]=3 788 B11R1.1 O=CCOc1ccc(nc1)Br 34a_100000685995_200009817547 [0,1,0,0,0,0|2,0,0]=3 789 B11R1.1 O=CCOc1ccc(nc1)Br 7a_100000685995_200015260668 [0,1,0,0,0,0|2,0,0]=3 790 B11R1.1 O=CCOc1ccc(nc1)Cl 34a_100000744096_200009817547 [0,1,0,0,0,0|2,0,0]=3 791 B11R1.1 O=CCOc1ccc(nc1)Cl 7a_100000744096_200015260668 [0,1,0,0,0,0|2,0,0]=3 792 B11R1.1 O=CCOc1ccc(nc1)F 34a_100000688820_200009817547 [0,1,0,0,0,0|2,0,0]=3 793 B11R1.1 O=CCOc1ccc(nc1)F 7a_100000688820_200015260668 [0,1,0,0,0,0|2,0,0]=3 794 B11R1.1 O=CCOc1ccc(nc1)I 34a_100000687607_200009817547 [0,1,0,0,0,0|2,0,0]=3 795 B11R1.1 O=CCOc1ccc(nc1)I 7a_100000687607_200015260668 [0,1,0,0,0,0|2,0,0]=3 796 B11R1.1 O=CCOc1cnc(cn1)Br 34a_100011934580_200009817547 [0,1,0,0,0,0|3,0,0]=4 797 B11R1.1 O=CCOc1cnc(cn1)Cl 34a_100015839800_200009817547 [0,1,0,0,0,0|3,0,0]=4 798 B11R1.1 O=CCOc1cnc(nc1)Br 34a_100000730009_200009817547 [0,1,0,0,0,0|3,0,0]=4 799 B11R1.1 O=CCOc1cnc(nc1)Br 7a_100000730009_200015260668 [0,1,0,0,0,0|3,0,0]=4 800 B11R1.1 O=CCOc1cnc(nc1)Cl 34a_100000092845_200009817547 [0,1,0,0,0,0|3,0,0]=4 801 B11R1.1 O=CCOc1cnc(nc1)Cl 7a_100000092845_200015260668 [0,1,0,0,0,0|3,0,0]=4 802 B11R1.1 O=CCOc1cnc(nc1)F 34a_200009874573_200009817547 [0,1,0,0,0,0|3,0,0]=4 803 B11R1.1 O=CCOc1cnc(nc1)F 7a_200009874573_200015260668 [0,1,0,0,0,0|3,0,0]=4 804 B11R1.1 O=CCOc1ncc(cn1)F 34a_100011934040_200009817547 [0,1,0,0,0,0|3,0,0]=4 805 B11R1.1 O=CCSc1cc[n+](cc1)[O-] 62a_200015260668_100000039755 [0,1,0,0,0,0|2,1,0]=4 806 B11R1.1 O=CCSc1ccc(=O)[nH]c1 62a_100000212171_200015260668 [0,1,0,0,0,0|2,1,0]=4 807 B11R1.1 O=CCSc1ccc(=O)[nH]c1 62a_200015260668_100000212171 [0,1,0,0,0,0|2,1,0]=4 808 B11R1.1 O=CCSc1ccc(cc1)Br 62a_100000752885_200015260668 [0,1,0,0,0,0|1,1,0]=3 809 B11R1.1 O=CCSc1ccc(cc1)Br 62a_200015260668_100000752885 [0,1,0,0,0,0|1,1,0]=3 810 B11R1.1 O=CCSc1ccc(cc1)Cl 62a_100000755918_200015260668 [0,1,0,0,0,0|1,1,0]=3 811 B11R1.1 O=CCSc1ccc(cc1)Cl 62a_200015260668_100000755918 [0,1,0,0,0,0|1,1,0]=3 812 B11R1.1 O=CCSc1ccc(cc1)F 62a_100000211213_200015260668 [0,1,0,0,0,0|1,1,0]=3 813 B11R1.1 O=CCSc1ccc(cc1)F 62a_200015260668_100000211213 [0,1,0,0,0,0|1,1,0]=3 814 B11R1.1 O=CCSc1ccc(cc1)O 62a_200015260668_100000185759 [0,1,0,0,0,0|1,1,0]=3 815 B11R1.1 O=CCSc1ccc(cn1)Br 62a_100000686858_200015260668 [0,1,0,0,0,0|2,1,0]=4 816 B11R1.1 O=CCSc1ccc(cn1)Br 62a_200015260668_100000686858 [0,1,0,0,0,0|2,1,0]=4 817 B11R1.1 O=CCSc1ccc(cn1)Cl 62a_100011356976_200015260668 [0,1,0,0,0,0|2,1,0]=4 818 B11R1.1 O=CCSc1ccc(cn1)Cl 62a_200015260668_100011356976 [0,1,0,0,0,0|2,1,0]=4 819 B11R1.1 O=CCSc1ccc(cn1)F 62a_100000744514_200015260668 [0,1,0,0,0,0|2,1,0]=4 820 B11R1.1 O=CCSc1ccc(cn1)F 62a_200015260668_100000744514 [0,1,0,0,0,0|2,1,0]=4 821 B11R1.1 O=CCSc1ccc(cn1)O 62a_100000685995_200015260668 [0,1,0,0,0,0|2,1,0]=4 822 B11R1.1 O=CCSc1ccc(cn1)O 62a_200015260668_100000744096 [0,1,0,0,0,0|2,1,0]=4 823 B11R1.1 O=CCSc1ccc(nc1)Br 62a_100009814638_200015260668 [0,1,0,0,0,0|2,1,0]=4 824 B11R1.1 O=CCSc1ccc(nc1)Br 62a_200015260668_100009814638 [0,1,0,0,0,0|2,1,0]=4 825 B11R1.1 O=CCSc1ccc(nc1)Cl 62a_100000034144_200015260668 [0,1,0,0,0,0|2,1,0]=4 826 B11R1.1 O=CCSc1ccc(nc1)Cl 62a_200015260668_100000034144 [0,1,0,0,0,0|2,1,0]=4 827 B11R1.1 O=CCSc1ccc(nc1)F 62a_100000042367_200015260668 [0,1,0,0,0,0|2,1,0]=4 828 B11R1.1 O=CCSc1ccc(nc1)F 62a_200015260668_100000042367 [0,1,0,0,0,0|2,1,0]=4 829 B11R1.1 O=c1ccc(c[nH]1)OCCF 34a_100000075641_100011217306 [0,1,0,0,0,0|2,0,1]=4 830 B11R1.1 O=c1ccc(c[nH]1)OCCO 34a_100000075641_100000211926 [0,1,0,0,0,0|2,0,1]=4 831 B11R1.1 OCCCc1ccc(cc1)O 271570a_203496583355_100011709247 [0,1,0,0,0,0|2,0,1]=4 832 B11R1.1 OCCNc1ccc(cc1)Br 2230a_100000210018_100000211926 [0,1,0,0,0,0|2,0,1]=4 833 B11R1.1 OCCNc1ccc(cc1)Br 34a_100000210018_100000211926 [0,1,0,0,0,0|2,0,1]=4 834 B11R1.1 OCCNc1ccc(cc1)Cl 2230a_100000210052_100000211926 [0,1,0,0,0,0|2,0,1]=4 835 B11R1.1 OCCNc1ccc(cc1)Cl 34a_100000210052_100000211926 [0,1,0,0,0,0|2,0,1]=4 836 B11R1.1 OCCNc1ccc(cc1)F 34a_100000185862_100000211926 [0,1,0,0,0,0|2,0,1]=4 837 B11R1.1 OCCNc1ccc(cc1)I 34a_100000185761_100000211926 [0,1,0,0,0,0|2,0,1]=4 838 B11R1.1 OCCNc1ccc(cc1)O 34a_100000185829_100000211926 [0,1,0,0,0,0|2,0,1]=4 839 B11R1.1 OCCOc1ccc(cc1)Br 34a_100000185759_100000211926 [0,1,0,0,0,0|1,0,1]=3 840 B11R1.1 OCCOc1ccc(cc1)Br 7a_100000185759_100000211926 [0,1,0,0,0,0|1,0,1]=3 841 B11R1.1 OCCOc1ccc(cc1)Cl 34a_100000210216_100000211926 [0,1,0,0,0,0|1,0,1]=3 842 B11R1.1 OCCOc1ccc(cc1)Cl 7a_100000210216_100000211926 [0,1,0,0,0,0|1,0,1]=3 843 B11R1.1 OCCOc1ccc(cc1)F 34a_100000210339_100000211926 [0,1,0,0,0,0|1,0,1]=3 844 B11R1.1 OCCOc1ccc(cc1)I 34a_100000212066_100000211926 [0,1,0,0,0,0|1,0,1]=3 845 B11R1.1 OCCOc1ccc(cc1)I 7a_100000212066_100000211926 [0,1,0,0,0,0|1,0,1]=3 846 B11R1.1 OCCOc1ccc(cc1)O 271570a_203496583355_100000686261 [0,1,0,0,0,0|1,0,1]=3 847 B11R1.1 OCCOc1ccc(cn1)Cl 34a_100011215309_100000211926 [0,1,0,0,0,0|2,0,1]=4 848 B11R1.1 OCCOc1ccc(cn1)F 34a_100000742473_100000211926 [0,1,0,0,0,0|2,0,1]=4 849 B11R1.1 OCCOc1ccc(nc1)Br 34a_100000685995_100000211926 [0,1,0,0,0,0|2,0,1]=4 850 B11R1.1 OCCOc1ccc(nc1)Br 7a_100000685995_100000211926 [0,1,0,0,0,0|2,0,1]=4 851 B11R1.1 OCCOc1ccc(nc1)Cl 34a_100000744096_100000211926 [0,1,0,0,0,0|2,0,1]=4 852 B11R1.1 OCCOc1ccc(nc1)Cl 7a_100000744096_100000211926 [0,1,0,0,0,0|2,0,1]=4 853 B11R1.1 OCCOc1ccc(nc1)F 34a_100000688820_100000211926 [0,1,0,0,0,0|2,0,1]=4 854 B11R1.1 OCCOc1ccc(nc1)F 7a_100000688820_100000211926 [0,1,0,0,0,0|2,0,1]=4 855 B11R1.1 OCCOc1ccc(nc1)I 34a_100000687607_100000211926 [0,1,0,0,0,0|2,0,1]=4 856 B11R1.1 OCCOc1ccc(nc1)I 7a_100000687607_100000211926 [0,1,0,0,0,0|2,0,1]=4 857 B11R1.1 OCCOc1ccc(nc1)O 271570a_203496583355_200013150534 [0,1,0,0,0,0|2,0,1]=4 858 B11R1.1 OCCSc1ccc(cc1)Br 62a_100000211926_100000752885 [0,1,0,0,0,0|1,1,1]=4 859 B11R1.1 OCCSc1ccc(cc1)Br 62a_100000752885_100000211926 [0,1,0,0,0,0|1,1,1]=4 860 B11R1.1 OCCSc1ccc(cc1)Cl 62a_100000211926_100000755918 [0,1,0,0,0,0|1,1,1]=4 861 B11R1.1 OCCSc1ccc(cc1)Cl 62a_100000755918_100000211926 [0,1,0,0,0,0|1,1,1]=4 862 B11R1.1 OCCSc1ccc(cc1)F 62a_100000211213_100000211926 [0,1,0,0,0,0|1,1,1]=4 863 B11R1.1 OCCSc1ccc(cc1)F 62a_100000211926_100000211213 [0,1,0,0,0,0|1,1,1]=4 864 B11R1.1 OCCSc1ccc(cc1)O 62a_100000211926_100000185759 [0,1,0,0,0,0|1,1,1]=4 865 B11R1.1 Oc1ccc(cc1)NCCF 34a_100000185829_100011217306 [0,1,0,0,0,0|2,0,1]=4 866 B11R1.1 Oc1ccc(cc1)OCCF 271570a_203496583355_100012347556 [0,1,0,0,0,0|1,0,1]=3 867 B11R1.1 Oc1ccc(cc1)SCCF 62a_100011217306_100000185759 [0,1,0,0,0,0|1,1,1]=4 868 B11R1.1 [13CH3]NCCc1ccc(cc1)Br 2230a_100000755846_200025704644 [0,1,0,0,0,0|2,0,1]=4 869 B11R1.1 [13CH3]NCCc1ccc(cc1)Br 34a_100000755846_200025704644 [0,1,0,0,0,0|2,0,1]=4 870 B11R1.1 [13CH3]NCCc1ccc(cc1)Cl 2230a_100000185265_200025704644 [0,1,0,0,0,0|2,0,1]=4 871 B11R1.1 [13CH3]NCCc1ccc(cc1)Cl 34a_100000185265_200025704644 [0,1,0,0,0,0|2,0,1]=4 872 B11R1.1 [13CH3]NCCc1ccc(cc1)F 2230a_100000199005_200025704644 [0,1,0,0,0,0|2,0,1]=4 873 B11R1.1 [13CH3]NCCc1ccc(cc1)F 34a_100000199005_200025704644 [0,1,0,0,0,0|2,0,1]=4 874 B11R1.1 [13CH3]NCCc1ccc(cc1)O 34a_100000743037_200025704644 [0,1,0,0,0,0|2,0,1]=4 875 B11R1.1 [13CH3]OCCc1ccc(cc1)Br 34a_100000766406_200025704644 [0,1,0,0,0,0|2,0,1]=4 876 B11R1.1 [13CH3]OCCc1ccc(cc1)Br 7a_100000766406_200025704644 [0,1,0,0,0,0|2,0,1]=4 877 B11R1.1 [13CH3]OCCc1ccc(cc1)Cl 34a_100011219627_200025704644 [0,1,0,0,0,0|2,0,1]=4 878 B11R1.1 [13CH3]OCCc1ccc(cc1)Cl 7a_100011219627_200025704644 [0,1,0,0,0,0|2,0,1]=4 879 B11R1.1 [13CH3]OCCc1ccc(cc1)F 34a_100000754732_200025704644 [0,1,0,0,0,0|2,0,1]=4 880 B11R1.1 [13CH3]OCCc1ccc(cc1)F 7a_100000754732_200025704644 [0,1,0,0,0,0|2,0,1]=4 881 B11R1.1 [13CH3]OCCc1ccc(cc1)I 34a_100012291149_200025704644 [0,1,0,0,0,0|2,0,1]=4 882 B11R1.1 [13CH3]OCCc1ccc(cc1)I 7a_100012291149_200025704644 [0,1,0,0,0,0|2,0,1]=4 883 B11R1.1 [13CH3]OCCc1ccc(cc1)N 34a_100011204434_200025704644 [0,1,0,0,0,0|2,0,1]=4 884 B11R1.1 [13CH3]SCCc1ccc(cc1)Br 62a_100011740612_200025704644 [0,1,0,0,0,0|2,0,1]=4 885 B11R1.1 [13CH3]SCCc1ccc(cc1)Br 62a_200025704644_100011740612 [0,1,0,0,0,0|2,0,1]=4 886 B11R1.1 [13CH3]SCCc1ccc(cc1)Cl 62a_100011713675_200025704644 [0,1,0,0,0,0|2,0,1]=4 887 B11R1.1 [13CH3]SCCc1ccc(cc1)Cl 62a_200025704644_100011713675 [0,1,0,0,0,0|2,0,1]=4 888 B11R1.1 [13CH3]SCCc1ccc(cc1)F 62a_100011217392_200025704644 [0,1,0,0,0,0|2,0,1]=4 889 B11R1.1 [13CH3]SCCc1ccc(cc1)F 62a_200025704644_100011217392 [0,1,0,0,0,0|2,0,1]=4 890 B11R1.1 [13CH3]SCCc1ccc(cc1)O 62a_100009816426_200025704644 [0,1,0,0,0,0|2,0,1]=4 891 B11R1.1 [13CH3]SCCc1ccc(cc1)O 62a_200025704644_100009816426 [0,1,0,0,0,0|2,0,1]=4 892 B11R1.16 C#CCC(=O)c1ccccc1 1458a_100000185807_100000184674 [0,1,0,0,0,0|1,0,2]=4 893 B11R1.16 C#CCN(C)c1ccccc1 2230a_100000210012_100000038162 [0,1,0,0,0,0|1,0,2]=4 894 B11R1.16 C#CCN(C)c1ccccc1 34a_100000210012_100000184674 [0,1,0,0,0,0|1,0,2]=4 895 B11R1.16 C=CCC(=O)c1ccccc1 1458a_100000185807_100000210623 [0,1,0,0,0,0|1,0,0]=2 896 B11R1.16 C=CCN(C)c1ccccc1 2230a_100000210012_100000210623 [0,1,0,0,0,0|1,0,0]=2 897 B11R1.16 C=CCN(C)c1ccccc1 2230a_100000211662_200000210301 [0,1,0,0,0,0|1,0,0]=2 898 B11R1.16 C=CCN(C)c1ccccc1 269982a_100000210012_100000210623 [0,1,0,0,0,0|1,0,0]=2 899 B11R1.16 C=CCN(C)c1ccccc1 269982a_100000211662_200000210301 [0,1,0,0,0,0|1,0,0]=2 900 B11R1.16 C=CCN(C)c1ccccc1 34a_100000210012_100015514636 [0,1,0,0,0,0|1,0,0]=2 901 B11R1.16 C=CCN(C)c1ccccc1 34a_100000211662_200000210301 [0,1,0,0,0,0|1,0,0]=2 902 B11R1.16 C=CCN([13CH3])c1ccccc1 2230a_100000211662_200025704644 [0,1,0,0,0,0|1,0,0]=2 903 B11R1.16 C=CCN([13CH3])c1ccccc1 269982a_100000211662_200025704644 [0,1,0,0,0,0|1,0,0]=2 904 B11R1.16 C=CCN([13CH3])c1ccccc1 34a_100000211662_200025704644 [0,1,0,0,0,0|1,0,0]=2 905 B11R1.16 CC(CN[13CH3])c1ccccc1 2230a_100000701038_200025704644 [0,1,0,0,0,0|2,0,1]=4 906 B11R1.16 CC(CN[13CH3])c1ccccc1 34a_100000701038_200025704644 [0,1,0,0,0,0|2,0,1]=4 907 B11R1.16 CC(CO[13CH3])c1ccccc1 34a_100011215166_200025704644 [0,1,0,0,0,0|2,0,1]=4 908 B11R1.16 CC(CO[13CH3])c1ccccc1 7a_100011215166_200025704644 [0,1,0,0,0,0|2,0,1]=4 909 B11R1.16 CC(CS[13CH3])c1ccccc1 62a_100000756946_200025704644 [0,1,0,0,0,0|2,0,1]=4 910 B11R1.16 CC(CS[13CH3])c1ccccc1 62a_200025704644_100000756946 [0,1,0,0,0,0|2,0,1]=4 911 B11R1.16 CCCC(=O)c1ccccc1 1458a_100000185807_100000210303 [0,1,0,0,0,0|1,0,2]=4 912 B11R1.16 CCCN(C)c1ccccc1 2230a_100000210012_100000210303 [0,1,0,0,0,0|1,0,2]=4 913 B11R1.16 CCCN(C)c1ccccc1 2230a_200011218496_200000210301 [0,1,0,0,0,0|1,0,2]=4 914 B11R1.16 CCCN(C)c1ccccc1 269982a_100000210012_100000210303 [0,1,0,0,0,0|1,0,2]=4 915 B11R1.16 CCCN(C)c1ccccc1 269982a_200011218496_200000210301 [0,1,0,0,0,0|1,0,2]=4 916 B11R1.16 CCCN(C)c1ccccc1 34a_100000210012_100000210303 [0,1,0,0,0,0|1,0,2]=4 917 B11R1.16 CCCN(C)c1ccccc1 34a_200011218496_200000210301 [0,1,0,0,0,0|1,0,2]=4 918 B11R1.16 CCCN([13CH3])c1ccccc1 2230a_200011218496_200025704644 [0,1,0,0,0,0|1,0,2]=4 919 B11R1.16 CCCN([13CH3])c1ccccc1 269982a_200011218496_200025704644 [0,1,0,0,0,0|1,0,2]=4 920 B11R1.16 CCCN([13CH3])c1ccccc1 34a_200011218496_200025704644 [0,1,0,0,0,0|1,0,2]=4 921 B11R1.16 CN(CC#N)c1ccccc1 2230a_100000210012_100011215382 [0,1,0,0,0,0|2,0,1]=4 922 B11R1.16 CN(CC#N)c1ccccc1 269982a_100000210012_100011214920 [0,1,0,0,0,0|2,0,1]=4 923 B11R1.16 CN(CC=O)c1ccccc1 2230a_100000210012_200015260668 [0,1,0,0,0,0|2,0,0]=3 924 B11R1.16 CN(CC=O)c1ccccc1 269982a_100000210012_200015260668 [0,1,0,0,0,0|2,0,0]=3 925 B11R1.16 CN(CC=O)c1ccccc1 34a_100000210012_200009817547 [0,1,0,0,0,0|2,0,0]=3 926 B11R1.16 CN(CCF)c1ccccc1 2230a_100000210012_100011217306 [0,1,0,0,0,0|2,0,1]=4 927 B11R1.16 CN(CCF)c1ccccc1 269982a_100000210012_100011217306 [0,1,0,0,0,0|2,0,1]=4 928 B11R1.16 CN(CCF)c1ccccc1 34a_100000210012_100011217306 [0,1,0,0,0,0|2,0,1]=4 929 B11R1.16 CN(CCO)c1ccccc1 2230a_100000210012_100000211926 [0,1,0,0,0,0|2,0,1]=4 930 B11R1.16 CN(CCO)c1ccccc1 2230a_100000211345_200000210301 [0,1,0,0,0,0|2,0,1]=4 931 B11R1.16 CN(CCO)c1ccccc1 269982a_100000210012_100000211926 [0,1,0,0,0,0|2,0,1]=4 932 B11R1.16 CN(CCO)c1ccccc1 269982a_100000211345_200000210301 [0,1,0,0,0,0|2,0,1]=4 933 B11R1.16 CN(CCO)c1ccccc1 34a_100000210012_100000211926 [0,1,0,0,0,0|2,0,1]=4 934 B11R1.16 CN(CCO)c1ccccc1 34a_100000211345_200000210301 [0,1,0,0,0,0|2,0,1]=4 935 B11R1.16 CNCC(=O)c1ccccc1 7a_106832991635_100000211460 [0,1,0,0,0,0|2,0,1]=4 936 B11R1.16 CNCC(C)c1ccccc1 2230a_100000701038_200000210301 [0,1,0,0,0,0|2,0,1]=4 937 B11R1.16 CNCC(C)c1ccccc1 2230a_106832991635_100000756946 [0,1,0,0,0,0|2,0,1]=4 938 B11R1.16 CNCC(C)c1ccccc1 270004a_106832991635_100000212034 [0,1,0,0,0,0|2,0,1]=4 939 B11R1.16 CNCC(C)c1ccccc1 34a_100000701038_200000210301 [0,1,0,0,0,0|2,0,1]=4 940 B11R1.16 CNCC(C)c1ccccc1 34a_100102657272_100000756946 [0,1,0,0,0,0|2,0,1]=4 941 B11R1.16 CNCC(C)c1ccccc1 7a_106832991635_100000756946 [0,1,0,0,0,0|2,0,1]=4 942 B11R1.16 CNCC(O)c1ccccc1 2230a_100000210709_200000210301 [0,1,0,0,0,0|2,0,1]=4 943 B11R1.16 CNCC(O)c1ccccc1 2230a_106832991635_100000185958 [0,1,0,0,0,0|2,0,1]=4 944 B11R1.16 CNCC(O)c1ccccc1 34a_100102657272_100000185958 [0,1,0,0,0,0|2,0,1]=4 945 B11R1.16 CNCC(O)c1ccccc1 7a_106832991635_100000185958 [0,1,0,0,0,0|2,0,1]=4 946 B11R1.16 CNC[C@@H](O)c1ccccc1 2230a_106832991635_100011933945 [0,1,0,0,0,0|2,0,1]=4 947 B11R1.16 CNC[C@@H](O)c1ccccc1 34a_100102657272_100011933945 [0,1,0,0,0,0|2,0,1]=4 948 B11R1.16 CNC[C@@H](O)c1ccccc1 7a_106832991635_100011933945 [0,1,0,0,0,0|2,0,1]=4 949 B11R1.16 COCC(C)c1ccccc1 34a_100011215166_200000210301 [0,1,0,0,0,0|2,0,1]=4 950 B11R1.16 COCC(C)c1ccccc1 34a_100138415774_100000756946 [0,1,0,0,0,0|2,0,1]=4 951 B11R1.16 COCC(C)c1ccccc1 7a_100011215166_200000210301 [0,1,0,0,0,0|2,0,1]=4 952 B11R1.16 COCC(O)c1ccccc1 34a_100138415774_100000185958 [0,1,0,0,0,0|2,0,1]=4 953 B11R1.16 COCN(C)c1ccccc1 2230a_100000210012_100000766300 [0,1,0,0,0,0|2,0,1]=4 954 B11R1.16 COCN(C)c1ccccc1 269982a_100000210012_100000766300 [0,1,0,0,0,0|2,0,1]=4 955 B11R1.16 COC[C@@H](N)c1ccccc1 34a_100000751927_200000210301 [0,1,0,0,0,0|2,0,1]=4 956 B11R1.16 COC[C@@H](O)c1ccccc1 34a_100138415774_100011933945 [0,1,0,0,0,0|2,0,1]=4 957 B11R1.16 CSCC(=O)c1ccccc1 62a_100000211460_200000210301 [0,1,0,0,0,0|2,0,1]=4 958 B11R1.16 CSCC(=O)c1ccccc1 62a_200000210301_100000211460 [0,1,0,0,0,0|2,0,1]=4 959 B11R1.16 CSCC(C)c1ccccc1 62a_100000756946_200000210301 [0,1,0,0,0,0|2,0,1]=4 960 B11R1.16 CSCC(C)c1ccccc1 62a_200000210301_100000756946 [0,1,0,0,0,0|2,0,1]=4 961 B11R1.16 CSCC(O)c1ccccc1 62a_100000185958_200000210301 [0,1,0,0,0,0|2,0,1]=4 962 B11R1.16 CSCC(O)c1ccccc1 62a_200000210301_100000185958 [0,1,0,0,0,0|2,0,1]=4 963 B11R1.16 CSCN(C)c1ccccc1 2230a_100000210012_100011218213 [0,1,0,0,0,0|2,0,1]=4 964 B11R1.16 CSCN(C)c1ccccc1 269982a_100000210012_100011218213 [0,1,0,0,0,0|2,0,1]=4 965 B11R1.16 CSCN(C)c1ccccc1 34a_100000210012_100011218213 [0,1,0,0,0,0|2,0,1]=4 966 B11R1.16 CSCS(=O)c1ccccc1 62a_200000210301_100000031784 [0,1,0,0,0,0|1,1,1]=4 967 B11R1.16 CSC[C@@H](O)c1ccccc1 62a_100011933945_200000210301 [0,1,0,0,0,0|2,0,1]=4 968 B11R1.16 CSC[C@@H](O)c1ccccc1 62a_200000210301_100011933945 [0,1,0,0,0,0|2,0,1]=4 969 B11R1.16 N#CCC(=O)c1ccccc1 1458a_100000185807_100011214920 [0,1,0,0,0,0|2,0,1]=4 970 B11R1.16 O=C(CCF)c1ccccc1 1458a_100000185807_100011217306 [0,1,0,0,0,0|2,0,1]=4 971 B11R1.16 O=C(CCO)c1ccccc1 1458a_100000185807_100000211926 [0,1,0,0,0,0|2,0,1]=4 972 B11R1.16 [13CH3]N(CCO)c1ccccc1 2230a_100000211345_200025704644 [0,1,0,0,0,0|2,0,1]=4 973 B11R1.16 [13CH3]N(CCO)c1ccccc1 269982a_100000211345_200025704644 [0,1,0,0,0,0|2,0,1]=4 974 B11R1.16 [13CH3]N(CCO)c1ccccc1 34a_100000211345_200025704644 [0,1,0,0,0,0|2,0,1]=4 975 B11R1.16 [13CH3]NCC(O)c1ccccc1 2230a_100000210709_200025704644 [0,1,0,0,0,0|2,0,1]=4 976 B11R1.16 [13CH3]OC[C@@H](N)c1ccccc1 34a_100000751927_200025704644 [0,1,0,0,0,0|2,0,1]=4 977 B11R1.16 [13CH3]SCC(=O)c1ccccc1 62a_100000211460_200025704644 [0,1,0,0,0,0|2,0,1]=4 978 B11R1.16 [13CH3]SCC(=O)c1ccccc1 62a_200025704644_100000211460 [0,1,0,0,0,0|2,0,1]=4 979 B11R1.16 [13CH3]SCC(O)c1ccccc1 62a_100000185958_200025704644 [0,1,0,0,0,0|2,0,1]=4 980 B11R1.16 [13CH3]SCC(O)c1ccccc1 62a_200025704644_100000185958 [0,1,0,0,0,0|2,0,1]=4 981 B11R1.16 [13CH3]SCS(=O)c1ccccc1 62a_200025704644_100000031784 [0,1,0,0,0,0|1,1,1]=4 982 B11R1.16 [13CH3]SC[C@@H](O)c1ccccc1 62a_100011933945_200025704644 [0,1,0,0,0,0|2,0,1]=4 983 B11R1.16 [13CH3]SC[C@@H](O)c1ccccc1 62a_200025704644_100011933945 [0,1,0,0,0,0|2,0,1]=4 984 B11R1.17 C#CCNc1ccccc1Br 34a_100000210017_100000184674 [0,1,0,0,0,0|1,0,2]=4 985 B11R1.17 C#CCNc1ccccc1C 34a_100015192222_100000184674 [0,1,0,0,0,0|1,0,2]=4 986 B11R1.17 C#CCNc1ccccc1Cl 34a_100000185783_100000184674 [0,1,0,0,0,0|1,0,2]=4 987 B11R1.17 C#CCNc1ccccc1F 34a_100000210422_100000184674 [0,1,0,0,0,0|1,0,2]=4 988 B11R1.17 C#CCNc1ccccc1I 34a_100000210053_100000184674 [0,1,0,0,0,0|1,0,2]=4 989 B11R1.17 C#CCNc1ccccc1O 34a_100000185747_100000184674 [0,1,0,0,0,0|1,0,2]=4 990 B11R1.17 C#CCOc1cccc[n+]1[O-] 7a_100000211761_100000038162 [0,1,0,0,0,0|1,0,2]=4 991 B11R1.17 C#CCOc1ccccc1Br 34a_100000181306_100000184674 [0,1,0,0,0,0|0,0,2]=3 992 B11R1.17 C#CCOc1ccccc1Br 7a_100000181306_100000038162 [0,1,0,0,0,0|0,0,2]=3 993 B11R1.17 C#CCOc1ccccc1C 34a_100000210338_100000184674 [0,1,0,0,0,0|0,0,2]=3 994 B11R1.17 C#CCOc1ccccc1C 7a_100000210338_100000038162 [0,1,0,0,0,0|0,0,2]=3 995 B11R1.17 C#CCOc1ccccc1Cl 34a_100000210172_100000184674 [0,1,0,0,0,0|0,0,2]=3 996 B11R1.17 C#CCOc1ccccc1Cl 7a_100000210172_100000038162 [0,1,0,0,0,0|0,0,2]=3 997 B11R1.17 C#CCOc1ccccc1F 34a_100000210171_100000184674 [0,1,0,0,0,0|0,0,2]=3 998 B11R1.17 C#CCOc1ccccc1F 7a_100000210171_100000038162 [0,1,0,0,0,0|0,0,2]=3 999 B11R1.17 C#CCOc1ccccc1I 34a_100000739446_100000184674 [0,1,0,0,0,0|0,0,2]=3 1000 B11R1.17 C#CCOc1ccccc1I 7a_100000739446_100000038162 [0,1,0,0,0,0|0,0,2]=3 1001 B11R1.17 C#CCOc1ccccc1N 34a_100000185747_100000184674 [0,1,0,0,0,0|0,0,2]=3 1002 B11R1.17 C#CCOc1ccccc1N 7a_100000185747_100000038162 [0,1,0,0,0,0|0,0,2]=3 1003 B11R1.17 C#CCOc1cccnc1Br 34a_100000744436_100000184674 [0,1,0,0,0,0|1,0,2]=4 1004 B11R1.17 C#CCOc1cccnc1Br 7a_100000744436_100000038162 [0,1,0,0,0,0|1,0,2]=4 1005 B11R1.17 C#CCOc1cccnc1C 34a_100000745507_100000184674 [0,1,0,0,0,0|1,0,2]=4 1006 B11R1.17 C#CCOc1cccnc1C 7a_100000745507_100000038162 [0,1,0,0,0,0|1,0,2]=4 1007 B11R1.17 C#CCOc1cccnc1Cl 34a_100000757616_100000184674 [0,1,0,0,0,0|1,0,2]=4 1008 B11R1.17 C#CCOc1cccnc1Cl 7a_100000757616_100000038162 [0,1,0,0,0,0|1,0,2]=4 1009 B11R1.17 C#CCOc1cccnc1F 34a_100000061740_100000184674 [0,1,0,0,0,0|1,0,2]=4 1010 B11R1.17 C#CCOc1cccnc1F 7a_100000061740_100000038162 [0,1,0,0,0,0|1,0,2]=4 1011 B11R1.17 C#CCOc1cccnc1I 34a_100000034122_100000184674 [0,1,0,0,0,0|1,0,2]=4 1012 B11R1.17 C#CCOc1cccnc1I 7a_100000034122_100000038162 [0,1,0,0,0,0|1,0,2]=4 1013 B11R1.17 C#CCOc1cccnc1N 34a_100000211975_100000184674 [0,1,0,0,0,0|1,0,2]=4 1014 B11R1.17 C#CCOc1cccnc1N 7a_100000211975_100000038162 [0,1,0,0,0,0|1,0,2]=4 1015 B11R1.17 C#CCOc1cccoc1=O 34a_100000077404_100000184674 [0,1,0,0,0,0|1,0,2]=4 1016 B11R1.17 C#CCOc1cccoc1=O 7a_100000077404_100000038162 [0,1,0,0,0,0|1,0,2]=4 1017 B11R1.17 C#CCOc1ccncc1Br 34a_100011996408_100000184674 [0,1,0,0,0,0|1,0,2]=4 1018 B11R1.17 C#CCOc1ccncc1C 34a_100000694293_100000184674 [0,1,0,0,0,0|1,0,2]=4 1019 B11R1.17 C#CCOc1ccncc1Cl 34a_100011997054_100000184674 [0,1,0,0,0,0|1,0,2]=4 1020 B11R1.17 C#CCOc1ccncc1F 34a_200000081243_100000184674 [0,1,0,0,0,0|1,0,2]=4 1021 B11R1.17 C#CCOc1cnccc1C 34a_100011997053_100000184674 [0,1,0,0,0,0|1,0,2]=4 1022 B11R1.17 C#CCOc1cnccc1C 7a_100011997053_100000038162 [0,1,0,0,0,0|1,0,2]=4 1023 B11R1.17 C#CCOc1cnccc1Cl 34a_100011996695_100000184674 [0,1,0,0,0,0|1,0,2]=4 1024 B11R1.17 C#CCOc1cnccc1I 34a_100000050107_100000184674 [0,1,0,0,0,0|1,0,2]=4 1025 B11R1.17 C#CCOc1cnccc1N 34a_100000753702_100000184674 [0,1,0,0,0,0|1,0,2]=4 1026 B11R1.17 C#CCOc1coccc1=O 34a_100000060831_100000184674 [0,1,0,0,0,0|1,0,2]=4 1027 B11R1.17 C#CCOc1ncccc1Cl 34a_100011290957_100000184674 [0,1,0,0,0,0|1,0,2]=4 1028 B11R1.17 C#CCOc1ncccc1F 34a_100011219419_100000184674 [0,1,0,0,0,0|1,0,2]=4 1029 B11R1.17 C#CCOc1ncccc1N 34a_100000746358_100000184674 [0,1,0,0,0,0|1,0,2]=4 1030 B11R1.17 C#CCSc1ccccc1Br 62a_100000038162_100000695589 [0,1,0,0,0,0|0,1,2]=4 1031 B11R1.17 C#CCSc1ccccc1C 62a_100000038162_100000210755 [0,1,0,0,0,0|0,1,2]=4 1032 B11R1.17 C#CCSc1ccccc1Cl 62a_100000038162_100000764095 [0,1,0,0,0,0|0,1,2]=4 1033 B11R1.17 C#CCSc1ccccc1F 62a_100000038162_100011215700 [0,1,0,0,0,0|0,1,2]=4 1034 B11R1.17 C#CCSc1ccccc1N 62a_100000038162_100000210017 [0,1,0,0,0,0|0,1,2]=4 1035 B11R1.17 C#CCSc1ccccc1O 62a_100000038162_100000739446 [0,1,0,0,0,0|0,1,2]=4 1036 B11R1.17 C=CCNc1ccccc1Br 34a_100000210017_100015514636 [0,1,0,0,0,0|1,0,0]=2 1037 B11R1.17 C=CCNc1ccccc1C 34a_100015192222_100015514636 [0,1,0,0,0,0|1,0,0]=2 1038 B11R1.17 C=CCNc1ccccc1Cl 34a_100000185783_100015514636 [0,1,0,0,0,0|1,0,0]=2 1039 B11R1.17 C=CCNc1ccccc1F 34a_100000210422_100015514636 [0,1,0,0,0,0|1,0,0]=2 1040 B11R1.17 C=CCNc1ccccc1I 34a_100000210053_100015514636 [0,1,0,0,0,0|1,0,0]=2 1041 B11R1.17 C=CCNc1ccccc1O 34a_100000185747_100015514636 [0,1,0,0,0,0|1,0,0]=2 1042 B11R1.17 C=CCNc1ccn[nH]c1=O 27a_100020586998_100000087129 [0,1,0,0,0,0|3,0,0]=4 1043 B11R1.17 C=CCNc1ccncc1Br 27a_100020586998_100000726257 [0,1,0,0,0,0|2,0,0]=3 1044 B11R1.17 C=CCNc1ccncc1C 27a_100020586998_100000765111 [0,1,0,0,0,0|2,0,0]=3 1045 B11R1.17 C=CCNc1ccncc1F 27a_100020586998_100000035921 [0,1,0,0,0,0|2,0,0]=3 1046 B11R1.17 C=CCNc1ncccc1Br 27a_100020586998_100000696092 [0,1,0,0,0,0|2,0,0]=3 1047 B11R1.17 C=CCNc1nccnc1C 27a_100020586998_100011999405 [0,1,0,0,0,0|3,0,0]=4 1048 B11R1.17 C=CCNc1nccnc1F 27a_100020586998_200010125657 [0,1,0,0,0,0|3,0,0]=4 1049 B11R1.17 C=CCNc1ncncc1C 27a_100020586998_100011998708 [0,1,0,0,0,0|3,0,0]=4 1050 B11R1.17 C=CCNc1ncncc1F 27a_100020586998_100000069762 [0,1,0,0,0,0|3,0,0]=4 1051 B11R1.17 C=CCNc1ncncc1N 27a_100020586998_100000709731 [0,1,0,0,0,0|3,0,0]=4 1052 B11R1.17 C=CCNc1nnccc1C 27a_100020586998_100000089043 [0,1,0,0,0,0|3,0,0]=4 1053 B11R1.17 C=CCOc1cccc[n+]1[O-] 7a_100000211761_100015514636 [0,1,0,0,0,0|1,0,0]=2 1054 B11R1.17 C=CCOc1ccccc1Br 34a_100000181306_100015514636 [0,1,0,0,0,0|0,0,0]=1 1055 B11R1.17 C=CCOc1ccccc1Br 7a_100000181306_100015514636 [0,1,0,0,0,0|0,0,0]=1 1056 B11R1.17 C=CCOc1ccccc1C 34a_100000210338_100015514636 [0,1,0,0,0,0|0,0,0]=1 1057 B11R1.17 C=CCOc1ccccc1C 7a_100000210338_100015514636 [0,1,0,0,0,0|0,0,0]=1 1058 B11R1.17 C=CCOc1ccccc1Cl 34a_100000210172_100015514636 [0,1,0,0,0,0|0,0,0]=1 1059 B11R1.17 C=CCOc1ccccc1Cl 7a_100000210172_100015514636 [0,1,0,0,0,0|0,0,0]=1 1060 B11R1.17 C=CCOc1ccccc1F 34a_100000210171_100015514636 [0,1,0,0,0,0|0,0,0]=1 1061 B11R1.17 C=CCOc1ccccc1F 7a_100000210171_100015514636 [0,1,0,0,0,0|0,0,0]=1 1062 B11R1.17 C=CCOc1ccccc1I 34a_100000739446_100015514636 [0,1,0,0,0,0|0,0,0]=1 1063 B11R1.17 C=CCOc1ccccc1I 7a_100000739446_100015514636 [0,1,0,0,0,0|0,0,0]=1 1064 B11R1.17 C=CCOc1ccccc1N 34a_100000185747_100015514636 [0,1,0,0,0,0|0,0,0]=1 1065 B11R1.17 C=CCOc1ccccc1N 7a_100000185747_100015514636 [0,1,0,0,0,0|0,0,0]=1 1066 B11R1.17 C=CCOc1cccnc1Br 34a_100000744436_100015514636 [0,1,0,0,0,0|1,0,0]=2 1067 B11R1.17 C=CCOc1cccnc1Br 7a_100000744436_100015514636 [0,1,0,0,0,0|1,0,0]=2 1068 B11R1.17 C=CCOc1cccnc1C 34a_100000745507_100015514636 [0,1,0,0,0,0|1,0,0]=2 1069 B11R1.17 C=CCOc1cccnc1C 7a_100000745507_100015514636 [0,1,0,0,0,0|1,0,0]=2 1070 B11R1.17 C=CCOc1cccnc1Cl 34a_100000757616_100015514636 [0,1,0,0,0,0|1,0,0]=2 1071 B11R1.17 C=CCOc1cccnc1Cl 7a_100000757616_100015514636 [0,1,0,0,0,0|1,0,0]=2 1072 B11R1.17 C=CCOc1cccnc1F 34a_100000061740_100015514636 [0,1,0,0,0,0|1,0,0]=2 1073 B11R1.17 C=CCOc1cccnc1F 7a_100000061740_100015514636 [0,1,0,0,0,0|1,0,0]=2 1074 B11R1.17 C=CCOc1cccnc1I 34a_100000034122_100015514636 [0,1,0,0,0,0|1,0,0]=2 1075 B11R1.17 C=CCOc1cccnc1I 7a_100000034122_100015514636 [0,1,0,0,0,0|1,0,0]=2 1076 B11R1.17 C=CCOc1cccnc1N 34a_100000211975_100015514636 [0,1,0,0,0,0|1,0,0]=2 1077 B11R1.17 C=CCOc1cccnc1N 7a_100000211975_100015514636 [0,1,0,0,0,0|1,0,0]=2 1078 B11R1.17 C=CCOc1cccoc1=O 34a_100000077404_100015514636 [0,1,0,0,0,0|1,0,0]=2 1079 B11R1.17 C=CCOc1cccoc1=O 7a_100000077404_100015514636 [0,1,0,0,0,0|1,0,0]=2 1080 B11R1.17 C=CCOc1ccncc1Br 34a_100011996408_100015514636 [0,1,0,0,0,0|1,0,0]=2 1081 B11R1.17 C=CCOc1ccncc1C 34a_100000694293_100015514636 [0,1,0,0,0,0|1,0,0]=2 1082 B11R1.17 C=CCOc1ccncc1Cl 34a_100011997054_100015514636 [0,1,0,0,0,0|1,0,0]=2 1083 B11R1.17 C=CCOc1ccncc1F 34a_200000081243_100015514636 [0,1,0,0,0,0|1,0,0]=2 1084 B11R1.17 C=CCOc1cnccc1C 34a_100011997053_100015514636 [0,1,0,0,0,0|1,0,0]=2 1085 B11R1.17 C=CCOc1cnccc1C 7a_100011997053_100015514636 [0,1,0,0,0,0|1,0,0]=2 1086 B11R1.17 C=CCOc1cnccc1Cl 34a_100011996695_100015514636 [0,1,0,0,0,0|1,0,0]=2 1087 B11R1.17 C=CCOc1cnccc1I 34a_100000050107_100015514636 [0,1,0,0,0,0|1,0,0]=2 1088 B11R1.17 C=CCOc1cnccc1N 34a_100000753702_100015514636 [0,1,0,0,0,0|1,0,0]=2 1089 B11R1.17 C=CCOc1cncnc1N 7a_100000112926_100015514636 [0,1,0,0,0,0|2,0,0]=3 1090 B11R1.17 C=CCOc1coccc1=O 34a_100000060831_100015514636 [0,1,0,0,0,0|1,0,0]=2 1091 B11R1.17 C=CCOc1ncccc1Cl 34a_100011290957_100015514636 [0,1,0,0,0,0|1,0,0]=2 1092 B11R1.17 C=CCOc1ncccc1F 34a_100011219419_100015514636 [0,1,0,0,0,0|1,0,0]=2 1093 B11R1.17 C=CCOc1ncccc1N 34a_100000746358_100015514636 [0,1,0,0,0,0|1,0,0]=2 1094 B11R1.17 C=CCOc1nccnc1C 34a_100000766352_100015514636 [0,1,0,0,0,0|2,0,0]=3 1095 B11R1.17 C=CCSc1c[nH]ccc1=O 62a_100000210623_100009998708 [0,1,0,0,0,0|1,1,0]=3 1096 B11R1.17 C=CCSc1c[nH]ccc1=O 62a_100009998708_100000210623 [0,1,0,0,0,0|1,1,0]=3 1097 B11R1.17 C=CCSc1c[nH]ccc1=S 62a_100000210623_200012280681 [0,1,0,0,0,0|1,1,0]=3 1098 B11R1.17 C=CCSc1c[nH]ccc1=S 62a_200012280681_100000210623 [0,1,0,0,0,0|1,1,0]=3 1099 B11R1.17 C=CCSc1cccc[n+]1C 62a_100000210623_100000212160 [0,1,0,0,0,0|1,1,0]=3 1100 B11R1.17 C=CCSc1cccc[n+]1[O-] 62a_100000210623_200000042595 [0,1,0,0,0,0|1,1,0]=3 1101 B11R1.17 C=CCSc1ccccc1Br 62a_100000210623_100000695589 [0,1,0,0,0,0|0,1,0]=2 1102 B11R1.17 C=CCSc1ccccc1Br 62a_100000695589_100000210623 [0,1,0,0,0,0|0,1,0]=2 1103 B11R1.17 C=CCSc1ccccc1C 62a_100000210623_100000210755 [0,1,0,0,0,0|0,1,0]=2 1104 B11R1.17 C=CCSc1ccccc1C 62a_100000210755_100000210623 [0,1,0,0,0,0|0,1,0]=2 1105 B11R1.17 C=CCSc1ccccc1Cl 62a_100000210623_100000764095 [0,1,0,0,0,0|0,1,0]=2 1106 B11R1.17 C=CCSc1ccccc1Cl 62a_100000764095_100000210623 [0,1,0,0,0,0|0,1,0]=2 1107 B11R1.17 C=CCSc1ccccc1F 62a_100000210623_100011215700 [0,1,0,0,0,0|0,1,0]=2 1108 B11R1.17 C=CCSc1ccccc1F 62a_100011215700_100000210623 [0,1,0,0,0,0|0,1,0]=2 1109 B11R1.17 C=CCSc1ccccc1N 62a_100000210017_100000210623 [0,1,0,0,0,0|0,1,0]=2 1110 B11R1.17 C=CCSc1ccccc1N 62a_100000210623_100000210017 [0,1,0,0,0,0|0,1,0]=2 1111 B11R1.17 C=CCSc1ccccc1O 62a_100000210623_100000739446 [0,1,0,0,0,0|0,1,0]=2 1112 B11R1.17 C=CCSc1ccccc1O 62a_100000739446_100000210623 [0,1,0,0,0,0|0,1,0]=2 1113 B11R1.17 C=CCSc1cccnc1Br 62a_100000210623_100010202626 [0,1,0,0,0,0|1,1,0]=3 1114 B11R1.17 C=CCSc1cccnc1Br 62a_100010202626_100000210623 [0,1,0,0,0,0|1,1,0]=3 1115 B11R1.17 C=CCSc1cccnc1C 62a_100000210623_100000751574 [0,1,0,0,0,0|1,1,0]=3 1116 B11R1.17 C=CCSc1cccnc1C 62a_100000751574_100000210623 [0,1,0,0,0,0|1,1,0]=3 1117 B11R1.17 C=CCSc1cccnc1Cl 62a_100000036424_100000210623 [0,1,0,0,0,0|1,1,0]=3 1118 B11R1.17 C=CCSc1cccnc1Cl 62a_100000210623_100000036424 [0,1,0,0,0,0|1,1,0]=3 1119 B11R1.17 C=CCSc1cccnc1F 62a_100000210623_100009816115 [0,1,0,0,0,0|1,1,0]=3 1120 B11R1.17 C=CCSc1cccnc1F 62a_100009816115_100000210623 [0,1,0,0,0,0|1,1,0]=3 1121 B11R1.17 C=CCSc1cccnc1N 62a_100000045569_100000210623 [0,1,0,0,0,0|1,1,0]=3 1122 B11R1.17 C=CCSc1cccnc1N 62a_100000210623_100000045569 [0,1,0,0,0,0|1,1,0]=3 1123 B11R1.17 C=CCSc1cccnc1O 62a_100000210623_100000760158 [0,1,0,0,0,0|1,1,0]=3 1124 B11R1.17 C=CCSc1cccnc1O 62a_100000760158_100000210623 [0,1,0,0,0,0|1,1,0]=3 1125 B11R1.17 C=CCSc1ccn[nH]c1=O 62a_100000210623_100000087129 [0,1,0,0,0,0|2,1,0]=4 1126 B11R1.17 C=CCSc1ccncc1Br 62a_100000210623_100000726257 [0,1,0,0,0,0|1,1,0]=3 1127 B11R1.17 C=CCSc1ccncc1Br 62a_100000726257_100000210623 [0,1,0,0,0,0|1,1,0]=3 1128 B11R1.17 C=CCSc1ccncc1C 62a_100000210623_100000765111 [0,1,0,0,0,0|1,1,0]=3 1129 B11R1.17 C=CCSc1ccncc1C 62a_100000765111_100000210623 [0,1,0,0,0,0|1,1,0]=3 1130 B11R1.17 C=CCSc1ccncc1Cl 62a_100000210623_100000708259 [0,1,0,0,0,0|1,1,0]=3 1131 B11R1.17 C=CCSc1ccncc1Cl 62a_100000708259_100000210623 [0,1,0,0,0,0|1,1,0]=3 1132 B11R1.17 C=CCSc1ccncc1F 62a_100000047030_100000210623 [0,1,0,0,0,0|1,1,0]=3 1133 B11R1.17 C=CCSc1ccncc1F 62a_100000210623_100000047030 [0,1,0,0,0,0|1,1,0]=3 1134 B11R1.17 C=CCSc1ccncc1N 62a_100000210623_100000756074 [0,1,0,0,0,0|1,1,0]=3 1135 B11R1.17 C=CCSc1ccncc1N 62a_100000756074_100000210623 [0,1,0,0,0,0|1,1,0]=3 1136 B11R1.17 C=CCSc1ccncc1O 62a_100000210623_100009817591 [0,1,0,0,0,0|1,1,0]=3 1137 B11R1.17 C=CCSc1ccncc1O 62a_100009817591_100000210623 [0,1,0,0,0,0|1,1,0]=3 1138 B11R1.17 C=CCSc1cnccc1Br 62a_100000210623_100010138639 [0,1,0,0,0,0|1,1,0]=3 1139 B11R1.17 C=CCSc1cnccc1Br 62a_100010138639_100000210623 [0,1,0,0,0,0|1,1,0]=3 1140 B11R1.17 C=CCSc1cnccc1C 62a_100000210623_100000761580 [0,1,0,0,0,0|1,1,0]=3 1141 B11R1.17 C=CCSc1cnccc1C 62a_100000761580_100000210623 [0,1,0,0,0,0|1,1,0]=3 1142 B11R1.17 C=CCSc1cnccc1Cl 62a_100000210623_100009995489 [0,1,0,0,0,0|1,1,0]=3 1143 B11R1.17 C=CCSc1cnccc1Cl 62a_100009995489_100000210623 [0,1,0,0,0,0|1,1,0]=3 1144 B11R1.17 C=CCSc1cnccc1F 62a_100000210623_100009820683 [0,1,0,0,0,0|1,1,0]=3 1145 B11R1.17 C=CCSc1cnccc1F 62a_100009820683_100000210623 [0,1,0,0,0,0|1,1,0]=3 1146 B11R1.17 C=CCSc1cnccc1N 62a_100000047001_100000210623 [0,1,0,0,0,0|1,1,0]=3 1147 B11R1.17 C=CCSc1cnccc1N 62a_100000210623_100000047001 [0,1,0,0,0,0|1,1,0]=3 1148 B11R1.17 C=CCSc1cncnc1Br 62a_100000210623_200012461658 [0,1,0,0,0,0|2,1,0]=4 1149 B11R1.17 C=CCSc1cncnc1Br 62a_200012461658_100000210623 [0,1,0,0,0,0|2,1,0]=4 1150 B11R1.17 C=CCSc1cncnc1C 62a_100000210623_100009819671 [0,1,0,0,0,0|2,1,0]=4 1151 B11R1.17 C=CCSc1cncnc1C 62a_100009819671_100000210623 [0,1,0,0,0,0|2,1,0]=4 1152 B11R1.17 C=CCSc1cncnc1Cl 62a_100000210623_100000758962 [0,1,0,0,0,0|2,1,0]=4 1153 B11R1.17 C=CCSc1cncnc1Cl 62a_100000758962_100000210623 [0,1,0,0,0,0|2,1,0]=4 1154 B11R1.17 C=CCSc1cncnc1N 62a_100000210623_100011996079 [0,1,0,0,0,0|2,1,0]=4 1155 B11R1.17 C=CCSc1cncnc1N 62a_100011996079_100000210623 [0,1,0,0,0,0|2,1,0]=4 1156 B11R1.17 C=CCSc1cncnc1O 62a_100000210623_100000751107 [0,1,0,0,0,0|2,1,0]=4 1157 B11R1.17 C=CCSc1cncnc1O 62a_100000751107_100000210623 [0,1,0,0,0,0|2,1,0]=4 1158 B11R1.17 C=CCSc1cnncc1N 62a_100000210623_100009829405 [0,1,0,0,0,0|2,1,0]=4 1159 B11R1.17 C=CCSc1cnncc1N 62a_100009829405_100000210623 [0,1,0,0,0,0|2,1,0]=4 1160 B11R1.17 C=CCSc1ncc[nH]c1=O 62a_100000210623_100000763361 [0,1,0,0,0,0|2,1,0]=4 1161 B11R1.17 C=CCSc1ncccc1Br 62a_100000210623_100000696092 [0,1,0,0,0,0|1,1,0]=3 1162 B11R1.17 C=CCSc1ncccc1Br 62a_100000696092_100000210623 [0,1,0,0,0,0|1,1,0]=3 1163 B11R1.17 C=CCSc1ncccc1C 62a_100000210623_100000751373 [0,1,0,0,0,0|1,1,0]=3 1164 B11R1.17 C=CCSc1ncccc1C 62a_100000751373_100000210623 [0,1,0,0,0,0|1,1,0]=3 1165 B11R1.17 C=CCSc1ncccc1Cl 62a_100000210623_100011356963 [0,1,0,0,0,0|1,1,0]=3 1166 B11R1.17 C=CCSc1ncccc1Cl 62a_100011356963_100000210623 [0,1,0,0,0,0|1,1,0]=3 1167 B11R1.17 C=CCSc1ncccc1F 62a_100000210623_100000685392 [0,1,0,0,0,0|1,1,0]=3 1168 B11R1.17 C=CCSc1ncccc1F 62a_100000685392_100000210623 [0,1,0,0,0,0|1,1,0]=3 1169 B11R1.17 C=CCSc1ncccc1N 62a_100000210623_100000688686 [0,1,0,0,0,0|1,1,0]=3 1170 B11R1.17 C=CCSc1ncccc1N 62a_100000688686_100000210623 [0,1,0,0,0,0|1,1,0]=3 1171 B11R1.17 C=CCSc1ncccc1O 62a_100000034122_100000210623 [0,1,0,0,0,0|1,1,0]=3 1172 B11R1.17 C=CCSc1ncccc1O 62a_100000210623_100000034122 [0,1,0,0,0,0|1,1,0]=3 1173 B11R1.17 C=CCSc1nccnc1C 62a_100000210623_100011999405 [0,1,0,0,0,0|2,1,0]=4 1174 B11R1.17 C=CCSc1nccnc1C 62a_100011999405_100000210623 [0,1,0,0,0,0|2,1,0]=4 1175 B11R1.17 C=CCSc1nccnc1Cl 62a_100000210623_100010886584 [0,1,0,0,0,0|2,1,0]=4 1176 B11R1.17 C=CCSc1nccnc1Cl 62a_100010886584_100000210623 [0,1,0,0,0,0|2,1,0]=4 1177 B11R1.17 C=CCSc1nccnc1F 62a_100000210623_200010125657 [0,1,0,0,0,0|2,1,0]=4 1178 B11R1.17 C=CCSc1nccnc1F 62a_200010125657_100000210623 [0,1,0,0,0,0|2,1,0]=4 1179 B11R1.17 C=CCSc1nccnc1N 62a_100000210623_100000747729 [0,1,0,0,0,0|2,1,0]=4 1180 B11R1.17 C=CCSc1nccnc1N 62a_100000747729_100000210623 [0,1,0,0,0,0|2,1,0]=4 1181 B11R1.17 C=CCSc1ncncc1C 62a_100000210623_100011998708 [0,1,0,0,0,0|2,1,0]=4 1182 B11R1.17 C=CCSc1ncncc1C 62a_100011998708_100000210623 [0,1,0,0,0,0|2,1,0]=4 1183 B11R1.17 C=CCSc1ncncc1F 62a_100000069762_100000210623 [0,1,0,0,0,0|2,1,0]=4 1184 B11R1.17 C=CCSc1ncncc1F 62a_100000210623_100000069762 [0,1,0,0,0,0|2,1,0]=4 1185 B11R1.17 C=CCSc1ncncc1N 62a_100000210623_100000709731 [0,1,0,0,0,0|2,1,0]=4 1186 B11R1.17 C=CCSc1ncncc1N 62a_100000709731_100000210623 [0,1,0,0,0,0|2,1,0]=4 1187 B11R1.17 C=CCSc1nnccc1C 62a_100000210623_100000089043 [0,1,0,0,0,0|2,1,0]=4 1188 B11R1.17 CC=NNc1ccccc1Br 4a_100000241748_200000210099 [0,1,0,0,0,0|2,0,1]=4 1189 B11R1.17 CC=NNc1ccccc1C 4a_100000184220_200000210099 [0,1,0,0,0,0|2,0,1]=4 1190 B11R1.17 CC=NNc1ccccc1Cl 4a_100000683529_200000210099 [0,1,0,0,0,0|2,0,1]=4 1191 B11R1.17 CC=NNc1ccccc1F 4a_100000239246_200000210099 [0,1,0,0,0,0|2,0,1]=4 1192 B11R1.17 CC=NNc1ccccc1I 4a_100011218156_200000210099 [0,1,0,0,0,0|2,0,1]=4 1193 B11R1.17 CCCCc1ccccc1Br 271570a_100020621405_100000695589 [0,1,0,0,0,0|1,0,2]=4 1194 B11R1.17 CCCCc1ccccc1C 271570a_100020621405_100000210755 [0,1,0,0,0,0|1,0,2]=4 1195 B11R1.17 CCCCc1ccccc1Cl 271570a_100020621405_100000764095 [0,1,0,0,0,0|1,0,2]=4 1196 B11R1.17 CCCCc1ccccc1F 271570a_100020621405_100011215700 [0,1,0,0,0,0|1,0,2]=4 1197 B11R1.17 CCCCc1ccccc1N 271570a_100020621405_100000210017 [0,1,0,0,0,0|1,0,2]=4 1198 B11R1.17 CCCCc1ccccc1O 271570a_100020621405_100000739446 [0,1,0,0,0,0|1,0,2]=4 1199 B11R1.17 CCCNc1ccccc1Br 34a_100000210017_100000210303 [0,1,0,0,0,0|1,0,2]=4 1200 B11R1.17 CCCNc1ccccc1C 34a_100015192222_100000210303 [0,1,0,0,0,0|1,0,2]=4 1201 B11R1.17 CCCNc1ccccc1Cl 34a_100000185783_100000210303 [0,1,0,0,0,0|1,0,2]=4 1202 B11R1.17 CCCNc1ccccc1F 34a_100000210422_100000210303 [0,1,0,0,0,0|1,0,2]=4 1203 B11R1.17 CCCNc1ccccc1I 34a_100000210053_100000210303 [0,1,0,0,0,0|1,0,2]=4 1204 B11R1.17 CCCNc1ccccc1O 34a_100000185747_100000210303 [0,1,0,0,0,0|1,0,2]=4 1205 B11R1.17 CCCOc1cccc[n+]1[O-] 7a_100000211761_100000210303 [0,1,0,0,0,0|1,0,2]=4 1206 B11R1.17 CCCOc1ccccc1Br 34a_100000181306_100000210303 [0,1,0,0,0,0|0,0,2]=3 1207 B11R1.17 CCCOc1ccccc1Br 7a_100000181306_100000210303 [0,1,0,0,0,0|0,0,2]=3 1208 B11R1.17 CCCOc1ccccc1C 34a_100000210338_100000210303 [0,1,0,0,0,0|0,0,2]=3 1209 B11R1.17 CCCOc1ccccc1C 7a_100000210338_100000210303 [0,1,0,0,0,0|0,0,2]=3 1210 B11R1.17 CCCOc1ccccc1Cl 34a_100000210172_100000210303 [0,1,0,0,0,0|0,0,2]=3 1211 B11R1.17 CCCOc1ccccc1Cl 7a_100000210172_100000210303 [0,1,0,0,0,0|0,0,2]=3 1212 B11R1.17 CCCOc1ccccc1F 34a_100000210171_100000210303 [0,1,0,0,0,0|0,0,2]=3 1213 B11R1.17 CCCOc1ccccc1F 7a_100000210171_100000210303 [0,1,0,0,0,0|0,0,2]=3 1214 B11R1.17 CCCOc1ccccc1I 34a_100000739446_100000210303 [0,1,0,0,0,0|0,0,2]=3 1215 B11R1.17 CCCOc1ccccc1I 7a_100000739446_100000210303 [0,1,0,0,0,0|0,0,2]=3 1216 B11R1.17 CCCOc1ccccc1N 34a_100000185747_100000210303 [0,1,0,0,0,0|0,0,2]=3 1217 B11R1.17 CCCOc1ccccc1N 7a_100000185747_100000210303 [0,1,0,0,0,0|0,0,2]=3 1218 B11R1.17 CCCOc1ccccc1O 271570a_203496583355_100000174042 [0,1,0,0,0,0|0,0,2]=3 1219 B11R1.17 CCCOc1cccnc1Br 34a_100000744436_100000210303 [0,1,0,0,0,0|1,0,2]=4 1220 B11R1.17 CCCOc1cccnc1Br 7a_100000744436_100000210303 [0,1,0,0,0,0|1,0,2]=4 1221 B11R1.17 CCCOc1cccnc1C 34a_100000745507_100000210303 [0,1,0,0,0,0|1,0,2]=4 1222 B11R1.17 CCCOc1cccnc1C 7a_100000745507_100000210303 [0,1,0,0,0,0|1,0,2]=4 1223 B11R1.17 CCCOc1cccnc1Cl 34a_100000757616_100000210303 [0,1,0,0,0,0|1,0,2]=4 1224 B11R1.17 CCCOc1cccnc1Cl 7a_100000757616_100000210303 [0,1,0,0,0,0|1,0,2]=4 1225 B11R1.17 CCCOc1cccnc1F 34a_100000061740_100000210303 [0,1,0,0,0,0|1,0,2]=4 1226 B11R1.17 CCCOc1cccnc1F 7a_100000061740_100000210303 [0,1,0,0,0,0|1,0,2]=4 1227 B11R1.17 CCCOc1cccnc1I 34a_100000034122_100000210303 [0,1,0,0,0,0|1,0,2]=4 1228 B11R1.17 CCCOc1cccnc1I 7a_100000034122_100000210303 [0,1,0,0,0,0|1,0,2]=4 1229 B11R1.17 CCCOc1cccnc1N 34a_100000211975_100000210303 [0,1,0,0,0,0|1,0,2]=4 1230 B11R1.17 CCCOc1cccnc1N 7a_100000211975_100000210303 [0,1,0,0,0,0|1,0,2]=4 1231 B11R1.17 CCCOc1cccoc1=O 34a_100000077404_100000210303 [0,1,0,0,0,0|1,0,2]=4 1232 B11R1.17 CCCOc1cccoc1=O 7a_100000077404_100000210303 [0,1,0,0,0,0|1,0,2]=4 1233 B11R1.17 CCCOc1ccncc1Br 34a_100011996408_100000210303 [0,1,0,0,0,0|1,0,2]=4 1234 B11R1.17 CCCOc1ccncc1C 34a_100000694293_100000210303 [0,1,0,0,0,0|1,0,2]=4 1235 B11R1.17 CCCOc1ccncc1Cl 34a_100011997054_100000210303 [0,1,0,0,0,0|1,0,2]=4 1236 B11R1.17 CCCOc1ccncc1F 34a_200000081243_100000210303 [0,1,0,0,0,0|1,0,2]=4 1237 B11R1.17 CCCOc1cnccc1C 34a_100011997053_100000210303 [0,1,0,0,0,0|1,0,2]=4 1238 B11R1.17 CCCOc1cnccc1C 7a_100011997053_100000210303 [0,1,0,0,0,0|1,0,2]=4 1239 B11R1.17 CCCOc1cnccc1Cl 34a_100011996695_100000210303 [0,1,0,0,0,0|1,0,2]=4 1240 B11R1.17 CCCOc1cnccc1I 34a_100000050107_100000210303 [0,1,0,0,0,0|1,0,2]=4 1241 B11R1.17 CCCOc1cnccc1N 34a_100000753702_100000210303 [0,1,0,0,0,0|1,0,2]=4 1242 B11R1.17 CCCOc1coccc1=O 34a_100000060831_100000210303 [0,1,0,0,0,0|1,0,2]=4 1243 B11R1.17 CCCOc1ncccc1Cl 34a_100011290957_100000210303 [0,1,0,0,0,0|1,0,2]=4 1244 B11R1.17 CCCOc1ncccc1F 34a_100011219419_100000210303 [0,1,0,0,0,0|1,0,2]=4 1245 B11R1.17 CCCOc1ncccc1N 34a_100000746358_100000210303 [0,1,0,0,0,0|1,0,2]=4 1246 B11R1.17 CCCOc1ncccc1O 271570a_203496583355_200011465209 [0,1,0,0,0,0|1,0,2]=4 1247 B11R1.17 CCCSc1ccccc1Br 62a_100000210303_100000695589 [0,1,0,0,0,0|0,1,2]=4 1248 B11R1.17 CCCSc1ccccc1Br 62a_100000695589_100000210303 [0,1,0,0,0,0|0,1,2]=4 1249 B11R1.17 CCCSc1ccccc1C 62a_100000210303_100000210755 [0,1,0,0,0,0|0,1,2]=4 1250 B11R1.17 CCCSc1ccccc1C 62a_100000210755_100000210303 [0,1,0,0,0,0|0,1,2]=4 1251 B11R1.17 CCCSc1ccccc1Cl 62a_100000210303_100000764095 [0,1,0,0,0,0|0,1,2]=4 1252 B11R1.17 CCCSc1ccccc1Cl 62a_100000764095_100000210303 [0,1,0,0,0,0|0,1,2]=4 1253 B11R1.17 CCCSc1ccccc1F 62a_100000210303_100011215700 [0,1,0,0,0,0|0,1,2]=4 1254 B11R1.17 CCCSc1ccccc1F 62a_100011215700_100000210303 [0,1,0,0,0,0|0,1,2]=4 1255 B11R1.17 CCCSc1ccccc1N 62a_100000210017_100000210303 [0,1,0,0,0,0|0,1,2]=4 1256 B11R1.17 CCCSc1ccccc1N 62a_100000210303_100000210017 [0,1,0,0,0,0|0,1,2]=4 1257 B11R1.17 CCCSc1ccccc1O 62a_100000210303_100000739446 [0,1,0,0,0,0|0,1,2]=4 1258 B11R1.17 CCCSc1ccccc1O 62a_100000739446_100000210303 [0,1,0,0,0,0|0,1,2]=4 1259 B11R1.17 CNCCc1ccccc1Br 2230a_100000747383_200000210301 [0,1,0,0,0,0|2,0,1]=4 1260 B11R1.17 CNCCc1ccccc1Br 2230a_106832991635_100012161201 [0,1,0,0,0,0|2,0,1]=4 1261 B11R1.17 CNCCc1ccccc1Br 34a_100000747383_200000210301 [0,1,0,0,0,0|2,0,1]=4 1262 B11R1.17 CNCCc1ccccc1Br 34a_100102657272_100012161201 [0,1,0,0,0,0|2,0,1]=4 1263 B11R1.17 CNCCc1ccccc1Br 7a_106832991635_100012161201 [0,1,0,0,0,0|2,0,1]=4 1264 B11R1.17 CNCCc1ccccc1C 2230a_100000685071_200000210301 [0,1,0,0,0,0|2,0,1]=4 1265 B11R1.17 CNCCc1ccccc1C 2230a_106832991635_100011713688 [0,1,0,0,0,0|2,0,1]=4 1266 B11R1.17 CNCCc1ccccc1C 34a_100000685071_200000210301 [0,1,0,0,0,0|2,0,1]=4 1267 B11R1.17 CNCCc1ccccc1C 34a_100102657272_100011713688 [0,1,0,0,0,0|2,0,1]=4 1268 B11R1.17 CNCCc1ccccc1C 7a_106832991635_100011713688 [0,1,0,0,0,0|2,0,1]=4 1269 B11R1.17 CNCCc1ccccc1Cl 2230a_100011207228_200000210301 [0,1,0,0,0,0|2,0,1]=4 1270 B11R1.17 CNCCc1ccccc1Cl 2230a_106832991635_100011713703 [0,1,0,0,0,0|2,0,1]=4 1271 B11R1.17 CNCCc1ccccc1Cl 270004a_106832991635_200011713468 [0,1,0,0,0,0|2,0,1]=4 1272 B11R1.17 CNCCc1ccccc1Cl 34a_100011207228_200000210301 [0,1,0,0,0,0|2,0,1]=4 1273 B11R1.17 CNCCc1ccccc1Cl 34a_100102657272_100011713703 [0,1,0,0,0,0|2,0,1]=4 1274 B11R1.17 CNCCc1ccccc1Cl 7a_106832991635_100011713703 [0,1,0,0,0,0|2,0,1]=4 1275 B11R1.17 CNCCc1ccccc1F 2230a_100000185272_200000210301 [0,1,0,0,0,0|2,0,1]=4 1276 B11R1.17 CNCCc1ccccc1F 2230a_106832991635_100011713696 [0,1,0,0,0,0|2,0,1]=4 1277 B11R1.17 CNCCc1ccccc1F 34a_100000185272_200000210301 [0,1,0,0,0,0|2,0,1]=4 1278 B11R1.17 CNCCc1ccccc1F 34a_100102657272_100000720011 [0,1,0,0,0,0|2,0,1]=4 1279 B11R1.17 CNCCc1ccccc1F 7a_106832991635_100000720011 [0,1,0,0,0,0|2,0,1]=4 1280 B11R1.17 CNCCc1ccccc1O 34a_100011207237_200000210301 [0,1,0,0,0,0|2,0,1]=4 1281 B11R1.17 CNCCc1ccccc1O 34a_100102657272_100000722297 [0,1,0,0,0,0|2,0,1]=4 1282 B11R1.17 CNCCc1ccccc1O 7a_106832991635_100000722297 [0,1,0,0,0,0|2,0,1]=4 1283 B11R1.17 COCCc1ccccc1Br 34a_100000731337_200000210301 [0,1,0,0,0,0|2,0,1]=4 1284 B11R1.17 COCCc1ccccc1Br 34a_100138415774_100012161201 [0,1,0,0,0,0|2,0,1]=4 1285 B11R1.17 COCCc1ccccc1Br 7a_100000731337_200000210301 [0,1,0,0,0,0|2,0,1]=4 1286 B11R1.17 COCCc1ccccc1C 34a_100011220023_200000210301 [0,1,0,0,0,0|2,0,1]=4 1287 B11R1.17 COCCc1ccccc1C 34a_100138415774_100011713688 [0,1,0,0,0,0|2,0,1]=4 1288 B11R1.17 COCCc1ccccc1C 7a_100011220023_200000210301 [0,1,0,0,0,0|2,0,1]=4 1289 B11R1.17 COCCc1ccccc1Cl 34a_100011215284_200000210301 [0,1,0,0,0,0|2,0,1]=4 1290 B11R1.17 COCCc1ccccc1Cl 34a_100138415774_100011713703 [0,1,0,0,0,0|2,0,1]=4 1291 B11R1.17 COCCc1ccccc1Cl 7a_100011215284_200000210301 [0,1,0,0,0,0|2,0,1]=4 1292 B11R1.17 COCCc1ccccc1F 34a_100000753711_200000210301 [0,1,0,0,0,0|2,0,1]=4 1293 B11R1.17 COCCc1ccccc1F 34a_100138415774_100000720011 [0,1,0,0,0,0|2,0,1]=4 1294 B11R1.17 COCCc1ccccc1F 7a_100000753711_200000210301 [0,1,0,0,0,0|2,0,1]=4 1295 B11R1.17 COCCc1ccccc1I 34a_100010255290_200000210301 [0,1,0,0,0,0|2,0,1]=4 1296 B11R1.17 COCCc1ccccc1I 7a_100010255290_200000210301 [0,1,0,0,0,0|2,0,1]=4 1297 B11R1.17 COCCc1ccccc1N 34a_100011215289_200000210301 [0,1,0,0,0,0|2,0,1]=4 1298 B11R1.17 COCCc1ccccc1O 34a_100138415774_100000722297 [0,1,0,0,0,0|2,0,1]=4 1299 B11R1.17 COCOc1ccccc1O 271570a_203496583355_200000230759 [0,1,0,0,0,0|1,0,1]=3 1300 B11R1.17 COCOc1cccnc1O 271570a_203496583355_100011935308 [0,1,0,0,0,0|2,0,1]=4 1301 B11R1.17 COCSc1ccccc1Br 62a_100000695589_100000766300 [0,1,0,0,0,0|1,1,1]=4 1302 B11R1.17 COCSc1ccccc1Br 62a_100000766300_100000695589 [0,1,0,0,0,0|1,1,1]=4 1303 B11R1.17 COCSc1ccccc1C 62a_100000210755_100000766300 [0,1,0,0,0,0|1,1,1]=4 1304 B11R1.17 COCSc1ccccc1C 62a_100000766300_100000210755 [0,1,0,0,0,0|1,1,1]=4 1305 B11R1.17 COCSc1ccccc1Cl 62a_100000764095_100000766300 [0,1,0,0,0,0|1,1,1]=4 1306 B11R1.17 COCSc1ccccc1Cl 62a_100000766300_100000764095 [0,1,0,0,0,0|1,1,1]=4 1307 B11R1.17 COCSc1ccccc1F 62a_100000766300_100011215700 [0,1,0,0,0,0|1,1,1]=4 1308 B11R1.17 COCSc1ccccc1F 62a_100011215700_100000766300 [0,1,0,0,0,0|1,1,1]=4 1309 B11R1.17 COCSc1ccccc1N 62a_100000210017_100000766300 [0,1,0,0,0,0|1,1,1]=4 1310 B11R1.17 COCSc1ccccc1N 62a_100000766300_100000210017 [0,1,0,0,0,0|1,1,1]=4 1311 B11R1.17 COCSc1ccccc1O 62a_100000739446_100000766300 [0,1,0,0,0,0|1,1,1]=4 1312 B11R1.17 COCSc1ccccc1O 62a_100000766300_100000739446 [0,1,0,0,0,0|1,1,1]=4 1313 B11R1.17 CSCCc1ccccc1Br 62a_100012161201_200000210301 [0,1,0,0,0,0|2,0,1]=4 1314 B11R1.17 CSCCc1ccccc1Br 62a_200000210301_100012161201 [0,1,0,0,0,0|2,0,1]=4 1315 B11R1.17 CSCCc1ccccc1C 62a_100011713688_200000210301 [0,1,0,0,0,0|2,0,1]=4 1316 B11R1.17 CSCCc1ccccc1C 62a_200000210301_100011713688 [0,1,0,0,0,0|2,0,1]=4 1317 B11R1.17 CSCCc1ccccc1Cl 62a_100011713703_200000210301 [0,1,0,0,0,0|2,0,1]=4 1318 B11R1.17 CSCCc1ccccc1Cl 62a_200000210301_100011713703 [0,1,0,0,0,0|2,0,1]=4 1319 B11R1.17 CSCCc1ccccc1F 62a_100011713696_200000210301 [0,1,0,0,0,0|2,0,1]=4 1320 B11R1.17 CSCCc1ccccc1F 62a_200000210301_100011713696 [0,1,0,0,0,0|2,0,1]=4 1321 B11R1.17 CSCCc1ccccc1O 62a_100000722297_200000210301 [0,1,0,0,0,0|2,0,1]=4 1322 B11R1.17 CSCCc1ccccc1O 62a_200000210301_100000722297 [0,1,0,0,0,0|2,0,1]=4 1323 B11R1.17 CSCNc1ccccc1Br 34a_100000210017_100011218213 [0,1,0,0,0,0|2,0,1]=4 1324 B11R1.17 CSCNc1ccccc1C 34a_100015192222_100011218213 [0,1,0,0,0,0|2,0,1]=4 1325 B11R1.17 CSCNc1ccccc1Cl 34a_100000185783_100011218213 [0,1,0,0,0,0|2,0,1]=4 1326 B11R1.17 CSCNc1ccccc1F 34a_100000210422_100011218213 [0,1,0,0,0,0|2,0,1]=4 1327 B11R1.17 CSCNc1ccccc1I 34a_100000210053_100011218213 [0,1,0,0,0,0|2,0,1]=4 1328 B11R1.17 CSCNc1ccccc1O 34a_100000185747_100011218213 [0,1,0,0,0,0|2,0,1]=4 1329 B11R1.17 CSCOc1ccccc1Br 34a_100000181306_100011218213 [0,1,0,0,0,0|1,0,1]=3 1330 B11R1.17 CSCOc1ccccc1C 34a_100000210338_100011218213 [0,1,0,0,0,0|1,0,1]=3 1331 B11R1.17 CSCOc1ccccc1Cl 34a_100000210172_100011218213 [0,1,0,0,0,0|1,0,1]=3 1332 B11R1.17 CSCOc1ccccc1F 34a_100000210171_100011218213 [0,1,0,0,0,0|1,0,1]=3 1333 B11R1.17 CSCOc1ccccc1I 34a_100000739446_100011218213 [0,1,0,0,0,0|1,0,1]=3 1334 B11R1.17 CSCOc1ccccc1N 34a_100000185747_100011218213 [0,1,0,0,0,0|1,0,1]=3 1335 B11R1.17 CSCOc1cccnc1Br 34a_100000744436_100011218213 [0,1,0,0,0,0|2,0,1]=4 1336 B11R1.17 CSCOc1cccnc1C 34a_100000745507_100011218213 [0,1,0,0,0,0|2,0,1]=4 1337 B11R1.17 CSCOc1cccnc1Cl 34a_100000757616_100011218213 [0,1,0,0,0,0|2,0,1]=4 1338 B11R1.17 CSCOc1cccnc1F 34a_100000061740_100011218213 [0,1,0,0,0,0|2,0,1]=4 1339 B11R1.17 CSCOc1cccnc1I 34a_100000034122_100011218213 [0,1,0,0,0,0|2,0,1]=4 1340 B11R1.17 CSCOc1cccnc1N 34a_100000211975_100011218213 [0,1,0,0,0,0|2,0,1]=4 1341 B11R1.17 CSCOc1cccoc1=O 34a_100000077404_100011218213 [0,1,0,0,0,0|2,0,1]=4 1342 B11R1.17 CSCOc1ccncc1Br 34a_100011996408_100011218213 [0,1,0,0,0,0|2,0,1]=4 1343 B11R1.17 CSCOc1ccncc1C 34a_100000694293_100011218213 [0,1,0,0,0,0|2,0,1]=4 1344 B11R1.17 CSCOc1ccncc1Cl 34a_100011997054_100011218213 [0,1,0,0,0,0|2,0,1]=4 1345 B11R1.17 CSCOc1ccncc1F 34a_200000081243_100011218213 [0,1,0,0,0,0|2,0,1]=4 1346 B11R1.17 CSCOc1cnccc1C 34a_100011997053_100011218213 [0,1,0,0,0,0|2,0,1]=4 1347 B11R1.17 CSCOc1cnccc1Cl 34a_100011996695_100011218213 [0,1,0,0,0,0|2,0,1]=4 1348 B11R1.17 CSCOc1cnccc1I 34a_100000050107_100011218213 [0,1,0,0,0,0|2,0,1]=4 1349 B11R1.17 CSCOc1cnccc1N 34a_100000753702_100011218213 [0,1,0,0,0,0|2,0,1]=4 1350 B11R1.17 CSCOc1coccc1=O 34a_100000060831_100011218213 [0,1,0,0,0,0|2,0,1]=4 1351 B11R1.17 CSCOc1ncccc1Cl 34a_100011290957_100011218213 [0,1,0,0,0,0|2,0,1]=4 1352 B11R1.17 CSCOc1ncccc1F 34a_100011219419_100011218213 [0,1,0,0,0,0|2,0,1]=4 1353 B11R1.17 CSCOc1ncccc1N 34a_100000746358_100011218213 [0,1,0,0,0,0|2,0,1]=4 1354 B11R1.17 CSCSc1ccccc1Br 62a_100000695589_100011218213 [0,1,0,0,0,0|1,1,1]=4 1355 B11R1.17 CSCSc1ccccc1Br 62a_100011218213_100000695589 [0,1,0,0,0,0|1,1,1]=4 1356 B11R1.17 CSCSc1ccccc1C 62a_100000210755_100011218213 [0,1,0,0,0,0|1,1,1]=4 1357 B11R1.17 CSCSc1ccccc1C 62a_100011218213_100000210755 [0,1,0,0,0,0|1,1,1]=4 1358 B11R1.17 CSCSc1ccccc1Cl 62a_100000764095_100011218213 [0,1,0,0,0,0|1,1,1]=4 1359 B11R1.17 CSCSc1ccccc1Cl 62a_100011218213_100000764095 [0,1,0,0,0,0|1,1,1]=4 1360 B11R1.17 CSCSc1ccccc1F 62a_100011215700_100011218213 [0,1,0,0,0,0|1,1,1]=4 1361 B11R1.17 CSCSc1ccccc1F 62a_100011218213_100011215700 [0,1,0,0,0,0|1,1,1]=4 1362 B11R1.17 CSCSc1ccccc1N 62a_100000210017_100011218213 [0,1,0,0,0,0|1,1,1]=4 1363 B11R1.17 CSCSc1ccccc1N 62a_100011218213_100000210017 [0,1,0,0,0,0|1,1,1]=4 1364 B11R1.17 CSCSc1ccccc1O 62a_100000739446_100011218213 [0,1,0,0,0,0|1,1,1]=4 1365 B11R1.17 CSCSc1ccccc1O 62a_100011218213_100000739446 [0,1,0,0,0,0|1,1,1]=4 1366 B11R1.17 C[n+]1ccccc1SCC=O 62a_200015260668_100000212160 [0,1,0,0,0,0|2,1,0]=4 1367 B11R1.17 Cc1ccccc1CCN[13CH3] 2230a_100000685071_200025704644 [0,1,0,0,0,0|2,0,1]=4 1368 B11R1.17 Cc1ccccc1CCN[13CH3] 34a_100000685071_200025704644 [0,1,0,0,0,0|2,0,1]=4 1369 B11R1.17 Cc1ccccc1CCO[13CH3] 34a_100011220023_200025704644 [0,1,0,0,0,0|2,0,1]=4 1370 B11R1.17 Cc1ccccc1CCO[13CH3] 7a_100011220023_200025704644 [0,1,0,0,0,0|2,0,1]=4 1371 B11R1.17 Cc1ccccc1CCS[13CH3] 62a_100011713688_200025704644 [0,1,0,0,0,0|2,0,1]=4 1372 B11R1.17 Cc1ccccc1CCS[13CH3] 62a_200025704644_100011713688 [0,1,0,0,0,0|2,0,1]=4 1373 B11R1.17 Cc1ccccc1NCC=O 34a_100015192222_200009817547 [0,1,0,0,0,0|2,0,0]=3 1374 B11R1.17 Cc1ccccc1NCCF 34a_100015192222_100011217306 [0,1,0,0,0,0|2,0,1]=4 1375 B11R1.17 Cc1ccccc1NCCO 34a_100015192222_100000211926 [0,1,0,0,0,0|2,0,1]=4 1376 B11R1.17 Cc1ccccc1OCC#N 7a_100000210338_100011215382 [0,1,0,0,0,0|1,0,1]=3 1377 B11R1.17 Cc1ccccc1OCC=O 34a_100000210338_200009817547 [0,1,0,0,0,0|1,0,0]=2 1378 B11R1.17 Cc1ccccc1OCC=O 7a_100000210338_200015260668 [0,1,0,0,0,0|1,0,0]=2 1379 B11R1.17 Cc1ccccc1OCCF 34a_100000210338_100011217306 [0,1,0,0,0,0|1,0,1]=3 1380 B11R1.17 Cc1ccccc1OCCF 7a_100000210338_100011217306 [0,1,0,0,0,0|1,0,1]=3 1381 B11R1.17 Cc1ccccc1OCCO 34a_100000210338_100000211926 [0,1,0,0,0,0|1,0,1]=3 1382 B11R1.17 Cc1ccccc1OCCO 7a_100000210338_100000211926 [0,1,0,0,0,0|1,0,1]=3 1383 B11R1.17 Cc1ccccc1SCC#N 62a_100000210755_100011215382 [0,1,0,0,0,0|1,1,1]=4 1384 B11R1.17 Cc1ccccc1SCC#N 62a_100011215382_100000210755 [0,1,0,0,0,0|1,1,1]=4 1385 B11R1.17 Cc1ccccc1SCC=O 62a_100000210755_200015260668 [0,1,0,0,0,0|1,1,0]=3 1386 B11R1.17 Cc1ccccc1SCC=O 62a_200015260668_100000210755 [0,1,0,0,0,0|1,1,0]=3 1387 B11R1.17 Cc1ccccc1SCCF 62a_100000210755_100011217306 [0,1,0,0,0,0|1,1,1]=4 1388 B11R1.17 Cc1ccccc1SCCF 62a_100011217306_100000210755 [0,1,0,0,0,0|1,1,1]=4 1389 B11R1.17 Cc1ccccc1SCCO 62a_100000210755_100000211926 [0,1,0,0,0,0|1,1,1]=4 1390 B11R1.17 Cc1ccccc1SCCO 62a_100000211926_100000210755 [0,1,0,0,0,0|1,1,1]=4 1391 B11R1.17 Cc1cccnc1SCC=O 62a_100000751373_200015260668 [0,1,0,0,0,0|2,1,0]=4 1392 B11R1.17 Cc1cccnc1SCC=O 62a_200015260668_100000751373 [0,1,0,0,0,0|2,1,0]=4 1393 B11R1.17 Cc1ccncc1OCC#N 7a_100011997053_100011215382 [0,1,0,0,0,0|2,0,1]=4 1394 B11R1.17 Cc1ccncc1OCC=O 34a_100011997053_200009817547 [0,1,0,0,0,0|2,0,0]=3 1395 B11R1.17 Cc1ccncc1OCC=O 7a_100011997053_200015260668 [0,1,0,0,0,0|2,0,0]=3 1396 B11R1.17 Cc1ccncc1OCCF 34a_100011997053_100011217306 [0,1,0,0,0,0|2,0,1]=4 1397 B11R1.17 Cc1ccncc1OCCF 7a_100011997053_100011217306 [0,1,0,0,0,0|2,0,1]=4 1398 B11R1.17 Cc1ccncc1OCCO 34a_100011997053_100000211926 [0,1,0,0,0,0|2,0,1]=4 1399 B11R1.17 Cc1ccncc1OCCO 7a_100011997053_100000211926 [0,1,0,0,0,0|2,0,1]=4 1400 B11R1.17 Cc1ccncc1SCC=O 62a_100000761580_200015260668 [0,1,0,0,0,0|2,1,0]=4 1401 B11R1.17 Cc1ccncc1SCC=O 62a_200015260668_100000761580 [0,1,0,0,0,0|2,1,0]=4 1402 B11R1.17 Cc1cnccc1OCC=O 34a_100000694293_200009817547 [0,1,0,0,0,0|2,0,0]=3 1403 B11R1.17 Cc1cnccc1OCCF 34a_100000694293_100011217306 [0,1,0,0,0,0|2,0,1]=4 1404 B11R1.17 Cc1cnccc1OCCO 34a_100000694293_100000211926 [0,1,0,0,0,0|2,0,1]=4 1405 B11R1.17 Cc1cnccc1SCC=O 62a_100000765111_200015260668 [0,1,0,0,0,0|2,1,0]=4 1406 B11R1.17 Cc1cnccc1SCC=O 62a_200015260668_100000765111 [0,1,0,0,0,0|2,1,0]=4 1407 B11R1.17 Cc1ncccc1OCC#N 7a_100000745507_100011215382 [0,1,0,0,0,0|2,0,1]=4 1408 B11R1.17 Cc1ncccc1OCC=O 34a_100000745507_200009817547 [0,1,0,0,0,0|2,0,0]=3 1409 B11R1.17 Cc1ncccc1OCC=O 7a_100000745507_200015260668 [0,1,0,0,0,0|2,0,0]=3 1410 B11R1.17 Cc1ncccc1OCCF 34a_100000745507_100011217306 [0,1,0,0,0,0|2,0,1]=4 1411 B11R1.17 Cc1ncccc1OCCF 7a_100000745507_100011217306 [0,1,0,0,0,0|2,0,1]=4 1412 B11R1.17 Cc1ncccc1OCCO 34a_100000745507_100000211926 [0,1,0,0,0,0|2,0,1]=4 1413 B11R1.17 Cc1ncccc1OCCO 7a_100000745507_100000211926 [0,1,0,0,0,0|2,0,1]=4 1414 B11R1.17 Cc1ncccc1SCC=O 62a_100000751574_200015260668 [0,1,0,0,0,0|2,1,0]=4 1415 B11R1.17 Cc1ncccc1SCC=O 62a_200015260668_100000751574 [0,1,0,0,0,0|2,1,0]=4 1416 B11R1.17 Cc1nccnc1OCC=O 34a_100000766352_200009817547 [0,1,0,0,0,0|3,0,0]=4 1417 B11R1.17 FCCNc1ccccc1Br 34a_100000210017_100011217306 [0,1,0,0,0,0|2,0,1]=4 1418 B11R1.17 FCCNc1ccccc1Cl 34a_100000185783_100011217306 [0,1,0,0,0,0|2,0,1]=4 1419 B11R1.17 FCCNc1ccccc1F 34a_100000210422_100011217306 [0,1,0,0,0,0|2,0,1]=4 1420 B11R1.17 FCCNc1ccccc1I 34a_100000210053_100011217306 [0,1,0,0,0,0|2,0,1]=4 1421 B11R1.17 FCCOc1ccccc1Br 34a_100000181306_100011217306 [0,1,0,0,0,0|1,0,1]=3 1422 B11R1.17 FCCOc1ccccc1Br 7a_100000181306_100011217306 [0,1,0,0,0,0|1,0,1]=3 1423 B11R1.17 FCCOc1ccccc1Cl 34a_100000210172_100011217306 [0,1,0,0,0,0|1,0,1]=3 1424 B11R1.17 FCCOc1ccccc1Cl 7a_100000210172_100011217306 [0,1,0,0,0,0|1,0,1]=3 1425 B11R1.17 FCCOc1ccccc1F 34a_100000210171_100011217306 [0,1,0,0,0,0|1,0,1]=3 1426 B11R1.17 FCCOc1ccccc1F 7a_100000210171_100011217306 [0,1,0,0,0,0|1,0,1]=3 1427 B11R1.17 FCCOc1ccccc1I 34a_100000739446_100011217306 [0,1,0,0,0,0|1,0,1]=3 1428 B11R1.17 FCCOc1ccccc1I 7a_100000739446_100011217306 [0,1,0,0,0,0|1,0,1]=3 1429 B11R1.17 FCCOc1cccnc1Br 34a_100000744436_100011217306 [0,1,0,0,0,0|2,0,1]=4 1430 B11R1.17 FCCOc1cccnc1Br 7a_100000744436_100011217306 [0,1,0,0,0,0|2,0,1]=4 1431 B11R1.17 FCCOc1cccnc1Cl 34a_100000757616_100011217306 [0,1,0,0,0,0|2,0,1]=4 1432 B11R1.17 FCCOc1cccnc1Cl 7a_100000757616_100011217306 [0,1,0,0,0,0|2,0,1]=4 1433 B11R1.17 FCCOc1cccnc1F 34a_100000061740_100011217306 [0,1,0,0,0,0|2,0,1]=4 1434 B11R1.17 FCCOc1cccnc1F 7a_100000061740_100011217306 [0,1,0,0,0,0|2,0,1]=4 1435 B11R1.17 FCCOc1cccnc1I 34a_100000034122_100011217306 [0,1,0,0,0,0|2,0,1]=4 1436 B11R1.17 FCCOc1cccnc1I 7a_100000034122_100011217306 [0,1,0,0,0,0|2,0,1]=4 1437 B11R1.17 FCCOc1ccncc1Br 34a_100011996408_100011217306 [0,1,0,0,0,0|2,0,1]=4 1438 B11R1.17 FCCOc1ccncc1Cl 34a_100011997054_100011217306 [0,1,0,0,0,0|2,0,1]=4 1439 B11R1.17 FCCOc1ccncc1F 34a_200000081243_100011217306 [0,1,0,0,0,0|2,0,1]=4 1440 B11R1.17 FCCOc1cnccc1Cl 34a_100011996695_100011217306 [0,1,0,0,0,0|2,0,1]=4 1441 B11R1.17 FCCOc1cnccc1I 34a_100000050107_100011217306 [0,1,0,0,0,0|2,0,1]=4 1442 B11R1.17 FCCOc1ncccc1Cl 34a_100011290957_100011217306 [0,1,0,0,0,0|2,0,1]=4 1443 B11R1.17 FCCOc1ncccc1F 34a_100011219419_100011217306 [0,1,0,0,0,0|2,0,1]=4 1444 B11R1.17 FCCSc1ccccc1Br 62a_100000695589_100011217306 [0,1,0,0,0,0|1,1,1]=4 1445 B11R1.17 FCCSc1ccccc1Br 62a_100011217306_100000695589 [0,1,0,0,0,0|1,1,1]=4 1446 B11R1.17 FCCSc1ccccc1Cl 62a_100000764095_100011217306 [0,1,0,0,0,0|1,1,1]=4 1447 B11R1.17 FCCSc1ccccc1Cl 62a_100011217306_100000764095 [0,1,0,0,0,0|1,1,1]=4 1448 B11R1.17 FCCSc1ccccc1F 62a_100011215700_100011217306 [0,1,0,0,0,0|1,1,1]=4 1449 B11R1.17 FCCSc1ccccc1F 62a_100011217306_100011215700 [0,1,0,0,0,0|1,1,1]=4 1450 B11R1.17 N#CCOc1cccc[n+]1[O-] 7a_100000211761_100011215382 [0,1,0,0,0,0|2,0,1]=4 1451 B11R1.17 N#CCOc1ccccc1Br 7a_100000181306_100011215382 [0,1,0,0,0,0|1,0,1]=3 1452 B11R1.17 N#CCOc1ccccc1Cl 7a_100000210172_100011215382 [0,1,0,0,0,0|1,0,1]=3 1453 B11R1.17 N#CCOc1ccccc1F 7a_100000210171_100011215382 [0,1,0,0,0,0|1,0,1]=3 1454 B11R1.17 N#CCOc1ccccc1I 7a_100000739446_100011215382 [0,1,0,0,0,0|1,0,1]=3 1455 B11R1.17 N#CCOc1ccccc1N 7a_100000185747_100011215382 [0,1,0,0,0,0|1,0,1]=3 1456 B11R1.17 N#CCOc1ccccc1O 271570a_203496583355_200000173881 [0,1,0,0,0,0|1,0,1]=3 1457 B11R1.17 N#CCOc1cccnc1Br 7a_100000744436_100011215382 [0,1,0,0,0,0|2,0,1]=4 1458 B11R1.17 N#CCOc1cccnc1Cl 7a_100000757616_100011215382 [0,1,0,0,0,0|2,0,1]=4 1459 B11R1.17 N#CCOc1cccnc1F 7a_100000061740_100011215382 [0,1,0,0,0,0|2,0,1]=4 1460 B11R1.17 N#CCOc1cccnc1I 7a_100000034122_100011215382 [0,1,0,0,0,0|2,0,1]=4 1461 B11R1.17 N#CCOc1cccnc1N 7a_100000211975_100011215382 [0,1,0,0,0,0|2,0,1]=4 1462 B11R1.17 N#CCOc1cccoc1=O 7a_100000077404_100011215382 [0,1,0,0,0,0|2,0,1]=4 1463 B11R1.17 N#CCSc1ccccc1Br 62a_100000695589_100011215382 [0,1,0,0,0,0|1,1,1]=4 1464 B11R1.17 N#CCSc1ccccc1Br 62a_100011215382_100000695589 [0,1,0,0,0,0|1,1,1]=4 1465 B11R1.17 N#CCSc1ccccc1Cl 62a_100000764095_100011215382 [0,1,0,0,0,0|1,1,1]=4 1466 B11R1.17 N#CCSc1ccccc1Cl 62a_100011215382_100000764095 [0,1,0,0,0,0|1,1,1]=4 1467 B11R1.17 N#CCSc1ccccc1F 62a_100011215382_100011215700 [0,1,0,0,0,0|1,1,1]=4 1468 B11R1.17 N#CCSc1ccccc1F 62a_100011215700_100011215382 [0,1,0,0,0,0|1,1,1]=4 1469 B11R1.17 N#CCSc1ccccc1N 62a_100000210017_100011215382 [0,1,0,0,0,0|1,1,1]=4 1470 B11R1.17 N#CCSc1ccccc1N 62a_100011215382_100000210017 [0,1,0,0,0,0|1,1,1]=4 1471 B11R1.17 N#CCSc1ccccc1O 62a_100000739446_100011215382 [0,1,0,0,0,0|1,1,1]=4 1472 B11R1.17 N#CCSc1ccccc1O 62a_100011215382_100000739446 [0,1,0,0,0,0|1,1,1]=4 1473 B11R1.17 NCCOc1ccccc1O 271570a_203496583355_100000744007 [0,1,0,0,0,0|1,0,1]=3 1474 B11R1.17 Nc1ccccc1OCC=O 34a_100000185747_200009817547 [0,1,0,0,0,0|1,0,0]=2 1475 B11R1.17 Nc1ccccc1OCC=O 7a_100000185747_200015260668 [0,1,0,0,0,0|1,0,0]=2 1476 B11R1.17 Nc1ccccc1OCCF 34a_100000185747_100011217306 [0,1,0,0,0,0|1,0,1]=3 1477 B11R1.17 Nc1ccccc1OCCF 7a_100000185747_100011217306 [0,1,0,0,0,0|1,0,1]=3 1478 B11R1.17 Nc1ccccc1OCCO 34a_100000185747_100000211926 [0,1,0,0,0,0|1,0,1]=3 1479 B11R1.17 Nc1ccccc1OCCO 7a_100000185747_100000211926 [0,1,0,0,0,0|1,0,1]=3 1480 B11R1.17 Nc1ccccc1SCC=O 62a_100000210017_200015260668 [0,1,0,0,0,0|1,1,0]=3 1481 B11R1.17 Nc1ccccc1SCC=O 62a_200015260668_100000210017 [0,1,0,0,0,0|1,1,0]=3 1482 B11R1.17 Nc1ccccc1SCCF 62a_100000210017_100011217306 [0,1,0,0,0,0|1,1,1]=4 1483 B11R1.17 Nc1ccccc1SCCF 62a_100011217306_100000210017 [0,1,0,0,0,0|1,1,1]=4 1484 B11R1.17 Nc1ccccc1SCCO 62a_100000210017_100000211926 [0,1,0,0,0,0|1,1,1]=4 1485 B11R1.17 Nc1ccccc1SCCO 62a_100000211926_100000210017 [0,1,0,0,0,0|1,1,1]=4 1486 B11R1.17 Nc1cccnc1OCC=O 34a_100000746358_200009817547 [0,1,0,0,0,0|2,0,0]=3 1487 B11R1.17 Nc1cccnc1OCCF 34a_100000746358_100011217306 [0,1,0,0,0,0|2,0,1]=4 1488 B11R1.17 Nc1cccnc1OCCO 34a_100000746358_100000211926 [0,1,0,0,0,0|2,0,1]=4 1489 B11R1.17 Nc1cccnc1SCC=O 62a_100000688686_200015260668 [0,1,0,0,0,0|2,1,0]=4 1490 B11R1.17 Nc1cccnc1SCC=O 62a_200015260668_100000688686 [0,1,0,0,0,0|2,1,0]=4 1491 B11R1.17 Nc1ccncc1OCC=O 34a_100000753702_200009817547 [0,1,0,0,0,0|2,0,0]=3 1492 B11R1.17 Nc1ccncc1OCCF 34a_100000753702_100011217306 [0,1,0,0,0,0|2,0,1]=4 1493 B11R1.17 Nc1ccncc1OCCO 34a_100000753702_100000211926 [0,1,0,0,0,0|2,0,1]=4 1494 B11R1.17 Nc1ccncc1SCC=O 62a_100000047001_200015260668 [0,1,0,0,0,0|2,1,0]=4 1495 B11R1.17 Nc1ccncc1SCC=O 62a_200015260668_100000047001 [0,1,0,0,0,0|2,1,0]=4 1496 B11R1.17 Nc1cnccc1SCC=O 62a_100000756074_200015260668 [0,1,0,0,0,0|2,1,0]=4 1497 B11R1.17 Nc1cnccc1SCC=O 62a_200015260668_100000756074 [0,1,0,0,0,0|2,1,0]=4 1498 B11R1.17 Nc1ncccc1OCC=O 34a_100000211975_200009817547 [0,1,0,0,0,0|2,0,0]=3 1499 B11R1.17 Nc1ncccc1OCC=O 7a_100000211975_200015260668 [0,1,0,0,0,0|2,0,0]=3 1500 B11R1.17 Nc1ncccc1OCCF 34a_100000211975_100011217306 [0,1,0,0,0,0|2,0,1]=4 1501 B11R1.17 Nc1ncccc1OCCF 7a_100000211975_100011217306 [0,1,0,0,0,0|2,0,1]=4 1502 B11R1.17 Nc1ncccc1OCCO 34a_100000211975_100000211926 [0,1,0,0,0,0|2,0,1]=4 1503 B11R1.17 Nc1ncccc1OCCO 7a_100000211975_100000211926 [0,1,0,0,0,0|2,0,1]=4 1504 B11R1.17 Nc1ncccc1SCC=O 62a_100000045569_200015260668 [0,1,0,0,0,0|2,1,0]=4 1505 B11R1.17 Nc1ncccc1SCC=O 62a_200015260668_100000045569 [0,1,0,0,0,0|2,1,0]=4 1506 B11R1.17 Nc1ncncc1OCC=O 7a_100000112926_200015260668 [0,1,0,0,0,0|3,0,0]=4 1507 B11R1.17 O=CCCc1ccccc1O 271570a_203496583355_100011713448 [0,1,0,0,0,0|2,0,0]=3 1508 B11R1.17 O=CCNc1ccccc1Br 34a_100000210017_200009817547 [0,1,0,0,0,0|2,0,0]=3 1509 B11R1.17 O=CCNc1ccccc1Cl 34a_100000185783_200009817547 [0,1,0,0,0,0|2,0,0]=3 1510 B11R1.17 O=CCNc1ccccc1F 34a_100000210422_200009817547 [0,1,0,0,0,0|2,0,0]=3 1511 B11R1.17 O=CCNc1ccccc1I 34a_100000210053_200009817547 [0,1,0,0,0,0|2,0,0]=3 1512 B11R1.17 O=CCNc1ccccc1O 34a_100000185747_200009817547 [0,1,0,0,0,0|2,0,0]=3 1513 B11R1.17 O=CCOc1cccc[n+]1[O-] 7a_100000211761_200015260668 [0,1,0,0,0,0|2,0,0]=3 1514 B11R1.17 O=CCOc1ccccc1Br 34a_100000181306_200009817547 [0,1,0,0,0,0|1,0,0]=2 1515 B11R1.17 O=CCOc1ccccc1Br 7a_100000181306_200015260668 [0,1,0,0,0,0|1,0,0]=2 1516 B11R1.17 O=CCOc1ccccc1Cl 34a_100000210172_200009817547 [0,1,0,0,0,0|1,0,0]=2 1517 B11R1.17 O=CCOc1ccccc1Cl 7a_100000210172_200015260668 [0,1,0,0,0,0|1,0,0]=2 1518 B11R1.17 O=CCOc1ccccc1F 34a_100000210171_200009817547 [0,1,0,0,0,0|1,0,0]=2 1519 B11R1.17 O=CCOc1ccccc1F 7a_100000210171_200015260668 [0,1,0,0,0,0|1,0,0]=2 1520 B11R1.17 O=CCOc1ccccc1I 34a_100000739446_200009817547 [0,1,0,0,0,0|1,0,0]=2 1521 B11R1.17 O=CCOc1ccccc1I 7a_100000739446_200015260668 [0,1,0,0,0,0|1,0,0]=2 1522 B11R1.17 O=CCOc1cccnc1Br 34a_100000744436_200009817547 [0,1,0,0,0,0|2,0,0]=3 1523 B11R1.17 O=CCOc1cccnc1Br 7a_100000744436_200015260668 [0,1,0,0,0,0|2,0,0]=3 1524 B11R1.17 O=CCOc1cccnc1Cl 34a_100000757616_200009817547 [0,1,0,0,0,0|2,0,0]=3 1525 B11R1.17 O=CCOc1cccnc1Cl 7a_100000757616_200015260668 [0,1,0,0,0,0|2,0,0]=3 1526 B11R1.17 O=CCOc1cccnc1F 34a_100000061740_200009817547 [0,1,0,0,0,0|2,0,0]=3 1527 B11R1.17 O=CCOc1cccnc1F 7a_100000061740_200015260668 [0,1,0,0,0,0|2,0,0]=3 1528 B11R1.17 O=CCOc1cccnc1I 34a_100000034122_200009817547 [0,1,0,0,0,0|2,0,0]=3 1529 B11R1.17 O=CCOc1cccnc1I 7a_100000034122_200015260668 [0,1,0,0,0,0|2,0,0]=3 1530 B11R1.17 O=CCOc1cccoc1=O 34a_100000077404_200009817547 [0,1,0,0,0,0|2,0,0]=3 1531 B11R1.17 O=CCOc1cccoc1=O 7a_100000077404_200015260668 [0,1,0,0,0,0|2,0,0]=3 1532 B11R1.17 O=CCOc1ccncc1Br 34a_100011996408_200009817547 [0,1,0,0,0,0|2,0,0]=3 1533 B11R1.17 O=CCOc1ccncc1Cl 34a_100011997054_200009817547 [0,1,0,0,0,0|2,0,0]=3 1534 B11R1.17 O=CCOc1ccncc1F 34a_200000081243_200009817547 [0,1,0,0,0,0|2,0,0]=3 1535 B11R1.17 O=CCOc1cnccc1Cl 34a_100011996695_200009817547 [0,1,0,0,0,0|2,0,0]=3 1536 B11R1.17 O=CCOc1cnccc1I 34a_100000050107_200009817547 [0,1,0,0,0,0|2,0,0]=3 1537 B11R1.17 O=CCOc1coccc1=O 34a_100000060831_200009817547 [0,1,0,0,0,0|2,0,0]=3 1538 B11R1.17 O=CCOc1ncccc1Cl 34a_100011290957_200009817547 [0,1,0,0,0,0|2,0,0]=3 1539 B11R1.17 O=CCOc1ncccc1F 34a_100011219419_200009817547 [0,1,0,0,0,0|2,0,0]=3 1540 B11R1.17 O=CCSc1c[nH]ccc1=O 62a_100009998708_200015260668 [0,1,0,0,0,0|2,1,0]=4 1541 B11R1.17 O=CCSc1c[nH]ccc1=O 62a_200015260668_100009998708 [0,1,0,0,0,0|2,1,0]=4 1542 B11R1.17 O=CCSc1c[nH]ccc1=S 62a_200012280681_200015260668 [0,1,0,0,0,0|2,1,0]=4 1543 B11R1.17 O=CCSc1c[nH]ccc1=S 62a_200015260668_200012280681 [0,1,0,0,0,0|2,1,0]=4 1544 B11R1.17 O=CCSc1cccc[n+]1[O-] 62a_200015260668_200000042595 [0,1,0,0,0,0|2,1,0]=4 1545 B11R1.17 O=CCSc1ccccc1Br 62a_100000695589_200015260668 [0,1,0,0,0,0|1,1,0]=3 1546 B11R1.17 O=CCSc1ccccc1Br 62a_200015260668_100000695589 [0,1,0,0,0,0|1,1,0]=3 1547 B11R1.17 O=CCSc1ccccc1Cl 62a_100000764095_200015260668 [0,1,0,0,0,0|1,1,0]=3 1548 B11R1.17 O=CCSc1ccccc1Cl 62a_200015260668_100000764095 [0,1,0,0,0,0|1,1,0]=3 1549 B11R1.17 O=CCSc1ccccc1F 62a_100011215700_200015260668 [0,1,0,0,0,0|1,1,0]=3 1550 B11R1.17 O=CCSc1ccccc1F 62a_200015260668_100011215700 [0,1,0,0,0,0|1,1,0]=3 1551 B11R1.17 O=CCSc1ccccc1O 62a_100000739446_200015260668 [0,1,0,0,0,0|1,1,0]=3 1552 B11R1.17 O=CCSc1ccccc1O 62a_200015260668_100000739446 [0,1,0,0,0,0|1,1,0]=3 1553 B11R1.17 O=CCSc1cccnc1Br 62a_100010202626_200015260668 [0,1,0,0,0,0|2,1,0]=4 1554 B11R1.17 O=CCSc1cccnc1Br 62a_200015260668_100010202626 [0,1,0,0,0,0|2,1,0]=4 1555 B11R1.17 O=CCSc1cccnc1Cl 62a_100000036424_200015260668 [0,1,0,0,0,0|2,1,0]=4 1556 B11R1.17 O=CCSc1cccnc1Cl 62a_200015260668_100000036424 [0,1,0,0,0,0|2,1,0]=4 1557 B11R1.17 O=CCSc1cccnc1F 62a_100009816115_200015260668 [0,1,0,0,0,0|2,1,0]=4 1558 B11R1.17 O=CCSc1cccnc1F 62a_200015260668_100009816115 [0,1,0,0,0,0|2,1,0]=4 1559 B11R1.17 O=CCSc1cccnc1O 62a_100000760158_200015260668 [0,1,0,0,0,0|2,1,0]=4 1560 B11R1.17 O=CCSc1cccnc1O 62a_200015260668_100000760158 [0,1,0,0,0,0|2,1,0]=4 1561 B11R1.17 O=CCSc1ccncc1Br 62a_100000726257_200015260668 [0,1,0,0,0,0|2,1,0]=4 1562 B11R1.17 O=CCSc1ccncc1Br 62a_200015260668_100000726257 [0,1,0,0,0,0|2,1,0]=4 1563 B11R1.17 O=CCSc1ccncc1Cl 62a_100000708259_200015260668 [0,1,0,0,0,0|2,1,0]=4 1564 B11R1.17 O=CCSc1ccncc1Cl 62a_200015260668_100000708259 [0,1,0,0,0,0|2,1,0]=4 1565 B11R1.17 O=CCSc1ccncc1F 62a_100000047030_200015260668 [0,1,0,0,0,0|2,1,0]=4 1566 B11R1.17 O=CCSc1ccncc1F 62a_200015260668_100000047030 [0,1,0,0,0,0|2,1,0]=4 1567 B11R1.17 O=CCSc1ccncc1O 62a_100009817591_200015260668 [0,1,0,0,0,0|2,1,0]=4 1568 B11R1.17 O=CCSc1ccncc1O 62a_200015260668_100009817591 [0,1,0,0,0,0|2,1,0]=4 1569 B11R1.17 O=CCSc1cnccc1Br 62a_100010138639_200015260668 [0,1,0,0,0,0|2,1,0]=4 1570 B11R1.17 O=CCSc1cnccc1Br 62a_200015260668_100010138639 [0,1,0,0,0,0|2,1,0]=4 1571 B11R1.17 O=CCSc1cnccc1Cl 62a_100009995489_200015260668 [0,1,0,0,0,0|2,1,0]=4 1572 B11R1.17 O=CCSc1cnccc1Cl 62a_200015260668_100009995489 [0,1,0,0,0,0|2,1,0]=4 1573 B11R1.17 O=CCSc1cnccc1F 62a_100009820683_200015260668 [0,1,0,0,0,0|2,1,0]=4 1574 B11R1.17 O=CCSc1cnccc1F 62a_200015260668_100009820683 [0,1,0,0,0,0|2,1,0]=4 1575 B11R1.17 O=CCSc1ncccc1Br 62a_100000696092_200015260668 [0,1,0,0,0,0|2,1,0]=4 1576 B11R1.17 O=CCSc1ncccc1Br 62a_200015260668_100000696092 [0,1,0,0,0,0|2,1,0]=4 1577 B11R1.17 O=CCSc1ncccc1Cl 62a_100011356963_200015260668 [0,1,0,0,0,0|2,1,0]=4 1578 B11R1.17 O=CCSc1ncccc1Cl 62a_200015260668_100011356963 [0,1,0,0,0,0|2,1,0]=4 1579 B11R1.17 O=CCSc1ncccc1F 62a_100000685392_200015260668 [0,1,0,0,0,0|2,1,0]=4 1580 B11R1.17 O=CCSc1ncccc1F 62a_200015260668_100000685392 [0,1,0,0,0,0|2,1,0]=4 1581 B11R1.17 O=CCSc1ncccc1O 62a_100000034122_200015260668 [0,1,0,0,0,0|2,1,0]=4 1582 B11R1.17 O=CCSc1ncccc1O 62a_200015260668_100000034122 [0,1,0,0,0,0|2,1,0]=4 1583 B11R1.17 O=c1ccocc1OCCF 34a_100000060831_100011217306 [0,1,0,0,0,0|2,0,1]=4 1584 B11R1.17 O=c1ccocc1OCCO 34a_100000060831_100000211926 [0,1,0,0,0,0|2,0,1]=4 1585 B11R1.17 O=c1occcc1OCCF 34a_100000077404_100011217306 [0,1,0,0,0,0|2,0,1]=4 1586 B11R1.17 O=c1occcc1OCCF 7a_100000077404_100011217306 [0,1,0,0,0,0|2,0,1]=4 1587 B11R1.17 O=c1occcc1OCCO 34a_100000077404_100000211926 [0,1,0,0,0,0|2,0,1]=4 1588 B11R1.17 O=c1occcc1OCCO 7a_100000077404_100000211926 [0,1,0,0,0,0|2,0,1]=4 1589 B11R1.17 OCCCc1ccccc1O 271570a_203496583355_100000699526 [0,1,0,0,0,0|2,0,1]=4 1590 B11R1.17 OCCNc1ccccc1Br 34a_100000210017_100000211926 [0,1,0,0,0,0|2,0,1]=4 1591 B11R1.17 OCCNc1ccccc1Cl 34a_100000185783_100000211926 [0,1,0,0,0,0|2,0,1]=4 1592 B11R1.17 OCCNc1ccccc1F 34a_100000210422_100000211926 [0,1,0,0,0,0|2,0,1]=4 1593 B11R1.17 OCCNc1ccccc1I 34a_100000210053_100000211926 [0,1,0,0,0,0|2,0,1]=4 1594 B11R1.17 OCCNc1ccccc1O 34a_100000185747_100000211926 [0,1,0,0,0,0|2,0,1]=4 1595 B11R1.17 OCCOc1ccccc1Br 34a_100000181306_100000211926 [0,1,0,0,0,0|1,0,1]=3 1596 B11R1.17 OCCOc1ccccc1Br 7a_100000181306_100000211926 [0,1,0,0,0,0|1,0,1]=3 1597 B11R1.17 OCCOc1ccccc1Cl 34a_100000210172_100000211926 [0,1,0,0,0,0|1,0,1]=3 1598 B11R1.17 OCCOc1ccccc1Cl 7a_100000210172_100000211926 [0,1,0,0,0,0|1,0,1]=3 1599 B11R1.17 OCCOc1ccccc1F 34a_100000210171_100000211926 [0,1,0,0,0,0|1,0,1]=3 1600 B11R1.17 OCCOc1ccccc1F 7a_100000210171_100000211926 [0,1,0,0,0,0|1,0,1]=3 1601 B11R1.17 OCCOc1ccccc1I 34a_100000739446_100000211926 [0,1,0,0,0,0|1,0,1]=3 1602 B11R1.17 OCCOc1ccccc1I 7a_100000739446_100000211926 [0,1,0,0,0,0|1,0,1]=3 1603 B11R1.17 OCCOc1ccccc1O 271570a_203496583355_100000230753 [0,1,0,0,0,0|1,0,1]=3 1604 B11R1.17 OCCOc1cccnc1Br 34a_100000744436_100000211926 [0,1,0,0,0,0|2,0,1]=4 1605 B11R1.17 OCCOc1cccnc1Br 7a_100000744436_100000211926 [0,1,0,0,0,0|2,0,1]=4 1606 B11R1.17 OCCOc1cccnc1Cl 34a_100000757616_100000211926 [0,1,0,0,0,0|2,0,1]=4 1607 B11R1.17 OCCOc1cccnc1Cl 7a_100000757616_100000211926 [0,1,0,0,0,0|2,0,1]=4 1608 B11R1.17 OCCOc1cccnc1F 34a_100000061740_100000211926 [0,1,0,0,0,0|2,0,1]=4 1609 B11R1.17 OCCOc1cccnc1F 7a_100000061740_100000211926 [0,1,0,0,0,0|2,0,1]=4 1610 B11R1.17 OCCOc1cccnc1I 34a_100000034122_100000211926 [0,1,0,0,0,0|2,0,1]=4 1611 B11R1.17 OCCOc1cccnc1I 7a_100000034122_100000211926 [0,1,0,0,0,0|2,0,1]=4 1612 B11R1.17 OCCOc1ccncc1Br 34a_100011996408_100000211926 [0,1,0,0,0,0|2,0,1]=4 1613 B11R1.17 OCCOc1ccncc1Cl 34a_100011997054_100000211926 [0,1,0,0,0,0|2,0,1]=4 1614 B11R1.17 OCCOc1ccncc1F 34a_200000081243_100000211926 [0,1,0,0,0,0|2,0,1]=4 1615 B11R1.17 OCCOc1cnccc1Cl 34a_100011996695_100000211926 [0,1,0,0,0,0|2,0,1]=4 1616 B11R1.17 OCCOc1cnccc1I 34a_100000050107_100000211926 [0,1,0,0,0,0|2,0,1]=4 1617 B11R1.17 OCCOc1ncccc1Cl 34a_100011290957_100000211926 [0,1,0,0,0,0|2,0,1]=4 1618 B11R1.17 OCCOc1ncccc1F 34a_100011219419_100000211926 [0,1,0,0,0,0|2,0,1]=4 1619 B11R1.17 OCCSc1ccccc1Br 62a_100000211926_100000695589 [0,1,0,0,0,0|1,1,1]=4 1620 B11R1.17 OCCSc1ccccc1Br 62a_100000695589_100000211926 [0,1,0,0,0,0|1,1,1]=4 1621 B11R1.17 OCCSc1ccccc1Cl 62a_100000211926_100000764095 [0,1,0,0,0,0|1,1,1]=4 1622 B11R1.17 OCCSc1ccccc1Cl 62a_100000764095_100000211926 [0,1,0,0,0,0|1,1,1]=4 1623 B11R1.17 OCCSc1ccccc1F 62a_100000211926_100011215700 [0,1,0,0,0,0|1,1,1]=4 1624 B11R1.17 OCCSc1ccccc1F 62a_100011215700_100000211926 [0,1,0,0,0,0|1,1,1]=4 1625 B11R1.17 OCCSc1ccccc1O 271570a_203496583355_200000230852 [0,1,0,0,0,0|1,1,1]=4 1626 B11R1.17 OCCSc1ccccc1O 62a_100000211926_100000739446 [0,1,0,0,0,0|1,1,1]=4 1627 B11R1.17 OCCSc1ccccc1O 62a_100000739446_100000211926 [0,1,0,0,0,0|1,1,1]=4 1628 B11R1.17 Oc1ccccc1NCCF 34a_100000185747_100011217306 [0,1,0,0,0,0|2,0,1]=4 1629 B11R1.17 Oc1ccccc1SCCF 62a_100000739446_100011217306 [0,1,0,0,0,0|1,1,1]=4 1630 B11R1.17 Oc1ccccc1SCCF 62a_100011217306_100000739446 [0,1,0,0,0,0|1,1,1]=4 1631 B11R1.17 Oc1ncccc1OCCF 271570a_203496583355_100012814765 [0,1,0,0,0,0|2,0,1]=4 1632 B11R1.17 [13CH3]NCCc1ccccc1Br 2230a_100000747383_200025704644 [0,1,0,0,0,0|2,0,1]=4 1633 B11R1.17 [13CH3]NCCc1ccccc1Br 34a_100000747383_200025704644 [0,1,0,0,0,0|2,0,1]=4 1634 B11R1.17 [13CH3]NCCc1ccccc1Cl 2230a_100011207228_200025704644 [0,1,0,0,0,0|2,0,1]=4 1635 B11R1.17 [13CH3]NCCc1ccccc1Cl 34a_100011207228_200025704644 [0,1,0,0,0,0|2,0,1]=4 1636 B11R1.17 [13CH3]NCCc1ccccc1F 2230a_100000185272_200025704644 [0,1,0,0,0,0|2,0,1]=4 1637 B11R1.17 [13CH3]NCCc1ccccc1F 34a_100000185272_200025704644 [0,1,0,0,0,0|2,0,1]=4 1638 B11R1.17 [13CH3]NCCc1ccccc1O 34a_100011207237_200025704644 [0,1,0,0,0,0|2,0,1]=4 1639 B11R1.17 [13CH3]OCCc1ccccc1Br 34a_100000731337_200025704644 [0,1,0,0,0,0|2,0,1]=4 1640 B11R1.17 [13CH3]OCCc1ccccc1Br 7a_100000731337_200025704644 [0,1,0,0,0,0|2,0,1]=4 1641 B11R1.17 [13CH3]OCCc1ccccc1Cl 34a_100011215284_200025704644 [0,1,0,0,0,0|2,0,1]=4 1642 B11R1.17 [13CH3]OCCc1ccccc1Cl 7a_100011215284_200025704644 [0,1,0,0,0,0|2,0,1]=4 1643 B11R1.17 [13CH3]OCCc1ccccc1F 34a_100000753711_200025704644 [0,1,0,0,0,0|2,0,1]=4 1644 B11R1.17 [13CH3]OCCc1ccccc1F 7a_100000753711_200025704644 [0,1,0,0,0,0|2,0,1]=4 1645 B11R1.17 [13CH3]OCCc1ccccc1I 34a_100010255290_200025704644 [0,1,0,0,0,0|2,0,1]=4 1646 B11R1.17 [13CH3]OCCc1ccccc1I 7a_100010255290_200025704644 [0,1,0,0,0,0|2,0,1]=4 1647 B11R1.17 [13CH3]OCCc1ccccc1N 34a_100011215289_200025704644 [0,1,0,0,0,0|2,0,1]=4 1648 B11R1.17 [13CH3]SCCc1ccccc1Br 62a_100012161201_200025704644 [0,1,0,0,0,0|2,0,1]=4 1649 B11R1.17 [13CH3]SCCc1ccccc1Br 62a_200025704644_100012161201 [0,1,0,0,0,0|2,0,1]=4 1650 B11R1.17 [13CH3]SCCc1ccccc1Cl 62a_100011713703_200025704644 [0,1,0,0,0,0|2,0,1]=4 1651 B11R1.17 [13CH3]SCCc1ccccc1Cl 62a_200025704644_100011713703 [0,1,0,0,0,0|2,0,1]=4 1652 B11R1.17 [13CH3]SCCc1ccccc1F 62a_100011713696_200025704644 [0,1,0,0,0,0|2,0,1]=4 1653 B11R1.17 [13CH3]SCCc1ccccc1F 62a_200025704644_100011713696 [0,1,0,0,0,0|2,0,1]=4 1654 B11R1.17 [13CH3]SCCc1ccccc1O 62a_100000722297_200025704644 [0,1,0,0,0,0|2,0,1]=4 1655 B11R1.17 [13CH3]SCCc1ccccc1O 62a_200025704644_100000722297 [0,1,0,0,0,0|2,0,1]=4 1656 B11R1.17 [O-][n+]1ccccc1OCCF 7a_100000211761_100011217306 [0,1,0,0,0,0|2,0,1]=4 1657 B11R1.17 [O-][n+]1ccccc1OCCO 7a_100000211761_100000211926 [0,1,0,0,0,0|2,0,1]=4 1658 B11R1.24 C#CCNc1cccc(c1)Br 34a_100000210019_100000184674 [0,1,0,0,0,0|1,0,2]=4 1659 B11R1.24 C#CCNc1cccc(c1)C 2230a_100000188690_100000038162 [0,1,0,0,0,0|1,0,2]=4 1660 B11R1.24 C#CCNc1cccc(c1)C 34a_100000188690_100000184674 [0,1,0,0,0,0|1,0,2]=4 1661 B11R1.24 C#CCNc1cccc(c1)Cl 34a_100000185859_100000184674 [0,1,0,0,0,0|1,0,2]=4 1662 B11R1.24 C#CCNc1cccc(c1)F 34a_100000210047_100000184674 [0,1,0,0,0,0|1,0,2]=4 1663 B11R1.24 C#CCNc1cccc(c1)I 34a_100000211102_100000184674 [0,1,0,0,0,0|1,0,2]=4 1664 B11R1.24 C#CCNc1cccc(c1)O 34a_100000210217_100000184674 [0,1,0,0,0,0|1,0,2]=4 1665 B11R1.24 C#CCOc1cc[nH]c(=O)c1 34a_100000032262_100000184674 [0,1,0,0,0,0|1,0,2]=4 1666 B11R1.24 C#CCOc1ccc[n+](c1)[O-] 34a_100000039713_100000184674 [0,1,0,0,0,0|1,0,2]=4 1667 B11R1.24 C#CCOc1ccc[n+](c1)[O-] 7a_100000039713_100000038162 [0,1,0,0,0,0|1,0,2]=4 1668 B11R1.24 C#CCOc1cccc(=O)[nH]1 34a_100000033347_100000184674 [0,1,0,0,0,0|1,0,2]=4 1669 B11R1.24 C#CCOc1cccc(c1)Br 34a_100000210342_100000184674 [0,1,0,0,0,0|0,0,2]=3 1670 B11R1.24 C#CCOc1cccc(c1)Br 7a_100000210342_100000038162 [0,1,0,0,0,0|0,0,2]=3 1671 B11R1.24 C#CCOc1cccc(c1)C 34a_100000210337_100000184674 [0,1,0,0,0,0|0,0,2]=3 1672 B11R1.24 C#CCOc1cccc(c1)C 7a_100000210337_100000038162 [0,1,0,0,0,0|0,0,2]=3 1673 B11R1.24 C#CCOc1cccc(c1)Cl 34a_100000210295_100000184674 [0,1,0,0,0,0|0,0,2]=3 1674 B11R1.24 C#CCOc1cccc(c1)Cl 7a_100000210295_100000038162 [0,1,0,0,0,0|0,0,2]=3 1675 B11R1.24 C#CCOc1cccc(c1)F 34a_100000210426_100000184674 [0,1,0,0,0,0|0,0,2]=3 1676 B11R1.24 C#CCOc1cccc(c1)F 7a_100000210426_100000038162 [0,1,0,0,0,0|0,0,2]=3 1677 B11R1.24 C#CCOc1cccc(c1)I 34a_100000211634_100000184674 [0,1,0,0,0,0|0,0,2]=3 1678 B11R1.24 C#CCOc1cccc(c1)I 7a_100000211634_100000038162 [0,1,0,0,0,0|0,0,2]=3 1679 B11R1.24 C#CCOc1cccc(c1)N 34a_100000210217_100000184674 [0,1,0,0,0,0|0,0,2]=3 1680 B11R1.24 C#CCOc1cccc(n1)F 34a_100011432558_100000184674 [0,1,0,0,0,0|1,0,2]=4 1681 B11R1.24 C#CCOc1ccnc(c1)C 34a_100000688365_100000184674 [0,1,0,0,0,0|1,0,2]=4 1682 B11R1.24 C#CCOc1ccnc(c1)Cl 34a_100000762945_100000184674 [0,1,0,0,0,0|1,0,2]=4 1683 B11R1.24 C#CCOc1ccnc(c1)F 34a_100000732698_100000184674 [0,1,0,0,0,0|1,0,2]=4 1684 B11R1.24 C#CCOc1ccnc(c1)N 34a_100011834064_100000184674 [0,1,0,0,0,0|1,0,2]=4 1685 B11R1.24 C#CCOc1cncc(c1)Br 34a_100000754920_100000184674 [0,1,0,0,0,0|1,0,2]=4 1686 B11R1.24 C#CCOc1cncc(c1)Br 7a_100000754920_100000038162 [0,1,0,0,0,0|1,0,2]=4 1687 B11R1.24 C#CCOc1cncc(c1)C 34a_100011830280_100000184674 [0,1,0,0,0,0|1,0,2]=4 1688 B11R1.24 C#CCOc1cncc(c1)C 7a_100011830280_100000038162 [0,1,0,0,0,0|1,0,2]=4 1689 B11R1.24 C#CCOc1cncc(c1)Cl 7a_100000032511_100000038162 [0,1,0,0,0,0|1,0,2]=4 1690 B11R1.24 C#CCOc1cncc(c1)F 34a_100011830296_100000184674 [0,1,0,0,0,0|1,0,2]=4 1691 B11R1.24 C#CCOc1cncc(c1)F 7a_100011830296_100000038162 [0,1,0,0,0,0|1,0,2]=4 1692 B11R1.24 C#CCOc1cncc(c1)N 34a_100011997051_100000184674 [0,1,0,0,0,0|1,0,2]=4 1693 B11R1.24 C#CCSc1cccc(c1)Br 62a_100000038162_100000691529 [0,1,0,0,0,0|0,1,2]=4 1694 B11R1.24 C#CCSc1cccc(c1)C 62a_100000038162_100011215228 [0,1,0,0,0,0|0,1,2]=4 1695 B11R1.24 C#CCSc1cccc(c1)Cl 62a_100000038162_100000699651 [0,1,0,0,0,0|0,1,2]=4 1696 B11R1.24 C#CCSc1cccc(c1)F 62a_100000038162_100000685547 [0,1,0,0,0,0|0,1,2]=4 1697 B11R1.24 C#CCSc1cccc(c1)N 62a_100000038162_100000210019 [0,1,0,0,0,0|0,1,2]=4 1698 B11R1.24 C#CCSc1cccc(c1)O 62a_100000038162_100000211634 [0,1,0,0,0,0|0,1,2]=4 1699 B11R1.24 C#CCSc1cccc(c1)[S] 62a_100000038162_114929384022 [0,1,0,0,0,0|0,1,2]=4 1700 B11R1.24 C=CCNc1c[n+](ccn1)[O-] 27a_100020586998_100009880115 [0,1,0,0,0,0|3,0,0]=4 1701 B11R1.24 C=CCNc1cc(ccn1)F 27a_100020586998_100000764206 [0,1,0,0,0,0|2,0,0]=3 1702 B11R1.24 C=CCNc1cc(cnn1)C 27a_100020586998_100000070100 [0,1,0,0,0,0|3,0,0]=4 1703 B11R1.24 C=CCNc1cc(ncn1)C 27a_100020586998_100000744208 [0,1,0,0,0,0|3,0,0]=4 1704 B11R1.24 C=CCNc1cc(ncn1)F 27a_100020586998_200009880791 [0,1,0,0,0,0|3,0,0]=4 1705 B11R1.24 C=CCNc1cc(ncn1)N 27a_100020586998_100000701291 [0,1,0,0,0,0|3,0,0]=4 1706 B11R1.24 C=CCNc1cc(ncn1)O 27a_100020586998_100000765262 [0,1,0,0,0,0|3,0,0]=4 1707 B11R1.24 C=CCNc1cc[nH]c(=O)c1 27a_100020586998_100000061649 [0,1,0,0,0,0|2,0,0]=3 1708 B11R1.24 C=CCNc1cc[nH]c(=O)n1 27a_100020586998_200000134032 [0,1,0,0,0,0|3,0,0]=4 1709 B11R1.24 C=CCNc1cccc(c1)Br 34a_100000210019_100015514636 [0,1,0,0,0,0|1,0,0]=2 1710 B11R1.24 C=CCNc1cccc(c1)C 2230a_100000188690_100000210623 [0,1,0,0,0,0|1,0,0]=2 1711 B11R1.24 C=CCNc1cccc(c1)C 34a_100000188690_100015514636 [0,1,0,0,0,0|1,0,0]=2 1712 B11R1.24 C=CCNc1cccc(c1)Cl 34a_100000185859_100015514636 [0,1,0,0,0,0|1,0,0]=2 1713 B11R1.24 C=CCNc1cccc(c1)F 34a_100000210047_100015514636 [0,1,0,0,0,0|1,0,0]=2 1714 B11R1.24 C=CCNc1cccc(c1)I 34a_100000211102_100015514636 [0,1,0,0,0,0|1,0,0]=2 1715 B11R1.24 C=CCNc1cccc(c1)O 34a_100000210217_100015514636 [0,1,0,0,0,0|1,0,0]=2 1716 B11R1.24 C=CCNc1cccc(n1)F 27a_100020586998_100009815982 [0,1,0,0,0,0|2,0,0]=3 1717 B11R1.24 C=CCNc1ccnc(c1)C 27a_100020586998_100000758586 [0,1,0,0,0,0|2,0,0]=3 1718 B11R1.24 C=CCNc1ccnc(c1)F 27a_100020586998_100009816116 [0,1,0,0,0,0|2,0,0]=3 1719 B11R1.24 C=CCNc1ccnc(n1)C 27a_100020586998_100000749937 [0,1,0,0,0,0|3,0,0]=4 1720 B11R1.24 C=CCNc1ccnc(n1)N 27a_100020586998_100000055538 [0,1,0,0,0,0|3,0,0]=4 1721 B11R1.24 C=CCNc1cncc(n1)C 27a_100020586998_100000754123 [0,1,0,0,0,0|3,0,0]=4 1722 B11R1.24 C=CCNc1cncc(n1)Cl 27a_100020586998_100010892449 [0,1,0,0,0,0|3,0,0]=4 1723 B11R1.24 C=CCNc1cncc(n1)F 27a_100020586998_200009863489 [0,1,0,0,0,0|3,0,0]=4 1724 B11R1.24 C=CCNc1nccc(n1)C 27a_100020586998_100000750684 [0,1,0,0,0,0|3,0,0]=4 1725 B11R1.24 C=CCNc1nccc(n1)N 27a_100020586998_100000757536 [0,1,0,0,0,0|3,0,0]=4 1726 B11R1.24 C=CCNc1nccc(n1)O 27a_100020586998_100011649813 [0,1,0,0,0,0|3,0,0]=4 1727 B11R1.24 C=CCOc1cc(cnn1)C 34a_100000766097_100015514636 [0,1,0,0,0,0|2,0,0]=3 1728 B11R1.24 C=CCOc1cc[nH]c(=O)c1 34a_100000032262_100015514636 [0,1,0,0,0,0|1,0,0]=2 1729 B11R1.24 C=CCOc1ccc[n+](c1)[O-] 34a_100000039713_100015514636 [0,1,0,0,0,0|1,0,0]=2 1730 B11R1.24 C=CCOc1ccc[n+](c1)[O-] 7a_100000039713_100015514636 [0,1,0,0,0,0|1,0,0]=2 1731 B11R1.24 C=CCOc1cccc(=O)[nH]1 34a_100000033347_100015514636 [0,1,0,0,0,0|1,0,0]=2 1732 B11R1.24 C=CCOc1cccc(c1)Br 34a_100000210342_100015514636 [0,1,0,0,0,0|0,0,0]=1 1733 B11R1.24 C=CCOc1cccc(c1)Br 7a_100000210342_100015514636 [0,1,0,0,0,0|0,0,0]=1 1734 B11R1.24 C=CCOc1cccc(c1)C 34a_100000210337_100015514636 [0,1,0,0,0,0|0,0,0]=1 1735 B11R1.24 C=CCOc1cccc(c1)C 7a_100000210337_100015514636 [0,1,0,0,0,0|0,0,0]=1 1736 B11R1.24 C=CCOc1cccc(c1)Cl 34a_100000210295_100015514636 [0,1,0,0,0,0|0,0,0]=1 1737 B11R1.24 C=CCOc1cccc(c1)Cl 7a_100000210295_100015514636 [0,1,0,0,0,0|0,0,0]=1 1738 B11R1.24 C=CCOc1cccc(c1)F 34a_100000210426_100015514636 [0,1,0,0,0,0|0,0,0]=1 1739 B11R1.24 C=CCOc1cccc(c1)F 7a_100000210426_100015514636 [0,1,0,0,0,0|0,0,0]=1 1740 B11R1.24 C=CCOc1cccc(c1)I 34a_100000211634_100015514636 [0,1,0,0,0,0|0,0,0]=1 1741 B11R1.24 C=CCOc1cccc(c1)I 7a_100000211634_100015514636 [0,1,0,0,0,0|0,0,0]=1 1742 B11R1.24 C=CCOc1cccc(c1)N 34a_100000210217_100015514636 [0,1,0,0,0,0|0,0,0]=1 1743 B11R1.24 C=CCOc1cccc(n1)F 34a_100011432558_100015514636 [0,1,0,0,0,0|1,0,0]=2 1744 B11R1.24 C=CCOc1ccnc(c1)C 34a_100000688365_100015514636 [0,1,0,0,0,0|1,0,0]=2 1745 B11R1.24 C=CCOc1ccnc(c1)Cl 34a_100000762945_100015514636 [0,1,0,0,0,0|1,0,0]=2 1746 B11R1.24 C=CCOc1ccnc(c1)F 34a_100000732698_100015514636 [0,1,0,0,0,0|1,0,0]=2 1747 B11R1.24 C=CCOc1ccnc(c1)N 34a_100011834064_100015514636 [0,1,0,0,0,0|1,0,0]=2 1748 B11R1.24 C=CCOc1cncc(c1)Br 34a_100000754920_100015514636 [0,1,0,0,0,0|1,0,0]=2 1749 B11R1.24 C=CCOc1cncc(c1)Br 7a_100000754920_100015514636 [0,1,0,0,0,0|1,0,0]=2 1750 B11R1.24 C=CCOc1cncc(c1)C 34a_100011830280_100015514636 [0,1,0,0,0,0|1,0,0]=2 1751 B11R1.24 C=CCOc1cncc(c1)C 7a_100011830280_100015514636 [0,1,0,0,0,0|1,0,0]=2 1752 B11R1.24 C=CCOc1cncc(c1)Cl 7a_100000032511_100015514636 [0,1,0,0,0,0|1,0,0]=2 1753 B11R1.24 C=CCOc1cncc(c1)F 34a_100011830296_100015514636 [0,1,0,0,0,0|1,0,0]=2 1754 B11R1.24 C=CCOc1cncc(c1)F 7a_100011830296_100015514636 [0,1,0,0,0,0|1,0,0]=2 1755 B11R1.24 C=CCOc1cncc(c1)N 34a_100011997051_100015514636 [0,1,0,0,0,0|1,0,0]=2 1756 B11R1.24 C=CCOc1cnnc(c1)Cl 34a_200010734679_100015514636 [0,1,0,0,0,0|2,0,0]=3 1757 B11R1.24 C=CCOc1cnnc(c1)N 34a_200015193112_100015514636 [0,1,0,0,0,0|2,0,0]=3 1758 B11R1.24 C=CCSc1c[n+](ccn1)[O-] 62a_100000210623_100009880115 [0,1,0,0,0,0|2,1,0]=4 1759 B11R1.24 C=CCSc1cc(=O)[nH]cn1 62a_100012002517_100000210623 [0,1,0,0,0,0|2,1,0]=4 1760 B11R1.24 C=CCSc1cc(=O)cc[nH]1 62a_100009817434_100000210623 [0,1,0,0,0,0|1,1,0]=3 1761 B11R1.24 C=CCSc1cc(ccn1)C 62a_100000210623_100000750283 [0,1,0,0,0,0|1,1,0]=3 1762 B11R1.24 C=CCSc1cc(ccn1)C 62a_100000750283_100000210623 [0,1,0,0,0,0|1,1,0]=3 1763 B11R1.24 C=CCSc1cc(ccn1)Cl 62a_100000210623_100010167805 [0,1,0,0,0,0|1,1,0]=3 1764 B11R1.24 C=CCSc1cc(ccn1)Cl 62a_100010167805_100000210623 [0,1,0,0,0,0|1,1,0]=3 1765 B11R1.24 C=CCSc1cc(ccn1)F 62a_100000210623_100000764206 [0,1,0,0,0,0|1,1,0]=3 1766 B11R1.24 C=CCSc1cc(ccn1)F 62a_100000764206_100000210623 [0,1,0,0,0,0|1,1,0]=3 1767 B11R1.24 C=CCSc1cc(ccn1)N 62a_100000210623_100009814236 [0,1,0,0,0,0|1,1,0]=3 1768 B11R1.24 C=CCSc1cc(ccn1)N 62a_100009814236_100000210623 [0,1,0,0,0,0|1,1,0]=3 1769 B11R1.24 C=CCSc1cc(ccn1)O 62a_100000210623_100000762945 [0,1,0,0,0,0|1,1,0]=3 1770 B11R1.24 C=CCSc1cc(cnn1)C 62a_100000070100_100000210623 [0,1,0,0,0,0|2,1,0]=4 1771 B11R1.24 C=CCSc1cc(cnn1)C 62a_100000210623_100000070100 [0,1,0,0,0,0|2,1,0]=4 1772 B11R1.24 C=CCSc1cc(cnn1)N 62a_100000210623_100011996757 [0,1,0,0,0,0|2,1,0]=4 1773 B11R1.24 C=CCSc1cc(cnn1)N 62a_100011996757_100000210623 [0,1,0,0,0,0|2,1,0]=4 1774 B11R1.24 C=CCSc1cc(cnn1)O 62a_100000210623_200010734679 [0,1,0,0,0,0|2,1,0]=4 1775 B11R1.24 C=CCSc1cc(ncn1)C 62a_100000210623_100000744208 [0,1,0,0,0,0|2,1,0]=4 1776 B11R1.24 C=CCSc1cc(ncn1)C 62a_100000744208_100000210623 [0,1,0,0,0,0|2,1,0]=4 1777 B11R1.24 C=CCSc1cc(ncn1)Cl 62a_100000210623_100010161198 [0,1,0,0,0,0|2,1,0]=4 1778 B11R1.24 C=CCSc1cc(ncn1)Cl 62a_100010161198_100000210623 [0,1,0,0,0,0|2,1,0]=4 1779 B11R1.24 C=CCSc1cc(ncn1)F 62a_100000210623_200009880791 [0,1,0,0,0,0|2,1,0]=4 1780 B11R1.24 C=CCSc1cc(ncn1)F 62a_200009880791_100000210623 [0,1,0,0,0,0|2,1,0]=4 1781 B11R1.24 C=CCSc1cc(ncn1)N 62a_100000210623_100000701291 [0,1,0,0,0,0|2,1,0]=4 1782 B11R1.24 C=CCSc1cc(ncn1)N 62a_100000701291_100000210623 [0,1,0,0,0,0|2,1,0]=4 1783 B11R1.24 C=CCSc1cc(ncn1)O 62a_100000210623_100000765262 [0,1,0,0,0,0|2,1,0]=4 1784 B11R1.24 C=CCSc1cc[nH]c(=O)c1 62a_100000210623_100009816521 [0,1,0,0,0,0|1,1,0]=3 1785 B11R1.24 C=CCSc1cc[nH]c(=O)c1 62a_100009816521_100000210623 [0,1,0,0,0,0|1,1,0]=3 1786 B11R1.24 C=CCSc1cc[nH]c(=O)n1 62a_100000210623_200000134032 [0,1,0,0,0,0|2,1,0]=4 1787 B11R1.24 C=CCSc1ccc[n+](c1)C 62a_100000210623_100009996589 [0,1,0,0,0,0|1,1,0]=3 1788 B11R1.24 C=CCSc1ccc[n+](c1)C 62a_100009996589_100000210623 [0,1,0,0,0,0|1,1,0]=3 1789 B11R1.24 C=CCSc1ccc[n+](c1)[O-] 62a_100000210623_100009815978 [0,1,0,0,0,0|1,1,0]=3 1790 B11R1.24 C=CCSc1cccc(=O)[nH]1 62a_100000210623_100000752884 [0,1,0,0,0,0|1,1,0]=3 1791 B11R1.24 C=CCSc1cccc(c1)Br 62a_100000210623_100000691529 [0,1,0,0,0,0|0,1,0]=2 1792 B11R1.24 C=CCSc1cccc(c1)Br 62a_100000691529_100000210623 [0,1,0,0,0,0|0,1,0]=2 1793 B11R1.24 C=CCSc1cccc(c1)C 62a_100000210623_100011215228 [0,1,0,0,0,0|0,1,0]=2 1794 B11R1.24 C=CCSc1cccc(c1)C 62a_100011215228_100000210623 [0,1,0,0,0,0|0,1,0]=2 1795 B11R1.24 C=CCSc1cccc(c1)Cl 62a_100000210623_100000699651 [0,1,0,0,0,0|0,1,0]=2 1796 B11R1.24 C=CCSc1cccc(c1)Cl 62a_100000699651_100000210623 [0,1,0,0,0,0|0,1,0]=2 1797 B11R1.24 C=CCSc1cccc(c1)F 62a_100000210623_100000685547 [0,1,0,0,0,0|0,1,0]=2 1798 B11R1.24 C=CCSc1cccc(c1)F 62a_100000685547_100000210623 [0,1,0,0,0,0|0,1,0]=2 1799 B11R1.24 C=CCSc1cccc(c1)N 62a_100000210019_100000210623 [0,1,0,0,0,0|0,1,0]=2 1800 B11R1.24 C=CCSc1cccc(c1)N 62a_100000210623_100000210019 [0,1,0,0,0,0|0,1,0]=2 1801 B11R1.24 C=CCSc1cccc(c1)O 62a_100000210623_100000211634 [0,1,0,0,0,0|0,1,0]=2 1802 B11R1.24 C=CCSc1cccc(c1)[S] 62a_100000210623_114929384022 [0,1,0,0,0,0|0,1,0]=2 1803 B11R1.24 C=CCSc1cccc(c1)[S] 62a_114929384022_100000210623 [0,1,0,0,0,0|0,1,0]=2 1804 B11R1.24 C=CCSc1cccc(n1)Br 62a_100000210623_100000684672 [0,1,0,0,0,0|1,1,0]=3 1805 B11R1.24 C=CCSc1cccc(n1)Br 62a_100000684672_100000210623 [0,1,0,0,0,0|1,1,0]=3 1806 B11R1.24 C=CCSc1cccc(n1)C 62a_100000210623_100000742759 [0,1,0,0,0,0|1,1,0]=3 1807 B11R1.24 C=CCSc1cccc(n1)C 62a_100000742759_100000210623 [0,1,0,0,0,0|1,1,0]=3 1808 B11R1.24 C=CCSc1cccc(n1)Cl 62a_100000051397_100000210623 [0,1,0,0,0,0|1,1,0]=3 1809 B11R1.24 C=CCSc1cccc(n1)Cl 62a_100000210623_100000051397 [0,1,0,0,0,0|1,1,0]=3 1810 B11R1.24 C=CCSc1cccc(n1)F 62a_100000210623_100009815982 [0,1,0,0,0,0|1,1,0]=3 1811 B11R1.24 C=CCSc1cccc(n1)F 62a_100009815982_100000210623 [0,1,0,0,0,0|1,1,0]=3 1812 B11R1.24 C=CCSc1cccc(n1)N 62a_100000210623_100000740741 [0,1,0,0,0,0|1,1,0]=3 1813 B11R1.24 C=CCSc1cccc(n1)N 62a_100000740741_100000210623 [0,1,0,0,0,0|1,1,0]=3 1814 B11R1.24 C=CCSc1ccnc(c1)Br 62a_100000210623_100009814637 [0,1,0,0,0,0|1,1,0]=3 1815 B11R1.24 C=CCSc1ccnc(c1)Br 62a_100009814637_100000210623 [0,1,0,0,0,0|1,1,0]=3 1816 B11R1.24 C=CCSc1ccnc(c1)C 62a_100000210623_100000758586 [0,1,0,0,0,0|1,1,0]=3 1817 B11R1.24 C=CCSc1ccnc(c1)C 62a_100000758586_100000210623 [0,1,0,0,0,0|1,1,0]=3 1818 B11R1.24 C=CCSc1ccnc(c1)Cl 62a_100000035001_100000210623 [0,1,0,0,0,0|1,1,0]=3 1819 B11R1.24 C=CCSc1ccnc(c1)Cl 62a_100000210623_100000035001 [0,1,0,0,0,0|1,1,0]=3 1820 B11R1.24 C=CCSc1ccnc(c1)F 62a_100000210623_100009816116 [0,1,0,0,0,0|1,1,0]=3 1821 B11R1.24 C=CCSc1ccnc(c1)F 62a_100009816116_100000210623 [0,1,0,0,0,0|1,1,0]=3 1822 B11R1.24 C=CCSc1ccnc(c1)N 62a_100000049665_100000210623 [0,1,0,0,0,0|1,1,0]=3 1823 B11R1.24 C=CCSc1ccnc(c1)N 62a_100000210623_100000049665 [0,1,0,0,0,0|1,1,0]=3 1824 B11R1.24 C=CCSc1ccnc(n1)C 62a_100000210623_100000749937 [0,1,0,0,0,0|2,1,0]=4 1825 B11R1.24 C=CCSc1ccnc(n1)C 62a_100000749937_100000210623 [0,1,0,0,0,0|2,1,0]=4 1826 B11R1.24 C=CCSc1ccnc(n1)Cl 62a_100000210623_100010154678 [0,1,0,0,0,0|2,1,0]=4 1827 B11R1.24 C=CCSc1ccnc(n1)Cl 62a_100010154678_100000210623 [0,1,0,0,0,0|2,1,0]=4 1828 B11R1.24 C=CCSc1ccnc(n1)N 62a_100000055538_100000210623 [0,1,0,0,0,0|2,1,0]=4 1829 B11R1.24 C=CCSc1ccnc(n1)N 62a_100000210623_100000055538 [0,1,0,0,0,0|2,1,0]=4 1830 B11R1.24 C=CCSc1cn[nH]c(=O)c1 62a_100000210623_100010197405 [0,1,0,0,0,0|2,1,0]=4 1831 B11R1.24 C=CCSc1cncc(c1)Br 62a_100000210623_100000728054 [0,1,0,0,0,0|1,1,0]=3 1832 B11R1.24 C=CCSc1cncc(c1)Br 62a_100000728054_100000210623 [0,1,0,0,0,0|1,1,0]=3 1833 B11R1.24 C=CCSc1cncc(c1)C 62a_100000210623_100000760492 [0,1,0,0,0,0|1,1,0]=3 1834 B11R1.24 C=CCSc1cncc(c1)C 62a_100000760492_100000210623 [0,1,0,0,0,0|1,1,0]=3 1835 B11R1.24 C=CCSc1cncc(c1)Cl 62a_100000049639_100000210623 [0,1,0,0,0,0|1,1,0]=3 1836 B11R1.24 C=CCSc1cncc(c1)Cl 62a_100000210623_100000049639 [0,1,0,0,0,0|1,1,0]=3 1837 B11R1.24 C=CCSc1cncc(c1)F 62a_100000210623_100000744099 [0,1,0,0,0,0|1,1,0]=3 1838 B11R1.24 C=CCSc1cncc(c1)F 62a_100000744099_100000210623 [0,1,0,0,0,0|1,1,0]=3 1839 B11R1.24 C=CCSc1cncc(c1)N 62a_100000210623_100000687067 [0,1,0,0,0,0|1,1,0]=3 1840 B11R1.24 C=CCSc1cncc(c1)N 62a_100000687067_100000210623 [0,1,0,0,0,0|1,1,0]=3 1841 B11R1.24 C=CCSc1cncc(c1)O 62a_100000210623_100000754920 [0,1,0,0,0,0|1,1,0]=3 1842 B11R1.24 C=CCSc1cncc(c1)O 62a_100000754920_100000210623 [0,1,0,0,0,0|1,1,0]=3 1843 B11R1.24 C=CCSc1cncc(n1)C 62a_100000210623_100000754123 [0,1,0,0,0,0|2,1,0]=4 1844 B11R1.24 C=CCSc1cncc(n1)C 62a_100000754123_100000210623 [0,1,0,0,0,0|2,1,0]=4 1845 B11R1.24 C=CCSc1cncc(n1)Cl 62a_100000210623_100010892449 [0,1,0,0,0,0|2,1,0]=4 1846 B11R1.24 C=CCSc1cncc(n1)Cl 62a_100010892449_100000210623 [0,1,0,0,0,0|2,1,0]=4 1847 B11R1.24 C=CCSc1cncc(n1)F 62a_100000210623_200009863489 [0,1,0,0,0,0|2,1,0]=4 1848 B11R1.24 C=CCSc1cncc(n1)F 62a_200009863489_100000210623 [0,1,0,0,0,0|2,1,0]=4 1849 B11R1.24 C=CCSc1cncc(n1)N 62a_100000210623_100000747728 [0,1,0,0,0,0|2,1,0]=4 1850 B11R1.24 C=CCSc1cncc(n1)N 62a_100000747728_100000210623 [0,1,0,0,0,0|2,1,0]=4 1851 B11R1.24 C=CCSc1cncc(n1)O 62a_100000210623_100011269956 [0,1,0,0,0,0|2,1,0]=4 1852 B11R1.24 C=CCSc1cnnc(c1)N 62a_100000130277_100000210623 [0,1,0,0,0,0|2,1,0]=4 1853 B11R1.24 C=CCSc1cnnc(c1)N 62a_100000210623_100000130277 [0,1,0,0,0,0|2,1,0]=4 1854 B11R1.24 C=CCSc1nccc(n1)C 62a_100000210623_100011243806 [0,1,0,0,0,0|2,1,0]=4 1855 B11R1.24 C=CCSc1nccc(n1)C 62a_100011243806_100000210623 [0,1,0,0,0,0|2,1,0]=4 1856 B11R1.24 C=CCSc1nccc(n1)N 62a_100000210623_100000757536 [0,1,0,0,0,0|2,1,0]=4 1857 B11R1.24 C=CCSc1nccc(n1)N 62a_100000757536_100000210623 [0,1,0,0,0,0|2,1,0]=4 1858 B11R1.24 C=CCSc1nccc(n1)O 62a_100000210623_100011649813 [0,1,0,0,0,0|2,1,0]=4 1859 B11R1.24 CC=NNc1cccc(c1)Br 4a_100000217339_200000210099 [0,1,0,0,0,0|2,0,1]=4 1860 B11R1.24 CC=NNc1cccc(c1)C 4a_100000681630_200000210099 [0,1,0,0,0,0|2,0,1]=4 1861 B11R1.24 CC=NNc1cccc(c1)Cl 4a_100000184277_200000210099 [0,1,0,0,0,0|2,0,1]=4 1862 B11R1.24 CC=NNc1cccc(c1)F 4a_100000745080_200000210099 [0,1,0,0,0,0|2,0,1]=4 1863 B11R1.24 CC=NNc1cccc(c1)I 4a_100020605690_200000210099 [0,1,0,0,0,0|2,0,1]=4 1864 B11R1.24 CCCCc1cccc(c1)Br 271570a_100020621405_100000691529 [0,1,0,0,0,0|1,0,2]=4 1865 B11R1.24 CCCCc1cccc(c1)C 271570a_100020621405_100011215228 [0,1,0,0,0,0|1,0,2]=4 1866 B11R1.24 CCCCc1cccc(c1)Cl 271570a_100020621405_100000699651 [0,1,0,0,0,0|1,0,2]=4 1867 B11R1.24 CCCCc1cccc(c1)F 271570a_100020621405_100000685547 [0,1,0,0,0,0|1,0,2]=4 1868 B11R1.24 CCCCc1cccc(c1)N 271570a_100020621405_100000210019 [0,1,0,0,0,0|1,0,2]=4 1869 B11R1.24 CCCCc1cccc(c1)O 271570a_100020621405_100000211634 [0,1,0,0,0,0|1,0,2]=4 1870 B11R1.24 CCCCc1cccc(c1)O 271570a_203496583355_200010244551 [0,1,0,0,0,0|1,0,2]=4 1871 B11R1.24 CCCCc1cccc(c1)[S] 271570a_100020621405_114929384022 [0,1,0,0,0,0|1,0,2]=4 1872 B11R1.24 CCCNc1cccc(c1)Br 34a_100000210019_100000210303 [0,1,0,0,0,0|1,0,2]=4 1873 B11R1.24 CCCNc1cccc(c1)C 2230a_100000188690_100000210303 [0,1,0,0,0,0|1,0,2]=4 1874 B11R1.24 CCCNc1cccc(c1)C 34a_100000188690_100000210303 [0,1,0,0,0,0|1,0,2]=4 1875 B11R1.24 CCCNc1cccc(c1)Cl 34a_100000185859_100000210303 [0,1,0,0,0,0|1,0,2]=4 1876 B11R1.24 CCCNc1cccc(c1)F 34a_100000210047_100000210303 [0,1,0,0,0,0|1,0,2]=4 1877 B11R1.24 CCCNc1cccc(c1)I 34a_100000211102_100000210303 [0,1,0,0,0,0|1,0,2]=4 1878 B11R1.24 CCCNc1cccc(c1)O 34a_100000210217_100000210303 [0,1,0,0,0,0|1,0,2]=4 1879 B11R1.24 CCCOc1cc[nH]c(=O)c1 34a_100000032262_100000210303 [0,1,0,0,0,0|1,0,2]=4 1880 B11R1.24 CCCOc1ccc[n+](c1)[O-] 34a_100000039713_100000210303 [0,1,0,0,0,0|1,0,2]=4 1881 B11R1.24 CCCOc1ccc[n+](c1)[O-] 7a_100000039713_100000210303 [0,1,0,0,0,0|1,0,2]=4 1882 B11R1.24 CCCOc1cccc(=O)[nH]1 34a_100000033347_100000210303 [0,1,0,0,0,0|1,0,2]=4 1883 B11R1.24 CCCOc1cccc(c1)Br 34a_100000210342_100000210303 [0,1,0,0,0,0|0,0,2]=3 1884 B11R1.24 CCCOc1cccc(c1)Br 7a_100000210342_100000210303 [0,1,0,0,0,0|0,0,2]=3 1885 B11R1.24 CCCOc1cccc(c1)C 34a_100000210337_100000210303 [0,1,0,0,0,0|0,0,2]=3 1886 B11R1.24 CCCOc1cccc(c1)C 7a_100000210337_100000210303 [0,1,0,0,0,0|0,0,2]=3 1887 B11R1.24 CCCOc1cccc(c1)Cl 34a_100000210295_100000210303 [0,1,0,0,0,0|0,0,2]=3 1888 B11R1.24 CCCOc1cccc(c1)Cl 7a_100000210295_100000210303 [0,1,0,0,0,0|0,0,2]=3 1889 B11R1.24 CCCOc1cccc(c1)F 34a_100000210426_100000210303 [0,1,0,0,0,0|0,0,2]=3 1890 B11R1.24 CCCOc1cccc(c1)F 7a_100000210426_100000210303 [0,1,0,0,0,0|0,0,2]=3 1891 B11R1.24 CCCOc1cccc(c1)I 34a_100000211634_100000210303 [0,1,0,0,0,0|0,0,2]=3 1892 B11R1.24 CCCOc1cccc(c1)I 7a_100000211634_100000210303 [0,1,0,0,0,0|0,0,2]=3 1893 B11R1.24 CCCOc1cccc(c1)N 34a_100000210217_100000210303 [0,1,0,0,0,0|0,0,2]=3 1894 B11R1.24 CCCOc1cccc(c1)O 271570a_203496583355_100000170004 [0,1,0,0,0,0|0,0,2]=3 1895 B11R1.24 CCCOc1cccc(n1)F 34a_100011432558_100000210303 [0,1,0,0,0,0|1,0,2]=4 1896 B11R1.24 CCCOc1cccc(n1)O 271570a_203496583355_200011960250 [0,1,0,0,0,0|1,0,2]=4 1897 B11R1.24 CCCOc1ccnc(c1)C 34a_100000688365_100000210303 [0,1,0,0,0,0|1,0,2]=4 1898 B11R1.24 CCCOc1ccnc(c1)Cl 34a_100000762945_100000210303 [0,1,0,0,0,0|1,0,2]=4 1899 B11R1.24 CCCOc1ccnc(c1)F 34a_100000732698_100000210303 [0,1,0,0,0,0|1,0,2]=4 1900 B11R1.24 CCCOc1ccnc(c1)N 34a_100011834064_100000210303 [0,1,0,0,0,0|1,0,2]=4 1901 B11R1.24 CCCOc1cncc(c1)Br 34a_100000754920_100000210303 [0,1,0,0,0,0|1,0,2]=4 1902 B11R1.24 CCCOc1cncc(c1)Br 7a_100000754920_100000210303 [0,1,0,0,0,0|1,0,2]=4 1903 B11R1.24 CCCOc1cncc(c1)C 34a_100011830280_100000210303 [0,1,0,0,0,0|1,0,2]=4 1904 B11R1.24 CCCOc1cncc(c1)C 7a_100011830280_100000210303 [0,1,0,0,0,0|1,0,2]=4 1905 B11R1.24 CCCOc1cncc(c1)Cl 7a_100000032511_100000210303 [0,1,0,0,0,0|1,0,2]=4 1906 B11R1.24 CCCOc1cncc(c1)F 34a_100011830296_100000210303 [0,1,0,0,0,0|1,0,2]=4 1907 B11R1.24 CCCOc1cncc(c1)F 7a_100011830296_100000210303 [0,1,0,0,0,0|1,0,2]=4 1908 B11R1.24 CCCOc1cncc(c1)N 34a_100011997051_100000210303 [0,1,0,0,0,0|1,0,2]=4 1909 B11R1.24 CCCOc1cncc(c1)O 271570a_203496583355_200012029621 [0,1,0,0,0,0|1,0,2]=4 1910 B11R1.24 CCCSc1cccc(c1)Br 62a_100000210303_100000691529 [0,1,0,0,0,0|0,1,2]=4 1911 B11R1.24 CCCSc1cccc(c1)Br 62a_100000691529_100000210303 [0,1,0,0,0,0|0,1,2]=4 1912 B11R1.24 CCCSc1cccc(c1)C 62a_100000210303_100011215228 [0,1,0,0,0,0|0,1,2]=4 1913 B11R1.24 CCCSc1cccc(c1)C 62a_100011215228_100000210303 [0,1,0,0,0,0|0,1,2]=4 1914 B11R1.24 CCCSc1cccc(c1)Cl 62a_100000210303_100000699651 [0,1,0,0,0,0|0,1,2]=4 1915 B11R1.24 CCCSc1cccc(c1)Cl 62a_100000699651_100000210303 [0,1,0,0,0,0|0,1,2]=4 1916 B11R1.24 CCCSc1cccc(c1)F 62a_100000210303_100000685547 [0,1,0,0,0,0|0,1,2]=4 1917 B11R1.24 CCCSc1cccc(c1)F 62a_100000685547_100000210303 [0,1,0,0,0,0|0,1,2]=4 1918 B11R1.24 CCCSc1cccc(c1)N 62a_100000210019_100000210303 [0,1,0,0,0,0|0,1,2]=4 1919 B11R1.24 CCCSc1cccc(c1)N 62a_100000210303_100000210019 [0,1,0,0,0,0|0,1,2]=4 1920 B11R1.24 CCCSc1cccc(c1)O 271570a_203496583355_200009815762 [0,1,0,0,0,0|0,1,2]=4 1921 B11R1.24 CCCSc1cccc(c1)O 62a_100000210303_100000211634 [0,1,0,0,0,0|0,1,2]=4 1922 B11R1.24 CCCSc1cccc(c1)[S] 62a_100000210303_114929384022 [0,1,0,0,0,0|0,1,2]=4 1923 B11R1.24 CCCSc1cccc(c1)[S] 62a_114929384022_100000210303 [0,1,0,0,0,0|0,1,2]=4 1924 B11R1.24 CNCCc1cccc(c1)Br 2230a_100011207229_200000210301 [0,1,0,0,0,0|2,0,1]=4 1925 B11R1.24 CNCCc1cccc(c1)Br 2230a_106832991635_100011740638 [0,1,0,0,0,0|2,0,1]=4 1926 B11R1.24 CNCCc1cccc(c1)Br 34a_100011207229_200000210301 [0,1,0,0,0,0|2,0,1]=4 1927 B11R1.24 CNCCc1cccc(c1)Br 34a_100102657272_100011740638 [0,1,0,0,0,0|2,0,1]=4 1928 B11R1.24 CNCCc1cccc(c1)Br 7a_106832991635_100011740638 [0,1,0,0,0,0|2,0,1]=4 1929 B11R1.24 CNCCc1cccc(c1)C 2230a_100000749837_200000210301 [0,1,0,0,0,0|2,0,1]=4 1930 B11R1.24 CNCCc1cccc(c1)C 2230a_106832991635_100011713685 [0,1,0,0,0,0|2,0,1]=4 1931 B11R1.24 CNCCc1cccc(c1)C 34a_100000749837_200000210301 [0,1,0,0,0,0|2,0,1]=4 1932 B11R1.24 CNCCc1cccc(c1)C 34a_100102657272_100011713685 [0,1,0,0,0,0|2,0,1]=4 1933 B11R1.24 CNCCc1cccc(c1)C 7a_106832991635_100011713685 [0,1,0,0,0,0|2,0,1]=4 1934 B11R1.24 CNCCc1cccc(c1)Cl 2230a_100000185263_200000210301 [0,1,0,0,0,0|2,0,1]=4 1935 B11R1.24 CNCCc1cccc(c1)Cl 2230a_106832991635_100011713710 [0,1,0,0,0,0|2,0,1]=4 1936 B11R1.24 CNCCc1cccc(c1)Cl 34a_100000185263_200000210301 [0,1,0,0,0,0|2,0,1]=4 1937 B11R1.24 CNCCc1cccc(c1)Cl 34a_100102657272_100011713710 [0,1,0,0,0,0|2,0,1]=4 1938 B11R1.24 CNCCc1cccc(c1)Cl 7a_106832991635_100011713710 [0,1,0,0,0,0|2,0,1]=4 1939 B11R1.24 CNCCc1cccc(c1)F 2230a_100000205154_200000210301 [0,1,0,0,0,0|2,0,1]=4 1940 B11R1.24 CNCCc1cccc(c1)F 2230a_106832991635_100011217235 [0,1,0,0,0,0|2,0,1]=4 1941 B11R1.24 CNCCc1cccc(c1)F 34a_100000205154_200000210301 [0,1,0,0,0,0|2,0,1]=4 1942 B11R1.24 CNCCc1cccc(c1)F 34a_100102657272_100011217235 [0,1,0,0,0,0|2,0,1]=4 1943 B11R1.24 CNCCc1cccc(c1)F 7a_106832991635_100011217235 [0,1,0,0,0,0|2,0,1]=4 1944 B11R1.24 CNCCc1cccc(c1)O 2230a_100000747277_200000210301 [0,1,0,0,0,0|2,0,1]=4 1945 B11R1.24 CNCCc1cccc(c1)O 34a_100000747277_200000210301 [0,1,0,0,0,0|2,0,1]=4 1946 B11R1.24 COCCc1cccc(c1)Br 34a_100011217444_200000210301 [0,1,0,0,0,0|2,0,1]=4 1947 B11R1.24 COCCc1cccc(c1)Br 34a_100138415774_100011740638 [0,1,0,0,0,0|2,0,1]=4 1948 B11R1.24 COCCc1cccc(c1)Br 7a_100011217444_200000210301 [0,1,0,0,0,0|2,0,1]=4 1949 B11R1.24 COCCc1cccc(c1)C 34a_100011217157_200000210301 [0,1,0,0,0,0|2,0,1]=4 1950 B11R1.24 COCCc1cccc(c1)C 34a_100138415774_100011713685 [0,1,0,0,0,0|2,0,1]=4 1951 B11R1.24 COCCc1cccc(c1)C 7a_100011217157_200000210301 [0,1,0,0,0,0|2,0,1]=4 1952 B11R1.24 COCCc1cccc(c1)Cl 34a_100000754733_200000210301 [0,1,0,0,0,0|2,0,1]=4 1953 B11R1.24 COCCc1cccc(c1)Cl 34a_100138415774_100011713710 [0,1,0,0,0,0|2,0,1]=4 1954 B11R1.24 COCCc1cccc(c1)Cl 7a_100000754733_200000210301 [0,1,0,0,0,0|2,0,1]=4 1955 B11R1.24 COCCc1cccc(c1)F 34a_100000763591_200000210301 [0,1,0,0,0,0|2,0,1]=4 1956 B11R1.24 COCCc1cccc(c1)F 34a_100138415774_100011217235 [0,1,0,0,0,0|2,0,1]=4 1957 B11R1.24 COCCc1cccc(c1)F 7a_100000763591_200000210301 [0,1,0,0,0,0|2,0,1]=4 1958 B11R1.24 COCCc1cccc(c1)N 34a_100011996697_200000210301 [0,1,0,0,0,0|2,0,1]=4 1959 B11R1.24 COCNc1cccc(c1)C 2230a_100000188690_100000766300 [0,1,0,0,0,0|2,0,1]=4 1960 B11R1.24 COCOc1cccc(c1)O 271570a_203496583355_100012265688 [0,1,0,0,0,0|1,0,1]=3 1961 B11R1.24 COCSc1cccc(c1)Br 62a_100000691529_100000766300 [0,1,0,0,0,0|1,1,1]=4 1962 B11R1.24 COCSc1cccc(c1)Br 62a_100000766300_100000691529 [0,1,0,0,0,0|1,1,1]=4 1963 B11R1.24 COCSc1cccc(c1)C 62a_100000766300_100011215228 [0,1,0,0,0,0|1,1,1]=4 1964 B11R1.24 COCSc1cccc(c1)C 62a_100011215228_100000766300 [0,1,0,0,0,0|1,1,1]=4 1965 B11R1.24 COCSc1cccc(c1)Cl 62a_100000699651_100000766300 [0,1,0,0,0,0|1,1,1]=4 1966 B11R1.24 COCSc1cccc(c1)Cl 62a_100000766300_100000699651 [0,1,0,0,0,0|1,1,1]=4 1967 B11R1.24 COCSc1cccc(c1)F 62a_100000685547_100000766300 [0,1,0,0,0,0|1,1,1]=4 1968 B11R1.24 COCSc1cccc(c1)F 62a_100000766300_100000685547 [0,1,0,0,0,0|1,1,1]=4 1969 B11R1.24 COCSc1cccc(c1)N 62a_100000210019_100000766300 [0,1,0,0,0,0|1,1,1]=4 1970 B11R1.24 COCSc1cccc(c1)N 62a_100000766300_100000210019 [0,1,0,0,0,0|1,1,1]=4 1971 B11R1.24 COCSc1cccc(c1)O 62a_100000766300_100000211634 [0,1,0,0,0,0|1,1,1]=4 1972 B11R1.24 COCSc1cccc(c1)[S] 62a_100000766300_114929384022 [0,1,0,0,0,0|1,1,1]=4 1973 B11R1.24 COCSc1cccc(c1)[S] 62a_114929384022_100000766300 [0,1,0,0,0,0|1,1,1]=4 1974 B11R1.24 CSCCc1cccc(c1)Br 62a_100011740638_200000210301 [0,1,0,0,0,0|2,0,1]=4 1975 B11R1.24 CSCCc1cccc(c1)Br 62a_200000210301_100011740638 [0,1,0,0,0,0|2,0,1]=4 1976 B11R1.24 CSCCc1cccc(c1)C 62a_100011713685_200000210301 [0,1,0,0,0,0|2,0,1]=4 1977 B11R1.24 CSCCc1cccc(c1)C 62a_200000210301_100011713685 [0,1,0,0,0,0|2,0,1]=4 1978 B11R1.24 CSCCc1cccc(c1)Cl 62a_100011713710_200000210301 [0,1,0,0,0,0|2,0,1]=4 1979 B11R1.24 CSCCc1cccc(c1)Cl 62a_200000210301_100011713710 [0,1,0,0,0,0|2,0,1]=4 1980 B11R1.24 CSCCc1cccc(c1)F 62a_100011217235_200000210301 [0,1,0,0,0,0|2,0,1]=4 1981 B11R1.24 CSCCc1cccc(c1)F 62a_200000210301_100011217235 [0,1,0,0,0,0|2,0,1]=4 1982 B11R1.24 CSCNc1cccc(c1)Br 34a_100000210019_100011218213 [0,1,0,0,0,0|2,0,1]=4 1983 B11R1.24 CSCNc1cccc(c1)C 2230a_100000188690_100011218213 [0,1,0,0,0,0|2,0,1]=4 1984 B11R1.24 CSCNc1cccc(c1)C 34a_100000188690_100011218213 [0,1,0,0,0,0|2,0,1]=4 1985 B11R1.24 CSCNc1cccc(c1)Cl 34a_100000185859_100011218213 [0,1,0,0,0,0|2,0,1]=4 1986 B11R1.24 CSCNc1cccc(c1)F 34a_100000210047_100011218213 [0,1,0,0,0,0|2,0,1]=4 1987 B11R1.24 CSCNc1cccc(c1)I 34a_100000211102_100011218213 [0,1,0,0,0,0|2,0,1]=4 1988 B11R1.24 CSCNc1cccc(c1)O 34a_100000210217_100011218213 [0,1,0,0,0,0|2,0,1]=4 1989 B11R1.24 CSCOc1cc[nH]c(=O)c1 34a_100000032262_100011218213 [0,1,0,0,0,0|2,0,1]=4 1990 B11R1.24 CSCOc1ccc[n+](c1)[O-] 34a_100000039713_100011218213 [0,1,0,0,0,0|2,0,1]=4 1991 B11R1.24 CSCOc1cccc(=O)[nH]1 34a_100000033347_100011218213 [0,1,0,0,0,0|2,0,1]=4 1992 B11R1.24 CSCOc1cccc(c1)Br 34a_100000210342_100011218213 [0,1,0,0,0,0|1,0,1]=3 1993 B11R1.24 CSCOc1cccc(c1)C 34a_100000210337_100011218213 [0,1,0,0,0,0|1,0,1]=3 1994 B11R1.24 CSCOc1cccc(c1)Cl 34a_100000210295_100011218213 [0,1,0,0,0,0|1,0,1]=3 1995 B11R1.24 CSCOc1cccc(c1)F 34a_100000210426_100011218213 [0,1,0,0,0,0|1,0,1]=3 1996 B11R1.24 CSCOc1cccc(c1)I 34a_100000211634_100011218213 [0,1,0,0,0,0|1,0,1]=3 1997 B11R1.24 CSCOc1cccc(c1)N 34a_100000210217_100011218213 [0,1,0,0,0,0|1,0,1]=3 1998 B11R1.24 CSCOc1cccc(n1)F 34a_100011432558_100011218213 [0,1,0,0,0,0|2,0,1]=4 1999 B11R1.24 CSCOc1ccnc(c1)C 34a_100000688365_100011218213 [0,1,0,0,0,0|2,0,1]=4 2000 B11R1.24 CSCOc1ccnc(c1)Cl 34a_100000762945_100011218213 [0,1,0,0,0,0|2,0,1]=4 2001 B11R1.24 CSCOc1ccnc(c1)F 34a_100000732698_100011218213 [0,1,0,0,0,0|2,0,1]=4 2002 B11R1.24 CSCOc1ccnc(c1)N 34a_100011834064_100011218213 [0,1,0,0,0,0|2,0,1]=4 2003 B11R1.24 CSCOc1cncc(c1)Br 34a_100000754920_100011218213 [0,1,0,0,0,0|2,0,1]=4 2004 B11R1.24 CSCOc1cncc(c1)C 34a_100011830280_100011218213 [0,1,0,0,0,0|2,0,1]=4 2005 B11R1.24 CSCOc1cncc(c1)F 34a_100011830296_100011218213 [0,1,0,0,0,0|2,0,1]=4 2006 B11R1.24 CSCOc1cncc(c1)N 34a_100011997051_100011218213 [0,1,0,0,0,0|2,0,1]=4 2007 B11R1.24 CSCSc1cccc(c1)Br 62a_100000691529_100011218213 [0,1,0,0,0,0|1,1,1]=4 2008 B11R1.24 CSCSc1cccc(c1)Br 62a_100011218213_100000691529 [0,1,0,0,0,0|1,1,1]=4 2009 B11R1.24 CSCSc1cccc(c1)C 62a_100011215228_100011218213 [0,1,0,0,0,0|1,1,1]=4 2010 B11R1.24 CSCSc1cccc(c1)C 62a_100011218213_100011215228 [0,1,0,0,0,0|1,1,1]=4 2011 B11R1.24 CSCSc1cccc(c1)Cl 62a_100000699651_100011218213 [0,1,0,0,0,0|1,1,1]=4 2012 B11R1.24 CSCSc1cccc(c1)Cl 62a_100011218213_100000699651 [0,1,0,0,0,0|1,1,1]=4 2013 B11R1.24 CSCSc1cccc(c1)F 62a_100000685547_100011218213 [0,1,0,0,0,0|1,1,1]=4 2014 B11R1.24 CSCSc1cccc(c1)F 62a_100011218213_100000685547 [0,1,0,0,0,0|1,1,1]=4 2015 B11R1.24 CSCSc1cccc(c1)N 62a_100000210019_100011218213 [0,1,0,0,0,0|1,1,1]=4 2016 B11R1.24 CSCSc1cccc(c1)N 62a_100011218213_100000210019 [0,1,0,0,0,0|1,1,1]=4 2017 B11R1.24 CSCSc1cccc(c1)O 62a_100011218213_100000211634 [0,1,0,0,0,0|1,1,1]=4 2018 B11R1.24 CSCSc1cccc(c1)[S] 62a_100011218213_114929384022 [0,1,0,0,0,0|1,1,1]=4 2019 B11R1.24 CSCSc1cccc(c1)[S] 62a_114929384022_100011218213 [0,1,0,0,0,0|1,1,1]=4 2020 B11R1.24 C[n+]1cccc(c1)SCC=O 62a_100009996589_200015260668 [0,1,0,0,0,0|2,1,0]=4 2021 B11R1.24 C[n+]1cccc(c1)SCC=O 62a_200015260668_100009996589 [0,1,0,0,0,0|2,1,0]=4 2022 B11R1.24 Cc1cc(ccn1)OCC=O 34a_100000688365_200009817547 [0,1,0,0,0,0|2,0,0]=3 2023 B11R1.24 Cc1cc(ccn1)OCCF 34a_100000688365_100011217306 [0,1,0,0,0,0|2,0,1]=4 2024 B11R1.24 Cc1cc(ccn1)OCCO 34a_100000688365_100000211926 [0,1,0,0,0,0|2,0,1]=4 2025 B11R1.24 Cc1cc(ccn1)SCC=O 62a_100000758586_200015260668 [0,1,0,0,0,0|2,1,0]=4 2026 B11R1.24 Cc1cc(ccn1)SCC=O 62a_200015260668_100000758586 [0,1,0,0,0,0|2,1,0]=4 2027 B11R1.24 Cc1cccc(c1)CCN[13CH3] 2230a_100000749837_200025704644 [0,1,0,0,0,0|2,0,1]=4 2028 B11R1.24 Cc1cccc(c1)CCN[13CH3] 34a_100000749837_200025704644 [0,1,0,0,0,0|2,0,1]=4 2029 B11R1.24 Cc1cccc(c1)CCO[13CH3] 34a_100011217157_200025704644 [0,1,0,0,0,0|2,0,1]=4 2030 B11R1.24 Cc1cccc(c1)CCO[13CH3] 7a_100011217157_200025704644 [0,1,0,0,0,0|2,0,1]=4 2031 B11R1.24 Cc1cccc(c1)CCS[13CH3] 62a_100011713685_200025704644 [0,1,0,0,0,0|2,0,1]=4 2032 B11R1.24 Cc1cccc(c1)CCS[13CH3] 62a_200025704644_100011713685 [0,1,0,0,0,0|2,0,1]=4 2033 B11R1.24 Cc1cccc(c1)NCC#N 2230a_100000188690_100011215382 [0,1,0,0,0,0|2,0,1]=4 2034 B11R1.24 Cc1cccc(c1)NCC=O 2230a_100000188690_200015260668 [0,1,0,0,0,0|2,0,0]=3 2035 B11R1.24 Cc1cccc(c1)NCC=O 34a_100000188690_200009817547 [0,1,0,0,0,0|2,0,0]=3 2036 B11R1.24 Cc1cccc(c1)NCCF 2230a_100000188690_100011217306 [0,1,0,0,0,0|2,0,1]=4 2037 B11R1.24 Cc1cccc(c1)NCCF 34a_100000188690_100011217306 [0,1,0,0,0,0|2,0,1]=4 2038 B11R1.24 Cc1cccc(c1)NCCO 2230a_100000188690_100000211926 [0,1,0,0,0,0|2,0,1]=4 2039 B11R1.24 Cc1cccc(c1)NCCO 34a_100000188690_100000211926 [0,1,0,0,0,0|2,0,1]=4 2040 B11R1.24 Cc1cccc(c1)OCC#N 7a_100000210337_100011215382 [0,1,0,0,0,0|1,0,1]=3 2041 B11R1.24 Cc1cccc(c1)OCC=O 34a_100000210337_200009817547 [0,1,0,0,0,0|1,0,0]=2 2042 B11R1.24 Cc1cccc(c1)OCC=O 7a_100000210337_200015260668 [0,1,0,0,0,0|1,0,0]=2 2043 B11R1.24 Cc1cccc(c1)OCCF 34a_100000210337_100011217306 [0,1,0,0,0,0|1,0,1]=3 2044 B11R1.24 Cc1cccc(c1)OCCF 7a_100000210337_100011217306 [0,1,0,0,0,0|1,0,1]=3 2045 B11R1.24 Cc1cccc(c1)OCCO 34a_100000210337_100000211926 [0,1,0,0,0,0|1,0,1]=3 2046 B11R1.24 Cc1cccc(c1)OCCO 7a_100000210337_100000211926 [0,1,0,0,0,0|1,0,1]=3 2047 B11R1.24 Cc1cccc(c1)SCC#N 62a_100011215228_100011215382 [0,1,0,0,0,0|1,1,1]=4 2048 B11R1.24 Cc1cccc(c1)SCC#N 62a_100011215382_100011215228 [0,1,0,0,0,0|1,1,1]=4 2049 B11R1.24 Cc1cccc(c1)SCC=O 62a_100011215228_200015260668 [0,1,0,0,0,0|1,1,0]=3 2050 B11R1.24 Cc1cccc(c1)SCC=O 62a_200015260668_100011215228 [0,1,0,0,0,0|1,1,0]=3 2051 B11R1.24 Cc1cccc(c1)SCCF 62a_100011215228_100011217306 [0,1,0,0,0,0|1,1,1]=4 2052 B11R1.24 Cc1cccc(c1)SCCF 62a_100011217306_100011215228 [0,1,0,0,0,0|1,1,1]=4 2053 B11R1.24 Cc1cccc(c1)SCCO 62a_100000211926_100011215228 [0,1,0,0,0,0|1,1,1]=4 2054 B11R1.24 Cc1cccc(c1)SCCO 62a_100011215228_100000211926 [0,1,0,0,0,0|1,1,1]=4 2055 B11R1.24 Cc1cccc(n1)SCC=O 62a_100000742759_200015260668 [0,1,0,0,0,0|2,1,0]=4 2056 B11R1.24 Cc1cccc(n1)SCC=O 62a_200015260668_100000742759 [0,1,0,0,0,0|2,1,0]=4 2057 B11R1.24 Cc1ccnc(c1)SCC=O 62a_100000750283_200015260668 [0,1,0,0,0,0|2,1,0]=4 2058 B11R1.24 Cc1ccnc(c1)SCC=O 62a_200015260668_100000750283 [0,1,0,0,0,0|2,1,0]=4 2059 B11R1.24 Cc1cncc(c1)OCC#N 7a_100011830280_100011215382 [0,1,0,0,0,0|2,0,1]=4 2060 B11R1.24 Cc1cncc(c1)OCC=O 34a_100011830280_200009817547 [0,1,0,0,0,0|2,0,0]=3 2061 B11R1.24 Cc1cncc(c1)OCC=O 7a_100011830280_200015260668 [0,1,0,0,0,0|2,0,0]=3 2062 B11R1.24 Cc1cncc(c1)OCCF 34a_100011830280_100011217306 [0,1,0,0,0,0|2,0,1]=4 2063 B11R1.24 Cc1cncc(c1)OCCF 7a_100011830280_100011217306 [0,1,0,0,0,0|2,0,1]=4 2064 B11R1.24 Cc1cncc(c1)OCCO 34a_100011830280_100000211926 [0,1,0,0,0,0|2,0,1]=4 2065 B11R1.24 Cc1cncc(c1)OCCO 7a_100011830280_100000211926 [0,1,0,0,0,0|2,0,1]=4 2066 B11R1.24 Cc1cncc(c1)SCC=O 62a_100000760492_200015260668 [0,1,0,0,0,0|2,1,0]=4 2067 B11R1.24 Cc1cncc(c1)SCC=O 62a_200015260668_100000760492 [0,1,0,0,0,0|2,1,0]=4 2068 B11R1.24 Cc1cnnc(c1)OCC=O 34a_100000766097_200009817547 [0,1,0,0,0,0|3,0,0]=4 2069 B11R1.24 FCCNc1cccc(c1)Br 34a_100000210019_100011217306 [0,1,0,0,0,0|2,0,1]=4 2070 B11R1.24 FCCNc1cccc(c1)Cl 34a_100000185859_100011217306 [0,1,0,0,0,0|2,0,1]=4 2071 B11R1.24 FCCNc1cccc(c1)F 34a_100000210047_100011217306 [0,1,0,0,0,0|2,0,1]=4 2072 B11R1.24 FCCNc1cccc(c1)I 34a_100000211102_100011217306 [0,1,0,0,0,0|2,0,1]=4 2073 B11R1.24 FCCOc1cccc(c1)Br 34a_100000210342_100011217306 [0,1,0,0,0,0|1,0,1]=3 2074 B11R1.24 FCCOc1cccc(c1)Br 7a_100000210342_100011217306 [0,1,0,0,0,0|1,0,1]=3 2075 B11R1.24 FCCOc1cccc(c1)Cl 34a_100000210295_100011217306 [0,1,0,0,0,0|1,0,1]=3 2076 B11R1.24 FCCOc1cccc(c1)Cl 7a_100000210295_100011217306 [0,1,0,0,0,0|1,0,1]=3 2077 B11R1.24 FCCOc1cccc(c1)F 34a_100000210426_100011217306 [0,1,0,0,0,0|1,0,1]=3 2078 B11R1.24 FCCOc1cccc(c1)F 7a_100000210426_100011217306 [0,1,0,0,0,0|1,0,1]=3 2079 B11R1.24 FCCOc1cccc(c1)I 34a_100000211634_100011217306 [0,1,0,0,0,0|1,0,1]=3 2080 B11R1.24 FCCOc1cccc(c1)I 7a_100000211634_100011217306 [0,1,0,0,0,0|1,0,1]=3 2081 B11R1.24 FCCOc1cccc(n1)F 34a_100011432558_100011217306 [0,1,0,0,0,0|2,0,1]=4 2082 B11R1.24 FCCOc1ccnc(c1)Cl 34a_100000762945_100011217306 [0,1,0,0,0,0|2,0,1]=4 2083 B11R1.24 FCCOc1ccnc(c1)F 34a_100000732698_100011217306 [0,1,0,0,0,0|2,0,1]=4 2084 B11R1.24 FCCOc1cncc(c1)Br 34a_100000754920_100011217306 [0,1,0,0,0,0|2,0,1]=4 2085 B11R1.24 FCCOc1cncc(c1)Br 7a_100000754920_100011217306 [0,1,0,0,0,0|2,0,1]=4 2086 B11R1.24 FCCOc1cncc(c1)Cl 7a_100000032511_100011217306 [0,1,0,0,0,0|2,0,1]=4 2087 B11R1.24 FCCOc1cncc(c1)F 34a_100011830296_100011217306 [0,1,0,0,0,0|2,0,1]=4 2088 B11R1.24 FCCOc1cncc(c1)F 7a_100011830296_100011217306 [0,1,0,0,0,0|2,0,1]=4 2089 B11R1.24 FCCSc1cccc(c1)Br 62a_100000691529_100011217306 [0,1,0,0,0,0|1,1,1]=4 2090 B11R1.24 FCCSc1cccc(c1)Br 62a_100011217306_100000691529 [0,1,0,0,0,0|1,1,1]=4 2091 B11R1.24 FCCSc1cccc(c1)Cl 62a_100000699651_100011217306 [0,1,0,0,0,0|1,1,1]=4 2092 B11R1.24 FCCSc1cccc(c1)Cl 62a_100011217306_100000699651 [0,1,0,0,0,0|1,1,1]=4 2093 B11R1.24 FCCSc1cccc(c1)F 62a_100000685547_100011217306 [0,1,0,0,0,0|1,1,1]=4 2094 B11R1.24 FCCSc1cccc(c1)F 62a_100011217306_100000685547 [0,1,0,0,0,0|1,1,1]=4 2095 B11R1.24 FCCSc1cccc(c1)[S] 62a_100011217306_114929384022 [0,1,0,0,0,0|1,1,1]=4 2096 B11R1.24 FCCSc1cccc(c1)[S] 62a_114929384022_100011217306 [0,1,0,0,0,0|1,1,1]=4 2097 B11R1.24 N#CCCc1cccc(c1)O 271570a_203496583355_100011219771 [0,1,0,0,0,0|2,0,1]=4 2098 B11R1.24 N#CCOc1ccc[n+](c1)[O-] 7a_100000039713_100011215382 [0,1,0,0,0,0|2,0,1]=4 2099 B11R1.24 N#CCOc1cccc(c1)Br 7a_100000210342_100011215382 [0,1,0,0,0,0|1,0,1]=3 2100 B11R1.24 N#CCOc1cccc(c1)Cl 7a_100000210295_100011215382 [0,1,0,0,0,0|1,0,1]=3 2101 B11R1.24 N#CCOc1cccc(c1)F 7a_100000210426_100011215382 [0,1,0,0,0,0|1,0,1]=3 2102 B11R1.24 N#CCOc1cccc(c1)I 7a_100000211634_100011215382 [0,1,0,0,0,0|1,0,1]=3 2103 B11R1.24 N#CCOc1cccc(c1)O 271570a_203496583355_200000169433 [0,1,0,0,0,0|1,0,1]=3 2104 B11R1.24 N#CCOc1cncc(c1)Br 7a_100000754920_100011215382 [0,1,0,0,0,0|2,0,1]=4 2105 B11R1.24 N#CCOc1cncc(c1)Cl 7a_100000032511_100011215382 [0,1,0,0,0,0|2,0,1]=4 2106 B11R1.24 N#CCOc1cncc(c1)F 7a_100011830296_100011215382 [0,1,0,0,0,0|2,0,1]=4 2107 B11R1.24 N#CCSc1cccc(c1)Br 62a_100000691529_100011215382 [0,1,0,0,0,0|1,1,1]=4 2108 B11R1.24 N#CCSc1cccc(c1)Br 62a_100011215382_100000691529 [0,1,0,0,0,0|1,1,1]=4 2109 B11R1.24 N#CCSc1cccc(c1)Cl 62a_100000699651_100011215382 [0,1,0,0,0,0|1,1,1]=4 2110 B11R1.24 N#CCSc1cccc(c1)Cl 62a_100011215382_100000699651 [0,1,0,0,0,0|1,1,1]=4 2111 B11R1.24 N#CCSc1cccc(c1)F 62a_100000685547_100011215382 [0,1,0,0,0,0|1,1,1]=4 2112 B11R1.24 N#CCSc1cccc(c1)F 62a_100011215382_100000685547 [0,1,0,0,0,0|1,1,1]=4 2113 B11R1.24 N#CCSc1cccc(c1)N 62a_100000210019_100011215382 [0,1,0,0,0,0|1,1,1]=4 2114 B11R1.24 N#CCSc1cccc(c1)N 62a_100011215382_100000210019 [0,1,0,0,0,0|1,1,1]=4 2115 B11R1.24 N#CCSc1cccc(c1)O 271570a_203496583355_200011756096 [0,1,0,0,0,0|1,1,1]=4 2116 B11R1.24 N#CCSc1cccc(c1)O 62a_100011215382_100000211634 [0,1,0,0,0,0|1,1,1]=4 2117 B11R1.24 N#CCSc1cccc(c1)[S] 62a_100011215382_114929384022 [0,1,0,0,0,0|1,1,1]=4 2118 B11R1.24 N#CCSc1cccc(c1)[S] 62a_114929384022_100011215382 [0,1,0,0,0,0|1,1,1]=4 2119 B11R1.24 NCCCc1cccc(c1)O 271570a_203496583355_100000753791 [0,1,0,0,0,0|2,0,1]=4 2120 B11R1.24 NCCOc1cccc(c1)O 271570a_203496583355_100000743521 [0,1,0,0,0,0|1,0,1]=3 2121 B11R1.24 Nc1cc(ccn1)OCC=O 34a_100011834064_200009817547 [0,1,0,0,0,0|2,0,0]=3 2122 B11R1.24 Nc1cc(ccn1)OCCF 34a_100011834064_100011217306 [0,1,0,0,0,0|2,0,1]=4 2123 B11R1.24 Nc1cc(ccn1)OCCO 34a_100011834064_100000211926 [0,1,0,0,0,0|2,0,1]=4 2124 B11R1.24 Nc1cc(ccn1)SCC=O 62a_100000049665_200015260668 [0,1,0,0,0,0|2,1,0]=4 2125 B11R1.24 Nc1cc(ccn1)SCC=O 62a_200015260668_100000049665 [0,1,0,0,0,0|2,1,0]=4 2126 B11R1.24 Nc1cc(cnn1)OCC=O 34a_200015193112_200009817547 [0,1,0,0,0,0|3,0,0]=4 2127 B11R1.24 Nc1cccc(c1)OCC=O 34a_100000210217_200009817547 [0,1,0,0,0,0|1,0,0]=2 2128 B11R1.24 Nc1cccc(c1)OCCF 34a_100000210217_100011217306 [0,1,0,0,0,0|1,0,1]=3 2129 B11R1.24 Nc1cccc(c1)OCCO 34a_100000210217_100000211926 [0,1,0,0,0,0|1,0,1]=3 2130 B11R1.24 Nc1cccc(c1)SCC=O 62a_100000210019_200015260668 [0,1,0,0,0,0|1,1,0]=3 2131 B11R1.24 Nc1cccc(c1)SCC=O 62a_200015260668_100000210019 [0,1,0,0,0,0|1,1,0]=3 2132 B11R1.24 Nc1cccc(c1)SCCF 62a_100000210019_100011217306 [0,1,0,0,0,0|1,1,1]=4 2133 B11R1.24 Nc1cccc(c1)SCCF 62a_100011217306_100000210019 [0,1,0,0,0,0|1,1,1]=4 2134 B11R1.24 Nc1cccc(c1)SCCO 62a_100000210019_100000211926 [0,1,0,0,0,0|1,1,1]=4 2135 B11R1.24 Nc1cccc(c1)SCCO 62a_100000211926_100000210019 [0,1,0,0,0,0|1,1,1]=4 2136 B11R1.24 Nc1cccc(n1)SCC=O 62a_100000740741_200015260668 [0,1,0,0,0,0|2,1,0]=4 2137 B11R1.24 Nc1cccc(n1)SCC=O 62a_200015260668_100000740741 [0,1,0,0,0,0|2,1,0]=4 2138 B11R1.24 Nc1ccnc(c1)SCC=O 62a_100009814236_200015260668 [0,1,0,0,0,0|2,1,0]=4 2139 B11R1.24 Nc1ccnc(c1)SCC=O 62a_200015260668_100009814236 [0,1,0,0,0,0|2,1,0]=4 2140 B11R1.24 Nc1cncc(c1)OCC=O 34a_100011997051_200009817547 [0,1,0,0,0,0|2,0,0]=3 2141 B11R1.24 Nc1cncc(c1)OCCF 34a_100011997051_100011217306 [0,1,0,0,0,0|2,0,1]=4 2142 B11R1.24 Nc1cncc(c1)OCCO 34a_100011997051_100000211926 [0,1,0,0,0,0|2,0,1]=4 2143 B11R1.24 Nc1cncc(c1)SCC=O 62a_100000687067_200015260668 [0,1,0,0,0,0|2,1,0]=4 2144 B11R1.24 Nc1cncc(c1)SCC=O 62a_200015260668_100000687067 [0,1,0,0,0,0|2,1,0]=4 2145 B11R1.24 O=CCNc1cccc(c1)Br 34a_100000210019_200009817547 [0,1,0,0,0,0|2,0,0]=3 2146 B11R1.24 O=CCNc1cccc(c1)Cl 34a_100000185859_200009817547 [0,1,0,0,0,0|2,0,0]=3 2147 B11R1.24 O=CCNc1cccc(c1)F 34a_100000210047_200009817547 [0,1,0,0,0,0|2,0,0]=3 2148 B11R1.24 O=CCNc1cccc(c1)I 34a_100000211102_200009817547 [0,1,0,0,0,0|2,0,0]=3 2149 B11R1.24 O=CCNc1cccc(c1)O 34a_100000210217_200009817547 [0,1,0,0,0,0|2,0,0]=3 2150 B11R1.24 O=CCOc1cc[nH]c(=O)c1 34a_100000032262_200009817547 [0,1,0,0,0,0|2,0,0]=3 2151 B11R1.24 O=CCOc1ccc[n+](c1)[O-] 34a_100000039713_200009817547 [0,1,0,0,0,0|2,0,0]=3 2152 B11R1.24 O=CCOc1ccc[n+](c1)[O-] 7a_100000039713_200015260668 [0,1,0,0,0,0|2,0,0]=3 2153 B11R1.24 O=CCOc1cccc(=O)[nH]1 34a_100000033347_200009817547 [0,1,0,0,0,0|2,0,0]=3 2154 B11R1.24 O=CCOc1cccc(c1)Br 34a_100000210342_200009817547 [0,1,0,0,0,0|1,0,0]=2 2155 B11R1.24 O=CCOc1cccc(c1)Br 7a_100000210342_200015260668 [0,1,0,0,0,0|1,0,0]=2 2156 B11R1.24 O=CCOc1cccc(c1)Cl 34a_100000210295_200009817547 [0,1,0,0,0,0|1,0,0]=2 2157 B11R1.24 O=CCOc1cccc(c1)Cl 7a_100000210295_200015260668 [0,1,0,0,0,0|1,0,0]=2 2158 B11R1.24 O=CCOc1cccc(c1)F 34a_100000210426_200009817547 [0,1,0,0,0,0|1,0,0]=2 2159 B11R1.24 O=CCOc1cccc(c1)F 7a_100000210426_200015260668 [0,1,0,0,0,0|1,0,0]=2 2160 B11R1.24 O=CCOc1cccc(c1)I 34a_100000211634_200009817547 [0,1,0,0,0,0|1,0,0]=2 2161 B11R1.24 O=CCOc1cccc(c1)I 7a_100000211634_200015260668 [0,1,0,0,0,0|1,0,0]=2 2162 B11R1.24 O=CCOc1cccc(n1)F 34a_100011432558_200009817547 [0,1,0,0,0,0|2,0,0]=3 2163 B11R1.24 O=CCOc1ccnc(c1)Cl 34a_100000762945_200009817547 [0,1,0,0,0,0|2,0,0]=3 2164 B11R1.24 O=CCOc1ccnc(c1)F 34a_100000732698_200009817547 [0,1,0,0,0,0|2,0,0]=3 2165 B11R1.24 O=CCOc1cncc(c1)Br 34a_100000754920_200009817547 [0,1,0,0,0,0|2,0,0]=3 2166 B11R1.24 O=CCOc1cncc(c1)Br 7a_100000754920_200015260668 [0,1,0,0,0,0|2,0,0]=3 2167 B11R1.24 O=CCOc1cncc(c1)Cl 7a_100000032511_200015260668 [0,1,0,0,0,0|2,0,0]=3 2168 B11R1.24 O=CCOc1cncc(c1)F 34a_100011830296_200009817547 [0,1,0,0,0,0|2,0,0]=3 2169 B11R1.24 O=CCOc1cncc(c1)F 7a_100011830296_200015260668 [0,1,0,0,0,0|2,0,0]=3 2170 B11R1.24 O=CCOc1cnnc(c1)Cl 34a_200010734679_200009817547 [0,1,0,0,0,0|3,0,0]=4 2171 B11R1.24 O=CCSc1cc(=O)cc[nH]1 62a_100009817434_200015260668 [0,1,0,0,0,0|2,1,0]=4 2172 B11R1.24 O=CCSc1cc(ccn1)Cl 62a_100010167805_200015260668 [0,1,0,0,0,0|2,1,0]=4 2173 B11R1.24 O=CCSc1cc(ccn1)Cl 62a_200015260668_100010167805 [0,1,0,0,0,0|2,1,0]=4 2174 B11R1.24 O=CCSc1cc(ccn1)F 62a_100000764206_200015260668 [0,1,0,0,0,0|2,1,0]=4 2175 B11R1.24 O=CCSc1cc(ccn1)F 62a_200015260668_100000764206 [0,1,0,0,0,0|2,1,0]=4 2176 B11R1.24 O=CCSc1cc(ccn1)O 62a_200015260668_100000762945 [0,1,0,0,0,0|2,1,0]=4 2177 B11R1.24 O=CCSc1cc[nH]c(=O)c1 62a_100009816521_200015260668 [0,1,0,0,0,0|2,1,0]=4 2178 B11R1.24 O=CCSc1cc[nH]c(=O)c1 62a_200015260668_100009816521 [0,1,0,0,0,0|2,1,0]=4 2179 B11R1.24 O=CCSc1ccc[n+](c1)[O-] 62a_200015260668_100009815978 [0,1,0,0,0,0|2,1,0]=4 2180 B11R1.24 O=CCSc1cccc(=O)[nH]1 62a_200015260668_100000752884 [0,1,0,0,0,0|2,1,0]=4 2181 B11R1.24 O=CCSc1cccc(c1)Br 62a_100000691529_200015260668 [0,1,0,0,0,0|1,1,0]=3 2182 B11R1.24 O=CCSc1cccc(c1)Br 62a_200015260668_100000691529 [0,1,0,0,0,0|1,1,0]=3 2183 B11R1.24 O=CCSc1cccc(c1)Cl 62a_100000699651_200015260668 [0,1,0,0,0,0|1,1,0]=3 2184 B11R1.24 O=CCSc1cccc(c1)Cl 62a_200015260668_100000699651 [0,1,0,0,0,0|1,1,0]=3 2185 B11R1.24 O=CCSc1cccc(c1)F 62a_100000685547_200015260668 [0,1,0,0,0,0|1,1,0]=3 2186 B11R1.24 O=CCSc1cccc(c1)F 62a_200015260668_100000685547 [0,1,0,0,0,0|1,1,0]=3 2187 B11R1.24 O=CCSc1cccc(c1)O 62a_200015260668_100000211634 [0,1,0,0,0,0|1,1,0]=3 2188 B11R1.24 O=CCSc1cccc(c1)[S] 62a_114929384022_200015260668 [0,1,0,0,0,0|1,1,0]=3 2189 B11R1.24 O=CCSc1cccc(c1)[S] 62a_200015260668_114929384022 [0,1,0,0,0,0|1,1,0]=3 2190 B11R1.24 O=CCSc1cccc(n1)Br 62a_100000684672_200015260668 [0,1,0,0,0,0|2,1,0]=4 2191 B11R1.24 O=CCSc1cccc(n1)Br 62a_200015260668_100000684672 [0,1,0,0,0,0|2,1,0]=4 2192 B11R1.24 O=CCSc1cccc(n1)Cl 62a_100000051397_200015260668 [0,1,0,0,0,0|2,1,0]=4 2193 B11R1.24 O=CCSc1cccc(n1)Cl 62a_200015260668_100000051397 [0,1,0,0,0,0|2,1,0]=4 2194 B11R1.24 O=CCSc1cccc(n1)F 62a_100009815982_200015260668 [0,1,0,0,0,0|2,1,0]=4 2195 B11R1.24 O=CCSc1cccc(n1)F 62a_200015260668_100009815982 [0,1,0,0,0,0|2,1,0]=4 2196 B11R1.24 O=CCSc1ccnc(c1)Br 62a_100009814637_200015260668 [0,1,0,0,0,0|2,1,0]=4 2197 B11R1.24 O=CCSc1ccnc(c1)Br 62a_200015260668_100009814637 [0,1,0,0,0,0|2,1,0]=4 2198 B11R1.24 O=CCSc1ccnc(c1)Cl 62a_100000035001_200015260668 [0,1,0,0,0,0|2,1,0]=4 2199 B11R1.24 O=CCSc1ccnc(c1)Cl 62a_200015260668_100000035001 [0,1,0,0,0,0|2,1,0]=4 2200 B11R1.24 O=CCSc1ccnc(c1)F 62a_100009816116_200015260668 [0,1,0,0,0,0|2,1,0]=4 2201 B11R1.24 O=CCSc1ccnc(c1)F 62a_200015260668_100009816116 [0,1,0,0,0,0|2,1,0]=4 2202 B11R1.24 O=CCSc1cncc(c1)Br 62a_100000728054_200015260668 [0,1,0,0,0,0|2,1,0]=4 2203 B11R1.24 O=CCSc1cncc(c1)Br 62a_200015260668_100000728054 [0,1,0,0,0,0|2,1,0]=4 2204 B11R1.24 O=CCSc1cncc(c1)Cl 62a_100000049639_200015260668 [0,1,0,0,0,0|2,1,0]=4 2205 B11R1.24 O=CCSc1cncc(c1)Cl 62a_200015260668_100000049639 [0,1,0,0,0,0|2,1,0]=4 2206 B11R1.24 O=CCSc1cncc(c1)F 62a_100000744099_200015260668 [0,1,0,0,0,0|2,1,0]=4 2207 B11R1.24 O=CCSc1cncc(c1)F 62a_200015260668_100000744099 [0,1,0,0,0,0|2,1,0]=4 2208 B11R1.24 O=CCSc1cncc(c1)O 62a_100000754920_200015260668 [0,1,0,0,0,0|2,1,0]=4 2209 B11R1.24 O=CCSc1cncc(c1)O 62a_200015260668_100000754920 [0,1,0,0,0,0|2,1,0]=4 2210 B11R1.24 O=c1cc(cc[nH]1)OCCF 34a_100000032262_100011217306 [0,1,0,0,0,0|2,0,1]=4 2211 B11R1.24 O=c1cc(cc[nH]1)OCCO 34a_100000032262_100000211926 [0,1,0,0,0,0|2,0,1]=4 2212 B11R1.24 O=c1cccc([nH]1)OCCF 34a_100000033347_100011217306 [0,1,0,0,0,0|2,0,1]=4 2213 B11R1.24 O=c1cccc([nH]1)OCCO 34a_100000033347_100000211926 [0,1,0,0,0,0|2,0,1]=4 2214 B11R1.24 OCCCc1cccc(c1)O 271570a_203496583355_100011709248 [0,1,0,0,0,0|2,0,1]=4 2215 B11R1.24 OCCNc1cccc(c1)Br 34a_100000210019_100000211926 [0,1,0,0,0,0|2,0,1]=4 2216 B11R1.24 OCCNc1cccc(c1)Cl 34a_100000185859_100000211926 [0,1,0,0,0,0|2,0,1]=4 2217 B11R1.24 OCCNc1cccc(c1)F 34a_100000210047_100000211926 [0,1,0,0,0,0|2,0,1]=4 2218 B11R1.24 OCCNc1cccc(c1)I 34a_100000211102_100000211926 [0,1,0,0,0,0|2,0,1]=4 2219 B11R1.24 OCCNc1cccc(c1)O 34a_100000210217_100000211926 [0,1,0,0,0,0|2,0,1]=4 2220 B11R1.24 OCCOc1cccc(c1)Br 34a_100000210342_100000211926 [0,1,0,0,0,0|1,0,1]=3 2221 B11R1.24 OCCOc1cccc(c1)Br 7a_100000210342_100000211926 [0,1,0,0,0,0|1,0,1]=3 2222 B11R1.24 OCCOc1cccc(c1)Cl 34a_100000210295_100000211926 [0,1,0,0,0,0|1,0,1]=3 2223 B11R1.24 OCCOc1cccc(c1)Cl 7a_100000210295_100000211926 [0,1,0,0,0,0|1,0,1]=3 2224 B11R1.24 OCCOc1cccc(c1)F 34a_100000210426_100000211926 [0,1,0,0,0,0|1,0,1]=3 2225 B11R1.24 OCCOc1cccc(c1)F 7a_100000210426_100000211926 [0,1,0,0,0,0|1,0,1]=3 2226 B11R1.24 OCCOc1cccc(c1)I 34a_100000211634_100000211926 [0,1,0,0,0,0|1,0,1]=3 2227 B11R1.24 OCCOc1cccc(c1)I 7a_100000211634_100000211926 [0,1,0,0,0,0|1,0,1]=3 2228 B11R1.24 OCCOc1cccc(c1)O 271570a_203496583355_100000757546 [0,1,0,0,0,0|1,0,1]=3 2229 B11R1.24 OCCOc1cccc(n1)F 34a_100011432558_100000211926 [0,1,0,0,0,0|2,0,1]=4 2230 B11R1.24 OCCOc1ccnc(c1)Cl 34a_100000762945_100000211926 [0,1,0,0,0,0|2,0,1]=4 2231 B11R1.24 OCCOc1ccnc(c1)F 34a_100000732698_100000211926 [0,1,0,0,0,0|2,0,1]=4 2232 B11R1.24 OCCOc1cncc(c1)Br 34a_100000754920_100000211926 [0,1,0,0,0,0|2,0,1]=4 2233 B11R1.24 OCCOc1cncc(c1)Br 7a_100000754920_100000211926 [0,1,0,0,0,0|2,0,1]=4 2234 B11R1.24 OCCOc1cncc(c1)Cl 7a_100000032511_100000211926 [0,1,0,0,0,0|2,0,1]=4 2235 B11R1.24 OCCOc1cncc(c1)F 34a_100011830296_100000211926 [0,1,0,0,0,0|2,0,1]=4 2236 B11R1.24 OCCOc1cncc(c1)F 7a_100011830296_100000211926 [0,1,0,0,0,0|2,0,1]=4 2237 B11R1.24 OCCSc1cccc(c1)Br 62a_100000211926_100000691529 [0,1,0,0,0,0|1,1,1]=4 2238 B11R1.24 OCCSc1cccc(c1)Br 62a_100000691529_100000211926 [0,1,0,0,0,0|1,1,1]=4 2239 B11R1.24 OCCSc1cccc(c1)Cl 62a_100000211926_100000699651 [0,1,0,0,0,0|1,1,1]=4 2240 B11R1.24 OCCSc1cccc(c1)Cl 62a_100000699651_100000211926 [0,1,0,0,0,0|1,1,1]=4 2241 B11R1.24 OCCSc1cccc(c1)F 62a_100000211926_100000685547 [0,1,0,0,0,0|1,1,1]=4 2242 B11R1.24 OCCSc1cccc(c1)F 62a_100000685547_100000211926 [0,1,0,0,0,0|1,1,1]=4 2243 B11R1.24 OCCSc1cccc(c1)O 271570a_203496583355_200011756134 [0,1,0,0,0,0|1,1,1]=4 2244 B11R1.24 OCCSc1cccc(c1)O 62a_100000211926_100000211634 [0,1,0,0,0,0|1,1,1]=4 2245 B11R1.24 OCCSc1cccc(c1)[S] 62a_100000211926_114929384022 [0,1,0,0,0,0|1,1,1]=4 2246 B11R1.24 OCCSc1cccc(c1)[S] 62a_114929384022_100000211926 [0,1,0,0,0,0|1,1,1]=4 2247 B11R1.24 Oc1cccc(c1)NCCF 34a_100000210217_100011217306 [0,1,0,0,0,0|2,0,1]=4 2248 B11R1.24 Oc1cccc(c1)SCCF 62a_100011217306_100000211634 [0,1,0,0,0,0|1,1,1]=4 2249 B11R1.24 [13CH3]NCCc1cccc(c1)Br 2230a_100011207229_200025704644 [0,1,0,0,0,0|2,0,1]=4 2250 B11R1.24 [13CH3]NCCc1cccc(c1)Br 34a_100011207229_200025704644 [0,1,0,0,0,0|2,0,1]=4 2251 B11R1.24 [13CH3]NCCc1cccc(c1)Cl 2230a_100000185263_200025704644 [0,1,0,0,0,0|2,0,1]=4 2252 B11R1.24 [13CH3]NCCc1cccc(c1)Cl 34a_100000185263_200025704644 [0,1,0,0,0,0|2,0,1]=4 2253 B11R1.24 [13CH3]NCCc1cccc(c1)F 2230a_100000205154_200025704644 [0,1,0,0,0,0|2,0,1]=4 2254 B11R1.24 [13CH3]NCCc1cccc(c1)F 34a_100000205154_200025704644 [0,1,0,0,0,0|2,0,1]=4 2255 B11R1.24 [13CH3]NCCc1cccc(c1)O 2230a_100000747277_200025704644 [0,1,0,0,0,0|2,0,1]=4 2256 B11R1.24 [13CH3]NCCc1cccc(c1)O 34a_100000747277_200025704644 [0,1,0,0,0,0|2,0,1]=4 2257 B11R1.24 [13CH3]OCCc1cccc(c1)Br 34a_100011217444_200025704644 [0,1,0,0,0,0|2,0,1]=4 2258 B11R1.24 [13CH3]OCCc1cccc(c1)Br 7a_100011217444_200025704644 [0,1,0,0,0,0|2,0,1]=4 2259 B11R1.24 [13CH3]OCCc1cccc(c1)Cl 34a_100000754733_200025704644 [0,1,0,0,0,0|2,0,1]=4 2260 B11R1.24 [13CH3]OCCc1cccc(c1)Cl 7a_100000754733_200025704644 [0,1,0,0,0,0|2,0,1]=4 2261 B11R1.24 [13CH3]OCCc1cccc(c1)F 34a_100000763591_200025704644 [0,1,0,0,0,0|2,0,1]=4 2262 B11R1.24 [13CH3]OCCc1cccc(c1)F 7a_100000763591_200025704644 [0,1,0,0,0,0|2,0,1]=4 2263 B11R1.24 [13CH3]OCCc1cccc(c1)N 34a_100011996697_200025704644 [0,1,0,0,0,0|2,0,1]=4 2264 B11R1.24 [13CH3]SCCc1cccc(c1)Br 62a_100011740638_200025704644 [0,1,0,0,0,0|2,0,1]=4 2265 B11R1.24 [13CH3]SCCc1cccc(c1)Br 62a_200025704644_100011740638 [0,1,0,0,0,0|2,0,1]=4 2266 B11R1.24 [13CH3]SCCc1cccc(c1)Cl 62a_100011713710_200025704644 [0,1,0,0,0,0|2,0,1]=4 2267 B11R1.24 [13CH3]SCCc1cccc(c1)Cl 62a_200025704644_100011713710 [0,1,0,0,0,0|2,0,1]=4 2268 B11R1.24 [13CH3]SCCc1cccc(c1)F 62a_100011217235_200025704644 [0,1,0,0,0,0|2,0,1]=4 2269 B11R1.24 [13CH3]SCCc1cccc(c1)F 62a_200025704644_100011217235 [0,1,0,0,0,0|2,0,1]=4 2270 B11R1.24 [O-][n+]1cccc(c1)OCCF 34a_100000039713_100011217306 [0,1,0,0,0,0|2,0,1]=4 2271 B11R1.24 [O-][n+]1cccc(c1)OCCF 7a_100000039713_100011217306 [0,1,0,0,0,0|2,0,1]=4 2272 B11R1.24 [O-][n+]1cccc(c1)OCCO 34a_100000039713_100000211926 [0,1,0,0,0,0|2,0,1]=4 2273 B11R1.24 [O-][n+]1cccc(c1)OCCO 7a_100000039713_100000211926 [0,1,0,0,0,0|2,0,1]=4 2274 B11R1.28 BrCCOCc1ccccc1 34a_100000211926_100015291786 [0,1,0,0,0,0|1,0,1]=3 2275 B11R1.28 BrCCOCc1ccccn1 34a_100000211926_100000721315 [0,1,0,0,0,0|2,0,1]=4 2276 B11R1.28 BrCCOCc1cccnc1 34a_100000211926_100000733263 [0,1,0,0,0,0|2,0,1]=4 2277 B11R1.28 C#CCCNc1ccccc1 34a_100000106764_100000688953 [0,1,0,0,0,0|1,0,2]=4 2278 B11R1.28 C#CCCOc1ccccc1 34a_100000210340_100000688953 [0,1,0,0,0,0|0,0,2]=3 2279 B11R1.28 C#CCCOc1ccccc1 7a_100000210340_100000688953 [0,1,0,0,0,0|0,0,2]=3 2280 B11R1.28 C#CCCOc1cccnc1 34a_100000210849_100000688953 [0,1,0,0,0,0|1,0,2]=4 2281 B11R1.28 C#CCCOc1cccnc1 7a_100000210849_100000688953 [0,1,0,0,0,0|1,0,2]=4 2282 B11R1.28 C#CCCOc1ccncc1 34a_100000212176_100000688953 [0,1,0,0,0,0|1,0,2]=4 2283 B11R1.28 C#CCCSc1ccccc1 62a_100000688953_100000041952 [0,1,0,0,0,0|0,1,2]=4 2284 B11R1.28 C#CCCSc1ccccc1 62a_100000719477_100000688953 [0,1,0,0,0,0|0,1,2]=4 2285 B11R1.28 C#CCNCc1ccccc1 2230a_100015324214_100000038162 [0,1,0,0,0,0|1,0,2]=4 2286 B11R1.28 C#CCNCc1ccccc1 34a_100000212058_100015291786 [0,1,0,0,0,0|1,0,2]=4 2287 B11R1.28 C#CCNCc1ccccc1 34a_100015324214_100000184674 [0,1,0,0,0,0|1,0,2]=4 2288 B11R1.28 C#CCOCc1ccccc1 34a_100000210247_100015291786 [0,1,0,0,0,0|0,0,2]=3 2289 B11R1.28 C#CCOCc1ccccc1 34a_100000210790_100000184674 [0,1,0,0,0,0|0,0,2]=3 2290 B11R1.28 C#CCOCc1ccccc1 7a_100000210790_100000038162 [0,1,0,0,0,0|0,0,2]=3 2291 B11R1.28 C#CCOCc1ccccn1 34a_100000210247_100000721315 [0,1,0,0,0,0|1,0,2]=4 2292 B11R1.28 C#CCOCc1cccnc1 34a_100000210247_100000733263 [0,1,0,0,0,0|1,0,2]=4 2293 B11R1.28 C#CCSCc1ccccc1 62a_100000038162_100015291786 [0,1,0,0,0,0|0,1,2]=4 2294 B11R1.28 C/C=C/CNc1ccccc1 34a_100000106764_100102629194 [0,1,0,0,0,0|1,0,0]=2 2295 B11R1.28 C/C=C/COc1ccccc1 34a_100000210340_100102629194 [0,1,0,0,0,0|0,0,0]=1 2296 B11R1.28 C/C=C/COc1ccccc1 7a_100000210340_100102629194 [0,1,0,0,0,0|0,0,0]=1 2297 B11R1.28 C/C=C/COc1cccnc1 34a_100000210849_100102629194 [0,1,0,0,0,0|1,0,0]=2 2298 B11R1.28 C/C=C/COc1cccnc1 7a_100000210849_100102629194 [0,1,0,0,0,0|1,0,0]=2 2299 B11R1.28 C/C=C/COc1ccncc1 34a_100000212176_100102629194 [0,1,0,0,0,0|1,0,0]=2 2300 B11R1.28 C/C=C/COc1ccnnc1 34a_100015204005_100102629194 [0,1,0,0,0,0|2,0,0]=3 2301 B11R1.28 C/C=C/COc1cncnc1 7a_100000754086_100102629194 [0,1,0,0,0,0|2,0,0]=3 2302 B11R1.28 C/C=C/CSc1ccccc1 62a_100000719477_100102629194 [0,1,0,0,0,0|0,1,0]=2 2303 B11R1.28 C/C=C/CSc1ccccc1 62a_100102629194_100000041952 [0,1,0,0,0,0|0,1,0]=2 2304 B11R1.28 C/C=C/CSc1ccccn1 62a_100011216584_100102629194 [0,1,0,0,0,0|1,1,0]=3 2305 B11R1.28 C/C=C/CSc1ccccn1 62a_100102629194_100011216584 [0,1,0,0,0,0|1,1,0]=3 2306 B11R1.28 C/C=C/CSc1cccnc1 62a_100000210063_100102629194 [0,1,0,0,0,0|1,1,0]=3 2307 B11R1.28 C/C=C/CSc1cccnc1 62a_100102629194_100000210063 [0,1,0,0,0,0|1,1,0]=3 2308 B11R1.28 C/C=C/CSc1cccnn1 62a_100016991348_100102629194 [0,1,0,0,0,0|2,1,0]=4 2309 B11R1.28 C/C=C/CSc1cccnn1 62a_100102629194_100016991348 [0,1,0,0,0,0|2,1,0]=4 2310 B11R1.28 C/C=C/CSc1ccncc1 62a_100000728582_100102629194 [0,1,0,0,0,0|1,1,0]=3 2311 B11R1.28 C/C=C/CSc1ccncc1 62a_100102629194_100000728582 [0,1,0,0,0,0|1,1,0]=3 2312 B11R1.28 C/C=C/CSc1ccncn1 62a_100000703185_100102629194 [0,1,0,0,0,0|2,1,0]=4 2313 B11R1.28 C/C=C/CSc1ccncn1 62a_100102629194_100000703185 [0,1,0,0,0,0|2,1,0]=4 2314 B11R1.28 C/C=C/CSc1ccnnc1 62a_100000732662_100102629194 [0,1,0,0,0,0|2,1,0]=4 2315 B11R1.28 C/C=C/CSc1ccnnc1 62a_100102629194_100000732662 [0,1,0,0,0,0|2,1,0]=4 2316 B11R1.28 C/C=C/CSc1cnccn1 62a_100000211759_100102629194 [0,1,0,0,0,0|2,1,0]=4 2317 B11R1.28 C/C=C/CSc1cnccn1 62a_100102629194_100000211759 [0,1,0,0,0,0|2,1,0]=4 2318 B11R1.28 C/C=C/CSc1cncnc1 62a_100011206942_100102629194 [0,1,0,0,0,0|2,1,0]=4 2319 B11R1.28 C/C=C/CSc1cncnc1 62a_100102629194_100011206942 [0,1,0,0,0,0|2,1,0]=4 2320 B11R1.28 C/C=C/CSc1ncccn1 62a_100000211032_100102629194 [0,1,0,0,0,0|2,1,0]=4 2321 B11R1.28 C/C=C/CSc1ncccn1 62a_100102629194_100000211032 [0,1,0,0,0,0|2,1,0]=4 2322 B11R1.28 C=CCCNc1ccccc1 34a_100000106764_100000754431 [0,1,0,0,0,0|1,0,0]=2 2323 B11R1.28 C=CCCNc1cccnn1 27a_100015191253_100016991348 [0,1,0,0,0,0|3,0,0]=4 2324 B11R1.28 C=CCCNc1ccncn1 27a_100015191253_100000703185 [0,1,0,0,0,0|3,0,0]=4 2325 B11R1.28 C=CCCNc1cnccn1 27a_100015191253_100000211759 [0,1,0,0,0,0|3,0,0]=4 2326 B11R1.28 C=CCCNc1ncccn1 27a_100015191253_100000211032 [0,1,0,0,0,0|3,0,0]=4 2327 B11R1.28 C=CCCOc1ccccc1 34a_100000210340_100000754431 [0,1,0,0,0,0|0,0,0]=1 2328 B11R1.28 C=CCCOc1ccccc1 7a_100000210340_100000754431 [0,1,0,0,0,0|0,0,0]=1 2329 B11R1.28 C=CCCOc1cccnc1 34a_100000210849_100000754431 [0,1,0,0,0,0|1,0,0]=2 2330 B11R1.28 C=CCCOc1cccnc1 7a_100000210849_100000754431 [0,1,0,0,0,0|1,0,0]=2 2331 B11R1.28 C=CCCOc1ccncc1 34a_100000212176_100000754431 [0,1,0,0,0,0|1,0,0]=2 2332 B11R1.28 C=CCCOc1ccnnc1 34a_100015204005_100000754431 [0,1,0,0,0,0|2,0,0]=3 2333 B11R1.28 C=CCCOc1cncnc1 7a_100000754086_100000754431 [0,1,0,0,0,0|2,0,0]=3 2334 B11R1.28 C=CCCSc1ccccc1 62a_100000719477_100000754431 [0,1,0,0,0,0|0,1,0]=2 2335 B11R1.28 C=CCCSc1ccccc1 62a_100000754431_100000041952 [0,1,0,0,0,0|0,1,0]=2 2336 B11R1.28 C=CCCSc1ccccn1 62a_100000754431_100011216584 [0,1,0,0,0,0|1,1,0]=3 2337 B11R1.28 C=CCCSc1ccccn1 62a_100011216584_100000754431 [0,1,0,0,0,0|1,1,0]=3 2338 B11R1.28 C=CCCSc1cccnc1 62a_100000210063_100000754431 [0,1,0,0,0,0|1,1,0]=3 2339 B11R1.28 C=CCCSc1cccnc1 62a_100000754431_100000210063 [0,1,0,0,0,0|1,1,0]=3 2340 B11R1.28 C=CCCSc1cccnn1 62a_100000754431_100016991348 [0,1,0,0,0,0|2,1,0]=4 2341 B11R1.28 C=CCCSc1cccnn1 62a_100016991348_100000754431 [0,1,0,0,0,0|2,1,0]=4 2342 B11R1.28 C=CCCSc1ccncc1 62a_100000728582_100000754431 [0,1,0,0,0,0|1,1,0]=3 2343 B11R1.28 C=CCCSc1ccncc1 62a_100000754431_100000728582 [0,1,0,0,0,0|1,1,0]=3 2344 B11R1.28 C=CCCSc1ccncn1 62a_100000703185_100000754431 [0,1,0,0,0,0|2,1,0]=4 2345 B11R1.28 C=CCCSc1ccncn1 62a_100000754431_100000703185 [0,1,0,0,0,0|2,1,0]=4 2346 B11R1.28 C=CCCSc1ccnnc1 62a_100000732662_100000754431 [0,1,0,0,0,0|2,1,0]=4 2347 B11R1.28 C=CCCSc1ccnnc1 62a_100000754431_100000732662 [0,1,0,0,0,0|2,1,0]=4 2348 B11R1.28 C=CCCSc1cnccn1 62a_100000211759_100000754431 [0,1,0,0,0,0|2,1,0]=4 2349 B11R1.28 C=CCCSc1cnccn1 62a_100000754431_100000211759 [0,1,0,0,0,0|2,1,0]=4 2350 B11R1.28 C=CCCSc1cncnc1 62a_100000754431_100011206942 [0,1,0,0,0,0|2,1,0]=4 2351 B11R1.28 C=CCCSc1cncnc1 62a_100011206942_100000754431 [0,1,0,0,0,0|2,1,0]=4 2352 B11R1.28 C=CCCSc1ncccn1 62a_100000211032_100000754431 [0,1,0,0,0,0|2,1,0]=4 2353 B11R1.28 C=CCCSc1ncccn1 62a_100000754431_100000211032 [0,1,0,0,0,0|2,1,0]=4 2354 B11R1.28 C=CCNCc1ccccc1 2230a_100015324214_100000210623 [0,1,0,0,0,0|1,0,0]=2 2355 B11R1.28 C=CCNCc1ccccc1 2230a_100020586998_100015291786 [0,1,0,0,0,0|1,0,0]=2 2356 B11R1.28 C=CCNCc1ccccc1 270004a_100020586998_100015611070 [0,1,0,0,0,0|1,0,0]=2 2357 B11R1.28 C=CCNCc1ccccc1 34a_100015324214_100015514636 [0,1,0,0,0,0|1,0,0]=2 2358 B11R1.28 C=CCNCc1ccccn1 2230a_100020586998_100000721315 [0,1,0,0,0,0|2,0,0]=3 2359 B11R1.28 C=CCNCc1ccccn1 270004a_100020586998_100000209966 [0,1,0,0,0,0|2,0,0]=3 2360 B11R1.28 C=CCNCc1cccnc1 2230a_100020586998_100000741622 [0,1,0,0,0,0|2,0,0]=3 2361 B11R1.28 C=CCNCc1cccnc1 270004a_100020586998_100000209961 [0,1,0,0,0,0|2,0,0]=3 2362 B11R1.28 C=CCNCc1cccnn1 2230a_100020586998_100016990269 [0,1,0,0,0,0|3,0,0]=4 2363 B11R1.28 C=CCNCc1cccnn1 2230a_100159270163_100000210623 [0,1,0,0,0,0|3,0,0]=4 2364 B11R1.28 C=CCNCc1ccncc1 2230a_100020586998_100015193705 [0,1,0,0,0,0|2,0,0]=3 2365 B11R1.28 C=CCNCc1ccnnc1 270004a_100020586998_100011934578 [0,1,0,0,0,0|3,0,0]=4 2366 B11R1.28 C=CCNCc1cnccn1 2230a_100020586998_100016995436 [0,1,0,0,0,0|3,0,0]=4 2367 B11R1.28 C=CCNCc1cnccn1 270004a_100020586998_100000749867 [0,1,0,0,0,0|3,0,0]=4 2368 B11R1.28 C=CCNCc1cncnc1 2230a_100011243677_100000210623 [0,1,0,0,0,0|3,0,0]=4 2369 B11R1.28 C=CCNCc1cncnc1 2230a_100020586998_100015196519 [0,1,0,0,0,0|3,0,0]=4 2370 B11R1.28 C=CCNCc1cncnc1 270004a_100020586998_100000749868 [0,1,0,0,0,0|3,0,0]=4 2371 B11R1.28 C=CCNCc1ncccn1 2230a_100020586998_100000703007 [0,1,0,0,0,0|3,0,0]=4 2372 B11R1.28 C=CCNCc1ncccn1 270004a_100020586998_100011532527 [0,1,0,0,0,0|3,0,0]=4 2373 B11R1.28 C=CCOCc1ccccc1 34a_100000210790_100015514636 [0,1,0,0,0,0|0,0,0]=1 2374 B11R1.28 C=CCOCc1ccccc1 34a_200000210373_100015291786 [0,1,0,0,0,0|0,0,0]=1 2375 B11R1.28 C=CCOCc1ccccc1 7a_100000210790_100015514636 [0,1,0,0,0,0|0,0,0]=1 2376 B11R1.28 C=CCOCc1ccccn1 34a_200000210373_100000721315 [0,1,0,0,0,0|1,0,0]=2 2377 B11R1.28 C=CCOCc1cccnc1 34a_200000210373_100000733263 [0,1,0,0,0,0|1,0,0]=2 2378 B11R1.28 C=CCOCc1cccnn1 34a_200000210373_100016990269 [0,1,0,0,0,0|2,0,0]=3 2379 B11R1.28 C=CCOCc1cnccn1 34a_200000210373_100016995436 [0,1,0,0,0,0|2,0,0]=3 2380 B11R1.28 C=CCOCc1cncnc1 34a_200000210373_100015196519 [0,1,0,0,0,0|2,0,0]=3 2381 B11R1.28 C=CCOCc1ncccn1 34a_200000210373_100000703007 [0,1,0,0,0,0|2,0,0]=3 2382 B11R1.28 C=CCSCc1ccccc1 62a_100000210623_100015291786 [0,1,0,0,0,0|0,1,0]=2 2383 B11R1.28 C=CCSCc1ccccc1 62a_100000211182_100000210623 [0,1,0,0,0,0|0,1,0]=2 2384 B11R1.28 C=CCSCc1ccccn1 62a_100000210623_100000721315 [0,1,0,0,0,0|1,1,0]=3 2385 B11R1.28 C=CCSCc1ccccn1 62a_100000721315_100000210623 [0,1,0,0,0,0|1,1,0]=3 2386 B11R1.28 C=CCSCc1cccnc1 62a_100000210623_100000741622 [0,1,0,0,0,0|1,1,0]=3 2387 B11R1.28 C=CCSCc1cccnc1 62a_100000741622_100000210623 [0,1,0,0,0,0|1,1,0]=3 2388 B11R1.28 C=CCSCc1cccnn1 62a_100000210623_100016990269 [0,1,0,0,0,0|2,1,0]=4 2389 B11R1.28 C=CCSCc1cccnn1 62a_100016990269_100000210623 [0,1,0,0,0,0|2,1,0]=4 2390 B11R1.28 C=CCSCc1ccncc1 62a_100000210623_100015193705 [0,1,0,0,0,0|1,1,0]=3 2391 B11R1.28 C=CCSCc1ccncc1 62a_100015193705_100000210623 [0,1,0,0,0,0|1,1,0]=3 2392 B11R1.28 C=CCSCc1cnccn1 62a_100000210623_100016995436 [0,1,0,0,0,0|2,1,0]=4 2393 B11R1.28 C=CCSCc1cnccn1 62a_100016995436_100000210623 [0,1,0,0,0,0|2,1,0]=4 2394 B11R1.28 C=CCSCc1cncnc1 62a_100000210623_100015196519 [0,1,0,0,0,0|2,1,0]=4 2395 B11R1.28 C=CCSCc1cncnc1 62a_100015196519_100000210623 [0,1,0,0,0,0|2,1,0]=4 2396 B11R1.28 C=CCSCc1ncccn1 62a_100000210623_100000703007 [0,1,0,0,0,0|2,1,0]=4 2397 B11R1.28 C=CCSCc1ncccn1 62a_100000703007_100000210623 [0,1,0,0,0,0|2,1,0]=4 2398 B11R1.28 CC#CCNc1ccccc1 34a_100000106764_100000748600 [0,1,0,0,0,0|1,0,2]=4 2399 B11R1.28 CC#CCOc1ccccc1 34a_100000210340_100000748600 [0,1,0,0,0,0|0,0,2]=3 2400 B11R1.28 CC#CCOc1ccccc1 7a_100000210340_100000748600 [0,1,0,0,0,0|0,0,2]=3 2401 B11R1.28 CC#CCOc1cccnc1 34a_100000210849_100000748600 [0,1,0,0,0,0|1,0,2]=4 2402 B11R1.28 CC#CCOc1cccnc1 7a_100000210849_100000748600 [0,1,0,0,0,0|1,0,2]=4 2403 B11R1.28 CC#CCOc1ccncc1 34a_100000212176_100000748600 [0,1,0,0,0,0|1,0,2]=4 2404 B11R1.28 CC#CCSc1ccccc1 62a_100000719477_100000748600 [0,1,0,0,0,0|0,1,2]=4 2405 B11R1.28 CC#CCSc1ccccc1 62a_100000748600_100000041952 [0,1,0,0,0,0|0,1,2]=4 2406 B11R1.28 CC=CCNc1ccccc1 34a_100000106764_100000070051 [0,1,0,0,0,0|1,0,0]=2 2407 B11R1.28 CC=CCOc1ccccc1 34a_100000210340_100000070051 [0,1,0,0,0,0|0,0,0]=1 2408 B11R1.28 CC=CCOc1ccccc1 7a_100000210340_100000070051 [0,1,0,0,0,0|0,0,0]=1 2409 B11R1.28 CC=CCOc1cccnc1 34a_100000210849_100000070051 [0,1,0,0,0,0|1,0,0]=2 2410 B11R1.28 CC=CCOc1cccnc1 7a_100000210849_100000070051 [0,1,0,0,0,0|1,0,0]=2 2411 B11R1.28 CC=CCOc1ccncc1 34a_100000212176_100000070051 [0,1,0,0,0,0|1,0,0]=2 2412 B11R1.28 CC=CCOc1ccnnc1 34a_100015204005_100000070051 [0,1,0,0,0,0|2,0,0]=3 2413 B11R1.28 CC=CCOc1cncnc1 7a_100000754086_100000070051 [0,1,0,0,0,0|2,0,0]=3 2414 B11R1.28 CC=CCSc1ccccc1 62a_100000070051_100000041952 [0,1,0,0,0,0|0,1,0]=2 2415 B11R1.28 CC=CCSc1ccccc1 62a_100000719477_100000070051 [0,1,0,0,0,0|0,1,0]=2 2416 B11R1.28 CC=CCSc1ccccn1 62a_100000070051_100011216584 [0,1,0,0,0,0|1,1,0]=3 2417 B11R1.28 CC=CCSc1ccccn1 62a_100011216584_100000070051 [0,1,0,0,0,0|1,1,0]=3 2418 B11R1.28 CC=CCSc1cccnc1 62a_100000070051_100000210063 [0,1,0,0,0,0|1,1,0]=3 2419 B11R1.28 CC=CCSc1cccnc1 62a_100000210063_100000070051 [0,1,0,0,0,0|1,1,0]=3 2420 B11R1.28 CC=CCSc1cccnn1 62a_100000070051_100016991348 [0,1,0,0,0,0|2,1,0]=4 2421 B11R1.28 CC=CCSc1cccnn1 62a_100016991348_100000070051 [0,1,0,0,0,0|2,1,0]=4 2422 B11R1.28 CC=CCSc1ccncc1 62a_100000070051_100000728582 [0,1,0,0,0,0|1,1,0]=3 2423 B11R1.28 CC=CCSc1ccncc1 62a_100000728582_100000070051 [0,1,0,0,0,0|1,1,0]=3 2424 B11R1.28 CC=CCSc1ccncn1 62a_100000070051_100000703185 [0,1,0,0,0,0|2,1,0]=4 2425 B11R1.28 CC=CCSc1ccncn1 62a_100000703185_100000070051 [0,1,0,0,0,0|2,1,0]=4 2426 B11R1.28 CC=CCSc1ccnnc1 62a_100000070051_100000732662 [0,1,0,0,0,0|2,1,0]=4 2427 B11R1.28 CC=CCSc1ccnnc1 62a_100000732662_100000070051 [0,1,0,0,0,0|2,1,0]=4 2428 B11R1.28 CC=CCSc1cnccn1 62a_100000070051_100000211759 [0,1,0,0,0,0|2,1,0]=4 2429 B11R1.28 CC=CCSc1cnccn1 62a_100000211759_100000070051 [0,1,0,0,0,0|2,1,0]=4 2430 B11R1.28 CC=CCSc1cncnc1 62a_100000070051_100011206942 [0,1,0,0,0,0|2,1,0]=4 2431 B11R1.28 CC=CCSc1cncnc1 62a_100011206942_100000070051 [0,1,0,0,0,0|2,1,0]=4 2432 B11R1.28 CC=CCSc1ncccn1 62a_100000070051_100000211032 [0,1,0,0,0,0|2,1,0]=4 2433 B11R1.28 CC=CCSc1ncccn1 62a_100000211032_100000070051 [0,1,0,0,0,0|2,1,0]=4 2434 B11R1.28 CC=NNCc1ccccc1 4a_100000007032_200000210099 [0,1,0,0,0,0|2,0,1]=4 2435 B11R1.28 CCC=NNc1ccccc1 4a_100015195140_100000210100 [0,1,0,0,0,0|2,0,1]=4 2436 B11R1.28 CCCC=Cc1ccccc1 271570a_100016258520_100000210277 [0,1,0,0,0,0|1,0,2]=4 2437 B11R1.28 CCCCNc1ccccc1 34a_100000106764_100000210210 [0,1,0,0,0,0|1,0,2]=4 2438 B11R1.28 CCCCOc1ccccc1 34a_100000210340_100000210210 [0,1,0,0,0,0|0,0,2]=3 2439 B11R1.28 CCCCOc1ccccc1 7a_100000210340_100000210211 [0,1,0,0,0,0|0,0,2]=3 2440 B11R1.28 CCCCOc1cccnc1 34a_100000210849_100000210210 [0,1,0,0,0,0|1,0,2]=4 2441 B11R1.28 CCCCOc1cccnc1 7a_100000210849_100000210211 [0,1,0,0,0,0|1,0,2]=4 2442 B11R1.28 CCCCOc1ccncc1 34a_100000212176_100000210210 [0,1,0,0,0,0|1,0,2]=4 2443 B11R1.28 CCCCSc1ccccc1 62a_100000210211_100000041952 [0,1,0,0,0,0|0,1,2]=4 2444 B11R1.28 CCCCSc1ccccc1 62a_100000719477_100000210210 [0,1,0,0,0,0|0,1,2]=4 2445 B11R1.28 CCCNCc1ccccc1 207a_100020643023_100015611070 [0,1,0,0,0,0|1,0,2]=4 2446 B11R1.28 CCCNCc1ccccc1 2230a_100015324214_100000210303 [0,1,0,0,0,0|1,0,2]=4 2447 B11R1.28 CCCNCc1ccccc1 270004a_100020643023_100015611070 [0,1,0,0,0,0|1,0,2]=4 2448 B11R1.28 CCCNCc1ccccc1 34a_100015324214_100000210303 [0,1,0,0,0,0|1,0,2]=4 2449 B11R1.28 CCCOCc1ccccc1 34a_100000210258_100015291786 [0,1,0,0,0,0|0,0,2]=3 2450 B11R1.28 CCCOCc1ccccc1 34a_100000210790_100000210303 [0,1,0,0,0,0|0,0,2]=3 2451 B11R1.28 CCCOCc1ccccc1 7a_100000210790_100000210303 [0,1,0,0,0,0|0,0,2]=3 2452 B11R1.28 CCCOCc1ccccn1 34a_100000210258_100000721315 [0,1,0,0,0,0|1,0,2]=4 2453 B11R1.28 CCCOCc1cccnc1 34a_100000210258_100000733263 [0,1,0,0,0,0|1,0,2]=4 2454 B11R1.28 CCCSCc1ccccc1 62a_100000210303_100015291786 [0,1,0,0,0,0|0,1,2]=4 2455 B11R1.28 CCCSCc1ccccc1 62a_100000211182_100000210303 [0,1,0,0,0,0|0,1,2]=4 2456 B11R1.28 CCNCCc1ccccc1 2230a_100000106460_100000210202 [0,1,0,0,0,0|1,0,2]=4 2457 B11R1.28 CCNCCc1ccccc1 2230a_100015525214_100000765856 [0,1,0,0,0,0|1,0,2]=4 2458 B11R1.28 CCNCCc1ccccc1 34a_100000106460_100000210202 [0,1,0,0,0,0|1,0,2]=4 2459 B11R1.28 CCNCSc1ccccc1 2230a_100015525214_100011218342 [0,1,0,0,0,0|0,1,2]=4 2460 B11R1.28 CCOCCc1ccccc1 34a_100000210268_100000210202 [0,1,0,0,0,0|1,0,2]=4 2461 B11R1.28 CCOCCc1ccccc1 34a_100121572206_100000765856 [0,1,0,0,0,0|1,0,2]=4 2462 B11R1.28 CCOCCc1ccccc1 7a_100000210268_100000210202 [0,1,0,0,0,0|1,0,2]=4 2463 B11R1.28 CCOCSc1ccccc1 62a_100000719477_100000739092 [0,1,0,0,0,0|0,1,2]=4 2464 B11R1.28 CCOCSc1ccccc1 62a_100000739092_100000041952 [0,1,0,0,0,0|0,1,2]=4 2465 B11R1.28 CCSCCc1ccccc1 62a_100000210202_100011218657 [0,1,0,0,0,0|1,0,2]=4 2466 B11R1.28 CCSCCc1ccccc1 62a_100000765856_100000210202 [0,1,0,0,0,0|1,0,2]=4 2467 B11R1.28 CCSCSc1ccccc1 62a_100000210202_100011218342 [0,1,0,0,0,0|0,1,2]=4 2468 B11R1.28 CCSCSc1ccccc1 62a_100011218342_100000210202 [0,1,0,0,0,0|0,1,2]=4 2469 B11R1.28 CNC/C=C/c1ccccc1 2230a_100020603302_200000210301 [0,1,0,0,0,0|2,0,1]=4 2470 B11R1.28 CNC/C=C/c1ccccc1 2230a_106832991635_100016265936 [0,1,0,0,0,0|2,0,1]=4 2471 B11R1.28 CNC/C=C/c1ccccc1 34a_100020603302_200000210301 [0,1,0,0,0,0|2,0,1]=4 2472 B11R1.28 CNC/C=C/c1ccccc1 34a_100102657272_100016265936 [0,1,0,0,0,0|2,0,1]=4 2473 B11R1.28 CNC/C=C/c1ccccc1 7a_106832991635_100016265936 [0,1,0,0,0,0|2,0,1]=4 2474 B11R1.28 CNCC#Cc1ccccc1 2230a_106832991635_100011352542 [0,1,0,0,0,0|2,0,1]=4 2475 B11R1.28 CNCC#Cc1ccccc1 34a_100000735379_200000210301 [0,1,0,0,0,0|2,0,1]=4 2476 B11R1.28 CNCC#Cc1ccccc1 34a_100102657272_100011352542 [0,1,0,0,0,0|2,0,1]=4 2477 B11R1.28 CNCC#Cc1ccccc1 7a_106832991635_100011352542 [0,1,0,0,0,0|2,0,1]=4 2478 B11R1.28 CNCC=Cc1ccccc1 270004a_106832991635_100000210105 [0,1,0,0,0,0|2,0,1]=4 2479 B11R1.28 CNCCCc1ccccc1 2230a_100000211184_200000210301 [0,1,0,0,0,0|1,0,2]=4 2480 B11R1.28 CNCCCc1ccccc1 2230a_106832991635_100000211621 [0,1,0,0,0,0|1,0,2]=4 2481 B11R1.28 CNCCCc1ccccc1 34a_100000211184_200000210301 [0,1,0,0,0,0|1,0,2]=4 2482 B11R1.28 CNCCCc1ccccc1 34a_100102657272_100000211621 [0,1,0,0,0,0|1,0,2]=4 2483 B11R1.28 CNCCCc1ccccc1 7a_106832991635_100000211621 [0,1,0,0,0,0|1,0,2]=4 2484 B11R1.28 CNCCOc1ccccc1 2230a_100000174943_200000210301 [0,1,0,0,0,0|0,0,2]=3 2485 B11R1.28 CNCCOc1ccccc1 2230a_106832991635_100000184471 [0,1,0,0,0,0|0,0,2]=3 2486 B11R1.28 CNCCOc1ccccc1 270004a_106832991635_100000758736 [0,1,0,0,0,0|0,0,2]=3 2487 B11R1.28 CNCCOc1ccccc1 34a_100000174943_200000210301 [0,1,0,0,0,0|0,0,2]=3 2488 B11R1.28 CNCCOc1ccccc1 34a_100102657272_100000184471 [0,1,0,0,0,0|0,0,2]=3 2489 B11R1.28 CNCCOc1ccccc1 7a_106832991635_100000184471 [0,1,0,0,0,0|0,0,2]=3 2490 B11R1.28 CNCCOc1ccccn1 2230a_106741647558_200000210301 [0,1,0,0,0,0|1,0,2]=4 2491 B11R1.28 CNCCOc1cccnc1 2230a_100000754688_200000210301 [0,1,0,0,0,0|1,0,2]=4 2492 B11R1.28 CNCCSc1ccccc1 2230a_100000189519_200000210301 [0,1,0,0,0,0|0,1,2]=4 2493 B11R1.28 CNCCSc1ccccc1 2230a_106832991635_100000246102 [0,1,0,0,0,0|0,1,2]=4 2494 B11R1.28 CNCCSc1ccccc1 34a_100102657272_100000246102 [0,1,0,0,0,0|0,1,2]=4 2495 B11R1.28 CNCCSc1ccccc1 7a_106832991635_100000246102 [0,1,0,0,0,0|0,1,2]=4 2496 B11R1.28 CNCOCc1ccccc1 2230a_106832991635_100000763385 [0,1,0,0,0,0|1,0,1]=3 2497 B11R1.28 CNCOCc1ccccc1 34a_100102657272_100000763385 [0,1,0,0,0,0|1,0,1]=3 2498 B11R1.28 CNCSCc1ccccc1 2230a_106832991635_200011217039 [0,1,0,0,0,0|1,1,1]=4 2499 B11R1.28 CNCSCc1ccccc1 34a_100102657272_200011217039 [0,1,0,0,0,0|1,1,1]=4 2500 B11R1.28 COC/C=C/c1ccccc1 34a_100000210256_200000210301 [0,1,0,0,0,0|2,0,1]=4 2501 B11R1.28 COC/C=C/c1ccccc1 34a_100138415774_100016265936 [0,1,0,0,0,0|2,0,1]=4 2502 B11R1.28 COCC#Cc1ccccc1 34a_100011217464_200000210301 [0,1,0,0,0,0|2,0,1]=4 2503 B11R1.28 COCC#Cc1ccccc1 34a_100138415774_100011352542 [0,1,0,0,0,0|2,0,1]=4 2504 B11R1.28 COCC#Cc1ccccc1 7a_100011217464_200000210301 [0,1,0,0,0,0|2,0,1]=4 2505 B11R1.28 COCC=Cc1ccccc1 271570a_100016286323_100000210277 [0,1,0,0,0,0|2,0,1]=4 2506 B11R1.28 COCCCc1ccccc1 34a_100000210828_200000210301 [0,1,0,0,0,0|1,0,2]=4 2507 B11R1.28 COCCCc1ccccc1 34a_100138415774_100000211621 [0,1,0,0,0,0|1,0,2]=4 2508 B11R1.28 COCCCc1ccccc1 7a_100000210828_200000210301 [0,1,0,0,0,0|1,0,2]=4 2509 B11R1.28 COCCNc1ccccc1 34a_100000106764_100011201679 [0,1,0,0,0,0|1,0,2]=4 2510 B11R1.28 COCCNc1ccccc1 34a_100000211345_200000210301 [0,1,0,0,0,0|1,0,2]=4 2511 B11R1.28 COCCOc1ccccc1 34a_100000210260_200000210301 [0,1,0,0,0,0|0,0,2]=3 2512 B11R1.28 COCCOc1ccccc1 34a_100000210340_100011201679 [0,1,0,0,0,0|0,0,2]=3 2513 B11R1.28 COCCOc1ccccc1 34a_100138415774_100000184471 [0,1,0,0,0,0|0,0,2]=3 2514 B11R1.28 COCCOc1ccccc1 7a_100000210260_200000210301 [0,1,0,0,0,0|0,0,2]=3 2515 B11R1.28 COCCOc1ccccc1 7a_100000210340_100000233755 [0,1,0,0,0,0|0,0,2]=3 2516 B11R1.28 COCCOc1cccnc1 34a_100000210849_100011201679 [0,1,0,0,0,0|1,0,2]=4 2517 B11R1.28 COCCOc1cccnc1 7a_100000210849_100000233755 [0,1,0,0,0,0|1,0,2]=4 2518 B11R1.28 COCCOc1ccncc1 34a_100000212176_100011201679 [0,1,0,0,0,0|1,0,2]=4 2519 B11R1.28 COCCSc1ccccc1 34a_100138415774_100000246102 [0,1,0,0,0,0|0,1,2]=4 2520 B11R1.28 COCCSc1ccccc1 62a_100000233755_100000041952 [0,1,0,0,0,0|0,1,2]=4 2521 B11R1.28 COCCSc1ccccc1 62a_100000719477_100000233755 [0,1,0,0,0,0|0,1,2]=4 2522 B11R1.28 COCCSc1ccccc1 7a_100000230494_200000210301 [0,1,0,0,0,0|0,1,2]=4 2523 B11R1.28 COCNCc1ccccc1 2230a_100015324214_100000766300 [0,1,0,0,0,0|2,0,1]=4 2524 B11R1.28 COCOCc1ccccc1 34a_100138415774_100000763385 [0,1,0,0,0,0|1,0,1]=3 2525 B11R1.28 COCSCc1ccccc1 34a_100138415774_200011217039 [0,1,0,0,0,0|1,1,1]=4 2526 B11R1.28 COCSCc1ccccc1 62a_100000211182_100000766300 [0,1,0,0,0,0|1,1,1]=4 2527 B11R1.28 COCSCc1ccccc1 62a_100000766300_100015291786 [0,1,0,0,0,0|1,1,1]=4 2528 B11R1.28 CSC/C=C/c1ccccc1 62a_100016265936_200000210301 [0,1,0,0,0,0|2,0,1]=4 2529 B11R1.28 CSC/C=C/c1ccccc1 62a_200000210301_100016265936 [0,1,0,0,0,0|2,0,1]=4 2530 B11R1.28 CSCC#Cc1ccccc1 62a_200000210301_100011352542 [0,1,0,0,0,0|2,0,1]=4 2531 B11R1.28 CSCCCc1ccccc1 62a_100000211621_200000210301 [0,1,0,0,0,0|1,0,2]=4 2532 B11R1.28 CSCCCc1ccccc1 62a_200000210301_100000211621 [0,1,0,0,0,0|1,0,2]=4 2533 B11R1.28 CSCCNc1ccccc1 34a_100000106764_100000212216 [0,1,0,0,0,0|1,0,2]=4 2534 B11R1.28 CSCCOc1ccccc1 34a_100000210340_100000212216 [0,1,0,0,0,0|0,0,2]=3 2535 B11R1.28 CSCCOc1ccccc1 62a_100000184471_200000210301 [0,1,0,0,0,0|0,0,2]=3 2536 B11R1.28 CSCCOc1ccccc1 62a_200000210301_100000184471 [0,1,0,0,0,0|0,0,2]=3 2537 B11R1.28 CSCCOc1ccccc1 7a_100000210340_100000212216 [0,1,0,0,0,0|0,0,2]=3 2538 B11R1.28 CSCCOc1cccnc1 34a_100000210849_100000212216 [0,1,0,0,0,0|1,0,2]=4 2539 B11R1.28 CSCCOc1cccnc1 7a_100000210849_100000212216 [0,1,0,0,0,0|1,0,2]=4 2540 B11R1.28 CSCCOc1ccncc1 34a_100000212176_100000212216 [0,1,0,0,0,0|1,0,2]=4 2541 B11R1.28 CSCCSc1ccccc1 62a_100000212216_100000041952 [0,1,0,0,0,0|0,1,2]=4 2542 B11R1.28 CSCCSc1ccccc1 62a_100000246102_200000210301 [0,1,0,0,0,0|0,1,2]=4 2543 B11R1.28 CSCCSc1ccccc1 62a_100000719477_100000751147 [0,1,0,0,0,0|0,1,2]=4 2544 B11R1.28 CSCCSc1ccccc1 62a_200000210301_100000246102 [0,1,0,0,0,0|0,1,2]=4 2545 B11R1.28 CSCNCc1ccccc1 2230a_100015324214_100011218213 [0,1,0,0,0,0|2,0,1]=4 2546 B11R1.28 CSCNCc1ccccc1 34a_100015324214_100011218213 [0,1,0,0,0,0|2,0,1]=4 2547 B11R1.28 CSCOCc1ccccc1 34a_100000210790_100011218213 [0,1,0,0,0,0|1,0,1]=3 2548 B11R1.28 CSCOCc1ccccc1 62a_100000763385_200000210301 [0,1,0,0,0,0|1,0,1]=3 2549 B11R1.28 CSCOCc1ccccc1 62a_200000210301_100000763385 [0,1,0,0,0,0|1,0,1]=3 2550 B11R1.28 CSCSCc1ccccc1 62a_100000211182_100011218213 [0,1,0,0,0,0|1,1,1]=4 2551 B11R1.28 CSCSCc1ccccc1 62a_100011218213_100015291786 [0,1,0,0,0,0|1,1,1]=4 2552 B11R1.28 CSCSCc1ccccc1 62a_200000210301_200011217039 [0,1,0,0,0,0|1,1,1]=4 2553 B11R1.28 CSCSCc1ccccc1 62a_200011217039_200000210301 [0,1,0,0,0,0|1,1,1]=4 2554 B11R1.28 FCCCNc1ccccc1 34a_100000106764_100011934791 [0,1,0,0,0,0|1,0,2]=4 2555 B11R1.28 FCCCOc1ccccc1 34a_100000210340_100011934791 [0,1,0,0,0,0|0,0,2]=3 2556 B11R1.28 FCCCOc1ccccc1 7a_100000210340_100011934791 [0,1,0,0,0,0|0,0,2]=3 2557 B11R1.28 FCCCOc1cccnc1 34a_100000210849_100011934791 [0,1,0,0,0,0|1,0,2]=4 2558 B11R1.28 FCCCOc1cccnc1 7a_100000210849_100011934791 [0,1,0,0,0,0|1,0,2]=4 2559 B11R1.28 FCCCOc1ccncc1 34a_100000212176_100011934791 [0,1,0,0,0,0|1,0,2]=4 2560 B11R1.28 FCCCSc1ccccc1 62a_100000719477_100011934791 [0,1,0,0,0,0|0,1,2]=4 2561 B11R1.28 FCCCSc1ccccc1 62a_100011934791_100000041952 [0,1,0,0,0,0|0,1,2]=4 2562 B11R1.28 FCCNCc1ccccc1 2230a_100015324214_100011217306 [0,1,0,0,0,0|2,0,1]=4 2563 B11R1.28 FCCNCc1ccccc1 34a_100000724931_100015291786 [0,1,0,0,0,0|2,0,1]=4 2564 B11R1.28 FCCNCc1ccccc1 34a_100015324214_100011217306 [0,1,0,0,0,0|2,0,1]=4 2565 B11R1.28 FCCOCc1ccccc1 34a_100000210790_100011217306 [0,1,0,0,0,0|1,0,1]=3 2566 B11R1.28 FCCOCc1ccccc1 7a_100000210790_100011217306 [0,1,0,0,0,0|1,0,1]=3 2567 B11R1.28 FCCSCc1ccccc1 62a_100000211182_100011217306 [0,1,0,0,0,0|1,1,1]=4 2568 B11R1.28 FCCSCc1ccccc1 62a_100011217306_100015291786 [0,1,0,0,0,0|1,1,1]=4 2569 B11R1.28 FCNCCc1ccccc1 34a_100000106460_100015361967 [0,1,0,0,0,0|2,0,1]=4 2570 B11R1.28 FCOCCc1ccccc1 34a_100000210268_100015361967 [0,1,0,0,0,0|2,0,1]=4 2571 B11R1.28 FCOCCc1ccccc1 7a_100000210268_100015361967 [0,1,0,0,0,0|2,0,1]=4 2572 B11R1.28 FCSCCc1ccccc1 62a_100000765856_100015361967 [0,1,0,0,0,0|2,0,1]=4 2573 B11R1.28 FCSCCc1ccccc1 62a_100015361967_100011218657 [0,1,0,0,0,0|2,0,1]=4 2574 B11R1.28 FCSCSc1ccccc1 62a_100011218342_100015361967 [0,1,0,0,0,0|1,1,1]=4 2575 B11R1.28 FCSCSc1ccccc1 62a_100015361967_100011218342 [0,1,0,0,0,0|1,1,1]=4 2576 B11R1.28 N#CCCOc1ccccc1 7a_100000210340_100000184422 [0,1,0,0,0,0|0,0,2]=3 2577 B11R1.28 N#CCCOc1cccnc1 7a_100000210849_100000184422 [0,1,0,0,0,0|1,0,2]=4 2578 B11R1.28 N#CCCSc1ccccc1 62a_100000719477_100011215226 [0,1,0,0,0,0|0,1,2]=4 2579 B11R1.28 N#CCCSc1ccccc1 62a_100011215226_100000041952 [0,1,0,0,0,0|0,1,2]=4 2580 B11R1.28 N#CCNCc1ccccc1 2230a_100015324214_100011215382 [0,1,0,0,0,0|2,0,1]=4 2581 B11R1.28 N#CCOCc1ccccc1 7a_100000210790_100011215382 [0,1,0,0,0,0|1,0,1]=3 2582 B11R1.28 N#CCSCc1ccccc1 62a_100000211182_100011215382 [0,1,0,0,0,0|1,1,1]=4 2583 B11R1.28 N#CCSCc1ccccc1 62a_100011215382_100015291786 [0,1,0,0,0,0|1,1,1]=4 2584 B11R1.28 N#CSCSc1ccccc1 62a_100000211825_100000041952 [0,1,0,0,0,0|1,1,1]=4 2585 B11R1.28 N#CSCSc1ccccc1 62a_100000719477_100000211825 [0,1,0,0,0,0|1,1,1]=4 2586 B11R1.28 NCCOCc1ccccc1 34a_100000210304_100015291786 [0,1,0,0,0,0|1,0,1]=3 2587 B11R1.28 NCCOCc1ccccn1 34a_100000210304_100000721315 [0,1,0,0,0,0|2,0,1]=4 2588 B11R1.28 NCCOCc1cccnc1 34a_100000210304_100000733263 [0,1,0,0,0,0|2,0,1]=4 2589 B11R1.28 O=CCNCc1ccccc1 2230a_100015324214_200015260668 [0,1,0,0,0,0|2,0,0]=3 2590 B11R1.28 O=CCNCc1ccccc1 34a_100015324214_200009817547 [0,1,0,0,0,0|2,0,0]=3 2591 B11R1.28 O=CCOCc1ccccc1 34a_100000210790_200009817547 [0,1,0,0,0,0|1,0,0]=2 2592 B11R1.28 O=CCOCc1ccccc1 7a_100000210790_200015260668 [0,1,0,0,0,0|1,0,0]=2 2593 B11R1.28 O=CCSCc1ccccc1 62a_100000211182_200015260668 [0,1,0,0,0,0|1,1,0]=3 2594 B11R1.28 O=CCSCc1ccccc1 62a_200015260668_100015291786 [0,1,0,0,0,0|1,1,0]=3 2595 B11R1.28 O=CCSCc1ccccn1 62a_100000721315_200015260668 [0,1,0,0,0,0|2,1,0]=4 2596 B11R1.28 O=CCSCc1ccccn1 62a_200015260668_100000721315 [0,1,0,0,0,0|2,1,0]=4 2597 B11R1.28 O=CCSCc1cccnc1 62a_100000741622_200015260668 [0,1,0,0,0,0|2,1,0]=4 2598 B11R1.28 O=CCSCc1cccnc1 62a_200015260668_100000741622 [0,1,0,0,0,0|2,1,0]=4 2599 B11R1.28 O=CCSCc1ccncc1 62a_100015193705_200015260668 [0,1,0,0,0,0|2,1,0]=4 2600 B11R1.28 O=CCSCc1ccncc1 62a_200015260668_100015193705 [0,1,0,0,0,0|2,1,0]=4 2601 B11R1.28 OCCCNc1ccccc1 34a_100000106764_100000230001 [0,1,0,0,0,0|1,0,2]=4 2602 B11R1.28 OCCCOc1ccccc1 34a_100000210340_100000230001 [0,1,0,0,0,0|0,0,2]=3 2603 B11R1.28 OCCCOc1ccccc1 7a_100000210340_100011215043 [0,1,0,0,0,0|0,0,2]=3 2604 B11R1.28 OCCCOc1cccnc1 34a_100000210849_100000230001 [0,1,0,0,0,0|1,0,2]=4 2605 B11R1.28 OCCCOc1cccnc1 7a_100000210849_100011215043 [0,1,0,0,0,0|1,0,2]=4 2606 B11R1.28 OCCCOc1ccncc1 34a_100000212176_100000230001 [0,1,0,0,0,0|1,0,2]=4 2607 B11R1.28 OCCCSc1ccccc1 62a_100000719477_100011215043 [0,1,0,0,0,0|0,1,2]=4 2608 B11R1.28 OCCCSc1ccccc1 62a_100011215043_100000041952 [0,1,0,0,0,0|0,1,2]=4 2609 B11R1.28 OCCNCc1ccccc1 207a_100000210304_100015611070 [0,1,0,0,0,0|2,0,1]=4 2610 B11R1.28 OCCNCc1ccccc1 2230a_100015324214_100000211926 [0,1,0,0,0,0|2,0,1]=4 2611 B11R1.28 OCCNCc1ccccc1 2230a_100016997473_100015291786 [0,1,0,0,0,0|2,0,1]=4 2612 B11R1.28 OCCNCc1ccccc1 270004a_100000210304_100015611070 [0,1,0,0,0,0|2,0,1]=4 2613 B11R1.28 OCCNCc1ccccc1 34a_100015324214_100000211926 [0,1,0,0,0,0|2,0,1]=4 2614 B11R1.28 OCCNCc1ccccc1 34a_100016990907_100015291786 [0,1,0,0,0,0|2,0,1]=4 2615 B11R1.28 OCCOCc1ccccc1 34a_100000210790_100000211926 [0,1,0,0,0,0|1,0,1]=3 2616 B11R1.28 OCCOCc1ccccc1 7a_100000210790_100000211926 [0,1,0,0,0,0|1,0,1]=3 2617 B11R1.28 OCCSCc1ccccc1 62a_100000211182_100000211926 [0,1,0,0,0,0|1,1,1]=4 2618 B11R1.28 OCCSCc1ccccc1 62a_100000211926_100015291786 [0,1,0,0,0,0|1,1,1]=4 2619 B11R1.28 [13CH3]NC/C=C/c1ccccc1 2230a_100020603302_200025704644 [0,1,0,0,0,0|2,0,1]=4 2620 B11R1.28 [13CH3]NC/C=C/c1ccccc1 34a_100020603302_200025704644 [0,1,0,0,0,0|2,0,1]=4 2621 B11R1.28 [13CH3]NCC#Cc1ccccc1 34a_100000735379_200025704644 [0,1,0,0,0,0|2,0,1]=4 2622 B11R1.28 [13CH3]NCCCc1ccccc1 2230a_100000211184_200025704644 [0,1,0,0,0,0|1,0,2]=4 2623 B11R1.28 [13CH3]NCCCc1ccccc1 34a_100000211184_200025704644 [0,1,0,0,0,0|1,0,2]=4 2624 B11R1.28 [13CH3]NCCOc1ccccc1 2230a_100000174943_200025704644 [0,1,0,0,0,0|0,0,2]=3 2625 B11R1.28 [13CH3]NCCOc1ccccc1 34a_100000174943_200025704644 [0,1,0,0,0,0|0,0,2]=3 2626 B11R1.28 [13CH3]NCCOc1ccccn1 2230a_106741647558_200025704644 [0,1,0,0,0,0|1,0,2]=4 2627 B11R1.28 [13CH3]NCCOc1cccnc1 2230a_100000754688_200025704644 [0,1,0,0,0,0|1,0,2]=4 2628 B11R1.28 [13CH3]NCCSc1ccccc1 2230a_100000189519_200025704644 [0,1,0,0,0,0|0,1,2]=4 2629 B11R1.28 [13CH3]OC/C=C/c1ccccc1 34a_100000210256_200025704644 [0,1,0,0,0,0|2,0,1]=4 2630 B11R1.28 [13CH3]OCC#Cc1ccccc1 34a_100011217464_200025704644 [0,1,0,0,0,0|2,0,1]=4 2631 B11R1.28 [13CH3]OCC#Cc1ccccc1 7a_100011217464_200025704644 [0,1,0,0,0,0|2,0,1]=4 2632 B11R1.28 [13CH3]OCCCc1ccccc1 34a_100000210828_200025704644 [0,1,0,0,0,0|1,0,2]=4 2633 B11R1.28 [13CH3]OCCCc1ccccc1 7a_100000210828_200025704644 [0,1,0,0,0,0|1,0,2]=4 2634 B11R1.28 [13CH3]OCCNc1ccccc1 34a_100000211345_200025704644 [0,1,0,0,0,0|1,0,2]=4 2635 B11R1.28 [13CH3]OCCOc1ccccc1 34a_100000210260_200025704644 [0,1,0,0,0,0|0,0,2]=3 2636 B11R1.28 [13CH3]OCCOc1ccccc1 7a_100000210260_200025704644 [0,1,0,0,0,0|0,0,2]=3 2637 B11R1.28 [13CH3]OCCSc1ccccc1 7a_100000230494_200025704644 [0,1,0,0,0,0|0,1,2]=4 2638 B11R1.28 [13CH3]SC/C=C/c1ccccc1 62a_100016265936_200025704644 [0,1,0,0,0,0|2,0,1]=4 2639 B11R1.28 [13CH3]SC/C=C/c1ccccc1 62a_200025704644_100016265936 [0,1,0,0,0,0|2,0,1]=4 2640 B11R1.28 [13CH3]SCC#Cc1ccccc1 62a_200025704644_100011352542 [0,1,0,0,0,0|2,0,1]=4 2641 B11R1.28 [13CH3]SCCCc1ccccc1 62a_100000211621_200025704644 [0,1,0,0,0,0|1,0,2]=4 2642 B11R1.28 [13CH3]SCCCc1ccccc1 62a_200025704644_100000211621 [0,1,0,0,0,0|1,0,2]=4 2643 B11R1.28 [13CH3]SCCOc1ccccc1 62a_100000184471_200025704644 [0,1,0,0,0,0|0,0,2]=3 2644 B11R1.28 [13CH3]SCCOc1ccccc1 62a_200025704644_100000184471 [0,1,0,0,0,0|0,0,2]=3 2645 B11R1.28 [13CH3]SCCSc1ccccc1 62a_100000246102_200025704644 [0,1,0,0,0,0|0,1,2]=4 2646 B11R1.28 [13CH3]SCCSc1ccccc1 62a_200025704644_100000246102 [0,1,0,0,0,0|0,1,2]=4 2647 B11R1.28 [13CH3]SCOCc1ccccc1 62a_100000763385_200025704644 [0,1,0,0,0,0|1,0,1]=3 2648 B11R1.28 [13CH3]SCOCc1ccccc1 62a_200025704644_100000763385 [0,1,0,0,0,0|1,0,1]=3 2649 B11R1.28 [13CH3]SCSCc1ccccc1 62a_200011217039_200025704644 [0,1,0,0,0,0|1,1,1]=4 2650 B11R1.28 [13CH3]SCSCc1ccccc1 62a_200025704644_200011217039 [0,1,0,0,0,0|1,1,1]=4 2651 B11R1.40 C#CC(C)Nc1ccccc1 34a_100000106764_200000035995 [0,1,0,0,0,0|1,0,2]=4 2652 B11R1.40 C#CC(C)Oc1ccccc1 34a_100000210340_200000035995 [0,1,0,0,0,0|0,0,2]=3 2653 B11R1.40 C#CC(C)Oc1cccnc1 34a_100000210849_200000035995 [0,1,0,0,0,0|1,0,2]=4 2654 B11R1.40 C#CC(C)Oc1ccncc1 34a_100000212176_200000035995 [0,1,0,0,0,0|1,0,2]=4 2655 B11R1.40 C#CC(C)Sc1ccccc1 62a_200000035995_100000041952 [0,1,0,0,0,0|0,1,2]=4 2656 B11R1.40 C=CC(=O)Cc1ccccc1 1458a_100000185746_100015291786 [0,1,0,0,0,0|1,0,1]=3 2657 B11R1.40 C=CC(=O)Cc1ccccn1 1458a_100000185746_100000721315 [0,1,0,0,0,0|2,0,1]=4 2658 B11R1.40 C=CC(=O)Cc1cccnc1 1458a_100000185746_100000733263 [0,1,0,0,0,0|2,0,1]=4 2659 B11R1.40 C=CC(=O)Cc1ccncc1 1458a_100000185746_100000705612 [0,1,0,0,0,0|2,0,1]=4 2660 B11R1.40 C=CC(=O)Nc1ccccc1 1626a_100000106764_100000185746 [0,1,0,0,0,0|1,0,1]=3 2661 B11R1.40 C=CC(=O)Nc1ccccc1 22a_100000106764_100000185746 [0,1,0,0,0,0|1,0,1]=3 2662 B11R1.40 C=CC(C)Sc1ccccc1 62a_100011215867_100000041952 [0,1,0,0,0,0|0,1,0]=2 2663 B11R1.40 C=CC(C)Sc1ccccn1 62a_100011215867_100011216584 [0,1,0,0,0,0|1,1,0]=3 2664 B11R1.40 C=CC(C)Sc1cccnc1 62a_100011215867_100000210063 [0,1,0,0,0,0|1,1,0]=3 2665 B11R1.40 C=CC(C)Sc1cccnn1 62a_100011215867_100016991348 [0,1,0,0,0,0|2,1,0]=4 2666 B11R1.40 C=CC(C)Sc1ccncc1 62a_100011215867_100000728582 [0,1,0,0,0,0|1,1,0]=3 2667 B11R1.40 C=CC(C)Sc1ccncn1 62a_100011215867_100000703185 [0,1,0,0,0,0|2,1,0]=4 2668 B11R1.40 C=CC(C)Sc1ccnnc1 62a_100011215867_100000732662 [0,1,0,0,0,0|2,1,0]=4 2669 B11R1.40 C=CC(C)Sc1cnccn1 62a_100011215867_100000211759 [0,1,0,0,0,0|2,1,0]=4 2670 B11R1.40 C=CC(C)Sc1cncnc1 62a_100011215867_100011206942 [0,1,0,0,0,0|2,1,0]=4 2671 B11R1.40 C=CC(C)Sc1ncccn1 62a_100011215867_100000211032 [0,1,0,0,0,0|2,1,0]=4 2672 B11R1.40 CC(C#N)Oc1ccccc1 7a_100000210340_100000703298 [0,1,0,0,0,0|1,0,1]=3 2673 B11R1.40 CC(C#N)Oc1cccnc1 7a_100000210849_100000703298 [0,1,0,0,0,0|2,0,1]=4 2674 B11R1.40 CC(C#N)Sc1ccccc1 62a_100000703298_100000041952 [0,1,0,0,0,0|1,1,1]=4 2675 B11R1.40 CC(C#N)Sc1ccccc1 62a_100000719477_100000703298 [0,1,0,0,0,0|1,1,1]=4 2676 B11R1.40 CC(CO)Nc1ccccc1 34a_100000106764_100012180447 [0,1,0,0,0,0|2,0,1]=4 2677 B11R1.40 CC(CO)Oc1ccccc1 34a_100000210340_100012180447 [0,1,0,0,0,0|1,0,1]=3 2678 B11R1.40 CC(CO)Oc1ccccc1 7a_100000210340_100012180447 [0,1,0,0,0,0|1,0,1]=3 2679 B11R1.40 CC(CO)Oc1cccnc1 34a_100000210849_100012180447 [0,1,0,0,0,0|2,0,1]=4 2680 B11R1.40 CC(CO)Oc1cccnc1 7a_100000210849_100012180447 [0,1,0,0,0,0|2,0,1]=4 2681 B11R1.40 CC(CO)Oc1ccncc1 34a_100000212176_100012180447 [0,1,0,0,0,0|2,0,1]=4 2682 B11R1.40 CC(CO)Sc1ccccc1 62a_100012180447_100000041952 [0,1,0,0,0,0|1,1,1]=4 2683 B11R1.40 CC(Cc1ccccc1)O[13CH3] 34a_100000748627_200025704644 [0,1,0,0,0,0|2,0,1]=4 2684 B11R1.40 CC(Cc1ccccc1)O[13CH3] 7a_100000748627_200025704644 [0,1,0,0,0,0|2,0,1]=4 2685 B11R1.40 CC(Cc1ccccc1)S[13CH3] 62a_200011218536_200025704644 [0,1,0,0,0,0|2,0,1]=4 2686 B11R1.40 CC(Cc1ccccc1)S[13CH3] 62a_200025704644_200011218536 [0,1,0,0,0,0|2,0,1]=4 2687 B11R1.40 CCC(C)Nc1ccccc1 34a_100000106764_100011215416 [0,1,0,0,0,0|1,0,2]=4 2688 B11R1.40 CCC(C)Oc1ccccc1 34a_100000210340_100011215416 [0,1,0,0,0,0|0,0,2]=3 2689 B11R1.40 CCC(C)Oc1ccccc1 7a_100000210340_100000758301 [0,1,0,0,0,0|0,0,2]=3 2690 B11R1.40 CCC(C)Oc1cccnc1 34a_100000210849_100011215416 [0,1,0,0,0,0|1,0,2]=4 2691 B11R1.40 CCC(C)Oc1cccnc1 7a_100000210849_100000758301 [0,1,0,0,0,0|1,0,2]=4 2692 B11R1.40 CCC(C)Oc1ccncc1 34a_100000212176_100011215416 [0,1,0,0,0,0|1,0,2]=4 2693 B11R1.40 CCC(C)Sc1ccccc1 62a_100000719477_100000758301 [0,1,0,0,0,0|0,1,2]=4 2694 B11R1.40 CCC(C)Sc1ccccc1 62a_100000758301_100000041952 [0,1,0,0,0,0|0,1,2]=4 2695 B11R1.40 CNC(C)Cc1ccccc1 34a_100102657272_200011218536 [0,1,0,0,0,0|2,0,1]=4 2696 B11R1.40 CNC(C)Cc1ccccc1 7a_106832991635_200011218536 [0,1,0,0,0,0|2,0,1]=4 2697 B11R1.40 COC(C)Cc1ccccc1 34a_100000748627_200000210301 [0,1,0,0,0,0|2,0,1]=4 2698 B11R1.40 COC(C)Cc1ccccc1 34a_100138415774_200011218536 [0,1,0,0,0,0|2,0,1]=4 2699 B11R1.40 COC(C)Cc1ccccc1 7a_100000748627_200000210301 [0,1,0,0,0,0|2,0,1]=4 2700 B11R1.40 COC(C)Sc1ccccc1 62a_100000719477_100009879195 [0,1,0,0,0,0|1,1,1]=4 2701 B11R1.40 COC(C)Sc1ccccc1 62a_100009879195_100000041952 [0,1,0,0,0,0|1,1,1]=4 2702 B11R1.40 CSC(C)Cc1ccccc1 62a_200000210301_200011218536 [0,1,0,0,0,0|2,0,1]=4 2703 B11R1.40 CSC(C)Cc1ccccc1 62a_200011218536_200000210301 [0,1,0,0,0,0|2,0,1]=4 2704 B11R1.40 C[C@H](CO)Sc1ccccc1 62a_100000719477_100016084084 [0,1,0,0,0,0|1,1,1]=4 2705 B11R1.40 C[C@H](CO)Sc1ccccc1 62a_100016084084_100000041952 [0,1,0,0,0,0|1,1,1]=4 2706 B11R1.40 N#CC(F)Sc1ccccc1 62a_100000719477_200000117898 [0,1,0,0,0,0|1,1,1]=4 2707 B11R1.40 N#CC(F)Sc1ccccc1 62a_200000117898_100000041952 [0,1,0,0,0,0|1,1,1]=4 2708 B11R1.91 C=C(C)CNc1ccccc1 34a_100000106764_100000748629 [0,1,0,0,0,0|1,0,0]=2 2709 B11R1.91 C=C(C)CNc1cccnn1 27a_100000765925_100016991348 [0,1,0,0,0,0|3,0,0]=4 2710 B11R1.91 C=C(C)CNc1ccncn1 27a_100000765925_100000703185 [0,1,0,0,0,0|3,0,0]=4 2711 B11R1.91 C=C(C)CNc1cnccn1 27a_100000765925_100000211759 [0,1,0,0,0,0|3,0,0]=4 2712 B11R1.91 C=C(C)CNc1ncccn1 27a_100000765925_100000211032 [0,1,0,0,0,0|3,0,0]=4 2713 B11R1.91 C=C(C)COc1ccccc1 34a_100000210340_100000748629 [0,1,0,0,0,0|0,0,0]=1 2714 B11R1.91 C=C(C)COc1ccccc1 7a_100000210340_100000748629 [0,1,0,0,0,0|0,0,0]=1 2715 B11R1.91 C=C(C)COc1cccnc1 34a_100000210849_100000748629 [0,1,0,0,0,0|1,0,0]=2 2716 B11R1.91 C=C(C)COc1cccnc1 7a_100000210849_100000748629 [0,1,0,0,0,0|1,0,0]=2 2717 B11R1.91 C=C(C)COc1ccncc1 34a_100000212176_100000748629 [0,1,0,0,0,0|1,0,0]=2 2718 B11R1.91 C=C(C)COc1ccnnc1 34a_100015204005_100000748629 [0,1,0,0,0,0|2,0,0]=3 2719 B11R1.91 C=C(C)COc1cncnc1 7a_100000754086_100000748629 [0,1,0,0,0,0|2,0,0]=3 2720 B11R1.91 C=C(C)CSc1ccccc1 62a_100000719477_100000211660 [0,1,0,0,0,0|0,1,0]=2 2721 B11R1.91 C=C(C)CSc1ccccc1 62a_100000748629_100000041952 [0,1,0,0,0,0|0,1,0]=2 2722 B11R1.91 C=C(C)CSc1ccccn1 62a_100000748629_100011216584 [0,1,0,0,0,0|1,1,0]=3 2723 B11R1.91 C=C(C)CSc1ccccn1 62a_100011216584_100000211660 [0,1,0,0,0,0|1,1,0]=3 2724 B11R1.91 C=C(C)CSc1cccnc1 62a_100000210063_100000211660 [0,1,0,0,0,0|1,1,0]=3 2725 B11R1.91 C=C(C)CSc1cccnc1 62a_100000748629_100000210063 [0,1,0,0,0,0|1,1,0]=3 2726 B11R1.91 C=C(C)CSc1cccnn1 62a_100000748629_100016991348 [0,1,0,0,0,0|2,1,0]=4 2727 B11R1.91 C=C(C)CSc1cccnn1 62a_100016991348_100000211660 [0,1,0,0,0,0|2,1,0]=4 2728 B11R1.91 C=C(C)CSc1ccncc1 62a_100000728582_100000211660 [0,1,0,0,0,0|1,1,0]=3 2729 B11R1.91 C=C(C)CSc1ccncc1 62a_100000748629_100000728582 [0,1,0,0,0,0|1,1,0]=3 2730 B11R1.91 C=C(C)CSc1ccncn1 62a_100000703185_100000211660 [0,1,0,0,0,0|2,1,0]=4 2731 B11R1.91 C=C(C)CSc1ccncn1 62a_100000748629_100000703185 [0,1,0,0,0,0|2,1,0]=4 2732 B11R1.91 C=C(C)CSc1ccnnc1 62a_100000732662_100000211660 [0,1,0,0,0,0|2,1,0]=4 2733 B11R1.91 C=C(C)CSc1ccnnc1 62a_100000748629_100000732662 [0,1,0,0,0,0|2,1,0]=4 2734 B11R1.91 C=C(C)CSc1cnccn1 62a_100000211759_100000211660 [0,1,0,0,0,0|2,1,0]=4 2735 B11R1.91 C=C(C)CSc1cnccn1 62a_100000748629_100000211759 [0,1,0,0,0,0|2,1,0]=4 2736 B11R1.91 C=C(C)CSc1cncnc1 62a_100000748629_100011206942 [0,1,0,0,0,0|2,1,0]=4 2737 B11R1.91 C=C(C)CSc1cncnc1 62a_100011206942_100000211660 [0,1,0,0,0,0|2,1,0]=4 2738 B11R1.91 C=C(C)CSc1ncccn1 62a_100000211032_100000211660 [0,1,0,0,0,0|2,1,0]=4 2739 B11R1.91 C=C(C)CSc1ncccn1 62a_100000748629_100000211032 [0,1,0,0,0,0|2,1,0]=4 2740 B11R1.91 C=C(F)CNc1ccccc1 34a_100000106764_100009893438 [0,1,0,0,0,0|1,0,0]=2 2741 B11R1.91 C=C(F)COc1ccccc1 34a_100000210340_100009893438 [0,1,0,0,0,0|0,0,0]=1 2742 B11R1.91 C=C(F)COc1ccccc1 7a_100000210340_100000042424 [0,1,0,0,0,0|0,0,0]=1 2743 B11R1.91 C=C(F)COc1cccnc1 34a_100000210849_100009893438 [0,1,0,0,0,0|1,0,0]=2 2744 B11R1.91 C=C(F)COc1cccnc1 7a_100000210849_100000042424 [0,1,0,0,0,0|1,0,0]=2 2745 B11R1.91 C=C(F)COc1ccncc1 34a_100000212176_100009893438 [0,1,0,0,0,0|1,0,0]=2 2746 B11R1.91 C=C(F)COc1ccnnc1 34a_100015204005_100009893438 [0,1,0,0,0,0|2,0,0]=3 2747 B11R1.91 C=C(F)COc1cncnc1 7a_100000754086_100000042424 [0,1,0,0,0,0|2,0,0]=3 2748 B11R1.91 C=C(F)CSc1ccccc1 62a_100000042424_100000041952 [0,1,0,0,0,0|0,1,0]=2 2749 B11R1.91 C=C(F)CSc1ccccc1 62a_100000719477_100000042424 [0,1,0,0,0,0|0,1,0]=2 2750 B11R1.91 C=C(F)CSc1ccccn1 62a_100000042424_100011216584 [0,1,0,0,0,0|1,1,0]=3 2751 B11R1.91 C=C(F)CSc1ccccn1 62a_100011216584_100000042424 [0,1,0,0,0,0|1,1,0]=3 2752 B11R1.91 C=C(F)CSc1cccnc1 62a_100000042424_100000210063 [0,1,0,0,0,0|1,1,0]=3 2753 B11R1.91 C=C(F)CSc1cccnc1 62a_100000210063_100000042424 [0,1,0,0,0,0|1,1,0]=3 2754 B11R1.91 C=C(F)CSc1cccnn1 62a_100000042424_100016991348 [0,1,0,0,0,0|2,1,0]=4 2755 B11R1.91 C=C(F)CSc1cccnn1 62a_100016991348_100000042424 [0,1,0,0,0,0|2,1,0]=4 2756 B11R1.91 C=C(F)CSc1ccncc1 62a_100000042424_100000728582 [0,1,0,0,0,0|1,1,0]=3 2757 B11R1.91 C=C(F)CSc1ccncc1 62a_100000728582_100000042424 [0,1,0,0,0,0|1,1,0]=3 2758 B11R1.91 C=C(F)CSc1ccncn1 62a_100000042424_100000703185 [0,1,0,0,0,0|2,1,0]=4 2759 B11R1.91 C=C(F)CSc1ccncn1 62a_100000703185_100000042424 [0,1,0,0,0,0|2,1,0]=4 2760 B11R1.91 C=C(F)CSc1ccnnc1 62a_100000042424_100000732662 [0,1,0,0,0,0|2,1,0]=4 2761 B11R1.91 C=C(F)CSc1ccnnc1 62a_100000732662_100000042424 [0,1,0,0,0,0|2,1,0]=4 2762 B11R1.91 C=C(F)CSc1cnccn1 62a_100000042424_100000211759 [0,1,0,0,0,0|2,1,0]=4 2763 B11R1.91 C=C(F)CSc1cnccn1 62a_100000211759_100000042424 [0,1,0,0,0,0|2,1,0]=4 2764 B11R1.91 C=C(F)CSc1cncnc1 62a_100000042424_100011206942 [0,1,0,0,0,0|2,1,0]=4 2765 B11R1.91 C=C(F)CSc1cncnc1 62a_100011206942_100000042424 [0,1,0,0,0,0|2,1,0]=4 2766 B11R1.91 C=C(F)CSc1ncccn1 62a_100000042424_100000211032 [0,1,0,0,0,0|2,1,0]=4 2767 B11R1.91 C=C(F)CSc1ncccn1 62a_100000211032_100000042424 [0,1,0,0,0,0|2,1,0]=4 2768 B11R1.91 CC(=O)C#Cc1ccccc1 1458a_100000736102_200000210301 [0,1,0,0,0,0|1,0,2]=4 2769 B11R1.91 CC(=O)C=Cc1ccccc1 1458a_100000210462_200000210301 [0,1,0,0,0,0|1,0,2]=4 2770 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000070787_100000765856 [0,1,0,0,0,0|1,0,1]=3 2771 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000185753_200000210301 [0,1,0,0,0,0|1,0,1]=3 2772 B11R1.91 CC(=O)CCc1ccccn1 1458a_100000070787_100015183660 [0,1,0,0,0,0|2,0,1]=4 2773 B11R1.91 CC(=O)CCc1ccccn1 1458a_100015195070_200000210301 [0,1,0,0,0,0|2,0,1]=4 2774 B11R1.91 CC(=O)CCc1cccnc1 1458a_100000070787_200011713674 [0,1,0,0,0,0|2,0,1]=4 2775 B11R1.91 CC(=O)CCc1cccnc1 1458a_100000198484_200000210301 [0,1,0,0,0,0|2,0,1]=4 2776 B11R1.91 CC(=O)CCc1ccncc1 1458a_100000070787_100000723409 [0,1,0,0,0,0|2,0,1]=4 2777 B11R1.91 CC(=O)CCc1ccncc1 1458a_100011225043_200000210301 [0,1,0,0,0,0|2,0,1]=4 2778 B11R1.91 CC(=O)COc1ccccc1 1458a_100000186222_200000210301 [0,1,0,0,0,0|0,0,1]=2 2779 B11R1.91 CC(=O)COc1ccccn1 1458a_100102699861_200000210301 [0,1,0,0,0,0|1,0,1]=3 2780 B11R1.91 CC(=O)COc1cccnc1 1458a_100015207166_200000210301 [0,1,0,0,0,0|1,0,1]=3 2781 B11R1.91 CC(=O)CSc1ccccc1 1458a_100000211596_200000210301 [0,1,0,0,0,0|0,1,1]=3 2782 B11R1.91 CC(=O)CSc1ccccn1 1458a_100000156281_200000210301 [0,1,0,0,0,0|1,1,1]=4 2783 B11R1.91 CC(=O)CSc1ccncc1 1458a_100000211328_200000210301 [0,1,0,0,0,0|1,1,1]=4 2784 B11R1.91 CC(=O)NCc1ccccc1 11a_100015324214_100015343762 [0,1,0,0,0,0|2,0,1]=4 2785 B11R1.91 CC(=O)NCc1ccccc1 1626a_100015324214_100015343762 [0,1,0,0,0,0|2,0,1]=4 2786 B11R1.91 CC(=O)NCc1ccccc1 240690a_100015324214_100015343762 [0,1,0,0,0,0|2,0,1]=4 2787 B11R1.91 CC(=O)NCc1ccccc1 527a_100015324214_100103153847 [0,1,0,0,0,0|2,0,1]=4 2788 B11R1.91 CC(=O)NNc1ccccc1 22a_100015195140_100000070787 [0,1,0,0,0,0|2,0,1]=4 2789 B11R1.91 CC(C)CNc1ccccc1 34a_100000106764_100000210624 [0,1,0,0,0,0|1,0,2]=4 2790 B11R1.91 CC(C)COc1ccccc1 34a_100000210340_100000210624 [0,1,0,0,0,0|0,0,2]=3 2791 B11R1.91 CC(C)COc1ccccc1 7a_100000210340_100000210760 [0,1,0,0,0,0|0,0,2]=3 2792 B11R1.91 CC(C)COc1cccnc1 34a_100000210849_100000210624 [0,1,0,0,0,0|1,0,2]=4 2793 B11R1.91 CC(C)COc1cccnc1 7a_100000210849_100000210760 [0,1,0,0,0,0|1,0,2]=4 2794 B11R1.91 CC(C)COc1ccncc1 34a_100000212176_100000210624 [0,1,0,0,0,0|1,0,2]=4 2795 B11R1.91 CC(C)CSc1ccccc1 62a_100000210624_100000041952 [0,1,0,0,0,0|0,1,2]=4 2796 B11R1.91 CC(C)CSc1ccccc1 62a_100000719477_100000210760 [0,1,0,0,0,0|0,1,2]=4 2797 B11R1.91 CC(O)CNc1ccccc1 34a_100000106764_100011218427 [0,1,0,0,0,0|1,0,2]=4 2798 B11R1.91 CC(O)COc1ccccc1 34a_100000210340_100011218427 [0,1,0,0,0,0|0,0,2]=3 2799 B11R1.91 CC(O)COc1ccccc1 7a_100000210340_100011218427 [0,1,0,0,0,0|0,0,2]=3 2800 B11R1.91 CC(O)COc1cccnc1 34a_100000210849_100011218427 [0,1,0,0,0,0|1,0,2]=4 2801 B11R1.91 CC(O)COc1cccnc1 7a_100000210849_100011218427 [0,1,0,0,0,0|1,0,2]=4 2802 B11R1.91 CC(O)COc1ccncc1 34a_100000212176_100011218427 [0,1,0,0,0,0|1,0,2]=4 2803 B11R1.91 CC(O)CSc1ccccc1 62a_100000719477_100011218427 [0,1,0,0,0,0|0,1,2]=4 2804 B11R1.91 CC(O)CSc1ccccc1 62a_100011218427_100000041952 [0,1,0,0,0,0|0,1,2]=4 2805 B11R1.91 CN(C)CCc1ccccc1 2230a_100000207497_200000210301 [0,1,0,0,0,0|2,0,1]=4 2806 B11R1.91 CN(C)CCc1ccccc1 2230a_100102631434_100000765856 [0,1,0,0,0,0|2,0,1]=4 2807 B11R1.91 CN(C)CCc1ccccc1 269982a_100000207497_200000210301 [0,1,0,0,0,0|2,0,1]=4 2808 B11R1.91 CN(C)CCc1ccccc1 269982a_100102631434_100000765856 [0,1,0,0,0,0|2,0,1]=4 2809 B11R1.91 CN(C)CSc1ccccc1 2230a_100102631434_100011218342 [0,1,0,0,0,0|1,1,1]=4 2810 B11R1.91 CN(C)CSc1ccccc1 269982a_100102631434_100011218342 [0,1,0,0,0,0|1,1,1]=4 2811 B11R1.91 CN([13CH3])CCc1ccccc1 2230a_100000207497_200025704644 [0,1,0,0,0,0|2,0,1]=4 2812 B11R1.91 CN([13CH3])CCc1ccccc1 269982a_100000207497_200025704644 [0,1,0,0,0,0|2,0,1]=4 2813 B11R1.91 C[C@@H](O)CNc1ccccc1 34a_100000106764_100009817552 [0,1,0,0,0,0|1,0,2]=4 2814 B11R1.91 C[C@@H](O)COc1ccccc1 34a_100000210340_100009817552 [0,1,0,0,0,0|0,0,2]=3 2815 B11R1.91 C[C@@H](O)COc1ccccc1 7a_100000210340_100009817552 [0,1,0,0,0,0|0,0,2]=3 2816 B11R1.91 C[C@@H](O)COc1cccnc1 34a_100000210849_100009817552 [0,1,0,0,0,0|1,0,2]=4 2817 B11R1.91 C[C@@H](O)COc1cccnc1 7a_100000210849_100009817552 [0,1,0,0,0,0|1,0,2]=4 2818 B11R1.91 C[C@@H](O)COc1ccncc1 34a_100000212176_100009817552 [0,1,0,0,0,0|1,0,2]=4 2819 B11R1.91 C[C@@H](O)CSc1ccccc1 62a_100000719477_100009817552 [0,1,0,0,0,0|0,1,2]=4 2820 B11R1.91 C[C@@H](O)CSc1ccccc1 62a_100009817552_100000041952 [0,1,0,0,0,0|0,1,2]=4 2821 B11R1.91 FC(F)CNc1ccccc1 34a_100000106764_100011934356 [0,1,0,0,0,0|2,0,1]=4 2822 B11R1.91 FC(F)COc1ccccc1 34a_100000210340_100011934356 [0,1,0,0,0,0|1,0,1]=3 2823 B11R1.91 FC(F)COc1ccccc1 7a_100000210340_100011934356 [0,1,0,0,0,0|1,0,1]=3 2824 B11R1.91 FC(F)COc1cccnc1 34a_100000210849_100011934356 [0,1,0,0,0,0|2,0,1]=4 2825 B11R1.91 FC(F)COc1cccnc1 7a_100000210849_100011934356 [0,1,0,0,0,0|2,0,1]=4 2826 B11R1.91 FC(F)COc1ccncc1 34a_100000212176_100011934356 [0,1,0,0,0,0|2,0,1]=4 2827 B11R1.91 FC(F)CSc1ccccc1 62a_100000719477_100011934356 [0,1,0,0,0,0|1,1,1]=4 2828 B11R1.91 FC(F)CSc1ccccc1 62a_100011934356_100000041952 [0,1,0,0,0,0|1,1,1]=4 2829 B11R1.91 NC(=O)CNc1ccccc1 34a_100000106764_100000187820 [0,1,0,0,0,0|2,0,0]=3 2830 B11R1.91 NC(=O)COc1ccccc1 34a_100000210340_100000187820 [0,1,0,0,0,0|1,0,0]=2 2831 B11R1.91 NC(=O)COc1ccccc1 7a_100000210340_100000187820 [0,1,0,0,0,0|1,0,0]=2 2832 B11R1.91 NC(=O)COc1cccnc1 34a_100000210849_100000187820 [0,1,0,0,0,0|2,0,0]=3 2833 B11R1.91 NC(=O)COc1cccnc1 7a_100000210849_100000187820 [0,1,0,0,0,0|2,0,0]=3 2834 B11R1.91 NC(=O)COc1ccncc1 34a_100000212176_100000187820 [0,1,0,0,0,0|2,0,0]=3 2835 B11R1.91 NC(=O)COc1ccnnc1 34a_100015204005_100000187820 [0,1,0,0,0,0|3,0,0]=4 2836 B11R1.91 NC(=O)COc1cncnc1 7a_100000754086_100000187820 [0,1,0,0,0,0|3,0,0]=4 2837 B11R1.91 NC(=O)CSc1ccccc1 62a_100000719477_100000747473 [0,1,0,0,0,0|1,1,0]=3 2838 B11R1.91 NC(=O)CSc1ccccc1 62a_100000747473_100000041952 [0,1,0,0,0,0|1,1,0]=3 2839 B11R1.91 NC(=O)CSc1ccccn1 62a_100000747473_100011216584 [0,1,0,0,0,0|2,1,0]=4 2840 B11R1.91 NC(=O)CSc1ccccn1 62a_100011216584_100000747473 [0,1,0,0,0,0|2,1,0]=4 2841 B11R1.91 NC(=O)CSc1cccnc1 62a_100000210063_100000747473 [0,1,0,0,0,0|2,1,0]=4 2842 B11R1.91 NC(=O)CSc1cccnc1 62a_100000747473_100000210063 [0,1,0,0,0,0|2,1,0]=4 2843 B11R1.91 NC(=O)CSc1ccncc1 62a_100000728582_100000747473 [0,1,0,0,0,0|2,1,0]=4 2844 B11R1.91 NC(=O)CSc1ccncc1 62a_100000747473_100000728582 [0,1,0,0,0,0|2,1,0]=4 2845 B11R1.91 O=C([O-])CNc1ccccc1 34a_100000106764_100020667443 [0,1,0,0,0,0|2,0,0]=3 2846 B11R1.91 O=C([O-])COc1ccccc1 34a_100000210340_100020667443 [0,1,0,0,0,0|1,0,0]=2 2847 B11R1.91 O=C([O-])COc1cccnc1 34a_100000210849_100020667443 [0,1,0,0,0,0|2,0,0]=3 2848 B11R1.91 O=C([O-])COc1ccncc1 34a_100000212176_100020667443 [0,1,0,0,0,0|2,0,0]=3 2849 B11R1.91 O=C([O-])COc1ccnnc1 34a_100015204005_100020667443 [0,1,0,0,0,0|3,0,0]=4 2850 B11R1.91 O=C([O-])CSc1ccccc1 62a_100000719477_100020667443 [0,1,0,0,0,0|1,1,0]=3 2851 B11R1.91 O=C([O-])CSc1ccccc1 62a_100020667443_100000041952 [0,1,0,0,0,0|1,1,0]=3 2852 B11R1.91 O=C([O-])CSc1ccccn1 62a_100011216584_100020667443 [0,1,0,0,0,0|2,1,0]=4 2853 B11R1.91 O=C([O-])CSc1ccccn1 62a_100020667443_100011216584 [0,1,0,0,0,0|2,1,0]=4 2854 B11R1.91 O=C([O-])CSc1cccnc1 62a_100000210063_100020667443 [0,1,0,0,0,0|2,1,0]=4 2855 B11R1.91 O=C([O-])CSc1cccnc1 62a_100020667443_100000210063 [0,1,0,0,0,0|2,1,0]=4 2856 B11R1.91 O=C([O-])CSc1ccncc1 62a_100000728582_100020667443 [0,1,0,0,0,0|2,1,0]=4 2857 B11R1.91 O=C([O-])CSc1ccncc1 62a_100020667443_100000728582 [0,1,0,0,0,0|2,1,0]=4 2858 B11R1.91 O=[N+]([O-])CNc1ccccc1 34a_100000106764_100000761209 [0,1,0,0,0,0|3,0,0]=4 2859 B11R1.91 O=[N+]([O-])COc1ccccc1 34a_100000210340_100000761209 [0,1,0,0,0,0|2,0,0]=3 2860 B11R1.91 O=[N+]([O-])COc1cccnc1 34a_100000210849_100000761209 [0,1,0,0,0,0|3,0,0]=4 2861 B11R1.91 O=[N+]([O-])COc1ccncc1 34a_100000212176_100000761209 [0,1,0,0,0,0|3,0,0]=4 2862 B11R1.91 O=[N+]([O-])CSc1ccccc1 62a_100000719477_100000761209 [0,1,0,0,0,0|2,1,0]=4 2863 B11R1.91 [13CH3]C(=O)C#Cc1ccccc1 1458a_100000736102_200025704644 [0,1,0,0,0,0|1,0,2]=4 2864 B11R1.91 [13CH3]C(=O)C=Cc1ccccc1 1458a_100000210462_200025704644 [0,1,0,0,0,0|1,0,2]=4 2865 B11R1.91 [13CH3]C(=O)CCc1ccccc1 1458a_100000185753_200025704644 [0,1,0,0,0,0|1,0,1]=3 2866 B11R1.91 [13CH3]C(=O)CCc1ccccn1 1458a_100015195070_200025704644 [0,1,0,0,0,0|2,0,1]=4 2867 B11R1.91 [13CH3]C(=O)CCc1cccnc1 1458a_100000198484_200025704644 [0,1,0,0,0,0|2,0,1]=4 2868 B11R1.91 [13CH3]C(=O)CCc1ccncc1 1458a_100011225043_200025704644 [0,1,0,0,0,0|2,0,1]=4 2869 B11R1.91 [13CH3]C(=O)COc1ccccc1 1458a_100000186222_200025704644 [0,1,0,0,0,0|0,0,1]=2 2870 B11R1.91 [13CH3]C(=O)COc1ccccn1 1458a_100102699861_200025704644 [0,1,0,0,0,0|1,0,1]=3 2871 B11R1.91 [13CH3]C(=O)COc1cccnc1 1458a_100015207166_200025704644 [0,1,0,0,0,0|1,0,1]=3 2872 B11R1.91 [13CH3]C(=O)CSc1ccccc1 1458a_100000211596_200025704644 [0,1,0,0,0,0|0,1,1]=3 2873 B11R1.91 [13CH3]C(=O)CSc1ccccn1 1458a_100000156281_200025704644 [0,1,0,0,0,0|1,1,1]=4 2874 B11R1.91 [13CH3]C(=O)CSc1ccncc1 1458a_100000211328_200025704644 [0,1,0,0,0,0|1,1,1]=4 2875 B9R0.18 C=CC=CC(=O)CCC=C 1458a_100016291481_100000754431 [0,0,1,0,0,0|2,0,0]=3 2876 B9R0.18 C=CC=CC(=O)NCC=C 1626a_100020586998_100016291481 [0,0,1,0,0,0|2,0,0]=3 2877 B9R0.40 C=CCC(C=C)OCC=O 34a_100000038011_200009817547 [0,0,1,0,0,0|1,0,2]=4 2878 B9R0.40 C=CCC(C=C)OCC=O 7a_100000038011_200015260668 [0,0,1,0,0,0|1,0,2]=4 2879 B9R0.40 C=CCOC(C=C)CC=C 34a_100000038011_100015514636 [0,0,1,0,0,0|0,0,2]=3 2880 B9R0.40 C=CCOC(C=C)CC=C 7a_100000038011_100015514636 [0,0,1,0,0,0|0,0,2]=3 2881 B9R0.45 C/C=C/C=C/COCC=O 34a_100016283227_200009817547 [0,0,1,0,0,0|1,0,2]=4 2882 B9R0.45 C=CCOC/C=C/C=C/C 34a_100016283227_100015514636 [0,0,1,0,0,0|0,0,2]=3 2883 B11R2.1 Oc1coc2c1cccc2 271570a_203496583355_100009812202 [0,0,0,1,0,0|1,0,1]=3 2884 B11R2.1 Oc1coc2c1nccc2 271570a_203496583355_100009889148 [0,0,0,1,0,0|2,0,1]=4 2885 B11R2.1 Oc1csc2c1cccc2 271570a_203496583355_100009813928 [0,0,0,1,0,0|1,1,1]=4 2886 B11R2.1 Oc1n[nH]c2c1cccc2 271570a_203496583355_100000050141 [0,0,0,1,0,0|3,0,0]=4 2887 B11R2.238 c1cc(ccn1)OC2CC2 34a_100000212176_100000211595 [0,0,0,1,0,0|1,0,2]=4 2888 B11R2.238 c1ccc(cc1)NC2CC2 34a_100000106764_100000211595 [0,0,0,1,0,0|1,0,2]=4 2889 B11R2.238 c1ccc(cc1)OC2CC2 34a_100000210340_100000211595 [0,0,0,1,0,0|0,0,2]=3 2890 B11R2.238 c1ccc(cc1)SC2CC2 62a_100000719477_100000211595 [0,0,0,1,0,0|0,1,2]=4 2891 B11R2.238 c1cncc(c1)OC2CC2 34a_100000210849_100000211595 [0,0,0,1,0,0|1,0,2]=4 2892 B11R2.988 CNC1Cc2c1cccc2 7a_106832991635_100009813401 [0,0,0,1,0,0|2,0,1]=4 2893 B11R2.988 CSC1Cc2c1cccc2 62a_100009813401_200000210301 [0,0,0,1,0,0|2,0,1]=4 2894 B11R2.988 CSC1Cc2c1cccc2 62a_200000210301_100009813401 [0,0,0,1,0,0|2,0,1]=4 2895 B11R2.988 [13CH3]SC1Cc2c1cccc2 62a_100009813401_200025704644 [0,0,0,1,0,0|2,0,1]=4 2896 B11R2.988 [13CH3]SC1Cc2c1cccc2 62a_200025704644_100009813401 [0,0,0,1,0,0|2,0,1]=4 2897 B9R1.12 C#CCOc1ccsc1 34a_100000106738_100000184674 [0,0,0,0,1,0|1,0,2]=4 2898 B9R1.12 C#CCOc1ccsc1 7a_100000106738_100000038162 [0,0,0,0,1,0|1,0,2]=4 2899 B9R1.12 C=CCOc1ccsc1 34a_100000106738_100015514636 [0,0,0,0,1,0|1,0,0]=2 2900 B9R1.12 C=CCOc1ccsc1 7a_100000106738_100015514636 [0,0,0,0,1,0|1,0,0]=2 2901 B9R1.12 C=CCSc1c[nH]cn1 62a_100000210623_100000756875 [0,0,0,0,1,0|2,1,0]=4 2902 B9R1.12 C=CCSc1c[nH]cn1 62a_100000756875_100000210623 [0,0,0,0,1,0|2,1,0]=4 2903 B9R1.12 C=CCSc1cc[nH]n1 62a_100000062575_100000210623 [0,0,0,0,1,0|2,1,0]=4 2904 B9R1.12 C=CCSc1cc[nH]n1 62a_100000210623_100000062575 [0,0,0,0,1,0|2,1,0]=4 2905 B9R1.12 C=CCSc1ccco1 62a_100000210623_100009814098 [0,0,0,0,1,0|1,1,0]=3 2906 B9R1.12 C=CCSc1ccco1 62a_100009814098_100000210623 [0,0,0,0,1,0|1,1,0]=3 2907 B9R1.12 C=CCSc1cccs1 62a_100000210623_100011215356 [0,0,0,0,1,0|1,1,0]=3 2908 B9R1.12 C=CCSc1cccs1 62a_100011215356_100000210623 [0,0,0,0,1,0|1,1,0]=3 2909 B9R1.12 C=CCSc1ccoc1 62a_100000210623_100011215275 [0,0,0,0,1,0|1,1,0]=3 2910 B9R1.12 C=CCSc1ccoc1 62a_100011215275_100000210623 [0,0,0,0,1,0|1,1,0]=3 2911 B9R1.12 C=CCSc1ccon1 62a_100000210623_100009818083 [0,0,0,0,1,0|2,1,0]=4 2912 B9R1.12 C=CCSc1ccon1 62a_100009818083_100000210623 [0,0,0,0,1,0|2,1,0]=4 2913 B9R1.12 C=CCSc1ccsc1 62a_100000210623_100000738268 [0,0,0,0,1,0|1,1,0]=3 2914 B9R1.12 C=CCSc1ccsc1 62a_100000738268_100000210623 [0,0,0,0,1,0|1,1,0]=3 2915 B9R1.12 C=CCSc1ccsn1 62a_100000210623_100009818082 [0,0,0,0,1,0|2,1,0]=4 2916 B9R1.12 C=CCSc1ccsn1 62a_100009818082_100000210623 [0,0,0,0,1,0|2,1,0]=4 2917 B9R1.12 C=CCSc1cn[nH]c1 62a_100000210623_100000238712 [0,0,0,0,1,0|2,1,0]=4 2918 B9R1.12 C=CCSc1cn[nH]c1 62a_100000238712_100000210623 [0,0,0,0,1,0|2,1,0]=4 2919 B9R1.12 C=CCSc1cnco1 62a_100000210623_100020591547 [0,0,0,0,1,0|2,1,0]=4 2920 B9R1.12 C=CCSc1cnco1 62a_100020591547_100000210623 [0,0,0,0,1,0|2,1,0]=4 2921 B9R1.12 C=CCSc1cncs1 62a_100000210623_100011934649 [0,0,0,0,1,0|2,1,0]=4 2922 B9R1.12 C=CCSc1cncs1 62a_100011934649_100000210623 [0,0,0,0,1,0|2,1,0]=4 2923 B9R1.12 C=CCSc1cnoc1 62a_100000210623_100009815712 [0,0,0,0,1,0|2,1,0]=4 2924 B9R1.12 C=CCSc1cnoc1 62a_100009815712_100000210623 [0,0,0,0,1,0|2,1,0]=4 2925 B9R1.12 C=CCSc1cnsc1 62a_100000210623_100009815736 [0,0,0,0,1,0|2,1,0]=4 2926 B9R1.12 C=CCSc1cnsc1 62a_100009815736_100000210623 [0,0,0,0,1,0|2,1,0]=4 2927 B9R1.12 C=CCSc1cscn1 62a_100000210623_100000751502 [0,0,0,0,1,0|2,1,0]=4 2928 B9R1.12 C=CCSc1cscn1 62a_100000751502_100000210623 [0,0,0,0,1,0|2,1,0]=4 2929 B9R1.12 C=CCSc1ncc[nH]1 62a_100000210623_100025796157 [0,0,0,0,1,0|2,1,0]=4 2930 B9R1.12 C=CCSc1ncc[nH]1 62a_100025796157_100000210623 [0,0,0,0,1,0|2,1,0]=4 2931 B9R1.12 C=CCSc1ncco1 62a_100000210623_100011787736 [0,0,0,0,1,0|2,1,0]=4 2932 B9R1.12 C=CCSc1ncco1 62a_100011787736_100000210623 [0,0,0,0,1,0|2,1,0]=4 2933 B9R1.12 C=CCSc1nccs1 62a_100000210623_100000211983 [0,0,0,0,1,0|2,1,0]=4 2934 B9R1.12 C=CCSc1nccs1 62a_100000211983_100000210623 [0,0,0,0,1,0|2,1,0]=4 2935 B9R1.12 CCCOc1ccsc1 34a_100000106738_100000210303 [0,0,0,0,1,0|1,0,2]=4 2936 B9R1.12 CCCOc1ccsc1 7a_100000106738_100000210303 [0,0,0,0,1,0|1,0,2]=4 2937 B9R1.12 CSCOc1ccsc1 34a_100000106738_100011218213 [0,0,0,0,1,0|2,0,1]=4 2938 B9R1.12 FCCOc1ccsc1 34a_100000106738_100011217306 [0,0,0,0,1,0|2,0,1]=4 2939 B9R1.12 FCCOc1ccsc1 7a_100000106738_100011217306 [0,0,0,0,1,0|2,0,1]=4 2940 B9R1.12 N#CCOc1ccsc1 7a_100000106738_100011215382 [0,0,0,0,1,0|2,0,1]=4 2941 B9R1.12 O=CCOc1ccsc1 34a_100000106738_200009817547 [0,0,0,0,1,0|2,0,0]=3 2942 B9R1.12 O=CCOc1ccsc1 7a_100000106738_200015260668 [0,0,0,0,1,0|2,0,0]=3 2943 B9R1.12 O=CCSc1ccco1 62a_100009814098_200015260668 [0,0,0,0,1,0|2,1,0]=4 2944 B9R1.12 O=CCSc1ccco1 62a_200015260668_100009814098 [0,0,0,0,1,0|2,1,0]=4 2945 B9R1.12 O=CCSc1cccs1 62a_100011215356_200015260668 [0,0,0,0,1,0|2,1,0]=4 2946 B9R1.12 O=CCSc1cccs1 62a_200015260668_100011215356 [0,0,0,0,1,0|2,1,0]=4 2947 B9R1.12 O=CCSc1ccoc1 62a_100011215275_200015260668 [0,0,0,0,1,0|2,1,0]=4 2948 B9R1.12 O=CCSc1ccoc1 62a_200015260668_100011215275 [0,0,0,0,1,0|2,1,0]=4 2949 B9R1.12 O=CCSc1ccsc1 62a_100000738268_200015260668 [0,0,0,0,1,0|2,1,0]=4 2950 B9R1.12 O=CCSc1ccsc1 62a_200015260668_100000738268 [0,0,0,0,1,0|2,1,0]=4 2951 B9R1.12 OCCOc1ccsc1 34a_100000106738_100000211926 [0,0,0,0,1,0|2,0,1]=4 2952 B9R1.12 OCCOc1ccsc1 7a_100000106738_100000211926 [0,0,0,0,1,0|2,0,1]=4 2953 B8R0.1 C=CC=CC(=O)CC=C 1458a_100016291481_100000210623 [1,0,1,0,0,0|1,0,0]=3 2954 B8R0.11 C=CC(C=C)OCC=O 34a_100000033096_200009817547 [1,0,1,0,0,0|1,0,1]=4 2955 B8R0.11 C=CCOC(C=C)C=C 34a_100000033096_100015514636 [1,0,1,0,0,0|0,0,1]=3 2956 B8R1.2 C=Cc1ccccc1 271570a_100011290941_100000210277 [2,0,0,0,0,0|0,0,0]=2 2957 B8R1.2 C=Cc1ccccn1 271570a_100011290941_100011216584 [2,0,0,0,0,0|1,0,0]=3 2958 B8R1.2 C=Cc1cccnc1 271570a_100011290941_100000752921 [2,0,0,0,0,0|1,0,0]=3 2959 B8R1.2 C=Cc1cccnn1 271570a_100011290941_100016991348 [2,0,0,0,0,0|2,0,0]=4 2960 B8R1.2 C=Cc1ccncc1 271570a_100011290941_100000035832 [2,0,0,0,0,0|1,0,0]=3 2961 B8R1.2 C=Cc1ccncn1 271570a_100011290941_100000703185 [2,0,0,0,0,0|2,0,0]=4 2962 B8R1.2 C=Cc1ccnnc1 271570a_100011290941_100000732662 [2,0,0,0,0,0|2,0,0]=4 2963 B8R1.2 C=Cc1cnccn1 271570a_100011290941_100000758340 [2,0,0,0,0,0|2,0,0]=4 2964 B8R1.2 C=Cc1cncnc1 271570a_100011290941_100011206942 [2,0,0,0,0,0|2,0,0]=4 2965 B8R1.2 C=Cc1ncccn1 271570a_100011290941_100000211032 [2,0,0,0,0,0|2,0,0]=4 2966 B8R1.2 CNc1ccccc1 34a_100000106764_200000210301 [2,0,0,0,0,0|1,0,0]=3 2967 B8R1.2 COc1ccccc1 34a_100000210340_200000210301 [2,0,0,0,0,0|0,0,0]=2 2968 B8R1.2 COc1ccccc1 7a_100000210340_200000210301 [2,0,0,0,0,0|0,0,0]=2 2969 B8R1.2 COc1cccnc1 34a_100000210849_200000210301 [2,0,0,0,0,0|1,0,0]=3 2970 B8R1.2 COc1cccnc1 7a_100000210849_200000210301 [2,0,0,0,0,0|1,0,0]=3 2971 B8R1.2 COc1ccncc1 34a_100000212176_200000210301 [2,0,0,0,0,0|1,0,0]=3 2972 B8R1.2 COc1ccnnc1 34a_100015204005_200000210301 [2,0,0,0,0,0|2,0,0]=4 2973 B8R1.2 COc1cncnc1 7a_100000754086_200000210301 [2,0,0,0,0,0|2,0,0]=4 2974 B8R1.2 CSc1ccccc1 62a_100000719477_200000210301 [2,0,0,0,0,0|0,1,0]=3 2975 B8R1.2 CSc1ccccc1 62a_200000210301_100000041952 [2,0,0,0,0,0|0,1,0]=3 2976 B8R1.2 CSc1ccccn1 62a_100011216584_200000210301 [2,0,0,0,0,0|1,1,0]=4 2977 B8R1.2 CSc1ccccn1 62a_200000210301_100011216584 [2,0,0,0,0,0|1,1,0]=4 2978 B8R1.2 CSc1cccnc1 62a_100000210063_200000210301 [2,0,0,0,0,0|1,1,0]=4 2979 B8R1.2 CSc1cccnc1 62a_200000210301_100000210063 [2,0,0,0,0,0|1,1,0]=4 2980 B8R1.2 CSc1ccncc1 62a_100000728582_200000210301 [2,0,0,0,0,0|1,1,0]=4 2981 B8R1.2 CSc1ccncc1 62a_200000210301_100000728582 [2,0,0,0,0,0|1,1,0]=4 2982 B8R1.2 [13CH3]Nc1ccccc1 34a_100000106764_200025704644 [2,0,0,0,0,0|1,0,0]=3 2983 B8R1.2 [13CH3]Oc1ccccc1 34a_100000210340_200025704644 [2,0,0,0,0,0|0,0,0]=2 2984 B8R1.2 [13CH3]Oc1ccccc1 7a_100000210340_200025704644 [2,0,0,0,0,0|0,0,0]=2 2985 B8R1.2 [13CH3]Oc1cccnc1 34a_100000210849_200025704644 [2,0,0,0,0,0|1,0,0]=3 2986 B8R1.2 [13CH3]Oc1cccnc1 7a_100000210849_200025704644 [2,0,0,0,0,0|1,0,0]=3 2987 B8R1.2 [13CH3]Oc1ccncc1 34a_100000212176_200025704644 [2,0,0,0,0,0|1,0,0]=3 2988 B8R1.2 [13CH3]Oc1ccnnc1 34a_100015204005_200025704644 [2,0,0,0,0,0|2,0,0]=4 2989 B8R1.2 [13CH3]Oc1cncnc1 7a_100000754086_200025704644 [2,0,0,0,0,0|2,0,0]=4 2990 B8R1.2 [13CH3]Sc1ccccc1 62a_100000719477_200025704644 [2,0,0,0,0,0|0,1,0]=3 2991 B8R1.2 [13CH3]Sc1ccccc1 62a_200025704644_100000041952 [2,0,0,0,0,0|0,1,0]=3 2992 B8R1.2 [13CH3]Sc1ccccn1 62a_100011216584_200025704644 [2,0,0,0,0,0|1,1,0]=4 2993 B8R1.2 [13CH3]Sc1ccccn1 62a_200025704644_100011216584 [2,0,0,0,0,0|1,1,0]=4 2994 B8R1.2 [13CH3]Sc1cccnc1 62a_100000210063_200025704644 [2,0,0,0,0,0|1,1,0]=4 2995 B8R1.2 [13CH3]Sc1cccnc1 62a_200025704644_100000210063 [2,0,0,0,0,0|1,1,0]=4 2996 B8R1.2 [13CH3]Sc1ccncc1 62a_100000728582_200025704644 [2,0,0,0,0,0|1,1,0]=4 2997 B8R1.2 [13CH3]Sc1ccncc1 62a_200025704644_100000728582 [2,0,0,0,0,0|1,1,0]=4 2998 B10R0.18 C=CCOC(=O)CC(=O)C=C 1458a_100000185746_100000033060 [0,1,1,0,0,0|1,0,1]=4 2999 B10R0.19 C=CC=CC(=O)N(C)CC=C 1626a_100000225617_100016291481 [0,1,1,0,0,0|2,0,0]=4 3000 B10R0.78 C=CC=CC(=O)CCC(=C)C 1458a_100016291481_100000730704 [0,1,1,0,0,0|2,0,0]=4 3001 B10R0.78 C=CC=CC(=O)NCC(=C)C 1626a_100000765925_100016291481 [0,1,1,0,0,0|2,0,0]=4 3002 B10R0.91 C=CC=CC(=O)CCCC=C 1458a_100016291481_100000757094 [0,1,1,0,0,0|2,0,0]=4 3003 B10R0.91 C=CC=CC(=O)CCOC=C 1458a_100016291481_100000039644 [0,1,1,0,0,0|2,0,0]=4 3004 B10R0.91 C=CC=CC(=O)NCCC=C 1626a_100015191253_100016291481 [0,1,1,0,0,0|2,0,0]=4 3005 B10R0.91 C=CC=CC(=O)NNCC=C 22a_100020588587_100016291481 [0,1,1,0,0,0|2,0,0]=4 3006 B10R0.91 C=CCCC(=O)C=C/C=C/C 1458a_100000185730_100000754431 [0,1,1,0,0,0|2,0,0]=4 3007 B10R0.91 C=CCNC(=O)C=C/C=C/C 1626a_100020586998_100000185730 [0,1,1,0,0,0|2,0,0]=4 3008 B10R0.91 C=CCNC(=O)C=C/C=C/C 240690a_100020586998_100000185730 [0,1,1,0,0,0|2,0,0]=4 3009 B10R0.24 C=CCC(C=C)OC/C=C/C 34a_100000038011_100102629194 [0,1,1,0,0,0|0,0,2]=4 3010 B10R0.24 C=CCC(C=C)OC/C=C/C 7a_100000038011_100102629194 [0,1,1,0,0,0|0,0,2]=4 3011 B10R0.24 C=CCC(C=C)OCC=CC 34a_100000038011_100000070051 [0,1,1,0,0,0|0,0,2]=4 3012 B10R0.24 C=CCC(C=C)OCC=CC 7a_100000038011_100000070051 [0,1,1,0,0,0|0,0,2]=4 3013 B10R0.24 C=CCCOC(C=C)CC=C 34a_100000038011_100000754431 [0,1,1,0,0,0|0,0,2]=4 3014 B10R0.24 C=CCCOC(C=C)CC=C 7a_100000038011_100000754431 [0,1,1,0,0,0|0,0,2]=4 3015 B10R0.27 C=CCC(C=C)OCC(=C)C 34a_100000038011_100000748629 [0,1,1,0,0,0|0,0,2]=4 3016 B10R0.27 C=CCC(C=C)OCC(=C)C 7a_100000038011_100000748629 [0,1,1,0,0,0|0,0,2]=4 3017 B10R0.27 C=CCC(C=C)OCC(=C)F 34a_100000038011_100009893438 [0,1,1,0,0,0|0,0,2]=4 3018 B10R0.27 C=CCC(C=C)OCC(=C)F 7a_100000038011_100000042424 [0,1,1,0,0,0|0,0,2]=4 3019 B10R0.90 C=CCOC(CC=C)CC=C 7a_100011215198_100015514636 [0,1,1,0,0,0|0,0,2]=4 3020 B10R0.4 C=C(C)COC/C=C/C=C/C 34a_100016283227_100000748629 [0,1,1,0,0,0|0,0,2]=4 3021 B10R0.4 C=C(F)COC/C=C/C=C/C 34a_100016283227_100009893438 [0,1,1,0,0,0|0,0,2]=4 3022 B10R0.71 C/C=C/C=C/COC/C=C/C 34a_100016283227_100102629194 [0,1,1,0,0,0|0,0,2]=4 3023 B10R0.71 C=CCCOC/C=C/C=C/C 34a_100016283227_100000754431 [0,1,1,0,0,0|0,0,2]=4 3024 B10R0.71 CC=CCOC/C=C/C=C/C 34a_100016283227_100000070051 [0,1,1,0,0,0|0,0,2]=4 3025 B10R1.1 C/C=C/c1ccc(cc1)O 271570a_203496583355_100016259036 [1,1,0,0,0,0|0,0,2]=4 3026 B10R1.1 C=C=Cc1ccc(cc1)Br 271570a_100015277604_100000752885 [1,1,0,0,0,0|0,0,2]=4 3027 B10R1.1 C=C=Cc1ccc(cc1)C 271570a_100015277604_100000186775 [1,1,0,0,0,0|0,0,2]=4 3028 B10R1.1 C=C=Cc1ccc(cc1)Cl 271570a_100015277604_100000755918 [1,1,0,0,0,0|0,0,2]=4 3029 B10R1.1 C=C=Cc1ccc(cc1)F 271570a_100015277604_100000211213 [1,1,0,0,0,0|0,0,2]=4 3030 B10R1.1 C=C=Cc1ccc(cc1)N 271570a_100015277604_100000185761 [1,1,0,0,0,0|0,0,2]=4 3031 B10R1.1 C=C=Cc1ccc(cc1)O 271570a_100015277604_100000185759 [1,1,0,0,0,0|0,0,2]=4 3032 B10R1.1 CC=Cc1ccc(cc1)Br 271570a_100016259895_100000752885 [1,1,0,0,0,0|0,0,2]=4 3033 B10R1.1 CC=Cc1ccc(cc1)C 271570a_100016259895_100000186775 [1,1,0,0,0,0|0,0,2]=4 3034 B10R1.1 CC=Cc1ccc(cc1)Cl 271570a_100016259895_100000755918 [1,1,0,0,0,0|0,0,2]=4 3035 B10R1.1 CC=Cc1ccc(cc1)F 271570a_100016259895_100000211213 [1,1,0,0,0,0|0,0,2]=4 3036 B10R1.1 CC=Cc1ccc(cc1)N 271570a_100016259895_100000185761 [1,1,0,0,0,0|0,0,2]=4 3037 B10R1.1 CC=Cc1ccc(cc1)O 271570a_100016259895_100000185759 [1,1,0,0,0,0|0,0,2]=4 3038 B10R1.1 CCCc1ccc(cc1)O 271570a_203496583355_100000750032 [1,1,0,0,0,0|0,0,2]=4 3039 B10R1.1 CCNc1ccc(cc1)Br 2230a_100000210018_100000210202 [1,1,0,0,0,0|1,0,1]=4 3040 B10R1.1 CCNc1ccc(cc1)Br 34a_100000210018_100000210202 [1,1,0,0,0,0|1,0,1]=4 3041 B10R1.1 CCNc1ccc(cc1)C 34a_100000124888_100000210202 [1,1,0,0,0,0|1,0,1]=4 3042 B10R1.1 CCNc1ccc(cc1)Cl 2230a_100000210052_100000210202 [1,1,0,0,0,0|1,0,1]=4 3043 B10R1.1 CCNc1ccc(cc1)Cl 34a_100000210052_100000210202 [1,1,0,0,0,0|1,0,1]=4 3044 B10R1.1 CCNc1ccc(cc1)F 34a_100000185862_100000210202 [1,1,0,0,0,0|1,0,1]=4 3045 B10R1.1 CCNc1ccc(cc1)I 34a_100000185761_100000210202 [1,1,0,0,0,0|1,0,1]=4 3046 B10R1.1 CCNc1ccc(cc1)O 271570a_203496583355_100000219632 [1,1,0,0,0,0|1,0,1]=4 3047 B10R1.1 CCNc1ccc(cc1)O 34a_100000185829_100000210202 [1,1,0,0,0,0|1,0,1]=4 3048 B10R1.1 CCOc1ccc(=O)[nH]c1 34a_100000075641_100000210202 [1,1,0,0,0,0|1,0,1]=4 3049 B10R1.1 CCOc1ccc(cc1)Br 34a_100000185759_100000210202 [1,1,0,0,0,0|0,0,1]=3 3050 B10R1.1 CCOc1ccc(cc1)Br 7a_100000185759_100000210202 [1,1,0,0,0,0|0,0,1]=3 3051 B10R1.1 CCOc1ccc(cc1)C 34a_100000210336_100000210202 [1,1,0,0,0,0|0,0,1]=3 3052 B10R1.1 CCOc1ccc(cc1)C 7a_100000210336_100000210202 [1,1,0,0,0,0|0,0,1]=3 3053 B10R1.1 CCOc1ccc(cc1)Cl 34a_100000210216_100000210202 [1,1,0,0,0,0|0,0,1]=3 3054 B10R1.1 CCOc1ccc(cc1)Cl 7a_100000210216_100000210202 [1,1,0,0,0,0|0,0,1]=3 3055 B10R1.1 CCOc1ccc(cc1)F 34a_100000210339_100000210202 [1,1,0,0,0,0|0,0,1]=3 3056 B10R1.1 CCOc1ccc(cc1)I 34a_100000212066_100000210202 [1,1,0,0,0,0|0,0,1]=3 3057 B10R1.1 CCOc1ccc(cc1)I 7a_100000212066_100000210202 [1,1,0,0,0,0|0,0,1]=3 3058 B10R1.1 CCOc1ccc(cc1)N 34a_100000185829_100000210202 [1,1,0,0,0,0|0,0,1]=3 3059 B10R1.1 CCOc1ccc(cc1)O 271570a_203496583355_100000169946 [1,1,0,0,0,0|0,0,1]=3 3060 B10R1.1 CCOc1ccc(cn1)C 34a_100000759353_100000210202 [1,1,0,0,0,0|1,0,1]=4 3061 B10R1.1 CCOc1ccc(cn1)Cl 34a_100011215309_100000210202 [1,1,0,0,0,0|1,0,1]=4 3062 B10R1.1 CCOc1ccc(cn1)F 34a_100000742473_100000210202 [1,1,0,0,0,0|1,0,1]=4 3063 B10R1.1 CCOc1ccc(cn1)N 34a_100000729260_100000210202 [1,1,0,0,0,0|1,0,1]=4 3064 B10R1.1 CCOc1ccc(cn1)O 271570a_203496583355_100011219444 [1,1,0,0,0,0|1,0,1]=4 3065 B10R1.1 CCOc1ccc(nc1)Br 34a_100000685995_100000210202 [1,1,0,0,0,0|1,0,1]=4 3066 B10R1.1 CCOc1ccc(nc1)Br 7a_100000685995_100000210202 [1,1,0,0,0,0|1,0,1]=4 3067 B10R1.1 CCOc1ccc(nc1)C 34a_100000745506_100000210202 [1,1,0,0,0,0|1,0,1]=4 3068 B10R1.1 CCOc1ccc(nc1)C 7a_100000745506_100000210202 [1,1,0,0,0,0|1,0,1]=4 3069 B10R1.1 CCOc1ccc(nc1)Cl 34a_100000744096_100000210202 [1,1,0,0,0,0|1,0,1]=4 3070 B10R1.1 CCOc1ccc(nc1)Cl 7a_100000744096_100000210202 [1,1,0,0,0,0|1,0,1]=4 3071 B10R1.1 CCOc1ccc(nc1)F 34a_100000688820_100000210202 [1,1,0,0,0,0|1,0,1]=4 3072 B10R1.1 CCOc1ccc(nc1)F 7a_100000688820_100000210202 [1,1,0,0,0,0|1,0,1]=4 3073 B10R1.1 CCOc1ccc(nc1)I 34a_100000687607_100000210202 [1,1,0,0,0,0|1,0,1]=4 3074 B10R1.1 CCOc1ccc(nc1)I 7a_100000687607_100000210202 [1,1,0,0,0,0|1,0,1]=4 3075 B10R1.1 CCOc1ccc(nc1)N 34a_100015188713_100000210202 [1,1,0,0,0,0|1,0,1]=4 3076 B10R1.1 CCOc1ccc(nc1)N 7a_100015188713_100000210202 [1,1,0,0,0,0|1,0,1]=4 3077 B10R1.1 CCOc1ccc(nc1)O 271570a_203496583355_100000753957 [1,1,0,0,0,0|1,0,1]=4 3078 B10R1.1 CCSc1ccc(cc1)Br 62a_100000210202_100000752885 [1,1,0,0,0,0|0,1,1]=4 3079 B10R1.1 CCSc1ccc(cc1)Br 62a_100000752885_100000210202 [1,1,0,0,0,0|0,1,1]=4 3080 B10R1.1 CCSc1ccc(cc1)C 62a_100000186775_100000210202 [1,1,0,0,0,0|0,1,1]=4 3081 B10R1.1 CCSc1ccc(cc1)C 62a_100000210202_100000186775 [1,1,0,0,0,0|0,1,1]=4 3082 B10R1.1 CCSc1ccc(cc1)Cl 62a_100000210202_100000755918 [1,1,0,0,0,0|0,1,1]=4 3083 B10R1.1 CCSc1ccc(cc1)Cl 62a_100000755918_100000210202 [1,1,0,0,0,0|0,1,1]=4 3084 B10R1.1 CCSc1ccc(cc1)F 62a_100000210202_100000211213 [1,1,0,0,0,0|0,1,1]=4 3085 B10R1.1 CCSc1ccc(cc1)F 62a_100000211213_100000210202 [1,1,0,0,0,0|0,1,1]=4 3086 B10R1.1 CCSc1ccc(cc1)N 62a_100000185761_100000210202 [1,1,0,0,0,0|0,1,1]=4 3087 B10R1.1 CCSc1ccc(cc1)N 62a_100000210202_100000185761 [1,1,0,0,0,0|0,1,1]=4 3088 B10R1.1 CCSc1ccc(cc1)O 271570a_203496583355_200009811893 [1,1,0,0,0,0|0,1,1]=4 3089 B10R1.1 CCSc1ccc(cc1)O 62a_100000210202_100000185759 [1,1,0,0,0,0|0,1,1]=4 3090 B10R1.1 CNCc1ccc(cc1)Br 207a_100102657272_100000186029 [1,1,0,0,0,0|1,0,1]=4 3091 B10R1.1 CNCc1ccc(cc1)Br 2230a_100000174875_200000210301 [1,1,0,0,0,0|1,0,1]=4 3092 B10R1.1 CNCc1ccc(cc1)Br 2230a_106832991635_100011217064 [1,1,0,0,0,0|1,0,1]=4 3093 B10R1.1 CNCc1ccc(cc1)Br 26a_100102657272_100000185759 [1,1,0,0,0,0|1,0,1]=4 3094 B10R1.1 CNCc1ccc(cc1)Br 270004a_106832991635_100000186029 [1,1,0,0,0,0|1,0,1]=4 3095 B10R1.1 CNCc1ccc(cc1)Br 34a_100000174875_200000210301 [1,1,0,0,0,0|1,0,1]=4 3096 B10R1.1 CNCc1ccc(cc1)Br 34a_100102657272_100000189115 [1,1,0,0,0,0|1,0,1]=4 3097 B10R1.1 CNCc1ccc(cc1)Br 7a_106832991635_100011217064 [1,1,0,0,0,0|1,0,1]=4 3098 B10R1.1 CNCc1ccc(cc1)C 207a_100102657272_100000211033 [1,1,0,0,0,0|1,0,1]=4 3099 B10R1.1 CNCc1ccc(cc1)C 2230a_100000174908_200000210301 [1,1,0,0,0,0|1,0,1]=4 3100 B10R1.1 CNCc1ccc(cc1)C 2230a_106832991635_100000210814 [1,1,0,0,0,0|1,0,1]=4 3101 B10R1.1 CNCc1ccc(cc1)C 26a_100102657272_200020625495 [1,1,0,0,0,0|1,0,1]=4 3102 B10R1.1 CNCc1ccc(cc1)C 270004a_106832991635_100000211033 [1,1,0,0,0,0|1,0,1]=4 3103 B10R1.1 CNCc1ccc(cc1)C 34a_100000174908_200000210301 [1,1,0,0,0,0|1,0,1]=4 3104 B10R1.1 CNCc1ccc(cc1)C 34a_100102657272_100000210814 [1,1,0,0,0,0|1,0,1]=4 3105 B10R1.1 CNCc1ccc(cc1)C 7a_106832991635_100000210814 [1,1,0,0,0,0|1,0,1]=4 3106 B10R1.1 CNCc1ccc(cc1)Cl 207a_100102657272_100000189385 [1,1,0,0,0,0|1,0,1]=4 3107 B10R1.1 CNCc1ccc(cc1)Cl 2230a_100000174871_200000210301 [1,1,0,0,0,0|1,0,1]=4 3108 B10R1.1 CNCc1ccc(cc1)Cl 2230a_106832991635_100000694040 [1,1,0,0,0,0|1,0,1]=4 3109 B10R1.1 CNCc1ccc(cc1)Cl 270004a_106832991635_100000189385 [1,1,0,0,0,0|1,0,1]=4 3110 B10R1.1 CNCc1ccc(cc1)Cl 34a_100000174871_200000210301 [1,1,0,0,0,0|1,0,1]=4 3111 B10R1.1 CNCc1ccc(cc1)Cl 34a_100102657272_100000694040 [1,1,0,0,0,0|1,0,1]=4 3112 B10R1.1 CNCc1ccc(cc1)Cl 7a_106832991635_100000187161 [1,1,0,0,0,0|1,0,1]=4 3113 B10R1.1 CNCc1ccc(cc1)F 207a_100102657272_100000210084 [1,1,0,0,0,0|1,0,1]=4 3114 B10R1.1 CNCc1ccc(cc1)F 2230a_100000174882_200000210301 [1,1,0,0,0,0|1,0,1]=4 3115 B10R1.1 CNCc1ccc(cc1)F 2230a_106832991635_100000198546 [1,1,0,0,0,0|1,0,1]=4 3116 B10R1.1 CNCc1ccc(cc1)F 270004a_106832991635_100000210084 [1,1,0,0,0,0|1,0,1]=4 3117 B10R1.1 CNCc1ccc(cc1)F 34a_100000174882_200000210301 [1,1,0,0,0,0|1,0,1]=4 3118 B10R1.1 CNCc1ccc(cc1)F 34a_100102657272_100000198546 [1,1,0,0,0,0|1,0,1]=4 3119 B10R1.1 CNCc1ccc(cc1)F 7a_106832991635_100000198546 [1,1,0,0,0,0|1,0,1]=4 3120 B10R1.1 CNCc1ccc(cc1)I 207a_100102657272_100000188517 [1,1,0,0,0,0|1,0,1]=4 3121 B10R1.1 CNCc1ccc(cc1)I 2230a_100016989417_200000210301 [1,1,0,0,0,0|1,0,1]=4 3122 B10R1.1 CNCc1ccc(cc1)I 2230a_106832991635_100000189116 [1,1,0,0,0,0|1,0,1]=4 3123 B10R1.1 CNCc1ccc(cc1)I 34a_100016989417_200000210301 [1,1,0,0,0,0|1,0,1]=4 3124 B10R1.1 CNCc1ccc(cc1)I 34a_100102657272_100000189116 [1,1,0,0,0,0|1,0,1]=4 3125 B10R1.1 CNCc1ccc(cc1)I 7a_106832991635_100000189116 [1,1,0,0,0,0|1,0,1]=4 3126 B10R1.1 CNCc1ccc(cc1)O 271570a_203496583355_100000180866 [1,1,0,0,0,0|1,0,1]=4 3127 B10R1.1 CNCc1ccc(cc1)O 34a_100000185549_200000210301 [1,1,0,0,0,0|1,0,1]=4 3128 B10R1.1 COCc1ccc(cc1)Br 34a_100000695286_200000210301 [1,1,0,0,0,0|1,0,1]=4 3129 B10R1.1 COCc1ccc(cc1)Br 34a_100138415774_100000189115 [1,1,0,0,0,0|1,0,1]=4 3130 B10R1.1 COCc1ccc(cc1)C 34a_100011215236_200000210301 [1,1,0,0,0,0|1,0,1]=4 3131 B10R1.1 COCc1ccc(cc1)C 34a_100138415774_100000210814 [1,1,0,0,0,0|1,0,1]=4 3132 B10R1.1 COCc1ccc(cc1)C 7a_100011215236_200000210301 [1,1,0,0,0,0|1,0,1]=4 3133 B10R1.1 COCc1ccc(cc1)Cl 34a_100000211118_200000210301 [1,1,0,0,0,0|1,0,1]=4 3134 B10R1.1 COCc1ccc(cc1)Cl 34a_100138415774_100000694040 [1,1,0,0,0,0|1,0,1]=4 3135 B10R1.1 COCc1ccc(cc1)Cl 7a_100000211118_200000210301 [1,1,0,0,0,0|1,0,1]=4 3136 B10R1.1 COCc1ccc(cc1)F 34a_100000210977_200000210301 [1,1,0,0,0,0|1,0,1]=4 3137 B10R1.1 COCc1ccc(cc1)F 34a_100138415774_100000198546 [1,1,0,0,0,0|1,0,1]=4 3138 B10R1.1 COCc1ccc(cc1)F 7a_100000210977_200000210301 [1,1,0,0,0,0|1,0,1]=4 3139 B10R1.1 COCc1ccc(cc1)I 34a_100000690907_200000210301 [1,1,0,0,0,0|1,0,1]=4 3140 B10R1.1 COCc1ccc(cc1)I 34a_100138415774_100000189116 [1,1,0,0,0,0|1,0,1]=4 3141 B10R1.1 COCc1ccc(cc1)I 7a_100000690907_200000210301 [1,1,0,0,0,0|1,0,1]=4 3142 B10R1.1 COCc1ccc(cc1)N 34a_100011215238_200000210301 [1,1,0,0,0,0|1,0,1]=4 3143 B10R1.1 COCc1ccc(cc1)O 271570a_203496583355_100011493685 [1,1,0,0,0,0|1,0,1]=4 3144 B10R1.1 CSCc1ccc(cc1)Br 62a_100000189115_200000210301 [1,1,0,0,0,0|1,0,1]=4 3145 B10R1.1 CSCc1ccc(cc1)Br 62a_200000210301_100000189115 [1,1,0,0,0,0|1,0,1]=4 3146 B10R1.1 CSCc1ccc(cc1)C 62a_100000210814_200000210301 [1,1,0,0,0,0|1,0,1]=4 3147 B10R1.1 CSCc1ccc(cc1)C 62a_200000210301_100000210814 [1,1,0,0,0,0|1,0,1]=4 3148 B10R1.1 CSCc1ccc(cc1)Cl 62a_100000187161_200000210301 [1,1,0,0,0,0|1,0,1]=4 3149 B10R1.1 CSCc1ccc(cc1)Cl 62a_200000210301_100000187161 [1,1,0,0,0,0|1,0,1]=4 3150 B10R1.1 CSCc1ccc(cc1)F 62a_100000198546_200000210301 [1,1,0,0,0,0|1,0,1]=4 3151 B10R1.1 CSCc1ccc(cc1)F 62a_200000210301_100000187164 [1,1,0,0,0,0|1,0,1]=4 3152 B10R1.1 CSCc1ccc(cc1)I 62a_100000189116_200000210301 [1,1,0,0,0,0|1,0,1]=4 3153 B10R1.1 CSCc1ccc(cc1)I 62a_200000210301_100000189116 [1,1,0,0,0,0|1,0,1]=4 3154 B10R1.1 Cc1ccc(cc1)CN[13CH3] 2230a_100000174908_200025704644 [1,1,0,0,0,0|1,0,1]=4 3155 B10R1.1 Cc1ccc(cc1)CN[13CH3] 34a_100000174908_200025704644 [1,1,0,0,0,0|1,0,1]=4 3156 B10R1.1 Cc1ccc(cc1)CO[13CH3] 34a_100011215236_200025704644 [1,1,0,0,0,0|1,0,1]=4 3157 B10R1.1 Cc1ccc(cc1)CO[13CH3] 7a_100011215236_200025704644 [1,1,0,0,0,0|1,0,1]=4 3158 B10R1.1 Cc1ccc(cc1)CS[13CH3] 62a_100000210814_200025704644 [1,1,0,0,0,0|1,0,1]=4 3159 B10R1.1 Cc1ccc(cc1)CS[13CH3] 62a_200025704644_100000210814 [1,1,0,0,0,0|1,0,1]=4 3160 B10R1.1 Cc1ccc(cc1)NCF 34a_100000124888_100015361967 [1,1,0,0,0,0|2,0,0]=4 3161 B10R1.1 Cc1ccc(cc1)OCF 34a_100000210336_100015361967 [1,1,0,0,0,0|1,0,0]=3 3162 B10R1.1 Cc1ccc(cc1)OCF 7a_100000210336_100015361967 [1,1,0,0,0,0|1,0,0]=3 3163 B10R1.1 Cc1ccc(cc1)SCF 62a_100000186775_100015361967 [1,1,0,0,0,0|1,1,0]=4 3164 B10R1.1 Cc1ccc(cc1)SCF 62a_100015361967_100000186775 [1,1,0,0,0,0|1,1,0]=4 3165 B10R1.1 Cc1ccc(cn1)OCF 34a_100000745506_100015361967 [1,1,0,0,0,0|2,0,0]=4 3166 B10R1.1 Cc1ccc(cn1)OCF 7a_100000745506_100015361967 [1,1,0,0,0,0|2,0,0]=4 3167 B10R1.1 Cc1ccc(nc1)OCF 34a_100000759353_100015361967 [1,1,0,0,0,0|2,0,0]=4 3168 B10R1.1 FCNc1ccc(cc1)Br 34a_100000210018_100015361967 [1,1,0,0,0,0|2,0,0]=4 3169 B10R1.1 FCNc1ccc(cc1)Cl 34a_100000210052_100015361967 [1,1,0,0,0,0|2,0,0]=4 3170 B10R1.1 FCNc1ccc(cc1)F 34a_100000185862_100015361967 [1,1,0,0,0,0|2,0,0]=4 3171 B10R1.1 FCNc1ccc(cc1)I 34a_100000185761_100015361967 [1,1,0,0,0,0|2,0,0]=4 3172 B10R1.1 FCOc1ccc(cc1)Br 34a_100000185759_100015361967 [1,1,0,0,0,0|1,0,0]=3 3173 B10R1.1 FCOc1ccc(cc1)Br 7a_100000185759_100015361967 [1,1,0,0,0,0|1,0,0]=3 3174 B10R1.1 FCOc1ccc(cc1)Cl 34a_100000210216_100015361967 [1,1,0,0,0,0|1,0,0]=3 3175 B10R1.1 FCOc1ccc(cc1)Cl 7a_100000210216_100015361967 [1,1,0,0,0,0|1,0,0]=3 3176 B10R1.1 FCOc1ccc(cc1)F 34a_100000210339_100015361967 [1,1,0,0,0,0|1,0,0]=3 3177 B10R1.1 FCOc1ccc(cc1)I 34a_100000212066_100015361967 [1,1,0,0,0,0|1,0,0]=3 3178 B10R1.1 FCOc1ccc(cc1)I 7a_100000212066_100015361967 [1,1,0,0,0,0|1,0,0]=3 3179 B10R1.1 FCOc1ccc(cn1)Cl 34a_100011215309_100015361967 [1,1,0,0,0,0|2,0,0]=4 3180 B10R1.1 FCOc1ccc(cn1)F 34a_100000742473_100015361967 [1,1,0,0,0,0|2,0,0]=4 3181 B10R1.1 FCOc1ccc(nc1)Br 34a_100000685995_100015361967 [1,1,0,0,0,0|2,0,0]=4 3182 B10R1.1 FCOc1ccc(nc1)Br 7a_100000685995_100015361967 [1,1,0,0,0,0|2,0,0]=4 3183 B10R1.1 FCOc1ccc(nc1)Cl 34a_100000744096_100015361967 [1,1,0,0,0,0|2,0,0]=4 3184 B10R1.1 FCOc1ccc(nc1)Cl 7a_100000744096_100015361967 [1,1,0,0,0,0|2,0,0]=4 3185 B10R1.1 FCOc1ccc(nc1)F 34a_100000688820_100015361967 [1,1,0,0,0,0|2,0,0]=4 3186 B10R1.1 FCOc1ccc(nc1)F 7a_100000688820_100015361967 [1,1,0,0,0,0|2,0,0]=4 3187 B10R1.1 FCOc1ccc(nc1)I 34a_100000687607_100015361967 [1,1,0,0,0,0|2,0,0]=4 3188 B10R1.1 FCOc1ccc(nc1)I 7a_100000687607_100015361967 [1,1,0,0,0,0|2,0,0]=4 3189 B10R1.1 FCSc1ccc(cc1)Br 62a_100000752885_100015361967 [1,1,0,0,0,0|1,1,0]=4 3190 B10R1.1 FCSc1ccc(cc1)Br 62a_100015361967_100000752885 [1,1,0,0,0,0|1,1,0]=4 3191 B10R1.1 FCSc1ccc(cc1)Cl 62a_100000755918_100015361967 [1,1,0,0,0,0|1,1,0]=4 3192 B10R1.1 FCSc1ccc(cc1)Cl 62a_100015361967_100000755918 [1,1,0,0,0,0|1,1,0]=4 3193 B10R1.1 FCSc1ccc(cc1)F 62a_100000211213_100015361967 [1,1,0,0,0,0|1,1,0]=4 3194 B10R1.1 FCSc1ccc(cc1)F 62a_100015361967_100000211213 [1,1,0,0,0,0|1,1,0]=4 3195 B10R1.1 N#CCc1ccc(cc1)O 271570a_203496583355_100011217881 [1,1,0,0,0,0|1,0,1]=4 3196 B10R1.1 NCCc1ccc(cc1)O 271570a_203496583355_100000755846 [1,1,0,0,0,0|1,0,1]=4 3197 B10R1.1 NNCc1ccc(cc1)O 271570a_203496583355_100016993955 [1,1,0,0,0,0|2,0,0]=4 3198 B10R1.1 Nc1ccc(cc1)OCF 34a_100000185829_100015361967 [1,1,0,0,0,0|1,0,0]=3 3199 B10R1.1 Nc1ccc(cc1)SCF 62a_100000185761_100015361967 [1,1,0,0,0,0|1,1,0]=4 3200 B10R1.1 Nc1ccc(cc1)SCF 62a_100015361967_100000185761 [1,1,0,0,0,0|1,1,0]=4 3201 B10R1.1 Nc1ccc(cn1)OCF 34a_100015188713_100015361967 [1,1,0,0,0,0|2,0,0]=4 3202 B10R1.1 Nc1ccc(cn1)OCF 7a_100015188713_100015361967 [1,1,0,0,0,0|2,0,0]=4 3203 B10R1.1 Nc1ccc(nc1)OCF 34a_100000729260_100015361967 [1,1,0,0,0,0|2,0,0]=4 3204 B10R1.1 O=CCc1ccc(cc1)O 271570a_203496583355_100011361690 [1,1,0,0,0,0|1,0,0]=3 3205 B10R1.1 O=c1ccc(c[nH]1)OCF 34a_100000075641_100015361967 [1,1,0,0,0,0|2,0,0]=4 3206 B10R1.1 OCCc1ccc(cc1)O 271570a_203496583355_100000766406 [1,1,0,0,0,0|1,0,1]=4 3207 B10R1.1 Oc1ccc(cc1)/C=C/Br 271570a_203496583355_200016255901 [1,1,0,0,0,0|1,0,1]=4 3208 B10R1.1 Oc1ccc(cc1)NCF 34a_100000185829_100015361967 [1,1,0,0,0,0|2,0,0]=4 3209 B10R1.1 Oc1ccc(cc1)SCF 62a_100015361967_100000185759 [1,1,0,0,0,0|1,1,0]=4 3210 B10R1.1 [13CH3]NCc1ccc(cc1)Br 2230a_100000174875_200025704644 [1,1,0,0,0,0|1,0,1]=4 3211 B10R1.1 [13CH3]NCc1ccc(cc1)Br 34a_100000174875_200025704644 [1,1,0,0,0,0|1,0,1]=4 3212 B10R1.1 [13CH3]NCc1ccc(cc1)Cl 2230a_100000174871_200025704644 [1,1,0,0,0,0|1,0,1]=4 3213 B10R1.1 [13CH3]NCc1ccc(cc1)Cl 34a_100000174871_200025704644 [1,1,0,0,0,0|1,0,1]=4 3214 B10R1.1 [13CH3]NCc1ccc(cc1)F 2230a_100000174882_200025704644 [1,1,0,0,0,0|1,0,1]=4 3215 B10R1.1 [13CH3]NCc1ccc(cc1)F 34a_100000174882_200025704644 [1,1,0,0,0,0|1,0,1]=4 3216 B10R1.1 [13CH3]NCc1ccc(cc1)I 2230a_100016989417_200025704644 [1,1,0,0,0,0|1,0,1]=4 3217 B10R1.1 [13CH3]NCc1ccc(cc1)I 34a_100016989417_200025704644 [1,1,0,0,0,0|1,0,1]=4 3218 B10R1.1 [13CH3]NCc1ccc(cc1)O 34a_100000185549_200025704644 [1,1,0,0,0,0|1,0,1]=4 3219 B10R1.1 [13CH3]OCc1ccc(cc1)Br 34a_100000695286_200025704644 [1,1,0,0,0,0|1,0,1]=4 3220 B10R1.1 [13CH3]OCc1ccc(cc1)Cl 34a_100000211118_200025704644 [1,1,0,0,0,0|1,0,1]=4 3221 B10R1.1 [13CH3]OCc1ccc(cc1)Cl 7a_100000211118_200025704644 [1,1,0,0,0,0|1,0,1]=4 3222 B10R1.1 [13CH3]OCc1ccc(cc1)F 34a_100000210977_200025704644 [1,1,0,0,0,0|1,0,1]=4 3223 B10R1.1 [13CH3]OCc1ccc(cc1)F 7a_100000210977_200025704644 [1,1,0,0,0,0|1,0,1]=4 3224 B10R1.1 [13CH3]OCc1ccc(cc1)I 34a_100000690907_200025704644 [1,1,0,0,0,0|1,0,1]=4 3225 B10R1.1 [13CH3]OCc1ccc(cc1)I 7a_100000690907_200025704644 [1,1,0,0,0,0|1,0,1]=4 3226 B10R1.1 [13CH3]OCc1ccc(cc1)N 34a_100011215238_200025704644 [1,1,0,0,0,0|1,0,1]=4 3227 B10R1.1 [13CH3]SCc1ccc(cc1)Br 62a_100000189115_200025704644 [1,1,0,0,0,0|1,0,1]=4 3228 B10R1.1 [13CH3]SCc1ccc(cc1)Br 62a_200025704644_100000189115 [1,1,0,0,0,0|1,0,1]=4 3229 B10R1.1 [13CH3]SCc1ccc(cc1)Cl 62a_100000187161_200025704644 [1,1,0,0,0,0|1,0,1]=4 3230 B10R1.1 [13CH3]SCc1ccc(cc1)Cl 62a_200025704644_100000187161 [1,1,0,0,0,0|1,0,1]=4 3231 B10R1.1 [13CH3]SCc1ccc(cc1)F 62a_100000198546_200025704644 [1,1,0,0,0,0|1,0,1]=4 3232 B10R1.1 [13CH3]SCc1ccc(cc1)F 62a_200025704644_100000187164 [1,1,0,0,0,0|1,0,1]=4 3233 B10R1.1 [13CH3]SCc1ccc(cc1)I 62a_100000189116_200025704644 [1,1,0,0,0,0|1,0,1]=4 3234 B10R1.1 [13CH3]SCc1ccc(cc1)I 62a_200025704644_100000189116 [1,1,0,0,0,0|1,0,1]=4 3235 B10R1.4 C=C=Cc1ccccc1Br 271570a_100015277604_100000695589 [1,1,0,0,0,0|0,0,2]=4 3236 B10R1.4 C=C=Cc1ccccc1C 271570a_100015277604_100000210755 [1,1,0,0,0,0|0,0,2]=4 3237 B10R1.4 C=C=Cc1ccccc1Cl 271570a_100015277604_100000764095 [1,1,0,0,0,0|0,0,2]=4 3238 B10R1.4 C=C=Cc1ccccc1F 271570a_100015277604_100011215700 [1,1,0,0,0,0|0,0,2]=4 3239 B10R1.4 C=C=Cc1ccccc1N 271570a_100015277604_100000210017 [1,1,0,0,0,0|0,0,2]=4 3240 B10R1.4 C=C=Cc1ccccc1O 271570a_100015277604_100000739446 [1,1,0,0,0,0|0,0,2]=4 3241 B10R1.4 C=CCc1ccccc1O 271570a_203496583355_100009828059 [1,1,0,0,0,0|0,0,0]=2 3242 B10R1.4 CC=Cc1ccccc1Br 271570a_100016259895_100000695589 [1,1,0,0,0,0|0,0,2]=4 3243 B10R1.4 CC=Cc1ccccc1C 271570a_100016259895_100000210755 [1,1,0,0,0,0|0,0,2]=4 3244 B10R1.4 CC=Cc1ccccc1Cl 271570a_100016259895_100000764095 [1,1,0,0,0,0|0,0,2]=4 3245 B10R1.4 CC=Cc1ccccc1F 271570a_100016259895_100011215700 [1,1,0,0,0,0|0,0,2]=4 3246 B10R1.4 CC=Cc1ccccc1N 271570a_100016259895_100000210017 [1,1,0,0,0,0|0,0,2]=4 3247 B10R1.4 CC=Cc1ccccc1O 271570a_100016259895_100000739446 [1,1,0,0,0,0|0,0,2]=4 3248 B10R1.4 CCNc1ccccc1Br 34a_100000210017_100000210202 [1,1,0,0,0,0|1,0,1]=4 3249 B10R1.4 CCNc1ccccc1C 34a_100015192222_100000210202 [1,1,0,0,0,0|1,0,1]=4 3250 B10R1.4 CCNc1ccccc1Cl 34a_100000185783_100000210202 [1,1,0,0,0,0|1,0,1]=4 3251 B10R1.4 CCNc1ccccc1F 34a_100000210422_100000210202 [1,1,0,0,0,0|1,0,1]=4 3252 B10R1.4 CCNc1ccccc1I 34a_100000210053_100000210202 [1,1,0,0,0,0|1,0,1]=4 3253 B10R1.4 CCNc1ccccc1O 271570a_203496583355_114873767003 [1,1,0,0,0,0|1,0,1]=4 3254 B10R1.4 CCNc1ccccc1O 34a_100000185747_100000210202 [1,1,0,0,0,0|1,0,1]=4 3255 B10R1.4 CCOc1cccc[n+]1[O-] 7a_100000211761_100000210202 [1,1,0,0,0,0|1,0,1]=4 3256 B10R1.4 CCOc1ccccc1Br 34a_100000181306_100000210202 [1,1,0,0,0,0|0,0,1]=3 3257 B10R1.4 CCOc1ccccc1Br 7a_100000181306_100000210202 [1,1,0,0,0,0|0,0,1]=3 3258 B10R1.4 CCOc1ccccc1C 34a_100000210338_100000210202 [1,1,0,0,0,0|0,0,1]=3 3259 B10R1.4 CCOc1ccccc1C 7a_100000210338_100000210202 [1,1,0,0,0,0|0,0,1]=3 3260 B10R1.4 CCOc1ccccc1Cl 34a_100000210172_100000210202 [1,1,0,0,0,0|0,0,1]=3 3261 B10R1.4 CCOc1ccccc1Cl 7a_100000210172_100000210202 [1,1,0,0,0,0|0,0,1]=3 3262 B10R1.4 CCOc1ccccc1F 34a_100000210171_100000210202 [1,1,0,0,0,0|0,0,1]=3 3263 B10R1.4 CCOc1ccccc1F 7a_100000210171_100000210202 [1,1,0,0,0,0|0,0,1]=3 3264 B10R1.4 CCOc1ccccc1I 34a_100000739446_100000210202 [1,1,0,0,0,0|0,0,1]=3 3265 B10R1.4 CCOc1ccccc1I 7a_100000739446_100000210202 [1,1,0,0,0,0|0,0,1]=3 3266 B10R1.4 CCOc1ccccc1N 34a_100000185747_100000210202 [1,1,0,0,0,0|0,0,1]=3 3267 B10R1.4 CCOc1ccccc1N 7a_100000185747_100000210202 [1,1,0,0,0,0|0,0,1]=3 3268 B10R1.4 CCOc1ccccc1O 271570a_203496583355_100000230754 [1,1,0,0,0,0|0,0,1]=3 3269 B10R1.4 CCOc1cccnc1Br 34a_100000744436_100000210202 [1,1,0,0,0,0|1,0,1]=4 3270 B10R1.4 CCOc1cccnc1Br 7a_100000744436_100000210202 [1,1,0,0,0,0|1,0,1]=4 3271 B10R1.4 CCOc1cccnc1C 34a_100000745507_100000210202 [1,1,0,0,0,0|1,0,1]=4 3272 B10R1.4 CCOc1cccnc1C 7a_100000745507_100000210202 [1,1,0,0,0,0|1,0,1]=4 3273 B10R1.4 CCOc1cccnc1Cl 34a_100000757616_100000210202 [1,1,0,0,0,0|1,0,1]=4 3274 B10R1.4 CCOc1cccnc1Cl 7a_100000757616_100000210202 [1,1,0,0,0,0|1,0,1]=4 3275 B10R1.4 CCOc1cccnc1F 34a_100000061740_100000210202 [1,1,0,0,0,0|1,0,1]=4 3276 B10R1.4 CCOc1cccnc1F 7a_100000061740_100000210202 [1,1,0,0,0,0|1,0,1]=4 3277 B10R1.4 CCOc1cccnc1I 34a_100000034122_100000210202 [1,1,0,0,0,0|1,0,1]=4 3278 B10R1.4 CCOc1cccnc1I 7a_100000034122_100000210202 [1,1,0,0,0,0|1,0,1]=4 3279 B10R1.4 CCOc1cccnc1N 34a_100000211975_100000210202 [1,1,0,0,0,0|1,0,1]=4 3280 B10R1.4 CCOc1cccnc1N 7a_100000211975_100000210202 [1,1,0,0,0,0|1,0,1]=4 3281 B10R1.4 CCOc1cccnc1O 271570a_203496583355_100011597540 [1,1,0,0,0,0|1,0,1]=4 3282 B10R1.4 CCOc1cccoc1=O 34a_100000077404_100000210202 [1,1,0,0,0,0|1,0,1]=4 3283 B10R1.4 CCOc1cccoc1=O 7a_100000077404_100000210202 [1,1,0,0,0,0|1,0,1]=4 3284 B10R1.4 CCOc1ccncc1Br 34a_100011996408_100000210202 [1,1,0,0,0,0|1,0,1]=4 3285 B10R1.4 CCOc1ccncc1C 34a_100000694293_100000210202 [1,1,0,0,0,0|1,0,1]=4 3286 B10R1.4 CCOc1ccncc1Cl 34a_100011997054_100000210202 [1,1,0,0,0,0|1,0,1]=4 3287 B10R1.4 CCOc1ccncc1F 34a_200000081243_100000210202 [1,1,0,0,0,0|1,0,1]=4 3288 B10R1.4 CCOc1cnccc1C 34a_100011997053_100000210202 [1,1,0,0,0,0|1,0,1]=4 3289 B10R1.4 CCOc1cnccc1C 7a_100011997053_100000210202 [1,1,0,0,0,0|1,0,1]=4 3290 B10R1.4 CCOc1cnccc1Cl 34a_100011996695_100000210202 [1,1,0,0,0,0|1,0,1]=4 3291 B10R1.4 CCOc1cnccc1I 34a_100000050107_100000210202 [1,1,0,0,0,0|1,0,1]=4 3292 B10R1.4 CCOc1cnccc1N 34a_100000753702_100000210202 [1,1,0,0,0,0|1,0,1]=4 3293 B10R1.4 CCOc1coccc1=O 34a_100000060831_100000210202 [1,1,0,0,0,0|1,0,1]=4 3294 B10R1.4 CCOc1ncccc1Cl 34a_100011290957_100000210202 [1,1,0,0,0,0|1,0,1]=4 3295 B10R1.4 CCOc1ncccc1F 34a_100011219419_100000210202 [1,1,0,0,0,0|1,0,1]=4 3296 B10R1.4 CCOc1ncccc1N 34a_100000746358_100000210202 [1,1,0,0,0,0|1,0,1]=4 3297 B10R1.4 CCOc1ncccc1O 271570a_203496583355_100011465154 [1,1,0,0,0,0|1,0,1]=4 3298 B10R1.4 CCSc1ccccc1Br 62a_100000210202_100000695589 [1,1,0,0,0,0|0,1,1]=4 3299 B10R1.4 CCSc1ccccc1Br 62a_100000695589_100000210202 [1,1,0,0,0,0|0,1,1]=4 3300 B10R1.4 CCSc1ccccc1C 62a_100000210202_100000210755 [1,1,0,0,0,0|0,1,1]=4 3301 B10R1.4 CCSc1ccccc1C 62a_100000210755_100000210202 [1,1,0,0,0,0|0,1,1]=4 3302 B10R1.4 CCSc1ccccc1Cl 62a_100000210202_100000764095 [1,1,0,0,0,0|0,1,1]=4 3303 B10R1.4 CCSc1ccccc1Cl 62a_100000764095_100000210202 [1,1,0,0,0,0|0,1,1]=4 3304 B10R1.4 CCSc1ccccc1F 62a_100000210202_100011215700 [1,1,0,0,0,0|0,1,1]=4 3305 B10R1.4 CCSc1ccccc1F 62a_100011215700_100000210202 [1,1,0,0,0,0|0,1,1]=4 3306 B10R1.4 CCSc1ccccc1N 62a_100000210017_100000210202 [1,1,0,0,0,0|0,1,1]=4 3307 B10R1.4 CCSc1ccccc1N 62a_100000210202_100000210017 [1,1,0,0,0,0|0,1,1]=4 3308 B10R1.4 CCSc1ccccc1O 271570a_203496583355_100000230856 [1,1,0,0,0,0|0,1,1]=4 3309 B10R1.4 CCSc1ccccc1O 62a_100000210202_100000739446 [1,1,0,0,0,0|0,1,1]=4 3310 B10R1.4 CCSc1ccccc1O 62a_100000739446_100000210202 [1,1,0,0,0,0|0,1,1]=4 3311 B10R1.4 CNCc1ccccc1Br 207a_100102657272_100000211189 [1,1,0,0,0,0|1,0,1]=4 3312 B10R1.4 CNCc1ccccc1Br 2230a_100000689332_200000210301 [1,1,0,0,0,0|1,0,1]=4 3313 B10R1.4 CNCc1ccccc1Br 2230a_106832991635_100000184730 [1,1,0,0,0,0|1,0,1]=4 3314 B10R1.4 CNCc1ccccc1Br 26a_100102657272_100000181306 [1,1,0,0,0,0|1,0,1]=4 3315 B10R1.4 CNCc1ccccc1Br 270004a_106832991635_100000211189 [1,1,0,0,0,0|1,0,1]=4 3316 B10R1.4 CNCc1ccccc1Br 34a_100000689332_200000210301 [1,1,0,0,0,0|1,0,1]=4 3317 B10R1.4 CNCc1ccccc1Br 34a_100102657272_100000184730 [1,1,0,0,0,0|1,0,1]=4 3318 B10R1.4 CNCc1ccccc1Br 7a_106832991635_100000184730 [1,1,0,0,0,0|1,0,1]=4 3319 B10R1.4 CNCc1ccccc1C 207a_100102657272_100000211143 [1,1,0,0,0,0|1,0,1]=4 3320 B10R1.4 CNCc1ccccc1C 2230a_106832991635_100000211839 [1,1,0,0,0,0|1,0,1]=4 3321 B10R1.4 CNCc1ccccc1C 270004a_106832991635_100000211143 [1,1,0,0,0,0|1,0,1]=4 3322 B10R1.4 CNCc1ccccc1C 34a_100000174972_200000210301 [1,1,0,0,0,0|1,0,1]=4 3323 B10R1.4 CNCc1ccccc1C 34a_100102657272_100000211839 [1,1,0,0,0,0|1,0,1]=4 3324 B10R1.4 CNCc1ccccc1C 7a_106832991635_100000211839 [1,1,0,0,0,0|1,0,1]=4 3325 B10R1.4 CNCc1ccccc1Cl 207a_100102657272_100000210073 [1,1,0,0,0,0|1,0,1]=4 3326 B10R1.4 CNCc1ccccc1Cl 2230a_100000174879_200000210301 [1,1,0,0,0,0|1,0,1]=4 3327 B10R1.4 CNCc1ccccc1Cl 2230a_106832991635_100000187162 [1,1,0,0,0,0|1,0,1]=4 3328 B10R1.4 CNCc1ccccc1Cl 26a_100102657272_100000210172 [1,1,0,0,0,0|1,0,1]=4 3329 B10R1.4 CNCc1ccccc1Cl 270004a_106832991635_100000210073 [1,1,0,0,0,0|1,0,1]=4 3330 B10R1.4 CNCc1ccccc1Cl 34a_100000174879_200000210301 [1,1,0,0,0,0|1,0,1]=4 3331 B10R1.4 CNCc1ccccc1Cl 34a_100102657272_100000187162 [1,1,0,0,0,0|1,0,1]=4 3332 B10R1.4 CNCc1ccccc1Cl 7a_106832991635_100000187162 [1,1,0,0,0,0|1,0,1]=4 3333 B10R1.4 CNCc1ccccc1F 207a_100102657272_100000210811 [1,1,0,0,0,0|1,0,1]=4 3334 B10R1.4 CNCc1ccccc1F 2230a_106832991635_100000211605 [1,1,0,0,0,0|1,0,1]=4 3335 B10R1.4 CNCc1ccccc1F 270004a_106832991635_100000210811 [1,1,0,0,0,0|1,0,1]=4 3336 B10R1.4 CNCc1ccccc1F 34a_100000174869_200000210301 [1,1,0,0,0,0|1,0,1]=4 3337 B10R1.4 CNCc1ccccc1F 34a_100102657272_100000211605 [1,1,0,0,0,0|1,0,1]=4 3338 B10R1.4 CNCc1ccccc1F 7a_106832991635_100000211605 [1,1,0,0,0,0|1,0,1]=4 3339 B10R1.4 CNCc1ccccc1I 207a_100102657272_100000010305 [1,1,0,0,0,0|1,0,1]=4 3340 B10R1.4 CNCc1ccccc1I 2230a_106832991635_100011215278 [1,1,0,0,0,0|1,0,1]=4 3341 B10R1.4 CNCc1ccccc1I 270004a_106832991635_100000010305 [1,1,0,0,0,0|1,0,1]=4 3342 B10R1.4 CNCc1ccccc1I 34a_100102657272_100011215278 [1,1,0,0,0,0|1,0,1]=4 3343 B10R1.4 CNCc1ccccc1I 7a_106832991635_100011215278 [1,1,0,0,0,0|1,0,1]=4 3344 B10R1.4 CNCc1ccccc1O 271570a_203496583355_100000184654 [1,1,0,0,0,0|1,0,1]=4 3345 B10R1.4 CNCc1ccccc1O 34a_100000185550_200000210301 [1,1,0,0,0,0|1,0,1]=4 3346 B10R1.4 COCc1ccccc1Br 34a_100000756307_200000210301 [1,1,0,0,0,0|1,0,1]=4 3347 B10R1.4 COCc1ccccc1Br 34a_100138415774_100000184730 [1,1,0,0,0,0|1,0,1]=4 3348 B10R1.4 COCc1ccccc1Br 7a_100000756307_200000210301 [1,1,0,0,0,0|1,0,1]=4 3349 B10R1.4 COCc1ccccc1C 34a_100000698903_200000210301 [1,1,0,0,0,0|1,0,1]=4 3350 B10R1.4 COCc1ccccc1C 34a_100138415774_100000211839 [1,1,0,0,0,0|1,0,1]=4 3351 B10R1.4 COCc1ccccc1C 7a_100000698903_200000210301 [1,1,0,0,0,0|1,0,1]=4 3352 B10R1.4 COCc1ccccc1Cl 34a_100000210847_200000210301 [1,1,0,0,0,0|1,0,1]=4 3353 B10R1.4 COCc1ccccc1Cl 34a_100138415774_100000187162 [1,1,0,0,0,0|1,0,1]=4 3354 B10R1.4 COCc1ccccc1Cl 7a_100000210847_200000210301 [1,1,0,0,0,0|1,0,1]=4 3355 B10R1.4 COCc1ccccc1F 34a_100000211962_200000210301 [1,1,0,0,0,0|1,0,1]=4 3356 B10R1.4 COCc1ccccc1F 34a_100138415774_100000211605 [1,1,0,0,0,0|1,0,1]=4 3357 B10R1.4 COCc1ccccc1F 7a_100000211962_200000210301 [1,1,0,0,0,0|1,0,1]=4 3358 B10R1.4 COCc1ccccc1I 34a_100000187465_200000210301 [1,1,0,0,0,0|1,0,1]=4 3359 B10R1.4 COCc1ccccc1I 34a_100138415774_100011215278 [1,1,0,0,0,0|1,0,1]=4 3360 B10R1.4 COCc1ccccc1I 7a_100000187465_200000210301 [1,1,0,0,0,0|1,0,1]=4 3361 B10R1.4 COCc1ccccc1N 34a_100000212039_200000210301 [1,1,0,0,0,0|1,0,1]=4 3362 B10R1.4 COCc1ccccc1O 271570a_203496583355_100011493684 [1,1,0,0,0,0|1,0,1]=4 3363 B10R1.4 CSCc1ccccc1Br 62a_100000184730_200000210301 [1,1,0,0,0,0|1,0,1]=4 3364 B10R1.4 CSCc1ccccc1Br 62a_200000210301_100000184730 [1,1,0,0,0,0|1,0,1]=4 3365 B10R1.4 CSCc1ccccc1C 62a_100000211839_200000210301 [1,1,0,0,0,0|1,0,1]=4 3366 B10R1.4 CSCc1ccccc1C 62a_200000210301_100000211839 [1,1,0,0,0,0|1,0,1]=4 3367 B10R1.4 CSCc1ccccc1Cl 62a_100000187162_200000210301 [1,1,0,0,0,0|1,0,1]=4 3368 B10R1.4 CSCc1ccccc1Cl 62a_200000210301_100000187162 [1,1,0,0,0,0|1,0,1]=4 3369 B10R1.4 CSCc1ccccc1F 62a_100000211605_200000210301 [1,1,0,0,0,0|1,0,1]=4 3370 B10R1.4 CSCc1ccccc1F 62a_200000210301_100000211605 [1,1,0,0,0,0|1,0,1]=4 3371 B10R1.4 CSCc1ccccc1I 62a_100011216222_200000210301 [1,1,0,0,0,0|1,0,1]=4 3372 B10R1.4 CSCc1ccccc1I 62a_200000210301_100011216222 [1,1,0,0,0,0|1,0,1]=4 3373 B10R1.4 CSCc1ccccc1O 271570a_203496583355_100000148299 [1,1,0,0,0,0|1,0,1]=4 3374 B10R1.4 Cc1ccccc1CN[13CH3] 34a_100000174972_200025704644 [1,1,0,0,0,0|1,0,1]=4 3375 B10R1.4 Cc1ccccc1CO[13CH3] 34a_100000698903_200025704644 [1,1,0,0,0,0|1,0,1]=4 3376 B10R1.4 Cc1ccccc1CO[13CH3] 7a_100000698903_200025704644 [1,1,0,0,0,0|1,0,1]=4 3377 B10R1.4 Cc1ccccc1CS[13CH3] 62a_100000211839_200025704644 [1,1,0,0,0,0|1,0,1]=4 3378 B10R1.4 Cc1ccccc1CS[13CH3] 62a_200025704644_100000211839 [1,1,0,0,0,0|1,0,1]=4 3379 B10R1.4 Cc1ccccc1NCF 34a_100015192222_100015361967 [1,1,0,0,0,0|2,0,0]=4 3380 B10R1.4 Cc1ccccc1OCF 34a_100000210338_100015361967 [1,1,0,0,0,0|1,0,0]=3 3381 B10R1.4 Cc1ccccc1OCF 7a_100000210338_100015361967 [1,1,0,0,0,0|1,0,0]=3 3382 B10R1.4 Cc1ccccc1SCF 62a_100000210755_100015361967 [1,1,0,0,0,0|1,1,0]=4 3383 B10R1.4 Cc1ccccc1SCF 62a_100015361967_100000210755 [1,1,0,0,0,0|1,1,0]=4 3384 B10R1.4 Cc1ccncc1OCF 34a_100011997053_100015361967 [1,1,0,0,0,0|2,0,0]=4 3385 B10R1.4 Cc1ccncc1OCF 7a_100011997053_100015361967 [1,1,0,0,0,0|2,0,0]=4 3386 B10R1.4 Cc1cnccc1OCF 34a_100000694293_100015361967 [1,1,0,0,0,0|2,0,0]=4 3387 B10R1.4 Cc1ncccc1OCF 34a_100000745507_100015361967 [1,1,0,0,0,0|2,0,0]=4 3388 B10R1.4 Cc1ncccc1OCF 7a_100000745507_100015361967 [1,1,0,0,0,0|2,0,0]=4 3389 B10R1.4 FCNc1ccccc1Br 34a_100000210017_100015361967 [1,1,0,0,0,0|2,0,0]=4 3390 B10R1.4 FCNc1ccccc1Cl 34a_100000185783_100015361967 [1,1,0,0,0,0|2,0,0]=4 3391 B10R1.4 FCNc1ccccc1F 34a_100000210422_100015361967 [1,1,0,0,0,0|2,0,0]=4 3392 B10R1.4 FCNc1ccccc1I 34a_100000210053_100015361967 [1,1,0,0,0,0|2,0,0]=4 3393 B10R1.4 FCOc1ccccc1Br 34a_100000181306_100015361967 [1,1,0,0,0,0|1,0,0]=3 3394 B10R1.4 FCOc1ccccc1Br 7a_100000181306_100015361967 [1,1,0,0,0,0|1,0,0]=3 3395 B10R1.4 FCOc1ccccc1Cl 34a_100000210172_100015361967 [1,1,0,0,0,0|1,0,0]=3 3396 B10R1.4 FCOc1ccccc1Cl 7a_100000210172_100015361967 [1,1,0,0,0,0|1,0,0]=3 3397 B10R1.4 FCOc1ccccc1F 34a_100000210171_100015361967 [1,1,0,0,0,0|1,0,0]=3 3398 B10R1.4 FCOc1ccccc1F 7a_100000210171_100015361967 [1,1,0,0,0,0|1,0,0]=3 3399 B10R1.4 FCOc1ccccc1I 34a_100000739446_100015361967 [1,1,0,0,0,0|1,0,0]=3 3400 B10R1.4 FCOc1ccccc1I 7a_100000739446_100015361967 [1,1,0,0,0,0|1,0,0]=3 3401 B10R1.4 FCOc1cccnc1Br 34a_100000744436_100015361967 [1,1,0,0,0,0|2,0,0]=4 3402 B10R1.4 FCOc1cccnc1Br 7a_100000744436_100015361967 [1,1,0,0,0,0|2,0,0]=4 3403 B10R1.4 FCOc1cccnc1Cl 34a_100000757616_100015361967 [1,1,0,0,0,0|2,0,0]=4 3404 B10R1.4 FCOc1cccnc1Cl 7a_100000757616_100015361967 [1,1,0,0,0,0|2,0,0]=4 3405 B10R1.4 FCOc1cccnc1F 34a_100000061740_100015361967 [1,1,0,0,0,0|2,0,0]=4 3406 B10R1.4 FCOc1cccnc1F 7a_100000061740_100015361967 [1,1,0,0,0,0|2,0,0]=4 3407 B10R1.4 FCOc1cccnc1I 34a_100000034122_100015361967 [1,1,0,0,0,0|2,0,0]=4 3408 B10R1.4 FCOc1cccnc1I 7a_100000034122_100015361967 [1,1,0,0,0,0|2,0,0]=4 3409 B10R1.4 FCOc1ccncc1Br 34a_100011996408_100015361967 [1,1,0,0,0,0|2,0,0]=4 3410 B10R1.4 FCOc1ccncc1Cl 34a_100011997054_100015361967 [1,1,0,0,0,0|2,0,0]=4 3411 B10R1.4 FCOc1ccncc1F 34a_200000081243_100015361967 [1,1,0,0,0,0|2,0,0]=4 3412 B10R1.4 FCOc1cnccc1Cl 34a_100011996695_100015361967 [1,1,0,0,0,0|2,0,0]=4 3413 B10R1.4 FCOc1cnccc1I 34a_100000050107_100015361967 [1,1,0,0,0,0|2,0,0]=4 3414 B10R1.4 FCOc1ncccc1Cl 34a_100011290957_100015361967 [1,1,0,0,0,0|2,0,0]=4 3415 B10R1.4 FCOc1ncccc1F 34a_100011219419_100015361967 [1,1,0,0,0,0|2,0,0]=4 3416 B10R1.4 FCSc1ccccc1Br 62a_100000695589_100015361967 [1,1,0,0,0,0|1,1,0]=4 3417 B10R1.4 FCSc1ccccc1Br 62a_100015361967_100000695589 [1,1,0,0,0,0|1,1,0]=4 3418 B10R1.4 FCSc1ccccc1Cl 62a_100000764095_100015361967 [1,1,0,0,0,0|1,1,0]=4 3419 B10R1.4 FCSc1ccccc1Cl 62a_100015361967_100000764095 [1,1,0,0,0,0|1,1,0]=4 3420 B10R1.4 FCSc1ccccc1F 62a_100011215700_100015361967 [1,1,0,0,0,0|1,1,0]=4 3421 B10R1.4 FCSc1ccccc1F 62a_100015361967_100011215700 [1,1,0,0,0,0|1,1,0]=4 3422 B10R1.4 N#CCc1ccccc1O 271570a_203496583355_100000033512 [1,1,0,0,0,0|1,0,1]=4 3423 B10R1.4 NCCc1ccccc1O 271570a_203496583355_100000747383 [1,1,0,0,0,0|1,0,1]=4 3424 B10R1.4 NNCc1ccccc1O 271570a_203496583355_200016993956 [1,1,0,0,0,0|2,0,0]=4 3425 B10R1.4 Nc1ccccc1OCF 34a_100000185747_100015361967 [1,1,0,0,0,0|1,0,0]=3 3426 B10R1.4 Nc1ccccc1OCF 7a_100000185747_100015361967 [1,1,0,0,0,0|1,0,0]=3 3427 B10R1.4 Nc1ccccc1SCF 62a_100000210017_100015361967 [1,1,0,0,0,0|1,1,0]=4 3428 B10R1.4 Nc1ccccc1SCF 62a_100015361967_100000210017 [1,1,0,0,0,0|1,1,0]=4 3429 B10R1.4 Nc1cccnc1OCF 34a_100000746358_100015361967 [1,1,0,0,0,0|2,0,0]=4 3430 B10R1.4 Nc1ccncc1OCF 34a_100000753702_100015361967 [1,1,0,0,0,0|2,0,0]=4 3431 B10R1.4 Nc1ncccc1OCF 34a_100000211975_100015361967 [1,1,0,0,0,0|2,0,0]=4 3432 B10R1.4 Nc1ncccc1OCF 7a_100000211975_100015361967 [1,1,0,0,0,0|2,0,0]=4 3433 B10R1.4 O=c1ccocc1OCF 34a_100000060831_100015361967 [1,1,0,0,0,0|2,0,0]=4 3434 B10R1.4 O=c1occcc1OCF 34a_100000077404_100015361967 [1,1,0,0,0,0|2,0,0]=4 3435 B10R1.4 O=c1occcc1OCF 7a_100000077404_100015361967 [1,1,0,0,0,0|2,0,0]=4 3436 B10R1.4 OCCc1ccccc1O 271570a_203496583355_100000731337 [1,1,0,0,0,0|1,0,1]=4 3437 B10R1.4 Oc1ccccc1NCF 34a_100000185747_100015361967 [1,1,0,0,0,0|2,0,0]=4 3438 B10R1.4 Oc1ccccc1SCF 62a_100000739446_100015361967 [1,1,0,0,0,0|1,1,0]=4 3439 B10R1.4 Oc1ccccc1SCF 62a_100015361967_100000739446 [1,1,0,0,0,0|1,1,0]=4 3440 B10R1.4 [13CH3]NCc1ccccc1Br 2230a_100000689332_200025704644 [1,1,0,0,0,0|1,0,1]=4 3441 B10R1.4 [13CH3]NCc1ccccc1Br 34a_100000689332_200025704644 [1,1,0,0,0,0|1,0,1]=4 3442 B10R1.4 [13CH3]NCc1ccccc1Cl 2230a_100000174879_200025704644 [1,1,0,0,0,0|1,0,1]=4 3443 B10R1.4 [13CH3]NCc1ccccc1Cl 34a_100000174879_200025704644 [1,1,0,0,0,0|1,0,1]=4 3444 B10R1.4 [13CH3]NCc1ccccc1F 34a_100000174869_200025704644 [1,1,0,0,0,0|1,0,1]=4 3445 B10R1.4 [13CH3]NCc1ccccc1O 34a_100000185550_200025704644 [1,1,0,0,0,0|1,0,1]=4 3446 B10R1.4 [13CH3]OCc1ccccc1Br 34a_100000756307_200025704644 [1,1,0,0,0,0|1,0,1]=4 3447 B10R1.4 [13CH3]OCc1ccccc1Br 7a_100000756307_200025704644 [1,1,0,0,0,0|1,0,1]=4 3448 B10R1.4 [13CH3]OCc1ccccc1Cl 34a_100000210847_200025704644 [1,1,0,0,0,0|1,0,1]=4 3449 B10R1.4 [13CH3]OCc1ccccc1Cl 7a_100000210847_200025704644 [1,1,0,0,0,0|1,0,1]=4 3450 B10R1.4 [13CH3]OCc1ccccc1F 34a_100000211962_200025704644 [1,1,0,0,0,0|1,0,1]=4 3451 B10R1.4 [13CH3]OCc1ccccc1F 7a_100000211962_200025704644 [1,1,0,0,0,0|1,0,1]=4 3452 B10R1.4 [13CH3]OCc1ccccc1I 34a_100000187465_200025704644 [1,1,0,0,0,0|1,0,1]=4 3453 B10R1.4 [13CH3]OCc1ccccc1I 7a_100000187465_200025704644 [1,1,0,0,0,0|1,0,1]=4 3454 B10R1.4 [13CH3]OCc1ccccc1N 34a_100000212039_200025704644 [1,1,0,0,0,0|1,0,1]=4 3455 B10R1.4 [13CH3]SCc1ccccc1Br 62a_100000184730_200025704644 [1,1,0,0,0,0|1,0,1]=4 3456 B10R1.4 [13CH3]SCc1ccccc1Br 62a_200025704644_100000184730 [1,1,0,0,0,0|1,0,1]=4 3457 B10R1.4 [13CH3]SCc1ccccc1Cl 62a_100000187162_200025704644 [1,1,0,0,0,0|1,0,1]=4 3458 B10R1.4 [13CH3]SCc1ccccc1Cl 62a_200025704644_100000187162 [1,1,0,0,0,0|1,0,1]=4 3459 B10R1.4 [13CH3]SCc1ccccc1F 62a_100000211605_200025704644 [1,1,0,0,0,0|1,0,1]=4 3460 B10R1.4 [13CH3]SCc1ccccc1F 62a_200025704644_100000211605 [1,1,0,0,0,0|1,0,1]=4 3461 B10R1.4 [13CH3]SCc1ccccc1I 62a_100011216222_200025704644 [1,1,0,0,0,0|1,0,1]=4 3462 B10R1.4 [13CH3]SCc1ccccc1I 62a_200025704644_100011216222 [1,1,0,0,0,0|1,0,1]=4 3463 B10R1.4 [O-][n+]1ccccc1OCF 7a_100000211761_100015361967 [1,1,0,0,0,0|2,0,0]=4 3464 B10R1.10 C=C=Cc1cccc(c1)Br 271570a_100015277604_100000691529 [1,1,0,0,0,0|0,0,2]=4 3465 B10R1.10 C=C=Cc1cccc(c1)C 271570a_100015277604_100011215228 [1,1,0,0,0,0|0,0,2]=4 3466 B10R1.10 C=C=Cc1cccc(c1)Cl 271570a_100015277604_100000699651 [1,1,0,0,0,0|0,0,2]=4 3467 B10R1.10 C=C=Cc1cccc(c1)F 271570a_100015277604_100000685547 [1,1,0,0,0,0|0,0,2]=4 3468 B10R1.10 C=C=Cc1cccc(c1)N 271570a_100015277604_100000210019 [1,1,0,0,0,0|0,0,2]=4 3469 B10R1.10 C=C=Cc1cccc(c1)O 271570a_100015277604_100000211634 [1,1,0,0,0,0|0,0,2]=4 3470 B10R1.10 C=C=Cc1cccc(c1)[S] 271570a_100015277604_114929384022 [1,1,0,0,0,0|0,0,2]=4 3471 B10R1.10 C=CCc1cccc(c1)O 271570a_203496583355_100009816576 [1,1,0,0,0,0|0,0,0]=2 3472 B10R1.10 CC=Cc1cccc(c1)Br 271570a_100016259895_100000691529 [1,1,0,0,0,0|0,0,2]=4 3473 B10R1.10 CC=Cc1cccc(c1)C 271570a_100016259895_100011215228 [1,1,0,0,0,0|0,0,2]=4 3474 B10R1.10 CC=Cc1cccc(c1)Cl 271570a_100016259895_100000699651 [1,1,0,0,0,0|0,0,2]=4 3475 B10R1.10 CC=Cc1cccc(c1)F 271570a_100016259895_100000685547 [1,1,0,0,0,0|0,0,2]=4 3476 B10R1.10 CC=Cc1cccc(c1)N 271570a_100016259895_100000210019 [1,1,0,0,0,0|0,0,2]=4 3477 B10R1.10 CC=Cc1cccc(c1)O 271570a_100016259895_100000211634 [1,1,0,0,0,0|0,0,2]=4 3478 B10R1.10 CC=Cc1cccc(c1)[S] 271570a_100016259895_114929384022 [1,1,0,0,0,0|0,0,2]=4 3479 B10R1.10 CCCc1cccc(c1)O 271570a_203496583355_100000694964 [1,1,0,0,0,0|0,0,2]=4 3480 B10R1.10 CCNc1cccc(c1)Br 34a_100000210019_100000210202 [1,1,0,0,0,0|1,0,1]=4 3481 B10R1.10 CCNc1cccc(c1)C 2230a_100000188690_100000210202 [1,1,0,0,0,0|1,0,1]=4 3482 B10R1.10 CCNc1cccc(c1)C 34a_100000188690_100000210202 [1,1,0,0,0,0|1,0,1]=4 3483 B10R1.10 CCNc1cccc(c1)Cl 34a_100000185859_100000210202 [1,1,0,0,0,0|1,0,1]=4 3484 B10R1.10 CCNc1cccc(c1)F 34a_100000210047_100000210202 [1,1,0,0,0,0|1,0,1]=4 3485 B10R1.10 CCNc1cccc(c1)I 34a_100000211102_100000210202 [1,1,0,0,0,0|1,0,1]=4 3486 B10R1.10 CCNc1cccc(c1)O 271570a_203496583355_100000738899 [1,1,0,0,0,0|1,0,1]=4 3487 B10R1.10 CCNc1cccc(c1)O 34a_100000210217_100000210202 [1,1,0,0,0,0|1,0,1]=4 3488 B10R1.10 CCOc1cc(ccn1)O 271570a_203496583355_100009995528 [1,1,0,0,0,0|1,0,1]=4 3489 B10R1.10 CCOc1cc[nH]c(=O)c1 34a_100000032262_100000210202 [1,1,0,0,0,0|1,0,1]=4 3490 B10R1.10 CCOc1ccc[n+](c1)[O-] 34a_100000039713_100000210202 [1,1,0,0,0,0|1,0,1]=4 3491 B10R1.10 CCOc1ccc[n+](c1)[O-] 7a_100000039713_100000210202 [1,1,0,0,0,0|1,0,1]=4 3492 B10R1.10 CCOc1cccc(=O)[nH]1 34a_100000033347_100000210202 [1,1,0,0,0,0|1,0,1]=4 3493 B10R1.10 CCOc1cccc(c1)Br 34a_100000210342_100000210202 [1,1,0,0,0,0|0,0,1]=3 3494 B10R1.10 CCOc1cccc(c1)Br 7a_100000210342_100000210202 [1,1,0,0,0,0|0,0,1]=3 3495 B10R1.10 CCOc1cccc(c1)C 34a_100000210337_100000210202 [1,1,0,0,0,0|0,0,1]=3 3496 B10R1.10 CCOc1cccc(c1)C 7a_100000210337_100000210202 [1,1,0,0,0,0|0,0,1]=3 3497 B10R1.10 CCOc1cccc(c1)Cl 34a_100000210295_100000210202 [1,1,0,0,0,0|0,0,1]=3 3498 B10R1.10 CCOc1cccc(c1)Cl 7a_100000210295_100000210202 [1,1,0,0,0,0|0,0,1]=3 3499 B10R1.10 CCOc1cccc(c1)F 34a_100000210426_100000210202 [1,1,0,0,0,0|0,0,1]=3 3500 B10R1.10 CCOc1cccc(c1)F 7a_100000210426_100000210202 [1,1,0,0,0,0|0,0,1]=3 3501 B10R1.10 CCOc1cccc(c1)I 34a_100000211634_100000210202 [1,1,0,0,0,0|0,0,1]=3 3502 B10R1.10 CCOc1cccc(c1)I 7a_100000211634_100000210202 [1,1,0,0,0,0|0,0,1]=3 3503 B10R1.10 CCOc1cccc(c1)N 34a_100000210217_100000210202 [1,1,0,0,0,0|0,0,1]=3 3504 B10R1.10 CCOc1cccc(c1)O 271570a_203496583355_100000170002 [1,1,0,0,0,0|0,0,1]=3 3505 B10R1.10 CCOc1cccc(n1)F 34a_100011432558_100000210202 [1,1,0,0,0,0|1,0,1]=4 3506 B10R1.10 CCOc1cccc(n1)O 271570a_203496583355_100000752924 [1,1,0,0,0,0|1,0,1]=4 3507 B10R1.10 CCOc1ccnc(c1)C 34a_100000688365_100000210202 [1,1,0,0,0,0|1,0,1]=4 3508 B10R1.10 CCOc1ccnc(c1)Cl 34a_100000762945_100000210202 [1,1,0,0,0,0|1,0,1]=4 3509 B10R1.10 CCOc1ccnc(c1)F 34a_100000732698_100000210202 [1,1,0,0,0,0|1,0,1]=4 3510 B10R1.10 CCOc1ccnc(c1)N 34a_100011834064_100000210202 [1,1,0,0,0,0|1,0,1]=4 3511 B10R1.10 CCOc1ccnc(c1)O 271570a_203496583355_100011922638 [1,1,0,0,0,0|1,0,1]=4 3512 B10R1.10 CCOc1cncc(c1)Br 34a_100000754920_100000210202 [1,1,0,0,0,0|1,0,1]=4 3513 B10R1.10 CCOc1cncc(c1)Br 7a_100000754920_100000210202 [1,1,0,0,0,0|1,0,1]=4 3514 B10R1.10 CCOc1cncc(c1)C 34a_100011830280_100000210202 [1,1,0,0,0,0|1,0,1]=4 3515 B10R1.10 CCOc1cncc(c1)C 7a_100011830280_100000210202 [1,1,0,0,0,0|1,0,1]=4 3516 B10R1.10 CCOc1cncc(c1)Cl 7a_100000032511_100000210202 [1,1,0,0,0,0|1,0,1]=4 3517 B10R1.10 CCOc1cncc(c1)F 34a_100011830296_100000210202 [1,1,0,0,0,0|1,0,1]=4 3518 B10R1.10 CCOc1cncc(c1)F 7a_100011830296_100000210202 [1,1,0,0,0,0|1,0,1]=4 3519 B10R1.10 CCOc1cncc(c1)N 34a_100011997051_100000210202 [1,1,0,0,0,0|1,0,1]=4 3520 B10R1.10 CCOc1cncc(c1)O 271570a_203496583355_100012029586 [1,1,0,0,0,0|1,0,1]=4 3521 B10R1.10 CCSc1cccc(c1)Br 62a_100000210202_100000691529 [1,1,0,0,0,0|0,1,1]=4 3522 B10R1.10 CCSc1cccc(c1)Br 62a_100000691529_100000210202 [1,1,0,0,0,0|0,1,1]=4 3523 B10R1.10 CCSc1cccc(c1)C 62a_100000210202_100011215228 [1,1,0,0,0,0|0,1,1]=4 3524 B10R1.10 CCSc1cccc(c1)C 62a_100011215228_100000210202 [1,1,0,0,0,0|0,1,1]=4 3525 B10R1.10 CCSc1cccc(c1)Cl 62a_100000210202_100000699651 [1,1,0,0,0,0|0,1,1]=4 3526 B10R1.10 CCSc1cccc(c1)Cl 62a_100000699651_100000210202 [1,1,0,0,0,0|0,1,1]=4 3527 B10R1.10 CCSc1cccc(c1)F 62a_100000210202_100000685547 [1,1,0,0,0,0|0,1,1]=4 3528 B10R1.10 CCSc1cccc(c1)F 62a_100000685547_100000210202 [1,1,0,0,0,0|0,1,1]=4 3529 B10R1.10 CCSc1cccc(c1)N 62a_100000210019_100000210202 [1,1,0,0,0,0|0,1,1]=4 3530 B10R1.10 CCSc1cccc(c1)N 62a_100000210202_100000210019 [1,1,0,0,0,0|0,1,1]=4 3531 B10R1.10 CCSc1cccc(c1)O 271570a_203496583355_100000703699 [1,1,0,0,0,0|0,1,1]=4 3532 B10R1.10 CCSc1cccc(c1)O 62a_100000210202_100000211634 [1,1,0,0,0,0|0,1,1]=4 3533 B10R1.10 CCSc1cccc(c1)[S] 62a_100000210202_114929384022 [1,1,0,0,0,0|0,1,1]=4 3534 B10R1.10 CCSc1cccc(c1)[S] 62a_114929384022_100000210202 [1,1,0,0,0,0|0,1,1]=4 3535 B10R1.10 CNCc1cccc(c1)Br 207a_100102657272_100000210085 [1,1,0,0,0,0|1,0,1]=4 3536 B10R1.10 CNCc1cccc(c1)Br 2230a_100000174977_200000210301 [1,1,0,0,0,0|1,0,1]=4 3537 B10R1.10 CNCc1cccc(c1)Br 2230a_106832991635_100000698116 [1,1,0,0,0,0|1,0,1]=4 3538 B10R1.10 CNCc1cccc(c1)Br 26a_100102657272_100000210342 [1,1,0,0,0,0|1,0,1]=4 3539 B10R1.10 CNCc1cccc(c1)Br 270004a_106832991635_100000210085 [1,1,0,0,0,0|1,0,1]=4 3540 B10R1.10 CNCc1cccc(c1)Br 34a_100000174977_200000210301 [1,1,0,0,0,0|1,0,1]=4 3541 B10R1.10 CNCc1cccc(c1)Br 34a_100102657272_100000698116 [1,1,0,0,0,0|1,0,1]=4 3542 B10R1.10 CNCc1cccc(c1)Br 7a_106832991635_100000211773 [1,1,0,0,0,0|1,0,1]=4 3543 B10R1.10 CNCc1cccc(c1)C 207a_100102657272_100000211157 [1,1,0,0,0,0|1,0,1]=4 3544 B10R1.10 CNCc1cccc(c1)C 2230a_100000185548_200000210301 [1,1,0,0,0,0|1,0,1]=4 3545 B10R1.10 CNCc1cccc(c1)C 2230a_106832991635_100000211840 [1,1,0,0,0,0|1,0,1]=4 3546 B10R1.10 CNCc1cccc(c1)C 270004a_106832991635_100000211157 [1,1,0,0,0,0|1,0,1]=4 3547 B10R1.10 CNCc1cccc(c1)C 34a_100000185548_200000210301 [1,1,0,0,0,0|1,0,1]=4 3548 B10R1.10 CNCc1cccc(c1)C 34a_100102657272_100000211840 [1,1,0,0,0,0|1,0,1]=4 3549 B10R1.10 CNCc1cccc(c1)C 7a_106832991635_100000211840 [1,1,0,0,0,0|1,0,1]=4 3550 B10R1.10 CNCc1cccc(c1)Cl 207a_100102657272_100000210801 [1,1,0,0,0,0|1,0,1]=4 3551 B10R1.10 CNCc1cccc(c1)Cl 2230a_100000174878_200000210301 [1,1,0,0,0,0|1,0,1]=4 3552 B10R1.10 CNCc1cccc(c1)Cl 2230a_106832991635_100000181238 [1,1,0,0,0,0|1,0,1]=4 3553 B10R1.10 CNCc1cccc(c1)Cl 270004a_106832991635_100000210801 [1,1,0,0,0,0|1,0,1]=4 3554 B10R1.10 CNCc1cccc(c1)Cl 34a_100000174878_200000210301 [1,1,0,0,0,0|1,0,1]=4 3555 B10R1.10 CNCc1cccc(c1)Cl 34a_100102657272_100000187163 [1,1,0,0,0,0|1,0,1]=4 3556 B10R1.10 CNCc1cccc(c1)Cl 7a_106832991635_100000187163 [1,1,0,0,0,0|1,0,1]=4 3557 B10R1.10 CNCc1cccc(c1)F 207a_100102657272_100000210812 [1,1,0,0,0,0|1,0,1]=4 3558 B10R1.10 CNCc1cccc(c1)F 2230a_100000174948_200000210301 [1,1,0,0,0,0|1,0,1]=4 3559 B10R1.10 CNCc1cccc(c1)F 2230a_106832991635_100000230114 [1,1,0,0,0,0|1,0,1]=4 3560 B10R1.10 CNCc1cccc(c1)F 270004a_106832991635_100000210812 [1,1,0,0,0,0|1,0,1]=4 3561 B10R1.10 CNCc1cccc(c1)F 34a_100000174948_200000210301 [1,1,0,0,0,0|1,0,1]=4 3562 B10R1.10 CNCc1cccc(c1)F 34a_100102657272_100000187166 [1,1,0,0,0,0|1,0,1]=4 3563 B10R1.10 CNCc1cccc(c1)F 7a_106832991635_100000230114 [1,1,0,0,0,0|1,0,1]=4 3564 B10R1.10 CNCc1cccc(c1)I 207a_100102657272_100000014684 [1,1,0,0,0,0|1,0,1]=4 3565 B10R1.10 CNCc1cccc(c1)I 2230a_100000106179_200000210301 [1,1,0,0,0,0|1,0,1]=4 3566 B10R1.10 CNCc1cccc(c1)I 2230a_106832991635_100011218688 [1,1,0,0,0,0|1,0,1]=4 3567 B10R1.10 CNCc1cccc(c1)I 270004a_106832991635_100000014684 [1,1,0,0,0,0|1,0,1]=4 3568 B10R1.10 CNCc1cccc(c1)I 34a_100000106179_200000210301 [1,1,0,0,0,0|1,0,1]=4 3569 B10R1.10 CNCc1cccc(c1)I 34a_100102657272_100011218688 [1,1,0,0,0,0|1,0,1]=4 3570 B10R1.10 CNCc1cccc(c1)I 7a_106832991635_100011218688 [1,1,0,0,0,0|1,0,1]=4 3571 B10R1.10 CNCc1cccc(c1)O 207a_100102657272_100000188321 [1,1,0,0,0,0|1,0,1]=4 3572 B10R1.10 CNCc1cccc(c1)O 2230a_100000743036_200000210301 [1,1,0,0,0,0|1,0,1]=4 3573 B10R1.10 CNCc1cccc(c1)O 2230a_106832991635_100011660834 [1,1,0,0,0,0|1,0,1]=4 3574 B10R1.10 CNCc1cccc(c1)O 270004a_106832991635_100000188321 [1,1,0,0,0,0|1,0,1]=4 3575 B10R1.10 CNCc1cccc(c1)O 271570a_203496583355_100000187585 [1,1,0,0,0,0|1,0,1]=4 3576 B10R1.10 CNCc1cccc(c1)O 34a_100000743036_200000210301 [1,1,0,0,0,0|1,0,1]=4 3577 B10R1.10 CNCc1cccc(c1)O 34a_100102657272_100011660834 [1,1,0,0,0,0|1,0,1]=4 3578 B10R1.10 CNCc1cccc(c1)O 7a_106832991635_100000084143 [1,1,0,0,0,0|1,0,1]=4 3579 B10R1.10 COCc1cccc(c1)Br 34a_100000687537_200000210301 [1,1,0,0,0,0|1,0,1]=4 3580 B10R1.10 COCc1cccc(c1)Br 34a_100138415774_100000698116 [1,1,0,0,0,0|1,0,1]=4 3581 B10R1.10 COCc1cccc(c1)Br 7a_100000687537_200000210301 [1,1,0,0,0,0|1,0,1]=4 3582 B10R1.10 COCc1cccc(c1)C 34a_100011217746_200000210301 [1,1,0,0,0,0|1,0,1]=4 3583 B10R1.10 COCc1cccc(c1)C 34a_100138415774_100000211840 [1,1,0,0,0,0|1,0,1]=4 3584 B10R1.10 COCc1cccc(c1)C 7a_100011217746_200000210301 [1,1,0,0,0,0|1,0,1]=4 3585 B10R1.10 COCc1cccc(c1)Cl 34a_100000241301_200000210301 [1,1,0,0,0,0|1,0,1]=4 3586 B10R1.10 COCc1cccc(c1)Cl 34a_100138415774_100000187163 [1,1,0,0,0,0|1,0,1]=4 3587 B10R1.10 COCc1cccc(c1)Cl 7a_100000241301_200000210301 [1,1,0,0,0,0|1,0,1]=4 3588 B10R1.10 COCc1cccc(c1)F 34a_100000210976_200000210301 [1,1,0,0,0,0|1,0,1]=4 3589 B10R1.10 COCc1cccc(c1)F 34a_100138415774_100000187166 [1,1,0,0,0,0|1,0,1]=4 3590 B10R1.10 COCc1cccc(c1)F 7a_100000210976_200000210301 [1,1,0,0,0,0|1,0,1]=4 3591 B10R1.10 COCc1cccc(c1)I 34a_100011215336_200000210301 [1,1,0,0,0,0|1,0,1]=4 3592 B10R1.10 COCc1cccc(c1)I 34a_100138415774_100011218688 [1,1,0,0,0,0|1,0,1]=4 3593 B10R1.10 COCc1cccc(c1)I 7a_100011215336_200000210301 [1,1,0,0,0,0|1,0,1]=4 3594 B10R1.10 COCc1cccc(c1)N 34a_100000211919_200000210301 [1,1,0,0,0,0|1,0,1]=4 3595 B10R1.10 COCc1cccc(c1)O 271570a_203496583355_100011493687 [1,1,0,0,0,0|1,0,1]=4 3596 B10R1.10 COCc1cccc(c1)O 34a_100138415774_100011660834 [1,1,0,0,0,0|1,0,1]=4 3597 B10R1.10 CSCc1cccc(c1)Br 62a_100000211773_200000210301 [1,1,0,0,0,0|1,0,1]=4 3598 B10R1.10 CSCc1cccc(c1)Br 62a_200000210301_100000211773 [1,1,0,0,0,0|1,0,1]=4 3599 B10R1.10 CSCc1cccc(c1)C 62a_100000211840_200000210301 [1,1,0,0,0,0|1,0,1]=4 3600 B10R1.10 CSCc1cccc(c1)C 62a_200000210301_100000211840 [1,1,0,0,0,0|1,0,1]=4 3601 B10R1.10 CSCc1cccc(c1)Cl 62a_100000187163_200000210301 [1,1,0,0,0,0|1,0,1]=4 3602 B10R1.10 CSCc1cccc(c1)Cl 62a_200000210301_100000187163 [1,1,0,0,0,0|1,0,1]=4 3603 B10R1.10 CSCc1cccc(c1)F 62a_100000230114_200000210301 [1,1,0,0,0,0|1,0,1]=4 3604 B10R1.10 CSCc1cccc(c1)F 62a_200000210301_100000230114 [1,1,0,0,0,0|1,0,1]=4 3605 B10R1.10 CSCc1cccc(c1)I 62a_100011218688_200000210301 [1,1,0,0,0,0|1,0,1]=4 3606 B10R1.10 CSCc1cccc(c1)I 62a_200000210301_100011218688 [1,1,0,0,0,0|1,0,1]=4 3607 B10R1.10 CSCc1cccc(c1)O 62a_100011660834_200000210301 [1,1,0,0,0,0|1,0,1]=4 3608 B10R1.10 CSCc1cccc(c1)O 62a_200000210301_100011660834 [1,1,0,0,0,0|1,0,1]=4 3609 B10R1.10 Cc1cc(ccn1)OCF 34a_100000688365_100015361967 [1,1,0,0,0,0|2,0,0]=4 3610 B10R1.10 Cc1cccc(c1)CN[13CH3] 2230a_100000185548_200025704644 [1,1,0,0,0,0|1,0,1]=4 3611 B10R1.10 Cc1cccc(c1)CN[13CH3] 34a_100000185548_200025704644 [1,1,0,0,0,0|1,0,1]=4 3612 B10R1.10 Cc1cccc(c1)CO[13CH3] 34a_100011217746_200025704644 [1,1,0,0,0,0|1,0,1]=4 3613 B10R1.10 Cc1cccc(c1)CO[13CH3] 7a_100011217746_200025704644 [1,1,0,0,0,0|1,0,1]=4 3614 B10R1.10 Cc1cccc(c1)CS[13CH3] 62a_100000211840_200025704644 [1,1,0,0,0,0|1,0,1]=4 3615 B10R1.10 Cc1cccc(c1)CS[13CH3] 62a_200025704644_100000211840 [1,1,0,0,0,0|1,0,1]=4 3616 B10R1.10 Cc1cccc(c1)NCF 34a_100000188690_100015361967 [1,1,0,0,0,0|2,0,0]=4 3617 B10R1.10 Cc1cccc(c1)OCF 34a_100000210337_100015361967 [1,1,0,0,0,0|1,0,0]=3 3618 B10R1.10 Cc1cccc(c1)OCF 7a_100000210337_100015361967 [1,1,0,0,0,0|1,0,0]=3 3619 B10R1.10 Cc1cccc(c1)SCF 62a_100011215228_100015361967 [1,1,0,0,0,0|1,1,0]=4 3620 B10R1.10 Cc1cccc(c1)SCF 62a_100015361967_100011215228 [1,1,0,0,0,0|1,1,0]=4 3621 B10R1.10 Cc1cncc(c1)OCF 34a_100011830280_100015361967 [1,1,0,0,0,0|2,0,0]=4 3622 B10R1.10 Cc1cncc(c1)OCF 7a_100011830280_100015361967 [1,1,0,0,0,0|2,0,0]=4 3623 B10R1.10 FCNc1cccc(c1)Br 34a_100000210019_100015361967 [1,1,0,0,0,0|2,0,0]=4 3624 B10R1.10 FCNc1cccc(c1)Cl 34a_100000185859_100015361967 [1,1,0,0,0,0|2,0,0]=4 3625 B10R1.10 FCNc1cccc(c1)F 34a_100000210047_100015361967 [1,1,0,0,0,0|2,0,0]=4 3626 B10R1.10 FCNc1cccc(c1)I 34a_100000211102_100015361967 [1,1,0,0,0,0|2,0,0]=4 3627 B10R1.10 FCOc1cccc(c1)Br 34a_100000210342_100015361967 [1,1,0,0,0,0|1,0,0]=3 3628 B10R1.10 FCOc1cccc(c1)Br 7a_100000210342_100015361967 [1,1,0,0,0,0|1,0,0]=3 3629 B10R1.10 FCOc1cccc(c1)Cl 34a_100000210295_100015361967 [1,1,0,0,0,0|1,0,0]=3 3630 B10R1.10 FCOc1cccc(c1)Cl 7a_100000210295_100015361967 [1,1,0,0,0,0|1,0,0]=3 3631 B10R1.10 FCOc1cccc(c1)F 34a_100000210426_100015361967 [1,1,0,0,0,0|1,0,0]=3 3632 B10R1.10 FCOc1cccc(c1)F 7a_100000210426_100015361967 [1,1,0,0,0,0|1,0,0]=3 3633 B10R1.10 FCOc1cccc(c1)I 34a_100000211634_100015361967 [1,1,0,0,0,0|1,0,0]=3 3634 B10R1.10 FCOc1cccc(c1)I 7a_100000211634_100015361967 [1,1,0,0,0,0|1,0,0]=3 3635 B10R1.10 FCOc1cccc(n1)F 34a_100011432558_100015361967 [1,1,0,0,0,0|2,0,0]=4 3636 B10R1.10 FCOc1ccnc(c1)Cl 34a_100000762945_100015361967 [1,1,0,0,0,0|2,0,0]=4 3637 B10R1.10 FCOc1ccnc(c1)F 34a_100000732698_100015361967 [1,1,0,0,0,0|2,0,0]=4 3638 B10R1.10 FCOc1cncc(c1)Br 34a_100000754920_100015361967 [1,1,0,0,0,0|2,0,0]=4 3639 B10R1.10 FCOc1cncc(c1)Br 7a_100000754920_100015361967 [1,1,0,0,0,0|2,0,0]=4 3640 B10R1.10 FCOc1cncc(c1)Cl 7a_100000032511_100015361967 [1,1,0,0,0,0|2,0,0]=4 3641 B10R1.10 FCOc1cncc(c1)F 34a_100011830296_100015361967 [1,1,0,0,0,0|2,0,0]=4 3642 B10R1.10 FCOc1cncc(c1)F 7a_100011830296_100015361967 [1,1,0,0,0,0|2,0,0]=4 3643 B10R1.10 FCSc1cccc(c1)Br 62a_100000691529_100015361967 [1,1,0,0,0,0|1,1,0]=4 3644 B10R1.10 FCSc1cccc(c1)Br 62a_100015361967_100000691529 [1,1,0,0,0,0|1,1,0]=4 3645 B10R1.10 FCSc1cccc(c1)Cl 62a_100000699651_100015361967 [1,1,0,0,0,0|1,1,0]=4 3646 B10R1.10 FCSc1cccc(c1)Cl 62a_100015361967_100000699651 [1,1,0,0,0,0|1,1,0]=4 3647 B10R1.10 FCSc1cccc(c1)F 62a_100000685547_100015361967 [1,1,0,0,0,0|1,1,0]=4 3648 B10R1.10 FCSc1cccc(c1)F 62a_100015361967_100000685547 [1,1,0,0,0,0|1,1,0]=4 3649 B10R1.10 FCSc1cccc(c1)[S] 62a_100015361967_114929384022 [1,1,0,0,0,0|1,1,0]=4 3650 B10R1.10 FCSc1cccc(c1)[S] 62a_114929384022_100015361967 [1,1,0,0,0,0|1,1,0]=4 3651 B10R1.10 N#CCc1cccc(c1)O 271570a_203496583355_100000034040 [1,1,0,0,0,0|1,0,1]=4 3652 B10R1.10 NCCc1cccc(c1)O 271570a_203496583355_100011207229 [1,1,0,0,0,0|1,0,1]=4 3653 B10R1.10 NNCc1cccc(c1)O 271570a_203496583355_100000686200 [1,1,0,0,0,0|2,0,0]=4 3654 B10R1.10 Nc1cc(ccn1)OCF 34a_100011834064_100015361967 [1,1,0,0,0,0|2,0,0]=4 3655 B10R1.10 Nc1cccc(c1)OCF 34a_100000210217_100015361967 [1,1,0,0,0,0|1,0,0]=3 3656 B10R1.10 Nc1cccc(c1)SCF 62a_100000210019_100015361967 [1,1,0,0,0,0|1,1,0]=4 3657 B10R1.10 Nc1cccc(c1)SCF 62a_100015361967_100000210019 [1,1,0,0,0,0|1,1,0]=4 3658 B10R1.10 Nc1cncc(c1)OCF 34a_100011997051_100015361967 [1,1,0,0,0,0|2,0,0]=4 3659 B10R1.10 O=CCc1cccc(c1)O 271570a_203496583355_200000698211 [1,1,0,0,0,0|1,0,0]=3 3660 B10R1.10 O=c1cc(cc[nH]1)OCF 34a_100000032262_100015361967 [1,1,0,0,0,0|2,0,0]=4 3661 B10R1.10 O=c1cccc([nH]1)OCF 34a_100000033347_100015361967 [1,1,0,0,0,0|2,0,0]=4 3662 B10R1.10 OCCc1cccc(c1)O 271570a_203496583355_100011217444 [1,1,0,0,0,0|1,0,1]=4 3663 B10R1.10 Oc1cccc(c1)NCF 34a_100000210217_100015361967 [1,1,0,0,0,0|2,0,0]=4 3664 B10R1.10 Oc1cccc(c1)SCF 62a_100015361967_100000211634 [1,1,0,0,0,0|1,1,0]=4 3665 B10R1.10 [13CH3]NCc1cccc(c1)Br 2230a_100000174977_200025704644 [1,1,0,0,0,0|1,0,1]=4 3666 B10R1.10 [13CH3]NCc1cccc(c1)Br 34a_100000174977_200025704644 [1,1,0,0,0,0|1,0,1]=4 3667 B10R1.10 [13CH3]NCc1cccc(c1)Cl 2230a_100000174878_200025704644 [1,1,0,0,0,0|1,0,1]=4 3668 B10R1.10 [13CH3]NCc1cccc(c1)Cl 34a_100000174878_200025704644 [1,1,0,0,0,0|1,0,1]=4 3669 B10R1.10 [13CH3]NCc1cccc(c1)F 2230a_100000174948_200025704644 [1,1,0,0,0,0|1,0,1]=4 3670 B10R1.10 [13CH3]NCc1cccc(c1)F 34a_100000174948_200025704644 [1,1,0,0,0,0|1,0,1]=4 3671 B10R1.10 [13CH3]NCc1cccc(c1)I 2230a_100000106179_200025704644 [1,1,0,0,0,0|1,0,1]=4 3672 B10R1.10 [13CH3]NCc1cccc(c1)I 34a_100000106179_200025704644 [1,1,0,0,0,0|1,0,1]=4 3673 B10R1.10 [13CH3]NCc1cccc(c1)O 2230a_100000743036_200025704644 [1,1,0,0,0,0|1,0,1]=4 3674 B10R1.10 [13CH3]NCc1cccc(c1)O 34a_100000743036_200025704644 [1,1,0,0,0,0|1,0,1]=4 3675 B10R1.10 [13CH3]OCc1cccc(c1)Br 34a_100000687537_200025704644 [1,1,0,0,0,0|1,0,1]=4 3676 B10R1.10 [13CH3]OCc1cccc(c1)Br 7a_100000687537_200025704644 [1,1,0,0,0,0|1,0,1]=4 3677 B10R1.10 [13CH3]OCc1cccc(c1)Cl 34a_100000241301_200025704644 [1,1,0,0,0,0|1,0,1]=4 3678 B10R1.10 [13CH3]OCc1cccc(c1)Cl 7a_100000241301_200025704644 [1,1,0,0,0,0|1,0,1]=4 3679 B10R1.10 [13CH3]OCc1cccc(c1)F 34a_100000210976_200025704644 [1,1,0,0,0,0|1,0,1]=4 3680 B10R1.10 [13CH3]OCc1cccc(c1)F 7a_100000210976_200025704644 [1,1,0,0,0,0|1,0,1]=4 3681 B10R1.10 [13CH3]OCc1cccc(c1)I 34a_100011215336_200025704644 [1,1,0,0,0,0|1,0,1]=4 3682 B10R1.10 [13CH3]OCc1cccc(c1)I 7a_100011215336_200025704644 [1,1,0,0,0,0|1,0,1]=4 3683 B10R1.10 [13CH3]OCc1cccc(c1)N 34a_100000211919_200025704644 [1,1,0,0,0,0|1,0,1]=4 3684 B10R1.10 [13CH3]SCc1cccc(c1)Br 62a_100000211773_200025704644 [1,1,0,0,0,0|1,0,1]=4 3685 B10R1.10 [13CH3]SCc1cccc(c1)Br 62a_200025704644_100000211773 [1,1,0,0,0,0|1,0,1]=4 3686 B10R1.10 [13CH3]SCc1cccc(c1)Cl 62a_100000187163_200025704644 [1,1,0,0,0,0|1,0,1]=4 3687 B10R1.10 [13CH3]SCc1cccc(c1)Cl 62a_200025704644_100000187163 [1,1,0,0,0,0|1,0,1]=4 3688 B10R1.10 [13CH3]SCc1cccc(c1)F 62a_100000230114_200025704644 [1,1,0,0,0,0|1,0,1]=4 3689 B10R1.10 [13CH3]SCc1cccc(c1)F 62a_200025704644_100000230114 [1,1,0,0,0,0|1,0,1]=4 3690 B10R1.10 [13CH3]SCc1cccc(c1)I 62a_100011218688_200025704644 [1,1,0,0,0,0|1,0,1]=4 3691 B10R1.10 [13CH3]SCc1cccc(c1)I 62a_200025704644_100011218688 [1,1,0,0,0,0|1,0,1]=4 3692 B10R1.10 [13CH3]SCc1cccc(c1)O 62a_100011660834_200025704644 [1,1,0,0,0,0|1,0,1]=4 3693 B10R1.10 [13CH3]SCc1cccc(c1)O 62a_200025704644_100011660834 [1,1,0,0,0,0|1,0,1]=4 3694 B10R1.10 [O-][n+]1cccc(c1)OCF 34a_100000039713_100015361967 [1,1,0,0,0,0|2,0,0]=4 3695 B10R1.10 [O-][n+]1cccc(c1)OCF 7a_100000039713_100015361967 [1,1,0,0,0,0|2,0,0]=4 3696 B10R1.15 CC(S[13CH3])c1ccccc1 62a_100000230085_200025704644 [1,1,0,0,0,0|1,0,1]=4 3697 B10R1.15 CC(S[13CH3])c1ccccc1 62a_200025704644_100000230085 [1,1,0,0,0,0|1,0,1]=4 3698 B10R1.15 CCC(=O)c1ccccc1 1458a_100000185807_100000210202 [1,1,0,0,0,0|1,0,1]=4 3699 B10R1.15 CCN(C)c1ccccc1 2230a_100000210012_100000210202 [1,1,0,0,0,0|1,0,1]=4 3700 B10R1.15 CCN(C)c1ccccc1 2230a_100000210013_200000210301 [1,1,0,0,0,0|1,0,1]=4 3701 B10R1.15 CCN(C)c1ccccc1 269982a_100000210012_100000204670 [1,1,0,0,0,0|1,0,1]=4 3702 B10R1.15 CCN(C)c1ccccc1 269982a_100000210013_200000210301 [1,1,0,0,0,0|1,0,1]=4 3703 B10R1.15 CCN(C)c1ccccc1 34a_100000210012_100000210202 [1,1,0,0,0,0|1,0,1]=4 3704 B10R1.15 CCN(C)c1ccccc1 34a_100000210013_200000210301 [1,1,0,0,0,0|1,0,1]=4 3705 B10R1.15 CCN([13CH3])c1ccccc1 2230a_100000210013_200025704644 [1,1,0,0,0,0|1,0,1]=4 3706 B10R1.15 CCN([13CH3])c1ccccc1 269982a_100000210013_200025704644 [1,1,0,0,0,0|1,0,1]=4 3707 B10R1.15 CCN([13CH3])c1ccccc1 34a_100000210013_200025704644 [1,1,0,0,0,0|1,0,1]=4 3708 B10R1.15 CN(CF)c1ccccc1 269982a_100000210012_100015361967 [1,1,0,0,0,0|2,0,0]=4 3709 B10R1.15 CN(CF)c1ccccc1 34a_100000210012_100015361967 [1,1,0,0,0,0|2,0,0]=4 3710 B10R1.15 CNC(C)c1ccccc1 2230a_106832991635_100000230085 [1,1,0,0,0,0|1,0,1]=4 3711 B10R1.15 CNC(C)c1ccccc1 269862a_106832991636_100000185851 [1,1,0,0,0,0|1,0,1]=4 3712 B10R1.15 CNC(C)c1ccccc1 34a_100102657272_100000211855 [1,1,0,0,0,0|1,0,1]=4 3713 B10R1.15 CNC(C)c1ccccc1 7a_106832991635_100000230085 [1,1,0,0,0,0|1,0,1]=4 3714 B10R1.15 CN[C@H](C)c1ccccc1 2230a_100000751104_200000210301 [1,1,0,0,0,0|1,0,1]=4 3715 B10R1.15 COC(C)c1ccccc1 34a_100138415774_100000211855 [1,1,0,0,0,0|1,0,1]=4 3716 B10R1.15 CO[C@H](C)c1ccccc1 34a_100000761318_200000210301 [1,1,0,0,0,0|1,0,1]=4 3717 B10R1.15 CO[C@H](C)c1ccccc1 7a_100000761318_200000210301 [1,1,0,0,0,0|1,0,1]=4 3718 B10R1.15 CSC(C)c1ccccc1 62a_100000230085_200000210301 [1,1,0,0,0,0|1,0,1]=4 3719 B10R1.15 CSC(C)c1ccccc1 62a_200000210301_100000230085 [1,1,0,0,0,0|1,0,1]=4 3720 B10R1.15 C[C@@H](N[13CH3])c1ccccc1 2230a_100000751104_200025704644 [1,1,0,0,0,0|1,0,1]=4 3721 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 34a_100000761318_200025704644 [1,1,0,0,0,0|1,0,1]=4 3722 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 7a_100000761318_200025704644 [1,1,0,0,0,0|1,0,1]=4 3723 B10R1.15 O=C(CF)c1ccccc1 1458a_100000185807_100015361967 [1,1,0,0,0,0|2,0,0]=4 3724 B10R1.18 CC(=Cc1ccccc1)C 271570a_100102525489_100000210277 [1,1,0,0,0,0|0,0,2]=4 3725 B10R1.18 CC(=O)C[n+]1ccccc1 1458a_200000086051_200000210301 [1,1,0,0,0,0|1,0,1]=4 3726 B10R1.18 CC(=O)Cc1ccccc1 1458a_100000070787_100015291786 [1,1,0,0,0,0|0,0,1]=3 3727 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000070787_100000721315 [1,1,0,0,0,0|1,0,1]=4 3728 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000233486_200000210301 [1,1,0,0,0,0|1,0,1]=4 3729 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000070787_100000733263 [1,1,0,0,0,0|1,0,1]=4 3730 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000737805_200000210301 [1,1,0,0,0,0|1,0,1]=4 3731 B10R1.18 CC(=O)Cc1ccncc1 1458a_100000070787_100000705612 [1,1,0,0,0,0|1,0,1]=4 3732 B10R1.18 CC(=O)Nc1ccccc1 11a_100000106764_100015343762 [1,1,0,0,0,0|1,0,1]=4 3733 B10R1.18 CC(=O)Nc1ccccc1 1626a_100000106764_100015343762 [1,1,0,0,0,0|1,0,1]=4 3734 B10R1.18 CC(=O)Nc1ccccc1 22a_100000106764_100000070787 [1,1,0,0,0,0|1,0,1]=4 3735 B10R1.18 CC(=O)Nc1ccccc1 527a_100000106764_100103153847 [1,1,0,0,0,0|1,0,1]=4 3736 B10R1.18 CC(C)Nc1ccccc1 34a_100000106764_100000210206 [1,1,0,0,0,0|1,0,1]=4 3737 B10R1.18 CC(C)Oc1ccccc1 34a_100000210340_100000210206 [1,1,0,0,0,0|0,0,1]=3 3738 B10R1.18 CC(C)Oc1ccccc1 7a_100000210340_100000210206 [1,1,0,0,0,0|0,0,1]=3 3739 B10R1.18 CC(C)Oc1cccnc1 34a_100000210849_100000210206 [1,1,0,0,0,0|1,0,1]=4 3740 B10R1.18 CC(C)Oc1cccnc1 7a_100000210849_100000210206 [1,1,0,0,0,0|1,0,1]=4 3741 B10R1.18 CC(C)Oc1ccncc1 34a_100000212176_100000210206 [1,1,0,0,0,0|1,0,1]=4 3742 B10R1.18 CC(C)Sc1ccccc1 62a_100000210206_100000041952 [1,1,0,0,0,0|0,1,1]=4 3743 B10R1.18 CC(C)Sc1ccccc1 62a_100000719477_100000210206 [1,1,0,0,0,0|0,1,1]=4 3744 B10R1.18 CN(C)Cc1ccccc1 2230a_100000186898_200000210301 [1,1,0,0,0,0|1,0,1]=4 3745 B10R1.18 CN(C)Cc1ccccc1 2230a_100102631434_100015291786 [1,1,0,0,0,0|1,0,1]=4 3746 B10R1.18 CN(C)Cc1ccccc1 269982a_100000186898_200000210301 [1,1,0,0,0,0|1,0,1]=4 3747 B10R1.18 CN(C)Cc1ccccc1 269982a_100102631434_100000211182 [1,1,0,0,0,0|1,0,1]=4 3748 B10R1.18 CN(C)Cc1ccccc1 270004a_100102631434_100015611070 [1,1,0,0,0,0|1,0,1]=4 3749 B10R1.18 CN([13CH3])Cc1ccccc1 2230a_100000186898_200025704644 [1,1,0,0,0,0|1,0,1]=4 3750 B10R1.18 CN([13CH3])Cc1ccccc1 269982a_100000186898_200025704644 [1,1,0,0,0,0|1,0,1]=4 3751 B10R1.18 [13CH3]C(=O)C[n+]1ccccc1 1458a_200000086051_200025704644 [1,1,0,0,0,0|1,0,1]=4 3752 B10R1.18 [13CH3]C(=O)Cc1ccccn1 1458a_100000233486_200025704644 [1,1,0,0,0,0|1,0,1]=4 3753 B10R1.18 [13CH3]C(=O)Cc1cccnc1 1458a_100000737805_200025704644 [1,1,0,0,0,0|1,0,1]=4 3754 B10R1.16 C=CCOc1ccn(n1)C 34a_100012642153_100015514636 [0,1,0,0,1,0|2,0,0]=4 3755 B10R1.16 C=CCOc1cnn(c1)C 34a_100000707646_100015514636 [0,1,0,0,1,0|2,0,0]=4 3756 B10R1.16 C=CCSc1cc(cs1)C 62a_100000210623_100009876951 [0,1,0,0,1,0|1,1,0]=4 3757 B10R1.16 C=CCSc1cc(cs1)C 62a_100009876951_100000210623 [0,1,0,0,1,0|1,1,0]=4 3758 B10R1.16 C=CCSc1ccc(s1)Br 62a_100000210623_100010197418 [0,1,0,0,1,0|1,1,0]=4 3759 B10R1.16 C=CCSc1ccc(s1)Br 62a_100010197418_100000210623 [0,1,0,0,1,0|1,1,0]=4 3760 B10R1.16 C=CCSc1ccc(s1)C 62a_100000031368_100000210623 [0,1,0,0,1,0|1,1,0]=4 3761 B10R1.16 C=CCSc1ccc(s1)C 62a_100000210623_100000031368 [0,1,0,0,1,0|1,1,0]=4 3762 B10R1.16 C=CCSc1csc(c1)C 62a_100000210623_100000759034 [0,1,0,0,1,0|1,1,0]=4 3763 B10R1.16 C=CCSc1csc(c1)C 62a_100000759034_100000210623 [0,1,0,0,1,0|1,1,0]=4 3764 B10R1.21 C/C=C/COc1ccsc1 34a_100000106738_100102629194 [0,1,0,0,1,0|1,0,0]=3 3765 B10R1.21 C/C=C/COc1ccsc1 7a_100000106738_100102629194 [0,1,0,0,1,0|1,0,0]=3 3766 B10R1.21 C/C=C/CSc1ccco1 62a_100009814098_100102629194 [0,1,0,0,1,0|1,1,0]=4 3767 B10R1.21 C/C=C/CSc1ccco1 62a_100102629194_100009814098 [0,1,0,0,1,0|1,1,0]=4 3768 B10R1.21 C/C=C/CSc1cccs1 62a_100011215356_100102629194 [0,1,0,0,1,0|1,1,0]=4 3769 B10R1.21 C/C=C/CSc1cccs1 62a_100102629194_100011215356 [0,1,0,0,1,0|1,1,0]=4 3770 B10R1.21 C/C=C/CSc1ccoc1 62a_100011215275_100102629194 [0,1,0,0,1,0|1,1,0]=4 3771 B10R1.21 C/C=C/CSc1ccoc1 62a_100102629194_100011215275 [0,1,0,0,1,0|1,1,0]=4 3772 B10R1.21 C/C=C/CSc1ccsc1 62a_100000738268_100102629194 [0,1,0,0,1,0|1,1,0]=4 3773 B10R1.21 C/C=C/CSc1ccsc1 62a_100102629194_100000738268 [0,1,0,0,1,0|1,1,0]=4 3774 B10R1.21 C=CCCOc1ccsc1 34a_100000106738_100000754431 [0,1,0,0,1,0|1,0,0]=3 3775 B10R1.21 C=CCCOc1ccsc1 7a_100000106738_100000754431 [0,1,0,0,1,0|1,0,0]=3 3776 B10R1.21 C=CCCSc1ccco1 62a_100000754431_100009814098 [0,1,0,0,1,0|1,1,0]=4 3777 B10R1.21 C=CCCSc1ccco1 62a_100009814098_100000754431 [0,1,0,0,1,0|1,1,0]=4 3778 B10R1.21 C=CCCSc1cccs1 62a_100000754431_100011215356 [0,1,0,0,1,0|1,1,0]=4 3779 B10R1.21 C=CCCSc1cccs1 62a_100011215356_100000754431 [0,1,0,0,1,0|1,1,0]=4 3780 B10R1.21 C=CCCSc1ccoc1 62a_100000754431_100011215275 [0,1,0,0,1,0|1,1,0]=4 3781 B10R1.21 C=CCCSc1ccoc1 62a_100011215275_100000754431 [0,1,0,0,1,0|1,1,0]=4 3782 B10R1.21 C=CCCSc1ccsc1 62a_100000738268_100000754431 [0,1,0,0,1,0|1,1,0]=4 3783 B10R1.21 C=CCCSc1ccsc1 62a_100000754431_100000738268 [0,1,0,0,1,0|1,1,0]=4 3784 B10R1.21 C=CCNCc1ccco1 2230a_100000185738_100000210623 [0,1,0,0,1,0|2,0,0]=4 3785 B10R1.21 C=CCNCc1ccco1 270004a_100020586998_100000186105 [0,1,0,0,1,0|2,0,0]=4 3786 B10R1.21 C=CCNCc1ccco1 34a_100000185738_100015514636 [0,1,0,0,1,0|2,0,0]=4 3787 B10R1.21 C=CCNCc1cccs1 2230a_100000211653_100000210623 [0,1,0,0,1,0|2,0,0]=4 3788 B10R1.21 C=CCNCc1cccs1 270004a_100020586998_100000209959 [0,1,0,0,1,0|2,0,0]=4 3789 B10R1.21 C=CCNCc1ccoc1 2230a_100015206860_100000210623 [0,1,0,0,1,0|2,0,0]=4 3790 B10R1.21 C=CCNCc1ccoc1 270004a_100020586998_100011215517 [0,1,0,0,1,0|2,0,0]=4 3791 B10R1.21 C=CCNCc1ccoc1 34a_100015206860_100015514636 [0,1,0,0,1,0|2,0,0]=4 3792 B10R1.21 C=CCNCc1ccsc1 2230a_100000186416_100000210623 [0,1,0,0,1,0|2,0,0]=4 3793 B10R1.21 C=CCNCc1ccsc1 2230a_100020586998_100011261437 [0,1,0,0,1,0|2,0,0]=4 3794 B10R1.21 C=CCNCc1ccsc1 270004a_100020586998_100000188534 [0,1,0,0,1,0|2,0,0]=4 3795 B10R1.21 C=CCNCc1ccsc1 34a_100000186416_100015514636 [0,1,0,0,1,0|2,0,0]=4 3796 B10R1.21 C=CCOCc1c[nH]cn1 34a_200000210373_100000707719 [0,1,0,0,1,0|2,0,0]=4 3797 B10R1.21 C=CCOCc1ccco1 34a_100000210059_100015514636 [0,1,0,0,1,0|1,0,0]=3 3798 B10R1.21 C=CCOCc1cccs1 34a_100000211240_100015514636 [0,1,0,0,1,0|1,0,0]=3 3799 B10R1.21 C=CCOCc1ccn[nH]1 34a_200000210373_100000728653 [0,1,0,0,1,0|2,0,0]=4 3800 B10R1.21 C=CCOCc1ccno1 34a_100000740478_100015514636 [0,1,0,0,1,0|2,0,0]=4 3801 B10R1.21 C=CCOCc1ccoc1 34a_100011215357_100015514636 [0,1,0,0,1,0|1,0,0]=3 3802 B10R1.21 C=CCOCc1ccon1 34a_200000210373_100000234950 [0,1,0,0,1,0|2,0,0]=4 3803 B10R1.21 C=CCOCc1ccsc1 34a_100011215551_100015514636 [0,1,0,0,1,0|1,0,0]=3 3804 B10R1.21 C=CCOCc1ccsc1 34a_200000210373_100011261437 [0,1,0,0,1,0|1,0,0]=3 3805 B10R1.21 C=CCOCc1cncs1 34a_200000210373_100015185245 [0,1,0,0,1,0|2,0,0]=4 3806 B10R1.21 C=CCOCc1cscn1 34a_200000210373_100000205941 [0,1,0,0,1,0|2,0,0]=4 3807 B10R1.21 C=CCOCc1ncc[nH]1 34a_200000210373_100016991755 [0,1,0,0,1,0|2,0,0]=4 3808 B10R1.21 C=CCOCc1ncco1 34a_100000062594_100015514636 [0,1,0,0,1,0|2,0,0]=4 3809 B10R1.21 C=CCOCc1ncco1 34a_200000210373_103436540062 [0,1,0,0,1,0|2,0,0]=4 3810 B10R1.21 C=CCOCc1nccs1 34a_200000210373_100015184050 [0,1,0,0,1,0|2,0,0]=4 3811 B10R1.21 C=CCOCn1cccn1 34a_100000731028_100015514636 [0,1,0,0,1,0|2,0,0]=4 3812 B10R1.21 C=CCSCc1ccsc1 62a_100000210623_100011233845 [0,1,0,0,1,0|1,1,0]=4 3813 B10R1.21 C=CCSCc1ccsc1 62a_100011261437_100000210623 [0,1,0,0,1,0|1,1,0]=4 3814 B10R1.21 CC=CCOc1ccsc1 34a_100000106738_100000070051 [0,1,0,0,1,0|1,0,0]=3 3815 B10R1.21 CC=CCOc1ccsc1 7a_100000106738_100000070051 [0,1,0,0,1,0|1,0,0]=3 3816 B10R1.21 CC=CCSc1ccco1 62a_100000070051_100009814098 [0,1,0,0,1,0|1,1,0]=4 3817 B10R1.21 CC=CCSc1ccco1 62a_100009814098_100000070051 [0,1,0,0,1,0|1,1,0]=4 3818 B10R1.21 CC=CCSc1cccs1 62a_100000070051_100011215356 [0,1,0,0,1,0|1,1,0]=4 3819 B10R1.21 CC=CCSc1cccs1 62a_100011215356_100000070051 [0,1,0,0,1,0|1,1,0]=4 3820 B10R1.21 CC=CCSc1ccoc1 62a_100000070051_100011215275 [0,1,0,0,1,0|1,1,0]=4 3821 B10R1.21 CC=CCSc1ccoc1 62a_100011215275_100000070051 [0,1,0,0,1,0|1,1,0]=4 3822 B10R1.21 CC=CCSc1ccsc1 62a_100000070051_100000738268 [0,1,0,0,1,0|1,1,0]=4 3823 B10R1.21 CC=CCSc1ccsc1 62a_100000738268_100000070051 [0,1,0,0,1,0|1,1,0]=4 3824 B10R1.21 O=CCOCc1ccco1 34a_100000210059_200009817547 [0,1,0,0,1,0|2,0,0]=4 3825 B10R1.21 O=CCOCc1cccs1 34a_100000211240_200009817547 [0,1,0,0,1,0|2,0,0]=4 3826 B10R1.21 O=CCOCc1ccoc1 34a_100011215357_200009817547 [0,1,0,0,1,0|2,0,0]=4 3827 B10R1.21 O=CCOCc1ccsc1 34a_100011215551_200009817547 [0,1,0,0,1,0|2,0,0]=4 3828 B10R1.27 C=CC(C)Sc1ccco1 62a_100011215867_100009814098 [0,1,0,0,1,0|1,1,0]=4 3829 B10R1.27 C=CC(C)Sc1cccs1 62a_100011215867_100011215356 [0,1,0,0,1,0|1,1,0]=4 3830 B10R1.27 C=CC(C)Sc1ccoc1 62a_100011215867_100011215275 [0,1,0,0,1,0|1,1,0]=4 3831 B10R1.27 C=CC(C)Sc1ccsc1 62a_100011215867_100000738268 [0,1,0,0,1,0|1,1,0]=4 3832 B10R1.29 C=CCOc1ccnn1C 34a_100020632926_100015514636 [0,1,0,0,1,0|2,0,0]=4 3833 B10R1.29 C=CCSc1ccsc1C 62a_100000210623_100000684487 [0,1,0,0,1,0|1,1,0]=4 3834 B10R1.29 C=CCSc1ccsc1C 62a_100000684487_100000210623 [0,1,0,0,1,0|1,1,0]=4 3835 B10R1.29 C=CCSc1cscc1Br 62a_100000210623_100010143727 [0,1,0,0,1,0|1,1,0]=4 3836 B10R1.29 C=CCSc1cscc1Br 62a_100010143727_100000210623 [0,1,0,0,1,0|1,1,0]=4 3837 B10R1.29 C=CCSc1cscc1C 62a_100000210623_100000759966 [0,1,0,0,1,0|1,1,0]=4 3838 B10R1.29 C=CCSc1cscc1C 62a_100000759966_100000210623 [0,1,0,0,1,0|1,1,0]=4 3839 B10R1.29 C=CCSc1sccc1Br 62a_100000210623_100012361411 [0,1,0,0,1,0|1,1,0]=4 3840 B10R1.29 C=CCSc1sccc1Br 62a_100012361411_100000210623 [0,1,0,0,1,0|1,1,0]=4 3841 B10R1.29 C=CCSc1sccc1C 62a_100000210623_100010247149 [0,1,0,0,1,0|1,1,0]=4 3842 B10R1.29 C=CCSc1sccc1C 62a_100010247149_100000210623 [0,1,0,0,1,0|1,1,0]=4 3843 B10R1.66 C=C(C)COc1ccsc1 34a_100000106738_100000748629 [0,1,0,0,1,0|1,0,0]=3 3844 B10R1.66 C=C(C)COc1ccsc1 7a_100000106738_100000748629 [0,1,0,0,1,0|1,0,0]=3 3845 B10R1.66 C=C(C)CSc1ccco1 62a_100000748629_100009814098 [0,1,0,0,1,0|1,1,0]=4 3846 B10R1.66 C=C(C)CSc1ccco1 62a_100009814098_100000211660 [0,1,0,0,1,0|1,1,0]=4 3847 B10R1.66 C=C(C)CSc1cccs1 62a_100000748629_100011215356 [0,1,0,0,1,0|1,1,0]=4 3848 B10R1.66 C=C(C)CSc1cccs1 62a_100011215356_100000211660 [0,1,0,0,1,0|1,1,0]=4 3849 B10R1.66 C=C(C)CSc1ccoc1 62a_100000748629_100011215275 [0,1,0,0,1,0|1,1,0]=4 3850 B10R1.66 C=C(C)CSc1ccoc1 62a_100011215275_100000211660 [0,1,0,0,1,0|1,1,0]=4 3851 B10R1.66 C=C(C)CSc1ccsc1 62a_100000738268_100000211660 [0,1,0,0,1,0|1,1,0]=4 3852 B10R1.66 C=C(C)CSc1ccsc1 62a_100000748629_100000738268 [0,1,0,0,1,0|1,1,0]=4 3853 B10R1.66 C=C(F)COc1ccsc1 34a_100000106738_100009893438 [0,1,0,0,1,0|1,0,0]=3 3854 B10R1.66 C=C(F)COc1ccsc1 7a_100000106738_100000042424 [0,1,0,0,1,0|1,0,0]=3 3855 B10R1.66 C=C(F)CSc1ccco1 62a_100000042424_100009814098 [0,1,0,0,1,0|1,1,0]=4 3856 B10R1.66 C=C(F)CSc1ccco1 62a_100009814098_100000042424 [0,1,0,0,1,0|1,1,0]=4 3857 B10R1.66 C=C(F)CSc1cccs1 62a_100000042424_100011215356 [0,1,0,0,1,0|1,1,0]=4 3858 B10R1.66 C=C(F)CSc1cccs1 62a_100011215356_100000042424 [0,1,0,0,1,0|1,1,0]=4 3859 B10R1.66 C=C(F)CSc1ccoc1 62a_100000042424_100011215275 [0,1,0,0,1,0|1,1,0]=4 3860 B10R1.66 C=C(F)CSc1ccoc1 62a_100011215275_100000042424 [0,1,0,0,1,0|1,1,0]=4 3861 B10R1.66 C=C(F)CSc1ccsc1 62a_100000042424_100000738268 [0,1,0,0,1,0|1,1,0]=4 3862 B10R1.66 C=C(F)CSc1ccsc1 62a_100000738268_100000042424 [0,1,0,0,1,0|1,1,0]=4 3863 B10R1.66 NC(=O)COc1ccsc1 34a_100000106738_100000187820 [0,1,0,0,1,0|2,0,0]=4 3864 B10R1.66 NC(=O)COc1ccsc1 7a_100000106738_100000187820 [0,1,0,0,1,0|2,0,0]=4 3865 B10R1.66 O=C([O-])COc1ccsc1 34a_100000106738_100020667443 [0,1,0,0,1,0|2,0,0]=4 3866 B12R1.18 C#CCOc1cccccc1=O 34a_100000036025_100000184674 [0,1,0,0,0,1|0,0,2]=4 3867 B12R1.18 C#CCOc1cccccc1=O 7a_100000036025_100000038162 [0,1,0,0,0,1|0,0,2]=4 3868 B12R1.18 C=CCOc1cccccc1=O 34a_100000036025_100015514636 [0,1,0,0,0,1|0,0,0]=2 3869 B12R1.18 C=CCOc1cccccc1=O 7a_100000036025_100015514636 [0,1,0,0,0,1|0,0,0]=2 3870 B12R1.18 CCCOc1cccccc1=O 34a_100000036025_100000210303 [0,1,0,0,0,1|0,0,2]=4 3871 B12R1.18 CCCOc1cccccc1=O 7a_100000036025_100000210303 [0,1,0,0,0,1|0,0,2]=4 3872 B12R1.18 CSCOc1cccccc1=O 34a_100000036025_100011218213 [0,1,0,0,0,1|1,0,1]=4 3873 B12R1.18 N#CCOc1cccccc1=O 7a_100000036025_100011215382 [0,1,0,0,0,1|1,0,1]=4 3874 B12R1.18 O=CCOc1cccccc1=O 34a_100000036025_200009817547 [0,1,0,0,0,1|1,0,0]=3 3875 B12R1.18 O=CCOc1cccccc1=O 7a_100000036025_200015260668 [0,1,0,0,0,1|1,0,0]=3 3876 B12R1.18 O=c1cccccc1OCCF 34a_100000036025_100011217306 [0,1,0,0,0,1|1,0,1]=4 3877 B12R1.18 O=c1cccccc1OCCF 7a_100000036025_100011217306 [0,1,0,0,0,1|1,0,1]=4 3878 B12R1.18 O=c1cccccc1OCCO 34a_100000036025_100000211926 [0,1,0,0,0,1|1,0,1]=4 3879 B12R1.18 O=c1cccccc1OCCO 7a_100000036025_100000211926 [0,1,0,0,0,1|1,0,1]=4 3880 B12R1.1 BrCCOCc1ccc(cc1)Br 34a_100000211926_100000189115 [0,2,0,0,0,0|1,0,1]=4 3881 B12R1.1 BrCCOCc1ccc(cc1)I 34a_100000211926_100000189116 [0,2,0,0,0,0|1,0,1]=4 3882 B12R1.1 C#CCCOc1ccc(cc1)Br 34a_100000185759_100000688953 [0,2,0,0,0,0|0,0,2]=4 3883 B12R1.1 C#CCCOc1ccc(cc1)Br 7a_100000185759_100000688953 [0,2,0,0,0,0|0,0,2]=4 3884 B12R1.1 C#CCCOc1ccc(cc1)C 34a_100000210336_100000688953 [0,2,0,0,0,0|0,0,2]=4 3885 B12R1.1 C#CCCOc1ccc(cc1)C 7a_100000210336_100000688953 [0,2,0,0,0,0|0,0,2]=4 3886 B12R1.1 C#CCCOc1ccc(cc1)Cl 34a_100000210216_100000688953 [0,2,0,0,0,0|0,0,2]=4 3887 B12R1.1 C#CCCOc1ccc(cc1)Cl 7a_100000210216_100000688953 [0,2,0,0,0,0|0,0,2]=4 3888 B12R1.1 C#CCCOc1ccc(cc1)F 34a_100000210339_100000688953 [0,2,0,0,0,0|0,0,2]=4 3889 B12R1.1 C#CCCOc1ccc(cc1)I 34a_100000212066_100000688953 [0,2,0,0,0,0|0,0,2]=4 3890 B12R1.1 C#CCCOc1ccc(cc1)I 7a_100000212066_100000688953 [0,2,0,0,0,0|0,0,2]=4 3891 B12R1.1 C#CCCOc1ccc(cc1)N 34a_100000185829_100000688953 [0,2,0,0,0,0|0,0,2]=4 3892 B12R1.1 C#CCOCc1ccc(cc1)Br 34a_100000210247_100000189115 [0,2,0,0,0,0|0,0,2]=4 3893 B12R1.1 C#CCOCc1ccc(cc1)Br 34a_100000695286_100000184674 [0,2,0,0,0,0|0,0,2]=4 3894 B12R1.1 C#CCOCc1ccc(cc1)C 34a_100000210247_100000210814 [0,2,0,0,0,0|0,0,2]=4 3895 B12R1.1 C#CCOCc1ccc(cc1)C 34a_100011215236_100000184674 [0,2,0,0,0,0|0,0,2]=4 3896 B12R1.1 C#CCOCc1ccc(cc1)C 7a_100011215236_100000038162 [0,2,0,0,0,0|0,0,2]=4 3897 B12R1.1 C#CCOCc1ccc(cc1)Cl 34a_100000210247_100000694040 [0,2,0,0,0,0|0,0,2]=4 3898 B12R1.1 C#CCOCc1ccc(cc1)Cl 34a_100000211118_100000184674 [0,2,0,0,0,0|0,0,2]=4 3899 B12R1.1 C#CCOCc1ccc(cc1)Cl 7a_100000211118_100000038162 [0,2,0,0,0,0|0,0,2]=4 3900 B12R1.1 C#CCOCc1ccc(cc1)F 34a_100000210247_100000198546 [0,2,0,0,0,0|0,0,2]=4 3901 B12R1.1 C#CCOCc1ccc(cc1)F 34a_100000210977_100000184674 [0,2,0,0,0,0|0,0,2]=4 3902 B12R1.1 C#CCOCc1ccc(cc1)F 7a_100000210977_100000038162 [0,2,0,0,0,0|0,0,2]=4 3903 B12R1.1 C#CCOCc1ccc(cc1)I 34a_100000210247_100000189116 [0,2,0,0,0,0|0,0,2]=4 3904 B12R1.1 C#CCOCc1ccc(cc1)I 34a_100000690907_100000184674 [0,2,0,0,0,0|0,0,2]=4 3905 B12R1.1 C#CCOCc1ccc(cc1)I 7a_100000690907_100000038162 [0,2,0,0,0,0|0,0,2]=4 3906 B12R1.1 C#CCOCc1ccc(cc1)N 34a_100011215238_100000184674 [0,2,0,0,0,0|0,0,2]=4 3907 B12R1.1 C/C=C/CNc1ccc(cc1)Br 34a_100000210018_100102629194 [0,2,0,0,0,0|1,0,0]=3 3908 B12R1.1 C/C=C/CNc1ccc(cc1)C 34a_100000124888_100102629194 [0,2,0,0,0,0|1,0,0]=3 3909 B12R1.1 C/C=C/CNc1ccc(cc1)Cl 34a_100000210052_100102629194 [0,2,0,0,0,0|1,0,0]=3 3910 B12R1.1 C/C=C/CNc1ccc(cc1)F 34a_100000185862_100102629194 [0,2,0,0,0,0|1,0,0]=3 3911 B12R1.1 C/C=C/CNc1ccc(cc1)I 34a_100000185761_100102629194 [0,2,0,0,0,0|1,0,0]=3 3912 B12R1.1 C/C=C/CNc1ccc(cc1)O 34a_100000185829_100102629194 [0,2,0,0,0,0|1,0,0]=3 3913 B12R1.1 C/C=C/COc1ccc(=O)[nH]c1 34a_100000075641_100102629194 [0,2,0,0,0,0|1,0,0]=3 3914 B12R1.1 C/C=C/COc1ccc(cc1)Br 34a_100000185759_100102629194 [0,2,0,0,0,0|0,0,0]=2 3915 B12R1.1 C/C=C/COc1ccc(cc1)Br 7a_100000185759_100102629194 [0,2,0,0,0,0|0,0,0]=2 3916 B12R1.1 C/C=C/COc1ccc(cc1)C 34a_100000210336_100102629194 [0,2,0,0,0,0|0,0,0]=2 3917 B12R1.1 C/C=C/COc1ccc(cc1)C 7a_100000210336_100102629194 [0,2,0,0,0,0|0,0,0]=2 3918 B12R1.1 C/C=C/COc1ccc(cc1)Cl 34a_100000210216_100102629194 [0,2,0,0,0,0|0,0,0]=2 3919 B12R1.1 C/C=C/COc1ccc(cc1)Cl 7a_100000210216_100102629194 [0,2,0,0,0,0|0,0,0]=2 3920 B12R1.1 C/C=C/COc1ccc(cc1)F 34a_100000210339_100102629194 [0,2,0,0,0,0|0,0,0]=2 3921 B12R1.1 C/C=C/COc1ccc(cc1)I 34a_100000212066_100102629194 [0,2,0,0,0,0|0,0,0]=2 3922 B12R1.1 C/C=C/COc1ccc(cc1)I 7a_100000212066_100102629194 [0,2,0,0,0,0|0,0,0]=2 3923 B12R1.1 C/C=C/COc1ccc(cc1)N 34a_100000185829_100102629194 [0,2,0,0,0,0|0,0,0]=2 3924 B12R1.1 C/C=C/COc1ccc(cn1)C 34a_100000759353_100102629194 [0,2,0,0,0,0|1,0,0]=3 3925 B12R1.1 C/C=C/COc1ccc(cn1)Cl 34a_100011215309_100102629194 [0,2,0,0,0,0|1,0,0]=3 3926 B12R1.1 C/C=C/COc1ccc(cn1)F 34a_100000742473_100102629194 [0,2,0,0,0,0|1,0,0]=3 3927 B12R1.1 C/C=C/COc1ccc(cn1)N 34a_100000729260_100102629194 [0,2,0,0,0,0|1,0,0]=3 3928 B12R1.1 C/C=C/COc1ccc(nc1)Br 34a_100000685995_100102629194 [0,2,0,0,0,0|1,0,0]=3 3929 B12R1.1 C/C=C/COc1ccc(nc1)Br 7a_100000685995_100102629194 [0,2,0,0,0,0|1,0,0]=3 3930 B12R1.1 C/C=C/COc1ccc(nc1)C 34a_100000745506_100102629194 [0,2,0,0,0,0|1,0,0]=3 3931 B12R1.1 C/C=C/COc1ccc(nc1)C 7a_100000745506_100102629194 [0,2,0,0,0,0|1,0,0]=3 3932 B12R1.1 C/C=C/COc1ccc(nc1)Cl 34a_100000744096_100102629194 [0,2,0,0,0,0|1,0,0]=3 3933 B12R1.1 C/C=C/COc1ccc(nc1)Cl 7a_100000744096_100102629194 [0,2,0,0,0,0|1,0,0]=3 3934 B12R1.1 C/C=C/COc1ccc(nc1)F 34a_100000688820_100102629194 [0,2,0,0,0,0|1,0,0]=3 3935 B12R1.1 C/C=C/COc1ccc(nc1)F 7a_100000688820_100102629194 [0,2,0,0,0,0|1,0,0]=3 3936 B12R1.1 C/C=C/COc1ccc(nc1)I 34a_100000687607_100102629194 [0,2,0,0,0,0|1,0,0]=3 3937 B12R1.1 C/C=C/COc1ccc(nc1)I 7a_100000687607_100102629194 [0,2,0,0,0,0|1,0,0]=3 3938 B12R1.1 C/C=C/COc1ccc(nc1)N 34a_100015188713_100102629194 [0,2,0,0,0,0|1,0,0]=3 3939 B12R1.1 C/C=C/COc1ccc(nc1)N 7a_100015188713_100102629194 [0,2,0,0,0,0|1,0,0]=3 3940 B12R1.1 C/C=C/COc1cnc(cn1)Br 34a_100011934580_100102629194 [0,2,0,0,0,0|2,0,0]=4 3941 B12R1.1 C/C=C/COc1cnc(cn1)Cl 34a_100015839800_100102629194 [0,2,0,0,0,0|2,0,0]=4 3942 B12R1.1 C/C=C/COc1cnc(nc1)Br 34a_100000730009_100102629194 [0,2,0,0,0,0|2,0,0]=4 3943 B12R1.1 C/C=C/COc1cnc(nc1)Br 7a_100000730009_100102629194 [0,2,0,0,0,0|2,0,0]=4 3944 B12R1.1 C/C=C/COc1cnc(nc1)C 34a_100000062939_100102629194 [0,2,0,0,0,0|2,0,0]=4 3945 B12R1.1 C/C=C/COc1cnc(nc1)C 7a_100000062939_100102629194 [0,2,0,0,0,0|2,0,0]=4 3946 B12R1.1 C/C=C/COc1cnc(nc1)Cl 34a_100000092845_100102629194 [0,2,0,0,0,0|2,0,0]=4 3947 B12R1.1 C/C=C/COc1cnc(nc1)Cl 7a_100000092845_100102629194 [0,2,0,0,0,0|2,0,0]=4 3948 B12R1.1 C/C=C/COc1cnc(nc1)F 34a_200009874573_100102629194 [0,2,0,0,0,0|2,0,0]=4 3949 B12R1.1 C/C=C/COc1cnc(nc1)F 7a_200009874573_100102629194 [0,2,0,0,0,0|2,0,0]=4 3950 B12R1.1 C/C=C/COc1cnc(nc1)N 34a_100000087137_100102629194 [0,2,0,0,0,0|2,0,0]=4 3951 B12R1.1 C/C=C/COc1cnc(nc1)N 7a_100000087137_100102629194 [0,2,0,0,0,0|2,0,0]=4 3952 B12R1.1 C/C=C/COc1ncc(cn1)F 34a_100011934040_100102629194 [0,2,0,0,0,0|2,0,0]=4 3953 B12R1.1 C/C=C/CSc1cc[n+](cc1)[O-] 62a_100102629194_100000039755 [0,2,0,0,0,0|1,1,0]=4 3954 B12R1.1 C/C=C/CSc1ccc(=O)[nH]c1 62a_100000212171_100102629194 [0,2,0,0,0,0|1,1,0]=4 3955 B12R1.1 C/C=C/CSc1ccc(=O)[nH]c1 62a_100102629194_100000212171 [0,2,0,0,0,0|1,1,0]=4 3956 B12R1.1 C/C=C/CSc1ccc(cc1)Br 62a_100000752885_100102629194 [0,2,0,0,0,0|0,1,0]=3 3957 B12R1.1 C/C=C/CSc1ccc(cc1)Br 62a_100102629194_100000752885 [0,2,0,0,0,0|0,1,0]=3 3958 B12R1.1 C/C=C/CSc1ccc(cc1)C 62a_100000186775_100102629194 [0,2,0,0,0,0|0,1,0]=3 3959 B12R1.1 C/C=C/CSc1ccc(cc1)C 62a_100102629194_100000186775 [0,2,0,0,0,0|0,1,0]=3 3960 B12R1.1 C/C=C/CSc1ccc(cc1)Cl 62a_100000755918_100102629194 [0,2,0,0,0,0|0,1,0]=3 3961 B12R1.1 C/C=C/CSc1ccc(cc1)Cl 62a_100102629194_100000755918 [0,2,0,0,0,0|0,1,0]=3 3962 B12R1.1 C/C=C/CSc1ccc(cc1)F 62a_100000211213_100102629194 [0,2,0,0,0,0|0,1,0]=3 3963 B12R1.1 C/C=C/CSc1ccc(cc1)F 62a_100102629194_100000211213 [0,2,0,0,0,0|0,1,0]=3 3964 B12R1.1 C/C=C/CSc1ccc(cc1)N 62a_100000185761_100102629194 [0,2,0,0,0,0|0,1,0]=3 3965 B12R1.1 C/C=C/CSc1ccc(cc1)N 62a_100102629194_100000185761 [0,2,0,0,0,0|0,1,0]=3 3966 B12R1.1 C/C=C/CSc1ccc(cc1)O 62a_100102629194_100000185759 [0,2,0,0,0,0|0,1,0]=3 3967 B12R1.1 C/C=C/CSc1ccc(cn1)Br 62a_100000686858_100102629194 [0,2,0,0,0,0|1,1,0]=4 3968 B12R1.1 C/C=C/CSc1ccc(cn1)Br 62a_100102629194_100000686858 [0,2,0,0,0,0|1,1,0]=4 3969 B12R1.1 C/C=C/CSc1ccc(cn1)C 62a_100011192072_100102629194 [0,2,0,0,0,0|1,1,0]=4 3970 B12R1.1 C/C=C/CSc1ccc(cn1)C 62a_100102629194_100000754016 [0,2,0,0,0,0|1,1,0]=4 3971 B12R1.1 C/C=C/CSc1ccc(cn1)Cl 62a_100011356976_100102629194 [0,2,0,0,0,0|1,1,0]=4 3972 B12R1.1 C/C=C/CSc1ccc(cn1)Cl 62a_100102629194_100011356976 [0,2,0,0,0,0|1,1,0]=4 3973 B12R1.1 C/C=C/CSc1ccc(cn1)F 62a_100000744514_100102629194 [0,2,0,0,0,0|1,1,0]=4 3974 B12R1.1 C/C=C/CSc1ccc(cn1)F 62a_100102629194_100000744514 [0,2,0,0,0,0|1,1,0]=4 3975 B12R1.1 C/C=C/CSc1ccc(cn1)N 62a_100000737798_100102629194 [0,2,0,0,0,0|1,1,0]=4 3976 B12R1.1 C/C=C/CSc1ccc(cn1)N 62a_100102629194_100000737798 [0,2,0,0,0,0|1,1,0]=4 3977 B12R1.1 C/C=C/CSc1ccc(cn1)O 62a_100000685995_100102629194 [0,2,0,0,0,0|1,1,0]=4 3978 B12R1.1 C/C=C/CSc1ccc(cn1)O 62a_100102629194_100000744096 [0,2,0,0,0,0|1,1,0]=4 3979 B12R1.1 C/C=C/CSc1ccc(nc1)Br 62a_100009814638_100102629194 [0,2,0,0,0,0|1,1,0]=4 3980 B12R1.1 C/C=C/CSc1ccc(nc1)Br 62a_100102629194_100009814638 [0,2,0,0,0,0|1,1,0]=4 3981 B12R1.1 C/C=C/CSc1ccc(nc1)C 62a_100000751577_100102629194 [0,2,0,0,0,0|1,1,0]=4 3982 B12R1.1 C/C=C/CSc1ccc(nc1)C 62a_100102629194_100000751577 [0,2,0,0,0,0|1,1,0]=4 3983 B12R1.1 C/C=C/CSc1ccc(nc1)Cl 62a_100000034144_100102629194 [0,2,0,0,0,0|1,1,0]=4 3984 B12R1.1 C/C=C/CSc1ccc(nc1)Cl 62a_100102629194_100000034144 [0,2,0,0,0,0|1,1,0]=4 3985 B12R1.1 C/C=C/CSc1ccc(nc1)F 62a_100000042367_100102629194 [0,2,0,0,0,0|1,1,0]=4 3986 B12R1.1 C/C=C/CSc1ccc(nc1)F 62a_100102629194_100000042367 [0,2,0,0,0,0|1,1,0]=4 3987 B12R1.1 C/C=C/CSc1ccc(nc1)N 62a_100000187370_100102629194 [0,2,0,0,0,0|1,1,0]=4 3988 B12R1.1 C/C=C/CSc1ccc(nc1)N 62a_100102629194_100000187370 [0,2,0,0,0,0|1,1,0]=4 3989 B12R1.1 C=CCCNc1ccc(cc1)Br 2230a_100000210018_100000754431 [0,2,0,0,0,0|1,0,0]=3 3990 B12R1.1 C=CCCNc1ccc(cc1)Br 34a_100000210018_100000754431 [0,2,0,0,0,0|1,0,0]=3 3991 B12R1.1 C=CCCNc1ccc(cc1)C 34a_100000124888_100000754431 [0,2,0,0,0,0|1,0,0]=3 3992 B12R1.1 C=CCCNc1ccc(cc1)Cl 2230a_100000210052_100000754431 [0,2,0,0,0,0|1,0,0]=3 3993 B12R1.1 C=CCCNc1ccc(cc1)Cl 34a_100000210052_100000754431 [0,2,0,0,0,0|1,0,0]=3 3994 B12R1.1 C=CCCNc1ccc(cc1)F 34a_100000185862_100000754431 [0,2,0,0,0,0|1,0,0]=3 3995 B12R1.1 C=CCCNc1ccc(cc1)I 34a_100000185761_100000754431 [0,2,0,0,0,0|1,0,0]=3 3996 B12R1.1 C=CCCNc1ccc(cc1)O 34a_100000185829_100000754431 [0,2,0,0,0,0|1,0,0]=3 3997 B12R1.1 C=CCCNc1ccc(cn1)Br 27a_100015191253_100000686858 [0,2,0,0,0,0|2,0,0]=4 3998 B12R1.1 C=CCCOc1ccc(=O)[nH]c1 34a_100000075641_100000754431 [0,2,0,0,0,0|1,0,0]=3 3999 B12R1.1 C=CCCOc1ccc(cc1)Br 34a_100000185759_100000754431 [0,2,0,0,0,0|0,0,0]=2 4000 B12R1.1 C=CCCOc1ccc(cc1)Br 7a_100000185759_100000754431 [0,2,0,0,0,0|0,0,0]=2 4001 B12R1.1 C=CCCOc1ccc(cc1)C 34a_100000210336_100000754431 [0,2,0,0,0,0|0,0,0]=2 4002 B12R1.1 C=CCCOc1ccc(cc1)C 7a_100000210336_100000754431 [0,2,0,0,0,0|0,0,0]=2 4003 B12R1.1 C=CCCOc1ccc(cc1)Cl 34a_100000210216_100000754431 [0,2,0,0,0,0|0,0,0]=2 4004 B12R1.1 C=CCCOc1ccc(cc1)Cl 7a_100000210216_100000754431 [0,2,0,0,0,0|0,0,0]=2 4005 B12R1.1 C=CCCOc1ccc(cc1)F 34a_100000210339_100000754431 [0,2,0,0,0,0|0,0,0]=2 4006 B12R1.1 C=CCCOc1ccc(cc1)I 34a_100000212066_100000754431 [0,2,0,0,0,0|0,0,0]=2 4007 B12R1.1 C=CCCOc1ccc(cc1)I 7a_100000212066_100000754431 [0,2,0,0,0,0|0,0,0]=2 4008 B12R1.1 C=CCCOc1ccc(cc1)N 34a_100000185829_100000754431 [0,2,0,0,0,0|0,0,0]=2 4009 B12R1.1 C=CCCOc1ccc(cc1)O 271570a_203496583355_100012049633 [0,2,0,0,0,0|0,0,0]=2 4010 B12R1.1 C=CCCOc1ccc(cn1)C 34a_100000759353_100000754431 [0,2,0,0,0,0|1,0,0]=3 4011 B12R1.1 C=CCCOc1ccc(cn1)Cl 34a_100011215309_100000754431 [0,2,0,0,0,0|1,0,0]=3 4012 B12R1.1 C=CCCOc1ccc(cn1)F 34a_100000742473_100000754431 [0,2,0,0,0,0|1,0,0]=3 4013 B12R1.1 C=CCCOc1ccc(cn1)N 34a_100000729260_100000754431 [0,2,0,0,0,0|1,0,0]=3 4014 B12R1.1 C=CCCOc1ccc(nc1)Br 34a_100000685995_100000754431 [0,2,0,0,0,0|1,0,0]=3 4015 B12R1.1 C=CCCOc1ccc(nc1)Br 7a_100000685995_100000754431 [0,2,0,0,0,0|1,0,0]=3 4016 B12R1.1 C=CCCOc1ccc(nc1)C 34a_100000745506_100000754431 [0,2,0,0,0,0|1,0,0]=3 4017 B12R1.1 C=CCCOc1ccc(nc1)C 7a_100000745506_100000754431 [0,2,0,0,0,0|1,0,0]=3 4018 B12R1.1 C=CCCOc1ccc(nc1)Cl 34a_100000744096_100000754431 [0,2,0,0,0,0|1,0,0]=3 4019 B12R1.1 C=CCCOc1ccc(nc1)Cl 7a_100000744096_100000754431 [0,2,0,0,0,0|1,0,0]=3 4020 B12R1.1 C=CCCOc1ccc(nc1)F 34a_100000688820_100000754431 [0,2,0,0,0,0|1,0,0]=3 4021 B12R1.1 C=CCCOc1ccc(nc1)F 7a_100000688820_100000754431 [0,2,0,0,0,0|1,0,0]=3 4022 B12R1.1 C=CCCOc1ccc(nc1)I 34a_100000687607_100000754431 [0,2,0,0,0,0|1,0,0]=3 4023 B12R1.1 C=CCCOc1ccc(nc1)I 7a_100000687607_100000754431 [0,2,0,0,0,0|1,0,0]=3 4024 B12R1.1 C=CCCOc1ccc(nc1)N 34a_100015188713_100000754431 [0,2,0,0,0,0|1,0,0]=3 4025 B12R1.1 C=CCCOc1ccc(nc1)N 7a_100015188713_100000754431 [0,2,0,0,0,0|1,0,0]=3 4026 B12R1.1 C=CCCOc1cnc(cn1)Br 34a_100011934580_100000754431 [0,2,0,0,0,0|2,0,0]=4 4027 B12R1.1 C=CCCOc1cnc(cn1)Cl 34a_100015839800_100000754431 [0,2,0,0,0,0|2,0,0]=4 4028 B12R1.1 C=CCCOc1cnc(nc1)Br 34a_100000730009_100000754431 [0,2,0,0,0,0|2,0,0]=4 4029 B12R1.1 C=CCCOc1cnc(nc1)Br 7a_100000730009_100000754431 [0,2,0,0,0,0|2,0,0]=4 4030 B12R1.1 C=CCCOc1cnc(nc1)C 34a_100000062939_100000754431 [0,2,0,0,0,0|2,0,0]=4 4031 B12R1.1 C=CCCOc1cnc(nc1)C 7a_100000062939_100000754431 [0,2,0,0,0,0|2,0,0]=4 4032 B12R1.1 C=CCCOc1cnc(nc1)Cl 34a_100000092845_100000754431 [0,2,0,0,0,0|2,0,0]=4 4033 B12R1.1 C=CCCOc1cnc(nc1)Cl 7a_100000092845_100000754431 [0,2,0,0,0,0|2,0,0]=4 4034 B12R1.1 C=CCCOc1cnc(nc1)F 34a_200009874573_100000754431 [0,2,0,0,0,0|2,0,0]=4 4035 B12R1.1 C=CCCOc1cnc(nc1)F 7a_200009874573_100000754431 [0,2,0,0,0,0|2,0,0]=4 4036 B12R1.1 C=CCCOc1cnc(nc1)N 34a_100000087137_100000754431 [0,2,0,0,0,0|2,0,0]=4 4037 B12R1.1 C=CCCOc1cnc(nc1)N 7a_100000087137_100000754431 [0,2,0,0,0,0|2,0,0]=4 4038 B12R1.1 C=CCCOc1ncc(cn1)F 34a_100011934040_100000754431 [0,2,0,0,0,0|2,0,0]=4 4039 B12R1.1 C=CCCSc1cc[n+](cc1)[O-] 62a_100000754431_100000039755 [0,2,0,0,0,0|1,1,0]=4 4040 B12R1.1 C=CCCSc1ccc(=O)[nH]c1 62a_100000212171_100000754431 [0,2,0,0,0,0|1,1,0]=4 4041 B12R1.1 C=CCCSc1ccc(=O)[nH]c1 62a_100000754431_100000212171 [0,2,0,0,0,0|1,1,0]=4 4042 B12R1.1 C=CCCSc1ccc(cc1)Br 62a_100000752885_100000754431 [0,2,0,0,0,0|0,1,0]=3 4043 B12R1.1 C=CCCSc1ccc(cc1)Br 62a_100000754431_100000752885 [0,2,0,0,0,0|0,1,0]=3 4044 B12R1.1 C=CCCSc1ccc(cc1)C 62a_100000186775_100000754431 [0,2,0,0,0,0|0,1,0]=3 4045 B12R1.1 C=CCCSc1ccc(cc1)C 62a_100000754431_100000186775 [0,2,0,0,0,0|0,1,0]=3 4046 B12R1.1 C=CCCSc1ccc(cc1)Cl 62a_100000754431_100000755918 [0,2,0,0,0,0|0,1,0]=3 4047 B12R1.1 C=CCCSc1ccc(cc1)Cl 62a_100000755918_100000754431 [0,2,0,0,0,0|0,1,0]=3 4048 B12R1.1 C=CCCSc1ccc(cc1)F 62a_100000211213_100000754431 [0,2,0,0,0,0|0,1,0]=3 4049 B12R1.1 C=CCCSc1ccc(cc1)F 62a_100000754431_100000211213 [0,2,0,0,0,0|0,1,0]=3 4050 B12R1.1 C=CCCSc1ccc(cc1)N 62a_100000185761_100000754431 [0,2,0,0,0,0|0,1,0]=3 4051 B12R1.1 C=CCCSc1ccc(cc1)N 62a_100000754431_100000185761 [0,2,0,0,0,0|0,1,0]=3 4052 B12R1.1 C=CCCSc1ccc(cc1)O 62a_100000754431_100000185759 [0,2,0,0,0,0|0,1,0]=3 4053 B12R1.1 C=CCCSc1ccc(cn1)Br 62a_100000686858_100000754431 [0,2,0,0,0,0|1,1,0]=4 4054 B12R1.1 C=CCCSc1ccc(cn1)Br 62a_100000754431_100000686858 [0,2,0,0,0,0|1,1,0]=4 4055 B12R1.1 C=CCCSc1ccc(cn1)C 62a_100000754431_100000754016 [0,2,0,0,0,0|1,1,0]=4 4056 B12R1.1 C=CCCSc1ccc(cn1)C 62a_100011192072_100000754431 [0,2,0,0,0,0|1,1,0]=4 4057 B12R1.1 C=CCCSc1ccc(cn1)Cl 62a_100000754431_100011356976 [0,2,0,0,0,0|1,1,0]=4 4058 B12R1.1 C=CCCSc1ccc(cn1)Cl 62a_100011356976_100000754431 [0,2,0,0,0,0|1,1,0]=4 4059 B12R1.1 C=CCCSc1ccc(cn1)F 62a_100000744514_100000754431 [0,2,0,0,0,0|1,1,0]=4 4060 B12R1.1 C=CCCSc1ccc(cn1)F 62a_100000754431_100000744514 [0,2,0,0,0,0|1,1,0]=4 4061 B12R1.1 C=CCCSc1ccc(cn1)N 62a_100000737798_100000754431 [0,2,0,0,0,0|1,1,0]=4 4062 B12R1.1 C=CCCSc1ccc(cn1)N 62a_100000754431_100000737798 [0,2,0,0,0,0|1,1,0]=4 4063 B12R1.1 C=CCCSc1ccc(cn1)O 62a_100000685995_100000754431 [0,2,0,0,0,0|1,1,0]=4 4064 B12R1.1 C=CCCSc1ccc(cn1)O 62a_100000754431_100000744096 [0,2,0,0,0,0|1,1,0]=4 4065 B12R1.1 C=CCCSc1ccc(nc1)Br 62a_100000754431_100009814638 [0,2,0,0,0,0|1,1,0]=4 4066 B12R1.1 C=CCCSc1ccc(nc1)Br 62a_100009814638_100000754431 [0,2,0,0,0,0|1,1,0]=4 4067 B12R1.1 C=CCCSc1ccc(nc1)C 62a_100000751577_100000754431 [0,2,0,0,0,0|1,1,0]=4 4068 B12R1.1 C=CCCSc1ccc(nc1)C 62a_100000754431_100000751577 [0,2,0,0,0,0|1,1,0]=4 4069 B12R1.1 C=CCCSc1ccc(nc1)Cl 62a_100000034144_100000754431 [0,2,0,0,0,0|1,1,0]=4 4070 B12R1.1 C=CCCSc1ccc(nc1)Cl 62a_100000754431_100000034144 [0,2,0,0,0,0|1,1,0]=4 4071 B12R1.1 C=CCCSc1ccc(nc1)F 62a_100000042367_100000754431 [0,2,0,0,0,0|1,1,0]=4 4072 B12R1.1 C=CCCSc1ccc(nc1)F 62a_100000754431_100000042367 [0,2,0,0,0,0|1,1,0]=4 4073 B12R1.1 C=CCCSc1ccc(nc1)N 62a_100000187370_100000754431 [0,2,0,0,0,0|1,1,0]=4 4074 B12R1.1 C=CCCSc1ccc(nc1)N 62a_100000754431_100000187370 [0,2,0,0,0,0|1,1,0]=4 4075 B12R1.1 C=CCNCc1ccc(cc1)Br 2230a_100000174875_100000210623 [0,2,0,0,0,0|1,0,0]=3 4076 B12R1.1 C=CCNCc1ccc(cc1)Br 2230a_100020586998_100011217064 [0,2,0,0,0,0|1,0,0]=3 4077 B12R1.1 C=CCNCc1ccc(cc1)Br 270004a_100020586998_100000186029 [0,2,0,0,0,0|1,0,0]=3 4078 B12R1.1 C=CCNCc1ccc(cc1)Br 34a_100000174875_100015514636 [0,2,0,0,0,0|1,0,0]=3 4079 B12R1.1 C=CCNCc1ccc(cc1)C 2230a_100000174908_100000210623 [0,2,0,0,0,0|1,0,0]=3 4080 B12R1.1 C=CCNCc1ccc(cc1)C 2230a_100020586998_100000210814 [0,2,0,0,0,0|1,0,0]=3 4081 B12R1.1 C=CCNCc1ccc(cc1)C 270004a_100020586998_100000211033 [0,2,0,0,0,0|1,0,0]=3 4082 B12R1.1 C=CCNCc1ccc(cc1)C 34a_100000174908_100015514636 [0,2,0,0,0,0|1,0,0]=3 4083 B12R1.1 C=CCNCc1ccc(cc1)Cl 2230a_100000174871_100000210623 [0,2,0,0,0,0|1,0,0]=3 4084 B12R1.1 C=CCNCc1ccc(cc1)Cl 2230a_100020586998_100000694040 [0,2,0,0,0,0|1,0,0]=3 4085 B12R1.1 C=CCNCc1ccc(cc1)Cl 270004a_100020586998_100000189385 [0,2,0,0,0,0|1,0,0]=3 4086 B12R1.1 C=CCNCc1ccc(cc1)Cl 34a_100000174871_100015514636 [0,2,0,0,0,0|1,0,0]=3 4087 B12R1.1 C=CCNCc1ccc(cc1)F 2230a_100000174882_100000210623 [0,2,0,0,0,0|1,0,0]=3 4088 B12R1.1 C=CCNCc1ccc(cc1)F 2230a_100020586998_100000198546 [0,2,0,0,0,0|1,0,0]=3 4089 B12R1.1 C=CCNCc1ccc(cc1)F 270004a_100020586998_100000210084 [0,2,0,0,0,0|1,0,0]=3 4090 B12R1.1 C=CCNCc1ccc(cc1)F 34a_100000174882_100015514636 [0,2,0,0,0,0|1,0,0]=3 4091 B12R1.1 C=CCNCc1ccc(cc1)I 2230a_100016989417_100000210623 [0,2,0,0,0,0|1,0,0]=3 4092 B12R1.1 C=CCNCc1ccc(cc1)I 2230a_100020586998_100000189116 [0,2,0,0,0,0|1,0,0]=3 4093 B12R1.1 C=CCNCc1ccc(cc1)I 34a_100016989417_100015514636 [0,2,0,0,0,0|1,0,0]=3 4094 B12R1.1 C=CCNCc1ccc(cc1)O 34a_100000185549_100015514636 [0,2,0,0,0,0|1,0,0]=3 4095 B12R1.1 C=CCNCc1ccc(cn1)Br 2230a_100020586998_100000702658 [0,2,0,0,0,0|2,0,0]=4 4096 B12R1.1 C=CCNCc1ccc(cn1)Br 270004a_100020586998_100000754260 [0,2,0,0,0,0|2,0,0]=4 4097 B12R1.1 C=CCNCc1ccc(cn1)Br 34a_100015188789_100015514636 [0,2,0,0,0,0|2,0,0]=4 4098 B12R1.1 C=CCNCc1ccc(cn1)C 2230a_100020586998_100000691093 [0,2,0,0,0,0|2,0,0]=4 4099 B12R1.1 C=CCNCc1ccc(cn1)C 270004a_100020586998_100000050478 [0,2,0,0,0,0|2,0,0]=4 4100 B12R1.1 C=CCNCc1ccc(cn1)C 34a_100015187455_100015514636 [0,2,0,0,0,0|2,0,0]=4 4101 B12R1.1 C=CCNCc1ccc(cn1)Cl 2230a_100020586998_100012066911 [0,2,0,0,0,0|2,0,0]=4 4102 B12R1.1 C=CCNCc1ccc(cn1)Cl 270004a_100020586998_100011361569 [0,2,0,0,0,0|2,0,0]=4 4103 B12R1.1 C=CCNCc1ccc(cn1)Cl 34a_100000697193_100015514636 [0,2,0,0,0,0|2,0,0]=4 4104 B12R1.1 C=CCNCc1ccc(cn1)F 2230a_100020586998_100000703193 [0,2,0,0,0,0|2,0,0]=4 4105 B12R1.1 C=CCNCc1ccc(cn1)F 270004a_100020586998_100011934744 [0,2,0,0,0,0|2,0,0]=4 4106 B12R1.1 C=CCNCc1ccc(cn1)F 34a_100020620131_100015514636 [0,2,0,0,0,0|2,0,0]=4 4107 B12R1.1 C=CCNCc1ccc(nc1)Br 2230a_100009817727_100000210623 [0,2,0,0,0,0|2,0,0]=4 4108 B12R1.1 C=CCNCc1ccc(nc1)Br 2230a_100020586998_100009831999 [0,2,0,0,0,0|2,0,0]=4 4109 B12R1.1 C=CCNCc1ccc(nc1)Br 34a_100009817727_100015514636 [0,2,0,0,0,0|2,0,0]=4 4110 B12R1.1 C=CCNCc1ccc(nc1)C 2230a_100020586998_100016987292 [0,2,0,0,0,0|2,0,0]=4 4111 B12R1.1 C=CCNCc1ccc(nc1)C 270004a_100020586998_100000743784 [0,2,0,0,0,0|2,0,0]=4 4112 B12R1.1 C=CCNCc1ccc(nc1)C 34a_100000740942_100015514636 [0,2,0,0,0,0|2,0,0]=4 4113 B12R1.1 C=CCNCc1ccc(nc1)Cl 2230a_100000735879_100000210623 [0,2,0,0,0,0|2,0,0]=4 4114 B12R1.1 C=CCNCc1ccc(nc1)Cl 2230a_100020586998_100000735431 [0,2,0,0,0,0|2,0,0]=4 4115 B12R1.1 C=CCNCc1ccc(nc1)Cl 34a_100000735879_100015514636 [0,2,0,0,0,0|2,0,0]=4 4116 B12R1.1 C=CCNCc1ccc(nc1)F 2230a_100000101913_100000210623 [0,2,0,0,0,0|2,0,0]=4 4117 B12R1.1 C=CCNCc1ccc(nc1)F 2230a_100020586998_100009820150 [0,2,0,0,0,0|2,0,0]=4 4118 B12R1.1 C=CCNCc1ccc(nc1)F 34a_100000101913_100015514636 [0,2,0,0,0,0|2,0,0]=4 4119 B12R1.1 C=CCNCc1ccc(nc1)O 2230a_100000757128_100000210623 [0,2,0,0,0,0|2,0,0]=4 4120 B12R1.1 C=CCOCc1cc[n+](cc1)C 34a_100009831711_100015514636 [0,2,0,0,0,0|1,0,0]=3 4121 B12R1.1 C=CCOCc1cc[n+](cc1)[O-] 34a_100000031831_100015514636 [0,2,0,0,0,0|1,0,0]=3 4122 B12R1.1 C=CCOCc1cc[n+](cc1)[O-] 7a_100000031831_100015514636 [0,2,0,0,0,0|1,0,0]=3 4123 B12R1.1 C=CCOCc1ccc(=O)[nH]c1 34a_100011999846_100015514636 [0,2,0,0,0,0|1,0,0]=3 4124 B12R1.1 C=CCOCc1ccc(cc1)Br 34a_100000695286_100015514636 [0,2,0,0,0,0|0,0,0]=2 4125 B12R1.1 C=CCOCc1ccc(cc1)Br 34a_200000210373_100000189115 [0,2,0,0,0,0|0,0,0]=2 4126 B12R1.1 C=CCOCc1ccc(cc1)C 34a_100011215236_100015514636 [0,2,0,0,0,0|0,0,0]=2 4127 B12R1.1 C=CCOCc1ccc(cc1)C 34a_200000210373_100000210814 [0,2,0,0,0,0|0,0,0]=2 4128 B12R1.1 C=CCOCc1ccc(cc1)C 7a_100011215236_100015514636 [0,2,0,0,0,0|0,0,0]=2 4129 B12R1.1 C=CCOCc1ccc(cc1)Cl 34a_100000211118_100015514636 [0,2,0,0,0,0|0,0,0]=2 4130 B12R1.1 C=CCOCc1ccc(cc1)Cl 34a_200000210373_100000694040 [0,2,0,0,0,0|0,0,0]=2 4131 B12R1.1 C=CCOCc1ccc(cc1)Cl 7a_100000211118_100015514636 [0,2,0,0,0,0|0,0,0]=2 4132 B12R1.1 C=CCOCc1ccc(cc1)F 34a_100000210977_100015514636 [0,2,0,0,0,0|0,0,0]=2 4133 B12R1.1 C=CCOCc1ccc(cc1)F 34a_200000210373_100000198546 [0,2,0,0,0,0|0,0,0]=2 4134 B12R1.1 C=CCOCc1ccc(cc1)F 7a_100000210977_100015514636 [0,2,0,0,0,0|0,0,0]=2 4135 B12R1.1 C=CCOCc1ccc(cc1)I 34a_100000690907_100015514636 [0,2,0,0,0,0|0,0,0]=2 4136 B12R1.1 C=CCOCc1ccc(cc1)I 34a_200000210373_100000189116 [0,2,0,0,0,0|0,0,0]=2 4137 B12R1.1 C=CCOCc1ccc(cc1)I 7a_100000690907_100015514636 [0,2,0,0,0,0|0,0,0]=2 4138 B12R1.1 C=CCOCc1ccc(cc1)N 34a_100011215238_100015514636 [0,2,0,0,0,0|0,0,0]=2 4139 B12R1.1 C=CCOCc1ccc(cn1)Br 34a_100000754261_100015514636 [0,2,0,0,0,0|1,0,0]=3 4140 B12R1.1 C=CCOCc1ccc(cn1)Br 34a_200000210373_100000702658 [0,2,0,0,0,0|1,0,0]=3 4141 B12R1.1 C=CCOCc1ccc(cn1)C 34a_100012001401_100015514636 [0,2,0,0,0,0|1,0,0]=3 4142 B12R1.1 C=CCOCc1ccc(cn1)C 34a_200000210373_100000691093 [0,2,0,0,0,0|1,0,0]=3 4143 B12R1.1 C=CCOCc1ccc(cn1)Cl 34a_100000703999_100015514636 [0,2,0,0,0,0|1,0,0]=3 4144 B12R1.1 C=CCOCc1ccc(cn1)Cl 34a_200000210373_100012066911 [0,2,0,0,0,0|1,0,0]=3 4145 B12R1.1 C=CCOCc1ccc(cn1)F 34a_100011999454_100015514636 [0,2,0,0,0,0|1,0,0]=3 4146 B12R1.1 C=CCOCc1ccc(cn1)F 34a_200000210373_100000703193 [0,2,0,0,0,0|1,0,0]=3 4147 B12R1.1 C=CCOCc1ccc(cn1)N 34a_100011998161_100015514636 [0,2,0,0,0,0|1,0,0]=3 4148 B12R1.1 C=CCOCc1ccc(nc1)Br 34a_100009816760_100015514636 [0,2,0,0,0,0|1,0,0]=3 4149 B12R1.1 C=CCOCc1ccc(nc1)Br 34a_200000210373_100009831999 [0,2,0,0,0,0|1,0,0]=3 4150 B12R1.1 C=CCOCc1ccc(nc1)Br 7a_100009816760_100015514636 [0,2,0,0,0,0|1,0,0]=3 4151 B12R1.1 C=CCOCc1ccc(nc1)C 34a_100011248133_100015514636 [0,2,0,0,0,0|1,0,0]=3 4152 B12R1.1 C=CCOCc1ccc(nc1)C 34a_200000210373_100016987292 [0,2,0,0,0,0|1,0,0]=3 4153 B12R1.1 C=CCOCc1ccc(nc1)Cl 34a_100000755211_100015514636 [0,2,0,0,0,0|1,0,0]=3 4154 B12R1.1 C=CCOCc1ccc(nc1)Cl 34a_200000210373_100000735431 [0,2,0,0,0,0|1,0,0]=3 4155 B12R1.1 C=CCOCc1ccc(nc1)Cl 7a_100000755211_100015514636 [0,2,0,0,0,0|1,0,0]=3 4156 B12R1.1 C=CCOCc1ccc(nc1)F 34a_100000079959_100015514636 [0,2,0,0,0,0|1,0,0]=3 4157 B12R1.1 C=CCOCc1ccc(nc1)F 34a_200000210373_100000099788 [0,2,0,0,0,0|1,0,0]=3 4158 B12R1.1 C=CCOCc1ccc(nc1)N 34a_100000704267_100015514636 [0,2,0,0,0,0|1,0,0]=3 4159 B12R1.1 C=CCOCc1ccc(nn1)Cl 34a_200000210373_100016992710 [0,2,0,0,0,0|2,0,0]=4 4160 B12R1.1 C=CCOCc1cnc(cn1)C 34a_100011273949_100015514636 [0,2,0,0,0,0|2,0,0]=4 4161 B12R1.1 C=CCOCc1cnc(cn1)Cl 34a_100012002382_100015514636 [0,2,0,0,0,0|2,0,0]=4 4162 B12R1.1 C=CCOCc1cnc(nc1)C 34a_100011746891_100015514636 [0,2,0,0,0,0|2,0,0]=4 4163 B12R1.1 C=CCOCc1cnc(nc1)Cl 34a_100009855073_100015514636 [0,2,0,0,0,0|2,0,0]=4 4164 B12R1.1 C=CCOCc1cnc(nc1)Cl 7a_100009855073_100015514636 [0,2,0,0,0,0|2,0,0]=4 4165 B12R1.1 C=CCOCc1ncc(cn1)Br 34a_200000210373_100010064664 [0,2,0,0,0,0|2,0,0]=4 4166 B12R1.1 C=CCOCc1ncc(cn1)C 34a_200000210373_100000685645 [0,2,0,0,0,0|2,0,0]=4 4167 B12R1.1 C=CCSCc1ccc(cc1)Br 62a_100000189115_100000210623 [0,2,0,0,0,0|0,1,0]=3 4168 B12R1.1 C=CCSCc1ccc(cc1)Br 62a_100000210623_100000189115 [0,2,0,0,0,0|0,1,0]=3 4169 B12R1.1 C=CCSCc1ccc(cc1)C 62a_100000210623_100000210814 [0,2,0,0,0,0|0,1,0]=3 4170 B12R1.1 C=CCSCc1ccc(cc1)C 62a_100000210814_100000210623 [0,2,0,0,0,0|0,1,0]=3 4171 B12R1.1 C=CCSCc1ccc(cc1)Cl 62a_100000187161_100000210623 [0,2,0,0,0,0|0,1,0]=3 4172 B12R1.1 C=CCSCc1ccc(cc1)Cl 62a_100000210623_100000187161 [0,2,0,0,0,0|0,1,0]=3 4173 B12R1.1 C=CCSCc1ccc(cc1)F 62a_100000198546_100000210623 [0,2,0,0,0,0|0,1,0]=3 4174 B12R1.1 C=CCSCc1ccc(cc1)F 62a_100000210623_100000187164 [0,2,0,0,0,0|0,1,0]=3 4175 B12R1.1 C=CCSCc1ccc(cc1)I 62a_100000189116_100000210623 [0,2,0,0,0,0|0,1,0]=3 4176 B12R1.1 C=CCSCc1ccc(cc1)I 62a_100000210623_100000189116 [0,2,0,0,0,0|0,1,0]=3 4177 B12R1.1 C=CCSCc1ccc(cn1)Br 62a_100000210623_100000702658 [0,2,0,0,0,0|1,1,0]=4 4178 B12R1.1 C=CCSCc1ccc(cn1)Br 62a_100000702658_100000210623 [0,2,0,0,0,0|1,1,0]=4 4179 B12R1.1 C=CCSCc1ccc(cn1)C 62a_100000210623_100000691093 [0,2,0,0,0,0|1,1,0]=4 4180 B12R1.1 C=CCSCc1ccc(cn1)C 62a_100000691093_100000210623 [0,2,0,0,0,0|1,1,0]=4 4181 B12R1.1 C=CCSCc1ccc(cn1)Cl 62a_100000210623_100000697101 [0,2,0,0,0,0|1,1,0]=4 4182 B12R1.1 C=CCSCc1ccc(cn1)Cl 62a_100012066911_100000210623 [0,2,0,0,0,0|1,1,0]=4 4183 B12R1.1 C=CCSCc1ccc(cn1)F 62a_100000210623_100000703193 [0,2,0,0,0,0|1,1,0]=4 4184 B12R1.1 C=CCSCc1ccc(cn1)F 62a_100000703193_100000210623 [0,2,0,0,0,0|1,1,0]=4 4185 B12R1.1 C=CCSCc1ccc(nc1)Br 62a_100000210623_100009831999 [0,2,0,0,0,0|1,1,0]=4 4186 B12R1.1 C=CCSCc1ccc(nc1)Br 62a_100009831999_100000210623 [0,2,0,0,0,0|1,1,0]=4 4187 B12R1.1 C=CCSCc1ccc(nc1)C 62a_100000210623_100016987292 [0,2,0,0,0,0|1,1,0]=4 4188 B12R1.1 C=CCSCc1ccc(nc1)C 62a_100016987292_100000210623 [0,2,0,0,0,0|1,1,0]=4 4189 B12R1.1 C=CCSCc1ccc(nc1)Cl 62a_100000210623_100000735431 [0,2,0,0,0,0|1,1,0]=4 4190 B12R1.1 C=CCSCc1ccc(nc1)Cl 62a_100000735431_100000210623 [0,2,0,0,0,0|1,1,0]=4 4191 B12R1.1 C=CCSCc1ccc(nc1)F 62a_100000210623_100000099788 [0,2,0,0,0,0|1,1,0]=4 4192 B12R1.1 C=CCSCc1ccc(nc1)F 62a_100009820150_100000210623 [0,2,0,0,0,0|1,1,0]=4 4193 B12R1.1 CC#CCOc1ccc(cc1)Br 34a_100000185759_100000748600 [0,2,0,0,0,0|0,0,2]=4 4194 B12R1.1 CC#CCOc1ccc(cc1)Br 7a_100000185759_100000748600 [0,2,0,0,0,0|0,0,2]=4 4195 B12R1.1 CC#CCOc1ccc(cc1)C 34a_100000210336_100000748600 [0,2,0,0,0,0|0,0,2]=4 4196 B12R1.1 CC#CCOc1ccc(cc1)C 7a_100000210336_100000748600 [0,2,0,0,0,0|0,0,2]=4 4197 B12R1.1 CC#CCOc1ccc(cc1)Cl 34a_100000210216_100000748600 [0,2,0,0,0,0|0,0,2]=4 4198 B12R1.1 CC#CCOc1ccc(cc1)Cl 7a_100000210216_100000748600 [0,2,0,0,0,0|0,0,2]=4 4199 B12R1.1 CC#CCOc1ccc(cc1)F 34a_100000210339_100000748600 [0,2,0,0,0,0|0,0,2]=4 4200 B12R1.1 CC#CCOc1ccc(cc1)I 34a_100000212066_100000748600 [0,2,0,0,0,0|0,0,2]=4 4201 B12R1.1 CC#CCOc1ccc(cc1)I 7a_100000212066_100000748600 [0,2,0,0,0,0|0,0,2]=4 4202 B12R1.1 CC#CCOc1ccc(cc1)N 34a_100000185829_100000748600 [0,2,0,0,0,0|0,0,2]=4 4203 B12R1.1 CC=CCNc1ccc(cc1)Br 2230a_100000210018_100000070051 [0,2,0,0,0,0|1,0,0]=3 4204 B12R1.1 CC=CCNc1ccc(cc1)Br 34a_100000210018_100000070051 [0,2,0,0,0,0|1,0,0]=3 4205 B12R1.1 CC=CCNc1ccc(cc1)C 34a_100000124888_100000070051 [0,2,0,0,0,0|1,0,0]=3 4206 B12R1.1 CC=CCNc1ccc(cc1)Cl 2230a_100000210052_100000070051 [0,2,0,0,0,0|1,0,0]=3 4207 B12R1.1 CC=CCNc1ccc(cc1)Cl 34a_100000210052_100000070051 [0,2,0,0,0,0|1,0,0]=3 4208 B12R1.1 CC=CCNc1ccc(cc1)F 34a_100000185862_100000070051 [0,2,0,0,0,0|1,0,0]=3 4209 B12R1.1 CC=CCNc1ccc(cc1)I 34a_100000185761_100000070051 [0,2,0,0,0,0|1,0,0]=3 4210 B12R1.1 CC=CCNc1ccc(cc1)O 34a_100000185829_100000070051 [0,2,0,0,0,0|1,0,0]=3 4211 B12R1.1 CC=CCOc1ccc(=O)[nH]c1 34a_100000075641_100000070051 [0,2,0,0,0,0|1,0,0]=3 4212 B12R1.1 CC=CCOc1ccc(cc1)Br 34a_100000185759_100000070051 [0,2,0,0,0,0|0,0,0]=2 4213 B12R1.1 CC=CCOc1ccc(cc1)Br 7a_100000185759_100000070051 [0,2,0,0,0,0|0,0,0]=2 4214 B12R1.1 CC=CCOc1ccc(cc1)C 34a_100000210336_100000070051 [0,2,0,0,0,0|0,0,0]=2 4215 B12R1.1 CC=CCOc1ccc(cc1)C 7a_100000210336_100000070051 [0,2,0,0,0,0|0,0,0]=2 4216 B12R1.1 CC=CCOc1ccc(cc1)Cl 34a_100000210216_100000070051 [0,2,0,0,0,0|0,0,0]=2 4217 B12R1.1 CC=CCOc1ccc(cc1)Cl 7a_100000210216_100000070051 [0,2,0,0,0,0|0,0,0]=2 4218 B12R1.1 CC=CCOc1ccc(cc1)F 34a_100000210339_100000070051 [0,2,0,0,0,0|0,0,0]=2 4219 B12R1.1 CC=CCOc1ccc(cc1)I 34a_100000212066_100000070051 [0,2,0,0,0,0|0,0,0]=2 4220 B12R1.1 CC=CCOc1ccc(cc1)I 7a_100000212066_100000070051 [0,2,0,0,0,0|0,0,0]=2 4221 B12R1.1 CC=CCOc1ccc(cc1)N 34a_100000185829_100000070051 [0,2,0,0,0,0|0,0,0]=2 4222 B12R1.1 CC=CCOc1ccc(cn1)C 34a_100000759353_100000070051 [0,2,0,0,0,0|1,0,0]=3 4223 B12R1.1 CC=CCOc1ccc(cn1)Cl 34a_100011215309_100000070051 [0,2,0,0,0,0|1,0,0]=3 4224 B12R1.1 CC=CCOc1ccc(cn1)F 34a_100000742473_100000070051 [0,2,0,0,0,0|1,0,0]=3 4225 B12R1.1 CC=CCOc1ccc(cn1)N 34a_100000729260_100000070051 [0,2,0,0,0,0|1,0,0]=3 4226 B12R1.1 CC=CCOc1ccc(nc1)Br 34a_100000685995_100000070051 [0,2,0,0,0,0|1,0,0]=3 4227 B12R1.1 CC=CCOc1ccc(nc1)Br 7a_100000685995_100000070051 [0,2,0,0,0,0|1,0,0]=3 4228 B12R1.1 CC=CCOc1ccc(nc1)C 34a_100000745506_100000070051 [0,2,0,0,0,0|1,0,0]=3 4229 B12R1.1 CC=CCOc1ccc(nc1)C 7a_100000745506_100000070051 [0,2,0,0,0,0|1,0,0]=3 4230 B12R1.1 CC=CCOc1ccc(nc1)Cl 34a_100000744096_100000070051 [0,2,0,0,0,0|1,0,0]=3 4231 B12R1.1 CC=CCOc1ccc(nc1)Cl 7a_100000744096_100000070051 [0,2,0,0,0,0|1,0,0]=3 4232 B12R1.1 CC=CCOc1ccc(nc1)F 34a_100000688820_100000070051 [0,2,0,0,0,0|1,0,0]=3 4233 B12R1.1 CC=CCOc1ccc(nc1)F 7a_100000688820_100000070051 [0,2,0,0,0,0|1,0,0]=3 4234 B12R1.1 CC=CCOc1ccc(nc1)I 34a_100000687607_100000070051 [0,2,0,0,0,0|1,0,0]=3 4235 B12R1.1 CC=CCOc1ccc(nc1)I 7a_100000687607_100000070051 [0,2,0,0,0,0|1,0,0]=3 4236 B12R1.1 CC=CCOc1ccc(nc1)N 34a_100015188713_100000070051 [0,2,0,0,0,0|1,0,0]=3 4237 B12R1.1 CC=CCOc1ccc(nc1)N 7a_100015188713_100000070051 [0,2,0,0,0,0|1,0,0]=3 4238 B12R1.1 CC=CCOc1cnc(cn1)Br 34a_100011934580_100000070051 [0,2,0,0,0,0|2,0,0]=4 4239 B12R1.1 CC=CCOc1cnc(cn1)Cl 34a_100015839800_100000070051 [0,2,0,0,0,0|2,0,0]=4 4240 B12R1.1 CC=CCOc1cnc(nc1)Br 34a_100000730009_100000070051 [0,2,0,0,0,0|2,0,0]=4 4241 B12R1.1 CC=CCOc1cnc(nc1)Br 7a_100000730009_100000070051 [0,2,0,0,0,0|2,0,0]=4 4242 B12R1.1 CC=CCOc1cnc(nc1)C 34a_100000062939_100000070051 [0,2,0,0,0,0|2,0,0]=4 4243 B12R1.1 CC=CCOc1cnc(nc1)C 7a_100000062939_100000070051 [0,2,0,0,0,0|2,0,0]=4 4244 B12R1.1 CC=CCOc1cnc(nc1)Cl 34a_100000092845_100000070051 [0,2,0,0,0,0|2,0,0]=4 4245 B12R1.1 CC=CCOc1cnc(nc1)Cl 7a_100000092845_100000070051 [0,2,0,0,0,0|2,0,0]=4 4246 B12R1.1 CC=CCOc1cnc(nc1)F 34a_200009874573_100000070051 [0,2,0,0,0,0|2,0,0]=4 4247 B12R1.1 CC=CCOc1cnc(nc1)F 7a_200009874573_100000070051 [0,2,0,0,0,0|2,0,0]=4 4248 B12R1.1 CC=CCOc1cnc(nc1)N 34a_100000087137_100000070051 [0,2,0,0,0,0|2,0,0]=4 4249 B12R1.1 CC=CCOc1cnc(nc1)N 7a_100000087137_100000070051 [0,2,0,0,0,0|2,0,0]=4 4250 B12R1.1 CC=CCOc1ncc(cn1)F 34a_100011934040_100000070051 [0,2,0,0,0,0|2,0,0]=4 4251 B12R1.1 CC=CCSc1cc[n+](cc1)[O-] 62a_100000070051_100000039755 [0,2,0,0,0,0|1,1,0]=4 4252 B12R1.1 CC=CCSc1ccc(=O)[nH]c1 62a_100000070051_100000212171 [0,2,0,0,0,0|1,1,0]=4 4253 B12R1.1 CC=CCSc1ccc(=O)[nH]c1 62a_100000212171_100000070051 [0,2,0,0,0,0|1,1,0]=4 4254 B12R1.1 CC=CCSc1ccc(cc1)Br 62a_100000070051_100000752885 [0,2,0,0,0,0|0,1,0]=3 4255 B12R1.1 CC=CCSc1ccc(cc1)Br 62a_100000752885_100000070051 [0,2,0,0,0,0|0,1,0]=3 4256 B12R1.1 CC=CCSc1ccc(cc1)C 62a_100000070051_100000186775 [0,2,0,0,0,0|0,1,0]=3 4257 B12R1.1 CC=CCSc1ccc(cc1)C 62a_100000186775_100000070051 [0,2,0,0,0,0|0,1,0]=3 4258 B12R1.1 CC=CCSc1ccc(cc1)Cl 62a_100000070051_100000755918 [0,2,0,0,0,0|0,1,0]=3 4259 B12R1.1 CC=CCSc1ccc(cc1)Cl 62a_100000755918_100000070051 [0,2,0,0,0,0|0,1,0]=3 4260 B12R1.1 CC=CCSc1ccc(cc1)F 62a_100000070051_100000211213 [0,2,0,0,0,0|0,1,0]=3 4261 B12R1.1 CC=CCSc1ccc(cc1)F 62a_100000211213_100000070051 [0,2,0,0,0,0|0,1,0]=3 4262 B12R1.1 CC=CCSc1ccc(cc1)N 62a_100000070051_100000185761 [0,2,0,0,0,0|0,1,0]=3 4263 B12R1.1 CC=CCSc1ccc(cc1)N 62a_100000185761_100000070051 [0,2,0,0,0,0|0,1,0]=3 4264 B12R1.1 CC=CCSc1ccc(cc1)O 62a_100000070051_100000185759 [0,2,0,0,0,0|0,1,0]=3 4265 B12R1.1 CC=CCSc1ccc(cn1)Br 62a_100000070051_100000686858 [0,2,0,0,0,0|1,1,0]=4 4266 B12R1.1 CC=CCSc1ccc(cn1)Br 62a_100000686858_100000070051 [0,2,0,0,0,0|1,1,0]=4 4267 B12R1.1 CC=CCSc1ccc(cn1)C 62a_100000070051_100000754016 [0,2,0,0,0,0|1,1,0]=4 4268 B12R1.1 CC=CCSc1ccc(cn1)C 62a_100011192072_100000070051 [0,2,0,0,0,0|1,1,0]=4 4269 B12R1.1 CC=CCSc1ccc(cn1)Cl 62a_100000070051_100011356976 [0,2,0,0,0,0|1,1,0]=4 4270 B12R1.1 CC=CCSc1ccc(cn1)Cl 62a_100011356976_100000070051 [0,2,0,0,0,0|1,1,0]=4 4271 B12R1.1 CC=CCSc1ccc(cn1)F 62a_100000070051_100000744514 [0,2,0,0,0,0|1,1,0]=4 4272 B12R1.1 CC=CCSc1ccc(cn1)F 62a_100000744514_100000070051 [0,2,0,0,0,0|1,1,0]=4 4273 B12R1.1 CC=CCSc1ccc(cn1)N 62a_100000070051_100000737798 [0,2,0,0,0,0|1,1,0]=4 4274 B12R1.1 CC=CCSc1ccc(cn1)N 62a_100000737798_100000070051 [0,2,0,0,0,0|1,1,0]=4 4275 B12R1.1 CC=CCSc1ccc(cn1)O 62a_100000070051_100000744096 [0,2,0,0,0,0|1,1,0]=4 4276 B12R1.1 CC=CCSc1ccc(cn1)O 62a_100000685995_100000070051 [0,2,0,0,0,0|1,1,0]=4 4277 B12R1.1 CC=CCSc1ccc(nc1)Br 62a_100000070051_100009814638 [0,2,0,0,0,0|1,1,0]=4 4278 B12R1.1 CC=CCSc1ccc(nc1)Br 62a_100009814638_100000070051 [0,2,0,0,0,0|1,1,0]=4 4279 B12R1.1 CC=CCSc1ccc(nc1)C 62a_100000070051_100000751577 [0,2,0,0,0,0|1,1,0]=4 4280 B12R1.1 CC=CCSc1ccc(nc1)C 62a_100000751577_100000070051 [0,2,0,0,0,0|1,1,0]=4 4281 B12R1.1 CC=CCSc1ccc(nc1)Cl 62a_100000034144_100000070051 [0,2,0,0,0,0|1,1,0]=4 4282 B12R1.1 CC=CCSc1ccc(nc1)Cl 62a_100000070051_100000034144 [0,2,0,0,0,0|1,1,0]=4 4283 B12R1.1 CC=CCSc1ccc(nc1)F 62a_100000042367_100000070051 [0,2,0,0,0,0|1,1,0]=4 4284 B12R1.1 CC=CCSc1ccc(nc1)F 62a_100000070051_100000042367 [0,2,0,0,0,0|1,1,0]=4 4285 B12R1.1 CC=CCSc1ccc(nc1)N 62a_100000070051_100000187370 [0,2,0,0,0,0|1,1,0]=4 4286 B12R1.1 CC=CCSc1ccc(nc1)N 62a_100000187370_100000070051 [0,2,0,0,0,0|1,1,0]=4 4287 B12R1.1 CCCCOc1ccc(cc1)Br 34a_100000185759_100000210210 [0,2,0,0,0,0|0,0,2]=4 4288 B12R1.1 CCCCOc1ccc(cc1)Br 7a_100000185759_100000210211 [0,2,0,0,0,0|0,0,2]=4 4289 B12R1.1 CCCCOc1ccc(cc1)C 34a_100000210336_100000210210 [0,2,0,0,0,0|0,0,2]=4 4290 B12R1.1 CCCCOc1ccc(cc1)C 7a_100000210336_100000210211 [0,2,0,0,0,0|0,0,2]=4 4291 B12R1.1 CCCCOc1ccc(cc1)Cl 34a_100000210216_100000210210 [0,2,0,0,0,0|0,0,2]=4 4292 B12R1.1 CCCCOc1ccc(cc1)Cl 7a_100000210216_100000210211 [0,2,0,0,0,0|0,0,2]=4 4293 B12R1.1 CCCCOc1ccc(cc1)F 34a_100000210339_100000210210 [0,2,0,0,0,0|0,0,2]=4 4294 B12R1.1 CCCCOc1ccc(cc1)I 34a_100000212066_100000210210 [0,2,0,0,0,0|0,0,2]=4 4295 B12R1.1 CCCCOc1ccc(cc1)I 7a_100000212066_100000210211 [0,2,0,0,0,0|0,0,2]=4 4296 B12R1.1 CCCCOc1ccc(cc1)N 34a_100000185829_100000210210 [0,2,0,0,0,0|0,0,2]=4 4297 B12R1.1 CCCCOc1ccc(cc1)O 271570a_203496583355_100000230682 [0,2,0,0,0,0|0,0,2]=4 4298 B12R1.1 CCCOCc1ccc(cc1)Br 34a_100000210258_100000189115 [0,2,0,0,0,0|0,0,2]=4 4299 B12R1.1 CCCOCc1ccc(cc1)Br 34a_100000695286_100000210303 [0,2,0,0,0,0|0,0,2]=4 4300 B12R1.1 CCCOCc1ccc(cc1)C 34a_100000210258_100000210814 [0,2,0,0,0,0|0,0,2]=4 4301 B12R1.1 CCCOCc1ccc(cc1)C 34a_100011215236_100000210303 [0,2,0,0,0,0|0,0,2]=4 4302 B12R1.1 CCCOCc1ccc(cc1)C 7a_100011215236_100000210303 [0,2,0,0,0,0|0,0,2]=4 4303 B12R1.1 CCCOCc1ccc(cc1)Cl 34a_100000210258_100000694040 [0,2,0,0,0,0|0,0,2]=4 4304 B12R1.1 CCCOCc1ccc(cc1)Cl 34a_100000211118_100000210303 [0,2,0,0,0,0|0,0,2]=4 4305 B12R1.1 CCCOCc1ccc(cc1)Cl 7a_100000211118_100000210303 [0,2,0,0,0,0|0,0,2]=4 4306 B12R1.1 CCCOCc1ccc(cc1)F 34a_100000210258_100000198546 [0,2,0,0,0,0|0,0,2]=4 4307 B12R1.1 CCCOCc1ccc(cc1)F 34a_100000210977_100000210303 [0,2,0,0,0,0|0,0,2]=4 4308 B12R1.1 CCCOCc1ccc(cc1)F 7a_100000210977_100000210303 [0,2,0,0,0,0|0,0,2]=4 4309 B12R1.1 CCCOCc1ccc(cc1)I 34a_100000210258_100000189116 [0,2,0,0,0,0|0,0,2]=4 4310 B12R1.1 CCCOCc1ccc(cc1)I 34a_100000690907_100000210303 [0,2,0,0,0,0|0,0,2]=4 4311 B12R1.1 CCCOCc1ccc(cc1)I 7a_100000690907_100000210303 [0,2,0,0,0,0|0,0,2]=4 4312 B12R1.1 CCCOCc1ccc(cc1)N 34a_100011215238_100000210303 [0,2,0,0,0,0|0,0,2]=4 4313 B12R1.1 CNCCOc1ccc(cc1)Br 2230a_100000746992_200000210301 [0,2,0,0,0,0|0,0,2]=4 4314 B12R1.1 CNCCOc1ccc(cc1)Br 2230a_106832991635_100000183278 [0,2,0,0,0,0|0,0,2]=4 4315 B12R1.1 CNCCOc1ccc(cc1)Br 34a_100000746992_200000210301 [0,2,0,0,0,0|0,0,2]=4 4316 B12R1.1 CNCCOc1ccc(cc1)Br 34a_100102657272_100000183278 [0,2,0,0,0,0|0,0,2]=4 4317 B12R1.1 CNCCOc1ccc(cc1)Br 7a_106832991635_100000183278 [0,2,0,0,0,0|0,0,2]=4 4318 B12R1.1 CNCCOc1ccc(cc1)C 2230a_100020666663_200000210301 [0,2,0,0,0,0|0,0,2]=4 4319 B12R1.1 CNCCOc1ccc(cc1)C 2230a_106832991635_100000183172 [0,2,0,0,0,0|0,0,2]=4 4320 B12R1.1 CNCCOc1ccc(cc1)C 34a_100020666663_200000210301 [0,2,0,0,0,0|0,0,2]=4 4321 B12R1.1 CNCCOc1ccc(cc1)C 34a_100102657272_100000183172 [0,2,0,0,0,0|0,0,2]=4 4322 B12R1.1 CNCCOc1ccc(cc1)C 7a_106832991635_100000183172 [0,2,0,0,0,0|0,0,2]=4 4323 B12R1.1 CNCCOc1ccc(cc1)Cl 2230a_100000697975_200000210301 [0,2,0,0,0,0|0,0,2]=4 4324 B12R1.1 CNCCOc1ccc(cc1)Cl 2230a_106832991635_100000184122 [0,2,0,0,0,0|0,0,2]=4 4325 B12R1.1 CNCCOc1ccc(cc1)Cl 34a_100000697975_200000210301 [0,2,0,0,0,0|0,0,2]=4 4326 B12R1.1 CNCCOc1ccc(cc1)Cl 34a_100102657272_100000184122 [0,2,0,0,0,0|0,0,2]=4 4327 B12R1.1 CNCCOc1ccc(cc1)Cl 7a_106832991635_100000184122 [0,2,0,0,0,0|0,0,2]=4 4328 B12R1.1 CNCCOc1ccc(cc1)F 2230a_100000737420_200000210301 [0,2,0,0,0,0|0,0,2]=4 4329 B12R1.1 CNCCOc1ccc(cc1)F 2230a_106832991635_100000184936 [0,2,0,0,0,0|0,0,2]=4 4330 B12R1.1 CNCCOc1ccc(cc1)F 34a_100000737420_200000210301 [0,2,0,0,0,0|0,0,2]=4 4331 B12R1.1 CNCCOc1ccc(cc1)F 34a_100102657272_100000184936 [0,2,0,0,0,0|0,0,2]=4 4332 B12R1.1 CNCCOc1ccc(cc1)F 7a_106832991635_100000184936 [0,2,0,0,0,0|0,0,2]=4 4333 B12R1.1 COCCOc1ccc(cc1)Br 34a_100000185759_100011201679 [0,2,0,0,0,0|0,0,2]=4 4334 B12R1.1 COCCOc1ccc(cc1)Br 34a_100000686261_200000210301 [0,2,0,0,0,0|0,0,2]=4 4335 B12R1.1 COCCOc1ccc(cc1)Br 34a_100138415774_100000183278 [0,2,0,0,0,0|0,0,2]=4 4336 B12R1.1 COCCOc1ccc(cc1)Br 7a_100000185759_100000233755 [0,2,0,0,0,0|0,0,2]=4 4337 B12R1.1 COCCOc1ccc(cc1)Br 7a_100000686261_200000210301 [0,2,0,0,0,0|0,0,2]=4 4338 B12R1.1 COCCOc1ccc(cc1)C 34a_100000210336_100011201679 [0,2,0,0,0,0|0,0,2]=4 4339 B12R1.1 COCCOc1ccc(cc1)C 34a_100011219107_200000210301 [0,2,0,0,0,0|0,0,2]=4 4340 B12R1.1 COCCOc1ccc(cc1)C 34a_100138415774_100000183172 [0,2,0,0,0,0|0,0,2]=4 4341 B12R1.1 COCCOc1ccc(cc1)C 7a_100000210336_100000233755 [0,2,0,0,0,0|0,0,2]=4 4342 B12R1.1 COCCOc1ccc(cc1)C 7a_100011219107_200000210301 [0,2,0,0,0,0|0,0,2]=4 4343 B12R1.1 COCCOc1ccc(cc1)Cl 34a_100000210216_100011201679 [0,2,0,0,0,0|0,0,2]=4 4344 B12R1.1 COCCOc1ccc(cc1)Cl 34a_100000237962_200000210301 [0,2,0,0,0,0|0,0,2]=4 4345 B12R1.1 COCCOc1ccc(cc1)Cl 34a_100138415774_100000184122 [0,2,0,0,0,0|0,0,2]=4 4346 B12R1.1 COCCOc1ccc(cc1)Cl 7a_100000210216_100000233755 [0,2,0,0,0,0|0,0,2]=4 4347 B12R1.1 COCCOc1ccc(cc1)Cl 7a_100000237962_200000210301 [0,2,0,0,0,0|0,0,2]=4 4348 B12R1.1 COCCOc1ccc(cc1)F 34a_100000210339_100011201679 [0,2,0,0,0,0|0,0,2]=4 4349 B12R1.1 COCCOc1ccc(cc1)F 34a_100138415774_100000184936 [0,2,0,0,0,0|0,0,2]=4 4350 B12R1.1 COCCOc1ccc(cc1)I 34a_100000212066_100011201679 [0,2,0,0,0,0|0,0,2]=4 4351 B12R1.1 COCCOc1ccc(cc1)I 7a_100000212066_100000233755 [0,2,0,0,0,0|0,0,2]=4 4352 B12R1.1 COCCOc1ccc(cc1)N 34a_100000185829_100011201679 [0,2,0,0,0,0|0,0,2]=4 4353 B12R1.1 COCCOc1ccc(cc1)N 34a_100000754363_200000210301 [0,2,0,0,0,0|0,0,2]=4 4354 B12R1.1 COCCOc1ccc(cc1)O 271570a_203496583355_100000234135 [0,2,0,0,0,0|0,0,2]=4 4355 B12R1.1 CSCCOc1ccc(cc1)Br 34a_100000185759_100000212216 [0,2,0,0,0,0|0,0,2]=4 4356 B12R1.1 CSCCOc1ccc(cc1)Br 62a_100000183278_200000210301 [0,2,0,0,0,0|0,0,2]=4 4357 B12R1.1 CSCCOc1ccc(cc1)Br 62a_200000210301_100000183278 [0,2,0,0,0,0|0,0,2]=4 4358 B12R1.1 CSCCOc1ccc(cc1)Br 7a_100000185759_100000212216 [0,2,0,0,0,0|0,0,2]=4 4359 B12R1.1 CSCCOc1ccc(cc1)C 34a_100000210336_100000212216 [0,2,0,0,0,0|0,0,2]=4 4360 B12R1.1 CSCCOc1ccc(cc1)C 62a_100000183172_200000210301 [0,2,0,0,0,0|0,0,2]=4 4361 B12R1.1 CSCCOc1ccc(cc1)C 62a_200000210301_100000183172 [0,2,0,0,0,0|0,0,2]=4 4362 B12R1.1 CSCCOc1ccc(cc1)C 7a_100000210336_100000212216 [0,2,0,0,0,0|0,0,2]=4 4363 B12R1.1 CSCCOc1ccc(cc1)Cl 34a_100000210216_100000212216 [0,2,0,0,0,0|0,0,2]=4 4364 B12R1.1 CSCCOc1ccc(cc1)Cl 62a_100000184122_200000210301 [0,2,0,0,0,0|0,0,2]=4 4365 B12R1.1 CSCCOc1ccc(cc1)Cl 62a_200000210301_100000184122 [0,2,0,0,0,0|0,0,2]=4 4366 B12R1.1 CSCCOc1ccc(cc1)Cl 7a_100000210216_100000212216 [0,2,0,0,0,0|0,0,2]=4 4367 B12R1.1 CSCCOc1ccc(cc1)F 34a_100000210339_100000212216 [0,2,0,0,0,0|0,0,2]=4 4368 B12R1.1 CSCCOc1ccc(cc1)F 62a_100000184936_200000210301 [0,2,0,0,0,0|0,0,2]=4 4369 B12R1.1 CSCCOc1ccc(cc1)F 62a_200000210301_100000184936 [0,2,0,0,0,0|0,0,2]=4 4370 B12R1.1 CSCCOc1ccc(cc1)I 34a_100000212066_100000212216 [0,2,0,0,0,0|0,0,2]=4 4371 B12R1.1 CSCCOc1ccc(cc1)I 7a_100000212066_100000212216 [0,2,0,0,0,0|0,0,2]=4 4372 B12R1.1 CSCCOc1ccc(cc1)N 34a_100000185829_100000212216 [0,2,0,0,0,0|0,0,2]=4 4373 B12R1.1 CSCOCc1ccc(cc1)Br 34a_100000695286_100011218213 [0,2,0,0,0,0|1,0,1]=4 4374 B12R1.1 CSCOCc1ccc(cc1)C 34a_100011215236_100011218213 [0,2,0,0,0,0|1,0,1]=4 4375 B12R1.1 CSCOCc1ccc(cc1)Cl 34a_100000211118_100011218213 [0,2,0,0,0,0|1,0,1]=4 4376 B12R1.1 CSCOCc1ccc(cc1)F 34a_100000210977_100011218213 [0,2,0,0,0,0|1,0,1]=4 4377 B12R1.1 CSCOCc1ccc(cc1)I 34a_100000690907_100011218213 [0,2,0,0,0,0|1,0,1]=4 4378 B12R1.1 CSCOCc1ccc(cc1)N 34a_100011215238_100011218213 [0,2,0,0,0,0|1,0,1]=4 4379 B12R1.1 C[n+]1ccc(cc1)COCC=O 34a_100009831711_200009817547 [0,2,0,0,0,0|2,0,0]=4 4380 B12R1.1 Cc1ccc(cc1)CNCC=O 2230a_100000174908_200015260668 [0,2,0,0,0,0|2,0,0]=4 4381 B12R1.1 Cc1ccc(cc1)CNCC=O 34a_100000174908_200009817547 [0,2,0,0,0,0|2,0,0]=4 4382 B12R1.1 Cc1ccc(cc1)COCC#N 7a_100011215236_100011215382 [0,2,0,0,0,0|1,0,1]=4 4383 B12R1.1 Cc1ccc(cc1)COCC=O 34a_100011215236_200009817547 [0,2,0,0,0,0|1,0,0]=3 4384 B12R1.1 Cc1ccc(cc1)COCC=O 7a_100011215236_200015260668 [0,2,0,0,0,0|1,0,0]=3 4385 B12R1.1 Cc1ccc(cc1)COCCBr 34a_100000211926_100000210814 [0,2,0,0,0,0|1,0,1]=4 4386 B12R1.1 Cc1ccc(cc1)COCCF 34a_100011215236_100011217306 [0,2,0,0,0,0|1,0,1]=4 4387 B12R1.1 Cc1ccc(cc1)COCCF 7a_100011215236_100011217306 [0,2,0,0,0,0|1,0,1]=4 4388 B12R1.1 Cc1ccc(cc1)COCCN 34a_100000210304_100000210814 [0,2,0,0,0,0|1,0,1]=4 4389 B12R1.1 Cc1ccc(cc1)COCCO 34a_100011215236_100000211926 [0,2,0,0,0,0|1,0,1]=4 4390 B12R1.1 Cc1ccc(cc1)COCCO 7a_100011215236_100000211926 [0,2,0,0,0,0|1,0,1]=4 4391 B12R1.1 Cc1ccc(cc1)CSCC=O 62a_100000210814_200015260668 [0,2,0,0,0,0|1,1,0]=4 4392 B12R1.1 Cc1ccc(cc1)CSCC=O 62a_200015260668_100000210814 [0,2,0,0,0,0|1,1,0]=4 4393 B12R1.1 Cc1ccc(cc1)OCCC#N 7a_100000210336_100000184422 [0,2,0,0,0,0|0,0,2]=4 4394 B12R1.1 Cc1ccc(cc1)OCCCF 34a_100000210336_100011934791 [0,2,0,0,0,0|0,0,2]=4 4395 B12R1.1 Cc1ccc(cc1)OCCCF 7a_100000210336_100011934791 [0,2,0,0,0,0|0,0,2]=4 4396 B12R1.1 Cc1ccc(cc1)OCCCO 34a_100000210336_100000230001 [0,2,0,0,0,0|0,0,2]=4 4397 B12R1.1 Cc1ccc(cc1)OCCCO 7a_100000210336_100011215043 [0,2,0,0,0,0|0,0,2]=4 4398 B12R1.1 Cc1ccc(cc1)OCCN[13CH3] 2230a_100020666663_200025704644 [0,2,0,0,0,0|0,0,2]=4 4399 B12R1.1 Cc1ccc(cc1)OCCN[13CH3] 34a_100020666663_200025704644 [0,2,0,0,0,0|0,0,2]=4 4400 B12R1.1 Cc1ccc(cc1)OCCO[13CH3] 34a_100011219107_200025704644 [0,2,0,0,0,0|0,0,2]=4 4401 B12R1.1 Cc1ccc(cc1)OCCO[13CH3] 7a_100011219107_200025704644 [0,2,0,0,0,0|0,0,2]=4 4402 B12R1.1 Cc1ccc(cc1)OCCS[13CH3] 62a_100000183172_200025704644 [0,2,0,0,0,0|0,0,2]=4 4403 B12R1.1 Cc1ccc(cc1)OCCS[13CH3] 62a_200025704644_100000183172 [0,2,0,0,0,0|0,0,2]=4 4404 B12R1.1 Cc1ccc(cn1)COCC=O 34a_100011248133_200009817547 [0,2,0,0,0,0|2,0,0]=4 4405 B12R1.1 Cc1ccc(nc1)COCC=O 34a_100012001401_200009817547 [0,2,0,0,0,0|2,0,0]=4 4406 B12R1.1 Clc1ccc(cc1)COCCBr 34a_100000211926_100000694040 [0,2,0,0,0,0|1,0,1]=4 4407 B12R1.1 FCCCOc1ccc(cc1)Br 34a_100000185759_100011934791 [0,2,0,0,0,0|0,0,2]=4 4408 B12R1.1 FCCCOc1ccc(cc1)Br 7a_100000185759_100011934791 [0,2,0,0,0,0|0,0,2]=4 4409 B12R1.1 FCCCOc1ccc(cc1)Cl 34a_100000210216_100011934791 [0,2,0,0,0,0|0,0,2]=4 4410 B12R1.1 FCCCOc1ccc(cc1)Cl 7a_100000210216_100011934791 [0,2,0,0,0,0|0,0,2]=4 4411 B12R1.1 FCCCOc1ccc(cc1)F 34a_100000210339_100011934791 [0,2,0,0,0,0|0,0,2]=4 4412 B12R1.1 FCCCOc1ccc(cc1)I 34a_100000212066_100011934791 [0,2,0,0,0,0|0,0,2]=4 4413 B12R1.1 FCCCOc1ccc(cc1)I 7a_100000212066_100011934791 [0,2,0,0,0,0|0,0,2]=4 4414 B12R1.1 FCCOCc1ccc(cc1)Br 34a_100000695286_100011217306 [0,2,0,0,0,0|1,0,1]=4 4415 B12R1.1 FCCOCc1ccc(cc1)Cl 34a_100000211118_100011217306 [0,2,0,0,0,0|1,0,1]=4 4416 B12R1.1 FCCOCc1ccc(cc1)Cl 7a_100000211118_100011217306 [0,2,0,0,0,0|1,0,1]=4 4417 B12R1.1 FCCOCc1ccc(cc1)F 34a_100000210977_100011217306 [0,2,0,0,0,0|1,0,1]=4 4418 B12R1.1 FCCOCc1ccc(cc1)F 7a_100000210977_100011217306 [0,2,0,0,0,0|1,0,1]=4 4419 B12R1.1 FCCOCc1ccc(cc1)I 34a_100000690907_100011217306 [0,2,0,0,0,0|1,0,1]=4 4420 B12R1.1 FCCOCc1ccc(cc1)I 7a_100000690907_100011217306 [0,2,0,0,0,0|1,0,1]=4 4421 B12R1.1 Fc1ccc(cc1)COCCBr 34a_100000211926_100000198546 [0,2,0,0,0,0|1,0,1]=4 4422 B12R1.1 N#CCCOc1ccc(cc1)Br 7a_100000185759_100000184422 [0,2,0,0,0,0|0,0,2]=4 4423 B12R1.1 N#CCCOc1ccc(cc1)Cl 7a_100000210216_100000184422 [0,2,0,0,0,0|0,0,2]=4 4424 B12R1.1 N#CCCOc1ccc(cc1)I 7a_100000212066_100000184422 [0,2,0,0,0,0|0,0,2]=4 4425 B12R1.1 N#CCCOc1ccc(cc1)O 271570a_203496583355_100000172056 [0,2,0,0,0,0|0,0,2]=4 4426 B12R1.1 N#CCOCc1ccc(cc1)Cl 7a_100000211118_100011215382 [0,2,0,0,0,0|1,0,1]=4 4427 B12R1.1 N#CCOCc1ccc(cc1)F 7a_100000210977_100011215382 [0,2,0,0,0,0|1,0,1]=4 4428 B12R1.1 N#CCOCc1ccc(cc1)I 7a_100000690907_100011215382 [0,2,0,0,0,0|1,0,1]=4 4429 B12R1.1 NCCOCc1ccc(cc1)Br 34a_100000210304_100000189115 [0,2,0,0,0,0|1,0,1]=4 4430 B12R1.1 NCCOCc1ccc(cc1)Cl 34a_100000210304_100000694040 [0,2,0,0,0,0|1,0,1]=4 4431 B12R1.1 NCCOCc1ccc(cc1)F 34a_100000210304_100000198546 [0,2,0,0,0,0|1,0,1]=4 4432 B12R1.1 NCCOCc1ccc(cc1)I 34a_100000210304_100000189116 [0,2,0,0,0,0|1,0,1]=4 4433 B12R1.1 Nc1ccc(cc1)COCC=O 34a_100011215238_200009817547 [0,2,0,0,0,0|1,0,0]=3 4434 B12R1.1 Nc1ccc(cc1)COCCF 34a_100011215238_100011217306 [0,2,0,0,0,0|1,0,1]=4 4435 B12R1.1 Nc1ccc(cc1)COCCO 34a_100011215238_100000211926 [0,2,0,0,0,0|1,0,1]=4 4436 B12R1.1 Nc1ccc(cc1)OCCCF 34a_100000185829_100011934791 [0,2,0,0,0,0|0,0,2]=4 4437 B12R1.1 Nc1ccc(cc1)OCCCO 34a_100000185829_100000230001 [0,2,0,0,0,0|0,0,2]=4 4438 B12R1.1 Nc1ccc(cn1)COCC=O 34a_100000704267_200009817547 [0,2,0,0,0,0|2,0,0]=4 4439 B12R1.1 Nc1ccc(nc1)COCC=O 34a_100011998161_200009817547 [0,2,0,0,0,0|2,0,0]=4 4440 B12R1.1 O=CCNCc1ccc(cc1)Br 2230a_100000174875_200015260668 [0,2,0,0,0,0|2,0,0]=4 4441 B12R1.1 O=CCNCc1ccc(cc1)Br 34a_100000174875_200009817547 [0,2,0,0,0,0|2,0,0]=4 4442 B12R1.1 O=CCNCc1ccc(cc1)Cl 2230a_100000174871_200015260668 [0,2,0,0,0,0|2,0,0]=4 4443 B12R1.1 O=CCNCc1ccc(cc1)Cl 34a_100000174871_200009817547 [0,2,0,0,0,0|2,0,0]=4 4444 B12R1.1 O=CCNCc1ccc(cc1)F 2230a_100000174882_200015260668 [0,2,0,0,0,0|2,0,0]=4 4445 B12R1.1 O=CCNCc1ccc(cc1)F 34a_100000174882_200009817547 [0,2,0,0,0,0|2,0,0]=4 4446 B12R1.1 O=CCNCc1ccc(cc1)I 2230a_100016989417_200015260668 [0,2,0,0,0,0|2,0,0]=4 4447 B12R1.1 O=CCNCc1ccc(cc1)I 34a_100016989417_200009817547 [0,2,0,0,0,0|2,0,0]=4 4448 B12R1.1 O=CCNCc1ccc(cc1)O 34a_100000185549_200009817547 [0,2,0,0,0,0|2,0,0]=4 4449 B12R1.1 O=CCOCc1cc[n+](cc1)[O-] 34a_100000031831_200009817547 [0,2,0,0,0,0|2,0,0]=4 4450 B12R1.1 O=CCOCc1cc[n+](cc1)[O-] 7a_100000031831_200015260668 [0,2,0,0,0,0|2,0,0]=4 4451 B12R1.1 O=CCOCc1ccc(=O)[nH]c1 34a_100011999846_200009817547 [0,2,0,0,0,0|2,0,0]=4 4452 B12R1.1 O=CCOCc1ccc(cc1)Br 34a_100000695286_200009817547 [0,2,0,0,0,0|1,0,0]=3 4453 B12R1.1 O=CCOCc1ccc(cc1)Cl 34a_100000211118_200009817547 [0,2,0,0,0,0|1,0,0]=3 4454 B12R1.1 O=CCOCc1ccc(cc1)Cl 7a_100000211118_200015260668 [0,2,0,0,0,0|1,0,0]=3 4455 B12R1.1 O=CCOCc1ccc(cc1)F 34a_100000210977_200009817547 [0,2,0,0,0,0|1,0,0]=3 4456 B12R1.1 O=CCOCc1ccc(cc1)F 7a_100000210977_200015260668 [0,2,0,0,0,0|1,0,0]=3 4457 B12R1.1 O=CCOCc1ccc(cc1)I 34a_100000690907_200009817547 [0,2,0,0,0,0|1,0,0]=3 4458 B12R1.1 O=CCOCc1ccc(cc1)I 7a_100000690907_200015260668 [0,2,0,0,0,0|1,0,0]=3 4459 B12R1.1 O=CCOCc1ccc(cn1)Br 34a_100000754261_200009817547 [0,2,0,0,0,0|2,0,0]=4 4460 B12R1.1 O=CCOCc1ccc(cn1)Cl 34a_100000703999_200009817547 [0,2,0,0,0,0|2,0,0]=4 4461 B12R1.1 O=CCOCc1ccc(cn1)F 34a_100011999454_200009817547 [0,2,0,0,0,0|2,0,0]=4 4462 B12R1.1 O=CCOCc1ccc(nc1)Br 34a_100009816760_200009817547 [0,2,0,0,0,0|2,0,0]=4 4463 B12R1.1 O=CCOCc1ccc(nc1)Br 7a_100009816760_200015260668 [0,2,0,0,0,0|2,0,0]=4 4464 B12R1.1 O=CCOCc1ccc(nc1)Cl 34a_100000755211_200009817547 [0,2,0,0,0,0|2,0,0]=4 4465 B12R1.1 O=CCOCc1ccc(nc1)Cl 7a_100000755211_200015260668 [0,2,0,0,0,0|2,0,0]=4 4466 B12R1.1 O=CCOCc1ccc(nc1)F 34a_100000079959_200009817547 [0,2,0,0,0,0|2,0,0]=4 4467 B12R1.1 O=CCSCc1ccc(cc1)Br 62a_100000189115_200015260668 [0,2,0,0,0,0|1,1,0]=4 4468 B12R1.1 O=CCSCc1ccc(cc1)Br 62a_200015260668_100000189115 [0,2,0,0,0,0|1,1,0]=4 4469 B12R1.1 O=CCSCc1ccc(cc1)Cl 62a_100000187161_200015260668 [0,2,0,0,0,0|1,1,0]=4 4470 B12R1.1 O=CCSCc1ccc(cc1)Cl 62a_200015260668_100000187161 [0,2,0,0,0,0|1,1,0]=4 4471 B12R1.1 O=CCSCc1ccc(cc1)F 62a_100000198546_200015260668 [0,2,0,0,0,0|1,1,0]=4 4472 B12R1.1 O=CCSCc1ccc(cc1)F 62a_200015260668_100000187164 [0,2,0,0,0,0|1,1,0]=4 4473 B12R1.1 O=CCSCc1ccc(cc1)I 62a_100000189116_200015260668 [0,2,0,0,0,0|1,1,0]=4 4474 B12R1.1 O=CCSCc1ccc(cc1)I 62a_200015260668_100000189116 [0,2,0,0,0,0|1,1,0]=4 4475 B12R1.1 O=CNCCc1ccc(cc1)O 271570a_203496583355_200012351260 [0,2,0,0,0,0|2,0,0]=4 4476 B12R1.1 OCCCOc1ccc(cc1)Br 34a_100000185759_100000230001 [0,2,0,0,0,0|0,0,2]=4 4477 B12R1.1 OCCCOc1ccc(cc1)Br 7a_100000185759_100011215043 [0,2,0,0,0,0|0,0,2]=4 4478 B12R1.1 OCCCOc1ccc(cc1)Cl 34a_100000210216_100000230001 [0,2,0,0,0,0|0,0,2]=4 4479 B12R1.1 OCCCOc1ccc(cc1)Cl 7a_100000210216_100011215043 [0,2,0,0,0,0|0,0,2]=4 4480 B12R1.1 OCCCOc1ccc(cc1)F 34a_100000210339_100000230001 [0,2,0,0,0,0|0,0,2]=4 4481 B12R1.1 OCCCOc1ccc(cc1)I 34a_100000212066_100000230001 [0,2,0,0,0,0|0,0,2]=4 4482 B12R1.1 OCCCOc1ccc(cc1)I 7a_100000212066_100011215043 [0,2,0,0,0,0|0,0,2]=4 4483 B12R1.1 OCCCOc1ccc(cc1)O 271570a_203496583355_100000756186 [0,2,0,0,0,0|0,0,2]=4 4484 B12R1.1 OCCOCc1ccc(cc1)Br 34a_100000695286_100000211926 [0,2,0,0,0,0|1,0,1]=4 4485 B12R1.1 OCCOCc1ccc(cc1)Cl 34a_100000211118_100000211926 [0,2,0,0,0,0|1,0,1]=4 4486 B12R1.1 OCCOCc1ccc(cc1)Cl 7a_100000211118_100000211926 [0,2,0,0,0,0|1,0,1]=4 4487 B12R1.1 OCCOCc1ccc(cc1)F 34a_100000210977_100000211926 [0,2,0,0,0,0|1,0,1]=4 4488 B12R1.1 OCCOCc1ccc(cc1)F 7a_100000210977_100000211926 [0,2,0,0,0,0|1,0,1]=4 4489 B12R1.1 OCCOCc1ccc(cc1)I 34a_100000690907_100000211926 [0,2,0,0,0,0|1,0,1]=4 4490 B12R1.1 OCCOCc1ccc(cc1)I 7a_100000690907_100000211926 [0,2,0,0,0,0|1,0,1]=4 4491 B12R1.1 [13CH3]NCCOc1ccc(cc1)Br 2230a_100000746992_200025704644 [0,2,0,0,0,0|0,0,2]=4 4492 B12R1.1 [13CH3]NCCOc1ccc(cc1)Br 34a_100000746992_200025704644 [0,2,0,0,0,0|0,0,2]=4 4493 B12R1.1 [13CH3]NCCOc1ccc(cc1)Cl 2230a_100000697975_200025704644 [0,2,0,0,0,0|0,0,2]=4 4494 B12R1.1 [13CH3]NCCOc1ccc(cc1)Cl 34a_100000697975_200025704644 [0,2,0,0,0,0|0,0,2]=4 4495 B12R1.1 [13CH3]NCCOc1ccc(cc1)F 2230a_100000737420_200025704644 [0,2,0,0,0,0|0,0,2]=4 4496 B12R1.1 [13CH3]NCCOc1ccc(cc1)F 34a_100000737420_200025704644 [0,2,0,0,0,0|0,0,2]=4 4497 B12R1.1 [13CH3]OCCOc1ccc(cc1)Br 34a_100000686261_200025704644 [0,2,0,0,0,0|0,0,2]=4 4498 B12R1.1 [13CH3]OCCOc1ccc(cc1)Br 7a_100000686261_200025704644 [0,2,0,0,0,0|0,0,2]=4 4499 B12R1.1 [13CH3]OCCOc1ccc(cc1)Cl 34a_100000237962_200025704644 [0,2,0,0,0,0|0,0,2]=4 4500 B12R1.1 [13CH3]OCCOc1ccc(cc1)Cl 7a_100000237962_200025704644 [0,2,0,0,0,0|0,0,2]=4 4501 B12R1.1 [13CH3]OCCOc1ccc(cc1)N 34a_100000754363_200025704644 [0,2,0,0,0,0|0,0,2]=4 4502 B12R1.1 [13CH3]SCCOc1ccc(cc1)Br 62a_100000183278_200025704644 [0,2,0,0,0,0|0,0,2]=4 4503 B12R1.1 [13CH3]SCCOc1ccc(cc1)Br 62a_200025704644_100000183278 [0,2,0,0,0,0|0,0,2]=4 4504 B12R1.1 [13CH3]SCCOc1ccc(cc1)Cl 62a_100000184122_200025704644 [0,2,0,0,0,0|0,0,2]=4 4505 B12R1.1 [13CH3]SCCOc1ccc(cc1)Cl 62a_200025704644_100000184122 [0,2,0,0,0,0|0,0,2]=4 4506 B12R1.1 [13CH3]SCCOc1ccc(cc1)F 62a_100000184936_200025704644 [0,2,0,0,0,0|0,0,2]=4 4507 B12R1.1 [13CH3]SCCOc1ccc(cc1)F 62a_200025704644_100000184936 [0,2,0,0,0,0|0,0,2]=4 4508 B12R1.16 C=CCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000210623 [0,2,0,0,0,0|1,0,0]=3 4509 B12R1.16 C=CCC(=O)c1ccc(cc1)C 1458a_100000188618_100000210623 [0,2,0,0,0,0|1,0,0]=3 4510 B12R1.16 C=CCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000210623 [0,2,0,0,0,0|1,0,0]=3 4511 B12R1.16 C=CCC(=O)c1ccc(cc1)F 1458a_100000187176_100000210623 [0,2,0,0,0,0|1,0,0]=3 4512 B12R1.16 C=CCC(=O)c1ccc(cc1)I 1458a_100000187904_100000210623 [0,2,0,0,0,0|1,0,0]=3 4513 B12R1.16 C=CCC(=O)c1ccc(cc1)O 1458a_100000212099_100000210623 [0,2,0,0,0,0|1,0,0]=3 4514 B12R1.16 C=CCC(O)c1ccc(cc1)O 271570a_203496583355_100011466436 [0,2,0,0,0,0|1,0,0]=3 4515 B12R1.16 C=CCN(C)c1ccc(cc1)Br 2230a_100000219623_100000210623 [0,2,0,0,0,0|1,0,0]=3 4516 B12R1.16 C=CCN(C)c1ccc(cc1)Br 269982a_100000219623_100000210623 [0,2,0,0,0,0|1,0,0]=3 4517 B12R1.16 C=CCN(C)c1ccc(cc1)Br 34a_100000219623_100015514636 [0,2,0,0,0,0|1,0,0]=3 4518 B12R1.16 C=CCN(C)c1ccc(cc1)C 2230a_100000219977_100000210623 [0,2,0,0,0,0|1,0,0]=3 4519 B12R1.16 C=CCN(C)c1ccc(cc1)C 269982a_100000219977_100000210623 [0,2,0,0,0,0|1,0,0]=3 4520 B12R1.16 C=CCN(C)c1ccc(cc1)C 34a_100000219977_100015514636 [0,2,0,0,0,0|1,0,0]=3 4521 B12R1.16 C=CCN(C)c1ccc(cc1)Cl 2230a_100020629279_100000210623 [0,2,0,0,0,0|1,0,0]=3 4522 B12R1.16 C=CCN(C)c1ccc(cc1)Cl 269982a_100020629279_100000210623 [0,2,0,0,0,0|1,0,0]=3 4523 B12R1.16 C=CCN(C)c1ccc(cc1)Cl 34a_100020629279_100015514636 [0,2,0,0,0,0|1,0,0]=3 4524 B12R1.16 C=CCN(C)c1ccc(cc1)F 2230a_100000219829_100000210623 [0,2,0,0,0,0|1,0,0]=3 4525 B12R1.16 C=CCN(C)c1ccc(cc1)F 269982a_100000219829_100000210623 [0,2,0,0,0,0|1,0,0]=3 4526 B12R1.16 C=CCN(C)c1ccc(cc1)F 34a_100000219829_100015514636 [0,2,0,0,0,0|1,0,0]=3 4527 B12R1.16 C=CCN(C)c1ccc(cc1)I 2230a_100000743151_100000210623 [0,2,0,0,0,0|1,0,0]=3 4528 B12R1.16 C=CCN(C)c1ccc(cc1)I 269982a_100000743151_100000210623 [0,2,0,0,0,0|1,0,0]=3 4529 B12R1.16 C=CCN(C)c1ccc(cc1)I 34a_100000743151_100015514636 [0,2,0,0,0,0|1,0,0]=3 4530 B12R1.16 C=CCN(C)c1ccc(cc1)O 269982a_100000182112_100000210623 [0,2,0,0,0,0|1,0,0]=3 4531 B12R1.16 C=CCN(C)c1ccc(cc1)O 34a_100000182112_100015514636 [0,2,0,0,0,0|1,0,0]=3 4532 B12R1.16 CN(CC=O)c1ccc(cc1)Br 2230a_100000219623_200015260668 [0,2,0,0,0,0|2,0,0]=4 4533 B12R1.16 CN(CC=O)c1ccc(cc1)Br 269982a_100000219623_200015260668 [0,2,0,0,0,0|2,0,0]=4 4534 B12R1.16 CN(CC=O)c1ccc(cc1)Br 34a_100000219623_200009817547 [0,2,0,0,0,0|2,0,0]=4 4535 B12R1.16 CN(CC=O)c1ccc(cc1)Cl 2230a_100020629279_200015260668 [0,2,0,0,0,0|2,0,0]=4 4536 B12R1.16 CN(CC=O)c1ccc(cc1)Cl 269982a_100020629279_200015260668 [0,2,0,0,0,0|2,0,0]=4 4537 B12R1.16 CN(CC=O)c1ccc(cc1)Cl 34a_100020629279_200009817547 [0,2,0,0,0,0|2,0,0]=4 4538 B12R1.16 CN(CC=O)c1ccc(cc1)F 2230a_100000219829_200015260668 [0,2,0,0,0,0|2,0,0]=4 4539 B12R1.16 CN(CC=O)c1ccc(cc1)F 269982a_100000219829_200015260668 [0,2,0,0,0,0|2,0,0]=4 4540 B12R1.16 CN(CC=O)c1ccc(cc1)F 34a_100000219829_200009817547 [0,2,0,0,0,0|2,0,0]=4 4541 B12R1.16 CN(CC=O)c1ccc(cc1)I 2230a_100000743151_200015260668 [0,2,0,0,0,0|2,0,0]=4 4542 B12R1.16 CN(CC=O)c1ccc(cc1)I 269982a_100000743151_200015260668 [0,2,0,0,0,0|2,0,0]=4 4543 B12R1.16 CN(CC=O)c1ccc(cc1)I 34a_100000743151_200009817547 [0,2,0,0,0,0|2,0,0]=4 4544 B12R1.16 CN(CC=O)c1ccc(cc1)O 269982a_100000182112_200015260668 [0,2,0,0,0,0|2,0,0]=4 4545 B12R1.16 CN(CC=O)c1ccc(cc1)O 34a_100000182112_200009817547 [0,2,0,0,0,0|2,0,0]=4 4546 B12R1.16 Cc1ccc(cc1)N(C)CC=O 2230a_100000219977_200015260668 [0,2,0,0,0,0|2,0,0]=4 4547 B12R1.16 Cc1ccc(cc1)N(C)CC=O 269982a_100000219977_200015260668 [0,2,0,0,0,0|2,0,0]=4 4548 B12R1.16 Cc1ccc(cc1)N(C)CC=O 34a_100000219977_200009817547 [0,2,0,0,0,0|2,0,0]=4 4549 B12R1.21 C=C(C)CNc1ccc(cc1)Br 2230a_100000210018_100000748629 [0,2,0,0,0,0|1,0,0]=3 4550 B12R1.21 C=C(C)CNc1ccc(cc1)Br 34a_100000210018_100000748629 [0,2,0,0,0,0|1,0,0]=3 4551 B12R1.21 C=C(C)CNc1ccc(cc1)C 34a_100000124888_100000748629 [0,2,0,0,0,0|1,0,0]=3 4552 B12R1.21 C=C(C)CNc1ccc(cc1)Cl 2230a_100000210052_100000748629 [0,2,0,0,0,0|1,0,0]=3 4553 B12R1.21 C=C(C)CNc1ccc(cc1)Cl 34a_100000210052_100000748629 [0,2,0,0,0,0|1,0,0]=3 4554 B12R1.21 C=C(C)CNc1ccc(cc1)F 34a_100000185862_100000748629 [0,2,0,0,0,0|1,0,0]=3 4555 B12R1.21 C=C(C)CNc1ccc(cc1)I 34a_100000185761_100000748629 [0,2,0,0,0,0|1,0,0]=3 4556 B12R1.21 C=C(C)CNc1ccc(cc1)O 34a_100000185829_100000748629 [0,2,0,0,0,0|1,0,0]=3 4557 B12R1.21 C=C(C)CNc1ccc(cn1)Br 27a_100000765925_100000686858 [0,2,0,0,0,0|2,0,0]=4 4558 B12R1.21 C=C(C)COc1ccc(=O)[nH]c1 34a_100000075641_100000748629 [0,2,0,0,0,0|1,0,0]=3 4559 B12R1.21 C=C(C)COc1ccc(cc1)Br 34a_100000185759_100000748629 [0,2,0,0,0,0|0,0,0]=2 4560 B12R1.21 C=C(C)COc1ccc(cc1)Br 7a_100000185759_100000748629 [0,2,0,0,0,0|0,0,0]=2 4561 B12R1.21 C=C(C)COc1ccc(cc1)C 34a_100000210336_100000748629 [0,2,0,0,0,0|0,0,0]=2 4562 B12R1.21 C=C(C)COc1ccc(cc1)C 7a_100000210336_100000748629 [0,2,0,0,0,0|0,0,0]=2 4563 B12R1.21 C=C(C)COc1ccc(cc1)Cl 34a_100000210216_100000748629 [0,2,0,0,0,0|0,0,0]=2 4564 B12R1.21 C=C(C)COc1ccc(cc1)Cl 7a_100000210216_100000748629 [0,2,0,0,0,0|0,0,0]=2 4565 B12R1.21 C=C(C)COc1ccc(cc1)F 34a_100000210339_100000748629 [0,2,0,0,0,0|0,0,0]=2 4566 B12R1.21 C=C(C)COc1ccc(cc1)I 34a_100000212066_100000748629 [0,2,0,0,0,0|0,0,0]=2 4567 B12R1.21 C=C(C)COc1ccc(cc1)I 7a_100000212066_100000748629 [0,2,0,0,0,0|0,0,0]=2 4568 B12R1.21 C=C(C)COc1ccc(cc1)N 34a_100000185829_100000748629 [0,2,0,0,0,0|0,0,0]=2 4569 B12R1.21 C=C(C)COc1ccc(cn1)C 34a_100000759353_100000748629 [0,2,0,0,0,0|1,0,0]=3 4570 B12R1.21 C=C(C)COc1ccc(cn1)Cl 34a_100011215309_100000748629 [0,2,0,0,0,0|1,0,0]=3 4571 B12R1.21 C=C(C)COc1ccc(cn1)F 34a_100000742473_100000748629 [0,2,0,0,0,0|1,0,0]=3 4572 B12R1.21 C=C(C)COc1ccc(cn1)N 34a_100000729260_100000748629 [0,2,0,0,0,0|1,0,0]=3 4573 B12R1.21 C=C(C)COc1ccc(nc1)Br 34a_100000685995_100000748629 [0,2,0,0,0,0|1,0,0]=3 4574 B12R1.21 C=C(C)COc1ccc(nc1)Br 7a_100000685995_100000748629 [0,2,0,0,0,0|1,0,0]=3 4575 B12R1.21 C=C(C)COc1ccc(nc1)C 34a_100000745506_100000748629 [0,2,0,0,0,0|1,0,0]=3 4576 B12R1.21 C=C(C)COc1ccc(nc1)C 7a_100000745506_100000748629 [0,2,0,0,0,0|1,0,0]=3 4577 B12R1.21 C=C(C)COc1ccc(nc1)Cl 34a_100000744096_100000748629 [0,2,0,0,0,0|1,0,0]=3 4578 B12R1.21 C=C(C)COc1ccc(nc1)Cl 7a_100000744096_100000748629 [0,2,0,0,0,0|1,0,0]=3 4579 B12R1.21 C=C(C)COc1ccc(nc1)F 34a_100000688820_100000748629 [0,2,0,0,0,0|1,0,0]=3 4580 B12R1.21 C=C(C)COc1ccc(nc1)F 7a_100000688820_100000748629 [0,2,0,0,0,0|1,0,0]=3 4581 B12R1.21 C=C(C)COc1ccc(nc1)I 34a_100000687607_100000748629 [0,2,0,0,0,0|1,0,0]=3 4582 B12R1.21 C=C(C)COc1ccc(nc1)I 7a_100000687607_100000748629 [0,2,0,0,0,0|1,0,0]=3 4583 B12R1.21 C=C(C)COc1ccc(nc1)N 34a_100015188713_100000748629 [0,2,0,0,0,0|1,0,0]=3 4584 B12R1.21 C=C(C)COc1ccc(nc1)N 7a_100015188713_100000748629 [0,2,0,0,0,0|1,0,0]=3 4585 B12R1.21 C=C(C)COc1cnc(cn1)Br 34a_100011934580_100000748629 [0,2,0,0,0,0|2,0,0]=4 4586 B12R1.21 C=C(C)COc1cnc(cn1)Cl 34a_100015839800_100000748629 [0,2,0,0,0,0|2,0,0]=4 4587 B12R1.21 C=C(C)COc1cnc(nc1)Br 34a_100000730009_100000748629 [0,2,0,0,0,0|2,0,0]=4 4588 B12R1.21 C=C(C)COc1cnc(nc1)Br 7a_100000730009_100000748629 [0,2,0,0,0,0|2,0,0]=4 4589 B12R1.21 C=C(C)COc1cnc(nc1)C 34a_100000062939_100000748629 [0,2,0,0,0,0|2,0,0]=4 4590 B12R1.21 C=C(C)COc1cnc(nc1)C 7a_100000062939_100000748629 [0,2,0,0,0,0|2,0,0]=4 4591 B12R1.21 C=C(C)COc1cnc(nc1)Cl 34a_100000092845_100000748629 [0,2,0,0,0,0|2,0,0]=4 4592 B12R1.21 C=C(C)COc1cnc(nc1)Cl 7a_100000092845_100000748629 [0,2,0,0,0,0|2,0,0]=4 4593 B12R1.21 C=C(C)COc1cnc(nc1)F 34a_200009874573_100000748629 [0,2,0,0,0,0|2,0,0]=4 4594 B12R1.21 C=C(C)COc1cnc(nc1)F 7a_200009874573_100000748629 [0,2,0,0,0,0|2,0,0]=4 4595 B12R1.21 C=C(C)COc1cnc(nc1)N 34a_100000087137_100000748629 [0,2,0,0,0,0|2,0,0]=4 4596 B12R1.21 C=C(C)COc1cnc(nc1)N 7a_100000087137_100000748629 [0,2,0,0,0,0|2,0,0]=4 4597 B12R1.21 C=C(C)COc1ncc(cn1)F 34a_100011934040_100000748629 [0,2,0,0,0,0|2,0,0]=4 4598 B12R1.21 C=C(C)CSc1cc[n+](cc1)[O-] 62a_100000748629_100000039755 [0,2,0,0,0,0|1,1,0]=4 4599 B12R1.21 C=C(C)CSc1ccc(=O)[nH]c1 62a_100000212171_100000211660 [0,2,0,0,0,0|1,1,0]=4 4600 B12R1.21 C=C(C)CSc1ccc(=O)[nH]c1 62a_100000748629_100000212171 [0,2,0,0,0,0|1,1,0]=4 4601 B12R1.21 C=C(C)CSc1ccc(cc1)Br 62a_100000748629_100000752885 [0,2,0,0,0,0|0,1,0]=3 4602 B12R1.21 C=C(C)CSc1ccc(cc1)Br 62a_100000752885_100000211660 [0,2,0,0,0,0|0,1,0]=3 4603 B12R1.21 C=C(C)CSc1ccc(cc1)C 62a_100000186775_100000211660 [0,2,0,0,0,0|0,1,0]=3 4604 B12R1.21 C=C(C)CSc1ccc(cc1)C 62a_100000748629_100000186775 [0,2,0,0,0,0|0,1,0]=3 4605 B12R1.21 C=C(C)CSc1ccc(cc1)Cl 62a_100000748629_100000755918 [0,2,0,0,0,0|0,1,0]=3 4606 B12R1.21 C=C(C)CSc1ccc(cc1)Cl 62a_100000755918_100000211660 [0,2,0,0,0,0|0,1,0]=3 4607 B12R1.21 C=C(C)CSc1ccc(cc1)F 62a_100000211213_100000211660 [0,2,0,0,0,0|0,1,0]=3 4608 B12R1.21 C=C(C)CSc1ccc(cc1)F 62a_100000748629_100000211213 [0,2,0,0,0,0|0,1,0]=3 4609 B12R1.21 C=C(C)CSc1ccc(cc1)N 62a_100000185761_100000211660 [0,2,0,0,0,0|0,1,0]=3 4610 B12R1.21 C=C(C)CSc1ccc(cc1)N 62a_100000748629_100000185761 [0,2,0,0,0,0|0,1,0]=3 4611 B12R1.21 C=C(C)CSc1ccc(cc1)O 62a_100000748629_100000185759 [0,2,0,0,0,0|0,1,0]=3 4612 B12R1.21 C=C(C)CSc1ccc(cn1)Br 62a_100000686858_100000211660 [0,2,0,0,0,0|1,1,0]=4 4613 B12R1.21 C=C(C)CSc1ccc(cn1)Br 62a_100000748629_100000686858 [0,2,0,0,0,0|1,1,0]=4 4614 B12R1.21 C=C(C)CSc1ccc(cn1)C 62a_100000748629_100000754016 [0,2,0,0,0,0|1,1,0]=4 4615 B12R1.21 C=C(C)CSc1ccc(cn1)C 62a_100011192072_100000211660 [0,2,0,0,0,0|1,1,0]=4 4616 B12R1.21 C=C(C)CSc1ccc(cn1)Cl 62a_100000748629_100011356976 [0,2,0,0,0,0|1,1,0]=4 4617 B12R1.21 C=C(C)CSc1ccc(cn1)Cl 62a_100011356976_100000211660 [0,2,0,0,0,0|1,1,0]=4 4618 B12R1.21 C=C(C)CSc1ccc(cn1)F 62a_100000744514_100000211660 [0,2,0,0,0,0|1,1,0]=4 4619 B12R1.21 C=C(C)CSc1ccc(cn1)F 62a_100000748629_100000744514 [0,2,0,0,0,0|1,1,0]=4 4620 B12R1.21 C=C(C)CSc1ccc(cn1)N 62a_100000737798_100000211660 [0,2,0,0,0,0|1,1,0]=4 4621 B12R1.21 C=C(C)CSc1ccc(cn1)N 62a_100000748629_100000737798 [0,2,0,0,0,0|1,1,0]=4 4622 B12R1.21 C=C(C)CSc1ccc(cn1)O 62a_100000685995_100000211660 [0,2,0,0,0,0|1,1,0]=4 4623 B12R1.21 C=C(C)CSc1ccc(cn1)O 62a_100000748629_100000744096 [0,2,0,0,0,0|1,1,0]=4 4624 B12R1.21 C=C(C)CSc1ccc(nc1)Br 62a_100000748629_100009814638 [0,2,0,0,0,0|1,1,0]=4 4625 B12R1.21 C=C(C)CSc1ccc(nc1)Br 62a_100009814638_100000211660 [0,2,0,0,0,0|1,1,0]=4 4626 B12R1.21 C=C(C)CSc1ccc(nc1)C 62a_100000748629_100000751577 [0,2,0,0,0,0|1,1,0]=4 4627 B12R1.21 C=C(C)CSc1ccc(nc1)C 62a_100000751577_100000211660 [0,2,0,0,0,0|1,1,0]=4 4628 B12R1.21 C=C(C)CSc1ccc(nc1)Cl 62a_100000034144_100000211660 [0,2,0,0,0,0|1,1,0]=4 4629 B12R1.21 C=C(C)CSc1ccc(nc1)Cl 62a_100000748629_100000034144 [0,2,0,0,0,0|1,1,0]=4 4630 B12R1.21 C=C(C)CSc1ccc(nc1)F 62a_100000042367_100000211660 [0,2,0,0,0,0|1,1,0]=4 4631 B12R1.21 C=C(C)CSc1ccc(nc1)F 62a_100000748629_100000042367 [0,2,0,0,0,0|1,1,0]=4 4632 B12R1.21 C=C(C)CSc1ccc(nc1)N 62a_100000187370_100000211660 [0,2,0,0,0,0|1,1,0]=4 4633 B12R1.21 C=C(C)CSc1ccc(nc1)N 62a_100000748629_100000187370 [0,2,0,0,0,0|1,1,0]=4 4634 B12R1.21 C=C(F)CNc1ccc(cc1)Br 2230a_100000210018_100009893438 [0,2,0,0,0,0|1,0,0]=3 4635 B12R1.21 C=C(F)CNc1ccc(cc1)Br 34a_100000210018_100009893438 [0,2,0,0,0,0|1,0,0]=3 4636 B12R1.21 C=C(F)CNc1ccc(cc1)C 34a_100000124888_100009893438 [0,2,0,0,0,0|1,0,0]=3 4637 B12R1.21 C=C(F)CNc1ccc(cc1)Cl 2230a_100000210052_100009893438 [0,2,0,0,0,0|1,0,0]=3 4638 B12R1.21 C=C(F)CNc1ccc(cc1)Cl 34a_100000210052_100009893438 [0,2,0,0,0,0|1,0,0]=3 4639 B12R1.21 C=C(F)CNc1ccc(cc1)F 34a_100000185862_100009893438 [0,2,0,0,0,0|1,0,0]=3 4640 B12R1.21 C=C(F)CNc1ccc(cc1)I 34a_100000185761_100009893438 [0,2,0,0,0,0|1,0,0]=3 4641 B12R1.21 C=C(F)CNc1ccc(cc1)O 34a_100000185829_100009893438 [0,2,0,0,0,0|1,0,0]=3 4642 B12R1.21 C=C(F)COc1ccc(=O)[nH]c1 34a_100000075641_100009893438 [0,2,0,0,0,0|1,0,0]=3 4643 B12R1.21 C=C(F)COc1ccc(cc1)Br 34a_100000185759_100009893438 [0,2,0,0,0,0|0,0,0]=2 4644 B12R1.21 C=C(F)COc1ccc(cc1)Br 7a_100000185759_100000042424 [0,2,0,0,0,0|0,0,0]=2 4645 B12R1.21 C=C(F)COc1ccc(cc1)C 34a_100000210336_100009893438 [0,2,0,0,0,0|0,0,0]=2 4646 B12R1.21 C=C(F)COc1ccc(cc1)C 7a_100000210336_100000042424 [0,2,0,0,0,0|0,0,0]=2 4647 B12R1.21 C=C(F)COc1ccc(cc1)Cl 34a_100000210216_100009893438 [0,2,0,0,0,0|0,0,0]=2 4648 B12R1.21 C=C(F)COc1ccc(cc1)Cl 7a_100000210216_100000042424 [0,2,0,0,0,0|0,0,0]=2 4649 B12R1.21 C=C(F)COc1ccc(cc1)F 34a_100000210339_100009893438 [0,2,0,0,0,0|0,0,0]=2 4650 B12R1.21 C=C(F)COc1ccc(cc1)I 34a_100000212066_100009893438 [0,2,0,0,0,0|0,0,0]=2 4651 B12R1.21 C=C(F)COc1ccc(cc1)I 7a_100000212066_100000042424 [0,2,0,0,0,0|0,0,0]=2 4652 B12R1.21 C=C(F)COc1ccc(cc1)N 34a_100000185829_100009893438 [0,2,0,0,0,0|0,0,0]=2 4653 B12R1.21 C=C(F)COc1ccc(cn1)C 34a_100000759353_100009893438 [0,2,0,0,0,0|1,0,0]=3 4654 B12R1.21 C=C(F)COc1ccc(cn1)Cl 34a_100011215309_100009893438 [0,2,0,0,0,0|1,0,0]=3 4655 B12R1.21 C=C(F)COc1ccc(cn1)F 34a_100000742473_100009893438 [0,2,0,0,0,0|1,0,0]=3 4656 B12R1.21 C=C(F)COc1ccc(cn1)N 34a_100000729260_100009893438 [0,2,0,0,0,0|1,0,0]=3 4657 B12R1.21 C=C(F)COc1ccc(nc1)Br 34a_100000685995_100009893438 [0,2,0,0,0,0|1,0,0]=3 4658 B12R1.21 C=C(F)COc1ccc(nc1)Br 7a_100000685995_100000042424 [0,2,0,0,0,0|1,0,0]=3 4659 B12R1.21 C=C(F)COc1ccc(nc1)C 34a_100000745506_100009893438 [0,2,0,0,0,0|1,0,0]=3 4660 B12R1.21 C=C(F)COc1ccc(nc1)C 7a_100000745506_100000042424 [0,2,0,0,0,0|1,0,0]=3 4661 B12R1.21 C=C(F)COc1ccc(nc1)Cl 34a_100000744096_100009893438 [0,2,0,0,0,0|1,0,0]=3 4662 B12R1.21 C=C(F)COc1ccc(nc1)Cl 7a_100000744096_100000042424 [0,2,0,0,0,0|1,0,0]=3 4663 B12R1.21 C=C(F)COc1ccc(nc1)F 34a_100000688820_100009893438 [0,2,0,0,0,0|1,0,0]=3 4664 B12R1.21 C=C(F)COc1ccc(nc1)F 7a_100000688820_100000042424 [0,2,0,0,0,0|1,0,0]=3 4665 B12R1.21 C=C(F)COc1ccc(nc1)I 34a_100000687607_100009893438 [0,2,0,0,0,0|1,0,0]=3 4666 B12R1.21 C=C(F)COc1ccc(nc1)I 7a_100000687607_100000042424 [0,2,0,0,0,0|1,0,0]=3 4667 B12R1.21 C=C(F)COc1ccc(nc1)N 34a_100015188713_100009893438 [0,2,0,0,0,0|1,0,0]=3 4668 B12R1.21 C=C(F)COc1ccc(nc1)N 7a_100015188713_100000042424 [0,2,0,0,0,0|1,0,0]=3 4669 B12R1.21 C=C(F)COc1cnc(cn1)Br 34a_100011934580_100009893438 [0,2,0,0,0,0|2,0,0]=4 4670 B12R1.21 C=C(F)COc1cnc(cn1)Cl 34a_100015839800_100009893438 [0,2,0,0,0,0|2,0,0]=4 4671 B12R1.21 C=C(F)COc1cnc(nc1)Br 34a_100000730009_100009893438 [0,2,0,0,0,0|2,0,0]=4 4672 B12R1.21 C=C(F)COc1cnc(nc1)Br 7a_100000730009_100000042424 [0,2,0,0,0,0|2,0,0]=4 4673 B12R1.21 C=C(F)COc1cnc(nc1)C 34a_100000062939_100009893438 [0,2,0,0,0,0|2,0,0]=4 4674 B12R1.21 C=C(F)COc1cnc(nc1)C 7a_100000062939_100000042424 [0,2,0,0,0,0|2,0,0]=4 4675 B12R1.21 C=C(F)COc1cnc(nc1)Cl 34a_100000092845_100009893438 [0,2,0,0,0,0|2,0,0]=4 4676 B12R1.21 C=C(F)COc1cnc(nc1)Cl 7a_100000092845_100000042424 [0,2,0,0,0,0|2,0,0]=4 4677 B12R1.21 C=C(F)COc1cnc(nc1)F 34a_200009874573_100009893438 [0,2,0,0,0,0|2,0,0]=4 4678 B12R1.21 C=C(F)COc1cnc(nc1)F 7a_200009874573_100000042424 [0,2,0,0,0,0|2,0,0]=4 4679 B12R1.21 C=C(F)COc1cnc(nc1)N 34a_100000087137_100009893438 [0,2,0,0,0,0|2,0,0]=4 4680 B12R1.21 C=C(F)COc1cnc(nc1)N 7a_100000087137_100000042424 [0,2,0,0,0,0|2,0,0]=4 4681 B12R1.21 C=C(F)COc1ncc(cn1)F 34a_100011934040_100009893438 [0,2,0,0,0,0|2,0,0]=4 4682 B12R1.21 C=C(F)CSc1cc[n+](cc1)[O-] 62a_100000042424_100000039755 [0,2,0,0,0,0|1,1,0]=4 4683 B12R1.21 C=C(F)CSc1ccc(=O)[nH]c1 62a_100000042424_100000212171 [0,2,0,0,0,0|1,1,0]=4 4684 B12R1.21 C=C(F)CSc1ccc(=O)[nH]c1 62a_100000212171_100000042424 [0,2,0,0,0,0|1,1,0]=4 4685 B12R1.21 C=C(F)CSc1ccc(cc1)Br 62a_100000042424_100000752885 [0,2,0,0,0,0|0,1,0]=3 4686 B12R1.21 C=C(F)CSc1ccc(cc1)Br 62a_100000752885_100000042424 [0,2,0,0,0,0|0,1,0]=3 4687 B12R1.21 C=C(F)CSc1ccc(cc1)C 62a_100000042424_100000186775 [0,2,0,0,0,0|0,1,0]=3 4688 B12R1.21 C=C(F)CSc1ccc(cc1)C 62a_100000186775_100000042424 [0,2,0,0,0,0|0,1,0]=3 4689 B12R1.21 C=C(F)CSc1ccc(cc1)Cl 62a_100000042424_100000755918 [0,2,0,0,0,0|0,1,0]=3 4690 B12R1.21 C=C(F)CSc1ccc(cc1)Cl 62a_100000755918_100000042424 [0,2,0,0,0,0|0,1,0]=3 4691 B12R1.21 C=C(F)CSc1ccc(cc1)F 62a_100000042424_100000211213 [0,2,0,0,0,0|0,1,0]=3 4692 B12R1.21 C=C(F)CSc1ccc(cc1)F 62a_100000211213_100000042424 [0,2,0,0,0,0|0,1,0]=3 4693 B12R1.21 C=C(F)CSc1ccc(cc1)N 62a_100000042424_100000185761 [0,2,0,0,0,0|0,1,0]=3 4694 B12R1.21 C=C(F)CSc1ccc(cc1)N 62a_100000185761_100000042424 [0,2,0,0,0,0|0,1,0]=3 4695 B12R1.21 C=C(F)CSc1ccc(cc1)O 62a_100000042424_100000185759 [0,2,0,0,0,0|0,1,0]=3 4696 B12R1.21 C=C(F)CSc1ccc(cn1)Br 62a_100000042424_100000686858 [0,2,0,0,0,0|1,1,0]=4 4697 B12R1.21 C=C(F)CSc1ccc(cn1)Br 62a_100000686858_100000042424 [0,2,0,0,0,0|1,1,0]=4 4698 B12R1.21 C=C(F)CSc1ccc(cn1)C 62a_100000042424_100000754016 [0,2,0,0,0,0|1,1,0]=4 4699 B12R1.21 C=C(F)CSc1ccc(cn1)C 62a_100011192072_100000042424 [0,2,0,0,0,0|1,1,0]=4 4700 B12R1.21 C=C(F)CSc1ccc(cn1)Cl 62a_100000042424_100011356976 [0,2,0,0,0,0|1,1,0]=4 4701 B12R1.21 C=C(F)CSc1ccc(cn1)Cl 62a_100011356976_100000042424 [0,2,0,0,0,0|1,1,0]=4 4702 B12R1.21 C=C(F)CSc1ccc(cn1)F 62a_100000042424_100000744514 [0,2,0,0,0,0|1,1,0]=4 4703 B12R1.21 C=C(F)CSc1ccc(cn1)F 62a_100000744514_100000042424 [0,2,0,0,0,0|1,1,0]=4 4704 B12R1.21 C=C(F)CSc1ccc(cn1)N 62a_100000042424_100000737798 [0,2,0,0,0,0|1,1,0]=4 4705 B12R1.21 C=C(F)CSc1ccc(cn1)N 62a_100000737798_100000042424 [0,2,0,0,0,0|1,1,0]=4 4706 B12R1.21 C=C(F)CSc1ccc(cn1)O 62a_100000042424_100000744096 [0,2,0,0,0,0|1,1,0]=4 4707 B12R1.21 C=C(F)CSc1ccc(cn1)O 62a_100000685995_100000042424 [0,2,0,0,0,0|1,1,0]=4 4708 B12R1.21 C=C(F)CSc1ccc(nc1)Br 62a_100000042424_100009814638 [0,2,0,0,0,0|1,1,0]=4 4709 B12R1.21 C=C(F)CSc1ccc(nc1)Br 62a_100009814638_100000042424 [0,2,0,0,0,0|1,1,0]=4 4710 B12R1.21 C=C(F)CSc1ccc(nc1)C 62a_100000042424_100000751577 [0,2,0,0,0,0|1,1,0]=4 4711 B12R1.21 C=C(F)CSc1ccc(nc1)C 62a_100000751577_100000042424 [0,2,0,0,0,0|1,1,0]=4 4712 B12R1.21 C=C(F)CSc1ccc(nc1)Cl 62a_100000034144_100000042424 [0,2,0,0,0,0|1,1,0]=4 4713 B12R1.21 C=C(F)CSc1ccc(nc1)Cl 62a_100000042424_100000034144 [0,2,0,0,0,0|1,1,0]=4 4714 B12R1.21 C=C(F)CSc1ccc(nc1)F 62a_100000042367_100000042424 [0,2,0,0,0,0|1,1,0]=4 4715 B12R1.21 C=C(F)CSc1ccc(nc1)F 62a_100000042424_100000042367 [0,2,0,0,0,0|1,1,0]=4 4716 B12R1.21 C=C(F)CSc1ccc(nc1)N 62a_100000042424_100000187370 [0,2,0,0,0,0|1,1,0]=4 4717 B12R1.21 C=C(F)CSc1ccc(nc1)N 62a_100000187370_100000042424 [0,2,0,0,0,0|1,1,0]=4 4718 B12R1.21 CC(=O)CCc1ccc(cc1)Br 1458a_100000070787_100011740612 [0,2,0,0,0,0|1,0,1]=4 4719 B12R1.21 CC(=O)CCc1ccc(cc1)Br 1458a_100000217147_200000210301 [0,2,0,0,0,0|1,0,1]=4 4720 B12R1.21 CC(=O)CCc1ccc(cc1)C 1458a_100000070787_100011713686 [0,2,0,0,0,0|1,0,1]=4 4721 B12R1.21 CC(=O)CCc1ccc(cc1)C 1458a_100000234883_200000210301 [0,2,0,0,0,0|1,0,1]=4 4722 B12R1.21 CC(=O)CCc1ccc(cc1)Cl 1458a_100000070787_100011713675 [0,2,0,0,0,0|1,0,1]=4 4723 B12R1.21 CC(=O)CCc1ccc(cc1)Cl 1458a_100000235379_200000210301 [0,2,0,0,0,0|1,0,1]=4 4724 B12R1.21 CC(=O)CCc1ccc(cc1)F 1458a_100000070787_100011217392 [0,2,0,0,0,0|1,0,1]=4 4725 B12R1.21 CC(=O)CCc1ccc(cc1)F 1458a_100000198493_200000210301 [0,2,0,0,0,0|1,0,1]=4 4726 B12R1.21 CC(=O)CCc1ccc(cc1)I 1458a_100011217499_200000210301 [0,2,0,0,0,0|1,0,1]=4 4727 B12R1.21 CC(=O)CCc1ccc(cc1)O 1458a_100000070787_100009816426 [0,2,0,0,0,0|1,0,1]=4 4728 B12R1.21 CC(=O)CCc1ccc(cc1)O 1458a_100000742835_200000210301 [0,2,0,0,0,0|1,0,1]=4 4729 B12R1.21 CC(=O)CCc1ccc(cc1)O 271570a_203496583355_100000723691 [0,2,0,0,0,0|1,0,1]=4 4730 B12R1.21 CC(=O)COc1ccc(cc1)Br 1458a_100000182358_200000210301 [0,2,0,0,0,0|0,0,1]=3 4731 B12R1.21 CC(=O)COc1ccc(cc1)C 1458a_100000182360_200000210301 [0,2,0,0,0,0|0,0,1]=3 4732 B12R1.21 CC(=O)COc1ccc(cc1)Cl 1458a_100016990877_200000210301 [0,2,0,0,0,0|0,0,1]=3 4733 B12R1.21 CC(=O)COc1ccc(cc1)F 1458a_100000184765_200000210301 [0,2,0,0,0,0|0,0,1]=3 4734 B12R1.21 CC(=O)COc1ccc(cc1)I 1458a_100000184369_200000210301 [0,2,0,0,0,0|0,0,1]=3 4735 B12R1.21 CC(=O)COc1ccc(cc1)O 1458a_100000031633_200000210301 [0,2,0,0,0,0|0,0,1]=3 4736 B12R1.21 CC(=O)CSc1ccc(cc1)Br 1458a_100000179496_200000210301 [0,2,0,0,0,0|0,1,1]=4 4737 B12R1.21 CC(=O)CSc1ccc(cc1)C 1458a_100000179497_200000210301 [0,2,0,0,0,0|0,1,1]=4 4738 B12R1.21 CC(=O)CSc1ccc(cc1)Cl 1458a_100000178402_200000210301 [0,2,0,0,0,0|0,1,1]=4 4739 B12R1.21 CC(=O)CSc1ccc(cc1)F 1458a_100000691584_200000210301 [0,2,0,0,0,0|0,1,1]=4 4740 B12R1.21 CC(C)COc1ccc(cc1)Br 34a_100000185759_100000210624 [0,2,0,0,0,0|0,0,2]=4 4741 B12R1.21 CC(C)COc1ccc(cc1)Br 7a_100000185759_100000210760 [0,2,0,0,0,0|0,0,2]=4 4742 B12R1.21 CC(C)COc1ccc(cc1)Cl 34a_100000210216_100000210624 [0,2,0,0,0,0|0,0,2]=4 4743 B12R1.21 CC(C)COc1ccc(cc1)Cl 7a_100000210216_100000210760 [0,2,0,0,0,0|0,0,2]=4 4744 B12R1.21 CC(C)COc1ccc(cc1)F 34a_100000210339_100000210624 [0,2,0,0,0,0|0,0,2]=4 4745 B12R1.21 CC(C)COc1ccc(cc1)I 34a_100000212066_100000210624 [0,2,0,0,0,0|0,0,2]=4 4746 B12R1.21 CC(C)COc1ccc(cc1)I 7a_100000212066_100000210760 [0,2,0,0,0,0|0,0,2]=4 4747 B12R1.21 CC(C)COc1ccc(cc1)N 34a_100000185829_100000210624 [0,2,0,0,0,0|0,0,2]=4 4748 B12R1.21 CC(C)COc1ccc(cc1)O 271570a_203496583355_200000169949 [0,2,0,0,0,0|0,0,2]=4 4749 B12R1.21 CC(O)COc1ccc(cc1)Br 34a_100000185759_100011218427 [0,2,0,0,0,0|0,0,2]=4 4750 B12R1.21 CC(O)COc1ccc(cc1)Br 7a_100000185759_100011218427 [0,2,0,0,0,0|0,0,2]=4 4751 B12R1.21 CC(O)COc1ccc(cc1)Cl 34a_100000210216_100011218427 [0,2,0,0,0,0|0,0,2]=4 4752 B12R1.21 CC(O)COc1ccc(cc1)Cl 7a_100000210216_100011218427 [0,2,0,0,0,0|0,0,2]=4 4753 B12R1.21 CC(O)COc1ccc(cc1)F 34a_100000210339_100011218427 [0,2,0,0,0,0|0,0,2]=4 4754 B12R1.21 CC(O)COc1ccc(cc1)I 34a_100000212066_100011218427 [0,2,0,0,0,0|0,0,2]=4 4755 B12R1.21 CC(O)COc1ccc(cc1)I 7a_100000212066_100011218427 [0,2,0,0,0,0|0,0,2]=4 4756 B12R1.21 CC(O)COc1ccc(cc1)N 34a_100000185829_100011218427 [0,2,0,0,0,0|0,0,2]=4 4757 B12R1.21 C[C@@H](O)COc1ccc(cc1)Br 34a_100000185759_100009817552 [0,2,0,0,0,0|0,0,2]=4 4758 B12R1.21 C[C@@H](O)COc1ccc(cc1)Br 7a_100000185759_100009817552 [0,2,0,0,0,0|0,0,2]=4 4759 B12R1.21 C[C@@H](O)COc1ccc(cc1)Cl 34a_100000210216_100009817552 [0,2,0,0,0,0|0,0,2]=4 4760 B12R1.21 C[C@@H](O)COc1ccc(cc1)Cl 7a_100000210216_100009817552 [0,2,0,0,0,0|0,0,2]=4 4761 B12R1.21 C[C@@H](O)COc1ccc(cc1)F 34a_100000210339_100009817552 [0,2,0,0,0,0|0,0,2]=4 4762 B12R1.21 C[C@@H](O)COc1ccc(cc1)I 34a_100000212066_100009817552 [0,2,0,0,0,0|0,0,2]=4 4763 B12R1.21 C[C@@H](O)COc1ccc(cc1)I 7a_100000212066_100009817552 [0,2,0,0,0,0|0,0,2]=4 4764 B12R1.21 C[C@@H](O)COc1ccc(cc1)N 34a_100000185829_100009817552 [0,2,0,0,0,0|0,0,2]=4 4765 B12R1.21 Cc1ccc(cc1)CCC(=O)[13CH3] 1458a_100000234883_200025704644 [0,2,0,0,0,0|1,0,1]=4 4766 B12R1.21 Cc1ccc(cc1)NCC(=O)N 34a_100000124888_100000187820 [0,2,0,0,0,0|2,0,0]=4 4767 B12R1.21 Cc1ccc(cc1)NCC(=O)[O-] 34a_100000124888_100020667443 [0,2,0,0,0,0|2,0,0]=4 4768 B12R1.21 Cc1ccc(cc1)OCC(=O)N 34a_100000210336_100000187820 [0,2,0,0,0,0|1,0,0]=3 4769 B12R1.21 Cc1ccc(cc1)OCC(=O)N 7a_100000210336_100000187820 [0,2,0,0,0,0|1,0,0]=3 4770 B12R1.21 Cc1ccc(cc1)OCC(=O)[13CH3] 1458a_100000182360_200025704644 [0,2,0,0,0,0|0,0,1]=3 4771 B12R1.21 Cc1ccc(cc1)OCC(=O)[O-] 34a_100000210336_100020667443 [0,2,0,0,0,0|1,0,0]=3 4772 B12R1.21 Cc1ccc(cc1)OCC(C)C 34a_100000210336_100000210624 [0,2,0,0,0,0|0,0,2]=4 4773 B12R1.21 Cc1ccc(cc1)OCC(C)C 7a_100000210336_100000210760 [0,2,0,0,0,0|0,0,2]=4 4774 B12R1.21 Cc1ccc(cc1)OCC(C)O 34a_100000210336_100011218427 [0,2,0,0,0,0|0,0,2]=4 4775 B12R1.21 Cc1ccc(cc1)OCC(C)O 7a_100000210336_100011218427 [0,2,0,0,0,0|0,0,2]=4 4776 B12R1.21 Cc1ccc(cc1)OCC(F)F 34a_100000210336_100011934356 [0,2,0,0,0,0|1,0,1]=4 4777 B12R1.21 Cc1ccc(cc1)OCC(F)F 7a_100000210336_100011934356 [0,2,0,0,0,0|1,0,1]=4 4778 B12R1.21 Cc1ccc(cc1)OC[C@@H](C)O 34a_100000210336_100009817552 [0,2,0,0,0,0|0,0,2]=4 4779 B12R1.21 Cc1ccc(cc1)OC[C@@H](C)O 7a_100000210336_100009817552 [0,2,0,0,0,0|0,0,2]=4 4780 B12R1.21 Cc1ccc(cc1)OC[N+](=O)[O-] 34a_100000210336_100000761209 [0,2,0,0,0,0|2,0,0]=4 4781 B12R1.21 Cc1ccc(cc1)SCC(=O)N 62a_100000186775_100000747473 [0,2,0,0,0,0|1,1,0]=4 4782 B12R1.21 Cc1ccc(cc1)SCC(=O)N 62a_100000747473_100000186775 [0,2,0,0,0,0|1,1,0]=4 4783 B12R1.21 Cc1ccc(cc1)SCC(=O)[13CH3] 1458a_100000179497_200025704644 [0,2,0,0,0,0|0,1,1]=4 4784 B12R1.21 Cc1ccc(cc1)SCC(=O)[O-] 62a_100000186775_100020667443 [0,2,0,0,0,0|1,1,0]=4 4785 B12R1.21 Cc1ccc(cc1)SCC(=O)[O-] 62a_100020667443_100000186775 [0,2,0,0,0,0|1,1,0]=4 4786 B12R1.21 Cc1ccc(cn1)OCC(=O)N 34a_100000745506_100000187820 [0,2,0,0,0,0|2,0,0]=4 4787 B12R1.21 Cc1ccc(cn1)OCC(=O)N 7a_100000745506_100000187820 [0,2,0,0,0,0|2,0,0]=4 4788 B12R1.21 Cc1ccc(cn1)OCC(=O)[O-] 34a_100000745506_100020667443 [0,2,0,0,0,0|2,0,0]=4 4789 B12R1.21 Cc1ccc(nc1)OCC(=O)N 34a_100000759353_100000187820 [0,2,0,0,0,0|2,0,0]=4 4790 B12R1.21 Cc1ccc(nc1)OCC(=O)[O-] 34a_100000759353_100020667443 [0,2,0,0,0,0|2,0,0]=4 4791 B12R1.21 FC(F)COc1ccc(cc1)Br 34a_100000185759_100011934356 [0,2,0,0,0,0|1,0,1]=4 4792 B12R1.21 FC(F)COc1ccc(cc1)Br 7a_100000185759_100011934356 [0,2,0,0,0,0|1,0,1]=4 4793 B12R1.21 FC(F)COc1ccc(cc1)Cl 34a_100000210216_100011934356 [0,2,0,0,0,0|1,0,1]=4 4794 B12R1.21 FC(F)COc1ccc(cc1)Cl 7a_100000210216_100011934356 [0,2,0,0,0,0|1,0,1]=4 4795 B12R1.21 FC(F)COc1ccc(cc1)I 34a_100000212066_100011934356 [0,2,0,0,0,0|1,0,1]=4 4796 B12R1.21 FC(F)COc1ccc(cc1)I 7a_100000212066_100011934356 [0,2,0,0,0,0|1,0,1]=4 4797 B12R1.21 Fc1ccc(cc1)OCC(F)F 34a_100000210339_100011934356 [0,2,0,0,0,0|1,0,1]=4 4798 B12R1.21 NC(=O)CCc1ccc(cc1)O 271570a_203496583355_200010110666 [0,2,0,0,0,0|2,0,0]=4 4799 B12R1.21 NC(=O)CNc1ccc(cc1)Br 2230a_100000210018_100000747473 [0,2,0,0,0,0|2,0,0]=4 4800 B12R1.21 NC(=O)CNc1ccc(cc1)Br 34a_100000210018_100000187820 [0,2,0,0,0,0|2,0,0]=4 4801 B12R1.21 NC(=O)CNc1ccc(cc1)Cl 2230a_100000210052_100000747473 [0,2,0,0,0,0|2,0,0]=4 4802 B12R1.21 NC(=O)CNc1ccc(cc1)Cl 34a_100000210052_100000187820 [0,2,0,0,0,0|2,0,0]=4 4803 B12R1.21 NC(=O)CNc1ccc(cc1)F 34a_100000185862_100000187820 [0,2,0,0,0,0|2,0,0]=4 4804 B12R1.21 NC(=O)CNc1ccc(cc1)I 34a_100000185761_100000187820 [0,2,0,0,0,0|2,0,0]=4 4805 B12R1.21 NC(=O)CNc1ccc(cc1)O 34a_100000185829_100000187820 [0,2,0,0,0,0|2,0,0]=4 4806 B12R1.21 NC(=O)COc1ccc(=O)[nH]c1 34a_100000075641_100000187820 [0,2,0,0,0,0|2,0,0]=4 4807 B12R1.21 NC(=O)COc1ccc(cc1)Br 34a_100000185759_100000187820 [0,2,0,0,0,0|1,0,0]=3 4808 B12R1.21 NC(=O)COc1ccc(cc1)Br 7a_100000185759_100000187820 [0,2,0,0,0,0|1,0,0]=3 4809 B12R1.21 NC(=O)COc1ccc(cc1)Cl 34a_100000210216_100000187820 [0,2,0,0,0,0|1,0,0]=3 4810 B12R1.21 NC(=O)COc1ccc(cc1)Cl 7a_100000210216_100000187820 [0,2,0,0,0,0|1,0,0]=3 4811 B12R1.21 NC(=O)COc1ccc(cc1)F 34a_100000210339_100000187820 [0,2,0,0,0,0|1,0,0]=3 4812 B12R1.21 NC(=O)COc1ccc(cc1)I 34a_100000212066_100000187820 [0,2,0,0,0,0|1,0,0]=3 4813 B12R1.21 NC(=O)COc1ccc(cc1)I 7a_100000212066_100000187820 [0,2,0,0,0,0|1,0,0]=3 4814 B12R1.21 NC(=O)COc1ccc(cc1)N 34a_100000185829_100000187820 [0,2,0,0,0,0|1,0,0]=3 4815 B12R1.21 NC(=O)COc1ccc(cn1)Cl 34a_100011215309_100000187820 [0,2,0,0,0,0|2,0,0]=4 4816 B12R1.21 NC(=O)COc1ccc(cn1)F 34a_100000742473_100000187820 [0,2,0,0,0,0|2,0,0]=4 4817 B12R1.21 NC(=O)COc1ccc(cn1)N 34a_100000729260_100000187820 [0,2,0,0,0,0|2,0,0]=4 4818 B12R1.21 NC(=O)COc1ccc(nc1)Br 34a_100000685995_100000187820 [0,2,0,0,0,0|2,0,0]=4 4819 B12R1.21 NC(=O)COc1ccc(nc1)Br 7a_100000685995_100000187820 [0,2,0,0,0,0|2,0,0]=4 4820 B12R1.21 NC(=O)COc1ccc(nc1)Cl 34a_100000744096_100000187820 [0,2,0,0,0,0|2,0,0]=4 4821 B12R1.21 NC(=O)COc1ccc(nc1)Cl 7a_100000744096_100000187820 [0,2,0,0,0,0|2,0,0]=4 4822 B12R1.21 NC(=O)COc1ccc(nc1)F 34a_100000688820_100000187820 [0,2,0,0,0,0|2,0,0]=4 4823 B12R1.21 NC(=O)COc1ccc(nc1)F 7a_100000688820_100000187820 [0,2,0,0,0,0|2,0,0]=4 4824 B12R1.21 NC(=O)COc1ccc(nc1)I 34a_100000687607_100000187820 [0,2,0,0,0,0|2,0,0]=4 4825 B12R1.21 NC(=O)COc1ccc(nc1)I 7a_100000687607_100000187820 [0,2,0,0,0,0|2,0,0]=4 4826 B12R1.21 NC(=O)COc1ccc(nc1)N 34a_100015188713_100000187820 [0,2,0,0,0,0|2,0,0]=4 4827 B12R1.21 NC(=O)COc1ccc(nc1)N 7a_100015188713_100000187820 [0,2,0,0,0,0|2,0,0]=4 4828 B12R1.21 NC(=O)CSc1ccc(cc1)Br 62a_100000747473_100000752885 [0,2,0,0,0,0|1,1,0]=4 4829 B12R1.21 NC(=O)CSc1ccc(cc1)Br 62a_100000752885_100000747473 [0,2,0,0,0,0|1,1,0]=4 4830 B12R1.21 NC(=O)CSc1ccc(cc1)Cl 62a_100000747473_100000755918 [0,2,0,0,0,0|1,1,0]=4 4831 B12R1.21 NC(=O)CSc1ccc(cc1)Cl 62a_100000755918_100000747473 [0,2,0,0,0,0|1,1,0]=4 4832 B12R1.21 NC(=O)CSc1ccc(cc1)F 62a_100000211213_100000747473 [0,2,0,0,0,0|1,1,0]=4 4833 B12R1.21 NC(=O)CSc1ccc(cc1)F 62a_100000747473_100000211213 [0,2,0,0,0,0|1,1,0]=4 4834 B12R1.21 NC(=O)CSc1ccc(cc1)N 62a_100000185761_100000747473 [0,2,0,0,0,0|1,1,0]=4 4835 B12R1.21 NC(=O)CSc1ccc(cc1)N 62a_100000747473_100000185761 [0,2,0,0,0,0|1,1,0]=4 4836 B12R1.21 NC(=O)CSc1ccc(cc1)O 271570a_203496583355_100000149456 [0,2,0,0,0,0|1,1,0]=4 4837 B12R1.21 NC(=O)CSc1ccc(cc1)O 62a_100000747473_100000185759 [0,2,0,0,0,0|1,1,0]=4 4838 B12R1.21 Nc1ccc(cc1)OCC(=O)[O-] 34a_100000185829_100020667443 [0,2,0,0,0,0|1,0,0]=3 4839 B12R1.21 Nc1ccc(cc1)OCC(F)F 34a_100000185829_100011934356 [0,2,0,0,0,0|1,0,1]=4 4840 B12R1.21 Nc1ccc(cc1)OC[N+](=O)[O-] 34a_100000185829_100000761209 [0,2,0,0,0,0|2,0,0]=4 4841 B12R1.21 Nc1ccc(cc1)SCC(=O)[O-] 62a_100000185761_100020667443 [0,2,0,0,0,0|1,1,0]=4 4842 B12R1.21 Nc1ccc(cc1)SCC(=O)[O-] 62a_100020667443_100000185761 [0,2,0,0,0,0|1,1,0]=4 4843 B12R1.21 Nc1ccc(cn1)OCC(=O)[O-] 34a_100015188713_100020667443 [0,2,0,0,0,0|2,0,0]=4 4844 B12R1.21 Nc1ccc(nc1)OCC(=O)[O-] 34a_100000729260_100020667443 [0,2,0,0,0,0|2,0,0]=4 4845 B12R1.21 O=C([O-])CNc1ccc(cc1)Br 34a_100000210018_100020667443 [0,2,0,0,0,0|2,0,0]=4 4846 B12R1.21 O=C([O-])CNc1ccc(cc1)Cl 34a_100000210052_100020667443 [0,2,0,0,0,0|2,0,0]=4 4847 B12R1.21 O=C([O-])CNc1ccc(cc1)F 34a_100000185862_100020667443 [0,2,0,0,0,0|2,0,0]=4 4848 B12R1.21 O=C([O-])CNc1ccc(cc1)I 34a_100000185761_100020667443 [0,2,0,0,0,0|2,0,0]=4 4849 B12R1.21 O=C([O-])CNc1ccc(cc1)O 34a_100000185829_100020667443 [0,2,0,0,0,0|2,0,0]=4 4850 B12R1.21 O=C([O-])COc1ccc(=O)[nH]c1 34a_100000075641_100020667443 [0,2,0,0,0,0|2,0,0]=4 4851 B12R1.21 O=C([O-])COc1ccc(cc1)Br 34a_100000185759_100020667443 [0,2,0,0,0,0|1,0,0]=3 4852 B12R1.21 O=C([O-])COc1ccc(cc1)Cl 34a_100000210216_100020667443 [0,2,0,0,0,0|1,0,0]=3 4853 B12R1.21 O=C([O-])COc1ccc(cc1)F 34a_100000210339_100020667443 [0,2,0,0,0,0|1,0,0]=3 4854 B12R1.21 O=C([O-])COc1ccc(cc1)I 34a_100000212066_100020667443 [0,2,0,0,0,0|1,0,0]=3 4855 B12R1.21 O=C([O-])COc1ccc(cn1)Cl 34a_100011215309_100020667443 [0,2,0,0,0,0|2,0,0]=4 4856 B12R1.21 O=C([O-])COc1ccc(cn1)F 34a_100000742473_100020667443 [0,2,0,0,0,0|2,0,0]=4 4857 B12R1.21 O=C([O-])COc1ccc(nc1)Br 34a_100000685995_100020667443 [0,2,0,0,0,0|2,0,0]=4 4858 B12R1.21 O=C([O-])COc1ccc(nc1)Cl 34a_100000744096_100020667443 [0,2,0,0,0,0|2,0,0]=4 4859 B12R1.21 O=C([O-])COc1ccc(nc1)F 34a_100000688820_100020667443 [0,2,0,0,0,0|2,0,0]=4 4860 B12R1.21 O=C([O-])COc1ccc(nc1)I 34a_100000687607_100020667443 [0,2,0,0,0,0|2,0,0]=4 4861 B12R1.21 O=C([O-])CSc1ccc(cc1)Br 62a_100000752885_100020667443 [0,2,0,0,0,0|1,1,0]=4 4862 B12R1.21 O=C([O-])CSc1ccc(cc1)Br 62a_100020667443_100000752885 [0,2,0,0,0,0|1,1,0]=4 4863 B12R1.21 O=C([O-])CSc1ccc(cc1)Cl 62a_100000755918_100020667443 [0,2,0,0,0,0|1,1,0]=4 4864 B12R1.21 O=C([O-])CSc1ccc(cc1)Cl 62a_100020667443_100000755918 [0,2,0,0,0,0|1,1,0]=4 4865 B12R1.21 O=C([O-])CSc1ccc(cc1)F 62a_100000211213_100020667443 [0,2,0,0,0,0|1,1,0]=4 4866 B12R1.21 O=C([O-])CSc1ccc(cc1)F 62a_100020667443_100000211213 [0,2,0,0,0,0|1,1,0]=4 4867 B12R1.21 O=C([O-])CSc1ccc(cc1)O 62a_100020667443_100000185759 [0,2,0,0,0,0|1,1,0]=4 4868 B12R1.21 O=[N+]([O-])COc1ccc(cc1)Br 34a_100000185759_100000761209 [0,2,0,0,0,0|2,0,0]=4 4869 B12R1.21 O=[N+]([O-])COc1ccc(cc1)Cl 34a_100000210216_100000761209 [0,2,0,0,0,0|2,0,0]=4 4870 B12R1.21 O=[N+]([O-])COc1ccc(cc1)F 34a_100000210339_100000761209 [0,2,0,0,0,0|2,0,0]=4 4871 B12R1.21 O=[N+]([O-])COc1ccc(cc1)I 34a_100000212066_100000761209 [0,2,0,0,0,0|2,0,0]=4 4872 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)Br 1458a_100000217147_200025704644 [0,2,0,0,0,0|1,0,1]=4 4873 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)Cl 1458a_100000235379_200025704644 [0,2,0,0,0,0|1,0,1]=4 4874 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)F 1458a_100000198493_200025704644 [0,2,0,0,0,0|1,0,1]=4 4875 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)I 1458a_100011217499_200025704644 [0,2,0,0,0,0|1,0,1]=4 4876 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)O 1458a_100000742835_200025704644 [0,2,0,0,0,0|1,0,1]=4 4877 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)Br 1458a_100000182358_200025704644 [0,2,0,0,0,0|0,0,1]=3 4878 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)Cl 1458a_100016990877_200025704644 [0,2,0,0,0,0|0,0,1]=3 4879 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)F 1458a_100000184765_200025704644 [0,2,0,0,0,0|0,0,1]=3 4880 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)I 1458a_100000184369_200025704644 [0,2,0,0,0,0|0,0,1]=3 4881 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)O 1458a_100000031633_200025704644 [0,2,0,0,0,0|0,0,1]=3 4882 B12R1.21 [13CH3]C(=O)CSc1ccc(cc1)Br 1458a_100000179496_200025704644 [0,2,0,0,0,0|0,1,1]=4 4883 B12R1.21 [13CH3]C(=O)CSc1ccc(cc1)Cl 1458a_100000178402_200025704644 [0,2,0,0,0,0|0,1,1]=4 4884 B12R1.21 [13CH3]C(=O)CSc1ccc(cc1)F 1458a_100000691584_200025704644 [0,2,0,0,0,0|0,1,1]=4 4885 B12R1.49 C#CC(C)Oc1ccc(cc1)Br 34a_100000185759_200000035995 [0,2,0,0,0,0|0,0,2]=4 4886 B12R1.49 C#CC(C)Oc1ccc(cc1)C 34a_100000210336_200000035995 [0,2,0,0,0,0|0,0,2]=4 4887 B12R1.49 C#CC(C)Oc1ccc(cc1)Cl 34a_100000210216_200000035995 [0,2,0,0,0,0|0,0,2]=4 4888 B12R1.49 C#CC(C)Oc1ccc(cc1)F 34a_100000210339_200000035995 [0,2,0,0,0,0|0,0,2]=4 4889 B12R1.49 C#CC(C)Oc1ccc(cc1)I 34a_100000212066_200000035995 [0,2,0,0,0,0|0,0,2]=4 4890 B12R1.49 C#CC(C)Oc1ccc(cc1)N 34a_100000185829_200000035995 [0,2,0,0,0,0|0,0,2]=4 4891 B12R1.49 C=CC(=O)Cc1ccc(cc1)Br 1458a_100000185746_100000189115 [0,2,0,0,0,0|1,0,1]=4 4892 B12R1.49 C=CC(=O)Cc1ccc(cc1)C 1458a_100000185746_100000210814 [0,2,0,0,0,0|1,0,1]=4 4893 B12R1.49 C=CC(=O)Cc1ccc(cc1)Cl 1458a_100000185746_100000694040 [0,2,0,0,0,0|1,0,1]=4 4894 B12R1.49 C=CC(=O)Cc1ccc(cc1)F 1458a_100000185746_100000198546 [0,2,0,0,0,0|1,0,1]=4 4895 B12R1.49 C=CC(=O)Cc1ccc(cc1)I 1458a_100000185746_100000189116 [0,2,0,0,0,0|1,0,1]=4 4896 B12R1.49 C=CC(=O)Nc1ccc(cc1)Br 1626a_100000210018_100000185746 [0,2,0,0,0,0|1,0,1]=4 4897 B12R1.49 C=CC(=O)Nc1ccc(cc1)Br 22a_100000210018_100000185746 [0,2,0,0,0,0|1,0,1]=4 4898 B12R1.49 C=CC(=O)Nc1ccc(cc1)C 1626a_100000124888_100000185746 [0,2,0,0,0,0|1,0,1]=4 4899 B12R1.49 C=CC(=O)Nc1ccc(cc1)C 22a_100000124888_100000185746 [0,2,0,0,0,0|1,0,1]=4 4900 B12R1.49 C=CC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100000185746 [0,2,0,0,0,0|1,0,1]=4 4901 B12R1.49 C=CC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000185746 [0,2,0,0,0,0|1,0,1]=4 4902 B12R1.49 C=CC(=O)Nc1ccc(cc1)F 1626a_100000185862_100000185746 [0,2,0,0,0,0|1,0,1]=4 4903 B12R1.49 C=CC(=O)Nc1ccc(cc1)F 22a_100000185862_100000185746 [0,2,0,0,0,0|1,0,1]=4 4904 B12R1.49 C=CC(=O)Nc1ccc(cc1)I 1626a_100000185761_100000185746 [0,2,0,0,0,0|1,0,1]=4 4905 B12R1.49 C=CC(=O)Nc1ccc(cc1)I 22a_100000185761_100000185746 [0,2,0,0,0,0|1,0,1]=4 4906 B12R1.49 C=CC(=O)Nc1ccc(cc1)O 22a_100000185829_100000185746 [0,2,0,0,0,0|1,0,1]=4 4907 B12R1.49 C=CC(C)Sc1cc[n+](cc1)[O-] 62a_100011215867_100000039755 [0,2,0,0,0,0|1,1,0]=4 4908 B12R1.49 C=CC(C)Sc1ccc(=O)[nH]c1 62a_100011215867_100000212171 [0,2,0,0,0,0|1,1,0]=4 4909 B12R1.49 C=CC(C)Sc1ccc(cc1)Br 62a_100011215867_100000752885 [0,2,0,0,0,0|0,1,0]=3 4910 B12R1.49 C=CC(C)Sc1ccc(cc1)C 62a_100011215867_100000186775 [0,2,0,0,0,0|0,1,0]=3 4911 B12R1.49 C=CC(C)Sc1ccc(cc1)Cl 62a_100011215867_100000755918 [0,2,0,0,0,0|0,1,0]=3 4912 B12R1.49 C=CC(C)Sc1ccc(cc1)F 62a_100011215867_100000211213 [0,2,0,0,0,0|0,1,0]=3 4913 B12R1.49 C=CC(C)Sc1ccc(cc1)N 62a_100011215867_100000185761 [0,2,0,0,0,0|0,1,0]=3 4914 B12R1.49 C=CC(C)Sc1ccc(cc1)O 62a_100011215867_100000185759 [0,2,0,0,0,0|0,1,0]=3 4915 B12R1.49 C=CC(C)Sc1ccc(cn1)Br 62a_100011215867_100000686858 [0,2,0,0,0,0|1,1,0]=4 4916 B12R1.49 C=CC(C)Sc1ccc(cn1)C 62a_100011215867_100000754016 [0,2,0,0,0,0|1,1,0]=4 4917 B12R1.49 C=CC(C)Sc1ccc(cn1)Cl 62a_100011215867_100011356976 [0,2,0,0,0,0|1,1,0]=4 4918 B12R1.49 C=CC(C)Sc1ccc(cn1)F 62a_100011215867_100000744514 [0,2,0,0,0,0|1,1,0]=4 4919 B12R1.49 C=CC(C)Sc1ccc(cn1)N 62a_100011215867_100000737798 [0,2,0,0,0,0|1,1,0]=4 4920 B12R1.49 C=CC(C)Sc1ccc(cn1)O 62a_100011215867_100000744096 [0,2,0,0,0,0|1,1,0]=4 4921 B12R1.49 C=CC(C)Sc1ccc(nc1)Br 62a_100011215867_100009814638 [0,2,0,0,0,0|1,1,0]=4 4922 B12R1.49 C=CC(C)Sc1ccc(nc1)C 62a_100011215867_100000751577 [0,2,0,0,0,0|1,1,0]=4 4923 B12R1.49 C=CC(C)Sc1ccc(nc1)Cl 62a_100011215867_100000034144 [0,2,0,0,0,0|1,1,0]=4 4924 B12R1.49 C=CC(C)Sc1ccc(nc1)F 62a_100011215867_100000042367 [0,2,0,0,0,0|1,1,0]=4 4925 B12R1.49 C=CC(C)Sc1ccc(nc1)N 62a_100011215867_100000187370 [0,2,0,0,0,0|1,1,0]=4 4926 B12R1.49 CC(C#N)Oc1ccc(cc1)Br 7a_100000185759_100000703298 [0,2,0,0,0,0|1,0,1]=4 4927 B12R1.49 CC(C#N)Oc1ccc(cc1)Cl 7a_100000210216_100000703298 [0,2,0,0,0,0|1,0,1]=4 4928 B12R1.49 CC(C#N)Oc1ccc(cc1)I 7a_100000212066_100000703298 [0,2,0,0,0,0|1,0,1]=4 4929 B12R1.49 CC(CO)Oc1ccc(cc1)Br 34a_100000185759_100012180447 [0,2,0,0,0,0|1,0,1]=4 4930 B12R1.49 CC(CO)Oc1ccc(cc1)Br 7a_100000185759_100012180447 [0,2,0,0,0,0|1,0,1]=4 4931 B12R1.49 CC(CO)Oc1ccc(cc1)Cl 34a_100000210216_100012180447 [0,2,0,0,0,0|1,0,1]=4 4932 B12R1.49 CC(CO)Oc1ccc(cc1)Cl 7a_100000210216_100012180447 [0,2,0,0,0,0|1,0,1]=4 4933 B12R1.49 CC(CO)Oc1ccc(cc1)F 34a_100000210339_100012180447 [0,2,0,0,0,0|1,0,1]=4 4934 B12R1.49 CC(CO)Oc1ccc(cc1)I 34a_100000212066_100012180447 [0,2,0,0,0,0|1,0,1]=4 4935 B12R1.49 CC(CO)Oc1ccc(cc1)I 7a_100000212066_100012180447 [0,2,0,0,0,0|1,0,1]=4 4936 B12R1.49 CC(CO)Oc1ccc(cc1)N 34a_100000185829_100012180447 [0,2,0,0,0,0|1,0,1]=4 4937 B12R1.49 CCC(C)Oc1ccc(cc1)Br 34a_100000185759_100011215416 [0,2,0,0,0,0|0,0,2]=4 4938 B12R1.49 CCC(C)Oc1ccc(cc1)Br 7a_100000185759_100000758301 [0,2,0,0,0,0|0,0,2]=4 4939 B12R1.49 CCC(C)Oc1ccc(cc1)C 34a_100000210336_100011215416 [0,2,0,0,0,0|0,0,2]=4 4940 B12R1.49 CCC(C)Oc1ccc(cc1)C 7a_100000210336_100000758301 [0,2,0,0,0,0|0,0,2]=4 4941 B12R1.49 CCC(C)Oc1ccc(cc1)Cl 34a_100000210216_100011215416 [0,2,0,0,0,0|0,0,2]=4 4942 B12R1.49 CCC(C)Oc1ccc(cc1)Cl 7a_100000210216_100000758301 [0,2,0,0,0,0|0,0,2]=4 4943 B12R1.49 CCC(C)Oc1ccc(cc1)F 34a_100000210339_100011215416 [0,2,0,0,0,0|0,0,2]=4 4944 B12R1.49 CCC(C)Oc1ccc(cc1)I 34a_100000212066_100011215416 [0,2,0,0,0,0|0,0,2]=4 4945 B12R1.49 CCC(C)Oc1ccc(cc1)I 7a_100000212066_100000758301 [0,2,0,0,0,0|0,0,2]=4 4946 B12R1.49 CCC(C)Oc1ccc(cc1)N 34a_100000185829_100011215416 [0,2,0,0,0,0|0,0,2]=4 4947 B12R1.49 Cc1ccc(cc1)OC(C)C#N 7a_100000210336_100000703298 [0,2,0,0,0,0|1,0,1]=4 4948 B12R1.49 Cc1ccc(cc1)OC(C)CO 34a_100000210336_100012180447 [0,2,0,0,0,0|1,0,1]=4 4949 B12R1.49 Cc1ccc(cc1)OC(C)CO 7a_100000210336_100012180447 [0,2,0,0,0,0|1,0,1]=4 4950 B12R1.69 C#CCOc1ccc(cc1Br)Br 34a_100000188717_100000184674 [0,2,0,0,0,0|0,0,2]=4 4951 B12R1.69 C#CCOc1ccc(cc1Br)Br 7a_100000188717_100000038162 [0,2,0,0,0,0|0,0,2]=4 4952 B12R1.69 C#CCOc1ccc(cc1Br)C 34a_100000210800_100000184674 [0,2,0,0,0,0|0,0,2]=4 4953 B12R1.69 C#CCOc1ccc(cc1Br)C 7a_100000210800_100000038162 [0,2,0,0,0,0|0,0,2]=4 4954 B12R1.69 C#CCOc1ccc(cc1Br)Cl 34a_100000211998_100000184674 [0,2,0,0,0,0|0,0,2]=4 4955 B12R1.69 C#CCOc1ccc(cc1Br)Cl 7a_100000211998_100000038162 [0,2,0,0,0,0|0,0,2]=4 4956 B12R1.69 C#CCOc1ccc(cc1Br)F 34a_100000211999_100000184674 [0,2,0,0,0,0|0,0,2]=4 4957 B12R1.69 C#CCOc1ccc(cc1Br)F 7a_100000211999_100000038162 [0,2,0,0,0,0|0,0,2]=4 4958 B12R1.69 C#CCOc1ccc(cc1Br)I 34a_100012361655_100000184674 [0,2,0,0,0,0|0,0,2]=4 4959 B12R1.69 C#CCOc1ccc(cc1Br)I 7a_100012361655_100000038162 [0,2,0,0,0,0|0,0,2]=4 4960 B12R1.69 C#CCOc1ccc(cc1Br)N 34a_100011534360_100000184674 [0,2,0,0,0,0|0,0,2]=4 4961 B12R1.69 C#CCOc1ccc(cc1Br)N 7a_100011534360_100000038162 [0,2,0,0,0,0|0,0,2]=4 4962 B12R1.69 C#CCOc1ccc(cc1C)Br 34a_100000186361_100000184674 [0,2,0,0,0,0|0,0,2]=4 4963 B12R1.69 C#CCOc1ccc(cc1C)Br 7a_100000186361_100000038162 [0,2,0,0,0,0|0,0,2]=4 4964 B12R1.69 C#CCOc1ccc(cc1C)C 34a_100000211776_100000184674 [0,2,0,0,0,0|0,0,2]=4 4965 B12R1.69 C#CCOc1ccc(cc1C)C 7a_100000211776_100000038162 [0,2,0,0,0,0|0,0,2]=4 4966 B12R1.69 C#CCOc1ccc(cc1C)Cl 34a_100000211091_100000184674 [0,2,0,0,0,0|0,0,2]=4 4967 B12R1.69 C#CCOc1ccc(cc1C)Cl 7a_100000211091_100000038162 [0,2,0,0,0,0|0,0,2]=4 4968 B12R1.69 C#CCOc1ccc(cc1C)F 34a_100000764316_100000184674 [0,2,0,0,0,0|0,0,2]=4 4969 B12R1.69 C#CCOc1ccc(cc1C)F 7a_100000764316_100000038162 [0,2,0,0,0,0|0,0,2]=4 4970 B12R1.69 C#CCOc1ccc(cc1C)I 34a_100011218673_100000184674 [0,2,0,0,0,0|0,0,2]=4 4971 B12R1.69 C#CCOc1ccc(cc1C)I 7a_100011218673_100000038162 [0,2,0,0,0,0|0,0,2]=4 4972 B12R1.69 C#CCOc1ccc(cc1C)N 34a_100011218179_100000184674 [0,2,0,0,0,0|0,0,2]=4 4973 B12R1.69 C#CCOc1ccc(cc1C)N 7a_100011218179_100000038162 [0,2,0,0,0,0|0,0,2]=4 4974 B12R1.69 C#CCOc1ccc(cc1Cl)Br 34a_100000186472_100000184674 [0,2,0,0,0,0|0,0,2]=4 4975 B12R1.69 C#CCOc1ccc(cc1Cl)Br 7a_100000186472_100000038162 [0,2,0,0,0,0|0,0,2]=4 4976 B12R1.69 C#CCOc1ccc(cc1Cl)C 34a_100000749699_100000184674 [0,2,0,0,0,0|0,0,2]=4 4977 B12R1.69 C#CCOc1ccc(cc1Cl)C 7a_100000749699_100000038162 [0,2,0,0,0,0|0,0,2]=4 4978 B12R1.69 C#CCOc1ccc(cc1Cl)Cl 34a_100015191787_100000184674 [0,2,0,0,0,0|0,0,2]=4 4979 B12R1.69 C#CCOc1ccc(cc1Cl)Cl 7a_100015191787_100000038162 [0,2,0,0,0,0|0,0,2]=4 4980 B12R1.69 C#CCOc1ccc(cc1Cl)F 34a_100000212004_100000184674 [0,2,0,0,0,0|0,0,2]=4 4981 B12R1.69 C#CCOc1ccc(cc1Cl)F 7a_100000212004_100000038162 [0,2,0,0,0,0|0,0,2]=4 4982 B12R1.69 C#CCOc1ccc(cc1Cl)I 34a_100012360047_100000184674 [0,2,0,0,0,0|0,0,2]=4 4983 B12R1.69 C#CCOc1ccc(cc1Cl)I 7a_100012360047_100000038162 [0,2,0,0,0,0|0,0,2]=4 4984 B12R1.69 C#CCOc1ccc(cc1Cl)N 34a_100000744943_100000184674 [0,2,0,0,0,0|0,0,2]=4 4985 B12R1.69 C#CCOc1ccc(cc1Cl)N 7a_100000744943_100000038162 [0,2,0,0,0,0|0,0,2]=4 4986 B12R1.69 C#CCOc1ccc(cc1F)Br 34a_100000185481_100000184674 [0,2,0,0,0,0|0,0,2]=4 4987 B12R1.69 C#CCOc1ccc(cc1F)Br 7a_100000185481_100000038162 [0,2,0,0,0,0|0,0,2]=4 4988 B12R1.69 C#CCOc1ccc(cc1F)C 34a_100011216688_100000184674 [0,2,0,0,0,0|0,0,2]=4 4989 B12R1.69 C#CCOc1ccc(cc1F)C 7a_100011216688_100000038162 [0,2,0,0,0,0|0,0,2]=4 4990 B12R1.69 C#CCOc1ccc(cc1F)Cl 34a_100000230166_100000184674 [0,2,0,0,0,0|0,0,2]=4 4991 B12R1.69 C#CCOc1ccc(cc1F)Cl 7a_100000230166_100000038162 [0,2,0,0,0,0|0,0,2]=4 4992 B12R1.69 C#CCOc1ccc(cc1F)F 34a_100000230127_100000184674 [0,2,0,0,0,0|0,0,2]=4 4993 B12R1.69 C#CCOc1ccc(cc1F)F 7a_100000230127_100000038162 [0,2,0,0,0,0|0,0,2]=4 4994 B12R1.69 C#CCOc1ccc(cc1F)I 34a_100011356965_100000184674 [0,2,0,0,0,0|0,0,2]=4 4995 B12R1.69 C#CCOc1ccc(cc1F)I 7a_100011356965_100000038162 [0,2,0,0,0,0|0,0,2]=4 4996 B12R1.69 C#CCOc1ccc(cc1F)N 34a_100011220035_100000184674 [0,2,0,0,0,0|0,0,2]=4 4997 B12R1.69 C#CCOc1ccc(cc1F)N 7a_100011220035_100000038162 [0,2,0,0,0,0|0,0,2]=4 4998 B12R1.69 C#CCOc1ccc(cc1I)Br 34a_100012355227_100000184674 [0,2,0,0,0,0|0,0,2]=4 4999 B12R1.69 C#CCOc1ccc(cc1I)Br 7a_100012355227_100000038162 [0,2,0,0,0,0|0,0,2]=4 5000 B12R1.69 C#CCOc1ccc(cc1I)C 34a_100000765521_100000184674 [0,2,0,0,0,0|0,0,2]=4 5001 B12R1.69 C#CCOc1ccc(cc1I)C 7a_100000765521_100000038162 [0,2,0,0,0,0|0,0,2]=4 5002 B12R1.69 C#CCOc1ccc(cc1I)Cl 34a_100011356953_100000184674 [0,2,0,0,0,0|0,0,2]=4 5003 B12R1.69 C#CCOc1ccc(cc1I)Cl 7a_100011356953_100000038162 [0,2,0,0,0,0|0,0,2]=4 5004 B12R1.69 C#CCOc1ccc(cc1I)F 34a_100012355409_100000184674 [0,2,0,0,0,0|0,0,2]=4 5005 B12R1.69 C#CCOc1ccc(cc1I)F 7a_100012355409_100000038162 [0,2,0,0,0,0|0,0,2]=4 5006 B12R1.69 C#CCOc1ccc(cc1I)I 7a_100010001573_100000038162 [0,2,0,0,0,0|0,0,2]=4 5007 B12R1.69 C#CCOc1ccc(cc1N)Br 34a_100000752626_100000184674 [0,2,0,0,0,0|0,0,2]=4 5008 B12R1.69 C#CCOc1ccc(cc1N)Br 7a_100000752626_100000038162 [0,2,0,0,0,0|0,0,2]=4 5009 B12R1.69 C#CCOc1ccc(cc1N)C 34a_100011215204_100000184674 [0,2,0,0,0,0|0,0,2]=4 5010 B12R1.69 C#CCOc1ccc(cc1N)C 7a_100011215204_100000038162 [0,2,0,0,0,0|0,0,2]=4 5011 B12R1.69 C#CCOc1ccc(cc1N)Cl 34a_100000210500_100000184674 [0,2,0,0,0,0|0,0,2]=4 5012 B12R1.69 C#CCOc1ccc(cc1N)Cl 7a_100000210500_100000038162 [0,2,0,0,0,0|0,0,2]=4 5013 B12R1.69 C#CCOc1ccc(cc1N)F 34a_100000759472_100000184674 [0,2,0,0,0,0|0,0,2]=4 5014 B12R1.69 C#CCOc1ccc(cc1N)F 7a_100000759472_100000038162 [0,2,0,0,0,0|0,0,2]=4 5015 B12R1.69 C#CCOc1ccc(cc1N)I 34a_100000753495_100000184674 [0,2,0,0,0,0|0,0,2]=4 5016 B12R1.69 C#CCOc1ccc(cc1N)I 7a_100000753495_100000038162 [0,2,0,0,0,0|0,0,2]=4 5017 B12R1.69 C#CCOc1ccc(cc1N)N 34a_100000725306_100000184674 [0,2,0,0,0,0|0,0,2]=4 5018 B12R1.69 C=CCNc1ccc(cc1Br)Br 34a_100000211012_100015514636 [0,2,0,0,0,0|1,0,0]=3 5019 B12R1.69 C=CCNc1ccc(cc1Br)C 34a_100000210942_100015514636 [0,2,0,0,0,0|1,0,0]=3 5020 B12R1.69 C=CCNc1ccc(cc1Br)Cl 34a_100000752454_100015514636 [0,2,0,0,0,0|1,0,0]=3 5021 B12R1.69 C=CCNc1ccc(cc1Br)F 34a_100000738039_100015514636 [0,2,0,0,0,0|1,0,0]=3 5022 B12R1.69 C=CCNc1ccc(cc1Br)O 34a_100012001276_100015514636 [0,2,0,0,0,0|1,0,0]=3 5023 B12R1.69 C=CCNc1ccc(cc1C)Br 34a_100000211769_100015514636 [0,2,0,0,0,0|1,0,0]=3 5024 B12R1.69 C=CCNc1ccc(cc1C)Br 7a_100000211769_100015514636 [0,2,0,0,0,0|1,0,0]=3 5025 B12R1.69 C=CCNc1ccc(cc1C)C 34a_100000736561_100015514636 [0,2,0,0,0,0|1,0,0]=3 5026 B12R1.69 C=CCNc1ccc(cc1C)C 7a_100000736561_100015514636 [0,2,0,0,0,0|1,0,0]=3 5027 B12R1.69 C=CCNc1ccc(cc1C)Cl 34a_100000210418_100015514636 [0,2,0,0,0,0|1,0,0]=3 5028 B12R1.69 C=CCNc1ccc(cc1C)Cl 7a_100000210418_100015514636 [0,2,0,0,0,0|1,0,0]=3 5029 B12R1.69 C=CCNc1ccc(cc1C)F 34a_100000211637_100015514636 [0,2,0,0,0,0|1,0,0]=3 5030 B12R1.69 C=CCNc1ccc(cc1C)F 7a_100000211637_100015514636 [0,2,0,0,0,0|1,0,0]=3 5031 B12R1.69 C=CCNc1ccc(cc1C)I 34a_100000184554_100015514636 [0,2,0,0,0,0|1,0,0]=3 5032 B12R1.69 C=CCNc1ccc(cc1C)I 7a_100000184554_100015514636 [0,2,0,0,0,0|1,0,0]=3 5033 B12R1.69 C=CCNc1ccc(cc1C)O 34a_100000756630_100015514636 [0,2,0,0,0,0|1,0,0]=3 5034 B12R1.69 C=CCNc1ccc(cc1Cl)Br 34a_100000211467_100015514636 [0,2,0,0,0,0|1,0,0]=3 5035 B12R1.69 C=CCNc1ccc(cc1Cl)C 34a_100000210522_100015514636 [0,2,0,0,0,0|1,0,0]=3 5036 B12R1.69 C=CCNc1ccc(cc1Cl)Cl 34a_100000185861_100015514636 [0,2,0,0,0,0|1,0,0]=3 5037 B12R1.69 C=CCNc1ccc(cc1Cl)F 34a_100000212003_100015514636 [0,2,0,0,0,0|1,0,0]=3 5038 B12R1.69 C=CCNc1ccc(cc1Cl)I 34a_100011218065_100015514636 [0,2,0,0,0,0|1,0,0]=3 5039 B12R1.69 C=CCNc1ccc(cc1Cl)O 34a_100011215599_100015514636 [0,2,0,0,0,0|1,0,0]=3 5040 B12R1.69 C=CCNc1ccc(cc1F)Br 34a_100000210722_100015514636 [0,2,0,0,0,0|1,0,0]=3 5041 B12R1.69 C=CCNc1ccc(cc1F)C 34a_100000211023_100015514636 [0,2,0,0,0,0|1,0,0]=3 5042 B12R1.69 C=CCNc1ccc(cc1F)Cl 34a_100000211020_100015514636 [0,2,0,0,0,0|1,0,0]=3 5043 B12R1.69 C=CCNc1ccc(cc1F)F 34a_100000210720_100015514636 [0,2,0,0,0,0|1,0,0]=3 5044 B12R1.69 C=CCNc1ccc(cc1F)I 34a_100011215594_100015514636 [0,2,0,0,0,0|1,0,0]=3 5045 B12R1.69 C=CCNc1ccc(cc1F)O 34a_100000759473_100015514636 [0,2,0,0,0,0|1,0,0]=3 5046 B12R1.69 C=CCNc1ccc(cc1I)Br 34a_100000187925_100015514636 [0,2,0,0,0,0|1,0,0]=3 5047 B12R1.69 C=CCNc1ccc(cc1I)C 34a_100011356834_100015514636 [0,2,0,0,0,0|1,0,0]=3 5048 B12R1.69 C=CCNc1ccc(cc1I)Cl 34a_100000761889_100015514636 [0,2,0,0,0,0|1,0,0]=3 5049 B12R1.69 C=CCNc1ccc(cc1I)F 34a_100000760547_100015514636 [0,2,0,0,0,0|1,0,0]=3 5050 B12R1.69 C=CCNc1ccc(cc1I)O 34a_100010084370_100015514636 [0,2,0,0,0,0|1,0,0]=3 5051 B12R1.69 C=CCNc1ccc(cc1O)Br 34a_100000739049_100015514636 [0,2,0,0,0,0|1,0,0]=3 5052 B12R1.69 C=CCNc1ccc(cc1O)C 34a_100000211527_100015514636 [0,2,0,0,0,0|1,0,0]=3 5053 B12R1.69 C=CCNc1ccc(cc1O)Cl 34a_100000185728_100015514636 [0,2,0,0,0,0|1,0,0]=3 5054 B12R1.69 C=CCNc1ccc(cc1O)F 34a_100000753323_100015514636 [0,2,0,0,0,0|1,0,0]=3 5055 B12R1.69 C=CCNc1ccc(cc1O)O 34a_100000106777_100015514636 [0,2,0,0,0,0|1,0,0]=3 5056 B12R1.69 C=CCOc1ccc(cc1Br)Br 34a_100000188717_100015514636 [0,2,0,0,0,0|0,0,0]=2 5057 B12R1.69 C=CCOc1ccc(cc1Br)Br 7a_100000188717_100015514636 [0,2,0,0,0,0|0,0,0]=2 5058 B12R1.69 C=CCOc1ccc(cc1Br)C 34a_100000210800_100015514636 [0,2,0,0,0,0|0,0,0]=2 5059 B12R1.69 C=CCOc1ccc(cc1Br)C 7a_100000210800_100015514636 [0,2,0,0,0,0|0,0,0]=2 5060 B12R1.69 C=CCOc1ccc(cc1Br)Cl 34a_100000211998_100015514636 [0,2,0,0,0,0|0,0,0]=2 5061 B12R1.69 C=CCOc1ccc(cc1Br)Cl 7a_100000211998_100015514636 [0,2,0,0,0,0|0,0,0]=2 5062 B12R1.69 C=CCOc1ccc(cc1Br)F 34a_100000211999_100015514636 [0,2,0,0,0,0|0,0,0]=2 5063 B12R1.69 C=CCOc1ccc(cc1Br)F 7a_100000211999_100015514636 [0,2,0,0,0,0|0,0,0]=2 5064 B12R1.69 C=CCOc1ccc(cc1Br)I 34a_100012361655_100015514636 [0,2,0,0,0,0|0,0,0]=2 5065 B12R1.69 C=CCOc1ccc(cc1Br)I 7a_100012361655_100015514636 [0,2,0,0,0,0|0,0,0]=2 5066 B12R1.69 C=CCOc1ccc(cc1Br)N 34a_100011534360_100015514636 [0,2,0,0,0,0|0,0,0]=2 5067 B12R1.69 C=CCOc1ccc(cc1Br)N 7a_100011534360_100015514636 [0,2,0,0,0,0|0,0,0]=2 5068 B12R1.69 C=CCOc1ccc(cc1C)Br 34a_100000186361_100015514636 [0,2,0,0,0,0|0,0,0]=2 5069 B12R1.69 C=CCOc1ccc(cc1C)Br 7a_100000186361_100015514636 [0,2,0,0,0,0|0,0,0]=2 5070 B12R1.69 C=CCOc1ccc(cc1C)C 34a_100000211776_100015514636 [0,2,0,0,0,0|0,0,0]=2 5071 B12R1.69 C=CCOc1ccc(cc1C)C 7a_100000211776_100015514636 [0,2,0,0,0,0|0,0,0]=2 5072 B12R1.69 C=CCOc1ccc(cc1C)Cl 34a_100000211091_100015514636 [0,2,0,0,0,0|0,0,0]=2 5073 B12R1.69 C=CCOc1ccc(cc1C)Cl 7a_100000211091_100015514636 [0,2,0,0,0,0|0,0,0]=2 5074 B12R1.69 C=CCOc1ccc(cc1C)F 34a_100000764316_100015514636 [0,2,0,0,0,0|0,0,0]=2 5075 B12R1.69 C=CCOc1ccc(cc1C)F 7a_100000764316_100015514636 [0,2,0,0,0,0|0,0,0]=2 5076 B12R1.69 C=CCOc1ccc(cc1C)I 34a_100011218673_100015514636 [0,2,0,0,0,0|0,0,0]=2 5077 B12R1.69 C=CCOc1ccc(cc1C)I 7a_100011218673_100015514636 [0,2,0,0,0,0|0,0,0]=2 5078 B12R1.69 C=CCOc1ccc(cc1C)N 34a_100011218179_100015514636 [0,2,0,0,0,0|0,0,0]=2 5079 B12R1.69 C=CCOc1ccc(cc1C)N 7a_100011218179_100015514636 [0,2,0,0,0,0|0,0,0]=2 5080 B12R1.69 C=CCOc1ccc(cc1Cl)Br 34a_100000186472_100015514636 [0,2,0,0,0,0|0,0,0]=2 5081 B12R1.69 C=CCOc1ccc(cc1Cl)Br 7a_100000186472_100015514636 [0,2,0,0,0,0|0,0,0]=2 5082 B12R1.69 C=CCOc1ccc(cc1Cl)C 34a_100000749699_100015514636 [0,2,0,0,0,0|0,0,0]=2 5083 B12R1.69 C=CCOc1ccc(cc1Cl)C 7a_100000749699_100015514636 [0,2,0,0,0,0|0,0,0]=2 5084 B12R1.69 C=CCOc1ccc(cc1Cl)Cl 34a_100015191787_100015514636 [0,2,0,0,0,0|0,0,0]=2 5085 B12R1.69 C=CCOc1ccc(cc1Cl)Cl 7a_100015191787_100015514636 [0,2,0,0,0,0|0,0,0]=2 5086 B12R1.69 C=CCOc1ccc(cc1Cl)F 34a_100000212004_100015514636 [0,2,0,0,0,0|0,0,0]=2 5087 B12R1.69 C=CCOc1ccc(cc1Cl)F 7a_100000212004_100015514636 [0,2,0,0,0,0|0,0,0]=2 5088 B12R1.69 C=CCOc1ccc(cc1Cl)I 34a_100012360047_100015514636 [0,2,0,0,0,0|0,0,0]=2 5089 B12R1.69 C=CCOc1ccc(cc1Cl)I 7a_100012360047_100015514636 [0,2,0,0,0,0|0,0,0]=2 5090 B12R1.69 C=CCOc1ccc(cc1Cl)N 34a_100000744943_100015514636 [0,2,0,0,0,0|0,0,0]=2 5091 B12R1.69 C=CCOc1ccc(cc1Cl)N 7a_100000744943_100015514636 [0,2,0,0,0,0|0,0,0]=2 5092 B12R1.69 C=CCOc1ccc(cc1F)Br 34a_100000185481_100015514636 [0,2,0,0,0,0|0,0,0]=2 5093 B12R1.69 C=CCOc1ccc(cc1F)Br 7a_100000185481_100015514636 [0,2,0,0,0,0|0,0,0]=2 5094 B12R1.69 C=CCOc1ccc(cc1F)C 34a_100011216688_100015514636 [0,2,0,0,0,0|0,0,0]=2 5095 B12R1.69 C=CCOc1ccc(cc1F)C 7a_100011216688_100015514636 [0,2,0,0,0,0|0,0,0]=2 5096 B12R1.69 C=CCOc1ccc(cc1F)Cl 34a_100000230166_100015514636 [0,2,0,0,0,0|0,0,0]=2 5097 B12R1.69 C=CCOc1ccc(cc1F)Cl 7a_100000230166_100015514636 [0,2,0,0,0,0|0,0,0]=2 5098 B12R1.69 C=CCOc1ccc(cc1F)F 34a_100000230127_100015514636 [0,2,0,0,0,0|0,0,0]=2 5099 B12R1.69 C=CCOc1ccc(cc1F)F 7a_100000230127_100015514636 [0,2,0,0,0,0|0,0,0]=2 5100 B12R1.69 C=CCOc1ccc(cc1F)I 34a_100011356965_100015514636 [0,2,0,0,0,0|0,0,0]=2 5101 B12R1.69 C=CCOc1ccc(cc1F)I 7a_100011356965_100015514636 [0,2,0,0,0,0|0,0,0]=2 5102 B12R1.69 C=CCOc1ccc(cc1F)N 34a_100011220035_100015514636 [0,2,0,0,0,0|0,0,0]=2 5103 B12R1.69 C=CCOc1ccc(cc1F)N 7a_100011220035_100015514636 [0,2,0,0,0,0|0,0,0]=2 5104 B12R1.69 C=CCOc1ccc(cc1I)Br 34a_100012355227_100015514636 [0,2,0,0,0,0|0,0,0]=2 5105 B12R1.69 C=CCOc1ccc(cc1I)Br 7a_100012355227_100015514636 [0,2,0,0,0,0|0,0,0]=2 5106 B12R1.69 C=CCOc1ccc(cc1I)C 34a_100000765521_100015514636 [0,2,0,0,0,0|0,0,0]=2 5107 B12R1.69 C=CCOc1ccc(cc1I)C 7a_100000765521_100015514636 [0,2,0,0,0,0|0,0,0]=2 5108 B12R1.69 C=CCOc1ccc(cc1I)Cl 34a_100011356953_100015514636 [0,2,0,0,0,0|0,0,0]=2 5109 B12R1.69 C=CCOc1ccc(cc1I)Cl 7a_100011356953_100015514636 [0,2,0,0,0,0|0,0,0]=2 5110 B12R1.69 C=CCOc1ccc(cc1I)F 34a_100012355409_100015514636 [0,2,0,0,0,0|0,0,0]=2 5111 B12R1.69 C=CCOc1ccc(cc1I)F 7a_100012355409_100015514636 [0,2,0,0,0,0|0,0,0]=2 5112 B12R1.69 C=CCOc1ccc(cc1I)I 7a_100010001573_100015514636 [0,2,0,0,0,0|0,0,0]=2 5113 B12R1.69 C=CCOc1ccc(cc1N)Br 34a_100000752626_100015514636 [0,2,0,0,0,0|0,0,0]=2 5114 B12R1.69 C=CCOc1ccc(cc1N)Br 7a_100000752626_100015514636 [0,2,0,0,0,0|0,0,0]=2 5115 B12R1.69 C=CCOc1ccc(cc1N)C 34a_100011215204_100015514636 [0,2,0,0,0,0|0,0,0]=2 5116 B12R1.69 C=CCOc1ccc(cc1N)C 7a_100011215204_100015514636 [0,2,0,0,0,0|0,0,0]=2 5117 B12R1.69 C=CCOc1ccc(cc1N)Cl 34a_100000210500_100015514636 [0,2,0,0,0,0|0,0,0]=2 5118 B12R1.69 C=CCOc1ccc(cc1N)Cl 7a_100000210500_100015514636 [0,2,0,0,0,0|0,0,0]=2 5119 B12R1.69 C=CCOc1ccc(cc1N)F 34a_100000759472_100015514636 [0,2,0,0,0,0|0,0,0]=2 5120 B12R1.69 C=CCOc1ccc(cc1N)F 7a_100000759472_100015514636 [0,2,0,0,0,0|0,0,0]=2 5121 B12R1.69 C=CCOc1ccc(cc1N)I 34a_100000753495_100015514636 [0,2,0,0,0,0|0,0,0]=2 5122 B12R1.69 C=CCOc1ccc(cc1N)I 7a_100000753495_100015514636 [0,2,0,0,0,0|0,0,0]=2 5123 B12R1.69 C=CCOc1ccc(cc1N)N 34a_100000725306_100015514636 [0,2,0,0,0,0|0,0,0]=2 5124 B12R1.69 C=CCOc1ccc(nc1Br)Br 34a_100009999766_100015514636 [0,2,0,0,0,0|1,0,0]=3 5125 B12R1.69 C=CCOc1ccc(nc1Br)Br 7a_100009999766_100015514636 [0,2,0,0,0,0|1,0,0]=3 5126 B12R1.69 C=CCOc1ccc(nc1Br)C 34a_100000702858_100015514636 [0,2,0,0,0,0|1,0,0]=3 5127 B12R1.69 C=CCOc1ccc(nc1Br)C 7a_100000702858_100015514636 [0,2,0,0,0,0|1,0,0]=3 5128 B12R1.69 C=CCOc1ccc(nc1Br)Cl 34a_100010219353_100015514636 [0,2,0,0,0,0|1,0,0]=3 5129 B12R1.69 C=CCOc1ccc(nc1Br)Cl 7a_100010219353_100015514636 [0,2,0,0,0,0|1,0,0]=3 5130 B12R1.69 C=CCOc1ccc(nc1Br)F 34a_100009887730_100015514636 [0,2,0,0,0,0|1,0,0]=3 5131 B12R1.69 C=CCOc1ccc(nc1Br)F 7a_100009887730_100015514636 [0,2,0,0,0,0|1,0,0]=3 5132 B12R1.69 C=CCOc1ccc(nc1Br)I 34a_100000725334_100015514636 [0,2,0,0,0,0|1,0,0]=3 5133 B12R1.69 C=CCOc1ccc(nc1Br)I 7a_100000725334_100015514636 [0,2,0,0,0,0|1,0,0]=3 5134 B12R1.69 C=CCOc1ccc(nc1C)Br 34a_100012002022_100015514636 [0,2,0,0,0,0|1,0,0]=3 5135 B12R1.69 C=CCOc1ccc(nc1C)Br 7a_100012002022_100015514636 [0,2,0,0,0,0|1,0,0]=3 5136 B12R1.69 C=CCOc1ccc(nc1C)C 34a_100011218912_100015514636 [0,2,0,0,0,0|1,0,0]=3 5137 B12R1.69 C=CCOc1ccc(nc1C)C 7a_100011218912_100015514636 [0,2,0,0,0,0|1,0,0]=3 5138 B12R1.69 C=CCOc1ccc(nc1C)Cl 34a_100012184626_100015514636 [0,2,0,0,0,0|1,0,0]=3 5139 B12R1.69 C=CCOc1ccc(nc1C)Cl 7a_100012184626_100015514636 [0,2,0,0,0,0|1,0,0]=3 5140 B12R1.69 C=CCOc1ccc(nc1C)F 34a_100009881036_100015514636 [0,2,0,0,0,0|1,0,0]=3 5141 B12R1.69 C=CCOc1ccc(nc1C)F 7a_100009881036_100015514636 [0,2,0,0,0,0|1,0,0]=3 5142 B12R1.69 C=CCOc1ccc(nc1C)I 34a_100010233687_100015514636 [0,2,0,0,0,0|1,0,0]=3 5143 B12R1.69 C=CCOc1ccc(nc1C)I 7a_100010233687_100015514636 [0,2,0,0,0,0|1,0,0]=3 5144 B12R1.69 C=CCOc1ccc(nc1Cl)Br 34a_100010246206_100015514636 [0,2,0,0,0,0|1,0,0]=3 5145 B12R1.69 C=CCOc1ccc(nc1Cl)Br 7a_100010246206_100015514636 [0,2,0,0,0,0|1,0,0]=3 5146 B12R1.69 C=CCOc1ccc(nc1Cl)C 34a_100000086286_100015514636 [0,2,0,0,0,0|1,0,0]=3 5147 B12R1.69 C=CCOc1ccc(nc1Cl)C 7a_100000086286_100015514636 [0,2,0,0,0,0|1,0,0]=3 5148 B12R1.69 C=CCOc1ccc(nc1Cl)Cl 34a_100000101165_100015514636 [0,2,0,0,0,0|1,0,0]=3 5149 B12R1.69 C=CCOc1ccc(nc1Cl)Cl 7a_100000101165_100015514636 [0,2,0,0,0,0|1,0,0]=3 5150 B12R1.69 C=CCOc1ccc(nc1Cl)I 34a_100000721234_100015514636 [0,2,0,0,0,0|1,0,0]=3 5151 B12R1.69 C=CCOc1ccc(nc1Cl)I 7a_100000721234_100015514636 [0,2,0,0,0,0|1,0,0]=3 5152 B12R1.69 C=CCOc1ccc(nc1F)Br 34a_100009819667_100015514636 [0,2,0,0,0,0|1,0,0]=3 5153 B12R1.69 C=CCOc1ccc(nc1F)Br 7a_100009819667_100015514636 [0,2,0,0,0,0|1,0,0]=3 5154 B12R1.69 C=CCOc1ccc(nc1F)C 34a_100000079963_100015514636 [0,2,0,0,0,0|1,0,0]=3 5155 B12R1.69 C=CCOc1ccc(nc1F)C 7a_100000079963_100015514636 [0,2,0,0,0,0|1,0,0]=3 5156 B12R1.69 C=CCOc1ccc(nc1F)Cl 34a_100009880201_100015514636 [0,2,0,0,0,0|1,0,0]=3 5157 B12R1.69 C=CCOc1ccc(nc1F)Cl 7a_100009880201_100015514636 [0,2,0,0,0,0|1,0,0]=3 5158 B12R1.69 C=CCOc1ccc(nc1F)F 34a_100000101184_100015514636 [0,2,0,0,0,0|1,0,0]=3 5159 B12R1.69 C=CCOc1ccc(nc1F)F 7a_100000101184_100015514636 [0,2,0,0,0,0|1,0,0]=3 5160 B12R1.69 C=CCOc1ccc(nc1I)Br 34a_100010253912_100015514636 [0,2,0,0,0,0|1,0,0]=3 5161 B12R1.69 C=CCOc1ccc(nc1I)Br 7a_100010253912_100015514636 [0,2,0,0,0,0|1,0,0]=3 5162 B12R1.69 C=CCOc1ccc(nc1I)C 34a_100000023897_100015514636 [0,2,0,0,0,0|1,0,0]=3 5163 B12R1.69 C=CCOc1ccc(nc1I)C 7a_100000023897_100015514636 [0,2,0,0,0,0|1,0,0]=3 5164 B12R1.69 C=CCOc1ccc(nc1I)Cl 34a_100000696390_100015514636 [0,2,0,0,0,0|1,0,0]=3 5165 B12R1.69 C=CCOc1ccc(nc1I)Cl 7a_100000696390_100015514636 [0,2,0,0,0,0|1,0,0]=3 5166 B12R1.69 C=CCOc1ccc(nc1I)F 34a_100010382442_100015514636 [0,2,0,0,0,0|1,0,0]=3 5167 B12R1.69 C=CCOc1ccc(nc1I)F 7a_100010382442_100015514636 [0,2,0,0,0,0|1,0,0]=3 5168 B12R1.69 C=CCOc1ccc(nc1N)Br 34a_100000685527_100015514636 [0,2,0,0,0,0|1,0,0]=3 5169 B12R1.69 C=CCOc1ccc(nc1N)Br 7a_100000685527_100015514636 [0,2,0,0,0,0|1,0,0]=3 5170 B12R1.69 C=CCOc1ccc(nc1N)C 34a_100000694039_100015514636 [0,2,0,0,0,0|1,0,0]=3 5171 B12R1.69 C=CCOc1ccc(nc1N)C 7a_100000694039_100015514636 [0,2,0,0,0,0|1,0,0]=3 5172 B12R1.69 C=CCOc1ccc(nc1N)Cl 34a_100000717809_100015514636 [0,2,0,0,0,0|1,0,0]=3 5173 B12R1.69 C=CCOc1ccc(nc1N)Cl 7a_100000717809_100015514636 [0,2,0,0,0,0|1,0,0]=3 5174 B12R1.69 C=CCOc1cnc(cc1Br)C 34a_100009843476_100015514636 [0,2,0,0,0,0|1,0,0]=3 5175 B12R1.69 C=CCOc1cnc(cc1Br)C 7a_100009843476_100015514636 [0,2,0,0,0,0|1,0,0]=3 5176 B12R1.69 C=CCOc1cnc(cc1C)C 34a_200000068632_100015514636 [0,2,0,0,0,0|1,0,0]=3 5177 B12R1.69 C=CCOc1cnc(cc1C)C 7a_200000068632_100015514636 [0,2,0,0,0,0|1,0,0]=3 5178 B12R1.69 C=CCOc1cnc(cc1C)Cl 34a_100000692680_100015514636 [0,2,0,0,0,0|1,0,0]=3 5179 B12R1.69 C=CCOc1cnc(cc1C)Cl 7a_100000692680_100015514636 [0,2,0,0,0,0|1,0,0]=3 5180 B12R1.69 C=CCOc1cnc(cc1C)F 34a_100009856773_100015514636 [0,2,0,0,0,0|1,0,0]=3 5181 B12R1.69 C=CCOc1cnc(cc1C)F 7a_100009856773_100015514636 [0,2,0,0,0,0|1,0,0]=3 5182 B12R1.69 C=CCOc1cnc(cc1Cl)Cl 34a_100009868576_100015514636 [0,2,0,0,0,0|1,0,0]=3 5183 B12R1.69 C=CCOc1cnc(cc1Cl)Cl 7a_100009868576_100015514636 [0,2,0,0,0,0|1,0,0]=3 5184 B12R1.69 C=CCOc1cnc(cc1F)F 34a_100009885687_100015514636 [0,2,0,0,0,0|1,0,0]=3 5185 B12R1.69 C=CCOc1cnc(cc1F)F 7a_100009885687_100015514636 [0,2,0,0,0,0|1,0,0]=3 5186 B12R1.69 C=CCOc1cnc(cc1I)Cl 34a_100000698892_100015514636 [0,2,0,0,0,0|1,0,0]=3 5187 B12R1.69 C=CCOc1cnc(cc1I)Cl 7a_100000698892_100015514636 [0,2,0,0,0,0|1,0,0]=3 5188 B12R1.69 C=CCOc1cnc(cc1N)Br 34a_100009819941_100015514636 [0,2,0,0,0,0|1,0,0]=3 5189 B12R1.69 C=CCOc1cnc(cc1N)Br 7a_100009819941_100015514636 [0,2,0,0,0,0|1,0,0]=3 5190 B12R1.69 C=CCOc1cnc(nc1C)C 34a_100009864123_100015514636 [0,2,0,0,0,0|2,0,0]=4 5191 B12R1.69 C=CCOc1cnc(nc1C)C 7a_100009864123_100015514636 [0,2,0,0,0,0|2,0,0]=4 5192 B12R1.69 C=CCOc1cnc(nc1Cl)Cl 34a_100010725077_100015514636 [0,2,0,0,0,0|2,0,0]=4 5193 B12R1.69 C=CCOc1cnc(nc1Cl)Cl 7a_100010725077_100015514636 [0,2,0,0,0,0|2,0,0]=4 5194 B12R1.69 C=CCOc1cnc(nc1N)N 7a_100025726691_100015514636 [0,2,0,0,0,0|2,0,0]=4 5195 B12R1.69 C=CCOc1coc(cc1=O)C 34a_100000081520_100015514636 [0,2,0,0,0,0|1,0,0]=3 5196 B12R1.69 C=CCOc1ncc(cc1Br)Br 34a_100000701035_100015514636 [0,2,0,0,0,0|1,0,0]=3 5197 B12R1.69 C=CCOc1ncc(cc1Br)C 34a_100000719714_100015514636 [0,2,0,0,0,0|1,0,0]=3 5198 B12R1.69 C=CCOc1ncc(cc1C)Br 34a_100000685391_100015514636 [0,2,0,0,0,0|1,0,0]=3 5199 B12R1.69 C=CCOc1ncc(cc1Cl)Br 34a_100012339560_100015514636 [0,2,0,0,0,0|1,0,0]=3 5200 B12R1.69 C=CCOc1ncc(cc1Cl)F 34a_100009847679_100015514636 [0,2,0,0,0,0|1,0,0]=3 5201 B12R1.69 C=CCOc1ncc(cc1F)Cl 34a_100011998252_100015514636 [0,2,0,0,0,0|1,0,0]=3 5202 B12R1.69 C=CCOc1ncc(cc1F)F 34a_100012025737_100015514636 [0,2,0,0,0,0|1,0,0]=3 5203 B12R1.69 C=CCOc1ncc(cc1N)Br 34a_100000743729_100015514636 [0,2,0,0,0,0|1,0,0]=3 5204 B12R1.69 C=CCOc1ncc(cc1N)C 34a_100012000488_100015514636 [0,2,0,0,0,0|1,0,0]=3 5205 B12R1.69 C=CCOc1ncc(cc1N)Cl 34a_100011998249_100015514636 [0,2,0,0,0,0|1,0,0]=3 5206 B12R1.69 C=CCOc1ncc(nc1Cl)Br 34a_100010734560_100015514636 [0,2,0,0,0,0|2,0,0]=4 5207 B12R1.69 C=CCSc1c[nH]c(=O)cc1F 62a_100000210623_100015631685 [0,2,0,0,0,0|1,1,0]=4 5208 B12R1.69 C=CCSc1c[nH]c(=O)cc1F 62a_100015631685_100000210623 [0,2,0,0,0,0|1,1,0]=4 5209 B12R1.69 C=CCSc1cc[n+](cc1C)[O-] 62a_100000210623_100000074940 [0,2,0,0,0,0|1,1,0]=4 5210 B12R1.69 C=CCSc1ccc(=O)[nH]c1N 62a_100009884077_100000210623 [0,2,0,0,0,0|1,1,0]=4 5211 B12R1.69 C=CCSc1ccc(c[n+]1[O-])C 62a_100000210623_100009819918 [0,2,0,0,0,0|1,1,0]=4 5212 B12R1.69 C=CCSc1ccc(c[n+]1[O-])F 62a_100000210623_100009817261 [0,2,0,0,0,0|1,1,0]=4 5213 B12R1.69 C=CCSc1ccc(c[n+]1[O-])F 62a_100009817261_100000210623 [0,2,0,0,0,0|1,1,0]=4 5214 B12R1.69 C=CCSc1ccc(cc1Br)Br 62a_100000210623_100011484698 [0,2,0,0,0,0|0,1,0]=3 5215 B12R1.69 C=CCSc1ccc(cc1Br)Br 62a_100011484698_100000210623 [0,2,0,0,0,0|0,1,0]=3 5216 B12R1.69 C=CCSc1ccc(cc1Br)C 62a_100000210623_100009813563 [0,2,0,0,0,0|0,1,0]=3 5217 B12R1.69 C=CCSc1ccc(cc1Br)C 62a_100009813563_100000210623 [0,2,0,0,0,0|0,1,0]=3 5218 B12R1.69 C=CCSc1ccc(cc1Br)Cl 62a_100000210623_100011219703 [0,2,0,0,0,0|0,1,0]=3 5219 B12R1.69 C=CCSc1ccc(cc1Br)Cl 62a_100011219703_100000210623 [0,2,0,0,0,0|0,1,0]=3 5220 B12R1.69 C=CCSc1ccc(cc1Br)F 62a_100000210623_100011217111 [0,2,0,0,0,0|0,1,0]=3 5221 B12R1.69 C=CCSc1ccc(cc1Br)F 62a_100011217111_100000210623 [0,2,0,0,0,0|0,1,0]=3 5222 B12R1.69 C=CCSc1ccc(cc1Br)N 62a_100000210623_100000750458 [0,2,0,0,0,0|0,1,0]=3 5223 B12R1.69 C=CCSc1ccc(cc1Br)N 62a_100000750458_100000210623 [0,2,0,0,0,0|0,1,0]=3 5224 B12R1.69 C=CCSc1ccc(cc1Br)O 62a_100000210623_100000701344 [0,2,0,0,0,0|0,1,0]=3 5225 B12R1.69 C=CCSc1ccc(cc1Br)O 62a_100000701344_100000210623 [0,2,0,0,0,0|0,1,0]=3 5226 B12R1.69 C=CCSc1ccc(cc1C)Br 62a_100000210623_100000701812 [0,2,0,0,0,0|0,1,0]=3 5227 B12R1.69 C=CCSc1ccc(cc1C)Br 62a_100000701812_100000210623 [0,2,0,0,0,0|0,1,0]=3 5228 B12R1.69 C=CCSc1ccc(cc1C)C 62a_100000210623_100011217332 [0,2,0,0,0,0|0,1,0]=3 5229 B12R1.69 C=CCSc1ccc(cc1C)C 62a_100011217332_100000210623 [0,2,0,0,0,0|0,1,0]=3 5230 B12R1.69 C=CCSc1ccc(cc1C)Cl 62a_100000210623_100011219607 [0,2,0,0,0,0|0,1,0]=3 5231 B12R1.69 C=CCSc1ccc(cc1C)Cl 62a_100011219607_100000210623 [0,2,0,0,0,0|0,1,0]=3 5232 B12R1.69 C=CCSc1ccc(cc1C)F 62a_100000210623_100011205405 [0,2,0,0,0,0|0,1,0]=3 5233 B12R1.69 C=CCSc1ccc(cc1C)F 62a_100011205405_100000210623 [0,2,0,0,0,0|0,1,0]=3 5234 B12R1.69 C=CCSc1ccc(cc1C)N 62a_100000210623_100000210723 [0,2,0,0,0,0|0,1,0]=3 5235 B12R1.69 C=CCSc1ccc(cc1C)N 62a_100000210723_100000210623 [0,2,0,0,0,0|0,1,0]=3 5236 B12R1.69 C=CCSc1ccc(cc1C)O 62a_100000210623_100000690111 [0,2,0,0,0,0|0,1,0]=3 5237 B12R1.69 C=CCSc1ccc(cc1Cl)Br 62a_100000210623_100011216062 [0,2,0,0,0,0|0,1,0]=3 5238 B12R1.69 C=CCSc1ccc(cc1Cl)Br 62a_100011216062_100000210623 [0,2,0,0,0,0|0,1,0]=3 5239 B12R1.69 C=CCSc1ccc(cc1Cl)C 62a_100000210623_100011263221 [0,2,0,0,0,0|0,1,0]=3 5240 B12R1.69 C=CCSc1ccc(cc1Cl)C 62a_100011263221_100000210623 [0,2,0,0,0,0|0,1,0]=3 5241 B12R1.69 C=CCSc1ccc(cc1Cl)Cl 62a_100000210623_100000699841 [0,2,0,0,0,0|0,1,0]=3 5242 B12R1.69 C=CCSc1ccc(cc1Cl)Cl 62a_100000699841_100000210623 [0,2,0,0,0,0|0,1,0]=3 5243 B12R1.69 C=CCSc1ccc(cc1Cl)F 62a_100000210623_100000733362 [0,2,0,0,0,0|0,1,0]=3 5244 B12R1.69 C=CCSc1ccc(cc1Cl)F 62a_100000733362_100000210623 [0,2,0,0,0,0|0,1,0]=3 5245 B12R1.69 C=CCSc1ccc(cc1Cl)N 62a_100000210623_100000761885 [0,2,0,0,0,0|0,1,0]=3 5246 B12R1.69 C=CCSc1ccc(cc1Cl)N 62a_100000761885_100000210623 [0,2,0,0,0,0|0,1,0]=3 5247 B12R1.69 C=CCSc1ccc(cc1Cl)O 62a_100000047559_100000210623 [0,2,0,0,0,0|0,1,0]=3 5248 B12R1.69 C=CCSc1ccc(cc1Cl)O 62a_100000210623_100000047559 [0,2,0,0,0,0|0,1,0]=3 5249 B12R1.69 C=CCSc1ccc(cc1F)Br 62a_100000210623_100009814013 [0,2,0,0,0,0|0,1,0]=3 5250 B12R1.69 C=CCSc1ccc(cc1F)Br 62a_100009814013_100000210623 [0,2,0,0,0,0|0,1,0]=3 5251 B12R1.69 C=CCSc1ccc(cc1F)C 62a_100000210623_100011216119 [0,2,0,0,0,0|0,1,0]=3 5252 B12R1.69 C=CCSc1ccc(cc1F)C 62a_100011216119_100000210623 [0,2,0,0,0,0|0,1,0]=3 5253 B12R1.69 C=CCSc1ccc(cc1F)Cl 62a_100000210623_100011216042 [0,2,0,0,0,0|0,1,0]=3 5254 B12R1.69 C=CCSc1ccc(cc1F)Cl 62a_100011216042_100000210623 [0,2,0,0,0,0|0,1,0]=3 5255 B12R1.69 C=CCSc1ccc(cc1F)F 62a_100000210623_100000750030 [0,2,0,0,0,0|0,1,0]=3 5256 B12R1.69 C=CCSc1ccc(cc1F)F 62a_100000750030_100000210623 [0,2,0,0,0,0|0,1,0]=3 5257 B12R1.69 C=CCSc1ccc(cc1F)N 62a_100000210623_100011356925 [0,2,0,0,0,0|0,1,0]=3 5258 B12R1.69 C=CCSc1ccc(cc1F)N 62a_100011356925_100000210623 [0,2,0,0,0,0|0,1,0]=3 5259 B12R1.69 C=CCSc1ccc(cc1F)O 62a_100000210623_100000755031 [0,2,0,0,0,0|0,1,0]=3 5260 B12R1.69 C=CCSc1ccc(cc1F)O 62a_100000755031_100000210623 [0,2,0,0,0,0|0,1,0]=3 5261 B12R1.69 C=CCSc1ccc(cc1N)Br 62a_100000210623_100000743836 [0,2,0,0,0,0|0,1,0]=3 5262 B12R1.69 C=CCSc1ccc(cc1N)Br 62a_100000743836_100000210623 [0,2,0,0,0,0|0,1,0]=3 5263 B12R1.69 C=CCSc1ccc(cc1N)C 62a_100000210623_100011216686 [0,2,0,0,0,0|0,1,0]=3 5264 B12R1.69 C=CCSc1ccc(cc1N)C 62a_100011216686_100000210623 [0,2,0,0,0,0|0,1,0]=3 5265 B12R1.69 C=CCSc1ccc(cc1N)Cl 62a_100000210623_100000761886 [0,2,0,0,0,0|0,1,0]=3 5266 B12R1.69 C=CCSc1ccc(cc1N)Cl 62a_100000761886_100000210623 [0,2,0,0,0,0|0,1,0]=3 5267 B12R1.69 C=CCSc1ccc(cc1N)F 62a_100000210623_100000687223 [0,2,0,0,0,0|0,1,0]=3 5268 B12R1.69 C=CCSc1ccc(cc1N)F 62a_100000687223_100000210623 [0,2,0,0,0,0|0,1,0]=3 5269 B12R1.69 C=CCSc1ccc(cc1N)N 62a_100000210623_200012175722 [0,2,0,0,0,0|0,1,0]=3 5270 B12R1.69 C=CCSc1ccc(cc1N)N 62a_200012175722_100000210623 [0,2,0,0,0,0|0,1,0]=3 5271 B12R1.69 C=CCSc1ccc(cc1N)O 62a_100000210623_100011999798 [0,2,0,0,0,0|0,1,0]=3 5272 B12R1.69 C=CCSc1ccc(cc1N)O 62a_100011999798_100000210623 [0,2,0,0,0,0|0,1,0]=3 5273 B12R1.69 C=CCSc1ccc(cc1O)Br 62a_100000210623_100012344904 [0,2,0,0,0,0|0,1,0]=3 5274 B12R1.69 C=CCSc1ccc(cc1O)Br 62a_100012344904_100000210623 [0,2,0,0,0,0|0,1,0]=3 5275 B12R1.69 C=CCSc1ccc(cc1O)C 62a_100000210623_100012002257 [0,2,0,0,0,0|0,1,0]=3 5276 B12R1.69 C=CCSc1ccc(cc1O)C 62a_100012002257_100000210623 [0,2,0,0,0,0|0,1,0]=3 5277 B12R1.69 C=CCSc1ccc(cc1O)Cl 62a_100000050036_100000210623 [0,2,0,0,0,0|0,1,0]=3 5278 B12R1.69 C=CCSc1ccc(cc1O)Cl 62a_100000210623_100000050036 [0,2,0,0,0,0|0,1,0]=3 5279 B12R1.69 C=CCSc1ccc(cc1O)F 62a_100000210623_100000690578 [0,2,0,0,0,0|0,1,0]=3 5280 B12R1.69 C=CCSc1ccc(cc1O)F 62a_100000690578_100000210623 [0,2,0,0,0,0|0,1,0]=3 5281 B12R1.69 C=CCSc1ccc(cc1O)O 62a_100000210623_100009813921 [0,2,0,0,0,0|0,1,0]=3 5282 B12R1.69 C=CCSc1ccc(nc1Br)N 62a_100000210623_100010734177 [0,2,0,0,0,0|1,1,0]=4 5283 B12R1.69 C=CCSc1ccc(nc1Br)N 62a_100010734177_100000210623 [0,2,0,0,0,0|1,1,0]=4 5284 B12R1.69 C=CCSc1ccc(nc1C)C 62a_100000210623_100009813853 [0,2,0,0,0,0|1,1,0]=4 5285 B12R1.69 C=CCSc1ccc(nc1C)C 62a_100009813853_100000210623 [0,2,0,0,0,0|1,1,0]=4 5286 B12R1.69 C=CCSc1ccc(nc1C)Cl 62a_100000062408_100000210623 [0,2,0,0,0,0|1,1,0]=4 5287 B12R1.69 C=CCSc1ccc(nc1C)Cl 62a_100000210623_100000062408 [0,2,0,0,0,0|1,1,0]=4 5288 B12R1.69 C=CCSc1ccc(nc1C)F 62a_100000210623_100000688911 [0,2,0,0,0,0|1,1,0]=4 5289 B12R1.69 C=CCSc1ccc(nc1C)F 62a_100000688911_100000210623 [0,2,0,0,0,0|1,1,0]=4 5290 B12R1.69 C=CCSc1ccc(nc1C)N 62a_100000187202_100000210623 [0,2,0,0,0,0|1,1,0]=4 5291 B12R1.69 C=CCSc1ccc(nc1C)N 62a_100000210623_100000187202 [0,2,0,0,0,0|1,1,0]=4 5292 B12R1.69 C=CCSc1ccc(nc1C)O 62a_100000210623_100000691680 [0,2,0,0,0,0|1,1,0]=4 5293 B12R1.69 C=CCSc1ccc(nc1C)O 62a_100000691680_100000210623 [0,2,0,0,0,0|1,1,0]=4 5294 B12R1.69 C=CCSc1ccc(nc1Cl)Br 62a_100000210623_100010246183 [0,2,0,0,0,0|1,1,0]=4 5295 B12R1.69 C=CCSc1ccc(nc1Cl)Br 62a_100010246183_100000210623 [0,2,0,0,0,0|1,1,0]=4 5296 B12R1.69 C=CCSc1ccc(nc1Cl)Cl 62a_100000210623_100000043682 [0,2,0,0,0,0|1,1,0]=4 5297 B12R1.69 C=CCSc1ccc(nc1Cl)N 62a_100000210623_100010270343 [0,2,0,0,0,0|1,1,0]=4 5298 B12R1.69 C=CCSc1ccc(nc1Cl)N 62a_100010270343_100000210623 [0,2,0,0,0,0|1,1,0]=4 5299 B12R1.69 C=CCSc1ccc(nc1F)C 62a_100000210623_100010006597 [0,2,0,0,0,0|1,1,0]=4 5300 B12R1.69 C=CCSc1ccc(nc1F)C 62a_100010006597_100000210623 [0,2,0,0,0,0|1,1,0]=4 5301 B12R1.69 C=CCSc1ccc(nc1F)Cl 62a_100000210623_100010168078 [0,2,0,0,0,0|1,1,0]=4 5302 B12R1.69 C=CCSc1ccc(nc1F)Cl 62a_100010168078_100000210623 [0,2,0,0,0,0|1,1,0]=4 5303 B12R1.69 C=CCSc1ccc(nc1F)F 62a_100000070099_100000210623 [0,2,0,0,0,0|1,1,0]=4 5304 B12R1.69 C=CCSc1ccc(nc1F)F 62a_100000210623_100000070099 [0,2,0,0,0,0|1,1,0]=4 5305 B12R1.69 C=CCSc1ccc(nc1F)N 62a_100000210623_100009882772 [0,2,0,0,0,0|1,1,0]=4 5306 B12R1.69 C=CCSc1ccc(nc1F)N 62a_100009882772_100000210623 [0,2,0,0,0,0|1,1,0]=4 5307 B12R1.69 C=CCSc1ccc(nc1F)O 62a_100000210623_100009879308 [0,2,0,0,0,0|1,1,0]=4 5308 B12R1.69 C=CCSc1ccc(nc1F)O 62a_100009879308_100000210623 [0,2,0,0,0,0|1,1,0]=4 5309 B12R1.69 C=CCSc1ccc(nc1N)C 62a_100000210623_100009816662 [0,2,0,0,0,0|1,1,0]=4 5310 B12R1.69 C=CCSc1ccc(nc1N)C 62a_100009816662_100000210623 [0,2,0,0,0,0|1,1,0]=4 5311 B12R1.69 C=CCSc1ccc(nc1N)Cl 62a_100000210623_100010171640 [0,2,0,0,0,0|1,1,0]=4 5312 B12R1.69 C=CCSc1ccc(nc1N)Cl 62a_100010171640_100000210623 [0,2,0,0,0,0|1,1,0]=4 5313 B12R1.69 C=CCSc1ccc(nc1N)F 62a_100000210623_100009854977 [0,2,0,0,0,0|1,1,0]=4 5314 B12R1.69 C=CCSc1ccc(nc1N)F 62a_100009854977_100000210623 [0,2,0,0,0,0|1,1,0]=4 5315 B12R1.69 C=CCSc1ccc(nc1N)N 62a_100011356871_100000210623 [0,2,0,0,0,0|1,1,0]=4 5316 B12R1.69 C=CCSc1ccc(nc1O)C 62a_100000210623_100009817604 [0,2,0,0,0,0|1,1,0]=4 5317 B12R1.69 C=CCSc1ccc(nc1O)C 62a_100009817604_100000210623 [0,2,0,0,0,0|1,1,0]=4 5318 B12R1.69 C=CCSc1cnc(cc1Br)F 62a_100000210623_100015451857 [0,2,0,0,0,0|1,1,0]=4 5319 B12R1.69 C=CCSc1cnc(cc1Br)F 62a_100015451857_100000210623 [0,2,0,0,0,0|1,1,0]=4 5320 B12R1.69 C=CCSc1cnc(cc1Br)N 62a_100000210623_100010074611 [0,2,0,0,0,0|1,1,0]=4 5321 B12R1.69 C=CCSc1cnc(cc1Br)N 62a_100010074611_100000210623 [0,2,0,0,0,0|1,1,0]=4 5322 B12R1.69 C=CCSc1cnc(cc1C)Br 62a_100000210623_100009816104 [0,2,0,0,0,0|1,1,0]=4 5323 B12R1.69 C=CCSc1cnc(cc1C)Br 62a_100009816104_100000210623 [0,2,0,0,0,0|1,1,0]=4 5324 B12R1.69 C=CCSc1cnc(cc1C)C 62a_100000210623_100009819613 [0,2,0,0,0,0|1,1,0]=4 5325 B12R1.69 C=CCSc1cnc(cc1C)C 62a_100009819613_100000210623 [0,2,0,0,0,0|1,1,0]=4 5326 B12R1.69 C=CCSc1cnc(cc1C)Cl 62a_100000210623_100010172789 [0,2,0,0,0,0|1,1,0]=4 5327 B12R1.69 C=CCSc1cnc(cc1C)Cl 62a_100010172789_100000210623 [0,2,0,0,0,0|1,1,0]=4 5328 B12R1.69 C=CCSc1cnc(cc1C)F 62a_100000210623_100009820716 [0,2,0,0,0,0|1,1,0]=4 5329 B12R1.69 C=CCSc1cnc(cc1C)F 62a_100009820716_100000210623 [0,2,0,0,0,0|1,1,0]=4 5330 B12R1.69 C=CCSc1cnc(cc1C)N 62a_100000050067_100000210623 [0,2,0,0,0,0|1,1,0]=4 5331 B12R1.69 C=CCSc1cnc(cc1C)N 62a_100000210623_100000050067 [0,2,0,0,0,0|1,1,0]=4 5332 B12R1.69 C=CCSc1cnc(cc1C)O 62a_100000210623_100000766222 [0,2,0,0,0,0|1,1,0]=4 5333 B12R1.69 C=CCSc1cnc(cc1C)O 62a_100000766222_100000210623 [0,2,0,0,0,0|1,1,0]=4 5334 B12R1.69 C=CCSc1cnc(cc1Cl)Br 62a_100000210623_100010381092 [0,2,0,0,0,0|1,1,0]=4 5335 B12R1.69 C=CCSc1cnc(cc1Cl)Br 62a_100010381092_100000210623 [0,2,0,0,0,0|1,1,0]=4 5336 B12R1.69 C=CCSc1cnc(cc1Cl)Cl 62a_100000210623_100010200927 [0,2,0,0,0,0|1,1,0]=4 5337 B12R1.69 C=CCSc1cnc(cc1Cl)Cl 62a_100010200927_100000210623 [0,2,0,0,0,0|1,1,0]=4 5338 B12R1.69 C=CCSc1cnc(cc1Cl)N 62a_100000210623_100000694920 [0,2,0,0,0,0|1,1,0]=4 5339 B12R1.69 C=CCSc1cnc(cc1Cl)N 62a_100000694920_100000210623 [0,2,0,0,0,0|1,1,0]=4 5340 B12R1.69 C=CCSc1cnc(cc1F)Cl 62a_100000210623_100010128100 [0,2,0,0,0,0|1,1,0]=4 5341 B12R1.69 C=CCSc1cnc(cc1F)Cl 62a_100010128100_100000210623 [0,2,0,0,0,0|1,1,0]=4 5342 B12R1.69 C=CCSc1cnc(cc1F)N 62a_100000210623_100009844730 [0,2,0,0,0,0|1,1,0]=4 5343 B12R1.69 C=CCSc1cnc(cc1F)N 62a_100009844730_100000210623 [0,2,0,0,0,0|1,1,0]=4 5344 B12R1.69 C=CCSc1cnc(cc1N)C 62a_100000210623_100009817891 [0,2,0,0,0,0|1,1,0]=4 5345 B12R1.69 C=CCSc1cnc(cc1N)C 62a_100009817891_100000210623 [0,2,0,0,0,0|1,1,0]=4 5346 B12R1.69 C=CCSc1cnc(cc1N)Cl 62a_100000210623_100010209552 [0,2,0,0,0,0|1,1,0]=4 5347 B12R1.69 C=CCSc1cnc(cc1N)Cl 62a_100010209552_100000210623 [0,2,0,0,0,0|1,1,0]=4 5348 B12R1.69 C=CCSc1cnc(cc1N)N 62a_100000210623_200009857908 [0,2,0,0,0,0|1,1,0]=4 5349 B12R1.69 C=CCSc1cnc(cc1N)N 62a_200009857908_100000210623 [0,2,0,0,0,0|1,1,0]=4 5350 B12R1.69 C=CCSc1cnc(cc1O)C 62a_100000210623_100011016184 [0,2,0,0,0,0|1,1,0]=4 5351 B12R1.69 C=CCSc1cnc(cc1O)C 62a_100011016184_100000210623 [0,2,0,0,0,0|1,1,0]=4 5352 B12R1.69 C=CCSc1ncc(cc1Br)Cl 62a_100000210623_100012154958 [0,2,0,0,0,0|1,1,0]=4 5353 B12R1.69 C=CCSc1ncc(cc1Br)Cl 62a_100012154958_100000210623 [0,2,0,0,0,0|1,1,0]=4 5354 B12R1.69 C=CCSc1ncc(cc1C)Br 62a_100000210623_100012353652 [0,2,0,0,0,0|1,1,0]=4 5355 B12R1.69 C=CCSc1ncc(cc1C)Br 62a_100012353652_100000210623 [0,2,0,0,0,0|1,1,0]=4 5356 B12R1.69 C=CCSc1ncc(cc1C)C 62a_100000210623_100009864548 [0,2,0,0,0,0|1,1,0]=4 5357 B12R1.69 C=CCSc1ncc(cc1C)C 62a_100009864548_100000210623 [0,2,0,0,0,0|1,1,0]=4 5358 B12R1.69 C=CCSc1ncc(cc1C)F 62a_100000210623_100009817009 [0,2,0,0,0,0|1,1,0]=4 5359 B12R1.69 C=CCSc1ncc(cc1C)F 62a_100009817009_100000210623 [0,2,0,0,0,0|1,1,0]=4 5360 B12R1.69 C=CCSc1ncc(cc1C)N 62a_100000210623_100000761747 [0,2,0,0,0,0|1,1,0]=4 5361 B12R1.69 C=CCSc1ncc(cc1C)N 62a_100000761747_100000210623 [0,2,0,0,0,0|1,1,0]=4 5362 B12R1.69 C=CCSc1ncc(cc1C)O 62a_100000210623_100012000486 [0,2,0,0,0,0|1,1,0]=4 5363 B12R1.69 C=CCSc1ncc(cc1C)O 62a_100012000486_100000210623 [0,2,0,0,0,0|1,1,0]=4 5364 B12R1.69 C=CCSc1ncc(cc1F)Br 62a_100000210623_100012348576 [0,2,0,0,0,0|1,1,0]=4 5365 B12R1.69 C=CCSc1ncc(cc1F)Br 62a_100012348576_100000210623 [0,2,0,0,0,0|1,1,0]=4 5366 B12R1.69 C=CCSc1ncc(cc1F)C 62a_100000210623_100009819633 [0,2,0,0,0,0|1,1,0]=4 5367 B12R1.69 C=CCSc1ncc(cc1F)C 62a_100009819633_100000210623 [0,2,0,0,0,0|1,1,0]=4 5368 B12R1.69 C=CCSc1ncc(cc1F)Cl 62a_100000210623_100012348686 [0,2,0,0,0,0|1,1,0]=4 5369 B12R1.69 C=CCSc1ncc(cc1F)Cl 62a_100012348686_100000210623 [0,2,0,0,0,0|1,1,0]=4 5370 B12R1.69 C=CCSc1ncc(cc1F)F 62a_100000210623_100011219543 [0,2,0,0,0,0|1,1,0]=4 5371 B12R1.69 C=CCSc1ncc(cc1F)F 62a_100011219543_100000210623 [0,2,0,0,0,0|1,1,0]=4 5372 B12R1.69 C=CCSc1ncc(cc1F)N 62a_100000210623_100010280766 [0,2,0,0,0,0|1,1,0]=4 5373 B12R1.69 C=CCSc1ncc(cc1F)N 62a_100010280766_100000210623 [0,2,0,0,0,0|1,1,0]=4 5374 B12R1.69 C=CCSc1ncc(cc1F)O 62a_100000210623_100000063512 [0,2,0,0,0,0|1,1,0]=4 5375 B12R1.69 C=CCSc1ncc(cc1N)Br 62a_100000210623_100010090555 [0,2,0,0,0,0|1,1,0]=4 5376 B12R1.69 C=CCSc1ncc(cc1N)Br 62a_100010090555_100000210623 [0,2,0,0,0,0|1,1,0]=4 5377 B12R1.69 C=CCSc1ncc(cc1N)C 62a_100000210623_100000733613 [0,2,0,0,0,0|1,1,0]=4 5378 B12R1.69 C=CCSc1ncc(cc1N)C 62a_100000733613_100000210623 [0,2,0,0,0,0|1,1,0]=4 5379 B12R1.69 C=CCSc1ncc(cc1N)F 62a_100000210623_100009817643 [0,2,0,0,0,0|1,1,0]=4 5380 B12R1.69 C=CCSc1ncc(cc1N)F 62a_100009817643_100000210623 [0,2,0,0,0,0|1,1,0]=4 5381 B12R1.69 C=CCSc1ncc(cc1N)N 62a_100000210623_200000093520 [0,2,0,0,0,0|1,1,0]=4 5382 B12R1.69 C=CCSc1ncc(cc1N)N 62a_200000093520_100000210623 [0,2,0,0,0,0|1,1,0]=4 5383 B12R1.69 C=CCSc1ncc(cc1O)Br 62a_100000210623_100010210634 [0,2,0,0,0,0|1,1,0]=4 5384 B12R1.69 C=CCSc1ncc(cc1O)Br 62a_100010210634_100000210623 [0,2,0,0,0,0|1,1,0]=4 5385 B12R1.69 C=CCSc1ncc(cc1O)C 62a_100000210623_100012000487 [0,2,0,0,0,0|1,1,0]=4 5386 B12R1.69 C=CCSc1ncc(cc1O)Cl 62a_100000210623_100010233512 [0,2,0,0,0,0|1,1,0]=4 5387 B12R1.69 C=CCSc1ncc(cc1O)Cl 62a_100010233512_100000210623 [0,2,0,0,0,0|1,1,0]=4 5388 B12R1.69 C=CCSc1ncc(cc1O)F 62a_100000210623_100000079967 [0,2,0,0,0,0|1,1,0]=4 5389 B12R1.69 C=CCSc1ncc(cc1O)F 62a_100009820119_100000210623 [0,2,0,0,0,0|1,1,0]=4 5390 B12R1.69 CCCOc1ccc(cc1Br)Br 34a_100000188717_100000210303 [0,2,0,0,0,0|0,0,2]=4 5391 B12R1.69 CCCOc1ccc(cc1Br)Br 7a_100000188717_100000210303 [0,2,0,0,0,0|0,0,2]=4 5392 B12R1.69 CCCOc1ccc(cc1Br)C 34a_100000210800_100000210303 [0,2,0,0,0,0|0,0,2]=4 5393 B12R1.69 CCCOc1ccc(cc1Br)C 7a_100000210800_100000210303 [0,2,0,0,0,0|0,0,2]=4 5394 B12R1.69 CCCOc1ccc(cc1Br)Cl 34a_100000211998_100000210303 [0,2,0,0,0,0|0,0,2]=4 5395 B12R1.69 CCCOc1ccc(cc1Br)Cl 7a_100000211998_100000210303 [0,2,0,0,0,0|0,0,2]=4 5396 B12R1.69 CCCOc1ccc(cc1Br)F 34a_100000211999_100000210303 [0,2,0,0,0,0|0,0,2]=4 5397 B12R1.69 CCCOc1ccc(cc1Br)F 7a_100000211999_100000210303 [0,2,0,0,0,0|0,0,2]=4 5398 B12R1.69 CCCOc1ccc(cc1Br)I 34a_100012361655_100000210303 [0,2,0,0,0,0|0,0,2]=4 5399 B12R1.69 CCCOc1ccc(cc1Br)I 7a_100012361655_100000210303 [0,2,0,0,0,0|0,0,2]=4 5400 B12R1.69 CCCOc1ccc(cc1Br)N 34a_100011534360_100000210303 [0,2,0,0,0,0|0,0,2]=4 5401 B12R1.69 CCCOc1ccc(cc1Br)N 7a_100011534360_100000210303 [0,2,0,0,0,0|0,0,2]=4 5402 B12R1.69 CCCOc1ccc(cc1C)Br 34a_100000186361_100000210303 [0,2,0,0,0,0|0,0,2]=4 5403 B12R1.69 CCCOc1ccc(cc1C)Br 7a_100000186361_100000210303 [0,2,0,0,0,0|0,0,2]=4 5404 B12R1.69 CCCOc1ccc(cc1C)C 34a_100000211776_100000210303 [0,2,0,0,0,0|0,0,2]=4 5405 B12R1.69 CCCOc1ccc(cc1C)C 7a_100000211776_100000210303 [0,2,0,0,0,0|0,0,2]=4 5406 B12R1.69 CCCOc1ccc(cc1C)Cl 34a_100000211091_100000210303 [0,2,0,0,0,0|0,0,2]=4 5407 B12R1.69 CCCOc1ccc(cc1C)Cl 7a_100000211091_100000210303 [0,2,0,0,0,0|0,0,2]=4 5408 B12R1.69 CCCOc1ccc(cc1C)F 34a_100000764316_100000210303 [0,2,0,0,0,0|0,0,2]=4 5409 B12R1.69 CCCOc1ccc(cc1C)F 7a_100000764316_100000210303 [0,2,0,0,0,0|0,0,2]=4 5410 B12R1.69 CCCOc1ccc(cc1C)I 34a_100011218673_100000210303 [0,2,0,0,0,0|0,0,2]=4 5411 B12R1.69 CCCOc1ccc(cc1C)I 7a_100011218673_100000210303 [0,2,0,0,0,0|0,0,2]=4 5412 B12R1.69 CCCOc1ccc(cc1C)N 34a_100011218179_100000210303 [0,2,0,0,0,0|0,0,2]=4 5413 B12R1.69 CCCOc1ccc(cc1C)N 7a_100011218179_100000210303 [0,2,0,0,0,0|0,0,2]=4 5414 B12R1.69 CCCOc1ccc(cc1Cl)Br 34a_100000186472_100000210303 [0,2,0,0,0,0|0,0,2]=4 5415 B12R1.69 CCCOc1ccc(cc1Cl)Br 7a_100000186472_100000210303 [0,2,0,0,0,0|0,0,2]=4 5416 B12R1.69 CCCOc1ccc(cc1Cl)C 34a_100000749699_100000210303 [0,2,0,0,0,0|0,0,2]=4 5417 B12R1.69 CCCOc1ccc(cc1Cl)C 7a_100000749699_100000210303 [0,2,0,0,0,0|0,0,2]=4 5418 B12R1.69 CCCOc1ccc(cc1Cl)Cl 34a_100015191787_100000210303 [0,2,0,0,0,0|0,0,2]=4 5419 B12R1.69 CCCOc1ccc(cc1Cl)Cl 7a_100015191787_100000210303 [0,2,0,0,0,0|0,0,2]=4 5420 B12R1.69 CCCOc1ccc(cc1Cl)F 34a_100000212004_100000210303 [0,2,0,0,0,0|0,0,2]=4 5421 B12R1.69 CCCOc1ccc(cc1Cl)F 7a_100000212004_100000210303 [0,2,0,0,0,0|0,0,2]=4 5422 B12R1.69 CCCOc1ccc(cc1Cl)I 34a_100012360047_100000210303 [0,2,0,0,0,0|0,0,2]=4 5423 B12R1.69 CCCOc1ccc(cc1Cl)I 7a_100012360047_100000210303 [0,2,0,0,0,0|0,0,2]=4 5424 B12R1.69 CCCOc1ccc(cc1Cl)N 34a_100000744943_100000210303 [0,2,0,0,0,0|0,0,2]=4 5425 B12R1.69 CCCOc1ccc(cc1Cl)N 7a_100000744943_100000210303 [0,2,0,0,0,0|0,0,2]=4 5426 B12R1.69 CCCOc1ccc(cc1F)Br 34a_100000185481_100000210303 [0,2,0,0,0,0|0,0,2]=4 5427 B12R1.69 CCCOc1ccc(cc1F)Br 7a_100000185481_100000210303 [0,2,0,0,0,0|0,0,2]=4 5428 B12R1.69 CCCOc1ccc(cc1F)C 34a_100011216688_100000210303 [0,2,0,0,0,0|0,0,2]=4 5429 B12R1.69 CCCOc1ccc(cc1F)C 7a_100011216688_100000210303 [0,2,0,0,0,0|0,0,2]=4 5430 B12R1.69 CCCOc1ccc(cc1F)Cl 34a_100000230166_100000210303 [0,2,0,0,0,0|0,0,2]=4 5431 B12R1.69 CCCOc1ccc(cc1F)Cl 7a_100000230166_100000210303 [0,2,0,0,0,0|0,0,2]=4 5432 B12R1.69 CCCOc1ccc(cc1F)F 34a_100000230127_100000210303 [0,2,0,0,0,0|0,0,2]=4 5433 B12R1.69 CCCOc1ccc(cc1F)F 7a_100000230127_100000210303 [0,2,0,0,0,0|0,0,2]=4 5434 B12R1.69 CCCOc1ccc(cc1F)I 34a_100011356965_100000210303 [0,2,0,0,0,0|0,0,2]=4 5435 B12R1.69 CCCOc1ccc(cc1F)I 7a_100011356965_100000210303 [0,2,0,0,0,0|0,0,2]=4 5436 B12R1.69 CCCOc1ccc(cc1F)N 34a_100011220035_100000210303 [0,2,0,0,0,0|0,0,2]=4 5437 B12R1.69 CCCOc1ccc(cc1F)N 7a_100011220035_100000210303 [0,2,0,0,0,0|0,0,2]=4 5438 B12R1.69 CCCOc1ccc(cc1I)Br 34a_100012355227_100000210303 [0,2,0,0,0,0|0,0,2]=4 5439 B12R1.69 CCCOc1ccc(cc1I)Br 7a_100012355227_100000210303 [0,2,0,0,0,0|0,0,2]=4 5440 B12R1.69 CCCOc1ccc(cc1I)C 34a_100000765521_100000210303 [0,2,0,0,0,0|0,0,2]=4 5441 B12R1.69 CCCOc1ccc(cc1I)C 7a_100000765521_100000210303 [0,2,0,0,0,0|0,0,2]=4 5442 B12R1.69 CCCOc1ccc(cc1I)Cl 34a_100011356953_100000210303 [0,2,0,0,0,0|0,0,2]=4 5443 B12R1.69 CCCOc1ccc(cc1I)Cl 7a_100011356953_100000210303 [0,2,0,0,0,0|0,0,2]=4 5444 B12R1.69 CCCOc1ccc(cc1I)F 34a_100012355409_100000210303 [0,2,0,0,0,0|0,0,2]=4 5445 B12R1.69 CCCOc1ccc(cc1I)F 7a_100012355409_100000210303 [0,2,0,0,0,0|0,0,2]=4 5446 B12R1.69 CCCOc1ccc(cc1I)I 7a_100010001573_100000210303 [0,2,0,0,0,0|0,0,2]=4 5447 B12R1.69 CCCOc1ccc(cc1N)Br 34a_100000752626_100000210303 [0,2,0,0,0,0|0,0,2]=4 5448 B12R1.69 CCCOc1ccc(cc1N)Br 7a_100000752626_100000210303 [0,2,0,0,0,0|0,0,2]=4 5449 B12R1.69 CCCOc1ccc(cc1N)C 34a_100011215204_100000210303 [0,2,0,0,0,0|0,0,2]=4 5450 B12R1.69 CCCOc1ccc(cc1N)C 7a_100011215204_100000210303 [0,2,0,0,0,0|0,0,2]=4 5451 B12R1.69 CCCOc1ccc(cc1N)Cl 34a_100000210500_100000210303 [0,2,0,0,0,0|0,0,2]=4 5452 B12R1.69 CCCOc1ccc(cc1N)Cl 7a_100000210500_100000210303 [0,2,0,0,0,0|0,0,2]=4 5453 B12R1.69 CCCOc1ccc(cc1N)F 34a_100000759472_100000210303 [0,2,0,0,0,0|0,0,2]=4 5454 B12R1.69 CCCOc1ccc(cc1N)F 7a_100000759472_100000210303 [0,2,0,0,0,0|0,0,2]=4 5455 B12R1.69 CCCOc1ccc(cc1N)I 34a_100000753495_100000210303 [0,2,0,0,0,0|0,0,2]=4 5456 B12R1.69 CCCOc1ccc(cc1N)I 7a_100000753495_100000210303 [0,2,0,0,0,0|0,0,2]=4 5457 B12R1.69 CCCOc1ccc(cc1N)N 34a_100000725306_100000210303 [0,2,0,0,0,0|0,0,2]=4 5458 B12R1.69 CCCOc1ccc(cc1O)F 271570a_203496583355_200000171698 [0,2,0,0,0,0|0,0,2]=4 5459 B12R1.69 COCOc1ccc(cc1F)O 271570a_203496583355_100009812708 [0,2,0,0,0,0|1,0,1]=4 5460 B12R1.69 COCOc1ccc(cc1O)C 271570a_203496583355_100012265689 [0,2,0,0,0,0|1,0,1]=4 5461 B12R1.69 CSCOc1ccc(cc1Br)Br 34a_100000188717_100011218213 [0,2,0,0,0,0|1,0,1]=4 5462 B12R1.69 CSCOc1ccc(cc1Br)C 34a_100000210800_100011218213 [0,2,0,0,0,0|1,0,1]=4 5463 B12R1.69 CSCOc1ccc(cc1Br)Cl 34a_100000211998_100011218213 [0,2,0,0,0,0|1,0,1]=4 5464 B12R1.69 CSCOc1ccc(cc1Br)F 34a_100000211999_100011218213 [0,2,0,0,0,0|1,0,1]=4 5465 B12R1.69 CSCOc1ccc(cc1Br)I 34a_100012361655_100011218213 [0,2,0,0,0,0|1,0,1]=4 5466 B12R1.69 CSCOc1ccc(cc1Br)N 34a_100011534360_100011218213 [0,2,0,0,0,0|1,0,1]=4 5467 B12R1.69 CSCOc1ccc(cc1C)Br 34a_100000186361_100011218213 [0,2,0,0,0,0|1,0,1]=4 5468 B12R1.69 CSCOc1ccc(cc1C)C 34a_100000211776_100011218213 [0,2,0,0,0,0|1,0,1]=4 5469 B12R1.69 CSCOc1ccc(cc1C)Cl 34a_100000211091_100011218213 [0,2,0,0,0,0|1,0,1]=4 5470 B12R1.69 CSCOc1ccc(cc1C)F 34a_100000764316_100011218213 [0,2,0,0,0,0|1,0,1]=4 5471 B12R1.69 CSCOc1ccc(cc1C)I 34a_100011218673_100011218213 [0,2,0,0,0,0|1,0,1]=4 5472 B12R1.69 CSCOc1ccc(cc1C)N 34a_100011218179_100011218213 [0,2,0,0,0,0|1,0,1]=4 5473 B12R1.69 CSCOc1ccc(cc1Cl)Br 34a_100000186472_100011218213 [0,2,0,0,0,0|1,0,1]=4 5474 B12R1.69 CSCOc1ccc(cc1Cl)C 34a_100000749699_100011218213 [0,2,0,0,0,0|1,0,1]=4 5475 B12R1.69 CSCOc1ccc(cc1Cl)Cl 34a_100015191787_100011218213 [0,2,0,0,0,0|1,0,1]=4 5476 B12R1.69 CSCOc1ccc(cc1Cl)F 34a_100000212004_100011218213 [0,2,0,0,0,0|1,0,1]=4 5477 B12R1.69 CSCOc1ccc(cc1Cl)I 34a_100012360047_100011218213 [0,2,0,0,0,0|1,0,1]=4 5478 B12R1.69 CSCOc1ccc(cc1Cl)N 34a_100000744943_100011218213 [0,2,0,0,0,0|1,0,1]=4 5479 B12R1.69 CSCOc1ccc(cc1F)Br 34a_100000185481_100011218213 [0,2,0,0,0,0|1,0,1]=4 5480 B12R1.69 CSCOc1ccc(cc1F)C 34a_100011216688_100011218213 [0,2,0,0,0,0|1,0,1]=4 5481 B12R1.69 CSCOc1ccc(cc1F)Cl 34a_100000230166_100011218213 [0,2,0,0,0,0|1,0,1]=4 5482 B12R1.69 CSCOc1ccc(cc1F)F 34a_100000230127_100011218213 [0,2,0,0,0,0|1,0,1]=4 5483 B12R1.69 CSCOc1ccc(cc1F)I 34a_100011356965_100011218213 [0,2,0,0,0,0|1,0,1]=4 5484 B12R1.69 CSCOc1ccc(cc1F)N 34a_100011220035_100011218213 [0,2,0,0,0,0|1,0,1]=4 5485 B12R1.69 CSCOc1ccc(cc1I)Br 34a_100012355227_100011218213 [0,2,0,0,0,0|1,0,1]=4 5486 B12R1.69 CSCOc1ccc(cc1I)C 34a_100000765521_100011218213 [0,2,0,0,0,0|1,0,1]=4 5487 B12R1.69 CSCOc1ccc(cc1I)Cl 34a_100011356953_100011218213 [0,2,0,0,0,0|1,0,1]=4 5488 B12R1.69 CSCOc1ccc(cc1I)F 34a_100012355409_100011218213 [0,2,0,0,0,0|1,0,1]=4 5489 B12R1.69 CSCOc1ccc(cc1N)Br 34a_100000752626_100011218213 [0,2,0,0,0,0|1,0,1]=4 5490 B12R1.69 CSCOc1ccc(cc1N)C 34a_100011215204_100011218213 [0,2,0,0,0,0|1,0,1]=4 5491 B12R1.69 CSCOc1ccc(cc1N)Cl 34a_100000210500_100011218213 [0,2,0,0,0,0|1,0,1]=4 5492 B12R1.69 CSCOc1ccc(cc1N)F 34a_100000759472_100011218213 [0,2,0,0,0,0|1,0,1]=4 5493 B12R1.69 CSCOc1ccc(cc1N)I 34a_100000753495_100011218213 [0,2,0,0,0,0|1,0,1]=4 5494 B12R1.69 CSCOc1ccc(cc1N)N 34a_100000725306_100011218213 [0,2,0,0,0,0|1,0,1]=4 5495 B12R1.69 Cc1cc(=O)c(co1)OCC=O 34a_100000081520_200009817547 [0,2,0,0,0,0|2,0,0]=4 5496 B12R1.69 Cc1cc(c(cn1)OCC=O)Br 34a_100009843476_200009817547 [0,2,0,0,0,0|2,0,0]=4 5497 B12R1.69 Cc1cc(c(cn1)OCC=O)Br 7a_100009843476_200015260668 [0,2,0,0,0,0|2,0,0]=4 5498 B12R1.69 Cc1cc(c(cn1)OCC=O)C 34a_200000068632_200009817547 [0,2,0,0,0,0|2,0,0]=4 5499 B12R1.69 Cc1cc(c(cn1)OCC=O)C 7a_200000068632_200015260668 [0,2,0,0,0,0|2,0,0]=4 5500 B12R1.69 Cc1cc(ccc1NCC=O)Br 34a_100000211769_200009817547 [0,2,0,0,0,0|2,0,0]=4 5501 B12R1.69 Cc1cc(ccc1NCC=O)Br 7a_100000211769_200015260668 [0,2,0,0,0,0|2,0,0]=4 5502 B12R1.69 Cc1cc(ccc1NCC=O)Cl 34a_100000210418_200009817547 [0,2,0,0,0,0|2,0,0]=4 5503 B12R1.69 Cc1cc(ccc1NCC=O)Cl 7a_100000210418_200015260668 [0,2,0,0,0,0|2,0,0]=4 5504 B12R1.69 Cc1cc(ccc1NCC=O)F 34a_100000211637_200009817547 [0,2,0,0,0,0|2,0,0]=4 5505 B12R1.69 Cc1cc(ccc1NCC=O)F 7a_100000211637_200015260668 [0,2,0,0,0,0|2,0,0]=4 5506 B12R1.69 Cc1cc(ccc1NCC=O)I 34a_100000184554_200009817547 [0,2,0,0,0,0|2,0,0]=4 5507 B12R1.69 Cc1cc(ccc1NCC=O)I 7a_100000184554_200015260668 [0,2,0,0,0,0|2,0,0]=4 5508 B12R1.69 Cc1cc(ccc1NCC=O)O 34a_100000756630_200009817547 [0,2,0,0,0,0|2,0,0]=4 5509 B12R1.69 Cc1cc(ccc1OCC#N)Br 7a_100000186361_100011215382 [0,2,0,0,0,0|1,0,1]=4 5510 B12R1.69 Cc1cc(ccc1OCC#N)Cl 7a_100000211091_100011215382 [0,2,0,0,0,0|1,0,1]=4 5511 B12R1.69 Cc1cc(ccc1OCC#N)F 7a_100000764316_100011215382 [0,2,0,0,0,0|1,0,1]=4 5512 B12R1.69 Cc1cc(ccc1OCC#N)I 7a_100011218673_100011215382 [0,2,0,0,0,0|1,0,1]=4 5513 B12R1.69 Cc1cc(ccc1OCC#N)N 7a_100011218179_100011215382 [0,2,0,0,0,0|1,0,1]=4 5514 B12R1.69 Cc1cc(ccc1OCC=O)Br 34a_100000186361_200009817547 [0,2,0,0,0,0|1,0,0]=3 5515 B12R1.69 Cc1cc(ccc1OCC=O)Br 7a_100000186361_200015260668 [0,2,0,0,0,0|1,0,0]=3 5516 B12R1.69 Cc1cc(ccc1OCC=O)Cl 34a_100000211091_200009817547 [0,2,0,0,0,0|1,0,0]=3 5517 B12R1.69 Cc1cc(ccc1OCC=O)Cl 7a_100000211091_200015260668 [0,2,0,0,0,0|1,0,0]=3 5518 B12R1.69 Cc1cc(ccc1OCC=O)F 34a_100000764316_200009817547 [0,2,0,0,0,0|1,0,0]=3 5519 B12R1.69 Cc1cc(ccc1OCC=O)F 7a_100000764316_200015260668 [0,2,0,0,0,0|1,0,0]=3 5520 B12R1.69 Cc1cc(ccc1OCC=O)I 34a_100011218673_200009817547 [0,2,0,0,0,0|1,0,0]=3 5521 B12R1.69 Cc1cc(ccc1OCC=O)I 7a_100011218673_200015260668 [0,2,0,0,0,0|1,0,0]=3 5522 B12R1.69 Cc1cc(ccc1OCC=O)N 34a_100011218179_200009817547 [0,2,0,0,0,0|1,0,0]=3 5523 B12R1.69 Cc1cc(ccc1OCC=O)N 7a_100011218179_200015260668 [0,2,0,0,0,0|1,0,0]=3 5524 B12R1.69 Cc1cc(ccc1OCCF)Br 34a_100000186361_100011217306 [0,2,0,0,0,0|1,0,1]=4 5525 B12R1.69 Cc1cc(ccc1OCCF)Br 7a_100000186361_100011217306 [0,2,0,0,0,0|1,0,1]=4 5526 B12R1.69 Cc1cc(ccc1OCCF)Cl 34a_100000211091_100011217306 [0,2,0,0,0,0|1,0,1]=4 5527 B12R1.69 Cc1cc(ccc1OCCF)Cl 7a_100000211091_100011217306 [0,2,0,0,0,0|1,0,1]=4 5528 B12R1.69 Cc1cc(ccc1OCCF)F 34a_100000764316_100011217306 [0,2,0,0,0,0|1,0,1]=4 5529 B12R1.69 Cc1cc(ccc1OCCF)F 7a_100000764316_100011217306 [0,2,0,0,0,0|1,0,1]=4 5530 B12R1.69 Cc1cc(ccc1OCCF)I 34a_100011218673_100011217306 [0,2,0,0,0,0|1,0,1]=4 5531 B12R1.69 Cc1cc(ccc1OCCF)I 7a_100011218673_100011217306 [0,2,0,0,0,0|1,0,1]=4 5532 B12R1.69 Cc1cc(ccc1OCCF)N 34a_100011218179_100011217306 [0,2,0,0,0,0|1,0,1]=4 5533 B12R1.69 Cc1cc(ccc1OCCF)N 7a_100011218179_100011217306 [0,2,0,0,0,0|1,0,1]=4 5534 B12R1.69 Cc1cc(ccc1OCCO)Br 34a_100000186361_100000211926 [0,2,0,0,0,0|1,0,1]=4 5535 B12R1.69 Cc1cc(ccc1OCCO)Br 7a_100000186361_100000211926 [0,2,0,0,0,0|1,0,1]=4 5536 B12R1.69 Cc1cc(ccc1OCCO)Cl 34a_100000211091_100000211926 [0,2,0,0,0,0|1,0,1]=4 5537 B12R1.69 Cc1cc(ccc1OCCO)Cl 7a_100000211091_100000211926 [0,2,0,0,0,0|1,0,1]=4 5538 B12R1.69 Cc1cc(ccc1OCCO)F 34a_100000764316_100000211926 [0,2,0,0,0,0|1,0,1]=4 5539 B12R1.69 Cc1cc(ccc1OCCO)F 7a_100000764316_100000211926 [0,2,0,0,0,0|1,0,1]=4 5540 B12R1.69 Cc1cc(ccc1OCCO)I 34a_100011218673_100000211926 [0,2,0,0,0,0|1,0,1]=4 5541 B12R1.69 Cc1cc(ccc1OCCO)I 7a_100011218673_100000211926 [0,2,0,0,0,0|1,0,1]=4 5542 B12R1.69 Cc1cc(ccc1OCCO)N 34a_100011218179_100000211926 [0,2,0,0,0,0|1,0,1]=4 5543 B12R1.69 Cc1cc(ccc1OCCO)N 7a_100011218179_100000211926 [0,2,0,0,0,0|1,0,1]=4 5544 B12R1.69 Cc1cc(ccc1SCC=O)Br 62a_100000701812_200015260668 [0,2,0,0,0,0|1,1,0]=4 5545 B12R1.69 Cc1cc(ccc1SCC=O)Br 62a_200015260668_100000701812 [0,2,0,0,0,0|1,1,0]=4 5546 B12R1.69 Cc1cc(ccc1SCC=O)Cl 62a_100011219607_200015260668 [0,2,0,0,0,0|1,1,0]=4 5547 B12R1.69 Cc1cc(ccc1SCC=O)Cl 62a_200015260668_100011219607 [0,2,0,0,0,0|1,1,0]=4 5548 B12R1.69 Cc1cc(ccc1SCC=O)F 62a_100011205405_200015260668 [0,2,0,0,0,0|1,1,0]=4 5549 B12R1.69 Cc1cc(ccc1SCC=O)F 62a_200015260668_100011205405 [0,2,0,0,0,0|1,1,0]=4 5550 B12R1.69 Cc1cc(ccc1SCC=O)N 62a_100000210723_200015260668 [0,2,0,0,0,0|1,1,0]=4 5551 B12R1.69 Cc1cc(ccc1SCC=O)N 62a_200015260668_100000210723 [0,2,0,0,0,0|1,1,0]=4 5552 B12R1.69 Cc1cc(ccc1SCC=O)O 62a_200015260668_100000690111 [0,2,0,0,0,0|1,1,0]=4 5553 B12R1.69 Cc1cc(cnc1OCC=O)Br 34a_100000685391_200009817547 [0,2,0,0,0,0|2,0,0]=4 5554 B12R1.69 Cc1cc(ncc1OCC=O)Cl 34a_100000692680_200009817547 [0,2,0,0,0,0|2,0,0]=4 5555 B12R1.69 Cc1cc(ncc1OCC=O)Cl 7a_100000692680_200015260668 [0,2,0,0,0,0|2,0,0]=4 5556 B12R1.69 Cc1cc(ncc1OCC=O)F 34a_100009856773_200009817547 [0,2,0,0,0,0|2,0,0]=4 5557 B12R1.69 Cc1cc(ncc1OCC=O)F 7a_100009856773_200015260668 [0,2,0,0,0,0|2,0,0]=4 5558 B12R1.69 Cc1ccc(c(c1)Br)NCC=O 34a_100000210942_200009817547 [0,2,0,0,0,0|2,0,0]=4 5559 B12R1.69 Cc1ccc(c(c1)Br)OCC#N 7a_100000210800_100011215382 [0,2,0,0,0,0|1,0,1]=4 5560 B12R1.69 Cc1ccc(c(c1)Br)OCC=O 34a_100000210800_200009817547 [0,2,0,0,0,0|1,0,0]=3 5561 B12R1.69 Cc1ccc(c(c1)Br)OCC=O 7a_100000210800_200015260668 [0,2,0,0,0,0|1,0,0]=3 5562 B12R1.69 Cc1ccc(c(c1)Br)OCCF 34a_100000210800_100011217306 [0,2,0,0,0,0|1,0,1]=4 5563 B12R1.69 Cc1ccc(c(c1)Br)OCCF 7a_100000210800_100011217306 [0,2,0,0,0,0|1,0,1]=4 5564 B12R1.69 Cc1ccc(c(c1)Br)OCCO 34a_100000210800_100000211926 [0,2,0,0,0,0|1,0,1]=4 5565 B12R1.69 Cc1ccc(c(c1)Br)OCCO 7a_100000210800_100000211926 [0,2,0,0,0,0|1,0,1]=4 5566 B12R1.69 Cc1ccc(c(c1)Br)SCC=O 62a_100009813563_200015260668 [0,2,0,0,0,0|1,1,0]=4 5567 B12R1.69 Cc1ccc(c(c1)Br)SCC=O 62a_200015260668_100009813563 [0,2,0,0,0,0|1,1,0]=4 5568 B12R1.69 Cc1ccc(c(c1)C)NCC=O 34a_100000736561_200009817547 [0,2,0,0,0,0|2,0,0]=4 5569 B12R1.69 Cc1ccc(c(c1)C)NCC=O 7a_100000736561_200015260668 [0,2,0,0,0,0|2,0,0]=4 5570 B12R1.69 Cc1ccc(c(c1)C)OCC#N 7a_100000211776_100011215382 [0,2,0,0,0,0|1,0,1]=4 5571 B12R1.69 Cc1ccc(c(c1)C)OCC=O 34a_100000211776_200009817547 [0,2,0,0,0,0|1,0,0]=3 5572 B12R1.69 Cc1ccc(c(c1)C)OCC=O 7a_100000211776_200015260668 [0,2,0,0,0,0|1,0,0]=3 5573 B12R1.69 Cc1ccc(c(c1)C)OCCF 34a_100000211776_100011217306 [0,2,0,0,0,0|1,0,1]=4 5574 B12R1.69 Cc1ccc(c(c1)C)OCCF 7a_100000211776_100011217306 [0,2,0,0,0,0|1,0,1]=4 5575 B12R1.69 Cc1ccc(c(c1)C)OCCO 34a_100000211776_100000211926 [0,2,0,0,0,0|1,0,1]=4 5576 B12R1.69 Cc1ccc(c(c1)C)OCCO 7a_100000211776_100000211926 [0,2,0,0,0,0|1,0,1]=4 5577 B12R1.69 Cc1ccc(c(c1)C)SCC=O 62a_100011217332_200015260668 [0,2,0,0,0,0|1,1,0]=4 5578 B12R1.69 Cc1ccc(c(c1)C)SCC=O 62a_200015260668_100011217332 [0,2,0,0,0,0|1,1,0]=4 5579 B12R1.69 Cc1ccc(c(c1)Cl)NCC=O 34a_100000210522_200009817547 [0,2,0,0,0,0|2,0,0]=4 5580 B12R1.69 Cc1ccc(c(c1)Cl)OCC#N 7a_100000749699_100011215382 [0,2,0,0,0,0|1,0,1]=4 5581 B12R1.69 Cc1ccc(c(c1)Cl)OCC=O 34a_100000749699_200009817547 [0,2,0,0,0,0|1,0,0]=3 5582 B12R1.69 Cc1ccc(c(c1)Cl)OCC=O 7a_100000749699_200015260668 [0,2,0,0,0,0|1,0,0]=3 5583 B12R1.69 Cc1ccc(c(c1)Cl)OCCF 34a_100000749699_100011217306 [0,2,0,0,0,0|1,0,1]=4 5584 B12R1.69 Cc1ccc(c(c1)Cl)OCCF 7a_100000749699_100011217306 [0,2,0,0,0,0|1,0,1]=4 5585 B12R1.69 Cc1ccc(c(c1)Cl)OCCO 34a_100000749699_100000211926 [0,2,0,0,0,0|1,0,1]=4 5586 B12R1.69 Cc1ccc(c(c1)Cl)OCCO 7a_100000749699_100000211926 [0,2,0,0,0,0|1,0,1]=4 5587 B12R1.69 Cc1ccc(c(c1)Cl)SCC=O 62a_100011263221_200015260668 [0,2,0,0,0,0|1,1,0]=4 5588 B12R1.69 Cc1ccc(c(c1)Cl)SCC=O 62a_200015260668_100011263221 [0,2,0,0,0,0|1,1,0]=4 5589 B12R1.69 Cc1ccc(c(c1)F)NCC=O 34a_100000211023_200009817547 [0,2,0,0,0,0|2,0,0]=4 5590 B12R1.69 Cc1ccc(c(c1)F)OCC#N 7a_100011216688_100011215382 [0,2,0,0,0,0|1,0,1]=4 5591 B12R1.69 Cc1ccc(c(c1)F)OCC=O 34a_100011216688_200009817547 [0,2,0,0,0,0|1,0,0]=3 5592 B12R1.69 Cc1ccc(c(c1)F)OCC=O 7a_100011216688_200015260668 [0,2,0,0,0,0|1,0,0]=3 5593 B12R1.69 Cc1ccc(c(c1)F)OCCF 34a_100011216688_100011217306 [0,2,0,0,0,0|1,0,1]=4 5594 B12R1.69 Cc1ccc(c(c1)F)OCCF 7a_100011216688_100011217306 [0,2,0,0,0,0|1,0,1]=4 5595 B12R1.69 Cc1ccc(c(c1)F)OCCO 34a_100011216688_100000211926 [0,2,0,0,0,0|1,0,1]=4 5596 B12R1.69 Cc1ccc(c(c1)F)OCCO 7a_100011216688_100000211926 [0,2,0,0,0,0|1,0,1]=4 5597 B12R1.69 Cc1ccc(c(c1)F)SCC=O 62a_100011216119_200015260668 [0,2,0,0,0,0|1,1,0]=4 5598 B12R1.69 Cc1ccc(c(c1)F)SCC=O 62a_200015260668_100011216119 [0,2,0,0,0,0|1,1,0]=4 5599 B12R1.69 Cc1ccc(c(c1)I)NCC=O 34a_100011356834_200009817547 [0,2,0,0,0,0|2,0,0]=4 5600 B12R1.69 Cc1ccc(c(c1)I)OCC#N 7a_100000765521_100011215382 [0,2,0,0,0,0|1,0,1]=4 5601 B12R1.69 Cc1ccc(c(c1)I)OCC=O 34a_100000765521_200009817547 [0,2,0,0,0,0|1,0,0]=3 5602 B12R1.69 Cc1ccc(c(c1)I)OCC=O 7a_100000765521_200015260668 [0,2,0,0,0,0|1,0,0]=3 5603 B12R1.69 Cc1ccc(c(c1)I)OCCF 34a_100000765521_100011217306 [0,2,0,0,0,0|1,0,1]=4 5604 B12R1.69 Cc1ccc(c(c1)I)OCCF 7a_100000765521_100011217306 [0,2,0,0,0,0|1,0,1]=4 5605 B12R1.69 Cc1ccc(c(c1)I)OCCO 34a_100000765521_100000211926 [0,2,0,0,0,0|1,0,1]=4 5606 B12R1.69 Cc1ccc(c(c1)I)OCCO 7a_100000765521_100000211926 [0,2,0,0,0,0|1,0,1]=4 5607 B12R1.69 Cc1ccc(c(c1)N)OCC#N 7a_100011215204_100011215382 [0,2,0,0,0,0|1,0,1]=4 5608 B12R1.69 Cc1ccc(c(c1)N)OCC=O 34a_100011215204_200009817547 [0,2,0,0,0,0|1,0,0]=3 5609 B12R1.69 Cc1ccc(c(c1)N)OCC=O 7a_100011215204_200015260668 [0,2,0,0,0,0|1,0,0]=3 5610 B12R1.69 Cc1ccc(c(c1)N)OCCF 34a_100011215204_100011217306 [0,2,0,0,0,0|1,0,1]=4 5611 B12R1.69 Cc1ccc(c(c1)N)OCCF 7a_100011215204_100011217306 [0,2,0,0,0,0|1,0,1]=4 5612 B12R1.69 Cc1ccc(c(c1)N)OCCO 34a_100011215204_100000211926 [0,2,0,0,0,0|1,0,1]=4 5613 B12R1.69 Cc1ccc(c(c1)N)OCCO 7a_100011215204_100000211926 [0,2,0,0,0,0|1,0,1]=4 5614 B12R1.69 Cc1ccc(c(c1)N)SCC=O 62a_100011216686_200015260668 [0,2,0,0,0,0|1,1,0]=4 5615 B12R1.69 Cc1ccc(c(c1)N)SCC=O 62a_200015260668_100011216686 [0,2,0,0,0,0|1,1,0]=4 5616 B12R1.69 Cc1ccc(c(c1)O)NCC=O 34a_100000211527_200009817547 [0,2,0,0,0,0|2,0,0]=4 5617 B12R1.69 Cc1ccc(c(c1)O)OCCN 271570a_203496583355_100025744979 [0,2,0,0,0,0|1,0,1]=4 5618 B12R1.69 Cc1ccc(c(c1)O)SCC=O 62a_100012002257_200015260668 [0,2,0,0,0,0|1,1,0]=4 5619 B12R1.69 Cc1ccc(c(c1)O)SCC=O 62a_200015260668_100012002257 [0,2,0,0,0,0|1,1,0]=4 5620 B12R1.69 Cc1ccc(c(n1)Br)OCC=O 34a_100000702858_200009817547 [0,2,0,0,0,0|2,0,0]=4 5621 B12R1.69 Cc1ccc(c(n1)Br)OCC=O 7a_100000702858_200015260668 [0,2,0,0,0,0|2,0,0]=4 5622 B12R1.69 Cc1ccc(c(n1)C)OCC=O 34a_100011218912_200009817547 [0,2,0,0,0,0|2,0,0]=4 5623 B12R1.69 Cc1ccc(c(n1)C)OCC=O 7a_100011218912_200015260668 [0,2,0,0,0,0|2,0,0]=4 5624 B12R1.69 Cc1ccc(c(n1)Cl)OCC=O 34a_100000086286_200009817547 [0,2,0,0,0,0|2,0,0]=4 5625 B12R1.69 Cc1ccc(c(n1)Cl)OCC=O 7a_100000086286_200015260668 [0,2,0,0,0,0|2,0,0]=4 5626 B12R1.69 Cc1ccc(c(n1)F)OCC=O 34a_100000079963_200009817547 [0,2,0,0,0,0|2,0,0]=4 5627 B12R1.69 Cc1ccc(c(n1)F)OCC=O 7a_100000079963_200015260668 [0,2,0,0,0,0|2,0,0]=4 5628 B12R1.69 Cc1ccc(c(n1)I)OCC=O 34a_100000023897_200009817547 [0,2,0,0,0,0|2,0,0]=4 5629 B12R1.69 Cc1ccc(c(n1)I)OCC=O 7a_100000023897_200015260668 [0,2,0,0,0,0|2,0,0]=4 5630 B12R1.69 Cc1ccc(c(n1)N)OCC=O 34a_100000694039_200009817547 [0,2,0,0,0,0|2,0,0]=4 5631 B12R1.69 Cc1ccc(c(n1)N)OCC=O 7a_100000694039_200015260668 [0,2,0,0,0,0|2,0,0]=4 5632 B12R1.69 Cc1cnc(c(c1)Br)OCC=O 34a_100000719714_200009817547 [0,2,0,0,0,0|2,0,0]=4 5633 B12R1.69 Cc1cnc(c(c1)N)OCC=O 34a_100012000488_200009817547 [0,2,0,0,0,0|2,0,0]=4 5634 B12R1.69 Cc1nc(ccc1OCC=O)Br 34a_100012002022_200009817547 [0,2,0,0,0,0|2,0,0]=4 5635 B12R1.69 Cc1nc(ccc1OCC=O)Br 7a_100012002022_200015260668 [0,2,0,0,0,0|2,0,0]=4 5636 B12R1.69 Cc1nc(ccc1OCC=O)Cl 34a_100012184626_200009817547 [0,2,0,0,0,0|2,0,0]=4 5637 B12R1.69 Cc1nc(ccc1OCC=O)Cl 7a_100012184626_200015260668 [0,2,0,0,0,0|2,0,0]=4 5638 B12R1.69 Cc1nc(ccc1OCC=O)F 34a_100009881036_200009817547 [0,2,0,0,0,0|2,0,0]=4 5639 B12R1.69 Cc1nc(ccc1OCC=O)F 7a_100009881036_200015260668 [0,2,0,0,0,0|2,0,0]=4 5640 B12R1.69 Cc1nc(ccc1OCC=O)I 34a_100010233687_200009817547 [0,2,0,0,0,0|2,0,0]=4 5641 B12R1.69 Cc1nc(ccc1OCC=O)I 7a_100010233687_200015260668 [0,2,0,0,0,0|2,0,0]=4 5642 B12R1.69 FCCOc1ccc(cc1Br)Br 34a_100000188717_100011217306 [0,2,0,0,0,0|1,0,1]=4 5643 B12R1.69 FCCOc1ccc(cc1Br)Br 7a_100000188717_100011217306 [0,2,0,0,0,0|1,0,1]=4 5644 B12R1.69 FCCOc1ccc(cc1Br)Cl 34a_100000211998_100011217306 [0,2,0,0,0,0|1,0,1]=4 5645 B12R1.69 FCCOc1ccc(cc1Br)Cl 7a_100000211998_100011217306 [0,2,0,0,0,0|1,0,1]=4 5646 B12R1.69 FCCOc1ccc(cc1Br)F 34a_100000211999_100011217306 [0,2,0,0,0,0|1,0,1]=4 5647 B12R1.69 FCCOc1ccc(cc1Br)F 7a_100000211999_100011217306 [0,2,0,0,0,0|1,0,1]=4 5648 B12R1.69 FCCOc1ccc(cc1Br)I 34a_100012361655_100011217306 [0,2,0,0,0,0|1,0,1]=4 5649 B12R1.69 FCCOc1ccc(cc1Br)I 7a_100012361655_100011217306 [0,2,0,0,0,0|1,0,1]=4 5650 B12R1.69 FCCOc1ccc(cc1Cl)Br 34a_100000186472_100011217306 [0,2,0,0,0,0|1,0,1]=4 5651 B12R1.69 FCCOc1ccc(cc1Cl)Br 7a_100000186472_100011217306 [0,2,0,0,0,0|1,0,1]=4 5652 B12R1.69 FCCOc1ccc(cc1Cl)Cl 34a_100015191787_100011217306 [0,2,0,0,0,0|1,0,1]=4 5653 B12R1.69 FCCOc1ccc(cc1Cl)Cl 7a_100015191787_100011217306 [0,2,0,0,0,0|1,0,1]=4 5654 B12R1.69 FCCOc1ccc(cc1Cl)F 34a_100000212004_100011217306 [0,2,0,0,0,0|1,0,1]=4 5655 B12R1.69 FCCOc1ccc(cc1Cl)F 7a_100000212004_100011217306 [0,2,0,0,0,0|1,0,1]=4 5656 B12R1.69 FCCOc1ccc(cc1Cl)I 34a_100012360047_100011217306 [0,2,0,0,0,0|1,0,1]=4 5657 B12R1.69 FCCOc1ccc(cc1Cl)I 7a_100012360047_100011217306 [0,2,0,0,0,0|1,0,1]=4 5658 B12R1.69 FCCOc1ccc(cc1F)Br 34a_100000185481_100011217306 [0,2,0,0,0,0|1,0,1]=4 5659 B12R1.69 FCCOc1ccc(cc1F)Br 7a_100000185481_100011217306 [0,2,0,0,0,0|1,0,1]=4 5660 B12R1.69 FCCOc1ccc(cc1F)Cl 34a_100000230166_100011217306 [0,2,0,0,0,0|1,0,1]=4 5661 B12R1.69 FCCOc1ccc(cc1F)Cl 7a_100000230166_100011217306 [0,2,0,0,0,0|1,0,1]=4 5662 B12R1.69 FCCOc1ccc(cc1F)F 34a_100000230127_100011217306 [0,2,0,0,0,0|1,0,1]=4 5663 B12R1.69 FCCOc1ccc(cc1F)F 7a_100000230127_100011217306 [0,2,0,0,0,0|1,0,1]=4 5664 B12R1.69 FCCOc1ccc(cc1F)I 34a_100011356965_100011217306 [0,2,0,0,0,0|1,0,1]=4 5665 B12R1.69 FCCOc1ccc(cc1F)I 7a_100011356965_100011217306 [0,2,0,0,0,0|1,0,1]=4 5666 B12R1.69 FCCOc1ccc(cc1I)Br 34a_100012355227_100011217306 [0,2,0,0,0,0|1,0,1]=4 5667 B12R1.69 FCCOc1ccc(cc1I)Br 7a_100012355227_100011217306 [0,2,0,0,0,0|1,0,1]=4 5668 B12R1.69 FCCOc1ccc(cc1I)Cl 34a_100011356953_100011217306 [0,2,0,0,0,0|1,0,1]=4 5669 B12R1.69 FCCOc1ccc(cc1I)Cl 7a_100011356953_100011217306 [0,2,0,0,0,0|1,0,1]=4 5670 B12R1.69 FCCOc1ccc(cc1I)F 34a_100012355409_100011217306 [0,2,0,0,0,0|1,0,1]=4 5671 B12R1.69 FCCOc1ccc(cc1I)F 7a_100012355409_100011217306 [0,2,0,0,0,0|1,0,1]=4 5672 B12R1.69 FCCOc1ccc(cc1I)I 7a_100010001573_100011217306 [0,2,0,0,0,0|1,0,1]=4 5673 B12R1.69 N#CCOc1ccc(cc1Br)Br 7a_100000188717_100011215382 [0,2,0,0,0,0|1,0,1]=4 5674 B12R1.69 N#CCOc1ccc(cc1Br)Cl 7a_100000211998_100011215382 [0,2,0,0,0,0|1,0,1]=4 5675 B12R1.69 N#CCOc1ccc(cc1Br)F 7a_100000211999_100011215382 [0,2,0,0,0,0|1,0,1]=4 5676 B12R1.69 N#CCOc1ccc(cc1Br)I 7a_100012361655_100011215382 [0,2,0,0,0,0|1,0,1]=4 5677 B12R1.69 N#CCOc1ccc(cc1Br)N 7a_100011534360_100011215382 [0,2,0,0,0,0|1,0,1]=4 5678 B12R1.69 N#CCOc1ccc(cc1Cl)Br 7a_100000186472_100011215382 [0,2,0,0,0,0|1,0,1]=4 5679 B12R1.69 N#CCOc1ccc(cc1Cl)Cl 7a_100015191787_100011215382 [0,2,0,0,0,0|1,0,1]=4 5680 B12R1.69 N#CCOc1ccc(cc1Cl)F 7a_100000212004_100011215382 [0,2,0,0,0,0|1,0,1]=4 5681 B12R1.69 N#CCOc1ccc(cc1Cl)I 7a_100012360047_100011215382 [0,2,0,0,0,0|1,0,1]=4 5682 B12R1.69 N#CCOc1ccc(cc1Cl)N 7a_100000744943_100011215382 [0,2,0,0,0,0|1,0,1]=4 5683 B12R1.69 N#CCOc1ccc(cc1F)Br 7a_100000185481_100011215382 [0,2,0,0,0,0|1,0,1]=4 5684 B12R1.69 N#CCOc1ccc(cc1F)Cl 7a_100000230166_100011215382 [0,2,0,0,0,0|1,0,1]=4 5685 B12R1.69 N#CCOc1ccc(cc1F)F 7a_100000230127_100011215382 [0,2,0,0,0,0|1,0,1]=4 5686 B12R1.69 N#CCOc1ccc(cc1F)I 7a_100011356965_100011215382 [0,2,0,0,0,0|1,0,1]=4 5687 B12R1.69 N#CCOc1ccc(cc1F)N 7a_100011220035_100011215382 [0,2,0,0,0,0|1,0,1]=4 5688 B12R1.69 N#CCOc1ccc(cc1I)Br 7a_100012355227_100011215382 [0,2,0,0,0,0|1,0,1]=4 5689 B12R1.69 N#CCOc1ccc(cc1I)Cl 7a_100011356953_100011215382 [0,2,0,0,0,0|1,0,1]=4 5690 B12R1.69 N#CCOc1ccc(cc1I)F 7a_100012355409_100011215382 [0,2,0,0,0,0|1,0,1]=4 5691 B12R1.69 N#CCOc1ccc(cc1I)I 7a_100010001573_100011215382 [0,2,0,0,0,0|1,0,1]=4 5692 B12R1.69 N#CCOc1ccc(cc1N)Br 7a_100000752626_100011215382 [0,2,0,0,0,0|1,0,1]=4 5693 B12R1.69 N#CCOc1ccc(cc1N)Cl 7a_100000210500_100011215382 [0,2,0,0,0,0|1,0,1]=4 5694 B12R1.69 N#CCOc1ccc(cc1N)F 7a_100000759472_100011215382 [0,2,0,0,0,0|1,0,1]=4 5695 B12R1.69 N#CCOc1ccc(cc1N)I 7a_100000753495_100011215382 [0,2,0,0,0,0|1,0,1]=4 5696 B12R1.69 Nc1cc(ccc1OCC=O)Br 34a_100000752626_200009817547 [0,2,0,0,0,0|1,0,0]=3 5697 B12R1.69 Nc1cc(ccc1OCC=O)Br 7a_100000752626_200015260668 [0,2,0,0,0,0|1,0,0]=3 5698 B12R1.69 Nc1cc(ccc1OCC=O)Cl 34a_100000210500_200009817547 [0,2,0,0,0,0|1,0,0]=3 5699 B12R1.69 Nc1cc(ccc1OCC=O)Cl 7a_100000210500_200015260668 [0,2,0,0,0,0|1,0,0]=3 5700 B12R1.69 Nc1cc(ccc1OCC=O)F 34a_100000759472_200009817547 [0,2,0,0,0,0|1,0,0]=3 5701 B12R1.69 Nc1cc(ccc1OCC=O)F 7a_100000759472_200015260668 [0,2,0,0,0,0|1,0,0]=3 5702 B12R1.69 Nc1cc(ccc1OCC=O)I 34a_100000753495_200009817547 [0,2,0,0,0,0|1,0,0]=3 5703 B12R1.69 Nc1cc(ccc1OCC=O)I 7a_100000753495_200015260668 [0,2,0,0,0,0|1,0,0]=3 5704 B12R1.69 Nc1cc(ccc1OCCF)Br 34a_100000752626_100011217306 [0,2,0,0,0,0|1,0,1]=4 5705 B12R1.69 Nc1cc(ccc1OCCF)Br 7a_100000752626_100011217306 [0,2,0,0,0,0|1,0,1]=4 5706 B12R1.69 Nc1cc(ccc1OCCF)Cl 34a_100000210500_100011217306 [0,2,0,0,0,0|1,0,1]=4 5707 B12R1.69 Nc1cc(ccc1OCCF)Cl 7a_100000210500_100011217306 [0,2,0,0,0,0|1,0,1]=4 5708 B12R1.69 Nc1cc(ccc1OCCF)F 34a_100000759472_100011217306 [0,2,0,0,0,0|1,0,1]=4 5709 B12R1.69 Nc1cc(ccc1OCCF)F 7a_100000759472_100011217306 [0,2,0,0,0,0|1,0,1]=4 5710 B12R1.69 Nc1cc(ccc1OCCF)I 34a_100000753495_100011217306 [0,2,0,0,0,0|1,0,1]=4 5711 B12R1.69 Nc1cc(ccc1OCCF)I 7a_100000753495_100011217306 [0,2,0,0,0,0|1,0,1]=4 5712 B12R1.69 Nc1cc(ccc1OCCO)Br 34a_100000752626_100000211926 [0,2,0,0,0,0|1,0,1]=4 5713 B12R1.69 Nc1cc(ccc1OCCO)Br 7a_100000752626_100000211926 [0,2,0,0,0,0|1,0,1]=4 5714 B12R1.69 Nc1cc(ccc1OCCO)Cl 34a_100000210500_100000211926 [0,2,0,0,0,0|1,0,1]=4 5715 B12R1.69 Nc1cc(ccc1OCCO)Cl 7a_100000210500_100000211926 [0,2,0,0,0,0|1,0,1]=4 5716 B12R1.69 Nc1cc(ccc1OCCO)F 34a_100000759472_100000211926 [0,2,0,0,0,0|1,0,1]=4 5717 B12R1.69 Nc1cc(ccc1OCCO)F 7a_100000759472_100000211926 [0,2,0,0,0,0|1,0,1]=4 5718 B12R1.69 Nc1cc(ccc1OCCO)I 34a_100000753495_100000211926 [0,2,0,0,0,0|1,0,1]=4 5719 B12R1.69 Nc1cc(ccc1OCCO)I 7a_100000753495_100000211926 [0,2,0,0,0,0|1,0,1]=4 5720 B12R1.69 Nc1cc(ccc1SCC=O)Br 62a_100000743836_200015260668 [0,2,0,0,0,0|1,1,0]=4 5721 B12R1.69 Nc1cc(ccc1SCC=O)Br 62a_200015260668_100000743836 [0,2,0,0,0,0|1,1,0]=4 5722 B12R1.69 Nc1cc(ccc1SCC=O)Cl 62a_100000761886_200015260668 [0,2,0,0,0,0|1,1,0]=4 5723 B12R1.69 Nc1cc(ccc1SCC=O)Cl 62a_200015260668_100000761886 [0,2,0,0,0,0|1,1,0]=4 5724 B12R1.69 Nc1cc(ccc1SCC=O)F 62a_100000687223_200015260668 [0,2,0,0,0,0|1,1,0]=4 5725 B12R1.69 Nc1cc(ccc1SCC=O)F 62a_200015260668_100000687223 [0,2,0,0,0,0|1,1,0]=4 5726 B12R1.69 Nc1cc(ccc1SCC=O)O 62a_100011999798_200015260668 [0,2,0,0,0,0|1,1,0]=4 5727 B12R1.69 Nc1cc(ccc1SCC=O)O 62a_200015260668_100011999798 [0,2,0,0,0,0|1,1,0]=4 5728 B12R1.69 Nc1cc(cnc1OCC=O)Br 34a_100000743729_200009817547 [0,2,0,0,0,0|2,0,0]=4 5729 B12R1.69 Nc1cc(cnc1OCC=O)Cl 34a_100011998249_200009817547 [0,2,0,0,0,0|2,0,0]=4 5730 B12R1.69 Nc1cc(ncc1OCC=O)Br 34a_100009819941_200009817547 [0,2,0,0,0,0|2,0,0]=4 5731 B12R1.69 Nc1cc(ncc1OCC=O)Br 7a_100009819941_200015260668 [0,2,0,0,0,0|2,0,0]=4 5732 B12R1.69 Nc1ccc(c(c1)Br)OCC=O 34a_100011534360_200009817547 [0,2,0,0,0,0|1,0,0]=3 5733 B12R1.69 Nc1ccc(c(c1)Br)OCC=O 7a_100011534360_200015260668 [0,2,0,0,0,0|1,0,0]=3 5734 B12R1.69 Nc1ccc(c(c1)Br)OCCF 34a_100011534360_100011217306 [0,2,0,0,0,0|1,0,1]=4 5735 B12R1.69 Nc1ccc(c(c1)Br)OCCF 7a_100011534360_100011217306 [0,2,0,0,0,0|1,0,1]=4 5736 B12R1.69 Nc1ccc(c(c1)Br)OCCO 34a_100011534360_100000211926 [0,2,0,0,0,0|1,0,1]=4 5737 B12R1.69 Nc1ccc(c(c1)Br)OCCO 7a_100011534360_100000211926 [0,2,0,0,0,0|1,0,1]=4 5738 B12R1.69 Nc1ccc(c(c1)Br)SCC=O 62a_100000750458_200015260668 [0,2,0,0,0,0|1,1,0]=4 5739 B12R1.69 Nc1ccc(c(c1)Br)SCC=O 62a_200015260668_100000750458 [0,2,0,0,0,0|1,1,0]=4 5740 B12R1.69 Nc1ccc(c(c1)Cl)OCC=O 34a_100000744943_200009817547 [0,2,0,0,0,0|1,0,0]=3 5741 B12R1.69 Nc1ccc(c(c1)Cl)OCC=O 7a_100000744943_200015260668 [0,2,0,0,0,0|1,0,0]=3 5742 B12R1.69 Nc1ccc(c(c1)Cl)OCCF 34a_100000744943_100011217306 [0,2,0,0,0,0|1,0,1]=4 5743 B12R1.69 Nc1ccc(c(c1)Cl)OCCF 7a_100000744943_100011217306 [0,2,0,0,0,0|1,0,1]=4 5744 B12R1.69 Nc1ccc(c(c1)Cl)OCCO 34a_100000744943_100000211926 [0,2,0,0,0,0|1,0,1]=4 5745 B12R1.69 Nc1ccc(c(c1)Cl)OCCO 7a_100000744943_100000211926 [0,2,0,0,0,0|1,0,1]=4 5746 B12R1.69 Nc1ccc(c(c1)Cl)SCC=O 62a_100000761885_200015260668 [0,2,0,0,0,0|1,1,0]=4 5747 B12R1.69 Nc1ccc(c(c1)Cl)SCC=O 62a_200015260668_100000761885 [0,2,0,0,0,0|1,1,0]=4 5748 B12R1.69 Nc1ccc(c(c1)F)OCC=O 34a_100011220035_200009817547 [0,2,0,0,0,0|1,0,0]=3 5749 B12R1.69 Nc1ccc(c(c1)F)OCC=O 7a_100011220035_200015260668 [0,2,0,0,0,0|1,0,0]=3 5750 B12R1.69 Nc1ccc(c(c1)F)OCCF 34a_100011220035_100011217306 [0,2,0,0,0,0|1,0,1]=4 5751 B12R1.69 Nc1ccc(c(c1)F)OCCF 7a_100011220035_100011217306 [0,2,0,0,0,0|1,0,1]=4 5752 B12R1.69 Nc1ccc(c(c1)F)OCCO 34a_100011220035_100000211926 [0,2,0,0,0,0|1,0,1]=4 5753 B12R1.69 Nc1ccc(c(c1)F)OCCO 7a_100011220035_100000211926 [0,2,0,0,0,0|1,0,1]=4 5754 B12R1.69 Nc1ccc(c(c1)F)SCC=O 62a_100011356925_200015260668 [0,2,0,0,0,0|1,1,0]=4 5755 B12R1.69 Nc1ccc(c(c1)F)SCC=O 62a_200015260668_100011356925 [0,2,0,0,0,0|1,1,0]=4 5756 B12R1.69 Nc1ccc(c(c1)N)OCC=O 34a_100000725306_200009817547 [0,2,0,0,0,0|1,0,0]=3 5757 B12R1.69 Nc1ccc(c(c1)N)OCCF 34a_100000725306_100011217306 [0,2,0,0,0,0|1,0,1]=4 5758 B12R1.69 Nc1ccc(c(c1)N)OCCO 34a_100000725306_100000211926 [0,2,0,0,0,0|1,0,1]=4 5759 B12R1.69 Nc1ccc(c(c1)N)SCC=O 62a_200012175722_200015260668 [0,2,0,0,0,0|1,1,0]=4 5760 B12R1.69 Nc1ccc(c(c1)N)SCC=O 62a_200015260668_200012175722 [0,2,0,0,0,0|1,1,0]=4 5761 B12R1.69 Nc1nc(ccc1OCC=O)Br 34a_100000685527_200009817547 [0,2,0,0,0,0|2,0,0]=4 5762 B12R1.69 Nc1nc(ccc1OCC=O)Br 7a_100000685527_200015260668 [0,2,0,0,0,0|2,0,0]=4 5763 B12R1.69 Nc1nc(ccc1OCC=O)Cl 34a_100000717809_200009817547 [0,2,0,0,0,0|2,0,0]=4 5764 B12R1.69 Nc1nc(ccc1OCC=O)Cl 7a_100000717809_200015260668 [0,2,0,0,0,0|2,0,0]=4 5765 B12R1.69 O=CCNc1ccc(cc1Br)Br 34a_100000211012_200009817547 [0,2,0,0,0,0|2,0,0]=4 5766 B12R1.69 O=CCNc1ccc(cc1Br)Cl 34a_100000752454_200009817547 [0,2,0,0,0,0|2,0,0]=4 5767 B12R1.69 O=CCNc1ccc(cc1Br)F 34a_100000738039_200009817547 [0,2,0,0,0,0|2,0,0]=4 5768 B12R1.69 O=CCNc1ccc(cc1Br)O 34a_100012001276_200009817547 [0,2,0,0,0,0|2,0,0]=4 5769 B12R1.69 O=CCNc1ccc(cc1Cl)Br 34a_100000211467_200009817547 [0,2,0,0,0,0|2,0,0]=4 5770 B12R1.69 O=CCNc1ccc(cc1Cl)Cl 34a_100000185861_200009817547 [0,2,0,0,0,0|2,0,0]=4 5771 B12R1.69 O=CCNc1ccc(cc1Cl)F 34a_100000212003_200009817547 [0,2,0,0,0,0|2,0,0]=4 5772 B12R1.69 O=CCNc1ccc(cc1Cl)I 34a_100011218065_200009817547 [0,2,0,0,0,0|2,0,0]=4 5773 B12R1.69 O=CCNc1ccc(cc1Cl)O 34a_100011215599_200009817547 [0,2,0,0,0,0|2,0,0]=4 5774 B12R1.69 O=CCNc1ccc(cc1F)Br 34a_100000210722_200009817547 [0,2,0,0,0,0|2,0,0]=4 5775 B12R1.69 O=CCNc1ccc(cc1F)Cl 34a_100000211020_200009817547 [0,2,0,0,0,0|2,0,0]=4 5776 B12R1.69 O=CCNc1ccc(cc1F)F 34a_100000210720_200009817547 [0,2,0,0,0,0|2,0,0]=4 5777 B12R1.69 O=CCNc1ccc(cc1F)I 34a_100011215594_200009817547 [0,2,0,0,0,0|2,0,0]=4 5778 B12R1.69 O=CCNc1ccc(cc1F)O 34a_100000759473_200009817547 [0,2,0,0,0,0|2,0,0]=4 5779 B12R1.69 O=CCNc1ccc(cc1I)Br 34a_100000187925_200009817547 [0,2,0,0,0,0|2,0,0]=4 5780 B12R1.69 O=CCNc1ccc(cc1I)Cl 34a_100000761889_200009817547 [0,2,0,0,0,0|2,0,0]=4 5781 B12R1.69 O=CCNc1ccc(cc1I)F 34a_100000760547_200009817547 [0,2,0,0,0,0|2,0,0]=4 5782 B12R1.69 O=CCNc1ccc(cc1I)O 34a_100010084370_200009817547 [0,2,0,0,0,0|2,0,0]=4 5783 B12R1.69 O=CCNc1ccc(cc1O)Br 34a_100000739049_200009817547 [0,2,0,0,0,0|2,0,0]=4 5784 B12R1.69 O=CCNc1ccc(cc1O)Cl 34a_100000185728_200009817547 [0,2,0,0,0,0|2,0,0]=4 5785 B12R1.69 O=CCNc1ccc(cc1O)F 34a_100000753323_200009817547 [0,2,0,0,0,0|2,0,0]=4 5786 B12R1.69 O=CCNc1ccc(cc1O)O 34a_100000106777_200009817547 [0,2,0,0,0,0|2,0,0]=4 5787 B12R1.69 O=CCOc1ccc(cc1Br)Br 34a_100000188717_200009817547 [0,2,0,0,0,0|1,0,0]=3 5788 B12R1.69 O=CCOc1ccc(cc1Br)Br 7a_100000188717_200015260668 [0,2,0,0,0,0|1,0,0]=3 5789 B12R1.69 O=CCOc1ccc(cc1Br)Cl 34a_100000211998_200009817547 [0,2,0,0,0,0|1,0,0]=3 5790 B12R1.69 O=CCOc1ccc(cc1Br)Cl 7a_100000211998_200015260668 [0,2,0,0,0,0|1,0,0]=3 5791 B12R1.69 O=CCOc1ccc(cc1Br)F 34a_100000211999_200009817547 [0,2,0,0,0,0|1,0,0]=3 5792 B12R1.69 O=CCOc1ccc(cc1Br)F 7a_100000211999_200015260668 [0,2,0,0,0,0|1,0,0]=3 5793 B12R1.69 O=CCOc1ccc(cc1Br)I 34a_100012361655_200009817547 [0,2,0,0,0,0|1,0,0]=3 5794 B12R1.69 O=CCOc1ccc(cc1Br)I 7a_100012361655_200015260668 [0,2,0,0,0,0|1,0,0]=3 5795 B12R1.69 O=CCOc1ccc(cc1Cl)Br 34a_100000186472_200009817547 [0,2,0,0,0,0|1,0,0]=3 5796 B12R1.69 O=CCOc1ccc(cc1Cl)Br 7a_100000186472_200015260668 [0,2,0,0,0,0|1,0,0]=3 5797 B12R1.69 O=CCOc1ccc(cc1Cl)Cl 34a_100015191787_200009817547 [0,2,0,0,0,0|1,0,0]=3 5798 B12R1.69 O=CCOc1ccc(cc1Cl)Cl 7a_100015191787_200015260668 [0,2,0,0,0,0|1,0,0]=3 5799 B12R1.69 O=CCOc1ccc(cc1Cl)F 34a_100000212004_200009817547 [0,2,0,0,0,0|1,0,0]=3 5800 B12R1.69 O=CCOc1ccc(cc1Cl)F 7a_100000212004_200015260668 [0,2,0,0,0,0|1,0,0]=3 5801 B12R1.69 O=CCOc1ccc(cc1Cl)I 34a_100012360047_200009817547 [0,2,0,0,0,0|1,0,0]=3 5802 B12R1.69 O=CCOc1ccc(cc1Cl)I 7a_100012360047_200015260668 [0,2,0,0,0,0|1,0,0]=3 5803 B12R1.69 O=CCOc1ccc(cc1F)Br 34a_100000185481_200009817547 [0,2,0,0,0,0|1,0,0]=3 5804 B12R1.69 O=CCOc1ccc(cc1F)Br 7a_100000185481_200015260668 [0,2,0,0,0,0|1,0,0]=3 5805 B12R1.69 O=CCOc1ccc(cc1F)Cl 34a_100000230166_200009817547 [0,2,0,0,0,0|1,0,0]=3 5806 B12R1.69 O=CCOc1ccc(cc1F)Cl 7a_100000230166_200015260668 [0,2,0,0,0,0|1,0,0]=3 5807 B12R1.69 O=CCOc1ccc(cc1F)F 34a_100000230127_200009817547 [0,2,0,0,0,0|1,0,0]=3 5808 B12R1.69 O=CCOc1ccc(cc1F)F 7a_100000230127_200015260668 [0,2,0,0,0,0|1,0,0]=3 5809 B12R1.69 O=CCOc1ccc(cc1F)I 34a_100011356965_200009817547 [0,2,0,0,0,0|1,0,0]=3 5810 B12R1.69 O=CCOc1ccc(cc1F)I 7a_100011356965_200015260668 [0,2,0,0,0,0|1,0,0]=3 5811 B12R1.69 O=CCOc1ccc(cc1I)Br 34a_100012355227_200009817547 [0,2,0,0,0,0|1,0,0]=3 5812 B12R1.69 O=CCOc1ccc(cc1I)Br 7a_100012355227_200015260668 [0,2,0,0,0,0|1,0,0]=3 5813 B12R1.69 O=CCOc1ccc(cc1I)Cl 34a_100011356953_200009817547 [0,2,0,0,0,0|1,0,0]=3 5814 B12R1.69 O=CCOc1ccc(cc1I)Cl 7a_100011356953_200015260668 [0,2,0,0,0,0|1,0,0]=3 5815 B12R1.69 O=CCOc1ccc(cc1I)F 34a_100012355409_200009817547 [0,2,0,0,0,0|1,0,0]=3 5816 B12R1.69 O=CCOc1ccc(cc1I)F 7a_100012355409_200015260668 [0,2,0,0,0,0|1,0,0]=3 5817 B12R1.69 O=CCOc1ccc(cc1I)I 7a_100010001573_200015260668 [0,2,0,0,0,0|1,0,0]=3 5818 B12R1.69 O=CCOc1ccc(nc1Br)Br 34a_100009999766_200009817547 [0,2,0,0,0,0|2,0,0]=4 5819 B12R1.69 O=CCOc1ccc(nc1Br)Br 7a_100009999766_200015260668 [0,2,0,0,0,0|2,0,0]=4 5820 B12R1.69 O=CCOc1ccc(nc1Br)Cl 34a_100010219353_200009817547 [0,2,0,0,0,0|2,0,0]=4 5821 B12R1.69 O=CCOc1ccc(nc1Br)Cl 7a_100010219353_200015260668 [0,2,0,0,0,0|2,0,0]=4 5822 B12R1.69 O=CCOc1ccc(nc1Br)F 34a_100009887730_200009817547 [0,2,0,0,0,0|2,0,0]=4 5823 B12R1.69 O=CCOc1ccc(nc1Br)F 7a_100009887730_200015260668 [0,2,0,0,0,0|2,0,0]=4 5824 B12R1.69 O=CCOc1ccc(nc1Br)I 34a_100000725334_200009817547 [0,2,0,0,0,0|2,0,0]=4 5825 B12R1.69 O=CCOc1ccc(nc1Br)I 7a_100000725334_200015260668 [0,2,0,0,0,0|2,0,0]=4 5826 B12R1.69 O=CCOc1ccc(nc1Cl)Br 34a_100010246206_200009817547 [0,2,0,0,0,0|2,0,0]=4 5827 B12R1.69 O=CCOc1ccc(nc1Cl)Br 7a_100010246206_200015260668 [0,2,0,0,0,0|2,0,0]=4 5828 B12R1.69 O=CCOc1ccc(nc1Cl)Cl 34a_100000101165_200009817547 [0,2,0,0,0,0|2,0,0]=4 5829 B12R1.69 O=CCOc1ccc(nc1Cl)Cl 7a_100000101165_200015260668 [0,2,0,0,0,0|2,0,0]=4 5830 B12R1.69 O=CCOc1ccc(nc1Cl)I 34a_100000721234_200009817547 [0,2,0,0,0,0|2,0,0]=4 5831 B12R1.69 O=CCOc1ccc(nc1Cl)I 7a_100000721234_200015260668 [0,2,0,0,0,0|2,0,0]=4 5832 B12R1.69 O=CCOc1ccc(nc1F)Br 34a_100009819667_200009817547 [0,2,0,0,0,0|2,0,0]=4 5833 B12R1.69 O=CCOc1ccc(nc1F)Br 7a_100009819667_200015260668 [0,2,0,0,0,0|2,0,0]=4 5834 B12R1.69 O=CCOc1ccc(nc1F)Cl 34a_100009880201_200009817547 [0,2,0,0,0,0|2,0,0]=4 5835 B12R1.69 O=CCOc1ccc(nc1F)Cl 7a_100009880201_200015260668 [0,2,0,0,0,0|2,0,0]=4 5836 B12R1.69 O=CCOc1ccc(nc1F)F 34a_100000101184_200009817547 [0,2,0,0,0,0|2,0,0]=4 5837 B12R1.69 O=CCOc1ccc(nc1F)F 7a_100000101184_200015260668 [0,2,0,0,0,0|2,0,0]=4 5838 B12R1.69 O=CCOc1ccc(nc1I)Br 34a_100010253912_200009817547 [0,2,0,0,0,0|2,0,0]=4 5839 B12R1.69 O=CCOc1ccc(nc1I)Br 7a_100010253912_200015260668 [0,2,0,0,0,0|2,0,0]=4 5840 B12R1.69 O=CCOc1ccc(nc1I)Cl 34a_100000696390_200009817547 [0,2,0,0,0,0|2,0,0]=4 5841 B12R1.69 O=CCOc1ccc(nc1I)Cl 7a_100000696390_200015260668 [0,2,0,0,0,0|2,0,0]=4 5842 B12R1.69 O=CCOc1ccc(nc1I)F 34a_100010382442_200009817547 [0,2,0,0,0,0|2,0,0]=4 5843 B12R1.69 O=CCOc1ccc(nc1I)F 7a_100010382442_200015260668 [0,2,0,0,0,0|2,0,0]=4 5844 B12R1.69 O=CCOc1cnc(cc1Cl)Cl 34a_100009868576_200009817547 [0,2,0,0,0,0|2,0,0]=4 5845 B12R1.69 O=CCOc1cnc(cc1Cl)Cl 7a_100009868576_200015260668 [0,2,0,0,0,0|2,0,0]=4 5846 B12R1.69 O=CCOc1cnc(cc1F)F 34a_100009885687_200009817547 [0,2,0,0,0,0|2,0,0]=4 5847 B12R1.69 O=CCOc1cnc(cc1F)F 7a_100009885687_200015260668 [0,2,0,0,0,0|2,0,0]=4 5848 B12R1.69 O=CCOc1cnc(cc1I)Cl 34a_100000698892_200009817547 [0,2,0,0,0,0|2,0,0]=4 5849 B12R1.69 O=CCOc1cnc(cc1I)Cl 7a_100000698892_200015260668 [0,2,0,0,0,0|2,0,0]=4 5850 B12R1.69 O=CCOc1ncc(cc1Br)Br 34a_100000701035_200009817547 [0,2,0,0,0,0|2,0,0]=4 5851 B12R1.69 O=CCOc1ncc(cc1Cl)Br 34a_100012339560_200009817547 [0,2,0,0,0,0|2,0,0]=4 5852 B12R1.69 O=CCOc1ncc(cc1Cl)F 34a_100009847679_200009817547 [0,2,0,0,0,0|2,0,0]=4 5853 B12R1.69 O=CCOc1ncc(cc1F)Cl 34a_100011998252_200009817547 [0,2,0,0,0,0|2,0,0]=4 5854 B12R1.69 O=CCOc1ncc(cc1F)F 34a_100012025737_200009817547 [0,2,0,0,0,0|2,0,0]=4 5855 B12R1.69 O=CCSc1ccc(cc1Br)Br 62a_100011484698_200015260668 [0,2,0,0,0,0|1,1,0]=4 5856 B12R1.69 O=CCSc1ccc(cc1Br)Br 62a_200015260668_100011484698 [0,2,0,0,0,0|1,1,0]=4 5857 B12R1.69 O=CCSc1ccc(cc1Br)Cl 62a_100011219703_200015260668 [0,2,0,0,0,0|1,1,0]=4 5858 B12R1.69 O=CCSc1ccc(cc1Br)Cl 62a_200015260668_100011219703 [0,2,0,0,0,0|1,1,0]=4 5859 B12R1.69 O=CCSc1ccc(cc1Br)F 62a_100011217111_200015260668 [0,2,0,0,0,0|1,1,0]=4 5860 B12R1.69 O=CCSc1ccc(cc1Br)F 62a_200015260668_100011217111 [0,2,0,0,0,0|1,1,0]=4 5861 B12R1.69 O=CCSc1ccc(cc1Br)O 62a_100000701344_200015260668 [0,2,0,0,0,0|1,1,0]=4 5862 B12R1.69 O=CCSc1ccc(cc1Br)O 62a_200015260668_100000701344 [0,2,0,0,0,0|1,1,0]=4 5863 B12R1.69 O=CCSc1ccc(cc1Cl)Br 62a_100011216062_200015260668 [0,2,0,0,0,0|1,1,0]=4 5864 B12R1.69 O=CCSc1ccc(cc1Cl)Br 62a_200015260668_100011216062 [0,2,0,0,0,0|1,1,0]=4 5865 B12R1.69 O=CCSc1ccc(cc1Cl)Cl 62a_100000699841_200015260668 [0,2,0,0,0,0|1,1,0]=4 5866 B12R1.69 O=CCSc1ccc(cc1Cl)Cl 62a_200015260668_100000699841 [0,2,0,0,0,0|1,1,0]=4 5867 B12R1.69 O=CCSc1ccc(cc1Cl)F 62a_100000733362_200015260668 [0,2,0,0,0,0|1,1,0]=4 5868 B12R1.69 O=CCSc1ccc(cc1Cl)F 62a_200015260668_100000733362 [0,2,0,0,0,0|1,1,0]=4 5869 B12R1.69 O=CCSc1ccc(cc1Cl)O 62a_100000047559_200015260668 [0,2,0,0,0,0|1,1,0]=4 5870 B12R1.69 O=CCSc1ccc(cc1Cl)O 62a_200015260668_100000047559 [0,2,0,0,0,0|1,1,0]=4 5871 B12R1.69 O=CCSc1ccc(cc1F)Br 62a_100009814013_200015260668 [0,2,0,0,0,0|1,1,0]=4 5872 B12R1.69 O=CCSc1ccc(cc1F)Br 62a_200015260668_100009814013 [0,2,0,0,0,0|1,1,0]=4 5873 B12R1.69 O=CCSc1ccc(cc1F)Cl 62a_100011216042_200015260668 [0,2,0,0,0,0|1,1,0]=4 5874 B12R1.69 O=CCSc1ccc(cc1F)Cl 62a_200015260668_100011216042 [0,2,0,0,0,0|1,1,0]=4 5875 B12R1.69 O=CCSc1ccc(cc1F)F 62a_100000750030_200015260668 [0,2,0,0,0,0|1,1,0]=4 5876 B12R1.69 O=CCSc1ccc(cc1F)F 62a_200015260668_100000750030 [0,2,0,0,0,0|1,1,0]=4 5877 B12R1.69 O=CCSc1ccc(cc1F)O 62a_100000755031_200015260668 [0,2,0,0,0,0|1,1,0]=4 5878 B12R1.69 O=CCSc1ccc(cc1F)O 62a_200015260668_100000755031 [0,2,0,0,0,0|1,1,0]=4 5879 B12R1.69 O=CCSc1ccc(cc1O)Br 62a_100012344904_200015260668 [0,2,0,0,0,0|1,1,0]=4 5880 B12R1.69 O=CCSc1ccc(cc1O)Br 62a_200015260668_100012344904 [0,2,0,0,0,0|1,1,0]=4 5881 B12R1.69 O=CCSc1ccc(cc1O)Cl 62a_100000050036_200015260668 [0,2,0,0,0,0|1,1,0]=4 5882 B12R1.69 O=CCSc1ccc(cc1O)Cl 62a_200015260668_100000050036 [0,2,0,0,0,0|1,1,0]=4 5883 B12R1.69 O=CCSc1ccc(cc1O)F 62a_100000690578_200015260668 [0,2,0,0,0,0|1,1,0]=4 5884 B12R1.69 O=CCSc1ccc(cc1O)F 62a_200015260668_100000690578 [0,2,0,0,0,0|1,1,0]=4 5885 B12R1.69 O=CCSc1ccc(cc1O)O 62a_200015260668_100009813921 [0,2,0,0,0,0|1,1,0]=4 5886 B12R1.69 OCCOc1ccc(cc1Br)Br 34a_100000188717_100000211926 [0,2,0,0,0,0|1,0,1]=4 5887 B12R1.69 OCCOc1ccc(cc1Br)Br 7a_100000188717_100000211926 [0,2,0,0,0,0|1,0,1]=4 5888 B12R1.69 OCCOc1ccc(cc1Br)Cl 34a_100000211998_100000211926 [0,2,0,0,0,0|1,0,1]=4 5889 B12R1.69 OCCOc1ccc(cc1Br)Cl 7a_100000211998_100000211926 [0,2,0,0,0,0|1,0,1]=4 5890 B12R1.69 OCCOc1ccc(cc1Br)F 34a_100000211999_100000211926 [0,2,0,0,0,0|1,0,1]=4 5891 B12R1.69 OCCOc1ccc(cc1Br)F 7a_100000211999_100000211926 [0,2,0,0,0,0|1,0,1]=4 5892 B12R1.69 OCCOc1ccc(cc1Br)I 34a_100012361655_100000211926 [0,2,0,0,0,0|1,0,1]=4 5893 B12R1.69 OCCOc1ccc(cc1Br)I 7a_100012361655_100000211926 [0,2,0,0,0,0|1,0,1]=4 5894 B12R1.69 OCCOc1ccc(cc1Cl)Br 34a_100000186472_100000211926 [0,2,0,0,0,0|1,0,1]=4 5895 B12R1.69 OCCOc1ccc(cc1Cl)Br 7a_100000186472_100000211926 [0,2,0,0,0,0|1,0,1]=4 5896 B12R1.69 OCCOc1ccc(cc1Cl)Cl 34a_100015191787_100000211926 [0,2,0,0,0,0|1,0,1]=4 5897 B12R1.69 OCCOc1ccc(cc1Cl)Cl 7a_100015191787_100000211926 [0,2,0,0,0,0|1,0,1]=4 5898 B12R1.69 OCCOc1ccc(cc1Cl)F 34a_100000212004_100000211926 [0,2,0,0,0,0|1,0,1]=4 5899 B12R1.69 OCCOc1ccc(cc1Cl)F 7a_100000212004_100000211926 [0,2,0,0,0,0|1,0,1]=4 5900 B12R1.69 OCCOc1ccc(cc1Cl)I 34a_100012360047_100000211926 [0,2,0,0,0,0|1,0,1]=4 5901 B12R1.69 OCCOc1ccc(cc1Cl)I 7a_100012360047_100000211926 [0,2,0,0,0,0|1,0,1]=4 5902 B12R1.69 OCCOc1ccc(cc1F)Br 34a_100000185481_100000211926 [0,2,0,0,0,0|1,0,1]=4 5903 B12R1.69 OCCOc1ccc(cc1F)Br 7a_100000185481_100000211926 [0,2,0,0,0,0|1,0,1]=4 5904 B12R1.69 OCCOc1ccc(cc1F)Cl 34a_100000230166_100000211926 [0,2,0,0,0,0|1,0,1]=4 5905 B12R1.69 OCCOc1ccc(cc1F)Cl 7a_100000230166_100000211926 [0,2,0,0,0,0|1,0,1]=4 5906 B12R1.69 OCCOc1ccc(cc1F)F 34a_100000230127_100000211926 [0,2,0,0,0,0|1,0,1]=4 5907 B12R1.69 OCCOc1ccc(cc1F)F 7a_100000230127_100000211926 [0,2,0,0,0,0|1,0,1]=4 5908 B12R1.69 OCCOc1ccc(cc1F)I 34a_100011356965_100000211926 [0,2,0,0,0,0|1,0,1]=4 5909 B12R1.69 OCCOc1ccc(cc1F)I 7a_100011356965_100000211926 [0,2,0,0,0,0|1,0,1]=4 5910 B12R1.69 OCCOc1ccc(cc1I)Br 34a_100012355227_100000211926 [0,2,0,0,0,0|1,0,1]=4 5911 B12R1.69 OCCOc1ccc(cc1I)Br 7a_100012355227_100000211926 [0,2,0,0,0,0|1,0,1]=4 5912 B12R1.69 OCCOc1ccc(cc1I)Cl 34a_100011356953_100000211926 [0,2,0,0,0,0|1,0,1]=4 5913 B12R1.69 OCCOc1ccc(cc1I)Cl 7a_100011356953_100000211926 [0,2,0,0,0,0|1,0,1]=4 5914 B12R1.69 OCCOc1ccc(cc1I)F 34a_100012355409_100000211926 [0,2,0,0,0,0|1,0,1]=4 5915 B12R1.69 OCCOc1ccc(cc1I)F 7a_100012355409_100000211926 [0,2,0,0,0,0|1,0,1]=4 5916 B12R1.69 OCCOc1ccc(cc1I)I 7a_100010001573_100000211926 [0,2,0,0,0,0|1,0,1]=4 5917 B12R1.71 C#CCOc1ccc(cc1)C#N 34a_100000210344_100000184674 [0,2,0,0,0,0|0,0,2]=4 5918 B12R1.71 C#CCOc1ccc(cc1)C#N 7a_100000210344_100000038162 [0,2,0,0,0,0|0,0,2]=4 5919 B12R1.71 C#CCOc1ccc(cc1)C=C 34a_100000189437_100000184674 [0,2,0,0,0,0|0,0,2]=4 5920 B12R1.71 C#CCOc1ccc(cc1)C=C 7a_100000189437_100000038162 [0,2,0,0,0,0|0,0,2]=4 5921 B12R1.71 C#CCOc1ccc(cc1)CC 34a_100000211359_100000184674 [0,2,0,0,0,0|0,0,2]=4 5922 B12R1.71 C#CCOc1ccc(cc1)CC 7a_100000211359_100000038162 [0,2,0,0,0,0|0,0,2]=4 5923 B12R1.71 C#CCOc1ccc(cc1)CN 34a_100000185549_100000184674 [0,2,0,0,0,0|0,0,2]=4 5924 B12R1.71 C#CCOc1ccc(cc1)CO 34a_100000211755_100000184674 [0,2,0,0,0,0|0,0,2]=4 5925 B12R1.71 C#CCOc1ccc(cc1)NC 2230a_100000753246_200000210301 [0,2,0,0,0,0|0,0,2]=4 5926 B12R1.71 C#CCOc1ccc(cc1)NC 34a_100000182112_100000184674 [0,2,0,0,0,0|0,0,2]=4 5927 B12R1.71 C#CCOc1ccc(cc1)NC 34a_100000753246_200000210301 [0,2,0,0,0,0|0,0,2]=4 5928 B12R1.71 C#CCOc1ccc(cc1)N[13CH3] 2230a_100000753246_200025704644 [0,2,0,0,0,0|0,0,2]=4 5929 B12R1.71 C#CCOc1ccc(cc1)N[13CH3] 34a_100000753246_200025704644 [0,2,0,0,0,0|0,0,2]=4 5930 B12R1.71 C#CCOc1ccc(cc1)OC 34a_100000210503_100000184674 [0,2,0,0,0,0|0,0,2]=4 5931 B12R1.71 C#CCOc1ccc(cc1)SC 34a_100000211864_100000184674 [0,2,0,0,0,0|0,0,2]=4 5932 B12R1.71 C#Cc1ccc(cc1)NCC=C 34a_100011215031_100015514636 [0,2,0,0,0,0|1,0,0]=3 5933 B12R1.71 C#Cc1ccc(cc1)NCC=O 34a_100011215031_200009817547 [0,2,0,0,0,0|2,0,0]=4 5934 B12R1.71 C#Cc1ccc(nc1)OCC=C 34a_200009884252_100015514636 [0,2,0,0,0,0|1,0,0]=3 5935 B12R1.71 C#Cc1ccc(nc1)OCC=O 34a_200009884252_200009817547 [0,2,0,0,0,0|2,0,0]=4 5936 B12R1.71 C=CCNc1ccc(cc1)C#N 34a_100000185469_100015514636 [0,2,0,0,0,0|1,0,0]=3 5937 B12R1.71 C=CCNc1ccc(cc1)C=C 34a_100011218248_100015514636 [0,2,0,0,0,0|1,0,0]=3 5938 B12R1.71 C=CCNc1ccc(cc1)CC 2230a_100000211069_100000210623 [0,2,0,0,0,0|1,0,0]=3 5939 B12R1.71 C=CCNc1ccc(cc1)CC 34a_100000211069_100015514636 [0,2,0,0,0,0|1,0,0]=3 5940 B12R1.71 C=CCNc1ccc(cc1)CO 2230a_100011215238_100000210623 [0,2,0,0,0,0|1,0,0]=3 5941 B12R1.71 C=CCNc1ccc(cc1)CO 34a_100011215238_100015514636 [0,2,0,0,0,0|1,0,0]=3 5942 B12R1.71 C=CCNc1ccc(cc1)OC 34a_100000184247_100015514636 [0,2,0,0,0,0|1,0,0]=3 5943 B12R1.71 C=CCNc1ccc(cc1)SC 34a_100000212337_100015514636 [0,2,0,0,0,0|1,0,0]=3 5944 B12R1.71 C=CCNc1ccc(cn1)C#N 27a_100020586998_100000241038 [0,2,0,0,0,0|2,0,0]=4 5945 B12R1.71 C=CCNc1ccc(cn1)SC 27a_100020586998_100009820866 [0,2,0,0,0,0|2,0,0]=4 5946 B12R1.71 C=CCOc1ccc(cc1)C#N 34a_100000210344_100015514636 [0,2,0,0,0,0|0,0,0]=2 5947 B12R1.71 C=CCOc1ccc(cc1)C#N 7a_100000210344_100015514636 [0,2,0,0,0,0|0,0,0]=2 5948 B12R1.71 C=CCOc1ccc(cc1)C=C 271570a_100011290941_100000172055 [0,2,0,0,0,0|0,0,0]=2 5949 B12R1.71 C=CCOc1ccc(cc1)C=C 34a_100000189437_100015514636 [0,2,0,0,0,0|0,0,0]=2 5950 B12R1.71 C=CCOc1ccc(cc1)C=C 7a_100000189437_100015514636 [0,2,0,0,0,0|0,0,0]=2 5951 B12R1.71 C=CCOc1ccc(cc1)CC 34a_100000211359_100015514636 [0,2,0,0,0,0|0,0,0]=2 5952 B12R1.71 C=CCOc1ccc(cc1)CC 7a_100000211359_100015514636 [0,2,0,0,0,0|0,0,0]=2 5953 B12R1.71 C=CCOc1ccc(cc1)CN 34a_100000185549_100015514636 [0,2,0,0,0,0|0,0,0]=2 5954 B12R1.71 C=CCOc1ccc(cc1)CO 34a_100000211755_100015514636 [0,2,0,0,0,0|0,0,0]=2 5955 B12R1.71 C=CCOc1ccc(cc1)NC 34a_100000182112_100015514636 [0,2,0,0,0,0|0,0,0]=2 5956 B12R1.71 C=CCOc1ccc(cc1)OC 34a_100000210503_100015514636 [0,2,0,0,0,0|0,0,0]=2 5957 B12R1.71 C=CCOc1ccc(cc1)SC 34a_100000211864_100015514636 [0,2,0,0,0,0|0,0,0]=2 5958 B12R1.71 C=CCOc1ccc(cc1)SC 62a_100000172055_200000210301 [0,2,0,0,0,0|0,0,0]=2 5959 B12R1.71 C=CCOc1ccc(cc1)SC 62a_200000210301_100000172055 [0,2,0,0,0,0|0,0,0]=2 5960 B12R1.71 C=CCOc1ccc(cc1)S[13CH3] 62a_100000172055_200025704644 [0,2,0,0,0,0|0,0,0]=2 5961 B12R1.71 C=CCOc1ccc(cc1)S[13CH3] 62a_200025704644_100000172055 [0,2,0,0,0,0|0,0,0]=2 5962 B12R1.71 C=CCOc1ccc(cn1)CN 34a_100000757128_100015514636 [0,2,0,0,0,0|1,0,0]=3 5963 B12R1.71 C=CCOc1ccc(cn1)OC 34a_100012002028_100015514636 [0,2,0,0,0,0|1,0,0]=3 5964 B12R1.71 C=CCOc1ccc(nc1)C#N 34a_100011934750_100015514636 [0,2,0,0,0,0|1,0,0]=3 5965 B12R1.71 C=CCOc1ccc(nc1)C#N 7a_100011934750_100015514636 [0,2,0,0,0,0|1,0,0]=3 5966 B12R1.71 C=CCOc1ccc(nc1)CN 34a_100020605196_100015514636 [0,2,0,0,0,0|1,0,0]=3 5967 B12R1.71 C=CCOc1ccc(nc1)CO 34a_103436540053_100015514636 [0,2,0,0,0,0|1,0,0]=3 5968 B12R1.71 C=CCOc1ccc(nc1)OC 34a_100011934560_100015514636 [0,2,0,0,0,0|1,0,0]=3 5969 B12R1.71 C=CCOc1cnc(nc1)C#N 7a_100000707606_100015514636 [0,2,0,0,0,0|2,0,0]=4 5970 B12R1.71 C=CCOc1cnc(nc1)OC 34a_100000099601_100015514636 [0,2,0,0,0,0|2,0,0]=4 5971 B12R1.71 C=CCOc1cnc(nc1)OC 7a_100000099601_100015514636 [0,2,0,0,0,0|2,0,0]=4 5972 B12R1.71 C=CCOc1cnc(nc1)SC 34a_100000075549_100015514636 [0,2,0,0,0,0|2,0,0]=4 5973 B12R1.71 C=CCOc1cnc(nc1)SC 7a_100000075549_100015514636 [0,2,0,0,0,0|2,0,0]=4 5974 B12R1.71 C=CCSc1ccc(cc1)C#N 62a_100000210623_100000184291 [0,2,0,0,0,0|0,1,0]=3 5975 B12R1.71 C=CCSc1ccc(cc1)C=C 62a_100000210623_100000748128 [0,2,0,0,0,0|0,1,0]=3 5976 B12R1.71 C=CCSc1ccc(cc1)C=C 62a_100000748128_100000210623 [0,2,0,0,0,0|0,1,0]=3 5977 B12R1.71 C=CCSc1ccc(cc1)C=O 62a_100000188517_100000210623 [0,2,0,0,0,0|0,1,0]=3 5978 B12R1.71 C=CCSc1ccc(cc1)C=O 62a_100000210623_100000188517 [0,2,0,0,0,0|0,1,0]=3 5979 B12R1.71 C=CCSc1ccc(cc1)CC 62a_100000210623_100011215824 [0,2,0,0,0,0|0,1,0]=3 5980 B12R1.71 C=CCSc1ccc(cc1)CC 62a_100011215824_100000210623 [0,2,0,0,0,0|0,1,0]=3 5981 B12R1.71 C=CCSc1ccc(cc1)CF 62a_100000210623_100010268989 [0,2,0,0,0,0|0,1,0]=3 5982 B12R1.71 C=CCSc1ccc(cc1)CF 62a_100010268989_100000210623 [0,2,0,0,0,0|0,1,0]=3 5983 B12R1.71 C=CCSc1ccc(cc1)CN 62a_100000210623_100016989417 [0,2,0,0,0,0|0,1,0]=3 5984 B12R1.71 C=CCSc1ccc(cc1)CN 62a_100016989417_100000210623 [0,2,0,0,0,0|0,1,0]=3 5985 B12R1.71 C=CCSc1ccc(cc1)CO 62a_100000210623_100000690907 [0,2,0,0,0,0|0,1,0]=3 5986 B12R1.71 C=CCSc1ccc(cc1)CO 62a_100000690907_100000210623 [0,2,0,0,0,0|0,1,0]=3 5987 B12R1.71 C=CCSc1ccc(cc1)NC 62a_100000210623_100000743151 [0,2,0,0,0,0|0,1,0]=3 5988 B12R1.71 C=CCSc1ccc(cc1)NC 62a_100000743151_100000210623 [0,2,0,0,0,0|0,1,0]=3 5989 B12R1.71 C=CCSc1ccc(cc1)NN 62a_100000210623_100016988836 [0,2,0,0,0,0|0,1,0]=3 5990 B12R1.71 C=CCSc1ccc(cc1)NN 62a_100016988836_100000210623 [0,2,0,0,0,0|0,1,0]=3 5991 B12R1.71 C=CCSc1ccc(cc1)OC 62a_100000210623_100000171711 [0,2,0,0,0,0|0,1,0]=3 5992 B12R1.71 C=CCSc1ccc(cc1)SC 62a_100000210623_100011263217 [0,2,0,0,0,0|0,1,0]=3 5993 B12R1.71 C=CCSc1ccc(cc1)SC 62a_100011263217_100000210623 [0,2,0,0,0,0|0,1,0]=3 5994 B12R1.71 C=CCSc1ccc(cn1)C#N 62a_100000210623_100000241038 [0,2,0,0,0,0|1,1,0]=4 5995 B12R1.71 C=CCSc1ccc(cn1)C=C 62a_100000210623_103436540071 [0,2,0,0,0,0|1,1,0]=4 5996 B12R1.71 C=CCSc1ccc(cn1)C=C 62a_103436540071_100000210623 [0,2,0,0,0,0|1,1,0]=4 5997 B12R1.71 C=CCSc1ccc(cn1)C=O 62a_100000210623_100000766901 [0,2,0,0,0,0|1,1,0]=4 5998 B12R1.71 C=CCSc1ccc(cn1)C=O 62a_100000766901_100000210623 [0,2,0,0,0,0|1,1,0]=4 5999 B12R1.71 C=CCSc1ccc(cn1)CC 62a_100000210623_100009843584 [0,2,0,0,0,0|1,1,0]=4 6000 B12R1.71 C=CCSc1ccc(cn1)CC 62a_100009843584_100000210623 [0,2,0,0,0,0|1,1,0]=4 6001 B12R1.71 C=CCSc1ccc(cn1)CN 62a_100000210623_100000735879 [0,2,0,0,0,0|1,1,0]=4 6002 B12R1.71 C=CCSc1ccc(cn1)CN 62a_100000735879_100000210623 [0,2,0,0,0,0|1,1,0]=4 6003 B12R1.71 C=CCSc1ccc(cn1)CO 62a_100000210623_100009816760 [0,2,0,0,0,0|1,1,0]=4 6004 B12R1.71 C=CCSc1ccc(cn1)CO 62a_100009816760_100000210623 [0,2,0,0,0,0|1,1,0]=4 6005 B12R1.71 C=CCSc1ccc(cn1)NC 62a_100000210623_100000764248 [0,2,0,0,0,0|1,1,0]=4 6006 B12R1.71 C=CCSc1ccc(cn1)NC 62a_100000764248_100000210623 [0,2,0,0,0,0|1,1,0]=4 6007 B12R1.71 C=CCSc1ccc(cn1)NN 62a_100000210623_100000119030 [0,2,0,0,0,0|1,1,0]=4 6008 B12R1.71 C=CCSc1ccc(cn1)NN 62a_100000755011_100000210623 [0,2,0,0,0,0|1,1,0]=4 6009 B12R1.71 C=CCSc1ccc(cn1)OC 62a_100000210623_100000744180 [0,2,0,0,0,0|1,1,0]=4 6010 B12R1.71 C=CCSc1ccc(cn1)OC 62a_100000755202_100000210623 [0,2,0,0,0,0|1,1,0]=4 6011 B12R1.71 C=CCSc1ccc(cn1)SC 62a_100000210623_100009820866 [0,2,0,0,0,0|1,1,0]=4 6012 B12R1.71 C=CCSc1ccc(cn1)SC 62a_100009820866_100000210623 [0,2,0,0,0,0|1,1,0]=4 6013 B12R1.71 C=CCSc1ccc(nc1)C#N 62a_100000210623_100000760455 [0,2,0,0,0,0|1,1,0]=4 6014 B12R1.71 C=CCSc1ccc(nc1)C=O 62a_100000210623_100000754260 [0,2,0,0,0,0|1,1,0]=4 6015 B12R1.71 C=CCSc1ccc(nc1)C=O 62a_100000754260_100000210623 [0,2,0,0,0,0|1,1,0]=4 6016 B12R1.71 C=CCSc1ccc(nc1)CC 62a_100000210623_100009820025 [0,2,0,0,0,0|1,1,0]=4 6017 B12R1.71 C=CCSc1ccc(nc1)CC 62a_100009820025_100000210623 [0,2,0,0,0,0|1,1,0]=4 6018 B12R1.71 C=CCSc1ccc(nc1)CN 62a_100000210623_100015188789 [0,2,0,0,0,0|1,1,0]=4 6019 B12R1.71 C=CCSc1ccc(nc1)CN 62a_100015188789_100000210623 [0,2,0,0,0,0|1,1,0]=4 6020 B12R1.71 C=CCSc1ccc(nc1)CO 62a_100000210623_100000754261 [0,2,0,0,0,0|1,1,0]=4 6021 B12R1.71 C=CCSc1ccc(nc1)CO 62a_100000754261_100000210623 [0,2,0,0,0,0|1,1,0]=4 6022 B12R1.71 C=CCSc1ccc(nc1)NC 62a_100000210623_100000741341 [0,2,0,0,0,0|1,1,0]=4 6023 B12R1.71 C=CCSc1ccc(nc1)NC 62a_100000741341_100000210623 [0,2,0,0,0,0|1,1,0]=4 6024 B12R1.71 C=CCSc1ccc(nc1)NN 62a_100000210623_100000750576 [0,2,0,0,0,0|1,1,0]=4 6025 B12R1.71 C=CCSc1ccc(nc1)NN 62a_100000750576_100000210623 [0,2,0,0,0,0|1,1,0]=4 6026 B12R1.71 C=CCSc1ccc(nc1)OC 62a_100000047065_100000210623 [0,2,0,0,0,0|1,1,0]=4 6027 B12R1.71 C=CCSc1ccc(nc1)OC 62a_100000210623_100000047065 [0,2,0,0,0,0|1,1,0]=4 6028 B12R1.71 C=CCSc1ccc(nc1)SC 62a_100000210623_100011408404 [0,2,0,0,0,0|1,1,0]=4 6029 B12R1.71 C=CCSc1ccc(nc1)SC 62a_100011408404_100000210623 [0,2,0,0,0,0|1,1,0]=4 6030 B12R1.71 C=Cc1ccc(cc1)CCC=O 271570a_100011290941_100011361538 [0,2,0,0,0,0|2,0,0]=4 6031 B12R1.71 C=Cc1ccc(cc1)NCC=O 34a_100011218248_200009817547 [0,2,0,0,0,0|2,0,0]=4 6032 B12R1.71 C=Cc1ccc(cc1)OCC#N 271570a_100011290941_200000169425 [0,2,0,0,0,0|1,0,1]=4 6033 B12R1.71 C=Cc1ccc(cc1)OCC#N 7a_100000189437_100011215382 [0,2,0,0,0,0|1,0,1]=4 6034 B12R1.71 C=Cc1ccc(cc1)OCC=O 34a_100000189437_200009817547 [0,2,0,0,0,0|1,0,0]=3 6035 B12R1.71 C=Cc1ccc(cc1)OCC=O 7a_100000189437_200015260668 [0,2,0,0,0,0|1,0,0]=3 6036 B12R1.71 C=Cc1ccc(cc1)OCCC 271570a_100011290941_100000169948 [0,2,0,0,0,0|0,0,2]=4 6037 B12R1.71 C=Cc1ccc(cc1)OCCC 34a_100000189437_100000210303 [0,2,0,0,0,0|0,0,2]=4 6038 B12R1.71 C=Cc1ccc(cc1)OCCC 7a_100000189437_100000210303 [0,2,0,0,0,0|0,0,2]=4 6039 B12R1.71 C=Cc1ccc(cc1)OCCF 271570a_100011290941_100012347556 [0,2,0,0,0,0|1,0,1]=4 6040 B12R1.71 C=Cc1ccc(cc1)OCCF 34a_100000189437_100011217306 [0,2,0,0,0,0|1,0,1]=4 6041 B12R1.71 C=Cc1ccc(cc1)OCCF 7a_100000189437_100011217306 [0,2,0,0,0,0|1,0,1]=4 6042 B12R1.71 C=Cc1ccc(cc1)OCCN 271570a_100011290941_100000746992 [0,2,0,0,0,0|1,0,1]=4 6043 B12R1.71 C=Cc1ccc(cc1)OCCO 271570a_100011290941_100000686261 [0,2,0,0,0,0|1,0,1]=4 6044 B12R1.71 C=Cc1ccc(cc1)OCCO 34a_100000189437_100000211926 [0,2,0,0,0,0|1,0,1]=4 6045 B12R1.71 C=Cc1ccc(cc1)OCCO 7a_100000189437_100000211926 [0,2,0,0,0,0|1,0,1]=4 6046 B12R1.71 C=Cc1ccc(cc1)OCOC 271570a_100011290941_100012265687 [0,2,0,0,0,0|1,0,1]=4 6047 B12R1.71 C=Cc1ccc(cc1)OCSC 34a_100000189437_100011218213 [0,2,0,0,0,0|1,0,1]=4 6048 B12R1.71 C=Cc1ccc(cc1)SCC=O 62a_100000748128_200015260668 [0,2,0,0,0,0|1,1,0]=4 6049 B12R1.71 C=Cc1ccc(cc1)SCC=O 62a_200015260668_100000748128 [0,2,0,0,0,0|1,1,0]=4 6050 B12R1.71 CCCOc1ccc(cc1)C#N 34a_100000210344_100000210303 [0,2,0,0,0,0|0,0,2]=4 6051 B12R1.71 CCCOc1ccc(cc1)C#N 7a_100000210344_100000210303 [0,2,0,0,0,0|0,0,2]=4 6052 B12R1.71 CCCOc1ccc(cc1)CC 34a_100000211359_100000210303 [0,2,0,0,0,0|0,0,2]=4 6053 B12R1.71 CCCOc1ccc(cc1)CC 7a_100000211359_100000210303 [0,2,0,0,0,0|0,0,2]=4 6054 B12R1.71 CCCOc1ccc(cc1)CN 34a_100000185549_100000210303 [0,2,0,0,0,0|0,0,2]=4 6055 B12R1.71 CCCOc1ccc(cc1)CO 34a_100000211755_100000210303 [0,2,0,0,0,0|0,0,2]=4 6056 B12R1.71 CCCOc1ccc(cc1)NC 34a_100000182112_100000210303 [0,2,0,0,0,0|0,0,2]=4 6057 B12R1.71 CCCOc1ccc(cc1)NC 34a_100000748631_200000210301 [0,2,0,0,0,0|0,0,2]=4 6058 B12R1.71 CCCOc1ccc(cc1)N[13CH3] 34a_100000748631_200025704644 [0,2,0,0,0,0|0,0,2]=4 6059 B12R1.71 CCCOc1ccc(cc1)OC 34a_100000185468_200000210301 [0,2,0,0,0,0|0,0,2]=4 6060 B12R1.71 CCCOc1ccc(cc1)OC 34a_100000210503_100000210303 [0,2,0,0,0,0|0,0,2]=4 6061 B12R1.71 CCCOc1ccc(cc1)OC 7a_100000185468_200000210301 [0,2,0,0,0,0|0,0,2]=4 6062 B12R1.71 CCCOc1ccc(cc1)O[13CH3] 34a_100000185468_200025704644 [0,2,0,0,0,0|0,0,2]=4 6063 B12R1.71 CCCOc1ccc(cc1)O[13CH3] 7a_100000185468_200025704644 [0,2,0,0,0,0|0,0,2]=4 6064 B12R1.71 CCCOc1ccc(cc1)SC 34a_100000211864_100000210303 [0,2,0,0,0,0|0,0,2]=4 6065 B12R1.71 CCCOc1ccc(cc1)SC 62a_100000169948_200000210301 [0,2,0,0,0,0|0,0,2]=4 6066 B12R1.71 CCCOc1ccc(cc1)SC 62a_200000210301_100000169948 [0,2,0,0,0,0|0,0,2]=4 6067 B12R1.71 CCCOc1ccc(cc1)S[13CH3] 62a_100000169948_200025704644 [0,2,0,0,0,0|0,0,2]=4 6068 B12R1.71 CCCOc1ccc(cc1)S[13CH3] 62a_200025704644_100000169948 [0,2,0,0,0,0|0,0,2]=4 6069 B12R1.71 CCc1ccc(cc1)NCC=O 2230a_100000211069_200015260668 [0,2,0,0,0,0|2,0,0]=4 6070 B12R1.71 CCc1ccc(cc1)NCC=O 34a_100000211069_200009817547 [0,2,0,0,0,0|2,0,0]=4 6071 B12R1.71 CCc1ccc(cc1)OCC#N 7a_100000211359_100011215382 [0,2,0,0,0,0|1,0,1]=4 6072 B12R1.71 CCc1ccc(cc1)OCC=O 34a_100000211359_200009817547 [0,2,0,0,0,0|1,0,0]=3 6073 B12R1.71 CCc1ccc(cc1)OCC=O 7a_100000211359_200015260668 [0,2,0,0,0,0|1,0,0]=3 6074 B12R1.71 CCc1ccc(cc1)OCCF 34a_100000211359_100011217306 [0,2,0,0,0,0|1,0,1]=4 6075 B12R1.71 CCc1ccc(cc1)OCCF 7a_100000211359_100011217306 [0,2,0,0,0,0|1,0,1]=4 6076 B12R1.71 CCc1ccc(cc1)OCCO 34a_100000211359_100000211926 [0,2,0,0,0,0|1,0,1]=4 6077 B12R1.71 CCc1ccc(cc1)OCCO 7a_100000211359_100000211926 [0,2,0,0,0,0|1,0,1]=4 6078 B12R1.71 CCc1ccc(cc1)OCSC 34a_100000211359_100011218213 [0,2,0,0,0,0|1,0,1]=4 6079 B12R1.71 CCc1ccc(cc1)SCC=O 62a_100011215824_200015260668 [0,2,0,0,0,0|1,1,0]=4 6080 B12R1.71 CCc1ccc(cc1)SCC=O 62a_200015260668_100011215824 [0,2,0,0,0,0|1,1,0]=4 6081 B12R1.71 CNc1ccc(cc1)OCC=O 34a_100000182112_200009817547 [0,2,0,0,0,0|1,0,0]=3 6082 B12R1.71 CNc1ccc(cc1)OCCF 34a_100000182112_100011217306 [0,2,0,0,0,0|1,0,1]=4 6083 B12R1.71 CNc1ccc(cc1)OCCF 34a_100012282086_200000210301 [0,2,0,0,0,0|1,0,1]=4 6084 B12R1.71 CNc1ccc(cc1)OCCO 2230a_100000754363_200000210301 [0,2,0,0,0,0|1,0,1]=4 6085 B12R1.71 CNc1ccc(cc1)OCCO 34a_100000182112_100000211926 [0,2,0,0,0,0|1,0,1]=4 6086 B12R1.71 CNc1ccc(cc1)OCCO 34a_100000754363_200000210301 [0,2,0,0,0,0|1,0,1]=4 6087 B12R1.71 CNc1ccc(cc1)OCSC 34a_100000182112_100011218213 [0,2,0,0,0,0|1,0,1]=4 6088 B12R1.71 CNc1ccc(cc1)SCC=O 62a_100000743151_200015260668 [0,2,0,0,0,0|1,1,0]=4 6089 B12R1.71 CNc1ccc(cc1)SCC=O 62a_200015260668_100000743151 [0,2,0,0,0,0|1,1,0]=4 6090 B12R1.71 COCOc1ccc(cc1)OC 34a_200012265912_200000210301 [0,2,0,0,0,0|1,0,1]=4 6091 B12R1.71 COCOc1ccc(cc1)O[13CH3] 34a_200012265912_200025704644 [0,2,0,0,0,0|1,0,1]=4 6092 B12R1.71 COCOc1ccc(cc1)SC 62a_100012265687_200000210301 [0,2,0,0,0,0|1,0,1]=4 6093 B12R1.71 COCOc1ccc(cc1)SC 62a_200000210301_100012265687 [0,2,0,0,0,0|1,0,1]=4 6094 B12R1.71 COCOc1ccc(cc1)S[13CH3] 62a_100012265687_200025704644 [0,2,0,0,0,0|1,0,1]=4 6095 B12R1.71 COCOc1ccc(cc1)S[13CH3] 62a_200025704644_100012265687 [0,2,0,0,0,0|1,0,1]=4 6096 B12R1.71 COc1ccc(cc1)NCC=O 34a_100000184247_200009817547 [0,2,0,0,0,0|2,0,0]=4 6097 B12R1.71 COc1ccc(cc1)OCC=O 34a_100000210503_200009817547 [0,2,0,0,0,0|1,0,0]=3 6098 B12R1.71 COc1ccc(cc1)OCCF 34a_100000210503_100011217306 [0,2,0,0,0,0|1,0,1]=4 6099 B12R1.71 COc1ccc(cc1)OCCO 34a_100000210503_100000211926 [0,2,0,0,0,0|1,0,1]=4 6100 B12R1.71 COc1ccc(cc1)OCSC 34a_100000210503_100011218213 [0,2,0,0,0,0|1,0,1]=4 6101 B12R1.71 COc1ccc(cc1)SCC=O 62a_200015260668_100000171711 [0,2,0,0,0,0|1,1,0]=4 6102 B12R1.71 COc1ccc(cn1)OCC=O 34a_100011934560_200009817547 [0,2,0,0,0,0|2,0,0]=4 6103 B12R1.71 COc1ccc(nc1)OCC=O 34a_100012002028_200009817547 [0,2,0,0,0,0|2,0,0]=4 6104 B12R1.71 CSCOc1ccc(cc1)C#N 34a_100000210344_100011218213 [0,2,0,0,0,0|1,0,1]=4 6105 B12R1.71 CSCOc1ccc(cc1)CN 34a_100000185549_100011218213 [0,2,0,0,0,0|1,0,1]=4 6106 B12R1.71 CSCOc1ccc(cc1)CO 34a_100000211755_100011218213 [0,2,0,0,0,0|1,0,1]=4 6107 B12R1.71 CSCOc1ccc(cc1)SC 34a_100000211864_100011218213 [0,2,0,0,0,0|1,0,1]=4 6108 B12R1.71 CSc1ccc(cc1)CCC=O 62a_100011361538_200000210301 [0,2,0,0,0,0|2,0,0]=4 6109 B12R1.71 CSc1ccc(cc1)CCC=O 62a_200000210301_100011361538 [0,2,0,0,0,0|2,0,0]=4 6110 B12R1.71 CSc1ccc(cc1)NCC=O 34a_100000212337_200009817547 [0,2,0,0,0,0|2,0,0]=4 6111 B12R1.71 CSc1ccc(cc1)OCC#N 62a_200000169425_200000210301 [0,2,0,0,0,0|1,0,1]=4 6112 B12R1.71 CSc1ccc(cc1)OCC#N 62a_200000210301_200000169425 [0,2,0,0,0,0|1,0,1]=4 6113 B12R1.71 CSc1ccc(cc1)OCC=O 34a_100000211864_200009817547 [0,2,0,0,0,0|1,0,0]=3 6114 B12R1.71 CSc1ccc(cc1)OCCF 34a_100000211864_100011217306 [0,2,0,0,0,0|1,0,1]=4 6115 B12R1.71 CSc1ccc(cc1)OCCF 62a_100012347556_200000210301 [0,2,0,0,0,0|1,0,1]=4 6116 B12R1.71 CSc1ccc(cc1)OCCF 62a_200000210301_100012347556 [0,2,0,0,0,0|1,0,1]=4 6117 B12R1.71 CSc1ccc(cc1)OCCN 62a_100000746992_200000210301 [0,2,0,0,0,0|1,0,1]=4 6118 B12R1.71 CSc1ccc(cc1)OCCN 62a_200000210301_100000746992 [0,2,0,0,0,0|1,0,1]=4 6119 B12R1.71 CSc1ccc(cc1)OCCO 34a_100000211864_100000211926 [0,2,0,0,0,0|1,0,1]=4 6120 B12R1.71 CSc1ccc(cc1)OCCO 62a_100000686261_200000210301 [0,2,0,0,0,0|1,0,1]=4 6121 B12R1.71 CSc1ccc(cc1)OCCO 62a_200000210301_100000686261 [0,2,0,0,0,0|1,0,1]=4 6122 B12R1.71 CSc1ccc(cc1)SCC=O 62a_100011263217_200015260668 [0,2,0,0,0,0|1,1,0]=4 6123 B12R1.71 CSc1ccc(cc1)SCC=O 62a_200015260668_100011263217 [0,2,0,0,0,0|1,1,0]=4 6124 B12R1.71 N#CCOc1ccc(cc1)C#N 7a_100000210344_100011215382 [0,2,0,0,0,0|1,0,1]=4 6125 B12R1.71 N#Cc1ccc(cc1)NCC=O 34a_100000185469_200009817547 [0,2,0,0,0,0|2,0,0]=4 6126 B12R1.71 N#Cc1ccc(cc1)OCC=O 34a_100000210344_200009817547 [0,2,0,0,0,0|1,0,0]=3 6127 B12R1.71 N#Cc1ccc(cc1)OCC=O 7a_100000210344_200015260668 [0,2,0,0,0,0|1,0,0]=3 6128 B12R1.71 N#Cc1ccc(cc1)OCCF 34a_100000210344_100011217306 [0,2,0,0,0,0|1,0,1]=4 6129 B12R1.71 N#Cc1ccc(cc1)OCCF 7a_100000210344_100011217306 [0,2,0,0,0,0|1,0,1]=4 6130 B12R1.71 N#Cc1ccc(cc1)OCCO 34a_100000210344_100000211926 [0,2,0,0,0,0|1,0,1]=4 6131 B12R1.71 N#Cc1ccc(cc1)OCCO 7a_100000210344_100000211926 [0,2,0,0,0,0|1,0,1]=4 6132 B12R1.71 N#Cc1ccc(cc1)SCC=O 62a_200015260668_100000184291 [0,2,0,0,0,0|1,1,0]=4 6133 B12R1.71 N#Cc1ccc(cn1)OCC=O 34a_100011934750_200009817547 [0,2,0,0,0,0|2,0,0]=4 6134 B12R1.71 N#Cc1ccc(cn1)OCC=O 7a_100011934750_200015260668 [0,2,0,0,0,0|2,0,0]=4 6135 B12R1.71 NCc1ccc(cc1)OCC=O 34a_100000185549_200009817547 [0,2,0,0,0,0|1,0,0]=3 6136 B12R1.71 NCc1ccc(cc1)OCCF 34a_100000185549_100011217306 [0,2,0,0,0,0|1,0,1]=4 6137 B12R1.71 NCc1ccc(cc1)OCCO 34a_100000185549_100000211926 [0,2,0,0,0,0|1,0,1]=4 6138 B12R1.71 NCc1ccc(cc1)SCC=O 62a_100016989417_200015260668 [0,2,0,0,0,0|1,1,0]=4 6139 B12R1.71 NCc1ccc(cc1)SCC=O 62a_200015260668_100016989417 [0,2,0,0,0,0|1,1,0]=4 6140 B12R1.71 NCc1ccc(cn1)OCC=O 34a_100020605196_200009817547 [0,2,0,0,0,0|2,0,0]=4 6141 B12R1.71 NCc1ccc(nc1)OCC=O 34a_100000757128_200009817547 [0,2,0,0,0,0|2,0,0]=4 6142 B12R1.71 NNc1ccc(cc1)SCC=O 62a_100016988836_200015260668 [0,2,0,0,0,0|1,1,0]=4 6143 B12R1.71 NNc1ccc(cc1)SCC=O 62a_200015260668_100016988836 [0,2,0,0,0,0|1,1,0]=4 6144 B12R1.71 O=CCNc1ccc(cc1)CO 2230a_100011215238_200015260668 [0,2,0,0,0,0|2,0,0]=4 6145 B12R1.71 O=CCNc1ccc(cc1)CO 34a_100011215238_200009817547 [0,2,0,0,0,0|2,0,0]=4 6146 B12R1.71 O=CCOc1ccc(cc1)CO 34a_100000211755_200009817547 [0,2,0,0,0,0|1,0,0]=3 6147 B12R1.71 O=CCOc1ccc(nc1)CO 34a_103436540053_200009817547 [0,2,0,0,0,0|2,0,0]=4 6148 B12R1.71 O=CCSc1ccc(cc1)C=O 62a_100000188517_200015260668 [0,2,0,0,0,0|1,1,0]=4 6149 B12R1.71 O=CCSc1ccc(cc1)C=O 62a_200015260668_100000188517 [0,2,0,0,0,0|1,1,0]=4 6150 B12R1.71 O=CCSc1ccc(cc1)CF 62a_100010268989_200015260668 [0,2,0,0,0,0|1,1,0]=4 6151 B12R1.71 O=CCSc1ccc(cc1)CF 62a_200015260668_100010268989 [0,2,0,0,0,0|1,1,0]=4 6152 B12R1.71 O=CCSc1ccc(cc1)CO 62a_100000690907_200015260668 [0,2,0,0,0,0|1,1,0]=4 6153 B12R1.71 O=CCSc1ccc(cc1)CO 62a_200015260668_100000690907 [0,2,0,0,0,0|1,1,0]=4 6154 B12R1.71 OCCOc1ccc(cc1)CO 34a_100000211755_100000211926 [0,2,0,0,0,0|1,0,1]=4 6155 B12R1.71 OCc1ccc(cc1)OCCF 34a_100000211755_100011217306 [0,2,0,0,0,0|1,0,1]=4 6156 B12R1.71 [13CH3]Nc1ccc(cc1)OCCF 34a_100012282086_200025704644 [0,2,0,0,0,0|1,0,1]=4 6157 B12R1.71 [13CH3]Nc1ccc(cc1)OCCO 2230a_100000754363_200025704644 [0,2,0,0,0,0|1,0,1]=4 6158 B12R1.71 [13CH3]Nc1ccc(cc1)OCCO 34a_100000754363_200025704644 [0,2,0,0,0,0|1,0,1]=4 6159 B12R1.71 [13CH3]Sc1ccc(cc1)CCC=O 62a_100011361538_200025704644 [0,2,0,0,0,0|2,0,0]=4 6160 B12R1.71 [13CH3]Sc1ccc(cc1)CCC=O 62a_200025704644_100011361538 [0,2,0,0,0,0|2,0,0]=4 6161 B12R1.71 [13CH3]Sc1ccc(cc1)OCC#N 62a_200000169425_200025704644 [0,2,0,0,0,0|1,0,1]=4 6162 B12R1.71 [13CH3]Sc1ccc(cc1)OCC#N 62a_200025704644_200000169425 [0,2,0,0,0,0|1,0,1]=4 6163 B12R1.71 [13CH3]Sc1ccc(cc1)OCCF 62a_100012347556_200025704644 [0,2,0,0,0,0|1,0,1]=4 6164 B12R1.71 [13CH3]Sc1ccc(cc1)OCCF 62a_200025704644_100012347556 [0,2,0,0,0,0|1,0,1]=4 6165 B12R1.71 [13CH3]Sc1ccc(cc1)OCCN 62a_100000746992_200025704644 [0,2,0,0,0,0|1,0,1]=4 6166 B12R1.71 [13CH3]Sc1ccc(cc1)OCCN 62a_200025704644_100000746992 [0,2,0,0,0,0|1,0,1]=4 6167 B12R1.71 [13CH3]Sc1ccc(cc1)OCCO 62a_100000686261_200025704644 [0,2,0,0,0,0|1,0,1]=4 6168 B12R1.71 [13CH3]Sc1ccc(cc1)OCCO 62a_200025704644_100000686261 [0,2,0,0,0,0|1,0,1]=4 6169 B12R1.385 C#CCOc1ccc(c(c1)Br)C 34a_100011380479_100000184674 [0,2,0,0,0,0|0,0,2]=4 6170 B12R1.385 C#CCOc1ccc(c(c1)Br)C 7a_100011380479_100000038162 [0,2,0,0,0,0|0,0,2]=4 6171 B12R1.385 C#CCOc1ccc(c(c1)Br)Cl 34a_100011933957_100000184674 [0,2,0,0,0,0|0,0,2]=4 6172 B12R1.385 C#CCOc1ccc(c(c1)Br)Cl 7a_100011933957_100000038162 [0,2,0,0,0,0|0,0,2]=4 6173 B12R1.385 C#CCOc1ccc(c(c1)Br)F 34a_100000693481_100000184674 [0,2,0,0,0,0|0,0,2]=4 6174 B12R1.385 C#CCOc1ccc(c(c1)Br)F 7a_100000693481_100000038162 [0,2,0,0,0,0|0,0,2]=4 6175 B12R1.385 C#CCOc1ccc(c(c1)Br)I 34a_100000701344_100000184674 [0,2,0,0,0,0|0,0,2]=4 6176 B12R1.385 C#CCOc1ccc(c(c1)Br)I 7a_100000701344_100000038162 [0,2,0,0,0,0|0,0,2]=4 6177 B12R1.385 C#CCOc1ccc(c(c1)Br)N 34a_100012001276_100000184674 [0,2,0,0,0,0|0,0,2]=4 6178 B12R1.385 C#CCOc1ccc(c(c1)Br)N 7a_100012001276_100000038162 [0,2,0,0,0,0|0,0,2]=4 6179 B12R1.385 C#CCOc1ccc(c(c1)C)Br 34a_100000690111_100000184674 [0,2,0,0,0,0|0,0,2]=4 6180 B12R1.385 C#CCOc1ccc(c(c1)C)Br 7a_100000690111_100000038162 [0,2,0,0,0,0|0,0,2]=4 6181 B12R1.385 C#CCOc1ccc(c(c1)C)C 34a_100000210932_100000184674 [0,2,0,0,0,0|0,0,2]=4 6182 B12R1.385 C#CCOc1ccc(c(c1)C)C 7a_100000210932_100000038162 [0,2,0,0,0,0|0,0,2]=4 6183 B12R1.385 C#CCOc1ccc(c(c1)C)Cl 34a_100000211092_100000184674 [0,2,0,0,0,0|0,0,2]=4 6184 B12R1.385 C#CCOc1ccc(c(c1)C)Cl 7a_100000211092_100000038162 [0,2,0,0,0,0|0,0,2]=4 6185 B12R1.385 C#CCOc1ccc(c(c1)C)F 34a_100000751312_100000184674 [0,2,0,0,0,0|0,0,2]=4 6186 B12R1.385 C#CCOc1ccc(c(c1)C)F 7a_100000751312_100000038162 [0,2,0,0,0,0|0,0,2]=4 6187 B12R1.385 C#CCOc1ccc(c(c1)C)I 34a_100000729255_100000184674 [0,2,0,0,0,0|0,0,2]=4 6188 B12R1.385 C#CCOc1ccc(c(c1)C)I 7a_100000729255_100000038162 [0,2,0,0,0,0|0,0,2]=4 6189 B12R1.385 C#CCOc1ccc(c(c1)C)N 34a_100000756630_100000184674 [0,2,0,0,0,0|0,0,2]=4 6190 B12R1.385 C#CCOc1ccc(c(c1)C)N 7a_100000756630_100000038162 [0,2,0,0,0,0|0,0,2]=4 6191 B12R1.385 C#CCOc1ccc(c(c1)Cl)Br 34a_100011215161_100000184674 [0,2,0,0,0,0|0,0,2]=4 6192 B12R1.385 C#CCOc1ccc(c(c1)Cl)Br 7a_100011215161_100000038162 [0,2,0,0,0,0|0,0,2]=4 6193 B12R1.385 C#CCOc1ccc(c(c1)Cl)C 34a_100011265682_100000184674 [0,2,0,0,0,0|0,0,2]=4 6194 B12R1.385 C#CCOc1ccc(c(c1)Cl)C 7a_100011265682_100000038162 [0,2,0,0,0,0|0,0,2]=4 6195 B12R1.385 C#CCOc1ccc(c(c1)Cl)Cl 34a_100000211054_100000184674 [0,2,0,0,0,0|0,0,2]=4 6196 B12R1.385 C#CCOc1ccc(c(c1)Cl)Cl 7a_100000211054_100000038162 [0,2,0,0,0,0|0,0,2]=4 6197 B12R1.385 C#CCOc1ccc(c(c1)Cl)F 34a_100000211030_100000184674 [0,2,0,0,0,0|0,0,2]=4 6198 B12R1.385 C#CCOc1ccc(c(c1)Cl)F 7a_100000211030_100000038162 [0,2,0,0,0,0|0,0,2]=4 6199 B12R1.385 C#CCOc1ccc(c(c1)Cl)I 34a_100000047559_100000184674 [0,2,0,0,0,0|0,0,2]=4 6200 B12R1.385 C#CCOc1ccc(c(c1)Cl)I 7a_100000047559_100000038162 [0,2,0,0,0,0|0,0,2]=4 6201 B12R1.385 C#CCOc1ccc(c(c1)Cl)N 34a_100011215599_100000184674 [0,2,0,0,0,0|0,0,2]=4 6202 B12R1.385 C#CCOc1ccc(c(c1)Cl)N 7a_100011215599_100000038162 [0,2,0,0,0,0|0,0,2]=4 6203 B12R1.385 C#CCOc1ccc(c(c1)F)Br 34a_100000755031_100000184674 [0,2,0,0,0,0|0,0,2]=4 6204 B12R1.385 C#CCOc1ccc(c(c1)F)Br 7a_100000755031_100000038162 [0,2,0,0,0,0|0,0,2]=4 6205 B12R1.385 C#CCOc1ccc(c(c1)F)C 34a_100000722560_100000184674 [0,2,0,0,0,0|0,0,2]=4 6206 B12R1.385 C#CCOc1ccc(c(c1)F)C 7a_100000722560_100000038162 [0,2,0,0,0,0|0,0,2]=4 6207 B12R1.385 C#CCOc1ccc(c(c1)F)Cl 34a_100000691581_100000184674 [0,2,0,0,0,0|0,0,2]=4 6208 B12R1.385 C#CCOc1ccc(c(c1)F)Cl 7a_100000691581_100000038162 [0,2,0,0,0,0|0,0,2]=4 6209 B12R1.385 C#CCOc1ccc(c(c1)F)F 34a_100000181275_100000184674 [0,2,0,0,0,0|0,0,2]=4 6210 B12R1.385 C#CCOc1ccc(c(c1)F)F 7a_100000181275_100000038162 [0,2,0,0,0,0|0,0,2]=4 6211 B12R1.385 C#CCOc1ccc(c(c1)F)I 34a_100009990212_100000184674 [0,2,0,0,0,0|0,0,2]=4 6212 B12R1.385 C#CCOc1ccc(c(c1)F)I 7a_100009990212_100000038162 [0,2,0,0,0,0|0,0,2]=4 6213 B12R1.385 C#CCOc1ccc(c(c1)F)N 34a_100000759473_100000184674 [0,2,0,0,0,0|0,0,2]=4 6214 B12R1.385 C#CCOc1ccc(c(c1)F)N 7a_100000759473_100000038162 [0,2,0,0,0,0|0,0,2]=4 6215 B12R1.385 C#CCOc1ccc(c(c1)I)Br 34a_100012339312_100000184674 [0,2,0,0,0,0|0,0,2]=4 6216 B12R1.385 C#CCOc1ccc(c(c1)I)Br 7a_100012339312_100000038162 [0,2,0,0,0,0|0,0,2]=4 6217 B12R1.385 C#CCOc1ccc(c(c1)I)Cl 34a_100000049588_100000184674 [0,2,0,0,0,0|0,0,2]=4 6218 B12R1.385 C#CCOc1ccc(c(c1)I)Cl 7a_100000049588_100000038162 [0,2,0,0,0,0|0,0,2]=4 6219 B12R1.385 C#CCOc1ccc(c(c1)I)N 34a_100010084370_100000184674 [0,2,0,0,0,0|0,0,2]=4 6220 B12R1.385 C#CCOc1ccc(c(c1)I)N 7a_100010084370_100000038162 [0,2,0,0,0,0|0,0,2]=4 6221 B12R1.385 C#CCOc1ccc(c(c1)N)Br 34a_100011999798_100000184674 [0,2,0,0,0,0|0,0,2]=4 6222 B12R1.385 C#CCOc1ccc(c(c1)N)Br 7a_100011999798_100000038162 [0,2,0,0,0,0|0,0,2]=4 6223 B12R1.385 C#CCOc1ccc(c(c1)N)C 34a_100011216113_100000184674 [0,2,0,0,0,0|0,0,2]=4 6224 B12R1.385 C#CCOc1ccc(c(c1)N)C 7a_100011216113_100000038162 [0,2,0,0,0,0|0,0,2]=4 6225 B12R1.385 C#CCOc1ccc(c(c1)N)Cl 34a_100011934297_100000184674 [0,2,0,0,0,0|0,0,2]=4 6226 B12R1.385 C#CCOc1ccc(c(c1)N)F 34a_100012017239_100000184674 [0,2,0,0,0,0|0,0,2]=4 6227 B12R1.385 C#CCOc1ccc(c(c1)N)F 7a_100012017239_100000038162 [0,2,0,0,0,0|0,0,2]=4 6228 B12R1.385 C#CCOc1ccc(c(c1)N)N 34a_100025771000_100000184674 [0,2,0,0,0,0|0,0,2]=4 6229 B12R1.385 C=CCNc1cc(c(cn1)C)F 27a_100020586998_100009841206 [0,2,0,0,0,0|2,0,0]=4 6230 B12R1.385 C=CCNc1ccc(c(c1)Br)Br 2230a_100011306057_100000210623 [0,2,0,0,0,0|1,0,0]=3 6231 B12R1.385 C=CCNc1ccc(c(c1)Br)Br 34a_100011306057_100015514636 [0,2,0,0,0,0|1,0,0]=3 6232 B12R1.385 C=CCNc1ccc(c(c1)Br)Br 7a_100011306057_100015514636 [0,2,0,0,0,0|1,0,0]=3 6233 B12R1.385 C=CCNc1ccc(c(c1)Br)C 2230a_100000736455_100000210623 [0,2,0,0,0,0|1,0,0]=3 6234 B12R1.385 C=CCNc1ccc(c(c1)Br)C 34a_100000736455_100015514636 [0,2,0,0,0,0|1,0,0]=3 6235 B12R1.385 C=CCNc1ccc(c(c1)Br)C 7a_100000736455_100015514636 [0,2,0,0,0,0|1,0,0]=3 6236 B12R1.385 C=CCNc1ccc(c(c1)Br)Cl 2230a_100000686031_100000210623 [0,2,0,0,0,0|1,0,0]=3 6237 B12R1.385 C=CCNc1ccc(c(c1)Br)Cl 34a_100000686031_100015514636 [0,2,0,0,0,0|1,0,0]=3 6238 B12R1.385 C=CCNc1ccc(c(c1)Br)F 2230a_100000760356_100000210623 [0,2,0,0,0,0|1,0,0]=3 6239 B12R1.385 C=CCNc1ccc(c(c1)Br)F 34a_100000760356_100015514636 [0,2,0,0,0,0|1,0,0]=3 6240 B12R1.385 C=CCNc1ccc(c(c1)Br)F 7a_100000760356_100015514636 [0,2,0,0,0,0|1,0,0]=3 6241 B12R1.385 C=CCNc1ccc(c(c1)Br)I 34a_100000750458_100015514636 [0,2,0,0,0,0|1,0,0]=3 6242 B12R1.385 C=CCNc1ccc(c(c1)Br)O 34a_100011534360_100015514636 [0,2,0,0,0,0|1,0,0]=3 6243 B12R1.385 C=CCNc1ccc(c(c1)C)Br 2230a_100000210723_100000210623 [0,2,0,0,0,0|1,0,0]=3 6244 B12R1.385 C=CCNc1ccc(c(c1)C)Br 34a_100000210723_100015514636 [0,2,0,0,0,0|1,0,0]=3 6245 B12R1.385 C=CCNc1ccc(c(c1)C)Br 7a_100000210723_100015514636 [0,2,0,0,0,0|1,0,0]=3 6246 B12R1.385 C=CCNc1ccc(c(c1)C)C 2230a_100000724040_100000210623 [0,2,0,0,0,0|1,0,0]=3 6247 B12R1.385 C=CCNc1ccc(c(c1)C)C 34a_100000724040_100015514636 [0,2,0,0,0,0|1,0,0]=3 6248 B12R1.385 C=CCNc1ccc(c(c1)C)C 7a_100000724040_100015514636 [0,2,0,0,0,0|1,0,0]=3 6249 B12R1.385 C=CCNc1ccc(c(c1)C)Cl 2230a_100000187808_100000210623 [0,2,0,0,0,0|1,0,0]=3 6250 B12R1.385 C=CCNc1ccc(c(c1)C)Cl 34a_100000187808_100015514636 [0,2,0,0,0,0|1,0,0]=3 6251 B12R1.385 C=CCNc1ccc(c(c1)C)Cl 7a_100000187808_100015514636 [0,2,0,0,0,0|1,0,0]=3 6252 B12R1.385 C=CCNc1ccc(c(c1)C)F 2230a_100000750164_100000210623 [0,2,0,0,0,0|1,0,0]=3 6253 B12R1.385 C=CCNc1ccc(c(c1)C)F 34a_100000750164_100015514636 [0,2,0,0,0,0|1,0,0]=3 6254 B12R1.385 C=CCNc1ccc(c(c1)C)F 7a_100000750164_100015514636 [0,2,0,0,0,0|1,0,0]=3 6255 B12R1.385 C=CCNc1ccc(c(c1)C)I 34a_100000198070_100015514636 [0,2,0,0,0,0|1,0,0]=3 6256 B12R1.385 C=CCNc1ccc(c(c1)C)I 7a_100000198070_100015514636 [0,2,0,0,0,0|1,0,0]=3 6257 B12R1.385 C=CCNc1ccc(c(c1)C)O 34a_100011218179_100015514636 [0,2,0,0,0,0|1,0,0]=3 6258 B12R1.385 C=CCNc1ccc(c(c1)C)O 7a_100011218179_100015514636 [0,2,0,0,0,0|1,0,0]=3 6259 B12R1.385 C=CCNc1ccc(c(c1)Cl)Br 2230a_100000687081_100000210623 [0,2,0,0,0,0|1,0,0]=3 6260 B12R1.385 C=CCNc1ccc(c(c1)Cl)Br 34a_100000687081_100015514636 [0,2,0,0,0,0|1,0,0]=3 6261 B12R1.385 C=CCNc1ccc(c(c1)Cl)Br 7a_100000687081_100015514636 [0,2,0,0,0,0|1,0,0]=3 6262 B12R1.385 C=CCNc1ccc(c(c1)Cl)C 2230a_100000188892_100000210623 [0,2,0,0,0,0|1,0,0]=3 6263 B12R1.385 C=CCNc1ccc(c(c1)Cl)C 34a_100000188892_100015514636 [0,2,0,0,0,0|1,0,0]=3 6264 B12R1.385 C=CCNc1ccc(c(c1)Cl)C 7a_100000188892_100015514636 [0,2,0,0,0,0|1,0,0]=3 6265 B12R1.385 C=CCNc1ccc(c(c1)Cl)Cl 2230a_100000184108_100000210623 [0,2,0,0,0,0|1,0,0]=3 6266 B12R1.385 C=CCNc1ccc(c(c1)Cl)Cl 34a_100000184108_100015514636 [0,2,0,0,0,0|1,0,0]=3 6267 B12R1.385 C=CCNc1ccc(c(c1)Cl)F 2230a_100000211060_100000210623 [0,2,0,0,0,0|1,0,0]=3 6268 B12R1.385 C=CCNc1ccc(c(c1)Cl)F 34a_100000211060_100015514636 [0,2,0,0,0,0|1,0,0]=3 6269 B12R1.385 C=CCNc1ccc(c(c1)Cl)F 7a_100000211060_100015514636 [0,2,0,0,0,0|1,0,0]=3 6270 B12R1.385 C=CCNc1ccc(c(c1)Cl)I 34a_100000761885_100015514636 [0,2,0,0,0,0|1,0,0]=3 6271 B12R1.385 C=CCNc1ccc(c(c1)Cl)O 34a_100000744943_100015514636 [0,2,0,0,0,0|1,0,0]=3 6272 B12R1.385 C=CCNc1ccc(c(c1)F)Br 2230a_100000759894_100000210623 [0,2,0,0,0,0|1,0,0]=3 6273 B12R1.385 C=CCNc1ccc(c(c1)F)Br 34a_100000759894_100015514636 [0,2,0,0,0,0|1,0,0]=3 6274 B12R1.385 C=CCNc1ccc(c(c1)F)Br 7a_100000759894_100015514636 [0,2,0,0,0,0|1,0,0]=3 6275 B12R1.385 C=CCNc1ccc(c(c1)F)C 2230a_100000210958_100000210623 [0,2,0,0,0,0|1,0,0]=3 6276 B12R1.385 C=CCNc1ccc(c(c1)F)C 34a_100000210958_100015514636 [0,2,0,0,0,0|1,0,0]=3 6277 B12R1.385 C=CCNc1ccc(c(c1)F)C 7a_100000210958_100015514636 [0,2,0,0,0,0|1,0,0]=3 6278 B12R1.385 C=CCNc1ccc(c(c1)F)Cl 2230a_100000739366_100000210623 [0,2,0,0,0,0|1,0,0]=3 6279 B12R1.385 C=CCNc1ccc(c(c1)F)Cl 34a_100000739366_100015514636 [0,2,0,0,0,0|1,0,0]=3 6280 B12R1.385 C=CCNc1ccc(c(c1)F)Cl 7a_100000739366_100015514636 [0,2,0,0,0,0|1,0,0]=3 6281 B12R1.385 C=CCNc1ccc(c(c1)F)F 2230a_100000210724_100000210623 [0,2,0,0,0,0|1,0,0]=3 6282 B12R1.385 C=CCNc1ccc(c(c1)F)F 34a_100000210724_100015514636 [0,2,0,0,0,0|1,0,0]=3 6283 B12R1.385 C=CCNc1ccc(c(c1)F)F 7a_100000210724_100015514636 [0,2,0,0,0,0|1,0,0]=3 6284 B12R1.385 C=CCNc1ccc(c(c1)F)I 34a_100011356925_100015514636 [0,2,0,0,0,0|1,0,0]=3 6285 B12R1.385 C=CCNc1ccc(c(c1)F)I 7a_100011356925_100015514636 [0,2,0,0,0,0|1,0,0]=3 6286 B12R1.385 C=CCNc1ccc(c(c1)F)O 34a_100011220035_100015514636 [0,2,0,0,0,0|1,0,0]=3 6287 B12R1.385 C=CCNc1ccc(c(c1)F)O 7a_100011220035_100015514636 [0,2,0,0,0,0|1,0,0]=3 6288 B12R1.385 C=CCNc1ccc(c(c1)I)Br 34a_100000750459_100015514636 [0,2,0,0,0,0|1,0,0]=3 6289 B12R1.385 C=CCNc1ccc(c(c1)I)C 34a_100000184131_100015514636 [0,2,0,0,0,0|1,0,0]=3 6290 B12R1.385 C=CCNc1ccc(c(c1)I)C 7a_100000184131_100015514636 [0,2,0,0,0,0|1,0,0]=3 6291 B12R1.385 C=CCNc1ccc(c(c1)I)Cl 34a_100012360549_100015514636 [0,2,0,0,0,0|1,0,0]=3 6292 B12R1.385 C=CCNc1ccc(c(c1)I)F 34a_114828291077_100015514636 [0,2,0,0,0,0|1,0,0]=3 6293 B12R1.385 C=CCNc1ccc(c(c1)I)F 7a_114828291077_100015514636 [0,2,0,0,0,0|1,0,0]=3 6294 B12R1.385 C=CCNc1ccc(c(c1)O)C 34a_100000759471_100015514636 [0,2,0,0,0,0|1,0,0]=3 6295 B12R1.385 C=CCNc1ccc(c(c1)O)C 7a_100000759471_100015514636 [0,2,0,0,0,0|1,0,0]=3 6296 B12R1.385 C=CCNc1ccc(c(c1)O)Cl 34a_100011934209_100015514636 [0,2,0,0,0,0|1,0,0]=3 6297 B12R1.385 C=CCNc1ccc(c(c1)O)F 34a_100012017398_100015514636 [0,2,0,0,0,0|1,0,0]=3 6298 B12R1.385 C=CCNc1ccc(c(c1)O)F 7a_100012017398_100015514636 [0,2,0,0,0,0|1,0,0]=3 6299 B12R1.385 C=CCNc1ccc(c(c1)O)O 34a_100102946323_100015514636 [0,2,0,0,0,0|1,0,0]=3 6300 B12R1.385 C=CCNc1ccc(c(n1)F)Br 27a_100020586998_100010134343 [0,2,0,0,0,0|2,0,0]=4 6301 B12R1.385 C=CCNc1ccn(c(=O)c1)C 27a_100020586998_100009820031 [0,2,0,0,0,0|2,0,0]=4 6302 B12R1.385 C=CCOc1cc(c(cn1)Br)C 34a_100000766222_100015514636 [0,2,0,0,0,0|1,0,0]=3 6303 B12R1.385 C=CCOc1cc(c(cn1)Br)Cl 34a_100010369989_100015514636 [0,2,0,0,0,0|1,0,0]=3 6304 B12R1.385 C=CCOc1cc(c(cn1)C)Br 34a_100009831917_100015514636 [0,2,0,0,0,0|1,0,0]=3 6305 B12R1.385 C=CCOc1cc(c(cn1)Cl)C 34a_200000085746_100015514636 [0,2,0,0,0,0|1,0,0]=3 6306 B12R1.385 C=CCOc1cc(c(cn1)Cl)Cl 34a_200000099200_100015514636 [0,2,0,0,0,0|1,0,0]=3 6307 B12R1.385 C=CCOc1ccc(c(c1)Br)C 34a_100011380479_100015514636 [0,2,0,0,0,0|0,0,0]=2 6308 B12R1.385 C=CCOc1ccc(c(c1)Br)C 7a_100011380479_100015514636 [0,2,0,0,0,0|0,0,0]=2 6309 B12R1.385 C=CCOc1ccc(c(c1)Br)Cl 34a_100011933957_100015514636 [0,2,0,0,0,0|0,0,0]=2 6310 B12R1.385 C=CCOc1ccc(c(c1)Br)Cl 7a_100011933957_100015514636 [0,2,0,0,0,0|0,0,0]=2 6311 B12R1.385 C=CCOc1ccc(c(c1)Br)F 34a_100000693481_100015514636 [0,2,0,0,0,0|0,0,0]=2 6312 B12R1.385 C=CCOc1ccc(c(c1)Br)F 7a_100000693481_100015514636 [0,2,0,0,0,0|0,0,0]=2 6313 B12R1.385 C=CCOc1ccc(c(c1)Br)I 34a_100000701344_100015514636 [0,2,0,0,0,0|0,0,0]=2 6314 B12R1.385 C=CCOc1ccc(c(c1)Br)I 7a_100000701344_100015514636 [0,2,0,0,0,0|0,0,0]=2 6315 B12R1.385 C=CCOc1ccc(c(c1)Br)N 34a_100012001276_100015514636 [0,2,0,0,0,0|0,0,0]=2 6316 B12R1.385 C=CCOc1ccc(c(c1)Br)N 7a_100012001276_100015514636 [0,2,0,0,0,0|0,0,0]=2 6317 B12R1.385 C=CCOc1ccc(c(c1)C)Br 34a_100000690111_100015514636 [0,2,0,0,0,0|0,0,0]=2 6318 B12R1.385 C=CCOc1ccc(c(c1)C)Br 7a_100000690111_100015514636 [0,2,0,0,0,0|0,0,0]=2 6319 B12R1.385 C=CCOc1ccc(c(c1)C)C 34a_100000210932_100015514636 [0,2,0,0,0,0|0,0,0]=2 6320 B12R1.385 C=CCOc1ccc(c(c1)C)C 7a_100000210932_100015514636 [0,2,0,0,0,0|0,0,0]=2 6321 B12R1.385 C=CCOc1ccc(c(c1)C)Cl 34a_100000211092_100015514636 [0,2,0,0,0,0|0,0,0]=2 6322 B12R1.385 C=CCOc1ccc(c(c1)C)Cl 7a_100000211092_100015514636 [0,2,0,0,0,0|0,0,0]=2 6323 B12R1.385 C=CCOc1ccc(c(c1)C)F 34a_100000751312_100015514636 [0,2,0,0,0,0|0,0,0]=2 6324 B12R1.385 C=CCOc1ccc(c(c1)C)F 7a_100000751312_100015514636 [0,2,0,0,0,0|0,0,0]=2 6325 B12R1.385 C=CCOc1ccc(c(c1)C)I 34a_100000729255_100015514636 [0,2,0,0,0,0|0,0,0]=2 6326 B12R1.385 C=CCOc1ccc(c(c1)C)I 7a_100000729255_100015514636 [0,2,0,0,0,0|0,0,0]=2 6327 B12R1.385 C=CCOc1ccc(c(c1)C)N 34a_100000756630_100015514636 [0,2,0,0,0,0|0,0,0]=2 6328 B12R1.385 C=CCOc1ccc(c(c1)C)N 7a_100000756630_100015514636 [0,2,0,0,0,0|0,0,0]=2 6329 B12R1.385 C=CCOc1ccc(c(c1)Cl)Br 34a_100011215161_100015514636 [0,2,0,0,0,0|0,0,0]=2 6330 B12R1.385 C=CCOc1ccc(c(c1)Cl)Br 7a_100011215161_100015514636 [0,2,0,0,0,0|0,0,0]=2 6331 B12R1.385 C=CCOc1ccc(c(c1)Cl)C 34a_100011265682_100015514636 [0,2,0,0,0,0|0,0,0]=2 6332 B12R1.385 C=CCOc1ccc(c(c1)Cl)C 7a_100011265682_100015514636 [0,2,0,0,0,0|0,0,0]=2 6333 B12R1.385 C=CCOc1ccc(c(c1)Cl)Cl 34a_100000211054_100015514636 [0,2,0,0,0,0|0,0,0]=2 6334 B12R1.385 C=CCOc1ccc(c(c1)Cl)Cl 7a_100000211054_100015514636 [0,2,0,0,0,0|0,0,0]=2 6335 B12R1.385 C=CCOc1ccc(c(c1)Cl)F 34a_100000211030_100015514636 [0,2,0,0,0,0|0,0,0]=2 6336 B12R1.385 C=CCOc1ccc(c(c1)Cl)F 7a_100000211030_100015514636 [0,2,0,0,0,0|0,0,0]=2 6337 B12R1.385 C=CCOc1ccc(c(c1)Cl)I 34a_100000047559_100015514636 [0,2,0,0,0,0|0,0,0]=2 6338 B12R1.385 C=CCOc1ccc(c(c1)Cl)I 7a_100000047559_100015514636 [0,2,0,0,0,0|0,0,0]=2 6339 B12R1.385 C=CCOc1ccc(c(c1)Cl)N 34a_100011215599_100015514636 [0,2,0,0,0,0|0,0,0]=2 6340 B12R1.385 C=CCOc1ccc(c(c1)Cl)N 7a_100011215599_100015514636 [0,2,0,0,0,0|0,0,0]=2 6341 B12R1.385 C=CCOc1ccc(c(c1)F)Br 34a_100000755031_100015514636 [0,2,0,0,0,0|0,0,0]=2 6342 B12R1.385 C=CCOc1ccc(c(c1)F)Br 7a_100000755031_100015514636 [0,2,0,0,0,0|0,0,0]=2 6343 B12R1.385 C=CCOc1ccc(c(c1)F)C 34a_100000722560_100015514636 [0,2,0,0,0,0|0,0,0]=2 6344 B12R1.385 C=CCOc1ccc(c(c1)F)C 7a_100000722560_100015514636 [0,2,0,0,0,0|0,0,0]=2 6345 B12R1.385 C=CCOc1ccc(c(c1)F)Cl 34a_100000691581_100015514636 [0,2,0,0,0,0|0,0,0]=2 6346 B12R1.385 C=CCOc1ccc(c(c1)F)Cl 7a_100000691581_100015514636 [0,2,0,0,0,0|0,0,0]=2 6347 B12R1.385 C=CCOc1ccc(c(c1)F)F 34a_100000181275_100015514636 [0,2,0,0,0,0|0,0,0]=2 6348 B12R1.385 C=CCOc1ccc(c(c1)F)F 7a_100000181275_100015514636 [0,2,0,0,0,0|0,0,0]=2 6349 B12R1.385 C=CCOc1ccc(c(c1)F)I 34a_100009990212_100015514636 [0,2,0,0,0,0|0,0,0]=2 6350 B12R1.385 C=CCOc1ccc(c(c1)F)I 7a_100009990212_100015514636 [0,2,0,0,0,0|0,0,0]=2 6351 B12R1.385 C=CCOc1ccc(c(c1)F)N 34a_100000759473_100015514636 [0,2,0,0,0,0|0,0,0]=2 6352 B12R1.385 C=CCOc1ccc(c(c1)F)N 7a_100000759473_100015514636 [0,2,0,0,0,0|0,0,0]=2 6353 B12R1.385 C=CCOc1ccc(c(c1)I)Br 34a_100012339312_100015514636 [0,2,0,0,0,0|0,0,0]=2 6354 B12R1.385 C=CCOc1ccc(c(c1)I)Br 7a_100012339312_100015514636 [0,2,0,0,0,0|0,0,0]=2 6355 B12R1.385 C=CCOc1ccc(c(c1)I)Cl 34a_100000049588_100015514636 [0,2,0,0,0,0|0,0,0]=2 6356 B12R1.385 C=CCOc1ccc(c(c1)I)Cl 7a_100000049588_100015514636 [0,2,0,0,0,0|0,0,0]=2 6357 B12R1.385 C=CCOc1ccc(c(c1)I)N 34a_100010084370_100015514636 [0,2,0,0,0,0|0,0,0]=2 6358 B12R1.385 C=CCOc1ccc(c(c1)I)N 7a_100010084370_100015514636 [0,2,0,0,0,0|0,0,0]=2 6359 B12R1.385 C=CCOc1ccc(c(c1)N)Br 34a_100011999798_100015514636 [0,2,0,0,0,0|0,0,0]=2 6360 B12R1.385 C=CCOc1ccc(c(c1)N)Br 7a_100011999798_100015514636 [0,2,0,0,0,0|0,0,0]=2 6361 B12R1.385 C=CCOc1ccc(c(c1)N)C 34a_100011216113_100015514636 [0,2,0,0,0,0|0,0,0]=2 6362 B12R1.385 C=CCOc1ccc(c(c1)N)C 7a_100011216113_100015514636 [0,2,0,0,0,0|0,0,0]=2 6363 B12R1.385 C=CCOc1ccc(c(c1)N)Cl 34a_100011934297_100015514636 [0,2,0,0,0,0|0,0,0]=2 6364 B12R1.385 C=CCOc1ccc(c(c1)N)F 34a_100012017239_100015514636 [0,2,0,0,0,0|0,0,0]=2 6365 B12R1.385 C=CCOc1ccc(c(c1)N)F 7a_100012017239_100015514636 [0,2,0,0,0,0|0,0,0]=2 6366 B12R1.385 C=CCOc1ccc(c(c1)N)N 34a_100025771000_100015514636 [0,2,0,0,0,0|0,0,0]=2 6367 B12R1.385 C=CCOc1ccc(c(n1)C)Br 34a_100000691680_100015514636 [0,2,0,0,0,0|1,0,0]=3 6368 B12R1.385 C=CCOc1ccc(c(n1)C)Cl 34a_200009863735_100015514636 [0,2,0,0,0,0|1,0,0]=3 6369 B12R1.385 C=CCOc1ccc(c(n1)F)Br 34a_100009879308_100015514636 [0,2,0,0,0,0|1,0,0]=3 6370 B12R1.385 C=CCOc1cnc(c(c1)Br)C 34a_100009819603_100015514636 [0,2,0,0,0,0|1,0,0]=3 6371 B12R1.385 C=CCOc1cnc(c(c1)Br)C 7a_100009819603_100015514636 [0,2,0,0,0,0|1,0,0]=3 6372 B12R1.385 C=CCOc1cnc(c(c1)Br)Cl 34a_100012356455_100015514636 [0,2,0,0,0,0|1,0,0]=3 6373 B12R1.385 C=CCOc1cnc(c(c1)Br)Cl 7a_100012356455_100015514636 [0,2,0,0,0,0|1,0,0]=3 6374 B12R1.385 C=CCOc1cnc(c(c1)Br)F 34a_100009817267_100015514636 [0,2,0,0,0,0|1,0,0]=3 6375 B12R1.385 C=CCOc1cnc(c(c1)Br)F 7a_100009817267_100015514636 [0,2,0,0,0,0|1,0,0]=3 6376 B12R1.385 C=CCOc1cnc(c(c1)C)Br 34a_100012000486_100015514636 [0,2,0,0,0,0|1,0,0]=3 6377 B12R1.385 C=CCOc1cnc(c(c1)C)Br 7a_100012000486_100015514636 [0,2,0,0,0,0|1,0,0]=3 6378 B12R1.385 C=CCOc1cnc(c(c1)C)C 34a_100009854398_100015514636 [0,2,0,0,0,0|1,0,0]=3 6379 B12R1.385 C=CCOc1cnc(c(c1)C)C 7a_100009854398_100015514636 [0,2,0,0,0,0|1,0,0]=3 6380 B12R1.385 C=CCOc1cnc(c(c1)C)Cl 34a_100012002680_100015514636 [0,2,0,0,0,0|1,0,0]=3 6381 B12R1.385 C=CCOc1cnc(c(c1)C)Cl 7a_100012002680_100015514636 [0,2,0,0,0,0|1,0,0]=3 6382 B12R1.385 C=CCOc1cnc(c(c1)C)F 34a_100000094615_100015514636 [0,2,0,0,0,0|1,0,0]=3 6383 B12R1.385 C=CCOc1cnc(c(c1)C)F 7a_100000094615_100015514636 [0,2,0,0,0,0|1,0,0]=3 6384 B12R1.385 C=CCOc1cnc(c(c1)Cl)Br 34a_100010209684_100015514636 [0,2,0,0,0,0|1,0,0]=3 6385 B12R1.385 C=CCOc1cnc(c(c1)Cl)Br 7a_100010209684_100015514636 [0,2,0,0,0,0|1,0,0]=3 6386 B12R1.385 C=CCOc1cnc(c(c1)Cl)Cl 34a_100000094354_100015514636 [0,2,0,0,0,0|1,0,0]=3 6387 B12R1.385 C=CCOc1cnc(c(c1)Cl)Cl 7a_100000094354_100015514636 [0,2,0,0,0,0|1,0,0]=3 6388 B12R1.385 C=CCOc1cnc(c(c1)Cl)F 34a_100000087088_100015514636 [0,2,0,0,0,0|1,0,0]=3 6389 B12R1.385 C=CCOc1cnc(c(c1)Cl)F 7a_100000087088_100015514636 [0,2,0,0,0,0|1,0,0]=3 6390 B12R1.385 C=CCOc1cnc(c(c1)F)Cl 34a_100000063512_100015514636 [0,2,0,0,0,0|1,0,0]=3 6391 B12R1.385 C=CCOc1cnc(c(c1)F)Cl 7a_100000063512_100015514636 [0,2,0,0,0,0|1,0,0]=3 6392 B12R1.385 C=CCOc1cnc(c(n1)C)C 34a_200000700380_100015514636 [0,2,0,0,0,0|2,0,0]=4 6393 B12R1.385 C=CCOc1cnc(c(n1)Cl)Br 34a_100010080449_100015514636 [0,2,0,0,0,0|2,0,0]=4 6394 B12R1.385 C=CCSc1c[nH]c(=O)c(c1)Br 62a_100000210623_100010125443 [0,2,0,0,0,0|1,1,0]=4 6395 B12R1.385 C=CCSc1c[nH]c(=O)c(c1)Br 62a_100010125443_100000210623 [0,2,0,0,0,0|1,1,0]=4 6396 B12R1.385 C=CCSc1c[nH]c(=O)c(c1)F 62a_100000210623_100000723523 [0,2,0,0,0,0|1,1,0]=4 6397 B12R1.385 C=CCSc1c[nH]c(=O)c(c1)F 62a_100000723523_100000210623 [0,2,0,0,0,0|1,1,0]=4 6398 B12R1.385 C=CCSc1c[nH]c(=O)c(c1)O 62a_100000210623_100009814561 [0,2,0,0,0,0|1,1,0]=4 6399 B12R1.385 C=CCSc1cc(c(cn1)Br)C 62a_100000210623_100012356354 [0,2,0,0,0,0|1,1,0]=4 6400 B12R1.385 C=CCSc1cc(c(cn1)Br)C 62a_100012356354_100000210623 [0,2,0,0,0,0|1,1,0]=4 6401 B12R1.385 C=CCSc1cc(c(cn1)C)C 62a_100000210623_100009850809 [0,2,0,0,0,0|1,1,0]=4 6402 B12R1.385 C=CCSc1cc(c(cn1)C)C 62a_100009850809_100000210623 [0,2,0,0,0,0|1,1,0]=4 6403 B12R1.385 C=CCSc1cc(c(cn1)C)F 62a_100000210623_100009841206 [0,2,0,0,0,0|1,1,0]=4 6404 B12R1.385 C=CCSc1cc(c(cn1)C)F 62a_100009841206_100000210623 [0,2,0,0,0,0|1,1,0]=4 6405 B12R1.385 C=CCSc1cc(c(cn1)C)N 62a_100000126663_100000210623 [0,2,0,0,0,0|1,1,0]=4 6406 B12R1.385 C=CCSc1cc(c(cn1)C)N 62a_100000210623_100000126663 [0,2,0,0,0,0|1,1,0]=4 6407 B12R1.385 C=CCSc1cc(c(cn1)C)O 62a_100000210623_100000704368 [0,2,0,0,0,0|1,1,0]=4 6408 B12R1.385 C=CCSc1cc(c(cn1)C)O 62a_100000704368_100000210623 [0,2,0,0,0,0|1,1,0]=4 6409 B12R1.385 C=CCSc1cc(c(cn1)F)C 62a_100000210623_100009818257 [0,2,0,0,0,0|1,1,0]=4 6410 B12R1.385 C=CCSc1cc(c(cn1)F)C 62a_100009818257_100000210623 [0,2,0,0,0,0|1,1,0]=4 6411 B12R1.385 C=CCSc1cc(c(cn1)F)N 62a_100000126464_100000210623 [0,2,0,0,0,0|1,1,0]=4 6412 B12R1.385 C=CCSc1cc(c(cn1)F)N 62a_100000210623_100000126464 [0,2,0,0,0,0|1,1,0]=4 6413 B12R1.385 C=CCSc1cc(c(cn1)F)O 62a_100000210623_100009854642 [0,2,0,0,0,0|1,1,0]=4 6414 B12R1.385 C=CCSc1cc(c(cn1)F)O 62a_100009854642_100000210623 [0,2,0,0,0,0|1,1,0]=4 6415 B12R1.385 C=CCSc1cc(c(cn1)N)C 62a_100000067204_100000210623 [0,2,0,0,0,0|1,1,0]=4 6416 B12R1.385 C=CCSc1cc(c(cn1)N)C 62a_100000210623_100000067204 [0,2,0,0,0,0|1,1,0]=4 6417 B12R1.385 C=CCSc1cc(c(cn1)N)N 62a_100000067514_100000210623 [0,2,0,0,0,0|1,1,0]=4 6418 B12R1.385 C=CCSc1cc(c(cn1)N)N 62a_100000210623_100000067514 [0,2,0,0,0,0|1,1,0]=4 6419 B12R1.385 C=CCSc1cc(c(cn1)O)C 62a_100000210623_100000692680 [0,2,0,0,0,0|1,1,0]=4 6420 B12R1.385 C=CCSc1cc(c(cn1)O)N 62a_100000210623_100009819941 [0,2,0,0,0,0|1,1,0]=4 6421 B12R1.385 C=CCSc1cc(c(cn1)O)N 62a_100009819941_100000210623 [0,2,0,0,0,0|1,1,0]=4 6422 B12R1.385 C=CCSc1ccc(=O)n(c1)C 62a_100000210623_100011245003 [0,2,0,0,0,0|1,1,0]=4 6423 B12R1.385 C=CCSc1ccc(=O)n(c1)C 62a_100011245003_100000210623 [0,2,0,0,0,0|1,1,0]=4 6424 B12R1.385 C=CCSc1ccc([n+](c1)[O-])C 62a_100000210623_100000703231 [0,2,0,0,0,0|1,1,0]=4 6425 B12R1.385 C=CCSc1ccc(c(c1)Br)Br 62a_100000210623_100012356285 [0,2,0,0,0,0|0,1,0]=3 6426 B12R1.385 C=CCSc1ccc(c(c1)Br)Br 62a_100012356285_100000210623 [0,2,0,0,0,0|0,1,0]=3 6427 B12R1.385 C=CCSc1ccc(c(c1)Br)C 62a_100000210623_100011847877 [0,2,0,0,0,0|0,1,0]=3 6428 B12R1.385 C=CCSc1ccc(c(c1)Br)C 62a_100011847877_100000210623 [0,2,0,0,0,0|0,1,0]=3 6429 B12R1.385 C=CCSc1ccc(c(c1)Br)Cl 62a_100000210623_100012353702 [0,2,0,0,0,0|0,1,0]=3 6430 B12R1.385 C=CCSc1ccc(c(c1)Br)Cl 62a_100012353702_100000210623 [0,2,0,0,0,0|0,1,0]=3 6431 B12R1.385 C=CCSc1ccc(c(c1)Br)F 62a_100000210623_100012047266 [0,2,0,0,0,0|0,1,0]=3 6432 B12R1.385 C=CCSc1ccc(c(c1)Br)F 62a_100012047266_100000210623 [0,2,0,0,0,0|0,1,0]=3 6433 B12R1.385 C=CCSc1ccc(c(c1)Br)N 62a_100000210623_100000750455 [0,2,0,0,0,0|0,1,0]=3 6434 B12R1.385 C=CCSc1ccc(c(c1)Br)N 62a_100000750455_100000210623 [0,2,0,0,0,0|0,1,0]=3 6435 B12R1.385 C=CCSc1ccc(c(c1)Br)O 62a_100000210623_100012361655 [0,2,0,0,0,0|0,1,0]=3 6436 B12R1.385 C=CCSc1ccc(c(c1)Br)O 62a_100012361655_100000210623 [0,2,0,0,0,0|0,1,0]=3 6437 B12R1.385 C=CCSc1ccc(c(c1)C)Br 62a_100000210623_100009813585 [0,2,0,0,0,0|0,1,0]=3 6438 B12R1.385 C=CCSc1ccc(c(c1)C)Br 62a_100009813585_100000210623 [0,2,0,0,0,0|0,1,0]=3 6439 B12R1.385 C=CCSc1ccc(c(c1)C)C 62a_100000210623_100011215607 [0,2,0,0,0,0|0,1,0]=3 6440 B12R1.385 C=CCSc1ccc(c(c1)C)C 62a_100011215607_100000210623 [0,2,0,0,0,0|0,1,0]=3 6441 B12R1.385 C=CCSc1ccc(c(c1)C)Cl 62a_100000049509_100000210623 [0,2,0,0,0,0|0,1,0]=3 6442 B12R1.385 C=CCSc1ccc(c(c1)C)Cl 62a_100000210623_100000049509 [0,2,0,0,0,0|0,1,0]=3 6443 B12R1.385 C=CCSc1ccc(c(c1)C)F 62a_100000210623_100011218330 [0,2,0,0,0,0|0,1,0]=3 6444 B12R1.385 C=CCSc1ccc(c(c1)C)F 62a_100011218330_100000210623 [0,2,0,0,0,0|0,1,0]=3 6445 B12R1.385 C=CCSc1ccc(c(c1)C)N 62a_100000210623_100000211769 [0,2,0,0,0,0|0,1,0]=3 6446 B12R1.385 C=CCSc1ccc(c(c1)C)N 62a_100000211769_100000210623 [0,2,0,0,0,0|0,1,0]=3 6447 B12R1.385 C=CCSc1ccc(c(c1)C)O 62a_100000210623_100000186361 [0,2,0,0,0,0|0,1,0]=3 6448 B12R1.385 C=CCSc1ccc(c(c1)Cl)Br 62a_100000210623_100012047281 [0,2,0,0,0,0|0,1,0]=3 6449 B12R1.385 C=CCSc1ccc(c(c1)Cl)Br 62a_100012047281_100000210623 [0,2,0,0,0,0|0,1,0]=3 6450 B12R1.385 C=CCSc1ccc(c(c1)Cl)C 62a_100000210623_100011216363 [0,2,0,0,0,0|0,1,0]=3 6451 B12R1.385 C=CCSc1ccc(c(c1)Cl)C 62a_100011216363_100000210623 [0,2,0,0,0,0|0,1,0]=3 6452 B12R1.385 C=CCSc1ccc(c(c1)Cl)Cl 62a_100000210623_100011214914 [0,2,0,0,0,0|0,1,0]=3 6453 B12R1.385 C=CCSc1ccc(c(c1)Cl)Cl 62a_100011214914_100000210623 [0,2,0,0,0,0|0,1,0]=3 6454 B12R1.385 C=CCSc1ccc(c(c1)Cl)F 62a_100000210623_100011215976 [0,2,0,0,0,0|0,1,0]=3 6455 B12R1.385 C=CCSc1ccc(c(c1)Cl)F 62a_100011215976_100000210623 [0,2,0,0,0,0|0,1,0]=3 6456 B12R1.385 C=CCSc1ccc(c(c1)Cl)N 62a_100000210623_100011218065 [0,2,0,0,0,0|0,1,0]=3 6457 B12R1.385 C=CCSc1ccc(c(c1)Cl)N 62a_100011218065_100000210623 [0,2,0,0,0,0|0,1,0]=3 6458 B12R1.385 C=CCSc1ccc(c(c1)Cl)O 62a_100000210623_100012360047 [0,2,0,0,0,0|0,1,0]=3 6459 B12R1.385 C=CCSc1ccc(c(c1)Cl)O 62a_100012360047_100000210623 [0,2,0,0,0,0|0,1,0]=3 6460 B12R1.385 C=CCSc1ccc(c(c1)F)Br 62a_100000210623_100000685389 [0,2,0,0,0,0|0,1,0]=3 6461 B12R1.385 C=CCSc1ccc(c(c1)F)Br 62a_100000685389_100000210623 [0,2,0,0,0,0|0,1,0]=3 6462 B12R1.385 C=CCSc1ccc(c(c1)F)C 62a_100000210623_100000720648 [0,2,0,0,0,0|0,1,0]=3 6463 B12R1.385 C=CCSc1ccc(c(c1)F)C 62a_100000720648_100000210623 [0,2,0,0,0,0|0,1,0]=3 6464 B12R1.385 C=CCSc1ccc(c(c1)F)Cl 62a_100000210623_100011216805 [0,2,0,0,0,0|0,1,0]=3 6465 B12R1.385 C=CCSc1ccc(c(c1)F)Cl 62a_100011216805_100000210623 [0,2,0,0,0,0|0,1,0]=3 6466 B12R1.385 C=CCSc1ccc(c(c1)F)F 62a_100000210623_100000703953 [0,2,0,0,0,0|0,1,0]=3 6467 B12R1.385 C=CCSc1ccc(c(c1)F)F 62a_100000703953_100000210623 [0,2,0,0,0,0|0,1,0]=3 6468 B12R1.385 C=CCSc1ccc(c(c1)F)N 62a_100000210623_100011215594 [0,2,0,0,0,0|0,1,0]=3 6469 B12R1.385 C=CCSc1ccc(c(c1)F)N 62a_100011215594_100000210623 [0,2,0,0,0,0|0,1,0]=3 6470 B12R1.385 C=CCSc1ccc(c(c1)F)O 62a_100000185481_100000210623 [0,2,0,0,0,0|0,1,0]=3 6471 B12R1.385 C=CCSc1ccc(c(c1)F)O 62a_100000210623_100000185481 [0,2,0,0,0,0|0,1,0]=3 6472 B12R1.385 C=CCSc1ccc(c(c1)N)Br 62a_100000210623_100000750456 [0,2,0,0,0,0|0,1,0]=3 6473 B12R1.385 C=CCSc1ccc(c(c1)N)Br 62a_100000750456_100000210623 [0,2,0,0,0,0|0,1,0]=3 6474 B12R1.385 C=CCSc1ccc(c(c1)N)C 62a_100000210623_100000761890 [0,2,0,0,0,0|0,1,0]=3 6475 B12R1.385 C=CCSc1ccc(c(c1)N)C 62a_100000761890_100000210623 [0,2,0,0,0,0|0,1,0]=3 6476 B12R1.385 C=CCSc1ccc(c(c1)N)Cl 62a_100000210623_200000761891 [0,2,0,0,0,0|0,1,0]=3 6477 B12R1.385 C=CCSc1ccc(c(c1)N)Cl 62a_200000761891_100000210623 [0,2,0,0,0,0|0,1,0]=3 6478 B12R1.385 C=CCSc1ccc(c(c1)N)F 62a_100000210623_100000740924 [0,2,0,0,0,0|0,1,0]=3 6479 B12R1.385 C=CCSc1ccc(c(c1)N)F 62a_100000740924_100000210623 [0,2,0,0,0,0|0,1,0]=3 6480 B12R1.385 C=CCSc1ccc(c(c1)N)N 62a_100000210623_100011534411 [0,2,0,0,0,0|0,1,0]=3 6481 B12R1.385 C=CCSc1ccc(c(c1)N)N 62a_100000741789_100000210623 [0,2,0,0,0,0|0,1,0]=3 6482 B12R1.385 C=CCSc1ccc(c(c1)N)O 62a_100000210623_100000752626 [0,2,0,0,0,0|0,1,0]=3 6483 B12R1.385 C=CCSc1ccc(c(c1)N)O 62a_100000752626_100000210623 [0,2,0,0,0,0|0,1,0]=3 6484 B12R1.385 C=CCSc1ccc(c(c1)O)Br 62a_100000210623_100012356990 [0,2,0,0,0,0|0,1,0]=3 6485 B12R1.385 C=CCSc1ccc(c(c1)O)Br 62a_100012356990_100000210623 [0,2,0,0,0,0|0,1,0]=3 6486 B12R1.385 C=CCSc1ccc(c(c1)O)C 62a_100000210623_100000685420 [0,2,0,0,0,0|0,1,0]=3 6487 B12R1.385 C=CCSc1ccc(c(c1)O)C 62a_100000685420_100000210623 [0,2,0,0,0,0|0,1,0]=3 6488 B12R1.385 C=CCSc1ccc(c(c1)O)Cl 62a_100000210623_100011356854 [0,2,0,0,0,0|0,1,0]=3 6489 B12R1.385 C=CCSc1ccc(c(c1)O)Cl 62a_100011356854_100000210623 [0,2,0,0,0,0|0,1,0]=3 6490 B12R1.385 C=CCSc1ccc(c(c1)O)F 62a_100000210623_100000686035 [0,2,0,0,0,0|0,1,0]=3 6491 B12R1.385 C=CCSc1ccc(c(c1)O)F 62a_100000686035_100000210623 [0,2,0,0,0,0|0,1,0]=3 6492 B12R1.385 C=CCSc1ccc(c(c1)O)N 62a_100000210623_100000739049 [0,2,0,0,0,0|0,1,0]=3 6493 B12R1.385 C=CCSc1ccc(c(c1)O)N 62a_100000739049_100000210623 [0,2,0,0,0,0|0,1,0]=3 6494 B12R1.385 C=CCSc1ccc(c(c1)O)O 62a_100000210623_100009813601 [0,2,0,0,0,0|0,1,0]=3 6495 B12R1.385 C=CCSc1ccc(c(n1)Br)O 62a_100000210623_100000725334 [0,2,0,0,0,0|1,1,0]=4 6496 B12R1.385 C=CCSc1ccc(c(n1)Br)O 62a_100000725334_100000210623 [0,2,0,0,0,0|1,1,0]=4 6497 B12R1.385 C=CCSc1ccc(c(n1)C)Br 62a_100000210623_100012360386 [0,2,0,0,0,0|1,1,0]=4 6498 B12R1.385 C=CCSc1ccc(c(n1)C)Br 62a_100012360386_100000210623 [0,2,0,0,0,0|1,1,0]=4 6499 B12R1.385 C=CCSc1ccc(c(n1)C)C 62a_100000103781_100000210623 [0,2,0,0,0,0|1,1,0]=4 6500 B12R1.385 C=CCSc1ccc(c(n1)C)C 62a_100000210623_100000103781 [0,2,0,0,0,0|1,1,0]=4 6501 B12R1.385 C=CCSc1ccc(c(n1)C)F 62a_100000210623_100009814307 [0,2,0,0,0,0|1,1,0]=4 6502 B12R1.385 C=CCSc1ccc(c(n1)C)F 62a_100009814307_100000210623 [0,2,0,0,0,0|1,1,0]=4 6503 B12R1.385 C=CCSc1ccc(c(n1)C)N 62a_100000210623_100000720120 [0,2,0,0,0,0|1,1,0]=4 6504 B12R1.385 C=CCSc1ccc(c(n1)C)N 62a_100000720120_100000210623 [0,2,0,0,0,0|1,1,0]=4 6505 B12R1.385 C=CCSc1ccc(c(n1)C)O 62a_100000210623_100010233687 [0,2,0,0,0,0|1,1,0]=4 6506 B12R1.385 C=CCSc1ccc(c(n1)C)O 62a_100010233687_100000210623 [0,2,0,0,0,0|1,1,0]=4 6507 B12R1.385 C=CCSc1ccc(c(n1)Cl)N 62a_100000210623_200010233646 [0,2,0,0,0,0|1,1,0]=4 6508 B12R1.385 C=CCSc1ccc(c(n1)Cl)N 62a_200010233646_100000210623 [0,2,0,0,0,0|1,1,0]=4 6509 B12R1.385 C=CCSc1ccc(c(n1)Cl)O 62a_100000210623_100000721234 [0,2,0,0,0,0|1,1,0]=4 6510 B12R1.385 C=CCSc1ccc(c(n1)F)Br 62a_100000210623_100010134343 [0,2,0,0,0,0|1,1,0]=4 6511 B12R1.385 C=CCSc1ccc(c(n1)F)Br 62a_100010134343_100000210623 [0,2,0,0,0,0|1,1,0]=4 6512 B12R1.385 C=CCSc1ccc(c(n1)F)N 62a_100000210623_100009856439 [0,2,0,0,0,0|1,1,0]=4 6513 B12R1.385 C=CCSc1ccc(c(n1)F)N 62a_100009856439_100000210623 [0,2,0,0,0,0|1,1,0]=4 6514 B12R1.385 C=CCSc1ccc(c(n1)F)O 62a_100000210623_100009819667 [0,2,0,0,0,0|1,1,0]=4 6515 B12R1.385 C=CCSc1ccc(c(n1)F)O 62a_100009819667_100000210623 [0,2,0,0,0,0|1,1,0]=4 6516 B12R1.385 C=CCSc1ccc(c(n1)N)C 62a_100000210623_100009857032 [0,2,0,0,0,0|1,1,0]=4 6517 B12R1.385 C=CCSc1ccc(c(n1)N)C 62a_100009857032_100000210623 [0,2,0,0,0,0|1,1,0]=4 6518 B12R1.385 C=CCSc1ccc(c(n1)N)F 62a_100000210623_100016091773 [0,2,0,0,0,0|1,1,0]=4 6519 B12R1.385 C=CCSc1ccc(c(n1)N)F 62a_100016091773_100000210623 [0,2,0,0,0,0|1,1,0]=4 6520 B12R1.385 C=CCSc1ccc(c(n1)N)N 62a_100000747239_100000210623 [0,2,0,0,0,0|1,1,0]=4 6521 B12R1.385 C=CCSc1ccc(c(n1)N)O 62a_100000210623_100000685527 [0,2,0,0,0,0|1,1,0]=4 6522 B12R1.385 C=CCSc1ccc(c(n1)N)O 62a_100000685527_100000210623 [0,2,0,0,0,0|1,1,0]=4 6523 B12R1.385 C=CCSc1ccc(c(n1)O)F 62a_100000210623_100010729010 [0,2,0,0,0,0|1,1,0]=4 6524 B12R1.385 C=CCSc1ccc(c(n1)O)N 62a_100000718904_100000210623 [0,2,0,0,0,0|1,1,0]=4 6525 B12R1.385 C=CCSc1ccn(c(=O)c1)C 62a_100000210623_100009820031 [0,2,0,0,0,0|1,1,0]=4 6526 B12R1.385 C=CCSc1ccn(c(=O)c1)C 62a_100009820031_100000210623 [0,2,0,0,0,0|1,1,0]=4 6527 B12R1.385 C=CCSc1cnc(c(c1)Br)Cl 62a_100000210623_100010172733 [0,2,0,0,0,0|1,1,0]=4 6528 B12R1.385 C=CCSc1cnc(c(c1)Br)Cl 62a_100010172733_100000210623 [0,2,0,0,0,0|1,1,0]=4 6529 B12R1.385 C=CCSc1cnc(c(c1)Br)N 62a_100000210623_100012353989 [0,2,0,0,0,0|1,1,0]=4 6530 B12R1.385 C=CCSc1cnc(c(c1)Br)N 62a_100012353989_100000210623 [0,2,0,0,0,0|1,1,0]=4 6531 B12R1.385 C=CCSc1cnc(c(c1)C)Br 62a_100000210623_100009816107 [0,2,0,0,0,0|1,1,0]=4 6532 B12R1.385 C=CCSc1cnc(c(c1)C)Br 62a_100009816107_100000210623 [0,2,0,0,0,0|1,1,0]=4 6533 B12R1.385 C=CCSc1cnc(c(c1)C)C 62a_100000210623_100000697892 [0,2,0,0,0,0|1,1,0]=4 6534 B12R1.385 C=CCSc1cnc(c(c1)C)C 62a_100000697892_100000210623 [0,2,0,0,0,0|1,1,0]=4 6535 B12R1.385 C=CCSc1cnc(c(c1)C)Cl 62a_100000210623_100009922867 [0,2,0,0,0,0|1,1,0]=4 6536 B12R1.385 C=CCSc1cnc(c(c1)C)Cl 62a_100009922867_100000210623 [0,2,0,0,0,0|1,1,0]=4 6537 B12R1.385 C=CCSc1cnc(c(c1)C)F 62a_100000210623_100000709442 [0,2,0,0,0,0|1,1,0]=4 6538 B12R1.385 C=CCSc1cnc(c(c1)C)F 62a_100000709442_100000210623 [0,2,0,0,0,0|1,1,0]=4 6539 B12R1.385 C=CCSc1cnc(c(c1)C)N 62a_100000210623_100000684428 [0,2,0,0,0,0|1,1,0]=4 6540 B12R1.385 C=CCSc1cnc(c(c1)C)N 62a_100000684428_100000210623 [0,2,0,0,0,0|1,1,0]=4 6541 B12R1.385 C=CCSc1cnc(c(c1)C)O 62a_100000210623_100000685391 [0,2,0,0,0,0|1,1,0]=4 6542 B12R1.385 C=CCSc1cnc(c(c1)C)O 62a_100000685391_100000210623 [0,2,0,0,0,0|1,1,0]=4 6543 B12R1.385 C=CCSc1cnc(c(c1)Cl)N 62a_100000210623_100012356299 [0,2,0,0,0,0|1,1,0]=4 6544 B12R1.385 C=CCSc1cnc(c(c1)Cl)N 62a_100012356299_100000210623 [0,2,0,0,0,0|1,1,0]=4 6545 B12R1.385 C=CCSc1cnc(c(c1)Cl)O 62a_100000210623_100010238531 [0,2,0,0,0,0|1,1,0]=4 6546 B12R1.385 C=CCSc1cnc(c(c1)Cl)O 62a_100010238531_100000210623 [0,2,0,0,0,0|1,1,0]=4 6547 B12R1.385 C=CCSc1cnc(c(c1)F)C 62a_100000210623_100009845756 [0,2,0,0,0,0|1,1,0]=4 6548 B12R1.385 C=CCSc1cnc(c(c1)F)C 62a_100009845756_100000210623 [0,2,0,0,0,0|1,1,0]=4 6549 B12R1.385 C=CCSc1cnc(c(c1)F)F 62a_100000210623_100009817721 [0,2,0,0,0,0|1,1,0]=4 6550 B12R1.385 C=CCSc1cnc(c(c1)F)F 62a_100009817721_100000210623 [0,2,0,0,0,0|1,1,0]=4 6551 B12R1.385 C=CCSc1cnc(c(c1)F)N 62a_100000210623_100000693161 [0,2,0,0,0,0|1,1,0]=4 6552 B12R1.385 C=CCSc1cnc(c(c1)F)N 62a_100000693161_100000210623 [0,2,0,0,0,0|1,1,0]=4 6553 B12R1.385 C=CCSc1cnc(c(c1)N)C 62a_100000210623_100011999542 [0,2,0,0,0,0|1,1,0]=4 6554 B12R1.385 C=CCSc1cnc(c(c1)N)C 62a_100011999542_100000210623 [0,2,0,0,0,0|1,1,0]=4 6555 B12R1.385 C=CCSc1cnc(c(c1)N)Cl 62a_100000210623_100009828400 [0,2,0,0,0,0|1,1,0]=4 6556 B12R1.385 C=CCSc1cnc(c(c1)N)Cl 62a_100009828400_100000210623 [0,2,0,0,0,0|1,1,0]=4 6557 B12R1.385 C=CCSc1cnc(c(c1)N)F 62a_100000210623_100009816798 [0,2,0,0,0,0|1,1,0]=4 6558 B12R1.385 C=CCSc1cnc(c(c1)N)F 62a_100009816798_100000210623 [0,2,0,0,0,0|1,1,0]=4 6559 B12R1.385 C=CCSc1cnc(c(c1)N)N 62a_100000184470_100000210623 [0,2,0,0,0,0|1,1,0]=4 6560 B12R1.385 C=CCSc1cnc(c(c1)N)N 62a_100000210623_100000184470 [0,2,0,0,0,0|1,1,0]=4 6561 B12R1.385 C=CCSc1cnc(c(c1)N)O 62a_100000210623_100000743729 [0,2,0,0,0,0|1,1,0]=4 6562 B12R1.385 C=CCSc1cnc(c(c1)N)O 62a_100000743729_100000210623 [0,2,0,0,0,0|1,1,0]=4 6563 B12R1.385 C=CCSc1cnc(c(c1)O)C 62a_100000210623_100009864810 [0,2,0,0,0,0|1,1,0]=4 6564 B12R1.385 C=CCSc1cnc(c(c1)O)C 62a_100009864810_100000210623 [0,2,0,0,0,0|1,1,0]=4 6565 B12R1.385 C=CCSc1cnc(c(c1)O)F 62a_100000210623_100009819871 [0,2,0,0,0,0|1,1,0]=4 6566 B12R1.385 C=CCSc1cnc(c(c1)O)F 62a_100009819871_100000210623 [0,2,0,0,0,0|1,1,0]=4 6567 B12R1.385 C=CCSc1cnc(c(c1)O)N 62a_100000210623_100009819042 [0,2,0,0,0,0|1,1,0]=4 6568 B12R1.385 C=CCSc1cnc(c(c1)O)N 62a_100009819042_100000210623 [0,2,0,0,0,0|1,1,0]=4 6569 B12R1.385 CCCOc1ccc(c(c1)Br)C 34a_100011380479_100000210303 [0,2,0,0,0,0|0,0,2]=4 6570 B12R1.385 CCCOc1ccc(c(c1)Br)C 7a_100011380479_100000210303 [0,2,0,0,0,0|0,0,2]=4 6571 B12R1.385 CCCOc1ccc(c(c1)Br)Cl 34a_100011933957_100000210303 [0,2,0,0,0,0|0,0,2]=4 6572 B12R1.385 CCCOc1ccc(c(c1)Br)Cl 7a_100011933957_100000210303 [0,2,0,0,0,0|0,0,2]=4 6573 B12R1.385 CCCOc1ccc(c(c1)Br)F 34a_100000693481_100000210303 [0,2,0,0,0,0|0,0,2]=4 6574 B12R1.385 CCCOc1ccc(c(c1)Br)F 7a_100000693481_100000210303 [0,2,0,0,0,0|0,0,2]=4 6575 B12R1.385 CCCOc1ccc(c(c1)Br)I 34a_100000701344_100000210303 [0,2,0,0,0,0|0,0,2]=4 6576 B12R1.385 CCCOc1ccc(c(c1)Br)I 7a_100000701344_100000210303 [0,2,0,0,0,0|0,0,2]=4 6577 B12R1.385 CCCOc1ccc(c(c1)Br)N 34a_100012001276_100000210303 [0,2,0,0,0,0|0,0,2]=4 6578 B12R1.385 CCCOc1ccc(c(c1)Br)N 7a_100012001276_100000210303 [0,2,0,0,0,0|0,0,2]=4 6579 B12R1.385 CCCOc1ccc(c(c1)C)Br 34a_100000690111_100000210303 [0,2,0,0,0,0|0,0,2]=4 6580 B12R1.385 CCCOc1ccc(c(c1)C)Br 7a_100000690111_100000210303 [0,2,0,0,0,0|0,0,2]=4 6581 B12R1.385 CCCOc1ccc(c(c1)C)C 34a_100000210932_100000210303 [0,2,0,0,0,0|0,0,2]=4 6582 B12R1.385 CCCOc1ccc(c(c1)C)C 7a_100000210932_100000210303 [0,2,0,0,0,0|0,0,2]=4 6583 B12R1.385 CCCOc1ccc(c(c1)C)Cl 34a_100000211092_100000210303 [0,2,0,0,0,0|0,0,2]=4 6584 B12R1.385 CCCOc1ccc(c(c1)C)Cl 7a_100000211092_100000210303 [0,2,0,0,0,0|0,0,2]=4 6585 B12R1.385 CCCOc1ccc(c(c1)C)F 34a_100000751312_100000210303 [0,2,0,0,0,0|0,0,2]=4 6586 B12R1.385 CCCOc1ccc(c(c1)C)F 7a_100000751312_100000210303 [0,2,0,0,0,0|0,0,2]=4 6587 B12R1.385 CCCOc1ccc(c(c1)C)I 34a_100000729255_100000210303 [0,2,0,0,0,0|0,0,2]=4 6588 B12R1.385 CCCOc1ccc(c(c1)C)I 7a_100000729255_100000210303 [0,2,0,0,0,0|0,0,2]=4 6589 B12R1.385 CCCOc1ccc(c(c1)C)N 34a_100000756630_100000210303 [0,2,0,0,0,0|0,0,2]=4 6590 B12R1.385 CCCOc1ccc(c(c1)C)N 7a_100000756630_100000210303 [0,2,0,0,0,0|0,0,2]=4 6591 B12R1.385 CCCOc1ccc(c(c1)C)O 271570a_203496583355_200012361509 [0,2,0,0,0,0|0,0,2]=4 6592 B12R1.385 CCCOc1ccc(c(c1)Cl)Br 34a_100011215161_100000210303 [0,2,0,0,0,0|0,0,2]=4 6593 B12R1.385 CCCOc1ccc(c(c1)Cl)Br 7a_100011215161_100000210303 [0,2,0,0,0,0|0,0,2]=4 6594 B12R1.385 CCCOc1ccc(c(c1)Cl)C 34a_100011265682_100000210303 [0,2,0,0,0,0|0,0,2]=4 6595 B12R1.385 CCCOc1ccc(c(c1)Cl)C 7a_100011265682_100000210303 [0,2,0,0,0,0|0,0,2]=4 6596 B12R1.385 CCCOc1ccc(c(c1)Cl)Cl 34a_100000211054_100000210303 [0,2,0,0,0,0|0,0,2]=4 6597 B12R1.385 CCCOc1ccc(c(c1)Cl)Cl 7a_100000211054_100000210303 [0,2,0,0,0,0|0,0,2]=4 6598 B12R1.385 CCCOc1ccc(c(c1)Cl)F 34a_100000211030_100000210303 [0,2,0,0,0,0|0,0,2]=4 6599 B12R1.385 CCCOc1ccc(c(c1)Cl)F 7a_100000211030_100000210303 [0,2,0,0,0,0|0,0,2]=4 6600 B12R1.385 CCCOc1ccc(c(c1)Cl)I 34a_100000047559_100000210303 [0,2,0,0,0,0|0,0,2]=4 6601 B12R1.385 CCCOc1ccc(c(c1)Cl)I 7a_100000047559_100000210303 [0,2,0,0,0,0|0,0,2]=4 6602 B12R1.385 CCCOc1ccc(c(c1)Cl)N 34a_100011215599_100000210303 [0,2,0,0,0,0|0,0,2]=4 6603 B12R1.385 CCCOc1ccc(c(c1)Cl)N 7a_100011215599_100000210303 [0,2,0,0,0,0|0,0,2]=4 6604 B12R1.385 CCCOc1ccc(c(c1)F)Br 34a_100000755031_100000210303 [0,2,0,0,0,0|0,0,2]=4 6605 B12R1.385 CCCOc1ccc(c(c1)F)Br 7a_100000755031_100000210303 [0,2,0,0,0,0|0,0,2]=4 6606 B12R1.385 CCCOc1ccc(c(c1)F)C 34a_100000722560_100000210303 [0,2,0,0,0,0|0,0,2]=4 6607 B12R1.385 CCCOc1ccc(c(c1)F)C 7a_100000722560_100000210303 [0,2,0,0,0,0|0,0,2]=4 6608 B12R1.385 CCCOc1ccc(c(c1)F)Cl 34a_100000691581_100000210303 [0,2,0,0,0,0|0,0,2]=4 6609 B12R1.385 CCCOc1ccc(c(c1)F)Cl 7a_100000691581_100000210303 [0,2,0,0,0,0|0,0,2]=4 6610 B12R1.385 CCCOc1ccc(c(c1)F)F 34a_100000181275_100000210303 [0,2,0,0,0,0|0,0,2]=4 6611 B12R1.385 CCCOc1ccc(c(c1)F)F 7a_100000181275_100000210303 [0,2,0,0,0,0|0,0,2]=4 6612 B12R1.385 CCCOc1ccc(c(c1)F)I 34a_100009990212_100000210303 [0,2,0,0,0,0|0,0,2]=4 6613 B12R1.385 CCCOc1ccc(c(c1)F)I 7a_100009990212_100000210303 [0,2,0,0,0,0|0,0,2]=4 6614 B12R1.385 CCCOc1ccc(c(c1)F)N 34a_100000759473_100000210303 [0,2,0,0,0,0|0,0,2]=4 6615 B12R1.385 CCCOc1ccc(c(c1)F)N 7a_100000759473_100000210303 [0,2,0,0,0,0|0,0,2]=4 6616 B12R1.385 CCCOc1ccc(c(c1)F)O 271570a_203496583355_200012236930 [0,2,0,0,0,0|0,0,2]=4 6617 B12R1.385 CCCOc1ccc(c(c1)I)Br 34a_100012339312_100000210303 [0,2,0,0,0,0|0,0,2]=4 6618 B12R1.385 CCCOc1ccc(c(c1)I)Br 7a_100012339312_100000210303 [0,2,0,0,0,0|0,0,2]=4 6619 B12R1.385 CCCOc1ccc(c(c1)I)Cl 34a_100000049588_100000210303 [0,2,0,0,0,0|0,0,2]=4 6620 B12R1.385 CCCOc1ccc(c(c1)I)Cl 7a_100000049588_100000210303 [0,2,0,0,0,0|0,0,2]=4 6621 B12R1.385 CCCOc1ccc(c(c1)I)N 34a_100010084370_100000210303 [0,2,0,0,0,0|0,0,2]=4 6622 B12R1.385 CCCOc1ccc(c(c1)I)N 7a_100010084370_100000210303 [0,2,0,0,0,0|0,0,2]=4 6623 B12R1.385 CCCOc1ccc(c(c1)N)Br 34a_100011999798_100000210303 [0,2,0,0,0,0|0,0,2]=4 6624 B12R1.385 CCCOc1ccc(c(c1)N)Br 7a_100011999798_100000210303 [0,2,0,0,0,0|0,0,2]=4 6625 B12R1.385 CCCOc1ccc(c(c1)N)C 34a_100011216113_100000210303 [0,2,0,0,0,0|0,0,2]=4 6626 B12R1.385 CCCOc1ccc(c(c1)N)C 7a_100011216113_100000210303 [0,2,0,0,0,0|0,0,2]=4 6627 B12R1.385 CCCOc1ccc(c(c1)N)Cl 34a_100011934297_100000210303 [0,2,0,0,0,0|0,0,2]=4 6628 B12R1.385 CCCOc1ccc(c(c1)N)F 34a_100012017239_100000210303 [0,2,0,0,0,0|0,0,2]=4 6629 B12R1.385 CCCOc1ccc(c(c1)N)F 7a_100012017239_100000210303 [0,2,0,0,0,0|0,0,2]=4 6630 B12R1.385 CCCOc1ccc(c(c1)N)N 34a_100025771000_100000210303 [0,2,0,0,0,0|0,0,2]=4 6631 B12R1.385 COCOc1ccc(c(c1)F)O 271570a_203496583355_100012265695 [0,2,0,0,0,0|1,0,1]=4 6632 B12R1.385 COCOc1ccc(c(c1)O)C 271570a_203496583355_200015918306 [0,2,0,0,0,0|1,0,1]=4 6633 B12R1.385 CSCOc1ccc(c(c1)Br)C 34a_100011380479_100011218213 [0,2,0,0,0,0|1,0,1]=4 6634 B12R1.385 CSCOc1ccc(c(c1)Br)Cl 34a_100011933957_100011218213 [0,2,0,0,0,0|1,0,1]=4 6635 B12R1.385 CSCOc1ccc(c(c1)Br)F 34a_100000693481_100011218213 [0,2,0,0,0,0|1,0,1]=4 6636 B12R1.385 CSCOc1ccc(c(c1)Br)I 34a_100000701344_100011218213 [0,2,0,0,0,0|1,0,1]=4 6637 B12R1.385 CSCOc1ccc(c(c1)Br)N 34a_100012001276_100011218213 [0,2,0,0,0,0|1,0,1]=4 6638 B12R1.385 CSCOc1ccc(c(c1)C)Br 34a_100000690111_100011218213 [0,2,0,0,0,0|1,0,1]=4 6639 B12R1.385 CSCOc1ccc(c(c1)C)C 34a_100000210932_100011218213 [0,2,0,0,0,0|1,0,1]=4 6640 B12R1.385 CSCOc1ccc(c(c1)C)Cl 34a_100000211092_100011218213 [0,2,0,0,0,0|1,0,1]=4 6641 B12R1.385 CSCOc1ccc(c(c1)C)F 34a_100000751312_100011218213 [0,2,0,0,0,0|1,0,1]=4 6642 B12R1.385 CSCOc1ccc(c(c1)C)I 34a_100000729255_100011218213 [0,2,0,0,0,0|1,0,1]=4 6643 B12R1.385 CSCOc1ccc(c(c1)C)N 34a_100000756630_100011218213 [0,2,0,0,0,0|1,0,1]=4 6644 B12R1.385 CSCOc1ccc(c(c1)Cl)Br 34a_100011215161_100011218213 [0,2,0,0,0,0|1,0,1]=4 6645 B12R1.385 CSCOc1ccc(c(c1)Cl)C 34a_100011265682_100011218213 [0,2,0,0,0,0|1,0,1]=4 6646 B12R1.385 CSCOc1ccc(c(c1)Cl)Cl 34a_100000211054_100011218213 [0,2,0,0,0,0|1,0,1]=4 6647 B12R1.385 CSCOc1ccc(c(c1)Cl)F 34a_100000211030_100011218213 [0,2,0,0,0,0|1,0,1]=4 6648 B12R1.385 CSCOc1ccc(c(c1)Cl)I 34a_100000047559_100011218213 [0,2,0,0,0,0|1,0,1]=4 6649 B12R1.385 CSCOc1ccc(c(c1)Cl)N 34a_100011215599_100011218213 [0,2,0,0,0,0|1,0,1]=4 6650 B12R1.385 CSCOc1ccc(c(c1)F)Br 34a_100000755031_100011218213 [0,2,0,0,0,0|1,0,1]=4 6651 B12R1.385 CSCOc1ccc(c(c1)F)C 34a_100000722560_100011218213 [0,2,0,0,0,0|1,0,1]=4 6652 B12R1.385 CSCOc1ccc(c(c1)F)Cl 34a_100000691581_100011218213 [0,2,0,0,0,0|1,0,1]=4 6653 B12R1.385 CSCOc1ccc(c(c1)F)F 34a_100000181275_100011218213 [0,2,0,0,0,0|1,0,1]=4 6654 B12R1.385 CSCOc1ccc(c(c1)F)I 34a_100009990212_100011218213 [0,2,0,0,0,0|1,0,1]=4 6655 B12R1.385 CSCOc1ccc(c(c1)F)N 34a_100000759473_100011218213 [0,2,0,0,0,0|1,0,1]=4 6656 B12R1.385 CSCOc1ccc(c(c1)I)Br 34a_100012339312_100011218213 [0,2,0,0,0,0|1,0,1]=4 6657 B12R1.385 CSCOc1ccc(c(c1)I)Cl 34a_100000049588_100011218213 [0,2,0,0,0,0|1,0,1]=4 6658 B12R1.385 CSCOc1ccc(c(c1)I)N 34a_100010084370_100011218213 [0,2,0,0,0,0|1,0,1]=4 6659 B12R1.385 CSCOc1ccc(c(c1)N)Br 34a_100011999798_100011218213 [0,2,0,0,0,0|1,0,1]=4 6660 B12R1.385 CSCOc1ccc(c(c1)N)C 34a_100011216113_100011218213 [0,2,0,0,0,0|1,0,1]=4 6661 B12R1.385 CSCOc1ccc(c(c1)N)Cl 34a_100011934297_100011218213 [0,2,0,0,0,0|1,0,1]=4 6662 B12R1.385 CSCOc1ccc(c(c1)N)F 34a_100012017239_100011218213 [0,2,0,0,0,0|1,0,1]=4 6663 B12R1.385 CSCOc1ccc(c(c1)N)N 34a_100025771000_100011218213 [0,2,0,0,0,0|1,0,1]=4 6664 B12R1.385 Cc1cc(ccc1Br)NCC=O 2230a_100000210723_200015260668 [0,2,0,0,0,0|2,0,0]=4 6665 B12R1.385 Cc1cc(ccc1Br)NCC=O 34a_100000210723_200009817547 [0,2,0,0,0,0|2,0,0]=4 6666 B12R1.385 Cc1cc(ccc1Br)NCC=O 7a_100000210723_200015260668 [0,2,0,0,0,0|2,0,0]=4 6667 B12R1.385 Cc1cc(ccc1Br)OCC#N 7a_100000690111_100011215382 [0,2,0,0,0,0|1,0,1]=4 6668 B12R1.385 Cc1cc(ccc1Br)OCC=O 34a_100000690111_200009817547 [0,2,0,0,0,0|1,0,0]=3 6669 B12R1.385 Cc1cc(ccc1Br)OCC=O 7a_100000690111_200015260668 [0,2,0,0,0,0|1,0,0]=3 6670 B12R1.385 Cc1cc(ccc1Br)OCCF 34a_100000690111_100011217306 [0,2,0,0,0,0|1,0,1]=4 6671 B12R1.385 Cc1cc(ccc1Br)OCCF 7a_100000690111_100011217306 [0,2,0,0,0,0|1,0,1]=4 6672 B12R1.385 Cc1cc(ccc1Br)OCCO 34a_100000690111_100000211926 [0,2,0,0,0,0|1,0,1]=4 6673 B12R1.385 Cc1cc(ccc1Br)OCCO 7a_100000690111_100000211926 [0,2,0,0,0,0|1,0,1]=4 6674 B12R1.385 Cc1cc(ccc1Br)SCC=O 62a_100009813585_200015260668 [0,2,0,0,0,0|1,1,0]=4 6675 B12R1.385 Cc1cc(ccc1Br)SCC=O 62a_200015260668_100009813585 [0,2,0,0,0,0|1,1,0]=4 6676 B12R1.385 Cc1cc(ccc1Cl)NCC=O 2230a_100000187808_200015260668 [0,2,0,0,0,0|2,0,0]=4 6677 B12R1.385 Cc1cc(ccc1Cl)NCC=O 34a_100000187808_200009817547 [0,2,0,0,0,0|2,0,0]=4 6678 B12R1.385 Cc1cc(ccc1Cl)NCC=O 7a_100000187808_200015260668 [0,2,0,0,0,0|2,0,0]=4 6679 B12R1.385 Cc1cc(ccc1Cl)OCC#N 7a_100000211092_100011215382 [0,2,0,0,0,0|1,0,1]=4 6680 B12R1.385 Cc1cc(ccc1Cl)OCC=O 34a_100000211092_200009817547 [0,2,0,0,0,0|1,0,0]=3 6681 B12R1.385 Cc1cc(ccc1Cl)OCC=O 7a_100000211092_200015260668 [0,2,0,0,0,0|1,0,0]=3 6682 B12R1.385 Cc1cc(ccc1Cl)OCCF 34a_100000211092_100011217306 [0,2,0,0,0,0|1,0,1]=4 6683 B12R1.385 Cc1cc(ccc1Cl)OCCF 7a_100000211092_100011217306 [0,2,0,0,0,0|1,0,1]=4 6684 B12R1.385 Cc1cc(ccc1Cl)OCCO 34a_100000211092_100000211926 [0,2,0,0,0,0|1,0,1]=4 6685 B12R1.385 Cc1cc(ccc1Cl)OCCO 7a_100000211092_100000211926 [0,2,0,0,0,0|1,0,1]=4 6686 B12R1.385 Cc1cc(ccc1Cl)SCC=O 62a_100000049509_200015260668 [0,2,0,0,0,0|1,1,0]=4 6687 B12R1.385 Cc1cc(ccc1Cl)SCC=O 62a_200015260668_100000049509 [0,2,0,0,0,0|1,1,0]=4 6688 B12R1.385 Cc1cc(ccc1F)NCC=O 2230a_100000750164_200015260668 [0,2,0,0,0,0|2,0,0]=4 6689 B12R1.385 Cc1cc(ccc1F)NCC=O 34a_100000750164_200009817547 [0,2,0,0,0,0|2,0,0]=4 6690 B12R1.385 Cc1cc(ccc1F)NCC=O 7a_100000750164_200015260668 [0,2,0,0,0,0|2,0,0]=4 6691 B12R1.385 Cc1cc(ccc1F)OCC#N 7a_100000751312_100011215382 [0,2,0,0,0,0|1,0,1]=4 6692 B12R1.385 Cc1cc(ccc1F)OCC=O 34a_100000751312_200009817547 [0,2,0,0,0,0|1,0,0]=3 6693 B12R1.385 Cc1cc(ccc1F)OCC=O 7a_100000751312_200015260668 [0,2,0,0,0,0|1,0,0]=3 6694 B12R1.385 Cc1cc(ccc1F)OCCF 34a_100000751312_100011217306 [0,2,0,0,0,0|1,0,1]=4 6695 B12R1.385 Cc1cc(ccc1F)OCCF 7a_100000751312_100011217306 [0,2,0,0,0,0|1,0,1]=4 6696 B12R1.385 Cc1cc(ccc1F)OCCO 34a_100000751312_100000211926 [0,2,0,0,0,0|1,0,1]=4 6697 B12R1.385 Cc1cc(ccc1F)OCCO 7a_100000751312_100000211926 [0,2,0,0,0,0|1,0,1]=4 6698 B12R1.385 Cc1cc(ccc1F)SCC=O 62a_100011218330_200015260668 [0,2,0,0,0,0|1,1,0]=4 6699 B12R1.385 Cc1cc(ccc1F)SCC=O 62a_200015260668_100011218330 [0,2,0,0,0,0|1,1,0]=4 6700 B12R1.385 Cc1cc(ccc1I)NCC=O 34a_100000198070_200009817547 [0,2,0,0,0,0|2,0,0]=4 6701 B12R1.385 Cc1cc(ccc1I)NCC=O 7a_100000198070_200015260668 [0,2,0,0,0,0|2,0,0]=4 6702 B12R1.385 Cc1cc(ccc1I)OCC#N 7a_100000729255_100011215382 [0,2,0,0,0,0|1,0,1]=4 6703 B12R1.385 Cc1cc(ccc1I)OCC=O 34a_100000729255_200009817547 [0,2,0,0,0,0|1,0,0]=3 6704 B12R1.385 Cc1cc(ccc1I)OCC=O 7a_100000729255_200015260668 [0,2,0,0,0,0|1,0,0]=3 6705 B12R1.385 Cc1cc(ccc1I)OCCF 34a_100000729255_100011217306 [0,2,0,0,0,0|1,0,1]=4 6706 B12R1.385 Cc1cc(ccc1I)OCCF 7a_100000729255_100011217306 [0,2,0,0,0,0|1,0,1]=4 6707 B12R1.385 Cc1cc(ccc1I)OCCO 34a_100000729255_100000211926 [0,2,0,0,0,0|1,0,1]=4 6708 B12R1.385 Cc1cc(ccc1I)OCCO 7a_100000729255_100000211926 [0,2,0,0,0,0|1,0,1]=4 6709 B12R1.385 Cc1cc(ccc1N)OCC#N 7a_100000756630_100011215382 [0,2,0,0,0,0|1,0,1]=4 6710 B12R1.385 Cc1cc(ccc1N)OCC=O 34a_100000756630_200009817547 [0,2,0,0,0,0|1,0,0]=3 6711 B12R1.385 Cc1cc(ccc1N)OCC=O 7a_100000756630_200015260668 [0,2,0,0,0,0|1,0,0]=3 6712 B12R1.385 Cc1cc(ccc1N)OCCF 34a_100000756630_100011217306 [0,2,0,0,0,0|1,0,1]=4 6713 B12R1.385 Cc1cc(ccc1N)OCCF 7a_100000756630_100011217306 [0,2,0,0,0,0|1,0,1]=4 6714 B12R1.385 Cc1cc(ccc1N)OCCO 34a_100000756630_100000211926 [0,2,0,0,0,0|1,0,1]=4 6715 B12R1.385 Cc1cc(ccc1N)OCCO 7a_100000756630_100000211926 [0,2,0,0,0,0|1,0,1]=4 6716 B12R1.385 Cc1cc(ccc1N)SCC=O 62a_100000211769_200015260668 [0,2,0,0,0,0|1,1,0]=4 6717 B12R1.385 Cc1cc(ccc1N)SCC=O 62a_200015260668_100000211769 [0,2,0,0,0,0|1,1,0]=4 6718 B12R1.385 Cc1cc(ccc1O)NCC=O 34a_100011218179_200009817547 [0,2,0,0,0,0|2,0,0]=4 6719 B12R1.385 Cc1cc(ccc1O)NCC=O 7a_100011218179_200015260668 [0,2,0,0,0,0|2,0,0]=4 6720 B12R1.385 Cc1cc(ccc1O)SCC=O 62a_200015260668_100000186361 [0,2,0,0,0,0|1,1,0]=4 6721 B12R1.385 Cc1cc(cnc1Br)OCC=O 34a_100012000486_200009817547 [0,2,0,0,0,0|2,0,0]=4 6722 B12R1.385 Cc1cc(cnc1Br)OCC=O 7a_100012000486_200015260668 [0,2,0,0,0,0|2,0,0]=4 6723 B12R1.385 Cc1cc(cnc1C)OCC=O 34a_100009854398_200009817547 [0,2,0,0,0,0|2,0,0]=4 6724 B12R1.385 Cc1cc(cnc1C)OCC=O 7a_100009854398_200015260668 [0,2,0,0,0,0|2,0,0]=4 6725 B12R1.385 Cc1cc(cnc1Cl)OCC=O 34a_100012002680_200009817547 [0,2,0,0,0,0|2,0,0]=4 6726 B12R1.385 Cc1cc(cnc1Cl)OCC=O 7a_100012002680_200015260668 [0,2,0,0,0,0|2,0,0]=4 6727 B12R1.385 Cc1cc(cnc1F)OCC=O 34a_100000094615_200009817547 [0,2,0,0,0,0|2,0,0]=4 6728 B12R1.385 Cc1cc(cnc1F)OCC=O 7a_100000094615_200015260668 [0,2,0,0,0,0|2,0,0]=4 6729 B12R1.385 Cc1cc(ncc1Br)OCC=O 34a_100000766222_200009817547 [0,2,0,0,0,0|2,0,0]=4 6730 B12R1.385 Cc1cc(ncc1Cl)OCC=O 34a_200000085746_200009817547 [0,2,0,0,0,0|2,0,0]=4 6731 B12R1.385 Cc1ccc(cc1Br)NCC=O 2230a_100000736455_200015260668 [0,2,0,0,0,0|2,0,0]=4 6732 B12R1.385 Cc1ccc(cc1Br)NCC=O 34a_100000736455_200009817547 [0,2,0,0,0,0|2,0,0]=4 6733 B12R1.385 Cc1ccc(cc1Br)NCC=O 7a_100000736455_200015260668 [0,2,0,0,0,0|2,0,0]=4 6734 B12R1.385 Cc1ccc(cc1Br)OCC#N 7a_100011380479_100011215382 [0,2,0,0,0,0|1,0,1]=4 6735 B12R1.385 Cc1ccc(cc1Br)OCC=O 34a_100011380479_200009817547 [0,2,0,0,0,0|1,0,0]=3 6736 B12R1.385 Cc1ccc(cc1Br)OCC=O 7a_100011380479_200015260668 [0,2,0,0,0,0|1,0,0]=3 6737 B12R1.385 Cc1ccc(cc1Br)OCCF 34a_100011380479_100011217306 [0,2,0,0,0,0|1,0,1]=4 6738 B12R1.385 Cc1ccc(cc1Br)OCCF 7a_100011380479_100011217306 [0,2,0,0,0,0|1,0,1]=4 6739 B12R1.385 Cc1ccc(cc1Br)OCCO 34a_100011380479_100000211926 [0,2,0,0,0,0|1,0,1]=4 6740 B12R1.385 Cc1ccc(cc1Br)OCCO 7a_100011380479_100000211926 [0,2,0,0,0,0|1,0,1]=4 6741 B12R1.385 Cc1ccc(cc1Br)SCC=O 62a_100011847877_200015260668 [0,2,0,0,0,0|1,1,0]=4 6742 B12R1.385 Cc1ccc(cc1Br)SCC=O 62a_200015260668_100011847877 [0,2,0,0,0,0|1,1,0]=4 6743 B12R1.385 Cc1ccc(cc1C)NCC=O 2230a_100000724040_200015260668 [0,2,0,0,0,0|2,0,0]=4 6744 B12R1.385 Cc1ccc(cc1C)NCC=O 34a_100000724040_200009817547 [0,2,0,0,0,0|2,0,0]=4 6745 B12R1.385 Cc1ccc(cc1C)NCC=O 7a_100000724040_200015260668 [0,2,0,0,0,0|2,0,0]=4 6746 B12R1.385 Cc1ccc(cc1C)OCC#N 7a_100000210932_100011215382 [0,2,0,0,0,0|1,0,1]=4 6747 B12R1.385 Cc1ccc(cc1C)OCC=O 34a_100000210932_200009817547 [0,2,0,0,0,0|1,0,0]=3 6748 B12R1.385 Cc1ccc(cc1C)OCC=O 7a_100000210932_200015260668 [0,2,0,0,0,0|1,0,0]=3 6749 B12R1.385 Cc1ccc(cc1C)OCCF 34a_100000210932_100011217306 [0,2,0,0,0,0|1,0,1]=4 6750 B12R1.385 Cc1ccc(cc1C)OCCF 7a_100000210932_100011217306 [0,2,0,0,0,0|1,0,1]=4 6751 B12R1.385 Cc1ccc(cc1C)OCCO 34a_100000210932_100000211926 [0,2,0,0,0,0|1,0,1]=4 6752 B12R1.385 Cc1ccc(cc1C)OCCO 7a_100000210932_100000211926 [0,2,0,0,0,0|1,0,1]=4 6753 B12R1.385 Cc1ccc(cc1C)SCC=O 62a_100011215607_200015260668 [0,2,0,0,0,0|1,1,0]=4 6754 B12R1.385 Cc1ccc(cc1C)SCC=O 62a_200015260668_100011215607 [0,2,0,0,0,0|1,1,0]=4 6755 B12R1.385 Cc1ccc(cc1Cl)NCC=O 2230a_100000188892_200015260668 [0,2,0,0,0,0|2,0,0]=4 6756 B12R1.385 Cc1ccc(cc1Cl)NCC=O 34a_100000188892_200009817547 [0,2,0,0,0,0|2,0,0]=4 6757 B12R1.385 Cc1ccc(cc1Cl)NCC=O 7a_100000188892_200015260668 [0,2,0,0,0,0|2,0,0]=4 6758 B12R1.385 Cc1ccc(cc1Cl)OCC#N 7a_100011265682_100011215382 [0,2,0,0,0,0|1,0,1]=4 6759 B12R1.385 Cc1ccc(cc1Cl)OCC=O 34a_100011265682_200009817547 [0,2,0,0,0,0|1,0,0]=3 6760 B12R1.385 Cc1ccc(cc1Cl)OCC=O 7a_100011265682_200015260668 [0,2,0,0,0,0|1,0,0]=3 6761 B12R1.385 Cc1ccc(cc1Cl)OCCF 34a_100011265682_100011217306 [0,2,0,0,0,0|1,0,1]=4 6762 B12R1.385 Cc1ccc(cc1Cl)OCCF 7a_100011265682_100011217306 [0,2,0,0,0,0|1,0,1]=4 6763 B12R1.385 Cc1ccc(cc1Cl)OCCO 34a_100011265682_100000211926 [0,2,0,0,0,0|1,0,1]=4 6764 B12R1.385 Cc1ccc(cc1Cl)OCCO 7a_100011265682_100000211926 [0,2,0,0,0,0|1,0,1]=4 6765 B12R1.385 Cc1ccc(cc1Cl)SCC=O 62a_100011216363_200015260668 [0,2,0,0,0,0|1,1,0]=4 6766 B12R1.385 Cc1ccc(cc1Cl)SCC=O 62a_200015260668_100011216363 [0,2,0,0,0,0|1,1,0]=4 6767 B12R1.385 Cc1ccc(cc1F)NCC=O 2230a_100000210958_200015260668 [0,2,0,0,0,0|2,0,0]=4 6768 B12R1.385 Cc1ccc(cc1F)NCC=O 34a_100000210958_200009817547 [0,2,0,0,0,0|2,0,0]=4 6769 B12R1.385 Cc1ccc(cc1F)NCC=O 7a_100000210958_200015260668 [0,2,0,0,0,0|2,0,0]=4 6770 B12R1.385 Cc1ccc(cc1F)OCC#N 7a_100000722560_100011215382 [0,2,0,0,0,0|1,0,1]=4 6771 B12R1.385 Cc1ccc(cc1F)OCC=O 34a_100000722560_200009817547 [0,2,0,0,0,0|1,0,0]=3 6772 B12R1.385 Cc1ccc(cc1F)OCC=O 7a_100000722560_200015260668 [0,2,0,0,0,0|1,0,0]=3 6773 B12R1.385 Cc1ccc(cc1F)OCCF 34a_100000722560_100011217306 [0,2,0,0,0,0|1,0,1]=4 6774 B12R1.385 Cc1ccc(cc1F)OCCF 7a_100000722560_100011217306 [0,2,0,0,0,0|1,0,1]=4 6775 B12R1.385 Cc1ccc(cc1F)OCCO 34a_100000722560_100000211926 [0,2,0,0,0,0|1,0,1]=4 6776 B12R1.385 Cc1ccc(cc1F)OCCO 7a_100000722560_100000211926 [0,2,0,0,0,0|1,0,1]=4 6777 B12R1.385 Cc1ccc(cc1F)SCC=O 62a_100000720648_200015260668 [0,2,0,0,0,0|1,1,0]=4 6778 B12R1.385 Cc1ccc(cc1F)SCC=O 62a_200015260668_100000720648 [0,2,0,0,0,0|1,1,0]=4 6779 B12R1.385 Cc1ccc(cc1I)NCC=O 34a_100000184131_200009817547 [0,2,0,0,0,0|2,0,0]=4 6780 B12R1.385 Cc1ccc(cc1I)NCC=O 7a_100000184131_200015260668 [0,2,0,0,0,0|2,0,0]=4 6781 B12R1.385 Cc1ccc(cc1N)OCC#N 7a_100011216113_100011215382 [0,2,0,0,0,0|1,0,1]=4 6782 B12R1.385 Cc1ccc(cc1N)OCC=O 34a_100011216113_200009817547 [0,2,0,0,0,0|1,0,0]=3 6783 B12R1.385 Cc1ccc(cc1N)OCC=O 7a_100011216113_200015260668 [0,2,0,0,0,0|1,0,0]=3 6784 B12R1.385 Cc1ccc(cc1N)OCCF 34a_100011216113_100011217306 [0,2,0,0,0,0|1,0,1]=4 6785 B12R1.385 Cc1ccc(cc1N)OCCF 7a_100011216113_100011217306 [0,2,0,0,0,0|1,0,1]=4 6786 B12R1.385 Cc1ccc(cc1N)OCCO 34a_100011216113_100000211926 [0,2,0,0,0,0|1,0,1]=4 6787 B12R1.385 Cc1ccc(cc1N)OCCO 7a_100011216113_100000211926 [0,2,0,0,0,0|1,0,1]=4 6788 B12R1.385 Cc1ccc(cc1N)SCC=O 62a_100000761890_200015260668 [0,2,0,0,0,0|1,1,0]=4 6789 B12R1.385 Cc1ccc(cc1N)SCC=O 62a_200015260668_100000761890 [0,2,0,0,0,0|1,1,0]=4 6790 B12R1.385 Cc1ccc(cc1O)NCC=O 34a_100000759471_200009817547 [0,2,0,0,0,0|2,0,0]=4 6791 B12R1.385 Cc1ccc(cc1O)NCC=O 7a_100000759471_200015260668 [0,2,0,0,0,0|2,0,0]=4 6792 B12R1.385 Cc1ccc(cc1O)SCC=O 62a_100000685420_200015260668 [0,2,0,0,0,0|1,1,0]=4 6793 B12R1.385 Cc1ccc(cc1O)SCC=O 62a_200015260668_100000685420 [0,2,0,0,0,0|1,1,0]=4 6794 B12R1.385 Cc1cnc(cc1Br)OCC=O 34a_100009831917_200009817547 [0,2,0,0,0,0|2,0,0]=4 6795 B12R1.385 Cc1nc(ccc1Br)OCC=O 34a_100000691680_200009817547 [0,2,0,0,0,0|2,0,0]=4 6796 B12R1.385 Cc1nc(ccc1Cl)OCC=O 34a_200009863735_200009817547 [0,2,0,0,0,0|2,0,0]=4 6797 B12R1.385 Cc1ncc(cc1Br)OCC=O 34a_100009819603_200009817547 [0,2,0,0,0,0|2,0,0]=4 6798 B12R1.385 Cc1ncc(cc1Br)OCC=O 7a_100009819603_200015260668 [0,2,0,0,0,0|2,0,0]=4 6799 B12R1.385 FCCOc1ccc(c(c1)Br)Cl 34a_100011933957_100011217306 [0,2,0,0,0,0|1,0,1]=4 6800 B12R1.385 FCCOc1ccc(c(c1)Br)Cl 7a_100011933957_100011217306 [0,2,0,0,0,0|1,0,1]=4 6801 B12R1.385 FCCOc1ccc(c(c1)Br)F 34a_100000693481_100011217306 [0,2,0,0,0,0|1,0,1]=4 6802 B12R1.385 FCCOc1ccc(c(c1)Br)F 7a_100000693481_100011217306 [0,2,0,0,0,0|1,0,1]=4 6803 B12R1.385 FCCOc1ccc(c(c1)Br)I 34a_100000701344_100011217306 [0,2,0,0,0,0|1,0,1]=4 6804 B12R1.385 FCCOc1ccc(c(c1)Br)I 7a_100000701344_100011217306 [0,2,0,0,0,0|1,0,1]=4 6805 B12R1.385 FCCOc1ccc(c(c1)Cl)Br 34a_100011215161_100011217306 [0,2,0,0,0,0|1,0,1]=4 6806 B12R1.385 FCCOc1ccc(c(c1)Cl)Br 7a_100011215161_100011217306 [0,2,0,0,0,0|1,0,1]=4 6807 B12R1.385 FCCOc1ccc(c(c1)Cl)Cl 34a_100000211054_100011217306 [0,2,0,0,0,0|1,0,1]=4 6808 B12R1.385 FCCOc1ccc(c(c1)Cl)Cl 7a_100000211054_100011217306 [0,2,0,0,0,0|1,0,1]=4 6809 B12R1.385 FCCOc1ccc(c(c1)Cl)F 34a_100000211030_100011217306 [0,2,0,0,0,0|1,0,1]=4 6810 B12R1.385 FCCOc1ccc(c(c1)Cl)F 7a_100000211030_100011217306 [0,2,0,0,0,0|1,0,1]=4 6811 B12R1.385 FCCOc1ccc(c(c1)Cl)I 34a_100000047559_100011217306 [0,2,0,0,0,0|1,0,1]=4 6812 B12R1.385 FCCOc1ccc(c(c1)Cl)I 7a_100000047559_100011217306 [0,2,0,0,0,0|1,0,1]=4 6813 B12R1.385 FCCOc1ccc(c(c1)F)Br 34a_100000755031_100011217306 [0,2,0,0,0,0|1,0,1]=4 6814 B12R1.385 FCCOc1ccc(c(c1)F)Br 7a_100000755031_100011217306 [0,2,0,0,0,0|1,0,1]=4 6815 B12R1.385 FCCOc1ccc(c(c1)F)Cl 34a_100000691581_100011217306 [0,2,0,0,0,0|1,0,1]=4 6816 B12R1.385 FCCOc1ccc(c(c1)F)Cl 7a_100000691581_100011217306 [0,2,0,0,0,0|1,0,1]=4 6817 B12R1.385 FCCOc1ccc(c(c1)F)F 34a_100000181275_100011217306 [0,2,0,0,0,0|1,0,1]=4 6818 B12R1.385 FCCOc1ccc(c(c1)F)F 7a_100000181275_100011217306 [0,2,0,0,0,0|1,0,1]=4 6819 B12R1.385 FCCOc1ccc(c(c1)F)I 34a_100009990212_100011217306 [0,2,0,0,0,0|1,0,1]=4 6820 B12R1.385 FCCOc1ccc(c(c1)F)I 7a_100009990212_100011217306 [0,2,0,0,0,0|1,0,1]=4 6821 B12R1.385 FCCOc1ccc(c(c1)I)Br 34a_100012339312_100011217306 [0,2,0,0,0,0|1,0,1]=4 6822 B12R1.385 FCCOc1ccc(c(c1)I)Br 7a_100012339312_100011217306 [0,2,0,0,0,0|1,0,1]=4 6823 B12R1.385 FCCOc1ccc(c(c1)I)Cl 34a_100000049588_100011217306 [0,2,0,0,0,0|1,0,1]=4 6824 B12R1.385 FCCOc1ccc(c(c1)I)Cl 7a_100000049588_100011217306 [0,2,0,0,0,0|1,0,1]=4 6825 B12R1.385 N#CCOc1ccc(c(c1)Br)Cl 7a_100011933957_100011215382 [0,2,0,0,0,0|1,0,1]=4 6826 B12R1.385 N#CCOc1ccc(c(c1)Br)F 7a_100000693481_100011215382 [0,2,0,0,0,0|1,0,1]=4 6827 B12R1.385 N#CCOc1ccc(c(c1)Br)I 7a_100000701344_100011215382 [0,2,0,0,0,0|1,0,1]=4 6828 B12R1.385 N#CCOc1ccc(c(c1)Br)N 7a_100012001276_100011215382 [0,2,0,0,0,0|1,0,1]=4 6829 B12R1.385 N#CCOc1ccc(c(c1)Cl)Br 7a_100011215161_100011215382 [0,2,0,0,0,0|1,0,1]=4 6830 B12R1.385 N#CCOc1ccc(c(c1)Cl)Cl 7a_100000211054_100011215382 [0,2,0,0,0,0|1,0,1]=4 6831 B12R1.385 N#CCOc1ccc(c(c1)Cl)F 7a_100000211030_100011215382 [0,2,0,0,0,0|1,0,1]=4 6832 B12R1.385 N#CCOc1ccc(c(c1)Cl)I 7a_100000047559_100011215382 [0,2,0,0,0,0|1,0,1]=4 6833 B12R1.385 N#CCOc1ccc(c(c1)Cl)N 7a_100011215599_100011215382 [0,2,0,0,0,0|1,0,1]=4 6834 B12R1.385 N#CCOc1ccc(c(c1)F)Br 7a_100000755031_100011215382 [0,2,0,0,0,0|1,0,1]=4 6835 B12R1.385 N#CCOc1ccc(c(c1)F)Cl 7a_100000691581_100011215382 [0,2,0,0,0,0|1,0,1]=4 6836 B12R1.385 N#CCOc1ccc(c(c1)F)F 7a_100000181275_100011215382 [0,2,0,0,0,0|1,0,1]=4 6837 B12R1.385 N#CCOc1ccc(c(c1)F)I 7a_100009990212_100011215382 [0,2,0,0,0,0|1,0,1]=4 6838 B12R1.385 N#CCOc1ccc(c(c1)F)N 7a_100000759473_100011215382 [0,2,0,0,0,0|1,0,1]=4 6839 B12R1.385 N#CCOc1ccc(c(c1)I)Br 7a_100012339312_100011215382 [0,2,0,0,0,0|1,0,1]=4 6840 B12R1.385 N#CCOc1ccc(c(c1)I)Cl 7a_100000049588_100011215382 [0,2,0,0,0,0|1,0,1]=4 6841 B12R1.385 N#CCOc1ccc(c(c1)I)N 7a_100010084370_100011215382 [0,2,0,0,0,0|1,0,1]=4 6842 B12R1.385 N#CCOc1ccc(c(c1)N)Br 7a_100011999798_100011215382 [0,2,0,0,0,0|1,0,1]=4 6843 B12R1.385 N#CCOc1ccc(c(c1)N)F 7a_100012017239_100011215382 [0,2,0,0,0,0|1,0,1]=4 6844 B12R1.385 Nc1cc(ccc1Br)OCC=O 34a_100011999798_200009817547 [0,2,0,0,0,0|1,0,0]=3 6845 B12R1.385 Nc1cc(ccc1Br)OCC=O 7a_100011999798_200015260668 [0,2,0,0,0,0|1,0,0]=3 6846 B12R1.385 Nc1cc(ccc1Br)OCCF 34a_100011999798_100011217306 [0,2,0,0,0,0|1,0,1]=4 6847 B12R1.385 Nc1cc(ccc1Br)OCCF 7a_100011999798_100011217306 [0,2,0,0,0,0|1,0,1]=4 6848 B12R1.385 Nc1cc(ccc1Br)OCCO 34a_100011999798_100000211926 [0,2,0,0,0,0|1,0,1]=4 6849 B12R1.385 Nc1cc(ccc1Br)OCCO 7a_100011999798_100000211926 [0,2,0,0,0,0|1,0,1]=4 6850 B12R1.385 Nc1cc(ccc1Br)SCC=O 62a_100000750456_200015260668 [0,2,0,0,0,0|1,1,0]=4 6851 B12R1.385 Nc1cc(ccc1Br)SCC=O 62a_200015260668_100000750456 [0,2,0,0,0,0|1,1,0]=4 6852 B12R1.385 Nc1cc(ccc1Cl)OCC=O 34a_100011934297_200009817547 [0,2,0,0,0,0|1,0,0]=3 6853 B12R1.385 Nc1cc(ccc1Cl)OCCF 34a_100011934297_100011217306 [0,2,0,0,0,0|1,0,1]=4 6854 B12R1.385 Nc1cc(ccc1Cl)OCCO 34a_100011934297_100000211926 [0,2,0,0,0,0|1,0,1]=4 6855 B12R1.385 Nc1cc(ccc1Cl)SCC=O 62a_200000761891_200015260668 [0,2,0,0,0,0|1,1,0]=4 6856 B12R1.385 Nc1cc(ccc1Cl)SCC=O 62a_200015260668_200000761891 [0,2,0,0,0,0|1,1,0]=4 6857 B12R1.385 Nc1cc(ccc1F)OCC=O 34a_100012017239_200009817547 [0,2,0,0,0,0|1,0,0]=3 6858 B12R1.385 Nc1cc(ccc1F)OCC=O 7a_100012017239_200015260668 [0,2,0,0,0,0|1,0,0]=3 6859 B12R1.385 Nc1cc(ccc1F)OCCF 34a_100012017239_100011217306 [0,2,0,0,0,0|1,0,1]=4 6860 B12R1.385 Nc1cc(ccc1F)OCCF 7a_100012017239_100011217306 [0,2,0,0,0,0|1,0,1]=4 6861 B12R1.385 Nc1cc(ccc1F)OCCO 34a_100012017239_100000211926 [0,2,0,0,0,0|1,0,1]=4 6862 B12R1.385 Nc1cc(ccc1F)OCCO 7a_100012017239_100000211926 [0,2,0,0,0,0|1,0,1]=4 6863 B12R1.385 Nc1cc(ccc1F)SCC=O 62a_100000740924_200015260668 [0,2,0,0,0,0|1,1,0]=4 6864 B12R1.385 Nc1cc(ccc1F)SCC=O 62a_200015260668_100000740924 [0,2,0,0,0,0|1,1,0]=4 6865 B12R1.385 Nc1cc(ccc1O)SCC=O 62a_100000752626_200015260668 [0,2,0,0,0,0|1,1,0]=4 6866 B12R1.385 Nc1cc(ccc1O)SCC=O 62a_200015260668_100000752626 [0,2,0,0,0,0|1,1,0]=4 6867 B12R1.385 Nc1ccc(cc1Br)OCC=O 34a_100012001276_200009817547 [0,2,0,0,0,0|1,0,0]=3 6868 B12R1.385 Nc1ccc(cc1Br)OCC=O 7a_100012001276_200015260668 [0,2,0,0,0,0|1,0,0]=3 6869 B12R1.385 Nc1ccc(cc1Br)OCCF 34a_100012001276_100011217306 [0,2,0,0,0,0|1,0,1]=4 6870 B12R1.385 Nc1ccc(cc1Br)OCCF 7a_100012001276_100011217306 [0,2,0,0,0,0|1,0,1]=4 6871 B12R1.385 Nc1ccc(cc1Br)OCCO 34a_100012001276_100000211926 [0,2,0,0,0,0|1,0,1]=4 6872 B12R1.385 Nc1ccc(cc1Br)OCCO 7a_100012001276_100000211926 [0,2,0,0,0,0|1,0,1]=4 6873 B12R1.385 Nc1ccc(cc1Br)SCC=O 62a_100000750455_200015260668 [0,2,0,0,0,0|1,1,0]=4 6874 B12R1.385 Nc1ccc(cc1Br)SCC=O 62a_200015260668_100000750455 [0,2,0,0,0,0|1,1,0]=4 6875 B12R1.385 Nc1ccc(cc1Cl)OCC=O 34a_100011215599_200009817547 [0,2,0,0,0,0|1,0,0]=3 6876 B12R1.385 Nc1ccc(cc1Cl)OCC=O 7a_100011215599_200015260668 [0,2,0,0,0,0|1,0,0]=3 6877 B12R1.385 Nc1ccc(cc1Cl)OCCF 34a_100011215599_100011217306 [0,2,0,0,0,0|1,0,1]=4 6878 B12R1.385 Nc1ccc(cc1Cl)OCCF 7a_100011215599_100011217306 [0,2,0,0,0,0|1,0,1]=4 6879 B12R1.385 Nc1ccc(cc1Cl)OCCO 34a_100011215599_100000211926 [0,2,0,0,0,0|1,0,1]=4 6880 B12R1.385 Nc1ccc(cc1Cl)OCCO 7a_100011215599_100000211926 [0,2,0,0,0,0|1,0,1]=4 6881 B12R1.385 Nc1ccc(cc1Cl)SCC=O 62a_100011218065_200015260668 [0,2,0,0,0,0|1,1,0]=4 6882 B12R1.385 Nc1ccc(cc1Cl)SCC=O 62a_200015260668_100011218065 [0,2,0,0,0,0|1,1,0]=4 6883 B12R1.385 Nc1ccc(cc1F)OCC=O 34a_100000759473_200009817547 [0,2,0,0,0,0|1,0,0]=3 6884 B12R1.385 Nc1ccc(cc1F)OCC=O 7a_100000759473_200015260668 [0,2,0,0,0,0|1,0,0]=3 6885 B12R1.385 Nc1ccc(cc1F)OCCF 34a_100000759473_100011217306 [0,2,0,0,0,0|1,0,1]=4 6886 B12R1.385 Nc1ccc(cc1F)OCCF 7a_100000759473_100011217306 [0,2,0,0,0,0|1,0,1]=4 6887 B12R1.385 Nc1ccc(cc1F)OCCO 34a_100000759473_100000211926 [0,2,0,0,0,0|1,0,1]=4 6888 B12R1.385 Nc1ccc(cc1F)OCCO 7a_100000759473_100000211926 [0,2,0,0,0,0|1,0,1]=4 6889 B12R1.385 Nc1ccc(cc1F)SCC=O 62a_100011215594_200015260668 [0,2,0,0,0,0|1,1,0]=4 6890 B12R1.385 Nc1ccc(cc1F)SCC=O 62a_200015260668_100011215594 [0,2,0,0,0,0|1,1,0]=4 6891 B12R1.385 Nc1ccc(cc1I)OCC=O 34a_100010084370_200009817547 [0,2,0,0,0,0|1,0,0]=3 6892 B12R1.385 Nc1ccc(cc1I)OCC=O 7a_100010084370_200015260668 [0,2,0,0,0,0|1,0,0]=3 6893 B12R1.385 Nc1ccc(cc1I)OCCF 34a_100010084370_100011217306 [0,2,0,0,0,0|1,0,1]=4 6894 B12R1.385 Nc1ccc(cc1I)OCCF 7a_100010084370_100011217306 [0,2,0,0,0,0|1,0,1]=4 6895 B12R1.385 Nc1ccc(cc1I)OCCO 34a_100010084370_100000211926 [0,2,0,0,0,0|1,0,1]=4 6896 B12R1.385 Nc1ccc(cc1I)OCCO 7a_100010084370_100000211926 [0,2,0,0,0,0|1,0,1]=4 6897 B12R1.385 Nc1ccc(cc1N)OCC=O 34a_100025771000_200009817547 [0,2,0,0,0,0|1,0,0]=3 6898 B12R1.385 Nc1ccc(cc1N)OCCF 34a_100025771000_100011217306 [0,2,0,0,0,0|1,0,1]=4 6899 B12R1.385 Nc1ccc(cc1N)OCCO 34a_100025771000_100000211926 [0,2,0,0,0,0|1,0,1]=4 6900 B12R1.385 Nc1ccc(cc1N)SCC=O 62a_100000741789_200015260668 [0,2,0,0,0,0|1,1,0]=4 6901 B12R1.385 Nc1ccc(cc1N)SCC=O 62a_200015260668_100011534411 [0,2,0,0,0,0|1,1,0]=4 6902 B12R1.385 Nc1ccc(cc1O)SCC=O 62a_100000739049_200015260668 [0,2,0,0,0,0|1,1,0]=4 6903 B12R1.385 Nc1ccc(cc1O)SCC=O 62a_200015260668_100000739049 [0,2,0,0,0,0|1,1,0]=4 6904 B12R1.385 O=CCNc1ccc(c(c1)Br)Br 2230a_100011306057_200015260668 [0,2,0,0,0,0|2,0,0]=4 6905 B12R1.385 O=CCNc1ccc(c(c1)Br)Br 34a_100011306057_200009817547 [0,2,0,0,0,0|2,0,0]=4 6906 B12R1.385 O=CCNc1ccc(c(c1)Br)Br 7a_100011306057_200015260668 [0,2,0,0,0,0|2,0,0]=4 6907 B12R1.385 O=CCNc1ccc(c(c1)Br)Cl 2230a_100000686031_200015260668 [0,2,0,0,0,0|2,0,0]=4 6908 B12R1.385 O=CCNc1ccc(c(c1)Br)Cl 34a_100000686031_200009817547 [0,2,0,0,0,0|2,0,0]=4 6909 B12R1.385 O=CCNc1ccc(c(c1)Br)F 2230a_100000760356_200015260668 [0,2,0,0,0,0|2,0,0]=4 6910 B12R1.385 O=CCNc1ccc(c(c1)Br)F 34a_100000760356_200009817547 [0,2,0,0,0,0|2,0,0]=4 6911 B12R1.385 O=CCNc1ccc(c(c1)Br)F 7a_100000760356_200015260668 [0,2,0,0,0,0|2,0,0]=4 6912 B12R1.385 O=CCNc1ccc(c(c1)Br)I 34a_100000750458_200009817547 [0,2,0,0,0,0|2,0,0]=4 6913 B12R1.385 O=CCNc1ccc(c(c1)Br)O 34a_100011534360_200009817547 [0,2,0,0,0,0|2,0,0]=4 6914 B12R1.385 O=CCNc1ccc(c(c1)Cl)Br 2230a_100000687081_200015260668 [0,2,0,0,0,0|2,0,0]=4 6915 B12R1.385 O=CCNc1ccc(c(c1)Cl)Br 34a_100000687081_200009817547 [0,2,0,0,0,0|2,0,0]=4 6916 B12R1.385 O=CCNc1ccc(c(c1)Cl)Br 7a_100000687081_200015260668 [0,2,0,0,0,0|2,0,0]=4 6917 B12R1.385 O=CCNc1ccc(c(c1)Cl)Cl 2230a_100000184108_200015260668 [0,2,0,0,0,0|2,0,0]=4 6918 B12R1.385 O=CCNc1ccc(c(c1)Cl)Cl 34a_100000184108_200009817547 [0,2,0,0,0,0|2,0,0]=4 6919 B12R1.385 O=CCNc1ccc(c(c1)Cl)F 2230a_100000211060_200015260668 [0,2,0,0,0,0|2,0,0]=4 6920 B12R1.385 O=CCNc1ccc(c(c1)Cl)F 34a_100000211060_200009817547 [0,2,0,0,0,0|2,0,0]=4 6921 B12R1.385 O=CCNc1ccc(c(c1)Cl)F 7a_100000211060_200015260668 [0,2,0,0,0,0|2,0,0]=4 6922 B12R1.385 O=CCNc1ccc(c(c1)Cl)I 34a_100000761885_200009817547 [0,2,0,0,0,0|2,0,0]=4 6923 B12R1.385 O=CCNc1ccc(c(c1)Cl)O 34a_100000744943_200009817547 [0,2,0,0,0,0|2,0,0]=4 6924 B12R1.385 O=CCNc1ccc(c(c1)F)Br 2230a_100000759894_200015260668 [0,2,0,0,0,0|2,0,0]=4 6925 B12R1.385 O=CCNc1ccc(c(c1)F)Br 34a_100000759894_200009817547 [0,2,0,0,0,0|2,0,0]=4 6926 B12R1.385 O=CCNc1ccc(c(c1)F)Br 7a_100000759894_200015260668 [0,2,0,0,0,0|2,0,0]=4 6927 B12R1.385 O=CCNc1ccc(c(c1)F)Cl 2230a_100000739366_200015260668 [0,2,0,0,0,0|2,0,0]=4 6928 B12R1.385 O=CCNc1ccc(c(c1)F)Cl 34a_100000739366_200009817547 [0,2,0,0,0,0|2,0,0]=4 6929 B12R1.385 O=CCNc1ccc(c(c1)F)Cl 7a_100000739366_200015260668 [0,2,0,0,0,0|2,0,0]=4 6930 B12R1.385 O=CCNc1ccc(c(c1)F)F 2230a_100000210724_200015260668 [0,2,0,0,0,0|2,0,0]=4 6931 B12R1.385 O=CCNc1ccc(c(c1)F)F 34a_100000210724_200009817547 [0,2,0,0,0,0|2,0,0]=4 6932 B12R1.385 O=CCNc1ccc(c(c1)F)F 7a_100000210724_200015260668 [0,2,0,0,0,0|2,0,0]=4 6933 B12R1.385 O=CCNc1ccc(c(c1)F)I 34a_100011356925_200009817547 [0,2,0,0,0,0|2,0,0]=4 6934 B12R1.385 O=CCNc1ccc(c(c1)F)I 7a_100011356925_200015260668 [0,2,0,0,0,0|2,0,0]=4 6935 B12R1.385 O=CCNc1ccc(c(c1)F)O 34a_100011220035_200009817547 [0,2,0,0,0,0|2,0,0]=4 6936 B12R1.385 O=CCNc1ccc(c(c1)F)O 7a_100011220035_200015260668 [0,2,0,0,0,0|2,0,0]=4 6937 B12R1.385 O=CCNc1ccc(c(c1)I)Br 34a_100000750459_200009817547 [0,2,0,0,0,0|2,0,0]=4 6938 B12R1.385 O=CCNc1ccc(c(c1)I)Cl 34a_100012360549_200009817547 [0,2,0,0,0,0|2,0,0]=4 6939 B12R1.385 O=CCNc1ccc(c(c1)I)F 34a_114828291077_200009817547 [0,2,0,0,0,0|2,0,0]=4 6940 B12R1.385 O=CCNc1ccc(c(c1)I)F 7a_114828291077_200015260668 [0,2,0,0,0,0|2,0,0]=4 6941 B12R1.385 O=CCNc1ccc(c(c1)O)Cl 34a_100011934209_200009817547 [0,2,0,0,0,0|2,0,0]=4 6942 B12R1.385 O=CCNc1ccc(c(c1)O)F 34a_100012017398_200009817547 [0,2,0,0,0,0|2,0,0]=4 6943 B12R1.385 O=CCNc1ccc(c(c1)O)F 7a_100012017398_200015260668 [0,2,0,0,0,0|2,0,0]=4 6944 B12R1.385 O=CCNc1ccc(c(c1)O)O 34a_100102946323_200009817547 [0,2,0,0,0,0|2,0,0]=4 6945 B12R1.385 O=CCOc1cc(c(cn1)Br)Cl 34a_100010369989_200009817547 [0,2,0,0,0,0|2,0,0]=4 6946 B12R1.385 O=CCOc1cc(c(cn1)Cl)Cl 34a_200000099200_200009817547 [0,2,0,0,0,0|2,0,0]=4 6947 B12R1.385 O=CCOc1ccc(c(c1)Br)Cl 34a_100011933957_200009817547 [0,2,0,0,0,0|1,0,0]=3 6948 B12R1.385 O=CCOc1ccc(c(c1)Br)Cl 7a_100011933957_200015260668 [0,2,0,0,0,0|1,0,0]=3 6949 B12R1.385 O=CCOc1ccc(c(c1)Br)F 34a_100000693481_200009817547 [0,2,0,0,0,0|1,0,0]=3 6950 B12R1.385 O=CCOc1ccc(c(c1)Br)F 7a_100000693481_200015260668 [0,2,0,0,0,0|1,0,0]=3 6951 B12R1.385 O=CCOc1ccc(c(c1)Br)I 34a_100000701344_200009817547 [0,2,0,0,0,0|1,0,0]=3 6952 B12R1.385 O=CCOc1ccc(c(c1)Br)I 7a_100000701344_200015260668 [0,2,0,0,0,0|1,0,0]=3 6953 B12R1.385 O=CCOc1ccc(c(c1)Cl)Br 34a_100011215161_200009817547 [0,2,0,0,0,0|1,0,0]=3 6954 B12R1.385 O=CCOc1ccc(c(c1)Cl)Br 7a_100011215161_200015260668 [0,2,0,0,0,0|1,0,0]=3 6955 B12R1.385 O=CCOc1ccc(c(c1)Cl)Cl 34a_100000211054_200009817547 [0,2,0,0,0,0|1,0,0]=3 6956 B12R1.385 O=CCOc1ccc(c(c1)Cl)Cl 7a_100000211054_200015260668 [0,2,0,0,0,0|1,0,0]=3 6957 B12R1.385 O=CCOc1ccc(c(c1)Cl)F 34a_100000211030_200009817547 [0,2,0,0,0,0|1,0,0]=3 6958 B12R1.385 O=CCOc1ccc(c(c1)Cl)F 7a_100000211030_200015260668 [0,2,0,0,0,0|1,0,0]=3 6959 B12R1.385 O=CCOc1ccc(c(c1)Cl)I 34a_100000047559_200009817547 [0,2,0,0,0,0|1,0,0]=3 6960 B12R1.385 O=CCOc1ccc(c(c1)Cl)I 7a_100000047559_200015260668 [0,2,0,0,0,0|1,0,0]=3 6961 B12R1.385 O=CCOc1ccc(c(c1)F)Br 34a_100000755031_200009817547 [0,2,0,0,0,0|1,0,0]=3 6962 B12R1.385 O=CCOc1ccc(c(c1)F)Br 7a_100000755031_200015260668 [0,2,0,0,0,0|1,0,0]=3 6963 B12R1.385 O=CCOc1ccc(c(c1)F)Cl 34a_100000691581_200009817547 [0,2,0,0,0,0|1,0,0]=3 6964 B12R1.385 O=CCOc1ccc(c(c1)F)Cl 7a_100000691581_200015260668 [0,2,0,0,0,0|1,0,0]=3 6965 B12R1.385 O=CCOc1ccc(c(c1)F)F 34a_100000181275_200009817547 [0,2,0,0,0,0|1,0,0]=3 6966 B12R1.385 O=CCOc1ccc(c(c1)F)F 7a_100000181275_200015260668 [0,2,0,0,0,0|1,0,0]=3 6967 B12R1.385 O=CCOc1ccc(c(c1)F)I 34a_100009990212_200009817547 [0,2,0,0,0,0|1,0,0]=3 6968 B12R1.385 O=CCOc1ccc(c(c1)F)I 7a_100009990212_200015260668 [0,2,0,0,0,0|1,0,0]=3 6969 B12R1.385 O=CCOc1ccc(c(c1)I)Br 34a_100012339312_200009817547 [0,2,0,0,0,0|1,0,0]=3 6970 B12R1.385 O=CCOc1ccc(c(c1)I)Br 7a_100012339312_200015260668 [0,2,0,0,0,0|1,0,0]=3 6971 B12R1.385 O=CCOc1ccc(c(c1)I)Cl 34a_100000049588_200009817547 [0,2,0,0,0,0|1,0,0]=3 6972 B12R1.385 O=CCOc1ccc(c(c1)I)Cl 7a_100000049588_200015260668 [0,2,0,0,0,0|1,0,0]=3 6973 B12R1.385 O=CCOc1ccc(c(n1)F)Br 34a_100009879308_200009817547 [0,2,0,0,0,0|2,0,0]=4 6974 B12R1.385 O=CCOc1cnc(c(c1)Br)Cl 34a_100012356455_200009817547 [0,2,0,0,0,0|2,0,0]=4 6975 B12R1.385 O=CCOc1cnc(c(c1)Br)Cl 7a_100012356455_200015260668 [0,2,0,0,0,0|2,0,0]=4 6976 B12R1.385 O=CCOc1cnc(c(c1)Br)F 34a_100009817267_200009817547 [0,2,0,0,0,0|2,0,0]=4 6977 B12R1.385 O=CCOc1cnc(c(c1)Br)F 7a_100009817267_200015260668 [0,2,0,0,0,0|2,0,0]=4 6978 B12R1.385 O=CCOc1cnc(c(c1)Cl)Br 34a_100010209684_200009817547 [0,2,0,0,0,0|2,0,0]=4 6979 B12R1.385 O=CCOc1cnc(c(c1)Cl)Br 7a_100010209684_200015260668 [0,2,0,0,0,0|2,0,0]=4 6980 B12R1.385 O=CCOc1cnc(c(c1)Cl)Cl 34a_100000094354_200009817547 [0,2,0,0,0,0|2,0,0]=4 6981 B12R1.385 O=CCOc1cnc(c(c1)Cl)Cl 7a_100000094354_200015260668 [0,2,0,0,0,0|2,0,0]=4 6982 B12R1.385 O=CCOc1cnc(c(c1)Cl)F 34a_100000087088_200009817547 [0,2,0,0,0,0|2,0,0]=4 6983 B12R1.385 O=CCOc1cnc(c(c1)Cl)F 7a_100000087088_200015260668 [0,2,0,0,0,0|2,0,0]=4 6984 B12R1.385 O=CCOc1cnc(c(c1)F)Cl 34a_100000063512_200009817547 [0,2,0,0,0,0|2,0,0]=4 6985 B12R1.385 O=CCOc1cnc(c(c1)F)Cl 7a_100000063512_200015260668 [0,2,0,0,0,0|2,0,0]=4 6986 B12R1.385 O=CCSc1ccc(c(c1)Br)Br 62a_100012356285_200015260668 [0,2,0,0,0,0|1,1,0]=4 6987 B12R1.385 O=CCSc1ccc(c(c1)Br)Br 62a_200015260668_100012356285 [0,2,0,0,0,0|1,1,0]=4 6988 B12R1.385 O=CCSc1ccc(c(c1)Br)Cl 62a_100012353702_200015260668 [0,2,0,0,0,0|1,1,0]=4 6989 B12R1.385 O=CCSc1ccc(c(c1)Br)Cl 62a_200015260668_100012353702 [0,2,0,0,0,0|1,1,0]=4 6990 B12R1.385 O=CCSc1ccc(c(c1)Br)F 62a_100012047266_200015260668 [0,2,0,0,0,0|1,1,0]=4 6991 B12R1.385 O=CCSc1ccc(c(c1)Br)F 62a_200015260668_100012047266 [0,2,0,0,0,0|1,1,0]=4 6992 B12R1.385 O=CCSc1ccc(c(c1)Br)O 62a_100012361655_200015260668 [0,2,0,0,0,0|1,1,0]=4 6993 B12R1.385 O=CCSc1ccc(c(c1)Br)O 62a_200015260668_100012361655 [0,2,0,0,0,0|1,1,0]=4 6994 B12R1.385 O=CCSc1ccc(c(c1)Cl)Br 62a_100012047281_200015260668 [0,2,0,0,0,0|1,1,0]=4 6995 B12R1.385 O=CCSc1ccc(c(c1)Cl)Br 62a_200015260668_100012047281 [0,2,0,0,0,0|1,1,0]=4 6996 B12R1.385 O=CCSc1ccc(c(c1)Cl)Cl 62a_100011214914_200015260668 [0,2,0,0,0,0|1,1,0]=4 6997 B12R1.385 O=CCSc1ccc(c(c1)Cl)Cl 62a_200015260668_100011214914 [0,2,0,0,0,0|1,1,0]=4 6998 B12R1.385 O=CCSc1ccc(c(c1)Cl)F 62a_100011215976_200015260668 [0,2,0,0,0,0|1,1,0]=4 6999 B12R1.385 O=CCSc1ccc(c(c1)Cl)F 62a_200015260668_100011215976 [0,2,0,0,0,0|1,1,0]=4 7000 B12R1.385 O=CCSc1ccc(c(c1)Cl)O 62a_100012360047_200015260668 [0,2,0,0,0,0|1,1,0]=4 7001 B12R1.385 O=CCSc1ccc(c(c1)Cl)O 62a_200015260668_100012360047 [0,2,0,0,0,0|1,1,0]=4 7002 B12R1.385 O=CCSc1ccc(c(c1)F)Br 62a_100000685389_200015260668 [0,2,0,0,0,0|1,1,0]=4 7003 B12R1.385 O=CCSc1ccc(c(c1)F)Br 62a_200015260668_100000685389 [0,2,0,0,0,0|1,1,0]=4 7004 B12R1.385 O=CCSc1ccc(c(c1)F)Cl 62a_100011216805_200015260668 [0,2,0,0,0,0|1,1,0]=4 7005 B12R1.385 O=CCSc1ccc(c(c1)F)Cl 62a_200015260668_100011216805 [0,2,0,0,0,0|1,1,0]=4 7006 B12R1.385 O=CCSc1ccc(c(c1)F)F 62a_100000703953_200015260668 [0,2,0,0,0,0|1,1,0]=4 7007 B12R1.385 O=CCSc1ccc(c(c1)F)F 62a_200015260668_100000703953 [0,2,0,0,0,0|1,1,0]=4 7008 B12R1.385 O=CCSc1ccc(c(c1)F)O 62a_100000185481_200015260668 [0,2,0,0,0,0|1,1,0]=4 7009 B12R1.385 O=CCSc1ccc(c(c1)F)O 62a_200015260668_100000185481 [0,2,0,0,0,0|1,1,0]=4 7010 B12R1.385 O=CCSc1ccc(c(c1)O)Br 62a_100012356990_200015260668 [0,2,0,0,0,0|1,1,0]=4 7011 B12R1.385 O=CCSc1ccc(c(c1)O)Br 62a_200015260668_100012356990 [0,2,0,0,0,0|1,1,0]=4 7012 B12R1.385 O=CCSc1ccc(c(c1)O)Cl 62a_100011356854_200015260668 [0,2,0,0,0,0|1,1,0]=4 7013 B12R1.385 O=CCSc1ccc(c(c1)O)Cl 62a_200015260668_100011356854 [0,2,0,0,0,0|1,1,0]=4 7014 B12R1.385 O=CCSc1ccc(c(c1)O)F 62a_100000686035_200015260668 [0,2,0,0,0,0|1,1,0]=4 7015 B12R1.385 O=CCSc1ccc(c(c1)O)F 62a_200015260668_100000686035 [0,2,0,0,0,0|1,1,0]=4 7016 B12R1.385 O=CCSc1ccc(c(c1)O)O 62a_200015260668_100009813601 [0,2,0,0,0,0|1,1,0]=4 7017 B12R1.385 OCCOc1ccc(c(c1)Br)Cl 34a_100011933957_100000211926 [0,2,0,0,0,0|1,0,1]=4 7018 B12R1.385 OCCOc1ccc(c(c1)Br)Cl 7a_100011933957_100000211926 [0,2,0,0,0,0|1,0,1]=4 7019 B12R1.385 OCCOc1ccc(c(c1)Br)F 34a_100000693481_100000211926 [0,2,0,0,0,0|1,0,1]=4 7020 B12R1.385 OCCOc1ccc(c(c1)Br)F 7a_100000693481_100000211926 [0,2,0,0,0,0|1,0,1]=4 7021 B12R1.385 OCCOc1ccc(c(c1)Br)I 34a_100000701344_100000211926 [0,2,0,0,0,0|1,0,1]=4 7022 B12R1.385 OCCOc1ccc(c(c1)Br)I 7a_100000701344_100000211926 [0,2,0,0,0,0|1,0,1]=4 7023 B12R1.385 OCCOc1ccc(c(c1)Cl)Br 34a_100011215161_100000211926 [0,2,0,0,0,0|1,0,1]=4 7024 B12R1.385 OCCOc1ccc(c(c1)Cl)Br 7a_100011215161_100000211926 [0,2,0,0,0,0|1,0,1]=4 7025 B12R1.385 OCCOc1ccc(c(c1)Cl)Cl 34a_100000211054_100000211926 [0,2,0,0,0,0|1,0,1]=4 7026 B12R1.385 OCCOc1ccc(c(c1)Cl)Cl 7a_100000211054_100000211926 [0,2,0,0,0,0|1,0,1]=4 7027 B12R1.385 OCCOc1ccc(c(c1)Cl)F 34a_100000211030_100000211926 [0,2,0,0,0,0|1,0,1]=4 7028 B12R1.385 OCCOc1ccc(c(c1)Cl)F 7a_100000211030_100000211926 [0,2,0,0,0,0|1,0,1]=4 7029 B12R1.385 OCCOc1ccc(c(c1)Cl)I 34a_100000047559_100000211926 [0,2,0,0,0,0|1,0,1]=4 7030 B12R1.385 OCCOc1ccc(c(c1)Cl)I 7a_100000047559_100000211926 [0,2,0,0,0,0|1,0,1]=4 7031 B12R1.385 OCCOc1ccc(c(c1)F)Br 34a_100000755031_100000211926 [0,2,0,0,0,0|1,0,1]=4 7032 B12R1.385 OCCOc1ccc(c(c1)F)Br 7a_100000755031_100000211926 [0,2,0,0,0,0|1,0,1]=4 7033 B12R1.385 OCCOc1ccc(c(c1)F)Cl 34a_100000691581_100000211926 [0,2,0,0,0,0|1,0,1]=4 7034 B12R1.385 OCCOc1ccc(c(c1)F)Cl 7a_100000691581_100000211926 [0,2,0,0,0,0|1,0,1]=4 7035 B12R1.385 OCCOc1ccc(c(c1)F)F 34a_100000181275_100000211926 [0,2,0,0,0,0|1,0,1]=4 7036 B12R1.385 OCCOc1ccc(c(c1)F)F 7a_100000181275_100000211926 [0,2,0,0,0,0|1,0,1]=4 7037 B12R1.385 OCCOc1ccc(c(c1)F)I 34a_100009990212_100000211926 [0,2,0,0,0,0|1,0,1]=4 7038 B12R1.385 OCCOc1ccc(c(c1)F)I 7a_100009990212_100000211926 [0,2,0,0,0,0|1,0,1]=4 7039 B12R1.385 OCCOc1ccc(c(c1)I)Br 34a_100012339312_100000211926 [0,2,0,0,0,0|1,0,1]=4 7040 B12R1.385 OCCOc1ccc(c(c1)I)Br 7a_100012339312_100000211926 [0,2,0,0,0,0|1,0,1]=4 7041 B12R1.385 OCCOc1ccc(c(c1)I)Cl 34a_100000049588_100000211926 [0,2,0,0,0,0|1,0,1]=4 7042 B12R1.385 OCCOc1ccc(c(c1)I)Cl 7a_100000049588_100000211926 [0,2,0,0,0,0|1,0,1]=4 7043 B12R1.3 C=CCC(OC)c1ccccc1 34a_100000687291_200000210301 [0,2,0,0,0,0|1,0,0]=3 7044 B12R1.3 C=CCC(OC)c1ccccc1 7a_100000687291_200000210301 [0,2,0,0,0,0|1,0,0]=3 7045 B12R1.3 C=CCC(O[13CH3])c1ccccc1 34a_100000687291_200025704644 [0,2,0,0,0,0|1,0,0]=3 7046 B12R1.3 C=CCC(O[13CH3])c1ccccc1 7a_100000687291_200025704644 [0,2,0,0,0,0|1,0,0]=3 7047 B12R1.3 C=CCN(CC)c1ccccc1 2230a_100000210013_100000210623 [0,2,0,0,0,0|1,0,0]=3 7048 B12R1.3 C=CCN(CC)c1ccccc1 2230a_100000211662_100000210202 [0,2,0,0,0,0|1,0,0]=3 7049 B12R1.3 C=CCN(CC)c1ccccc1 269982a_100000210013_100000210623 [0,2,0,0,0,0|1,0,0]=3 7050 B12R1.3 C=CCN(CC)c1ccccc1 269982a_100000211662_100000204670 [0,2,0,0,0,0|1,0,0]=3 7051 B12R1.3 C=CCN(CC)c1ccccc1 34a_100000210013_100015514636 [0,2,0,0,0,0|1,0,0]=3 7052 B12R1.3 C=CCN(CC)c1ccccc1 34a_100000211662_100000210202 [0,2,0,0,0,0|1,0,0]=3 7053 B12R1.3 C=CCN(CF)c1ccccc1 269982a_100000211662_100015361967 [0,2,0,0,0,0|1,0,0]=3 7054 B12R1.3 C=CCN(CF)c1ccccc1 34a_100000211662_100015361967 [0,2,0,0,0,0|1,0,0]=3 7055 B12R1.3 CCN(CC=O)c1ccccc1 2230a_100000210013_200015260668 [0,2,0,0,0,0|2,0,0]=4 7056 B12R1.3 CCN(CC=O)c1ccccc1 269982a_100000210013_200015260668 [0,2,0,0,0,0|2,0,0]=4 7057 B12R1.3 CCN(CC=O)c1ccccc1 34a_100000210013_200009817547 [0,2,0,0,0,0|2,0,0]=4 7058 B12R1.17 C=CCC(=O)c1cccc(c1)Br 1458a_100000210664_100000210623 [0,2,0,0,0,0|1,0,0]=3 7059 B12R1.17 C=CCC(=O)c1cccc(c1)C 1458a_100000189346_100000210623 [0,2,0,0,0,0|1,0,0]=3 7060 B12R1.17 C=CCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000210623 [0,2,0,0,0,0|1,0,0]=3 7061 B12R1.17 C=CCC(=O)c1cccc(c1)F 1458a_100000210950_100000210623 [0,2,0,0,0,0|1,0,0]=3 7062 B12R1.17 C=CCC(=O)c1cccc(c1)I 1458a_100000184098_100000210623 [0,2,0,0,0,0|1,0,0]=3 7063 B12R1.17 C=CCC(=O)c1cccc(c1)O 1458a_100000183914_100000210623 [0,2,0,0,0,0|1,0,0]=3 7064 B12R1.17 C=CCN(C)c1cccc(c1)Br 2230a_100000219648_100000210623 [0,2,0,0,0,0|1,0,0]=3 7065 B12R1.17 C=CCN(C)c1cccc(c1)Br 269982a_100000219648_100000210623 [0,2,0,0,0,0|1,0,0]=3 7066 B12R1.17 C=CCN(C)c1cccc(c1)Br 34a_100000219648_100015514636 [0,2,0,0,0,0|1,0,0]=3 7067 B12R1.17 C=CCN(C)c1cccc(c1)C 2230a_100000219674_100000210623 [0,2,0,0,0,0|1,0,0]=3 7068 B12R1.17 C=CCN(C)c1cccc(c1)C 269982a_100000219674_100000210623 [0,2,0,0,0,0|1,0,0]=3 7069 B12R1.17 C=CCN(C)c1cccc(c1)C 34a_100000219674_100015514636 [0,2,0,0,0,0|1,0,0]=3 7070 B12R1.17 C=CCN(C)c1cccc(c1)Cl 2230a_100000220044_100000210623 [0,2,0,0,0,0|1,0,0]=3 7071 B12R1.17 C=CCN(C)c1cccc(c1)Cl 269982a_100000220044_100000210623 [0,2,0,0,0,0|1,0,0]=3 7072 B12R1.17 C=CCN(C)c1cccc(c1)Cl 34a_100000220044_100015514636 [0,2,0,0,0,0|1,0,0]=3 7073 B12R1.17 C=CCN(C)c1cccc(c1)F 2230a_100020633736_100000210623 [0,2,0,0,0,0|1,0,0]=3 7074 B12R1.17 C=CCN(C)c1cccc(c1)F 269982a_100020633736_100000210623 [0,2,0,0,0,0|1,0,0]=3 7075 B12R1.17 C=CCN(C)c1cccc(c1)F 34a_100020633736_100015514636 [0,2,0,0,0,0|1,0,0]=3 7076 B12R1.17 C=CCN(C)c1cccc(c1)I 2230a_100000221217_100000210623 [0,2,0,0,0,0|1,0,0]=3 7077 B12R1.17 C=CCN(C)c1cccc(c1)I 269982a_100000221217_100000210623 [0,2,0,0,0,0|1,0,0]=3 7078 B12R1.17 C=CCN(C)c1cccc(c1)I 34a_100000221217_100015514636 [0,2,0,0,0,0|1,0,0]=3 7079 B12R1.17 C=CCN(C)c1cccc(c1)O 2230a_100000756613_100000210623 [0,2,0,0,0,0|1,0,0]=3 7080 B12R1.17 C=CCN(C)c1cccc(c1)O 269982a_100000756613_100000210623 [0,2,0,0,0,0|1,0,0]=3 7081 B12R1.17 C=CCN(C)c1cccc(c1)O 34a_100000756613_100015514636 [0,2,0,0,0,0|1,0,0]=3 7082 B12R1.17 CN(CC=O)c1cccc(c1)Br 2230a_100000219648_200015260668 [0,2,0,0,0,0|2,0,0]=4 7083 B12R1.17 CN(CC=O)c1cccc(c1)Br 269982a_100000219648_200015260668 [0,2,0,0,0,0|2,0,0]=4 7084 B12R1.17 CN(CC=O)c1cccc(c1)Br 34a_100000219648_200009817547 [0,2,0,0,0,0|2,0,0]=4 7085 B12R1.17 CN(CC=O)c1cccc(c1)Cl 2230a_100000220044_200015260668 [0,2,0,0,0,0|2,0,0]=4 7086 B12R1.17 CN(CC=O)c1cccc(c1)Cl 269982a_100000220044_200015260668 [0,2,0,0,0,0|2,0,0]=4 7087 B12R1.17 CN(CC=O)c1cccc(c1)Cl 34a_100000220044_200009817547 [0,2,0,0,0,0|2,0,0]=4 7088 B12R1.17 CN(CC=O)c1cccc(c1)F 2230a_100020633736_200015260668 [0,2,0,0,0,0|2,0,0]=4 7089 B12R1.17 CN(CC=O)c1cccc(c1)F 269982a_100020633736_200015260668 [0,2,0,0,0,0|2,0,0]=4 7090 B12R1.17 CN(CC=O)c1cccc(c1)F 34a_100020633736_200009817547 [0,2,0,0,0,0|2,0,0]=4 7091 B12R1.17 CN(CC=O)c1cccc(c1)I 2230a_100000221217_200015260668 [0,2,0,0,0,0|2,0,0]=4 7092 B12R1.17 CN(CC=O)c1cccc(c1)I 269982a_100000221217_200015260668 [0,2,0,0,0,0|2,0,0]=4 7093 B12R1.17 CN(CC=O)c1cccc(c1)I 34a_100000221217_200009817547 [0,2,0,0,0,0|2,0,0]=4 7094 B12R1.17 CN(CC=O)c1cccc(c1)O 2230a_100000756613_200015260668 [0,2,0,0,0,0|2,0,0]=4 7095 B12R1.17 CN(CC=O)c1cccc(c1)O 269982a_100000756613_200015260668 [0,2,0,0,0,0|2,0,0]=4 7096 B12R1.17 CN(CC=O)c1cccc(c1)O 34a_100000756613_200009817547 [0,2,0,0,0,0|2,0,0]=4 7097 B12R1.17 Cc1cccc(c1)N(C)CC=O 2230a_100000219674_200015260668 [0,2,0,0,0,0|2,0,0]=4 7098 B12R1.17 Cc1cccc(c1)N(C)CC=O 269982a_100000219674_200015260668 [0,2,0,0,0,0|2,0,0]=4 7099 B12R1.17 Cc1cccc(c1)N(C)CC=O 34a_100000219674_200009817547 [0,2,0,0,0,0|2,0,0]=4 7100 B12R1.30 C#CCOC(C)c1ccccc1 34a_100000210247_100000211855 [0,2,0,0,0,0|0,0,2]=4 7101 B12R1.30 C#CCO[C@H](C)c1ccccc1 34a_100000761318_100000184674 [0,2,0,0,0,0|0,0,2]=4 7102 B12R1.30 C#CCO[C@H](C)c1ccccc1 7a_100000761318_100000038162 [0,2,0,0,0,0|0,0,2]=4 7103 B12R1.30 C/C=C/CC(=O)c1ccccc1 1458a_100000185807_100102629194 [0,2,0,0,0,0|1,0,0]=3 7104 B12R1.30 C/C=C/CN(C)c1ccccc1 269982a_100000210012_100102629194 [0,2,0,0,0,0|1,0,0]=3 7105 B12R1.30 C/C=C/CN(C)c1ccccc1 34a_100000210012_100102629194 [0,2,0,0,0,0|1,0,0]=3 7106 B12R1.30 C=CCCC(=O)c1ccccc1 1458a_100000185807_100000754431 [0,2,0,0,0,0|1,0,0]=3 7107 B12R1.30 C=CCCN(C)c1ccccc1 2230a_100000210012_100000754431 [0,2,0,0,0,0|1,0,0]=3 7108 B12R1.30 C=CCCN(C)c1ccccc1 269982a_100000210012_100000754431 [0,2,0,0,0,0|1,0,0]=3 7109 B12R1.30 C=CCCN(C)c1ccccc1 34a_100000210012_100000754431 [0,2,0,0,0,0|1,0,0]=3 7110 B12R1.30 C=CCNC(=O)c1ccccc1 1626a_100020586998_100000185807 [0,2,0,0,0,0|1,0,0]=3 7111 B12R1.30 C=CCNC(=O)c1ccccc1 240690a_100020586998_100000185807 [0,2,0,0,0,0|1,0,0]=3 7112 B12R1.30 C=CCNC(=O)c1ccccc1 527a_100020586998_100000185807 [0,2,0,0,0,0|1,0,0]=3 7113 B12R1.30 C=CCNC(C)c1ccccc1 2230a_100020586998_100000230085 [0,2,0,0,0,0|1,0,0]=3 7114 B12R1.30 C=CCNC(C)c1ccccn1 2230a_100000181244_100000210623 [0,2,0,0,0,0|2,0,0]=4 7115 B12R1.30 C=CCNC(C)c1cccnc1 2230a_100000195435_100000210623 [0,2,0,0,0,0|2,0,0]=4 7116 B12R1.30 C=CCNC(C)c1ccncc1 2230a_100000181269_100000210623 [0,2,0,0,0,0|2,0,0]=4 7117 B12R1.30 C=CCN[C@H](C)c1ccccc1 2230a_100000751104_100000210623 [0,2,0,0,0,0|1,0,0]=3 7118 B12R1.30 C=CCOC(C)c1ccccc1 34a_200000210373_100000211855 [0,2,0,0,0,0|0,0,0]=2 7119 B12R1.30 C=CCO[C@H](C)c1ccccc1 34a_100000761318_100015514636 [0,2,0,0,0,0|0,0,0]=2 7120 B12R1.30 C=CCO[C@H](C)c1ccccc1 7a_100000761318_100015514636 [0,2,0,0,0,0|0,0,0]=2 7121 B12R1.30 C=CCSC(C)c1ccccc1 62a_100000210623_100000230085 [0,2,0,0,0,0|0,1,0]=3 7122 B12R1.30 C=CCSC(C)c1ccccc1 62a_100000230085_100000210623 [0,2,0,0,0,0|0,1,0]=3 7123 B12R1.30 CC(OCCBr)c1ccccc1 34a_100000211926_100000211855 [0,2,0,0,0,0|1,0,1]=4 7124 B12R1.30 CC(OCCN)c1ccccc1 34a_100000210304_100000211855 [0,2,0,0,0,0|1,0,1]=4 7125 B12R1.30 CC(SCC=O)c1ccccc1 62a_100000230085_200015260668 [0,2,0,0,0,0|1,1,0]=4 7126 B12R1.30 CC(SCC=O)c1ccccc1 62a_200015260668_100000230085 [0,2,0,0,0,0|1,1,0]=4 7127 B12R1.30 CC=CCC(=O)c1ccccc1 1458a_100000185807_100000070051 [0,2,0,0,0,0|1,0,0]=3 7128 B12R1.30 CC=CCN(C)c1ccccc1 2230a_100000210012_100000070051 [0,2,0,0,0,0|1,0,0]=3 7129 B12R1.30 CC=CCN(C)c1ccccc1 34a_100000210012_100000070051 [0,2,0,0,0,0|1,0,0]=3 7130 B12R1.30 CCCOC(C)c1ccccc1 34a_100000210258_100000211855 [0,2,0,0,0,0|0,0,2]=4 7131 B12R1.30 CCCO[C@H](C)c1ccccc1 34a_100000761318_100000210303 [0,2,0,0,0,0|0,0,2]=4 7132 B12R1.30 CCCO[C@H](C)c1ccccc1 7a_100000761318_100000210303 [0,2,0,0,0,0|0,0,2]=4 7133 B12R1.30 CNCOC(=O)c1ccccc1 7a_106832991635_100000073877 [0,2,0,0,0,0|1,0,1]=4 7134 B12R1.30 CSCOC(=O)c1ccccc1 62a_100000073877_200000210301 [0,2,0,0,0,0|1,0,1]=4 7135 B12R1.30 CSCOC(=O)c1ccccc1 62a_200000210301_100000073877 [0,2,0,0,0,0|1,0,1]=4 7136 B12R1.30 CSCO[C@H](C)c1ccccc1 34a_100000761318_100011218213 [0,2,0,0,0,0|1,0,1]=4 7137 B12R1.30 C[C@@H](NCC=O)c1ccccc1 2230a_100000751104_200015260668 [0,2,0,0,0,0|2,0,0]=4 7138 B12R1.30 C[C@@H](OCC#N)c1ccccc1 7a_100000761318_100011215382 [0,2,0,0,0,0|1,0,1]=4 7139 B12R1.30 C[C@@H](OCC=O)c1ccccc1 34a_100000761318_200009817547 [0,2,0,0,0,0|1,0,0]=3 7140 B12R1.30 C[C@@H](OCC=O)c1ccccc1 7a_100000761318_200015260668 [0,2,0,0,0,0|1,0,0]=3 7141 B12R1.30 C[C@@H](OCCF)c1ccccc1 34a_100000761318_100011217306 [0,2,0,0,0,0|1,0,1]=4 7142 B12R1.30 C[C@@H](OCCF)c1ccccc1 7a_100000761318_100011217306 [0,2,0,0,0,0|1,0,1]=4 7143 B12R1.30 C[C@@H](OCCO)c1ccccc1 34a_100000761318_100000211926 [0,2,0,0,0,0|1,0,1]=4 7144 B12R1.30 C[C@@H](OCCO)c1ccccc1 7a_100000761318_100000211926 [0,2,0,0,0,0|1,0,1]=4 7145 B12R1.30 [13CH3]SCOC(=O)c1ccccc1 62a_100000073877_200025704644 [0,2,0,0,0,0|1,0,1]=4 7146 B12R1.30 [13CH3]SCOC(=O)c1ccccc1 62a_200025704644_100000073877 [0,2,0,0,0,0|1,0,1]=4 7147 B12R1.34 C=CC(=O)C(C)c1ccccc1 1458a_100000185746_100000230085 [0,2,0,0,0,0|1,0,1]=4 7148 B12R1.34 C=CC(=O)N(C)c1ccccc1 1626a_100000210012_100000185746 [0,2,0,0,0,0|1,0,1]=4 7149 B12R1.34 C=CC(=O)N(C)c1ccccc1 22a_100000210012_100000185746 [0,2,0,0,0,0|1,0,1]=4 7150 B12R1.34 C=CC(C)N(C)c1ccccc1 269982a_100000210012_100011215867 [0,2,0,0,0,0|1,0,0]=3 7151 B12R1.107 C=C(C)CC(=O)c1ccccc1 1458a_100000185807_100000748629 [0,2,0,0,0,0|1,0,0]=3 7152 B12R1.107 C=C(C)CN(C)c1ccccc1 2230a_100000210012_100000748629 [0,2,0,0,0,0|1,0,0]=3 7153 B12R1.107 C=C(C)CN(C)c1ccccc1 269982a_100000210012_100000748629 [0,2,0,0,0,0|1,0,0]=3 7154 B12R1.107 C=C(C)CN(C)c1ccccc1 34a_100000210012_100000748629 [0,2,0,0,0,0|1,0,0]=3 7155 B12R1.107 C=C(F)CC(=O)c1ccccc1 1458a_100000185807_100009893438 [0,2,0,0,0,0|1,0,0]=3 7156 B12R1.107 C=C(F)CN(C)c1ccccc1 2230a_100000210012_100009893438 [0,2,0,0,0,0|1,0,0]=3 7157 B12R1.107 C=C(F)CN(C)c1ccccc1 269982a_100000210012_100009893438 [0,2,0,0,0,0|1,0,0]=3 7158 B12R1.107 C=C(F)CN(C)c1ccccc1 34a_100000210012_100009893438 [0,2,0,0,0,0|1,0,0]=3 7159 B12R1.107 CC(=O)CC(=O)c1ccccc1 1458a_100000070787_100000211460 [0,2,0,0,0,0|1,0,1]=4 7160 B12R1.107 CC(=O)CC(C)c1ccccc1 1458a_100000070787_100000756946 [0,2,0,0,0,0|1,0,1]=4 7161 B12R1.107 CC(=O)CC(C)c1ccccc1 1458a_100000183687_200000210301 [0,2,0,0,0,0|1,0,1]=4 7162 B12R1.107 CC(=O)CC(O)c1ccccc1 1458a_100000070787_100000185958 [0,2,0,0,0,0|1,0,1]=4 7163 B12R1.107 CC(=O)CC(O)c1ccccc1 1458a_100000690199_200000210301 [0,2,0,0,0,0|1,0,1]=4 7164 B12R1.107 CC(=O)CN(C)c1ccccc1 1458a_100000745425_200000210301 [0,2,0,0,0,0|1,0,1]=4 7165 B12R1.107 CC(=O)C[C@@H](O)c1ccccc1 1458a_100000070787_100011933945 [0,2,0,0,0,0|1,0,1]=4 7166 B12R1.107 CC(CC(=O)[13CH3])c1ccccc1 1458a_100000183687_200025704644 [0,2,0,0,0,0|1,0,1]=4 7167 B12R1.107 CN(CC(=O)N)c1ccccc1 2230a_100000210012_100000747473 [0,2,0,0,0,0|2,0,0]=4 7168 B12R1.107 CN(CC(=O)N)c1ccccc1 2230a_100000212578_200000210301 [0,2,0,0,0,0|2,0,0]=4 7169 B12R1.107 CN(CC(=O)N)c1ccccc1 269982a_100000210012_100000187820 [0,2,0,0,0,0|2,0,0]=4 7170 B12R1.107 CN(CC(=O)N)c1ccccc1 269982a_100000212578_200000210301 [0,2,0,0,0,0|2,0,0]=4 7171 B12R1.107 CN(CC(=O)N)c1ccccc1 34a_100000210012_100000187820 [0,2,0,0,0,0|2,0,0]=4 7172 B12R1.107 CN(CC(=O)O)c1ccccc1 269956a_100000212060_200000210301 [0,2,0,0,0,0|2,0,0]=4 7173 B12R1.107 CN(CC(=O)[13CH3])c1ccccc1 1458a_100000745425_200025704644 [0,2,0,0,0,0|1,0,1]=4 7174 B12R1.107 CN(CC(=O)[O-])c1ccccc1 269982a_100000210012_100020667443 [0,2,0,0,0,0|2,0,0]=4 7175 B12R1.107 CN(CC(=O)[O-])c1ccccc1 34a_100000210012_100020667443 [0,2,0,0,0,0|2,0,0]=4 7176 B12R1.107 NC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000187820 [0,2,0,0,0,0|2,0,0]=4 7177 B12R1.107 O=C([O-])CC(=O)c1ccccc1 1458a_100000185807_100020667443 [0,2,0,0,0,0|2,0,0]=4 7178 B12R1.107 [13CH3]C(=O)CC(O)c1ccccc1 1458a_100000690199_200025704644 [0,2,0,0,0,0|1,0,1]=4 7179 B12R1.107 [13CH3]N(CC(=O)N)c1ccccc1 2230a_100000212578_200025704644 [0,2,0,0,0,0|2,0,0]=4 7180 B12R1.107 [13CH3]N(CC(=O)N)c1ccccc1 269982a_100000212578_200025704644 [0,2,0,0,0,0|2,0,0]=4 7181 B12R1.107 [13CH3]N(CC(=O)O)c1ccccc1 269956a_100000212060_200025704644 [0,2,0,0,0,0|2,0,0]=4 7182 B12R1.308 C=CCC(=O)c1ccccc1Br 1458a_100000188424_100000210623 [0,2,0,0,0,0|1,0,0]=3 7183 B12R1.308 C=CCC(=O)c1ccccc1C 1458a_100000212026_100000210623 [0,2,0,0,0,0|1,0,0]=3 7184 B12R1.308 C=CCC(=O)c1ccccc1Cl 1458a_100000185844_100000210623 [0,2,0,0,0,0|1,0,0]=3 7185 B12R1.308 C=CCC(=O)c1ccccc1F 1458a_100000188656_100000210623 [0,2,0,0,0,0|1,0,0]=3 7186 B12R1.308 C=CCC(=O)c1ccccc1I 1458a_100000187884_100000210623 [0,2,0,0,0,0|1,0,0]=3 7187 B12R1.308 C=CCC(=O)c1ccccc1O 1458a_100015234032_100000210623 [0,2,0,0,0,0|1,0,0]=3 7188 B12R1.308 C=CCC(=O)c1ccccc1[O-] 1458a_100009911694_100000210623 [0,2,0,0,0,0|1,0,0]=3 7189 B12R1.308 C=CCN(C)c1ccccc1Br 2230a_100020606079_100000210623 [0,2,0,0,0,0|1,0,0]=3 7190 B12R1.308 C=CCN(C)c1ccccc1Br 269982a_100020606079_100000210623 [0,2,0,0,0,0|1,0,0]=3 7191 B12R1.308 C=CCN(C)c1ccccc1Br 34a_100020606079_100015514636 [0,2,0,0,0,0|1,0,0]=3 7192 B12R1.308 C=CCN(C)c1ccccc1C 2230a_100000219699_100000210623 [0,2,0,0,0,0|1,0,0]=3 7193 B12R1.308 C=CCN(C)c1ccccc1C 269982a_100000219699_100000210623 [0,2,0,0,0,0|1,0,0]=3 7194 B12R1.308 C=CCN(C)c1ccccc1C 34a_100000219699_100015514636 [0,2,0,0,0,0|1,0,0]=3 7195 B12R1.308 C=CCN(C)c1ccccc1Cl 2230a_100000219374_100000210623 [0,2,0,0,0,0|1,0,0]=3 7196 B12R1.308 C=CCN(C)c1ccccc1Cl 269982a_100000219374_100000210623 [0,2,0,0,0,0|1,0,0]=3 7197 B12R1.308 C=CCN(C)c1ccccc1Cl 34a_100000219374_100015514636 [0,2,0,0,0,0|1,0,0]=3 7198 B12R1.308 C=CCN(C)c1ccccc1F 2230a_100000220357_100000210623 [0,2,0,0,0,0|1,0,0]=3 7199 B12R1.308 C=CCN(C)c1ccccc1F 269982a_100000220357_100000210623 [0,2,0,0,0,0|1,0,0]=3 7200 B12R1.308 C=CCN(C)c1ccccc1F 34a_100000220357_100015514636 [0,2,0,0,0,0|1,0,0]=3 7201 B12R1.308 C=CCN(C)c1ccccc1F 38a_100000220357_100000210623 [0,2,0,0,0,0|1,0,0]=3 7202 B12R1.308 C=CCN(C)c1ccccc1O 269982a_100000033821_100000210623 [0,2,0,0,0,0|1,0,0]=3 7203 B12R1.308 CN(CC=O)c1ccccc1Br 2230a_100020606079_200015260668 [0,2,0,0,0,0|2,0,0]=4 7204 B12R1.308 CN(CC=O)c1ccccc1Br 269982a_100020606079_200015260668 [0,2,0,0,0,0|2,0,0]=4 7205 B12R1.308 CN(CC=O)c1ccccc1Br 34a_100020606079_200009817547 [0,2,0,0,0,0|2,0,0]=4 7206 B12R1.308 CN(CC=O)c1ccccc1Cl 2230a_100000219374_200015260668 [0,2,0,0,0,0|2,0,0]=4 7207 B12R1.308 CN(CC=O)c1ccccc1Cl 269982a_100000219374_200015260668 [0,2,0,0,0,0|2,0,0]=4 7208 B12R1.308 CN(CC=O)c1ccccc1Cl 34a_100000219374_200009817547 [0,2,0,0,0,0|2,0,0]=4 7209 B12R1.308 CN(CC=O)c1ccccc1F 2230a_100000220357_200015260668 [0,2,0,0,0,0|2,0,0]=4 7210 B12R1.308 CN(CC=O)c1ccccc1F 269982a_100000220357_200015260668 [0,2,0,0,0,0|2,0,0]=4 7211 B12R1.308 CN(CC=O)c1ccccc1F 34a_100000220357_200009817547 [0,2,0,0,0,0|2,0,0]=4 7212 B12R1.308 CN(CC=O)c1ccccc1O 269982a_100000033821_200015260668 [0,2,0,0,0,0|2,0,0]=4 7213 B12R1.308 Cc1ccccc1N(C)CC=O 2230a_100000219699_200015260668 [0,2,0,0,0,0|2,0,0]=4 7214 B12R1.308 Cc1ccccc1N(C)CC=O 269982a_100000219699_200015260668 [0,2,0,0,0,0|2,0,0]=4 7215 B12R1.308 Cc1ccccc1N(C)CC=O 34a_100000219699_200009817547 [0,2,0,0,0,0|2,0,0]=4 7216 B12R1.25 C#CCOc1cccc(c1Br)Br 34a_100010187966_100000184674 [0,2,0,0,0,0|0,0,2]=4 7217 B12R1.25 C#CCOc1cccc(c1Br)Br 7a_100010187966_100000038162 [0,2,0,0,0,0|0,0,2]=4 7218 B12R1.25 C#CCOc1cccc(c1Br)C 34a_100000686692_100000184674 [0,2,0,0,0,0|0,0,2]=4 7219 B12R1.25 C#CCOc1cccc(c1Br)C 7a_100000686692_100000038162 [0,2,0,0,0,0|0,0,2]=4 7220 B12R1.25 C#CCOc1cccc(c1Br)Cl 34a_100012348804_100000184674 [0,2,0,0,0,0|0,0,2]=4 7221 B12R1.25 C#CCOc1cccc(c1Br)Cl 7a_100012348804_100000038162 [0,2,0,0,0,0|0,0,2]=4 7222 B12R1.25 C#CCOc1cccc(c1Br)F 34a_100009820682_100000184674 [0,2,0,0,0,0|0,0,2]=4 7223 B12R1.25 C#CCOc1cccc(c1Br)F 7a_100009820682_100000038162 [0,2,0,0,0,0|0,0,2]=4 7224 B12R1.25 C#CCOc1cccc(c1Br)I 34a_100010187914_100000184674 [0,2,0,0,0,0|0,0,2]=4 7225 B12R1.25 C#CCOc1cccc(c1Br)I 7a_100010187914_100000038162 [0,2,0,0,0,0|0,0,2]=4 7226 B12R1.25 C#CCOc1cccc(c1Br)N 34a_100012183704_100000184674 [0,2,0,0,0,0|0,0,2]=4 7227 B12R1.25 C#CCOc1cccc(c1Br)N 7a_100012183704_100000038162 [0,2,0,0,0,0|0,0,2]=4 7228 B12R1.25 C#CCOc1cccc(c1C)Br 34a_100012002258_100000184674 [0,2,0,0,0,0|0,0,2]=4 7229 B12R1.25 C#CCOc1cccc(c1C)Br 7a_100012002258_100000038162 [0,2,0,0,0,0|0,0,2]=4 7230 B12R1.25 C#CCOc1cccc(c1C)C 34a_100000185855_100000184674 [0,2,0,0,0,0|0,0,2]=4 7231 B12R1.25 C#CCOc1cccc(c1C)C 7a_100000185855_100000038162 [0,2,0,0,0,0|0,0,2]=4 7232 B12R1.25 C#CCOc1cccc(c1C)Cl 34a_100011265684_100000184674 [0,2,0,0,0,0|0,0,2]=4 7233 B12R1.25 C#CCOc1cccc(c1C)Cl 7a_100011265684_100000038162 [0,2,0,0,0,0|0,0,2]=4 7234 B12R1.25 C#CCOc1cccc(c1C)F 34a_100011217231_100000184674 [0,2,0,0,0,0|0,0,2]=4 7235 B12R1.25 C#CCOc1cccc(c1C)F 7a_100011217231_100000038162 [0,2,0,0,0,0|0,0,2]=4 7236 B12R1.25 C#CCOc1cccc(c1C)N 34a_100011216573_100000184674 [0,2,0,0,0,0|0,0,2]=4 7237 B12R1.25 C#CCOc1cccc(c1C)N 7a_100011216573_100000038162 [0,2,0,0,0,0|0,0,2]=4 7238 B12R1.25 C#CCOc1cccc(c1Cl)Br 34a_100010187913_100000184674 [0,2,0,0,0,0|0,0,2]=4 7239 B12R1.25 C#CCOc1cccc(c1Cl)Br 7a_100010187913_100000038162 [0,2,0,0,0,0|0,0,2]=4 7240 B12R1.25 C#CCOc1cccc(c1Cl)C 34a_100000695629_100000184674 [0,2,0,0,0,0|0,0,2]=4 7241 B12R1.25 C#CCOc1cccc(c1Cl)C 7a_100000695629_100000038162 [0,2,0,0,0,0|0,0,2]=4 7242 B12R1.25 C#CCOc1cccc(c1Cl)Cl 34a_100000211076_100000184674 [0,2,0,0,0,0|0,0,2]=4 7243 B12R1.25 C#CCOc1cccc(c1Cl)Cl 7a_100000211076_100000038162 [0,2,0,0,0,0|0,0,2]=4 7244 B12R1.25 C#CCOc1cccc(c1Cl)F 34a_100000087408_100000184674 [0,2,0,0,0,0|0,0,2]=4 7245 B12R1.25 C#CCOc1cccc(c1Cl)F 7a_100000087408_100000038162 [0,2,0,0,0,0|0,0,2]=4 7246 B12R1.25 C#CCOc1cccc(c1Cl)I 34a_100000049636_100000184674 [0,2,0,0,0,0|0,0,2]=4 7247 B12R1.25 C#CCOc1cccc(c1Cl)I 7a_100000049636_100000038162 [0,2,0,0,0,0|0,0,2]=4 7248 B12R1.25 C#CCOc1cccc(c1Cl)N 34a_100012002038_100000184674 [0,2,0,0,0,0|0,0,2]=4 7249 B12R1.25 C#CCOc1cccc(c1Cl)N 7a_100012002038_100000038162 [0,2,0,0,0,0|0,0,2]=4 7250 B12R1.25 C#CCOc1cccc(c1F)Br 34a_100009817021_100000184674 [0,2,0,0,0,0|0,0,2]=4 7251 B12R1.25 C#CCOc1cccc(c1F)Br 7a_100009817021_100000038162 [0,2,0,0,0,0|0,0,2]=4 7252 B12R1.25 C#CCOc1cccc(c1F)C 34a_100000751311_100000184674 [0,2,0,0,0,0|0,0,2]=4 7253 B12R1.25 C#CCOc1cccc(c1F)C 7a_100000751311_100000038162 [0,2,0,0,0,0|0,0,2]=4 7254 B12R1.25 C#CCOc1cccc(c1F)Cl 34a_100000687438_100000184674 [0,2,0,0,0,0|0,0,2]=4 7255 B12R1.25 C#CCOc1cccc(c1F)Cl 7a_100000687438_100000038162 [0,2,0,0,0,0|0,0,2]=4 7256 B12R1.25 C#CCOc1cccc(c1F)F 34a_100000751161_100000184674 [0,2,0,0,0,0|0,0,2]=4 7257 B12R1.25 C#CCOc1cccc(c1F)F 7a_100000751161_100000038162 [0,2,0,0,0,0|0,0,2]=4 7258 B12R1.25 C#CCOc1cccc(c1I)Br 34a_100010187912_100000184674 [0,2,0,0,0,0|0,0,2]=4 7259 B12R1.25 C#CCOc1cccc(c1I)Br 7a_100010187912_100000038162 [0,2,0,0,0,0|0,0,2]=4 7260 B12R1.25 C#CCOc1cccc(c1I)C 34a_100010083724_100000184674 [0,2,0,0,0,0|0,0,2]=4 7261 B12R1.25 C#CCOc1cccc(c1I)C 7a_100010083724_100000038162 [0,2,0,0,0,0|0,0,2]=4 7262 B12R1.25 C#CCOc1cccc(c1I)Cl 34a_100000050174_100000184674 [0,2,0,0,0,0|0,0,2]=4 7263 B12R1.25 C#CCOc1cccc(c1I)Cl 7a_100000050174_100000038162 [0,2,0,0,0,0|0,0,2]=4 7264 B12R1.25 C#CCOc1cccc(c1I)F 34a_100000690913_100000184674 [0,2,0,0,0,0|0,0,2]=4 7265 B12R1.25 C#CCOc1cccc(c1I)F 7a_100000690913_100000038162 [0,2,0,0,0,0|0,0,2]=4 7266 B12R1.25 C#CCOc1cccc(c1N)Br 34a_100011934926_100000184674 [0,2,0,0,0,0|0,0,2]=4 7267 B12R1.25 C#CCOc1cccc(c1N)Br 7a_100011934926_100000038162 [0,2,0,0,0,0|0,0,2]=4 7268 B12R1.25 C#CCOc1cccc(c1N)C 34a_100000743429_100000184674 [0,2,0,0,0,0|0,0,2]=4 7269 B12R1.25 C#CCOc1cccc(c1N)C 7a_100000743429_100000038162 [0,2,0,0,0,0|0,0,2]=4 7270 B12R1.25 C#CCOc1cccc(c1N)Cl 34a_100012022510_100000184674 [0,2,0,0,0,0|0,0,2]=4 7271 B12R1.25 C#CCOc1cccc(c1N)Cl 7a_100012022510_100000038162 [0,2,0,0,0,0|0,0,2]=4 7272 B12R1.25 C#CCOc1cccc(c1N)F 34a_100020591140_100000184674 [0,2,0,0,0,0|0,0,2]=4 7273 B12R1.25 C#CCOc1cccc(c1N)F 7a_100020591140_100000038162 [0,2,0,0,0,0|0,0,2]=4 7274 B12R1.25 C#CCOc1cccc(c1N)I 34a_200000049512_100000184674 [0,2,0,0,0,0|0,0,2]=4 7275 B12R1.25 C#CCOc1cccc(c1N)I 7a_200000049512_100000038162 [0,2,0,0,0,0|0,0,2]=4 7276 B12R1.25 C#CCOc1cccc(c1N)N 34a_100000033209_100000184674 [0,2,0,0,0,0|0,0,2]=4 7277 B12R1.25 C=CCNc1cccc(c1Br)C 34a_100000684715_100015514636 [0,2,0,0,0,0|1,0,0]=3 7278 B12R1.25 C=CCNc1cccc(c1Br)Cl 34a_100000687072_100015514636 [0,2,0,0,0,0|1,0,0]=3 7279 B12R1.25 C=CCNc1cccc(c1Br)F 34a_100011934729_100015514636 [0,2,0,0,0,0|1,0,0]=3 7280 B12R1.25 C=CCNc1cccc(c1Br)O 34a_100012183704_100015514636 [0,2,0,0,0,0|1,0,0]=3 7281 B12R1.25 C=CCNc1cccc(c1Br)O 7a_100012183704_100015514636 [0,2,0,0,0,0|1,0,0]=3 7282 B12R1.25 C=CCNc1cccc(c1C)Br 34a_100000750434_100015514636 [0,2,0,0,0,0|1,0,0]=3 7283 B12R1.25 C=CCNc1cccc(c1C)C 2230a_100000210026_100000210623 [0,2,0,0,0,0|1,0,0]=3 7284 B12R1.25 C=CCNc1cccc(c1C)C 34a_100000210026_100015514636 [0,2,0,0,0,0|1,0,0]=3 7285 B12R1.25 C=CCNc1cccc(c1C)C 7a_100000210026_100015514636 [0,2,0,0,0,0|1,0,0]=3 7286 B12R1.25 C=CCNc1cccc(c1C)Cl 2230a_100000210441_100000210623 [0,2,0,0,0,0|1,0,0]=3 7287 B12R1.25 C=CCNc1cccc(c1C)Cl 34a_100000210441_100015514636 [0,2,0,0,0,0|1,0,0]=3 7288 B12R1.25 C=CCNc1cccc(c1C)Cl 7a_100000210441_100015514636 [0,2,0,0,0,0|1,0,0]=3 7289 B12R1.25 C=CCNc1cccc(c1C)F 34a_100000745574_100015514636 [0,2,0,0,0,0|1,0,0]=3 7290 B12R1.25 C=CCNc1cccc(c1C)F 7a_100000745574_100015514636 [0,2,0,0,0,0|1,0,0]=3 7291 B12R1.25 C=CCNc1cccc(c1C)I 34a_100000761887_100015514636 [0,2,0,0,0,0|1,0,0]=3 7292 B12R1.25 C=CCNc1cccc(c1C)O 34a_100011216573_100015514636 [0,2,0,0,0,0|1,0,0]=3 7293 B12R1.25 C=CCNc1cccc(c1C)O 7a_100011216573_100015514636 [0,2,0,0,0,0|1,0,0]=3 7294 B12R1.25 C=CCNc1cccc(c1Cl)Br 34a_100000687075_100015514636 [0,2,0,0,0,0|1,0,0]=3 7295 B12R1.25 C=CCNc1cccc(c1Cl)C 34a_100000765562_100015514636 [0,2,0,0,0,0|1,0,0]=3 7296 B12R1.25 C=CCNc1cccc(c1Cl)C 7a_100000765562_100015514636 [0,2,0,0,0,0|1,0,0]=3 7297 B12R1.25 C=CCNc1cccc(c1Cl)Cl 34a_100000185733_100015514636 [0,2,0,0,0,0|1,0,0]=3 7298 B12R1.25 C=CCNc1cccc(c1Cl)F 34a_100000692321_100015514636 [0,2,0,0,0,0|1,0,0]=3 7299 B12R1.25 C=CCNc1cccc(c1Cl)O 34a_100012002038_100015514636 [0,2,0,0,0,0|1,0,0]=3 7300 B12R1.25 C=CCNc1cccc(c1Cl)O 7a_100012002038_100015514636 [0,2,0,0,0,0|1,0,0]=3 7301 B12R1.25 C=CCNc1cccc(c1F)Br 2230a_100011935091_100000210623 [0,2,0,0,0,0|1,0,0]=3 7302 B12R1.25 C=CCNc1cccc(c1F)Br 34a_100011935091_100015514636 [0,2,0,0,0,0|1,0,0]=3 7303 B12R1.25 C=CCNc1cccc(c1F)C 2230a_100000697159_100000210623 [0,2,0,0,0,0|1,0,0]=3 7304 B12R1.25 C=CCNc1cccc(c1F)C 34a_100000697159_100015514636 [0,2,0,0,0,0|1,0,0]=3 7305 B12R1.25 C=CCNc1cccc(c1F)C 7a_100000697159_100015514636 [0,2,0,0,0,0|1,0,0]=3 7306 B12R1.25 C=CCNc1cccc(c1F)Cl 2230a_100000199060_100000210623 [0,2,0,0,0,0|1,0,0]=3 7307 B12R1.25 C=CCNc1cccc(c1F)Cl 34a_100000199060_100015514636 [0,2,0,0,0,0|1,0,0]=3 7308 B12R1.25 C=CCNc1cccc(c1F)F 34a_100000743855_100015514636 [0,2,0,0,0,0|1,0,0]=3 7309 B12R1.25 C=CCNc1cccc(c1I)Br 34a_100020590159_100015514636 [0,2,0,0,0,0|1,0,0]=3 7310 B12R1.25 C=CCNc1cccc(c1I)C 34a_100000761888_100015514636 [0,2,0,0,0,0|1,0,0]=3 7311 B12R1.25 C=CCNc1cccc(c1I)Cl 34a_100000049713_100015514636 [0,2,0,0,0,0|1,0,0]=3 7312 B12R1.25 C=CCNc1cccc(c1I)F 34a_100000690935_100015514636 [0,2,0,0,0,0|1,0,0]=3 7313 B12R1.25 C=CCNc1cccc(c1O)Br 34a_100011934915_100015514636 [0,2,0,0,0,0|1,0,0]=3 7314 B12R1.25 C=CCNc1cccc(c1O)C 34a_100000756359_100015514636 [0,2,0,0,0,0|1,0,0]=3 7315 B12R1.25 C=CCNc1cccc(c1O)Cl 34a_100000754742_100015514636 [0,2,0,0,0,0|1,0,0]=3 7316 B12R1.25 C=CCNc1cccc(c1O)F 34a_100011934987_100015514636 [0,2,0,0,0,0|1,0,0]=3 7317 B12R1.25 C=CCNc1ccnc(c1Br)F 27a_100020586998_100010006599 [0,2,0,0,0,0|2,0,0]=4 7318 B12R1.25 C=CCNc1ccnc(c1C)F 27a_100020586998_100010006593 [0,2,0,0,0,0|2,0,0]=4 7319 B12R1.25 C=CCNc1ccnc(c1Cl)C 27a_100020586998_100000698670 [0,2,0,0,0,0|2,0,0]=4 7320 B12R1.25 C=CCNc1ccnc(c1Cl)F 27a_100020586998_100010067886 [0,2,0,0,0,0|2,0,0]=4 7321 B12R1.25 C=CCNc1ccnc(c1F)C 27a_100020586998_100009849794 [0,2,0,0,0,0|2,0,0]=4 7322 B12R1.25 C=CCNc1ccnc(c1F)F 27a_100020586998_100010214882 [0,2,0,0,0,0|2,0,0]=4 7323 B12R1.25 C=CCNc1nccc(c1C)F 27a_100020586998_100009846374 [0,2,0,0,0,0|2,0,0]=4 7324 B12R1.25 C=CCOc1cccc(c1Br)Br 34a_100010187966_100015514636 [0,2,0,0,0,0|0,0,0]=2 7325 B12R1.25 C=CCOc1cccc(c1Br)Br 7a_100010187966_100015514636 [0,2,0,0,0,0|0,0,0]=2 7326 B12R1.25 C=CCOc1cccc(c1Br)C 34a_100000686692_100015514636 [0,2,0,0,0,0|0,0,0]=2 7327 B12R1.25 C=CCOc1cccc(c1Br)C 7a_100000686692_100015514636 [0,2,0,0,0,0|0,0,0]=2 7328 B12R1.25 C=CCOc1cccc(c1Br)Cl 34a_100012348804_100015514636 [0,2,0,0,0,0|0,0,0]=2 7329 B12R1.25 C=CCOc1cccc(c1Br)Cl 7a_100012348804_100015514636 [0,2,0,0,0,0|0,0,0]=2 7330 B12R1.25 C=CCOc1cccc(c1Br)F 34a_100009820682_100015514636 [0,2,0,0,0,0|0,0,0]=2 7331 B12R1.25 C=CCOc1cccc(c1Br)F 7a_100009820682_100015514636 [0,2,0,0,0,0|0,0,0]=2 7332 B12R1.25 C=CCOc1cccc(c1Br)I 34a_100010187914_100015514636 [0,2,0,0,0,0|0,0,0]=2 7333 B12R1.25 C=CCOc1cccc(c1Br)I 7a_100010187914_100015514636 [0,2,0,0,0,0|0,0,0]=2 7334 B12R1.25 C=CCOc1cccc(c1Br)N 34a_100012183704_100015514636 [0,2,0,0,0,0|0,0,0]=2 7335 B12R1.25 C=CCOc1cccc(c1Br)N 7a_100012183704_100015514636 [0,2,0,0,0,0|0,0,0]=2 7336 B12R1.25 C=CCOc1cccc(c1C)Br 34a_100012002258_100015514636 [0,2,0,0,0,0|0,0,0]=2 7337 B12R1.25 C=CCOc1cccc(c1C)Br 7a_100012002258_100015514636 [0,2,0,0,0,0|0,0,0]=2 7338 B12R1.25 C=CCOc1cccc(c1C)C 34a_100000185855_100015514636 [0,2,0,0,0,0|0,0,0]=2 7339 B12R1.25 C=CCOc1cccc(c1C)C 7a_100000185855_100015514636 [0,2,0,0,0,0|0,0,0]=2 7340 B12R1.25 C=CCOc1cccc(c1C)Cl 34a_100011265684_100015514636 [0,2,0,0,0,0|0,0,0]=2 7341 B12R1.25 C=CCOc1cccc(c1C)Cl 7a_100011265684_100015514636 [0,2,0,0,0,0|0,0,0]=2 7342 B12R1.25 C=CCOc1cccc(c1C)F 34a_100011217231_100015514636 [0,2,0,0,0,0|0,0,0]=2 7343 B12R1.25 C=CCOc1cccc(c1C)F 7a_100011217231_100015514636 [0,2,0,0,0,0|0,0,0]=2 7344 B12R1.25 C=CCOc1cccc(c1C)N 34a_100011216573_100015514636 [0,2,0,0,0,0|0,0,0]=2 7345 B12R1.25 C=CCOc1cccc(c1C)N 7a_100011216573_100015514636 [0,2,0,0,0,0|0,0,0]=2 7346 B12R1.25 C=CCOc1cccc(c1Cl)Br 34a_100010187913_100015514636 [0,2,0,0,0,0|0,0,0]=2 7347 B12R1.25 C=CCOc1cccc(c1Cl)Br 7a_100010187913_100015514636 [0,2,0,0,0,0|0,0,0]=2 7348 B12R1.25 C=CCOc1cccc(c1Cl)C 34a_100000695629_100015514636 [0,2,0,0,0,0|0,0,0]=2 7349 B12R1.25 C=CCOc1cccc(c1Cl)C 7a_100000695629_100015514636 [0,2,0,0,0,0|0,0,0]=2 7350 B12R1.25 C=CCOc1cccc(c1Cl)Cl 34a_100000211076_100015514636 [0,2,0,0,0,0|0,0,0]=2 7351 B12R1.25 C=CCOc1cccc(c1Cl)Cl 7a_100000211076_100015514636 [0,2,0,0,0,0|0,0,0]=2 7352 B12R1.25 C=CCOc1cccc(c1Cl)F 34a_100000087408_100015514636 [0,2,0,0,0,0|0,0,0]=2 7353 B12R1.25 C=CCOc1cccc(c1Cl)F 7a_100000087408_100015514636 [0,2,0,0,0,0|0,0,0]=2 7354 B12R1.25 C=CCOc1cccc(c1Cl)I 34a_100000049636_100015514636 [0,2,0,0,0,0|0,0,0]=2 7355 B12R1.25 C=CCOc1cccc(c1Cl)I 7a_100000049636_100015514636 [0,2,0,0,0,0|0,0,0]=2 7356 B12R1.25 C=CCOc1cccc(c1Cl)N 34a_100012002038_100015514636 [0,2,0,0,0,0|0,0,0]=2 7357 B12R1.25 C=CCOc1cccc(c1Cl)N 7a_100012002038_100015514636 [0,2,0,0,0,0|0,0,0]=2 7358 B12R1.25 C=CCOc1cccc(c1F)Br 34a_100009817021_100015514636 [0,2,0,0,0,0|0,0,0]=2 7359 B12R1.25 C=CCOc1cccc(c1F)Br 7a_100009817021_100015514636 [0,2,0,0,0,0|0,0,0]=2 7360 B12R1.25 C=CCOc1cccc(c1F)C 34a_100000751311_100015514636 [0,2,0,0,0,0|0,0,0]=2 7361 B12R1.25 C=CCOc1cccc(c1F)C 7a_100000751311_100015514636 [0,2,0,0,0,0|0,0,0]=2 7362 B12R1.25 C=CCOc1cccc(c1F)Cl 34a_100000687438_100015514636 [0,2,0,0,0,0|0,0,0]=2 7363 B12R1.25 C=CCOc1cccc(c1F)Cl 7a_100000687438_100015514636 [0,2,0,0,0,0|0,0,0]=2 7364 B12R1.25 C=CCOc1cccc(c1F)F 34a_100000751161_100015514636 [0,2,0,0,0,0|0,0,0]=2 7365 B12R1.25 C=CCOc1cccc(c1F)F 7a_100000751161_100015514636 [0,2,0,0,0,0|0,0,0]=2 7366 B12R1.25 C=CCOc1cccc(c1I)Br 34a_100010187912_100015514636 [0,2,0,0,0,0|0,0,0]=2 7367 B12R1.25 C=CCOc1cccc(c1I)Br 7a_100010187912_100015514636 [0,2,0,0,0,0|0,0,0]=2 7368 B12R1.25 C=CCOc1cccc(c1I)C 34a_100010083724_100015514636 [0,2,0,0,0,0|0,0,0]=2 7369 B12R1.25 C=CCOc1cccc(c1I)C 7a_100010083724_100015514636 [0,2,0,0,0,0|0,0,0]=2 7370 B12R1.25 C=CCOc1cccc(c1I)Cl 34a_100000050174_100015514636 [0,2,0,0,0,0|0,0,0]=2 7371 B12R1.25 C=CCOc1cccc(c1I)Cl 7a_100000050174_100015514636 [0,2,0,0,0,0|0,0,0]=2 7372 B12R1.25 C=CCOc1cccc(c1I)F 34a_100000690913_100015514636 [0,2,0,0,0,0|0,0,0]=2 7373 B12R1.25 C=CCOc1cccc(c1I)F 7a_100000690913_100015514636 [0,2,0,0,0,0|0,0,0]=2 7374 B12R1.25 C=CCOc1cccc(c1N)Br 34a_100011934926_100015514636 [0,2,0,0,0,0|0,0,0]=2 7375 B12R1.25 C=CCOc1cccc(c1N)Br 7a_100011934926_100015514636 [0,2,0,0,0,0|0,0,0]=2 7376 B12R1.25 C=CCOc1cccc(c1N)C 34a_100000743429_100015514636 [0,2,0,0,0,0|0,0,0]=2 7377 B12R1.25 C=CCOc1cccc(c1N)C 7a_100000743429_100015514636 [0,2,0,0,0,0|0,0,0]=2 7378 B12R1.25 C=CCOc1cccc(c1N)Cl 34a_100012022510_100015514636 [0,2,0,0,0,0|0,0,0]=2 7379 B12R1.25 C=CCOc1cccc(c1N)Cl 7a_100012022510_100015514636 [0,2,0,0,0,0|0,0,0]=2 7380 B12R1.25 C=CCOc1cccc(c1N)F 34a_100020591140_100015514636 [0,2,0,0,0,0|0,0,0]=2 7381 B12R1.25 C=CCOc1cccc(c1N)F 7a_100020591140_100015514636 [0,2,0,0,0,0|0,0,0]=2 7382 B12R1.25 C=CCOc1cccc(c1N)I 34a_200000049512_100015514636 [0,2,0,0,0,0|0,0,0]=2 7383 B12R1.25 C=CCOc1cccc(c1N)I 7a_200000049512_100015514636 [0,2,0,0,0,0|0,0,0]=2 7384 B12R1.25 C=CCOc1cccc(c1N)N 34a_100000033209_100015514636 [0,2,0,0,0,0|0,0,0]=2 7385 B12R1.25 C=CCOc1cccn(c1=O)C 34a_100000117616_100015514636 [0,2,0,0,0,0|1,0,0]=3 7386 B12R1.25 C=CCOc1cccn(c1=O)C 7a_100000117616_100015514636 [0,2,0,0,0,0|1,0,0]=3 7387 B12R1.25 C=CCOc1ccnc(c1Br)Cl 34a_100010136240_100015514636 [0,2,0,0,0,0|1,0,0]=3 7388 B12R1.25 C=CCOc1ccnc(c1Cl)Cl 34a_100009860235_100015514636 [0,2,0,0,0,0|1,0,0]=3 7389 B12R1.25 C=CCOc1ccnc(c1F)Br 34a_100009876375_100015514636 [0,2,0,0,0,0|1,0,0]=3 7390 B12R1.25 C=CCOc1ccnc(c1F)Cl 34a_100009856406_100015514636 [0,2,0,0,0,0|1,0,0]=3 7391 B12R1.25 C=CCOc1ccnc(c1N)Cl 34a_100000128729_100015514636 [0,2,0,0,0,0|1,0,0]=3 7392 B12R1.25 C=CCOc1nccc(c1Br)C 34a_100012000493_100015514636 [0,2,0,0,0,0|1,0,0]=3 7393 B12R1.25 C=CCOc1nccc(c1C)Br 34a_100009858498_100015514636 [0,2,0,0,0,0|1,0,0]=3 7394 B12R1.25 C=CCOc1nccc(c1Cl)N 34a_200000093555_100015514636 [0,2,0,0,0,0|1,0,0]=3 7395 B12R1.25 C=CCOc1ncnc(c1C)C 34a_100000697798_100015514636 [0,2,0,0,0,0|2,0,0]=4 7396 B12R1.25 C=CCOc1ncnc(c1C)Cl 34a_100011912821_100015514636 [0,2,0,0,0,0|2,0,0]=4 7397 B12R1.25 C=CCSc1cccc(=O)n1C 62a_100000210623_100000726605 [0,2,0,0,0,0|1,1,0]=4 7398 B12R1.25 C=CCSc1cccc(=O)n1C 62a_100000726605_100000210623 [0,2,0,0,0,0|1,1,0]=4 7399 B12R1.25 C=CCSc1cccc(c1Br)Br 62a_100000210623_100010175083 [0,2,0,0,0,0|0,1,0]=3 7400 B12R1.25 C=CCSc1cccc(c1Br)Br 62a_100010175083_100000210623 [0,2,0,0,0,0|0,1,0]=3 7401 B12R1.25 C=CCSc1cccc(c1Br)C 62a_100000210623_100012362457 [0,2,0,0,0,0|0,1,0]=3 7402 B12R1.25 C=CCSc1cccc(c1Br)C 62a_100012362457_100000210623 [0,2,0,0,0,0|0,1,0]=3 7403 B12R1.25 C=CCSc1cccc(c1Br)Cl 62a_100000210623_100014021842 [0,2,0,0,0,0|0,1,0]=3 7404 B12R1.25 C=CCSc1cccc(c1Br)Cl 62a_100014021842_100000210623 [0,2,0,0,0,0|0,1,0]=3 7405 B12R1.25 C=CCSc1cccc(c1Br)F 62a_100000210623_100010202630 [0,2,0,0,0,0|0,1,0]=3 7406 B12R1.25 C=CCSc1cccc(c1Br)F 62a_100010202630_100000210623 [0,2,0,0,0,0|0,1,0]=3 7407 B12R1.25 C=CCSc1cccc(c1Br)O 62a_100000210623_100010187914 [0,2,0,0,0,0|0,1,0]=3 7408 B12R1.25 C=CCSc1cccc(c1Br)O 62a_100010187914_100000210623 [0,2,0,0,0,0|0,1,0]=3 7409 B12R1.25 C=CCSc1cccc(c1C)Br 62a_100000210623_100012353703 [0,2,0,0,0,0|0,1,0]=3 7410 B12R1.25 C=CCSc1cccc(c1C)Br 62a_100012353703_100000210623 [0,2,0,0,0,0|0,1,0]=3 7411 B12R1.25 C=CCSc1cccc(c1C)C 62a_100000210623_100011214922 [0,2,0,0,0,0|0,1,0]=3 7412 B12R1.25 C=CCSc1cccc(c1C)C 62a_100011214922_100000210623 [0,2,0,0,0,0|0,1,0]=3 7413 B12R1.25 C=CCSc1cccc(c1C)Cl 62a_100000210623_100000726075 [0,2,0,0,0,0|0,1,0]=3 7414 B12R1.25 C=CCSc1cccc(c1C)Cl 62a_100000726075_100000210623 [0,2,0,0,0,0|0,1,0]=3 7415 B12R1.25 C=CCSc1cccc(c1C)F 62a_100000210623_100011216893 [0,2,0,0,0,0|0,1,0]=3 7416 B12R1.25 C=CCSc1cccc(c1C)F 62a_100011216893_100000210623 [0,2,0,0,0,0|0,1,0]=3 7417 B12R1.25 C=CCSc1cccc(c1C)N 62a_100000210623_100000761887 [0,2,0,0,0,0|0,1,0]=3 7418 B12R1.25 C=CCSc1cccc(c1C)N 62a_100000761887_100000210623 [0,2,0,0,0,0|0,1,0]=3 7419 B12R1.25 C=CCSc1cccc(c1C)O 62a_100000210623_100012002258 [0,2,0,0,0,0|0,1,0]=3 7420 B12R1.25 C=CCSc1cccc(c1C)O 62a_100012002258_100000210623 [0,2,0,0,0,0|0,1,0]=3 7421 B12R1.25 C=CCSc1cccc(c1Cl)Br 62a_100000210623_100010142854 [0,2,0,0,0,0|0,1,0]=3 7422 B12R1.25 C=CCSc1cccc(c1Cl)Br 62a_100010142854_100000210623 [0,2,0,0,0,0|0,1,0]=3 7423 B12R1.25 C=CCSc1cccc(c1Cl)C 62a_100000210623_200012352035 [0,2,0,0,0,0|0,1,0]=3 7424 B12R1.25 C=CCSc1cccc(c1Cl)C 62a_200012352035_100000210623 [0,2,0,0,0,0|0,1,0]=3 7425 B12R1.25 C=CCSc1cccc(c1Cl)Cl 62a_100000210623_100011215384 [0,2,0,0,0,0|0,1,0]=3 7426 B12R1.25 C=CCSc1cccc(c1Cl)Cl 62a_100011215384_100000210623 [0,2,0,0,0,0|0,1,0]=3 7427 B12R1.25 C=CCSc1cccc(c1Cl)F 62a_100000210623_200010234923 [0,2,0,0,0,0|0,1,0]=3 7428 B12R1.25 C=CCSc1cccc(c1Cl)F 62a_200010234923_100000210623 [0,2,0,0,0,0|0,1,0]=3 7429 B12R1.25 C=CCSc1cccc(c1Cl)O 62a_100000210623_100000049636 [0,2,0,0,0,0|0,1,0]=3 7430 B12R1.25 C=CCSc1cccc(c1F)Br 62a_100000210623_100000702267 [0,2,0,0,0,0|0,1,0]=3 7431 B12R1.25 C=CCSc1cccc(c1F)Br 62a_100000702267_100000210623 [0,2,0,0,0,0|0,1,0]=3 7432 B12R1.25 C=CCSc1cccc(c1F)C 62a_100000210623_100000717567 [0,2,0,0,0,0|0,1,0]=3 7433 B12R1.25 C=CCSc1cccc(c1F)C 62a_100000717567_100000210623 [0,2,0,0,0,0|0,1,0]=3 7434 B12R1.25 C=CCSc1cccc(c1F)Cl 62a_100000210623_100011217346 [0,2,0,0,0,0|0,1,0]=3 7435 B12R1.25 C=CCSc1cccc(c1F)Cl 62a_100011217346_100000210623 [0,2,0,0,0,0|0,1,0]=3 7436 B12R1.25 C=CCSc1cccc(c1F)F 62a_100000210623_100000694657 [0,2,0,0,0,0|0,1,0]=3 7437 B12R1.25 C=CCSc1cccc(c1F)F 62a_100000694657_100000210623 [0,2,0,0,0,0|0,1,0]=3 7438 B12R1.25 C=CCSc1cccc(c1F)N 62a_100000210623_100011935091 [0,2,0,0,0,0|0,1,0]=3 7439 B12R1.25 C=CCSc1cccc(c1F)N 62a_100011935091_100000210623 [0,2,0,0,0,0|0,1,0]=3 7440 B12R1.25 C=CCSc1cccc(c1F)O 62a_100000210623_100009817021 [0,2,0,0,0,0|0,1,0]=3 7441 B12R1.25 C=CCSc1cccc(c1F)O 62a_100009817021_100000210623 [0,2,0,0,0,0|0,1,0]=3 7442 B12R1.25 C=CCSc1cccc(c1N)Br 62a_100000210623_100010146558 [0,2,0,0,0,0|0,1,0]=3 7443 B12R1.25 C=CCSc1cccc(c1N)Br 62a_100010146558_100000210623 [0,2,0,0,0,0|0,1,0]=3 7444 B12R1.25 C=CCSc1cccc(c1N)C 62a_100000210623_100011834072 [0,2,0,0,0,0|0,1,0]=3 7445 B12R1.25 C=CCSc1cccc(c1N)C 62a_100011834072_100000210623 [0,2,0,0,0,0|0,1,0]=3 7446 B12R1.25 C=CCSc1cccc(c1N)Cl 62a_100000210623_100010190421 [0,2,0,0,0,0|0,1,0]=3 7447 B12R1.25 C=CCSc1cccc(c1N)Cl 62a_100010190421_100000210623 [0,2,0,0,0,0|0,1,0]=3 7448 B12R1.25 C=CCSc1cccc(c1N)F 62a_100000042321_100000210623 [0,2,0,0,0,0|0,1,0]=3 7449 B12R1.25 C=CCSc1cccc(c1N)F 62a_100000210623_100000042321 [0,2,0,0,0,0|0,1,0]=3 7450 B12R1.25 C=CCSc1cccc(c1N)N 62a_100015191791_100000210623 [0,2,0,0,0,0|0,1,0]=3 7451 B12R1.25 C=CCSc1cccc(c1N)O 62a_100000210623_100011934926 [0,2,0,0,0,0|0,1,0]=3 7452 B12R1.25 C=CCSc1cccc(c1O)Br 62a_100000210623_100010084509 [0,2,0,0,0,0|0,1,0]=3 7453 B12R1.25 C=CCSc1cccc(c1O)Br 62a_100010084509_100000210623 [0,2,0,0,0,0|0,1,0]=3 7454 B12R1.25 C=CCSc1cccc(c1O)C 62a_100000210623_100009817157 [0,2,0,0,0,0|0,1,0]=3 7455 B12R1.25 C=CCSc1cccc(c1O)C 62a_100009817157_100000210623 [0,2,0,0,0,0|0,1,0]=3 7456 B12R1.25 C=CCSc1cccc(c1O)Cl 62a_100000210623_100010202889 [0,2,0,0,0,0|0,1,0]=3 7457 B12R1.25 C=CCSc1cccc(c1O)Cl 62a_100010202889_100000210623 [0,2,0,0,0,0|0,1,0]=3 7458 B12R1.25 C=CCSc1cccc(c1O)F 62a_100000210623_100009813666 [0,2,0,0,0,0|0,1,0]=3 7459 B12R1.25 C=CCSc1cccc(c1O)F 62a_100009813666_100000210623 [0,2,0,0,0,0|0,1,0]=3 7460 B12R1.25 C=CCSc1cccc(c1O)N 62a_100000210623_100010084371 [0,2,0,0,0,0|0,1,0]=3 7461 B12R1.25 C=CCSc1cccc(c1O)N 62a_100011934915_100000210623 [0,2,0,0,0,0|0,1,0]=3 7462 B12R1.25 C=CCSc1cccc(c1O)O 62a_100000210623_100009815950 [0,2,0,0,0,0|0,1,0]=3 7463 B12R1.25 C=CCSc1cccn(c1=O)C 62a_100000210623_100000687173 [0,2,0,0,0,0|1,1,0]=4 7464 B12R1.25 C=CCSc1cccn(c1=O)C 62a_100000687173_100000210623 [0,2,0,0,0,0|1,1,0]=4 7465 B12R1.25 C=CCSc1ccnc(c1Br)F 62a_100000210623_100010006599 [0,2,0,0,0,0|1,1,0]=4 7466 B12R1.25 C=CCSc1ccnc(c1Br)F 62a_100010006599_100000210623 [0,2,0,0,0,0|1,1,0]=4 7467 B12R1.25 C=CCSc1ccnc(c1C)C 62a_100000210623_100009846815 [0,2,0,0,0,0|1,1,0]=4 7468 B12R1.25 C=CCSc1ccnc(c1C)C 62a_100009846815_100000210623 [0,2,0,0,0,0|1,1,0]=4 7469 B12R1.25 C=CCSc1ccnc(c1C)Cl 62a_100000047055_100000210623 [0,2,0,0,0,0|1,1,0]=4 7470 B12R1.25 C=CCSc1ccnc(c1C)Cl 62a_100000210623_100000047055 [0,2,0,0,0,0|1,1,0]=4 7471 B12R1.25 C=CCSc1ccnc(c1C)F 62a_100000210623_100010006593 [0,2,0,0,0,0|1,1,0]=4 7472 B12R1.25 C=CCSc1ccnc(c1C)F 62a_100010006593_100000210623 [0,2,0,0,0,0|1,1,0]=4 7473 B12R1.25 C=CCSc1ccnc(c1C)N 62a_100000210623_100009865460 [0,2,0,0,0,0|1,1,0]=4 7474 B12R1.25 C=CCSc1ccnc(c1C)N 62a_100009865460_100000210623 [0,2,0,0,0,0|1,1,0]=4 7475 B12R1.25 C=CCSc1ccnc(c1C)O 62a_100000210623_100009858498 [0,2,0,0,0,0|1,1,0]=4 7476 B12R1.25 C=CCSc1ccnc(c1C)O 62a_100009858498_100000210623 [0,2,0,0,0,0|1,1,0]=4 7477 B12R1.25 C=CCSc1ccnc(c1Cl)C 62a_100000210623_100000698670 [0,2,0,0,0,0|1,1,0]=4 7478 B12R1.25 C=CCSc1ccnc(c1Cl)C 62a_100000698670_100000210623 [0,2,0,0,0,0|1,1,0]=4 7479 B12R1.25 C=CCSc1ccnc(c1Cl)Cl 62a_100000210623_100010246212 [0,2,0,0,0,0|1,1,0]=4 7480 B12R1.25 C=CCSc1ccnc(c1Cl)Cl 62a_100010246212_100000210623 [0,2,0,0,0,0|1,1,0]=4 7481 B12R1.25 C=CCSc1ccnc(c1Cl)F 62a_100000210623_100010067886 [0,2,0,0,0,0|1,1,0]=4 7482 B12R1.25 C=CCSc1ccnc(c1Cl)F 62a_100010067886_100000210623 [0,2,0,0,0,0|1,1,0]=4 7483 B12R1.25 C=CCSc1ccnc(c1Cl)N 62a_100000210623_100010735111 [0,2,0,0,0,0|1,1,0]=4 7484 B12R1.25 C=CCSc1ccnc(c1Cl)N 62a_100010735111_100000210623 [0,2,0,0,0,0|1,1,0]=4 7485 B12R1.25 C=CCSc1ccnc(c1F)Br 62a_100000210623_200015269031 [0,2,0,0,0,0|1,1,0]=4 7486 B12R1.25 C=CCSc1ccnc(c1F)Br 62a_200015269031_100000210623 [0,2,0,0,0,0|1,1,0]=4 7487 B12R1.25 C=CCSc1ccnc(c1F)C 62a_100000210623_100009849794 [0,2,0,0,0,0|1,1,0]=4 7488 B12R1.25 C=CCSc1ccnc(c1F)C 62a_100009849794_100000210623 [0,2,0,0,0,0|1,1,0]=4 7489 B12R1.25 C=CCSc1ccnc(c1F)Cl 62a_100000210623_100010150473 [0,2,0,0,0,0|1,1,0]=4 7490 B12R1.25 C=CCSc1ccnc(c1F)Cl 62a_100010150473_100000210623 [0,2,0,0,0,0|1,1,0]=4 7491 B12R1.25 C=CCSc1ccnc(c1F)F 62a_100000210623_100010214882 [0,2,0,0,0,0|1,1,0]=4 7492 B12R1.25 C=CCSc1ccnc(c1F)F 62a_100010214882_100000210623 [0,2,0,0,0,0|1,1,0]=4 7493 B12R1.25 C=CCSc1ccnc(c1F)N 62a_100000210623_100010077785 [0,2,0,0,0,0|1,1,0]=4 7494 B12R1.25 C=CCSc1ccnc(c1F)N 62a_100010077785_100000210623 [0,2,0,0,0,0|1,1,0]=4 7495 B12R1.25 C=CCSc1ccnc(c1N)C 62a_100000210623_100009885578 [0,2,0,0,0,0|1,1,0]=4 7496 B12R1.25 C=CCSc1ccnc(c1N)C 62a_100009885578_100000210623 [0,2,0,0,0,0|1,1,0]=4 7497 B12R1.25 C=CCSc1ccnc(c1N)N 62a_100000124095_100000210623 [0,2,0,0,0,0|1,1,0]=4 7498 B12R1.25 C=CCSc1ccnc(c1O)Cl 62a_100000210623_100010067911 [0,2,0,0,0,0|1,1,0]=4 7499 B12R1.25 C=CCSc1cncc(c1C)Br 62a_100000210623_100010109657 [0,2,0,0,0,0|1,1,0]=4 7500 B12R1.25 C=CCSc1cncc(c1C)Br 62a_100010109657_100000210623 [0,2,0,0,0,0|1,1,0]=4 7501 B12R1.25 C=CCSc1cncc(c1C)C 62a_100000210623_100009864703 [0,2,0,0,0,0|1,1,0]=4 7502 B12R1.25 C=CCSc1cncc(c1C)C 62a_100009864703_100000210623 [0,2,0,0,0,0|1,1,0]=4 7503 B12R1.25 C=CCSc1cncc(c1C)F 62a_100000210623_100009881546 [0,2,0,0,0,0|1,1,0]=4 7504 B12R1.25 C=CCSc1cncc(c1C)F 62a_100009881546_100000210623 [0,2,0,0,0,0|1,1,0]=4 7505 B12R1.25 C=CCSc1cncc(c1C)N 62a_100000210623_100011998293 [0,2,0,0,0,0|1,1,0]=4 7506 B12R1.25 C=CCSc1cncc(c1C)N 62a_100011998293_100000210623 [0,2,0,0,0,0|1,1,0]=4 7507 B12R1.25 C=CCSc1cncc(c1N)Br 62a_100000210623_100011290786 [0,2,0,0,0,0|1,1,0]=4 7508 B12R1.25 C=CCSc1cncc(c1N)Br 62a_100011290786_100000210623 [0,2,0,0,0,0|1,1,0]=4 7509 B12R1.25 C=CCSc1cncc(c1N)C 62a_100000210623_100009818025 [0,2,0,0,0,0|1,1,0]=4 7510 B12R1.25 C=CCSc1cncc(c1N)C 62a_100009818025_100000210623 [0,2,0,0,0,0|1,1,0]=4 7511 B12R1.25 C=CCSc1cncc(c1N)Cl 62a_100000210623_100000684942 [0,2,0,0,0,0|1,1,0]=4 7512 B12R1.25 C=CCSc1cncc(c1N)Cl 62a_100000684942_100000210623 [0,2,0,0,0,0|1,1,0]=4 7513 B12R1.25 C=CCSc1cncc(c1N)F 62a_100000210623_100009880649 [0,2,0,0,0,0|1,1,0]=4 7514 B12R1.25 C=CCSc1cncc(c1N)F 62a_100009880649_100000210623 [0,2,0,0,0,0|1,1,0]=4 7515 B12R1.25 C=CCSc1cncc(c1N)N 62a_100000210623_100000694774 [0,2,0,0,0,0|1,1,0]=4 7516 B12R1.25 C=CCSc1cncc(c1N)N 62a_100000694774_100000210623 [0,2,0,0,0,0|1,1,0]=4 7517 B12R1.25 C=CCSc1cncc(c1O)N 62a_100000210623_100000694263 [0,2,0,0,0,0|1,1,0]=4 7518 B12R1.25 C=CCSc1cncc(c1O)N 62a_100000694263_100000210623 [0,2,0,0,0,0|1,1,0]=4 7519 B12R1.25 C=CCSc1nccc(c1C)C 62a_100000210623_100009847204 [0,2,0,0,0,0|1,1,0]=4 7520 B12R1.25 C=CCSc1nccc(c1C)C 62a_100009847204_100000210623 [0,2,0,0,0,0|1,1,0]=4 7521 B12R1.25 C=CCSc1nccc(c1C)F 62a_100000210623_100009846374 [0,2,0,0,0,0|1,1,0]=4 7522 B12R1.25 C=CCSc1nccc(c1C)F 62a_100009846374_100000210623 [0,2,0,0,0,0|1,1,0]=4 7523 B12R1.25 C=CCSc1nccc(c1C)N 62a_100000210623_100000690622 [0,2,0,0,0,0|1,1,0]=4 7524 B12R1.25 C=CCSc1nccc(c1C)N 62a_100000690622_100000210623 [0,2,0,0,0,0|1,1,0]=4 7525 B12R1.25 C=CCSc1nccc(c1F)C 62a_100000210623_100009817629 [0,2,0,0,0,0|1,1,0]=4 7526 B12R1.25 C=CCSc1nccc(c1F)C 62a_100009817629_100000210623 [0,2,0,0,0,0|1,1,0]=4 7527 B12R1.25 C=CCSc1nccc(c1F)N 62a_100000210623_100015205195 [0,2,0,0,0,0|1,1,0]=4 7528 B12R1.25 C=CCSc1nccc(c1F)N 62a_100015205195_100000210623 [0,2,0,0,0,0|1,1,0]=4 7529 B12R1.25 C=CCSc1nccc(c1F)O 62a_100000210623_100009876375 [0,2,0,0,0,0|1,1,0]=4 7530 B12R1.25 C=CCSc1nccc(c1F)O 62a_100009876375_100000210623 [0,2,0,0,0,0|1,1,0]=4 7531 B12R1.25 C=CCSc1nccc(c1N)C 62a_100000210623_100000763560 [0,2,0,0,0,0|1,1,0]=4 7532 B12R1.25 C=CCSc1nccc(c1N)C 62a_100000763560_100000210623 [0,2,0,0,0,0|1,1,0]=4 7533 B12R1.25 C=CCSc1nccc(c1N)N 62a_100000085203_100000210623 [0,2,0,0,0,0|1,1,0]=4 7534 B12R1.25 C=CCSc1nccc(c1N)N 62a_100000210623_100000085203 [0,2,0,0,0,0|1,1,0]=4 7535 B12R1.25 C=CCSc1nccc(c1O)C 62a_100000210623_100000696282 [0,2,0,0,0,0|1,1,0]=4 7536 B12R1.25 C=CCSc1nccc(c1O)F 62a_100000210623_100009867227 [0,2,0,0,0,0|1,1,0]=4 7537 B12R1.25 C=CCSc1nccc(c1O)N 62a_100000210623_100009844647 [0,2,0,0,0,0|1,1,0]=4 7538 B12R1.25 CCCOc1cccc(c1Br)Br 34a_100010187966_100000210303 [0,2,0,0,0,0|0,0,2]=4 7539 B12R1.25 CCCOc1cccc(c1Br)Br 7a_100010187966_100000210303 [0,2,0,0,0,0|0,0,2]=4 7540 B12R1.25 CCCOc1cccc(c1Br)C 34a_100000686692_100000210303 [0,2,0,0,0,0|0,0,2]=4 7541 B12R1.25 CCCOc1cccc(c1Br)C 7a_100000686692_100000210303 [0,2,0,0,0,0|0,0,2]=4 7542 B12R1.25 CCCOc1cccc(c1Br)Cl 34a_100012348804_100000210303 [0,2,0,0,0,0|0,0,2]=4 7543 B12R1.25 CCCOc1cccc(c1Br)Cl 7a_100012348804_100000210303 [0,2,0,0,0,0|0,0,2]=4 7544 B12R1.25 CCCOc1cccc(c1Br)F 34a_100009820682_100000210303 [0,2,0,0,0,0|0,0,2]=4 7545 B12R1.25 CCCOc1cccc(c1Br)F 7a_100009820682_100000210303 [0,2,0,0,0,0|0,0,2]=4 7546 B12R1.25 CCCOc1cccc(c1Br)I 34a_100010187914_100000210303 [0,2,0,0,0,0|0,0,2]=4 7547 B12R1.25 CCCOc1cccc(c1Br)I 7a_100010187914_100000210303 [0,2,0,0,0,0|0,0,2]=4 7548 B12R1.25 CCCOc1cccc(c1Br)N 34a_100012183704_100000210303 [0,2,0,0,0,0|0,0,2]=4 7549 B12R1.25 CCCOc1cccc(c1Br)N 7a_100012183704_100000210303 [0,2,0,0,0,0|0,0,2]=4 7550 B12R1.25 CCCOc1cccc(c1C)Br 34a_100012002258_100000210303 [0,2,0,0,0,0|0,0,2]=4 7551 B12R1.25 CCCOc1cccc(c1C)Br 7a_100012002258_100000210303 [0,2,0,0,0,0|0,0,2]=4 7552 B12R1.25 CCCOc1cccc(c1C)C 34a_100000185855_100000210303 [0,2,0,0,0,0|0,0,2]=4 7553 B12R1.25 CCCOc1cccc(c1C)C 7a_100000185855_100000210303 [0,2,0,0,0,0|0,0,2]=4 7554 B12R1.25 CCCOc1cccc(c1C)Cl 34a_100011265684_100000210303 [0,2,0,0,0,0|0,0,2]=4 7555 B12R1.25 CCCOc1cccc(c1C)Cl 7a_100011265684_100000210303 [0,2,0,0,0,0|0,0,2]=4 7556 B12R1.25 CCCOc1cccc(c1C)F 34a_100011217231_100000210303 [0,2,0,0,0,0|0,0,2]=4 7557 B12R1.25 CCCOc1cccc(c1C)F 7a_100011217231_100000210303 [0,2,0,0,0,0|0,0,2]=4 7558 B12R1.25 CCCOc1cccc(c1C)N 34a_100011216573_100000210303 [0,2,0,0,0,0|0,0,2]=4 7559 B12R1.25 CCCOc1cccc(c1C)N 7a_100011216573_100000210303 [0,2,0,0,0,0|0,0,2]=4 7560 B12R1.25 CCCOc1cccc(c1Cl)Br 34a_100010187913_100000210303 [0,2,0,0,0,0|0,0,2]=4 7561 B12R1.25 CCCOc1cccc(c1Cl)Br 7a_100010187913_100000210303 [0,2,0,0,0,0|0,0,2]=4 7562 B12R1.25 CCCOc1cccc(c1Cl)C 34a_100000695629_100000210303 [0,2,0,0,0,0|0,0,2]=4 7563 B12R1.25 CCCOc1cccc(c1Cl)C 7a_100000695629_100000210303 [0,2,0,0,0,0|0,0,2]=4 7564 B12R1.25 CCCOc1cccc(c1Cl)Cl 34a_100000211076_100000210303 [0,2,0,0,0,0|0,0,2]=4 7565 B12R1.25 CCCOc1cccc(c1Cl)Cl 7a_100000211076_100000210303 [0,2,0,0,0,0|0,0,2]=4 7566 B12R1.25 CCCOc1cccc(c1Cl)F 34a_100000087408_100000210303 [0,2,0,0,0,0|0,0,2]=4 7567 B12R1.25 CCCOc1cccc(c1Cl)F 7a_100000087408_100000210303 [0,2,0,0,0,0|0,0,2]=4 7568 B12R1.25 CCCOc1cccc(c1Cl)I 34a_100000049636_100000210303 [0,2,0,0,0,0|0,0,2]=4 7569 B12R1.25 CCCOc1cccc(c1Cl)I 7a_100000049636_100000210303 [0,2,0,0,0,0|0,0,2]=4 7570 B12R1.25 CCCOc1cccc(c1Cl)N 34a_100012002038_100000210303 [0,2,0,0,0,0|0,0,2]=4 7571 B12R1.25 CCCOc1cccc(c1Cl)N 7a_100012002038_100000210303 [0,2,0,0,0,0|0,0,2]=4 7572 B12R1.25 CCCOc1cccc(c1F)Br 34a_100009817021_100000210303 [0,2,0,0,0,0|0,0,2]=4 7573 B12R1.25 CCCOc1cccc(c1F)Br 7a_100009817021_100000210303 [0,2,0,0,0,0|0,0,2]=4 7574 B12R1.25 CCCOc1cccc(c1F)C 34a_100000751311_100000210303 [0,2,0,0,0,0|0,0,2]=4 7575 B12R1.25 CCCOc1cccc(c1F)C 7a_100000751311_100000210303 [0,2,0,0,0,0|0,0,2]=4 7576 B12R1.25 CCCOc1cccc(c1F)Cl 34a_100000687438_100000210303 [0,2,0,0,0,0|0,0,2]=4 7577 B12R1.25 CCCOc1cccc(c1F)Cl 7a_100000687438_100000210303 [0,2,0,0,0,0|0,0,2]=4 7578 B12R1.25 CCCOc1cccc(c1F)F 34a_100000751161_100000210303 [0,2,0,0,0,0|0,0,2]=4 7579 B12R1.25 CCCOc1cccc(c1F)F 7a_100000751161_100000210303 [0,2,0,0,0,0|0,0,2]=4 7580 B12R1.25 CCCOc1cccc(c1I)Br 34a_100010187912_100000210303 [0,2,0,0,0,0|0,0,2]=4 7581 B12R1.25 CCCOc1cccc(c1I)Br 7a_100010187912_100000210303 [0,2,0,0,0,0|0,0,2]=4 7582 B12R1.25 CCCOc1cccc(c1I)C 34a_100010083724_100000210303 [0,2,0,0,0,0|0,0,2]=4 7583 B12R1.25 CCCOc1cccc(c1I)C 7a_100010083724_100000210303 [0,2,0,0,0,0|0,0,2]=4 7584 B12R1.25 CCCOc1cccc(c1I)Cl 34a_100000050174_100000210303 [0,2,0,0,0,0|0,0,2]=4 7585 B12R1.25 CCCOc1cccc(c1I)Cl 7a_100000050174_100000210303 [0,2,0,0,0,0|0,0,2]=4 7586 B12R1.25 CCCOc1cccc(c1I)F 34a_100000690913_100000210303 [0,2,0,0,0,0|0,0,2]=4 7587 B12R1.25 CCCOc1cccc(c1I)F 7a_100000690913_100000210303 [0,2,0,0,0,0|0,0,2]=4 7588 B12R1.25 CCCOc1cccc(c1N)Br 34a_100011934926_100000210303 [0,2,0,0,0,0|0,0,2]=4 7589 B12R1.25 CCCOc1cccc(c1N)Br 7a_100011934926_100000210303 [0,2,0,0,0,0|0,0,2]=4 7590 B12R1.25 CCCOc1cccc(c1N)C 34a_100000743429_100000210303 [0,2,0,0,0,0|0,0,2]=4 7591 B12R1.25 CCCOc1cccc(c1N)C 7a_100000743429_100000210303 [0,2,0,0,0,0|0,0,2]=4 7592 B12R1.25 CCCOc1cccc(c1N)Cl 34a_100012022510_100000210303 [0,2,0,0,0,0|0,0,2]=4 7593 B12R1.25 CCCOc1cccc(c1N)Cl 7a_100012022510_100000210303 [0,2,0,0,0,0|0,0,2]=4 7594 B12R1.25 CCCOc1cccc(c1N)F 34a_100020591140_100000210303 [0,2,0,0,0,0|0,0,2]=4 7595 B12R1.25 CCCOc1cccc(c1N)F 7a_100020591140_100000210303 [0,2,0,0,0,0|0,0,2]=4 7596 B12R1.25 CCCOc1cccc(c1N)I 34a_200000049512_100000210303 [0,2,0,0,0,0|0,0,2]=4 7597 B12R1.25 CCCOc1cccc(c1N)I 7a_200000049512_100000210303 [0,2,0,0,0,0|0,0,2]=4 7598 B12R1.25 CCCOc1cccc(c1N)N 34a_100000033209_100000210303 [0,2,0,0,0,0|0,0,2]=4 7599 B12R1.25 CSCOc1cccc(c1Br)Br 34a_100010187966_100011218213 [0,2,0,0,0,0|1,0,1]=4 7600 B12R1.25 CSCOc1cccc(c1Br)C 34a_100000686692_100011218213 [0,2,0,0,0,0|1,0,1]=4 7601 B12R1.25 CSCOc1cccc(c1Br)Cl 34a_100012348804_100011218213 [0,2,0,0,0,0|1,0,1]=4 7602 B12R1.25 CSCOc1cccc(c1Br)F 34a_100009820682_100011218213 [0,2,0,0,0,0|1,0,1]=4 7603 B12R1.25 CSCOc1cccc(c1Br)I 34a_100010187914_100011218213 [0,2,0,0,0,0|1,0,1]=4 7604 B12R1.25 CSCOc1cccc(c1Br)N 34a_100012183704_100011218213 [0,2,0,0,0,0|1,0,1]=4 7605 B12R1.25 CSCOc1cccc(c1C)Br 34a_100012002258_100011218213 [0,2,0,0,0,0|1,0,1]=4 7606 B12R1.25 CSCOc1cccc(c1C)C 34a_100000185855_100011218213 [0,2,0,0,0,0|1,0,1]=4 7607 B12R1.25 CSCOc1cccc(c1C)Cl 34a_100011265684_100011218213 [0,2,0,0,0,0|1,0,1]=4 7608 B12R1.25 CSCOc1cccc(c1C)F 34a_100011217231_100011218213 [0,2,0,0,0,0|1,0,1]=4 7609 B12R1.25 CSCOc1cccc(c1C)N 34a_100011216573_100011218213 [0,2,0,0,0,0|1,0,1]=4 7610 B12R1.25 CSCOc1cccc(c1Cl)Br 34a_100010187913_100011218213 [0,2,0,0,0,0|1,0,1]=4 7611 B12R1.25 CSCOc1cccc(c1Cl)C 34a_100000695629_100011218213 [0,2,0,0,0,0|1,0,1]=4 7612 B12R1.25 CSCOc1cccc(c1Cl)Cl 34a_100000211076_100011218213 [0,2,0,0,0,0|1,0,1]=4 7613 B12R1.25 CSCOc1cccc(c1Cl)F 34a_100000087408_100011218213 [0,2,0,0,0,0|1,0,1]=4 7614 B12R1.25 CSCOc1cccc(c1Cl)I 34a_100000049636_100011218213 [0,2,0,0,0,0|1,0,1]=4 7615 B12R1.25 CSCOc1cccc(c1Cl)N 34a_100012002038_100011218213 [0,2,0,0,0,0|1,0,1]=4 7616 B12R1.25 CSCOc1cccc(c1F)Br 34a_100009817021_100011218213 [0,2,0,0,0,0|1,0,1]=4 7617 B12R1.25 CSCOc1cccc(c1F)C 34a_100000751311_100011218213 [0,2,0,0,0,0|1,0,1]=4 7618 B12R1.25 CSCOc1cccc(c1F)Cl 34a_100000687438_100011218213 [0,2,0,0,0,0|1,0,1]=4 7619 B12R1.25 CSCOc1cccc(c1F)F 34a_100000751161_100011218213 [0,2,0,0,0,0|1,0,1]=4 7620 B12R1.25 CSCOc1cccc(c1I)Br 34a_100010187912_100011218213 [0,2,0,0,0,0|1,0,1]=4 7621 B12R1.25 CSCOc1cccc(c1I)C 34a_100010083724_100011218213 [0,2,0,0,0,0|1,0,1]=4 7622 B12R1.25 CSCOc1cccc(c1I)Cl 34a_100000050174_100011218213 [0,2,0,0,0,0|1,0,1]=4 7623 B12R1.25 CSCOc1cccc(c1I)F 34a_100000690913_100011218213 [0,2,0,0,0,0|1,0,1]=4 7624 B12R1.25 CSCOc1cccc(c1N)Br 34a_100011934926_100011218213 [0,2,0,0,0,0|1,0,1]=4 7625 B12R1.25 CSCOc1cccc(c1N)C 34a_100000743429_100011218213 [0,2,0,0,0,0|1,0,1]=4 7626 B12R1.25 CSCOc1cccc(c1N)Cl 34a_100012022510_100011218213 [0,2,0,0,0,0|1,0,1]=4 7627 B12R1.25 CSCOc1cccc(c1N)F 34a_100020591140_100011218213 [0,2,0,0,0,0|1,0,1]=4 7628 B12R1.25 CSCOc1cccc(c1N)I 34a_200000049512_100011218213 [0,2,0,0,0,0|1,0,1]=4 7629 B12R1.25 CSCOc1cccc(c1N)N 34a_100000033209_100011218213 [0,2,0,0,0,0|1,0,1]=4 7630 B12R1.25 Cc1c(cccc1NCC=O)Br 34a_100000750434_200009817547 [0,2,0,0,0,0|2,0,0]=4 7631 B12R1.25 Cc1c(cccc1NCC=O)Cl 2230a_100000210441_200015260668 [0,2,0,0,0,0|2,0,0]=4 7632 B12R1.25 Cc1c(cccc1NCC=O)Cl 34a_100000210441_200009817547 [0,2,0,0,0,0|2,0,0]=4 7633 B12R1.25 Cc1c(cccc1NCC=O)Cl 7a_100000210441_200015260668 [0,2,0,0,0,0|2,0,0]=4 7634 B12R1.25 Cc1c(cccc1NCC=O)F 34a_100000745574_200009817547 [0,2,0,0,0,0|2,0,0]=4 7635 B12R1.25 Cc1c(cccc1NCC=O)F 7a_100000745574_200015260668 [0,2,0,0,0,0|2,0,0]=4 7636 B12R1.25 Cc1c(cccc1NCC=O)I 34a_100000761887_200009817547 [0,2,0,0,0,0|2,0,0]=4 7637 B12R1.25 Cc1c(cccc1NCC=O)O 34a_100011216573_200009817547 [0,2,0,0,0,0|2,0,0]=4 7638 B12R1.25 Cc1c(cccc1NCC=O)O 7a_100011216573_200015260668 [0,2,0,0,0,0|2,0,0]=4 7639 B12R1.25 Cc1c(cccc1OCC#N)Br 7a_100012002258_100011215382 [0,2,0,0,0,0|1,0,1]=4 7640 B12R1.25 Cc1c(cccc1OCC#N)Cl 7a_100011265684_100011215382 [0,2,0,0,0,0|1,0,1]=4 7641 B12R1.25 Cc1c(cccc1OCC#N)F 7a_100011217231_100011215382 [0,2,0,0,0,0|1,0,1]=4 7642 B12R1.25 Cc1c(cccc1OCC#N)N 7a_100011216573_100011215382 [0,2,0,0,0,0|1,0,1]=4 7643 B12R1.25 Cc1c(cccc1OCC=O)Br 34a_100012002258_200009817547 [0,2,0,0,0,0|1,0,0]=3 7644 B12R1.25 Cc1c(cccc1OCC=O)Br 7a_100012002258_200015260668 [0,2,0,0,0,0|1,0,0]=3 7645 B12R1.25 Cc1c(cccc1OCC=O)Cl 34a_100011265684_200009817547 [0,2,0,0,0,0|1,0,0]=3 7646 B12R1.25 Cc1c(cccc1OCC=O)Cl 7a_100011265684_200015260668 [0,2,0,0,0,0|1,0,0]=3 7647 B12R1.25 Cc1c(cccc1OCC=O)F 34a_100011217231_200009817547 [0,2,0,0,0,0|1,0,0]=3 7648 B12R1.25 Cc1c(cccc1OCC=O)F 7a_100011217231_200015260668 [0,2,0,0,0,0|1,0,0]=3 7649 B12R1.25 Cc1c(cccc1OCC=O)N 34a_100011216573_200009817547 [0,2,0,0,0,0|1,0,0]=3 7650 B12R1.25 Cc1c(cccc1OCC=O)N 7a_100011216573_200015260668 [0,2,0,0,0,0|1,0,0]=3 7651 B12R1.25 Cc1c(cccc1OCCF)Br 34a_100012002258_100011217306 [0,2,0,0,0,0|1,0,1]=4 7652 B12R1.25 Cc1c(cccc1OCCF)Br 7a_100012002258_100011217306 [0,2,0,0,0,0|1,0,1]=4 7653 B12R1.25 Cc1c(cccc1OCCF)Cl 34a_100011265684_100011217306 [0,2,0,0,0,0|1,0,1]=4 7654 B12R1.25 Cc1c(cccc1OCCF)Cl 7a_100011265684_100011217306 [0,2,0,0,0,0|1,0,1]=4 7655 B12R1.25 Cc1c(cccc1OCCF)F 34a_100011217231_100011217306 [0,2,0,0,0,0|1,0,1]=4 7656 B12R1.25 Cc1c(cccc1OCCF)F 7a_100011217231_100011217306 [0,2,0,0,0,0|1,0,1]=4 7657 B12R1.25 Cc1c(cccc1OCCF)N 34a_100011216573_100011217306 [0,2,0,0,0,0|1,0,1]=4 7658 B12R1.25 Cc1c(cccc1OCCF)N 7a_100011216573_100011217306 [0,2,0,0,0,0|1,0,1]=4 7659 B12R1.25 Cc1c(cccc1OCCO)Br 34a_100012002258_100000211926 [0,2,0,0,0,0|1,0,1]=4 7660 B12R1.25 Cc1c(cccc1OCCO)Br 7a_100012002258_100000211926 [0,2,0,0,0,0|1,0,1]=4 7661 B12R1.25 Cc1c(cccc1OCCO)Cl 34a_100011265684_100000211926 [0,2,0,0,0,0|1,0,1]=4 7662 B12R1.25 Cc1c(cccc1OCCO)Cl 7a_100011265684_100000211926 [0,2,0,0,0,0|1,0,1]=4 7663 B12R1.25 Cc1c(cccc1OCCO)F 34a_100011217231_100000211926 [0,2,0,0,0,0|1,0,1]=4 7664 B12R1.25 Cc1c(cccc1OCCO)F 7a_100011217231_100000211926 [0,2,0,0,0,0|1,0,1]=4 7665 B12R1.25 Cc1c(cccc1OCCO)N 34a_100011216573_100000211926 [0,2,0,0,0,0|1,0,1]=4 7666 B12R1.25 Cc1c(cccc1OCCO)N 7a_100011216573_100000211926 [0,2,0,0,0,0|1,0,1]=4 7667 B12R1.25 Cc1c(cccc1SCC=O)Br 62a_100012353703_200015260668 [0,2,0,0,0,0|1,1,0]=4 7668 B12R1.25 Cc1c(cccc1SCC=O)Br 62a_200015260668_100012353703 [0,2,0,0,0,0|1,1,0]=4 7669 B12R1.25 Cc1c(cccc1SCC=O)Cl 62a_100000726075_200015260668 [0,2,0,0,0,0|1,1,0]=4 7670 B12R1.25 Cc1c(cccc1SCC=O)Cl 62a_200015260668_100000726075 [0,2,0,0,0,0|1,1,0]=4 7671 B12R1.25 Cc1c(cccc1SCC=O)F 62a_100011216893_200015260668 [0,2,0,0,0,0|1,1,0]=4 7672 B12R1.25 Cc1c(cccc1SCC=O)F 62a_200015260668_100011216893 [0,2,0,0,0,0|1,1,0]=4 7673 B12R1.25 Cc1c(cccc1SCC=O)N 62a_100000761887_200015260668 [0,2,0,0,0,0|1,1,0]=4 7674 B12R1.25 Cc1c(cccc1SCC=O)N 62a_200015260668_100000761887 [0,2,0,0,0,0|1,1,0]=4 7675 B12R1.25 Cc1c(cccc1SCC=O)O 62a_100012002258_200015260668 [0,2,0,0,0,0|1,1,0]=4 7676 B12R1.25 Cc1c(cccc1SCC=O)O 62a_200015260668_100012002258 [0,2,0,0,0,0|1,1,0]=4 7677 B12R1.25 Cc1c(ccnc1OCC=O)Br 34a_100009858498_200009817547 [0,2,0,0,0,0|2,0,0]=4 7678 B12R1.25 Cc1cccc(c1Br)NCC=O 34a_100000684715_200009817547 [0,2,0,0,0,0|2,0,0]=4 7679 B12R1.25 Cc1cccc(c1Br)OCC#N 7a_100000686692_100011215382 [0,2,0,0,0,0|1,0,1]=4 7680 B12R1.25 Cc1cccc(c1Br)OCC=O 34a_100000686692_200009817547 [0,2,0,0,0,0|1,0,0]=3 7681 B12R1.25 Cc1cccc(c1Br)OCC=O 7a_100000686692_200015260668 [0,2,0,0,0,0|1,0,0]=3 7682 B12R1.25 Cc1cccc(c1Br)OCCF 34a_100000686692_100011217306 [0,2,0,0,0,0|1,0,1]=4 7683 B12R1.25 Cc1cccc(c1Br)OCCF 7a_100000686692_100011217306 [0,2,0,0,0,0|1,0,1]=4 7684 B12R1.25 Cc1cccc(c1Br)OCCO 34a_100000686692_100000211926 [0,2,0,0,0,0|1,0,1]=4 7685 B12R1.25 Cc1cccc(c1Br)OCCO 7a_100000686692_100000211926 [0,2,0,0,0,0|1,0,1]=4 7686 B12R1.25 Cc1cccc(c1Br)SCC=O 62a_100012362457_200015260668 [0,2,0,0,0,0|1,1,0]=4 7687 B12R1.25 Cc1cccc(c1Br)SCC=O 62a_200015260668_100012362457 [0,2,0,0,0,0|1,1,0]=4 7688 B12R1.25 Cc1cccc(c1C)NCC=O 2230a_100000210026_200015260668 [0,2,0,0,0,0|2,0,0]=4 7689 B12R1.25 Cc1cccc(c1C)NCC=O 34a_100000210026_200009817547 [0,2,0,0,0,0|2,0,0]=4 7690 B12R1.25 Cc1cccc(c1C)NCC=O 7a_100000210026_200015260668 [0,2,0,0,0,0|2,0,0]=4 7691 B12R1.25 Cc1cccc(c1C)OCC#N 7a_100000185855_100011215382 [0,2,0,0,0,0|1,0,1]=4 7692 B12R1.25 Cc1cccc(c1C)OCC=O 34a_100000185855_200009817547 [0,2,0,0,0,0|1,0,0]=3 7693 B12R1.25 Cc1cccc(c1C)OCC=O 7a_100000185855_200015260668 [0,2,0,0,0,0|1,0,0]=3 7694 B12R1.25 Cc1cccc(c1C)OCCF 34a_100000185855_100011217306 [0,2,0,0,0,0|1,0,1]=4 7695 B12R1.25 Cc1cccc(c1C)OCCF 7a_100000185855_100011217306 [0,2,0,0,0,0|1,0,1]=4 7696 B12R1.25 Cc1cccc(c1C)OCCO 34a_100000185855_100000211926 [0,2,0,0,0,0|1,0,1]=4 7697 B12R1.25 Cc1cccc(c1C)OCCO 7a_100000185855_100000211926 [0,2,0,0,0,0|1,0,1]=4 7698 B12R1.25 Cc1cccc(c1C)SCC=O 62a_100011214922_200015260668 [0,2,0,0,0,0|1,1,0]=4 7699 B12R1.25 Cc1cccc(c1C)SCC=O 62a_200015260668_100011214922 [0,2,0,0,0,0|1,1,0]=4 7700 B12R1.25 Cc1cccc(c1Cl)NCC=O 34a_100000765562_200009817547 [0,2,0,0,0,0|2,0,0]=4 7701 B12R1.25 Cc1cccc(c1Cl)NCC=O 7a_100000765562_200015260668 [0,2,0,0,0,0|2,0,0]=4 7702 B12R1.25 Cc1cccc(c1Cl)OCC#N 7a_100000695629_100011215382 [0,2,0,0,0,0|1,0,1]=4 7703 B12R1.25 Cc1cccc(c1Cl)OCC=O 34a_100000695629_200009817547 [0,2,0,0,0,0|1,0,0]=3 7704 B12R1.25 Cc1cccc(c1Cl)OCC=O 7a_100000695629_200015260668 [0,2,0,0,0,0|1,0,0]=3 7705 B12R1.25 Cc1cccc(c1Cl)OCCF 34a_100000695629_100011217306 [0,2,0,0,0,0|1,0,1]=4 7706 B12R1.25 Cc1cccc(c1Cl)OCCF 7a_100000695629_100011217306 [0,2,0,0,0,0|1,0,1]=4 7707 B12R1.25 Cc1cccc(c1Cl)OCCO 34a_100000695629_100000211926 [0,2,0,0,0,0|1,0,1]=4 7708 B12R1.25 Cc1cccc(c1Cl)OCCO 7a_100000695629_100000211926 [0,2,0,0,0,0|1,0,1]=4 7709 B12R1.25 Cc1cccc(c1Cl)SCC=O 62a_200012352035_200015260668 [0,2,0,0,0,0|1,1,0]=4 7710 B12R1.25 Cc1cccc(c1Cl)SCC=O 62a_200015260668_200012352035 [0,2,0,0,0,0|1,1,0]=4 7711 B12R1.25 Cc1cccc(c1F)NCC=O 2230a_100000697159_200015260668 [0,2,0,0,0,0|2,0,0]=4 7712 B12R1.25 Cc1cccc(c1F)NCC=O 34a_100000697159_200009817547 [0,2,0,0,0,0|2,0,0]=4 7713 B12R1.25 Cc1cccc(c1F)NCC=O 7a_100000697159_200015260668 [0,2,0,0,0,0|2,0,0]=4 7714 B12R1.25 Cc1cccc(c1F)OCC#N 7a_100000751311_100011215382 [0,2,0,0,0,0|1,0,1]=4 7715 B12R1.25 Cc1cccc(c1F)OCC=O 34a_100000751311_200009817547 [0,2,0,0,0,0|1,0,0]=3 7716 B12R1.25 Cc1cccc(c1F)OCC=O 7a_100000751311_200015260668 [0,2,0,0,0,0|1,0,0]=3 7717 B12R1.25 Cc1cccc(c1F)OCCF 34a_100000751311_100011217306 [0,2,0,0,0,0|1,0,1]=4 7718 B12R1.25 Cc1cccc(c1F)OCCF 7a_100000751311_100011217306 [0,2,0,0,0,0|1,0,1]=4 7719 B12R1.25 Cc1cccc(c1F)OCCO 34a_100000751311_100000211926 [0,2,0,0,0,0|1,0,1]=4 7720 B12R1.25 Cc1cccc(c1F)OCCO 7a_100000751311_100000211926 [0,2,0,0,0,0|1,0,1]=4 7721 B12R1.25 Cc1cccc(c1F)SCC=O 62a_100000717567_200015260668 [0,2,0,0,0,0|1,1,0]=4 7722 B12R1.25 Cc1cccc(c1F)SCC=O 62a_200015260668_100000717567 [0,2,0,0,0,0|1,1,0]=4 7723 B12R1.25 Cc1cccc(c1I)NCC=O 34a_100000761888_200009817547 [0,2,0,0,0,0|2,0,0]=4 7724 B12R1.25 Cc1cccc(c1I)OCC#N 7a_100010083724_100011215382 [0,2,0,0,0,0|1,0,1]=4 7725 B12R1.25 Cc1cccc(c1I)OCC=O 34a_100010083724_200009817547 [0,2,0,0,0,0|1,0,0]=3 7726 B12R1.25 Cc1cccc(c1I)OCC=O 7a_100010083724_200015260668 [0,2,0,0,0,0|1,0,0]=3 7727 B12R1.25 Cc1cccc(c1I)OCCF 34a_100010083724_100011217306 [0,2,0,0,0,0|1,0,1]=4 7728 B12R1.25 Cc1cccc(c1I)OCCF 7a_100010083724_100011217306 [0,2,0,0,0,0|1,0,1]=4 7729 B12R1.25 Cc1cccc(c1I)OCCO 34a_100010083724_100000211926 [0,2,0,0,0,0|1,0,1]=4 7730 B12R1.25 Cc1cccc(c1I)OCCO 7a_100010083724_100000211926 [0,2,0,0,0,0|1,0,1]=4 7731 B12R1.25 Cc1cccc(c1N)OCC#N 7a_100000743429_100011215382 [0,2,0,0,0,0|1,0,1]=4 7732 B12R1.25 Cc1cccc(c1N)OCC=O 34a_100000743429_200009817547 [0,2,0,0,0,0|1,0,0]=3 7733 B12R1.25 Cc1cccc(c1N)OCC=O 7a_100000743429_200015260668 [0,2,0,0,0,0|1,0,0]=3 7734 B12R1.25 Cc1cccc(c1N)OCCF 34a_100000743429_100011217306 [0,2,0,0,0,0|1,0,1]=4 7735 B12R1.25 Cc1cccc(c1N)OCCF 7a_100000743429_100011217306 [0,2,0,0,0,0|1,0,1]=4 7736 B12R1.25 Cc1cccc(c1N)OCCO 34a_100000743429_100000211926 [0,2,0,0,0,0|1,0,1]=4 7737 B12R1.25 Cc1cccc(c1N)OCCO 7a_100000743429_100000211926 [0,2,0,0,0,0|1,0,1]=4 7738 B12R1.25 Cc1cccc(c1N)SCC=O 62a_100011834072_200015260668 [0,2,0,0,0,0|1,1,0]=4 7739 B12R1.25 Cc1cccc(c1N)SCC=O 62a_200015260668_100011834072 [0,2,0,0,0,0|1,1,0]=4 7740 B12R1.25 Cc1cccc(c1O)NCC=O 34a_100000756359_200009817547 [0,2,0,0,0,0|2,0,0]=4 7741 B12R1.25 Cc1cccc(c1O)SCC=O 62a_100009817157_200015260668 [0,2,0,0,0,0|1,1,0]=4 7742 B12R1.25 Cc1cccc(c1O)SCC=O 62a_200015260668_100009817157 [0,2,0,0,0,0|1,1,0]=4 7743 B12R1.25 Cc1ccnc(c1Br)OCC=O 34a_100012000493_200009817547 [0,2,0,0,0,0|2,0,0]=4 7744 B12R1.25 Cn1cccc(c1=O)OCC=O 34a_100000117616_200009817547 [0,2,0,0,0,0|2,0,0]=4 7745 B12R1.25 Cn1cccc(c1=O)OCC=O 7a_100000117616_200015260668 [0,2,0,0,0,0|2,0,0]=4 7746 B12R1.25 FCCOc1cccc(c1Br)Br 34a_100010187966_100011217306 [0,2,0,0,0,0|1,0,1]=4 7747 B12R1.25 FCCOc1cccc(c1Br)Br 7a_100010187966_100011217306 [0,2,0,0,0,0|1,0,1]=4 7748 B12R1.25 FCCOc1cccc(c1Br)Cl 34a_100012348804_100011217306 [0,2,0,0,0,0|1,0,1]=4 7749 B12R1.25 FCCOc1cccc(c1Br)Cl 7a_100012348804_100011217306 [0,2,0,0,0,0|1,0,1]=4 7750 B12R1.25 FCCOc1cccc(c1Br)F 34a_100009820682_100011217306 [0,2,0,0,0,0|1,0,1]=4 7751 B12R1.25 FCCOc1cccc(c1Br)F 7a_100009820682_100011217306 [0,2,0,0,0,0|1,0,1]=4 7752 B12R1.25 FCCOc1cccc(c1Br)I 34a_100010187914_100011217306 [0,2,0,0,0,0|1,0,1]=4 7753 B12R1.25 FCCOc1cccc(c1Br)I 7a_100010187914_100011217306 [0,2,0,0,0,0|1,0,1]=4 7754 B12R1.25 FCCOc1cccc(c1Cl)Br 34a_100010187913_100011217306 [0,2,0,0,0,0|1,0,1]=4 7755 B12R1.25 FCCOc1cccc(c1Cl)Br 7a_100010187913_100011217306 [0,2,0,0,0,0|1,0,1]=4 7756 B12R1.25 FCCOc1cccc(c1Cl)Cl 34a_100000211076_100011217306 [0,2,0,0,0,0|1,0,1]=4 7757 B12R1.25 FCCOc1cccc(c1Cl)Cl 7a_100000211076_100011217306 [0,2,0,0,0,0|1,0,1]=4 7758 B12R1.25 FCCOc1cccc(c1Cl)F 34a_100000087408_100011217306 [0,2,0,0,0,0|1,0,1]=4 7759 B12R1.25 FCCOc1cccc(c1Cl)F 7a_100000087408_100011217306 [0,2,0,0,0,0|1,0,1]=4 7760 B12R1.25 FCCOc1cccc(c1Cl)I 34a_100000049636_100011217306 [0,2,0,0,0,0|1,0,1]=4 7761 B12R1.25 FCCOc1cccc(c1Cl)I 7a_100000049636_100011217306 [0,2,0,0,0,0|1,0,1]=4 7762 B12R1.25 FCCOc1cccc(c1F)Br 34a_100009817021_100011217306 [0,2,0,0,0,0|1,0,1]=4 7763 B12R1.25 FCCOc1cccc(c1F)Br 7a_100009817021_100011217306 [0,2,0,0,0,0|1,0,1]=4 7764 B12R1.25 FCCOc1cccc(c1F)Cl 34a_100000687438_100011217306 [0,2,0,0,0,0|1,0,1]=4 7765 B12R1.25 FCCOc1cccc(c1F)Cl 7a_100000687438_100011217306 [0,2,0,0,0,0|1,0,1]=4 7766 B12R1.25 FCCOc1cccc(c1F)F 34a_100000751161_100011217306 [0,2,0,0,0,0|1,0,1]=4 7767 B12R1.25 FCCOc1cccc(c1F)F 7a_100000751161_100011217306 [0,2,0,0,0,0|1,0,1]=4 7768 B12R1.25 FCCOc1cccc(c1I)Br 34a_100010187912_100011217306 [0,2,0,0,0,0|1,0,1]=4 7769 B12R1.25 FCCOc1cccc(c1I)Br 7a_100010187912_100011217306 [0,2,0,0,0,0|1,0,1]=4 7770 B12R1.25 FCCOc1cccc(c1I)Cl 34a_100000050174_100011217306 [0,2,0,0,0,0|1,0,1]=4 7771 B12R1.25 FCCOc1cccc(c1I)Cl 7a_100000050174_100011217306 [0,2,0,0,0,0|1,0,1]=4 7772 B12R1.25 FCCOc1cccc(c1I)F 34a_100000690913_100011217306 [0,2,0,0,0,0|1,0,1]=4 7773 B12R1.25 FCCOc1cccc(c1I)F 7a_100000690913_100011217306 [0,2,0,0,0,0|1,0,1]=4 7774 B12R1.25 N#CCOc1cccc(c1Br)Br 7a_100010187966_100011215382 [0,2,0,0,0,0|1,0,1]=4 7775 B12R1.25 N#CCOc1cccc(c1Br)Cl 7a_100012348804_100011215382 [0,2,0,0,0,0|1,0,1]=4 7776 B12R1.25 N#CCOc1cccc(c1Br)F 7a_100009820682_100011215382 [0,2,0,0,0,0|1,0,1]=4 7777 B12R1.25 N#CCOc1cccc(c1Br)I 7a_100010187914_100011215382 [0,2,0,0,0,0|1,0,1]=4 7778 B12R1.25 N#CCOc1cccc(c1Br)N 7a_100012183704_100011215382 [0,2,0,0,0,0|1,0,1]=4 7779 B12R1.25 N#CCOc1cccc(c1Cl)Br 7a_100010187913_100011215382 [0,2,0,0,0,0|1,0,1]=4 7780 B12R1.25 N#CCOc1cccc(c1Cl)Cl 7a_100000211076_100011215382 [0,2,0,0,0,0|1,0,1]=4 7781 B12R1.25 N#CCOc1cccc(c1Cl)F 7a_100000087408_100011215382 [0,2,0,0,0,0|1,0,1]=4 7782 B12R1.25 N#CCOc1cccc(c1Cl)I 7a_100000049636_100011215382 [0,2,0,0,0,0|1,0,1]=4 7783 B12R1.25 N#CCOc1cccc(c1Cl)N 7a_100012002038_100011215382 [0,2,0,0,0,0|1,0,1]=4 7784 B12R1.25 N#CCOc1cccc(c1F)Br 7a_100009817021_100011215382 [0,2,0,0,0,0|1,0,1]=4 7785 B12R1.25 N#CCOc1cccc(c1F)Cl 7a_100000687438_100011215382 [0,2,0,0,0,0|1,0,1]=4 7786 B12R1.25 N#CCOc1cccc(c1F)F 7a_100000751161_100011215382 [0,2,0,0,0,0|1,0,1]=4 7787 B12R1.25 N#CCOc1cccc(c1I)Br 7a_100010187912_100011215382 [0,2,0,0,0,0|1,0,1]=4 7788 B12R1.25 N#CCOc1cccc(c1I)Cl 7a_100000050174_100011215382 [0,2,0,0,0,0|1,0,1]=4 7789 B12R1.25 N#CCOc1cccc(c1I)F 7a_100000690913_100011215382 [0,2,0,0,0,0|1,0,1]=4 7790 B12R1.25 N#CCOc1cccc(c1N)Br 7a_100011934926_100011215382 [0,2,0,0,0,0|1,0,1]=4 7791 B12R1.25 N#CCOc1cccc(c1N)Cl 7a_100012022510_100011215382 [0,2,0,0,0,0|1,0,1]=4 7792 B12R1.25 N#CCOc1cccc(c1N)F 7a_100020591140_100011215382 [0,2,0,0,0,0|1,0,1]=4 7793 B12R1.25 N#CCOc1cccc(c1N)I 7a_200000049512_100011215382 [0,2,0,0,0,0|1,0,1]=4 7794 B12R1.25 Nc1c(cccc1OCC=O)Br 34a_100011934926_200009817547 [0,2,0,0,0,0|1,0,0]=3 7795 B12R1.25 Nc1c(cccc1OCC=O)Br 7a_100011934926_200015260668 [0,2,0,0,0,0|1,0,0]=3 7796 B12R1.25 Nc1c(cccc1OCC=O)Cl 34a_100012022510_200009817547 [0,2,0,0,0,0|1,0,0]=3 7797 B12R1.25 Nc1c(cccc1OCC=O)Cl 7a_100012022510_200015260668 [0,2,0,0,0,0|1,0,0]=3 7798 B12R1.25 Nc1c(cccc1OCC=O)F 34a_100020591140_200009817547 [0,2,0,0,0,0|1,0,0]=3 7799 B12R1.25 Nc1c(cccc1OCC=O)F 7a_100020591140_200015260668 [0,2,0,0,0,0|1,0,0]=3 7800 B12R1.25 Nc1c(cccc1OCC=O)I 34a_200000049512_200009817547 [0,2,0,0,0,0|1,0,0]=3 7801 B12R1.25 Nc1c(cccc1OCC=O)I 7a_200000049512_200015260668 [0,2,0,0,0,0|1,0,0]=3 7802 B12R1.25 Nc1c(cccc1OCCF)Br 34a_100011934926_100011217306 [0,2,0,0,0,0|1,0,1]=4 7803 B12R1.25 Nc1c(cccc1OCCF)Br 7a_100011934926_100011217306 [0,2,0,0,0,0|1,0,1]=4 7804 B12R1.25 Nc1c(cccc1OCCF)Cl 34a_100012022510_100011217306 [0,2,0,0,0,0|1,0,1]=4 7805 B12R1.25 Nc1c(cccc1OCCF)Cl 7a_100012022510_100011217306 [0,2,0,0,0,0|1,0,1]=4 7806 B12R1.25 Nc1c(cccc1OCCF)F 34a_100020591140_100011217306 [0,2,0,0,0,0|1,0,1]=4 7807 B12R1.25 Nc1c(cccc1OCCF)F 7a_100020591140_100011217306 [0,2,0,0,0,0|1,0,1]=4 7808 B12R1.25 Nc1c(cccc1OCCF)I 34a_200000049512_100011217306 [0,2,0,0,0,0|1,0,1]=4 7809 B12R1.25 Nc1c(cccc1OCCF)I 7a_200000049512_100011217306 [0,2,0,0,0,0|1,0,1]=4 7810 B12R1.25 Nc1c(cccc1OCCO)Br 34a_100011934926_100000211926 [0,2,0,0,0,0|1,0,1]=4 7811 B12R1.25 Nc1c(cccc1OCCO)Br 7a_100011934926_100000211926 [0,2,0,0,0,0|1,0,1]=4 7812 B12R1.25 Nc1c(cccc1OCCO)Cl 34a_100012022510_100000211926 [0,2,0,0,0,0|1,0,1]=4 7813 B12R1.25 Nc1c(cccc1OCCO)Cl 7a_100012022510_100000211926 [0,2,0,0,0,0|1,0,1]=4 7814 B12R1.25 Nc1c(cccc1OCCO)F 34a_100020591140_100000211926 [0,2,0,0,0,0|1,0,1]=4 7815 B12R1.25 Nc1c(cccc1OCCO)F 7a_100020591140_100000211926 [0,2,0,0,0,0|1,0,1]=4 7816 B12R1.25 Nc1c(cccc1OCCO)I 34a_200000049512_100000211926 [0,2,0,0,0,0|1,0,1]=4 7817 B12R1.25 Nc1c(cccc1OCCO)I 7a_200000049512_100000211926 [0,2,0,0,0,0|1,0,1]=4 7818 B12R1.25 Nc1c(cccc1SCC=O)Br 62a_100010146558_200015260668 [0,2,0,0,0,0|1,1,0]=4 7819 B12R1.25 Nc1c(cccc1SCC=O)Br 62a_200015260668_100010146558 [0,2,0,0,0,0|1,1,0]=4 7820 B12R1.25 Nc1c(cccc1SCC=O)Cl 62a_100010190421_200015260668 [0,2,0,0,0,0|1,1,0]=4 7821 B12R1.25 Nc1c(cccc1SCC=O)Cl 62a_200015260668_100010190421 [0,2,0,0,0,0|1,1,0]=4 7822 B12R1.25 Nc1c(cccc1SCC=O)F 62a_100000042321_200015260668 [0,2,0,0,0,0|1,1,0]=4 7823 B12R1.25 Nc1c(cccc1SCC=O)F 62a_200015260668_100000042321 [0,2,0,0,0,0|1,1,0]=4 7824 B12R1.25 Nc1c(cccc1SCC=O)O 62a_200015260668_100011934926 [0,2,0,0,0,0|1,1,0]=4 7825 B12R1.25 Nc1c(ccnc1Cl)OCC=O 34a_100000128729_200009817547 [0,2,0,0,0,0|2,0,0]=4 7826 B12R1.25 Nc1cccc(c1Br)OCC=O 34a_100012183704_200009817547 [0,2,0,0,0,0|1,0,0]=3 7827 B12R1.25 Nc1cccc(c1Br)OCC=O 7a_100012183704_200015260668 [0,2,0,0,0,0|1,0,0]=3 7828 B12R1.25 Nc1cccc(c1Br)OCCF 34a_100012183704_100011217306 [0,2,0,0,0,0|1,0,1]=4 7829 B12R1.25 Nc1cccc(c1Br)OCCF 7a_100012183704_100011217306 [0,2,0,0,0,0|1,0,1]=4 7830 B12R1.25 Nc1cccc(c1Br)OCCO 34a_100012183704_100000211926 [0,2,0,0,0,0|1,0,1]=4 7831 B12R1.25 Nc1cccc(c1Br)OCCO 7a_100012183704_100000211926 [0,2,0,0,0,0|1,0,1]=4 7832 B12R1.25 Nc1cccc(c1Cl)OCC=O 34a_100012002038_200009817547 [0,2,0,0,0,0|1,0,0]=3 7833 B12R1.25 Nc1cccc(c1Cl)OCC=O 7a_100012002038_200015260668 [0,2,0,0,0,0|1,0,0]=3 7834 B12R1.25 Nc1cccc(c1Cl)OCCF 34a_100012002038_100011217306 [0,2,0,0,0,0|1,0,1]=4 7835 B12R1.25 Nc1cccc(c1Cl)OCCF 7a_100012002038_100011217306 [0,2,0,0,0,0|1,0,1]=4 7836 B12R1.25 Nc1cccc(c1Cl)OCCO 34a_100012002038_100000211926 [0,2,0,0,0,0|1,0,1]=4 7837 B12R1.25 Nc1cccc(c1Cl)OCCO 7a_100012002038_100000211926 [0,2,0,0,0,0|1,0,1]=4 7838 B12R1.25 Nc1cccc(c1F)SCC=O 62a_100011935091_200015260668 [0,2,0,0,0,0|1,1,0]=4 7839 B12R1.25 Nc1cccc(c1F)SCC=O 62a_200015260668_100011935091 [0,2,0,0,0,0|1,1,0]=4 7840 B12R1.25 Nc1cccc(c1N)OCC=O 34a_100000033209_200009817547 [0,2,0,0,0,0|1,0,0]=3 7841 B12R1.25 Nc1cccc(c1N)OCCF 34a_100000033209_100011217306 [0,2,0,0,0,0|1,0,1]=4 7842 B12R1.25 Nc1cccc(c1N)OCCO 34a_100000033209_100000211926 [0,2,0,0,0,0|1,0,1]=4 7843 B12R1.25 Nc1cccc(c1N)SCC=O 62a_100015191791_200015260668 [0,2,0,0,0,0|1,1,0]=4 7844 B12R1.25 Nc1cccc(c1O)SCC=O 62a_100011934915_200015260668 [0,2,0,0,0,0|1,1,0]=4 7845 B12R1.25 Nc1cccc(c1O)SCC=O 62a_200015260668_100010084371 [0,2,0,0,0,0|1,1,0]=4 7846 B12R1.25 Nc1ccnc(c1Cl)OCC=O 34a_200000093555_200009817547 [0,2,0,0,0,0|2,0,0]=4 7847 B12R1.25 O=CCNc1cccc(c1Br)Cl 34a_100000687072_200009817547 [0,2,0,0,0,0|2,0,0]=4 7848 B12R1.25 O=CCNc1cccc(c1Br)F 34a_100011934729_200009817547 [0,2,0,0,0,0|2,0,0]=4 7849 B12R1.25 O=CCNc1cccc(c1Br)O 34a_100012183704_200009817547 [0,2,0,0,0,0|2,0,0]=4 7850 B12R1.25 O=CCNc1cccc(c1Br)O 7a_100012183704_200015260668 [0,2,0,0,0,0|2,0,0]=4 7851 B12R1.25 O=CCNc1cccc(c1Cl)Br 34a_100000687075_200009817547 [0,2,0,0,0,0|2,0,0]=4 7852 B12R1.25 O=CCNc1cccc(c1Cl)Cl 34a_100000185733_200009817547 [0,2,0,0,0,0|2,0,0]=4 7853 B12R1.25 O=CCNc1cccc(c1Cl)F 34a_100000692321_200009817547 [0,2,0,0,0,0|2,0,0]=4 7854 B12R1.25 O=CCNc1cccc(c1Cl)O 34a_100012002038_200009817547 [0,2,0,0,0,0|2,0,0]=4 7855 B12R1.25 O=CCNc1cccc(c1Cl)O 7a_100012002038_200015260668 [0,2,0,0,0,0|2,0,0]=4 7856 B12R1.25 O=CCNc1cccc(c1F)Br 2230a_100011935091_200015260668 [0,2,0,0,0,0|2,0,0]=4 7857 B12R1.25 O=CCNc1cccc(c1F)Br 34a_100011935091_200009817547 [0,2,0,0,0,0|2,0,0]=4 7858 B12R1.25 O=CCNc1cccc(c1F)Cl 2230a_100000199060_200015260668 [0,2,0,0,0,0|2,0,0]=4 7859 B12R1.25 O=CCNc1cccc(c1F)Cl 34a_100000199060_200009817547 [0,2,0,0,0,0|2,0,0]=4 7860 B12R1.25 O=CCNc1cccc(c1F)F 34a_100000743855_200009817547 [0,2,0,0,0,0|2,0,0]=4 7861 B12R1.25 O=CCNc1cccc(c1I)Br 34a_100020590159_200009817547 [0,2,0,0,0,0|2,0,0]=4 7862 B12R1.25 O=CCNc1cccc(c1I)Cl 34a_100000049713_200009817547 [0,2,0,0,0,0|2,0,0]=4 7863 B12R1.25 O=CCNc1cccc(c1I)F 34a_100000690935_200009817547 [0,2,0,0,0,0|2,0,0]=4 7864 B12R1.25 O=CCNc1cccc(c1O)Br 34a_100011934915_200009817547 [0,2,0,0,0,0|2,0,0]=4 7865 B12R1.25 O=CCNc1cccc(c1O)Cl 34a_100000754742_200009817547 [0,2,0,0,0,0|2,0,0]=4 7866 B12R1.25 O=CCNc1cccc(c1O)F 34a_100011934987_200009817547 [0,2,0,0,0,0|2,0,0]=4 7867 B12R1.25 O=CCOc1cccc(c1Br)Br 34a_100010187966_200009817547 [0,2,0,0,0,0|1,0,0]=3 7868 B12R1.25 O=CCOc1cccc(c1Br)Br 7a_100010187966_200015260668 [0,2,0,0,0,0|1,0,0]=3 7869 B12R1.25 O=CCOc1cccc(c1Br)Cl 34a_100012348804_200009817547 [0,2,0,0,0,0|1,0,0]=3 7870 B12R1.25 O=CCOc1cccc(c1Br)Cl 7a_100012348804_200015260668 [0,2,0,0,0,0|1,0,0]=3 7871 B12R1.25 O=CCOc1cccc(c1Br)F 34a_100009820682_200009817547 [0,2,0,0,0,0|1,0,0]=3 7872 B12R1.25 O=CCOc1cccc(c1Br)F 7a_100009820682_200015260668 [0,2,0,0,0,0|1,0,0]=3 7873 B12R1.25 O=CCOc1cccc(c1Br)I 34a_100010187914_200009817547 [0,2,0,0,0,0|1,0,0]=3 7874 B12R1.25 O=CCOc1cccc(c1Br)I 7a_100010187914_200015260668 [0,2,0,0,0,0|1,0,0]=3 7875 B12R1.25 O=CCOc1cccc(c1Cl)Br 34a_100010187913_200009817547 [0,2,0,0,0,0|1,0,0]=3 7876 B12R1.25 O=CCOc1cccc(c1Cl)Br 7a_100010187913_200015260668 [0,2,0,0,0,0|1,0,0]=3 7877 B12R1.25 O=CCOc1cccc(c1Cl)Cl 34a_100000211076_200009817547 [0,2,0,0,0,0|1,0,0]=3 7878 B12R1.25 O=CCOc1cccc(c1Cl)Cl 7a_100000211076_200015260668 [0,2,0,0,0,0|1,0,0]=3 7879 B12R1.25 O=CCOc1cccc(c1Cl)F 34a_100000087408_200009817547 [0,2,0,0,0,0|1,0,0]=3 7880 B12R1.25 O=CCOc1cccc(c1Cl)F 7a_100000087408_200015260668 [0,2,0,0,0,0|1,0,0]=3 7881 B12R1.25 O=CCOc1cccc(c1Cl)I 34a_100000049636_200009817547 [0,2,0,0,0,0|1,0,0]=3 7882 B12R1.25 O=CCOc1cccc(c1Cl)I 7a_100000049636_200015260668 [0,2,0,0,0,0|1,0,0]=3 7883 B12R1.25 O=CCOc1cccc(c1F)Br 34a_100009817021_200009817547 [0,2,0,0,0,0|1,0,0]=3 7884 B12R1.25 O=CCOc1cccc(c1F)Br 7a_100009817021_200015260668 [0,2,0,0,0,0|1,0,0]=3 7885 B12R1.25 O=CCOc1cccc(c1F)Cl 34a_100000687438_200009817547 [0,2,0,0,0,0|1,0,0]=3 7886 B12R1.25 O=CCOc1cccc(c1F)Cl 7a_100000687438_200015260668 [0,2,0,0,0,0|1,0,0]=3 7887 B12R1.25 O=CCOc1cccc(c1F)F 34a_100000751161_200009817547 [0,2,0,0,0,0|1,0,0]=3 7888 B12R1.25 O=CCOc1cccc(c1F)F 7a_100000751161_200015260668 [0,2,0,0,0,0|1,0,0]=3 7889 B12R1.25 O=CCOc1cccc(c1I)Br 34a_100010187912_200009817547 [0,2,0,0,0,0|1,0,0]=3 7890 B12R1.25 O=CCOc1cccc(c1I)Br 7a_100010187912_200015260668 [0,2,0,0,0,0|1,0,0]=3 7891 B12R1.25 O=CCOc1cccc(c1I)Cl 34a_100000050174_200009817547 [0,2,0,0,0,0|1,0,0]=3 7892 B12R1.25 O=CCOc1cccc(c1I)Cl 7a_100000050174_200015260668 [0,2,0,0,0,0|1,0,0]=3 7893 B12R1.25 O=CCOc1cccc(c1I)F 34a_100000690913_200009817547 [0,2,0,0,0,0|1,0,0]=3 7894 B12R1.25 O=CCOc1cccc(c1I)F 7a_100000690913_200015260668 [0,2,0,0,0,0|1,0,0]=3 7895 B12R1.25 O=CCOc1ccnc(c1Br)Cl 34a_100010136240_200009817547 [0,2,0,0,0,0|2,0,0]=4 7896 B12R1.25 O=CCOc1ccnc(c1Cl)Cl 34a_100009860235_200009817547 [0,2,0,0,0,0|2,0,0]=4 7897 B12R1.25 O=CCOc1ccnc(c1F)Br 34a_100009876375_200009817547 [0,2,0,0,0,0|2,0,0]=4 7898 B12R1.25 O=CCOc1ccnc(c1F)Cl 34a_100009856406_200009817547 [0,2,0,0,0,0|2,0,0]=4 7899 B12R1.25 O=CCSc1cccc(c1Br)Br 62a_100010175083_200015260668 [0,2,0,0,0,0|1,1,0]=4 7900 B12R1.25 O=CCSc1cccc(c1Br)Br 62a_200015260668_100010175083 [0,2,0,0,0,0|1,1,0]=4 7901 B12R1.25 O=CCSc1cccc(c1Br)Cl 62a_100014021842_200015260668 [0,2,0,0,0,0|1,1,0]=4 7902 B12R1.25 O=CCSc1cccc(c1Br)Cl 62a_200015260668_100014021842 [0,2,0,0,0,0|1,1,0]=4 7903 B12R1.25 O=CCSc1cccc(c1Br)F 62a_100010202630_200015260668 [0,2,0,0,0,0|1,1,0]=4 7904 B12R1.25 O=CCSc1cccc(c1Br)F 62a_200015260668_100010202630 [0,2,0,0,0,0|1,1,0]=4 7905 B12R1.25 O=CCSc1cccc(c1Br)O 62a_100010187914_200015260668 [0,2,0,0,0,0|1,1,0]=4 7906 B12R1.25 O=CCSc1cccc(c1Br)O 62a_200015260668_100010187914 [0,2,0,0,0,0|1,1,0]=4 7907 B12R1.25 O=CCSc1cccc(c1Cl)Br 62a_100010142854_200015260668 [0,2,0,0,0,0|1,1,0]=4 7908 B12R1.25 O=CCSc1cccc(c1Cl)Br 62a_200015260668_100010142854 [0,2,0,0,0,0|1,1,0]=4 7909 B12R1.25 O=CCSc1cccc(c1Cl)Cl 62a_100011215384_200015260668 [0,2,0,0,0,0|1,1,0]=4 7910 B12R1.25 O=CCSc1cccc(c1Cl)Cl 62a_200015260668_100011215384 [0,2,0,0,0,0|1,1,0]=4 7911 B12R1.25 O=CCSc1cccc(c1Cl)F 62a_200010234923_200015260668 [0,2,0,0,0,0|1,1,0]=4 7912 B12R1.25 O=CCSc1cccc(c1Cl)F 62a_200015260668_200010234923 [0,2,0,0,0,0|1,1,0]=4 7913 B12R1.25 O=CCSc1cccc(c1Cl)O 62a_200015260668_100000049636 [0,2,0,0,0,0|1,1,0]=4 7914 B12R1.25 O=CCSc1cccc(c1F)Br 62a_100000702267_200015260668 [0,2,0,0,0,0|1,1,0]=4 7915 B12R1.25 O=CCSc1cccc(c1F)Br 62a_200015260668_100000702267 [0,2,0,0,0,0|1,1,0]=4 7916 B12R1.25 O=CCSc1cccc(c1F)Cl 62a_100011217346_200015260668 [0,2,0,0,0,0|1,1,0]=4 7917 B12R1.25 O=CCSc1cccc(c1F)Cl 62a_200015260668_100011217346 [0,2,0,0,0,0|1,1,0]=4 7918 B12R1.25 O=CCSc1cccc(c1F)F 62a_100000694657_200015260668 [0,2,0,0,0,0|1,1,0]=4 7919 B12R1.25 O=CCSc1cccc(c1F)F 62a_200015260668_100000694657 [0,2,0,0,0,0|1,1,0]=4 7920 B12R1.25 O=CCSc1cccc(c1F)O 62a_100009817021_200015260668 [0,2,0,0,0,0|1,1,0]=4 7921 B12R1.25 O=CCSc1cccc(c1F)O 62a_200015260668_100009817021 [0,2,0,0,0,0|1,1,0]=4 7922 B12R1.25 O=CCSc1cccc(c1O)Br 62a_100010084509_200015260668 [0,2,0,0,0,0|1,1,0]=4 7923 B12R1.25 O=CCSc1cccc(c1O)Br 62a_200015260668_100010084509 [0,2,0,0,0,0|1,1,0]=4 7924 B12R1.25 O=CCSc1cccc(c1O)Cl 62a_100010202889_200015260668 [0,2,0,0,0,0|1,1,0]=4 7925 B12R1.25 O=CCSc1cccc(c1O)Cl 62a_200015260668_100010202889 [0,2,0,0,0,0|1,1,0]=4 7926 B12R1.25 O=CCSc1cccc(c1O)F 62a_100009813666_200015260668 [0,2,0,0,0,0|1,1,0]=4 7927 B12R1.25 O=CCSc1cccc(c1O)F 62a_200015260668_100009813666 [0,2,0,0,0,0|1,1,0]=4 7928 B12R1.25 O=CCSc1cccc(c1O)O 62a_200015260668_100009815950 [0,2,0,0,0,0|1,1,0]=4 7929 B12R1.25 OCCOc1cccc(c1Br)Br 34a_100010187966_100000211926 [0,2,0,0,0,0|1,0,1]=4 7930 B12R1.25 OCCOc1cccc(c1Br)Br 7a_100010187966_100000211926 [0,2,0,0,0,0|1,0,1]=4 7931 B12R1.25 OCCOc1cccc(c1Br)Cl 34a_100012348804_100000211926 [0,2,0,0,0,0|1,0,1]=4 7932 B12R1.25 OCCOc1cccc(c1Br)Cl 7a_100012348804_100000211926 [0,2,0,0,0,0|1,0,1]=4 7933 B12R1.25 OCCOc1cccc(c1Br)F 34a_100009820682_100000211926 [0,2,0,0,0,0|1,0,1]=4 7934 B12R1.25 OCCOc1cccc(c1Br)F 7a_100009820682_100000211926 [0,2,0,0,0,0|1,0,1]=4 7935 B12R1.25 OCCOc1cccc(c1Br)I 34a_100010187914_100000211926 [0,2,0,0,0,0|1,0,1]=4 7936 B12R1.25 OCCOc1cccc(c1Br)I 7a_100010187914_100000211926 [0,2,0,0,0,0|1,0,1]=4 7937 B12R1.25 OCCOc1cccc(c1Cl)Br 34a_100010187913_100000211926 [0,2,0,0,0,0|1,0,1]=4 7938 B12R1.25 OCCOc1cccc(c1Cl)Br 7a_100010187913_100000211926 [0,2,0,0,0,0|1,0,1]=4 7939 B12R1.25 OCCOc1cccc(c1Cl)Cl 34a_100000211076_100000211926 [0,2,0,0,0,0|1,0,1]=4 7940 B12R1.25 OCCOc1cccc(c1Cl)Cl 7a_100000211076_100000211926 [0,2,0,0,0,0|1,0,1]=4 7941 B12R1.25 OCCOc1cccc(c1Cl)F 34a_100000087408_100000211926 [0,2,0,0,0,0|1,0,1]=4 7942 B12R1.25 OCCOc1cccc(c1Cl)F 7a_100000087408_100000211926 [0,2,0,0,0,0|1,0,1]=4 7943 B12R1.25 OCCOc1cccc(c1Cl)I 34a_100000049636_100000211926 [0,2,0,0,0,0|1,0,1]=4 7944 B12R1.25 OCCOc1cccc(c1Cl)I 7a_100000049636_100000211926 [0,2,0,0,0,0|1,0,1]=4 7945 B12R1.25 OCCOc1cccc(c1F)Br 34a_100009817021_100000211926 [0,2,0,0,0,0|1,0,1]=4 7946 B12R1.25 OCCOc1cccc(c1F)Br 7a_100009817021_100000211926 [0,2,0,0,0,0|1,0,1]=4 7947 B12R1.25 OCCOc1cccc(c1F)Cl 34a_100000687438_100000211926 [0,2,0,0,0,0|1,0,1]=4 7948 B12R1.25 OCCOc1cccc(c1F)Cl 7a_100000687438_100000211926 [0,2,0,0,0,0|1,0,1]=4 7949 B12R1.25 OCCOc1cccc(c1F)F 34a_100000751161_100000211926 [0,2,0,0,0,0|1,0,1]=4 7950 B12R1.25 OCCOc1cccc(c1F)F 7a_100000751161_100000211926 [0,2,0,0,0,0|1,0,1]=4 7951 B12R1.25 OCCOc1cccc(c1I)Br 34a_100010187912_100000211926 [0,2,0,0,0,0|1,0,1]=4 7952 B12R1.25 OCCOc1cccc(c1I)Br 7a_100010187912_100000211926 [0,2,0,0,0,0|1,0,1]=4 7953 B12R1.25 OCCOc1cccc(c1I)Cl 34a_100000050174_100000211926 [0,2,0,0,0,0|1,0,1]=4 7954 B12R1.25 OCCOc1cccc(c1I)Cl 7a_100000050174_100000211926 [0,2,0,0,0,0|1,0,1]=4 7955 B12R1.25 OCCOc1cccc(c1I)F 34a_100000690913_100000211926 [0,2,0,0,0,0|1,0,1]=4 7956 B12R1.25 OCCOc1cccc(c1I)F 7a_100000690913_100000211926 [0,2,0,0,0,0|1,0,1]=4 7957 B12R1.121 C#CCOc1ccccc1C#C 34a_200011470546_100000184674 [0,2,0,0,0,0|0,0,2]=4 7958 B12R1.121 C#CCOc1ccccc1C#C 7a_200011470546_100000038162 [0,2,0,0,0,0|0,0,2]=4 7959 B12R1.121 C#CCOc1ccccc1C#N 34a_100000211048_100000184674 [0,2,0,0,0,0|0,0,2]=4 7960 B12R1.121 C#CCOc1ccccc1C#N 7a_100000211048_100000038162 [0,2,0,0,0,0|0,0,2]=4 7961 B12R1.121 C#CCOc1ccccc1CC 34a_100000210936_100000184674 [0,2,0,0,0,0|0,0,2]=4 7962 B12R1.121 C#CCOc1ccccc1CC 7a_100000210936_100000038162 [0,2,0,0,0,0|0,0,2]=4 7963 B12R1.121 C#CCOc1ccccc1CN 34a_100000185550_100000184674 [0,2,0,0,0,0|0,0,2]=4 7964 B12R1.121 C#CCOc1ccccc1CO 34a_100011216872_100000184674 [0,2,0,0,0,0|0,0,2]=4 7965 B12R1.121 C#CCOc1ccccc1NC 34a_100000033821_100000184674 [0,2,0,0,0,0|0,0,2]=4 7966 B12R1.121 C#CCOc1ccccc1NC 34a_100000707309_200000210301 [0,2,0,0,0,0|0,0,2]=4 7967 B12R1.121 C#CCOc1ccccc1N[13CH3] 34a_100000707309_200025704644 [0,2,0,0,0,0|0,0,2]=4 7968 B12R1.121 C#CCOc1ccccc1OC 34a_100000210385_100000184674 [0,2,0,0,0,0|0,0,2]=4 7969 B12R1.121 C#CCOc1ccccc1SC 34a_100011216402_100000184674 [0,2,0,0,0,0|0,0,2]=4 7970 B12R1.121 C#Cc1ccccc1NCC=C 34a_100011470550_100015514636 [0,2,0,0,0,0|1,0,0]=3 7971 B12R1.121 C#Cc1ccccc1NCC=O 34a_100011470550_200009817547 [0,2,0,0,0,0|2,0,0]=4 7972 B12R1.121 C#Cc1ccccc1OCC#N 7a_200011470546_100011215382 [0,2,0,0,0,0|1,0,1]=4 7973 B12R1.121 C#Cc1ccccc1OCC=C 34a_200011470546_100015514636 [0,2,0,0,0,0|0,0,0]=2 7974 B12R1.121 C#Cc1ccccc1OCC=C 7a_200011470546_100015514636 [0,2,0,0,0,0|0,0,0]=2 7975 B12R1.121 C#Cc1ccccc1OCC=O 34a_200011470546_200009817547 [0,2,0,0,0,0|1,0,0]=3 7976 B12R1.121 C#Cc1ccccc1OCC=O 7a_200011470546_200015260668 [0,2,0,0,0,0|1,0,0]=3 7977 B12R1.121 C#Cc1ccccc1OCCC 34a_200011470546_100000210303 [0,2,0,0,0,0|0,0,2]=4 7978 B12R1.121 C#Cc1ccccc1OCCC 7a_200011470546_100000210303 [0,2,0,0,0,0|0,0,2]=4 7979 B12R1.121 C#Cc1ccccc1OCCF 34a_200011470546_100011217306 [0,2,0,0,0,0|1,0,1]=4 7980 B12R1.121 C#Cc1ccccc1OCCF 7a_200011470546_100011217306 [0,2,0,0,0,0|1,0,1]=4 7981 B12R1.121 C#Cc1ccccc1OCCO 34a_200011470546_100000211926 [0,2,0,0,0,0|1,0,1]=4 7982 B12R1.121 C#Cc1ccccc1OCCO 7a_200011470546_100000211926 [0,2,0,0,0,0|1,0,1]=4 7983 B12R1.121 C#Cc1ccccc1OCSC 34a_200011470546_100011218213 [0,2,0,0,0,0|1,0,1]=4 7984 B12R1.121 C=CCNc1ccccc1C#N 34a_100000211148_100015514636 [0,2,0,0,0,0|1,0,0]=3 7985 B12R1.121 C=CCNc1ccccc1C=C 34a_100012022501_100015514636 [0,2,0,0,0,0|1,0,0]=3 7986 B12R1.121 C=CCNc1ccccc1CC 2230a_100000212081_100000210623 [0,2,0,0,0,0|1,0,0]=3 7987 B12R1.121 C=CCNc1ccccc1CC 34a_100000212081_100015514636 [0,2,0,0,0,0|1,0,0]=3 7988 B12R1.121 C=CCNc1ccccc1CC 7a_100000212081_100015514636 [0,2,0,0,0,0|1,0,0]=3 7989 B12R1.121 C=CCNc1ccccc1CO 34a_100000212039_100015514636 [0,2,0,0,0,0|1,0,0]=3 7990 B12R1.121 C=CCNc1ccccc1OC 34a_100000210025_100015514636 [0,2,0,0,0,0|1,0,0]=3 7991 B12R1.121 C=CCNc1ccccc1SC 34a_100000211160_100015514636 [0,2,0,0,0,0|1,0,0]=3 7992 B12R1.121 C=CCNc1ccncc1C#N 27a_100020586998_100000687039 [0,2,0,0,0,0|2,0,0]=4 7993 B12R1.121 C=CCNc1ccncc1CO 27a_100020586998_100000117392 [0,2,0,0,0,0|2,0,0]=4 7994 B12R1.121 C=CCNc1cnccc1C#N 27a_100020586998_100000684818 [0,2,0,0,0,0|2,0,0]=4 7995 B12R1.121 C=CCNc1ncccc1C#N 27a_100020586998_100000211984 [0,2,0,0,0,0|2,0,0]=4 7996 B12R1.121 C=CCOc1ccccc1C#N 34a_100000211048_100015514636 [0,2,0,0,0,0|0,0,0]=2 7997 B12R1.121 C=CCOc1ccccc1C#N 7a_100000211048_100015514636 [0,2,0,0,0,0|0,0,0]=2 7998 B12R1.121 C=CCOc1ccccc1CC 34a_100000210936_100015514636 [0,2,0,0,0,0|0,0,0]=2 7999 B12R1.121 C=CCOc1ccccc1CC 7a_100000210936_100015514636 [0,2,0,0,0,0|0,0,0]=2 8000 B12R1.121 C=CCOc1ccccc1CN 34a_100000185550_100015514636 [0,2,0,0,0,0|0,0,0]=2 8001 B12R1.121 C=CCOc1ccccc1CO 34a_100011216872_100015514636 [0,2,0,0,0,0|0,0,0]=2 8002 B12R1.121 C=CCOc1ccccc1NC 34a_100000033821_100015514636 [0,2,0,0,0,0|0,0,0]=2 8003 B12R1.121 C=CCOc1ccccc1OC 34a_100000210385_100015514636 [0,2,0,0,0,0|0,0,0]=2 8004 B12R1.121 C=CCOc1ccccc1OC 34a_200011262142_200000210301 [0,2,0,0,0,0|0,0,0]=2 8005 B12R1.121 C=CCOc1ccccc1OC 7a_200011262142_200000210301 [0,2,0,0,0,0|0,0,0]=2 8006 B12R1.121 C=CCOc1ccccc1O[13CH3] 34a_200011262142_200025704644 [0,2,0,0,0,0|0,0,0]=2 8007 B12R1.121 C=CCOc1ccccc1O[13CH3] 7a_200011262142_200025704644 [0,2,0,0,0,0|0,0,0]=2 8008 B12R1.121 C=CCOc1ccccc1SC 34a_100011216402_100015514636 [0,2,0,0,0,0|0,0,0]=2 8009 B12R1.121 C=CCOc1cccnc1C#N 34a_100000722750_100015514636 [0,2,0,0,0,0|1,0,0]=3 8010 B12R1.121 C=CCOc1cccnc1C#N 7a_100000722750_100015514636 [0,2,0,0,0,0|1,0,0]=3 8011 B12R1.121 C=CCOc1cccnc1CBr 34a_200020655725_100015514636 [0,2,0,0,0,0|1,0,0]=3 8012 B12R1.121 C=CCOc1cccnc1CBr 7a_200020655725_100015514636 [0,2,0,0,0,0|1,0,0]=3 8013 B12R1.121 C=CCOc1cccnc1CO 34a_100000731849_100015514636 [0,2,0,0,0,0|1,0,0]=3 8014 B12R1.121 C=CCOc1cccnc1OC 34a_100000698397_100015514636 [0,2,0,0,0,0|1,0,0]=3 8015 B12R1.121 C=CCOc1cccnc1OC 7a_100000698397_100015514636 [0,2,0,0,0,0|1,0,0]=3 8016 B12R1.121 C=CCOc1cnccc1C#N 7a_100012181322_100015514636 [0,2,0,0,0,0|1,0,0]=3 8017 B12R1.121 C=CCOc1cnccc1CO 34a_100000078615_100015514636 [0,2,0,0,0,0|1,0,0]=3 8018 B12R1.121 C=CCOc1cnccc1OC 34a_100000101186_100015514636 [0,2,0,0,0,0|1,0,0]=3 8019 B12R1.121 C=CCOc1ncccc1OC 34a_100025773188_100015514636 [0,2,0,0,0,0|1,0,0]=3 8020 B12R1.121 C=CCSc1ccccc1C#N 62a_100000210623_100000188569 [0,2,0,0,0,0|0,1,0]=3 8021 B12R1.121 C=CCSc1ccccc1C=C 62a_100000210623_100011218376 [0,2,0,0,0,0|0,1,0]=3 8022 B12R1.121 C=CCSc1ccccc1C=C 62a_100011218376_100000210623 [0,2,0,0,0,0|0,1,0]=3 8023 B12R1.121 C=CCSc1ccccc1C=O 62a_100000210073_100000210623 [0,2,0,0,0,0|0,1,0]=3 8024 B12R1.121 C=CCSc1ccccc1C=O 62a_100000210623_100000210073 [0,2,0,0,0,0|0,1,0]=3 8025 B12R1.121 C=CCSc1ccccc1CC 62a_100000210623_100011215823 [0,2,0,0,0,0|0,1,0]=3 8026 B12R1.121 C=CCSc1ccccc1CC 62a_100011215823_100000210623 [0,2,0,0,0,0|0,1,0]=3 8027 B12R1.121 C=CCSc1ccccc1CN 62a_100000210623_100000689332 [0,2,0,0,0,0|0,1,0]=3 8028 B12R1.121 C=CCSc1ccccc1CN 62a_100000689332_100000210623 [0,2,0,0,0,0|0,1,0]=3 8029 B12R1.121 C=CCSc1ccccc1CO 62a_100000187465_100000210623 [0,2,0,0,0,0|0,1,0]=3 8030 B12R1.121 C=CCSc1ccccc1CO 62a_100000210623_100000187465 [0,2,0,0,0,0|0,1,0]=3 8031 B12R1.121 C=CCSc1ccccc1NC 2230a_100000198565_200000210301 [0,2,0,0,0,0|0,1,0]=3 8032 B12R1.121 C=CCSc1ccccc1NC 62a_100000210623_100020606079 [0,2,0,0,0,0|0,1,0]=3 8033 B12R1.121 C=CCSc1ccccc1NC 62a_100020606079_100000210623 [0,2,0,0,0,0|0,1,0]=3 8034 B12R1.121 C=CCSc1ccccc1NC 7a_100000198565_200000210301 [0,2,0,0,0,0|0,1,0]=3 8035 B12R1.121 C=CCSc1ccccc1NN 62a_100000210623_100000241748 [0,2,0,0,0,0|0,1,0]=3 8036 B12R1.121 C=CCSc1ccccc1NN 62a_100000241748_100000210623 [0,2,0,0,0,0|0,1,0]=3 8037 B12R1.121 C=CCSc1ccccc1N[13CH3] 2230a_100000198565_200025704644 [0,2,0,0,0,0|0,1,0]=3 8038 B12R1.121 C=CCSc1ccccc1N[13CH3] 7a_100000198565_200025704644 [0,2,0,0,0,0|0,1,0]=3 8039 B12R1.121 C=CCSc1ccccc1OC 62a_100000210334_100000210623 [0,2,0,0,0,0|0,1,0]=3 8040 B12R1.121 C=CCSc1ccccc1OC 62a_100000210623_100000210334 [0,2,0,0,0,0|0,1,0]=3 8041 B12R1.121 C=CCSc1ccccc1SC 62a_100000210623_100011217816 [0,2,0,0,0,0|0,1,0]=3 8042 B12R1.121 C=CCSc1ccccc1SC 62a_100011217816_100000210623 [0,2,0,0,0,0|0,1,0]=3 8043 B12R1.121 C=CCSc1cccnc1C#N 62a_100000210623_100000685805 [0,2,0,0,0,0|1,1,0]=4 8044 B12R1.121 C=CCSc1cccnc1C=O 62a_100000210623_100011934733 [0,2,0,0,0,0|1,1,0]=4 8045 B12R1.121 C=CCSc1cccnc1C=O 62a_100011934733_100000210623 [0,2,0,0,0,0|1,1,0]=4 8046 B12R1.121 C=CCSc1cccnc1CC 62a_100000210623_100009877225 [0,2,0,0,0,0|1,1,0]=4 8047 B12R1.121 C=CCSc1cccnc1CC 62a_100009877225_100000210623 [0,2,0,0,0,0|1,1,0]=4 8048 B12R1.121 C=CCSc1cccnc1CN 62a_100000210623_100020591323 [0,2,0,0,0,0|1,1,0]=4 8049 B12R1.121 C=CCSc1cccnc1CN 62a_100020591323_100000210623 [0,2,0,0,0,0|1,1,0]=4 8050 B12R1.121 C=CCSc1cccnc1CO 62a_100000210623_100011996772 [0,2,0,0,0,0|1,1,0]=4 8051 B12R1.121 C=CCSc1cccnc1CO 62a_100011996772_100000210623 [0,2,0,0,0,0|1,1,0]=4 8052 B12R1.121 C=CCSc1cccnc1NC 62a_100000210623_100000700899 [0,2,0,0,0,0|1,1,0]=4 8053 B12R1.121 C=CCSc1cccnc1NC 62a_100000700899_100000210623 [0,2,0,0,0,0|1,1,0]=4 8054 B12R1.121 C=CCSc1cccnc1NN 62a_100000210623_100011464834 [0,2,0,0,0,0|1,1,0]=4 8055 B12R1.121 C=CCSc1cccnc1NN 62a_100011464834_100000210623 [0,2,0,0,0,0|1,1,0]=4 8056 B12R1.121 C=CCSc1cccnc1OC 62a_100000047025_100000210623 [0,2,0,0,0,0|1,1,0]=4 8057 B12R1.121 C=CCSc1cccnc1OC 62a_100000210623_100000047025 [0,2,0,0,0,0|1,1,0]=4 8058 B12R1.121 C=CCSc1cccnc1SC 62a_100000210623_100011465278 [0,2,0,0,0,0|1,1,0]=4 8059 B12R1.121 C=CCSc1cccnc1SC 62a_100011465278_100000210623 [0,2,0,0,0,0|1,1,0]=4 8060 B12R1.121 C=CCSc1ccncc1C#N 62a_100000210623_100000687039 [0,2,0,0,0,0|1,1,0]=4 8061 B12R1.121 C=CCSc1ccncc1C=O 62a_100000050567_100000210623 [0,2,0,0,0,0|1,1,0]=4 8062 B12R1.121 C=CCSc1ccncc1C=O 62a_100000210623_100000050567 [0,2,0,0,0,0|1,1,0]=4 8063 B12R1.121 C=CCSc1ccncc1CC 62a_100000210623_100025704421 [0,2,0,0,0,0|1,1,0]=4 8064 B12R1.121 C=CCSc1ccncc1CC 62a_100025704421_100000210623 [0,2,0,0,0,0|1,1,0]=4 8065 B12R1.121 C=CCSc1ccncc1CO 62a_100000117392_100000210623 [0,2,0,0,0,0|1,1,0]=4 8066 B12R1.121 C=CCSc1ccncc1CO 62a_100000210623_100000117392 [0,2,0,0,0,0|1,1,0]=4 8067 B12R1.121 C=CCSc1ccncc1OC 62a_100000210623_100016988167 [0,2,0,0,0,0|1,1,0]=4 8068 B12R1.121 C=CCSc1ccncc1OC 62a_100016988167_100000210623 [0,2,0,0,0,0|1,1,0]=4 8069 B12R1.121 C=CCSc1cnccc1C#N 62a_100000210623_100000684818 [0,2,0,0,0,0|1,1,0]=4 8070 B12R1.121 C=CCSc1cnccc1C=O 62a_100000210623_100011934409 [0,2,0,0,0,0|1,1,0]=4 8071 B12R1.121 C=CCSc1cnccc1C=O 62a_100011934409_100000210623 [0,2,0,0,0,0|1,1,0]=4 8072 B12R1.121 C=CCSc1cnccc1CC 62a_100000210623_100009819861 [0,2,0,0,0,0|1,1,0]=4 8073 B12R1.121 C=CCSc1cnccc1CC 62a_100009819861_100000210623 [0,2,0,0,0,0|1,1,0]=4 8074 B12R1.121 C=CCSc1cnccc1CN 62a_100000210623_100020640021 [0,2,0,0,0,0|1,1,0]=4 8075 B12R1.121 C=CCSc1cnccc1CN 62a_100020640021_100000210623 [0,2,0,0,0,0|1,1,0]=4 8076 B12R1.121 C=CCSc1cnccc1CO 62a_100000210623_100009873359 [0,2,0,0,0,0|1,1,0]=4 8077 B12R1.121 C=CCSc1cnccc1CO 62a_100009873359_100000210623 [0,2,0,0,0,0|1,1,0]=4 8078 B12R1.121 C=CCSc1cnccc1NC 62a_100000210623_100010069531 [0,2,0,0,0,0|1,1,0]=4 8079 B12R1.121 C=CCSc1cnccc1NC 62a_100010069531_100000210623 [0,2,0,0,0,0|1,1,0]=4 8080 B12R1.121 C=CCSc1cnccc1NN 62a_100000210623_100013404636 [0,2,0,0,0,0|1,1,0]=4 8081 B12R1.121 C=CCSc1cnccc1NN 62a_100013404636_100000210623 [0,2,0,0,0,0|1,1,0]=4 8082 B12R1.121 C=CCSc1cnccc1OC 62a_100000210623_100011997281 [0,2,0,0,0,0|1,1,0]=4 8083 B12R1.121 C=CCSc1cnccc1OC 62a_100011997281_100000210623 [0,2,0,0,0,0|1,1,0]=4 8084 B12R1.121 C=CCSc1ncccc1C#N 62a_100000210623_100000211984 [0,2,0,0,0,0|1,1,0]=4 8085 B12R1.121 C=CCSc1ncccc1C=O 62a_100000210623_100009816751 [0,2,0,0,0,0|1,1,0]=4 8086 B12R1.121 C=CCSc1ncccc1C=O 62a_100009816751_100000210623 [0,2,0,0,0,0|1,1,0]=4 8087 B12R1.121 C=CCSc1ncccc1CN 62a_100000210623_100015189234 [0,2,0,0,0,0|1,1,0]=4 8088 B12R1.121 C=CCSc1ncccc1CN 62a_100015189234_100000210623 [0,2,0,0,0,0|1,1,0]=4 8089 B12R1.121 C=CCSc1ncccc1CO 62a_100000210623_100000748726 [0,2,0,0,0,0|1,1,0]=4 8090 B12R1.121 C=CCSc1ncccc1CO 62a_100000748726_100000210623 [0,2,0,0,0,0|1,1,0]=4 8091 B12R1.121 C=CCSc1ncccc1NC 62a_100000210623_200011806188 [0,2,0,0,0,0|1,1,0]=4 8092 B12R1.121 C=CCSc1ncccc1OC 62a_100000210623_100000690851 [0,2,0,0,0,0|1,1,0]=4 8093 B12R1.121 C=CCSc1ncccc1OC 62a_100000767102_100000210623 [0,2,0,0,0,0|1,1,0]=4 8094 B12R1.121 C=Cc1ccccc1CCC=O 271570a_100011290941_100011713448 [0,2,0,0,0,0|2,0,0]=4 8095 B12R1.121 C=Cc1ccccc1NCC=O 34a_100012022501_200009817547 [0,2,0,0,0,0|2,0,0]=4 8096 B12R1.121 C=Cc1ccccc1OCC#N 271570a_100011290941_200000173881 [0,2,0,0,0,0|1,0,1]=4 8097 B12R1.121 C=Cc1ccccc1OCCC 271570a_100011290941_100000174042 [0,2,0,0,0,0|0,0,2]=4 8098 B12R1.121 C=Cc1ccccc1OCCN 271570a_100011290941_100000744007 [0,2,0,0,0,0|1,0,1]=4 8099 B12R1.121 C=Cc1ccccc1OCCO 271570a_100011290941_100000230753 [0,2,0,0,0,0|1,0,1]=4 8100 B12R1.121 C=Cc1ccccc1OCOC 271570a_100011290941_200000230759 [0,2,0,0,0,0|1,0,1]=4 8101 B12R1.121 C=Cc1ccccc1SCC=O 62a_100011218376_200015260668 [0,2,0,0,0,0|1,1,0]=4 8102 B12R1.121 C=Cc1ccccc1SCC=O 62a_200015260668_100011218376 [0,2,0,0,0,0|1,1,0]=4 8103 B12R1.121 CCCOc1ccccc1C#N 34a_100000211048_100000210303 [0,2,0,0,0,0|0,0,2]=4 8104 B12R1.121 CCCOc1ccccc1C#N 7a_100000211048_100000210303 [0,2,0,0,0,0|0,0,2]=4 8105 B12R1.121 CCCOc1ccccc1CC 34a_100000210936_100000210303 [0,2,0,0,0,0|0,0,2]=4 8106 B12R1.121 CCCOc1ccccc1CC 7a_100000210936_100000210303 [0,2,0,0,0,0|0,0,2]=4 8107 B12R1.121 CCCOc1ccccc1CN 34a_100000185550_100000210303 [0,2,0,0,0,0|0,0,2]=4 8108 B12R1.121 CCCOc1ccccc1CO 34a_100011216872_100000210303 [0,2,0,0,0,0|0,0,2]=4 8109 B12R1.121 CCCOc1ccccc1NC 27a_100102657272_100000174042 [0,2,0,0,0,0|0,0,2]=4 8110 B12R1.121 CCCOc1ccccc1NC 34a_100000033821_100000210303 [0,2,0,0,0,0|0,0,2]=4 8111 B12R1.121 CCCOc1ccccc1NC 34a_100000683936_200000210301 [0,2,0,0,0,0|0,0,2]=4 8112 B12R1.121 CCCOc1ccccc1N[13CH3] 34a_100000683936_200025704644 [0,2,0,0,0,0|0,0,2]=4 8113 B12R1.121 CCCOc1ccccc1OC 34a_100000180214_200000210301 [0,2,0,0,0,0|0,0,2]=4 8114 B12R1.121 CCCOc1ccccc1OC 34a_100000210385_100000210303 [0,2,0,0,0,0|0,0,2]=4 8115 B12R1.121 CCCOc1ccccc1OC 7a_100000180214_200000210301 [0,2,0,0,0,0|0,0,2]=4 8116 B12R1.121 CCCOc1ccccc1O[13CH3] 34a_100000180214_200025704644 [0,2,0,0,0,0|0,0,2]=4 8117 B12R1.121 CCCOc1ccccc1O[13CH3] 7a_100000180214_200025704644 [0,2,0,0,0,0|0,0,2]=4 8118 B12R1.121 CCCOc1ccccc1SC 34a_100011216402_100000210303 [0,2,0,0,0,0|0,0,2]=4 8119 B12R1.121 CCCOc1ccccc1SC 62a_100000174042_200000210301 [0,2,0,0,0,0|0,0,2]=4 8120 B12R1.121 CCCOc1ccccc1SC 62a_200000210301_100000174042 [0,2,0,0,0,0|0,0,2]=4 8121 B12R1.121 CCCOc1ccccc1S[13CH3] 62a_100000174042_200025704644 [0,2,0,0,0,0|0,0,2]=4 8122 B12R1.121 CCCOc1ccccc1S[13CH3] 62a_200025704644_100000174042 [0,2,0,0,0,0|0,0,2]=4 8123 B12R1.121 CCc1ccccc1NCC=O 2230a_100000212081_200015260668 [0,2,0,0,0,0|2,0,0]=4 8124 B12R1.121 CCc1ccccc1NCC=O 34a_100000212081_200009817547 [0,2,0,0,0,0|2,0,0]=4 8125 B12R1.121 CCc1ccccc1NCC=O 7a_100000212081_200015260668 [0,2,0,0,0,0|2,0,0]=4 8126 B12R1.121 CCc1ccccc1OCC#N 7a_100000210936_100011215382 [0,2,0,0,0,0|1,0,1]=4 8127 B12R1.121 CCc1ccccc1OCC=O 34a_100000210936_200009817547 [0,2,0,0,0,0|1,0,0]=3 8128 B12R1.121 CCc1ccccc1OCC=O 7a_100000210936_200015260668 [0,2,0,0,0,0|1,0,0]=3 8129 B12R1.121 CCc1ccccc1OCCF 34a_100000210936_100011217306 [0,2,0,0,0,0|1,0,1]=4 8130 B12R1.121 CCc1ccccc1OCCF 7a_100000210936_100011217306 [0,2,0,0,0,0|1,0,1]=4 8131 B12R1.121 CCc1ccccc1OCCO 34a_100000210936_100000211926 [0,2,0,0,0,0|1,0,1]=4 8132 B12R1.121 CCc1ccccc1OCCO 7a_100000210936_100000211926 [0,2,0,0,0,0|1,0,1]=4 8133 B12R1.121 CCc1ccccc1OCSC 34a_100000210936_100011218213 [0,2,0,0,0,0|1,0,1]=4 8134 B12R1.121 CCc1ccccc1SCC=O 62a_100011215823_200015260668 [0,2,0,0,0,0|1,1,0]=4 8135 B12R1.121 CCc1ccccc1SCC=O 62a_200015260668_100011215823 [0,2,0,0,0,0|1,1,0]=4 8136 B12R1.121 CNc1ccccc1OCC=O 34a_100000033821_200009817547 [0,2,0,0,0,0|1,0,0]=3 8137 B12R1.121 CNc1ccccc1OCCF 34a_100000033821_100011217306 [0,2,0,0,0,0|1,0,1]=4 8138 B12R1.121 CNc1ccccc1OCCF 34a_100012000959_200000210301 [0,2,0,0,0,0|1,0,1]=4 8139 B12R1.121 CNc1ccccc1OCCO 34a_100000033821_100000211926 [0,2,0,0,0,0|1,0,1]=4 8140 B12R1.121 CNc1ccccc1OCCO 34a_100132302172_200000210301 [0,2,0,0,0,0|1,0,1]=4 8141 B12R1.121 CNc1ccccc1OCSC 34a_100000033821_100011218213 [0,2,0,0,0,0|1,0,1]=4 8142 B12R1.121 CNc1ccccc1SCC=O 62a_100020606079_200015260668 [0,2,0,0,0,0|1,1,0]=4 8143 B12R1.121 CNc1ccccc1SCC=O 62a_200015260668_100020606079 [0,2,0,0,0,0|1,1,0]=4 8144 B12R1.121 COCOc1ccccc1SC 62a_200000210301_200000230759 [0,2,0,0,0,0|1,0,1]=4 8145 B12R1.121 COCOc1ccccc1SC 62a_200000230759_200000210301 [0,2,0,0,0,0|1,0,1]=4 8146 B12R1.121 COCOc1ccccc1S[13CH3] 62a_200000230759_200025704644 [0,2,0,0,0,0|1,0,1]=4 8147 B12R1.121 COCOc1ccccc1S[13CH3] 62a_200025704644_200000230759 [0,2,0,0,0,0|1,0,1]=4 8148 B12R1.121 COc1ccccc1NCC=O 34a_100000210025_200009817547 [0,2,0,0,0,0|2,0,0]=4 8149 B12R1.121 COc1ccccc1OCC=O 34a_100000210385_200009817547 [0,2,0,0,0,0|1,0,0]=3 8150 B12R1.121 COc1ccccc1OCCF 34a_100000210385_100011217306 [0,2,0,0,0,0|1,0,1]=4 8151 B12R1.121 COc1ccccc1OCCO 34a_100000181789_200000210301 [0,2,0,0,0,0|1,0,1]=4 8152 B12R1.121 COc1ccccc1OCCO 34a_100000210385_100000211926 [0,2,0,0,0,0|1,0,1]=4 8153 B12R1.121 COc1ccccc1OCCO 7a_100000181789_200000210301 [0,2,0,0,0,0|1,0,1]=4 8154 B12R1.121 COc1ccccc1OCSC 34a_100000210385_100011218213 [0,2,0,0,0,0|1,0,1]=4 8155 B12R1.121 COc1ccccc1SCC=O 62a_100000210334_200015260668 [0,2,0,0,0,0|1,1,0]=4 8156 B12R1.121 COc1ccccc1SCC=O 62a_200015260668_100000210334 [0,2,0,0,0,0|1,1,0]=4 8157 B12R1.121 COc1cccnc1OCC=O 34a_100025773188_200009817547 [0,2,0,0,0,0|2,0,0]=4 8158 B12R1.121 COc1ccncc1OCC=O 34a_100000101186_200009817547 [0,2,0,0,0,0|2,0,0]=4 8159 B12R1.121 COc1ncccc1OCC=O 34a_100000698397_200009817547 [0,2,0,0,0,0|2,0,0]=4 8160 B12R1.121 COc1ncccc1OCC=O 7a_100000698397_200015260668 [0,2,0,0,0,0|2,0,0]=4 8161 B12R1.121 CSCOc1ccccc1C#N 34a_100000211048_100011218213 [0,2,0,0,0,0|1,0,1]=4 8162 B12R1.121 CSCOc1ccccc1CN 34a_100000185550_100011218213 [0,2,0,0,0,0|1,0,1]=4 8163 B12R1.121 CSCOc1ccccc1CO 34a_100011216872_100011218213 [0,2,0,0,0,0|1,0,1]=4 8164 B12R1.121 CSCOc1ccccc1SC 34a_100011216402_100011218213 [0,2,0,0,0,0|1,0,1]=4 8165 B12R1.121 CSc1ccccc1CCC=O 62a_100011713448_200000210301 [0,2,0,0,0,0|2,0,0]=4 8166 B12R1.121 CSc1ccccc1CCC=O 62a_200000210301_100011713448 [0,2,0,0,0,0|2,0,0]=4 8167 B12R1.121 CSc1ccccc1NCC=O 34a_100000211160_200009817547 [0,2,0,0,0,0|2,0,0]=4 8168 B12R1.121 CSc1ccccc1OCC#N 62a_200000173881_200000210301 [0,2,0,0,0,0|1,0,1]=4 8169 B12R1.121 CSc1ccccc1OCC#N 62a_200000210301_200000173881 [0,2,0,0,0,0|1,0,1]=4 8170 B12R1.121 CSc1ccccc1OCC=O 34a_100011216402_200009817547 [0,2,0,0,0,0|1,0,0]=3 8171 B12R1.121 CSc1ccccc1OCCF 34a_100011216402_100011217306 [0,2,0,0,0,0|1,0,1]=4 8172 B12R1.121 CSc1ccccc1OCCN 62a_100000744007_200000210301 [0,2,0,0,0,0|1,0,1]=4 8173 B12R1.121 CSc1ccccc1OCCN 62a_200000210301_100000744007 [0,2,0,0,0,0|1,0,1]=4 8174 B12R1.121 CSc1ccccc1OCCO 34a_100011216402_100000211926 [0,2,0,0,0,0|1,0,1]=4 8175 B12R1.121 CSc1ccccc1OCCO 62a_100000230753_200000210301 [0,2,0,0,0,0|1,0,1]=4 8176 B12R1.121 CSc1ccccc1OCCO 62a_200000210301_100000230753 [0,2,0,0,0,0|1,0,1]=4 8177 B12R1.121 CSc1ccccc1SCC=O 62a_100011217816_200015260668 [0,2,0,0,0,0|1,1,0]=4 8178 B12R1.121 CSc1ccccc1SCC=O 62a_200015260668_100011217816 [0,2,0,0,0,0|1,1,0]=4 8179 B12R1.121 N#CCOc1ccccc1C#N 7a_100000211048_100011215382 [0,2,0,0,0,0|1,0,1]=4 8180 B12R1.121 N#Cc1ccccc1NCC=O 34a_100000211148_200009817547 [0,2,0,0,0,0|2,0,0]=4 8181 B12R1.121 N#Cc1ccccc1OCC=O 34a_100000211048_200009817547 [0,2,0,0,0,0|1,0,0]=3 8182 B12R1.121 N#Cc1ccccc1OCC=O 7a_100000211048_200015260668 [0,2,0,0,0,0|1,0,0]=3 8183 B12R1.121 N#Cc1ccccc1OCCF 34a_100000211048_100011217306 [0,2,0,0,0,0|1,0,1]=4 8184 B12R1.121 N#Cc1ccccc1OCCF 7a_100000211048_100011217306 [0,2,0,0,0,0|1,0,1]=4 8185 B12R1.121 N#Cc1ccccc1OCCO 34a_100000211048_100000211926 [0,2,0,0,0,0|1,0,1]=4 8186 B12R1.121 N#Cc1ccccc1OCCO 7a_100000211048_100000211926 [0,2,0,0,0,0|1,0,1]=4 8187 B12R1.121 N#Cc1ccccc1SCC=O 62a_200015260668_100000188569 [0,2,0,0,0,0|1,1,0]=4 8188 B12R1.121 N#Cc1ccncc1OCC=O 7a_100012181322_200015260668 [0,2,0,0,0,0|2,0,0]=4 8189 B12R1.121 N#Cc1ncccc1OCC=O 34a_100000722750_200009817547 [0,2,0,0,0,0|2,0,0]=4 8190 B12R1.121 N#Cc1ncccc1OCC=O 7a_100000722750_200015260668 [0,2,0,0,0,0|2,0,0]=4 8191 B12R1.121 NCc1ccccc1OCC=O 34a_100000185550_200009817547 [0,2,0,0,0,0|1,0,0]=3 8192 B12R1.121 NCc1ccccc1OCCF 34a_100000185550_100011217306 [0,2,0,0,0,0|1,0,1]=4 8193 B12R1.121 NCc1ccccc1OCCO 34a_100000185550_100000211926 [0,2,0,0,0,0|1,0,1]=4 8194 B12R1.121 NCc1ccccc1SCC=O 62a_100000689332_200015260668 [0,2,0,0,0,0|1,1,0]=4 8195 B12R1.121 NCc1ccccc1SCC=O 62a_200015260668_100000689332 [0,2,0,0,0,0|1,1,0]=4 8196 B12R1.121 NNc1ccccc1SCC=O 62a_100000241748_200015260668 [0,2,0,0,0,0|1,1,0]=4 8197 B12R1.121 NNc1ccccc1SCC=O 62a_200015260668_100000241748 [0,2,0,0,0,0|1,1,0]=4 8198 B12R1.121 O=CCNc1ccccc1CO 34a_100000212039_200009817547 [0,2,0,0,0,0|2,0,0]=4 8199 B12R1.121 O=CCOc1ccccc1CO 34a_100011216872_200009817547 [0,2,0,0,0,0|1,0,0]=3 8200 B12R1.121 O=CCOc1cccnc1CBr 34a_200020655725_200009817547 [0,2,0,0,0,0|2,0,0]=4 8201 B12R1.121 O=CCOc1cccnc1CBr 7a_200020655725_200015260668 [0,2,0,0,0,0|2,0,0]=4 8202 B12R1.121 O=CCOc1cccnc1CO 34a_100000731849_200009817547 [0,2,0,0,0,0|2,0,0]=4 8203 B12R1.121 O=CCOc1cnccc1CO 34a_100000078615_200009817547 [0,2,0,0,0,0|2,0,0]=4 8204 B12R1.121 O=CCSc1ccccc1C=O 62a_100000210073_200015260668 [0,2,0,0,0,0|1,1,0]=4 8205 B12R1.121 O=CCSc1ccccc1C=O 62a_200015260668_100000210073 [0,2,0,0,0,0|1,1,0]=4 8206 B12R1.121 O=CCSc1ccccc1CO 62a_100000187465_200015260668 [0,2,0,0,0,0|1,1,0]=4 8207 B12R1.121 O=CCSc1ccccc1CO 62a_200015260668_100000187465 [0,2,0,0,0,0|1,1,0]=4 8208 B12R1.121 OCCOc1ccccc1CO 34a_100011216872_100000211926 [0,2,0,0,0,0|1,0,1]=4 8209 B12R1.121 OCc1ccccc1OCCF 34a_100011216872_100011217306 [0,2,0,0,0,0|1,0,1]=4 8210 B12R1.121 [13CH3]Nc1ccccc1OCCF 34a_100012000959_200025704644 [0,2,0,0,0,0|1,0,1]=4 8211 B12R1.121 [13CH3]Nc1ccccc1OCCO 34a_100132302172_200025704644 [0,2,0,0,0,0|1,0,1]=4 8212 B12R1.121 [13CH3]Oc1ccccc1OCCO 34a_100000181789_200025704644 [0,2,0,0,0,0|1,0,1]=4 8213 B12R1.121 [13CH3]Oc1ccccc1OCCO 7a_100000181789_200025704644 [0,2,0,0,0,0|1,0,1]=4 8214 B12R1.121 [13CH3]Sc1ccccc1CCC=O 62a_100011713448_200025704644 [0,2,0,0,0,0|2,0,0]=4 8215 B12R1.121 [13CH3]Sc1ccccc1CCC=O 62a_200025704644_100011713448 [0,2,0,0,0,0|2,0,0]=4 8216 B12R1.121 [13CH3]Sc1ccccc1OCC#N 62a_200000173881_200025704644 [0,2,0,0,0,0|1,0,1]=4 8217 B12R1.121 [13CH3]Sc1ccccc1OCC#N 62a_200025704644_200000173881 [0,2,0,0,0,0|1,0,1]=4 8218 B12R1.121 [13CH3]Sc1ccccc1OCCN 62a_100000744007_200025704644 [0,2,0,0,0,0|1,0,1]=4 8219 B12R1.121 [13CH3]Sc1ccccc1OCCN 62a_200025704644_100000744007 [0,2,0,0,0,0|1,0,1]=4 8220 B12R1.121 [13CH3]Sc1ccccc1OCCO 62a_100000230753_200025704644 [0,2,0,0,0,0|1,0,1]=4 8221 B12R1.121 [13CH3]Sc1ccccc1OCCO 62a_200025704644_100000230753 [0,2,0,0,0,0|1,0,1]=4 8222 B12R1.125 C=C(C)CNc1ccccc1Br 34a_100000210017_100000748629 [0,2,0,0,0,0|1,0,0]=3 8223 B12R1.125 C=C(C)CNc1ccccc1C 34a_100015192222_100000748629 [0,2,0,0,0,0|1,0,0]=3 8224 B12R1.125 C=C(C)CNc1ccccc1Cl 34a_100000185783_100000748629 [0,2,0,0,0,0|1,0,0]=3 8225 B12R1.125 C=C(C)CNc1ccccc1F 34a_100000210422_100000748629 [0,2,0,0,0,0|1,0,0]=3 8226 B12R1.125 C=C(C)CNc1ccccc1I 34a_100000210053_100000748629 [0,2,0,0,0,0|1,0,0]=3 8227 B12R1.125 C=C(C)CNc1ccccc1O 34a_100000185747_100000748629 [0,2,0,0,0,0|1,0,0]=3 8228 B12R1.125 C=C(C)CNc1ccncc1Br 27a_100000765925_100000726257 [0,2,0,0,0,0|2,0,0]=4 8229 B12R1.125 C=C(C)CNc1ccncc1C 27a_100000765925_100000765111 [0,2,0,0,0,0|2,0,0]=4 8230 B12R1.125 C=C(C)CNc1ccncc1F 27a_100000765925_100000035921 [0,2,0,0,0,0|2,0,0]=4 8231 B12R1.125 C=C(C)CNc1ncccc1Br 27a_100000765925_100000696092 [0,2,0,0,0,0|2,0,0]=4 8232 B12R1.125 C=C(C)COc1cccc[n+]1[O-] 7a_100000211761_100000748629 [0,2,0,0,0,0|1,0,0]=3 8233 B12R1.125 C=C(C)COc1ccccc1Br 34a_100000181306_100000748629 [0,2,0,0,0,0|0,0,0]=2 8234 B12R1.125 C=C(C)COc1ccccc1Br 7a_100000181306_100000748629 [0,2,0,0,0,0|0,0,0]=2 8235 B12R1.125 C=C(C)COc1ccccc1C 34a_100000210338_100000748629 [0,2,0,0,0,0|0,0,0]=2 8236 B12R1.125 C=C(C)COc1ccccc1C 7a_100000210338_100000748629 [0,2,0,0,0,0|0,0,0]=2 8237 B12R1.125 C=C(C)COc1ccccc1Cl 34a_100000210172_100000748629 [0,2,0,0,0,0|0,0,0]=2 8238 B12R1.125 C=C(C)COc1ccccc1Cl 7a_100000210172_100000748629 [0,2,0,0,0,0|0,0,0]=2 8239 B12R1.125 C=C(C)COc1ccccc1F 34a_100000210171_100000748629 [0,2,0,0,0,0|0,0,0]=2 8240 B12R1.125 C=C(C)COc1ccccc1F 7a_100000210171_100000748629 [0,2,0,0,0,0|0,0,0]=2 8241 B12R1.125 C=C(C)COc1ccccc1I 34a_100000739446_100000748629 [0,2,0,0,0,0|0,0,0]=2 8242 B12R1.125 C=C(C)COc1ccccc1I 7a_100000739446_100000748629 [0,2,0,0,0,0|0,0,0]=2 8243 B12R1.125 C=C(C)COc1ccccc1N 34a_100000185747_100000748629 [0,2,0,0,0,0|0,0,0]=2 8244 B12R1.125 C=C(C)COc1ccccc1N 7a_100000185747_100000748629 [0,2,0,0,0,0|0,0,0]=2 8245 B12R1.125 C=C(C)COc1cccnc1Br 34a_100000744436_100000748629 [0,2,0,0,0,0|1,0,0]=3 8246 B12R1.125 C=C(C)COc1cccnc1Br 7a_100000744436_100000748629 [0,2,0,0,0,0|1,0,0]=3 8247 B12R1.125 C=C(C)COc1cccnc1C 34a_100000745507_100000748629 [0,2,0,0,0,0|1,0,0]=3 8248 B12R1.125 C=C(C)COc1cccnc1C 7a_100000745507_100000748629 [0,2,0,0,0,0|1,0,0]=3 8249 B12R1.125 C=C(C)COc1cccnc1Cl 34a_100000757616_100000748629 [0,2,0,0,0,0|1,0,0]=3 8250 B12R1.125 C=C(C)COc1cccnc1Cl 7a_100000757616_100000748629 [0,2,0,0,0,0|1,0,0]=3 8251 B12R1.125 C=C(C)COc1cccnc1F 34a_100000061740_100000748629 [0,2,0,0,0,0|1,0,0]=3 8252 B12R1.125 C=C(C)COc1cccnc1F 7a_100000061740_100000748629 [0,2,0,0,0,0|1,0,0]=3 8253 B12R1.125 C=C(C)COc1cccnc1I 34a_100000034122_100000748629 [0,2,0,0,0,0|1,0,0]=3 8254 B12R1.125 C=C(C)COc1cccnc1I 7a_100000034122_100000748629 [0,2,0,0,0,0|1,0,0]=3 8255 B12R1.125 C=C(C)COc1cccnc1N 34a_100000211975_100000748629 [0,2,0,0,0,0|1,0,0]=3 8256 B12R1.125 C=C(C)COc1cccnc1N 7a_100000211975_100000748629 [0,2,0,0,0,0|1,0,0]=3 8257 B12R1.125 C=C(C)COc1cccoc1=O 34a_100000077404_100000748629 [0,2,0,0,0,0|1,0,0]=3 8258 B12R1.125 C=C(C)COc1cccoc1=O 7a_100000077404_100000748629 [0,2,0,0,0,0|1,0,0]=3 8259 B12R1.125 C=C(C)COc1ccncc1Br 34a_100011996408_100000748629 [0,2,0,0,0,0|1,0,0]=3 8260 B12R1.125 C=C(C)COc1ccncc1C 34a_100000694293_100000748629 [0,2,0,0,0,0|1,0,0]=3 8261 B12R1.125 C=C(C)COc1ccncc1Cl 34a_100011997054_100000748629 [0,2,0,0,0,0|1,0,0]=3 8262 B12R1.125 C=C(C)COc1ccncc1F 34a_200000081243_100000748629 [0,2,0,0,0,0|1,0,0]=3 8263 B12R1.125 C=C(C)COc1cnccc1C 34a_100011997053_100000748629 [0,2,0,0,0,0|1,0,0]=3 8264 B12R1.125 C=C(C)COc1cnccc1C 7a_100011997053_100000748629 [0,2,0,0,0,0|1,0,0]=3 8265 B12R1.125 C=C(C)COc1cnccc1Cl 34a_100011996695_100000748629 [0,2,0,0,0,0|1,0,0]=3 8266 B12R1.125 C=C(C)COc1cnccc1I 34a_100000050107_100000748629 [0,2,0,0,0,0|1,0,0]=3 8267 B12R1.125 C=C(C)COc1cnccc1N 34a_100000753702_100000748629 [0,2,0,0,0,0|1,0,0]=3 8268 B12R1.125 C=C(C)COc1cncnc1N 7a_100000112926_100000748629 [0,2,0,0,0,0|2,0,0]=4 8269 B12R1.125 C=C(C)COc1coccc1=O 34a_100000060831_100000748629 [0,2,0,0,0,0|1,0,0]=3 8270 B12R1.125 C=C(C)COc1ncccc1Cl 34a_100011290957_100000748629 [0,2,0,0,0,0|1,0,0]=3 8271 B12R1.125 C=C(C)COc1ncccc1F 34a_100011219419_100000748629 [0,2,0,0,0,0|1,0,0]=3 8272 B12R1.125 C=C(C)COc1ncccc1N 34a_100000746358_100000748629 [0,2,0,0,0,0|1,0,0]=3 8273 B12R1.125 C=C(C)COc1nccnc1C 34a_100000766352_100000748629 [0,2,0,0,0,0|2,0,0]=4 8274 B12R1.125 C=C(C)CSc1c[nH]ccc1=O 62a_100000748629_100009998708 [0,2,0,0,0,0|1,1,0]=4 8275 B12R1.125 C=C(C)CSc1c[nH]ccc1=O 62a_100009998708_100000211660 [0,2,0,0,0,0|1,1,0]=4 8276 B12R1.125 C=C(C)CSc1c[nH]ccc1=S 62a_100000748629_200012280681 [0,2,0,0,0,0|1,1,0]=4 8277 B12R1.125 C=C(C)CSc1c[nH]ccc1=S 62a_200012280681_100000211660 [0,2,0,0,0,0|1,1,0]=4 8278 B12R1.125 C=C(C)CSc1cccc[n+]1C 62a_100000748629_100000212160 [0,2,0,0,0,0|1,1,0]=4 8279 B12R1.125 C=C(C)CSc1cccc[n+]1[O-] 62a_100000748629_200000042595 [0,2,0,0,0,0|1,1,0]=4 8280 B12R1.125 C=C(C)CSc1ccccc1Br 62a_100000695589_100000211660 [0,2,0,0,0,0|0,1,0]=3 8281 B12R1.125 C=C(C)CSc1ccccc1Br 62a_100000748629_100000695589 [0,2,0,0,0,0|0,1,0]=3 8282 B12R1.125 C=C(C)CSc1ccccc1C 62a_100000210755_100000211660 [0,2,0,0,0,0|0,1,0]=3 8283 B12R1.125 C=C(C)CSc1ccccc1C 62a_100000748629_100000210755 [0,2,0,0,0,0|0,1,0]=3 8284 B12R1.125 C=C(C)CSc1ccccc1Cl 62a_100000748629_100000764095 [0,2,0,0,0,0|0,1,0]=3 8285 B12R1.125 C=C(C)CSc1ccccc1Cl 62a_100000764095_100000211660 [0,2,0,0,0,0|0,1,0]=3 8286 B12R1.125 C=C(C)CSc1ccccc1F 62a_100000748629_100011215700 [0,2,0,0,0,0|0,1,0]=3 8287 B12R1.125 C=C(C)CSc1ccccc1F 62a_100011215700_100000211660 [0,2,0,0,0,0|0,1,0]=3 8288 B12R1.125 C=C(C)CSc1ccccc1N 62a_100000210017_100000211660 [0,2,0,0,0,0|0,1,0]=3 8289 B12R1.125 C=C(C)CSc1ccccc1N 62a_100000748629_100000210017 [0,2,0,0,0,0|0,1,0]=3 8290 B12R1.125 C=C(C)CSc1ccccc1O 62a_100000739446_100000211660 [0,2,0,0,0,0|0,1,0]=3 8291 B12R1.125 C=C(C)CSc1ccccc1O 62a_100000748629_100000739446 [0,2,0,0,0,0|0,1,0]=3 8292 B12R1.125 C=C(C)CSc1cccnc1Br 62a_100000748629_100010202626 [0,2,0,0,0,0|1,1,0]=4 8293 B12R1.125 C=C(C)CSc1cccnc1Br 62a_100010202626_100000211660 [0,2,0,0,0,0|1,1,0]=4 8294 B12R1.125 C=C(C)CSc1cccnc1C 62a_100000748629_100000751574 [0,2,0,0,0,0|1,1,0]=4 8295 B12R1.125 C=C(C)CSc1cccnc1C 62a_100000751574_100000211660 [0,2,0,0,0,0|1,1,0]=4 8296 B12R1.125 C=C(C)CSc1cccnc1Cl 62a_100000036424_100000211660 [0,2,0,0,0,0|1,1,0]=4 8297 B12R1.125 C=C(C)CSc1cccnc1Cl 62a_100000748629_100000036424 [0,2,0,0,0,0|1,1,0]=4 8298 B12R1.125 C=C(C)CSc1cccnc1F 62a_100000748629_100009816115 [0,2,0,0,0,0|1,1,0]=4 8299 B12R1.125 C=C(C)CSc1cccnc1F 62a_100009816115_100000211660 [0,2,0,0,0,0|1,1,0]=4 8300 B12R1.125 C=C(C)CSc1cccnc1N 62a_100000045569_100000211660 [0,2,0,0,0,0|1,1,0]=4 8301 B12R1.125 C=C(C)CSc1cccnc1N 62a_100000748629_100000045569 [0,2,0,0,0,0|1,1,0]=4 8302 B12R1.125 C=C(C)CSc1cccnc1O 62a_100000748629_100000760158 [0,2,0,0,0,0|1,1,0]=4 8303 B12R1.125 C=C(C)CSc1cccnc1O 62a_100000760158_100000211660 [0,2,0,0,0,0|1,1,0]=4 8304 B12R1.125 C=C(C)CSc1ccncc1Br 62a_100000726257_100000211660 [0,2,0,0,0,0|1,1,0]=4 8305 B12R1.125 C=C(C)CSc1ccncc1Br 62a_100000748629_100000726257 [0,2,0,0,0,0|1,1,0]=4 8306 B12R1.125 C=C(C)CSc1ccncc1C 62a_100000748629_100000765111 [0,2,0,0,0,0|1,1,0]=4 8307 B12R1.125 C=C(C)CSc1ccncc1C 62a_100000765111_100000211660 [0,2,0,0,0,0|1,1,0]=4 8308 B12R1.125 C=C(C)CSc1ccncc1Cl 62a_100000708259_100000211660 [0,2,0,0,0,0|1,1,0]=4 8309 B12R1.125 C=C(C)CSc1ccncc1Cl 62a_100000748629_100000708259 [0,2,0,0,0,0|1,1,0]=4 8310 B12R1.125 C=C(C)CSc1ccncc1F 62a_100000047030_100000211660 [0,2,0,0,0,0|1,1,0]=4 8311 B12R1.125 C=C(C)CSc1ccncc1F 62a_100000748629_100000047030 [0,2,0,0,0,0|1,1,0]=4 8312 B12R1.125 C=C(C)CSc1ccncc1N 62a_100000748629_100000756074 [0,2,0,0,0,0|1,1,0]=4 8313 B12R1.125 C=C(C)CSc1ccncc1N 62a_100000756074_100000211660 [0,2,0,0,0,0|1,1,0]=4 8314 B12R1.125 C=C(C)CSc1ccncc1O 62a_100000748629_100009817591 [0,2,0,0,0,0|1,1,0]=4 8315 B12R1.125 C=C(C)CSc1ccncc1O 62a_100009817591_100000211660 [0,2,0,0,0,0|1,1,0]=4 8316 B12R1.125 C=C(C)CSc1cnccc1Br 62a_100000748629_100010138639 [0,2,0,0,0,0|1,1,0]=4 8317 B12R1.125 C=C(C)CSc1cnccc1Br 62a_100010138639_100000211660 [0,2,0,0,0,0|1,1,0]=4 8318 B12R1.125 C=C(C)CSc1cnccc1C 62a_100000748629_100000761580 [0,2,0,0,0,0|1,1,0]=4 8319 B12R1.125 C=C(C)CSc1cnccc1C 62a_100000761580_100000211660 [0,2,0,0,0,0|1,1,0]=4 8320 B12R1.125 C=C(C)CSc1cnccc1Cl 62a_100000748629_100009995489 [0,2,0,0,0,0|1,1,0]=4 8321 B12R1.125 C=C(C)CSc1cnccc1Cl 62a_100009995489_100000211660 [0,2,0,0,0,0|1,1,0]=4 8322 B12R1.125 C=C(C)CSc1cnccc1F 62a_100000748629_100009820683 [0,2,0,0,0,0|1,1,0]=4 8323 B12R1.125 C=C(C)CSc1cnccc1F 62a_100009820683_100000211660 [0,2,0,0,0,0|1,1,0]=4 8324 B12R1.125 C=C(C)CSc1cnccc1N 62a_100000047001_100000211660 [0,2,0,0,0,0|1,1,0]=4 8325 B12R1.125 C=C(C)CSc1cnccc1N 62a_100000748629_100000047001 [0,2,0,0,0,0|1,1,0]=4 8326 B12R1.125 C=C(C)CSc1ncccc1Br 62a_100000696092_100000211660 [0,2,0,0,0,0|1,1,0]=4 8327 B12R1.125 C=C(C)CSc1ncccc1Br 62a_100000748629_100000696092 [0,2,0,0,0,0|1,1,0]=4 8328 B12R1.125 C=C(C)CSc1ncccc1C 62a_100000748629_100000751373 [0,2,0,0,0,0|1,1,0]=4 8329 B12R1.125 C=C(C)CSc1ncccc1C 62a_100000751373_100000211660 [0,2,0,0,0,0|1,1,0]=4 8330 B12R1.125 C=C(C)CSc1ncccc1Cl 62a_100000748629_100011356963 [0,2,0,0,0,0|1,1,0]=4 8331 B12R1.125 C=C(C)CSc1ncccc1Cl 62a_100011356963_100000211660 [0,2,0,0,0,0|1,1,0]=4 8332 B12R1.125 C=C(C)CSc1ncccc1F 62a_100000685392_100000211660 [0,2,0,0,0,0|1,1,0]=4 8333 B12R1.125 C=C(C)CSc1ncccc1F 62a_100000748629_100000685392 [0,2,0,0,0,0|1,1,0]=4 8334 B12R1.125 C=C(C)CSc1ncccc1N 62a_100000688686_100000211660 [0,2,0,0,0,0|1,1,0]=4 8335 B12R1.125 C=C(C)CSc1ncccc1N 62a_100000748629_100000688686 [0,2,0,0,0,0|1,1,0]=4 8336 B12R1.125 C=C(C)CSc1ncccc1O 62a_100000034122_100000211660 [0,2,0,0,0,0|1,1,0]=4 8337 B12R1.125 C=C(C)CSc1ncccc1O 62a_100000748629_100000034122 [0,2,0,0,0,0|1,1,0]=4 8338 B12R1.125 C=C(F)CNc1ccccc1Br 34a_100000210017_100009893438 [0,2,0,0,0,0|1,0,0]=3 8339 B12R1.125 C=C(F)CNc1ccccc1C 34a_100015192222_100009893438 [0,2,0,0,0,0|1,0,0]=3 8340 B12R1.125 C=C(F)CNc1ccccc1Cl 34a_100000185783_100009893438 [0,2,0,0,0,0|1,0,0]=3 8341 B12R1.125 C=C(F)CNc1ccccc1F 34a_100000210422_100009893438 [0,2,0,0,0,0|1,0,0]=3 8342 B12R1.125 C=C(F)CNc1ccccc1I 34a_100000210053_100009893438 [0,2,0,0,0,0|1,0,0]=3 8343 B12R1.125 C=C(F)CNc1ccccc1O 34a_100000185747_100009893438 [0,2,0,0,0,0|1,0,0]=3 8344 B12R1.125 C=C(F)COc1cccc[n+]1[O-] 7a_100000211761_100000042424 [0,2,0,0,0,0|1,0,0]=3 8345 B12R1.125 C=C(F)COc1ccccc1Br 34a_100000181306_100009893438 [0,2,0,0,0,0|0,0,0]=2 8346 B12R1.125 C=C(F)COc1ccccc1Br 7a_100000181306_100000042424 [0,2,0,0,0,0|0,0,0]=2 8347 B12R1.125 C=C(F)COc1ccccc1C 34a_100000210338_100009893438 [0,2,0,0,0,0|0,0,0]=2 8348 B12R1.125 C=C(F)COc1ccccc1C 7a_100000210338_100000042424 [0,2,0,0,0,0|0,0,0]=2 8349 B12R1.125 C=C(F)COc1ccccc1Cl 34a_100000210172_100009893438 [0,2,0,0,0,0|0,0,0]=2 8350 B12R1.125 C=C(F)COc1ccccc1Cl 7a_100000210172_100000042424 [0,2,0,0,0,0|0,0,0]=2 8351 B12R1.125 C=C(F)COc1ccccc1F 34a_100000210171_100009893438 [0,2,0,0,0,0|0,0,0]=2 8352 B12R1.125 C=C(F)COc1ccccc1F 7a_100000210171_100000042424 [0,2,0,0,0,0|0,0,0]=2 8353 B12R1.125 C=C(F)COc1ccccc1I 34a_100000739446_100009893438 [0,2,0,0,0,0|0,0,0]=2 8354 B12R1.125 C=C(F)COc1ccccc1I 7a_100000739446_100000042424 [0,2,0,0,0,0|0,0,0]=2 8355 B12R1.125 C=C(F)COc1ccccc1N 34a_100000185747_100009893438 [0,2,0,0,0,0|0,0,0]=2 8356 B12R1.125 C=C(F)COc1ccccc1N 7a_100000185747_100000042424 [0,2,0,0,0,0|0,0,0]=2 8357 B12R1.125 C=C(F)COc1cccnc1Br 34a_100000744436_100009893438 [0,2,0,0,0,0|1,0,0]=3 8358 B12R1.125 C=C(F)COc1cccnc1Br 7a_100000744436_100000042424 [0,2,0,0,0,0|1,0,0]=3 8359 B12R1.125 C=C(F)COc1cccnc1C 34a_100000745507_100009893438 [0,2,0,0,0,0|1,0,0]=3 8360 B12R1.125 C=C(F)COc1cccnc1C 7a_100000745507_100000042424 [0,2,0,0,0,0|1,0,0]=3 8361 B12R1.125 C=C(F)COc1cccnc1Cl 34a_100000757616_100009893438 [0,2,0,0,0,0|1,0,0]=3 8362 B12R1.125 C=C(F)COc1cccnc1Cl 7a_100000757616_100000042424 [0,2,0,0,0,0|1,0,0]=3 8363 B12R1.125 C=C(F)COc1cccnc1F 34a_100000061740_100009893438 [0,2,0,0,0,0|1,0,0]=3 8364 B12R1.125 C=C(F)COc1cccnc1F 7a_100000061740_100000042424 [0,2,0,0,0,0|1,0,0]=3 8365 B12R1.125 C=C(F)COc1cccnc1I 34a_100000034122_100009893438 [0,2,0,0,0,0|1,0,0]=3 8366 B12R1.125 C=C(F)COc1cccnc1I 7a_100000034122_100000042424 [0,2,0,0,0,0|1,0,0]=3 8367 B12R1.125 C=C(F)COc1cccnc1N 34a_100000211975_100009893438 [0,2,0,0,0,0|1,0,0]=3 8368 B12R1.125 C=C(F)COc1cccnc1N 7a_100000211975_100000042424 [0,2,0,0,0,0|1,0,0]=3 8369 B12R1.125 C=C(F)COc1cccoc1=O 34a_100000077404_100009893438 [0,2,0,0,0,0|1,0,0]=3 8370 B12R1.125 C=C(F)COc1cccoc1=O 7a_100000077404_100000042424 [0,2,0,0,0,0|1,0,0]=3 8371 B12R1.125 C=C(F)COc1ccncc1Br 34a_100011996408_100009893438 [0,2,0,0,0,0|1,0,0]=3 8372 B12R1.125 C=C(F)COc1ccncc1C 34a_100000694293_100009893438 [0,2,0,0,0,0|1,0,0]=3 8373 B12R1.125 C=C(F)COc1ccncc1Cl 34a_100011997054_100009893438 [0,2,0,0,0,0|1,0,0]=3 8374 B12R1.125 C=C(F)COc1ccncc1F 34a_200000081243_100009893438 [0,2,0,0,0,0|1,0,0]=3 8375 B12R1.125 C=C(F)COc1cnccc1C 34a_100011997053_100009893438 [0,2,0,0,0,0|1,0,0]=3 8376 B12R1.125 C=C(F)COc1cnccc1C 7a_100011997053_100000042424 [0,2,0,0,0,0|1,0,0]=3 8377 B12R1.125 C=C(F)COc1cnccc1Cl 34a_100011996695_100009893438 [0,2,0,0,0,0|1,0,0]=3 8378 B12R1.125 C=C(F)COc1cnccc1I 34a_100000050107_100009893438 [0,2,0,0,0,0|1,0,0]=3 8379 B12R1.125 C=C(F)COc1cnccc1N 34a_100000753702_100009893438 [0,2,0,0,0,0|1,0,0]=3 8380 B12R1.125 C=C(F)COc1cncnc1N 7a_100000112926_100000042424 [0,2,0,0,0,0|2,0,0]=4 8381 B12R1.125 C=C(F)COc1coccc1=O 34a_100000060831_100009893438 [0,2,0,0,0,0|1,0,0]=3 8382 B12R1.125 C=C(F)COc1ncccc1Cl 34a_100011290957_100009893438 [0,2,0,0,0,0|1,0,0]=3 8383 B12R1.125 C=C(F)COc1ncccc1F 34a_100011219419_100009893438 [0,2,0,0,0,0|1,0,0]=3 8384 B12R1.125 C=C(F)COc1ncccc1N 34a_100000746358_100009893438 [0,2,0,0,0,0|1,0,0]=3 8385 B12R1.125 C=C(F)COc1nccnc1C 34a_100000766352_100009893438 [0,2,0,0,0,0|2,0,0]=4 8386 B12R1.125 C=C(F)CSc1c[nH]ccc1=O 62a_100000042424_100009998708 [0,2,0,0,0,0|1,1,0]=4 8387 B12R1.125 C=C(F)CSc1c[nH]ccc1=O 62a_100009998708_100000042424 [0,2,0,0,0,0|1,1,0]=4 8388 B12R1.125 C=C(F)CSc1c[nH]ccc1=S 62a_100000042424_200012280681 [0,2,0,0,0,0|1,1,0]=4 8389 B12R1.125 C=C(F)CSc1c[nH]ccc1=S 62a_200012280681_100000042424 [0,2,0,0,0,0|1,1,0]=4 8390 B12R1.125 C=C(F)CSc1cccc[n+]1C 62a_100000042424_100000212160 [0,2,0,0,0,0|1,1,0]=4 8391 B12R1.125 C=C(F)CSc1cccc[n+]1[O-] 62a_100000042424_200000042595 [0,2,0,0,0,0|1,1,0]=4 8392 B12R1.125 C=C(F)CSc1ccccc1Br 62a_100000042424_100000695589 [0,2,0,0,0,0|0,1,0]=3 8393 B12R1.125 C=C(F)CSc1ccccc1Br 62a_100000695589_100000042424 [0,2,0,0,0,0|0,1,0]=3 8394 B12R1.125 C=C(F)CSc1ccccc1C 62a_100000042424_100000210755 [0,2,0,0,0,0|0,1,0]=3 8395 B12R1.125 C=C(F)CSc1ccccc1C 62a_100000210755_100000042424 [0,2,0,0,0,0|0,1,0]=3 8396 B12R1.125 C=C(F)CSc1ccccc1Cl 62a_100000042424_100000764095 [0,2,0,0,0,0|0,1,0]=3 8397 B12R1.125 C=C(F)CSc1ccccc1Cl 62a_100000764095_100000042424 [0,2,0,0,0,0|0,1,0]=3 8398 B12R1.125 C=C(F)CSc1ccccc1F 62a_100000042424_100011215700 [0,2,0,0,0,0|0,1,0]=3 8399 B12R1.125 C=C(F)CSc1ccccc1F 62a_100011215700_100000042424 [0,2,0,0,0,0|0,1,0]=3 8400 B12R1.125 C=C(F)CSc1ccccc1N 62a_100000042424_100000210017 [0,2,0,0,0,0|0,1,0]=3 8401 B12R1.125 C=C(F)CSc1ccccc1N 62a_100000210017_100000042424 [0,2,0,0,0,0|0,1,0]=3 8402 B12R1.125 C=C(F)CSc1ccccc1O 62a_100000042424_100000739446 [0,2,0,0,0,0|0,1,0]=3 8403 B12R1.125 C=C(F)CSc1ccccc1O 62a_100000739446_100000042424 [0,2,0,0,0,0|0,1,0]=3 8404 B12R1.125 C=C(F)CSc1cccnc1Br 62a_100000042424_100010202626 [0,2,0,0,0,0|1,1,0]=4 8405 B12R1.125 C=C(F)CSc1cccnc1Br 62a_100010202626_100000042424 [0,2,0,0,0,0|1,1,0]=4 8406 B12R1.125 C=C(F)CSc1cccnc1C 62a_100000042424_100000751574 [0,2,0,0,0,0|1,1,0]=4 8407 B12R1.125 C=C(F)CSc1cccnc1C 62a_100000751574_100000042424 [0,2,0,0,0,0|1,1,0]=4 8408 B12R1.125 C=C(F)CSc1cccnc1Cl 62a_100000036424_100000042424 [0,2,0,0,0,0|1,1,0]=4 8409 B12R1.125 C=C(F)CSc1cccnc1Cl 62a_100000042424_100000036424 [0,2,0,0,0,0|1,1,0]=4 8410 B12R1.125 C=C(F)CSc1cccnc1F 62a_100000042424_100009816115 [0,2,0,0,0,0|1,1,0]=4 8411 B12R1.125 C=C(F)CSc1cccnc1F 62a_100009816115_100000042424 [0,2,0,0,0,0|1,1,0]=4 8412 B12R1.125 C=C(F)CSc1cccnc1N 62a_100000042424_100000045569 [0,2,0,0,0,0|1,1,0]=4 8413 B12R1.125 C=C(F)CSc1cccnc1N 62a_100000045569_100000042424 [0,2,0,0,0,0|1,1,0]=4 8414 B12R1.125 C=C(F)CSc1cccnc1O 62a_100000042424_100000760158 [0,2,0,0,0,0|1,1,0]=4 8415 B12R1.125 C=C(F)CSc1cccnc1O 62a_100000760158_100000042424 [0,2,0,0,0,0|1,1,0]=4 8416 B12R1.125 C=C(F)CSc1ccncc1Br 62a_100000042424_100000726257 [0,2,0,0,0,0|1,1,0]=4 8417 B12R1.125 C=C(F)CSc1ccncc1Br 62a_100000726257_100000042424 [0,2,0,0,0,0|1,1,0]=4 8418 B12R1.125 C=C(F)CSc1ccncc1C 62a_100000042424_100000765111 [0,2,0,0,0,0|1,1,0]=4 8419 B12R1.125 C=C(F)CSc1ccncc1C 62a_100000765111_100000042424 [0,2,0,0,0,0|1,1,0]=4 8420 B12R1.125 C=C(F)CSc1ccncc1Cl 62a_100000042424_100000708259 [0,2,0,0,0,0|1,1,0]=4 8421 B12R1.125 C=C(F)CSc1ccncc1Cl 62a_100000708259_100000042424 [0,2,0,0,0,0|1,1,0]=4 8422 B12R1.125 C=C(F)CSc1ccncc1F 62a_100000042424_100000047030 [0,2,0,0,0,0|1,1,0]=4 8423 B12R1.125 C=C(F)CSc1ccncc1F 62a_100000047030_100000042424 [0,2,0,0,0,0|1,1,0]=4 8424 B12R1.125 C=C(F)CSc1ccncc1N 62a_100000042424_100000756074 [0,2,0,0,0,0|1,1,0]=4 8425 B12R1.125 C=C(F)CSc1ccncc1N 62a_100000756074_100000042424 [0,2,0,0,0,0|1,1,0]=4 8426 B12R1.125 C=C(F)CSc1ccncc1O 62a_100000042424_100009817591 [0,2,0,0,0,0|1,1,0]=4 8427 B12R1.125 C=C(F)CSc1ccncc1O 62a_100009817591_100000042424 [0,2,0,0,0,0|1,1,0]=4 8428 B12R1.125 C=C(F)CSc1cnccc1Br 62a_100000042424_100010138639 [0,2,0,0,0,0|1,1,0]=4 8429 B12R1.125 C=C(F)CSc1cnccc1Br 62a_100010138639_100000042424 [0,2,0,0,0,0|1,1,0]=4 8430 B12R1.125 C=C(F)CSc1cnccc1C 62a_100000042424_100000761580 [0,2,0,0,0,0|1,1,0]=4 8431 B12R1.125 C=C(F)CSc1cnccc1C 62a_100000761580_100000042424 [0,2,0,0,0,0|1,1,0]=4 8432 B12R1.125 C=C(F)CSc1cnccc1Cl 62a_100000042424_100009995489 [0,2,0,0,0,0|1,1,0]=4 8433 B12R1.125 C=C(F)CSc1cnccc1Cl 62a_100009995489_100000042424 [0,2,0,0,0,0|1,1,0]=4 8434 B12R1.125 C=C(F)CSc1cnccc1F 62a_100000042424_100009820683 [0,2,0,0,0,0|1,1,0]=4 8435 B12R1.125 C=C(F)CSc1cnccc1F 62a_100009820683_100000042424 [0,2,0,0,0,0|1,1,0]=4 8436 B12R1.125 C=C(F)CSc1cnccc1N 62a_100000042424_100000047001 [0,2,0,0,0,0|1,1,0]=4 8437 B12R1.125 C=C(F)CSc1cnccc1N 62a_100000047001_100000042424 [0,2,0,0,0,0|1,1,0]=4 8438 B12R1.125 C=C(F)CSc1ncccc1Br 62a_100000042424_100000696092 [0,2,0,0,0,0|1,1,0]=4 8439 B12R1.125 C=C(F)CSc1ncccc1Br 62a_100000696092_100000042424 [0,2,0,0,0,0|1,1,0]=4 8440 B12R1.125 C=C(F)CSc1ncccc1C 62a_100000042424_100000751373 [0,2,0,0,0,0|1,1,0]=4 8441 B12R1.125 C=C(F)CSc1ncccc1C 62a_100000751373_100000042424 [0,2,0,0,0,0|1,1,0]=4 8442 B12R1.125 C=C(F)CSc1ncccc1Cl 62a_100000042424_100011356963 [0,2,0,0,0,0|1,1,0]=4 8443 B12R1.125 C=C(F)CSc1ncccc1Cl 62a_100011356963_100000042424 [0,2,0,0,0,0|1,1,0]=4 8444 B12R1.125 C=C(F)CSc1ncccc1F 62a_100000042424_100000685392 [0,2,0,0,0,0|1,1,0]=4 8445 B12R1.125 C=C(F)CSc1ncccc1F 62a_100000685392_100000042424 [0,2,0,0,0,0|1,1,0]=4 8446 B12R1.125 C=C(F)CSc1ncccc1N 62a_100000042424_100000688686 [0,2,0,0,0,0|1,1,0]=4 8447 B12R1.125 C=C(F)CSc1ncccc1N 62a_100000688686_100000042424 [0,2,0,0,0,0|1,1,0]=4 8448 B12R1.125 C=C(F)CSc1ncccc1O 62a_100000034122_100000042424 [0,2,0,0,0,0|1,1,0]=4 8449 B12R1.125 C=C(F)CSc1ncccc1O 62a_100000042424_100000034122 [0,2,0,0,0,0|1,1,0]=4 8450 B12R1.125 CC(=O)CCc1ccccc1Br 1458a_100000070787_100012161201 [0,2,0,0,0,0|1,0,1]=4 8451 B12R1.125 CC(=O)CCc1ccccc1Br 1458a_100000740810_200000210301 [0,2,0,0,0,0|1,0,1]=4 8452 B12R1.125 CC(=O)CCc1ccccc1C 1458a_100000070787_100011713688 [0,2,0,0,0,0|1,0,1]=4 8453 B12R1.125 CC(=O)CCc1ccccc1C 1458a_100000748742_200000210301 [0,2,0,0,0,0|1,0,1]=4 8454 B12R1.125 CC(=O)CCc1ccccc1Cl 1458a_100000070787_100011713703 [0,2,0,0,0,0|1,0,1]=4 8455 B12R1.125 CC(=O)CCc1ccccc1Cl 1458a_100000184300_200000210301 [0,2,0,0,0,0|1,0,1]=4 8456 B12R1.125 CC(=O)CCc1ccccc1F 1458a_100000070787_100000720011 [0,2,0,0,0,0|1,0,1]=4 8457 B12R1.125 CC(=O)CCc1ccccc1F 1458a_100000189703_200000210301 [0,2,0,0,0,0|1,0,1]=4 8458 B12R1.125 CC(=O)CCc1ccccc1I 1458a_100000037306_200000210301 [0,2,0,0,0,0|1,0,1]=4 8459 B12R1.125 CC(=O)CCc1ccccc1O 1458a_100000070787_100000722297 [0,2,0,0,0,0|1,0,1]=4 8460 B12R1.125 CC(=O)CCc1ccccc1O 1458a_100000181328_200000210301 [0,2,0,0,0,0|1,0,1]=4 8461 B12R1.125 CC(=O)COc1ccccc1Br 1458a_100000216496_200000210301 [0,2,0,0,0,0|0,0,1]=3 8462 B12R1.125 CC(=O)COc1ccccc1C 1458a_100000182418_200000210301 [0,2,0,0,0,0|0,0,1]=3 8463 B12R1.125 CC(=O)COc1ccccc1Cl 1458a_100000185159_200000210301 [0,2,0,0,0,0|0,0,1]=3 8464 B12R1.125 CC(=O)COc1ccccc1F 1458a_100000182486_200000210301 [0,2,0,0,0,0|0,0,1]=3 8465 B12R1.125 CC(=O)COc1ccccc1O 1458a_100000183020_200000210301 [0,2,0,0,0,0|0,0,1]=3 8466 B12R1.125 CC(=O)CSc1ccccc1C 1458a_100000183026_200000210301 [0,2,0,0,0,0|0,1,1]=4 8467 B12R1.125 CC(=O)CSc1ccccc1F 1458a_100000179528_200000210301 [0,2,0,0,0,0|0,1,1]=4 8468 B12R1.125 CC(=O)CSc1ccccc1O 1458a_100000695322_200000210301 [0,2,0,0,0,0|0,1,1]=4 8469 B12R1.125 CC(C)COc1ccccc1Br 34a_100000181306_100000210624 [0,2,0,0,0,0|0,0,2]=4 8470 B12R1.125 CC(C)COc1ccccc1Br 7a_100000181306_100000210760 [0,2,0,0,0,0|0,0,2]=4 8471 B12R1.125 CC(C)COc1ccccc1Cl 34a_100000210172_100000210624 [0,2,0,0,0,0|0,0,2]=4 8472 B12R1.125 CC(C)COc1ccccc1Cl 7a_100000210172_100000210760 [0,2,0,0,0,0|0,0,2]=4 8473 B12R1.125 CC(C)COc1ccccc1F 34a_100000210171_100000210624 [0,2,0,0,0,0|0,0,2]=4 8474 B12R1.125 CC(C)COc1ccccc1F 7a_100000210171_100000210760 [0,2,0,0,0,0|0,0,2]=4 8475 B12R1.125 CC(C)COc1ccccc1I 34a_100000739446_100000210624 [0,2,0,0,0,0|0,0,2]=4 8476 B12R1.125 CC(C)COc1ccccc1I 7a_100000739446_100000210760 [0,2,0,0,0,0|0,0,2]=4 8477 B12R1.125 CC(C)COc1ccccc1N 34a_100000185747_100000210624 [0,2,0,0,0,0|0,0,2]=4 8478 B12R1.125 CC(C)COc1ccccc1N 7a_100000185747_100000210760 [0,2,0,0,0,0|0,0,2]=4 8479 B12R1.125 CC(O)COc1ccccc1Br 34a_100000181306_100011218427 [0,2,0,0,0,0|0,0,2]=4 8480 B12R1.125 CC(O)COc1ccccc1Br 7a_100000181306_100011218427 [0,2,0,0,0,0|0,0,2]=4 8481 B12R1.125 CC(O)COc1ccccc1Cl 34a_100000210172_100011218427 [0,2,0,0,0,0|0,0,2]=4 8482 B12R1.125 CC(O)COc1ccccc1Cl 7a_100000210172_100011218427 [0,2,0,0,0,0|0,0,2]=4 8483 B12R1.125 CC(O)COc1ccccc1F 34a_100000210171_100011218427 [0,2,0,0,0,0|0,0,2]=4 8484 B12R1.125 CC(O)COc1ccccc1F 7a_100000210171_100011218427 [0,2,0,0,0,0|0,0,2]=4 8485 B12R1.125 CC(O)COc1ccccc1I 34a_100000739446_100011218427 [0,2,0,0,0,0|0,0,2]=4 8486 B12R1.125 CC(O)COc1ccccc1I 7a_100000739446_100011218427 [0,2,0,0,0,0|0,0,2]=4 8487 B12R1.125 CC(O)COc1ccccc1N 34a_100000185747_100011218427 [0,2,0,0,0,0|0,0,2]=4 8488 B12R1.125 CC(O)COc1ccccc1N 7a_100000185747_100011218427 [0,2,0,0,0,0|0,0,2]=4 8489 B12R1.125 C[C@@H](O)COc1ccccc1Br 34a_100000181306_100009817552 [0,2,0,0,0,0|0,0,2]=4 8490 B12R1.125 C[C@@H](O)COc1ccccc1Br 7a_100000181306_100009817552 [0,2,0,0,0,0|0,0,2]=4 8491 B12R1.125 C[C@@H](O)COc1ccccc1Cl 34a_100000210172_100009817552 [0,2,0,0,0,0|0,0,2]=4 8492 B12R1.125 C[C@@H](O)COc1ccccc1Cl 7a_100000210172_100009817552 [0,2,0,0,0,0|0,0,2]=4 8493 B12R1.125 C[C@@H](O)COc1ccccc1F 34a_100000210171_100009817552 [0,2,0,0,0,0|0,0,2]=4 8494 B12R1.125 C[C@@H](O)COc1ccccc1F 7a_100000210171_100009817552 [0,2,0,0,0,0|0,0,2]=4 8495 B12R1.125 C[C@@H](O)COc1ccccc1I 34a_100000739446_100009817552 [0,2,0,0,0,0|0,0,2]=4 8496 B12R1.125 C[C@@H](O)COc1ccccc1I 7a_100000739446_100009817552 [0,2,0,0,0,0|0,0,2]=4 8497 B12R1.125 C[C@@H](O)COc1ccccc1N 34a_100000185747_100009817552 [0,2,0,0,0,0|0,0,2]=4 8498 B12R1.125 C[C@@H](O)COc1ccccc1N 7a_100000185747_100009817552 [0,2,0,0,0,0|0,0,2]=4 8499 B12R1.125 Cc1ccccc1CCC(=O)[13CH3] 1458a_100000748742_200025704644 [0,2,0,0,0,0|1,0,1]=4 8500 B12R1.125 Cc1ccccc1NCC(=O)N 34a_100015192222_100000187820 [0,2,0,0,0,0|2,0,0]=4 8501 B12R1.125 Cc1ccccc1NCC(=O)[O-] 34a_100015192222_100020667443 [0,2,0,0,0,0|2,0,0]=4 8502 B12R1.125 Cc1ccccc1OCC(=O)N 34a_100000210338_100000187820 [0,2,0,0,0,0|1,0,0]=3 8503 B12R1.125 Cc1ccccc1OCC(=O)N 7a_100000210338_100000187820 [0,2,0,0,0,0|1,0,0]=3 8504 B12R1.125 Cc1ccccc1OCC(=O)[13CH3] 1458a_100000182418_200025704644 [0,2,0,0,0,0|0,0,1]=3 8505 B12R1.125 Cc1ccccc1OCC(=O)[O-] 34a_100000210338_100020667443 [0,2,0,0,0,0|1,0,0]=3 8506 B12R1.125 Cc1ccccc1OCC(C)C 34a_100000210338_100000210624 [0,2,0,0,0,0|0,0,2]=4 8507 B12R1.125 Cc1ccccc1OCC(C)C 7a_100000210338_100000210760 [0,2,0,0,0,0|0,0,2]=4 8508 B12R1.125 Cc1ccccc1OCC(C)O 34a_100000210338_100011218427 [0,2,0,0,0,0|0,0,2]=4 8509 B12R1.125 Cc1ccccc1OCC(C)O 7a_100000210338_100011218427 [0,2,0,0,0,0|0,0,2]=4 8510 B12R1.125 Cc1ccccc1OCC(F)F 34a_100000210338_100011934356 [0,2,0,0,0,0|1,0,1]=4 8511 B12R1.125 Cc1ccccc1OCC(F)F 7a_100000210338_100011934356 [0,2,0,0,0,0|1,0,1]=4 8512 B12R1.125 Cc1ccccc1OC[C@@H](C)O 34a_100000210338_100009817552 [0,2,0,0,0,0|0,0,2]=4 8513 B12R1.125 Cc1ccccc1OC[C@@H](C)O 7a_100000210338_100009817552 [0,2,0,0,0,0|0,0,2]=4 8514 B12R1.125 Cc1ccccc1OC[N+](=O)[O-] 34a_100000210338_100000761209 [0,2,0,0,0,0|2,0,0]=4 8515 B12R1.125 Cc1ccccc1SCC(=O)N 62a_100000210755_100000747473 [0,2,0,0,0,0|1,1,0]=4 8516 B12R1.125 Cc1ccccc1SCC(=O)N 62a_100000747473_100000210755 [0,2,0,0,0,0|1,1,0]=4 8517 B12R1.125 Cc1ccccc1SCC(=O)[13CH3] 1458a_100000183026_200025704644 [0,2,0,0,0,0|0,1,1]=4 8518 B12R1.125 Cc1ccccc1SCC(=O)[O-] 62a_100000210755_100020667443 [0,2,0,0,0,0|1,1,0]=4 8519 B12R1.125 Cc1ccccc1SCC(=O)[O-] 62a_100020667443_100000210755 [0,2,0,0,0,0|1,1,0]=4 8520 B12R1.125 Cc1ccncc1OCC(=O)N 34a_100011997053_100000187820 [0,2,0,0,0,0|2,0,0]=4 8521 B12R1.125 Cc1ccncc1OCC(=O)N 7a_100011997053_100000187820 [0,2,0,0,0,0|2,0,0]=4 8522 B12R1.125 Cc1ccncc1OCC(=O)[O-] 34a_100011997053_100020667443 [0,2,0,0,0,0|2,0,0]=4 8523 B12R1.125 Cc1cnccc1OCC(=O)N 34a_100000694293_100000187820 [0,2,0,0,0,0|2,0,0]=4 8524 B12R1.125 Cc1cnccc1OCC(=O)[O-] 34a_100000694293_100020667443 [0,2,0,0,0,0|2,0,0]=4 8525 B12R1.125 Cc1ncccc1OCC(=O)N 34a_100000745507_100000187820 [0,2,0,0,0,0|2,0,0]=4 8526 B12R1.125 Cc1ncccc1OCC(=O)N 7a_100000745507_100000187820 [0,2,0,0,0,0|2,0,0]=4 8527 B12R1.125 Cc1ncccc1OCC(=O)[O-] 34a_100000745507_100020667443 [0,2,0,0,0,0|2,0,0]=4 8528 B12R1.125 FC(F)COc1ccccc1Br 34a_100000181306_100011934356 [0,2,0,0,0,0|1,0,1]=4 8529 B12R1.125 FC(F)COc1ccccc1Br 7a_100000181306_100011934356 [0,2,0,0,0,0|1,0,1]=4 8530 B12R1.125 FC(F)COc1ccccc1Cl 34a_100000210172_100011934356 [0,2,0,0,0,0|1,0,1]=4 8531 B12R1.125 FC(F)COc1ccccc1Cl 7a_100000210172_100011934356 [0,2,0,0,0,0|1,0,1]=4 8532 B12R1.125 FC(F)COc1ccccc1I 34a_100000739446_100011934356 [0,2,0,0,0,0|1,0,1]=4 8533 B12R1.125 FC(F)COc1ccccc1I 7a_100000739446_100011934356 [0,2,0,0,0,0|1,0,1]=4 8534 B12R1.125 Fc1ccccc1OCC(F)F 34a_100000210171_100011934356 [0,2,0,0,0,0|1,0,1]=4 8535 B12R1.125 Fc1ccccc1OCC(F)F 7a_100000210171_100011934356 [0,2,0,0,0,0|1,0,1]=4 8536 B12R1.125 NC(=O)CCc1ccccc1O 271570a_203496583355_100009814947 [0,2,0,0,0,0|2,0,0]=4 8537 B12R1.125 NC(=O)CNc1ccccc1Br 34a_100000210017_100000187820 [0,2,0,0,0,0|2,0,0]=4 8538 B12R1.125 NC(=O)CNc1ccccc1Cl 34a_100000185783_100000187820 [0,2,0,0,0,0|2,0,0]=4 8539 B12R1.125 NC(=O)CNc1ccccc1F 34a_100000210422_100000187820 [0,2,0,0,0,0|2,0,0]=4 8540 B12R1.125 NC(=O)CNc1ccccc1I 34a_100000210053_100000187820 [0,2,0,0,0,0|2,0,0]=4 8541 B12R1.125 NC(=O)CNc1ccccc1O 34a_100000185747_100000187820 [0,2,0,0,0,0|2,0,0]=4 8542 B12R1.125 NC(=O)COc1cccc[n+]1[O-] 7a_100000211761_100000187820 [0,2,0,0,0,0|2,0,0]=4 8543 B12R1.125 NC(=O)COc1ccccc1Br 34a_100000181306_100000187820 [0,2,0,0,0,0|1,0,0]=3 8544 B12R1.125 NC(=O)COc1ccccc1Br 7a_100000181306_100000187820 [0,2,0,0,0,0|1,0,0]=3 8545 B12R1.125 NC(=O)COc1ccccc1Cl 34a_100000210172_100000187820 [0,2,0,0,0,0|1,0,0]=3 8546 B12R1.125 NC(=O)COc1ccccc1Cl 7a_100000210172_100000187820 [0,2,0,0,0,0|1,0,0]=3 8547 B12R1.125 NC(=O)COc1ccccc1F 34a_100000210171_100000187820 [0,2,0,0,0,0|1,0,0]=3 8548 B12R1.125 NC(=O)COc1ccccc1F 7a_100000210171_100000187820 [0,2,0,0,0,0|1,0,0]=3 8549 B12R1.125 NC(=O)COc1ccccc1I 34a_100000739446_100000187820 [0,2,0,0,0,0|1,0,0]=3 8550 B12R1.125 NC(=O)COc1ccccc1I 7a_100000739446_100000187820 [0,2,0,0,0,0|1,0,0]=3 8551 B12R1.125 NC(=O)COc1ccccc1N 34a_100000185747_100000187820 [0,2,0,0,0,0|1,0,0]=3 8552 B12R1.125 NC(=O)COc1ccccc1N 7a_100000185747_100000187820 [0,2,0,0,0,0|1,0,0]=3 8553 B12R1.125 NC(=O)COc1ccccc1O 271570a_203496583355_200000148491 [0,2,0,0,0,0|1,0,0]=3 8554 B12R1.125 NC(=O)COc1cccnc1Br 34a_100000744436_100000187820 [0,2,0,0,0,0|2,0,0]=4 8555 B12R1.125 NC(=O)COc1cccnc1Br 7a_100000744436_100000187820 [0,2,0,0,0,0|2,0,0]=4 8556 B12R1.125 NC(=O)COc1cccnc1Cl 34a_100000757616_100000187820 [0,2,0,0,0,0|2,0,0]=4 8557 B12R1.125 NC(=O)COc1cccnc1Cl 7a_100000757616_100000187820 [0,2,0,0,0,0|2,0,0]=4 8558 B12R1.125 NC(=O)COc1cccnc1F 34a_100000061740_100000187820 [0,2,0,0,0,0|2,0,0]=4 8559 B12R1.125 NC(=O)COc1cccnc1F 7a_100000061740_100000187820 [0,2,0,0,0,0|2,0,0]=4 8560 B12R1.125 NC(=O)COc1cccnc1I 34a_100000034122_100000187820 [0,2,0,0,0,0|2,0,0]=4 8561 B12R1.125 NC(=O)COc1cccnc1I 7a_100000034122_100000187820 [0,2,0,0,0,0|2,0,0]=4 8562 B12R1.125 NC(=O)COc1cccnc1N 34a_100000211975_100000187820 [0,2,0,0,0,0|2,0,0]=4 8563 B12R1.125 NC(=O)COc1cccnc1N 7a_100000211975_100000187820 [0,2,0,0,0,0|2,0,0]=4 8564 B12R1.125 NC(=O)COc1cccoc1=O 34a_100000077404_100000187820 [0,2,0,0,0,0|2,0,0]=4 8565 B12R1.125 NC(=O)COc1cccoc1=O 7a_100000077404_100000187820 [0,2,0,0,0,0|2,0,0]=4 8566 B12R1.125 NC(=O)COc1ccncc1Br 34a_100011996408_100000187820 [0,2,0,0,0,0|2,0,0]=4 8567 B12R1.125 NC(=O)COc1ccncc1Cl 34a_100011997054_100000187820 [0,2,0,0,0,0|2,0,0]=4 8568 B12R1.125 NC(=O)COc1ccncc1F 34a_200000081243_100000187820 [0,2,0,0,0,0|2,0,0]=4 8569 B12R1.125 NC(=O)COc1cnccc1Cl 34a_100011996695_100000187820 [0,2,0,0,0,0|2,0,0]=4 8570 B12R1.125 NC(=O)COc1cnccc1I 34a_100000050107_100000187820 [0,2,0,0,0,0|2,0,0]=4 8571 B12R1.125 NC(=O)COc1cnccc1N 34a_100000753702_100000187820 [0,2,0,0,0,0|2,0,0]=4 8572 B12R1.125 NC(=O)COc1coccc1=O 34a_100000060831_100000187820 [0,2,0,0,0,0|2,0,0]=4 8573 B12R1.125 NC(=O)COc1ncccc1Cl 34a_100011290957_100000187820 [0,2,0,0,0,0|2,0,0]=4 8574 B12R1.125 NC(=O)COc1ncccc1F 34a_100011219419_100000187820 [0,2,0,0,0,0|2,0,0]=4 8575 B12R1.125 NC(=O)COc1ncccc1N 34a_100000746358_100000187820 [0,2,0,0,0,0|2,0,0]=4 8576 B12R1.125 NC(=O)CSc1ccccc1Br 62a_100000695589_100000747473 [0,2,0,0,0,0|1,1,0]=4 8577 B12R1.125 NC(=O)CSc1ccccc1Br 62a_100000747473_100000695589 [0,2,0,0,0,0|1,1,0]=4 8578 B12R1.125 NC(=O)CSc1ccccc1Cl 62a_100000747473_100000764095 [0,2,0,0,0,0|1,1,0]=4 8579 B12R1.125 NC(=O)CSc1ccccc1Cl 62a_100000764095_100000747473 [0,2,0,0,0,0|1,1,0]=4 8580 B12R1.125 NC(=O)CSc1ccccc1F 62a_100000747473_100011215700 [0,2,0,0,0,0|1,1,0]=4 8581 B12R1.125 NC(=O)CSc1ccccc1F 62a_100011215700_100000747473 [0,2,0,0,0,0|1,1,0]=4 8582 B12R1.125 NC(=O)CSc1ccccc1N 62a_100000210017_100000747473 [0,2,0,0,0,0|1,1,0]=4 8583 B12R1.125 NC(=O)CSc1ccccc1N 62a_100000747473_100000210017 [0,2,0,0,0,0|1,1,0]=4 8584 B12R1.125 NC(=O)CSc1ccccc1O 62a_100000739446_100000747473 [0,2,0,0,0,0|1,1,0]=4 8585 B12R1.125 NC(=O)CSc1ccccc1O 62a_100000747473_100000739446 [0,2,0,0,0,0|1,1,0]=4 8586 B12R1.125 Nc1ccccc1OCC(=O)[O-] 34a_100000185747_100020667443 [0,2,0,0,0,0|1,0,0]=3 8587 B12R1.125 Nc1ccccc1OCC(F)F 34a_100000185747_100011934356 [0,2,0,0,0,0|1,0,1]=4 8588 B12R1.125 Nc1ccccc1OCC(F)F 7a_100000185747_100011934356 [0,2,0,0,0,0|1,0,1]=4 8589 B12R1.125 Nc1ccccc1OC[N+](=O)[O-] 34a_100000185747_100000761209 [0,2,0,0,0,0|2,0,0]=4 8590 B12R1.125 Nc1ccccc1SCC(=O)[O-] 62a_100000210017_100020667443 [0,2,0,0,0,0|1,1,0]=4 8591 B12R1.125 Nc1ccccc1SCC(=O)[O-] 62a_100020667443_100000210017 [0,2,0,0,0,0|1,1,0]=4 8592 B12R1.125 Nc1cccnc1OCC(=O)[O-] 34a_100000746358_100020667443 [0,2,0,0,0,0|2,0,0]=4 8593 B12R1.125 Nc1ccncc1OCC(=O)[O-] 34a_100000753702_100020667443 [0,2,0,0,0,0|2,0,0]=4 8594 B12R1.125 Nc1ncccc1OCC(=O)[O-] 34a_100000211975_100020667443 [0,2,0,0,0,0|2,0,0]=4 8595 B12R1.125 O=C([O-])CNc1ccccc1Br 34a_100000210017_100020667443 [0,2,0,0,0,0|2,0,0]=4 8596 B12R1.125 O=C([O-])CNc1ccccc1Cl 34a_100000185783_100020667443 [0,2,0,0,0,0|2,0,0]=4 8597 B12R1.125 O=C([O-])CNc1ccccc1F 34a_100000210422_100020667443 [0,2,0,0,0,0|2,0,0]=4 8598 B12R1.125 O=C([O-])CNc1ccccc1I 34a_100000210053_100020667443 [0,2,0,0,0,0|2,0,0]=4 8599 B12R1.125 O=C([O-])CNc1ccccc1O 34a_100000185747_100020667443 [0,2,0,0,0,0|2,0,0]=4 8600 B12R1.125 O=C([O-])COc1ccccc1Br 34a_100000181306_100020667443 [0,2,0,0,0,0|1,0,0]=3 8601 B12R1.125 O=C([O-])COc1ccccc1Cl 34a_100000210172_100020667443 [0,2,0,0,0,0|1,0,0]=3 8602 B12R1.125 O=C([O-])COc1ccccc1F 34a_100000210171_100020667443 [0,2,0,0,0,0|1,0,0]=3 8603 B12R1.125 O=C([O-])COc1ccccc1I 34a_100000739446_100020667443 [0,2,0,0,0,0|1,0,0]=3 8604 B12R1.125 O=C([O-])COc1cccnc1Br 34a_100000744436_100020667443 [0,2,0,0,0,0|2,0,0]=4 8605 B12R1.125 O=C([O-])COc1cccnc1Cl 34a_100000757616_100020667443 [0,2,0,0,0,0|2,0,0]=4 8606 B12R1.125 O=C([O-])COc1cccnc1F 34a_100000061740_100020667443 [0,2,0,0,0,0|2,0,0]=4 8607 B12R1.125 O=C([O-])COc1cccnc1I 34a_100000034122_100020667443 [0,2,0,0,0,0|2,0,0]=4 8608 B12R1.125 O=C([O-])COc1cccoc1=O 34a_100000077404_100020667443 [0,2,0,0,0,0|2,0,0]=4 8609 B12R1.125 O=C([O-])COc1ccncc1Br 34a_100011996408_100020667443 [0,2,0,0,0,0|2,0,0]=4 8610 B12R1.125 O=C([O-])COc1ccncc1Cl 34a_100011997054_100020667443 [0,2,0,0,0,0|2,0,0]=4 8611 B12R1.125 O=C([O-])COc1ccncc1F 34a_200000081243_100020667443 [0,2,0,0,0,0|2,0,0]=4 8612 B12R1.125 O=C([O-])COc1cnccc1Cl 34a_100011996695_100020667443 [0,2,0,0,0,0|2,0,0]=4 8613 B12R1.125 O=C([O-])COc1cnccc1I 34a_100000050107_100020667443 [0,2,0,0,0,0|2,0,0]=4 8614 B12R1.125 O=C([O-])COc1coccc1=O 34a_100000060831_100020667443 [0,2,0,0,0,0|2,0,0]=4 8615 B12R1.125 O=C([O-])COc1ncccc1Cl 34a_100011290957_100020667443 [0,2,0,0,0,0|2,0,0]=4 8616 B12R1.125 O=C([O-])COc1ncccc1F 34a_100011219419_100020667443 [0,2,0,0,0,0|2,0,0]=4 8617 B12R1.125 O=C([O-])CSc1ccccc1Br 62a_100000695589_100020667443 [0,2,0,0,0,0|1,1,0]=4 8618 B12R1.125 O=C([O-])CSc1ccccc1Br 62a_100020667443_100000695589 [0,2,0,0,0,0|1,1,0]=4 8619 B12R1.125 O=C([O-])CSc1ccccc1Cl 62a_100000764095_100020667443 [0,2,0,0,0,0|1,1,0]=4 8620 B12R1.125 O=C([O-])CSc1ccccc1Cl 62a_100020667443_100000764095 [0,2,0,0,0,0|1,1,0]=4 8621 B12R1.125 O=C([O-])CSc1ccccc1F 62a_100011215700_100020667443 [0,2,0,0,0,0|1,1,0]=4 8622 B12R1.125 O=C([O-])CSc1ccccc1F 62a_100020667443_100011215700 [0,2,0,0,0,0|1,1,0]=4 8623 B12R1.125 O=C([O-])CSc1ccccc1O 62a_100000739446_100020667443 [0,2,0,0,0,0|1,1,0]=4 8624 B12R1.125 O=C([O-])CSc1ccccc1O 62a_100020667443_100000739446 [0,2,0,0,0,0|1,1,0]=4 8625 B12R1.125 O=[N+]([O-])COc1ccccc1Br 34a_100000181306_100000761209 [0,2,0,0,0,0|2,0,0]=4 8626 B12R1.125 O=[N+]([O-])COc1ccccc1Cl 34a_100000210172_100000761209 [0,2,0,0,0,0|2,0,0]=4 8627 B12R1.125 O=[N+]([O-])COc1ccccc1F 34a_100000210171_100000761209 [0,2,0,0,0,0|2,0,0]=4 8628 B12R1.125 O=[N+]([O-])COc1ccccc1I 34a_100000739446_100000761209 [0,2,0,0,0,0|2,0,0]=4 8629 B12R1.125 Oc1ccccc1OCC(F)F 271570a_203496583355_100000692002 [0,2,0,0,0,0|1,0,1]=4 8630 B12R1.125 [13CH3]C(=O)CCc1ccccc1Br 1458a_100000740810_200025704644 [0,2,0,0,0,0|1,0,1]=4 8631 B12R1.125 [13CH3]C(=O)CCc1ccccc1Cl 1458a_100000184300_200025704644 [0,2,0,0,0,0|1,0,1]=4 8632 B12R1.125 [13CH3]C(=O)CCc1ccccc1F 1458a_100000189703_200025704644 [0,2,0,0,0,0|1,0,1]=4 8633 B12R1.125 [13CH3]C(=O)CCc1ccccc1I 1458a_100000037306_200025704644 [0,2,0,0,0,0|1,0,1]=4 8634 B12R1.125 [13CH3]C(=O)CCc1ccccc1O 1458a_100000181328_200025704644 [0,2,0,0,0,0|1,0,1]=4 8635 B12R1.125 [13CH3]C(=O)COc1ccccc1Br 1458a_100000216496_200025704644 [0,2,0,0,0,0|0,0,1]=3 8636 B12R1.125 [13CH3]C(=O)COc1ccccc1Cl 1458a_100000185159_200025704644 [0,2,0,0,0,0|0,0,1]=3 8637 B12R1.125 [13CH3]C(=O)COc1ccccc1F 1458a_100000182486_200025704644 [0,2,0,0,0,0|0,0,1]=3 8638 B12R1.125 [13CH3]C(=O)COc1ccccc1O 1458a_100000183020_200025704644 [0,2,0,0,0,0|0,0,1]=3 8639 B12R1.125 [13CH3]C(=O)CSc1ccccc1F 1458a_100000179528_200025704644 [0,2,0,0,0,0|0,1,1]=4 8640 B12R1.125 [13CH3]C(=O)CSc1ccccc1O 1458a_100000695322_200025704644 [0,2,0,0,0,0|0,1,1]=4 8641 B12R1.267 BrCCOCc1ccccc1Br 34a_100000211926_100000184730 [0,2,0,0,0,0|1,0,1]=4 8642 B12R1.267 BrCCOCc1ccccc1I 34a_100000211926_100011215278 [0,2,0,0,0,0|1,0,1]=4 8643 B12R1.267 C#CCCOc1ccccc1Br 34a_100000181306_100000688953 [0,2,0,0,0,0|0,0,2]=4 8644 B12R1.267 C#CCCOc1ccccc1Br 7a_100000181306_100000688953 [0,2,0,0,0,0|0,0,2]=4 8645 B12R1.267 C#CCCOc1ccccc1C 34a_100000210338_100000688953 [0,2,0,0,0,0|0,0,2]=4 8646 B12R1.267 C#CCCOc1ccccc1C 7a_100000210338_100000688953 [0,2,0,0,0,0|0,0,2]=4 8647 B12R1.267 C#CCCOc1ccccc1Cl 34a_100000210172_100000688953 [0,2,0,0,0,0|0,0,2]=4 8648 B12R1.267 C#CCCOc1ccccc1Cl 7a_100000210172_100000688953 [0,2,0,0,0,0|0,0,2]=4 8649 B12R1.267 C#CCCOc1ccccc1F 34a_100000210171_100000688953 [0,2,0,0,0,0|0,0,2]=4 8650 B12R1.267 C#CCCOc1ccccc1F 7a_100000210171_100000688953 [0,2,0,0,0,0|0,0,2]=4 8651 B12R1.267 C#CCCOc1ccccc1I 34a_100000739446_100000688953 [0,2,0,0,0,0|0,0,2]=4 8652 B12R1.267 C#CCCOc1ccccc1I 7a_100000739446_100000688953 [0,2,0,0,0,0|0,0,2]=4 8653 B12R1.267 C#CCCOc1ccccc1N 34a_100000185747_100000688953 [0,2,0,0,0,0|0,0,2]=4 8654 B12R1.267 C#CCCOc1ccccc1N 7a_100000185747_100000688953 [0,2,0,0,0,0|0,0,2]=4 8655 B12R1.267 C#CCOCc1ccccc1Br 34a_100000210247_100000184730 [0,2,0,0,0,0|0,0,2]=4 8656 B12R1.267 C#CCOCc1ccccc1Br 34a_100000756307_100000184674 [0,2,0,0,0,0|0,0,2]=4 8657 B12R1.267 C#CCOCc1ccccc1Br 7a_100000756307_100000038162 [0,2,0,0,0,0|0,0,2]=4 8658 B12R1.267 C#CCOCc1ccccc1C 34a_100000210247_100000211839 [0,2,0,0,0,0|0,0,2]=4 8659 B12R1.267 C#CCOCc1ccccc1C 34a_100000698903_100000184674 [0,2,0,0,0,0|0,0,2]=4 8660 B12R1.267 C#CCOCc1ccccc1C 7a_100000698903_100000038162 [0,2,0,0,0,0|0,0,2]=4 8661 B12R1.267 C#CCOCc1ccccc1Cl 34a_100000210247_100000187162 [0,2,0,0,0,0|0,0,2]=4 8662 B12R1.267 C#CCOCc1ccccc1Cl 34a_100000210847_100000184674 [0,2,0,0,0,0|0,0,2]=4 8663 B12R1.267 C#CCOCc1ccccc1Cl 7a_100000210847_100000038162 [0,2,0,0,0,0|0,0,2]=4 8664 B12R1.267 C#CCOCc1ccccc1F 34a_100000210247_100000211605 [0,2,0,0,0,0|0,0,2]=4 8665 B12R1.267 C#CCOCc1ccccc1F 34a_100000211962_100000184674 [0,2,0,0,0,0|0,0,2]=4 8666 B12R1.267 C#CCOCc1ccccc1F 7a_100000211962_100000038162 [0,2,0,0,0,0|0,0,2]=4 8667 B12R1.267 C#CCOCc1ccccc1I 34a_100000187465_100000184674 [0,2,0,0,0,0|0,0,2]=4 8668 B12R1.267 C#CCOCc1ccccc1I 34a_100000210247_100011215278 [0,2,0,0,0,0|0,0,2]=4 8669 B12R1.267 C#CCOCc1ccccc1I 7a_100000187465_100000038162 [0,2,0,0,0,0|0,0,2]=4 8670 B12R1.267 C#CCOCc1ccccc1N 34a_100000212039_100000184674 [0,2,0,0,0,0|0,0,2]=4 8671 B12R1.267 C/C=C/CNc1ccccc1Br 34a_100000210017_100102629194 [0,2,0,0,0,0|1,0,0]=3 8672 B12R1.267 C/C=C/CNc1ccccc1C 34a_100015192222_100102629194 [0,2,0,0,0,0|1,0,0]=3 8673 B12R1.267 C/C=C/CNc1ccccc1Cl 34a_100000185783_100102629194 [0,2,0,0,0,0|1,0,0]=3 8674 B12R1.267 C/C=C/CNc1ccccc1F 34a_100000210422_100102629194 [0,2,0,0,0,0|1,0,0]=3 8675 B12R1.267 C/C=C/CNc1ccccc1I 34a_100000210053_100102629194 [0,2,0,0,0,0|1,0,0]=3 8676 B12R1.267 C/C=C/CNc1ccccc1O 34a_100000185747_100102629194 [0,2,0,0,0,0|1,0,0]=3 8677 B12R1.267 C/C=C/COc1cccc[n+]1[O-] 7a_100000211761_100102629194 [0,2,0,0,0,0|1,0,0]=3 8678 B12R1.267 C/C=C/COc1ccccc1Br 34a_100000181306_100102629194 [0,2,0,0,0,0|0,0,0]=2 8679 B12R1.267 C/C=C/COc1ccccc1Br 7a_100000181306_100102629194 [0,2,0,0,0,0|0,0,0]=2 8680 B12R1.267 C/C=C/COc1ccccc1C 34a_100000210338_100102629194 [0,2,0,0,0,0|0,0,0]=2 8681 B12R1.267 C/C=C/COc1ccccc1C 7a_100000210338_100102629194 [0,2,0,0,0,0|0,0,0]=2 8682 B12R1.267 C/C=C/COc1ccccc1Cl 34a_100000210172_100102629194 [0,2,0,0,0,0|0,0,0]=2 8683 B12R1.267 C/C=C/COc1ccccc1Cl 7a_100000210172_100102629194 [0,2,0,0,0,0|0,0,0]=2 8684 B12R1.267 C/C=C/COc1ccccc1F 34a_100000210171_100102629194 [0,2,0,0,0,0|0,0,0]=2 8685 B12R1.267 C/C=C/COc1ccccc1F 7a_100000210171_100102629194 [0,2,0,0,0,0|0,0,0]=2 8686 B12R1.267 C/C=C/COc1ccccc1I 34a_100000739446_100102629194 [0,2,0,0,0,0|0,0,0]=2 8687 B12R1.267 C/C=C/COc1ccccc1I 7a_100000739446_100102629194 [0,2,0,0,0,0|0,0,0]=2 8688 B12R1.267 C/C=C/COc1ccccc1N 34a_100000185747_100102629194 [0,2,0,0,0,0|0,0,0]=2 8689 B12R1.267 C/C=C/COc1ccccc1N 7a_100000185747_100102629194 [0,2,0,0,0,0|0,0,0]=2 8690 B12R1.267 C/C=C/COc1cccnc1Br 34a_100000744436_100102629194 [0,2,0,0,0,0|1,0,0]=3 8691 B12R1.267 C/C=C/COc1cccnc1Br 7a_100000744436_100102629194 [0,2,0,0,0,0|1,0,0]=3 8692 B12R1.267 C/C=C/COc1cccnc1C 34a_100000745507_100102629194 [0,2,0,0,0,0|1,0,0]=3 8693 B12R1.267 C/C=C/COc1cccnc1C 7a_100000745507_100102629194 [0,2,0,0,0,0|1,0,0]=3 8694 B12R1.267 C/C=C/COc1cccnc1Cl 34a_100000757616_100102629194 [0,2,0,0,0,0|1,0,0]=3 8695 B12R1.267 C/C=C/COc1cccnc1Cl 7a_100000757616_100102629194 [0,2,0,0,0,0|1,0,0]=3 8696 B12R1.267 C/C=C/COc1cccnc1F 34a_100000061740_100102629194 [0,2,0,0,0,0|1,0,0]=3 8697 B12R1.267 C/C=C/COc1cccnc1F 7a_100000061740_100102629194 [0,2,0,0,0,0|1,0,0]=3 8698 B12R1.267 C/C=C/COc1cccnc1I 34a_100000034122_100102629194 [0,2,0,0,0,0|1,0,0]=3 8699 B12R1.267 C/C=C/COc1cccnc1I 7a_100000034122_100102629194 [0,2,0,0,0,0|1,0,0]=3 8700 B12R1.267 C/C=C/COc1cccnc1N 34a_100000211975_100102629194 [0,2,0,0,0,0|1,0,0]=3 8701 B12R1.267 C/C=C/COc1cccnc1N 7a_100000211975_100102629194 [0,2,0,0,0,0|1,0,0]=3 8702 B12R1.267 C/C=C/COc1cccoc1=O 34a_100000077404_100102629194 [0,2,0,0,0,0|1,0,0]=3 8703 B12R1.267 C/C=C/COc1cccoc1=O 7a_100000077404_100102629194 [0,2,0,0,0,0|1,0,0]=3 8704 B12R1.267 C/C=C/COc1ccncc1Br 34a_100011996408_100102629194 [0,2,0,0,0,0|1,0,0]=3 8705 B12R1.267 C/C=C/COc1ccncc1C 34a_100000694293_100102629194 [0,2,0,0,0,0|1,0,0]=3 8706 B12R1.267 C/C=C/COc1ccncc1Cl 34a_100011997054_100102629194 [0,2,0,0,0,0|1,0,0]=3 8707 B12R1.267 C/C=C/COc1ccncc1F 34a_200000081243_100102629194 [0,2,0,0,0,0|1,0,0]=3 8708 B12R1.267 C/C=C/COc1cnccc1C 34a_100011997053_100102629194 [0,2,0,0,0,0|1,0,0]=3 8709 B12R1.267 C/C=C/COc1cnccc1C 7a_100011997053_100102629194 [0,2,0,0,0,0|1,0,0]=3 8710 B12R1.267 C/C=C/COc1cnccc1Cl 34a_100011996695_100102629194 [0,2,0,0,0,0|1,0,0]=3 8711 B12R1.267 C/C=C/COc1cnccc1I 34a_100000050107_100102629194 [0,2,0,0,0,0|1,0,0]=3 8712 B12R1.267 C/C=C/COc1cnccc1N 34a_100000753702_100102629194 [0,2,0,0,0,0|1,0,0]=3 8713 B12R1.267 C/C=C/COc1cncnc1N 7a_100000112926_100102629194 [0,2,0,0,0,0|2,0,0]=4 8714 B12R1.267 C/C=C/COc1coccc1=O 34a_100000060831_100102629194 [0,2,0,0,0,0|1,0,0]=3 8715 B12R1.267 C/C=C/COc1ncccc1Cl 34a_100011290957_100102629194 [0,2,0,0,0,0|1,0,0]=3 8716 B12R1.267 C/C=C/COc1ncccc1F 34a_100011219419_100102629194 [0,2,0,0,0,0|1,0,0]=3 8717 B12R1.267 C/C=C/COc1ncccc1N 34a_100000746358_100102629194 [0,2,0,0,0,0|1,0,0]=3 8718 B12R1.267 C/C=C/COc1nccnc1C 34a_100000766352_100102629194 [0,2,0,0,0,0|2,0,0]=4 8719 B12R1.267 C/C=C/CSc1c[nH]ccc1=O 62a_100009998708_100102629194 [0,2,0,0,0,0|1,1,0]=4 8720 B12R1.267 C/C=C/CSc1c[nH]ccc1=O 62a_100102629194_100009998708 [0,2,0,0,0,0|1,1,0]=4 8721 B12R1.267 C/C=C/CSc1c[nH]ccc1=S 62a_100102629194_200012280681 [0,2,0,0,0,0|1,1,0]=4 8722 B12R1.267 C/C=C/CSc1c[nH]ccc1=S 62a_200012280681_100102629194 [0,2,0,0,0,0|1,1,0]=4 8723 B12R1.267 C/C=C/CSc1cccc[n+]1C 62a_100102629194_100000212160 [0,2,0,0,0,0|1,1,0]=4 8724 B12R1.267 C/C=C/CSc1cccc[n+]1[O-] 62a_100102629194_200000042595 [0,2,0,0,0,0|1,1,0]=4 8725 B12R1.267 C/C=C/CSc1ccccc1Br 62a_100000695589_100102629194 [0,2,0,0,0,0|0,1,0]=3 8726 B12R1.267 C/C=C/CSc1ccccc1Br 62a_100102629194_100000695589 [0,2,0,0,0,0|0,1,0]=3 8727 B12R1.267 C/C=C/CSc1ccccc1C 62a_100000210755_100102629194 [0,2,0,0,0,0|0,1,0]=3 8728 B12R1.267 C/C=C/CSc1ccccc1C 62a_100102629194_100000210755 [0,2,0,0,0,0|0,1,0]=3 8729 B12R1.267 C/C=C/CSc1ccccc1Cl 62a_100000764095_100102629194 [0,2,0,0,0,0|0,1,0]=3 8730 B12R1.267 C/C=C/CSc1ccccc1Cl 62a_100102629194_100000764095 [0,2,0,0,0,0|0,1,0]=3 8731 B12R1.267 C/C=C/CSc1ccccc1F 62a_100011215700_100102629194 [0,2,0,0,0,0|0,1,0]=3 8732 B12R1.267 C/C=C/CSc1ccccc1F 62a_100102629194_100011215700 [0,2,0,0,0,0|0,1,0]=3 8733 B12R1.267 C/C=C/CSc1ccccc1N 62a_100000210017_100102629194 [0,2,0,0,0,0|0,1,0]=3 8734 B12R1.267 C/C=C/CSc1ccccc1N 62a_100102629194_100000210017 [0,2,0,0,0,0|0,1,0]=3 8735 B12R1.267 C/C=C/CSc1ccccc1O 62a_100000739446_100102629194 [0,2,0,0,0,0|0,1,0]=3 8736 B12R1.267 C/C=C/CSc1ccccc1O 62a_100102629194_100000739446 [0,2,0,0,0,0|0,1,0]=3 8737 B12R1.267 C/C=C/CSc1cccnc1Br 62a_100010202626_100102629194 [0,2,0,0,0,0|1,1,0]=4 8738 B12R1.267 C/C=C/CSc1cccnc1Br 62a_100102629194_100010202626 [0,2,0,0,0,0|1,1,0]=4 8739 B12R1.267 C/C=C/CSc1cccnc1C 62a_100000751574_100102629194 [0,2,0,0,0,0|1,1,0]=4 8740 B12R1.267 C/C=C/CSc1cccnc1C 62a_100102629194_100000751574 [0,2,0,0,0,0|1,1,0]=4 8741 B12R1.267 C/C=C/CSc1cccnc1Cl 62a_100000036424_100102629194 [0,2,0,0,0,0|1,1,0]=4 8742 B12R1.267 C/C=C/CSc1cccnc1Cl 62a_100102629194_100000036424 [0,2,0,0,0,0|1,1,0]=4 8743 B12R1.267 C/C=C/CSc1cccnc1F 62a_100009816115_100102629194 [0,2,0,0,0,0|1,1,0]=4 8744 B12R1.267 C/C=C/CSc1cccnc1F 62a_100102629194_100009816115 [0,2,0,0,0,0|1,1,0]=4 8745 B12R1.267 C/C=C/CSc1cccnc1N 62a_100000045569_100102629194 [0,2,0,0,0,0|1,1,0]=4 8746 B12R1.267 C/C=C/CSc1cccnc1N 62a_100102629194_100000045569 [0,2,0,0,0,0|1,1,0]=4 8747 B12R1.267 C/C=C/CSc1cccnc1O 62a_100000760158_100102629194 [0,2,0,0,0,0|1,1,0]=4 8748 B12R1.267 C/C=C/CSc1cccnc1O 62a_100102629194_100000760158 [0,2,0,0,0,0|1,1,0]=4 8749 B12R1.267 C/C=C/CSc1ccncc1Br 62a_100000726257_100102629194 [0,2,0,0,0,0|1,1,0]=4 8750 B12R1.267 C/C=C/CSc1ccncc1Br 62a_100102629194_100000726257 [0,2,0,0,0,0|1,1,0]=4 8751 B12R1.267 C/C=C/CSc1ccncc1C 62a_100000765111_100102629194 [0,2,0,0,0,0|1,1,0]=4 8752 B12R1.267 C/C=C/CSc1ccncc1C 62a_100102629194_100000765111 [0,2,0,0,0,0|1,1,0]=4 8753 B12R1.267 C/C=C/CSc1ccncc1Cl 62a_100000708259_100102629194 [0,2,0,0,0,0|1,1,0]=4 8754 B12R1.267 C/C=C/CSc1ccncc1Cl 62a_100102629194_100000708259 [0,2,0,0,0,0|1,1,0]=4 8755 B12R1.267 C/C=C/CSc1ccncc1F 62a_100000047030_100102629194 [0,2,0,0,0,0|1,1,0]=4 8756 B12R1.267 C/C=C/CSc1ccncc1F 62a_100102629194_100000047030 [0,2,0,0,0,0|1,1,0]=4 8757 B12R1.267 C/C=C/CSc1ccncc1N 62a_100000756074_100102629194 [0,2,0,0,0,0|1,1,0]=4 8758 B12R1.267 C/C=C/CSc1ccncc1N 62a_100102629194_100000756074 [0,2,0,0,0,0|1,1,0]=4 8759 B12R1.267 C/C=C/CSc1ccncc1O 62a_100009817591_100102629194 [0,2,0,0,0,0|1,1,0]=4 8760 B12R1.267 C/C=C/CSc1ccncc1O 62a_100102629194_100009817591 [0,2,0,0,0,0|1,1,0]=4 8761 B12R1.267 C/C=C/CSc1cnccc1Br 62a_100010138639_100102629194 [0,2,0,0,0,0|1,1,0]=4 8762 B12R1.267 C/C=C/CSc1cnccc1Br 62a_100102629194_100010138639 [0,2,0,0,0,0|1,1,0]=4 8763 B12R1.267 C/C=C/CSc1cnccc1C 62a_100000761580_100102629194 [0,2,0,0,0,0|1,1,0]=4 8764 B12R1.267 C/C=C/CSc1cnccc1C 62a_100102629194_100000761580 [0,2,0,0,0,0|1,1,0]=4 8765 B12R1.267 C/C=C/CSc1cnccc1Cl 62a_100009995489_100102629194 [0,2,0,0,0,0|1,1,0]=4 8766 B12R1.267 C/C=C/CSc1cnccc1Cl 62a_100102629194_100009995489 [0,2,0,0,0,0|1,1,0]=4 8767 B12R1.267 C/C=C/CSc1cnccc1F 62a_100009820683_100102629194 [0,2,0,0,0,0|1,1,0]=4 8768 B12R1.267 C/C=C/CSc1cnccc1F 62a_100102629194_100009820683 [0,2,0,0,0,0|1,1,0]=4 8769 B12R1.267 C/C=C/CSc1cnccc1N 62a_100000047001_100102629194 [0,2,0,0,0,0|1,1,0]=4 8770 B12R1.267 C/C=C/CSc1cnccc1N 62a_100102629194_100000047001 [0,2,0,0,0,0|1,1,0]=4 8771 B12R1.267 C/C=C/CSc1ncccc1Br 62a_100000696092_100102629194 [0,2,0,0,0,0|1,1,0]=4 8772 B12R1.267 C/C=C/CSc1ncccc1Br 62a_100102629194_100000696092 [0,2,0,0,0,0|1,1,0]=4 8773 B12R1.267 C/C=C/CSc1ncccc1C 62a_100000751373_100102629194 [0,2,0,0,0,0|1,1,0]=4 8774 B12R1.267 C/C=C/CSc1ncccc1C 62a_100102629194_100000751373 [0,2,0,0,0,0|1,1,0]=4 8775 B12R1.267 C/C=C/CSc1ncccc1Cl 62a_100011356963_100102629194 [0,2,0,0,0,0|1,1,0]=4 8776 B12R1.267 C/C=C/CSc1ncccc1Cl 62a_100102629194_100011356963 [0,2,0,0,0,0|1,1,0]=4 8777 B12R1.267 C/C=C/CSc1ncccc1F 62a_100000685392_100102629194 [0,2,0,0,0,0|1,1,0]=4 8778 B12R1.267 C/C=C/CSc1ncccc1F 62a_100102629194_100000685392 [0,2,0,0,0,0|1,1,0]=4 8779 B12R1.267 C/C=C/CSc1ncccc1N 62a_100000688686_100102629194 [0,2,0,0,0,0|1,1,0]=4 8780 B12R1.267 C/C=C/CSc1ncccc1N 62a_100102629194_100000688686 [0,2,0,0,0,0|1,1,0]=4 8781 B12R1.267 C/C=C/CSc1ncccc1O 62a_100000034122_100102629194 [0,2,0,0,0,0|1,1,0]=4 8782 B12R1.267 C/C=C/CSc1ncccc1O 62a_100102629194_100000034122 [0,2,0,0,0,0|1,1,0]=4 8783 B12R1.267 C=CCCNc1ccccc1Br 34a_100000210017_100000754431 [0,2,0,0,0,0|1,0,0]=3 8784 B12R1.267 C=CCCNc1ccccc1C 34a_100015192222_100000754431 [0,2,0,0,0,0|1,0,0]=3 8785 B12R1.267 C=CCCNc1ccccc1Cl 34a_100000185783_100000754431 [0,2,0,0,0,0|1,0,0]=3 8786 B12R1.267 C=CCCNc1ccccc1F 34a_100000210422_100000754431 [0,2,0,0,0,0|1,0,0]=3 8787 B12R1.267 C=CCCNc1ccccc1I 34a_100000210053_100000754431 [0,2,0,0,0,0|1,0,0]=3 8788 B12R1.267 C=CCCNc1ccccc1O 34a_100000185747_100000754431 [0,2,0,0,0,0|1,0,0]=3 8789 B12R1.267 C=CCCNc1ccncc1Br 27a_100015191253_100000726257 [0,2,0,0,0,0|2,0,0]=4 8790 B12R1.267 C=CCCNc1ccncc1C 27a_100015191253_100000765111 [0,2,0,0,0,0|2,0,0]=4 8791 B12R1.267 C=CCCNc1ccncc1F 27a_100015191253_100000035921 [0,2,0,0,0,0|2,0,0]=4 8792 B12R1.267 C=CCCNc1ncccc1Br 27a_100015191253_100000696092 [0,2,0,0,0,0|2,0,0]=4 8793 B12R1.267 C=CCCOc1cccc[n+]1[O-] 7a_100000211761_100000754431 [0,2,0,0,0,0|1,0,0]=3 8794 B12R1.267 C=CCCOc1ccccc1Br 34a_100000181306_100000754431 [0,2,0,0,0,0|0,0,0]=2 8795 B12R1.267 C=CCCOc1ccccc1Br 7a_100000181306_100000754431 [0,2,0,0,0,0|0,0,0]=2 8796 B12R1.267 C=CCCOc1ccccc1C 34a_100000210338_100000754431 [0,2,0,0,0,0|0,0,0]=2 8797 B12R1.267 C=CCCOc1ccccc1C 7a_100000210338_100000754431 [0,2,0,0,0,0|0,0,0]=2 8798 B12R1.267 C=CCCOc1ccccc1Cl 34a_100000210172_100000754431 [0,2,0,0,0,0|0,0,0]=2 8799 B12R1.267 C=CCCOc1ccccc1Cl 7a_100000210172_100000754431 [0,2,0,0,0,0|0,0,0]=2 8800 B12R1.267 C=CCCOc1ccccc1F 34a_100000210171_100000754431 [0,2,0,0,0,0|0,0,0]=2 8801 B12R1.267 C=CCCOc1ccccc1F 7a_100000210171_100000754431 [0,2,0,0,0,0|0,0,0]=2 8802 B12R1.267 C=CCCOc1ccccc1I 34a_100000739446_100000754431 [0,2,0,0,0,0|0,0,0]=2 8803 B12R1.267 C=CCCOc1ccccc1I 7a_100000739446_100000754431 [0,2,0,0,0,0|0,0,0]=2 8804 B12R1.267 C=CCCOc1ccccc1N 34a_100000185747_100000754431 [0,2,0,0,0,0|0,0,0]=2 8805 B12R1.267 C=CCCOc1ccccc1N 7a_100000185747_100000754431 [0,2,0,0,0,0|0,0,0]=2 8806 B12R1.267 C=CCCOc1cccnc1Br 34a_100000744436_100000754431 [0,2,0,0,0,0|1,0,0]=3 8807 B12R1.267 C=CCCOc1cccnc1Br 7a_100000744436_100000754431 [0,2,0,0,0,0|1,0,0]=3 8808 B12R1.267 C=CCCOc1cccnc1C 34a_100000745507_100000754431 [0,2,0,0,0,0|1,0,0]=3 8809 B12R1.267 C=CCCOc1cccnc1C 7a_100000745507_100000754431 [0,2,0,0,0,0|1,0,0]=3 8810 B12R1.267 C=CCCOc1cccnc1Cl 34a_100000757616_100000754431 [0,2,0,0,0,0|1,0,0]=3 8811 B12R1.267 C=CCCOc1cccnc1Cl 7a_100000757616_100000754431 [0,2,0,0,0,0|1,0,0]=3 8812 B12R1.267 C=CCCOc1cccnc1F 34a_100000061740_100000754431 [0,2,0,0,0,0|1,0,0]=3 8813 B12R1.267 C=CCCOc1cccnc1F 7a_100000061740_100000754431 [0,2,0,0,0,0|1,0,0]=3 8814 B12R1.267 C=CCCOc1cccnc1I 34a_100000034122_100000754431 [0,2,0,0,0,0|1,0,0]=3 8815 B12R1.267 C=CCCOc1cccnc1I 7a_100000034122_100000754431 [0,2,0,0,0,0|1,0,0]=3 8816 B12R1.267 C=CCCOc1cccnc1N 34a_100000211975_100000754431 [0,2,0,0,0,0|1,0,0]=3 8817 B12R1.267 C=CCCOc1cccnc1N 7a_100000211975_100000754431 [0,2,0,0,0,0|1,0,0]=3 8818 B12R1.267 C=CCCOc1cccoc1=O 34a_100000077404_100000754431 [0,2,0,0,0,0|1,0,0]=3 8819 B12R1.267 C=CCCOc1cccoc1=O 7a_100000077404_100000754431 [0,2,0,0,0,0|1,0,0]=3 8820 B12R1.267 C=CCCOc1ccncc1Br 34a_100011996408_100000754431 [0,2,0,0,0,0|1,0,0]=3 8821 B12R1.267 C=CCCOc1ccncc1C 34a_100000694293_100000754431 [0,2,0,0,0,0|1,0,0]=3 8822 B12R1.267 C=CCCOc1ccncc1Cl 34a_100011997054_100000754431 [0,2,0,0,0,0|1,0,0]=3 8823 B12R1.267 C=CCCOc1ccncc1F 34a_200000081243_100000754431 [0,2,0,0,0,0|1,0,0]=3 8824 B12R1.267 C=CCCOc1cnccc1C 34a_100011997053_100000754431 [0,2,0,0,0,0|1,0,0]=3 8825 B12R1.267 C=CCCOc1cnccc1C 7a_100011997053_100000754431 [0,2,0,0,0,0|1,0,0]=3 8826 B12R1.267 C=CCCOc1cnccc1Cl 34a_100011996695_100000754431 [0,2,0,0,0,0|1,0,0]=3 8827 B12R1.267 C=CCCOc1cnccc1I 34a_100000050107_100000754431 [0,2,0,0,0,0|1,0,0]=3 8828 B12R1.267 C=CCCOc1cnccc1N 34a_100000753702_100000754431 [0,2,0,0,0,0|1,0,0]=3 8829 B12R1.267 C=CCCOc1cncnc1N 7a_100000112926_100000754431 [0,2,0,0,0,0|2,0,0]=4 8830 B12R1.267 C=CCCOc1coccc1=O 34a_100000060831_100000754431 [0,2,0,0,0,0|1,0,0]=3 8831 B12R1.267 C=CCCOc1ncccc1Cl 34a_100011290957_100000754431 [0,2,0,0,0,0|1,0,0]=3 8832 B12R1.267 C=CCCOc1ncccc1F 34a_100011219419_100000754431 [0,2,0,0,0,0|1,0,0]=3 8833 B12R1.267 C=CCCOc1ncccc1N 34a_100000746358_100000754431 [0,2,0,0,0,0|1,0,0]=3 8834 B12R1.267 C=CCCOc1nccnc1C 34a_100000766352_100000754431 [0,2,0,0,0,0|2,0,0]=4 8835 B12R1.267 C=CCCSc1c[nH]ccc1=O 62a_100000754431_100009998708 [0,2,0,0,0,0|1,1,0]=4 8836 B12R1.267 C=CCCSc1c[nH]ccc1=O 62a_100009998708_100000754431 [0,2,0,0,0,0|1,1,0]=4 8837 B12R1.267 C=CCCSc1c[nH]ccc1=S 62a_100000754431_200012280681 [0,2,0,0,0,0|1,1,0]=4 8838 B12R1.267 C=CCCSc1c[nH]ccc1=S 62a_200012280681_100000754431 [0,2,0,0,0,0|1,1,0]=4 8839 B12R1.267 C=CCCSc1cccc[n+]1C 62a_100000754431_100000212160 [0,2,0,0,0,0|1,1,0]=4 8840 B12R1.267 C=CCCSc1cccc[n+]1[O-] 62a_100000754431_200000042595 [0,2,0,0,0,0|1,1,0]=4 8841 B12R1.267 C=CCCSc1ccccc1Br 62a_100000695589_100000754431 [0,2,0,0,0,0|0,1,0]=3 8842 B12R1.267 C=CCCSc1ccccc1Br 62a_100000754431_100000695589 [0,2,0,0,0,0|0,1,0]=3 8843 B12R1.267 C=CCCSc1ccccc1C 62a_100000210755_100000754431 [0,2,0,0,0,0|0,1,0]=3 8844 B12R1.267 C=CCCSc1ccccc1C 62a_100000754431_100000210755 [0,2,0,0,0,0|0,1,0]=3 8845 B12R1.267 C=CCCSc1ccccc1Cl 62a_100000754431_100000764095 [0,2,0,0,0,0|0,1,0]=3 8846 B12R1.267 C=CCCSc1ccccc1Cl 62a_100000764095_100000754431 [0,2,0,0,0,0|0,1,0]=3 8847 B12R1.267 C=CCCSc1ccccc1F 62a_100000754431_100011215700 [0,2,0,0,0,0|0,1,0]=3 8848 B12R1.267 C=CCCSc1ccccc1F 62a_100011215700_100000754431 [0,2,0,0,0,0|0,1,0]=3 8849 B12R1.267 C=CCCSc1ccccc1N 62a_100000210017_100000754431 [0,2,0,0,0,0|0,1,0]=3 8850 B12R1.267 C=CCCSc1ccccc1N 62a_100000754431_100000210017 [0,2,0,0,0,0|0,1,0]=3 8851 B12R1.267 C=CCCSc1ccccc1O 62a_100000739446_100000754431 [0,2,0,0,0,0|0,1,0]=3 8852 B12R1.267 C=CCCSc1ccccc1O 62a_100000754431_100000739446 [0,2,0,0,0,0|0,1,0]=3 8853 B12R1.267 C=CCCSc1cccnc1Br 62a_100000754431_100010202626 [0,2,0,0,0,0|1,1,0]=4 8854 B12R1.267 C=CCCSc1cccnc1Br 62a_100010202626_100000754431 [0,2,0,0,0,0|1,1,0]=4 8855 B12R1.267 C=CCCSc1cccnc1C 62a_100000751574_100000754431 [0,2,0,0,0,0|1,1,0]=4 8856 B12R1.267 C=CCCSc1cccnc1C 62a_100000754431_100000751574 [0,2,0,0,0,0|1,1,0]=4 8857 B12R1.267 C=CCCSc1cccnc1Cl 62a_100000036424_100000754431 [0,2,0,0,0,0|1,1,0]=4 8858 B12R1.267 C=CCCSc1cccnc1Cl 62a_100000754431_100000036424 [0,2,0,0,0,0|1,1,0]=4 8859 B12R1.267 C=CCCSc1cccnc1F 62a_100000754431_100009816115 [0,2,0,0,0,0|1,1,0]=4 8860 B12R1.267 C=CCCSc1cccnc1F 62a_100009816115_100000754431 [0,2,0,0,0,0|1,1,0]=4 8861 B12R1.267 C=CCCSc1cccnc1N 62a_100000045569_100000754431 [0,2,0,0,0,0|1,1,0]=4 8862 B12R1.267 C=CCCSc1cccnc1N 62a_100000754431_100000045569 [0,2,0,0,0,0|1,1,0]=4 8863 B12R1.267 C=CCCSc1cccnc1O 62a_100000754431_100000760158 [0,2,0,0,0,0|1,1,0]=4 8864 B12R1.267 C=CCCSc1cccnc1O 62a_100000760158_100000754431 [0,2,0,0,0,0|1,1,0]=4 8865 B12R1.267 C=CCCSc1ccncc1Br 62a_100000726257_100000754431 [0,2,0,0,0,0|1,1,0]=4 8866 B12R1.267 C=CCCSc1ccncc1Br 62a_100000754431_100000726257 [0,2,0,0,0,0|1,1,0]=4 8867 B12R1.267 C=CCCSc1ccncc1C 62a_100000754431_100000765111 [0,2,0,0,0,0|1,1,0]=4 8868 B12R1.267 C=CCCSc1ccncc1C 62a_100000765111_100000754431 [0,2,0,0,0,0|1,1,0]=4 8869 B12R1.267 C=CCCSc1ccncc1Cl 62a_100000708259_100000754431 [0,2,0,0,0,0|1,1,0]=4 8870 B12R1.267 C=CCCSc1ccncc1Cl 62a_100000754431_100000708259 [0,2,0,0,0,0|1,1,0]=4 8871 B12R1.267 C=CCCSc1ccncc1F 62a_100000047030_100000754431 [0,2,0,0,0,0|1,1,0]=4 8872 B12R1.267 C=CCCSc1ccncc1F 62a_100000754431_100000047030 [0,2,0,0,0,0|1,1,0]=4 8873 B12R1.267 C=CCCSc1ccncc1N 62a_100000754431_100000756074 [0,2,0,0,0,0|1,1,0]=4 8874 B12R1.267 C=CCCSc1ccncc1N 62a_100000756074_100000754431 [0,2,0,0,0,0|1,1,0]=4 8875 B12R1.267 C=CCCSc1ccncc1O 62a_100000754431_100009817591 [0,2,0,0,0,0|1,1,0]=4 8876 B12R1.267 C=CCCSc1ccncc1O 62a_100009817591_100000754431 [0,2,0,0,0,0|1,1,0]=4 8877 B12R1.267 C=CCCSc1cnccc1Br 62a_100000754431_100010138639 [0,2,0,0,0,0|1,1,0]=4 8878 B12R1.267 C=CCCSc1cnccc1Br 62a_100010138639_100000754431 [0,2,0,0,0,0|1,1,0]=4 8879 B12R1.267 C=CCCSc1cnccc1C 62a_100000754431_100000761580 [0,2,0,0,0,0|1,1,0]=4 8880 B12R1.267 C=CCCSc1cnccc1C 62a_100000761580_100000754431 [0,2,0,0,0,0|1,1,0]=4 8881 B12R1.267 C=CCCSc1cnccc1Cl 62a_100000754431_100009995489 [0,2,0,0,0,0|1,1,0]=4 8882 B12R1.267 C=CCCSc1cnccc1Cl 62a_100009995489_100000754431 [0,2,0,0,0,0|1,1,0]=4 8883 B12R1.267 C=CCCSc1cnccc1F 62a_100000754431_100009820683 [0,2,0,0,0,0|1,1,0]=4 8884 B12R1.267 C=CCCSc1cnccc1F 62a_100009820683_100000754431 [0,2,0,0,0,0|1,1,0]=4 8885 B12R1.267 C=CCCSc1cnccc1N 62a_100000047001_100000754431 [0,2,0,0,0,0|1,1,0]=4 8886 B12R1.267 C=CCCSc1cnccc1N 62a_100000754431_100000047001 [0,2,0,0,0,0|1,1,0]=4 8887 B12R1.267 C=CCCSc1ncccc1Br 62a_100000696092_100000754431 [0,2,0,0,0,0|1,1,0]=4 8888 B12R1.267 C=CCCSc1ncccc1Br 62a_100000754431_100000696092 [0,2,0,0,0,0|1,1,0]=4 8889 B12R1.267 C=CCCSc1ncccc1C 62a_100000751373_100000754431 [0,2,0,0,0,0|1,1,0]=4 8890 B12R1.267 C=CCCSc1ncccc1C 62a_100000754431_100000751373 [0,2,0,0,0,0|1,1,0]=4 8891 B12R1.267 C=CCCSc1ncccc1Cl 62a_100000754431_100011356963 [0,2,0,0,0,0|1,1,0]=4 8892 B12R1.267 C=CCCSc1ncccc1Cl 62a_100011356963_100000754431 [0,2,0,0,0,0|1,1,0]=4 8893 B12R1.267 C=CCCSc1ncccc1F 62a_100000685392_100000754431 [0,2,0,0,0,0|1,1,0]=4 8894 B12R1.267 C=CCCSc1ncccc1F 62a_100000754431_100000685392 [0,2,0,0,0,0|1,1,0]=4 8895 B12R1.267 C=CCCSc1ncccc1N 62a_100000688686_100000754431 [0,2,0,0,0,0|1,1,0]=4 8896 B12R1.267 C=CCCSc1ncccc1N 62a_100000754431_100000688686 [0,2,0,0,0,0|1,1,0]=4 8897 B12R1.267 C=CCCSc1ncccc1O 62a_100000034122_100000754431 [0,2,0,0,0,0|1,1,0]=4 8898 B12R1.267 C=CCCSc1ncccc1O 62a_100000754431_100000034122 [0,2,0,0,0,0|1,1,0]=4 8899 B12R1.267 C=CCNCc1ccccc1Br 2230a_100000689332_100000210623 [0,2,0,0,0,0|1,0,0]=3 8900 B12R1.267 C=CCNCc1ccccc1Br 2230a_100020586998_100000184730 [0,2,0,0,0,0|1,0,0]=3 8901 B12R1.267 C=CCNCc1ccccc1Br 270004a_100020586998_100000211189 [0,2,0,0,0,0|1,0,0]=3 8902 B12R1.267 C=CCNCc1ccccc1Br 34a_100000689332_100015514636 [0,2,0,0,0,0|1,0,0]=3 8903 B12R1.267 C=CCNCc1ccccc1C 2230a_100020586998_100000211839 [0,2,0,0,0,0|1,0,0]=3 8904 B12R1.267 C=CCNCc1ccccc1C 270004a_100020586998_100000211143 [0,2,0,0,0,0|1,0,0]=3 8905 B12R1.267 C=CCNCc1ccccc1C 34a_100000174972_100015514636 [0,2,0,0,0,0|1,0,0]=3 8906 B12R1.267 C=CCNCc1ccccc1Cl 2230a_100000174879_100000210623 [0,2,0,0,0,0|1,0,0]=3 8907 B12R1.267 C=CCNCc1ccccc1Cl 2230a_100020586998_100000187162 [0,2,0,0,0,0|1,0,0]=3 8908 B12R1.267 C=CCNCc1ccccc1Cl 270004a_100020586998_100000210073 [0,2,0,0,0,0|1,0,0]=3 8909 B12R1.267 C=CCNCc1ccccc1Cl 34a_100000174879_100015514636 [0,2,0,0,0,0|1,0,0]=3 8910 B12R1.267 C=CCNCc1ccccc1F 2230a_100020586998_100000211605 [0,2,0,0,0,0|1,0,0]=3 8911 B12R1.267 C=CCNCc1ccccc1F 270004a_100020586998_100000210811 [0,2,0,0,0,0|1,0,0]=3 8912 B12R1.267 C=CCNCc1ccccc1F 34a_100000174869_100015514636 [0,2,0,0,0,0|1,0,0]=3 8913 B12R1.267 C=CCNCc1ccccc1I 2230a_100020586998_100011215278 [0,2,0,0,0,0|1,0,0]=3 8914 B12R1.267 C=CCNCc1ccccc1I 270004a_100020586998_100000010305 [0,2,0,0,0,0|1,0,0]=3 8915 B12R1.267 C=CCNCc1ccccc1O 34a_100000185550_100015514636 [0,2,0,0,0,0|1,0,0]=3 8916 B12R1.267 C=CCNCc1cccnc1Br 2230a_100009818023_100000210623 [0,2,0,0,0,0|2,0,0]=4 8917 B12R1.267 C=CCNCc1cccnc1Br 2230a_100020586998_100010140945 [0,2,0,0,0,0|2,0,0]=4 8918 B12R1.267 C=CCNCc1cccnc1Br 34a_100009818023_100015514636 [0,2,0,0,0,0|2,0,0]=4 8919 B12R1.267 C=CCNCc1cccnc1C 2230a_100020586998_100000732876 [0,2,0,0,0,0|2,0,0]=4 8920 B12R1.267 C=CCNCc1cccnc1C 270004a_100020586998_100000751968 [0,2,0,0,0,0|2,0,0]=4 8921 B12R1.267 C=CCNCc1cccnc1Cl 2230a_100015189234_100000210623 [0,2,0,0,0,0|2,0,0]=4 8922 B12R1.267 C=CCNCc1cccnc1Cl 2230a_100020586998_100000045678 [0,2,0,0,0,0|2,0,0]=4 8923 B12R1.267 C=CCNCc1cccnc1Cl 34a_100015189234_100015514636 [0,2,0,0,0,0|2,0,0]=4 8924 B12R1.267 C=CCNCc1cccnc1F 2230a_100020586998_100000099810 [0,2,0,0,0,0|2,0,0]=4 8925 B12R1.267 C=CCNCc1cccnc1F 34a_100000724633_100015514636 [0,2,0,0,0,0|2,0,0]=4 8926 B12R1.267 C=CCNCc1cccnc1O 270004a_100020586998_100011998315 [0,2,0,0,0,0|2,0,0]=4 8927 B12R1.267 C=CCNCc1ccncc1Br 270004a_100020586998_100000755692 [0,2,0,0,0,0|2,0,0]=4 8928 B12R1.267 C=CCNCc1ccncc1C 2230a_100020586998_100020672808 [0,2,0,0,0,0|2,0,0]=4 8929 B12R1.267 C=CCNCc1ccncc1Cl 2230a_100020586998_100000763264 [0,2,0,0,0,0|2,0,0]=4 8930 B12R1.267 C=CCNCc1ccncc1Cl 270004a_100020586998_100011934409 [0,2,0,0,0,0|2,0,0]=4 8931 B12R1.267 C=CCNCc1ccncc1F 34a_100011935246_100015514636 [0,2,0,0,0,0|2,0,0]=4 8932 B12R1.267 C=CCNCc1cnccc1Br 270004a_100020586998_100009816821 [0,2,0,0,0,0|2,0,0]=4 8933 B12R1.267 C=CCNCc1cnccc1C 2230a_100020586998_100000690890 [0,2,0,0,0,0|2,0,0]=4 8934 B12R1.267 C=CCNCc1cnccc1C 270004a_100020586998_100000685662 [0,2,0,0,0,0|2,0,0]=4 8935 B12R1.267 C=CCNCc1cnccc1Cl 270004a_100020586998_100000050567 [0,2,0,0,0,0|2,0,0]=4 8936 B12R1.267 C=CCNCc1ncccc1Br 2230a_100020586998_100025702911 [0,2,0,0,0,0|2,0,0]=4 8937 B12R1.267 C=CCNCc1ncccc1Br 270004a_100020586998_100011934733 [0,2,0,0,0,0|2,0,0]=4 8938 B12R1.267 C=CCNCc1ncccc1C 2230a_100020586998_100000696600 [0,2,0,0,0,0|2,0,0]=4 8939 B12R1.267 C=CCNCc1ncccc1C 270004a_100020586998_100000698913 [0,2,0,0,0,0|2,0,0]=4 8940 B12R1.267 C=CCNCc1ncccc1C 34a_100011223789_100015514636 [0,2,0,0,0,0|2,0,0]=4 8941 B12R1.267 C=CCNCc1ncccc1Cl 2230a_100015189233_100000210623 [0,2,0,0,0,0|2,0,0]=4 8942 B12R1.267 C=CCNCc1ncccc1Cl 2230a_100020586998_100000099807 [0,2,0,0,0,0|2,0,0]=4 8943 B12R1.267 C=CCNCc1ncccc1Cl 270004a_100020586998_100012001307 [0,2,0,0,0,0|2,0,0]=4 8944 B12R1.267 C=CCNCc1ncccc1F 2230a_100020586998_100000104219 [0,2,0,0,0,0|2,0,0]=4 8945 B12R1.267 C=CCNCc1ncccc1F 270004a_100020586998_100011934734 [0,2,0,0,0,0|2,0,0]=4 8946 B12R1.267 C=CCNCc1ncccc1F 34a_100000690088_100015514636 [0,2,0,0,0,0|2,0,0]=4 8947 B12R1.267 C=CCOCc1ccccc1Br 34a_100000756307_100015514636 [0,2,0,0,0,0|0,0,0]=2 8948 B12R1.267 C=CCOCc1ccccc1Br 34a_200000210373_100000184730 [0,2,0,0,0,0|0,0,0]=2 8949 B12R1.267 C=CCOCc1ccccc1Br 7a_100000756307_100015514636 [0,2,0,0,0,0|0,0,0]=2 8950 B12R1.267 C=CCOCc1ccccc1C 34a_100000698903_100015514636 [0,2,0,0,0,0|0,0,0]=2 8951 B12R1.267 C=CCOCc1ccccc1C 34a_200000210373_100000211839 [0,2,0,0,0,0|0,0,0]=2 8952 B12R1.267 C=CCOCc1ccccc1C 7a_100000698903_100015514636 [0,2,0,0,0,0|0,0,0]=2 8953 B12R1.267 C=CCOCc1ccccc1Cl 34a_100000210847_100015514636 [0,2,0,0,0,0|0,0,0]=2 8954 B12R1.267 C=CCOCc1ccccc1Cl 34a_200000210373_100000187162 [0,2,0,0,0,0|0,0,0]=2 8955 B12R1.267 C=CCOCc1ccccc1Cl 7a_100000210847_100015514636 [0,2,0,0,0,0|0,0,0]=2 8956 B12R1.267 C=CCOCc1ccccc1F 34a_100000211962_100015514636 [0,2,0,0,0,0|0,0,0]=2 8957 B12R1.267 C=CCOCc1ccccc1F 34a_200000210373_100000211605 [0,2,0,0,0,0|0,0,0]=2 8958 B12R1.267 C=CCOCc1ccccc1F 7a_100000211962_100015514636 [0,2,0,0,0,0|0,0,0]=2 8959 B12R1.267 C=CCOCc1ccccc1I 34a_100000187465_100015514636 [0,2,0,0,0,0|0,0,0]=2 8960 B12R1.267 C=CCOCc1ccccc1I 34a_200000210373_100011215278 [0,2,0,0,0,0|0,0,0]=2 8961 B12R1.267 C=CCOCc1ccccc1I 7a_100000187465_100015514636 [0,2,0,0,0,0|0,0,0]=2 8962 B12R1.267 C=CCOCc1ccccc1N 34a_100000212039_100015514636 [0,2,0,0,0,0|0,0,0]=2 8963 B12R1.267 C=CCOCc1cccnc1Br 34a_100000719692_100015514636 [0,2,0,0,0,0|1,0,0]=3 8964 B12R1.267 C=CCOCc1cccnc1Br 34a_200000210373_100010140945 [0,2,0,0,0,0|1,0,0]=3 8965 B12R1.267 C=CCOCc1cccnc1Br 7a_100000719692_100015514636 [0,2,0,0,0,0|1,0,0]=3 8966 B12R1.267 C=CCOCc1cccnc1C 34a_100000729262_100015514636 [0,2,0,0,0,0|1,0,0]=3 8967 B12R1.267 C=CCOCc1cccnc1C 34a_200000210373_100000732876 [0,2,0,0,0,0|1,0,0]=3 8968 B12R1.267 C=CCOCc1cccnc1C 7a_100000729262_100015514636 [0,2,0,0,0,0|1,0,0]=3 8969 B12R1.267 C=CCOCc1cccnc1Cl 34a_100000748726_100015514636 [0,2,0,0,0,0|1,0,0]=3 8970 B12R1.267 C=CCOCc1cccnc1Cl 34a_200000210373_100000045678 [0,2,0,0,0,0|1,0,0]=3 8971 B12R1.267 C=CCOCc1cccnc1Cl 7a_100000748726_100015514636 [0,2,0,0,0,0|1,0,0]=3 8972 B12R1.267 C=CCOCc1cccnc1F 34a_100000079888_100015514636 [0,2,0,0,0,0|1,0,0]=3 8973 B12R1.267 C=CCOCc1cccnc1F 34a_200000210373_100000099810 [0,2,0,0,0,0|1,0,0]=3 8974 B12R1.267 C=CCOCc1cccnc1F 7a_100000079888_100015514636 [0,2,0,0,0,0|1,0,0]=3 8975 B12R1.267 C=CCOCc1ccncc1C 34a_100011997032_100015514636 [0,2,0,0,0,0|1,0,0]=3 8976 B12R1.267 C=CCOCc1ccncc1C 34a_200000210373_100020672809 [0,2,0,0,0,0|1,0,0]=3 8977 B12R1.267 C=CCOCc1ccncc1F 34a_100012172863_100015514636 [0,2,0,0,0,0|1,0,0]=3 8978 B12R1.267 C=CCOCc1cnccc1C 34a_100011996381_100015514636 [0,2,0,0,0,0|1,0,0]=3 8979 B12R1.267 C=CCOCc1cnccc1C 34a_200000210373_100000690890 [0,2,0,0,0,0|1,0,0]=3 8980 B12R1.267 C=CCOCc1cnccc1Cl 34a_100000117392_100015514636 [0,2,0,0,0,0|1,0,0]=3 8981 B12R1.267 C=CCOCc1ncccc1Br 34a_100011996772_100015514636 [0,2,0,0,0,0|1,0,0]=3 8982 B12R1.267 C=CCOCc1ncccc1Br 34a_200000210373_100025702911 [0,2,0,0,0,0|1,0,0]=3 8983 B12R1.267 C=CCOCc1ncccc1C 34a_100000698912_100015514636 [0,2,0,0,0,0|1,0,0]=3 8984 B12R1.267 C=CCOCc1ncccc1C 34a_200000210373_100000696600 [0,2,0,0,0,0|1,0,0]=3 8985 B12R1.267 C=CCOCc1ncccc1Cl 34a_100012002383_100015514636 [0,2,0,0,0,0|1,0,0]=3 8986 B12R1.267 C=CCOCc1ncccc1F 34a_100011934865_100015514636 [0,2,0,0,0,0|1,0,0]=3 8987 B12R1.267 C=CCOCc1ncccc1F 34a_200000210373_100000104219 [0,2,0,0,0,0|1,0,0]=3 8988 B12R1.267 C=CCOCc1ncccc1N 34a_114873767017_100015514636 [0,2,0,0,0,0|1,0,0]=3 8989 B12R1.267 C=CCOCc1ncccc1O 34a_200000210373_200020655725 [0,2,0,0,0,0|1,0,0]=3 8990 B12R1.267 C=CCOCc1nccnc1Cl 34a_100000057004_100015514636 [0,2,0,0,0,0|2,0,0]=4 8991 B12R1.267 C=CCSCc1ccccc1Br 62a_100000184730_100000210623 [0,2,0,0,0,0|0,1,0]=3 8992 B12R1.267 C=CCSCc1ccccc1Br 62a_100000210623_100000184730 [0,2,0,0,0,0|0,1,0]=3 8993 B12R1.267 C=CCSCc1ccccc1C 62a_100000210623_100000211839 [0,2,0,0,0,0|0,1,0]=3 8994 B12R1.267 C=CCSCc1ccccc1C 62a_100000211839_100000210623 [0,2,0,0,0,0|0,1,0]=3 8995 B12R1.267 C=CCSCc1ccccc1Cl 62a_100000187162_100000210623 [0,2,0,0,0,0|0,1,0]=3 8996 B12R1.267 C=CCSCc1ccccc1Cl 62a_100000210623_100000187162 [0,2,0,0,0,0|0,1,0]=3 8997 B12R1.267 C=CCSCc1ccccc1F 62a_100000210623_100000211605 [0,2,0,0,0,0|0,1,0]=3 8998 B12R1.267 C=CCSCc1ccccc1F 62a_100000211605_100000210623 [0,2,0,0,0,0|0,1,0]=3 8999 B12R1.267 C=CCSCc1ccccc1I 62a_100000210623_100011216222 [0,2,0,0,0,0|0,1,0]=3 9000 B12R1.267 C=CCSCc1ccccc1I 62a_100011216222_100000210623 [0,2,0,0,0,0|0,1,0]=3 9001 B12R1.267 C=CCSCc1cccnc1Br 62a_100000210623_100010140945 [0,2,0,0,0,0|1,1,0]=4 9002 B12R1.267 C=CCSCc1cccnc1Br 62a_100010140945_100000210623 [0,2,0,0,0,0|1,1,0]=4 9003 B12R1.267 C=CCSCc1cccnc1C 62a_100000210623_100000732876 [0,2,0,0,0,0|1,1,0]=4 9004 B12R1.267 C=CCSCc1cccnc1C 62a_100000732876_100000210623 [0,2,0,0,0,0|1,1,0]=4 9005 B12R1.267 C=CCSCc1cccnc1Cl 62a_100000045678_100000210623 [0,2,0,0,0,0|1,1,0]=4 9006 B12R1.267 C=CCSCc1cccnc1Cl 62a_100000210623_100000045678 [0,2,0,0,0,0|1,1,0]=4 9007 B12R1.267 C=CCSCc1cccnc1F 62a_100000099810_100000210623 [0,2,0,0,0,0|1,1,0]=4 9008 B12R1.267 C=CCSCc1cccnc1F 62a_100000210623_100000099810 [0,2,0,0,0,0|1,1,0]=4 9009 B12R1.267 C=CCSCc1ccncc1C 62a_100000210623_100020672808 [0,2,0,0,0,0|1,1,0]=4 9010 B12R1.267 C=CCSCc1ccncc1C 62a_100020672808_100000210623 [0,2,0,0,0,0|1,1,0]=4 9011 B12R1.267 C=CCSCc1ccncc1Cl 62a_100000210623_100000763264 [0,2,0,0,0,0|1,1,0]=4 9012 B12R1.267 C=CCSCc1ccncc1Cl 62a_100000763264_100000210623 [0,2,0,0,0,0|1,1,0]=4 9013 B12R1.267 C=CCSCc1cnccc1C 62a_100000210623_100000690890 [0,2,0,0,0,0|1,1,0]=4 9014 B12R1.267 C=CCSCc1cnccc1C 62a_100000690890_100000210623 [0,2,0,0,0,0|1,1,0]=4 9015 B12R1.267 C=CCSCc1ncccc1Br 62a_100000210623_100025702911 [0,2,0,0,0,0|1,1,0]=4 9016 B12R1.267 C=CCSCc1ncccc1Br 62a_100025702911_100000210623 [0,2,0,0,0,0|1,1,0]=4 9017 B12R1.267 C=CCSCc1ncccc1C 62a_100000210623_100000696600 [0,2,0,0,0,0|1,1,0]=4 9018 B12R1.267 C=CCSCc1ncccc1C 62a_100000696600_100000210623 [0,2,0,0,0,0|1,1,0]=4 9019 B12R1.267 C=CCSCc1ncccc1Cl 62a_100000099807_100000210623 [0,2,0,0,0,0|1,1,0]=4 9020 B12R1.267 C=CCSCc1ncccc1Cl 62a_100000210623_100000099807 [0,2,0,0,0,0|1,1,0]=4 9021 B12R1.267 C=CCSCc1ncccc1F 62a_100000104219_100000210623 [0,2,0,0,0,0|1,1,0]=4 9022 B12R1.267 C=CCSCc1ncccc1F 62a_100000210623_100000104219 [0,2,0,0,0,0|1,1,0]=4 9023 B12R1.267 C=CCSCc1ncccc1O 62a_100000210623_200020655725 [0,2,0,0,0,0|1,1,0]=4 9024 B12R1.267 C=CCSCc1ncccc1O 62a_200020655725_100000210623 [0,2,0,0,0,0|1,1,0]=4 9025 B12R1.267 CC#CCOc1ccccc1Br 34a_100000181306_100000748600 [0,2,0,0,0,0|0,0,2]=4 9026 B12R1.267 CC#CCOc1ccccc1Br 7a_100000181306_100000748600 [0,2,0,0,0,0|0,0,2]=4 9027 B12R1.267 CC#CCOc1ccccc1C 34a_100000210338_100000748600 [0,2,0,0,0,0|0,0,2]=4 9028 B12R1.267 CC#CCOc1ccccc1C 7a_100000210338_100000748600 [0,2,0,0,0,0|0,0,2]=4 9029 B12R1.267 CC#CCOc1ccccc1Cl 34a_100000210172_100000748600 [0,2,0,0,0,0|0,0,2]=4 9030 B12R1.267 CC#CCOc1ccccc1Cl 7a_100000210172_100000748600 [0,2,0,0,0,0|0,0,2]=4 9031 B12R1.267 CC#CCOc1ccccc1F 34a_100000210171_100000748600 [0,2,0,0,0,0|0,0,2]=4 9032 B12R1.267 CC#CCOc1ccccc1F 7a_100000210171_100000748600 [0,2,0,0,0,0|0,0,2]=4 9033 B12R1.267 CC#CCOc1ccccc1I 34a_100000739446_100000748600 [0,2,0,0,0,0|0,0,2]=4 9034 B12R1.267 CC#CCOc1ccccc1I 7a_100000739446_100000748600 [0,2,0,0,0,0|0,0,2]=4 9035 B12R1.267 CC#CCOc1ccccc1N 34a_100000185747_100000748600 [0,2,0,0,0,0|0,0,2]=4 9036 B12R1.267 CC#CCOc1ccccc1N 7a_100000185747_100000748600 [0,2,0,0,0,0|0,0,2]=4 9037 B12R1.267 CC=CCNc1ccccc1Br 34a_100000210017_100000070051 [0,2,0,0,0,0|1,0,0]=3 9038 B12R1.267 CC=CCNc1ccccc1C 34a_100015192222_100000070051 [0,2,0,0,0,0|1,0,0]=3 9039 B12R1.267 CC=CCNc1ccccc1Cl 34a_100000185783_100000070051 [0,2,0,0,0,0|1,0,0]=3 9040 B12R1.267 CC=CCNc1ccccc1F 34a_100000210422_100000070051 [0,2,0,0,0,0|1,0,0]=3 9041 B12R1.267 CC=CCNc1ccccc1I 34a_100000210053_100000070051 [0,2,0,0,0,0|1,0,0]=3 9042 B12R1.267 CC=CCNc1ccccc1O 34a_100000185747_100000070051 [0,2,0,0,0,0|1,0,0]=3 9043 B12R1.267 CC=CCOc1cccc[n+]1[O-] 7a_100000211761_100000070051 [0,2,0,0,0,0|1,0,0]=3 9044 B12R1.267 CC=CCOc1ccccc1Br 34a_100000181306_100000070051 [0,2,0,0,0,0|0,0,0]=2 9045 B12R1.267 CC=CCOc1ccccc1Br 7a_100000181306_100000070051 [0,2,0,0,0,0|0,0,0]=2 9046 B12R1.267 CC=CCOc1ccccc1C 34a_100000210338_100000070051 [0,2,0,0,0,0|0,0,0]=2 9047 B12R1.267 CC=CCOc1ccccc1C 7a_100000210338_100000070051 [0,2,0,0,0,0|0,0,0]=2 9048 B12R1.267 CC=CCOc1ccccc1Cl 34a_100000210172_100000070051 [0,2,0,0,0,0|0,0,0]=2 9049 B12R1.267 CC=CCOc1ccccc1Cl 7a_100000210172_100000070051 [0,2,0,0,0,0|0,0,0]=2 9050 B12R1.267 CC=CCOc1ccccc1F 34a_100000210171_100000070051 [0,2,0,0,0,0|0,0,0]=2 9051 B12R1.267 CC=CCOc1ccccc1F 7a_100000210171_100000070051 [0,2,0,0,0,0|0,0,0]=2 9052 B12R1.267 CC=CCOc1ccccc1I 34a_100000739446_100000070051 [0,2,0,0,0,0|0,0,0]=2 9053 B12R1.267 CC=CCOc1ccccc1I 7a_100000739446_100000070051 [0,2,0,0,0,0|0,0,0]=2 9054 B12R1.267 CC=CCOc1ccccc1N 34a_100000185747_100000070051 [0,2,0,0,0,0|0,0,0]=2 9055 B12R1.267 CC=CCOc1ccccc1N 7a_100000185747_100000070051 [0,2,0,0,0,0|0,0,0]=2 9056 B12R1.267 CC=CCOc1cccnc1Br 34a_100000744436_100000070051 [0,2,0,0,0,0|1,0,0]=3 9057 B12R1.267 CC=CCOc1cccnc1Br 7a_100000744436_100000070051 [0,2,0,0,0,0|1,0,0]=3 9058 B12R1.267 CC=CCOc1cccnc1C 34a_100000745507_100000070051 [0,2,0,0,0,0|1,0,0]=3 9059 B12R1.267 CC=CCOc1cccnc1C 7a_100000745507_100000070051 [0,2,0,0,0,0|1,0,0]=3 9060 B12R1.267 CC=CCOc1cccnc1Cl 34a_100000757616_100000070051 [0,2,0,0,0,0|1,0,0]=3 9061 B12R1.267 CC=CCOc1cccnc1Cl 7a_100000757616_100000070051 [0,2,0,0,0,0|1,0,0]=3 9062 B12R1.267 CC=CCOc1cccnc1F 34a_100000061740_100000070051 [0,2,0,0,0,0|1,0,0]=3 9063 B12R1.267 CC=CCOc1cccnc1F 7a_100000061740_100000070051 [0,2,0,0,0,0|1,0,0]=3 9064 B12R1.267 CC=CCOc1cccnc1I 34a_100000034122_100000070051 [0,2,0,0,0,0|1,0,0]=3 9065 B12R1.267 CC=CCOc1cccnc1I 7a_100000034122_100000070051 [0,2,0,0,0,0|1,0,0]=3 9066 B12R1.267 CC=CCOc1cccnc1N 34a_100000211975_100000070051 [0,2,0,0,0,0|1,0,0]=3 9067 B12R1.267 CC=CCOc1cccnc1N 7a_100000211975_100000070051 [0,2,0,0,0,0|1,0,0]=3 9068 B12R1.267 CC=CCOc1cccoc1=O 34a_100000077404_100000070051 [0,2,0,0,0,0|1,0,0]=3 9069 B12R1.267 CC=CCOc1cccoc1=O 7a_100000077404_100000070051 [0,2,0,0,0,0|1,0,0]=3 9070 B12R1.267 CC=CCOc1ccncc1Br 34a_100011996408_100000070051 [0,2,0,0,0,0|1,0,0]=3 9071 B12R1.267 CC=CCOc1ccncc1C 34a_100000694293_100000070051 [0,2,0,0,0,0|1,0,0]=3 9072 B12R1.267 CC=CCOc1ccncc1Cl 34a_100011997054_100000070051 [0,2,0,0,0,0|1,0,0]=3 9073 B12R1.267 CC=CCOc1ccncc1F 34a_200000081243_100000070051 [0,2,0,0,0,0|1,0,0]=3 9074 B12R1.267 CC=CCOc1cnccc1C 34a_100011997053_100000070051 [0,2,0,0,0,0|1,0,0]=3 9075 B12R1.267 CC=CCOc1cnccc1C 7a_100011997053_100000070051 [0,2,0,0,0,0|1,0,0]=3 9076 B12R1.267 CC=CCOc1cnccc1Cl 34a_100011996695_100000070051 [0,2,0,0,0,0|1,0,0]=3 9077 B12R1.267 CC=CCOc1cnccc1I 34a_100000050107_100000070051 [0,2,0,0,0,0|1,0,0]=3 9078 B12R1.267 CC=CCOc1cnccc1N 34a_100000753702_100000070051 [0,2,0,0,0,0|1,0,0]=3 9079 B12R1.267 CC=CCOc1cncnc1N 7a_100000112926_100000070051 [0,2,0,0,0,0|2,0,0]=4 9080 B12R1.267 CC=CCOc1coccc1=O 34a_100000060831_100000070051 [0,2,0,0,0,0|1,0,0]=3 9081 B12R1.267 CC=CCOc1ncccc1Cl 34a_100011290957_100000070051 [0,2,0,0,0,0|1,0,0]=3 9082 B12R1.267 CC=CCOc1ncccc1F 34a_100011219419_100000070051 [0,2,0,0,0,0|1,0,0]=3 9083 B12R1.267 CC=CCOc1ncccc1N 34a_100000746358_100000070051 [0,2,0,0,0,0|1,0,0]=3 9084 B12R1.267 CC=CCOc1nccnc1C 34a_100000766352_100000070051 [0,2,0,0,0,0|2,0,0]=4 9085 B12R1.267 CC=CCSc1c[nH]ccc1=O 62a_100000070051_100009998708 [0,2,0,0,0,0|1,1,0]=4 9086 B12R1.267 CC=CCSc1c[nH]ccc1=O 62a_100009998708_100000070051 [0,2,0,0,0,0|1,1,0]=4 9087 B12R1.267 CC=CCSc1c[nH]ccc1=S 62a_100000070051_200012280681 [0,2,0,0,0,0|1,1,0]=4 9088 B12R1.267 CC=CCSc1c[nH]ccc1=S 62a_200012280681_100000070051 [0,2,0,0,0,0|1,1,0]=4 9089 B12R1.267 CC=CCSc1cccc[n+]1C 62a_100000070051_100000212160 [0,2,0,0,0,0|1,1,0]=4 9090 B12R1.267 CC=CCSc1cccc[n+]1[O-] 62a_100000070051_200000042595 [0,2,0,0,0,0|1,1,0]=4 9091 B12R1.267 CC=CCSc1ccccc1Br 62a_100000070051_100000695589 [0,2,0,0,0,0|0,1,0]=3 9092 B12R1.267 CC=CCSc1ccccc1Br 62a_100000695589_100000070051 [0,2,0,0,0,0|0,1,0]=3 9093 B12R1.267 CC=CCSc1ccccc1C 62a_100000070051_100000210755 [0,2,0,0,0,0|0,1,0]=3 9094 B12R1.267 CC=CCSc1ccccc1C 62a_100000210755_100000070051 [0,2,0,0,0,0|0,1,0]=3 9095 B12R1.267 CC=CCSc1ccccc1Cl 62a_100000070051_100000764095 [0,2,0,0,0,0|0,1,0]=3 9096 B12R1.267 CC=CCSc1ccccc1Cl 62a_100000764095_100000070051 [0,2,0,0,0,0|0,1,0]=3 9097 B12R1.267 CC=CCSc1ccccc1F 62a_100000070051_100011215700 [0,2,0,0,0,0|0,1,0]=3 9098 B12R1.267 CC=CCSc1ccccc1F 62a_100011215700_100000070051 [0,2,0,0,0,0|0,1,0]=3 9099 B12R1.267 CC=CCSc1ccccc1N 62a_100000070051_100000210017 [0,2,0,0,0,0|0,1,0]=3 9100 B12R1.267 CC=CCSc1ccccc1N 62a_100000210017_100000070051 [0,2,0,0,0,0|0,1,0]=3 9101 B12R1.267 CC=CCSc1ccccc1O 62a_100000070051_100000739446 [0,2,0,0,0,0|0,1,0]=3 9102 B12R1.267 CC=CCSc1ccccc1O 62a_100000739446_100000070051 [0,2,0,0,0,0|0,1,0]=3 9103 B12R1.267 CC=CCSc1cccnc1Br 62a_100000070051_100010202626 [0,2,0,0,0,0|1,1,0]=4 9104 B12R1.267 CC=CCSc1cccnc1Br 62a_100010202626_100000070051 [0,2,0,0,0,0|1,1,0]=4 9105 B12R1.267 CC=CCSc1cccnc1C 62a_100000070051_100000751574 [0,2,0,0,0,0|1,1,0]=4 9106 B12R1.267 CC=CCSc1cccnc1C 62a_100000751574_100000070051 [0,2,0,0,0,0|1,1,0]=4 9107 B12R1.267 CC=CCSc1cccnc1Cl 62a_100000036424_100000070051 [0,2,0,0,0,0|1,1,0]=4 9108 B12R1.267 CC=CCSc1cccnc1Cl 62a_100000070051_100000036424 [0,2,0,0,0,0|1,1,0]=4 9109 B12R1.267 CC=CCSc1cccnc1F 62a_100000070051_100009816115 [0,2,0,0,0,0|1,1,0]=4 9110 B12R1.267 CC=CCSc1cccnc1F 62a_100009816115_100000070051 [0,2,0,0,0,0|1,1,0]=4 9111 B12R1.267 CC=CCSc1cccnc1N 62a_100000045569_100000070051 [0,2,0,0,0,0|1,1,0]=4 9112 B12R1.267 CC=CCSc1cccnc1N 62a_100000070051_100000045569 [0,2,0,0,0,0|1,1,0]=4 9113 B12R1.267 CC=CCSc1cccnc1O 62a_100000070051_100000760158 [0,2,0,0,0,0|1,1,0]=4 9114 B12R1.267 CC=CCSc1cccnc1O 62a_100000760158_100000070051 [0,2,0,0,0,0|1,1,0]=4 9115 B12R1.267 CC=CCSc1ccncc1Br 62a_100000070051_100000726257 [0,2,0,0,0,0|1,1,0]=4 9116 B12R1.267 CC=CCSc1ccncc1Br 62a_100000726257_100000070051 [0,2,0,0,0,0|1,1,0]=4 9117 B12R1.267 CC=CCSc1ccncc1C 62a_100000070051_100000765111 [0,2,0,0,0,0|1,1,0]=4 9118 B12R1.267 CC=CCSc1ccncc1C 62a_100000765111_100000070051 [0,2,0,0,0,0|1,1,0]=4 9119 B12R1.267 CC=CCSc1ccncc1Cl 62a_100000070051_100000708259 [0,2,0,0,0,0|1,1,0]=4 9120 B12R1.267 CC=CCSc1ccncc1Cl 62a_100000708259_100000070051 [0,2,0,0,0,0|1,1,0]=4 9121 B12R1.267 CC=CCSc1ccncc1F 62a_100000047030_100000070051 [0,2,0,0,0,0|1,1,0]=4 9122 B12R1.267 CC=CCSc1ccncc1F 62a_100000070051_100000047030 [0,2,0,0,0,0|1,1,0]=4 9123 B12R1.267 CC=CCSc1ccncc1N 62a_100000070051_100000756074 [0,2,0,0,0,0|1,1,0]=4 9124 B12R1.267 CC=CCSc1ccncc1N 62a_100000756074_100000070051 [0,2,0,0,0,0|1,1,0]=4 9125 B12R1.267 CC=CCSc1ccncc1O 62a_100000070051_100009817591 [0,2,0,0,0,0|1,1,0]=4 9126 B12R1.267 CC=CCSc1ccncc1O 62a_100009817591_100000070051 [0,2,0,0,0,0|1,1,0]=4 9127 B12R1.267 CC=CCSc1cnccc1Br 62a_100000070051_100010138639 [0,2,0,0,0,0|1,1,0]=4 9128 B12R1.267 CC=CCSc1cnccc1Br 62a_100010138639_100000070051 [0,2,0,0,0,0|1,1,0]=4 9129 B12R1.267 CC=CCSc1cnccc1C 62a_100000070051_100000761580 [0,2,0,0,0,0|1,1,0]=4 9130 B12R1.267 CC=CCSc1cnccc1C 62a_100000761580_100000070051 [0,2,0,0,0,0|1,1,0]=4 9131 B12R1.267 CC=CCSc1cnccc1Cl 62a_100000070051_100009995489 [0,2,0,0,0,0|1,1,0]=4 9132 B12R1.267 CC=CCSc1cnccc1Cl 62a_100009995489_100000070051 [0,2,0,0,0,0|1,1,0]=4 9133 B12R1.267 CC=CCSc1cnccc1F 62a_100000070051_100009820683 [0,2,0,0,0,0|1,1,0]=4 9134 B12R1.267 CC=CCSc1cnccc1F 62a_100009820683_100000070051 [0,2,0,0,0,0|1,1,0]=4 9135 B12R1.267 CC=CCSc1cnccc1N 62a_100000047001_100000070051 [0,2,0,0,0,0|1,1,0]=4 9136 B12R1.267 CC=CCSc1cnccc1N 62a_100000070051_100000047001 [0,2,0,0,0,0|1,1,0]=4 9137 B12R1.267 CC=CCSc1ncccc1Br 62a_100000070051_100000696092 [0,2,0,0,0,0|1,1,0]=4 9138 B12R1.267 CC=CCSc1ncccc1Br 62a_100000696092_100000070051 [0,2,0,0,0,0|1,1,0]=4 9139 B12R1.267 CC=CCSc1ncccc1C 62a_100000070051_100000751373 [0,2,0,0,0,0|1,1,0]=4 9140 B12R1.267 CC=CCSc1ncccc1C 62a_100000751373_100000070051 [0,2,0,0,0,0|1,1,0]=4 9141 B12R1.267 CC=CCSc1ncccc1Cl 62a_100000070051_100011356963 [0,2,0,0,0,0|1,1,0]=4 9142 B12R1.267 CC=CCSc1ncccc1Cl 62a_100011356963_100000070051 [0,2,0,0,0,0|1,1,0]=4 9143 B12R1.267 CC=CCSc1ncccc1F 62a_100000070051_100000685392 [0,2,0,0,0,0|1,1,0]=4 9144 B12R1.267 CC=CCSc1ncccc1F 62a_100000685392_100000070051 [0,2,0,0,0,0|1,1,0]=4 9145 B12R1.267 CC=CCSc1ncccc1N 62a_100000070051_100000688686 [0,2,0,0,0,0|1,1,0]=4 9146 B12R1.267 CC=CCSc1ncccc1N 62a_100000688686_100000070051 [0,2,0,0,0,0|1,1,0]=4 9147 B12R1.267 CC=CCSc1ncccc1O 62a_100000034122_100000070051 [0,2,0,0,0,0|1,1,0]=4 9148 B12R1.267 CC=CCSc1ncccc1O 62a_100000070051_100000034122 [0,2,0,0,0,0|1,1,0]=4 9149 B12R1.267 CCCCOc1ccccc1Br 34a_100000181306_100000210210 [0,2,0,0,0,0|0,0,2]=4 9150 B12R1.267 CCCCOc1ccccc1Br 7a_100000181306_100000210211 [0,2,0,0,0,0|0,0,2]=4 9151 B12R1.267 CCCCOc1ccccc1C 34a_100000210338_100000210210 [0,2,0,0,0,0|0,0,2]=4 9152 B12R1.267 CCCCOc1ccccc1C 7a_100000210338_100000210211 [0,2,0,0,0,0|0,0,2]=4 9153 B12R1.267 CCCCOc1ccccc1Cl 34a_100000210172_100000210210 [0,2,0,0,0,0|0,0,2]=4 9154 B12R1.267 CCCCOc1ccccc1Cl 7a_100000210172_100000210211 [0,2,0,0,0,0|0,0,2]=4 9155 B12R1.267 CCCCOc1ccccc1F 34a_100000210171_100000210210 [0,2,0,0,0,0|0,0,2]=4 9156 B12R1.267 CCCCOc1ccccc1F 7a_100000210171_100000210211 [0,2,0,0,0,0|0,0,2]=4 9157 B12R1.267 CCCCOc1ccccc1I 34a_100000739446_100000210210 [0,2,0,0,0,0|0,0,2]=4 9158 B12R1.267 CCCCOc1ccccc1I 7a_100000739446_100000210211 [0,2,0,0,0,0|0,0,2]=4 9159 B12R1.267 CCCCOc1ccccc1N 34a_100000185747_100000210210 [0,2,0,0,0,0|0,0,2]=4 9160 B12R1.267 CCCCOc1ccccc1N 7a_100000185747_100000210211 [0,2,0,0,0,0|0,0,2]=4 9161 B12R1.267 CCCCOc1ccccc1O 271570a_203496583355_100000230755 [0,2,0,0,0,0|0,0,2]=4 9162 B12R1.267 CCCOCc1ccccc1Br 34a_100000210258_100000184730 [0,2,0,0,0,0|0,0,2]=4 9163 B12R1.267 CCCOCc1ccccc1Br 34a_100000756307_100000210303 [0,2,0,0,0,0|0,0,2]=4 9164 B12R1.267 CCCOCc1ccccc1Br 7a_100000756307_100000210303 [0,2,0,0,0,0|0,0,2]=4 9165 B12R1.267 CCCOCc1ccccc1C 34a_100000210258_100000211839 [0,2,0,0,0,0|0,0,2]=4 9166 B12R1.267 CCCOCc1ccccc1C 34a_100000698903_100000210303 [0,2,0,0,0,0|0,0,2]=4 9167 B12R1.267 CCCOCc1ccccc1C 7a_100000698903_100000210303 [0,2,0,0,0,0|0,0,2]=4 9168 B12R1.267 CCCOCc1ccccc1Cl 34a_100000210258_100000187162 [0,2,0,0,0,0|0,0,2]=4 9169 B12R1.267 CCCOCc1ccccc1Cl 34a_100000210847_100000210303 [0,2,0,0,0,0|0,0,2]=4 9170 B12R1.267 CCCOCc1ccccc1Cl 7a_100000210847_100000210303 [0,2,0,0,0,0|0,0,2]=4 9171 B12R1.267 CCCOCc1ccccc1F 34a_100000210258_100000211605 [0,2,0,0,0,0|0,0,2]=4 9172 B12R1.267 CCCOCc1ccccc1F 34a_100000211962_100000210303 [0,2,0,0,0,0|0,0,2]=4 9173 B12R1.267 CCCOCc1ccccc1F 7a_100000211962_100000210303 [0,2,0,0,0,0|0,0,2]=4 9174 B12R1.267 CCCOCc1ccccc1I 34a_100000187465_100000210303 [0,2,0,0,0,0|0,0,2]=4 9175 B12R1.267 CCCOCc1ccccc1I 34a_100000210258_100011215278 [0,2,0,0,0,0|0,0,2]=4 9176 B12R1.267 CCCOCc1ccccc1I 7a_100000187465_100000210303 [0,2,0,0,0,0|0,0,2]=4 9177 B12R1.267 CCCOCc1ccccc1N 34a_100000212039_100000210303 [0,2,0,0,0,0|0,0,2]=4 9178 B12R1.267 CNCCOc1ccccc1Br 2230a_100000744007_200000210301 [0,2,0,0,0,0|0,0,2]=4 9179 B12R1.267 CNCCOc1ccccc1Br 2230a_106832991635_100000695877 [0,2,0,0,0,0|0,0,2]=4 9180 B12R1.267 CNCCOc1ccccc1Br 34a_100000744007_200000210301 [0,2,0,0,0,0|0,0,2]=4 9181 B12R1.267 CNCCOc1ccccc1Br 34a_100102657272_100000695877 [0,2,0,0,0,0|0,0,2]=4 9182 B12R1.267 CNCCOc1ccccc1Br 7a_106832991635_100000695877 [0,2,0,0,0,0|0,0,2]=4 9183 B12R1.267 CNCCOc1ccccc1C 2230a_100000743344_200000210301 [0,2,0,0,0,0|0,0,2]=4 9184 B12R1.267 CNCCOc1ccccc1C 2230a_106832991635_100000184434 [0,2,0,0,0,0|0,0,2]=4 9185 B12R1.267 CNCCOc1ccccc1C 34a_100000743344_200000210301 [0,2,0,0,0,0|0,0,2]=4 9186 B12R1.267 CNCCOc1ccccc1C 34a_100102657272_100000184434 [0,2,0,0,0,0|0,0,2]=4 9187 B12R1.267 CNCCOc1ccccc1C 7a_106832991635_100000184434 [0,2,0,0,0,0|0,0,2]=4 9188 B12R1.267 CNCCOc1ccccc1Cl 2230a_100000174932_200000210301 [0,2,0,0,0,0|0,0,2]=4 9189 B12R1.267 CNCCOc1ccccc1Cl 34a_100000174932_200000210301 [0,2,0,0,0,0|0,0,2]=4 9190 B12R1.267 CNCCOc1ccccc1F 2230a_100000683764_200000210301 [0,2,0,0,0,0|0,0,2]=4 9191 B12R1.267 CNCCOc1ccccc1F 2230a_106832991635_100000183290 [0,2,0,0,0,0|0,0,2]=4 9192 B12R1.267 CNCCOc1ccccc1F 34a_100000683764_200000210301 [0,2,0,0,0,0|0,0,2]=4 9193 B12R1.267 CNCCOc1ccccc1F 34a_100102657272_100000183290 [0,2,0,0,0,0|0,0,2]=4 9194 B12R1.267 CNCCOc1ccccc1F 7a_106832991635_100000183290 [0,2,0,0,0,0|0,0,2]=4 9195 B12R1.267 COCCOc1ccccc1Br 34a_100000181306_100011201679 [0,2,0,0,0,0|0,0,2]=4 9196 B12R1.267 COCCOc1ccccc1Br 34a_100000230753_200000210301 [0,2,0,0,0,0|0,0,2]=4 9197 B12R1.267 COCCOc1ccccc1Br 34a_100138415774_100000695877 [0,2,0,0,0,0|0,0,2]=4 9198 B12R1.267 COCCOc1ccccc1Br 7a_100000181306_100000233755 [0,2,0,0,0,0|0,0,2]=4 9199 B12R1.267 COCCOc1ccccc1Br 7a_100000230753_200000210301 [0,2,0,0,0,0|0,0,2]=4 9200 B12R1.267 COCCOc1ccccc1C 34a_100000210338_100011201679 [0,2,0,0,0,0|0,0,2]=4 9201 B12R1.267 COCCOc1ccccc1C 34a_100138415774_100000184434 [0,2,0,0,0,0|0,0,2]=4 9202 B12R1.267 COCCOc1ccccc1C 7a_100000210338_100000233755 [0,2,0,0,0,0|0,0,2]=4 9203 B12R1.267 COCCOc1ccccc1Cl 34a_100000210172_100011201679 [0,2,0,0,0,0|0,0,2]=4 9204 B12R1.267 COCCOc1ccccc1Cl 34a_200000230518_200000210301 [0,2,0,0,0,0|0,0,2]=4 9205 B12R1.267 COCCOc1ccccc1Cl 7a_100000210172_100000233755 [0,2,0,0,0,0|0,0,2]=4 9206 B12R1.267 COCCOc1ccccc1Cl 7a_200000230518_200000210301 [0,2,0,0,0,0|0,0,2]=4 9207 B12R1.267 COCCOc1ccccc1F 34a_100000210171_100011201679 [0,2,0,0,0,0|0,0,2]=4 9208 B12R1.267 COCCOc1ccccc1F 34a_100000756447_200000210301 [0,2,0,0,0,0|0,0,2]=4 9209 B12R1.267 COCCOc1ccccc1F 34a_100138415774_100000183290 [0,2,0,0,0,0|0,0,2]=4 9210 B12R1.267 COCCOc1ccccc1F 7a_100000210171_100000233755 [0,2,0,0,0,0|0,0,2]=4 9211 B12R1.267 COCCOc1ccccc1F 7a_100000756447_200000210301 [0,2,0,0,0,0|0,0,2]=4 9212 B12R1.267 COCCOc1ccccc1I 34a_100000739446_100011201679 [0,2,0,0,0,0|0,0,2]=4 9213 B12R1.267 COCCOc1ccccc1I 7a_100000739446_100000233755 [0,2,0,0,0,0|0,0,2]=4 9214 B12R1.267 COCCOc1ccccc1N 34a_100000185747_100011201679 [0,2,0,0,0,0|0,0,2]=4 9215 B12R1.267 COCCOc1ccccc1N 34a_100132302172_200000210301 [0,2,0,0,0,0|0,0,2]=4 9216 B12R1.267 COCCOc1ccccc1N 7a_100000185747_100000233755 [0,2,0,0,0,0|0,0,2]=4 9217 B12R1.267 COCCOc1ccccc1O 271570a_203496583355_100000234100 [0,2,0,0,0,0|0,0,2]=4 9218 B12R1.267 CSCCOc1ccccc1Br 34a_100000181306_100000212216 [0,2,0,0,0,0|0,0,2]=4 9219 B12R1.267 CSCCOc1ccccc1Br 62a_100000695877_200000210301 [0,2,0,0,0,0|0,0,2]=4 9220 B12R1.267 CSCCOc1ccccc1Br 62a_200000210301_100000695877 [0,2,0,0,0,0|0,0,2]=4 9221 B12R1.267 CSCCOc1ccccc1Br 7a_100000181306_100000212216 [0,2,0,0,0,0|0,0,2]=4 9222 B12R1.267 CSCCOc1ccccc1C 34a_100000210338_100000212216 [0,2,0,0,0,0|0,0,2]=4 9223 B12R1.267 CSCCOc1ccccc1C 62a_100000184434_200000210301 [0,2,0,0,0,0|0,0,2]=4 9224 B12R1.267 CSCCOc1ccccc1C 62a_200000210301_100000184434 [0,2,0,0,0,0|0,0,2]=4 9225 B12R1.267 CSCCOc1ccccc1C 7a_100000210338_100000212216 [0,2,0,0,0,0|0,0,2]=4 9226 B12R1.267 CSCCOc1ccccc1Cl 34a_100000210172_100000212216 [0,2,0,0,0,0|0,0,2]=4 9227 B12R1.267 CSCCOc1ccccc1Cl 7a_100000210172_100000212216 [0,2,0,0,0,0|0,0,2]=4 9228 B12R1.267 CSCCOc1ccccc1F 34a_100000210171_100000212216 [0,2,0,0,0,0|0,0,2]=4 9229 B12R1.267 CSCCOc1ccccc1F 62a_100000183290_200000210301 [0,2,0,0,0,0|0,0,2]=4 9230 B12R1.267 CSCCOc1ccccc1F 62a_200000210301_100000183290 [0,2,0,0,0,0|0,0,2]=4 9231 B12R1.267 CSCCOc1ccccc1F 7a_100000210171_100000212216 [0,2,0,0,0,0|0,0,2]=4 9232 B12R1.267 CSCCOc1ccccc1I 34a_100000739446_100000212216 [0,2,0,0,0,0|0,0,2]=4 9233 B12R1.267 CSCCOc1ccccc1I 7a_100000739446_100000212216 [0,2,0,0,0,0|0,0,2]=4 9234 B12R1.267 CSCCOc1ccccc1N 34a_100000185747_100000212216 [0,2,0,0,0,0|0,0,2]=4 9235 B12R1.267 CSCCOc1ccccc1N 7a_100000185747_100000212216 [0,2,0,0,0,0|0,0,2]=4 9236 B12R1.267 CSCOCc1ccccc1Br 34a_100000756307_100011218213 [0,2,0,0,0,0|1,0,1]=4 9237 B12R1.267 CSCOCc1ccccc1C 34a_100000698903_100011218213 [0,2,0,0,0,0|1,0,1]=4 9238 B12R1.267 CSCOCc1ccccc1Cl 34a_100000210847_100011218213 [0,2,0,0,0,0|1,0,1]=4 9239 B12R1.267 CSCOCc1ccccc1F 34a_100000211962_100011218213 [0,2,0,0,0,0|1,0,1]=4 9240 B12R1.267 CSCOCc1ccccc1I 34a_100000187465_100011218213 [0,2,0,0,0,0|1,0,1]=4 9241 B12R1.267 CSCOCc1ccccc1N 34a_100000212039_100011218213 [0,2,0,0,0,0|1,0,1]=4 9242 B12R1.267 Cc1ccccc1CNCC=O 34a_100000174972_200009817547 [0,2,0,0,0,0|2,0,0]=4 9243 B12R1.267 Cc1ccccc1COCC#N 7a_100000698903_100011215382 [0,2,0,0,0,0|1,0,1]=4 9244 B12R1.267 Cc1ccccc1COCC=O 34a_100000698903_200009817547 [0,2,0,0,0,0|1,0,0]=3 9245 B12R1.267 Cc1ccccc1COCC=O 7a_100000698903_200015260668 [0,2,0,0,0,0|1,0,0]=3 9246 B12R1.267 Cc1ccccc1COCCBr 34a_100000211926_100000211839 [0,2,0,0,0,0|1,0,1]=4 9247 B12R1.267 Cc1ccccc1COCCF 34a_100000698903_100011217306 [0,2,0,0,0,0|1,0,1]=4 9248 B12R1.267 Cc1ccccc1COCCF 7a_100000698903_100011217306 [0,2,0,0,0,0|1,0,1]=4 9249 B12R1.267 Cc1ccccc1COCCN 34a_100000210304_100000211839 [0,2,0,0,0,0|1,0,1]=4 9250 B12R1.267 Cc1ccccc1COCCO 34a_100000698903_100000211926 [0,2,0,0,0,0|1,0,1]=4 9251 B12R1.267 Cc1ccccc1COCCO 7a_100000698903_100000211926 [0,2,0,0,0,0|1,0,1]=4 9252 B12R1.267 Cc1ccccc1CSCC=O 62a_100000211839_200015260668 [0,2,0,0,0,0|1,1,0]=4 9253 B12R1.267 Cc1ccccc1CSCC=O 62a_200015260668_100000211839 [0,2,0,0,0,0|1,1,0]=4 9254 B12R1.267 Cc1ccccc1OCCC#N 7a_100000210338_100000184422 [0,2,0,0,0,0|0,0,2]=4 9255 B12R1.267 Cc1ccccc1OCCCF 34a_100000210338_100011934791 [0,2,0,0,0,0|0,0,2]=4 9256 B12R1.267 Cc1ccccc1OCCCF 7a_100000210338_100011934791 [0,2,0,0,0,0|0,0,2]=4 9257 B12R1.267 Cc1ccccc1OCCCO 34a_100000210338_100000230001 [0,2,0,0,0,0|0,0,2]=4 9258 B12R1.267 Cc1ccccc1OCCCO 7a_100000210338_100011215043 [0,2,0,0,0,0|0,0,2]=4 9259 B12R1.267 Cc1ccccc1OCCN[13CH3] 2230a_100000743344_200025704644 [0,2,0,0,0,0|0,0,2]=4 9260 B12R1.267 Cc1ccccc1OCCN[13CH3] 34a_100000743344_200025704644 [0,2,0,0,0,0|0,0,2]=4 9261 B12R1.267 Cc1ccccc1OCCS[13CH3] 62a_100000184434_200025704644 [0,2,0,0,0,0|0,0,2]=4 9262 B12R1.267 Cc1ccccc1OCCS[13CH3] 62a_200025704644_100000184434 [0,2,0,0,0,0|0,0,2]=4 9263 B12R1.267 Cc1cccnc1COCC=O 34a_100000698912_200009817547 [0,2,0,0,0,0|2,0,0]=4 9264 B12R1.267 Cc1ccncc1COCC=O 34a_100011996381_200009817547 [0,2,0,0,0,0|2,0,0]=4 9265 B12R1.267 Cc1cnccc1COCC=O 34a_100011997032_200009817547 [0,2,0,0,0,0|2,0,0]=4 9266 B12R1.267 Cc1ncccc1COCC=O 34a_100000729262_200009817547 [0,2,0,0,0,0|2,0,0]=4 9267 B12R1.267 Cc1ncccc1COCC=O 7a_100000729262_200015260668 [0,2,0,0,0,0|2,0,0]=4 9268 B12R1.267 Clc1ccccc1COCCBr 34a_100000211926_100000187162 [0,2,0,0,0,0|1,0,1]=4 9269 B12R1.267 FCCCOc1ccccc1Br 34a_100000181306_100011934791 [0,2,0,0,0,0|0,0,2]=4 9270 B12R1.267 FCCCOc1ccccc1Br 7a_100000181306_100011934791 [0,2,0,0,0,0|0,0,2]=4 9271 B12R1.267 FCCCOc1ccccc1Cl 34a_100000210172_100011934791 [0,2,0,0,0,0|0,0,2]=4 9272 B12R1.267 FCCCOc1ccccc1Cl 7a_100000210172_100011934791 [0,2,0,0,0,0|0,0,2]=4 9273 B12R1.267 FCCCOc1ccccc1F 34a_100000210171_100011934791 [0,2,0,0,0,0|0,0,2]=4 9274 B12R1.267 FCCCOc1ccccc1F 7a_100000210171_100011934791 [0,2,0,0,0,0|0,0,2]=4 9275 B12R1.267 FCCCOc1ccccc1I 34a_100000739446_100011934791 [0,2,0,0,0,0|0,0,2]=4 9276 B12R1.267 FCCCOc1ccccc1I 7a_100000739446_100011934791 [0,2,0,0,0,0|0,0,2]=4 9277 B12R1.267 FCCOCc1ccccc1Br 34a_100000756307_100011217306 [0,2,0,0,0,0|1,0,1]=4 9278 B12R1.267 FCCOCc1ccccc1Br 7a_100000756307_100011217306 [0,2,0,0,0,0|1,0,1]=4 9279 B12R1.267 FCCOCc1ccccc1Cl 34a_100000210847_100011217306 [0,2,0,0,0,0|1,0,1]=4 9280 B12R1.267 FCCOCc1ccccc1Cl 7a_100000210847_100011217306 [0,2,0,0,0,0|1,0,1]=4 9281 B12R1.267 FCCOCc1ccccc1F 34a_100000211962_100011217306 [0,2,0,0,0,0|1,0,1]=4 9282 B12R1.267 FCCOCc1ccccc1F 7a_100000211962_100011217306 [0,2,0,0,0,0|1,0,1]=4 9283 B12R1.267 FCCOCc1ccccc1I 34a_100000187465_100011217306 [0,2,0,0,0,0|1,0,1]=4 9284 B12R1.267 FCCOCc1ccccc1I 7a_100000187465_100011217306 [0,2,0,0,0,0|1,0,1]=4 9285 B12R1.267 Fc1ccccc1COCCBr 34a_100000211926_100000211605 [0,2,0,0,0,0|1,0,1]=4 9286 B12R1.267 N#CCCOc1ccccc1Br 7a_100000181306_100000184422 [0,2,0,0,0,0|0,0,2]=4 9287 B12R1.267 N#CCCOc1ccccc1Cl 7a_100000210172_100000184422 [0,2,0,0,0,0|0,0,2]=4 9288 B12R1.267 N#CCCOc1ccccc1F 7a_100000210171_100000184422 [0,2,0,0,0,0|0,0,2]=4 9289 B12R1.267 N#CCCOc1ccccc1I 7a_100000739446_100000184422 [0,2,0,0,0,0|0,0,2]=4 9290 B12R1.267 N#CCCOc1ccccc1N 7a_100000185747_100000184422 [0,2,0,0,0,0|0,0,2]=4 9291 B12R1.267 N#CCOCc1ccccc1Br 7a_100000756307_100011215382 [0,2,0,0,0,0|1,0,1]=4 9292 B12R1.267 N#CCOCc1ccccc1Cl 7a_100000210847_100011215382 [0,2,0,0,0,0|1,0,1]=4 9293 B12R1.267 N#CCOCc1ccccc1F 7a_100000211962_100011215382 [0,2,0,0,0,0|1,0,1]=4 9294 B12R1.267 N#CCOCc1ccccc1I 7a_100000187465_100011215382 [0,2,0,0,0,0|1,0,1]=4 9295 B12R1.267 NCCOCc1ccccc1Br 34a_100000210304_100000184730 [0,2,0,0,0,0|1,0,1]=4 9296 B12R1.267 NCCOCc1ccccc1Cl 34a_100000210304_100000187162 [0,2,0,0,0,0|1,0,1]=4 9297 B12R1.267 NCCOCc1ccccc1F 34a_100000210304_100000211605 [0,2,0,0,0,0|1,0,1]=4 9298 B12R1.267 NCCOCc1ccccc1I 34a_100000210304_100011215278 [0,2,0,0,0,0|1,0,1]=4 9299 B12R1.267 Nc1ccccc1COCC=O 34a_100000212039_200009817547 [0,2,0,0,0,0|1,0,0]=3 9300 B12R1.267 Nc1ccccc1COCCF 34a_100000212039_100011217306 [0,2,0,0,0,0|1,0,1]=4 9301 B12R1.267 Nc1ccccc1COCCO 34a_100000212039_100000211926 [0,2,0,0,0,0|1,0,1]=4 9302 B12R1.267 Nc1ccccc1OCCCF 34a_100000185747_100011934791 [0,2,0,0,0,0|0,0,2]=4 9303 B12R1.267 Nc1ccccc1OCCCF 7a_100000185747_100011934791 [0,2,0,0,0,0|0,0,2]=4 9304 B12R1.267 Nc1ccccc1OCCCO 34a_100000185747_100000230001 [0,2,0,0,0,0|0,0,2]=4 9305 B12R1.267 Nc1ccccc1OCCCO 7a_100000185747_100011215043 [0,2,0,0,0,0|0,0,2]=4 9306 B12R1.267 Nc1cccnc1COCC=O 34a_114873767017_200009817547 [0,2,0,0,0,0|2,0,0]=4 9307 B12R1.267 O=CCNCc1ccccc1Br 2230a_100000689332_200015260668 [0,2,0,0,0,0|2,0,0]=4 9308 B12R1.267 O=CCNCc1ccccc1Br 34a_100000689332_200009817547 [0,2,0,0,0,0|2,0,0]=4 9309 B12R1.267 O=CCNCc1ccccc1Cl 2230a_100000174879_200015260668 [0,2,0,0,0,0|2,0,0]=4 9310 B12R1.267 O=CCNCc1ccccc1Cl 34a_100000174879_200009817547 [0,2,0,0,0,0|2,0,0]=4 9311 B12R1.267 O=CCNCc1ccccc1F 34a_100000174869_200009817547 [0,2,0,0,0,0|2,0,0]=4 9312 B12R1.267 O=CCNCc1ccccc1O 34a_100000185550_200009817547 [0,2,0,0,0,0|2,0,0]=4 9313 B12R1.267 O=CCOCc1ccccc1Br 34a_100000756307_200009817547 [0,2,0,0,0,0|1,0,0]=3 9314 B12R1.267 O=CCOCc1ccccc1Br 7a_100000756307_200015260668 [0,2,0,0,0,0|1,0,0]=3 9315 B12R1.267 O=CCOCc1ccccc1Cl 34a_100000210847_200009817547 [0,2,0,0,0,0|1,0,0]=3 9316 B12R1.267 O=CCOCc1ccccc1Cl 7a_100000210847_200015260668 [0,2,0,0,0,0|1,0,0]=3 9317 B12R1.267 O=CCOCc1ccccc1F 34a_100000211962_200009817547 [0,2,0,0,0,0|1,0,0]=3 9318 B12R1.267 O=CCOCc1ccccc1F 7a_100000211962_200015260668 [0,2,0,0,0,0|1,0,0]=3 9319 B12R1.267 O=CCOCc1ccccc1I 34a_100000187465_200009817547 [0,2,0,0,0,0|1,0,0]=3 9320 B12R1.267 O=CCOCc1ccccc1I 7a_100000187465_200015260668 [0,2,0,0,0,0|1,0,0]=3 9321 B12R1.267 O=CCOCc1cccnc1Br 34a_100000719692_200009817547 [0,2,0,0,0,0|2,0,0]=4 9322 B12R1.267 O=CCOCc1cccnc1Br 7a_100000719692_200015260668 [0,2,0,0,0,0|2,0,0]=4 9323 B12R1.267 O=CCOCc1cccnc1Cl 34a_100000748726_200009817547 [0,2,0,0,0,0|2,0,0]=4 9324 B12R1.267 O=CCOCc1cccnc1Cl 7a_100000748726_200015260668 [0,2,0,0,0,0|2,0,0]=4 9325 B12R1.267 O=CCOCc1cccnc1F 34a_100000079888_200009817547 [0,2,0,0,0,0|2,0,0]=4 9326 B12R1.267 O=CCOCc1cccnc1F 7a_100000079888_200015260668 [0,2,0,0,0,0|2,0,0]=4 9327 B12R1.267 O=CCOCc1ccncc1F 34a_100012172863_200009817547 [0,2,0,0,0,0|2,0,0]=4 9328 B12R1.267 O=CCOCc1cnccc1Cl 34a_100000117392_200009817547 [0,2,0,0,0,0|2,0,0]=4 9329 B12R1.267 O=CCOCc1ncccc1Br 34a_100011996772_200009817547 [0,2,0,0,0,0|2,0,0]=4 9330 B12R1.267 O=CCOCc1ncccc1Cl 34a_100012002383_200009817547 [0,2,0,0,0,0|2,0,0]=4 9331 B12R1.267 O=CCOCc1ncccc1F 34a_100011934865_200009817547 [0,2,0,0,0,0|2,0,0]=4 9332 B12R1.267 O=CCSCc1ccccc1Br 62a_100000184730_200015260668 [0,2,0,0,0,0|1,1,0]=4 9333 B12R1.267 O=CCSCc1ccccc1Br 62a_200015260668_100000184730 [0,2,0,0,0,0|1,1,0]=4 9334 B12R1.267 O=CCSCc1ccccc1Cl 62a_100000187162_200015260668 [0,2,0,0,0,0|1,1,0]=4 9335 B12R1.267 O=CCSCc1ccccc1Cl 62a_200015260668_100000187162 [0,2,0,0,0,0|1,1,0]=4 9336 B12R1.267 O=CCSCc1ccccc1F 62a_100000211605_200015260668 [0,2,0,0,0,0|1,1,0]=4 9337 B12R1.267 O=CCSCc1ccccc1F 62a_200015260668_100000211605 [0,2,0,0,0,0|1,1,0]=4 9338 B12R1.267 O=CCSCc1ccccc1I 62a_100011216222_200015260668 [0,2,0,0,0,0|1,1,0]=4 9339 B12R1.267 O=CCSCc1ccccc1I 62a_200015260668_100011216222 [0,2,0,0,0,0|1,1,0]=4 9340 B12R1.267 OCCCOc1ccccc1Br 34a_100000181306_100000230001 [0,2,0,0,0,0|0,0,2]=4 9341 B12R1.267 OCCCOc1ccccc1Br 7a_100000181306_100011215043 [0,2,0,0,0,0|0,0,2]=4 9342 B12R1.267 OCCCOc1ccccc1Cl 34a_100000210172_100000230001 [0,2,0,0,0,0|0,0,2]=4 9343 B12R1.267 OCCCOc1ccccc1Cl 7a_100000210172_100011215043 [0,2,0,0,0,0|0,0,2]=4 9344 B12R1.267 OCCCOc1ccccc1F 34a_100000210171_100000230001 [0,2,0,0,0,0|0,0,2]=4 9345 B12R1.267 OCCCOc1ccccc1F 7a_100000210171_100011215043 [0,2,0,0,0,0|0,0,2]=4 9346 B12R1.267 OCCCOc1ccccc1I 34a_100000739446_100000230001 [0,2,0,0,0,0|0,0,2]=4 9347 B12R1.267 OCCCOc1ccccc1I 7a_100000739446_100011215043 [0,2,0,0,0,0|0,0,2]=4 9348 B12R1.267 OCCOCc1ccccc1Br 34a_100000756307_100000211926 [0,2,0,0,0,0|1,0,1]=4 9349 B12R1.267 OCCOCc1ccccc1Br 7a_100000756307_100000211926 [0,2,0,0,0,0|1,0,1]=4 9350 B12R1.267 OCCOCc1ccccc1Cl 34a_100000210847_100000211926 [0,2,0,0,0,0|1,0,1]=4 9351 B12R1.267 OCCOCc1ccccc1Cl 7a_100000210847_100000211926 [0,2,0,0,0,0|1,0,1]=4 9352 B12R1.267 OCCOCc1ccccc1F 34a_100000211962_100000211926 [0,2,0,0,0,0|1,0,1]=4 9353 B12R1.267 OCCOCc1ccccc1F 7a_100000211962_100000211926 [0,2,0,0,0,0|1,0,1]=4 9354 B12R1.267 OCCOCc1ccccc1I 34a_100000187465_100000211926 [0,2,0,0,0,0|1,0,1]=4 9355 B12R1.267 OCCOCc1ccccc1I 7a_100000187465_100000211926 [0,2,0,0,0,0|1,0,1]=4 9356 B12R1.267 [13CH3]NCCOc1ccccc1Br 2230a_100000744007_200025704644 [0,2,0,0,0,0|0,0,2]=4 9357 B12R1.267 [13CH3]NCCOc1ccccc1Br 34a_100000744007_200025704644 [0,2,0,0,0,0|0,0,2]=4 9358 B12R1.267 [13CH3]NCCOc1ccccc1Cl 2230a_100000174932_200025704644 [0,2,0,0,0,0|0,0,2]=4 9359 B12R1.267 [13CH3]NCCOc1ccccc1Cl 34a_100000174932_200025704644 [0,2,0,0,0,0|0,0,2]=4 9360 B12R1.267 [13CH3]NCCOc1ccccc1F 2230a_100000683764_200025704644 [0,2,0,0,0,0|0,0,2]=4 9361 B12R1.267 [13CH3]NCCOc1ccccc1F 34a_100000683764_200025704644 [0,2,0,0,0,0|0,0,2]=4 9362 B12R1.267 [13CH3]OCCOc1ccccc1Br 34a_100000230753_200025704644 [0,2,0,0,0,0|0,0,2]=4 9363 B12R1.267 [13CH3]OCCOc1ccccc1Br 7a_100000230753_200025704644 [0,2,0,0,0,0|0,0,2]=4 9364 B12R1.267 [13CH3]OCCOc1ccccc1Cl 34a_200000230518_200025704644 [0,2,0,0,0,0|0,0,2]=4 9365 B12R1.267 [13CH3]OCCOc1ccccc1Cl 7a_200000230518_200025704644 [0,2,0,0,0,0|0,0,2]=4 9366 B12R1.267 [13CH3]OCCOc1ccccc1F 34a_100000756447_200025704644 [0,2,0,0,0,0|0,0,2]=4 9367 B12R1.267 [13CH3]OCCOc1ccccc1F 7a_100000756447_200025704644 [0,2,0,0,0,0|0,0,2]=4 9368 B12R1.267 [13CH3]OCCOc1ccccc1N 34a_100132302172_200025704644 [0,2,0,0,0,0|0,0,2]=4 9369 B12R1.267 [13CH3]SCCOc1ccccc1Br 62a_100000695877_200025704644 [0,2,0,0,0,0|0,0,2]=4 9370 B12R1.267 [13CH3]SCCOc1ccccc1Br 62a_200025704644_100000695877 [0,2,0,0,0,0|0,0,2]=4 9371 B12R1.267 [13CH3]SCCOc1ccccc1F 62a_100000183290_200025704644 [0,2,0,0,0,0|0,0,2]=4 9372 B12R1.267 [13CH3]SCCOc1ccccc1F 62a_200025704644_100000183290 [0,2,0,0,0,0|0,0,2]=4 9373 B12R1.371 C#CC(C)Oc1ccccc1Br 34a_100000181306_200000035995 [0,2,0,0,0,0|0,0,2]=4 9374 B12R1.371 C#CC(C)Oc1ccccc1C 34a_100000210338_200000035995 [0,2,0,0,0,0|0,0,2]=4 9375 B12R1.371 C#CC(C)Oc1ccccc1Cl 34a_100000210172_200000035995 [0,2,0,0,0,0|0,0,2]=4 9376 B12R1.371 C#CC(C)Oc1ccccc1F 34a_100000210171_200000035995 [0,2,0,0,0,0|0,0,2]=4 9377 B12R1.371 C#CC(C)Oc1ccccc1I 34a_100000739446_200000035995 [0,2,0,0,0,0|0,0,2]=4 9378 B12R1.371 C#CC(C)Oc1ccccc1N 34a_100000185747_200000035995 [0,2,0,0,0,0|0,0,2]=4 9379 B12R1.371 C=CC(=O)Cc1ccccc1Br 1458a_100000185746_100000184730 [0,2,0,0,0,0|1,0,1]=4 9380 B12R1.371 C=CC(=O)Cc1ccccc1C 1458a_100000185746_100000211839 [0,2,0,0,0,0|1,0,1]=4 9381 B12R1.371 C=CC(=O)Cc1ccccc1Cl 1458a_100000185746_100000187162 [0,2,0,0,0,0|1,0,1]=4 9382 B12R1.371 C=CC(=O)Cc1ccccc1F 1458a_100000185746_100000187165 [0,2,0,0,0,0|1,0,1]=4 9383 B12R1.371 C=CC(=O)Cc1ccccc1I 1458a_100000185746_100011216222 [0,2,0,0,0,0|1,0,1]=4 9384 B12R1.371 C=CC(=O)Nc1ccccc1Br 1626a_100000210017_100000185746 [0,2,0,0,0,0|1,0,1]=4 9385 B12R1.371 C=CC(=O)Nc1ccccc1C 1626a_100015192222_100000185746 [0,2,0,0,0,0|1,0,1]=4 9386 B12R1.371 C=CC(=O)Nc1ccccc1C 22a_100015192222_100000185746 [0,2,0,0,0,0|1,0,1]=4 9387 B12R1.371 C=CC(=O)Nc1ccccc1Cl 1626a_100000185783_100000185746 [0,2,0,0,0,0|1,0,1]=4 9388 B12R1.371 C=CC(=O)Nc1ccccc1Cl 22a_100000185783_100000185746 [0,2,0,0,0,0|1,0,1]=4 9389 B12R1.371 C=CC(=O)Nc1ccccc1F 1626a_100000210422_100000185746 [0,2,0,0,0,0|1,0,1]=4 9390 B12R1.371 C=CC(=O)Nc1ccccc1F 22a_100000210422_100000185746 [0,2,0,0,0,0|1,0,1]=4 9391 B12R1.371 C=CC(=O)Nc1ccccc1I 1626a_100000210053_100000185746 [0,2,0,0,0,0|1,0,1]=4 9392 B12R1.371 C=CC(=O)Nc1ccccc1O 22a_100000185747_100000185746 [0,2,0,0,0,0|1,0,1]=4 9393 B12R1.371 C=CC(C)Sc1c[nH]ccc1=O 62a_100011215867_100009998708 [0,2,0,0,0,0|1,1,0]=4 9394 B12R1.371 C=CC(C)Sc1c[nH]ccc1=S 62a_100011215867_200012280681 [0,2,0,0,0,0|1,1,0]=4 9395 B12R1.371 C=CC(C)Sc1cccc[n+]1C 62a_100011215867_100000212160 [0,2,0,0,0,0|1,1,0]=4 9396 B12R1.371 C=CC(C)Sc1cccc[n+]1[O-] 62a_100011215867_200000042595 [0,2,0,0,0,0|1,1,0]=4 9397 B12R1.371 C=CC(C)Sc1ccccc1Br 62a_100011215867_100000695589 [0,2,0,0,0,0|0,1,0]=3 9398 B12R1.371 C=CC(C)Sc1ccccc1C 62a_100011215867_100000210755 [0,2,0,0,0,0|0,1,0]=3 9399 B12R1.371 C=CC(C)Sc1ccccc1Cl 62a_100011215867_100000764095 [0,2,0,0,0,0|0,1,0]=3 9400 B12R1.371 C=CC(C)Sc1ccccc1F 62a_100011215867_100011215700 [0,2,0,0,0,0|0,1,0]=3 9401 B12R1.371 C=CC(C)Sc1ccccc1N 62a_100011215867_100000210017 [0,2,0,0,0,0|0,1,0]=3 9402 B12R1.371 C=CC(C)Sc1ccccc1O 62a_100011215867_100000739446 [0,2,0,0,0,0|0,1,0]=3 9403 B12R1.371 C=CC(C)Sc1cccnc1Br 62a_100011215867_100010202626 [0,2,0,0,0,0|1,1,0]=4 9404 B12R1.371 C=CC(C)Sc1cccnc1C 62a_100011215867_100000751574 [0,2,0,0,0,0|1,1,0]=4 9405 B12R1.371 C=CC(C)Sc1cccnc1Cl 62a_100011215867_100000036424 [0,2,0,0,0,0|1,1,0]=4 9406 B12R1.371 C=CC(C)Sc1cccnc1F 62a_100011215867_100009816115 [0,2,0,0,0,0|1,1,0]=4 9407 B12R1.371 C=CC(C)Sc1cccnc1N 62a_100011215867_100000045569 [0,2,0,0,0,0|1,1,0]=4 9408 B12R1.371 C=CC(C)Sc1cccnc1O 62a_100011215867_100000760158 [0,2,0,0,0,0|1,1,0]=4 9409 B12R1.371 C=CC(C)Sc1ccncc1Br 62a_100011215867_100000726257 [0,2,0,0,0,0|1,1,0]=4 9410 B12R1.371 C=CC(C)Sc1ccncc1C 62a_100011215867_100000765111 [0,2,0,0,0,0|1,1,0]=4 9411 B12R1.371 C=CC(C)Sc1ccncc1Cl 62a_100011215867_100000708259 [0,2,0,0,0,0|1,1,0]=4 9412 B12R1.371 C=CC(C)Sc1ccncc1F 62a_100011215867_100000047030 [0,2,0,0,0,0|1,1,0]=4 9413 B12R1.371 C=CC(C)Sc1ccncc1N 62a_100011215867_100000756074 [0,2,0,0,0,0|1,1,0]=4 9414 B12R1.371 C=CC(C)Sc1ccncc1O 62a_100011215867_100009817591 [0,2,0,0,0,0|1,1,0]=4 9415 B12R1.371 C=CC(C)Sc1cnccc1Br 62a_100011215867_100010138639 [0,2,0,0,0,0|1,1,0]=4 9416 B12R1.371 C=CC(C)Sc1cnccc1C 62a_100011215867_100000761580 [0,2,0,0,0,0|1,1,0]=4 9417 B12R1.371 C=CC(C)Sc1cnccc1Cl 62a_100011215867_100009995489 [0,2,0,0,0,0|1,1,0]=4 9418 B12R1.371 C=CC(C)Sc1cnccc1F 62a_100011215867_100009820683 [0,2,0,0,0,0|1,1,0]=4 9419 B12R1.371 C=CC(C)Sc1cnccc1N 62a_100011215867_100000047001 [0,2,0,0,0,0|1,1,0]=4 9420 B12R1.371 C=CC(C)Sc1ncccc1Br 62a_100011215867_100000696092 [0,2,0,0,0,0|1,1,0]=4 9421 B12R1.371 C=CC(C)Sc1ncccc1C 62a_100011215867_100000751373 [0,2,0,0,0,0|1,1,0]=4 9422 B12R1.371 C=CC(C)Sc1ncccc1Cl 62a_100011215867_100011356963 [0,2,0,0,0,0|1,1,0]=4 9423 B12R1.371 C=CC(C)Sc1ncccc1F 62a_100011215867_100000685392 [0,2,0,0,0,0|1,1,0]=4 9424 B12R1.371 C=CC(C)Sc1ncccc1N 62a_100011215867_100000688686 [0,2,0,0,0,0|1,1,0]=4 9425 B12R1.371 C=CC(C)Sc1ncccc1O 62a_100011215867_100000034122 [0,2,0,0,0,0|1,1,0]=4 9426 B12R1.371 CC(C#N)Oc1ccccc1Br 7a_100000181306_100000703298 [0,2,0,0,0,0|1,0,1]=4 9427 B12R1.371 CC(C#N)Oc1ccccc1Cl 7a_100000210172_100000703298 [0,2,0,0,0,0|1,0,1]=4 9428 B12R1.371 CC(C#N)Oc1ccccc1F 7a_100000210171_100000703298 [0,2,0,0,0,0|1,0,1]=4 9429 B12R1.371 CC(C#N)Oc1ccccc1I 7a_100000739446_100000703298 [0,2,0,0,0,0|1,0,1]=4 9430 B12R1.371 CC(C#N)Oc1ccccc1N 7a_100000185747_100000703298 [0,2,0,0,0,0|1,0,1]=4 9431 B12R1.371 CC(CO)Oc1ccccc1Br 34a_100000181306_100012180447 [0,2,0,0,0,0|1,0,1]=4 9432 B12R1.371 CC(CO)Oc1ccccc1Br 7a_100000181306_100012180447 [0,2,0,0,0,0|1,0,1]=4 9433 B12R1.371 CC(CO)Oc1ccccc1Cl 34a_100000210172_100012180447 [0,2,0,0,0,0|1,0,1]=4 9434 B12R1.371 CC(CO)Oc1ccccc1Cl 7a_100000210172_100012180447 [0,2,0,0,0,0|1,0,1]=4 9435 B12R1.371 CC(CO)Oc1ccccc1F 34a_100000210171_100012180447 [0,2,0,0,0,0|1,0,1]=4 9436 B12R1.371 CC(CO)Oc1ccccc1F 7a_100000210171_100012180447 [0,2,0,0,0,0|1,0,1]=4 9437 B12R1.371 CC(CO)Oc1ccccc1I 34a_100000739446_100012180447 [0,2,0,0,0,0|1,0,1]=4 9438 B12R1.371 CC(CO)Oc1ccccc1I 7a_100000739446_100012180447 [0,2,0,0,0,0|1,0,1]=4 9439 B12R1.371 CC(CO)Oc1ccccc1N 34a_100000185747_100012180447 [0,2,0,0,0,0|1,0,1]=4 9440 B12R1.371 CC(CO)Oc1ccccc1N 7a_100000185747_100012180447 [0,2,0,0,0,0|1,0,1]=4 9441 B12R1.371 CCC(C)Oc1ccccc1Br 34a_100000181306_100011215416 [0,2,0,0,0,0|0,0,2]=4 9442 B12R1.371 CCC(C)Oc1ccccc1Br 7a_100000181306_100000758301 [0,2,0,0,0,0|0,0,2]=4 9443 B12R1.371 CCC(C)Oc1ccccc1C 34a_100000210338_100011215416 [0,2,0,0,0,0|0,0,2]=4 9444 B12R1.371 CCC(C)Oc1ccccc1C 7a_100000210338_100000758301 [0,2,0,0,0,0|0,0,2]=4 9445 B12R1.371 CCC(C)Oc1ccccc1Cl 34a_100000210172_100011215416 [0,2,0,0,0,0|0,0,2]=4 9446 B12R1.371 CCC(C)Oc1ccccc1Cl 7a_100000210172_100000758301 [0,2,0,0,0,0|0,0,2]=4 9447 B12R1.371 CCC(C)Oc1ccccc1F 34a_100000210171_100011215416 [0,2,0,0,0,0|0,0,2]=4 9448 B12R1.371 CCC(C)Oc1ccccc1F 7a_100000210171_100000758301 [0,2,0,0,0,0|0,0,2]=4 9449 B12R1.371 CCC(C)Oc1ccccc1I 34a_100000739446_100011215416 [0,2,0,0,0,0|0,0,2]=4 9450 B12R1.371 CCC(C)Oc1ccccc1I 7a_100000739446_100000758301 [0,2,0,0,0,0|0,0,2]=4 9451 B12R1.371 CCC(C)Oc1ccccc1N 34a_100000185747_100011215416 [0,2,0,0,0,0|0,0,2]=4 9452 B12R1.371 CCC(C)Oc1ccccc1N 7a_100000185747_100000758301 [0,2,0,0,0,0|0,0,2]=4 9453 B12R1.371 Cc1ccccc1OC(C)C#N 7a_100000210338_100000703298 [0,2,0,0,0,0|1,0,1]=4 9454 B12R1.371 Cc1ccccc1OC(C)CO 34a_100000210338_100012180447 [0,2,0,0,0,0|1,0,1]=4 9455 B12R1.371 Cc1ccccc1OC(C)CO 7a_100000210338_100012180447 [0,2,0,0,0,0|1,0,1]=4 9456 B12R1.374 C#CCOc1cc(ccc1Br)Br 34a_100011220040_100000184674 [0,2,0,0,0,0|0,0,2]=4 9457 B12R1.374 C#CCOc1cc(ccc1Br)Br 7a_100011220040_100000038162 [0,2,0,0,0,0|0,0,2]=4 9458 B12R1.374 C#CCOc1cc(ccc1Br)C 34a_100012002257_100000184674 [0,2,0,0,0,0|0,0,2]=4 9459 B12R1.374 C#CCOc1cc(ccc1Br)C 7a_100012002257_100000038162 [0,2,0,0,0,0|0,0,2]=4 9460 B12R1.374 C#CCOc1cc(ccc1Br)Cl 34a_100012339455_100000184674 [0,2,0,0,0,0|0,0,2]=4 9461 B12R1.374 C#CCOc1cc(ccc1Br)Cl 7a_100012339455_100000038162 [0,2,0,0,0,0|0,0,2]=4 9462 B12R1.374 C#CCOc1cc(ccc1Br)F 34a_100000690578_100000184674 [0,2,0,0,0,0|0,0,2]=4 9463 B12R1.374 C#CCOc1cc(ccc1Br)F 7a_100000690578_100000038162 [0,2,0,0,0,0|0,0,2]=4 9464 B12R1.374 C#CCOc1cc(ccc1Br)I 34a_100012356990_100000184674 [0,2,0,0,0,0|0,0,2]=4 9465 B12R1.374 C#CCOc1cc(ccc1Br)I 7a_100012356990_100000038162 [0,2,0,0,0,0|0,0,2]=4 9466 B12R1.374 C#CCOc1cc(ccc1C)Br 34a_100000685420_100000184674 [0,2,0,0,0,0|0,0,2]=4 9467 B12R1.374 C#CCOc1cc(ccc1C)Br 7a_100000685420_100000038162 [0,2,0,0,0,0|0,0,2]=4 9468 B12R1.374 C#CCOc1cc(ccc1C)C 34a_100000210931_100000184674 [0,2,0,0,0,0|0,0,2]=4 9469 B12R1.374 C#CCOc1cc(ccc1C)C 7a_100000210931_100000038162 [0,2,0,0,0,0|0,0,2]=4 9470 B12R1.374 C#CCOc1cc(ccc1C)Cl 34a_100000756515_100000184674 [0,2,0,0,0,0|0,0,2]=4 9471 B12R1.374 C#CCOc1cc(ccc1C)Cl 7a_100000756515_100000038162 [0,2,0,0,0,0|0,0,2]=4 9472 B12R1.374 C#CCOc1cc(ccc1C)F 34a_100000690566_100000184674 [0,2,0,0,0,0|0,0,2]=4 9473 B12R1.374 C#CCOc1cc(ccc1C)F 7a_100000690566_100000038162 [0,2,0,0,0,0|0,0,2]=4 9474 B12R1.374 C#CCOc1cc(ccc1C)I 7a_100000766334_100000038162 [0,2,0,0,0,0|0,0,2]=4 9475 B12R1.374 C#CCOc1cc(ccc1C)N 34a_100000759471_100000184674 [0,2,0,0,0,0|0,0,2]=4 9476 B12R1.374 C#CCOc1cc(ccc1C)N 7a_100000759471_100000038162 [0,2,0,0,0,0|0,0,2]=4 9477 B12R1.374 C#CCOc1cc(ccc1Cl)Br 34a_100000738945_100000184674 [0,2,0,0,0,0|0,0,2]=4 9478 B12R1.374 C#CCOc1cc(ccc1Cl)Br 7a_100000738945_100000038162 [0,2,0,0,0,0|0,0,2]=4 9479 B12R1.374 C#CCOc1cc(ccc1Cl)C 34a_100000211493_100000184674 [0,2,0,0,0,0|0,0,2]=4 9480 B12R1.374 C#CCOc1cc(ccc1Cl)C 7a_100000211493_100000038162 [0,2,0,0,0,0|0,0,2]=4 9481 B12R1.374 C#CCOc1cc(ccc1Cl)Cl 34a_100000211422_100000184674 [0,2,0,0,0,0|0,0,2]=4 9482 B12R1.374 C#CCOc1cc(ccc1Cl)Cl 7a_100000211422_100000038162 [0,2,0,0,0,0|0,0,2]=4 9483 B12R1.374 C#CCOc1cc(ccc1Cl)F 34a_100000692107_100000184674 [0,2,0,0,0,0|0,0,2]=4 9484 B12R1.374 C#CCOc1cc(ccc1Cl)F 7a_100000692107_100000038162 [0,2,0,0,0,0|0,0,2]=4 9485 B12R1.374 C#CCOc1cc(ccc1Cl)I 34a_100011356854_100000184674 [0,2,0,0,0,0|0,0,2]=4 9486 B12R1.374 C#CCOc1cc(ccc1Cl)I 7a_100011356854_100000038162 [0,2,0,0,0,0|0,0,2]=4 9487 B12R1.374 C#CCOc1cc(ccc1Cl)N 34a_100011934209_100000184674 [0,2,0,0,0,0|0,0,2]=4 9488 B12R1.374 C#CCOc1cc(ccc1F)Br 34a_100000686035_100000184674 [0,2,0,0,0,0|0,0,2]=4 9489 B12R1.374 C#CCOc1cc(ccc1F)Br 7a_100000686035_100000038162 [0,2,0,0,0,0|0,0,2]=4 9490 B12R1.374 C#CCOc1cc(ccc1F)C 34a_100000759540_100000184674 [0,2,0,0,0,0|0,0,2]=4 9491 B12R1.374 C#CCOc1cc(ccc1F)C 7a_100000759540_100000038162 [0,2,0,0,0,0|0,0,2]=4 9492 B12R1.374 C#CCOc1cc(ccc1F)Cl 34a_100000757397_100000184674 [0,2,0,0,0,0|0,0,2]=4 9493 B12R1.374 C#CCOc1cc(ccc1F)Cl 7a_100000757397_100000038162 [0,2,0,0,0,0|0,0,2]=4 9494 B12R1.374 C#CCOc1cc(ccc1F)F 34a_100000752141_100000184674 [0,2,0,0,0,0|0,0,2]=4 9495 B12R1.374 C#CCOc1cc(ccc1F)F 7a_100000752141_100000038162 [0,2,0,0,0,0|0,0,2]=4 9496 B12R1.374 C#CCOc1cc(ccc1F)I 34a_100009958187_100000184674 [0,2,0,0,0,0|0,0,2]=4 9497 B12R1.374 C#CCOc1cc(ccc1F)I 7a_100009958187_100000038162 [0,2,0,0,0,0|0,0,2]=4 9498 B12R1.374 C#CCOc1cc(ccc1F)N 34a_100012017398_100000184674 [0,2,0,0,0,0|0,0,2]=4 9499 B12R1.374 C#CCOc1cc(ccc1F)N 7a_100012017398_100000038162 [0,2,0,0,0,0|0,0,2]=4 9500 B12R1.374 C#CCOc1cc(ccc1I)Br 34a_100012344904_100000184674 [0,2,0,0,0,0|0,0,2]=4 9501 B12R1.374 C#CCOc1cc(ccc1I)Br 7a_100012344904_100000038162 [0,2,0,0,0,0|0,0,2]=4 9502 B12R1.374 C#CCOc1cc(ccc1I)Cl 34a_100000050036_100000184674 [0,2,0,0,0,0|0,0,2]=4 9503 B12R1.374 C#CCOc1cc(ccc1I)Cl 7a_100000050036_100000038162 [0,2,0,0,0,0|0,0,2]=4 9504 B12R1.374 C#CCOc1cc(ccc1I)F 34a_100010084537_100000184674 [0,2,0,0,0,0|0,0,2]=4 9505 B12R1.374 C#CCOc1cc(ccc1I)F 7a_100010084537_100000038162 [0,2,0,0,0,0|0,0,2]=4 9506 B12R1.374 C#CCOc1cc(ccc1N)Br 34a_100000739049_100000184674 [0,2,0,0,0,0|0,0,2]=4 9507 B12R1.374 C#CCOc1cc(ccc1N)Br 7a_100000739049_100000038162 [0,2,0,0,0,0|0,0,2]=4 9508 B12R1.374 C#CCOc1cc(ccc1N)C 34a_100000211527_100000184674 [0,2,0,0,0,0|0,0,2]=4 9509 B12R1.374 C#CCOc1cc(ccc1N)C 7a_100000211527_100000038162 [0,2,0,0,0,0|0,0,2]=4 9510 B12R1.374 C#CCOc1cc(ccc1N)Cl 34a_100000185728_100000184674 [0,2,0,0,0,0|0,0,2]=4 9511 B12R1.374 C#CCOc1cc(ccc1N)Cl 7a_100000185728_100000038162 [0,2,0,0,0,0|0,0,2]=4 9512 B12R1.374 C#CCOc1cc(ccc1N)F 34a_100000753323_100000184674 [0,2,0,0,0,0|0,0,2]=4 9513 B12R1.374 C#CCOc1cc(ccc1N)F 7a_100000753323_100000038162 [0,2,0,0,0,0|0,0,2]=4 9514 B12R1.374 C#CCOc1cc(ccc1N)I 34a_100000057187_100000184674 [0,2,0,0,0,0|0,0,2]=4 9515 B12R1.374 C#CCOc1cc(ccc1N)I 7a_100000057187_100000038162 [0,2,0,0,0,0|0,0,2]=4 9516 B12R1.374 C#CCOc1cc(ccc1N)N 34a_100025717382_100000184674 [0,2,0,0,0,0|0,0,2]=4 9517 B12R1.374 C=CCNc1cc(ccc1Br)Br 34a_100000737762_100015514636 [0,2,0,0,0,0|1,0,0]=3 9518 B12R1.374 C=CCNc1cc(ccc1Br)C 34a_100000745044_100015514636 [0,2,0,0,0,0|1,0,0]=3 9519 B12R1.374 C=CCNc1cc(ccc1Br)Cl 34a_100000687073_100015514636 [0,2,0,0,0,0|1,0,0]=3 9520 B12R1.374 C=CCNc1cc(ccc1Br)F 34a_100000687223_100015514636 [0,2,0,0,0,0|1,0,0]=3 9521 B12R1.374 C=CCNc1cc(ccc1Br)O 34a_100011999798_100015514636 [0,2,0,0,0,0|1,0,0]=3 9522 B12R1.374 C=CCNc1cc(ccc1C)Br 34a_100000741167_100015514636 [0,2,0,0,0,0|1,0,0]=3 9523 B12R1.374 C=CCNc1cc(ccc1C)Br 7a_100000741167_100015514636 [0,2,0,0,0,0|1,0,0]=3 9524 B12R1.374 C=CCNc1cc(ccc1C)C 2230a_100000185781_100000210623 [0,2,0,0,0,0|1,0,0]=3 9525 B12R1.374 C=CCNc1cc(ccc1C)C 34a_100000185781_100015514636 [0,2,0,0,0,0|1,0,0]=3 9526 B12R1.374 C=CCNc1cc(ccc1C)C 7a_100000185781_100015514636 [0,2,0,0,0,0|1,0,0]=3 9527 B12R1.374 C=CCNc1cc(ccc1C)Cl 34a_100000211374_100015514636 [0,2,0,0,0,0|1,0,0]=3 9528 B12R1.374 C=CCNc1cc(ccc1C)Cl 7a_100000211374_100015514636 [0,2,0,0,0,0|1,0,0]=3 9529 B12R1.374 C=CCNc1cc(ccc1C)F 34a_100000211107_100015514636 [0,2,0,0,0,0|1,0,0]=3 9530 B12R1.374 C=CCNc1cc(ccc1C)F 7a_100000211107_100015514636 [0,2,0,0,0,0|1,0,0]=3 9531 B12R1.374 C=CCNc1cc(ccc1C)I 7a_100000761890_100015514636 [0,2,0,0,0,0|1,0,0]=3 9532 B12R1.374 C=CCNc1cc(ccc1C)O 34a_100011216113_100015514636 [0,2,0,0,0,0|1,0,0]=3 9533 B12R1.374 C=CCNc1cc(ccc1Cl)Br 34a_100000750497_100015514636 [0,2,0,0,0,0|1,0,0]=3 9534 B12R1.374 C=CCNc1cc(ccc1Cl)C 34a_100011215360_100015514636 [0,2,0,0,0,0|1,0,0]=3 9535 B12R1.374 C=CCNc1cc(ccc1Cl)Cl 34a_100000184485_100015514636 [0,2,0,0,0,0|1,0,0]=3 9536 B12R1.374 C=CCNc1cc(ccc1Cl)F 34a_100000751338_100015514636 [0,2,0,0,0,0|1,0,0]=3 9537 B12R1.374 C=CCNc1cc(ccc1Cl)I 34a_200000761891_100015514636 [0,2,0,0,0,0|1,0,0]=3 9538 B12R1.374 C=CCNc1cc(ccc1Cl)O 34a_100011934297_100015514636 [0,2,0,0,0,0|1,0,0]=3 9539 B12R1.374 C=CCNc1cc(ccc1F)Br 34a_100000740924_100015514636 [0,2,0,0,0,0|1,0,0]=3 9540 B12R1.374 C=CCNc1cc(ccc1F)C 34a_100000211285_100015514636 [0,2,0,0,0,0|1,0,0]=3 9541 B12R1.374 C=CCNc1cc(ccc1F)Cl 34a_100000212115_100015514636 [0,2,0,0,0,0|1,0,0]=3 9542 B12R1.374 C=CCNc1cc(ccc1F)F 34a_100000210742_100015514636 [0,2,0,0,0,0|1,0,0]=3 9543 B12R1.374 C=CCNc1cc(ccc1F)I 34a_100011464823_100015514636 [0,2,0,0,0,0|1,0,0]=3 9544 B12R1.374 C=CCNc1cc(ccc1F)O 34a_100012017239_100015514636 [0,2,0,0,0,0|1,0,0]=3 9545 B12R1.374 C=CCNc1cc(ccc1I)Br 34a_100000743836_100015514636 [0,2,0,0,0,0|1,0,0]=3 9546 B12R1.374 C=CCNc1cc(ccc1I)C 34a_100011216686_100015514636 [0,2,0,0,0,0|1,0,0]=3 9547 B12R1.374 C=CCNc1cc(ccc1I)Cl 34a_100000761886_100015514636 [0,2,0,0,0,0|1,0,0]=3 9548 B12R1.374 C=CCNc1cc(ccc1I)F 34a_100011218093_100015514636 [0,2,0,0,0,0|1,0,0]=3 9549 B12R1.374 C=CCNc1cc(ccc1O)Br 34a_100000752626_100015514636 [0,2,0,0,0,0|1,0,0]=3 9550 B12R1.374 C=CCNc1cc(ccc1O)C 34a_100011215204_100015514636 [0,2,0,0,0,0|1,0,0]=3 9551 B12R1.374 C=CCNc1cc(ccc1O)Cl 34a_100000210500_100015514636 [0,2,0,0,0,0|1,0,0]=3 9552 B12R1.374 C=CCNc1cc(ccc1O)F 34a_100000759472_100015514636 [0,2,0,0,0,0|1,0,0]=3 9553 B12R1.374 C=CCNc1cc(cnc1F)Br 27a_100020586998_100010172738 [0,2,0,0,0,0|2,0,0]=4 9554 B12R1.374 C=CCNc1cc(cnc1F)C 27a_100020586998_100009820679 [0,2,0,0,0,0|2,0,0]=4 9555 B12R1.374 C=CCNc1cc(cnc1F)Cl 27a_100020586998_100010188783 [0,2,0,0,0,0|2,0,0]=4 9556 B12R1.374 C=CCNc1cc(ncc1Br)Br 27a_100020586998_100010171693 [0,2,0,0,0,0|2,0,0]=4 9557 B12R1.374 C=CCNc1cc(ncc1C)F 27a_100020586998_100000049870 [0,2,0,0,0,0|2,0,0]=4 9558 B12R1.374 C=CCNc1cc(ncc1Cl)F 27a_100020586998_100009892587 [0,2,0,0,0,0|2,0,0]=4 9559 B12R1.374 C=CCNc1cc(ncc1F)C 27a_100020586998_100009867690 [0,2,0,0,0,0|2,0,0]=4 9560 B12R1.374 C=CCNc1cc(ncc1F)F 27a_100020586998_100010233071 [0,2,0,0,0,0|2,0,0]=4 9561 B12R1.374 C=CCNc1nc(ccc1F)F 27a_100020586998_100010997973 [0,2,0,0,0,0|2,0,0]=4 9562 B12R1.374 C=CCNc1nc(ccc1N)F 27a_100020586998_100009879877 [0,2,0,0,0,0|2,0,0]=4 9563 B12R1.374 C=CCOc1cc(=O)[nH]cc1Cl 34a_100000069390_100015514636 [0,2,0,0,0,0|1,0,0]=3 9564 B12R1.374 C=CCOc1cc(ccc1Br)Br 34a_100011220040_100015514636 [0,2,0,0,0,0|0,0,0]=2 9565 B12R1.374 C=CCOc1cc(ccc1Br)Br 7a_100011220040_100015514636 [0,2,0,0,0,0|0,0,0]=2 9566 B12R1.374 C=CCOc1cc(ccc1Br)C 34a_100012002257_100015514636 [0,2,0,0,0,0|0,0,0]=2 9567 B12R1.374 C=CCOc1cc(ccc1Br)C 7a_100012002257_100015514636 [0,2,0,0,0,0|0,0,0]=2 9568 B12R1.374 C=CCOc1cc(ccc1Br)Cl 34a_100012339455_100015514636 [0,2,0,0,0,0|0,0,0]=2 9569 B12R1.374 C=CCOc1cc(ccc1Br)Cl 7a_100012339455_100015514636 [0,2,0,0,0,0|0,0,0]=2 9570 B12R1.374 C=CCOc1cc(ccc1Br)F 34a_100000690578_100015514636 [0,2,0,0,0,0|0,0,0]=2 9571 B12R1.374 C=CCOc1cc(ccc1Br)F 7a_100000690578_100015514636 [0,2,0,0,0,0|0,0,0]=2 9572 B12R1.374 C=CCOc1cc(ccc1Br)I 34a_100012356990_100015514636 [0,2,0,0,0,0|0,0,0]=2 9573 B12R1.374 C=CCOc1cc(ccc1Br)I 7a_100012356990_100015514636 [0,2,0,0,0,0|0,0,0]=2 9574 B12R1.374 C=CCOc1cc(ccc1C)Br 34a_100000685420_100015514636 [0,2,0,0,0,0|0,0,0]=2 9575 B12R1.374 C=CCOc1cc(ccc1C)Br 7a_100000685420_100015514636 [0,2,0,0,0,0|0,0,0]=2 9576 B12R1.374 C=CCOc1cc(ccc1C)C 34a_100000210931_100015514636 [0,2,0,0,0,0|0,0,0]=2 9577 B12R1.374 C=CCOc1cc(ccc1C)C 7a_100000210931_100015514636 [0,2,0,0,0,0|0,0,0]=2 9578 B12R1.374 C=CCOc1cc(ccc1C)Cl 34a_100000756515_100015514636 [0,2,0,0,0,0|0,0,0]=2 9579 B12R1.374 C=CCOc1cc(ccc1C)Cl 7a_100000756515_100015514636 [0,2,0,0,0,0|0,0,0]=2 9580 B12R1.374 C=CCOc1cc(ccc1C)F 34a_100000690566_100015514636 [0,2,0,0,0,0|0,0,0]=2 9581 B12R1.374 C=CCOc1cc(ccc1C)F 7a_100000690566_100015514636 [0,2,0,0,0,0|0,0,0]=2 9582 B12R1.374 C=CCOc1cc(ccc1C)I 7a_100000766334_100015514636 [0,2,0,0,0,0|0,0,0]=2 9583 B12R1.374 C=CCOc1cc(ccc1C)N 34a_100000759471_100015514636 [0,2,0,0,0,0|0,0,0]=2 9584 B12R1.374 C=CCOc1cc(ccc1C)N 7a_100000759471_100015514636 [0,2,0,0,0,0|0,0,0]=2 9585 B12R1.374 C=CCOc1cc(ccc1Cl)Br 34a_100000738945_100015514636 [0,2,0,0,0,0|0,0,0]=2 9586 B12R1.374 C=CCOc1cc(ccc1Cl)Br 7a_100000738945_100015514636 [0,2,0,0,0,0|0,0,0]=2 9587 B12R1.374 C=CCOc1cc(ccc1Cl)C 34a_100000211493_100015514636 [0,2,0,0,0,0|0,0,0]=2 9588 B12R1.374 C=CCOc1cc(ccc1Cl)C 7a_100000211493_100015514636 [0,2,0,0,0,0|0,0,0]=2 9589 B12R1.374 C=CCOc1cc(ccc1Cl)Cl 34a_100000211422_100015514636 [0,2,0,0,0,0|0,0,0]=2 9590 B12R1.374 C=CCOc1cc(ccc1Cl)Cl 7a_100000211422_100015514636 [0,2,0,0,0,0|0,0,0]=2 9591 B12R1.374 C=CCOc1cc(ccc1Cl)F 34a_100000692107_100015514636 [0,2,0,0,0,0|0,0,0]=2 9592 B12R1.374 C=CCOc1cc(ccc1Cl)F 7a_100000692107_100015514636 [0,2,0,0,0,0|0,0,0]=2 9593 B12R1.374 C=CCOc1cc(ccc1Cl)I 34a_100011356854_100015514636 [0,2,0,0,0,0|0,0,0]=2 9594 B12R1.374 C=CCOc1cc(ccc1Cl)I 7a_100011356854_100015514636 [0,2,0,0,0,0|0,0,0]=2 9595 B12R1.374 C=CCOc1cc(ccc1Cl)N 34a_100011934209_100015514636 [0,2,0,0,0,0|0,0,0]=2 9596 B12R1.374 C=CCOc1cc(ccc1F)Br 34a_100000686035_100015514636 [0,2,0,0,0,0|0,0,0]=2 9597 B12R1.374 C=CCOc1cc(ccc1F)Br 7a_100000686035_100015514636 [0,2,0,0,0,0|0,0,0]=2 9598 B12R1.374 C=CCOc1cc(ccc1F)C 34a_100000759540_100015514636 [0,2,0,0,0,0|0,0,0]=2 9599 B12R1.374 C=CCOc1cc(ccc1F)C 7a_100000759540_100015514636 [0,2,0,0,0,0|0,0,0]=2 9600 B12R1.374 C=CCOc1cc(ccc1F)Cl 34a_100000757397_100015514636 [0,2,0,0,0,0|0,0,0]=2 9601 B12R1.374 C=CCOc1cc(ccc1F)Cl 7a_100000757397_100015514636 [0,2,0,0,0,0|0,0,0]=2 9602 B12R1.374 C=CCOc1cc(ccc1F)F 34a_100000752141_100015514636 [0,2,0,0,0,0|0,0,0]=2 9603 B12R1.374 C=CCOc1cc(ccc1F)F 7a_100000752141_100015514636 [0,2,0,0,0,0|0,0,0]=2 9604 B12R1.374 C=CCOc1cc(ccc1F)I 34a_100009958187_100015514636 [0,2,0,0,0,0|0,0,0]=2 9605 B12R1.374 C=CCOc1cc(ccc1F)I 7a_100009958187_100015514636 [0,2,0,0,0,0|0,0,0]=2 9606 B12R1.374 C=CCOc1cc(ccc1F)N 34a_100012017398_100015514636 [0,2,0,0,0,0|0,0,0]=2 9607 B12R1.374 C=CCOc1cc(ccc1F)N 7a_100012017398_100015514636 [0,2,0,0,0,0|0,0,0]=2 9608 B12R1.374 C=CCOc1cc(ccc1I)Br 34a_100012344904_100015514636 [0,2,0,0,0,0|0,0,0]=2 9609 B12R1.374 C=CCOc1cc(ccc1I)Br 7a_100012344904_100015514636 [0,2,0,0,0,0|0,0,0]=2 9610 B12R1.374 C=CCOc1cc(ccc1I)Cl 34a_100000050036_100015514636 [0,2,0,0,0,0|0,0,0]=2 9611 B12R1.374 C=CCOc1cc(ccc1I)Cl 7a_100000050036_100015514636 [0,2,0,0,0,0|0,0,0]=2 9612 B12R1.374 C=CCOc1cc(ccc1I)F 34a_100010084537_100015514636 [0,2,0,0,0,0|0,0,0]=2 9613 B12R1.374 C=CCOc1cc(ccc1I)F 7a_100010084537_100015514636 [0,2,0,0,0,0|0,0,0]=2 9614 B12R1.374 C=CCOc1cc(ccc1N)Br 34a_100000739049_100015514636 [0,2,0,0,0,0|0,0,0]=2 9615 B12R1.374 C=CCOc1cc(ccc1N)Br 7a_100000739049_100015514636 [0,2,0,0,0,0|0,0,0]=2 9616 B12R1.374 C=CCOc1cc(ccc1N)C 34a_100000211527_100015514636 [0,2,0,0,0,0|0,0,0]=2 9617 B12R1.374 C=CCOc1cc(ccc1N)C 7a_100000211527_100015514636 [0,2,0,0,0,0|0,0,0]=2 9618 B12R1.374 C=CCOc1cc(ccc1N)Cl 34a_100000185728_100015514636 [0,2,0,0,0,0|0,0,0]=2 9619 B12R1.374 C=CCOc1cc(ccc1N)Cl 7a_100000185728_100015514636 [0,2,0,0,0,0|0,0,0]=2 9620 B12R1.374 C=CCOc1cc(ccc1N)F 34a_100000753323_100015514636 [0,2,0,0,0,0|0,0,0]=2 9621 B12R1.374 C=CCOc1cc(ccc1N)F 7a_100000753323_100015514636 [0,2,0,0,0,0|0,0,0]=2 9622 B12R1.374 C=CCOc1cc(ccc1N)I 34a_100000057187_100015514636 [0,2,0,0,0,0|0,0,0]=2 9623 B12R1.374 C=CCOc1cc(ccc1N)I 7a_100000057187_100015514636 [0,2,0,0,0,0|0,0,0]=2 9624 B12R1.374 C=CCOc1cc(ccc1N)N 34a_100025717382_100015514636 [0,2,0,0,0,0|0,0,0]=2 9625 B12R1.374 C=CCOc1cc(cnc1Br)Cl 34a_100000697010_100015514636 [0,2,0,0,0,0|1,0,0]=3 9626 B12R1.374 C=CCOc1cc(cnc1Br)Cl 7a_100000697010_100015514636 [0,2,0,0,0,0|1,0,0]=3 9627 B12R1.374 C=CCOc1cc(cnc1Br)F 34a_100009820119_100015514636 [0,2,0,0,0,0|1,0,0]=3 9628 B12R1.374 C=CCOc1cc(cnc1Br)F 7a_100009820119_100015514636 [0,2,0,0,0,0|1,0,0]=3 9629 B12R1.374 C=CCOc1cc(cnc1C)Br 34a_100009864810_100015514636 [0,2,0,0,0,0|1,0,0]=3 9630 B12R1.374 C=CCOc1cc(cnc1C)Br 7a_100009864810_100015514636 [0,2,0,0,0,0|1,0,0]=3 9631 B12R1.374 C=CCOc1cc(cnc1Cl)Br 34a_100012354860_100015514636 [0,2,0,0,0,0|1,0,0]=3 9632 B12R1.374 C=CCOc1cc(cnc1Cl)Br 7a_100012354860_100015514636 [0,2,0,0,0,0|1,0,0]=3 9633 B12R1.374 C=CCOc1cc(cnc1Cl)C 34a_100012000487_100015514636 [0,2,0,0,0,0|1,0,0]=3 9634 B12R1.374 C=CCOc1cc(cnc1Cl)C 7a_100012000487_100015514636 [0,2,0,0,0,0|1,0,0]=3 9635 B12R1.374 C=CCOc1cc(cnc1Cl)F 34a_100000079967_100015514636 [0,2,0,0,0,0|1,0,0]=3 9636 B12R1.374 C=CCOc1cc(cnc1Cl)F 7a_100000079967_100015514636 [0,2,0,0,0,0|1,0,0]=3 9637 B12R1.374 C=CCOc1cc(cnc1F)Br 34a_100009819871_100015514636 [0,2,0,0,0,0|1,0,0]=3 9638 B12R1.374 C=CCOc1cc(cnc1F)Br 7a_100009819871_100015514636 [0,2,0,0,0,0|1,0,0]=3 9639 B12R1.374 C=CCOc1cc(cnc1F)C 34a_100009849810_100015514636 [0,2,0,0,0,0|1,0,0]=3 9640 B12R1.374 C=CCOc1cc(cnc1F)C 7a_100009849810_100015514636 [0,2,0,0,0,0|1,0,0]=3 9641 B12R1.374 C=CCOc1cc(cnc1F)Cl 34a_100000094372_100015514636 [0,2,0,0,0,0|1,0,0]=3 9642 B12R1.374 C=CCOc1cc(cnc1F)Cl 7a_100000094372_100015514636 [0,2,0,0,0,0|1,0,0]=3 9643 B12R1.374 C=CCOc1cc(cnc1I)Br 34a_100010210634_100015514636 [0,2,0,0,0,0|1,0,0]=3 9644 B12R1.374 C=CCOc1cc(cnc1I)Br 7a_100010210634_100015514636 [0,2,0,0,0,0|1,0,0]=3 9645 B12R1.374 C=CCOc1cc(cnc1I)Cl 34a_100010233512_100015514636 [0,2,0,0,0,0|1,0,0]=3 9646 B12R1.374 C=CCOc1cc(cnc1I)Cl 7a_100010233512_100015514636 [0,2,0,0,0,0|1,0,0]=3 9647 B12R1.374 C=CCOc1cc(cnc1I)F 34a_100015624800_100015514636 [0,2,0,0,0,0|1,0,0]=3 9648 B12R1.374 C=CCOc1cc(cnc1I)F 7a_100015624800_100015514636 [0,2,0,0,0,0|1,0,0]=3 9649 B12R1.374 C=CCOc1cc(cnc1N)Br 34a_100009819042_100015514636 [0,2,0,0,0,0|1,0,0]=3 9650 B12R1.374 C=CCOc1cc(cnc1N)Br 7a_100009819042_100015514636 [0,2,0,0,0,0|1,0,0]=3 9651 B12R1.374 C=CCOc1cc(cnc1N)Cl 34a_100000123674_100015514636 [0,2,0,0,0,0|1,0,0]=3 9652 B12R1.374 C=CCOc1cc(cnc1N)Cl 7a_100000123674_100015514636 [0,2,0,0,0,0|1,0,0]=3 9653 B12R1.374 C=CCOc1cc(cnc1N)F 34a_100000094369_100015514636 [0,2,0,0,0,0|1,0,0]=3 9654 B12R1.374 C=CCOc1cc(cnc1N)F 7a_100000094369_100015514636 [0,2,0,0,0,0|1,0,0]=3 9655 B12R1.374 C=CCOc1cc(ncc1Br)Br 34a_100010235016_100015514636 [0,2,0,0,0,0|1,0,0]=3 9656 B12R1.374 C=CCOc1cc(ncc1Br)C 34a_100011016184_100015514636 [0,2,0,0,0,0|1,0,0]=3 9657 B12R1.374 C=CCOc1cc(ncc1Br)Cl 34a_100010173860_100015514636 [0,2,0,0,0,0|1,0,0]=3 9658 B12R1.374 C=CCOc1cc(ncc1C)Br 34a_100000704368_100015514636 [0,2,0,0,0,0|1,0,0]=3 9659 B12R1.374 C=CCOc1cc(ncc1C)Br 7a_100000704368_100015514636 [0,2,0,0,0,0|1,0,0]=3 9660 B12R1.374 C=CCOc1cc(ncc1Cl)Br 34a_100010173861_100015514636 [0,2,0,0,0,0|1,0,0]=3 9661 B12R1.374 C=CCOc1cc(ncc1F)Br 34a_100009854642_100015514636 [0,2,0,0,0,0|1,0,0]=3 9662 B12R1.374 C=CCOc1cc(ncc1F)Cl 34a_100009851168_100015514636 [0,2,0,0,0,0|1,0,0]=3 9663 B12R1.374 C=CCOc1cc(nnc1Cl)Cl 34a_100011997201_100015514636 [0,2,0,0,0,0|2,0,0]=4 9664 B12R1.374 C=CCOc1nc(ccc1Br)C 34a_100009817604_100015514636 [0,2,0,0,0,0|1,0,0]=3 9665 B12R1.374 C=CCOc1nc(ccc1F)Cl 34a_100010729010_100015514636 [0,2,0,0,0,0|1,0,0]=3 9666 B12R1.374 C=CCOc1nc(ccc1N)C 34a_100000687486_100015514636 [0,2,0,0,0,0|1,0,0]=3 9667 B12R1.374 C=CCOc1nc(ncc1F)Cl 34a_100011995740_100015514636 [0,2,0,0,0,0|2,0,0]=4 9668 B12R1.374 C=CCSc1cc(=O)[nH]cc1F 62a_100000210623_100009817642 [0,2,0,0,0,0|1,1,0]=4 9669 B12R1.374 C=CCSc1cc(=O)[nH]cc1F 62a_100009817642_100000210623 [0,2,0,0,0,0|1,1,0]=4 9670 B12R1.374 C=CCSc1cc(c[nH]c1=O)F 62a_100000210623_100009817720 [0,2,0,0,0,0|1,1,0]=4 9671 B12R1.374 C=CCSc1cc(c[nH]c1=O)F 62a_100009817720_100000210623 [0,2,0,0,0,0|1,1,0]=4 9672 B12R1.374 C=CCSc1cc(ccc1Br)Br 62a_100000210623_100011483371 [0,2,0,0,0,0|0,1,0]=3 9673 B12R1.374 C=CCSc1cc(ccc1Br)Br 62a_100011483371_100000210623 [0,2,0,0,0,0|0,1,0]=3 9674 B12R1.374 C=CCSc1cc(ccc1Br)C 62a_100000210623_100012353751 [0,2,0,0,0,0|0,1,0]=3 9675 B12R1.374 C=CCSc1cc(ccc1Br)C 62a_100012353751_100000210623 [0,2,0,0,0,0|0,1,0]=3 9676 B12R1.374 C=CCSc1cc(ccc1Br)Cl 62a_100000210623_100012339723 [0,2,0,0,0,0|0,1,0]=3 9677 B12R1.374 C=CCSc1cc(ccc1Br)Cl 62a_100012339723_100000210623 [0,2,0,0,0,0|0,1,0]=3 9678 B12R1.374 C=CCSc1cc(ccc1Br)F 62a_100000210623_100011217576 [0,2,0,0,0,0|0,1,0]=3 9679 B12R1.374 C=CCSc1cc(ccc1Br)F 62a_100011217576_100000210623 [0,2,0,0,0,0|0,1,0]=3 9680 B12R1.374 C=CCSc1cc(ccc1Br)N 62a_100000210623_100000750459 [0,2,0,0,0,0|0,1,0]=3 9681 B12R1.374 C=CCSc1cc(ccc1Br)N 62a_100000750459_100000210623 [0,2,0,0,0,0|0,1,0]=3 9682 B12R1.374 C=CCSc1cc(ccc1Br)O 62a_100000210623_100012339312 [0,2,0,0,0,0|0,1,0]=3 9683 B12R1.374 C=CCSc1cc(ccc1Br)O 62a_100012339312_100000210623 [0,2,0,0,0,0|0,1,0]=3 9684 B12R1.374 C=CCSc1cc(ccc1C)Br 62a_100000210623_100011344865 [0,2,0,0,0,0|0,1,0]=3 9685 B12R1.374 C=CCSc1cc(ccc1C)Br 62a_100011344865_100000210623 [0,2,0,0,0,0|0,1,0]=3 9686 B12R1.374 C=CCSc1cc(ccc1C)C 62a_100000210623_100000210833 [0,2,0,0,0,0|0,1,0]=3 9687 B12R1.374 C=CCSc1cc(ccc1C)C 62a_100000210833_100000210623 [0,2,0,0,0,0|0,1,0]=3 9688 B12R1.374 C=CCSc1cc(ccc1C)Cl 62a_100000210623_100011263213 [0,2,0,0,0,0|0,1,0]=3 9689 B12R1.374 C=CCSc1cc(ccc1C)Cl 62a_100011263213_100000210623 [0,2,0,0,0,0|0,1,0]=3 9690 B12R1.374 C=CCSc1cc(ccc1C)F 62a_100000210623_100011218078 [0,2,0,0,0,0|0,1,0]=3 9691 B12R1.374 C=CCSc1cc(ccc1C)F 62a_100011218078_100000210623 [0,2,0,0,0,0|0,1,0]=3 9692 B12R1.374 C=CCSc1cc(ccc1C)N 62a_100000210623_100000736455 [0,2,0,0,0,0|0,1,0]=3 9693 B12R1.374 C=CCSc1cc(ccc1C)N 62a_100000736455_100000210623 [0,2,0,0,0,0|0,1,0]=3 9694 B12R1.374 C=CCSc1cc(ccc1C)O 62a_100000210623_100011380479 [0,2,0,0,0,0|0,1,0]=3 9695 B12R1.374 C=CCSc1cc(ccc1C)O 62a_100011380479_100000210623 [0,2,0,0,0,0|0,1,0]=3 9696 B12R1.374 C=CCSc1cc(ccc1Cl)Br 62a_100000210623_100011772130 [0,2,0,0,0,0|0,1,0]=3 9697 B12R1.374 C=CCSc1cc(ccc1Cl)Br 62a_100011772130_100000210623 [0,2,0,0,0,0|0,1,0]=3 9698 B12R1.374 C=CCSc1cc(ccc1Cl)C 62a_100000210623_100012356289 [0,2,0,0,0,0|0,1,0]=3 9699 B12R1.374 C=CCSc1cc(ccc1Cl)C 62a_100012356289_100000210623 [0,2,0,0,0,0|0,1,0]=3 9700 B12R1.374 C=CCSc1cc(ccc1Cl)Cl 62a_100000210623_100000707729 [0,2,0,0,0,0|0,1,0]=3 9701 B12R1.374 C=CCSc1cc(ccc1Cl)Cl 62a_100000707729_100000210623 [0,2,0,0,0,0|0,1,0]=3 9702 B12R1.374 C=CCSc1cc(ccc1Cl)F 62a_100000210623_100011217299 [0,2,0,0,0,0|0,1,0]=3 9703 B12R1.374 C=CCSc1cc(ccc1Cl)F 62a_100011217299_100000210623 [0,2,0,0,0,0|0,1,0]=3 9704 B12R1.374 C=CCSc1cc(ccc1Cl)N 62a_100000210623_100012360549 [0,2,0,0,0,0|0,1,0]=3 9705 B12R1.374 C=CCSc1cc(ccc1Cl)N 62a_100012360549_100000210623 [0,2,0,0,0,0|0,1,0]=3 9706 B12R1.374 C=CCSc1cc(ccc1Cl)O 62a_100000049588_100000210623 [0,2,0,0,0,0|0,1,0]=3 9707 B12R1.374 C=CCSc1cc(ccc1Cl)O 62a_100000210623_100000049588 [0,2,0,0,0,0|0,1,0]=3 9708 B12R1.374 C=CCSc1cc(ccc1F)Br 62a_100000210623_100011217312 [0,2,0,0,0,0|0,1,0]=3 9709 B12R1.374 C=CCSc1cc(ccc1F)Br 62a_100011217312_100000210623 [0,2,0,0,0,0|0,1,0]=3 9710 B12R1.374 C=CCSc1cc(ccc1F)C 62a_100000210623_100000736223 [0,2,0,0,0,0|0,1,0]=3 9711 B12R1.374 C=CCSc1cc(ccc1F)C 62a_100000736223_100000210623 [0,2,0,0,0,0|0,1,0]=3 9712 B12R1.374 C=CCSc1cc(ccc1F)Cl 62a_100000210623_100011218116 [0,2,0,0,0,0|0,1,0]=3 9713 B12R1.374 C=CCSc1cc(ccc1F)Cl 62a_100011218116_100000210623 [0,2,0,0,0,0|0,1,0]=3 9714 B12R1.374 C=CCSc1cc(ccc1F)F 62a_100000210623_100011219198 [0,2,0,0,0,0|0,1,0]=3 9715 B12R1.374 C=CCSc1cc(ccc1F)F 62a_100011219198_100000210623 [0,2,0,0,0,0|0,1,0]=3 9716 B12R1.374 C=CCSc1cc(ccc1F)N 62a_100000210623_100000760356 [0,2,0,0,0,0|0,1,0]=3 9717 B12R1.374 C=CCSc1cc(ccc1F)N 62a_100000760356_100000210623 [0,2,0,0,0,0|0,1,0]=3 9718 B12R1.374 C=CCSc1cc(ccc1F)O 62a_100000210623_100000693481 [0,2,0,0,0,0|0,1,0]=3 9719 B12R1.374 C=CCSc1cc(ccc1F)O 62a_100000693481_100000210623 [0,2,0,0,0,0|0,1,0]=3 9720 B12R1.374 C=CCSc1cc(ccc1N)Br 62a_100000187925_100000210623 [0,2,0,0,0,0|0,1,0]=3 9721 B12R1.374 C=CCSc1cc(ccc1N)Br 62a_100000210623_100000187925 [0,2,0,0,0,0|0,1,0]=3 9722 B12R1.374 C=CCSc1cc(ccc1N)C 62a_100000210623_100011356834 [0,2,0,0,0,0|0,1,0]=3 9723 B12R1.374 C=CCSc1cc(ccc1N)C 62a_100011356834_100000210623 [0,2,0,0,0,0|0,1,0]=3 9724 B12R1.374 C=CCSc1cc(ccc1N)Cl 62a_100000210623_100000761889 [0,2,0,0,0,0|0,1,0]=3 9725 B12R1.374 C=CCSc1cc(ccc1N)Cl 62a_100000761889_100000210623 [0,2,0,0,0,0|0,1,0]=3 9726 B12R1.374 C=CCSc1cc(ccc1N)F 62a_100000210623_100000760547 [0,2,0,0,0,0|0,1,0]=3 9727 B12R1.374 C=CCSc1cc(ccc1N)F 62a_100000760547_100000210623 [0,2,0,0,0,0|0,1,0]=3 9728 B12R1.374 C=CCSc1cc(ccc1N)N 62a_100000210623_100011534242 [0,2,0,0,0,0|0,1,0]=3 9729 B12R1.374 C=CCSc1cc(ccc1N)N 62a_100011534242_100000210623 [0,2,0,0,0,0|0,1,0]=3 9730 B12R1.374 C=CCSc1cc(ccc1N)O 62a_100000210623_100012001276 [0,2,0,0,0,0|0,1,0]=3 9731 B12R1.374 C=CCSc1cc(ccc1N)O 62a_100012001276_100000210623 [0,2,0,0,0,0|0,1,0]=3 9732 B12R1.374 C=CCSc1cc(ccc1O)Br 62a_100000210623_100012355227 [0,2,0,0,0,0|0,1,0]=3 9733 B12R1.374 C=CCSc1cc(ccc1O)Br 62a_100012355227_100000210623 [0,2,0,0,0,0|0,1,0]=3 9734 B12R1.374 C=CCSc1cc(ccc1O)C 62a_100000210623_100000765521 [0,2,0,0,0,0|0,1,0]=3 9735 B12R1.374 C=CCSc1cc(ccc1O)C 62a_100000765521_100000210623 [0,2,0,0,0,0|0,1,0]=3 9736 B12R1.374 C=CCSc1cc(ccc1O)Cl 62a_100000210623_100011356953 [0,2,0,0,0,0|0,1,0]=3 9737 B12R1.374 C=CCSc1cc(ccc1O)Cl 62a_100011356953_100000210623 [0,2,0,0,0,0|0,1,0]=3 9738 B12R1.374 C=CCSc1cc(ccc1O)F 62a_100000210623_100000211999 [0,2,0,0,0,0|0,1,0]=3 9739 B12R1.374 C=CCSc1cc(ccc1O)F 62a_100000211999_100000210623 [0,2,0,0,0,0|0,1,0]=3 9740 B12R1.374 C=CCSc1cc(ccc1O)N 62a_100000210623_100011534360 [0,2,0,0,0,0|0,1,0]=3 9741 B12R1.374 C=CCSc1cc(ccc1O)N 62a_100011534360_100000210623 [0,2,0,0,0,0|0,1,0]=3 9742 B12R1.374 C=CCSc1cc(ccc1O)O 62a_100000210623_100009813629 [0,2,0,0,0,0|0,1,0]=3 9743 B12R1.374 C=CCSc1cc(cnc1Br)N 62a_100000210623_100010201102 [0,2,0,0,0,0|1,1,0]=4 9744 B12R1.374 C=CCSc1cc(cnc1Br)N 62a_100010201102_100000210623 [0,2,0,0,0,0|1,1,0]=4 9745 B12R1.374 C=CCSc1cc(cnc1C)Br 62a_100000210623_200010090566 [0,2,0,0,0,0|1,1,0]=4 9746 B12R1.374 C=CCSc1cc(cnc1C)Br 62a_200010090566_100000210623 [0,2,0,0,0,0|1,1,0]=4 9747 B12R1.374 C=CCSc1cc(cnc1C)C 62a_100000210623_100009817436 [0,2,0,0,0,0|1,1,0]=4 9748 B12R1.374 C=CCSc1cc(cnc1C)C 62a_100009817436_100000210623 [0,2,0,0,0,0|1,1,0]=4 9749 B12R1.374 C=CCSc1cc(cnc1C)F 62a_100000210623_100009860710 [0,2,0,0,0,0|1,1,0]=4 9750 B12R1.374 C=CCSc1cc(cnc1C)F 62a_100009860710_100000210623 [0,2,0,0,0,0|1,1,0]=4 9751 B12R1.374 C=CCSc1cc(cnc1C)N 62a_100000210623_100011998591 [0,2,0,0,0,0|1,1,0]=4 9752 B12R1.374 C=CCSc1cc(cnc1C)N 62a_100011998591_100000210623 [0,2,0,0,0,0|1,1,0]=4 9753 B12R1.374 C=CCSc1cc(cnc1C)O 62a_100000210623_100009819603 [0,2,0,0,0,0|1,1,0]=4 9754 B12R1.374 C=CCSc1cc(cnc1C)O 62a_100009819603_100000210623 [0,2,0,0,0,0|1,1,0]=4 9755 B12R1.374 C=CCSc1cc(cnc1Cl)Br 62a_100000210623_100009814771 [0,2,0,0,0,0|1,1,0]=4 9756 B12R1.374 C=CCSc1cc(cnc1Cl)Br 62a_100009814771_100000210623 [0,2,0,0,0,0|1,1,0]=4 9757 B12R1.374 C=CCSc1cc(cnc1Cl)C 62a_100000210623_100010210167 [0,2,0,0,0,0|1,1,0]=4 9758 B12R1.374 C=CCSc1cc(cnc1Cl)C 62a_100010210167_100000210623 [0,2,0,0,0,0|1,1,0]=4 9759 B12R1.374 C=CCSc1cc(cnc1Cl)Cl 62a_100000210623_200000062399 [0,2,0,0,0,0|1,1,0]=4 9760 B12R1.374 C=CCSc1cc(cnc1Cl)Cl 62a_200000062399_100000210623 [0,2,0,0,0,0|1,1,0]=4 9761 B12R1.374 C=CCSc1cc(cnc1Cl)N 62a_100000210623_100010253917 [0,2,0,0,0,0|1,1,0]=4 9762 B12R1.374 C=CCSc1cc(cnc1Cl)N 62a_100010253917_100000210623 [0,2,0,0,0,0|1,1,0]=4 9763 B12R1.374 C=CCSc1cc(cnc1F)Br 62a_100000210623_100010172738 [0,2,0,0,0,0|1,1,0]=4 9764 B12R1.374 C=CCSc1cc(cnc1F)Br 62a_100010172738_100000210623 [0,2,0,0,0,0|1,1,0]=4 9765 B12R1.374 C=CCSc1cc(cnc1F)C 62a_100000049784_100000210623 [0,2,0,0,0,0|1,1,0]=4 9766 B12R1.374 C=CCSc1cc(cnc1F)C 62a_100000210623_100000049784 [0,2,0,0,0,0|1,1,0]=4 9767 B12R1.374 C=CCSc1cc(cnc1F)Cl 62a_100000210623_100010188783 [0,2,0,0,0,0|1,1,0]=4 9768 B12R1.374 C=CCSc1cc(cnc1F)Cl 62a_100010188783_100000210623 [0,2,0,0,0,0|1,1,0]=4 9769 B12R1.374 C=CCSc1cc(cnc1F)F 62a_100000210623_100009820768 [0,2,0,0,0,0|1,1,0]=4 9770 B12R1.374 C=CCSc1cc(cnc1F)F 62a_100009820768_100000210623 [0,2,0,0,0,0|1,1,0]=4 9771 B12R1.374 C=CCSc1cc(cnc1F)N 62a_100000210623_100009840397 [0,2,0,0,0,0|1,1,0]=4 9772 B12R1.374 C=CCSc1cc(cnc1F)N 62a_100009840397_100000210623 [0,2,0,0,0,0|1,1,0]=4 9773 B12R1.374 C=CCSc1cc(cnc1F)O 62a_100000210623_100009817267 [0,2,0,0,0,0|1,1,0]=4 9774 B12R1.374 C=CCSc1cc(cnc1F)O 62a_100009817267_100000210623 [0,2,0,0,0,0|1,1,0]=4 9775 B12R1.374 C=CCSc1cc(cnc1N)Br 62a_100000210623_100000760472 [0,2,0,0,0,0|1,1,0]=4 9776 B12R1.374 C=CCSc1cc(cnc1N)Br 62a_100000760472_100000210623 [0,2,0,0,0,0|1,1,0]=4 9777 B12R1.374 C=CCSc1cc(cnc1N)C 62a_100000049664_100000210623 [0,2,0,0,0,0|1,1,0]=4 9778 B12R1.374 C=CCSc1cc(cnc1N)C 62a_100000210623_100000049664 [0,2,0,0,0,0|1,1,0]=4 9779 B12R1.374 C=CCSc1cc(cnc1N)Cl 62a_100000050159_100000210623 [0,2,0,0,0,0|1,1,0]=4 9780 B12R1.374 C=CCSc1cc(cnc1N)Cl 62a_100000210623_100000050159 [0,2,0,0,0,0|1,1,0]=4 9781 B12R1.374 C=CCSc1cc(cnc1N)F 62a_100000210623_100009814671 [0,2,0,0,0,0|1,1,0]=4 9782 B12R1.374 C=CCSc1cc(cnc1N)F 62a_100009814671_100000210623 [0,2,0,0,0,0|1,1,0]=4 9783 B12R1.374 C=CCSc1cc(cnc1N)N 62a_100000210623_200011934315 [0,2,0,0,0,0|1,1,0]=4 9784 B12R1.374 C=CCSc1cc(cnc1N)N 62a_200011934315_100000210623 [0,2,0,0,0,0|1,1,0]=4 9785 B12R1.374 C=CCSc1cc(cnc1O)Br 62a_100000210623_100010197142 [0,2,0,0,0,0|1,1,0]=4 9786 B12R1.374 C=CCSc1cc(cnc1O)Br 62a_100010197142_100000210623 [0,2,0,0,0,0|1,1,0]=4 9787 B12R1.374 C=CCSc1cc(cnc1O)C 62a_100000210623_100000719714 [0,2,0,0,0,0|1,1,0]=4 9788 B12R1.374 C=CCSc1cc(cnc1O)C 62a_100000719714_100000210623 [0,2,0,0,0,0|1,1,0]=4 9789 B12R1.374 C=CCSc1cc(cnc1O)Cl 62a_100000210623_100010188700 [0,2,0,0,0,0|1,1,0]=4 9790 B12R1.374 C=CCSc1cc(cnc1O)Cl 62a_100010188700_100000210623 [0,2,0,0,0,0|1,1,0]=4 9791 B12R1.374 C=CCSc1cc(ncc1Br)Br 62a_100000210623_100010171693 [0,2,0,0,0,0|1,1,0]=4 9792 B12R1.374 C=CCSc1cc(ncc1Br)Br 62a_100010171693_100000210623 [0,2,0,0,0,0|1,1,0]=4 9793 B12R1.374 C=CCSc1cc(ncc1Br)Cl 62a_100000210623_100009815598 [0,2,0,0,0,0|1,1,0]=4 9794 B12R1.374 C=CCSc1cc(ncc1Br)Cl 62a_100009815598_100000210623 [0,2,0,0,0,0|1,1,0]=4 9795 B12R1.374 C=CCSc1cc(ncc1C)Br 62a_100000210623_100010067628 [0,2,0,0,0,0|1,1,0]=4 9796 B12R1.374 C=CCSc1cc(ncc1C)Br 62a_100010067628_100000210623 [0,2,0,0,0,0|1,1,0]=4 9797 B12R1.374 C=CCSc1cc(ncc1C)C 62a_100000210623_100009862788 [0,2,0,0,0,0|1,1,0]=4 9798 B12R1.374 C=CCSc1cc(ncc1C)C 62a_100009862788_100000210623 [0,2,0,0,0,0|1,1,0]=4 9799 B12R1.374 C=CCSc1cc(ncc1C)Cl 62a_100000210623_100010068021 [0,2,0,0,0,0|1,1,0]=4 9800 B12R1.374 C=CCSc1cc(ncc1C)Cl 62a_100010068021_100000210623 [0,2,0,0,0,0|1,1,0]=4 9801 B12R1.374 C=CCSc1cc(ncc1C)F 62a_100000049870_100000210623 [0,2,0,0,0,0|1,1,0]=4 9802 B12R1.374 C=CCSc1cc(ncc1C)F 62a_100000210623_100000049870 [0,2,0,0,0,0|1,1,0]=4 9803 B12R1.374 C=CCSc1cc(ncc1C)N 62a_100000210623_100009819938 [0,2,0,0,0,0|1,1,0]=4 9804 B12R1.374 C=CCSc1cc(ncc1C)N 62a_100009819938_100000210623 [0,2,0,0,0,0|1,1,0]=4 9805 B12R1.374 C=CCSc1cc(ncc1C)O 62a_100000210623_100009831917 [0,2,0,0,0,0|1,1,0]=4 9806 B12R1.374 C=CCSc1cc(ncc1C)O 62a_100009831917_100000210623 [0,2,0,0,0,0|1,1,0]=4 9807 B12R1.374 C=CCSc1cc(ncc1Cl)Br 62a_100000210623_100010223331 [0,2,0,0,0,0|1,1,0]=4 9808 B12R1.374 C=CCSc1cc(ncc1Cl)Br 62a_100010223331_100000210623 [0,2,0,0,0,0|1,1,0]=4 9809 B12R1.374 C=CCSc1cc(ncc1Cl)Cl 62a_100000210623_100010172835 [0,2,0,0,0,0|1,1,0]=4 9810 B12R1.374 C=CCSc1cc(ncc1Cl)Cl 62a_100010172835_100000210623 [0,2,0,0,0,0|1,1,0]=4 9811 B12R1.374 C=CCSc1cc(ncc1Cl)F 62a_100000210623_100009892587 [0,2,0,0,0,0|1,1,0]=4 9812 B12R1.374 C=CCSc1cc(ncc1Cl)F 62a_100009892587_100000210623 [0,2,0,0,0,0|1,1,0]=4 9813 B12R1.374 C=CCSc1cc(ncc1Cl)N 62a_100000210623_100010134119 [0,2,0,0,0,0|1,1,0]=4 9814 B12R1.374 C=CCSc1cc(ncc1Cl)N 62a_100010134119_100000210623 [0,2,0,0,0,0|1,1,0]=4 9815 B12R1.374 C=CCSc1cc(ncc1F)Br 62a_100000210623_100010193852 [0,2,0,0,0,0|1,1,0]=4 9816 B12R1.374 C=CCSc1cc(ncc1F)Br 62a_100010193852_100000210623 [0,2,0,0,0,0|1,1,0]=4 9817 B12R1.374 C=CCSc1cc(ncc1F)C 62a_100000210623_100009867690 [0,2,0,0,0,0|1,1,0]=4 9818 B12R1.374 C=CCSc1cc(ncc1F)C 62a_100009867690_100000210623 [0,2,0,0,0,0|1,1,0]=4 9819 B12R1.374 C=CCSc1cc(ncc1F)Cl 62a_100000210623_100000708277 [0,2,0,0,0,0|1,1,0]=4 9820 B12R1.374 C=CCSc1cc(ncc1F)Cl 62a_100000708277_100000210623 [0,2,0,0,0,0|1,1,0]=4 9821 B12R1.374 C=CCSc1cc(ncc1F)F 62a_100000210623_100010233071 [0,2,0,0,0,0|1,1,0]=4 9822 B12R1.374 C=CCSc1cc(ncc1F)F 62a_100010233071_100000210623 [0,2,0,0,0,0|1,1,0]=4 9823 B12R1.374 C=CCSc1cc(ncc1F)N 62a_100000210623_100015713587 [0,2,0,0,0,0|1,1,0]=4 9824 B12R1.374 C=CCSc1cc(ncc1F)N 62a_100015713587_100000210623 [0,2,0,0,0,0|1,1,0]=4 9825 B12R1.374 C=CCSc1cc(ncc1N)Cl 62a_100000050123_100000210623 [0,2,0,0,0,0|1,1,0]=4 9826 B12R1.374 C=CCSc1cc(ncc1N)Cl 62a_100000210623_100000050123 [0,2,0,0,0,0|1,1,0]=4 9827 B12R1.374 C=CCSc1cc(ncc1O)C 62a_100000210623_100009843476 [0,2,0,0,0,0|1,1,0]=4 9828 B12R1.374 C=CCSc1cc(ncc1O)C 62a_100009843476_100000210623 [0,2,0,0,0,0|1,1,0]=4 9829 B12R1.374 C=CCSc1cc(ncc1O)Cl 62a_100000210623_100000698892 [0,2,0,0,0,0|1,1,0]=4 9830 B12R1.374 C=CCSc1cc(ncc1O)Cl 62a_100000698892_100000210623 [0,2,0,0,0,0|1,1,0]=4 9831 B12R1.374 C=CCSc1cn(ccc1=O)C 62a_100000210623_100010750718 [0,2,0,0,0,0|1,1,0]=4 9832 B12R1.374 C=CCSc1cn(ccc1=O)C 62a_100010750718_100000210623 [0,2,0,0,0,0|1,1,0]=4 9833 B12R1.374 C=CCSc1nc(ccc1Br)N 62a_100000210623_100010192275 [0,2,0,0,0,0|1,1,0]=4 9834 B12R1.374 C=CCSc1nc(ccc1Br)N 62a_100010192275_100000210623 [0,2,0,0,0,0|1,1,0]=4 9835 B12R1.374 C=CCSc1nc(ccc1C)C 62a_100000210623_100009854376 [0,2,0,0,0,0|1,1,0]=4 9836 B12R1.374 C=CCSc1nc(ccc1C)C 62a_100009854376_100000210623 [0,2,0,0,0,0|1,1,0]=4 9837 B12R1.374 C=CCSc1nc(ccc1C)N 62a_100000126722_100000210623 [0,2,0,0,0,0|1,1,0]=4 9838 B12R1.374 C=CCSc1nc(ccc1C)N 62a_100000210623_100000126722 [0,2,0,0,0,0|1,1,0]=4 9839 B12R1.374 C=CCSc1nc(ccc1F)C 62a_100000210623_100009817602 [0,2,0,0,0,0|1,1,0]=4 9840 B12R1.374 C=CCSc1nc(ccc1F)C 62a_100009817602_100000210623 [0,2,0,0,0,0|1,1,0]=4 9841 B12R1.374 C=CCSc1nc(ccc1F)Cl 62a_100000210623_100010136221 [0,2,0,0,0,0|1,1,0]=4 9842 B12R1.374 C=CCSc1nc(ccc1F)Cl 62a_100010136221_100000210623 [0,2,0,0,0,0|1,1,0]=4 9843 B12R1.374 C=CCSc1nc(ccc1F)F 62a_100000210623_100010997973 [0,2,0,0,0,0|1,1,0]=4 9844 B12R1.374 C=CCSc1nc(ccc1F)F 62a_100010997973_100000210623 [0,2,0,0,0,0|1,1,0]=4 9845 B12R1.374 C=CCSc1nc(ccc1F)N 62a_100000210623_100010892222 [0,2,0,0,0,0|1,1,0]=4 9846 B12R1.374 C=CCSc1nc(ccc1F)N 62a_100010892222_100000210623 [0,2,0,0,0,0|1,1,0]=4 9847 B12R1.374 C=CCSc1nc(ccc1N)Br 62a_100000210623_100010168765 [0,2,0,0,0,0|1,1,0]=4 9848 B12R1.374 C=CCSc1nc(ccc1N)Br 62a_100010168765_100000210623 [0,2,0,0,0,0|1,1,0]=4 9849 B12R1.374 C=CCSc1nc(ccc1N)C 62a_100000210623_100000685570 [0,2,0,0,0,0|1,1,0]=4 9850 B12R1.374 C=CCSc1nc(ccc1N)C 62a_100000685570_100000210623 [0,2,0,0,0,0|1,1,0]=4 9851 B12R1.374 C=CCSc1nc(ccc1N)Cl 62a_100000210623_100010233647 [0,2,0,0,0,0|1,1,0]=4 9852 B12R1.374 C=CCSc1nc(ccc1N)Cl 62a_100010233647_100000210623 [0,2,0,0,0,0|1,1,0]=4 9853 B12R1.374 C=CCSc1nc(ccc1N)F 62a_100000210623_100009879877 [0,2,0,0,0,0|1,1,0]=4 9854 B12R1.374 C=CCSc1nc(ccc1N)F 62a_100009879877_100000210623 [0,2,0,0,0,0|1,1,0]=4 9855 B12R1.374 C=CCSc1nc(ccc1N)N 62a_100000210623_200009884323 [0,2,0,0,0,0|1,1,0]=4 9856 B12R1.374 C=CCSc1nc(ccc1N)N 62a_200009884323_100000210623 [0,2,0,0,0,0|1,1,0]=4 9857 B12R1.374 C=CCSc1nc(ccc1O)Br 62a_100000210623_100010253912 [0,2,0,0,0,0|1,1,0]=4 9858 B12R1.374 C=CCSc1nc(ccc1O)Br 62a_100010253912_100000210623 [0,2,0,0,0,0|1,1,0]=4 9859 B12R1.374 C=CCSc1nc(ccc1O)C 62a_100000210623_100000702858 [0,2,0,0,0,0|1,1,0]=4 9860 B12R1.374 C=CCSc1nc(ccc1O)C 62a_100000702858_100000210623 [0,2,0,0,0,0|1,1,0]=4 9861 B12R1.374 C=CCSc1nc(ccc1O)Cl 62a_100000210623_100000696390 [0,2,0,0,0,0|1,1,0]=4 9862 B12R1.374 C=CCSc1nc(ccc1O)F 62a_100000210623_100010382442 [0,2,0,0,0,0|1,1,0]=4 9863 B12R1.374 C=CCSc1nc(ccc1O)F 62a_100010382442_100000210623 [0,2,0,0,0,0|1,1,0]=4 9864 B12R1.374 CCCOc1cc(ccc1Br)Br 34a_100011220040_100000210303 [0,2,0,0,0,0|0,0,2]=4 9865 B12R1.374 CCCOc1cc(ccc1Br)Br 7a_100011220040_100000210303 [0,2,0,0,0,0|0,0,2]=4 9866 B12R1.374 CCCOc1cc(ccc1Br)C 34a_100012002257_100000210303 [0,2,0,0,0,0|0,0,2]=4 9867 B12R1.374 CCCOc1cc(ccc1Br)C 7a_100012002257_100000210303 [0,2,0,0,0,0|0,0,2]=4 9868 B12R1.374 CCCOc1cc(ccc1Br)Cl 34a_100012339455_100000210303 [0,2,0,0,0,0|0,0,2]=4 9869 B12R1.374 CCCOc1cc(ccc1Br)Cl 7a_100012339455_100000210303 [0,2,0,0,0,0|0,0,2]=4 9870 B12R1.374 CCCOc1cc(ccc1Br)F 34a_100000690578_100000210303 [0,2,0,0,0,0|0,0,2]=4 9871 B12R1.374 CCCOc1cc(ccc1Br)F 7a_100000690578_100000210303 [0,2,0,0,0,0|0,0,2]=4 9872 B12R1.374 CCCOc1cc(ccc1Br)I 34a_100012356990_100000210303 [0,2,0,0,0,0|0,0,2]=4 9873 B12R1.374 CCCOc1cc(ccc1Br)I 7a_100012356990_100000210303 [0,2,0,0,0,0|0,0,2]=4 9874 B12R1.374 CCCOc1cc(ccc1C)Br 34a_100000685420_100000210303 [0,2,0,0,0,0|0,0,2]=4 9875 B12R1.374 CCCOc1cc(ccc1C)Br 7a_100000685420_100000210303 [0,2,0,0,0,0|0,0,2]=4 9876 B12R1.374 CCCOc1cc(ccc1C)C 34a_100000210931_100000210303 [0,2,0,0,0,0|0,0,2]=4 9877 B12R1.374 CCCOc1cc(ccc1C)C 7a_100000210931_100000210303 [0,2,0,0,0,0|0,0,2]=4 9878 B12R1.374 CCCOc1cc(ccc1C)Cl 34a_100000756515_100000210303 [0,2,0,0,0,0|0,0,2]=4 9879 B12R1.374 CCCOc1cc(ccc1C)Cl 7a_100000756515_100000210303 [0,2,0,0,0,0|0,0,2]=4 9880 B12R1.374 CCCOc1cc(ccc1C)F 34a_100000690566_100000210303 [0,2,0,0,0,0|0,0,2]=4 9881 B12R1.374 CCCOc1cc(ccc1C)F 7a_100000690566_100000210303 [0,2,0,0,0,0|0,0,2]=4 9882 B12R1.374 CCCOc1cc(ccc1C)I 7a_100000766334_100000210303 [0,2,0,0,0,0|0,0,2]=4 9883 B12R1.374 CCCOc1cc(ccc1C)N 34a_100000759471_100000210303 [0,2,0,0,0,0|0,0,2]=4 9884 B12R1.374 CCCOc1cc(ccc1C)N 7a_100000759471_100000210303 [0,2,0,0,0,0|0,0,2]=4 9885 B12R1.374 CCCOc1cc(ccc1Cl)Br 34a_100000738945_100000210303 [0,2,0,0,0,0|0,0,2]=4 9886 B12R1.374 CCCOc1cc(ccc1Cl)Br 7a_100000738945_100000210303 [0,2,0,0,0,0|0,0,2]=4 9887 B12R1.374 CCCOc1cc(ccc1Cl)C 34a_100000211493_100000210303 [0,2,0,0,0,0|0,0,2]=4 9888 B12R1.374 CCCOc1cc(ccc1Cl)C 7a_100000211493_100000210303 [0,2,0,0,0,0|0,0,2]=4 9889 B12R1.374 CCCOc1cc(ccc1Cl)Cl 34a_100000211422_100000210303 [0,2,0,0,0,0|0,0,2]=4 9890 B12R1.374 CCCOc1cc(ccc1Cl)Cl 7a_100000211422_100000210303 [0,2,0,0,0,0|0,0,2]=4 9891 B12R1.374 CCCOc1cc(ccc1Cl)F 34a_100000692107_100000210303 [0,2,0,0,0,0|0,0,2]=4 9892 B12R1.374 CCCOc1cc(ccc1Cl)F 7a_100000692107_100000210303 [0,2,0,0,0,0|0,0,2]=4 9893 B12R1.374 CCCOc1cc(ccc1Cl)I 34a_100011356854_100000210303 [0,2,0,0,0,0|0,0,2]=4 9894 B12R1.374 CCCOc1cc(ccc1Cl)I 7a_100011356854_100000210303 [0,2,0,0,0,0|0,0,2]=4 9895 B12R1.374 CCCOc1cc(ccc1Cl)N 34a_100011934209_100000210303 [0,2,0,0,0,0|0,0,2]=4 9896 B12R1.374 CCCOc1cc(ccc1F)Br 34a_100000686035_100000210303 [0,2,0,0,0,0|0,0,2]=4 9897 B12R1.374 CCCOc1cc(ccc1F)Br 7a_100000686035_100000210303 [0,2,0,0,0,0|0,0,2]=4 9898 B12R1.374 CCCOc1cc(ccc1F)C 34a_100000759540_100000210303 [0,2,0,0,0,0|0,0,2]=4 9899 B12R1.374 CCCOc1cc(ccc1F)C 7a_100000759540_100000210303 [0,2,0,0,0,0|0,0,2]=4 9900 B12R1.374 CCCOc1cc(ccc1F)Cl 34a_100000757397_100000210303 [0,2,0,0,0,0|0,0,2]=4 9901 B12R1.374 CCCOc1cc(ccc1F)Cl 7a_100000757397_100000210303 [0,2,0,0,0,0|0,0,2]=4 9902 B12R1.374 CCCOc1cc(ccc1F)F 34a_100000752141_100000210303 [0,2,0,0,0,0|0,0,2]=4 9903 B12R1.374 CCCOc1cc(ccc1F)F 7a_100000752141_100000210303 [0,2,0,0,0,0|0,0,2]=4 9904 B12R1.374 CCCOc1cc(ccc1F)I 34a_100009958187_100000210303 [0,2,0,0,0,0|0,0,2]=4 9905 B12R1.374 CCCOc1cc(ccc1F)I 7a_100009958187_100000210303 [0,2,0,0,0,0|0,0,2]=4 9906 B12R1.374 CCCOc1cc(ccc1F)N 34a_100012017398_100000210303 [0,2,0,0,0,0|0,0,2]=4 9907 B12R1.374 CCCOc1cc(ccc1F)N 7a_100012017398_100000210303 [0,2,0,0,0,0|0,0,2]=4 9908 B12R1.374 CCCOc1cc(ccc1I)Br 34a_100012344904_100000210303 [0,2,0,0,0,0|0,0,2]=4 9909 B12R1.374 CCCOc1cc(ccc1I)Br 7a_100012344904_100000210303 [0,2,0,0,0,0|0,0,2]=4 9910 B12R1.374 CCCOc1cc(ccc1I)Cl 34a_100000050036_100000210303 [0,2,0,0,0,0|0,0,2]=4 9911 B12R1.374 CCCOc1cc(ccc1I)Cl 7a_100000050036_100000210303 [0,2,0,0,0,0|0,0,2]=4 9912 B12R1.374 CCCOc1cc(ccc1I)F 34a_100010084537_100000210303 [0,2,0,0,0,0|0,0,2]=4 9913 B12R1.374 CCCOc1cc(ccc1I)F 7a_100010084537_100000210303 [0,2,0,0,0,0|0,0,2]=4 9914 B12R1.374 CCCOc1cc(ccc1N)Br 34a_100000739049_100000210303 [0,2,0,0,0,0|0,0,2]=4 9915 B12R1.374 CCCOc1cc(ccc1N)Br 7a_100000739049_100000210303 [0,2,0,0,0,0|0,0,2]=4 9916 B12R1.374 CCCOc1cc(ccc1N)C 34a_100000211527_100000210303 [0,2,0,0,0,0|0,0,2]=4 9917 B12R1.374 CCCOc1cc(ccc1N)C 7a_100000211527_100000210303 [0,2,0,0,0,0|0,0,2]=4 9918 B12R1.374 CCCOc1cc(ccc1N)Cl 34a_100000185728_100000210303 [0,2,0,0,0,0|0,0,2]=4 9919 B12R1.374 CCCOc1cc(ccc1N)Cl 7a_100000185728_100000210303 [0,2,0,0,0,0|0,0,2]=4 9920 B12R1.374 CCCOc1cc(ccc1N)F 34a_100000753323_100000210303 [0,2,0,0,0,0|0,0,2]=4 9921 B12R1.374 CCCOc1cc(ccc1N)F 7a_100000753323_100000210303 [0,2,0,0,0,0|0,0,2]=4 9922 B12R1.374 CCCOc1cc(ccc1N)I 34a_100000057187_100000210303 [0,2,0,0,0,0|0,0,2]=4 9923 B12R1.374 CCCOc1cc(ccc1N)I 7a_100000057187_100000210303 [0,2,0,0,0,0|0,0,2]=4 9924 B12R1.374 CCCOc1cc(ccc1N)N 34a_100025717382_100000210303 [0,2,0,0,0,0|0,0,2]=4 9925 B12R1.374 CCCOc1cc(ccc1O)F 271570a_203496583355_200012344540 [0,2,0,0,0,0|0,0,2]=4 9926 B12R1.374 COCOc1cc(ccc1O)C 271570a_203496583355_200023989289 [0,2,0,0,0,0|1,0,1]=4 9927 B12R1.374 COCOc1cc(ccc1O)F 271570a_203496583355_200012568746 [0,2,0,0,0,0|1,0,1]=4 9928 B12R1.374 CSCOc1cc(ccc1Br)Br 34a_100011220040_100011218213 [0,2,0,0,0,0|1,0,1]=4 9929 B12R1.374 CSCOc1cc(ccc1Br)C 34a_100012002257_100011218213 [0,2,0,0,0,0|1,0,1]=4 9930 B12R1.374 CSCOc1cc(ccc1Br)Cl 34a_100012339455_100011218213 [0,2,0,0,0,0|1,0,1]=4 9931 B12R1.374 CSCOc1cc(ccc1Br)F 34a_100000690578_100011218213 [0,2,0,0,0,0|1,0,1]=4 9932 B12R1.374 CSCOc1cc(ccc1Br)I 34a_100012356990_100011218213 [0,2,0,0,0,0|1,0,1]=4 9933 B12R1.374 CSCOc1cc(ccc1C)Br 34a_100000685420_100011218213 [0,2,0,0,0,0|1,0,1]=4 9934 B12R1.374 CSCOc1cc(ccc1C)C 34a_100000210931_100011218213 [0,2,0,0,0,0|1,0,1]=4 9935 B12R1.374 CSCOc1cc(ccc1C)Cl 34a_100000756515_100011218213 [0,2,0,0,0,0|1,0,1]=4 9936 B12R1.374 CSCOc1cc(ccc1C)F 34a_100000690566_100011218213 [0,2,0,0,0,0|1,0,1]=4 9937 B12R1.374 CSCOc1cc(ccc1C)N 34a_100000759471_100011218213 [0,2,0,0,0,0|1,0,1]=4 9938 B12R1.374 CSCOc1cc(ccc1Cl)Br 34a_100000738945_100011218213 [0,2,0,0,0,0|1,0,1]=4 9939 B12R1.374 CSCOc1cc(ccc1Cl)C 34a_100000211493_100011218213 [0,2,0,0,0,0|1,0,1]=4 9940 B12R1.374 CSCOc1cc(ccc1Cl)Cl 34a_100000211422_100011218213 [0,2,0,0,0,0|1,0,1]=4 9941 B12R1.374 CSCOc1cc(ccc1Cl)F 34a_100000692107_100011218213 [0,2,0,0,0,0|1,0,1]=4 9942 B12R1.374 CSCOc1cc(ccc1Cl)I 34a_100011356854_100011218213 [0,2,0,0,0,0|1,0,1]=4 9943 B12R1.374 CSCOc1cc(ccc1Cl)N 34a_100011934209_100011218213 [0,2,0,0,0,0|1,0,1]=4 9944 B12R1.374 CSCOc1cc(ccc1F)Br 34a_100000686035_100011218213 [0,2,0,0,0,0|1,0,1]=4 9945 B12R1.374 CSCOc1cc(ccc1F)C 34a_100000759540_100011218213 [0,2,0,0,0,0|1,0,1]=4 9946 B12R1.374 CSCOc1cc(ccc1F)Cl 34a_100000757397_100011218213 [0,2,0,0,0,0|1,0,1]=4 9947 B12R1.374 CSCOc1cc(ccc1F)F 34a_100000752141_100011218213 [0,2,0,0,0,0|1,0,1]=4 9948 B12R1.374 CSCOc1cc(ccc1F)I 34a_100009958187_100011218213 [0,2,0,0,0,0|1,0,1]=4 9949 B12R1.374 CSCOc1cc(ccc1F)N 34a_100012017398_100011218213 [0,2,0,0,0,0|1,0,1]=4 9950 B12R1.374 CSCOc1cc(ccc1I)Br 34a_100012344904_100011218213 [0,2,0,0,0,0|1,0,1]=4 9951 B12R1.374 CSCOc1cc(ccc1I)Cl 34a_100000050036_100011218213 [0,2,0,0,0,0|1,0,1]=4 9952 B12R1.374 CSCOc1cc(ccc1I)F 34a_100010084537_100011218213 [0,2,0,0,0,0|1,0,1]=4 9953 B12R1.374 CSCOc1cc(ccc1N)Br 34a_100000739049_100011218213 [0,2,0,0,0,0|1,0,1]=4 9954 B12R1.374 CSCOc1cc(ccc1N)C 34a_100000211527_100011218213 [0,2,0,0,0,0|1,0,1]=4 9955 B12R1.374 CSCOc1cc(ccc1N)Cl 34a_100000185728_100011218213 [0,2,0,0,0,0|1,0,1]=4 9956 B12R1.374 CSCOc1cc(ccc1N)F 34a_100000753323_100011218213 [0,2,0,0,0,0|1,0,1]=4 9957 B12R1.374 CSCOc1cc(ccc1N)I 34a_100000057187_100011218213 [0,2,0,0,0,0|1,0,1]=4 9958 B12R1.374 CSCOc1cc(ccc1N)N 34a_100025717382_100011218213 [0,2,0,0,0,0|1,0,1]=4 9959 B12R1.374 Cc1cc(c(cn1)Br)OCC=O 34a_100011016184_200009817547 [0,2,0,0,0,0|2,0,0]=4 9960 B12R1.374 Cc1ccc(c(c1)NCC=O)Br 34a_100000745044_200009817547 [0,2,0,0,0,0|2,0,0]=4 9961 B12R1.374 Cc1ccc(c(c1)NCC=O)C 2230a_100000185781_200015260668 [0,2,0,0,0,0|2,0,0]=4 9962 B12R1.374 Cc1ccc(c(c1)NCC=O)C 34a_100000185781_200009817547 [0,2,0,0,0,0|2,0,0]=4 9963 B12R1.374 Cc1ccc(c(c1)NCC=O)C 7a_100000185781_200015260668 [0,2,0,0,0,0|2,0,0]=4 9964 B12R1.374 Cc1ccc(c(c1)NCC=O)Cl 34a_100011215360_200009817547 [0,2,0,0,0,0|2,0,0]=4 9965 B12R1.374 Cc1ccc(c(c1)NCC=O)F 34a_100000211285_200009817547 [0,2,0,0,0,0|2,0,0]=4 9966 B12R1.374 Cc1ccc(c(c1)NCC=O)I 34a_100011216686_200009817547 [0,2,0,0,0,0|2,0,0]=4 9967 B12R1.374 Cc1ccc(c(c1)NCC=O)O 34a_100011215204_200009817547 [0,2,0,0,0,0|2,0,0]=4 9968 B12R1.374 Cc1ccc(c(c1)OCC#N)Br 7a_100012002257_100011215382 [0,2,0,0,0,0|1,0,1]=4 9969 B12R1.374 Cc1ccc(c(c1)OCC#N)C 7a_100000210931_100011215382 [0,2,0,0,0,0|1,0,1]=4 9970 B12R1.374 Cc1ccc(c(c1)OCC#N)Cl 7a_100000211493_100011215382 [0,2,0,0,0,0|1,0,1]=4 9971 B12R1.374 Cc1ccc(c(c1)OCC#N)F 7a_100000759540_100011215382 [0,2,0,0,0,0|1,0,1]=4 9972 B12R1.374 Cc1ccc(c(c1)OCC#N)N 7a_100000211527_100011215382 [0,2,0,0,0,0|1,0,1]=4 9973 B12R1.374 Cc1ccc(c(c1)OCC=O)Br 34a_100012002257_200009817547 [0,2,0,0,0,0|1,0,0]=3 9974 B12R1.374 Cc1ccc(c(c1)OCC=O)Br 7a_100012002257_200015260668 [0,2,0,0,0,0|1,0,0]=3 9975 B12R1.374 Cc1ccc(c(c1)OCC=O)C 34a_100000210931_200009817547 [0,2,0,0,0,0|1,0,0]=3 9976 B12R1.374 Cc1ccc(c(c1)OCC=O)C 7a_100000210931_200015260668 [0,2,0,0,0,0|1,0,0]=3 9977 B12R1.374 Cc1ccc(c(c1)OCC=O)Cl 34a_100000211493_200009817547 [0,2,0,0,0,0|1,0,0]=3 9978 B12R1.374 Cc1ccc(c(c1)OCC=O)Cl 7a_100000211493_200015260668 [0,2,0,0,0,0|1,0,0]=3 9979 B12R1.374 Cc1ccc(c(c1)OCC=O)F 34a_100000759540_200009817547 [0,2,0,0,0,0|1,0,0]=3 9980 B12R1.374 Cc1ccc(c(c1)OCC=O)F 7a_100000759540_200015260668 [0,2,0,0,0,0|1,0,0]=3 9981 B12R1.374 Cc1ccc(c(c1)OCC=O)N 34a_100000211527_200009817547 [0,2,0,0,0,0|1,0,0]=3 9982 B12R1.374 Cc1ccc(c(c1)OCC=O)N 7a_100000211527_200015260668 [0,2,0,0,0,0|1,0,0]=3 9983 B12R1.374 Cc1ccc(c(c1)OCCF)Br 34a_100012002257_100011217306 [0,2,0,0,0,0|1,0,1]=4 9984 B12R1.374 Cc1ccc(c(c1)OCCF)Br 7a_100012002257_100011217306 [0,2,0,0,0,0|1,0,1]=4 9985 B12R1.374 Cc1ccc(c(c1)OCCF)C 34a_100000210931_100011217306 [0,2,0,0,0,0|1,0,1]=4 9986 B12R1.374 Cc1ccc(c(c1)OCCF)C 7a_100000210931_100011217306 [0,2,0,0,0,0|1,0,1]=4 9987 B12R1.374 Cc1ccc(c(c1)OCCF)Cl 34a_100000211493_100011217306 [0,2,0,0,0,0|1,0,1]=4 9988 B12R1.374 Cc1ccc(c(c1)OCCF)Cl 7a_100000211493_100011217306 [0,2,0,0,0,0|1,0,1]=4 9989 B12R1.374 Cc1ccc(c(c1)OCCF)F 34a_100000759540_100011217306 [0,2,0,0,0,0|1,0,1]=4 9990 B12R1.374 Cc1ccc(c(c1)OCCF)F 7a_100000759540_100011217306 [0,2,0,0,0,0|1,0,1]=4 9991 B12R1.374 Cc1ccc(c(c1)OCCF)N 34a_100000211527_100011217306 [0,2,0,0,0,0|1,0,1]=4 9992 B12R1.374 Cc1ccc(c(c1)OCCF)N 7a_100000211527_100011217306 [0,2,0,0,0,0|1,0,1]=4 9993 B12R1.374 Cc1ccc(c(c1)OCCO)Br 34a_100012002257_100000211926 [0,2,0,0,0,0|1,0,1]=4 9994 B12R1.374 Cc1ccc(c(c1)OCCO)Br 7a_100012002257_100000211926 [0,2,0,0,0,0|1,0,1]=4 9995 B12R1.374 Cc1ccc(c(c1)OCCO)C 34a_100000210931_100000211926 [0,2,0,0,0,0|1,0,1]=4 9996 B12R1.374 Cc1ccc(c(c1)OCCO)C 7a_100000210931_100000211926 [0,2,0,0,0,0|1,0,1]=4 9997 B12R1.374 Cc1ccc(c(c1)OCCO)Cl 34a_100000211493_100000211926 [0,2,0,0,0,0|1,0,1]=4 9998 B12R1.374 Cc1ccc(c(c1)OCCO)Cl 7a_100000211493_100000211926 [0,2,0,0,0,0|1,0,1]=4 9999 B12R1.374 Cc1ccc(c(c1)OCCO)F 34a_100000759540_100000211926 [0,2,0,0,0,0|1,0,1]=4 10000 B12R1.374 Cc1ccc(c(c1)OCCO)F 7a_100000759540_100000211926 [0,2,0,0,0,0|1,0,1]=4 10001 B12R1.374 Cc1ccc(c(c1)OCCO)N 34a_100000211527_100000211926 [0,2,0,0,0,0|1,0,1]=4 10002 B12R1.374 Cc1ccc(c(c1)OCCO)N 7a_100000211527_100000211926 [0,2,0,0,0,0|1,0,1]=4 10003 B12R1.374 Cc1ccc(c(c1)SCC=O)Br 62a_100012353751_200015260668 [0,2,0,0,0,0|1,1,0]=4 10004 B12R1.374 Cc1ccc(c(c1)SCC=O)Br 62a_200015260668_100012353751 [0,2,0,0,0,0|1,1,0]=4 10005 B12R1.374 Cc1ccc(c(c1)SCC=O)C 62a_100000210833_200015260668 [0,2,0,0,0,0|1,1,0]=4 10006 B12R1.374 Cc1ccc(c(c1)SCC=O)C 62a_200015260668_100000210833 [0,2,0,0,0,0|1,1,0]=4 10007 B12R1.374 Cc1ccc(c(c1)SCC=O)Cl 62a_100012356289_200015260668 [0,2,0,0,0,0|1,1,0]=4 10008 B12R1.374 Cc1ccc(c(c1)SCC=O)Cl 62a_200015260668_100012356289 [0,2,0,0,0,0|1,1,0]=4 10009 B12R1.374 Cc1ccc(c(c1)SCC=O)F 62a_100000736223_200015260668 [0,2,0,0,0,0|1,1,0]=4 10010 B12R1.374 Cc1ccc(c(c1)SCC=O)F 62a_200015260668_100000736223 [0,2,0,0,0,0|1,1,0]=4 10011 B12R1.374 Cc1ccc(c(c1)SCC=O)N 62a_100011356834_200015260668 [0,2,0,0,0,0|1,1,0]=4 10012 B12R1.374 Cc1ccc(c(c1)SCC=O)N 62a_200015260668_100011356834 [0,2,0,0,0,0|1,1,0]=4 10013 B12R1.374 Cc1ccc(c(c1)SCC=O)O 62a_100000765521_200015260668 [0,2,0,0,0,0|1,1,0]=4 10014 B12R1.374 Cc1ccc(c(c1)SCC=O)O 62a_200015260668_100000765521 [0,2,0,0,0,0|1,1,0]=4 10015 B12R1.374 Cc1ccc(c(n1)OCC=O)Br 34a_100009817604_200009817547 [0,2,0,0,0,0|2,0,0]=4 10016 B12R1.374 Cc1ccc(c(n1)OCC=O)N 34a_100000687486_200009817547 [0,2,0,0,0,0|2,0,0]=4 10017 B12R1.374 Cc1ccc(cc1NCC=O)Br 34a_100000741167_200009817547 [0,2,0,0,0,0|2,0,0]=4 10018 B12R1.374 Cc1ccc(cc1NCC=O)Br 7a_100000741167_200015260668 [0,2,0,0,0,0|2,0,0]=4 10019 B12R1.374 Cc1ccc(cc1NCC=O)Cl 34a_100000211374_200009817547 [0,2,0,0,0,0|2,0,0]=4 10020 B12R1.374 Cc1ccc(cc1NCC=O)Cl 7a_100000211374_200015260668 [0,2,0,0,0,0|2,0,0]=4 10021 B12R1.374 Cc1ccc(cc1NCC=O)F 34a_100000211107_200009817547 [0,2,0,0,0,0|2,0,0]=4 10022 B12R1.374 Cc1ccc(cc1NCC=O)F 7a_100000211107_200015260668 [0,2,0,0,0,0|2,0,0]=4 10023 B12R1.374 Cc1ccc(cc1NCC=O)I 7a_100000761890_200015260668 [0,2,0,0,0,0|2,0,0]=4 10024 B12R1.374 Cc1ccc(cc1NCC=O)O 34a_100011216113_200009817547 [0,2,0,0,0,0|2,0,0]=4 10025 B12R1.374 Cc1ccc(cc1OCC#N)Br 7a_100000685420_100011215382 [0,2,0,0,0,0|1,0,1]=4 10026 B12R1.374 Cc1ccc(cc1OCC#N)Cl 7a_100000756515_100011215382 [0,2,0,0,0,0|1,0,1]=4 10027 B12R1.374 Cc1ccc(cc1OCC#N)F 7a_100000690566_100011215382 [0,2,0,0,0,0|1,0,1]=4 10028 B12R1.374 Cc1ccc(cc1OCC#N)I 7a_100000766334_100011215382 [0,2,0,0,0,0|1,0,1]=4 10029 B12R1.374 Cc1ccc(cc1OCC#N)N 7a_100000759471_100011215382 [0,2,0,0,0,0|1,0,1]=4 10030 B12R1.374 Cc1ccc(cc1OCC=O)Br 34a_100000685420_200009817547 [0,2,0,0,0,0|1,0,0]=3 10031 B12R1.374 Cc1ccc(cc1OCC=O)Br 7a_100000685420_200015260668 [0,2,0,0,0,0|1,0,0]=3 10032 B12R1.374 Cc1ccc(cc1OCC=O)Cl 34a_100000756515_200009817547 [0,2,0,0,0,0|1,0,0]=3 10033 B12R1.374 Cc1ccc(cc1OCC=O)Cl 7a_100000756515_200015260668 [0,2,0,0,0,0|1,0,0]=3 10034 B12R1.374 Cc1ccc(cc1OCC=O)F 34a_100000690566_200009817547 [0,2,0,0,0,0|1,0,0]=3 10035 B12R1.374 Cc1ccc(cc1OCC=O)F 7a_100000690566_200015260668 [0,2,0,0,0,0|1,0,0]=3 10036 B12R1.374 Cc1ccc(cc1OCC=O)I 7a_100000766334_200015260668 [0,2,0,0,0,0|1,0,0]=3 10037 B12R1.374 Cc1ccc(cc1OCC=O)N 34a_100000759471_200009817547 [0,2,0,0,0,0|1,0,0]=3 10038 B12R1.374 Cc1ccc(cc1OCC=O)N 7a_100000759471_200015260668 [0,2,0,0,0,0|1,0,0]=3 10039 B12R1.374 Cc1ccc(cc1OCCF)Br 34a_100000685420_100011217306 [0,2,0,0,0,0|1,0,1]=4 10040 B12R1.374 Cc1ccc(cc1OCCF)Br 7a_100000685420_100011217306 [0,2,0,0,0,0|1,0,1]=4 10041 B12R1.374 Cc1ccc(cc1OCCF)Cl 34a_100000756515_100011217306 [0,2,0,0,0,0|1,0,1]=4 10042 B12R1.374 Cc1ccc(cc1OCCF)Cl 7a_100000756515_100011217306 [0,2,0,0,0,0|1,0,1]=4 10043 B12R1.374 Cc1ccc(cc1OCCF)F 34a_100000690566_100011217306 [0,2,0,0,0,0|1,0,1]=4 10044 B12R1.374 Cc1ccc(cc1OCCF)F 7a_100000690566_100011217306 [0,2,0,0,0,0|1,0,1]=4 10045 B12R1.374 Cc1ccc(cc1OCCF)I 7a_100000766334_100011217306 [0,2,0,0,0,0|1,0,1]=4 10046 B12R1.374 Cc1ccc(cc1OCCF)N 34a_100000759471_100011217306 [0,2,0,0,0,0|1,0,1]=4 10047 B12R1.374 Cc1ccc(cc1OCCF)N 7a_100000759471_100011217306 [0,2,0,0,0,0|1,0,1]=4 10048 B12R1.374 Cc1ccc(cc1OCCO)Br 34a_100000685420_100000211926 [0,2,0,0,0,0|1,0,1]=4 10049 B12R1.374 Cc1ccc(cc1OCCO)Br 7a_100000685420_100000211926 [0,2,0,0,0,0|1,0,1]=4 10050 B12R1.374 Cc1ccc(cc1OCCO)Cl 34a_100000756515_100000211926 [0,2,0,0,0,0|1,0,1]=4 10051 B12R1.374 Cc1ccc(cc1OCCO)Cl 7a_100000756515_100000211926 [0,2,0,0,0,0|1,0,1]=4 10052 B12R1.374 Cc1ccc(cc1OCCO)F 34a_100000690566_100000211926 [0,2,0,0,0,0|1,0,1]=4 10053 B12R1.374 Cc1ccc(cc1OCCO)F 7a_100000690566_100000211926 [0,2,0,0,0,0|1,0,1]=4 10054 B12R1.374 Cc1ccc(cc1OCCO)I 7a_100000766334_100000211926 [0,2,0,0,0,0|1,0,1]=4 10055 B12R1.374 Cc1ccc(cc1OCCO)N 34a_100000759471_100000211926 [0,2,0,0,0,0|1,0,1]=4 10056 B12R1.374 Cc1ccc(cc1OCCO)N 7a_100000759471_100000211926 [0,2,0,0,0,0|1,0,1]=4 10057 B12R1.374 Cc1ccc(cc1SCC=O)Br 62a_100011344865_200015260668 [0,2,0,0,0,0|1,1,0]=4 10058 B12R1.374 Cc1ccc(cc1SCC=O)Br 62a_200015260668_100011344865 [0,2,0,0,0,0|1,1,0]=4 10059 B12R1.374 Cc1ccc(cc1SCC=O)Cl 62a_100011263213_200015260668 [0,2,0,0,0,0|1,1,0]=4 10060 B12R1.374 Cc1ccc(cc1SCC=O)Cl 62a_200015260668_100011263213 [0,2,0,0,0,0|1,1,0]=4 10061 B12R1.374 Cc1ccc(cc1SCC=O)F 62a_100011218078_200015260668 [0,2,0,0,0,0|1,1,0]=4 10062 B12R1.374 Cc1ccc(cc1SCC=O)F 62a_200015260668_100011218078 [0,2,0,0,0,0|1,1,0]=4 10063 B12R1.374 Cc1ccc(cc1SCC=O)N 62a_100000736455_200015260668 [0,2,0,0,0,0|1,1,0]=4 10064 B12R1.374 Cc1ccc(cc1SCC=O)N 62a_200015260668_100000736455 [0,2,0,0,0,0|1,1,0]=4 10065 B12R1.374 Cc1ccc(cc1SCC=O)O 62a_100011380479_200015260668 [0,2,0,0,0,0|1,1,0]=4 10066 B12R1.374 Cc1ccc(cc1SCC=O)O 62a_200015260668_100011380479 [0,2,0,0,0,0|1,1,0]=4 10067 B12R1.374 Cc1cnc(c(c1)OCC=O)Cl 34a_100012000487_200009817547 [0,2,0,0,0,0|2,0,0]=4 10068 B12R1.374 Cc1cnc(c(c1)OCC=O)Cl 7a_100012000487_200015260668 [0,2,0,0,0,0|2,0,0]=4 10069 B12R1.374 Cc1cnc(c(c1)OCC=O)F 34a_100009849810_200009817547 [0,2,0,0,0,0|2,0,0]=4 10070 B12R1.374 Cc1cnc(c(c1)OCC=O)F 7a_100009849810_200015260668 [0,2,0,0,0,0|2,0,0]=4 10071 B12R1.374 Cc1cnc(cc1OCC=O)Br 34a_100000704368_200009817547 [0,2,0,0,0,0|2,0,0]=4 10072 B12R1.374 Cc1cnc(cc1OCC=O)Br 7a_100000704368_200015260668 [0,2,0,0,0,0|2,0,0]=4 10073 B12R1.374 Cc1ncc(cc1OCC=O)Br 34a_100009864810_200009817547 [0,2,0,0,0,0|2,0,0]=4 10074 B12R1.374 Cc1ncc(cc1OCC=O)Br 7a_100009864810_200015260668 [0,2,0,0,0,0|2,0,0]=4 10075 B12R1.374 FCCOc1cc(ccc1Br)Br 34a_100011220040_100011217306 [0,2,0,0,0,0|1,0,1]=4 10076 B12R1.374 FCCOc1cc(ccc1Br)Br 7a_100011220040_100011217306 [0,2,0,0,0,0|1,0,1]=4 10077 B12R1.374 FCCOc1cc(ccc1Br)Cl 34a_100012339455_100011217306 [0,2,0,0,0,0|1,0,1]=4 10078 B12R1.374 FCCOc1cc(ccc1Br)Cl 7a_100012339455_100011217306 [0,2,0,0,0,0|1,0,1]=4 10079 B12R1.374 FCCOc1cc(ccc1Br)F 34a_100000690578_100011217306 [0,2,0,0,0,0|1,0,1]=4 10080 B12R1.374 FCCOc1cc(ccc1Br)F 7a_100000690578_100011217306 [0,2,0,0,0,0|1,0,1]=4 10081 B12R1.374 FCCOc1cc(ccc1Br)I 34a_100012356990_100011217306 [0,2,0,0,0,0|1,0,1]=4 10082 B12R1.374 FCCOc1cc(ccc1Br)I 7a_100012356990_100011217306 [0,2,0,0,0,0|1,0,1]=4 10083 B12R1.374 FCCOc1cc(ccc1Cl)Br 34a_100000738945_100011217306 [0,2,0,0,0,0|1,0,1]=4 10084 B12R1.374 FCCOc1cc(ccc1Cl)Br 7a_100000738945_100011217306 [0,2,0,0,0,0|1,0,1]=4 10085 B12R1.374 FCCOc1cc(ccc1Cl)Cl 34a_100000211422_100011217306 [0,2,0,0,0,0|1,0,1]=4 10086 B12R1.374 FCCOc1cc(ccc1Cl)Cl 7a_100000211422_100011217306 [0,2,0,0,0,0|1,0,1]=4 10087 B12R1.374 FCCOc1cc(ccc1Cl)F 34a_100000692107_100011217306 [0,2,0,0,0,0|1,0,1]=4 10088 B12R1.374 FCCOc1cc(ccc1Cl)F 7a_100000692107_100011217306 [0,2,0,0,0,0|1,0,1]=4 10089 B12R1.374 FCCOc1cc(ccc1Cl)I 34a_100011356854_100011217306 [0,2,0,0,0,0|1,0,1]=4 10090 B12R1.374 FCCOc1cc(ccc1Cl)I 7a_100011356854_100011217306 [0,2,0,0,0,0|1,0,1]=4 10091 B12R1.374 FCCOc1cc(ccc1F)Br 34a_100000686035_100011217306 [0,2,0,0,0,0|1,0,1]=4 10092 B12R1.374 FCCOc1cc(ccc1F)Br 7a_100000686035_100011217306 [0,2,0,0,0,0|1,0,1]=4 10093 B12R1.374 FCCOc1cc(ccc1F)Cl 34a_100000757397_100011217306 [0,2,0,0,0,0|1,0,1]=4 10094 B12R1.374 FCCOc1cc(ccc1F)Cl 7a_100000757397_100011217306 [0,2,0,0,0,0|1,0,1]=4 10095 B12R1.374 FCCOc1cc(ccc1F)F 34a_100000752141_100011217306 [0,2,0,0,0,0|1,0,1]=4 10096 B12R1.374 FCCOc1cc(ccc1F)F 7a_100000752141_100011217306 [0,2,0,0,0,0|1,0,1]=4 10097 B12R1.374 FCCOc1cc(ccc1F)I 34a_100009958187_100011217306 [0,2,0,0,0,0|1,0,1]=4 10098 B12R1.374 FCCOc1cc(ccc1F)I 7a_100009958187_100011217306 [0,2,0,0,0,0|1,0,1]=4 10099 B12R1.374 FCCOc1cc(ccc1I)Br 34a_100012344904_100011217306 [0,2,0,0,0,0|1,0,1]=4 10100 B12R1.374 FCCOc1cc(ccc1I)Br 7a_100012344904_100011217306 [0,2,0,0,0,0|1,0,1]=4 10101 B12R1.374 FCCOc1cc(ccc1I)Cl 34a_100000050036_100011217306 [0,2,0,0,0,0|1,0,1]=4 10102 B12R1.374 FCCOc1cc(ccc1I)Cl 7a_100000050036_100011217306 [0,2,0,0,0,0|1,0,1]=4 10103 B12R1.374 FCCOc1cc(ccc1I)F 34a_100010084537_100011217306 [0,2,0,0,0,0|1,0,1]=4 10104 B12R1.374 FCCOc1cc(ccc1I)F 7a_100010084537_100011217306 [0,2,0,0,0,0|1,0,1]=4 10105 B12R1.374 N#CCOc1cc(ccc1Br)Br 7a_100011220040_100011215382 [0,2,0,0,0,0|1,0,1]=4 10106 B12R1.374 N#CCOc1cc(ccc1Br)Cl 7a_100012339455_100011215382 [0,2,0,0,0,0|1,0,1]=4 10107 B12R1.374 N#CCOc1cc(ccc1Br)F 7a_100000690578_100011215382 [0,2,0,0,0,0|1,0,1]=4 10108 B12R1.374 N#CCOc1cc(ccc1Br)I 7a_100012356990_100011215382 [0,2,0,0,0,0|1,0,1]=4 10109 B12R1.374 N#CCOc1cc(ccc1Cl)Br 7a_100000738945_100011215382 [0,2,0,0,0,0|1,0,1]=4 10110 B12R1.374 N#CCOc1cc(ccc1Cl)Cl 7a_100000211422_100011215382 [0,2,0,0,0,0|1,0,1]=4 10111 B12R1.374 N#CCOc1cc(ccc1Cl)F 7a_100000692107_100011215382 [0,2,0,0,0,0|1,0,1]=4 10112 B12R1.374 N#CCOc1cc(ccc1Cl)I 7a_100011356854_100011215382 [0,2,0,0,0,0|1,0,1]=4 10113 B12R1.374 N#CCOc1cc(ccc1F)Br 7a_100000686035_100011215382 [0,2,0,0,0,0|1,0,1]=4 10114 B12R1.374 N#CCOc1cc(ccc1F)Cl 7a_100000757397_100011215382 [0,2,0,0,0,0|1,0,1]=4 10115 B12R1.374 N#CCOc1cc(ccc1F)F 7a_100000752141_100011215382 [0,2,0,0,0,0|1,0,1]=4 10116 B12R1.374 N#CCOc1cc(ccc1F)I 7a_100009958187_100011215382 [0,2,0,0,0,0|1,0,1]=4 10117 B12R1.374 N#CCOc1cc(ccc1F)N 7a_100012017398_100011215382 [0,2,0,0,0,0|1,0,1]=4 10118 B12R1.374 N#CCOc1cc(ccc1I)Br 7a_100012344904_100011215382 [0,2,0,0,0,0|1,0,1]=4 10119 B12R1.374 N#CCOc1cc(ccc1I)Cl 7a_100000050036_100011215382 [0,2,0,0,0,0|1,0,1]=4 10120 B12R1.374 N#CCOc1cc(ccc1I)F 7a_100010084537_100011215382 [0,2,0,0,0,0|1,0,1]=4 10121 B12R1.374 N#CCOc1cc(ccc1N)Br 7a_100000739049_100011215382 [0,2,0,0,0,0|1,0,1]=4 10122 B12R1.374 N#CCOc1cc(ccc1N)Cl 7a_100000185728_100011215382 [0,2,0,0,0,0|1,0,1]=4 10123 B12R1.374 N#CCOc1cc(ccc1N)F 7a_100000753323_100011215382 [0,2,0,0,0,0|1,0,1]=4 10124 B12R1.374 N#CCOc1cc(ccc1N)I 7a_100000057187_100011215382 [0,2,0,0,0,0|1,0,1]=4 10125 B12R1.374 Nc1ccc(c(c1)OCC=O)Cl 34a_100011934209_200009817547 [0,2,0,0,0,0|1,0,0]=3 10126 B12R1.374 Nc1ccc(c(c1)OCC=O)F 34a_100012017398_200009817547 [0,2,0,0,0,0|1,0,0]=3 10127 B12R1.374 Nc1ccc(c(c1)OCC=O)F 7a_100012017398_200015260668 [0,2,0,0,0,0|1,0,0]=3 10128 B12R1.374 Nc1ccc(c(c1)OCC=O)N 34a_100025717382_200009817547 [0,2,0,0,0,0|1,0,0]=3 10129 B12R1.374 Nc1ccc(c(c1)OCCF)Cl 34a_100011934209_100011217306 [0,2,0,0,0,0|1,0,1]=4 10130 B12R1.374 Nc1ccc(c(c1)OCCF)F 34a_100012017398_100011217306 [0,2,0,0,0,0|1,0,1]=4 10131 B12R1.374 Nc1ccc(c(c1)OCCF)F 7a_100012017398_100011217306 [0,2,0,0,0,0|1,0,1]=4 10132 B12R1.374 Nc1ccc(c(c1)OCCF)N 34a_100025717382_100011217306 [0,2,0,0,0,0|1,0,1]=4 10133 B12R1.374 Nc1ccc(c(c1)OCCO)Cl 34a_100011934209_100000211926 [0,2,0,0,0,0|1,0,1]=4 10134 B12R1.374 Nc1ccc(c(c1)OCCO)F 34a_100012017398_100000211926 [0,2,0,0,0,0|1,0,1]=4 10135 B12R1.374 Nc1ccc(c(c1)OCCO)F 7a_100012017398_100000211926 [0,2,0,0,0,0|1,0,1]=4 10136 B12R1.374 Nc1ccc(c(c1)OCCO)N 34a_100025717382_100000211926 [0,2,0,0,0,0|1,0,1]=4 10137 B12R1.374 Nc1ccc(c(c1)SCC=O)Br 62a_100000750459_200015260668 [0,2,0,0,0,0|1,1,0]=4 10138 B12R1.374 Nc1ccc(c(c1)SCC=O)Br 62a_200015260668_100000750459 [0,2,0,0,0,0|1,1,0]=4 10139 B12R1.374 Nc1ccc(c(c1)SCC=O)Cl 62a_100012360549_200015260668 [0,2,0,0,0,0|1,1,0]=4 10140 B12R1.374 Nc1ccc(c(c1)SCC=O)Cl 62a_200015260668_100012360549 [0,2,0,0,0,0|1,1,0]=4 10141 B12R1.374 Nc1ccc(c(c1)SCC=O)F 62a_100000760356_200015260668 [0,2,0,0,0,0|1,1,0]=4 10142 B12R1.374 Nc1ccc(c(c1)SCC=O)F 62a_200015260668_100000760356 [0,2,0,0,0,0|1,1,0]=4 10143 B12R1.374 Nc1ccc(c(c1)SCC=O)N 62a_100011534242_200015260668 [0,2,0,0,0,0|1,1,0]=4 10144 B12R1.374 Nc1ccc(c(c1)SCC=O)N 62a_200015260668_100011534242 [0,2,0,0,0,0|1,1,0]=4 10145 B12R1.374 Nc1ccc(c(c1)SCC=O)O 62a_100011534360_200015260668 [0,2,0,0,0,0|1,1,0]=4 10146 B12R1.374 Nc1ccc(c(c1)SCC=O)O 62a_200015260668_100011534360 [0,2,0,0,0,0|1,1,0]=4 10147 B12R1.374 Nc1ccc(cc1OCC=O)Br 34a_100000739049_200009817547 [0,2,0,0,0,0|1,0,0]=3 10148 B12R1.374 Nc1ccc(cc1OCC=O)Br 7a_100000739049_200015260668 [0,2,0,0,0,0|1,0,0]=3 10149 B12R1.374 Nc1ccc(cc1OCC=O)Cl 34a_100000185728_200009817547 [0,2,0,0,0,0|1,0,0]=3 10150 B12R1.374 Nc1ccc(cc1OCC=O)Cl 7a_100000185728_200015260668 [0,2,0,0,0,0|1,0,0]=3 10151 B12R1.374 Nc1ccc(cc1OCC=O)F 34a_100000753323_200009817547 [0,2,0,0,0,0|1,0,0]=3 10152 B12R1.374 Nc1ccc(cc1OCC=O)F 7a_100000753323_200015260668 [0,2,0,0,0,0|1,0,0]=3 10153 B12R1.374 Nc1ccc(cc1OCC=O)I 34a_100000057187_200009817547 [0,2,0,0,0,0|1,0,0]=3 10154 B12R1.374 Nc1ccc(cc1OCC=O)I 7a_100000057187_200015260668 [0,2,0,0,0,0|1,0,0]=3 10155 B12R1.374 Nc1ccc(cc1OCCF)Br 34a_100000739049_100011217306 [0,2,0,0,0,0|1,0,1]=4 10156 B12R1.374 Nc1ccc(cc1OCCF)Br 7a_100000739049_100011217306 [0,2,0,0,0,0|1,0,1]=4 10157 B12R1.374 Nc1ccc(cc1OCCF)Cl 34a_100000185728_100011217306 [0,2,0,0,0,0|1,0,1]=4 10158 B12R1.374 Nc1ccc(cc1OCCF)Cl 7a_100000185728_100011217306 [0,2,0,0,0,0|1,0,1]=4 10159 B12R1.374 Nc1ccc(cc1OCCF)F 34a_100000753323_100011217306 [0,2,0,0,0,0|1,0,1]=4 10160 B12R1.374 Nc1ccc(cc1OCCF)F 7a_100000753323_100011217306 [0,2,0,0,0,0|1,0,1]=4 10161 B12R1.374 Nc1ccc(cc1OCCF)I 34a_100000057187_100011217306 [0,2,0,0,0,0|1,0,1]=4 10162 B12R1.374 Nc1ccc(cc1OCCF)I 7a_100000057187_100011217306 [0,2,0,0,0,0|1,0,1]=4 10163 B12R1.374 Nc1ccc(cc1OCCO)Br 34a_100000739049_100000211926 [0,2,0,0,0,0|1,0,1]=4 10164 B12R1.374 Nc1ccc(cc1OCCO)Br 7a_100000739049_100000211926 [0,2,0,0,0,0|1,0,1]=4 10165 B12R1.374 Nc1ccc(cc1OCCO)Cl 34a_100000185728_100000211926 [0,2,0,0,0,0|1,0,1]=4 10166 B12R1.374 Nc1ccc(cc1OCCO)Cl 7a_100000185728_100000211926 [0,2,0,0,0,0|1,0,1]=4 10167 B12R1.374 Nc1ccc(cc1OCCO)F 34a_100000753323_100000211926 [0,2,0,0,0,0|1,0,1]=4 10168 B12R1.374 Nc1ccc(cc1OCCO)F 7a_100000753323_100000211926 [0,2,0,0,0,0|1,0,1]=4 10169 B12R1.374 Nc1ccc(cc1OCCO)I 34a_100000057187_100000211926 [0,2,0,0,0,0|1,0,1]=4 10170 B12R1.374 Nc1ccc(cc1OCCO)I 7a_100000057187_100000211926 [0,2,0,0,0,0|1,0,1]=4 10171 B12R1.374 Nc1ccc(cc1SCC=O)Br 62a_100000187925_200015260668 [0,2,0,0,0,0|1,1,0]=4 10172 B12R1.374 Nc1ccc(cc1SCC=O)Br 62a_200015260668_100000187925 [0,2,0,0,0,0|1,1,0]=4 10173 B12R1.374 Nc1ccc(cc1SCC=O)Cl 62a_100000761889_200015260668 [0,2,0,0,0,0|1,1,0]=4 10174 B12R1.374 Nc1ccc(cc1SCC=O)Cl 62a_200015260668_100000761889 [0,2,0,0,0,0|1,1,0]=4 10175 B12R1.374 Nc1ccc(cc1SCC=O)F 62a_100000760547_200015260668 [0,2,0,0,0,0|1,1,0]=4 10176 B12R1.374 Nc1ccc(cc1SCC=O)F 62a_200015260668_100000760547 [0,2,0,0,0,0|1,1,0]=4 10177 B12R1.374 Nc1ccc(cc1SCC=O)O 62a_100012001276_200015260668 [0,2,0,0,0,0|1,1,0]=4 10178 B12R1.374 Nc1ccc(cc1SCC=O)O 62a_200015260668_100012001276 [0,2,0,0,0,0|1,1,0]=4 10179 B12R1.374 Nc1ncc(cc1OCC=O)Br 34a_100009819042_200009817547 [0,2,0,0,0,0|2,0,0]=4 10180 B12R1.374 Nc1ncc(cc1OCC=O)Br 7a_100009819042_200015260668 [0,2,0,0,0,0|2,0,0]=4 10181 B12R1.374 Nc1ncc(cc1OCC=O)Cl 34a_100000123674_200009817547 [0,2,0,0,0,0|2,0,0]=4 10182 B12R1.374 Nc1ncc(cc1OCC=O)Cl 7a_100000123674_200015260668 [0,2,0,0,0,0|2,0,0]=4 10183 B12R1.374 Nc1ncc(cc1OCC=O)F 34a_100000094369_200009817547 [0,2,0,0,0,0|2,0,0]=4 10184 B12R1.374 Nc1ncc(cc1OCC=O)F 7a_100000094369_200015260668 [0,2,0,0,0,0|2,0,0]=4 10185 B12R1.374 O=CCNc1cc(ccc1Br)Br 34a_100000737762_200009817547 [0,2,0,0,0,0|2,0,0]=4 10186 B12R1.374 O=CCNc1cc(ccc1Br)Cl 34a_100000687073_200009817547 [0,2,0,0,0,0|2,0,0]=4 10187 B12R1.374 O=CCNc1cc(ccc1Br)F 34a_100000687223_200009817547 [0,2,0,0,0,0|2,0,0]=4 10188 B12R1.374 O=CCNc1cc(ccc1Br)O 34a_100011999798_200009817547 [0,2,0,0,0,0|2,0,0]=4 10189 B12R1.374 O=CCNc1cc(ccc1Cl)Br 34a_100000750497_200009817547 [0,2,0,0,0,0|2,0,0]=4 10190 B12R1.374 O=CCNc1cc(ccc1Cl)Cl 34a_100000184485_200009817547 [0,2,0,0,0,0|2,0,0]=4 10191 B12R1.374 O=CCNc1cc(ccc1Cl)F 34a_100000751338_200009817547 [0,2,0,0,0,0|2,0,0]=4 10192 B12R1.374 O=CCNc1cc(ccc1Cl)I 34a_200000761891_200009817547 [0,2,0,0,0,0|2,0,0]=4 10193 B12R1.374 O=CCNc1cc(ccc1Cl)O 34a_100011934297_200009817547 [0,2,0,0,0,0|2,0,0]=4 10194 B12R1.374 O=CCNc1cc(ccc1F)Br 34a_100000740924_200009817547 [0,2,0,0,0,0|2,0,0]=4 10195 B12R1.374 O=CCNc1cc(ccc1F)Cl 34a_100000212115_200009817547 [0,2,0,0,0,0|2,0,0]=4 10196 B12R1.374 O=CCNc1cc(ccc1F)F 34a_100000210742_200009817547 [0,2,0,0,0,0|2,0,0]=4 10197 B12R1.374 O=CCNc1cc(ccc1F)I 34a_100011464823_200009817547 [0,2,0,0,0,0|2,0,0]=4 10198 B12R1.374 O=CCNc1cc(ccc1F)O 34a_100012017239_200009817547 [0,2,0,0,0,0|2,0,0]=4 10199 B12R1.374 O=CCNc1cc(ccc1I)Br 34a_100000743836_200009817547 [0,2,0,0,0,0|2,0,0]=4 10200 B12R1.374 O=CCNc1cc(ccc1I)Cl 34a_100000761886_200009817547 [0,2,0,0,0,0|2,0,0]=4 10201 B12R1.374 O=CCNc1cc(ccc1I)F 34a_100011218093_200009817547 [0,2,0,0,0,0|2,0,0]=4 10202 B12R1.374 O=CCNc1cc(ccc1O)Br 34a_100000752626_200009817547 [0,2,0,0,0,0|2,0,0]=4 10203 B12R1.374 O=CCNc1cc(ccc1O)Cl 34a_100000210500_200009817547 [0,2,0,0,0,0|2,0,0]=4 10204 B12R1.374 O=CCNc1cc(ccc1O)F 34a_100000759472_200009817547 [0,2,0,0,0,0|2,0,0]=4 10205 B12R1.374 O=CCOc1cc(=O)[nH]cc1Cl 34a_100000069390_200009817547 [0,2,0,0,0,0|2,0,0]=4 10206 B12R1.374 O=CCOc1cc(ccc1Br)Br 34a_100011220040_200009817547 [0,2,0,0,0,0|1,0,0]=3 10207 B12R1.374 O=CCOc1cc(ccc1Br)Br 7a_100011220040_200015260668 [0,2,0,0,0,0|1,0,0]=3 10208 B12R1.374 O=CCOc1cc(ccc1Br)Cl 34a_100012339455_200009817547 [0,2,0,0,0,0|1,0,0]=3 10209 B12R1.374 O=CCOc1cc(ccc1Br)Cl 7a_100012339455_200015260668 [0,2,0,0,0,0|1,0,0]=3 10210 B12R1.374 O=CCOc1cc(ccc1Br)F 34a_100000690578_200009817547 [0,2,0,0,0,0|1,0,0]=3 10211 B12R1.374 O=CCOc1cc(ccc1Br)F 7a_100000690578_200015260668 [0,2,0,0,0,0|1,0,0]=3 10212 B12R1.374 O=CCOc1cc(ccc1Br)I 34a_100012356990_200009817547 [0,2,0,0,0,0|1,0,0]=3 10213 B12R1.374 O=CCOc1cc(ccc1Br)I 7a_100012356990_200015260668 [0,2,0,0,0,0|1,0,0]=3 10214 B12R1.374 O=CCOc1cc(ccc1Cl)Br 34a_100000738945_200009817547 [0,2,0,0,0,0|1,0,0]=3 10215 B12R1.374 O=CCOc1cc(ccc1Cl)Br 7a_100000738945_200015260668 [0,2,0,0,0,0|1,0,0]=3 10216 B12R1.374 O=CCOc1cc(ccc1Cl)Cl 34a_100000211422_200009817547 [0,2,0,0,0,0|1,0,0]=3 10217 B12R1.374 O=CCOc1cc(ccc1Cl)Cl 7a_100000211422_200015260668 [0,2,0,0,0,0|1,0,0]=3 10218 B12R1.374 O=CCOc1cc(ccc1Cl)F 34a_100000692107_200009817547 [0,2,0,0,0,0|1,0,0]=3 10219 B12R1.374 O=CCOc1cc(ccc1Cl)F 7a_100000692107_200015260668 [0,2,0,0,0,0|1,0,0]=3 10220 B12R1.374 O=CCOc1cc(ccc1Cl)I 34a_100011356854_200009817547 [0,2,0,0,0,0|1,0,0]=3 10221 B12R1.374 O=CCOc1cc(ccc1Cl)I 7a_100011356854_200015260668 [0,2,0,0,0,0|1,0,0]=3 10222 B12R1.374 O=CCOc1cc(ccc1F)Br 34a_100000686035_200009817547 [0,2,0,0,0,0|1,0,0]=3 10223 B12R1.374 O=CCOc1cc(ccc1F)Br 7a_100000686035_200015260668 [0,2,0,0,0,0|1,0,0]=3 10224 B12R1.374 O=CCOc1cc(ccc1F)Cl 34a_100000757397_200009817547 [0,2,0,0,0,0|1,0,0]=3 10225 B12R1.374 O=CCOc1cc(ccc1F)Cl 7a_100000757397_200015260668 [0,2,0,0,0,0|1,0,0]=3 10226 B12R1.374 O=CCOc1cc(ccc1F)F 34a_100000752141_200009817547 [0,2,0,0,0,0|1,0,0]=3 10227 B12R1.374 O=CCOc1cc(ccc1F)F 7a_100000752141_200015260668 [0,2,0,0,0,0|1,0,0]=3 10228 B12R1.374 O=CCOc1cc(ccc1F)I 34a_100009958187_200009817547 [0,2,0,0,0,0|1,0,0]=3 10229 B12R1.374 O=CCOc1cc(ccc1F)I 7a_100009958187_200015260668 [0,2,0,0,0,0|1,0,0]=3 10230 B12R1.374 O=CCOc1cc(ccc1I)Br 34a_100012344904_200009817547 [0,2,0,0,0,0|1,0,0]=3 10231 B12R1.374 O=CCOc1cc(ccc1I)Br 7a_100012344904_200015260668 [0,2,0,0,0,0|1,0,0]=3 10232 B12R1.374 O=CCOc1cc(ccc1I)Cl 34a_100000050036_200009817547 [0,2,0,0,0,0|1,0,0]=3 10233 B12R1.374 O=CCOc1cc(ccc1I)Cl 7a_100000050036_200015260668 [0,2,0,0,0,0|1,0,0]=3 10234 B12R1.374 O=CCOc1cc(ccc1I)F 34a_100010084537_200009817547 [0,2,0,0,0,0|1,0,0]=3 10235 B12R1.374 O=CCOc1cc(ccc1I)F 7a_100010084537_200015260668 [0,2,0,0,0,0|1,0,0]=3 10236 B12R1.374 O=CCOc1cc(cnc1Br)Cl 34a_100000697010_200009817547 [0,2,0,0,0,0|2,0,0]=4 10237 B12R1.374 O=CCOc1cc(cnc1Br)Cl 7a_100000697010_200015260668 [0,2,0,0,0,0|2,0,0]=4 10238 B12R1.374 O=CCOc1cc(cnc1Br)F 34a_100009820119_200009817547 [0,2,0,0,0,0|2,0,0]=4 10239 B12R1.374 O=CCOc1cc(cnc1Br)F 7a_100009820119_200015260668 [0,2,0,0,0,0|2,0,0]=4 10240 B12R1.374 O=CCOc1cc(cnc1Cl)Br 34a_100012354860_200009817547 [0,2,0,0,0,0|2,0,0]=4 10241 B12R1.374 O=CCOc1cc(cnc1Cl)Br 7a_100012354860_200015260668 [0,2,0,0,0,0|2,0,0]=4 10242 B12R1.374 O=CCOc1cc(cnc1Cl)F 34a_100000079967_200009817547 [0,2,0,0,0,0|2,0,0]=4 10243 B12R1.374 O=CCOc1cc(cnc1Cl)F 7a_100000079967_200015260668 [0,2,0,0,0,0|2,0,0]=4 10244 B12R1.374 O=CCOc1cc(cnc1F)Br 34a_100009819871_200009817547 [0,2,0,0,0,0|2,0,0]=4 10245 B12R1.374 O=CCOc1cc(cnc1F)Br 7a_100009819871_200015260668 [0,2,0,0,0,0|2,0,0]=4 10246 B12R1.374 O=CCOc1cc(cnc1F)Cl 34a_100000094372_200009817547 [0,2,0,0,0,0|2,0,0]=4 10247 B12R1.374 O=CCOc1cc(cnc1F)Cl 7a_100000094372_200015260668 [0,2,0,0,0,0|2,0,0]=4 10248 B12R1.374 O=CCOc1cc(cnc1I)Br 34a_100010210634_200009817547 [0,2,0,0,0,0|2,0,0]=4 10249 B12R1.374 O=CCOc1cc(cnc1I)Br 7a_100010210634_200015260668 [0,2,0,0,0,0|2,0,0]=4 10250 B12R1.374 O=CCOc1cc(cnc1I)Cl 34a_100010233512_200009817547 [0,2,0,0,0,0|2,0,0]=4 10251 B12R1.374 O=CCOc1cc(cnc1I)Cl 7a_100010233512_200015260668 [0,2,0,0,0,0|2,0,0]=4 10252 B12R1.374 O=CCOc1cc(cnc1I)F 34a_100015624800_200009817547 [0,2,0,0,0,0|2,0,0]=4 10253 B12R1.374 O=CCOc1cc(cnc1I)F 7a_100015624800_200015260668 [0,2,0,0,0,0|2,0,0]=4 10254 B12R1.374 O=CCOc1cc(ncc1Br)Br 34a_100010235016_200009817547 [0,2,0,0,0,0|2,0,0]=4 10255 B12R1.374 O=CCOc1cc(ncc1Br)Cl 34a_100010173860_200009817547 [0,2,0,0,0,0|2,0,0]=4 10256 B12R1.374 O=CCOc1cc(ncc1Cl)Br 34a_100010173861_200009817547 [0,2,0,0,0,0|2,0,0]=4 10257 B12R1.374 O=CCOc1cc(ncc1F)Br 34a_100009854642_200009817547 [0,2,0,0,0,0|2,0,0]=4 10258 B12R1.374 O=CCOc1cc(ncc1F)Cl 34a_100009851168_200009817547 [0,2,0,0,0,0|2,0,0]=4 10259 B12R1.374 O=CCOc1nc(ccc1F)Cl 34a_100010729010_200009817547 [0,2,0,0,0,0|2,0,0]=4 10260 B12R1.374 O=CCSc1cc(ccc1Br)Br 62a_100011483371_200015260668 [0,2,0,0,0,0|1,1,0]=4 10261 B12R1.374 O=CCSc1cc(ccc1Br)Br 62a_200015260668_100011483371 [0,2,0,0,0,0|1,1,0]=4 10262 B12R1.374 O=CCSc1cc(ccc1Br)Cl 62a_100012339723_200015260668 [0,2,0,0,0,0|1,1,0]=4 10263 B12R1.374 O=CCSc1cc(ccc1Br)Cl 62a_200015260668_100012339723 [0,2,0,0,0,0|1,1,0]=4 10264 B12R1.374 O=CCSc1cc(ccc1Br)F 62a_100011217576_200015260668 [0,2,0,0,0,0|1,1,0]=4 10265 B12R1.374 O=CCSc1cc(ccc1Br)F 62a_200015260668_100011217576 [0,2,0,0,0,0|1,1,0]=4 10266 B12R1.374 O=CCSc1cc(ccc1Br)O 62a_100012339312_200015260668 [0,2,0,0,0,0|1,1,0]=4 10267 B12R1.374 O=CCSc1cc(ccc1Br)O 62a_200015260668_100012339312 [0,2,0,0,0,0|1,1,0]=4 10268 B12R1.374 O=CCSc1cc(ccc1Cl)Br 62a_100011772130_200015260668 [0,2,0,0,0,0|1,1,0]=4 10269 B12R1.374 O=CCSc1cc(ccc1Cl)Br 62a_200015260668_100011772130 [0,2,0,0,0,0|1,1,0]=4 10270 B12R1.374 O=CCSc1cc(ccc1Cl)Cl 62a_100000707729_200015260668 [0,2,0,0,0,0|1,1,0]=4 10271 B12R1.374 O=CCSc1cc(ccc1Cl)Cl 62a_200015260668_100000707729 [0,2,0,0,0,0|1,1,0]=4 10272 B12R1.374 O=CCSc1cc(ccc1Cl)F 62a_100011217299_200015260668 [0,2,0,0,0,0|1,1,0]=4 10273 B12R1.374 O=CCSc1cc(ccc1Cl)F 62a_200015260668_100011217299 [0,2,0,0,0,0|1,1,0]=4 10274 B12R1.374 O=CCSc1cc(ccc1Cl)O 62a_100000049588_200015260668 [0,2,0,0,0,0|1,1,0]=4 10275 B12R1.374 O=CCSc1cc(ccc1Cl)O 62a_200015260668_100000049588 [0,2,0,0,0,0|1,1,0]=4 10276 B12R1.374 O=CCSc1cc(ccc1F)Br 62a_100011217312_200015260668 [0,2,0,0,0,0|1,1,0]=4 10277 B12R1.374 O=CCSc1cc(ccc1F)Br 62a_200015260668_100011217312 [0,2,0,0,0,0|1,1,0]=4 10278 B12R1.374 O=CCSc1cc(ccc1F)Cl 62a_100011218116_200015260668 [0,2,0,0,0,0|1,1,0]=4 10279 B12R1.374 O=CCSc1cc(ccc1F)Cl 62a_200015260668_100011218116 [0,2,0,0,0,0|1,1,0]=4 10280 B12R1.374 O=CCSc1cc(ccc1F)F 62a_100011219198_200015260668 [0,2,0,0,0,0|1,1,0]=4 10281 B12R1.374 O=CCSc1cc(ccc1F)F 62a_200015260668_100011219198 [0,2,0,0,0,0|1,1,0]=4 10282 B12R1.374 O=CCSc1cc(ccc1F)O 62a_100000693481_200015260668 [0,2,0,0,0,0|1,1,0]=4 10283 B12R1.374 O=CCSc1cc(ccc1F)O 62a_200015260668_100000693481 [0,2,0,0,0,0|1,1,0]=4 10284 B12R1.374 O=CCSc1cc(ccc1O)Br 62a_100012355227_200015260668 [0,2,0,0,0,0|1,1,0]=4 10285 B12R1.374 O=CCSc1cc(ccc1O)Br 62a_200015260668_100012355227 [0,2,0,0,0,0|1,1,0]=4 10286 B12R1.374 O=CCSc1cc(ccc1O)Cl 62a_100011356953_200015260668 [0,2,0,0,0,0|1,1,0]=4 10287 B12R1.374 O=CCSc1cc(ccc1O)Cl 62a_200015260668_100011356953 [0,2,0,0,0,0|1,1,0]=4 10288 B12R1.374 O=CCSc1cc(ccc1O)F 62a_100000211999_200015260668 [0,2,0,0,0,0|1,1,0]=4 10289 B12R1.374 O=CCSc1cc(ccc1O)F 62a_200015260668_100000211999 [0,2,0,0,0,0|1,1,0]=4 10290 B12R1.374 O=CCSc1cc(ccc1O)O 62a_200015260668_100009813629 [0,2,0,0,0,0|1,1,0]=4 10291 B12R1.374 OCCOc1cc(ccc1Br)Br 34a_100011220040_100000211926 [0,2,0,0,0,0|1,0,1]=4 10292 B12R1.374 OCCOc1cc(ccc1Br)Br 7a_100011220040_100000211926 [0,2,0,0,0,0|1,0,1]=4 10293 B12R1.374 OCCOc1cc(ccc1Br)Cl 34a_100012339455_100000211926 [0,2,0,0,0,0|1,0,1]=4 10294 B12R1.374 OCCOc1cc(ccc1Br)Cl 7a_100012339455_100000211926 [0,2,0,0,0,0|1,0,1]=4 10295 B12R1.374 OCCOc1cc(ccc1Br)F 34a_100000690578_100000211926 [0,2,0,0,0,0|1,0,1]=4 10296 B12R1.374 OCCOc1cc(ccc1Br)F 7a_100000690578_100000211926 [0,2,0,0,0,0|1,0,1]=4 10297 B12R1.374 OCCOc1cc(ccc1Br)I 34a_100012356990_100000211926 [0,2,0,0,0,0|1,0,1]=4 10298 B12R1.374 OCCOc1cc(ccc1Br)I 7a_100012356990_100000211926 [0,2,0,0,0,0|1,0,1]=4 10299 B12R1.374 OCCOc1cc(ccc1Cl)Br 34a_100000738945_100000211926 [0,2,0,0,0,0|1,0,1]=4 10300 B12R1.374 OCCOc1cc(ccc1Cl)Br 7a_100000738945_100000211926 [0,2,0,0,0,0|1,0,1]=4 10301 B12R1.374 OCCOc1cc(ccc1Cl)Cl 34a_100000211422_100000211926 [0,2,0,0,0,0|1,0,1]=4 10302 B12R1.374 OCCOc1cc(ccc1Cl)Cl 7a_100000211422_100000211926 [0,2,0,0,0,0|1,0,1]=4 10303 B12R1.374 OCCOc1cc(ccc1Cl)F 34a_100000692107_100000211926 [0,2,0,0,0,0|1,0,1]=4 10304 B12R1.374 OCCOc1cc(ccc1Cl)F 7a_100000692107_100000211926 [0,2,0,0,0,0|1,0,1]=4 10305 B12R1.374 OCCOc1cc(ccc1Cl)I 34a_100011356854_100000211926 [0,2,0,0,0,0|1,0,1]=4 10306 B12R1.374 OCCOc1cc(ccc1Cl)I 7a_100011356854_100000211926 [0,2,0,0,0,0|1,0,1]=4 10307 B12R1.374 OCCOc1cc(ccc1F)Br 34a_100000686035_100000211926 [0,2,0,0,0,0|1,0,1]=4 10308 B12R1.374 OCCOc1cc(ccc1F)Br 7a_100000686035_100000211926 [0,2,0,0,0,0|1,0,1]=4 10309 B12R1.374 OCCOc1cc(ccc1F)Cl 34a_100000757397_100000211926 [0,2,0,0,0,0|1,0,1]=4 10310 B12R1.374 OCCOc1cc(ccc1F)Cl 7a_100000757397_100000211926 [0,2,0,0,0,0|1,0,1]=4 10311 B12R1.374 OCCOc1cc(ccc1F)F 34a_100000752141_100000211926 [0,2,0,0,0,0|1,0,1]=4 10312 B12R1.374 OCCOc1cc(ccc1F)F 7a_100000752141_100000211926 [0,2,0,0,0,0|1,0,1]=4 10313 B12R1.374 OCCOc1cc(ccc1F)I 34a_100009958187_100000211926 [0,2,0,0,0,0|1,0,1]=4 10314 B12R1.374 OCCOc1cc(ccc1F)I 7a_100009958187_100000211926 [0,2,0,0,0,0|1,0,1]=4 10315 B12R1.374 OCCOc1cc(ccc1I)Br 34a_100012344904_100000211926 [0,2,0,0,0,0|1,0,1]=4 10316 B12R1.374 OCCOc1cc(ccc1I)Br 7a_100012344904_100000211926 [0,2,0,0,0,0|1,0,1]=4 10317 B12R1.374 OCCOc1cc(ccc1I)Cl 34a_100000050036_100000211926 [0,2,0,0,0,0|1,0,1]=4 10318 B12R1.374 OCCOc1cc(ccc1I)Cl 7a_100000050036_100000211926 [0,2,0,0,0,0|1,0,1]=4 10319 B12R1.374 OCCOc1cc(ccc1I)F 34a_100010084537_100000211926 [0,2,0,0,0,0|1,0,1]=4 10320 B12R1.374 OCCOc1cc(ccc1I)F 7a_100010084537_100000211926 [0,2,0,0,0,0|1,0,1]=4 10321 B12R1.1631 C#CCOc1c(cccc1Br)Br 34a_100000736428_100000184674 [0,2,0,0,0,0|0,0,2]=4 10322 B12R1.1631 C#CCOc1c(cccc1Br)Br 7a_100000736428_100000038162 [0,2,0,0,0,0|0,0,2]=4 10323 B12R1.1631 C#CCOc1c(cccc1Br)C 34a_100009817157_100000184674 [0,2,0,0,0,0|0,0,2]=4 10324 B12R1.1631 C#CCOc1c(cccc1Br)C 7a_100009817157_100000038162 [0,2,0,0,0,0|0,0,2]=4 10325 B12R1.1631 C#CCOc1c(cccc1Br)Cl 34a_100010214474_100000184674 [0,2,0,0,0,0|0,0,2]=4 10326 B12R1.1631 C#CCOc1c(cccc1Br)Cl 7a_100010214474_100000038162 [0,2,0,0,0,0|0,0,2]=4 10327 B12R1.1631 C#CCOc1c(cccc1Br)F 34a_100009813666_100000184674 [0,2,0,0,0,0|0,0,2]=4 10328 B12R1.1631 C#CCOc1c(cccc1Br)F 7a_100009813666_100000038162 [0,2,0,0,0,0|0,0,2]=4 10329 B12R1.1631 C#CCOc1c(cccc1Br)N 34a_100011934915_100000184674 [0,2,0,0,0,0|0,0,2]=4 10330 B12R1.1631 C#CCOc1c(cccc1C)C 34a_100000210341_100000184674 [0,2,0,0,0,0|0,0,2]=4 10331 B12R1.1631 C#CCOc1c(cccc1C)C 7a_100000210341_100000038162 [0,2,0,0,0,0|0,0,2]=4 10332 B12R1.1631 C#CCOc1c(cccc1Cl)C 34a_100000033731_100000184674 [0,2,0,0,0,0|0,0,2]=4 10333 B12R1.1631 C#CCOc1c(cccc1Cl)C 7a_100000033731_100000038162 [0,2,0,0,0,0|0,0,2]=4 10334 B12R1.1631 C#CCOc1c(cccc1Cl)Cl 34a_100000211709_100000184674 [0,2,0,0,0,0|0,0,2]=4 10335 B12R1.1631 C#CCOc1c(cccc1Cl)Cl 7a_100000211709_100000038162 [0,2,0,0,0,0|0,0,2]=4 10336 B12R1.1631 C#CCOc1c(cccc1Cl)F 34a_100000694953_100000184674 [0,2,0,0,0,0|0,0,2]=4 10337 B12R1.1631 C#CCOc1c(cccc1Cl)F 7a_100000694953_100000038162 [0,2,0,0,0,0|0,0,2]=4 10338 B12R1.1631 C#CCOc1c(cccc1Cl)N 34a_100000754742_100000184674 [0,2,0,0,0,0|0,0,2]=4 10339 B12R1.1631 C#CCOc1c(cccc1F)C 34a_100011659162_100000184674 [0,2,0,0,0,0|0,0,2]=4 10340 B12R1.1631 C#CCOc1c(cccc1F)C 7a_100011659162_100000038162 [0,2,0,0,0,0|0,0,2]=4 10341 B12R1.1631 C#CCOc1c(cccc1F)F 34a_100000230165_100000184674 [0,2,0,0,0,0|0,0,2]=4 10342 B12R1.1631 C#CCOc1c(cccc1F)F 7a_100000230165_100000038162 [0,2,0,0,0,0|0,0,2]=4 10343 B12R1.1631 C#CCOc1c(cccc1F)N 34a_100011934987_100000184674 [0,2,0,0,0,0|0,0,2]=4 10344 B12R1.1631 C#CCOc1c(cccc1I)Br 34a_100010084509_100000184674 [0,2,0,0,0,0|0,0,2]=4 10345 B12R1.1631 C#CCOc1c(cccc1I)Br 7a_100010084509_100000038162 [0,2,0,0,0,0|0,0,2]=4 10346 B12R1.1631 C#CCOc1c(cccc1I)Cl 34a_100010202889_100000184674 [0,2,0,0,0,0|0,0,2]=4 10347 B12R1.1631 C#CCOc1c(cccc1I)Cl 7a_100010202889_100000038162 [0,2,0,0,0,0|0,0,2]=4 10348 B12R1.1631 C#CCOc1c(cccc1I)F 34a_100010186298_100000184674 [0,2,0,0,0,0|0,0,2]=4 10349 B12R1.1631 C#CCOc1c(cccc1I)F 7a_100010186298_100000038162 [0,2,0,0,0,0|0,0,2]=4 10350 B12R1.1631 C#CCOc1c(cccc1I)N 34a_100010084371_100000184674 [0,2,0,0,0,0|0,0,2]=4 10351 B12R1.1631 C#CCOc1c(cccc1N)C 34a_100000756359_100000184674 [0,2,0,0,0,0|0,0,2]=4 10352 B12R1.1631 C#CCOc1c(cccc1N)C 7a_100000756359_100000038162 [0,2,0,0,0,0|0,0,2]=4 10353 B12R1.1631 C#CCOc1c(cccc1N)N 34a_200016994477_100000184674 [0,2,0,0,0,0|0,0,2]=4 10354 B12R1.1631 C=CCNc1c(cccc1Br)Br 34a_100000690995_100015514636 [0,2,0,0,0,0|1,0,0]=3 10355 B12R1.1631 C=CCNc1c(cccc1Br)C 34a_100011834072_100015514636 [0,2,0,0,0,0|1,0,0]=3 10356 B12R1.1631 C=CCNc1c(cccc1Br)Cl 34a_100102946385_100015514636 [0,2,0,0,0,0|1,0,0]=3 10357 B12R1.1631 C=CCNc1c(cccc1Br)F 34a_100000684712_100015514636 [0,2,0,0,0,0|1,0,0]=3 10358 B12R1.1631 C=CCNc1c(cccc1Br)O 34a_100011934926_100015514636 [0,2,0,0,0,0|1,0,0]=3 10359 B12R1.1631 C=CCNc1c(cccc1C)C 34a_100000185769_100015514636 [0,2,0,0,0,0|1,0,0]=3 10360 B12R1.1631 C=CCNc1c(cccc1Cl)C 34a_100000756524_100015514636 [0,2,0,0,0,0|1,0,0]=3 10361 B12R1.1631 C=CCNc1c(cccc1Cl)Cl 34a_100000210028_100015514636 [0,2,0,0,0,0|1,0,0]=3 10362 B12R1.1631 C=CCNc1c(cccc1Cl)F 34a_100000760031_100015514636 [0,2,0,0,0,0|1,0,0]=3 10363 B12R1.1631 C=CCNc1c(cccc1Cl)O 34a_100012022510_100015514636 [0,2,0,0,0,0|1,0,0]=3 10364 B12R1.1631 C=CCNc1c(cccc1F)C 34a_100000766463_100015514636 [0,2,0,0,0,0|1,0,0]=3 10365 B12R1.1631 C=CCNc1c(cccc1F)F 2230a_100000210704_100000210623 [0,2,0,0,0,0|1,0,0]=3 10366 B12R1.1631 C=CCNc1c(cccc1F)F 34a_100000210704_100015514636 [0,2,0,0,0,0|1,0,0]=3 10367 B12R1.1631 C=CCNc1c(cccc1F)O 34a_100020591140_100015514636 [0,2,0,0,0,0|1,0,0]=3 10368 B12R1.1631 C=CCNc1c(cccc1I)F 34a_100000042321_100015514636 [0,2,0,0,0,0|1,0,0]=3 10369 B12R1.1631 C=CCNc1c(cccc1O)C 34a_100000743429_100015514636 [0,2,0,0,0,0|1,0,0]=3 10370 B12R1.1631 C=CCNc1c(ccnc1F)C 27a_100020586998_100009818256 [0,2,0,0,0,0|2,0,0]=4 10371 B12R1.1631 C=CCNc1c(ccnc1F)F 27a_100020586998_100009874084 [0,2,0,0,0,0|2,0,0]=4 10372 B12R1.1631 C=CCOc1c(cccc1Br)Br 34a_100000736428_100015514636 [0,2,0,0,0,0|0,0,0]=2 10373 B12R1.1631 C=CCOc1c(cccc1Br)Br 7a_100000736428_100015514636 [0,2,0,0,0,0|0,0,0]=2 10374 B12R1.1631 C=CCOc1c(cccc1Br)C 34a_100009817157_100015514636 [0,2,0,0,0,0|0,0,0]=2 10375 B12R1.1631 C=CCOc1c(cccc1Br)C 7a_100009817157_100015514636 [0,2,0,0,0,0|0,0,0]=2 10376 B12R1.1631 C=CCOc1c(cccc1Br)Cl 34a_100010214474_100015514636 [0,2,0,0,0,0|0,0,0]=2 10377 B12R1.1631 C=CCOc1c(cccc1Br)Cl 7a_100010214474_100015514636 [0,2,0,0,0,0|0,0,0]=2 10378 B12R1.1631 C=CCOc1c(cccc1Br)F 34a_100009813666_100015514636 [0,2,0,0,0,0|0,0,0]=2 10379 B12R1.1631 C=CCOc1c(cccc1Br)F 7a_100009813666_100015514636 [0,2,0,0,0,0|0,0,0]=2 10380 B12R1.1631 C=CCOc1c(cccc1Br)N 34a_100011934915_100015514636 [0,2,0,0,0,0|0,0,0]=2 10381 B12R1.1631 C=CCOc1c(cccc1C)C 34a_100000210341_100015514636 [0,2,0,0,0,0|0,0,0]=2 10382 B12R1.1631 C=CCOc1c(cccc1C)C 7a_100000210341_100015514636 [0,2,0,0,0,0|0,0,0]=2 10383 B12R1.1631 C=CCOc1c(cccc1Cl)C 34a_100000033731_100015514636 [0,2,0,0,0,0|0,0,0]=2 10384 B12R1.1631 C=CCOc1c(cccc1Cl)C 7a_100000033731_100015514636 [0,2,0,0,0,0|0,0,0]=2 10385 B12R1.1631 C=CCOc1c(cccc1Cl)Cl 34a_100000211709_100015514636 [0,2,0,0,0,0|0,0,0]=2 10386 B12R1.1631 C=CCOc1c(cccc1Cl)Cl 7a_100000211709_100015514636 [0,2,0,0,0,0|0,0,0]=2 10387 B12R1.1631 C=CCOc1c(cccc1Cl)F 34a_100000694953_100015514636 [0,2,0,0,0,0|0,0,0]=2 10388 B12R1.1631 C=CCOc1c(cccc1Cl)F 7a_100000694953_100015514636 [0,2,0,0,0,0|0,0,0]=2 10389 B12R1.1631 C=CCOc1c(cccc1Cl)N 34a_100000754742_100015514636 [0,2,0,0,0,0|0,0,0]=2 10390 B12R1.1631 C=CCOc1c(cccc1F)C 34a_100011659162_100015514636 [0,2,0,0,0,0|0,0,0]=2 10391 B12R1.1631 C=CCOc1c(cccc1F)C 7a_100011659162_100015514636 [0,2,0,0,0,0|0,0,0]=2 10392 B12R1.1631 C=CCOc1c(cccc1F)F 34a_100000230165_100015514636 [0,2,0,0,0,0|0,0,0]=2 10393 B12R1.1631 C=CCOc1c(cccc1F)F 7a_100000230165_100015514636 [0,2,0,0,0,0|0,0,0]=2 10394 B12R1.1631 C=CCOc1c(cccc1F)N 34a_100011934987_100015514636 [0,2,0,0,0,0|0,0,0]=2 10395 B12R1.1631 C=CCOc1c(cccc1I)Br 34a_100010084509_100015514636 [0,2,0,0,0,0|0,0,0]=2 10396 B12R1.1631 C=CCOc1c(cccc1I)Br 7a_100010084509_100015514636 [0,2,0,0,0,0|0,0,0]=2 10397 B12R1.1631 C=CCOc1c(cccc1I)Cl 34a_100010202889_100015514636 [0,2,0,0,0,0|0,0,0]=2 10398 B12R1.1631 C=CCOc1c(cccc1I)Cl 7a_100010202889_100015514636 [0,2,0,0,0,0|0,0,0]=2 10399 B12R1.1631 C=CCOc1c(cccc1I)F 34a_100010186298_100015514636 [0,2,0,0,0,0|0,0,0]=2 10400 B12R1.1631 C=CCOc1c(cccc1I)F 7a_100010186298_100015514636 [0,2,0,0,0,0|0,0,0]=2 10401 B12R1.1631 C=CCOc1c(cccc1I)N 34a_100010084371_100015514636 [0,2,0,0,0,0|0,0,0]=2 10402 B12R1.1631 C=CCOc1c(cccc1N)C 34a_100000756359_100015514636 [0,2,0,0,0,0|0,0,0]=2 10403 B12R1.1631 C=CCOc1c(cccc1N)C 7a_100000756359_100015514636 [0,2,0,0,0,0|0,0,0]=2 10404 B12R1.1631 C=CCOc1c(cccc1N)N 34a_200016994477_100015514636 [0,2,0,0,0,0|0,0,0]=2 10405 B12R1.1631 C=CCOc1c(ccnc1C)C 34a_100011934651_100015514636 [0,2,0,0,0,0|1,0,0]=3 10406 B12R1.1631 C=CCOc1c(ccnc1C)C 7a_100011934651_100015514636 [0,2,0,0,0,0|1,0,0]=3 10407 B12R1.1631 C=CCOc1c(ccnc1Cl)C 34a_100000696282_100015514636 [0,2,0,0,0,0|1,0,0]=3 10408 B12R1.1631 C=CCOc1c(ccnc1Cl)C 7a_100000696282_100015514636 [0,2,0,0,0,0|1,0,0]=3 10409 B12R1.1631 C=CCOc1c(ccnc1Cl)Cl 34a_100000118450_100015514636 [0,2,0,0,0,0|1,0,0]=3 10410 B12R1.1631 C=CCOc1c(ccnc1Cl)Cl 7a_100000118450_100015514636 [0,2,0,0,0,0|1,0,0]=3 10411 B12R1.1631 C=CCOc1c(ccnc1Cl)F 34a_100009867227_100015514636 [0,2,0,0,0,0|1,0,0]=3 10412 B12R1.1631 C=CCOc1c(ccnc1Cl)F 7a_100009867227_100015514636 [0,2,0,0,0,0|1,0,0]=3 10413 B12R1.1631 C=CCOc1c(ccnc1Cl)I 34a_100010067911_100015514636 [0,2,0,0,0,0|1,0,0]=3 10414 B12R1.1631 C=CCOc1c(ccnc1Cl)I 7a_100010067911_100015514636 [0,2,0,0,0,0|1,0,0]=3 10415 B12R1.1631 C=CCOc1c(ccnc1Cl)N 34a_100009844647_100015514636 [0,2,0,0,0,0|1,0,0]=3 10416 B12R1.1631 C=CCOc1c(ccnc1Cl)N 7a_100009844647_100015514636 [0,2,0,0,0,0|1,0,0]=3 10417 B12R1.1631 C=CCOc1c(ncnc1C)C 34a_100009878406_100015514636 [0,2,0,0,0,0|2,0,0]=4 10418 B12R1.1631 C=CCOc1c(ncnc1C)C 7a_100009878406_100015514636 [0,2,0,0,0,0|2,0,0]=4 10419 B12R1.1631 C=CCOc1c(ncnc1Cl)Cl 34a_100009876168_100015514636 [0,2,0,0,0,0|2,0,0]=4 10420 B12R1.1631 C=CCOc1c(ncnc1Cl)Cl 7a_100009876168_100015514636 [0,2,0,0,0,0|2,0,0]=4 10421 B12R1.1631 C=CCOc1c(ncnc1Cl)N 34a_100000124137_100015514636 [0,2,0,0,0,0|2,0,0]=4 10422 B12R1.1631 C=CCOc1c(ncnc1Cl)N 7a_100000124137_100015514636 [0,2,0,0,0,0|2,0,0]=4 10423 B12R1.1631 C=CCOc1c(occc1=O)C 34a_100000031901_100015514636 [0,2,0,0,0,0|1,0,0]=3 10424 B12R1.1631 C=CCSc1c(ccc[n+]1[O-])C 62a_100000210623_100116209805 [0,2,0,0,0,0|1,1,0]=4 10425 B12R1.1631 C=CCSc1c(cccc1Br)Br 62a_100000210623_100009994525 [0,2,0,0,0,0|0,1,0]=3 10426 B12R1.1631 C=CCSc1c(cccc1Br)Br 62a_100009994525_100000210623 [0,2,0,0,0,0|0,1,0]=3 10427 B12R1.1631 C=CCSc1c(cccc1Br)C 62a_100000210623_100010141302 [0,2,0,0,0,0|0,1,0]=3 10428 B12R1.1631 C=CCSc1c(cccc1Br)C 62a_100010141302_100000210623 [0,2,0,0,0,0|0,1,0]=3 10429 B12R1.1631 C=CCSc1c(cccc1Br)Cl 62a_100000210623_100010214488 [0,2,0,0,0,0|0,1,0]=3 10430 B12R1.1631 C=CCSc1c(cccc1Br)Cl 62a_100010214488_100000210623 [0,2,0,0,0,0|0,1,0]=3 10431 B12R1.1631 C=CCSc1c(cccc1Br)F 62a_100000210623_100011219512 [0,2,0,0,0,0|0,1,0]=3 10432 B12R1.1631 C=CCSc1c(cccc1Br)F 62a_100011219512_100000210623 [0,2,0,0,0,0|0,1,0]=3 10433 B12R1.1631 C=CCSc1c(cccc1Br)N 62a_100000210623_100020590159 [0,2,0,0,0,0|0,1,0]=3 10434 B12R1.1631 C=CCSc1c(cccc1Br)N 62a_100020590159_100000210623 [0,2,0,0,0,0|0,1,0]=3 10435 B12R1.1631 C=CCSc1c(cccc1Br)O 62a_100000210623_100010187912 [0,2,0,0,0,0|0,1,0]=3 10436 B12R1.1631 C=CCSc1c(cccc1Br)O 62a_100010187912_100000210623 [0,2,0,0,0,0|0,1,0]=3 10437 B12R1.1631 C=CCSc1c(cccc1C)C 62a_100000033847_100000210623 [0,2,0,0,0,0|0,1,0]=3 10438 B12R1.1631 C=CCSc1c(cccc1C)C 62a_100000210623_100000033847 [0,2,0,0,0,0|0,1,0]=3 10439 B12R1.1631 C=CCSc1c(cccc1Cl)C 62a_100000043165_100000210623 [0,2,0,0,0,0|0,1,0]=3 10440 B12R1.1631 C=CCSc1c(cccc1Cl)C 62a_100000210623_100000043165 [0,2,0,0,0,0|0,1,0]=3 10441 B12R1.1631 C=CCSc1c(cccc1Cl)Cl 62a_100000034237_100000210623 [0,2,0,0,0,0|0,1,0]=3 10442 B12R1.1631 C=CCSc1c(cccc1Cl)Cl 62a_100000210623_100000034237 [0,2,0,0,0,0|0,1,0]=3 10443 B12R1.1631 C=CCSc1c(cccc1Cl)F 62a_100000050007_100000210623 [0,2,0,0,0,0|0,1,0]=3 10444 B12R1.1631 C=CCSc1c(cccc1Cl)F 62a_100000210623_100000050007 [0,2,0,0,0,0|0,1,0]=3 10445 B12R1.1631 C=CCSc1c(cccc1Cl)N 62a_100000049713_100000210623 [0,2,0,0,0,0|0,1,0]=3 10446 B12R1.1631 C=CCSc1c(cccc1Cl)N 62a_100000210623_100000049713 [0,2,0,0,0,0|0,1,0]=3 10447 B12R1.1631 C=CCSc1c(cccc1Cl)O 62a_100000210623_100000050174 [0,2,0,0,0,0|0,1,0]=3 10448 B12R1.1631 C=CCSc1c(cccc1F)C 62a_100000210623_100011218421 [0,2,0,0,0,0|0,1,0]=3 10449 B12R1.1631 C=CCSc1c(cccc1F)C 62a_100011218421_100000210623 [0,2,0,0,0,0|0,1,0]=3 10450 B12R1.1631 C=CCSc1c(cccc1F)F 62a_100000210623_100000693133 [0,2,0,0,0,0|0,1,0]=3 10451 B12R1.1631 C=CCSc1c(cccc1F)F 62a_100000693133_100000210623 [0,2,0,0,0,0|0,1,0]=3 10452 B12R1.1631 C=CCSc1c(cccc1F)N 62a_100000210623_100000690935 [0,2,0,0,0,0|0,1,0]=3 10453 B12R1.1631 C=CCSc1c(cccc1F)N 62a_100000690935_100000210623 [0,2,0,0,0,0|0,1,0]=3 10454 B12R1.1631 C=CCSc1c(cccc1F)O 62a_100000210623_100009820682 [0,2,0,0,0,0|0,1,0]=3 10455 B12R1.1631 C=CCSc1c(cccc1F)O 62a_100009820682_100000210623 [0,2,0,0,0,0|0,1,0]=3 10456 B12R1.1631 C=CCSc1c(cccc1N)C 62a_100000210623_100000684715 [0,2,0,0,0,0|0,1,0]=3 10457 B12R1.1631 C=CCSc1c(cccc1N)C 62a_100000684715_100000210623 [0,2,0,0,0,0|0,1,0]=3 10458 B12R1.1631 C=CCSc1c(cccc1O)C 62a_100000210623_100000686692 [0,2,0,0,0,0|0,1,0]=3 10459 B12R1.1631 C=CCSc1c(cccc1O)C 62a_100000686692_100000210623 [0,2,0,0,0,0|0,1,0]=3 10460 B12R1.1631 C=CCSc1c(cccc1O)N 62a_100000210623_100012183704 [0,2,0,0,0,0|0,1,0]=3 10461 B12R1.1631 C=CCSc1c(cccc1O)N 62a_100012183704_100000210623 [0,2,0,0,0,0|0,1,0]=3 10462 B12R1.1631 C=CCSc1c(cccc1O)O 62a_100000210623_100010205330 [0,2,0,0,0,0|0,1,0]=3 10463 B12R1.1631 C=CCSc1c(ccnc1C)C 62a_100000210623_100012000501 [0,2,0,0,0,0|1,1,0]=4 10464 B12R1.1631 C=CCSc1c(ccnc1C)C 62a_100012000501_100000210623 [0,2,0,0,0,0|1,1,0]=4 10465 B12R1.1631 C=CCSc1c(ccnc1C)N 62a_100000210623_100010243816 [0,2,0,0,0,0|1,1,0]=4 10466 B12R1.1631 C=CCSc1c(ccnc1C)N 62a_100010243816_100000210623 [0,2,0,0,0,0|1,1,0]=4 10467 B12R1.1631 C=CCSc1c(ccnc1Cl)Br 62a_100000210623_100009814607 [0,2,0,0,0,0|1,1,0]=4 10468 B12R1.1631 C=CCSc1c(ccnc1Cl)Br 62a_100009814607_100000210623 [0,2,0,0,0,0|1,1,0]=4 10469 B12R1.1631 C=CCSc1c(ccnc1Cl)C 62a_100000210623_100010248874 [0,2,0,0,0,0|1,1,0]=4 10470 B12R1.1631 C=CCSc1c(ccnc1Cl)C 62a_100010248874_100000210623 [0,2,0,0,0,0|1,1,0]=4 10471 B12R1.1631 C=CCSc1c(ccnc1Cl)Cl 62a_100000050019_100000210623 [0,2,0,0,0,0|1,1,0]=4 10472 B12R1.1631 C=CCSc1c(ccnc1Cl)Cl 62a_100000210623_100000050019 [0,2,0,0,0,0|1,1,0]=4 10473 B12R1.1631 C=CCSc1c(ccnc1Cl)F 62a_100000210623_100000716511 [0,2,0,0,0,0|1,1,0]=4 10474 B12R1.1631 C=CCSc1c(ccnc1Cl)F 62a_100000716511_100000210623 [0,2,0,0,0,0|1,1,0]=4 10475 B12R1.1631 C=CCSc1c(ccnc1Cl)N 62a_100000210623_100010208016 [0,2,0,0,0,0|1,1,0]=4 10476 B12R1.1631 C=CCSc1c(ccnc1Cl)N 62a_100010208016_100000210623 [0,2,0,0,0,0|1,1,0]=4 10477 B12R1.1631 C=CCSc1c(ccnc1F)C 62a_100000210623_100009818256 [0,2,0,0,0,0|1,1,0]=4 10478 B12R1.1631 C=CCSc1c(ccnc1F)C 62a_100009818256_100000210623 [0,2,0,0,0,0|1,1,0]=4 10479 B12R1.1631 C=CCSc1c(ccnc1F)F 62a_100000210623_100009874084 [0,2,0,0,0,0|1,1,0]=4 10480 B12R1.1631 C=CCSc1c(ccnc1F)F 62a_100009874084_100000210623 [0,2,0,0,0,0|1,1,0]=4 10481 B12R1.1631 C=CCSc1c(ccnc1F)N 62a_100000210623_100010381272 [0,2,0,0,0,0|1,1,0]=4 10482 B12R1.1631 C=CCSc1c(ccnc1F)N 62a_100010381272_100000210623 [0,2,0,0,0,0|1,1,0]=4 10483 B12R1.1631 C=CCSc1c(ccnc1N)C 62a_100000210623_100011998619 [0,2,0,0,0,0|1,1,0]=4 10484 B12R1.1631 C=CCSc1c(ccnc1N)C 62a_100011998619_100000210623 [0,2,0,0,0,0|1,1,0]=4 10485 B12R1.1631 C=CCSc1c(ccnc1N)Cl 62a_100000210623_100010199028 [0,2,0,0,0,0|1,1,0]=4 10486 B12R1.1631 C=CCSc1c(ccnc1N)Cl 62a_100010199028_100000210623 [0,2,0,0,0,0|1,1,0]=4 10487 B12R1.1631 C=CCSc1c(ccnc1O)C 62a_100000210623_100012000493 [0,2,0,0,0,0|1,1,0]=4 10488 B12R1.1631 C=CCSc1c(ccnc1O)C 62a_100012000493_100000210623 [0,2,0,0,0,0|1,1,0]=4 10489 B12R1.1631 C=CCSc1c(ccnc1O)O 62a_100000210623_200009817435 [0,2,0,0,0,0|1,1,0]=4 10490 B12R1.1631 C=CCSc1c(cncc1Br)Br 62a_100000210623_100010172828 [0,2,0,0,0,0|1,1,0]=4 10491 B12R1.1631 C=CCSc1c(cncc1Br)Br 62a_100010172828_100000210623 [0,2,0,0,0,0|1,1,0]=4 10492 B12R1.1631 C=CCSc1c(cncc1C)C 62a_100000210623_100009817138 [0,2,0,0,0,0|1,1,0]=4 10493 B12R1.1631 C=CCSc1c(cncc1C)C 62a_100009817138_100000210623 [0,2,0,0,0,0|1,1,0]=4 10494 B12R1.1631 C=CCSc1c(cncc1Cl)Cl 62a_100000036193_100000210623 [0,2,0,0,0,0|1,1,0]=4 10495 B12R1.1631 C=CCSc1c(cncc1Cl)Cl 62a_100000210623_100000036193 [0,2,0,0,0,0|1,1,0]=4 10496 B12R1.1631 C=CCSc1c(cncc1F)F 62a_100000210623_100000760538 [0,2,0,0,0,0|1,1,0]=4 10497 B12R1.1631 C=CCSc1c(cncc1F)F 62a_100000760538_100000210623 [0,2,0,0,0,0|1,1,0]=4 10498 B12R1.1631 CCCOc1c(cccc1Br)Br 34a_100000736428_100000210303 [0,2,0,0,0,0|0,0,2]=4 10499 B12R1.1631 CCCOc1c(cccc1Br)Br 7a_100000736428_100000210303 [0,2,0,0,0,0|0,0,2]=4 10500 B12R1.1631 CCCOc1c(cccc1Br)C 34a_100009817157_100000210303 [0,2,0,0,0,0|0,0,2]=4 10501 B12R1.1631 CCCOc1c(cccc1Br)C 7a_100009817157_100000210303 [0,2,0,0,0,0|0,0,2]=4 10502 B12R1.1631 CCCOc1c(cccc1Br)Cl 34a_100010214474_100000210303 [0,2,0,0,0,0|0,0,2]=4 10503 B12R1.1631 CCCOc1c(cccc1Br)Cl 7a_100010214474_100000210303 [0,2,0,0,0,0|0,0,2]=4 10504 B12R1.1631 CCCOc1c(cccc1Br)F 34a_100009813666_100000210303 [0,2,0,0,0,0|0,0,2]=4 10505 B12R1.1631 CCCOc1c(cccc1Br)F 7a_100009813666_100000210303 [0,2,0,0,0,0|0,0,2]=4 10506 B12R1.1631 CCCOc1c(cccc1Br)N 34a_100011934915_100000210303 [0,2,0,0,0,0|0,0,2]=4 10507 B12R1.1631 CCCOc1c(cccc1C)C 34a_100000210341_100000210303 [0,2,0,0,0,0|0,0,2]=4 10508 B12R1.1631 CCCOc1c(cccc1C)C 7a_100000210341_100000210303 [0,2,0,0,0,0|0,0,2]=4 10509 B12R1.1631 CCCOc1c(cccc1Cl)C 34a_100000033731_100000210303 [0,2,0,0,0,0|0,0,2]=4 10510 B12R1.1631 CCCOc1c(cccc1Cl)C 7a_100000033731_100000210303 [0,2,0,0,0,0|0,0,2]=4 10511 B12R1.1631 CCCOc1c(cccc1Cl)Cl 34a_100000211709_100000210303 [0,2,0,0,0,0|0,0,2]=4 10512 B12R1.1631 CCCOc1c(cccc1Cl)Cl 7a_100000211709_100000210303 [0,2,0,0,0,0|0,0,2]=4 10513 B12R1.1631 CCCOc1c(cccc1Cl)F 34a_100000694953_100000210303 [0,2,0,0,0,0|0,0,2]=4 10514 B12R1.1631 CCCOc1c(cccc1Cl)F 7a_100000694953_100000210303 [0,2,0,0,0,0|0,0,2]=4 10515 B12R1.1631 CCCOc1c(cccc1Cl)N 34a_100000754742_100000210303 [0,2,0,0,0,0|0,0,2]=4 10516 B12R1.1631 CCCOc1c(cccc1F)C 34a_100011659162_100000210303 [0,2,0,0,0,0|0,0,2]=4 10517 B12R1.1631 CCCOc1c(cccc1F)C 7a_100011659162_100000210303 [0,2,0,0,0,0|0,0,2]=4 10518 B12R1.1631 CCCOc1c(cccc1F)F 34a_100000230165_100000210303 [0,2,0,0,0,0|0,0,2]=4 10519 B12R1.1631 CCCOc1c(cccc1F)F 7a_100000230165_100000210303 [0,2,0,0,0,0|0,0,2]=4 10520 B12R1.1631 CCCOc1c(cccc1F)N 34a_100011934987_100000210303 [0,2,0,0,0,0|0,0,2]=4 10521 B12R1.1631 CCCOc1c(cccc1I)Br 34a_100010084509_100000210303 [0,2,0,0,0,0|0,0,2]=4 10522 B12R1.1631 CCCOc1c(cccc1I)Br 7a_100010084509_100000210303 [0,2,0,0,0,0|0,0,2]=4 10523 B12R1.1631 CCCOc1c(cccc1I)Cl 34a_100010202889_100000210303 [0,2,0,0,0,0|0,0,2]=4 10524 B12R1.1631 CCCOc1c(cccc1I)Cl 7a_100010202889_100000210303 [0,2,0,0,0,0|0,0,2]=4 10525 B12R1.1631 CCCOc1c(cccc1I)F 34a_100010186298_100000210303 [0,2,0,0,0,0|0,0,2]=4 10526 B12R1.1631 CCCOc1c(cccc1I)F 7a_100010186298_100000210303 [0,2,0,0,0,0|0,0,2]=4 10527 B12R1.1631 CCCOc1c(cccc1I)N 34a_100010084371_100000210303 [0,2,0,0,0,0|0,0,2]=4 10528 B12R1.1631 CCCOc1c(cccc1N)C 34a_100000756359_100000210303 [0,2,0,0,0,0|0,0,2]=4 10529 B12R1.1631 CCCOc1c(cccc1N)C 7a_100000756359_100000210303 [0,2,0,0,0,0|0,0,2]=4 10530 B12R1.1631 CCCOc1c(cccc1N)N 34a_200016994477_100000210303 [0,2,0,0,0,0|0,0,2]=4 10531 B12R1.1631 CSCOc1c(cccc1Br)Br 34a_100000736428_100011218213 [0,2,0,0,0,0|1,0,1]=4 10532 B12R1.1631 CSCOc1c(cccc1Br)C 34a_100009817157_100011218213 [0,2,0,0,0,0|1,0,1]=4 10533 B12R1.1631 CSCOc1c(cccc1Br)Cl 34a_100010214474_100011218213 [0,2,0,0,0,0|1,0,1]=4 10534 B12R1.1631 CSCOc1c(cccc1Br)F 34a_100009813666_100011218213 [0,2,0,0,0,0|1,0,1]=4 10535 B12R1.1631 CSCOc1c(cccc1Br)N 34a_100011934915_100011218213 [0,2,0,0,0,0|1,0,1]=4 10536 B12R1.1631 CSCOc1c(cccc1C)C 34a_100000210341_100011218213 [0,2,0,0,0,0|1,0,1]=4 10537 B12R1.1631 CSCOc1c(cccc1Cl)C 34a_100000033731_100011218213 [0,2,0,0,0,0|1,0,1]=4 10538 B12R1.1631 CSCOc1c(cccc1Cl)Cl 34a_100000211709_100011218213 [0,2,0,0,0,0|1,0,1]=4 10539 B12R1.1631 CSCOc1c(cccc1Cl)F 34a_100000694953_100011218213 [0,2,0,0,0,0|1,0,1]=4 10540 B12R1.1631 CSCOc1c(cccc1Cl)N 34a_100000754742_100011218213 [0,2,0,0,0,0|1,0,1]=4 10541 B12R1.1631 CSCOc1c(cccc1F)C 34a_100011659162_100011218213 [0,2,0,0,0,0|1,0,1]=4 10542 B12R1.1631 CSCOc1c(cccc1F)F 34a_100000230165_100011218213 [0,2,0,0,0,0|1,0,1]=4 10543 B12R1.1631 CSCOc1c(cccc1F)N 34a_100011934987_100011218213 [0,2,0,0,0,0|1,0,1]=4 10544 B12R1.1631 CSCOc1c(cccc1I)Br 34a_100010084509_100011218213 [0,2,0,0,0,0|1,0,1]=4 10545 B12R1.1631 CSCOc1c(cccc1I)Cl 34a_100010202889_100011218213 [0,2,0,0,0,0|1,0,1]=4 10546 B12R1.1631 CSCOc1c(cccc1I)F 34a_100010186298_100011218213 [0,2,0,0,0,0|1,0,1]=4 10547 B12R1.1631 CSCOc1c(cccc1I)N 34a_100010084371_100011218213 [0,2,0,0,0,0|1,0,1]=4 10548 B12R1.1631 CSCOc1c(cccc1N)C 34a_100000756359_100011218213 [0,2,0,0,0,0|1,0,1]=4 10549 B12R1.1631 CSCOc1c(cccc1N)N 34a_200016994477_100011218213 [0,2,0,0,0,0|1,0,1]=4 10550 B12R1.1631 Cc1cccc(c1NCC=O)Br 34a_100011834072_200009817547 [0,2,0,0,0,0|2,0,0]=4 10551 B12R1.1631 Cc1cccc(c1NCC=O)C 34a_100000185769_200009817547 [0,2,0,0,0,0|2,0,0]=4 10552 B12R1.1631 Cc1cccc(c1NCC=O)Cl 34a_100000756524_200009817547 [0,2,0,0,0,0|2,0,0]=4 10553 B12R1.1631 Cc1cccc(c1NCC=O)F 34a_100000766463_200009817547 [0,2,0,0,0,0|2,0,0]=4 10554 B12R1.1631 Cc1cccc(c1NCC=O)O 34a_100000743429_200009817547 [0,2,0,0,0,0|2,0,0]=4 10555 B12R1.1631 Cc1cccc(c1OCC#N)Br 7a_100009817157_100011215382 [0,2,0,0,0,0|1,0,1]=4 10556 B12R1.1631 Cc1cccc(c1OCC#N)C 7a_100000210341_100011215382 [0,2,0,0,0,0|1,0,1]=4 10557 B12R1.1631 Cc1cccc(c1OCC#N)Cl 7a_100000033731_100011215382 [0,2,0,0,0,0|1,0,1]=4 10558 B12R1.1631 Cc1cccc(c1OCC#N)F 7a_100011659162_100011215382 [0,2,0,0,0,0|1,0,1]=4 10559 B12R1.1631 Cc1cccc(c1OCC#N)N 7a_100000756359_100011215382 [0,2,0,0,0,0|1,0,1]=4 10560 B12R1.1631 Cc1cccc(c1OCC=O)Br 34a_100009817157_200009817547 [0,2,0,0,0,0|1,0,0]=3 10561 B12R1.1631 Cc1cccc(c1OCC=O)Br 7a_100009817157_200015260668 [0,2,0,0,0,0|1,0,0]=3 10562 B12R1.1631 Cc1cccc(c1OCC=O)C 34a_100000210341_200009817547 [0,2,0,0,0,0|1,0,0]=3 10563 B12R1.1631 Cc1cccc(c1OCC=O)C 7a_100000210341_200015260668 [0,2,0,0,0,0|1,0,0]=3 10564 B12R1.1631 Cc1cccc(c1OCC=O)Cl 34a_100000033731_200009817547 [0,2,0,0,0,0|1,0,0]=3 10565 B12R1.1631 Cc1cccc(c1OCC=O)Cl 7a_100000033731_200015260668 [0,2,0,0,0,0|1,0,0]=3 10566 B12R1.1631 Cc1cccc(c1OCC=O)F 34a_100011659162_200009817547 [0,2,0,0,0,0|1,0,0]=3 10567 B12R1.1631 Cc1cccc(c1OCC=O)F 7a_100011659162_200015260668 [0,2,0,0,0,0|1,0,0]=3 10568 B12R1.1631 Cc1cccc(c1OCC=O)N 34a_100000756359_200009817547 [0,2,0,0,0,0|1,0,0]=3 10569 B12R1.1631 Cc1cccc(c1OCC=O)N 7a_100000756359_200015260668 [0,2,0,0,0,0|1,0,0]=3 10570 B12R1.1631 Cc1cccc(c1OCCF)Br 34a_100009817157_100011217306 [0,2,0,0,0,0|1,0,1]=4 10571 B12R1.1631 Cc1cccc(c1OCCF)Br 7a_100009817157_100011217306 [0,2,0,0,0,0|1,0,1]=4 10572 B12R1.1631 Cc1cccc(c1OCCF)C 34a_100000210341_100011217306 [0,2,0,0,0,0|1,0,1]=4 10573 B12R1.1631 Cc1cccc(c1OCCF)C 7a_100000210341_100011217306 [0,2,0,0,0,0|1,0,1]=4 10574 B12R1.1631 Cc1cccc(c1OCCF)Cl 34a_100000033731_100011217306 [0,2,0,0,0,0|1,0,1]=4 10575 B12R1.1631 Cc1cccc(c1OCCF)Cl 7a_100000033731_100011217306 [0,2,0,0,0,0|1,0,1]=4 10576 B12R1.1631 Cc1cccc(c1OCCF)F 34a_100011659162_100011217306 [0,2,0,0,0,0|1,0,1]=4 10577 B12R1.1631 Cc1cccc(c1OCCF)F 7a_100011659162_100011217306 [0,2,0,0,0,0|1,0,1]=4 10578 B12R1.1631 Cc1cccc(c1OCCF)N 34a_100000756359_100011217306 [0,2,0,0,0,0|1,0,1]=4 10579 B12R1.1631 Cc1cccc(c1OCCF)N 7a_100000756359_100011217306 [0,2,0,0,0,0|1,0,1]=4 10580 B12R1.1631 Cc1cccc(c1OCCO)Br 34a_100009817157_100000211926 [0,2,0,0,0,0|1,0,1]=4 10581 B12R1.1631 Cc1cccc(c1OCCO)Br 7a_100009817157_100000211926 [0,2,0,0,0,0|1,0,1]=4 10582 B12R1.1631 Cc1cccc(c1OCCO)C 34a_100000210341_100000211926 [0,2,0,0,0,0|1,0,1]=4 10583 B12R1.1631 Cc1cccc(c1OCCO)C 7a_100000210341_100000211926 [0,2,0,0,0,0|1,0,1]=4 10584 B12R1.1631 Cc1cccc(c1OCCO)Cl 34a_100000033731_100000211926 [0,2,0,0,0,0|1,0,1]=4 10585 B12R1.1631 Cc1cccc(c1OCCO)Cl 7a_100000033731_100000211926 [0,2,0,0,0,0|1,0,1]=4 10586 B12R1.1631 Cc1cccc(c1OCCO)F 34a_100011659162_100000211926 [0,2,0,0,0,0|1,0,1]=4 10587 B12R1.1631 Cc1cccc(c1OCCO)F 7a_100011659162_100000211926 [0,2,0,0,0,0|1,0,1]=4 10588 B12R1.1631 Cc1cccc(c1OCCO)N 34a_100000756359_100000211926 [0,2,0,0,0,0|1,0,1]=4 10589 B12R1.1631 Cc1cccc(c1OCCO)N 7a_100000756359_100000211926 [0,2,0,0,0,0|1,0,1]=4 10590 B12R1.1631 Cc1cccc(c1SCC=O)Br 62a_100010141302_200015260668 [0,2,0,0,0,0|1,1,0]=4 10591 B12R1.1631 Cc1cccc(c1SCC=O)Br 62a_200015260668_100010141302 [0,2,0,0,0,0|1,1,0]=4 10592 B12R1.1631 Cc1cccc(c1SCC=O)C 62a_100000033847_200015260668 [0,2,0,0,0,0|1,1,0]=4 10593 B12R1.1631 Cc1cccc(c1SCC=O)C 62a_200015260668_100000033847 [0,2,0,0,0,0|1,1,0]=4 10594 B12R1.1631 Cc1cccc(c1SCC=O)Cl 62a_100000043165_200015260668 [0,2,0,0,0,0|1,1,0]=4 10595 B12R1.1631 Cc1cccc(c1SCC=O)Cl 62a_200015260668_100000043165 [0,2,0,0,0,0|1,1,0]=4 10596 B12R1.1631 Cc1cccc(c1SCC=O)F 62a_100011218421_200015260668 [0,2,0,0,0,0|1,1,0]=4 10597 B12R1.1631 Cc1cccc(c1SCC=O)F 62a_200015260668_100011218421 [0,2,0,0,0,0|1,1,0]=4 10598 B12R1.1631 Cc1cccc(c1SCC=O)N 62a_100000684715_200015260668 [0,2,0,0,0,0|1,1,0]=4 10599 B12R1.1631 Cc1cccc(c1SCC=O)N 62a_200015260668_100000684715 [0,2,0,0,0,0|1,1,0]=4 10600 B12R1.1631 Cc1cccc(c1SCC=O)O 62a_100000686692_200015260668 [0,2,0,0,0,0|1,1,0]=4 10601 B12R1.1631 Cc1cccc(c1SCC=O)O 62a_200015260668_100000686692 [0,2,0,0,0,0|1,1,0]=4 10602 B12R1.1631 Cc1ccnc(c1OCC=O)C 34a_100011934651_200009817547 [0,2,0,0,0,0|2,0,0]=4 10603 B12R1.1631 Cc1ccnc(c1OCC=O)C 7a_100011934651_200015260668 [0,2,0,0,0,0|2,0,0]=4 10604 B12R1.1631 Cc1ccnc(c1OCC=O)Cl 34a_100000696282_200009817547 [0,2,0,0,0,0|2,0,0]=4 10605 B12R1.1631 Cc1ccnc(c1OCC=O)Cl 7a_100000696282_200015260668 [0,2,0,0,0,0|2,0,0]=4 10606 B12R1.1631 Cc1occc(=O)c1OCC=O 34a_100000031901_200009817547 [0,2,0,0,0,0|2,0,0]=4 10607 B12R1.1631 FCCOc1c(cccc1Br)Br 34a_100000736428_100011217306 [0,2,0,0,0,0|1,0,1]=4 10608 B12R1.1631 FCCOc1c(cccc1Br)Br 7a_100000736428_100011217306 [0,2,0,0,0,0|1,0,1]=4 10609 B12R1.1631 FCCOc1c(cccc1Br)Cl 34a_100010214474_100011217306 [0,2,0,0,0,0|1,0,1]=4 10610 B12R1.1631 FCCOc1c(cccc1Br)Cl 7a_100010214474_100011217306 [0,2,0,0,0,0|1,0,1]=4 10611 B12R1.1631 FCCOc1c(cccc1Br)F 34a_100009813666_100011217306 [0,2,0,0,0,0|1,0,1]=4 10612 B12R1.1631 FCCOc1c(cccc1Br)F 7a_100009813666_100011217306 [0,2,0,0,0,0|1,0,1]=4 10613 B12R1.1631 FCCOc1c(cccc1Cl)Cl 34a_100000211709_100011217306 [0,2,0,0,0,0|1,0,1]=4 10614 B12R1.1631 FCCOc1c(cccc1Cl)Cl 7a_100000211709_100011217306 [0,2,0,0,0,0|1,0,1]=4 10615 B12R1.1631 FCCOc1c(cccc1Cl)F 34a_100000694953_100011217306 [0,2,0,0,0,0|1,0,1]=4 10616 B12R1.1631 FCCOc1c(cccc1Cl)F 7a_100000694953_100011217306 [0,2,0,0,0,0|1,0,1]=4 10617 B12R1.1631 FCCOc1c(cccc1F)F 34a_100000230165_100011217306 [0,2,0,0,0,0|1,0,1]=4 10618 B12R1.1631 FCCOc1c(cccc1F)F 7a_100000230165_100011217306 [0,2,0,0,0,0|1,0,1]=4 10619 B12R1.1631 FCCOc1c(cccc1I)Br 34a_100010084509_100011217306 [0,2,0,0,0,0|1,0,1]=4 10620 B12R1.1631 FCCOc1c(cccc1I)Br 7a_100010084509_100011217306 [0,2,0,0,0,0|1,0,1]=4 10621 B12R1.1631 FCCOc1c(cccc1I)Cl 34a_100010202889_100011217306 [0,2,0,0,0,0|1,0,1]=4 10622 B12R1.1631 FCCOc1c(cccc1I)Cl 7a_100010202889_100011217306 [0,2,0,0,0,0|1,0,1]=4 10623 B12R1.1631 FCCOc1c(cccc1I)F 34a_100010186298_100011217306 [0,2,0,0,0,0|1,0,1]=4 10624 B12R1.1631 FCCOc1c(cccc1I)F 7a_100010186298_100011217306 [0,2,0,0,0,0|1,0,1]=4 10625 B12R1.1631 N#CCOc1c(cccc1Br)Br 7a_100000736428_100011215382 [0,2,0,0,0,0|1,0,1]=4 10626 B12R1.1631 N#CCOc1c(cccc1Br)Cl 7a_100010214474_100011215382 [0,2,0,0,0,0|1,0,1]=4 10627 B12R1.1631 N#CCOc1c(cccc1Br)F 7a_100009813666_100011215382 [0,2,0,0,0,0|1,0,1]=4 10628 B12R1.1631 N#CCOc1c(cccc1Cl)Cl 7a_100000211709_100011215382 [0,2,0,0,0,0|1,0,1]=4 10629 B12R1.1631 N#CCOc1c(cccc1Cl)F 7a_100000694953_100011215382 [0,2,0,0,0,0|1,0,1]=4 10630 B12R1.1631 N#CCOc1c(cccc1F)F 7a_100000230165_100011215382 [0,2,0,0,0,0|1,0,1]=4 10631 B12R1.1631 N#CCOc1c(cccc1I)Br 7a_100010084509_100011215382 [0,2,0,0,0,0|1,0,1]=4 10632 B12R1.1631 N#CCOc1c(cccc1I)Cl 7a_100010202889_100011215382 [0,2,0,0,0,0|1,0,1]=4 10633 B12R1.1631 N#CCOc1c(cccc1I)F 7a_100010186298_100011215382 [0,2,0,0,0,0|1,0,1]=4 10634 B12R1.1631 Nc1cccc(c1OCC=O)Br 34a_100011934915_200009817547 [0,2,0,0,0,0|1,0,0]=3 10635 B12R1.1631 Nc1cccc(c1OCC=O)Cl 34a_100000754742_200009817547 [0,2,0,0,0,0|1,0,0]=3 10636 B12R1.1631 Nc1cccc(c1OCC=O)F 34a_100011934987_200009817547 [0,2,0,0,0,0|1,0,0]=3 10637 B12R1.1631 Nc1cccc(c1OCC=O)I 34a_100010084371_200009817547 [0,2,0,0,0,0|1,0,0]=3 10638 B12R1.1631 Nc1cccc(c1OCC=O)N 34a_200016994477_200009817547 [0,2,0,0,0,0|1,0,0]=3 10639 B12R1.1631 Nc1cccc(c1OCCF)Br 34a_100011934915_100011217306 [0,2,0,0,0,0|1,0,1]=4 10640 B12R1.1631 Nc1cccc(c1OCCF)Cl 34a_100000754742_100011217306 [0,2,0,0,0,0|1,0,1]=4 10641 B12R1.1631 Nc1cccc(c1OCCF)F 34a_100011934987_100011217306 [0,2,0,0,0,0|1,0,1]=4 10642 B12R1.1631 Nc1cccc(c1OCCF)I 34a_100010084371_100011217306 [0,2,0,0,0,0|1,0,1]=4 10643 B12R1.1631 Nc1cccc(c1OCCF)N 34a_200016994477_100011217306 [0,2,0,0,0,0|1,0,1]=4 10644 B12R1.1631 Nc1cccc(c1OCCO)Br 34a_100011934915_100000211926 [0,2,0,0,0,0|1,0,1]=4 10645 B12R1.1631 Nc1cccc(c1OCCO)Cl 34a_100000754742_100000211926 [0,2,0,0,0,0|1,0,1]=4 10646 B12R1.1631 Nc1cccc(c1OCCO)F 34a_100011934987_100000211926 [0,2,0,0,0,0|1,0,1]=4 10647 B12R1.1631 Nc1cccc(c1OCCO)I 34a_100010084371_100000211926 [0,2,0,0,0,0|1,0,1]=4 10648 B12R1.1631 Nc1cccc(c1OCCO)N 34a_200016994477_100000211926 [0,2,0,0,0,0|1,0,1]=4 10649 B12R1.1631 Nc1cccc(c1SCC=O)Br 62a_100020590159_200015260668 [0,2,0,0,0,0|1,1,0]=4 10650 B12R1.1631 Nc1cccc(c1SCC=O)Br 62a_200015260668_100020590159 [0,2,0,0,0,0|1,1,0]=4 10651 B12R1.1631 Nc1cccc(c1SCC=O)Cl 62a_100000049713_200015260668 [0,2,0,0,0,0|1,1,0]=4 10652 B12R1.1631 Nc1cccc(c1SCC=O)Cl 62a_200015260668_100000049713 [0,2,0,0,0,0|1,1,0]=4 10653 B12R1.1631 Nc1cccc(c1SCC=O)F 62a_100000690935_200015260668 [0,2,0,0,0,0|1,1,0]=4 10654 B12R1.1631 Nc1cccc(c1SCC=O)F 62a_200015260668_100000690935 [0,2,0,0,0,0|1,1,0]=4 10655 B12R1.1631 Nc1cccc(c1SCC=O)O 62a_100012183704_200015260668 [0,2,0,0,0,0|1,1,0]=4 10656 B12R1.1631 Nc1cccc(c1SCC=O)O 62a_200015260668_100012183704 [0,2,0,0,0,0|1,1,0]=4 10657 B12R1.1631 Nc1ccnc(c1OCC=O)Cl 34a_100009844647_200009817547 [0,2,0,0,0,0|2,0,0]=4 10658 B12R1.1631 Nc1ccnc(c1OCC=O)Cl 7a_100009844647_200015260668 [0,2,0,0,0,0|2,0,0]=4 10659 B12R1.1631 O=CCNc1c(cccc1Br)Br 34a_100000690995_200009817547 [0,2,0,0,0,0|2,0,0]=4 10660 B12R1.1631 O=CCNc1c(cccc1Br)Cl 34a_100102946385_200009817547 [0,2,0,0,0,0|2,0,0]=4 10661 B12R1.1631 O=CCNc1c(cccc1Br)F 34a_100000684712_200009817547 [0,2,0,0,0,0|2,0,0]=4 10662 B12R1.1631 O=CCNc1c(cccc1Br)O 34a_100011934926_200009817547 [0,2,0,0,0,0|2,0,0]=4 10663 B12R1.1631 O=CCNc1c(cccc1Cl)Cl 34a_100000210028_200009817547 [0,2,0,0,0,0|2,0,0]=4 10664 B12R1.1631 O=CCNc1c(cccc1Cl)F 34a_100000760031_200009817547 [0,2,0,0,0,0|2,0,0]=4 10665 B12R1.1631 O=CCNc1c(cccc1Cl)O 34a_100012022510_200009817547 [0,2,0,0,0,0|2,0,0]=4 10666 B12R1.1631 O=CCNc1c(cccc1F)F 2230a_100000210704_200015260668 [0,2,0,0,0,0|2,0,0]=4 10667 B12R1.1631 O=CCNc1c(cccc1F)F 34a_100000210704_200009817547 [0,2,0,0,0,0|2,0,0]=4 10668 B12R1.1631 O=CCNc1c(cccc1F)O 34a_100020591140_200009817547 [0,2,0,0,0,0|2,0,0]=4 10669 B12R1.1631 O=CCNc1c(cccc1I)F 34a_100000042321_200009817547 [0,2,0,0,0,0|2,0,0]=4 10670 B12R1.1631 O=CCOc1c(cccc1Br)Br 34a_100000736428_200009817547 [0,2,0,0,0,0|1,0,0]=3 10671 B12R1.1631 O=CCOc1c(cccc1Br)Br 7a_100000736428_200015260668 [0,2,0,0,0,0|1,0,0]=3 10672 B12R1.1631 O=CCOc1c(cccc1Br)Cl 34a_100010214474_200009817547 [0,2,0,0,0,0|1,0,0]=3 10673 B12R1.1631 O=CCOc1c(cccc1Br)Cl 7a_100010214474_200015260668 [0,2,0,0,0,0|1,0,0]=3 10674 B12R1.1631 O=CCOc1c(cccc1Br)F 34a_100009813666_200009817547 [0,2,0,0,0,0|1,0,0]=3 10675 B12R1.1631 O=CCOc1c(cccc1Br)F 7a_100009813666_200015260668 [0,2,0,0,0,0|1,0,0]=3 10676 B12R1.1631 O=CCOc1c(cccc1Cl)Cl 34a_100000211709_200009817547 [0,2,0,0,0,0|1,0,0]=3 10677 B12R1.1631 O=CCOc1c(cccc1Cl)Cl 7a_100000211709_200015260668 [0,2,0,0,0,0|1,0,0]=3 10678 B12R1.1631 O=CCOc1c(cccc1Cl)F 34a_100000694953_200009817547 [0,2,0,0,0,0|1,0,0]=3 10679 B12R1.1631 O=CCOc1c(cccc1Cl)F 7a_100000694953_200015260668 [0,2,0,0,0,0|1,0,0]=3 10680 B12R1.1631 O=CCOc1c(cccc1F)F 34a_100000230165_200009817547 [0,2,0,0,0,0|1,0,0]=3 10681 B12R1.1631 O=CCOc1c(cccc1F)F 7a_100000230165_200015260668 [0,2,0,0,0,0|1,0,0]=3 10682 B12R1.1631 O=CCOc1c(cccc1I)Br 34a_100010084509_200009817547 [0,2,0,0,0,0|1,0,0]=3 10683 B12R1.1631 O=CCOc1c(cccc1I)Br 7a_100010084509_200015260668 [0,2,0,0,0,0|1,0,0]=3 10684 B12R1.1631 O=CCOc1c(cccc1I)Cl 34a_100010202889_200009817547 [0,2,0,0,0,0|1,0,0]=3 10685 B12R1.1631 O=CCOc1c(cccc1I)Cl 7a_100010202889_200015260668 [0,2,0,0,0,0|1,0,0]=3 10686 B12R1.1631 O=CCOc1c(cccc1I)F 34a_100010186298_200009817547 [0,2,0,0,0,0|1,0,0]=3 10687 B12R1.1631 O=CCOc1c(cccc1I)F 7a_100010186298_200015260668 [0,2,0,0,0,0|1,0,0]=3 10688 B12R1.1631 O=CCOc1c(ccnc1Cl)Cl 34a_100000118450_200009817547 [0,2,0,0,0,0|2,0,0]=4 10689 B12R1.1631 O=CCOc1c(ccnc1Cl)Cl 7a_100000118450_200015260668 [0,2,0,0,0,0|2,0,0]=4 10690 B12R1.1631 O=CCOc1c(ccnc1Cl)F 34a_100009867227_200009817547 [0,2,0,0,0,0|2,0,0]=4 10691 B12R1.1631 O=CCOc1c(ccnc1Cl)F 7a_100009867227_200015260668 [0,2,0,0,0,0|2,0,0]=4 10692 B12R1.1631 O=CCOc1c(ccnc1Cl)I 34a_100010067911_200009817547 [0,2,0,0,0,0|2,0,0]=4 10693 B12R1.1631 O=CCOc1c(ccnc1Cl)I 7a_100010067911_200015260668 [0,2,0,0,0,0|2,0,0]=4 10694 B12R1.1631 O=CCSc1c(cccc1Br)Br 62a_100009994525_200015260668 [0,2,0,0,0,0|1,1,0]=4 10695 B12R1.1631 O=CCSc1c(cccc1Br)Br 62a_200015260668_100009994525 [0,2,0,0,0,0|1,1,0]=4 10696 B12R1.1631 O=CCSc1c(cccc1Br)Cl 62a_100010214488_200015260668 [0,2,0,0,0,0|1,1,0]=4 10697 B12R1.1631 O=CCSc1c(cccc1Br)Cl 62a_200015260668_100010214488 [0,2,0,0,0,0|1,1,0]=4 10698 B12R1.1631 O=CCSc1c(cccc1Br)F 62a_100011219512_200015260668 [0,2,0,0,0,0|1,1,0]=4 10699 B12R1.1631 O=CCSc1c(cccc1Br)F 62a_200015260668_100011219512 [0,2,0,0,0,0|1,1,0]=4 10700 B12R1.1631 O=CCSc1c(cccc1Br)O 62a_100010187912_200015260668 [0,2,0,0,0,0|1,1,0]=4 10701 B12R1.1631 O=CCSc1c(cccc1Br)O 62a_200015260668_100010187912 [0,2,0,0,0,0|1,1,0]=4 10702 B12R1.1631 O=CCSc1c(cccc1Cl)Cl 62a_100000034237_200015260668 [0,2,0,0,0,0|1,1,0]=4 10703 B12R1.1631 O=CCSc1c(cccc1Cl)Cl 62a_200015260668_100000034237 [0,2,0,0,0,0|1,1,0]=4 10704 B12R1.1631 O=CCSc1c(cccc1Cl)F 62a_100000050007_200015260668 [0,2,0,0,0,0|1,1,0]=4 10705 B12R1.1631 O=CCSc1c(cccc1Cl)F 62a_200015260668_100000050007 [0,2,0,0,0,0|1,1,0]=4 10706 B12R1.1631 O=CCSc1c(cccc1Cl)O 62a_200015260668_100000050174 [0,2,0,0,0,0|1,1,0]=4 10707 B12R1.1631 O=CCSc1c(cccc1F)F 62a_100000693133_200015260668 [0,2,0,0,0,0|1,1,0]=4 10708 B12R1.1631 O=CCSc1c(cccc1F)F 62a_200015260668_100000693133 [0,2,0,0,0,0|1,1,0]=4 10709 B12R1.1631 O=CCSc1c(cccc1F)O 62a_100009820682_200015260668 [0,2,0,0,0,0|1,1,0]=4 10710 B12R1.1631 O=CCSc1c(cccc1F)O 62a_200015260668_100009820682 [0,2,0,0,0,0|1,1,0]=4 10711 B12R1.1631 O=CCSc1c(cccc1O)O 62a_200015260668_100010205330 [0,2,0,0,0,0|1,1,0]=4 10712 B12R1.1631 OCCOc1c(cccc1Br)Br 34a_100000736428_100000211926 [0,2,0,0,0,0|1,0,1]=4 10713 B12R1.1631 OCCOc1c(cccc1Br)Br 7a_100000736428_100000211926 [0,2,0,0,0,0|1,0,1]=4 10714 B12R1.1631 OCCOc1c(cccc1Br)Cl 34a_100010214474_100000211926 [0,2,0,0,0,0|1,0,1]=4 10715 B12R1.1631 OCCOc1c(cccc1Br)Cl 7a_100010214474_100000211926 [0,2,0,0,0,0|1,0,1]=4 10716 B12R1.1631 OCCOc1c(cccc1Br)F 34a_100009813666_100000211926 [0,2,0,0,0,0|1,0,1]=4 10717 B12R1.1631 OCCOc1c(cccc1Br)F 7a_100009813666_100000211926 [0,2,0,0,0,0|1,0,1]=4 10718 B12R1.1631 OCCOc1c(cccc1Cl)Cl 34a_100000211709_100000211926 [0,2,0,0,0,0|1,0,1]=4 10719 B12R1.1631 OCCOc1c(cccc1Cl)Cl 7a_100000211709_100000211926 [0,2,0,0,0,0|1,0,1]=4 10720 B12R1.1631 OCCOc1c(cccc1Cl)F 34a_100000694953_100000211926 [0,2,0,0,0,0|1,0,1]=4 10721 B12R1.1631 OCCOc1c(cccc1Cl)F 7a_100000694953_100000211926 [0,2,0,0,0,0|1,0,1]=4 10722 B12R1.1631 OCCOc1c(cccc1F)F 34a_100000230165_100000211926 [0,2,0,0,0,0|1,0,1]=4 10723 B12R1.1631 OCCOc1c(cccc1F)F 7a_100000230165_100000211926 [0,2,0,0,0,0|1,0,1]=4 10724 B12R1.1631 OCCOc1c(cccc1I)Br 34a_100010084509_100000211926 [0,2,0,0,0,0|1,0,1]=4 10725 B12R1.1631 OCCOc1c(cccc1I)Br 7a_100010084509_100000211926 [0,2,0,0,0,0|1,0,1]=4 10726 B12R1.1631 OCCOc1c(cccc1I)Cl 34a_100010202889_100000211926 [0,2,0,0,0,0|1,0,1]=4 10727 B12R1.1631 OCCOc1c(cccc1I)Cl 7a_100010202889_100000211926 [0,2,0,0,0,0|1,0,1]=4 10728 B12R1.1631 OCCOc1c(cccc1I)F 34a_100010186298_100000211926 [0,2,0,0,0,0|1,0,1]=4 10729 B12R1.1631 OCCOc1c(cccc1I)F 7a_100010186298_100000211926 [0,2,0,0,0,0|1,0,1]=4 10730 B12R1.28 BrCCOCc1cccc(c1)Br 34a_100000211926_100000698116 [0,2,0,0,0,0|1,0,1]=4 10731 B12R1.28 BrCCOCc1cccc(c1)I 34a_100000211926_100011218688 [0,2,0,0,0,0|1,0,1]=4 10732 B12R1.28 C#CCCOc1cccc(c1)Br 34a_100000210342_100000688953 [0,2,0,0,0,0|0,0,2]=4 10733 B12R1.28 C#CCCOc1cccc(c1)Br 7a_100000210342_100000688953 [0,2,0,0,0,0|0,0,2]=4 10734 B12R1.28 C#CCCOc1cccc(c1)C 34a_100000210337_100000688953 [0,2,0,0,0,0|0,0,2]=4 10735 B12R1.28 C#CCCOc1cccc(c1)C 7a_100000210337_100000688953 [0,2,0,0,0,0|0,0,2]=4 10736 B12R1.28 C#CCCOc1cccc(c1)Cl 34a_100000210295_100000688953 [0,2,0,0,0,0|0,0,2]=4 10737 B12R1.28 C#CCCOc1cccc(c1)Cl 7a_100000210295_100000688953 [0,2,0,0,0,0|0,0,2]=4 10738 B12R1.28 C#CCCOc1cccc(c1)F 34a_100000210426_100000688953 [0,2,0,0,0,0|0,0,2]=4 10739 B12R1.28 C#CCCOc1cccc(c1)F 7a_100000210426_100000688953 [0,2,0,0,0,0|0,0,2]=4 10740 B12R1.28 C#CCCOc1cccc(c1)I 34a_100000211634_100000688953 [0,2,0,0,0,0|0,0,2]=4 10741 B12R1.28 C#CCCOc1cccc(c1)I 7a_100000211634_100000688953 [0,2,0,0,0,0|0,0,2]=4 10742 B12R1.28 C#CCCOc1cccc(c1)N 34a_100000210217_100000688953 [0,2,0,0,0,0|0,0,2]=4 10743 B12R1.28 C#CCOCc1cccc(c1)Br 34a_100000210247_100000698116 [0,2,0,0,0,0|0,0,2]=4 10744 B12R1.28 C#CCOCc1cccc(c1)Br 34a_100000687537_100000184674 [0,2,0,0,0,0|0,0,2]=4 10745 B12R1.28 C#CCOCc1cccc(c1)Br 7a_100000687537_100000038162 [0,2,0,0,0,0|0,0,2]=4 10746 B12R1.28 C#CCOCc1cccc(c1)C 34a_100000210247_100000211840 [0,2,0,0,0,0|0,0,2]=4 10747 B12R1.28 C#CCOCc1cccc(c1)C 34a_100011217746_100000184674 [0,2,0,0,0,0|0,0,2]=4 10748 B12R1.28 C#CCOCc1cccc(c1)C 7a_100011217746_100000038162 [0,2,0,0,0,0|0,0,2]=4 10749 B12R1.28 C#CCOCc1cccc(c1)Cl 34a_100000210247_100000187163 [0,2,0,0,0,0|0,0,2]=4 10750 B12R1.28 C#CCOCc1cccc(c1)Cl 34a_100000241301_100000184674 [0,2,0,0,0,0|0,0,2]=4 10751 B12R1.28 C#CCOCc1cccc(c1)Cl 7a_100000241301_100000038162 [0,2,0,0,0,0|0,0,2]=4 10752 B12R1.28 C#CCOCc1cccc(c1)F 34a_100000210247_100000187166 [0,2,0,0,0,0|0,0,2]=4 10753 B12R1.28 C#CCOCc1cccc(c1)F 34a_100000210976_100000184674 [0,2,0,0,0,0|0,0,2]=4 10754 B12R1.28 C#CCOCc1cccc(c1)F 7a_100000210976_100000038162 [0,2,0,0,0,0|0,0,2]=4 10755 B12R1.28 C#CCOCc1cccc(c1)I 34a_100000210247_100011218688 [0,2,0,0,0,0|0,0,2]=4 10756 B12R1.28 C#CCOCc1cccc(c1)I 34a_100011215336_100000184674 [0,2,0,0,0,0|0,0,2]=4 10757 B12R1.28 C#CCOCc1cccc(c1)I 7a_100011215336_100000038162 [0,2,0,0,0,0|0,0,2]=4 10758 B12R1.28 C#CCOCc1cccc(c1)N 34a_100000211919_100000184674 [0,2,0,0,0,0|0,0,2]=4 10759 B12R1.28 C#CCOCc1cccc(c1)O 34a_100000210247_100011660834 [0,2,0,0,0,0|0,0,2]=4 10760 B12R1.28 C/C=C/CNc1cccc(c1)Br 34a_100000210019_100102629194 [0,2,0,0,0,0|1,0,0]=3 10761 B12R1.28 C/C=C/CNc1cccc(c1)C 34a_100000188690_100102629194 [0,2,0,0,0,0|1,0,0]=3 10762 B12R1.28 C/C=C/CNc1cccc(c1)Cl 34a_100000185859_100102629194 [0,2,0,0,0,0|1,0,0]=3 10763 B12R1.28 C/C=C/CNc1cccc(c1)F 34a_100000210047_100102629194 [0,2,0,0,0,0|1,0,0]=3 10764 B12R1.28 C/C=C/CNc1cccc(c1)I 34a_100000211102_100102629194 [0,2,0,0,0,0|1,0,0]=3 10765 B12R1.28 C/C=C/CNc1cccc(c1)O 34a_100000210217_100102629194 [0,2,0,0,0,0|1,0,0]=3 10766 B12R1.28 C/C=C/COc1cc(cnn1)C 34a_100000766097_100102629194 [0,2,0,0,0,0|2,0,0]=4 10767 B12R1.28 C/C=C/COc1cc[nH]c(=O)c1 34a_100000032262_100102629194 [0,2,0,0,0,0|1,0,0]=3 10768 B12R1.28 C/C=C/COc1ccc[n+](c1)[O-] 34a_100000039713_100102629194 [0,2,0,0,0,0|1,0,0]=3 10769 B12R1.28 C/C=C/COc1ccc[n+](c1)[O-] 7a_100000039713_100102629194 [0,2,0,0,0,0|1,0,0]=3 10770 B12R1.28 C/C=C/COc1cccc(=O)[nH]1 34a_100000033347_100102629194 [0,2,0,0,0,0|1,0,0]=3 10771 B12R1.28 C/C=C/COc1cccc(c1)Br 34a_100000210342_100102629194 [0,2,0,0,0,0|0,0,0]=2 10772 B12R1.28 C/C=C/COc1cccc(c1)Br 7a_100000210342_100102629194 [0,2,0,0,0,0|0,0,0]=2 10773 B12R1.28 C/C=C/COc1cccc(c1)C 34a_100000210337_100102629194 [0,2,0,0,0,0|0,0,0]=2 10774 B12R1.28 C/C=C/COc1cccc(c1)C 7a_100000210337_100102629194 [0,2,0,0,0,0|0,0,0]=2 10775 B12R1.28 C/C=C/COc1cccc(c1)Cl 34a_100000210295_100102629194 [0,2,0,0,0,0|0,0,0]=2 10776 B12R1.28 C/C=C/COc1cccc(c1)Cl 7a_100000210295_100102629194 [0,2,0,0,0,0|0,0,0]=2 10777 B12R1.28 C/C=C/COc1cccc(c1)F 34a_100000210426_100102629194 [0,2,0,0,0,0|0,0,0]=2 10778 B12R1.28 C/C=C/COc1cccc(c1)F 7a_100000210426_100102629194 [0,2,0,0,0,0|0,0,0]=2 10779 B12R1.28 C/C=C/COc1cccc(c1)I 34a_100000211634_100102629194 [0,2,0,0,0,0|0,0,0]=2 10780 B12R1.28 C/C=C/COc1cccc(c1)I 7a_100000211634_100102629194 [0,2,0,0,0,0|0,0,0]=2 10781 B12R1.28 C/C=C/COc1cccc(c1)N 34a_100000210217_100102629194 [0,2,0,0,0,0|0,0,0]=2 10782 B12R1.28 C/C=C/COc1cccc(n1)F 34a_100011432558_100102629194 [0,2,0,0,0,0|1,0,0]=3 10783 B12R1.28 C/C=C/COc1ccnc(c1)C 34a_100000688365_100102629194 [0,2,0,0,0,0|1,0,0]=3 10784 B12R1.28 C/C=C/COc1ccnc(c1)Cl 34a_100000762945_100102629194 [0,2,0,0,0,0|1,0,0]=3 10785 B12R1.28 C/C=C/COc1ccnc(c1)F 34a_100000732698_100102629194 [0,2,0,0,0,0|1,0,0]=3 10786 B12R1.28 C/C=C/COc1ccnc(c1)N 34a_100011834064_100102629194 [0,2,0,0,0,0|1,0,0]=3 10787 B12R1.28 C/C=C/COc1cncc(c1)Br 34a_100000754920_100102629194 [0,2,0,0,0,0|1,0,0]=3 10788 B12R1.28 C/C=C/COc1cncc(c1)Br 7a_100000754920_100102629194 [0,2,0,0,0,0|1,0,0]=3 10789 B12R1.28 C/C=C/COc1cncc(c1)C 34a_100011830280_100102629194 [0,2,0,0,0,0|1,0,0]=3 10790 B12R1.28 C/C=C/COc1cncc(c1)C 7a_100011830280_100102629194 [0,2,0,0,0,0|1,0,0]=3 10791 B12R1.28 C/C=C/COc1cncc(c1)Cl 7a_100000032511_100102629194 [0,2,0,0,0,0|1,0,0]=3 10792 B12R1.28 C/C=C/COc1cncc(c1)F 34a_100011830296_100102629194 [0,2,0,0,0,0|1,0,0]=3 10793 B12R1.28 C/C=C/COc1cncc(c1)F 7a_100011830296_100102629194 [0,2,0,0,0,0|1,0,0]=3 10794 B12R1.28 C/C=C/COc1cncc(c1)N 34a_100011997051_100102629194 [0,2,0,0,0,0|1,0,0]=3 10795 B12R1.28 C/C=C/COc1cnnc(c1)Cl 34a_200010734679_100102629194 [0,2,0,0,0,0|2,0,0]=4 10796 B12R1.28 C/C=C/COc1cnnc(c1)N 34a_200015193112_100102629194 [0,2,0,0,0,0|2,0,0]=4 10797 B12R1.28 C/C=C/CSc1cc(=O)cc[nH]1 62a_100009817434_100102629194 [0,2,0,0,0,0|1,1,0]=4 10798 B12R1.28 C/C=C/CSc1cc(ccn1)C 62a_100000750283_100102629194 [0,2,0,0,0,0|1,1,0]=4 10799 B12R1.28 C/C=C/CSc1cc(ccn1)C 62a_100102629194_100000750283 [0,2,0,0,0,0|1,1,0]=4 10800 B12R1.28 C/C=C/CSc1cc(ccn1)Cl 62a_100010167805_100102629194 [0,2,0,0,0,0|1,1,0]=4 10801 B12R1.28 C/C=C/CSc1cc(ccn1)Cl 62a_100102629194_100010167805 [0,2,0,0,0,0|1,1,0]=4 10802 B12R1.28 C/C=C/CSc1cc(ccn1)F 62a_100000764206_100102629194 [0,2,0,0,0,0|1,1,0]=4 10803 B12R1.28 C/C=C/CSc1cc(ccn1)F 62a_100102629194_100000764206 [0,2,0,0,0,0|1,1,0]=4 10804 B12R1.28 C/C=C/CSc1cc(ccn1)N 62a_100009814236_100102629194 [0,2,0,0,0,0|1,1,0]=4 10805 B12R1.28 C/C=C/CSc1cc(ccn1)N 62a_100102629194_100009814236 [0,2,0,0,0,0|1,1,0]=4 10806 B12R1.28 C/C=C/CSc1cc(ccn1)O 62a_100102629194_100000762945 [0,2,0,0,0,0|1,1,0]=4 10807 B12R1.28 C/C=C/CSc1cc[nH]c(=O)c1 62a_100009816521_100102629194 [0,2,0,0,0,0|1,1,0]=4 10808 B12R1.28 C/C=C/CSc1cc[nH]c(=O)c1 62a_100102629194_100009816521 [0,2,0,0,0,0|1,1,0]=4 10809 B12R1.28 C/C=C/CSc1ccc[n+](c1)C 62a_100009996589_100102629194 [0,2,0,0,0,0|1,1,0]=4 10810 B12R1.28 C/C=C/CSc1ccc[n+](c1)C 62a_100102629194_100009996589 [0,2,0,0,0,0|1,1,0]=4 10811 B12R1.28 C/C=C/CSc1ccc[n+](c1)[O-] 62a_100102629194_100009815978 [0,2,0,0,0,0|1,1,0]=4 10812 B12R1.28 C/C=C/CSc1cccc(=O)[nH]1 62a_100102629194_100000752884 [0,2,0,0,0,0|1,1,0]=4 10813 B12R1.28 C/C=C/CSc1cccc(c1)Br 62a_100000691529_100102629194 [0,2,0,0,0,0|0,1,0]=3 10814 B12R1.28 C/C=C/CSc1cccc(c1)Br 62a_100102629194_100000691529 [0,2,0,0,0,0|0,1,0]=3 10815 B12R1.28 C/C=C/CSc1cccc(c1)C 62a_100011215228_100102629194 [0,2,0,0,0,0|0,1,0]=3 10816 B12R1.28 C/C=C/CSc1cccc(c1)C 62a_100102629194_100011215228 [0,2,0,0,0,0|0,1,0]=3 10817 B12R1.28 C/C=C/CSc1cccc(c1)Cl 62a_100000699651_100102629194 [0,2,0,0,0,0|0,1,0]=3 10818 B12R1.28 C/C=C/CSc1cccc(c1)Cl 62a_100102629194_100000699651 [0,2,0,0,0,0|0,1,0]=3 10819 B12R1.28 C/C=C/CSc1cccc(c1)F 62a_100000685547_100102629194 [0,2,0,0,0,0|0,1,0]=3 10820 B12R1.28 C/C=C/CSc1cccc(c1)F 62a_100102629194_100000685547 [0,2,0,0,0,0|0,1,0]=3 10821 B12R1.28 C/C=C/CSc1cccc(c1)N 62a_100000210019_100102629194 [0,2,0,0,0,0|0,1,0]=3 10822 B12R1.28 C/C=C/CSc1cccc(c1)N 62a_100102629194_100000210019 [0,2,0,0,0,0|0,1,0]=3 10823 B12R1.28 C/C=C/CSc1cccc(c1)O 62a_100102629194_100000211634 [0,2,0,0,0,0|0,1,0]=3 10824 B12R1.28 C/C=C/CSc1cccc(c1)[S] 62a_100102629194_114929384022 [0,2,0,0,0,0|0,1,0]=3 10825 B12R1.28 C/C=C/CSc1cccc(c1)[S] 62a_114929384022_100102629194 [0,2,0,0,0,0|0,1,0]=3 10826 B12R1.28 C/C=C/CSc1cccc(n1)Br 62a_100000684672_100102629194 [0,2,0,0,0,0|1,1,0]=4 10827 B12R1.28 C/C=C/CSc1cccc(n1)Br 62a_100102629194_100000684672 [0,2,0,0,0,0|1,1,0]=4 10828 B12R1.28 C/C=C/CSc1cccc(n1)C 62a_100000742759_100102629194 [0,2,0,0,0,0|1,1,0]=4 10829 B12R1.28 C/C=C/CSc1cccc(n1)C 62a_100102629194_100000742759 [0,2,0,0,0,0|1,1,0]=4 10830 B12R1.28 C/C=C/CSc1cccc(n1)Cl 62a_100000051397_100102629194 [0,2,0,0,0,0|1,1,0]=4 10831 B12R1.28 C/C=C/CSc1cccc(n1)Cl 62a_100102629194_100000051397 [0,2,0,0,0,0|1,1,0]=4 10832 B12R1.28 C/C=C/CSc1cccc(n1)F 62a_100009815982_100102629194 [0,2,0,0,0,0|1,1,0]=4 10833 B12R1.28 C/C=C/CSc1cccc(n1)F 62a_100102629194_100009815982 [0,2,0,0,0,0|1,1,0]=4 10834 B12R1.28 C/C=C/CSc1cccc(n1)N 62a_100000740741_100102629194 [0,2,0,0,0,0|1,1,0]=4 10835 B12R1.28 C/C=C/CSc1cccc(n1)N 62a_100102629194_100000740741 [0,2,0,0,0,0|1,1,0]=4 10836 B12R1.28 C/C=C/CSc1ccnc(c1)Br 62a_100009814637_100102629194 [0,2,0,0,0,0|1,1,0]=4 10837 B12R1.28 C/C=C/CSc1ccnc(c1)Br 62a_100102629194_100009814637 [0,2,0,0,0,0|1,1,0]=4 10838 B12R1.28 C/C=C/CSc1ccnc(c1)C 62a_100000758586_100102629194 [0,2,0,0,0,0|1,1,0]=4 10839 B12R1.28 C/C=C/CSc1ccnc(c1)C 62a_100102629194_100000758586 [0,2,0,0,0,0|1,1,0]=4 10840 B12R1.28 C/C=C/CSc1ccnc(c1)Cl 62a_100000035001_100102629194 [0,2,0,0,0,0|1,1,0]=4 10841 B12R1.28 C/C=C/CSc1ccnc(c1)Cl 62a_100102629194_100000035001 [0,2,0,0,0,0|1,1,0]=4 10842 B12R1.28 C/C=C/CSc1ccnc(c1)F 62a_100009816116_100102629194 [0,2,0,0,0,0|1,1,0]=4 10843 B12R1.28 C/C=C/CSc1ccnc(c1)F 62a_100102629194_100009816116 [0,2,0,0,0,0|1,1,0]=4 10844 B12R1.28 C/C=C/CSc1ccnc(c1)N 62a_100000049665_100102629194 [0,2,0,0,0,0|1,1,0]=4 10845 B12R1.28 C/C=C/CSc1ccnc(c1)N 62a_100102629194_100000049665 [0,2,0,0,0,0|1,1,0]=4 10846 B12R1.28 C/C=C/CSc1cncc(c1)Br 62a_100000728054_100102629194 [0,2,0,0,0,0|1,1,0]=4 10847 B12R1.28 C/C=C/CSc1cncc(c1)Br 62a_100102629194_100000728054 [0,2,0,0,0,0|1,1,0]=4 10848 B12R1.28 C/C=C/CSc1cncc(c1)C 62a_100000760492_100102629194 [0,2,0,0,0,0|1,1,0]=4 10849 B12R1.28 C/C=C/CSc1cncc(c1)C 62a_100102629194_100000760492 [0,2,0,0,0,0|1,1,0]=4 10850 B12R1.28 C/C=C/CSc1cncc(c1)Cl 62a_100000049639_100102629194 [0,2,0,0,0,0|1,1,0]=4 10851 B12R1.28 C/C=C/CSc1cncc(c1)Cl 62a_100102629194_100000049639 [0,2,0,0,0,0|1,1,0]=4 10852 B12R1.28 C/C=C/CSc1cncc(c1)F 62a_100000744099_100102629194 [0,2,0,0,0,0|1,1,0]=4 10853 B12R1.28 C/C=C/CSc1cncc(c1)F 62a_100102629194_100000744099 [0,2,0,0,0,0|1,1,0]=4 10854 B12R1.28 C/C=C/CSc1cncc(c1)N 62a_100000687067_100102629194 [0,2,0,0,0,0|1,1,0]=4 10855 B12R1.28 C/C=C/CSc1cncc(c1)N 62a_100102629194_100000687067 [0,2,0,0,0,0|1,1,0]=4 10856 B12R1.28 C/C=C/CSc1cncc(c1)O 62a_100000754920_100102629194 [0,2,0,0,0,0|1,1,0]=4 10857 B12R1.28 C/C=C/CSc1cncc(c1)O 62a_100102629194_100000754920 [0,2,0,0,0,0|1,1,0]=4 10858 B12R1.28 C=CCCNc1cc(ccn1)F 27a_100015191253_100000764206 [0,2,0,0,0,0|2,0,0]=4 10859 B12R1.28 C=CCCNc1cc[nH]c(=O)c1 27a_100015191253_100000061649 [0,2,0,0,0,0|2,0,0]=4 10860 B12R1.28 C=CCCNc1cccc(c1)Br 34a_100000210019_100000754431 [0,2,0,0,0,0|1,0,0]=3 10861 B12R1.28 C=CCCNc1cccc(c1)C 2230a_100000188690_100000754431 [0,2,0,0,0,0|1,0,0]=3 10862 B12R1.28 C=CCCNc1cccc(c1)C 34a_100000188690_100000754431 [0,2,0,0,0,0|1,0,0]=3 10863 B12R1.28 C=CCCNc1cccc(c1)Cl 34a_100000185859_100000754431 [0,2,0,0,0,0|1,0,0]=3 10864 B12R1.28 C=CCCNc1cccc(c1)F 34a_100000210047_100000754431 [0,2,0,0,0,0|1,0,0]=3 10865 B12R1.28 C=CCCNc1cccc(c1)I 34a_100000211102_100000754431 [0,2,0,0,0,0|1,0,0]=3 10866 B12R1.28 C=CCCNc1cccc(c1)O 34a_100000210217_100000754431 [0,2,0,0,0,0|1,0,0]=3 10867 B12R1.28 C=CCCNc1cccc(n1)F 27a_100015191253_100009815982 [0,2,0,0,0,0|2,0,0]=4 10868 B12R1.28 C=CCCNc1ccnc(c1)C 27a_100015191253_100000758586 [0,2,0,0,0,0|2,0,0]=4 10869 B12R1.28 C=CCCNc1ccnc(c1)F 27a_100015191253_100009816116 [0,2,0,0,0,0|2,0,0]=4 10870 B12R1.28 C=CCCOc1cc(cnn1)C 34a_100000766097_100000754431 [0,2,0,0,0,0|2,0,0]=4 10871 B12R1.28 C=CCCOc1cc[nH]c(=O)c1 34a_100000032262_100000754431 [0,2,0,0,0,0|1,0,0]=3 10872 B12R1.28 C=CCCOc1ccc[n+](c1)[O-] 34a_100000039713_100000754431 [0,2,0,0,0,0|1,0,0]=3 10873 B12R1.28 C=CCCOc1ccc[n+](c1)[O-] 7a_100000039713_100000754431 [0,2,0,0,0,0|1,0,0]=3 10874 B12R1.28 C=CCCOc1cccc(=O)[nH]1 34a_100000033347_100000754431 [0,2,0,0,0,0|1,0,0]=3 10875 B12R1.28 C=CCCOc1cccc(c1)Br 34a_100000210342_100000754431 [0,2,0,0,0,0|0,0,0]=2 10876 B12R1.28 C=CCCOc1cccc(c1)Br 7a_100000210342_100000754431 [0,2,0,0,0,0|0,0,0]=2 10877 B12R1.28 C=CCCOc1cccc(c1)C 34a_100000210337_100000754431 [0,2,0,0,0,0|0,0,0]=2 10878 B12R1.28 C=CCCOc1cccc(c1)C 7a_100000210337_100000754431 [0,2,0,0,0,0|0,0,0]=2 10879 B12R1.28 C=CCCOc1cccc(c1)Cl 34a_100000210295_100000754431 [0,2,0,0,0,0|0,0,0]=2 10880 B12R1.28 C=CCCOc1cccc(c1)Cl 7a_100000210295_100000754431 [0,2,0,0,0,0|0,0,0]=2 10881 B12R1.28 C=CCCOc1cccc(c1)F 34a_100000210426_100000754431 [0,2,0,0,0,0|0,0,0]=2 10882 B12R1.28 C=CCCOc1cccc(c1)F 7a_100000210426_100000754431 [0,2,0,0,0,0|0,0,0]=2 10883 B12R1.28 C=CCCOc1cccc(c1)I 34a_100000211634_100000754431 [0,2,0,0,0,0|0,0,0]=2 10884 B12R1.28 C=CCCOc1cccc(c1)I 7a_100000211634_100000754431 [0,2,0,0,0,0|0,0,0]=2 10885 B12R1.28 C=CCCOc1cccc(c1)N 34a_100000210217_100000754431 [0,2,0,0,0,0|0,0,0]=2 10886 B12R1.28 C=CCCOc1cccc(n1)F 34a_100011432558_100000754431 [0,2,0,0,0,0|1,0,0]=3 10887 B12R1.28 C=CCCOc1ccnc(c1)C 34a_100000688365_100000754431 [0,2,0,0,0,0|1,0,0]=3 10888 B12R1.28 C=CCCOc1ccnc(c1)Cl 34a_100000762945_100000754431 [0,2,0,0,0,0|1,0,0]=3 10889 B12R1.28 C=CCCOc1ccnc(c1)F 34a_100000732698_100000754431 [0,2,0,0,0,0|1,0,0]=3 10890 B12R1.28 C=CCCOc1ccnc(c1)N 34a_100011834064_100000754431 [0,2,0,0,0,0|1,0,0]=3 10891 B12R1.28 C=CCCOc1cncc(c1)Br 34a_100000754920_100000754431 [0,2,0,0,0,0|1,0,0]=3 10892 B12R1.28 C=CCCOc1cncc(c1)Br 7a_100000754920_100000754431 [0,2,0,0,0,0|1,0,0]=3 10893 B12R1.28 C=CCCOc1cncc(c1)C 34a_100011830280_100000754431 [0,2,0,0,0,0|1,0,0]=3 10894 B12R1.28 C=CCCOc1cncc(c1)C 7a_100011830280_100000754431 [0,2,0,0,0,0|1,0,0]=3 10895 B12R1.28 C=CCCOc1cncc(c1)Cl 7a_100000032511_100000754431 [0,2,0,0,0,0|1,0,0]=3 10896 B12R1.28 C=CCCOc1cncc(c1)F 34a_100011830296_100000754431 [0,2,0,0,0,0|1,0,0]=3 10897 B12R1.28 C=CCCOc1cncc(c1)F 7a_100011830296_100000754431 [0,2,0,0,0,0|1,0,0]=3 10898 B12R1.28 C=CCCOc1cncc(c1)N 34a_100011997051_100000754431 [0,2,0,0,0,0|1,0,0]=3 10899 B12R1.28 C=CCCOc1cnnc(c1)Cl 34a_200010734679_100000754431 [0,2,0,0,0,0|2,0,0]=4 10900 B12R1.28 C=CCCOc1cnnc(c1)N 34a_200015193112_100000754431 [0,2,0,0,0,0|2,0,0]=4 10901 B12R1.28 C=CCCSc1cc(=O)cc[nH]1 62a_100009817434_100000754431 [0,2,0,0,0,0|1,1,0]=4 10902 B12R1.28 C=CCCSc1cc(ccn1)C 62a_100000750283_100000754431 [0,2,0,0,0,0|1,1,0]=4 10903 B12R1.28 C=CCCSc1cc(ccn1)C 62a_100000754431_100000750283 [0,2,0,0,0,0|1,1,0]=4 10904 B12R1.28 C=CCCSc1cc(ccn1)Cl 62a_100000754431_100010167805 [0,2,0,0,0,0|1,1,0]=4 10905 B12R1.28 C=CCCSc1cc(ccn1)Cl 62a_100010167805_100000754431 [0,2,0,0,0,0|1,1,0]=4 10906 B12R1.28 C=CCCSc1cc(ccn1)F 62a_100000754431_100000764206 [0,2,0,0,0,0|1,1,0]=4 10907 B12R1.28 C=CCCSc1cc(ccn1)F 62a_100000764206_100000754431 [0,2,0,0,0,0|1,1,0]=4 10908 B12R1.28 C=CCCSc1cc(ccn1)N 62a_100000754431_100009814236 [0,2,0,0,0,0|1,1,0]=4 10909 B12R1.28 C=CCCSc1cc(ccn1)N 62a_100009814236_100000754431 [0,2,0,0,0,0|1,1,0]=4 10910 B12R1.28 C=CCCSc1cc(ccn1)O 62a_100000754431_100000762945 [0,2,0,0,0,0|1,1,0]=4 10911 B12R1.28 C=CCCSc1cc[nH]c(=O)c1 62a_100000754431_100009816521 [0,2,0,0,0,0|1,1,0]=4 10912 B12R1.28 C=CCCSc1cc[nH]c(=O)c1 62a_100009816521_100000754431 [0,2,0,0,0,0|1,1,0]=4 10913 B12R1.28 C=CCCSc1ccc[n+](c1)C 62a_100000754431_100009996589 [0,2,0,0,0,0|1,1,0]=4 10914 B12R1.28 C=CCCSc1ccc[n+](c1)C 62a_100009996589_100000754431 [0,2,0,0,0,0|1,1,0]=4 10915 B12R1.28 C=CCCSc1ccc[n+](c1)[O-] 62a_100000754431_100009815978 [0,2,0,0,0,0|1,1,0]=4 10916 B12R1.28 C=CCCSc1cccc(=O)[nH]1 62a_100000754431_100000752884 [0,2,0,0,0,0|1,1,0]=4 10917 B12R1.28 C=CCCSc1cccc(c1)Br 62a_100000691529_100000754431 [0,2,0,0,0,0|0,1,0]=3 10918 B12R1.28 C=CCCSc1cccc(c1)Br 62a_100000754431_100000691529 [0,2,0,0,0,0|0,1,0]=3 10919 B12R1.28 C=CCCSc1cccc(c1)C 62a_100000754431_100011215228 [0,2,0,0,0,0|0,1,0]=3 10920 B12R1.28 C=CCCSc1cccc(c1)C 62a_100011215228_100000754431 [0,2,0,0,0,0|0,1,0]=3 10921 B12R1.28 C=CCCSc1cccc(c1)Cl 62a_100000699651_100000754431 [0,2,0,0,0,0|0,1,0]=3 10922 B12R1.28 C=CCCSc1cccc(c1)Cl 62a_100000754431_100000699651 [0,2,0,0,0,0|0,1,0]=3 10923 B12R1.28 C=CCCSc1cccc(c1)F 62a_100000685547_100000754431 [0,2,0,0,0,0|0,1,0]=3 10924 B12R1.28 C=CCCSc1cccc(c1)F 62a_100000754431_100000685547 [0,2,0,0,0,0|0,1,0]=3 10925 B12R1.28 C=CCCSc1cccc(c1)N 62a_100000210019_100000754431 [0,2,0,0,0,0|0,1,0]=3 10926 B12R1.28 C=CCCSc1cccc(c1)N 62a_100000754431_100000210019 [0,2,0,0,0,0|0,1,0]=3 10927 B12R1.28 C=CCCSc1cccc(c1)O 62a_100000754431_100000211634 [0,2,0,0,0,0|0,1,0]=3 10928 B12R1.28 C=CCCSc1cccc(c1)[S] 62a_100000754431_114929384022 [0,2,0,0,0,0|0,1,0]=3 10929 B12R1.28 C=CCCSc1cccc(c1)[S] 62a_114929384022_100000754431 [0,2,0,0,0,0|0,1,0]=3 10930 B12R1.28 C=CCCSc1cccc(n1)Br 62a_100000684672_100000754431 [0,2,0,0,0,0|1,1,0]=4 10931 B12R1.28 C=CCCSc1cccc(n1)Br 62a_100000754431_100000684672 [0,2,0,0,0,0|1,1,0]=4 10932 B12R1.28 C=CCCSc1cccc(n1)C 62a_100000742759_100000754431 [0,2,0,0,0,0|1,1,0]=4 10933 B12R1.28 C=CCCSc1cccc(n1)C 62a_100000754431_100000742759 [0,2,0,0,0,0|1,1,0]=4 10934 B12R1.28 C=CCCSc1cccc(n1)Cl 62a_100000051397_100000754431 [0,2,0,0,0,0|1,1,0]=4 10935 B12R1.28 C=CCCSc1cccc(n1)Cl 62a_100000754431_100000051397 [0,2,0,0,0,0|1,1,0]=4 10936 B12R1.28 C=CCCSc1cccc(n1)F 62a_100000754431_100009815982 [0,2,0,0,0,0|1,1,0]=4 10937 B12R1.28 C=CCCSc1cccc(n1)F 62a_100009815982_100000754431 [0,2,0,0,0,0|1,1,0]=4 10938 B12R1.28 C=CCCSc1cccc(n1)N 62a_100000740741_100000754431 [0,2,0,0,0,0|1,1,0]=4 10939 B12R1.28 C=CCCSc1cccc(n1)N 62a_100000754431_100000740741 [0,2,0,0,0,0|1,1,0]=4 10940 B12R1.28 C=CCCSc1ccnc(c1)Br 62a_100000754431_100009814637 [0,2,0,0,0,0|1,1,0]=4 10941 B12R1.28 C=CCCSc1ccnc(c1)Br 62a_100009814637_100000754431 [0,2,0,0,0,0|1,1,0]=4 10942 B12R1.28 C=CCCSc1ccnc(c1)C 62a_100000754431_100000758586 [0,2,0,0,0,0|1,1,0]=4 10943 B12R1.28 C=CCCSc1ccnc(c1)C 62a_100000758586_100000754431 [0,2,0,0,0,0|1,1,0]=4 10944 B12R1.28 C=CCCSc1ccnc(c1)Cl 62a_100000035001_100000754431 [0,2,0,0,0,0|1,1,0]=4 10945 B12R1.28 C=CCCSc1ccnc(c1)Cl 62a_100000754431_100000035001 [0,2,0,0,0,0|1,1,0]=4 10946 B12R1.28 C=CCCSc1ccnc(c1)F 62a_100000754431_100009816116 [0,2,0,0,0,0|1,1,0]=4 10947 B12R1.28 C=CCCSc1ccnc(c1)F 62a_100009816116_100000754431 [0,2,0,0,0,0|1,1,0]=4 10948 B12R1.28 C=CCCSc1ccnc(c1)N 62a_100000049665_100000754431 [0,2,0,0,0,0|1,1,0]=4 10949 B12R1.28 C=CCCSc1ccnc(c1)N 62a_100000754431_100000049665 [0,2,0,0,0,0|1,1,0]=4 10950 B12R1.28 C=CCCSc1cncc(c1)Br 62a_100000728054_100000754431 [0,2,0,0,0,0|1,1,0]=4 10951 B12R1.28 C=CCCSc1cncc(c1)Br 62a_100000754431_100000728054 [0,2,0,0,0,0|1,1,0]=4 10952 B12R1.28 C=CCCSc1cncc(c1)C 62a_100000754431_100000760492 [0,2,0,0,0,0|1,1,0]=4 10953 B12R1.28 C=CCCSc1cncc(c1)C 62a_100000760492_100000754431 [0,2,0,0,0,0|1,1,0]=4 10954 B12R1.28 C=CCCSc1cncc(c1)Cl 62a_100000049639_100000754431 [0,2,0,0,0,0|1,1,0]=4 10955 B12R1.28 C=CCCSc1cncc(c1)Cl 62a_100000754431_100000049639 [0,2,0,0,0,0|1,1,0]=4 10956 B12R1.28 C=CCCSc1cncc(c1)F 62a_100000744099_100000754431 [0,2,0,0,0,0|1,1,0]=4 10957 B12R1.28 C=CCCSc1cncc(c1)F 62a_100000754431_100000744099 [0,2,0,0,0,0|1,1,0]=4 10958 B12R1.28 C=CCCSc1cncc(c1)N 62a_100000687067_100000754431 [0,2,0,0,0,0|1,1,0]=4 10959 B12R1.28 C=CCCSc1cncc(c1)N 62a_100000754431_100000687067 [0,2,0,0,0,0|1,1,0]=4 10960 B12R1.28 C=CCCSc1cncc(c1)O 62a_100000754431_100000754920 [0,2,0,0,0,0|1,1,0]=4 10961 B12R1.28 C=CCCSc1cncc(c1)O 62a_100000754920_100000754431 [0,2,0,0,0,0|1,1,0]=4 10962 B12R1.28 C=CCNCc1cc(ccn1)Br 2230a_100020586998_100010173614 [0,2,0,0,0,0|2,0,0]=4 10963 B12R1.28 C=CCNCc1cc(ccn1)Br 270004a_100020586998_100009818557 [0,2,0,0,0,0|2,0,0]=4 10964 B12R1.28 C=CCNCc1cc(ccn1)C 2230a_100020586998_100000718516 [0,2,0,0,0,0|2,0,0]=4 10965 B12R1.28 C=CCNCc1cc(ccn1)C 270004a_100020586998_100011361488 [0,2,0,0,0,0|2,0,0]=4 10966 B12R1.28 C=CCNCc1cc(ccn1)Cl 2230a_100020586998_100016988179 [0,2,0,0,0,0|2,0,0]=4 10967 B12R1.28 C=CCNCc1cc(ccn1)Cl 270004a_100020586998_100011998288 [0,2,0,0,0,0|2,0,0]=4 10968 B12R1.28 C=CCNCc1cccc(=O)[nH]1 2230a_100000696482_100000210623 [0,2,0,0,0,0|2,0,0]=4 10969 B12R1.28 C=CCNCc1cccc(c1)Br 2230a_100000174977_100000210623 [0,2,0,0,0,0|1,0,0]=3 10970 B12R1.28 C=CCNCc1cccc(c1)Br 2230a_100020586998_100000698116 [0,2,0,0,0,0|1,0,0]=3 10971 B12R1.28 C=CCNCc1cccc(c1)Br 270004a_100020586998_100000210085 [0,2,0,0,0,0|1,0,0]=3 10972 B12R1.28 C=CCNCc1cccc(c1)Br 34a_100000174977_100015514636 [0,2,0,0,0,0|1,0,0]=3 10973 B12R1.28 C=CCNCc1cccc(c1)C 2230a_100000185548_100000210623 [0,2,0,0,0,0|1,0,0]=3 10974 B12R1.28 C=CCNCc1cccc(c1)C 2230a_100020586998_100000211840 [0,2,0,0,0,0|1,0,0]=3 10975 B12R1.28 C=CCNCc1cccc(c1)C 270004a_100020586998_100000211157 [0,2,0,0,0,0|1,0,0]=3 10976 B12R1.28 C=CCNCc1cccc(c1)C 34a_100000185548_100015514636 [0,2,0,0,0,0|1,0,0]=3 10977 B12R1.28 C=CCNCc1cccc(c1)Cl 2230a_100000174878_100000210623 [0,2,0,0,0,0|1,0,0]=3 10978 B12R1.28 C=CCNCc1cccc(c1)Cl 2230a_100020586998_100000181238 [0,2,0,0,0,0|1,0,0]=3 10979 B12R1.28 C=CCNCc1cccc(c1)Cl 270004a_100020586998_100000210801 [0,2,0,0,0,0|1,0,0]=3 10980 B12R1.28 C=CCNCc1cccc(c1)Cl 34a_100000174878_100015514636 [0,2,0,0,0,0|1,0,0]=3 10981 B12R1.28 C=CCNCc1cccc(c1)F 2230a_100000174948_100000210623 [0,2,0,0,0,0|1,0,0]=3 10982 B12R1.28 C=CCNCc1cccc(c1)F 2230a_100020586998_100000230114 [0,2,0,0,0,0|1,0,0]=3 10983 B12R1.28 C=CCNCc1cccc(c1)F 270004a_100020586998_100000210812 [0,2,0,0,0,0|1,0,0]=3 10984 B12R1.28 C=CCNCc1cccc(c1)F 34a_100000174948_100015514636 [0,2,0,0,0,0|1,0,0]=3 10985 B12R1.28 C=CCNCc1cccc(c1)I 2230a_100000106179_100000210623 [0,2,0,0,0,0|1,0,0]=3 10986 B12R1.28 C=CCNCc1cccc(c1)I 2230a_100020586998_100011218688 [0,2,0,0,0,0|1,0,0]=3 10987 B12R1.28 C=CCNCc1cccc(c1)I 270004a_100020586998_100000014684 [0,2,0,0,0,0|1,0,0]=3 10988 B12R1.28 C=CCNCc1cccc(c1)I 34a_100000106179_100015514636 [0,2,0,0,0,0|1,0,0]=3 10989 B12R1.28 C=CCNCc1cccc(c1)O 2230a_100000743036_100000210623 [0,2,0,0,0,0|1,0,0]=3 10990 B12R1.28 C=CCNCc1cccc(c1)O 2230a_100020586998_100011660834 [0,2,0,0,0,0|1,0,0]=3 10991 B12R1.28 C=CCNCc1cccc(c1)O 270004a_100020586998_100000188321 [0,2,0,0,0,0|1,0,0]=3 10992 B12R1.28 C=CCNCc1cccc(c1)O 34a_100000743036_100015514636 [0,2,0,0,0,0|1,0,0]=3 10993 B12R1.28 C=CCNCc1cccc(n1)Br 2230a_100016987751_100000210623 [0,2,0,0,0,0|2,0,0]=4 10994 B12R1.28 C=CCNCc1cccc(n1)Br 2230a_100020586998_100009889011 [0,2,0,0,0,0|2,0,0]=4 10995 B12R1.28 C=CCNCc1cccc(n1)Br 270004a_100020586998_100000688028 [0,2,0,0,0,0|2,0,0]=4 10996 B12R1.28 C=CCNCc1cccc(n1)C 2230a_100020586998_100000757606 [0,2,0,0,0,0|2,0,0]=4 10997 B12R1.28 C=CCNCc1cccc(n1)C 270004a_100020586998_100011215050 [0,2,0,0,0,0|2,0,0]=4 10998 B12R1.28 C=CCNCc1cccc(n1)C 34a_100000701342_100015514636 [0,2,0,0,0,0|2,0,0]=4 10999 B12R1.28 C=CCNCc1cccc(n1)Cl 2230a_100016990191_100000210623 [0,2,0,0,0,0|2,0,0]=4 11000 B12R1.28 C=CCNCc1cccc(n1)Cl 2230a_100020586998_100000086093 [0,2,0,0,0,0|2,0,0]=4 11001 B12R1.28 C=CCNCc1cccc(n1)Cl 270004a_100020586998_100011361687 [0,2,0,0,0,0|2,0,0]=4 11002 B12R1.28 C=CCNCc1cccc(n1)F 2230a_100015188798_100000210623 [0,2,0,0,0,0|2,0,0]=4 11003 B12R1.28 C=CCNCc1cccc(n1)F 2230a_100020586998_100009819644 [0,2,0,0,0,0|2,0,0]=4 11004 B12R1.28 C=CCNCc1cccc(n1)F 270004a_100020586998_100000050434 [0,2,0,0,0,0|2,0,0]=4 11005 B12R1.28 C=CCNCc1cccc(n1)F 34a_100015188798_100015514636 [0,2,0,0,0,0|2,0,0]=4 11006 B12R1.28 C=CCNCc1ccnc(c1)Br 2230a_100020586998_100010243470 [0,2,0,0,0,0|2,0,0]=4 11007 B12R1.28 C=CCNCc1ccnc(c1)Br 2230a_100025757509_100000210623 [0,2,0,0,0,0|2,0,0]=4 11008 B12R1.28 C=CCNCc1ccnc(c1)Br 270004a_100020586998_100009814634 [0,2,0,0,0,0|2,0,0]=4 11009 B12R1.28 C=CCNCc1ccnc(c1)Br 34a_100025757509_100015514636 [0,2,0,0,0,0|2,0,0]=4 11010 B12R1.28 C=CCNCc1ccnc(c1)C 2230a_100020586998_200020672517 [0,2,0,0,0,0|2,0,0]=4 11011 B12R1.28 C=CCNCc1ccnc(c1)C 270004a_100020586998_100011361630 [0,2,0,0,0,0|2,0,0]=4 11012 B12R1.28 C=CCNCc1ccnc(c1)C 34a_100011934566_100015514636 [0,2,0,0,0,0|2,0,0]=4 11013 B12R1.28 C=CCNCc1ccnc(c1)Cl 2230a_100015205668_100000210623 [0,2,0,0,0,0|2,0,0]=4 11014 B12R1.28 C=CCNCc1ccnc(c1)Cl 2230a_100020586998_100000764220 [0,2,0,0,0,0|2,0,0]=4 11015 B12R1.28 C=CCNCc1ccnc(c1)Cl 270004a_100020586998_100011290808 [0,2,0,0,0,0|2,0,0]=4 11016 B12R1.28 C=CCNCc1ccnc(c1)Cl 34a_100015205668_100015514636 [0,2,0,0,0,0|2,0,0]=4 11017 B12R1.28 C=CCNCc1ccnc(c1)F 2230a_100015188774_100000210623 [0,2,0,0,0,0|2,0,0]=4 11018 B12R1.28 C=CCNCc1ccnc(c1)F 270004a_100020586998_100000068331 [0,2,0,0,0,0|2,0,0]=4 11019 B12R1.28 C=CCNCc1ccnc(c1)F 34a_100015188774_100015514636 [0,2,0,0,0,0|2,0,0]=4 11020 B12R1.28 C=CCNCc1cncc(c1)Br 2230a_100020586998_100000738771 [0,2,0,0,0,0|2,0,0]=4 11021 B12R1.28 C=CCNCc1cncc(c1)Br 270004a_100020586998_100000687066 [0,2,0,0,0,0|2,0,0]=4 11022 B12R1.28 C=CCNCc1cncc(c1)C 2230a_100000692839_100000210623 [0,2,0,0,0,0|2,0,0]=4 11023 B12R1.28 C=CCNCc1cncc(c1)C 2230a_100020586998_100000716715 [0,2,0,0,0,0|2,0,0]=4 11024 B12R1.28 C=CCNCc1cncc(c1)C 270004a_100020586998_100011998712 [0,2,0,0,0,0|2,0,0]=4 11025 B12R1.28 C=CCNCc1cncc(c1)C 34a_100000692839_100015514636 [0,2,0,0,0,0|2,0,0]=4 11026 B12R1.28 C=CCNCc1cncc(c1)Cl 2230a_100020586998_100016992070 [0,2,0,0,0,0|2,0,0]=4 11027 B12R1.28 C=CCNCc1cncc(c1)Cl 2230a_200020614424_100000210623 [0,2,0,0,0,0|2,0,0]=4 11028 B12R1.28 C=CCNCc1cncc(c1)Cl 270004a_100020586998_100000088910 [0,2,0,0,0,0|2,0,0]=4 11029 B12R1.28 C=CCNCc1cncc(c1)F 2230a_100011962886_100000210623 [0,2,0,0,0,0|2,0,0]=4 11030 B12R1.28 C=CCNCc1cncc(c1)F 2230a_100020586998_100000725299 [0,2,0,0,0,0|2,0,0]=4 11031 B12R1.28 C=CCNCc1cncc(c1)F 270004a_100020586998_100011361476 [0,2,0,0,0,0|2,0,0]=4 11032 B12R1.28 C=CCNCc1cncc(c1)F 34a_100011962886_100015514636 [0,2,0,0,0,0|2,0,0]=4 11033 B12R1.28 C=CCNCc1cncc(c1)O 270004a_100020586998_100012187055 [0,2,0,0,0,0|2,0,0]=4 11034 B12R1.28 C=CCOCc1cc(ccn1)Br 34a_200000210373_100010173614 [0,2,0,0,0,0|1,0,0]=3 11035 B12R1.28 C=CCOCc1cc(ccn1)C 34a_100011998357_100015514636 [0,2,0,0,0,0|1,0,0]=3 11036 B12R1.28 C=CCOCc1cc(ccn1)C 34a_200000210373_100000718516 [0,2,0,0,0,0|1,0,0]=3 11037 B12R1.28 C=CCOCc1cc(ccn1)Cl 34a_100000748867_100015514636 [0,2,0,0,0,0|1,0,0]=3 11038 B12R1.28 C=CCOCc1cc(ccn1)Cl 34a_200000210373_100016988179 [0,2,0,0,0,0|1,0,0]=3 11039 B12R1.28 C=CCOCc1cc(ccn1)N 34a_100000692640_100015514636 [0,2,0,0,0,0|1,0,0]=3 11040 B12R1.28 C=CCOCc1cc(cnn1)C 34a_100016212594_100015514636 [0,2,0,0,0,0|2,0,0]=4 11041 B12R1.28 C=CCOCc1ccc[n+](c1)[O-] 34a_100000037817_100015514636 [0,2,0,0,0,0|1,0,0]=3 11042 B12R1.28 C=CCOCc1ccc[n+](c1)[O-] 7a_100000037817_100015514636 [0,2,0,0,0,0|1,0,0]=3 11043 B12R1.28 C=CCOCc1cccc(c1)Br 34a_100000687537_100015514636 [0,2,0,0,0,0|0,0,0]=2 11044 B12R1.28 C=CCOCc1cccc(c1)Br 34a_200000210373_100000698116 [0,2,0,0,0,0|0,0,0]=2 11045 B12R1.28 C=CCOCc1cccc(c1)Br 7a_100000687537_100015514636 [0,2,0,0,0,0|0,0,0]=2 11046 B12R1.28 C=CCOCc1cccc(c1)C 34a_100011217746_100015514636 [0,2,0,0,0,0|0,0,0]=2 11047 B12R1.28 C=CCOCc1cccc(c1)C 34a_200000210373_100000211840 [0,2,0,0,0,0|0,0,0]=2 11048 B12R1.28 C=CCOCc1cccc(c1)C 7a_100011217746_100015514636 [0,2,0,0,0,0|0,0,0]=2 11049 B12R1.28 C=CCOCc1cccc(c1)Cl 34a_100000241301_100015514636 [0,2,0,0,0,0|0,0,0]=2 11050 B12R1.28 C=CCOCc1cccc(c1)Cl 34a_200000210373_100000187163 [0,2,0,0,0,0|0,0,0]=2 11051 B12R1.28 C=CCOCc1cccc(c1)Cl 7a_100000241301_100015514636 [0,2,0,0,0,0|0,0,0]=2 11052 B12R1.28 C=CCOCc1cccc(c1)F 34a_100000210976_100015514636 [0,2,0,0,0,0|0,0,0]=2 11053 B12R1.28 C=CCOCc1cccc(c1)F 34a_200000210373_100000187166 [0,2,0,0,0,0|0,0,0]=2 11054 B12R1.28 C=CCOCc1cccc(c1)F 7a_100000210976_100015514636 [0,2,0,0,0,0|0,0,0]=2 11055 B12R1.28 C=CCOCc1cccc(c1)I 34a_100011215336_100015514636 [0,2,0,0,0,0|0,0,0]=2 11056 B12R1.28 C=CCOCc1cccc(c1)I 34a_200000210373_100011218688 [0,2,0,0,0,0|0,0,0]=2 11057 B12R1.28 C=CCOCc1cccc(c1)I 7a_100011215336_100015514636 [0,2,0,0,0,0|0,0,0]=2 11058 B12R1.28 C=CCOCc1cccc(c1)N 34a_100000211919_100015514636 [0,2,0,0,0,0|0,0,0]=2 11059 B12R1.28 C=CCOCc1cccc(c1)O 34a_200000210373_100011660834 [0,2,0,0,0,0|0,0,0]=2 11060 B12R1.28 C=CCOCc1cccc(n1)Br 34a_100000694195_100015514636 [0,2,0,0,0,0|1,0,0]=3 11061 B12R1.28 C=CCOCc1cccc(n1)Br 34a_200000210373_100009889011 [0,2,0,0,0,0|1,0,0]=3 11062 B12R1.28 C=CCOCc1cccc(n1)C 34a_100000690600_100015514636 [0,2,0,0,0,0|1,0,0]=3 11063 B12R1.28 C=CCOCc1cccc(n1)C 34a_200000210373_100000757606 [0,2,0,0,0,0|1,0,0]=3 11064 B12R1.28 C=CCOCc1cccc(n1)Cl 34a_100011998359_100015514636 [0,2,0,0,0,0|1,0,0]=3 11065 B12R1.28 C=CCOCc1cccc(n1)Cl 34a_200000210373_100000086093 [0,2,0,0,0,0|1,0,0]=3 11066 B12R1.28 C=CCOCc1cccc(n1)F 34a_100000086748_100015514636 [0,2,0,0,0,0|1,0,0]=3 11067 B12R1.28 C=CCOCc1cccc(n1)F 34a_200000210373_100009819644 [0,2,0,0,0,0|1,0,0]=3 11068 B12R1.28 C=CCOCc1ccnc(c1)Br 34a_100009814636_100015514636 [0,2,0,0,0,0|1,0,0]=3 11069 B12R1.28 C=CCOCc1ccnc(c1)Br 34a_200000210373_100010243470 [0,2,0,0,0,0|1,0,0]=3 11070 B12R1.28 C=CCOCc1ccnc(c1)Br 7a_100009814636_100015514636 [0,2,0,0,0,0|1,0,0]=3 11071 B12R1.28 C=CCOCc1ccnc(c1)C 34a_100011998630_100015514636 [0,2,0,0,0,0|1,0,0]=3 11072 B12R1.28 C=CCOCc1ccnc(c1)C 34a_200000210373_200020672517 [0,2,0,0,0,0|1,0,0]=3 11073 B12R1.28 C=CCOCc1ccnc(c1)Cl 34a_100000748751_100015514636 [0,2,0,0,0,0|1,0,0]=3 11074 B12R1.28 C=CCOCc1ccnc(c1)Cl 34a_200000210373_100000764220 [0,2,0,0,0,0|1,0,0]=3 11075 B12R1.28 C=CCOCc1ccnc(c1)F 34a_100000082451_100015514636 [0,2,0,0,0,0|1,0,0]=3 11076 B12R1.28 C=CCOCc1ccnc(n1)Cl 34a_200000210373_100000099655 [0,2,0,0,0,0|2,0,0]=4 11077 B12R1.28 C=CCOCc1cncc(c1)Br 34a_100011259137_100015514636 [0,2,0,0,0,0|1,0,0]=3 11078 B12R1.28 C=CCOCc1cncc(c1)Br 34a_200000210373_100000738771 [0,2,0,0,0,0|1,0,0]=3 11079 B12R1.28 C=CCOCc1cncc(c1)Br 7a_100011259137_100015514636 [0,2,0,0,0,0|1,0,0]=3 11080 B12R1.28 C=CCOCc1cncc(c1)C 34a_100011998709_100015514636 [0,2,0,0,0,0|1,0,0]=3 11081 B12R1.28 C=CCOCc1cncc(c1)C 34a_200000210373_100000716715 [0,2,0,0,0,0|1,0,0]=3 11082 B12R1.28 C=CCOCc1cncc(c1)C 7a_100011998709_100015514636 [0,2,0,0,0,0|1,0,0]=3 11083 B12R1.28 C=CCOCc1cncc(c1)Cl 34a_100000092867_100015514636 [0,2,0,0,0,0|1,0,0]=3 11084 B12R1.28 C=CCOCc1cncc(c1)Cl 34a_200000210373_100016992070 [0,2,0,0,0,0|1,0,0]=3 11085 B12R1.28 C=CCOCc1cncc(c1)Cl 7a_100000092867_100015514636 [0,2,0,0,0,0|1,0,0]=3 11086 B12R1.28 C=CCOCc1cncc(c1)F 34a_100011962875_100015514636 [0,2,0,0,0,0|1,0,0]=3 11087 B12R1.28 C=CCOCc1cncc(c1)F 34a_200000210373_100000725299 [0,2,0,0,0,0|1,0,0]=3 11088 B12R1.28 C=CCOCc1cncc(c1)F 7a_100011962875_100015514636 [0,2,0,0,0,0|1,0,0]=3 11089 B12R1.28 C=CCOCc1cncc(c1)N 34a_100000085308_100015514636 [0,2,0,0,0,0|1,0,0]=3 11090 B12R1.28 C=CCSCc1cc(ccn1)Br 62a_100000210623_100010173614 [0,2,0,0,0,0|1,1,0]=4 11091 B12R1.28 C=CCSCc1cc(ccn1)Br 62a_100010173614_100000210623 [0,2,0,0,0,0|1,1,0]=4 11092 B12R1.28 C=CCSCc1cc(ccn1)C 62a_100000210623_100000718516 [0,2,0,0,0,0|1,1,0]=4 11093 B12R1.28 C=CCSCc1cc(ccn1)C 62a_100000718516_100000210623 [0,2,0,0,0,0|1,1,0]=4 11094 B12R1.28 C=CCSCc1cc(ccn1)Cl 62a_100000210623_100016988179 [0,2,0,0,0,0|1,1,0]=4 11095 B12R1.28 C=CCSCc1cc(ccn1)Cl 62a_100016988179_100000210623 [0,2,0,0,0,0|1,1,0]=4 11096 B12R1.28 C=CCSCc1cccc(c1)Br 62a_100000210623_100000211773 [0,2,0,0,0,0|0,1,0]=3 11097 B12R1.28 C=CCSCc1cccc(c1)Br 62a_100000211773_100000210623 [0,2,0,0,0,0|0,1,0]=3 11098 B12R1.28 C=CCSCc1cccc(c1)C 62a_100000210623_100000211840 [0,2,0,0,0,0|0,1,0]=3 11099 B12R1.28 C=CCSCc1cccc(c1)C 62a_100000211840_100000210623 [0,2,0,0,0,0|0,1,0]=3 11100 B12R1.28 C=CCSCc1cccc(c1)Cl 62a_100000187163_100000210623 [0,2,0,0,0,0|0,1,0]=3 11101 B12R1.28 C=CCSCc1cccc(c1)Cl 62a_100000210623_100000187163 [0,2,0,0,0,0|0,1,0]=3 11102 B12R1.28 C=CCSCc1cccc(c1)F 62a_100000210623_100000230114 [0,2,0,0,0,0|0,1,0]=3 11103 B12R1.28 C=CCSCc1cccc(c1)F 62a_100000230114_100000210623 [0,2,0,0,0,0|0,1,0]=3 11104 B12R1.28 C=CCSCc1cccc(c1)I 62a_100000210623_100011218688 [0,2,0,0,0,0|0,1,0]=3 11105 B12R1.28 C=CCSCc1cccc(c1)I 62a_100011218688_100000210623 [0,2,0,0,0,0|0,1,0]=3 11106 B12R1.28 C=CCSCc1cccc(c1)O 62a_100000210623_100011660834 [0,2,0,0,0,0|0,1,0]=3 11107 B12R1.28 C=CCSCc1cccc(c1)O 62a_100011660834_100000210623 [0,2,0,0,0,0|0,1,0]=3 11108 B12R1.28 C=CCSCc1cccc(n1)Br 62a_100000210623_100009889011 [0,2,0,0,0,0|1,1,0]=4 11109 B12R1.28 C=CCSCc1cccc(n1)Br 62a_100009889011_100000210623 [0,2,0,0,0,0|1,1,0]=4 11110 B12R1.28 C=CCSCc1cccc(n1)C 62a_100000210623_100000757606 [0,2,0,0,0,0|1,1,0]=4 11111 B12R1.28 C=CCSCc1cccc(n1)C 62a_100000757606_100000210623 [0,2,0,0,0,0|1,1,0]=4 11112 B12R1.28 C=CCSCc1cccc(n1)Cl 62a_100000086093_100000210623 [0,2,0,0,0,0|1,1,0]=4 11113 B12R1.28 C=CCSCc1cccc(n1)Cl 62a_100000210623_100000086093 [0,2,0,0,0,0|1,1,0]=4 11114 B12R1.28 C=CCSCc1cccc(n1)F 62a_100000210623_100009819644 [0,2,0,0,0,0|1,1,0]=4 11115 B12R1.28 C=CCSCc1cccc(n1)F 62a_100009819644_100000210623 [0,2,0,0,0,0|1,1,0]=4 11116 B12R1.28 C=CCSCc1ccnc(c1)Br 62a_100000210623_100010243470 [0,2,0,0,0,0|1,1,0]=4 11117 B12R1.28 C=CCSCc1ccnc(c1)Br 62a_100010254460_100000210623 [0,2,0,0,0,0|1,1,0]=4 11118 B12R1.28 C=CCSCc1ccnc(c1)C 62a_100000210623_200020672517 [0,2,0,0,0,0|1,1,0]=4 11119 B12R1.28 C=CCSCc1ccnc(c1)C 62a_200020672517_100000210623 [0,2,0,0,0,0|1,1,0]=4 11120 B12R1.28 C=CCSCc1ccnc(c1)Cl 62a_100000210623_100000764220 [0,2,0,0,0,0|1,1,0]=4 11121 B12R1.28 C=CCSCc1ccnc(c1)Cl 62a_100000764220_100000210623 [0,2,0,0,0,0|1,1,0]=4 11122 B12R1.28 C=CCSCc1cncc(c1)Br 62a_100000210623_100000738771 [0,2,0,0,0,0|1,1,0]=4 11123 B12R1.28 C=CCSCc1cncc(c1)Br 62a_100000738771_100000210623 [0,2,0,0,0,0|1,1,0]=4 11124 B12R1.28 C=CCSCc1cncc(c1)C 62a_100000210623_100000716715 [0,2,0,0,0,0|1,1,0]=4 11125 B12R1.28 C=CCSCc1cncc(c1)C 62a_100000716715_100000210623 [0,2,0,0,0,0|1,1,0]=4 11126 B12R1.28 C=CCSCc1cncc(c1)Cl 62a_100000210623_100016992070 [0,2,0,0,0,0|1,1,0]=4 11127 B12R1.28 C=CCSCc1cncc(c1)Cl 62a_100016992070_100000210623 [0,2,0,0,0,0|1,1,0]=4 11128 B12R1.28 C=CCSCc1cncc(c1)F 62a_100000210623_100000725299 [0,2,0,0,0,0|1,1,0]=4 11129 B12R1.28 C=CCSCc1cncc(c1)F 62a_100000725299_100000210623 [0,2,0,0,0,0|1,1,0]=4 11130 B12R1.28 CC#CCOc1cccc(c1)Br 34a_100000210342_100000748600 [0,2,0,0,0,0|0,0,2]=4 11131 B12R1.28 CC#CCOc1cccc(c1)Br 7a_100000210342_100000748600 [0,2,0,0,0,0|0,0,2]=4 11132 B12R1.28 CC#CCOc1cccc(c1)C 34a_100000210337_100000748600 [0,2,0,0,0,0|0,0,2]=4 11133 B12R1.28 CC#CCOc1cccc(c1)C 7a_100000210337_100000748600 [0,2,0,0,0,0|0,0,2]=4 11134 B12R1.28 CC#CCOc1cccc(c1)Cl 34a_100000210295_100000748600 [0,2,0,0,0,0|0,0,2]=4 11135 B12R1.28 CC#CCOc1cccc(c1)Cl 7a_100000210295_100000748600 [0,2,0,0,0,0|0,0,2]=4 11136 B12R1.28 CC#CCOc1cccc(c1)F 34a_100000210426_100000748600 [0,2,0,0,0,0|0,0,2]=4 11137 B12R1.28 CC#CCOc1cccc(c1)F 7a_100000210426_100000748600 [0,2,0,0,0,0|0,0,2]=4 11138 B12R1.28 CC#CCOc1cccc(c1)I 34a_100000211634_100000748600 [0,2,0,0,0,0|0,0,2]=4 11139 B12R1.28 CC#CCOc1cccc(c1)I 7a_100000211634_100000748600 [0,2,0,0,0,0|0,0,2]=4 11140 B12R1.28 CC#CCOc1cccc(c1)N 34a_100000210217_100000748600 [0,2,0,0,0,0|0,0,2]=4 11141 B12R1.28 CC=CCNc1cccc(c1)Br 34a_100000210019_100000070051 [0,2,0,0,0,0|1,0,0]=3 11142 B12R1.28 CC=CCNc1cccc(c1)C 2230a_100000188690_100000070051 [0,2,0,0,0,0|1,0,0]=3 11143 B12R1.28 CC=CCNc1cccc(c1)C 34a_100000188690_100000070051 [0,2,0,0,0,0|1,0,0]=3 11144 B12R1.28 CC=CCNc1cccc(c1)Cl 34a_100000185859_100000070051 [0,2,0,0,0,0|1,0,0]=3 11145 B12R1.28 CC=CCNc1cccc(c1)F 34a_100000210047_100000070051 [0,2,0,0,0,0|1,0,0]=3 11146 B12R1.28 CC=CCNc1cccc(c1)I 34a_100000211102_100000070051 [0,2,0,0,0,0|1,0,0]=3 11147 B12R1.28 CC=CCNc1cccc(c1)O 34a_100000210217_100000070051 [0,2,0,0,0,0|1,0,0]=3 11148 B12R1.28 CC=CCOc1cc(cnn1)C 34a_100000766097_100000070051 [0,2,0,0,0,0|2,0,0]=4 11149 B12R1.28 CC=CCOc1cc[nH]c(=O)c1 34a_100000032262_100000070051 [0,2,0,0,0,0|1,0,0]=3 11150 B12R1.28 CC=CCOc1ccc[n+](c1)[O-] 34a_100000039713_100000070051 [0,2,0,0,0,0|1,0,0]=3 11151 B12R1.28 CC=CCOc1ccc[n+](c1)[O-] 7a_100000039713_100000070051 [0,2,0,0,0,0|1,0,0]=3 11152 B12R1.28 CC=CCOc1cccc(=O)[nH]1 34a_100000033347_100000070051 [0,2,0,0,0,0|1,0,0]=3 11153 B12R1.28 CC=CCOc1cccc(c1)Br 34a_100000210342_100000070051 [0,2,0,0,0,0|0,0,0]=2 11154 B12R1.28 CC=CCOc1cccc(c1)Br 7a_100000210342_100000070051 [0,2,0,0,0,0|0,0,0]=2 11155 B12R1.28 CC=CCOc1cccc(c1)C 34a_100000210337_100000070051 [0,2,0,0,0,0|0,0,0]=2 11156 B12R1.28 CC=CCOc1cccc(c1)C 7a_100000210337_100000070051 [0,2,0,0,0,0|0,0,0]=2 11157 B12R1.28 CC=CCOc1cccc(c1)Cl 34a_100000210295_100000070051 [0,2,0,0,0,0|0,0,0]=2 11158 B12R1.28 CC=CCOc1cccc(c1)Cl 7a_100000210295_100000070051 [0,2,0,0,0,0|0,0,0]=2 11159 B12R1.28 CC=CCOc1cccc(c1)F 34a_100000210426_100000070051 [0,2,0,0,0,0|0,0,0]=2 11160 B12R1.28 CC=CCOc1cccc(c1)F 7a_100000210426_100000070051 [0,2,0,0,0,0|0,0,0]=2 11161 B12R1.28 CC=CCOc1cccc(c1)I 34a_100000211634_100000070051 [0,2,0,0,0,0|0,0,0]=2 11162 B12R1.28 CC=CCOc1cccc(c1)I 7a_100000211634_100000070051 [0,2,0,0,0,0|0,0,0]=2 11163 B12R1.28 CC=CCOc1cccc(c1)N 34a_100000210217_100000070051 [0,2,0,0,0,0|0,0,0]=2 11164 B12R1.28 CC=CCOc1cccc(n1)F 34a_100011432558_100000070051 [0,2,0,0,0,0|1,0,0]=3 11165 B12R1.28 CC=CCOc1ccnc(c1)C 34a_100000688365_100000070051 [0,2,0,0,0,0|1,0,0]=3 11166 B12R1.28 CC=CCOc1ccnc(c1)Cl 34a_100000762945_100000070051 [0,2,0,0,0,0|1,0,0]=3 11167 B12R1.28 CC=CCOc1ccnc(c1)F 34a_100000732698_100000070051 [0,2,0,0,0,0|1,0,0]=3 11168 B12R1.28 CC=CCOc1ccnc(c1)N 34a_100011834064_100000070051 [0,2,0,0,0,0|1,0,0]=3 11169 B12R1.28 CC=CCOc1cncc(c1)Br 34a_100000754920_100000070051 [0,2,0,0,0,0|1,0,0]=3 11170 B12R1.28 CC=CCOc1cncc(c1)Br 7a_100000754920_100000070051 [0,2,0,0,0,0|1,0,0]=3 11171 B12R1.28 CC=CCOc1cncc(c1)C 34a_100011830280_100000070051 [0,2,0,0,0,0|1,0,0]=3 11172 B12R1.28 CC=CCOc1cncc(c1)C 7a_100011830280_100000070051 [0,2,0,0,0,0|1,0,0]=3 11173 B12R1.28 CC=CCOc1cncc(c1)Cl 7a_100000032511_100000070051 [0,2,0,0,0,0|1,0,0]=3 11174 B12R1.28 CC=CCOc1cncc(c1)F 34a_100011830296_100000070051 [0,2,0,0,0,0|1,0,0]=3 11175 B12R1.28 CC=CCOc1cncc(c1)F 7a_100011830296_100000070051 [0,2,0,0,0,0|1,0,0]=3 11176 B12R1.28 CC=CCOc1cncc(c1)N 34a_100011997051_100000070051 [0,2,0,0,0,0|1,0,0]=3 11177 B12R1.28 CC=CCOc1cnnc(c1)Cl 34a_200010734679_100000070051 [0,2,0,0,0,0|2,0,0]=4 11178 B12R1.28 CC=CCOc1cnnc(c1)N 34a_200015193112_100000070051 [0,2,0,0,0,0|2,0,0]=4 11179 B12R1.28 CC=CCSc1cc(=O)cc[nH]1 62a_100009817434_100000070051 [0,2,0,0,0,0|1,1,0]=4 11180 B12R1.28 CC=CCSc1cc(ccn1)C 62a_100000070051_100000750283 [0,2,0,0,0,0|1,1,0]=4 11181 B12R1.28 CC=CCSc1cc(ccn1)C 62a_100000750283_100000070051 [0,2,0,0,0,0|1,1,0]=4 11182 B12R1.28 CC=CCSc1cc(ccn1)Cl 62a_100000070051_100010167805 [0,2,0,0,0,0|1,1,0]=4 11183 B12R1.28 CC=CCSc1cc(ccn1)Cl 62a_100010167805_100000070051 [0,2,0,0,0,0|1,1,0]=4 11184 B12R1.28 CC=CCSc1cc(ccn1)F 62a_100000070051_100000764206 [0,2,0,0,0,0|1,1,0]=4 11185 B12R1.28 CC=CCSc1cc(ccn1)F 62a_100000764206_100000070051 [0,2,0,0,0,0|1,1,0]=4 11186 B12R1.28 CC=CCSc1cc(ccn1)N 62a_100000070051_100009814236 [0,2,0,0,0,0|1,1,0]=4 11187 B12R1.28 CC=CCSc1cc(ccn1)N 62a_100009814236_100000070051 [0,2,0,0,0,0|1,1,0]=4 11188 B12R1.28 CC=CCSc1cc(ccn1)O 62a_100000070051_100000762945 [0,2,0,0,0,0|1,1,0]=4 11189 B12R1.28 CC=CCSc1cc[nH]c(=O)c1 62a_100000070051_100009816521 [0,2,0,0,0,0|1,1,0]=4 11190 B12R1.28 CC=CCSc1cc[nH]c(=O)c1 62a_100009816521_100000070051 [0,2,0,0,0,0|1,1,0]=4 11191 B12R1.28 CC=CCSc1ccc[n+](c1)C 62a_100000070051_100009996589 [0,2,0,0,0,0|1,1,0]=4 11192 B12R1.28 CC=CCSc1ccc[n+](c1)C 62a_100009996589_100000070051 [0,2,0,0,0,0|1,1,0]=4 11193 B12R1.28 CC=CCSc1ccc[n+](c1)[O-] 62a_100000070051_100009815978 [0,2,0,0,0,0|1,1,0]=4 11194 B12R1.28 CC=CCSc1cccc(=O)[nH]1 62a_100000070051_100000752884 [0,2,0,0,0,0|1,1,0]=4 11195 B12R1.28 CC=CCSc1cccc(c1)Br 62a_100000070051_100000691529 [0,2,0,0,0,0|0,1,0]=3 11196 B12R1.28 CC=CCSc1cccc(c1)Br 62a_100000691529_100000070051 [0,2,0,0,0,0|0,1,0]=3 11197 B12R1.28 CC=CCSc1cccc(c1)C 62a_100000070051_100011215228 [0,2,0,0,0,0|0,1,0]=3 11198 B12R1.28 CC=CCSc1cccc(c1)C 62a_100011215228_100000070051 [0,2,0,0,0,0|0,1,0]=3 11199 B12R1.28 CC=CCSc1cccc(c1)Cl 62a_100000070051_100000699651 [0,2,0,0,0,0|0,1,0]=3 11200 B12R1.28 CC=CCSc1cccc(c1)Cl 62a_100000699651_100000070051 [0,2,0,0,0,0|0,1,0]=3 11201 B12R1.28 CC=CCSc1cccc(c1)F 62a_100000070051_100000685547 [0,2,0,0,0,0|0,1,0]=3 11202 B12R1.28 CC=CCSc1cccc(c1)F 62a_100000685547_100000070051 [0,2,0,0,0,0|0,1,0]=3 11203 B12R1.28 CC=CCSc1cccc(c1)N 62a_100000070051_100000210019 [0,2,0,0,0,0|0,1,0]=3 11204 B12R1.28 CC=CCSc1cccc(c1)N 62a_100000210019_100000070051 [0,2,0,0,0,0|0,1,0]=3 11205 B12R1.28 CC=CCSc1cccc(c1)O 62a_100000070051_100000211634 [0,2,0,0,0,0|0,1,0]=3 11206 B12R1.28 CC=CCSc1cccc(c1)[S] 62a_100000070051_114929384022 [0,2,0,0,0,0|0,1,0]=3 11207 B12R1.28 CC=CCSc1cccc(c1)[S] 62a_114929384022_100000070051 [0,2,0,0,0,0|0,1,0]=3 11208 B12R1.28 CC=CCSc1cccc(n1)Br 62a_100000070051_100000684672 [0,2,0,0,0,0|1,1,0]=4 11209 B12R1.28 CC=CCSc1cccc(n1)Br 62a_100000684672_100000070051 [0,2,0,0,0,0|1,1,0]=4 11210 B12R1.28 CC=CCSc1cccc(n1)C 62a_100000070051_100000742759 [0,2,0,0,0,0|1,1,0]=4 11211 B12R1.28 CC=CCSc1cccc(n1)C 62a_100000742759_100000070051 [0,2,0,0,0,0|1,1,0]=4 11212 B12R1.28 CC=CCSc1cccc(n1)Cl 62a_100000051397_100000070051 [0,2,0,0,0,0|1,1,0]=4 11213 B12R1.28 CC=CCSc1cccc(n1)Cl 62a_100000070051_100000051397 [0,2,0,0,0,0|1,1,0]=4 11214 B12R1.28 CC=CCSc1cccc(n1)F 62a_100000070051_100009815982 [0,2,0,0,0,0|1,1,0]=4 11215 B12R1.28 CC=CCSc1cccc(n1)F 62a_100009815982_100000070051 [0,2,0,0,0,0|1,1,0]=4 11216 B12R1.28 CC=CCSc1cccc(n1)N 62a_100000070051_100000740741 [0,2,0,0,0,0|1,1,0]=4 11217 B12R1.28 CC=CCSc1cccc(n1)N 62a_100000740741_100000070051 [0,2,0,0,0,0|1,1,0]=4 11218 B12R1.28 CC=CCSc1ccnc(c1)Br 62a_100000070051_100009814637 [0,2,0,0,0,0|1,1,0]=4 11219 B12R1.28 CC=CCSc1ccnc(c1)Br 62a_100009814637_100000070051 [0,2,0,0,0,0|1,1,0]=4 11220 B12R1.28 CC=CCSc1ccnc(c1)C 62a_100000070051_100000758586 [0,2,0,0,0,0|1,1,0]=4 11221 B12R1.28 CC=CCSc1ccnc(c1)C 62a_100000758586_100000070051 [0,2,0,0,0,0|1,1,0]=4 11222 B12R1.28 CC=CCSc1ccnc(c1)Cl 62a_100000035001_100000070051 [0,2,0,0,0,0|1,1,0]=4 11223 B12R1.28 CC=CCSc1ccnc(c1)Cl 62a_100000070051_100000035001 [0,2,0,0,0,0|1,1,0]=4 11224 B12R1.28 CC=CCSc1ccnc(c1)F 62a_100000070051_100009816116 [0,2,0,0,0,0|1,1,0]=4 11225 B12R1.28 CC=CCSc1ccnc(c1)F 62a_100009816116_100000070051 [0,2,0,0,0,0|1,1,0]=4 11226 B12R1.28 CC=CCSc1ccnc(c1)N 62a_100000049665_100000070051 [0,2,0,0,0,0|1,1,0]=4 11227 B12R1.28 CC=CCSc1ccnc(c1)N 62a_100000070051_100000049665 [0,2,0,0,0,0|1,1,0]=4 11228 B12R1.28 CC=CCSc1cncc(c1)Br 62a_100000070051_100000728054 [0,2,0,0,0,0|1,1,0]=4 11229 B12R1.28 CC=CCSc1cncc(c1)Br 62a_100000728054_100000070051 [0,2,0,0,0,0|1,1,0]=4 11230 B12R1.28 CC=CCSc1cncc(c1)C 62a_100000070051_100000760492 [0,2,0,0,0,0|1,1,0]=4 11231 B12R1.28 CC=CCSc1cncc(c1)C 62a_100000760492_100000070051 [0,2,0,0,0,0|1,1,0]=4 11232 B12R1.28 CC=CCSc1cncc(c1)Cl 62a_100000049639_100000070051 [0,2,0,0,0,0|1,1,0]=4 11233 B12R1.28 CC=CCSc1cncc(c1)Cl 62a_100000070051_100000049639 [0,2,0,0,0,0|1,1,0]=4 11234 B12R1.28 CC=CCSc1cncc(c1)F 62a_100000070051_100000744099 [0,2,0,0,0,0|1,1,0]=4 11235 B12R1.28 CC=CCSc1cncc(c1)F 62a_100000744099_100000070051 [0,2,0,0,0,0|1,1,0]=4 11236 B12R1.28 CC=CCSc1cncc(c1)N 62a_100000070051_100000687067 [0,2,0,0,0,0|1,1,0]=4 11237 B12R1.28 CC=CCSc1cncc(c1)N 62a_100000687067_100000070051 [0,2,0,0,0,0|1,1,0]=4 11238 B12R1.28 CC=CCSc1cncc(c1)O 62a_100000070051_100000754920 [0,2,0,0,0,0|1,1,0]=4 11239 B12R1.28 CC=CCSc1cncc(c1)O 62a_100000754920_100000070051 [0,2,0,0,0,0|1,1,0]=4 11240 B12R1.28 CCCCOc1cccc(c1)Br 34a_100000210342_100000210210 [0,2,0,0,0,0|0,0,2]=4 11241 B12R1.28 CCCCOc1cccc(c1)Br 7a_100000210342_100000210211 [0,2,0,0,0,0|0,0,2]=4 11242 B12R1.28 CCCCOc1cccc(c1)C 34a_100000210337_100000210210 [0,2,0,0,0,0|0,0,2]=4 11243 B12R1.28 CCCCOc1cccc(c1)C 7a_100000210337_100000210211 [0,2,0,0,0,0|0,0,2]=4 11244 B12R1.28 CCCCOc1cccc(c1)Cl 34a_100000210295_100000210210 [0,2,0,0,0,0|0,0,2]=4 11245 B12R1.28 CCCCOc1cccc(c1)Cl 7a_100000210295_100000210211 [0,2,0,0,0,0|0,0,2]=4 11246 B12R1.28 CCCCOc1cccc(c1)F 34a_100000210426_100000210210 [0,2,0,0,0,0|0,0,2]=4 11247 B12R1.28 CCCCOc1cccc(c1)F 7a_100000210426_100000210211 [0,2,0,0,0,0|0,0,2]=4 11248 B12R1.28 CCCCOc1cccc(c1)I 34a_100000211634_100000210210 [0,2,0,0,0,0|0,0,2]=4 11249 B12R1.28 CCCCOc1cccc(c1)I 7a_100000211634_100000210211 [0,2,0,0,0,0|0,0,2]=4 11250 B12R1.28 CCCCOc1cccc(c1)N 34a_100000210217_100000210210 [0,2,0,0,0,0|0,0,2]=4 11251 B12R1.28 CCCCOc1cccc(c1)O 271570a_203496583355_200011212284 [0,2,0,0,0,0|0,0,2]=4 11252 B12R1.28 CCCOCc1cccc(c1)Br 34a_100000210258_100000698116 [0,2,0,0,0,0|0,0,2]=4 11253 B12R1.28 CCCOCc1cccc(c1)Br 34a_100000687537_100000210303 [0,2,0,0,0,0|0,0,2]=4 11254 B12R1.28 CCCOCc1cccc(c1)Br 7a_100000687537_100000210303 [0,2,0,0,0,0|0,0,2]=4 11255 B12R1.28 CCCOCc1cccc(c1)C 34a_100000210258_100000211840 [0,2,0,0,0,0|0,0,2]=4 11256 B12R1.28 CCCOCc1cccc(c1)C 34a_100011217746_100000210303 [0,2,0,0,0,0|0,0,2]=4 11257 B12R1.28 CCCOCc1cccc(c1)C 7a_100011217746_100000210303 [0,2,0,0,0,0|0,0,2]=4 11258 B12R1.28 CCCOCc1cccc(c1)Cl 34a_100000210258_100000187163 [0,2,0,0,0,0|0,0,2]=4 11259 B12R1.28 CCCOCc1cccc(c1)Cl 34a_100000241301_100000210303 [0,2,0,0,0,0|0,0,2]=4 11260 B12R1.28 CCCOCc1cccc(c1)Cl 7a_100000241301_100000210303 [0,2,0,0,0,0|0,0,2]=4 11261 B12R1.28 CCCOCc1cccc(c1)F 34a_100000210258_100000187166 [0,2,0,0,0,0|0,0,2]=4 11262 B12R1.28 CCCOCc1cccc(c1)F 34a_100000210976_100000210303 [0,2,0,0,0,0|0,0,2]=4 11263 B12R1.28 CCCOCc1cccc(c1)F 7a_100000210976_100000210303 [0,2,0,0,0,0|0,0,2]=4 11264 B12R1.28 CCCOCc1cccc(c1)I 34a_100000210258_100011218688 [0,2,0,0,0,0|0,0,2]=4 11265 B12R1.28 CCCOCc1cccc(c1)I 34a_100011215336_100000210303 [0,2,0,0,0,0|0,0,2]=4 11266 B12R1.28 CCCOCc1cccc(c1)I 7a_100011215336_100000210303 [0,2,0,0,0,0|0,0,2]=4 11267 B12R1.28 CCCOCc1cccc(c1)N 34a_100000211919_100000210303 [0,2,0,0,0,0|0,0,2]=4 11268 B12R1.28 CCCOCc1cccc(c1)O 34a_100000210258_100011660834 [0,2,0,0,0,0|0,0,2]=4 11269 B12R1.28 CNCCOc1cccc(c1)Br 2230a_100000743521_200000210301 [0,2,0,0,0,0|0,0,2]=4 11270 B12R1.28 CNCCOc1cccc(c1)Br 2230a_106832991635_100000183150 [0,2,0,0,0,0|0,0,2]=4 11271 B12R1.28 CNCCOc1cccc(c1)Br 34a_100000743521_200000210301 [0,2,0,0,0,0|0,0,2]=4 11272 B12R1.28 CNCCOc1cccc(c1)Br 34a_100102657272_100000183150 [0,2,0,0,0,0|0,0,2]=4 11273 B12R1.28 CNCCOc1cccc(c1)Br 7a_106832991635_100000183150 [0,2,0,0,0,0|0,0,2]=4 11274 B12R1.28 CNCCOc1cccc(c1)C 2230a_100015185188_200000210301 [0,2,0,0,0,0|0,0,2]=4 11275 B12R1.28 CNCCOc1cccc(c1)C 34a_100015185188_200000210301 [0,2,0,0,0,0|0,0,2]=4 11276 B12R1.28 CNCCOc1cccc(c1)Cl 2230a_100000740232_200000210301 [0,2,0,0,0,0|0,0,2]=4 11277 B12R1.28 CNCCOc1cccc(c1)Cl 2230a_106832991635_100000181161 [0,2,0,0,0,0|0,0,2]=4 11278 B12R1.28 CNCCOc1cccc(c1)Cl 34a_100000740232_200000210301 [0,2,0,0,0,0|0,0,2]=4 11279 B12R1.28 CNCCOc1cccc(c1)Cl 34a_100102657272_100000181161 [0,2,0,0,0,0|0,0,2]=4 11280 B12R1.28 CNCCOc1cccc(c1)Cl 7a_106832991635_100000181161 [0,2,0,0,0,0|0,0,2]=4 11281 B12R1.28 CNCCOc1cccc(c1)F 2230a_100000738948_200000210301 [0,2,0,0,0,0|0,0,2]=4 11282 B12R1.28 CNCCOc1cccc(c1)F 2230a_106832991635_100000739188 [0,2,0,0,0,0|0,0,2]=4 11283 B12R1.28 CNCCOc1cccc(c1)F 34a_100000738948_200000210301 [0,2,0,0,0,0|0,0,2]=4 11284 B12R1.28 CNCCOc1cccc(c1)F 34a_100102657272_100000739188 [0,2,0,0,0,0|0,0,2]=4 11285 B12R1.28 CNCCOc1cccc(c1)F 7a_106832991635_100000739188 [0,2,0,0,0,0|0,0,2]=4 11286 B12R1.28 CNCCOc1cccc(c1)O 271570a_203496583355_200000225663 [0,2,0,0,0,0|0,0,2]=4 11287 B12R1.28 COCCOc1cccc(c1)Br 34a_100000210342_100011201679 [0,2,0,0,0,0|0,0,2]=4 11288 B12R1.28 COCCOc1cccc(c1)Br 34a_100000757546_200000210301 [0,2,0,0,0,0|0,0,2]=4 11289 B12R1.28 COCCOc1cccc(c1)Br 34a_100138415774_100000183150 [0,2,0,0,0,0|0,0,2]=4 11290 B12R1.28 COCCOc1cccc(c1)Br 7a_100000210342_100000233755 [0,2,0,0,0,0|0,0,2]=4 11291 B12R1.28 COCCOc1cccc(c1)Br 7a_100000757546_200000210301 [0,2,0,0,0,0|0,0,2]=4 11292 B12R1.28 COCCOc1cccc(c1)C 34a_100000210337_100011201679 [0,2,0,0,0,0|0,0,2]=4 11293 B12R1.28 COCCOc1cccc(c1)C 34a_200011215094_200000210301 [0,2,0,0,0,0|0,0,2]=4 11294 B12R1.28 COCCOc1cccc(c1)C 7a_100000210337_100000233755 [0,2,0,0,0,0|0,0,2]=4 11295 B12R1.28 COCCOc1cccc(c1)C 7a_200011215094_200000210301 [0,2,0,0,0,0|0,0,2]=4 11296 B12R1.28 COCCOc1cccc(c1)Cl 34a_100000210295_100011201679 [0,2,0,0,0,0|0,0,2]=4 11297 B12R1.28 COCCOc1cccc(c1)Cl 34a_100000230539_200000210301 [0,2,0,0,0,0|0,0,2]=4 11298 B12R1.28 COCCOc1cccc(c1)Cl 34a_100138415774_100000181161 [0,2,0,0,0,0|0,0,2]=4 11299 B12R1.28 COCCOc1cccc(c1)Cl 7a_100000210295_100000233755 [0,2,0,0,0,0|0,0,2]=4 11300 B12R1.28 COCCOc1cccc(c1)Cl 7a_100000230539_200000210301 [0,2,0,0,0,0|0,0,2]=4 11301 B12R1.28 COCCOc1cccc(c1)F 34a_100000210426_100011201679 [0,2,0,0,0,0|0,0,2]=4 11302 B12R1.28 COCCOc1cccc(c1)F 34a_100138415774_100000739188 [0,2,0,0,0,0|0,0,2]=4 11303 B12R1.28 COCCOc1cccc(c1)F 7a_100000210426_100000233755 [0,2,0,0,0,0|0,0,2]=4 11304 B12R1.28 COCCOc1cccc(c1)I 34a_100000211634_100011201679 [0,2,0,0,0,0|0,0,2]=4 11305 B12R1.28 COCCOc1cccc(c1)I 7a_100000211634_100000233755 [0,2,0,0,0,0|0,0,2]=4 11306 B12R1.28 COCCOc1cccc(c1)N 34a_100000210217_100011201679 [0,2,0,0,0,0|0,0,2]=4 11307 B12R1.28 COCCOc1cccc(c1)N 34a_100011232151_200000210301 [0,2,0,0,0,0|0,0,2]=4 11308 B12R1.28 COCCOc1cccc(c1)O 271570a_203496583355_100000742273 [0,2,0,0,0,0|0,0,2]=4 11309 B12R1.28 CSCCOc1cccc(c1)Br 34a_100000210342_100000212216 [0,2,0,0,0,0|0,0,2]=4 11310 B12R1.28 CSCCOc1cccc(c1)Br 62a_100000183150_200000210301 [0,2,0,0,0,0|0,0,2]=4 11311 B12R1.28 CSCCOc1cccc(c1)Br 62a_200000210301_100000183150 [0,2,0,0,0,0|0,0,2]=4 11312 B12R1.28 CSCCOc1cccc(c1)Br 7a_100000210342_100000212216 [0,2,0,0,0,0|0,0,2]=4 11313 B12R1.28 CSCCOc1cccc(c1)C 34a_100000210337_100000212216 [0,2,0,0,0,0|0,0,2]=4 11314 B12R1.28 CSCCOc1cccc(c1)C 7a_100000210337_100000212216 [0,2,0,0,0,0|0,0,2]=4 11315 B12R1.28 CSCCOc1cccc(c1)Cl 34a_100000210295_100000212216 [0,2,0,0,0,0|0,0,2]=4 11316 B12R1.28 CSCCOc1cccc(c1)Cl 62a_100000181161_200000210301 [0,2,0,0,0,0|0,0,2]=4 11317 B12R1.28 CSCCOc1cccc(c1)Cl 62a_200000210301_100000181161 [0,2,0,0,0,0|0,0,2]=4 11318 B12R1.28 CSCCOc1cccc(c1)Cl 7a_100000210295_100000212216 [0,2,0,0,0,0|0,0,2]=4 11319 B12R1.28 CSCCOc1cccc(c1)F 34a_100000210426_100000212216 [0,2,0,0,0,0|0,0,2]=4 11320 B12R1.28 CSCCOc1cccc(c1)F 62a_100000739188_200000210301 [0,2,0,0,0,0|0,0,2]=4 11321 B12R1.28 CSCCOc1cccc(c1)F 62a_200000210301_100000739188 [0,2,0,0,0,0|0,0,2]=4 11322 B12R1.28 CSCCOc1cccc(c1)F 7a_100000210426_100000212216 [0,2,0,0,0,0|0,0,2]=4 11323 B12R1.28 CSCCOc1cccc(c1)I 34a_100000211634_100000212216 [0,2,0,0,0,0|0,0,2]=4 11324 B12R1.28 CSCCOc1cccc(c1)I 7a_100000211634_100000212216 [0,2,0,0,0,0|0,0,2]=4 11325 B12R1.28 CSCCOc1cccc(c1)N 34a_100000210217_100000212216 [0,2,0,0,0,0|0,0,2]=4 11326 B12R1.28 CSCOCc1cccc(c1)Br 34a_100000687537_100011218213 [0,2,0,0,0,0|1,0,1]=4 11327 B12R1.28 CSCOCc1cccc(c1)C 34a_100011217746_100011218213 [0,2,0,0,0,0|1,0,1]=4 11328 B12R1.28 CSCOCc1cccc(c1)Cl 34a_100000241301_100011218213 [0,2,0,0,0,0|1,0,1]=4 11329 B12R1.28 CSCOCc1cccc(c1)F 34a_100000210976_100011218213 [0,2,0,0,0,0|1,0,1]=4 11330 B12R1.28 CSCOCc1cccc(c1)I 34a_100011215336_100011218213 [0,2,0,0,0,0|1,0,1]=4 11331 B12R1.28 CSCOCc1cccc(c1)N 34a_100000211919_100011218213 [0,2,0,0,0,0|1,0,1]=4 11332 B12R1.28 Cc1cc(ccn1)COCC=O 34a_100011998630_200009817547 [0,2,0,0,0,0|2,0,0]=4 11333 B12R1.28 Cc1cccc(c1)CNCC=O 2230a_100000185548_200015260668 [0,2,0,0,0,0|2,0,0]=4 11334 B12R1.28 Cc1cccc(c1)CNCC=O 34a_100000185548_200009817547 [0,2,0,0,0,0|2,0,0]=4 11335 B12R1.28 Cc1cccc(c1)COCC#N 7a_100011217746_100011215382 [0,2,0,0,0,0|1,0,1]=4 11336 B12R1.28 Cc1cccc(c1)COCC=O 34a_100011217746_200009817547 [0,2,0,0,0,0|1,0,0]=3 11337 B12R1.28 Cc1cccc(c1)COCC=O 7a_100011217746_200015260668 [0,2,0,0,0,0|1,0,0]=3 11338 B12R1.28 Cc1cccc(c1)COCCBr 34a_100000211926_100000211840 [0,2,0,0,0,0|1,0,1]=4 11339 B12R1.28 Cc1cccc(c1)COCCF 34a_100011217746_100011217306 [0,2,0,0,0,0|1,0,1]=4 11340 B12R1.28 Cc1cccc(c1)COCCF 7a_100011217746_100011217306 [0,2,0,0,0,0|1,0,1]=4 11341 B12R1.28 Cc1cccc(c1)COCCN 34a_100000210304_100000211840 [0,2,0,0,0,0|1,0,1]=4 11342 B12R1.28 Cc1cccc(c1)COCCO 34a_100011217746_100000211926 [0,2,0,0,0,0|1,0,1]=4 11343 B12R1.28 Cc1cccc(c1)COCCO 7a_100011217746_100000211926 [0,2,0,0,0,0|1,0,1]=4 11344 B12R1.28 Cc1cccc(c1)CSCC=O 62a_100000211840_200015260668 [0,2,0,0,0,0|1,1,0]=4 11345 B12R1.28 Cc1cccc(c1)CSCC=O 62a_200015260668_100000211840 [0,2,0,0,0,0|1,1,0]=4 11346 B12R1.28 Cc1cccc(c1)OCCC#N 7a_100000210337_100000184422 [0,2,0,0,0,0|0,0,2]=4 11347 B12R1.28 Cc1cccc(c1)OCCCF 34a_100000210337_100011934791 [0,2,0,0,0,0|0,0,2]=4 11348 B12R1.28 Cc1cccc(c1)OCCCF 7a_100000210337_100011934791 [0,2,0,0,0,0|0,0,2]=4 11349 B12R1.28 Cc1cccc(c1)OCCCO 34a_100000210337_100000230001 [0,2,0,0,0,0|0,0,2]=4 11350 B12R1.28 Cc1cccc(c1)OCCCO 7a_100000210337_100011215043 [0,2,0,0,0,0|0,0,2]=4 11351 B12R1.28 Cc1cccc(c1)OCCN[13CH3] 2230a_100015185188_200025704644 [0,2,0,0,0,0|0,0,2]=4 11352 B12R1.28 Cc1cccc(c1)OCCN[13CH3] 34a_100015185188_200025704644 [0,2,0,0,0,0|0,0,2]=4 11353 B12R1.28 Cc1cccc(c1)OCCO[13CH3] 34a_200011215094_200025704644 [0,2,0,0,0,0|0,0,2]=4 11354 B12R1.28 Cc1cccc(c1)OCCO[13CH3] 7a_200011215094_200025704644 [0,2,0,0,0,0|0,0,2]=4 11355 B12R1.28 Cc1cccc(n1)COCC=O 34a_100000690600_200009817547 [0,2,0,0,0,0|2,0,0]=4 11356 B12R1.28 Cc1ccnc(c1)COCC=O 34a_100011998357_200009817547 [0,2,0,0,0,0|2,0,0]=4 11357 B12R1.28 Cc1cncc(c1)COCC=O 34a_100011998709_200009817547 [0,2,0,0,0,0|2,0,0]=4 11358 B12R1.28 Cc1cncc(c1)COCC=O 7a_100011998709_200015260668 [0,2,0,0,0,0|2,0,0]=4 11359 B12R1.28 Clc1cccc(c1)COCCBr 34a_100000211926_100000187163 [0,2,0,0,0,0|1,0,1]=4 11360 B12R1.28 FCCCOc1cccc(c1)Br 34a_100000210342_100011934791 [0,2,0,0,0,0|0,0,2]=4 11361 B12R1.28 FCCCOc1cccc(c1)Br 7a_100000210342_100011934791 [0,2,0,0,0,0|0,0,2]=4 11362 B12R1.28 FCCCOc1cccc(c1)Cl 34a_100000210295_100011934791 [0,2,0,0,0,0|0,0,2]=4 11363 B12R1.28 FCCCOc1cccc(c1)Cl 7a_100000210295_100011934791 [0,2,0,0,0,0|0,0,2]=4 11364 B12R1.28 FCCCOc1cccc(c1)F 34a_100000210426_100011934791 [0,2,0,0,0,0|0,0,2]=4 11365 B12R1.28 FCCCOc1cccc(c1)F 7a_100000210426_100011934791 [0,2,0,0,0,0|0,0,2]=4 11366 B12R1.28 FCCCOc1cccc(c1)I 34a_100000211634_100011934791 [0,2,0,0,0,0|0,0,2]=4 11367 B12R1.28 FCCCOc1cccc(c1)I 7a_100000211634_100011934791 [0,2,0,0,0,0|0,0,2]=4 11368 B12R1.28 FCCOCc1cccc(c1)Br 34a_100000687537_100011217306 [0,2,0,0,0,0|1,0,1]=4 11369 B12R1.28 FCCOCc1cccc(c1)Br 7a_100000687537_100011217306 [0,2,0,0,0,0|1,0,1]=4 11370 B12R1.28 FCCOCc1cccc(c1)Cl 34a_100000241301_100011217306 [0,2,0,0,0,0|1,0,1]=4 11371 B12R1.28 FCCOCc1cccc(c1)Cl 7a_100000241301_100011217306 [0,2,0,0,0,0|1,0,1]=4 11372 B12R1.28 FCCOCc1cccc(c1)F 34a_100000210976_100011217306 [0,2,0,0,0,0|1,0,1]=4 11373 B12R1.28 FCCOCc1cccc(c1)F 7a_100000210976_100011217306 [0,2,0,0,0,0|1,0,1]=4 11374 B12R1.28 FCCOCc1cccc(c1)I 34a_100011215336_100011217306 [0,2,0,0,0,0|1,0,1]=4 11375 B12R1.28 FCCOCc1cccc(c1)I 7a_100011215336_100011217306 [0,2,0,0,0,0|1,0,1]=4 11376 B12R1.28 Fc1cccc(c1)COCCBr 34a_100000211926_100000187166 [0,2,0,0,0,0|1,0,1]=4 11377 B12R1.28 N#CCCOc1cccc(c1)Br 7a_100000210342_100000184422 [0,2,0,0,0,0|0,0,2]=4 11378 B12R1.28 N#CCCOc1cccc(c1)Cl 7a_100000210295_100000184422 [0,2,0,0,0,0|0,0,2]=4 11379 B12R1.28 N#CCCOc1cccc(c1)F 7a_100000210426_100000184422 [0,2,0,0,0,0|0,0,2]=4 11380 B12R1.28 N#CCCOc1cccc(c1)I 7a_100000211634_100000184422 [0,2,0,0,0,0|0,0,2]=4 11381 B12R1.28 N#CCOCc1cccc(c1)Br 7a_100000687537_100011215382 [0,2,0,0,0,0|1,0,1]=4 11382 B12R1.28 N#CCOCc1cccc(c1)Cl 7a_100000241301_100011215382 [0,2,0,0,0,0|1,0,1]=4 11383 B12R1.28 N#CCOCc1cccc(c1)F 7a_100000210976_100011215382 [0,2,0,0,0,0|1,0,1]=4 11384 B12R1.28 N#CCOCc1cccc(c1)I 7a_100011215336_100011215382 [0,2,0,0,0,0|1,0,1]=4 11385 B12R1.28 NCCOCc1cccc(c1)Br 34a_100000210304_100000698116 [0,2,0,0,0,0|1,0,1]=4 11386 B12R1.28 NCCOCc1cccc(c1)Cl 34a_100000210304_100000187163 [0,2,0,0,0,0|1,0,1]=4 11387 B12R1.28 NCCOCc1cccc(c1)F 34a_100000210304_100000187166 [0,2,0,0,0,0|1,0,1]=4 11388 B12R1.28 NCCOCc1cccc(c1)I 34a_100000210304_100011218688 [0,2,0,0,0,0|1,0,1]=4 11389 B12R1.28 NCCOCc1cccc(c1)O 34a_100000210304_100011660834 [0,2,0,0,0,0|1,0,1]=4 11390 B12R1.28 Nc1cccc(c1)COCC=O 34a_100000211919_200009817547 [0,2,0,0,0,0|1,0,0]=3 11391 B12R1.28 Nc1cccc(c1)COCCF 34a_100000211919_100011217306 [0,2,0,0,0,0|1,0,1]=4 11392 B12R1.28 Nc1cccc(c1)COCCO 34a_100000211919_100000211926 [0,2,0,0,0,0|1,0,1]=4 11393 B12R1.28 Nc1cccc(c1)OCCCF 34a_100000210217_100011934791 [0,2,0,0,0,0|0,0,2]=4 11394 B12R1.28 Nc1cccc(c1)OCCCO 34a_100000210217_100000230001 [0,2,0,0,0,0|0,0,2]=4 11395 B12R1.28 Nc1ccnc(c1)COCC=O 34a_100000692640_200009817547 [0,2,0,0,0,0|2,0,0]=4 11396 B12R1.28 Nc1cncc(c1)COCC=O 34a_100000085308_200009817547 [0,2,0,0,0,0|2,0,0]=4 11397 B12R1.28 O=CCNCc1cccc(c1)Br 2230a_100000174977_200015260668 [0,2,0,0,0,0|2,0,0]=4 11398 B12R1.28 O=CCNCc1cccc(c1)Br 34a_100000174977_200009817547 [0,2,0,0,0,0|2,0,0]=4 11399 B12R1.28 O=CCNCc1cccc(c1)Cl 2230a_100000174878_200015260668 [0,2,0,0,0,0|2,0,0]=4 11400 B12R1.28 O=CCNCc1cccc(c1)Cl 34a_100000174878_200009817547 [0,2,0,0,0,0|2,0,0]=4 11401 B12R1.28 O=CCNCc1cccc(c1)F 2230a_100000174948_200015260668 [0,2,0,0,0,0|2,0,0]=4 11402 B12R1.28 O=CCNCc1cccc(c1)F 34a_100000174948_200009817547 [0,2,0,0,0,0|2,0,0]=4 11403 B12R1.28 O=CCNCc1cccc(c1)I 2230a_100000106179_200015260668 [0,2,0,0,0,0|2,0,0]=4 11404 B12R1.28 O=CCNCc1cccc(c1)I 34a_100000106179_200009817547 [0,2,0,0,0,0|2,0,0]=4 11405 B12R1.28 O=CCNCc1cccc(c1)O 2230a_100000743036_200015260668 [0,2,0,0,0,0|2,0,0]=4 11406 B12R1.28 O=CCNCc1cccc(c1)O 34a_100000743036_200009817547 [0,2,0,0,0,0|2,0,0]=4 11407 B12R1.28 O=CCOCc1cc(ccn1)Cl 34a_100000748867_200009817547 [0,2,0,0,0,0|2,0,0]=4 11408 B12R1.28 O=CCOCc1ccc[n+](c1)[O-] 34a_100000037817_200009817547 [0,2,0,0,0,0|2,0,0]=4 11409 B12R1.28 O=CCOCc1ccc[n+](c1)[O-] 7a_100000037817_200015260668 [0,2,0,0,0,0|2,0,0]=4 11410 B12R1.28 O=CCOCc1cccc(c1)Br 34a_100000687537_200009817547 [0,2,0,0,0,0|1,0,0]=3 11411 B12R1.28 O=CCOCc1cccc(c1)Br 7a_100000687537_200015260668 [0,2,0,0,0,0|1,0,0]=3 11412 B12R1.28 O=CCOCc1cccc(c1)Cl 34a_100000241301_200009817547 [0,2,0,0,0,0|1,0,0]=3 11413 B12R1.28 O=CCOCc1cccc(c1)Cl 7a_100000241301_200015260668 [0,2,0,0,0,0|1,0,0]=3 11414 B12R1.28 O=CCOCc1cccc(c1)F 34a_100000210976_200009817547 [0,2,0,0,0,0|1,0,0]=3 11415 B12R1.28 O=CCOCc1cccc(c1)F 7a_100000210976_200015260668 [0,2,0,0,0,0|1,0,0]=3 11416 B12R1.28 O=CCOCc1cccc(c1)I 34a_100011215336_200009817547 [0,2,0,0,0,0|1,0,0]=3 11417 B12R1.28 O=CCOCc1cccc(c1)I 7a_100011215336_200015260668 [0,2,0,0,0,0|1,0,0]=3 11418 B12R1.28 O=CCOCc1cccc(n1)Br 34a_100000694195_200009817547 [0,2,0,0,0,0|2,0,0]=4 11419 B12R1.28 O=CCOCc1cccc(n1)Cl 34a_100011998359_200009817547 [0,2,0,0,0,0|2,0,0]=4 11420 B12R1.28 O=CCOCc1cccc(n1)F 34a_100000086748_200009817547 [0,2,0,0,0,0|2,0,0]=4 11421 B12R1.28 O=CCOCc1ccnc(c1)Br 34a_100009814636_200009817547 [0,2,0,0,0,0|2,0,0]=4 11422 B12R1.28 O=CCOCc1ccnc(c1)Br 7a_100009814636_200015260668 [0,2,0,0,0,0|2,0,0]=4 11423 B12R1.28 O=CCOCc1ccnc(c1)Cl 34a_100000748751_200009817547 [0,2,0,0,0,0|2,0,0]=4 11424 B12R1.28 O=CCOCc1ccnc(c1)F 34a_100000082451_200009817547 [0,2,0,0,0,0|2,0,0]=4 11425 B12R1.28 O=CCOCc1cncc(c1)Br 34a_100011259137_200009817547 [0,2,0,0,0,0|2,0,0]=4 11426 B12R1.28 O=CCOCc1cncc(c1)Br 7a_100011259137_200015260668 [0,2,0,0,0,0|2,0,0]=4 11427 B12R1.28 O=CCOCc1cncc(c1)Cl 34a_100000092867_200009817547 [0,2,0,0,0,0|2,0,0]=4 11428 B12R1.28 O=CCOCc1cncc(c1)Cl 7a_100000092867_200015260668 [0,2,0,0,0,0|2,0,0]=4 11429 B12R1.28 O=CCOCc1cncc(c1)F 34a_100011962875_200009817547 [0,2,0,0,0,0|2,0,0]=4 11430 B12R1.28 O=CCOCc1cncc(c1)F 7a_100011962875_200015260668 [0,2,0,0,0,0|2,0,0]=4 11431 B12R1.28 O=CCSCc1cccc(c1)Br 62a_100000211773_200015260668 [0,2,0,0,0,0|1,1,0]=4 11432 B12R1.28 O=CCSCc1cccc(c1)Br 62a_200015260668_100000211773 [0,2,0,0,0,0|1,1,0]=4 11433 B12R1.28 O=CCSCc1cccc(c1)Cl 62a_100000187163_200015260668 [0,2,0,0,0,0|1,1,0]=4 11434 B12R1.28 O=CCSCc1cccc(c1)Cl 62a_200015260668_100000187163 [0,2,0,0,0,0|1,1,0]=4 11435 B12R1.28 O=CCSCc1cccc(c1)F 62a_100000230114_200015260668 [0,2,0,0,0,0|1,1,0]=4 11436 B12R1.28 O=CCSCc1cccc(c1)F 62a_200015260668_100000230114 [0,2,0,0,0,0|1,1,0]=4 11437 B12R1.28 O=CCSCc1cccc(c1)I 62a_100011218688_200015260668 [0,2,0,0,0,0|1,1,0]=4 11438 B12R1.28 O=CCSCc1cccc(c1)I 62a_200015260668_100011218688 [0,2,0,0,0,0|1,1,0]=4 11439 B12R1.28 O=CCSCc1cccc(c1)O 62a_100011660834_200015260668 [0,2,0,0,0,0|1,1,0]=4 11440 B12R1.28 O=CCSCc1cccc(c1)O 62a_200015260668_100011660834 [0,2,0,0,0,0|1,1,0]=4 11441 B12R1.28 OCCCOc1cccc(c1)Br 34a_100000210342_100000230001 [0,2,0,0,0,0|0,0,2]=4 11442 B12R1.28 OCCCOc1cccc(c1)Br 7a_100000210342_100011215043 [0,2,0,0,0,0|0,0,2]=4 11443 B12R1.28 OCCCOc1cccc(c1)Cl 34a_100000210295_100000230001 [0,2,0,0,0,0|0,0,2]=4 11444 B12R1.28 OCCCOc1cccc(c1)Cl 7a_100000210295_100011215043 [0,2,0,0,0,0|0,0,2]=4 11445 B12R1.28 OCCCOc1cccc(c1)F 34a_100000210426_100000230001 [0,2,0,0,0,0|0,0,2]=4 11446 B12R1.28 OCCCOc1cccc(c1)F 7a_100000210426_100011215043 [0,2,0,0,0,0|0,0,2]=4 11447 B12R1.28 OCCCOc1cccc(c1)I 34a_100000211634_100000230001 [0,2,0,0,0,0|0,0,2]=4 11448 B12R1.28 OCCCOc1cccc(c1)I 7a_100000211634_100011215043 [0,2,0,0,0,0|0,0,2]=4 11449 B12R1.28 OCCOCc1cccc(c1)Br 34a_100000687537_100000211926 [0,2,0,0,0,0|1,0,1]=4 11450 B12R1.28 OCCOCc1cccc(c1)Br 7a_100000687537_100000211926 [0,2,0,0,0,0|1,0,1]=4 11451 B12R1.28 OCCOCc1cccc(c1)Cl 34a_100000241301_100000211926 [0,2,0,0,0,0|1,0,1]=4 11452 B12R1.28 OCCOCc1cccc(c1)Cl 7a_100000241301_100000211926 [0,2,0,0,0,0|1,0,1]=4 11453 B12R1.28 OCCOCc1cccc(c1)F 34a_100000210976_100000211926 [0,2,0,0,0,0|1,0,1]=4 11454 B12R1.28 OCCOCc1cccc(c1)F 7a_100000210976_100000211926 [0,2,0,0,0,0|1,0,1]=4 11455 B12R1.28 OCCOCc1cccc(c1)I 34a_100011215336_100000211926 [0,2,0,0,0,0|1,0,1]=4 11456 B12R1.28 OCCOCc1cccc(c1)I 7a_100011215336_100000211926 [0,2,0,0,0,0|1,0,1]=4 11457 B12R1.28 Oc1cccc(c1)COCCBr 34a_100000211926_100011660834 [0,2,0,0,0,0|1,0,1]=4 11458 B12R1.28 [13CH3]NCCOc1cccc(c1)Br 2230a_100000743521_200025704644 [0,2,0,0,0,0|0,0,2]=4 11459 B12R1.28 [13CH3]NCCOc1cccc(c1)Br 34a_100000743521_200025704644 [0,2,0,0,0,0|0,0,2]=4 11460 B12R1.28 [13CH3]NCCOc1cccc(c1)Cl 2230a_100000740232_200025704644 [0,2,0,0,0,0|0,0,2]=4 11461 B12R1.28 [13CH3]NCCOc1cccc(c1)Cl 34a_100000740232_200025704644 [0,2,0,0,0,0|0,0,2]=4 11462 B12R1.28 [13CH3]NCCOc1cccc(c1)F 2230a_100000738948_200025704644 [0,2,0,0,0,0|0,0,2]=4 11463 B12R1.28 [13CH3]NCCOc1cccc(c1)F 34a_100000738948_200025704644 [0,2,0,0,0,0|0,0,2]=4 11464 B12R1.28 [13CH3]OCCOc1cccc(c1)Br 34a_100000757546_200025704644 [0,2,0,0,0,0|0,0,2]=4 11465 B12R1.28 [13CH3]OCCOc1cccc(c1)Br 7a_100000757546_200025704644 [0,2,0,0,0,0|0,0,2]=4 11466 B12R1.28 [13CH3]OCCOc1cccc(c1)Cl 34a_100000230539_200025704644 [0,2,0,0,0,0|0,0,2]=4 11467 B12R1.28 [13CH3]OCCOc1cccc(c1)Cl 7a_100000230539_200025704644 [0,2,0,0,0,0|0,0,2]=4 11468 B12R1.28 [13CH3]OCCOc1cccc(c1)N 34a_100011232151_200025704644 [0,2,0,0,0,0|0,0,2]=4 11469 B12R1.28 [13CH3]SCCOc1cccc(c1)Br 62a_100000183150_200025704644 [0,2,0,0,0,0|0,0,2]=4 11470 B12R1.28 [13CH3]SCCOc1cccc(c1)Br 62a_200025704644_100000183150 [0,2,0,0,0,0|0,0,2]=4 11471 B12R1.28 [13CH3]SCCOc1cccc(c1)Cl 62a_100000181161_200025704644 [0,2,0,0,0,0|0,0,2]=4 11472 B12R1.28 [13CH3]SCCOc1cccc(c1)Cl 62a_200025704644_100000181161 [0,2,0,0,0,0|0,0,2]=4 11473 B12R1.28 [13CH3]SCCOc1cccc(c1)F 62a_100000739188_200025704644 [0,2,0,0,0,0|0,0,2]=4 11474 B12R1.28 [13CH3]SCCOc1cccc(c1)F 62a_200025704644_100000739188 [0,2,0,0,0,0|0,0,2]=4 11475 B12R1.50 C#CC(C)Oc1cccc(c1)Br 34a_100000210342_200000035995 [0,2,0,0,0,0|0,0,2]=4 11476 B12R1.50 C#CC(C)Oc1cccc(c1)C 34a_100000210337_200000035995 [0,2,0,0,0,0|0,0,2]=4 11477 B12R1.50 C#CC(C)Oc1cccc(c1)Cl 34a_100000210295_200000035995 [0,2,0,0,0,0|0,0,2]=4 11478 B12R1.50 C#CC(C)Oc1cccc(c1)F 34a_100000210426_200000035995 [0,2,0,0,0,0|0,0,2]=4 11479 B12R1.50 C#CC(C)Oc1cccc(c1)I 34a_100000211634_200000035995 [0,2,0,0,0,0|0,0,2]=4 11480 B12R1.50 C#CC(C)Oc1cccc(c1)N 34a_100000210217_200000035995 [0,2,0,0,0,0|0,0,2]=4 11481 B12R1.50 C=CC(=O)Cc1cccc(c1)Br 1458a_100000185746_100000211773 [0,2,0,0,0,0|1,0,1]=4 11482 B12R1.50 C=CC(=O)Cc1cccc(c1)C 1458a_100000185746_100000211840 [0,2,0,0,0,0|1,0,1]=4 11483 B12R1.50 C=CC(=O)Cc1cccc(c1)Cl 1458a_100000185746_100000181238 [0,2,0,0,0,0|1,0,1]=4 11484 B12R1.50 C=CC(=O)Cc1cccc(c1)F 1458a_100000185746_100000230114 [0,2,0,0,0,0|1,0,1]=4 11485 B12R1.50 C=CC(=O)Cc1cccc(c1)I 1458a_100000185746_100011218688 [0,2,0,0,0,0|1,0,1]=4 11486 B12R1.50 C=CC(=O)Cc1cccc(c1)O 1458a_100000185746_100011660834 [0,2,0,0,0,0|1,0,1]=4 11487 B12R1.50 C=CC(=O)Nc1cccc(c1)Br 1626a_100000210019_100000185746 [0,2,0,0,0,0|1,0,1]=4 11488 B12R1.50 C=CC(=O)Nc1cccc(c1)Br 22a_100000210019_100000185746 [0,2,0,0,0,0|1,0,1]=4 11489 B12R1.50 C=CC(=O)Nc1cccc(c1)C 1626a_100000188690_100000185746 [0,2,0,0,0,0|1,0,1]=4 11490 B12R1.50 C=CC(=O)Nc1cccc(c1)C 22a_100000188690_100000185746 [0,2,0,0,0,0|1,0,1]=4 11491 B12R1.50 C=CC(=O)Nc1cccc(c1)Cl 1626a_100000185859_100000185746 [0,2,0,0,0,0|1,0,1]=4 11492 B12R1.50 C=CC(=O)Nc1cccc(c1)Cl 22a_100000185859_100000185746 [0,2,0,0,0,0|1,0,1]=4 11493 B12R1.50 C=CC(=O)Nc1cccc(c1)F 1626a_100000210047_100000185746 [0,2,0,0,0,0|1,0,1]=4 11494 B12R1.50 C=CC(=O)Nc1cccc(c1)F 22a_100000210047_100000185746 [0,2,0,0,0,0|1,0,1]=4 11495 B12R1.50 C=CC(=O)Nc1cccc(c1)I 1626a_100000211102_100000185746 [0,2,0,0,0,0|1,0,1]=4 11496 B12R1.50 C=CC(=O)Nc1cccc(c1)I 22a_100000211102_100000185746 [0,2,0,0,0,0|1,0,1]=4 11497 B12R1.50 C=CC(=O)Nc1cccc(c1)O 1626a_100000210217_100000185746 [0,2,0,0,0,0|1,0,1]=4 11498 B12R1.50 C=CC(=O)Nc1cccc(c1)O 22a_100000210217_100000185746 [0,2,0,0,0,0|1,0,1]=4 11499 B12R1.50 C=CC(C)Sc1cc(ccn1)C 62a_100011215867_100000750283 [0,2,0,0,0,0|1,1,0]=4 11500 B12R1.50 C=CC(C)Sc1cc(ccn1)Cl 62a_100011215867_100010167805 [0,2,0,0,0,0|1,1,0]=4 11501 B12R1.50 C=CC(C)Sc1cc(ccn1)F 62a_100011215867_100000764206 [0,2,0,0,0,0|1,1,0]=4 11502 B12R1.50 C=CC(C)Sc1cc(ccn1)N 62a_100011215867_100009814236 [0,2,0,0,0,0|1,1,0]=4 11503 B12R1.50 C=CC(C)Sc1cc(ccn1)O 62a_100011215867_100000762945 [0,2,0,0,0,0|1,1,0]=4 11504 B12R1.50 C=CC(C)Sc1cc[nH]c(=O)c1 62a_100011215867_100009816521 [0,2,0,0,0,0|1,1,0]=4 11505 B12R1.50 C=CC(C)Sc1ccc[n+](c1)C 62a_100011215867_100009996589 [0,2,0,0,0,0|1,1,0]=4 11506 B12R1.50 C=CC(C)Sc1ccc[n+](c1)[O-] 62a_100011215867_100009815978 [0,2,0,0,0,0|1,1,0]=4 11507 B12R1.50 C=CC(C)Sc1cccc(=O)[nH]1 62a_100011215867_100000752884 [0,2,0,0,0,0|1,1,0]=4 11508 B12R1.50 C=CC(C)Sc1cccc(c1)Br 62a_100011215867_100000691529 [0,2,0,0,0,0|0,1,0]=3 11509 B12R1.50 C=CC(C)Sc1cccc(c1)C 62a_100011215867_100011215228 [0,2,0,0,0,0|0,1,0]=3 11510 B12R1.50 C=CC(C)Sc1cccc(c1)Cl 62a_100011215867_100000699651 [0,2,0,0,0,0|0,1,0]=3 11511 B12R1.50 C=CC(C)Sc1cccc(c1)F 62a_100011215867_100000685547 [0,2,0,0,0,0|0,1,0]=3 11512 B12R1.50 C=CC(C)Sc1cccc(c1)N 62a_100011215867_100000210019 [0,2,0,0,0,0|0,1,0]=3 11513 B12R1.50 C=CC(C)Sc1cccc(c1)O 62a_100011215867_100000211634 [0,2,0,0,0,0|0,1,0]=3 11514 B12R1.50 C=CC(C)Sc1cccc(c1)[S] 62a_100011215867_114929384022 [0,2,0,0,0,0|0,1,0]=3 11515 B12R1.50 C=CC(C)Sc1cccc(n1)Br 62a_100011215867_100000684672 [0,2,0,0,0,0|1,1,0]=4 11516 B12R1.50 C=CC(C)Sc1cccc(n1)C 62a_100011215867_100000742759 [0,2,0,0,0,0|1,1,0]=4 11517 B12R1.50 C=CC(C)Sc1cccc(n1)Cl 62a_100011215867_100000051397 [0,2,0,0,0,0|1,1,0]=4 11518 B12R1.50 C=CC(C)Sc1cccc(n1)F 62a_100011215867_100009815982 [0,2,0,0,0,0|1,1,0]=4 11519 B12R1.50 C=CC(C)Sc1cccc(n1)N 62a_100011215867_100000740741 [0,2,0,0,0,0|1,1,0]=4 11520 B12R1.50 C=CC(C)Sc1ccnc(c1)Br 62a_100011215867_100009814637 [0,2,0,0,0,0|1,1,0]=4 11521 B12R1.50 C=CC(C)Sc1ccnc(c1)C 62a_100011215867_100000758586 [0,2,0,0,0,0|1,1,0]=4 11522 B12R1.50 C=CC(C)Sc1ccnc(c1)Cl 62a_100011215867_100000035001 [0,2,0,0,0,0|1,1,0]=4 11523 B12R1.50 C=CC(C)Sc1ccnc(c1)F 62a_100011215867_100009816116 [0,2,0,0,0,0|1,1,0]=4 11524 B12R1.50 C=CC(C)Sc1ccnc(c1)N 62a_100011215867_100000049665 [0,2,0,0,0,0|1,1,0]=4 11525 B12R1.50 C=CC(C)Sc1cncc(c1)Br 62a_100011215867_100000728054 [0,2,0,0,0,0|1,1,0]=4 11526 B12R1.50 C=CC(C)Sc1cncc(c1)C 62a_100011215867_100000760492 [0,2,0,0,0,0|1,1,0]=4 11527 B12R1.50 C=CC(C)Sc1cncc(c1)Cl 62a_100011215867_100000049639 [0,2,0,0,0,0|1,1,0]=4 11528 B12R1.50 C=CC(C)Sc1cncc(c1)F 62a_100011215867_100000744099 [0,2,0,0,0,0|1,1,0]=4 11529 B12R1.50 C=CC(C)Sc1cncc(c1)N 62a_100011215867_100000687067 [0,2,0,0,0,0|1,1,0]=4 11530 B12R1.50 C=CC(C)Sc1cncc(c1)O 62a_100011215867_100000754920 [0,2,0,0,0,0|1,1,0]=4 11531 B12R1.50 CC(C#N)Oc1cccc(c1)Br 7a_100000210342_100000703298 [0,2,0,0,0,0|1,0,1]=4 11532 B12R1.50 CC(C#N)Oc1cccc(c1)Cl 7a_100000210295_100000703298 [0,2,0,0,0,0|1,0,1]=4 11533 B12R1.50 CC(C#N)Oc1cccc(c1)F 7a_100000210426_100000703298 [0,2,0,0,0,0|1,0,1]=4 11534 B12R1.50 CC(C#N)Oc1cccc(c1)I 7a_100000211634_100000703298 [0,2,0,0,0,0|1,0,1]=4 11535 B12R1.50 CC(CO)Oc1cccc(c1)Br 34a_100000210342_100012180447 [0,2,0,0,0,0|1,0,1]=4 11536 B12R1.50 CC(CO)Oc1cccc(c1)Br 7a_100000210342_100012180447 [0,2,0,0,0,0|1,0,1]=4 11537 B12R1.50 CC(CO)Oc1cccc(c1)Cl 34a_100000210295_100012180447 [0,2,0,0,0,0|1,0,1]=4 11538 B12R1.50 CC(CO)Oc1cccc(c1)Cl 7a_100000210295_100012180447 [0,2,0,0,0,0|1,0,1]=4 11539 B12R1.50 CC(CO)Oc1cccc(c1)F 34a_100000210426_100012180447 [0,2,0,0,0,0|1,0,1]=4 11540 B12R1.50 CC(CO)Oc1cccc(c1)F 7a_100000210426_100012180447 [0,2,0,0,0,0|1,0,1]=4 11541 B12R1.50 CC(CO)Oc1cccc(c1)I 34a_100000211634_100012180447 [0,2,0,0,0,0|1,0,1]=4 11542 B12R1.50 CC(CO)Oc1cccc(c1)I 7a_100000211634_100012180447 [0,2,0,0,0,0|1,0,1]=4 11543 B12R1.50 CC(CO)Oc1cccc(c1)N 34a_100000210217_100012180447 [0,2,0,0,0,0|1,0,1]=4 11544 B12R1.50 CCC(C)Oc1cccc(c1)Br 34a_100000210342_100011215416 [0,2,0,0,0,0|0,0,2]=4 11545 B12R1.50 CCC(C)Oc1cccc(c1)Br 7a_100000210342_100000758301 [0,2,0,0,0,0|0,0,2]=4 11546 B12R1.50 CCC(C)Oc1cccc(c1)C 34a_100000210337_100011215416 [0,2,0,0,0,0|0,0,2]=4 11547 B12R1.50 CCC(C)Oc1cccc(c1)C 7a_100000210337_100000758301 [0,2,0,0,0,0|0,0,2]=4 11548 B12R1.50 CCC(C)Oc1cccc(c1)Cl 34a_100000210295_100011215416 [0,2,0,0,0,0|0,0,2]=4 11549 B12R1.50 CCC(C)Oc1cccc(c1)Cl 7a_100000210295_100000758301 [0,2,0,0,0,0|0,0,2]=4 11550 B12R1.50 CCC(C)Oc1cccc(c1)F 34a_100000210426_100011215416 [0,2,0,0,0,0|0,0,2]=4 11551 B12R1.50 CCC(C)Oc1cccc(c1)F 7a_100000210426_100000758301 [0,2,0,0,0,0|0,0,2]=4 11552 B12R1.50 CCC(C)Oc1cccc(c1)I 34a_100000211634_100011215416 [0,2,0,0,0,0|0,0,2]=4 11553 B12R1.50 CCC(C)Oc1cccc(c1)I 7a_100000211634_100000758301 [0,2,0,0,0,0|0,0,2]=4 11554 B12R1.50 CCC(C)Oc1cccc(c1)N 34a_100000210217_100011215416 [0,2,0,0,0,0|0,0,2]=4 11555 B12R1.50 CCC(C)Oc1cccc(c1)O 271570a_203496583355_200011236628 [0,2,0,0,0,0|0,0,2]=4 11556 B12R1.50 Cc1cccc(c1)OC(C)C#N 7a_100000210337_100000703298 [0,2,0,0,0,0|1,0,1]=4 11557 B12R1.50 Cc1cccc(c1)OC(C)CO 34a_100000210337_100012180447 [0,2,0,0,0,0|1,0,1]=4 11558 B12R1.50 Cc1cccc(c1)OC(C)CO 7a_100000210337_100012180447 [0,2,0,0,0,0|1,0,1]=4 11559 B12R1.100 C#CCOc1cc(cc(c1)Br)Br 34a_100010167048_100000184674 [0,2,0,0,0,0|0,0,2]=4 11560 B12R1.100 C#CCOc1cc(cc(c1)Br)Br 7a_100010167048_100000038162 [0,2,0,0,0,0|0,0,2]=4 11561 B12R1.100 C#CCOc1cc(cc(c1)Br)C 34a_100011999630_100000184674 [0,2,0,0,0,0|0,0,2]=4 11562 B12R1.100 C#CCOc1cc(cc(c1)Br)C 7a_100011999630_100000038162 [0,2,0,0,0,0|0,0,2]=4 11563 B12R1.100 C#CCOc1cc(cc(c1)Br)Cl 34a_100010185897_100000184674 [0,2,0,0,0,0|0,0,2]=4 11564 B12R1.100 C#CCOc1cc(cc(c1)Br)Cl 7a_100010185897_100000038162 [0,2,0,0,0,0|0,0,2]=4 11565 B12R1.100 C#CCOc1cc(cc(c1)Br)F 34a_100000688818_100000184674 [0,2,0,0,0,0|0,0,2]=4 11566 B12R1.100 C#CCOc1cc(cc(c1)Br)F 7a_100000688818_100000038162 [0,2,0,0,0,0|0,0,2]=4 11567 B12R1.100 C#CCOc1cc(cc(c1)C)C 34a_100000210933_100000184674 [0,2,0,0,0,0|0,0,2]=4 11568 B12R1.100 C#CCOc1cc(cc(c1)C)C 7a_100000210933_100000038162 [0,2,0,0,0,0|0,0,2]=4 11569 B12R1.100 C#CCOc1cc(cc(c1)Cl)C 34a_100000087485_100000184674 [0,2,0,0,0,0|0,0,2]=4 11570 B12R1.100 C#CCOc1cc(cc(c1)Cl)C 7a_100000087485_100000038162 [0,2,0,0,0,0|0,0,2]=4 11571 B12R1.100 C#CCOc1cc(cc(c1)Cl)Cl 34a_100000181315_100000184674 [0,2,0,0,0,0|0,0,2]=4 11572 B12R1.100 C#CCOc1cc(cc(c1)Cl)Cl 7a_100000181315_100000038162 [0,2,0,0,0,0|0,0,2]=4 11573 B12R1.100 C#CCOc1cc(cc(c1)Cl)F 34a_100011219751_100000184674 [0,2,0,0,0,0|0,0,2]=4 11574 B12R1.100 C#CCOc1cc(cc(c1)Cl)F 7a_100011219751_100000038162 [0,2,0,0,0,0|0,0,2]=4 11575 B12R1.100 C#CCOc1cc(cc(c1)Cl)N 34a_100000123917_100000184674 [0,2,0,0,0,0|0,0,2]=4 11576 B12R1.100 C#CCOc1cc(cc(c1)Cl)N 7a_100000123917_100000038162 [0,2,0,0,0,0|0,0,2]=4 11577 B12R1.100 C#CCOc1cc(cc(c1)F)C 34a_100011830401_100000184674 [0,2,0,0,0,0|0,0,2]=4 11578 B12R1.100 C#CCOc1cc(cc(c1)F)C 7a_100011830401_100000038162 [0,2,0,0,0,0|0,0,2]=4 11579 B12R1.100 C#CCOc1cc(cc(c1)F)F 34a_100000747503_100000184674 [0,2,0,0,0,0|0,0,2]=4 11580 B12R1.100 C#CCOc1cc(cc(c1)F)F 7a_100000747503_100000038162 [0,2,0,0,0,0|0,0,2]=4 11581 B12R1.100 C#CCOc1cc(cc(c1)I)Br 34a_100010068917_100000184674 [0,2,0,0,0,0|0,0,2]=4 11582 B12R1.100 C#CCOc1cc(cc(c1)I)Br 7a_100010068917_100000038162 [0,2,0,0,0,0|0,0,2]=4 11583 B12R1.100 C#CCOc1cc(cc(c1)I)Cl 34a_100010068924_100000184674 [0,2,0,0,0,0|0,0,2]=4 11584 B12R1.100 C#CCOc1cc(cc(c1)I)Cl 7a_100010068924_100000038162 [0,2,0,0,0,0|0,0,2]=4 11585 B12R1.100 C#CCOc1cc(cc(c1)I)F 34a_100000717995_100000184674 [0,2,0,0,0,0|0,0,2]=4 11586 B12R1.100 C#CCOc1cc(cc(c1)I)F 7a_100000717995_100000038162 [0,2,0,0,0,0|0,0,2]=4 11587 B12R1.100 C#CCOc1cc(cc(c1)N)C 34a_100011995906_100000184674 [0,2,0,0,0,0|0,0,2]=4 11588 B12R1.100 C#CCOc1cc(cc(c1)N)C 7a_100011995906_100000038162 [0,2,0,0,0,0|0,0,2]=4 11589 B12R1.100 C=CCNc1cc([nH]c(=O)c1)C 27a_100020586998_100009861981 [0,2,0,0,0,0|2,0,0]=4 11590 B12R1.100 C=CCNc1cc(cc(c1)Br)Br 27a_100020586998_100009814770 [0,2,0,0,0,0|1,0,0]=3 11591 B12R1.100 C=CCNc1cc(cc(c1)Br)Br 34a_100012047176_100015514636 [0,2,0,0,0,0|1,0,0]=3 11592 B12R1.100 C=CCNc1cc(cc(c1)Br)Br 7a_100012047176_100015514636 [0,2,0,0,0,0|1,0,0]=3 11593 B12R1.100 C=CCNc1cc(cc(c1)Br)C 34a_100000695972_100015514636 [0,2,0,0,0,0|1,0,0]=3 11594 B12R1.100 C=CCNc1cc(cc(c1)Br)C 7a_100000695972_100015514636 [0,2,0,0,0,0|1,0,0]=3 11595 B12R1.100 C=CCNc1cc(cc(c1)Br)Cl 34a_100011934539_100015514636 [0,2,0,0,0,0|1,0,0]=3 11596 B12R1.100 C=CCNc1cc(cc(c1)Br)Cl 7a_100011934539_100015514636 [0,2,0,0,0,0|1,0,0]=3 11597 B12R1.100 C=CCNc1cc(cc(c1)Br)F 34a_100000705686_100015514636 [0,2,0,0,0,0|1,0,0]=3 11598 B12R1.100 C=CCNc1cc(cc(c1)Br)F 7a_100000705686_100015514636 [0,2,0,0,0,0|1,0,0]=3 11599 B12R1.100 C=CCNc1cc(cc(c1)C)C 2230a_100000210930_100000210623 [0,2,0,0,0,0|1,0,0]=3 11600 B12R1.100 C=CCNc1cc(cc(c1)C)C 34a_100000210930_100015514636 [0,2,0,0,0,0|1,0,0]=3 11601 B12R1.100 C=CCNc1cc(cc(c1)C)C 7a_100000210930_100015514636 [0,2,0,0,0,0|1,0,0]=3 11602 B12R1.100 C=CCNc1cc(cc(c1)Cl)C 2230a_100012022512_100000210623 [0,2,0,0,0,0|1,0,0]=3 11603 B12R1.100 C=CCNc1cc(cc(c1)Cl)C 34a_100012022512_100015514636 [0,2,0,0,0,0|1,0,0]=3 11604 B12R1.100 C=CCNc1cc(cc(c1)Cl)C 7a_100012022512_100015514636 [0,2,0,0,0,0|1,0,0]=3 11605 B12R1.100 C=CCNc1cc(cc(c1)Cl)Cl 34a_100000210456_100015514636 [0,2,0,0,0,0|1,0,0]=3 11606 B12R1.100 C=CCNc1cc(cc(c1)Cl)Cl 7a_100000210456_100015514636 [0,2,0,0,0,0|1,0,0]=3 11607 B12R1.100 C=CCNc1cc(cc(c1)Cl)F 34a_100000686136_100015514636 [0,2,0,0,0,0|1,0,0]=3 11608 B12R1.100 C=CCNc1cc(cc(c1)Cl)F 7a_100000686136_100015514636 [0,2,0,0,0,0|1,0,0]=3 11609 B12R1.100 C=CCNc1cc(cc(c1)Cl)O 34a_100000123917_100015514636 [0,2,0,0,0,0|1,0,0]=3 11610 B12R1.100 C=CCNc1cc(cc(c1)Cl)O 7a_100000123917_100015514636 [0,2,0,0,0,0|1,0,0]=3 11611 B12R1.100 C=CCNc1cc(cc(c1)F)C 2230a_100000742734_100000210623 [0,2,0,0,0,0|1,0,0]=3 11612 B12R1.100 C=CCNc1cc(cc(c1)F)C 34a_100000742734_100015514636 [0,2,0,0,0,0|1,0,0]=3 11613 B12R1.100 C=CCNc1cc(cc(c1)F)C 7a_100000742734_100015514636 [0,2,0,0,0,0|1,0,0]=3 11614 B12R1.100 C=CCNc1cc(cc(c1)F)F 34a_100000233717_100015514636 [0,2,0,0,0,0|1,0,0]=3 11615 B12R1.100 C=CCNc1cc(cc(c1)F)F 7a_100000233717_100015514636 [0,2,0,0,0,0|1,0,0]=3 11616 B12R1.100 C=CCNc1cc(cc(c1)I)Br 7a_100009814763_100015514636 [0,2,0,0,0,0|1,0,0]=3 11617 B12R1.100 C=CCNc1cc(cc(c1)I)Cl 7a_100010147676_100015514636 [0,2,0,0,0,0|1,0,0]=3 11618 B12R1.100 C=CCNc1cc(cc(c1)I)F 34a_100011356972_100015514636 [0,2,0,0,0,0|1,0,0]=3 11619 B12R1.100 C=CCNc1cc(cc(c1)I)F 7a_100011356972_100015514636 [0,2,0,0,0,0|1,0,0]=3 11620 B12R1.100 C=CCNc1cc(cc(c1)I)I 7a_200000696836_100015514636 [0,2,0,0,0,0|1,0,0]=3 11621 B12R1.100 C=CCNc1cc(cc(c1)O)C 34a_100011995906_100015514636 [0,2,0,0,0,0|1,0,0]=3 11622 B12R1.100 C=CCNc1cc(cc(c1)O)C 7a_100011995906_100015514636 [0,2,0,0,0,0|1,0,0]=3 11623 B12R1.100 C=CCNc1cc(cc(c1)O)O 34a_100000043371_100015514636 [0,2,0,0,0,0|1,0,0]=3 11624 B12R1.100 C=CCNc1cc(cc(n1)C)C 27a_100020586998_100000069240 [0,2,0,0,0,0|2,0,0]=4 11625 B12R1.100 C=CCNc1cc(cc(n1)F)C 27a_100020586998_100009819601 [0,2,0,0,0,0|2,0,0]=4 11626 B12R1.100 C=CCNc1cc(nc(c1)C)C 27a_100020586998_100000066820 [0,2,0,0,0,0|2,0,0]=4 11627 B12R1.100 C=CCNc1cc(nc(c1)Cl)C 27a_100020586998_100010068023 [0,2,0,0,0,0|2,0,0]=4 11628 B12R1.100 C=CCNc1cc(nc(c1)Cl)F 27a_100020586998_100011069727 [0,2,0,0,0,0|2,0,0]=4 11629 B12R1.100 C=CCNc1cc(nc(c1)F)C 27a_100020586998_100010006595 [0,2,0,0,0,0|2,0,0]=4 11630 B12R1.100 C=CCNc1cc(nc(c1)F)F 27a_100020586998_100000049587 [0,2,0,0,0,0|2,0,0]=4 11631 B12R1.100 C=CCOc1cc(=O)cc(o1)C 34a_100016989201_100015514636 [0,2,0,0,0,0|1,0,0]=3 11632 B12R1.100 C=CCOc1cc([nH]c(=O)c1)C 34a_100000039070_100015514636 [0,2,0,0,0,0|1,0,0]=3 11633 B12R1.100 C=CCOc1cc(cc(c1)Br)Br 34a_100010167048_100015514636 [0,2,0,0,0,0|0,0,0]=2 11634 B12R1.100 C=CCOc1cc(cc(c1)Br)Br 7a_100010167048_100015514636 [0,2,0,0,0,0|0,0,0]=2 11635 B12R1.100 C=CCOc1cc(cc(c1)Br)C 34a_100011999630_100015514636 [0,2,0,0,0,0|0,0,0]=2 11636 B12R1.100 C=CCOc1cc(cc(c1)Br)C 7a_100011999630_100015514636 [0,2,0,0,0,0|0,0,0]=2 11637 B12R1.100 C=CCOc1cc(cc(c1)Br)Cl 34a_100010185897_100015514636 [0,2,0,0,0,0|0,0,0]=2 11638 B12R1.100 C=CCOc1cc(cc(c1)Br)Cl 7a_100010185897_100015514636 [0,2,0,0,0,0|0,0,0]=2 11639 B12R1.100 C=CCOc1cc(cc(c1)Br)F 34a_100000688818_100015514636 [0,2,0,0,0,0|0,0,0]=2 11640 B12R1.100 C=CCOc1cc(cc(c1)Br)F 7a_100000688818_100015514636 [0,2,0,0,0,0|0,0,0]=2 11641 B12R1.100 C=CCOc1cc(cc(c1)C)C 34a_100000210933_100015514636 [0,2,0,0,0,0|0,0,0]=2 11642 B12R1.100 C=CCOc1cc(cc(c1)C)C 7a_100000210933_100015514636 [0,2,0,0,0,0|0,0,0]=2 11643 B12R1.100 C=CCOc1cc(cc(c1)Cl)C 34a_100000087485_100015514636 [0,2,0,0,0,0|0,0,0]=2 11644 B12R1.100 C=CCOc1cc(cc(c1)Cl)C 7a_100000087485_100015514636 [0,2,0,0,0,0|0,0,0]=2 11645 B12R1.100 C=CCOc1cc(cc(c1)Cl)Cl 34a_100000181315_100015514636 [0,2,0,0,0,0|0,0,0]=2 11646 B12R1.100 C=CCOc1cc(cc(c1)Cl)Cl 7a_100000181315_100015514636 [0,2,0,0,0,0|0,0,0]=2 11647 B12R1.100 C=CCOc1cc(cc(c1)Cl)F 34a_100011219751_100015514636 [0,2,0,0,0,0|0,0,0]=2 11648 B12R1.100 C=CCOc1cc(cc(c1)Cl)F 7a_100011219751_100015514636 [0,2,0,0,0,0|0,0,0]=2 11649 B12R1.100 C=CCOc1cc(cc(c1)Cl)N 34a_100000123917_100015514636 [0,2,0,0,0,0|0,0,0]=2 11650 B12R1.100 C=CCOc1cc(cc(c1)Cl)N 7a_100000123917_100015514636 [0,2,0,0,0,0|0,0,0]=2 11651 B12R1.100 C=CCOc1cc(cc(c1)F)C 34a_100011830401_100015514636 [0,2,0,0,0,0|0,0,0]=2 11652 B12R1.100 C=CCOc1cc(cc(c1)F)C 7a_100011830401_100015514636 [0,2,0,0,0,0|0,0,0]=2 11653 B12R1.100 C=CCOc1cc(cc(c1)F)F 34a_100000747503_100015514636 [0,2,0,0,0,0|0,0,0]=2 11654 B12R1.100 C=CCOc1cc(cc(c1)F)F 7a_100000747503_100015514636 [0,2,0,0,0,0|0,0,0]=2 11655 B12R1.100 C=CCOc1cc(cc(c1)I)Br 34a_100010068917_100015514636 [0,2,0,0,0,0|0,0,0]=2 11656 B12R1.100 C=CCOc1cc(cc(c1)I)Br 7a_100010068917_100015514636 [0,2,0,0,0,0|0,0,0]=2 11657 B12R1.100 C=CCOc1cc(cc(c1)I)Cl 34a_100010068924_100015514636 [0,2,0,0,0,0|0,0,0]=2 11658 B12R1.100 C=CCOc1cc(cc(c1)I)Cl 7a_100010068924_100015514636 [0,2,0,0,0,0|0,0,0]=2 11659 B12R1.100 C=CCOc1cc(cc(c1)I)F 34a_100000717995_100015514636 [0,2,0,0,0,0|0,0,0]=2 11660 B12R1.100 C=CCOc1cc(cc(c1)I)F 7a_100000717995_100015514636 [0,2,0,0,0,0|0,0,0]=2 11661 B12R1.100 C=CCOc1cc(cc(c1)N)C 34a_100011995906_100015514636 [0,2,0,0,0,0|0,0,0]=2 11662 B12R1.100 C=CCOc1cc(cc(c1)N)C 7a_100011995906_100015514636 [0,2,0,0,0,0|0,0,0]=2 11663 B12R1.100 C=CCOc1cc(nc(c1)Br)Br 34a_100010172823_100015514636 [0,2,0,0,0,0|1,0,0]=3 11664 B12R1.100 C=CCOc1cc(nc(c1)Br)Br 7a_100010172823_100015514636 [0,2,0,0,0,0|1,0,0]=3 11665 B12R1.100 C=CCOc1cc(nc(n1)O)C 271570a_203496583355_200011684435 [0,2,0,0,0,0|2,0,0]=4 11666 B12R1.100 C=CCOc1cc(oc(=O)c1)C 34a_100000210952_100015514636 [0,2,0,0,0,0|1,0,0]=3 11667 B12R1.100 C=CCOc1cc(oc(=O)c1)C 7a_100000210952_100015514636 [0,2,0,0,0,0|1,0,0]=3 11668 B12R1.100 C=CCSc1cc([nH]c(=O)c1)C 62a_100000210623_100009861981 [0,2,0,0,0,0|1,1,0]=4 11669 B12R1.100 C=CCSc1cc([nH]c(=O)c1)C 62a_100009861981_100000210623 [0,2,0,0,0,0|1,1,0]=4 11670 B12R1.100 C=CCSc1cc(cc(c1)Br)Br 62a_100000210623_100009814770 [0,2,0,0,0,0|0,1,0]=3 11671 B12R1.100 C=CCSc1cc(cc(c1)Br)Br 62a_100009814770_100000210623 [0,2,0,0,0,0|0,1,0]=3 11672 B12R1.100 C=CCSc1cc(cc(c1)Br)Cl 62a_100000210623_100009814755 [0,2,0,0,0,0|0,1,0]=3 11673 B12R1.100 C=CCSc1cc(cc(c1)Br)Cl 62a_100009814755_100000210623 [0,2,0,0,0,0|0,1,0]=3 11674 B12R1.100 C=CCSc1cc(cc(c1)Br)F 62a_100000210623_100009814764 [0,2,0,0,0,0|0,1,0]=3 11675 B12R1.100 C=CCSc1cc(cc(c1)Br)F 62a_100009814764_100000210623 [0,2,0,0,0,0|0,1,0]=3 11676 B12R1.100 C=CCSc1cc(cc(c1)Br)N 62a_100000210623_100009814763 [0,2,0,0,0,0|0,1,0]=3 11677 B12R1.100 C=CCSc1cc(cc(c1)Br)N 62a_100009814763_100000210623 [0,2,0,0,0,0|0,1,0]=3 11678 B12R1.100 C=CCSc1cc(cc(c1)Br)O 62a_100000210623_100010068917 [0,2,0,0,0,0|0,1,0]=3 11679 B12R1.100 C=CCSc1cc(cc(c1)Br)O 62a_100010068917_100000210623 [0,2,0,0,0,0|0,1,0]=3 11680 B12R1.100 C=CCSc1cc(cc(c1)C)C 62a_100000210623_100011215608 [0,2,0,0,0,0|0,1,0]=3 11681 B12R1.100 C=CCSc1cc(cc(c1)C)C 62a_100011215608_100000210623 [0,2,0,0,0,0|0,1,0]=3 11682 B12R1.100 C=CCSc1cc(cc(c1)Cl)C 62a_100000210623_100010172791 [0,2,0,0,0,0|0,1,0]=3 11683 B12R1.100 C=CCSc1cc(cc(c1)Cl)C 62a_100010172791_100000210623 [0,2,0,0,0,0|0,1,0]=3 11684 B12R1.100 C=CCSc1cc(cc(c1)Cl)Cl 62a_100000210623_100000747138 [0,2,0,0,0,0|0,1,0]=3 11685 B12R1.100 C=CCSc1cc(cc(c1)Cl)Cl 62a_100000747138_100000210623 [0,2,0,0,0,0|0,1,0]=3 11686 B12R1.100 C=CCSc1cc(cc(c1)Cl)F 62a_100000210623_100013859453 [0,2,0,0,0,0|0,1,0]=3 11687 B12R1.100 C=CCSc1cc(cc(c1)Cl)F 62a_100013859453_100000210623 [0,2,0,0,0,0|0,1,0]=3 11688 B12R1.100 C=CCSc1cc(cc(c1)Cl)N 62a_100000210623_100010147676 [0,2,0,0,0,0|0,1,0]=3 11689 B12R1.100 C=CCSc1cc(cc(c1)Cl)N 62a_100010147676_100000210623 [0,2,0,0,0,0|0,1,0]=3 11690 B12R1.100 C=CCSc1cc(cc(c1)Cl)O 62a_100000210623_100010068924 [0,2,0,0,0,0|0,1,0]=3 11691 B12R1.100 C=CCSc1cc(cc(c1)Cl)O 62a_100010068924_100000210623 [0,2,0,0,0,0|0,1,0]=3 11692 B12R1.100 C=CCSc1cc(cc(c1)F)C 62a_100000210623_100011356977 [0,2,0,0,0,0|0,1,0]=3 11693 B12R1.100 C=CCSc1cc(cc(c1)F)C 62a_100011356977_100000210623 [0,2,0,0,0,0|0,1,0]=3 11694 B12R1.100 C=CCSc1cc(cc(c1)F)F 62a_100000210623_100000233788 [0,2,0,0,0,0|0,1,0]=3 11695 B12R1.100 C=CCSc1cc(cc(c1)F)F 62a_100000233788_100000210623 [0,2,0,0,0,0|0,1,0]=3 11696 B12R1.100 C=CCSc1cc(cc(c1)F)N 62a_100000210623_100011356972 [0,2,0,0,0,0|0,1,0]=3 11697 B12R1.100 C=CCSc1cc(cc(c1)F)N 62a_100011356972_100000210623 [0,2,0,0,0,0|0,1,0]=3 11698 B12R1.100 C=CCSc1cc(cc(c1)F)O 62a_100000210623_100000688818 [0,2,0,0,0,0|0,1,0]=3 11699 B12R1.100 C=CCSc1cc(cc(c1)F)O 62a_100000688818_100000210623 [0,2,0,0,0,0|0,1,0]=3 11700 B12R1.100 C=CCSc1cc(cc(c1)N)C 62a_100000210623_100000695972 [0,2,0,0,0,0|0,1,0]=3 11701 B12R1.100 C=CCSc1cc(cc(c1)N)C 62a_100000695972_100000210623 [0,2,0,0,0,0|0,1,0]=3 11702 B12R1.100 C=CCSc1cc(cc(c1)N)N 62a_100000210623_100011999608 [0,2,0,0,0,0|0,1,0]=3 11703 B12R1.100 C=CCSc1cc(cc(c1)N)N 62a_100011999608_100000210623 [0,2,0,0,0,0|0,1,0]=3 11704 B12R1.100 C=CCSc1cc(cc(c1)O)C 62a_100000210623_100011999630 [0,2,0,0,0,0|0,1,0]=3 11705 B12R1.100 C=CCSc1cc(cc(c1)O)O 62a_100000210623_100009868816 [0,2,0,0,0,0|0,1,0]=3 11706 B12R1.100 C=CCSc1cc(cc(n1)C)C 62a_100000069240_100000210623 [0,2,0,0,0,0|1,1,0]=4 11707 B12R1.100 C=CCSc1cc(cc(n1)C)C 62a_100000210623_100000069240 [0,2,0,0,0,0|1,1,0]=4 11708 B12R1.100 C=CCSc1cc(cc(n1)C)N 62a_100000071261_100000210623 [0,2,0,0,0,0|1,1,0]=4 11709 B12R1.100 C=CCSc1cc(cc(n1)C)N 62a_100000210623_100000071261 [0,2,0,0,0,0|1,1,0]=4 11710 B12R1.100 C=CCSc1cc(cc(n1)F)C 62a_100000210623_100009819601 [0,2,0,0,0,0|1,1,0]=4 11711 B12R1.100 C=CCSc1cc(cc(n1)F)C 62a_100009819601_100000210623 [0,2,0,0,0,0|1,1,0]=4 11712 B12R1.100 C=CCSc1cc(cc(n1)N)C 62a_100000210623_100009819863 [0,2,0,0,0,0|1,1,0]=4 11713 B12R1.100 C=CCSc1cc(cc(n1)N)C 62a_100009819863_100000210623 [0,2,0,0,0,0|1,1,0]=4 11714 B12R1.100 C=CCSc1cc(cc(n1)O)N 62a_100000210623_200012179554 [0,2,0,0,0,0|1,1,0]=4 11715 B12R1.100 C=CCSc1cc(nc(c1)C)C 62a_100000066820_100000210623 [0,2,0,0,0,0|1,1,0]=4 11716 B12R1.100 C=CCSc1cc(nc(c1)C)C 62a_100000210623_100000066820 [0,2,0,0,0,0|1,1,0]=4 11717 B12R1.100 C=CCSc1cc(nc(c1)Cl)C 62a_100000210623_100010068023 [0,2,0,0,0,0|1,1,0]=4 11718 B12R1.100 C=CCSc1cc(nc(c1)Cl)C 62a_100010068023_100000210623 [0,2,0,0,0,0|1,1,0]=4 11719 B12R1.100 C=CCSc1cc(nc(c1)Cl)Cl 62a_100000062418_100000210623 [0,2,0,0,0,0|1,1,0]=4 11720 B12R1.100 C=CCSc1cc(nc(c1)Cl)Cl 62a_100000210623_100000062418 [0,2,0,0,0,0|1,1,0]=4 11721 B12R1.100 C=CCSc1cc(nc(c1)Cl)F 62a_100000210623_100011069727 [0,2,0,0,0,0|1,1,0]=4 11722 B12R1.100 C=CCSc1cc(nc(c1)Cl)F 62a_100011069727_100000210623 [0,2,0,0,0,0|1,1,0]=4 11723 B12R1.100 C=CCSc1cc(nc(c1)Cl)N 62a_100000210623_200011084131 [0,2,0,0,0,0|1,1,0]=4 11724 B12R1.100 C=CCSc1cc(nc(c1)Cl)N 62a_200011084131_100000210623 [0,2,0,0,0,0|1,1,0]=4 11725 B12R1.100 C=CCSc1cc(nc(c1)F)C 62a_100000210623_100010006595 [0,2,0,0,0,0|1,1,0]=4 11726 B12R1.100 C=CCSc1cc(nc(c1)F)C 62a_100010006595_100000210623 [0,2,0,0,0,0|1,1,0]=4 11727 B12R1.100 C=CCSc1cc(nc(c1)F)F 62a_100000049587_100000210623 [0,2,0,0,0,0|1,1,0]=4 11728 B12R1.100 C=CCSc1cc(nc(c1)F)F 62a_100000210623_100000049587 [0,2,0,0,0,0|1,1,0]=4 11729 B12R1.100 C=CCSc1cc(nc(c1)N)C 62a_100000076705_100000210623 [0,2,0,0,0,0|1,1,0]=4 11730 B12R1.100 C=CCSc1cc(nc(c1)N)C 62a_100000210623_100000076705 [0,2,0,0,0,0|1,1,0]=4 11731 B12R1.100 C=CCSc1cc(nc(c1)N)N 62a_100009816676_100000210623 [0,2,0,0,0,0|1,1,0]=4 11732 B12R1.100 CCCOc1cc(cc(c1)Br)Br 34a_100010167048_100000210303 [0,2,0,0,0,0|0,0,2]=4 11733 B12R1.100 CCCOc1cc(cc(c1)Br)Br 7a_100010167048_100000210303 [0,2,0,0,0,0|0,0,2]=4 11734 B12R1.100 CCCOc1cc(cc(c1)Br)C 34a_100011999630_100000210303 [0,2,0,0,0,0|0,0,2]=4 11735 B12R1.100 CCCOc1cc(cc(c1)Br)C 7a_100011999630_100000210303 [0,2,0,0,0,0|0,0,2]=4 11736 B12R1.100 CCCOc1cc(cc(c1)Br)Cl 34a_100010185897_100000210303 [0,2,0,0,0,0|0,0,2]=4 11737 B12R1.100 CCCOc1cc(cc(c1)Br)Cl 7a_100010185897_100000210303 [0,2,0,0,0,0|0,0,2]=4 11738 B12R1.100 CCCOc1cc(cc(c1)Br)F 34a_100000688818_100000210303 [0,2,0,0,0,0|0,0,2]=4 11739 B12R1.100 CCCOc1cc(cc(c1)Br)F 7a_100000688818_100000210303 [0,2,0,0,0,0|0,0,2]=4 11740 B12R1.100 CCCOc1cc(cc(c1)C)C 34a_100000210933_100000210303 [0,2,0,0,0,0|0,0,2]=4 11741 B12R1.100 CCCOc1cc(cc(c1)C)C 7a_100000210933_100000210303 [0,2,0,0,0,0|0,0,2]=4 11742 B12R1.100 CCCOc1cc(cc(c1)Cl)C 34a_100000087485_100000210303 [0,2,0,0,0,0|0,0,2]=4 11743 B12R1.100 CCCOc1cc(cc(c1)Cl)C 7a_100000087485_100000210303 [0,2,0,0,0,0|0,0,2]=4 11744 B12R1.100 CCCOc1cc(cc(c1)Cl)Cl 34a_100000181315_100000210303 [0,2,0,0,0,0|0,0,2]=4 11745 B12R1.100 CCCOc1cc(cc(c1)Cl)Cl 7a_100000181315_100000210303 [0,2,0,0,0,0|0,0,2]=4 11746 B12R1.100 CCCOc1cc(cc(c1)Cl)F 34a_100011219751_100000210303 [0,2,0,0,0,0|0,0,2]=4 11747 B12R1.100 CCCOc1cc(cc(c1)Cl)F 7a_100011219751_100000210303 [0,2,0,0,0,0|0,0,2]=4 11748 B12R1.100 CCCOc1cc(cc(c1)Cl)N 34a_100000123917_100000210303 [0,2,0,0,0,0|0,0,2]=4 11749 B12R1.100 CCCOc1cc(cc(c1)Cl)N 7a_100000123917_100000210303 [0,2,0,0,0,0|0,0,2]=4 11750 B12R1.100 CCCOc1cc(cc(c1)F)C 34a_100011830401_100000210303 [0,2,0,0,0,0|0,0,2]=4 11751 B12R1.100 CCCOc1cc(cc(c1)F)C 7a_100011830401_100000210303 [0,2,0,0,0,0|0,0,2]=4 11752 B12R1.100 CCCOc1cc(cc(c1)F)F 34a_100000747503_100000210303 [0,2,0,0,0,0|0,0,2]=4 11753 B12R1.100 CCCOc1cc(cc(c1)F)F 7a_100000747503_100000210303 [0,2,0,0,0,0|0,0,2]=4 11754 B12R1.100 CCCOc1cc(cc(c1)I)Br 34a_100010068917_100000210303 [0,2,0,0,0,0|0,0,2]=4 11755 B12R1.100 CCCOc1cc(cc(c1)I)Br 7a_100010068917_100000210303 [0,2,0,0,0,0|0,0,2]=4 11756 B12R1.100 CCCOc1cc(cc(c1)I)Cl 34a_100010068924_100000210303 [0,2,0,0,0,0|0,0,2]=4 11757 B12R1.100 CCCOc1cc(cc(c1)I)Cl 7a_100010068924_100000210303 [0,2,0,0,0,0|0,0,2]=4 11758 B12R1.100 CCCOc1cc(cc(c1)I)F 34a_100000717995_100000210303 [0,2,0,0,0,0|0,0,2]=4 11759 B12R1.100 CCCOc1cc(cc(c1)I)F 7a_100000717995_100000210303 [0,2,0,0,0,0|0,0,2]=4 11760 B12R1.100 CCCOc1cc(cc(c1)N)C 34a_100011995906_100000210303 [0,2,0,0,0,0|0,0,2]=4 11761 B12R1.100 CCCOc1cc(cc(c1)N)C 7a_100011995906_100000210303 [0,2,0,0,0,0|0,0,2]=4 11762 B12R1.100 CSCOc1cc(cc(c1)Br)Br 34a_100010167048_100011218213 [0,2,0,0,0,0|1,0,1]=4 11763 B12R1.100 CSCOc1cc(cc(c1)Br)C 34a_100011999630_100011218213 [0,2,0,0,0,0|1,0,1]=4 11764 B12R1.100 CSCOc1cc(cc(c1)Br)Cl 34a_100010185897_100011218213 [0,2,0,0,0,0|1,0,1]=4 11765 B12R1.100 CSCOc1cc(cc(c1)Br)F 34a_100000688818_100011218213 [0,2,0,0,0,0|1,0,1]=4 11766 B12R1.100 CSCOc1cc(cc(c1)C)C 34a_100000210933_100011218213 [0,2,0,0,0,0|1,0,1]=4 11767 B12R1.100 CSCOc1cc(cc(c1)Cl)C 34a_100000087485_100011218213 [0,2,0,0,0,0|1,0,1]=4 11768 B12R1.100 CSCOc1cc(cc(c1)Cl)Cl 34a_100000181315_100011218213 [0,2,0,0,0,0|1,0,1]=4 11769 B12R1.100 CSCOc1cc(cc(c1)Cl)F 34a_100011219751_100011218213 [0,2,0,0,0,0|1,0,1]=4 11770 B12R1.100 CSCOc1cc(cc(c1)Cl)N 34a_100000123917_100011218213 [0,2,0,0,0,0|1,0,1]=4 11771 B12R1.100 CSCOc1cc(cc(c1)F)C 34a_100011830401_100011218213 [0,2,0,0,0,0|1,0,1]=4 11772 B12R1.100 CSCOc1cc(cc(c1)F)F 34a_100000747503_100011218213 [0,2,0,0,0,0|1,0,1]=4 11773 B12R1.100 CSCOc1cc(cc(c1)I)Br 34a_100010068917_100011218213 [0,2,0,0,0,0|1,0,1]=4 11774 B12R1.100 CSCOc1cc(cc(c1)I)Cl 34a_100010068924_100011218213 [0,2,0,0,0,0|1,0,1]=4 11775 B12R1.100 CSCOc1cc(cc(c1)I)F 34a_100000717995_100011218213 [0,2,0,0,0,0|1,0,1]=4 11776 B12R1.100 CSCOc1cc(cc(c1)N)C 34a_100011995906_100011218213 [0,2,0,0,0,0|1,0,1]=4 11777 B12R1.100 Cc1cc(=O)cc(o1)OCC=O 34a_100016989201_200009817547 [0,2,0,0,0,0|2,0,0]=4 11778 B12R1.100 Cc1cc(cc(=O)[nH]1)OCC=O 34a_100000039070_200009817547 [0,2,0,0,0,0|2,0,0]=4 11779 B12R1.100 Cc1cc(cc(=O)o1)OCC=O 34a_100000210952_200009817547 [0,2,0,0,0,0|2,0,0]=4 11780 B12R1.100 Cc1cc(cc(=O)o1)OCC=O 7a_100000210952_200015260668 [0,2,0,0,0,0|2,0,0]=4 11781 B12R1.100 Cc1cc(cc(c1)NCC=O)Br 34a_100000695972_200009817547 [0,2,0,0,0,0|2,0,0]=4 11782 B12R1.100 Cc1cc(cc(c1)NCC=O)Br 7a_100000695972_200015260668 [0,2,0,0,0,0|2,0,0]=4 11783 B12R1.100 Cc1cc(cc(c1)NCC=O)C 2230a_100000210930_200015260668 [0,2,0,0,0,0|2,0,0]=4 11784 B12R1.100 Cc1cc(cc(c1)NCC=O)C 34a_100000210930_200009817547 [0,2,0,0,0,0|2,0,0]=4 11785 B12R1.100 Cc1cc(cc(c1)NCC=O)C 7a_100000210930_200015260668 [0,2,0,0,0,0|2,0,0]=4 11786 B12R1.100 Cc1cc(cc(c1)NCC=O)Cl 2230a_100012022512_200015260668 [0,2,0,0,0,0|2,0,0]=4 11787 B12R1.100 Cc1cc(cc(c1)NCC=O)Cl 34a_100012022512_200009817547 [0,2,0,0,0,0|2,0,0]=4 11788 B12R1.100 Cc1cc(cc(c1)NCC=O)Cl 7a_100012022512_200015260668 [0,2,0,0,0,0|2,0,0]=4 11789 B12R1.100 Cc1cc(cc(c1)NCC=O)F 2230a_100000742734_200015260668 [0,2,0,0,0,0|2,0,0]=4 11790 B12R1.100 Cc1cc(cc(c1)NCC=O)F 34a_100000742734_200009817547 [0,2,0,0,0,0|2,0,0]=4 11791 B12R1.100 Cc1cc(cc(c1)NCC=O)F 7a_100000742734_200015260668 [0,2,0,0,0,0|2,0,0]=4 11792 B12R1.100 Cc1cc(cc(c1)NCC=O)O 34a_100011995906_200009817547 [0,2,0,0,0,0|2,0,0]=4 11793 B12R1.100 Cc1cc(cc(c1)NCC=O)O 7a_100011995906_200015260668 [0,2,0,0,0,0|2,0,0]=4 11794 B12R1.100 Cc1cc(cc(c1)OCC#N)Br 7a_100011999630_100011215382 [0,2,0,0,0,0|1,0,1]=4 11795 B12R1.100 Cc1cc(cc(c1)OCC#N)C 7a_100000210933_100011215382 [0,2,0,0,0,0|1,0,1]=4 11796 B12R1.100 Cc1cc(cc(c1)OCC#N)Cl 7a_100000087485_100011215382 [0,2,0,0,0,0|1,0,1]=4 11797 B12R1.100 Cc1cc(cc(c1)OCC#N)F 7a_100011830401_100011215382 [0,2,0,0,0,0|1,0,1]=4 11798 B12R1.100 Cc1cc(cc(c1)OCC#N)N 7a_100011995906_100011215382 [0,2,0,0,0,0|1,0,1]=4 11799 B12R1.100 Cc1cc(cc(c1)OCC=O)Br 34a_100011999630_200009817547 [0,2,0,0,0,0|1,0,0]=3 11800 B12R1.100 Cc1cc(cc(c1)OCC=O)Br 7a_100011999630_200015260668 [0,2,0,0,0,0|1,0,0]=3 11801 B12R1.100 Cc1cc(cc(c1)OCC=O)C 34a_100000210933_200009817547 [0,2,0,0,0,0|1,0,0]=3 11802 B12R1.100 Cc1cc(cc(c1)OCC=O)C 7a_100000210933_200015260668 [0,2,0,0,0,0|1,0,0]=3 11803 B12R1.100 Cc1cc(cc(c1)OCC=O)Cl 34a_100000087485_200009817547 [0,2,0,0,0,0|1,0,0]=3 11804 B12R1.100 Cc1cc(cc(c1)OCC=O)Cl 7a_100000087485_200015260668 [0,2,0,0,0,0|1,0,0]=3 11805 B12R1.100 Cc1cc(cc(c1)OCC=O)F 34a_100011830401_200009817547 [0,2,0,0,0,0|1,0,0]=3 11806 B12R1.100 Cc1cc(cc(c1)OCC=O)F 7a_100011830401_200015260668 [0,2,0,0,0,0|1,0,0]=3 11807 B12R1.100 Cc1cc(cc(c1)OCC=O)N 34a_100011995906_200009817547 [0,2,0,0,0,0|1,0,0]=3 11808 B12R1.100 Cc1cc(cc(c1)OCC=O)N 7a_100011995906_200015260668 [0,2,0,0,0,0|1,0,0]=3 11809 B12R1.100 Cc1cc(cc(c1)OCCF)Br 34a_100011999630_100011217306 [0,2,0,0,0,0|1,0,1]=4 11810 B12R1.100 Cc1cc(cc(c1)OCCF)Br 7a_100011999630_100011217306 [0,2,0,0,0,0|1,0,1]=4 11811 B12R1.100 Cc1cc(cc(c1)OCCF)C 34a_100000210933_100011217306 [0,2,0,0,0,0|1,0,1]=4 11812 B12R1.100 Cc1cc(cc(c1)OCCF)C 7a_100000210933_100011217306 [0,2,0,0,0,0|1,0,1]=4 11813 B12R1.100 Cc1cc(cc(c1)OCCF)Cl 34a_100000087485_100011217306 [0,2,0,0,0,0|1,0,1]=4 11814 B12R1.100 Cc1cc(cc(c1)OCCF)Cl 7a_100000087485_100011217306 [0,2,0,0,0,0|1,0,1]=4 11815 B12R1.100 Cc1cc(cc(c1)OCCF)F 34a_100011830401_100011217306 [0,2,0,0,0,0|1,0,1]=4 11816 B12R1.100 Cc1cc(cc(c1)OCCF)F 7a_100011830401_100011217306 [0,2,0,0,0,0|1,0,1]=4 11817 B12R1.100 Cc1cc(cc(c1)OCCF)N 34a_100011995906_100011217306 [0,2,0,0,0,0|1,0,1]=4 11818 B12R1.100 Cc1cc(cc(c1)OCCF)N 7a_100011995906_100011217306 [0,2,0,0,0,0|1,0,1]=4 11819 B12R1.100 Cc1cc(cc(c1)OCCO)Br 34a_100011999630_100000211926 [0,2,0,0,0,0|1,0,1]=4 11820 B12R1.100 Cc1cc(cc(c1)OCCO)Br 7a_100011999630_100000211926 [0,2,0,0,0,0|1,0,1]=4 11821 B12R1.100 Cc1cc(cc(c1)OCCO)C 34a_100000210933_100000211926 [0,2,0,0,0,0|1,0,1]=4 11822 B12R1.100 Cc1cc(cc(c1)OCCO)C 7a_100000210933_100000211926 [0,2,0,0,0,0|1,0,1]=4 11823 B12R1.100 Cc1cc(cc(c1)OCCO)Cl 34a_100000087485_100000211926 [0,2,0,0,0,0|1,0,1]=4 11824 B12R1.100 Cc1cc(cc(c1)OCCO)Cl 7a_100000087485_100000211926 [0,2,0,0,0,0|1,0,1]=4 11825 B12R1.100 Cc1cc(cc(c1)OCCO)F 34a_100011830401_100000211926 [0,2,0,0,0,0|1,0,1]=4 11826 B12R1.100 Cc1cc(cc(c1)OCCO)F 7a_100011830401_100000211926 [0,2,0,0,0,0|1,0,1]=4 11827 B12R1.100 Cc1cc(cc(c1)OCCO)N 34a_100011995906_100000211926 [0,2,0,0,0,0|1,0,1]=4 11828 B12R1.100 Cc1cc(cc(c1)OCCO)N 7a_100011995906_100000211926 [0,2,0,0,0,0|1,0,1]=4 11829 B12R1.100 Cc1cc(cc(c1)SCC=O)C 62a_100011215608_200015260668 [0,2,0,0,0,0|1,1,0]=4 11830 B12R1.100 Cc1cc(cc(c1)SCC=O)C 62a_200015260668_100011215608 [0,2,0,0,0,0|1,1,0]=4 11831 B12R1.100 Cc1cc(cc(c1)SCC=O)Cl 62a_100010172791_200015260668 [0,2,0,0,0,0|1,1,0]=4 11832 B12R1.100 Cc1cc(cc(c1)SCC=O)Cl 62a_200015260668_100010172791 [0,2,0,0,0,0|1,1,0]=4 11833 B12R1.100 Cc1cc(cc(c1)SCC=O)F 62a_100011356977_200015260668 [0,2,0,0,0,0|1,1,0]=4 11834 B12R1.100 Cc1cc(cc(c1)SCC=O)F 62a_200015260668_100011356977 [0,2,0,0,0,0|1,1,0]=4 11835 B12R1.100 Cc1cc(cc(c1)SCC=O)N 62a_100000695972_200015260668 [0,2,0,0,0,0|1,1,0]=4 11836 B12R1.100 Cc1cc(cc(c1)SCC=O)N 62a_200015260668_100000695972 [0,2,0,0,0,0|1,1,0]=4 11837 B12R1.100 Cc1cc(cc(c1)SCC=O)O 62a_200015260668_100011999630 [0,2,0,0,0,0|1,1,0]=4 11838 B12R1.100 FCCOc1cc(cc(c1)Br)Br 34a_100010167048_100011217306 [0,2,0,0,0,0|1,0,1]=4 11839 B12R1.100 FCCOc1cc(cc(c1)Br)Br 7a_100010167048_100011217306 [0,2,0,0,0,0|1,0,1]=4 11840 B12R1.100 FCCOc1cc(cc(c1)Br)Cl 34a_100010185897_100011217306 [0,2,0,0,0,0|1,0,1]=4 11841 B12R1.100 FCCOc1cc(cc(c1)Br)Cl 7a_100010185897_100011217306 [0,2,0,0,0,0|1,0,1]=4 11842 B12R1.100 FCCOc1cc(cc(c1)Br)F 34a_100000688818_100011217306 [0,2,0,0,0,0|1,0,1]=4 11843 B12R1.100 FCCOc1cc(cc(c1)Br)F 7a_100000688818_100011217306 [0,2,0,0,0,0|1,0,1]=4 11844 B12R1.100 FCCOc1cc(cc(c1)Cl)Cl 34a_100000181315_100011217306 [0,2,0,0,0,0|1,0,1]=4 11845 B12R1.100 FCCOc1cc(cc(c1)Cl)Cl 7a_100000181315_100011217306 [0,2,0,0,0,0|1,0,1]=4 11846 B12R1.100 FCCOc1cc(cc(c1)Cl)F 34a_100011219751_100011217306 [0,2,0,0,0,0|1,0,1]=4 11847 B12R1.100 FCCOc1cc(cc(c1)Cl)F 7a_100011219751_100011217306 [0,2,0,0,0,0|1,0,1]=4 11848 B12R1.100 FCCOc1cc(cc(c1)F)F 34a_100000747503_100011217306 [0,2,0,0,0,0|1,0,1]=4 11849 B12R1.100 FCCOc1cc(cc(c1)F)F 7a_100000747503_100011217306 [0,2,0,0,0,0|1,0,1]=4 11850 B12R1.100 FCCOc1cc(cc(c1)I)Br 34a_100010068917_100011217306 [0,2,0,0,0,0|1,0,1]=4 11851 B12R1.100 FCCOc1cc(cc(c1)I)Br 7a_100010068917_100011217306 [0,2,0,0,0,0|1,0,1]=4 11852 B12R1.100 FCCOc1cc(cc(c1)I)Cl 34a_100010068924_100011217306 [0,2,0,0,0,0|1,0,1]=4 11853 B12R1.100 FCCOc1cc(cc(c1)I)Cl 7a_100010068924_100011217306 [0,2,0,0,0,0|1,0,1]=4 11854 B12R1.100 FCCOc1cc(cc(c1)I)F 34a_100000717995_100011217306 [0,2,0,0,0,0|1,0,1]=4 11855 B12R1.100 FCCOc1cc(cc(c1)I)F 7a_100000717995_100011217306 [0,2,0,0,0,0|1,0,1]=4 11856 B12R1.100 N#CCOc1cc(cc(c1)Br)Br 7a_100010167048_100011215382 [0,2,0,0,0,0|1,0,1]=4 11857 B12R1.100 N#CCOc1cc(cc(c1)Br)Cl 7a_100010185897_100011215382 [0,2,0,0,0,0|1,0,1]=4 11858 B12R1.100 N#CCOc1cc(cc(c1)Br)F 7a_100000688818_100011215382 [0,2,0,0,0,0|1,0,1]=4 11859 B12R1.100 N#CCOc1cc(cc(c1)Cl)Cl 7a_100000181315_100011215382 [0,2,0,0,0,0|1,0,1]=4 11860 B12R1.100 N#CCOc1cc(cc(c1)Cl)F 7a_100011219751_100011215382 [0,2,0,0,0,0|1,0,1]=4 11861 B12R1.100 N#CCOc1cc(cc(c1)Cl)N 7a_100000123917_100011215382 [0,2,0,0,0,0|1,0,1]=4 11862 B12R1.100 N#CCOc1cc(cc(c1)F)F 7a_100000747503_100011215382 [0,2,0,0,0,0|1,0,1]=4 11863 B12R1.100 N#CCOc1cc(cc(c1)I)Br 7a_100010068917_100011215382 [0,2,0,0,0,0|1,0,1]=4 11864 B12R1.100 N#CCOc1cc(cc(c1)I)Cl 7a_100010068924_100011215382 [0,2,0,0,0,0|1,0,1]=4 11865 B12R1.100 N#CCOc1cc(cc(c1)I)F 7a_100000717995_100011215382 [0,2,0,0,0,0|1,0,1]=4 11866 B12R1.100 Nc1cc(cc(c1)OCC=O)Cl 34a_100000123917_200009817547 [0,2,0,0,0,0|1,0,0]=3 11867 B12R1.100 Nc1cc(cc(c1)OCC=O)Cl 7a_100000123917_200015260668 [0,2,0,0,0,0|1,0,0]=3 11868 B12R1.100 Nc1cc(cc(c1)OCCF)Cl 34a_100000123917_100011217306 [0,2,0,0,0,0|1,0,1]=4 11869 B12R1.100 Nc1cc(cc(c1)OCCF)Cl 7a_100000123917_100011217306 [0,2,0,0,0,0|1,0,1]=4 11870 B12R1.100 Nc1cc(cc(c1)OCCO)Cl 34a_100000123917_100000211926 [0,2,0,0,0,0|1,0,1]=4 11871 B12R1.100 Nc1cc(cc(c1)OCCO)Cl 7a_100000123917_100000211926 [0,2,0,0,0,0|1,0,1]=4 11872 B12R1.100 Nc1cc(cc(c1)SCC=O)Br 62a_100009814763_200015260668 [0,2,0,0,0,0|1,1,0]=4 11873 B12R1.100 Nc1cc(cc(c1)SCC=O)Br 62a_200015260668_100009814763 [0,2,0,0,0,0|1,1,0]=4 11874 B12R1.100 Nc1cc(cc(c1)SCC=O)Cl 62a_100010147676_200015260668 [0,2,0,0,0,0|1,1,0]=4 11875 B12R1.100 Nc1cc(cc(c1)SCC=O)Cl 62a_200015260668_100010147676 [0,2,0,0,0,0|1,1,0]=4 11876 B12R1.100 Nc1cc(cc(c1)SCC=O)F 62a_100011356972_200015260668 [0,2,0,0,0,0|1,1,0]=4 11877 B12R1.100 Nc1cc(cc(c1)SCC=O)F 62a_200015260668_100011356972 [0,2,0,0,0,0|1,1,0]=4 11878 B12R1.100 Nc1cc(cc(c1)SCC=O)N 62a_100011999608_200015260668 [0,2,0,0,0,0|1,1,0]=4 11879 B12R1.100 Nc1cc(cc(c1)SCC=O)N 62a_200015260668_100011999608 [0,2,0,0,0,0|1,1,0]=4 11880 B12R1.100 O=CCNc1cc(cc(c1)Br)Br 34a_100012047176_200009817547 [0,2,0,0,0,0|2,0,0]=4 11881 B12R1.100 O=CCNc1cc(cc(c1)Br)Br 7a_100012047176_200015260668 [0,2,0,0,0,0|2,0,0]=4 11882 B12R1.100 O=CCNc1cc(cc(c1)Br)Cl 34a_100011934539_200009817547 [0,2,0,0,0,0|2,0,0]=4 11883 B12R1.100 O=CCNc1cc(cc(c1)Br)Cl 7a_100011934539_200015260668 [0,2,0,0,0,0|2,0,0]=4 11884 B12R1.100 O=CCNc1cc(cc(c1)Br)F 34a_100000705686_200009817547 [0,2,0,0,0,0|2,0,0]=4 11885 B12R1.100 O=CCNc1cc(cc(c1)Br)F 7a_100000705686_200015260668 [0,2,0,0,0,0|2,0,0]=4 11886 B12R1.100 O=CCNc1cc(cc(c1)Cl)Cl 34a_100000210456_200009817547 [0,2,0,0,0,0|2,0,0]=4 11887 B12R1.100 O=CCNc1cc(cc(c1)Cl)Cl 7a_100000210456_200015260668 [0,2,0,0,0,0|2,0,0]=4 11888 B12R1.100 O=CCNc1cc(cc(c1)Cl)F 34a_100000686136_200009817547 [0,2,0,0,0,0|2,0,0]=4 11889 B12R1.100 O=CCNc1cc(cc(c1)Cl)F 7a_100000686136_200015260668 [0,2,0,0,0,0|2,0,0]=4 11890 B12R1.100 O=CCNc1cc(cc(c1)Cl)O 34a_100000123917_200009817547 [0,2,0,0,0,0|2,0,0]=4 11891 B12R1.100 O=CCNc1cc(cc(c1)Cl)O 7a_100000123917_200015260668 [0,2,0,0,0,0|2,0,0]=4 11892 B12R1.100 O=CCNc1cc(cc(c1)F)F 34a_100000233717_200009817547 [0,2,0,0,0,0|2,0,0]=4 11893 B12R1.100 O=CCNc1cc(cc(c1)F)F 7a_100000233717_200015260668 [0,2,0,0,0,0|2,0,0]=4 11894 B12R1.100 O=CCNc1cc(cc(c1)I)Br 7a_100009814763_200015260668 [0,2,0,0,0,0|2,0,0]=4 11895 B12R1.100 O=CCNc1cc(cc(c1)I)Cl 7a_100010147676_200015260668 [0,2,0,0,0,0|2,0,0]=4 11896 B12R1.100 O=CCNc1cc(cc(c1)I)F 34a_100011356972_200009817547 [0,2,0,0,0,0|2,0,0]=4 11897 B12R1.100 O=CCNc1cc(cc(c1)I)F 7a_100011356972_200015260668 [0,2,0,0,0,0|2,0,0]=4 11898 B12R1.100 O=CCNc1cc(cc(c1)I)I 7a_200000696836_200015260668 [0,2,0,0,0,0|2,0,0]=4 11899 B12R1.100 O=CCNc1cc(cc(c1)O)O 34a_100000043371_200009817547 [0,2,0,0,0,0|2,0,0]=4 11900 B12R1.100 O=CCOc1cc(cc(c1)Br)Br 34a_100010167048_200009817547 [0,2,0,0,0,0|1,0,0]=3 11901 B12R1.100 O=CCOc1cc(cc(c1)Br)Br 7a_100010167048_200015260668 [0,2,0,0,0,0|1,0,0]=3 11902 B12R1.100 O=CCOc1cc(cc(c1)Br)Cl 34a_100010185897_200009817547 [0,2,0,0,0,0|1,0,0]=3 11903 B12R1.100 O=CCOc1cc(cc(c1)Br)Cl 7a_100010185897_200015260668 [0,2,0,0,0,0|1,0,0]=3 11904 B12R1.100 O=CCOc1cc(cc(c1)Br)F 34a_100000688818_200009817547 [0,2,0,0,0,0|1,0,0]=3 11905 B12R1.100 O=CCOc1cc(cc(c1)Br)F 7a_100000688818_200015260668 [0,2,0,0,0,0|1,0,0]=3 11906 B12R1.100 O=CCOc1cc(cc(c1)Cl)Cl 34a_100000181315_200009817547 [0,2,0,0,0,0|1,0,0]=3 11907 B12R1.100 O=CCOc1cc(cc(c1)Cl)Cl 7a_100000181315_200015260668 [0,2,0,0,0,0|1,0,0]=3 11908 B12R1.100 O=CCOc1cc(cc(c1)Cl)F 34a_100011219751_200009817547 [0,2,0,0,0,0|1,0,0]=3 11909 B12R1.100 O=CCOc1cc(cc(c1)Cl)F 7a_100011219751_200015260668 [0,2,0,0,0,0|1,0,0]=3 11910 B12R1.100 O=CCOc1cc(cc(c1)F)F 34a_100000747503_200009817547 [0,2,0,0,0,0|1,0,0]=3 11911 B12R1.100 O=CCOc1cc(cc(c1)F)F 7a_100000747503_200015260668 [0,2,0,0,0,0|1,0,0]=3 11912 B12R1.100 O=CCOc1cc(cc(c1)I)Br 34a_100010068917_200009817547 [0,2,0,0,0,0|1,0,0]=3 11913 B12R1.100 O=CCOc1cc(cc(c1)I)Br 7a_100010068917_200015260668 [0,2,0,0,0,0|1,0,0]=3 11914 B12R1.100 O=CCOc1cc(cc(c1)I)Cl 34a_100010068924_200009817547 [0,2,0,0,0,0|1,0,0]=3 11915 B12R1.100 O=CCOc1cc(cc(c1)I)Cl 7a_100010068924_200015260668 [0,2,0,0,0,0|1,0,0]=3 11916 B12R1.100 O=CCOc1cc(cc(c1)I)F 34a_100000717995_200009817547 [0,2,0,0,0,0|1,0,0]=3 11917 B12R1.100 O=CCOc1cc(cc(c1)I)F 7a_100000717995_200015260668 [0,2,0,0,0,0|1,0,0]=3 11918 B12R1.100 O=CCOc1cc(nc(c1)Br)Br 34a_100010172823_200009817547 [0,2,0,0,0,0|2,0,0]=4 11919 B12R1.100 O=CCOc1cc(nc(c1)Br)Br 7a_100010172823_200015260668 [0,2,0,0,0,0|2,0,0]=4 11920 B12R1.100 O=CCSc1cc(cc(c1)Br)Br 62a_100009814770_200015260668 [0,2,0,0,0,0|1,1,0]=4 11921 B12R1.100 O=CCSc1cc(cc(c1)Br)Br 62a_200015260668_100009814770 [0,2,0,0,0,0|1,1,0]=4 11922 B12R1.100 O=CCSc1cc(cc(c1)Br)Cl 62a_100009814755_200015260668 [0,2,0,0,0,0|1,1,0]=4 11923 B12R1.100 O=CCSc1cc(cc(c1)Br)Cl 62a_200015260668_100009814755 [0,2,0,0,0,0|1,1,0]=4 11924 B12R1.100 O=CCSc1cc(cc(c1)Br)F 62a_100009814764_200015260668 [0,2,0,0,0,0|1,1,0]=4 11925 B12R1.100 O=CCSc1cc(cc(c1)Br)F 62a_200015260668_100009814764 [0,2,0,0,0,0|1,1,0]=4 11926 B12R1.100 O=CCSc1cc(cc(c1)Br)O 62a_100010068917_200015260668 [0,2,0,0,0,0|1,1,0]=4 11927 B12R1.100 O=CCSc1cc(cc(c1)Br)O 62a_200015260668_100010068917 [0,2,0,0,0,0|1,1,0]=4 11928 B12R1.100 O=CCSc1cc(cc(c1)Cl)Cl 62a_100000747138_200015260668 [0,2,0,0,0,0|1,1,0]=4 11929 B12R1.100 O=CCSc1cc(cc(c1)Cl)Cl 62a_200015260668_100000747138 [0,2,0,0,0,0|1,1,0]=4 11930 B12R1.100 O=CCSc1cc(cc(c1)Cl)F 62a_100013859453_200015260668 [0,2,0,0,0,0|1,1,0]=4 11931 B12R1.100 O=CCSc1cc(cc(c1)Cl)F 62a_200015260668_100013859453 [0,2,0,0,0,0|1,1,0]=4 11932 B12R1.100 O=CCSc1cc(cc(c1)Cl)O 62a_100010068924_200015260668 [0,2,0,0,0,0|1,1,0]=4 11933 B12R1.100 O=CCSc1cc(cc(c1)Cl)O 62a_200015260668_100010068924 [0,2,0,0,0,0|1,1,0]=4 11934 B12R1.100 O=CCSc1cc(cc(c1)F)F 62a_100000233788_200015260668 [0,2,0,0,0,0|1,1,0]=4 11935 B12R1.100 O=CCSc1cc(cc(c1)F)F 62a_200015260668_100000233788 [0,2,0,0,0,0|1,1,0]=4 11936 B12R1.100 O=CCSc1cc(cc(c1)F)O 62a_100000688818_200015260668 [0,2,0,0,0,0|1,1,0]=4 11937 B12R1.100 O=CCSc1cc(cc(c1)F)O 62a_200015260668_100000688818 [0,2,0,0,0,0|1,1,0]=4 11938 B12R1.100 O=CCSc1cc(cc(c1)O)O 62a_200015260668_100009868816 [0,2,0,0,0,0|1,1,0]=4 11939 B12R1.100 OCCOc1cc(cc(c1)Br)Br 34a_100010167048_100000211926 [0,2,0,0,0,0|1,0,1]=4 11940 B12R1.100 OCCOc1cc(cc(c1)Br)Br 7a_100010167048_100000211926 [0,2,0,0,0,0|1,0,1]=4 11941 B12R1.100 OCCOc1cc(cc(c1)Br)Cl 34a_100010185897_100000211926 [0,2,0,0,0,0|1,0,1]=4 11942 B12R1.100 OCCOc1cc(cc(c1)Br)Cl 7a_100010185897_100000211926 [0,2,0,0,0,0|1,0,1]=4 11943 B12R1.100 OCCOc1cc(cc(c1)Br)F 34a_100000688818_100000211926 [0,2,0,0,0,0|1,0,1]=4 11944 B12R1.100 OCCOc1cc(cc(c1)Br)F 7a_100000688818_100000211926 [0,2,0,0,0,0|1,0,1]=4 11945 B12R1.100 OCCOc1cc(cc(c1)Cl)Cl 34a_100000181315_100000211926 [0,2,0,0,0,0|1,0,1]=4 11946 B12R1.100 OCCOc1cc(cc(c1)Cl)Cl 7a_100000181315_100000211926 [0,2,0,0,0,0|1,0,1]=4 11947 B12R1.100 OCCOc1cc(cc(c1)Cl)F 34a_100011219751_100000211926 [0,2,0,0,0,0|1,0,1]=4 11948 B12R1.100 OCCOc1cc(cc(c1)Cl)F 7a_100011219751_100000211926 [0,2,0,0,0,0|1,0,1]=4 11949 B12R1.100 OCCOc1cc(cc(c1)F)F 34a_100000747503_100000211926 [0,2,0,0,0,0|1,0,1]=4 11950 B12R1.100 OCCOc1cc(cc(c1)F)F 7a_100000747503_100000211926 [0,2,0,0,0,0|1,0,1]=4 11951 B12R1.100 OCCOc1cc(cc(c1)I)Br 34a_100010068917_100000211926 [0,2,0,0,0,0|1,0,1]=4 11952 B12R1.100 OCCOc1cc(cc(c1)I)Br 7a_100010068917_100000211926 [0,2,0,0,0,0|1,0,1]=4 11953 B12R1.100 OCCOc1cc(cc(c1)I)Cl 34a_100010068924_100000211926 [0,2,0,0,0,0|1,0,1]=4 11954 B12R1.100 OCCOc1cc(cc(c1)I)Cl 7a_100010068924_100000211926 [0,2,0,0,0,0|1,0,1]=4 11955 B12R1.100 OCCOc1cc(cc(c1)I)F 34a_100000717995_100000211926 [0,2,0,0,0,0|1,0,1]=4 11956 B12R1.100 OCCOc1cc(cc(c1)I)F 7a_100000717995_100000211926 [0,2,0,0,0,0|1,0,1]=4 11957 B12R1.226 C=C(C)CNc1cc(ccn1)F 27a_100000765925_100000764206 [0,2,0,0,0,0|2,0,0]=4 11958 B12R1.226 C=C(C)CNc1cc[nH]c(=O)c1 27a_100000765925_100000061649 [0,2,0,0,0,0|2,0,0]=4 11959 B12R1.226 C=C(C)CNc1cccc(c1)Br 34a_100000210019_100000748629 [0,2,0,0,0,0|1,0,0]=3 11960 B12R1.226 C=C(C)CNc1cccc(c1)C 2230a_100000188690_100000748629 [0,2,0,0,0,0|1,0,0]=3 11961 B12R1.226 C=C(C)CNc1cccc(c1)C 34a_100000188690_100000748629 [0,2,0,0,0,0|1,0,0]=3 11962 B12R1.226 C=C(C)CNc1cccc(c1)Cl 34a_100000185859_100000748629 [0,2,0,0,0,0|1,0,0]=3 11963 B12R1.226 C=C(C)CNc1cccc(c1)F 34a_100000210047_100000748629 [0,2,0,0,0,0|1,0,0]=3 11964 B12R1.226 C=C(C)CNc1cccc(c1)I 34a_100000211102_100000748629 [0,2,0,0,0,0|1,0,0]=3 11965 B12R1.226 C=C(C)CNc1cccc(c1)O 34a_100000210217_100000748629 [0,2,0,0,0,0|1,0,0]=3 11966 B12R1.226 C=C(C)CNc1cccc(n1)F 27a_100000765925_100009815982 [0,2,0,0,0,0|2,0,0]=4 11967 B12R1.226 C=C(C)CNc1ccnc(c1)C 27a_100000765925_100000758586 [0,2,0,0,0,0|2,0,0]=4 11968 B12R1.226 C=C(C)CNc1ccnc(c1)F 27a_100000765925_100009816116 [0,2,0,0,0,0|2,0,0]=4 11969 B12R1.226 C=C(C)COc1cc(cnn1)C 34a_100000766097_100000748629 [0,2,0,0,0,0|2,0,0]=4 11970 B12R1.226 C=C(C)COc1cc[nH]c(=O)c1 34a_100000032262_100000748629 [0,2,0,0,0,0|1,0,0]=3 11971 B12R1.226 C=C(C)COc1ccc[n+](c1)[O-] 34a_100000039713_100000748629 [0,2,0,0,0,0|1,0,0]=3 11972 B12R1.226 C=C(C)COc1ccc[n+](c1)[O-] 7a_100000039713_100000748629 [0,2,0,0,0,0|1,0,0]=3 11973 B12R1.226 C=C(C)COc1cccc(=O)[nH]1 34a_100000033347_100000748629 [0,2,0,0,0,0|1,0,0]=3 11974 B12R1.226 C=C(C)COc1cccc(c1)Br 34a_100000210342_100000748629 [0,2,0,0,0,0|0,0,0]=2 11975 B12R1.226 C=C(C)COc1cccc(c1)Br 7a_100000210342_100000748629 [0,2,0,0,0,0|0,0,0]=2 11976 B12R1.226 C=C(C)COc1cccc(c1)C 34a_100000210337_100000748629 [0,2,0,0,0,0|0,0,0]=2 11977 B12R1.226 C=C(C)COc1cccc(c1)C 7a_100000210337_100000748629 [0,2,0,0,0,0|0,0,0]=2 11978 B12R1.226 C=C(C)COc1cccc(c1)Cl 34a_100000210295_100000748629 [0,2,0,0,0,0|0,0,0]=2 11979 B12R1.226 C=C(C)COc1cccc(c1)Cl 7a_100000210295_100000748629 [0,2,0,0,0,0|0,0,0]=2 11980 B12R1.226 C=C(C)COc1cccc(c1)F 34a_100000210426_100000748629 [0,2,0,0,0,0|0,0,0]=2 11981 B12R1.226 C=C(C)COc1cccc(c1)F 7a_100000210426_100000748629 [0,2,0,0,0,0|0,0,0]=2 11982 B12R1.226 C=C(C)COc1cccc(c1)I 34a_100000211634_100000748629 [0,2,0,0,0,0|0,0,0]=2 11983 B12R1.226 C=C(C)COc1cccc(c1)I 7a_100000211634_100000748629 [0,2,0,0,0,0|0,0,0]=2 11984 B12R1.226 C=C(C)COc1cccc(c1)N 34a_100000210217_100000748629 [0,2,0,0,0,0|0,0,0]=2 11985 B12R1.226 C=C(C)COc1cccc(n1)F 34a_100011432558_100000748629 [0,2,0,0,0,0|1,0,0]=3 11986 B12R1.226 C=C(C)COc1ccnc(c1)C 34a_100000688365_100000748629 [0,2,0,0,0,0|1,0,0]=3 11987 B12R1.226 C=C(C)COc1ccnc(c1)Cl 34a_100000762945_100000748629 [0,2,0,0,0,0|1,0,0]=3 11988 B12R1.226 C=C(C)COc1ccnc(c1)F 34a_100000732698_100000748629 [0,2,0,0,0,0|1,0,0]=3 11989 B12R1.226 C=C(C)COc1ccnc(c1)N 34a_100011834064_100000748629 [0,2,0,0,0,0|1,0,0]=3 11990 B12R1.226 C=C(C)COc1cncc(c1)Br 34a_100000754920_100000748629 [0,2,0,0,0,0|1,0,0]=3 11991 B12R1.226 C=C(C)COc1cncc(c1)Br 7a_100000754920_100000748629 [0,2,0,0,0,0|1,0,0]=3 11992 B12R1.226 C=C(C)COc1cncc(c1)C 34a_100011830280_100000748629 [0,2,0,0,0,0|1,0,0]=3 11993 B12R1.226 C=C(C)COc1cncc(c1)C 7a_100011830280_100000748629 [0,2,0,0,0,0|1,0,0]=3 11994 B12R1.226 C=C(C)COc1cncc(c1)Cl 7a_100000032511_100000748629 [0,2,0,0,0,0|1,0,0]=3 11995 B12R1.226 C=C(C)COc1cncc(c1)F 34a_100011830296_100000748629 [0,2,0,0,0,0|1,0,0]=3 11996 B12R1.226 C=C(C)COc1cncc(c1)F 7a_100011830296_100000748629 [0,2,0,0,0,0|1,0,0]=3 11997 B12R1.226 C=C(C)COc1cncc(c1)N 34a_100011997051_100000748629 [0,2,0,0,0,0|1,0,0]=3 11998 B12R1.226 C=C(C)COc1cnnc(c1)Cl 34a_200010734679_100000748629 [0,2,0,0,0,0|2,0,0]=4 11999 B12R1.226 C=C(C)COc1cnnc(c1)N 34a_200015193112_100000748629 [0,2,0,0,0,0|2,0,0]=4 12000 B12R1.226 C=C(C)CSc1cc(=O)cc[nH]1 62a_100009817434_100000211660 [0,2,0,0,0,0|1,1,0]=4 12001 B12R1.226 C=C(C)CSc1cc(ccn1)C 62a_100000748629_100000750283 [0,2,0,0,0,0|1,1,0]=4 12002 B12R1.226 C=C(C)CSc1cc(ccn1)C 62a_100000750283_100000211660 [0,2,0,0,0,0|1,1,0]=4 12003 B12R1.226 C=C(C)CSc1cc(ccn1)Cl 62a_100000748629_100010167805 [0,2,0,0,0,0|1,1,0]=4 12004 B12R1.226 C=C(C)CSc1cc(ccn1)Cl 62a_100010167805_100000211660 [0,2,0,0,0,0|1,1,0]=4 12005 B12R1.226 C=C(C)CSc1cc(ccn1)F 62a_100000748629_100000764206 [0,2,0,0,0,0|1,1,0]=4 12006 B12R1.226 C=C(C)CSc1cc(ccn1)F 62a_100000764206_100000211660 [0,2,0,0,0,0|1,1,0]=4 12007 B12R1.226 C=C(C)CSc1cc(ccn1)N 62a_100000748629_100009814236 [0,2,0,0,0,0|1,1,0]=4 12008 B12R1.226 C=C(C)CSc1cc(ccn1)N 62a_100009814236_100000211660 [0,2,0,0,0,0|1,1,0]=4 12009 B12R1.226 C=C(C)CSc1cc(ccn1)O 62a_100000748629_100000762945 [0,2,0,0,0,0|1,1,0]=4 12010 B12R1.226 C=C(C)CSc1cc[nH]c(=O)c1 62a_100000748629_100009816521 [0,2,0,0,0,0|1,1,0]=4 12011 B12R1.226 C=C(C)CSc1cc[nH]c(=O)c1 62a_100009816521_100000211660 [0,2,0,0,0,0|1,1,0]=4 12012 B12R1.226 C=C(C)CSc1ccc[n+](c1)C 62a_100000748629_100009996589 [0,2,0,0,0,0|1,1,0]=4 12013 B12R1.226 C=C(C)CSc1ccc[n+](c1)C 62a_100009996589_100000211660 [0,2,0,0,0,0|1,1,0]=4 12014 B12R1.226 C=C(C)CSc1ccc[n+](c1)[O-] 62a_100000748629_100009815978 [0,2,0,0,0,0|1,1,0]=4 12015 B12R1.226 C=C(C)CSc1cccc(=O)[nH]1 62a_100000748629_100000752884 [0,2,0,0,0,0|1,1,0]=4 12016 B12R1.226 C=C(C)CSc1cccc(c1)Br 62a_100000691529_100000211660 [0,2,0,0,0,0|0,1,0]=3 12017 B12R1.226 C=C(C)CSc1cccc(c1)Br 62a_100000748629_100000691529 [0,2,0,0,0,0|0,1,0]=3 12018 B12R1.226 C=C(C)CSc1cccc(c1)C 62a_100000748629_100011215228 [0,2,0,0,0,0|0,1,0]=3 12019 B12R1.226 C=C(C)CSc1cccc(c1)C 62a_100011215228_100000211660 [0,2,0,0,0,0|0,1,0]=3 12020 B12R1.226 C=C(C)CSc1cccc(c1)Cl 62a_100000699651_100000211660 [0,2,0,0,0,0|0,1,0]=3 12021 B12R1.226 C=C(C)CSc1cccc(c1)Cl 62a_100000748629_100000699651 [0,2,0,0,0,0|0,1,0]=3 12022 B12R1.226 C=C(C)CSc1cccc(c1)F 62a_100000685547_100000211660 [0,2,0,0,0,0|0,1,0]=3 12023 B12R1.226 C=C(C)CSc1cccc(c1)F 62a_100000748629_100000685547 [0,2,0,0,0,0|0,1,0]=3 12024 B12R1.226 C=C(C)CSc1cccc(c1)N 62a_100000210019_100000211660 [0,2,0,0,0,0|0,1,0]=3 12025 B12R1.226 C=C(C)CSc1cccc(c1)N 62a_100000748629_100000210019 [0,2,0,0,0,0|0,1,0]=3 12026 B12R1.226 C=C(C)CSc1cccc(c1)O 62a_100000748629_100000211634 [0,2,0,0,0,0|0,1,0]=3 12027 B12R1.226 C=C(C)CSc1cccc(c1)[S] 62a_100000748629_114929384022 [0,2,0,0,0,0|0,1,0]=3 12028 B12R1.226 C=C(C)CSc1cccc(c1)[S] 62a_114929384022_100000211660 [0,2,0,0,0,0|0,1,0]=3 12029 B12R1.226 C=C(C)CSc1cccc(n1)Br 62a_100000684672_100000211660 [0,2,0,0,0,0|1,1,0]=4 12030 B12R1.226 C=C(C)CSc1cccc(n1)Br 62a_100000748629_100000684672 [0,2,0,0,0,0|1,1,0]=4 12031 B12R1.226 C=C(C)CSc1cccc(n1)C 62a_100000742759_100000211660 [0,2,0,0,0,0|1,1,0]=4 12032 B12R1.226 C=C(C)CSc1cccc(n1)C 62a_100000748629_100000742759 [0,2,0,0,0,0|1,1,0]=4 12033 B12R1.226 C=C(C)CSc1cccc(n1)Cl 62a_100000051397_100000211660 [0,2,0,0,0,0|1,1,0]=4 12034 B12R1.226 C=C(C)CSc1cccc(n1)Cl 62a_100000748629_100000051397 [0,2,0,0,0,0|1,1,0]=4 12035 B12R1.226 C=C(C)CSc1cccc(n1)F 62a_100000748629_100009815982 [0,2,0,0,0,0|1,1,0]=4 12036 B12R1.226 C=C(C)CSc1cccc(n1)F 62a_100009815982_100000211660 [0,2,0,0,0,0|1,1,0]=4 12037 B12R1.226 C=C(C)CSc1cccc(n1)N 62a_100000740741_100000211660 [0,2,0,0,0,0|1,1,0]=4 12038 B12R1.226 C=C(C)CSc1cccc(n1)N 62a_100000748629_100000740741 [0,2,0,0,0,0|1,1,0]=4 12039 B12R1.226 C=C(C)CSc1ccnc(c1)Br 62a_100000748629_100009814637 [0,2,0,0,0,0|1,1,0]=4 12040 B12R1.226 C=C(C)CSc1ccnc(c1)Br 62a_100009814637_100000211660 [0,2,0,0,0,0|1,1,0]=4 12041 B12R1.226 C=C(C)CSc1ccnc(c1)C 62a_100000748629_100000758586 [0,2,0,0,0,0|1,1,0]=4 12042 B12R1.226 C=C(C)CSc1ccnc(c1)C 62a_100000758586_100000211660 [0,2,0,0,0,0|1,1,0]=4 12043 B12R1.226 C=C(C)CSc1ccnc(c1)Cl 62a_100000035001_100000211660 [0,2,0,0,0,0|1,1,0]=4 12044 B12R1.226 C=C(C)CSc1ccnc(c1)Cl 62a_100000748629_100000035001 [0,2,0,0,0,0|1,1,0]=4 12045 B12R1.226 C=C(C)CSc1ccnc(c1)F 62a_100000748629_100009816116 [0,2,0,0,0,0|1,1,0]=4 12046 B12R1.226 C=C(C)CSc1ccnc(c1)F 62a_100009816116_100000211660 [0,2,0,0,0,0|1,1,0]=4 12047 B12R1.226 C=C(C)CSc1ccnc(c1)N 62a_100000049665_100000211660 [0,2,0,0,0,0|1,1,0]=4 12048 B12R1.226 C=C(C)CSc1ccnc(c1)N 62a_100000748629_100000049665 [0,2,0,0,0,0|1,1,0]=4 12049 B12R1.226 C=C(C)CSc1cncc(c1)Br 62a_100000728054_100000211660 [0,2,0,0,0,0|1,1,0]=4 12050 B12R1.226 C=C(C)CSc1cncc(c1)Br 62a_100000748629_100000728054 [0,2,0,0,0,0|1,1,0]=4 12051 B12R1.226 C=C(C)CSc1cncc(c1)C 62a_100000748629_100000760492 [0,2,0,0,0,0|1,1,0]=4 12052 B12R1.226 C=C(C)CSc1cncc(c1)C 62a_100000760492_100000211660 [0,2,0,0,0,0|1,1,0]=4 12053 B12R1.226 C=C(C)CSc1cncc(c1)Cl 62a_100000049639_100000211660 [0,2,0,0,0,0|1,1,0]=4 12054 B12R1.226 C=C(C)CSc1cncc(c1)Cl 62a_100000748629_100000049639 [0,2,0,0,0,0|1,1,0]=4 12055 B12R1.226 C=C(C)CSc1cncc(c1)F 62a_100000744099_100000211660 [0,2,0,0,0,0|1,1,0]=4 12056 B12R1.226 C=C(C)CSc1cncc(c1)F 62a_100000748629_100000744099 [0,2,0,0,0,0|1,1,0]=4 12057 B12R1.226 C=C(C)CSc1cncc(c1)N 62a_100000687067_100000211660 [0,2,0,0,0,0|1,1,0]=4 12058 B12R1.226 C=C(C)CSc1cncc(c1)N 62a_100000748629_100000687067 [0,2,0,0,0,0|1,1,0]=4 12059 B12R1.226 C=C(C)CSc1cncc(c1)O 62a_100000748629_100000754920 [0,2,0,0,0,0|1,1,0]=4 12060 B12R1.226 C=C(C)CSc1cncc(c1)O 62a_100000754920_100000211660 [0,2,0,0,0,0|1,1,0]=4 12061 B12R1.226 C=C(F)CNc1cccc(c1)Br 34a_100000210019_100009893438 [0,2,0,0,0,0|1,0,0]=3 12062 B12R1.226 C=C(F)CNc1cccc(c1)C 2230a_100000188690_100009893438 [0,2,0,0,0,0|1,0,0]=3 12063 B12R1.226 C=C(F)CNc1cccc(c1)C 34a_100000188690_100009893438 [0,2,0,0,0,0|1,0,0]=3 12064 B12R1.226 C=C(F)CNc1cccc(c1)Cl 34a_100000185859_100009893438 [0,2,0,0,0,0|1,0,0]=3 12065 B12R1.226 C=C(F)CNc1cccc(c1)F 34a_100000210047_100009893438 [0,2,0,0,0,0|1,0,0]=3 12066 B12R1.226 C=C(F)CNc1cccc(c1)I 34a_100000211102_100009893438 [0,2,0,0,0,0|1,0,0]=3 12067 B12R1.226 C=C(F)CNc1cccc(c1)O 34a_100000210217_100009893438 [0,2,0,0,0,0|1,0,0]=3 12068 B12R1.226 C=C(F)COc1cc(cnn1)C 34a_100000766097_100009893438 [0,2,0,0,0,0|2,0,0]=4 12069 B12R1.226 C=C(F)COc1cc[nH]c(=O)c1 34a_100000032262_100009893438 [0,2,0,0,0,0|1,0,0]=3 12070 B12R1.226 C=C(F)COc1ccc[n+](c1)[O-] 34a_100000039713_100009893438 [0,2,0,0,0,0|1,0,0]=3 12071 B12R1.226 C=C(F)COc1ccc[n+](c1)[O-] 7a_100000039713_100000042424 [0,2,0,0,0,0|1,0,0]=3 12072 B12R1.226 C=C(F)COc1cccc(=O)[nH]1 34a_100000033347_100009893438 [0,2,0,0,0,0|1,0,0]=3 12073 B12R1.226 C=C(F)COc1cccc(c1)Br 34a_100000210342_100009893438 [0,2,0,0,0,0|0,0,0]=2 12074 B12R1.226 C=C(F)COc1cccc(c1)Br 7a_100000210342_100000042424 [0,2,0,0,0,0|0,0,0]=2 12075 B12R1.226 C=C(F)COc1cccc(c1)C 34a_100000210337_100009893438 [0,2,0,0,0,0|0,0,0]=2 12076 B12R1.226 C=C(F)COc1cccc(c1)C 7a_100000210337_100000042424 [0,2,0,0,0,0|0,0,0]=2 12077 B12R1.226 C=C(F)COc1cccc(c1)Cl 34a_100000210295_100009893438 [0,2,0,0,0,0|0,0,0]=2 12078 B12R1.226 C=C(F)COc1cccc(c1)Cl 7a_100000210295_100000042424 [0,2,0,0,0,0|0,0,0]=2 12079 B12R1.226 C=C(F)COc1cccc(c1)F 34a_100000210426_100009893438 [0,2,0,0,0,0|0,0,0]=2 12080 B12R1.226 C=C(F)COc1cccc(c1)F 7a_100000210426_100000042424 [0,2,0,0,0,0|0,0,0]=2 12081 B12R1.226 C=C(F)COc1cccc(c1)I 34a_100000211634_100009893438 [0,2,0,0,0,0|0,0,0]=2 12082 B12R1.226 C=C(F)COc1cccc(c1)I 7a_100000211634_100000042424 [0,2,0,0,0,0|0,0,0]=2 12083 B12R1.226 C=C(F)COc1cccc(c1)N 34a_100000210217_100009893438 [0,2,0,0,0,0|0,0,0]=2 12084 B12R1.226 C=C(F)COc1cccc(n1)F 34a_100011432558_100009893438 [0,2,0,0,0,0|1,0,0]=3 12085 B12R1.226 C=C(F)COc1ccnc(c1)C 34a_100000688365_100009893438 [0,2,0,0,0,0|1,0,0]=3 12086 B12R1.226 C=C(F)COc1ccnc(c1)Cl 34a_100000762945_100009893438 [0,2,0,0,0,0|1,0,0]=3 12087 B12R1.226 C=C(F)COc1ccnc(c1)F 34a_100000732698_100009893438 [0,2,0,0,0,0|1,0,0]=3 12088 B12R1.226 C=C(F)COc1ccnc(c1)N 34a_100011834064_100009893438 [0,2,0,0,0,0|1,0,0]=3 12089 B12R1.226 C=C(F)COc1cncc(c1)Br 34a_100000754920_100009893438 [0,2,0,0,0,0|1,0,0]=3 12090 B12R1.226 C=C(F)COc1cncc(c1)Br 7a_100000754920_100000042424 [0,2,0,0,0,0|1,0,0]=3 12091 B12R1.226 C=C(F)COc1cncc(c1)C 34a_100011830280_100009893438 [0,2,0,0,0,0|1,0,0]=3 12092 B12R1.226 C=C(F)COc1cncc(c1)C 7a_100011830280_100000042424 [0,2,0,0,0,0|1,0,0]=3 12093 B12R1.226 C=C(F)COc1cncc(c1)Cl 7a_100000032511_100000042424 [0,2,0,0,0,0|1,0,0]=3 12094 B12R1.226 C=C(F)COc1cncc(c1)F 34a_100011830296_100009893438 [0,2,0,0,0,0|1,0,0]=3 12095 B12R1.226 C=C(F)COc1cncc(c1)F 7a_100011830296_100000042424 [0,2,0,0,0,0|1,0,0]=3 12096 B12R1.226 C=C(F)COc1cncc(c1)N 34a_100011997051_100009893438 [0,2,0,0,0,0|1,0,0]=3 12097 B12R1.226 C=C(F)COc1cnnc(c1)Cl 34a_200010734679_100009893438 [0,2,0,0,0,0|2,0,0]=4 12098 B12R1.226 C=C(F)COc1cnnc(c1)N 34a_200015193112_100009893438 [0,2,0,0,0,0|2,0,0]=4 12099 B12R1.226 C=C(F)CSc1cc(=O)cc[nH]1 62a_100009817434_100000042424 [0,2,0,0,0,0|1,1,0]=4 12100 B12R1.226 C=C(F)CSc1cc(ccn1)C 62a_100000042424_100000750283 [0,2,0,0,0,0|1,1,0]=4 12101 B12R1.226 C=C(F)CSc1cc(ccn1)C 62a_100000750283_100000042424 [0,2,0,0,0,0|1,1,0]=4 12102 B12R1.226 C=C(F)CSc1cc(ccn1)Cl 62a_100000042424_100010167805 [0,2,0,0,0,0|1,1,0]=4 12103 B12R1.226 C=C(F)CSc1cc(ccn1)Cl 62a_100010167805_100000042424 [0,2,0,0,0,0|1,1,0]=4 12104 B12R1.226 C=C(F)CSc1cc(ccn1)F 62a_100000042424_100000764206 [0,2,0,0,0,0|1,1,0]=4 12105 B12R1.226 C=C(F)CSc1cc(ccn1)F 62a_100000764206_100000042424 [0,2,0,0,0,0|1,1,0]=4 12106 B12R1.226 C=C(F)CSc1cc(ccn1)N 62a_100000042424_100009814236 [0,2,0,0,0,0|1,1,0]=4 12107 B12R1.226 C=C(F)CSc1cc(ccn1)N 62a_100009814236_100000042424 [0,2,0,0,0,0|1,1,0]=4 12108 B12R1.226 C=C(F)CSc1cc(ccn1)O 62a_100000042424_100000762945 [0,2,0,0,0,0|1,1,0]=4 12109 B12R1.226 C=C(F)CSc1cc[nH]c(=O)c1 62a_100000042424_100009816521 [0,2,0,0,0,0|1,1,0]=4 12110 B12R1.226 C=C(F)CSc1cc[nH]c(=O)c1 62a_100009816521_100000042424 [0,2,0,0,0,0|1,1,0]=4 12111 B12R1.226 C=C(F)CSc1ccc[n+](c1)C 62a_100000042424_100009996589 [0,2,0,0,0,0|1,1,0]=4 12112 B12R1.226 C=C(F)CSc1ccc[n+](c1)C 62a_100009996589_100000042424 [0,2,0,0,0,0|1,1,0]=4 12113 B12R1.226 C=C(F)CSc1ccc[n+](c1)[O-] 62a_100000042424_100009815978 [0,2,0,0,0,0|1,1,0]=4 12114 B12R1.226 C=C(F)CSc1cccc(=O)[nH]1 62a_100000042424_100000752884 [0,2,0,0,0,0|1,1,0]=4 12115 B12R1.226 C=C(F)CSc1cccc(c1)Br 62a_100000042424_100000691529 [0,2,0,0,0,0|0,1,0]=3 12116 B12R1.226 C=C(F)CSc1cccc(c1)Br 62a_100000691529_100000042424 [0,2,0,0,0,0|0,1,0]=3 12117 B12R1.226 C=C(F)CSc1cccc(c1)C 62a_100000042424_100011215228 [0,2,0,0,0,0|0,1,0]=3 12118 B12R1.226 C=C(F)CSc1cccc(c1)C 62a_100011215228_100000042424 [0,2,0,0,0,0|0,1,0]=3 12119 B12R1.226 C=C(F)CSc1cccc(c1)Cl 62a_100000042424_100000699651 [0,2,0,0,0,0|0,1,0]=3 12120 B12R1.226 C=C(F)CSc1cccc(c1)Cl 62a_100000699651_100000042424 [0,2,0,0,0,0|0,1,0]=3 12121 B12R1.226 C=C(F)CSc1cccc(c1)F 62a_100000042424_100000685547 [0,2,0,0,0,0|0,1,0]=3 12122 B12R1.226 C=C(F)CSc1cccc(c1)F 62a_100000685547_100000042424 [0,2,0,0,0,0|0,1,0]=3 12123 B12R1.226 C=C(F)CSc1cccc(c1)N 62a_100000042424_100000210019 [0,2,0,0,0,0|0,1,0]=3 12124 B12R1.226 C=C(F)CSc1cccc(c1)N 62a_100000210019_100000042424 [0,2,0,0,0,0|0,1,0]=3 12125 B12R1.226 C=C(F)CSc1cccc(c1)O 62a_100000042424_100000211634 [0,2,0,0,0,0|0,1,0]=3 12126 B12R1.226 C=C(F)CSc1cccc(c1)[S] 62a_100000042424_114929384022 [0,2,0,0,0,0|0,1,0]=3 12127 B12R1.226 C=C(F)CSc1cccc(c1)[S] 62a_114929384022_100000042424 [0,2,0,0,0,0|0,1,0]=3 12128 B12R1.226 C=C(F)CSc1cccc(n1)Br 62a_100000042424_100000684672 [0,2,0,0,0,0|1,1,0]=4 12129 B12R1.226 C=C(F)CSc1cccc(n1)Br 62a_100000684672_100000042424 [0,2,0,0,0,0|1,1,0]=4 12130 B12R1.226 C=C(F)CSc1cccc(n1)C 62a_100000042424_100000742759 [0,2,0,0,0,0|1,1,0]=4 12131 B12R1.226 C=C(F)CSc1cccc(n1)C 62a_100000742759_100000042424 [0,2,0,0,0,0|1,1,0]=4 12132 B12R1.226 C=C(F)CSc1cccc(n1)Cl 62a_100000042424_100000051397 [0,2,0,0,0,0|1,1,0]=4 12133 B12R1.226 C=C(F)CSc1cccc(n1)Cl 62a_100000051397_100000042424 [0,2,0,0,0,0|1,1,0]=4 12134 B12R1.226 C=C(F)CSc1cccc(n1)F 62a_100000042424_100009815982 [0,2,0,0,0,0|1,1,0]=4 12135 B12R1.226 C=C(F)CSc1cccc(n1)F 62a_100009815982_100000042424 [0,2,0,0,0,0|1,1,0]=4 12136 B12R1.226 C=C(F)CSc1cccc(n1)N 62a_100000042424_100000740741 [0,2,0,0,0,0|1,1,0]=4 12137 B12R1.226 C=C(F)CSc1cccc(n1)N 62a_100000740741_100000042424 [0,2,0,0,0,0|1,1,0]=4 12138 B12R1.226 C=C(F)CSc1ccnc(c1)Br 62a_100000042424_100009814637 [0,2,0,0,0,0|1,1,0]=4 12139 B12R1.226 C=C(F)CSc1ccnc(c1)Br 62a_100009814637_100000042424 [0,2,0,0,0,0|1,1,0]=4 12140 B12R1.226 C=C(F)CSc1ccnc(c1)C 62a_100000042424_100000758586 [0,2,0,0,0,0|1,1,0]=4 12141 B12R1.226 C=C(F)CSc1ccnc(c1)C 62a_100000758586_100000042424 [0,2,0,0,0,0|1,1,0]=4 12142 B12R1.226 C=C(F)CSc1ccnc(c1)Cl 62a_100000035001_100000042424 [0,2,0,0,0,0|1,1,0]=4 12143 B12R1.226 C=C(F)CSc1ccnc(c1)Cl 62a_100000042424_100000035001 [0,2,0,0,0,0|1,1,0]=4 12144 B12R1.226 C=C(F)CSc1ccnc(c1)F 62a_100000042424_100009816116 [0,2,0,0,0,0|1,1,0]=4 12145 B12R1.226 C=C(F)CSc1ccnc(c1)F 62a_100009816116_100000042424 [0,2,0,0,0,0|1,1,0]=4 12146 B12R1.226 C=C(F)CSc1ccnc(c1)N 62a_100000042424_100000049665 [0,2,0,0,0,0|1,1,0]=4 12147 B12R1.226 C=C(F)CSc1ccnc(c1)N 62a_100000049665_100000042424 [0,2,0,0,0,0|1,1,0]=4 12148 B12R1.226 C=C(F)CSc1cncc(c1)Br 62a_100000042424_100000728054 [0,2,0,0,0,0|1,1,0]=4 12149 B12R1.226 C=C(F)CSc1cncc(c1)Br 62a_100000728054_100000042424 [0,2,0,0,0,0|1,1,0]=4 12150 B12R1.226 C=C(F)CSc1cncc(c1)C 62a_100000042424_100000760492 [0,2,0,0,0,0|1,1,0]=4 12151 B12R1.226 C=C(F)CSc1cncc(c1)C 62a_100000760492_100000042424 [0,2,0,0,0,0|1,1,0]=4 12152 B12R1.226 C=C(F)CSc1cncc(c1)Cl 62a_100000042424_100000049639 [0,2,0,0,0,0|1,1,0]=4 12153 B12R1.226 C=C(F)CSc1cncc(c1)Cl 62a_100000049639_100000042424 [0,2,0,0,0,0|1,1,0]=4 12154 B12R1.226 C=C(F)CSc1cncc(c1)F 62a_100000042424_100000744099 [0,2,0,0,0,0|1,1,0]=4 12155 B12R1.226 C=C(F)CSc1cncc(c1)F 62a_100000744099_100000042424 [0,2,0,0,0,0|1,1,0]=4 12156 B12R1.226 C=C(F)CSc1cncc(c1)N 62a_100000042424_100000687067 [0,2,0,0,0,0|1,1,0]=4 12157 B12R1.226 C=C(F)CSc1cncc(c1)N 62a_100000687067_100000042424 [0,2,0,0,0,0|1,1,0]=4 12158 B12R1.226 C=C(F)CSc1cncc(c1)O 62a_100000042424_100000754920 [0,2,0,0,0,0|1,1,0]=4 12159 B12R1.226 C=C(F)CSc1cncc(c1)O 62a_100000754920_100000042424 [0,2,0,0,0,0|1,1,0]=4 12160 B12R1.226 CC(=O)CCc1cccc(c1)Br 1458a_100000070787_100011740638 [0,2,0,0,0,0|1,0,1]=4 12161 B12R1.226 CC(=O)CCc1cccc(c1)Br 1458a_100000184314_200000210301 [0,2,0,0,0,0|1,0,1]=4 12162 B12R1.226 CC(=O)CCc1cccc(c1)C 1458a_100000070787_100011713685 [0,2,0,0,0,0|1,0,1]=4 12163 B12R1.226 CC(=O)CCc1cccc(c1)C 1458a_100000234952_200000210301 [0,2,0,0,0,0|1,0,1]=4 12164 B12R1.226 CC(=O)CCc1cccc(c1)Cl 1458a_100000070787_100011713710 [0,2,0,0,0,0|1,0,1]=4 12165 B12R1.226 CC(=O)CCc1cccc(c1)Cl 1458a_100000235675_200000210301 [0,2,0,0,0,0|1,0,1]=4 12166 B12R1.226 CC(=O)CCc1cccc(c1)F 1458a_100000070787_100011217235 [0,2,0,0,0,0|1,0,1]=4 12167 B12R1.226 CC(=O)CCc1cccc(c1)F 1458a_100000235673_200000210301 [0,2,0,0,0,0|1,0,1]=4 12168 B12R1.226 CC(=O)CCc1cccc(c1)I 1458a_100010007846_200000210301 [0,2,0,0,0,0|1,0,1]=4 12169 B12R1.226 CC(=O)CCc1cccc(c1)O 1458a_100011216126_200000210301 [0,2,0,0,0,0|1,0,1]=4 12170 B12R1.226 CC(=O)CCc1cccc(c1)O 271570a_203496583355_100011279149 [0,2,0,0,0,0|1,0,1]=4 12171 B12R1.226 CC(=O)COc1cccc(c1)Br 1458a_100000182359_200000210301 [0,2,0,0,0,0|0,0,1]=3 12172 B12R1.226 CC(=O)COc1cccc(c1)C 1458a_100000183606_200000210301 [0,2,0,0,0,0|0,0,1]=3 12173 B12R1.226 CC(=O)COc1cccc(c1)Cl 1458a_100000184978_200000210301 [0,2,0,0,0,0|0,0,1]=3 12174 B12R1.226 CC(=O)COc1cccc(c1)F 1458a_100000182781_200000210301 [0,2,0,0,0,0|0,0,1]=3 12175 B12R1.226 CC(=O)CSc1cccc(c1)Br 1458a_100000760868_200000210301 [0,2,0,0,0,0|0,1,1]=4 12176 B12R1.226 CC(C)COc1cccc(c1)Br 34a_100000210342_100000210624 [0,2,0,0,0,0|0,0,2]=4 12177 B12R1.226 CC(C)COc1cccc(c1)Br 7a_100000210342_100000210760 [0,2,0,0,0,0|0,0,2]=4 12178 B12R1.226 CC(C)COc1cccc(c1)Cl 34a_100000210295_100000210624 [0,2,0,0,0,0|0,0,2]=4 12179 B12R1.226 CC(C)COc1cccc(c1)Cl 7a_100000210295_100000210760 [0,2,0,0,0,0|0,0,2]=4 12180 B12R1.226 CC(C)COc1cccc(c1)F 34a_100000210426_100000210624 [0,2,0,0,0,0|0,0,2]=4 12181 B12R1.226 CC(C)COc1cccc(c1)F 7a_100000210426_100000210760 [0,2,0,0,0,0|0,0,2]=4 12182 B12R1.226 CC(C)COc1cccc(c1)I 34a_100000211634_100000210624 [0,2,0,0,0,0|0,0,2]=4 12183 B12R1.226 CC(C)COc1cccc(c1)I 7a_100000211634_100000210760 [0,2,0,0,0,0|0,0,2]=4 12184 B12R1.226 CC(C)COc1cccc(c1)N 34a_100000210217_100000210624 [0,2,0,0,0,0|0,0,2]=4 12185 B12R1.226 CC(C)COc1cccc(c1)O 271570a_203496583355_200000170005 [0,2,0,0,0,0|0,0,2]=4 12186 B12R1.226 CC(O)COc1cccc(c1)Br 34a_100000210342_100011218427 [0,2,0,0,0,0|0,0,2]=4 12187 B12R1.226 CC(O)COc1cccc(c1)Br 7a_100000210342_100011218427 [0,2,0,0,0,0|0,0,2]=4 12188 B12R1.226 CC(O)COc1cccc(c1)Cl 34a_100000210295_100011218427 [0,2,0,0,0,0|0,0,2]=4 12189 B12R1.226 CC(O)COc1cccc(c1)Cl 7a_100000210295_100011218427 [0,2,0,0,0,0|0,0,2]=4 12190 B12R1.226 CC(O)COc1cccc(c1)F 34a_100000210426_100011218427 [0,2,0,0,0,0|0,0,2]=4 12191 B12R1.226 CC(O)COc1cccc(c1)F 7a_100000210426_100011218427 [0,2,0,0,0,0|0,0,2]=4 12192 B12R1.226 CC(O)COc1cccc(c1)I 34a_100000211634_100011218427 [0,2,0,0,0,0|0,0,2]=4 12193 B12R1.226 CC(O)COc1cccc(c1)I 7a_100000211634_100011218427 [0,2,0,0,0,0|0,0,2]=4 12194 B12R1.226 CC(O)COc1cccc(c1)N 34a_100000210217_100011218427 [0,2,0,0,0,0|0,0,2]=4 12195 B12R1.226 C[C@@H](O)COc1cccc(c1)Br 34a_100000210342_100009817552 [0,2,0,0,0,0|0,0,2]=4 12196 B12R1.226 C[C@@H](O)COc1cccc(c1)Br 7a_100000210342_100009817552 [0,2,0,0,0,0|0,0,2]=4 12197 B12R1.226 C[C@@H](O)COc1cccc(c1)Cl 34a_100000210295_100009817552 [0,2,0,0,0,0|0,0,2]=4 12198 B12R1.226 C[C@@H](O)COc1cccc(c1)Cl 7a_100000210295_100009817552 [0,2,0,0,0,0|0,0,2]=4 12199 B12R1.226 C[C@@H](O)COc1cccc(c1)F 34a_100000210426_100009817552 [0,2,0,0,0,0|0,0,2]=4 12200 B12R1.226 C[C@@H](O)COc1cccc(c1)F 7a_100000210426_100009817552 [0,2,0,0,0,0|0,0,2]=4 12201 B12R1.226 C[C@@H](O)COc1cccc(c1)I 34a_100000211634_100009817552 [0,2,0,0,0,0|0,0,2]=4 12202 B12R1.226 C[C@@H](O)COc1cccc(c1)I 7a_100000211634_100009817552 [0,2,0,0,0,0|0,0,2]=4 12203 B12R1.226 C[C@@H](O)COc1cccc(c1)N 34a_100000210217_100009817552 [0,2,0,0,0,0|0,0,2]=4 12204 B12R1.226 Cc1cc(ccn1)OCC(=O)N 34a_100000688365_100000187820 [0,2,0,0,0,0|2,0,0]=4 12205 B12R1.226 Cc1cc(ccn1)OCC(=O)[O-] 34a_100000688365_100020667443 [0,2,0,0,0,0|2,0,0]=4 12206 B12R1.226 Cc1cccc(c1)CCC(=O)[13CH3] 1458a_100000234952_200025704644 [0,2,0,0,0,0|1,0,1]=4 12207 B12R1.226 Cc1cccc(c1)NCC(=O)N 2230a_100000188690_100000747473 [0,2,0,0,0,0|2,0,0]=4 12208 B12R1.226 Cc1cccc(c1)NCC(=O)N 34a_100000188690_100000187820 [0,2,0,0,0,0|2,0,0]=4 12209 B12R1.226 Cc1cccc(c1)NCC(=O)[O-] 34a_100000188690_100020667443 [0,2,0,0,0,0|2,0,0]=4 12210 B12R1.226 Cc1cccc(c1)OCC(=O)N 34a_100000210337_100000187820 [0,2,0,0,0,0|1,0,0]=3 12211 B12R1.226 Cc1cccc(c1)OCC(=O)N 7a_100000210337_100000187820 [0,2,0,0,0,0|1,0,0]=3 12212 B12R1.226 Cc1cccc(c1)OCC(=O)[13CH3] 1458a_100000183606_200025704644 [0,2,0,0,0,0|0,0,1]=3 12213 B12R1.226 Cc1cccc(c1)OCC(=O)[O-] 34a_100000210337_100020667443 [0,2,0,0,0,0|1,0,0]=3 12214 B12R1.226 Cc1cccc(c1)OCC(C)C 34a_100000210337_100000210624 [0,2,0,0,0,0|0,0,2]=4 12215 B12R1.226 Cc1cccc(c1)OCC(C)C 7a_100000210337_100000210760 [0,2,0,0,0,0|0,0,2]=4 12216 B12R1.226 Cc1cccc(c1)OCC(C)O 34a_100000210337_100011218427 [0,2,0,0,0,0|0,0,2]=4 12217 B12R1.226 Cc1cccc(c1)OCC(C)O 7a_100000210337_100011218427 [0,2,0,0,0,0|0,0,2]=4 12218 B12R1.226 Cc1cccc(c1)OCC(F)F 34a_100000210337_100011934356 [0,2,0,0,0,0|1,0,1]=4 12219 B12R1.226 Cc1cccc(c1)OCC(F)F 7a_100000210337_100011934356 [0,2,0,0,0,0|1,0,1]=4 12220 B12R1.226 Cc1cccc(c1)OC[C@@H](C)O 34a_100000210337_100009817552 [0,2,0,0,0,0|0,0,2]=4 12221 B12R1.226 Cc1cccc(c1)OC[C@@H](C)O 7a_100000210337_100009817552 [0,2,0,0,0,0|0,0,2]=4 12222 B12R1.226 Cc1cccc(c1)OC[N+](=O)[O-] 34a_100000210337_100000761209 [0,2,0,0,0,0|2,0,0]=4 12223 B12R1.226 Cc1cccc(c1)SCC(=O)N 62a_100000747473_100011215228 [0,2,0,0,0,0|1,1,0]=4 12224 B12R1.226 Cc1cccc(c1)SCC(=O)N 62a_100011215228_100000747473 [0,2,0,0,0,0|1,1,0]=4 12225 B12R1.226 Cc1cccc(c1)SCC(=O)[O-] 62a_100011215228_100020667443 [0,2,0,0,0,0|1,1,0]=4 12226 B12R1.226 Cc1cccc(c1)SCC(=O)[O-] 62a_100020667443_100011215228 [0,2,0,0,0,0|1,1,0]=4 12227 B12R1.226 Cc1cncc(c1)OCC(=O)N 34a_100011830280_100000187820 [0,2,0,0,0,0|2,0,0]=4 12228 B12R1.226 Cc1cncc(c1)OCC(=O)N 7a_100011830280_100000187820 [0,2,0,0,0,0|2,0,0]=4 12229 B12R1.226 Cc1cncc(c1)OCC(=O)[O-] 34a_100011830280_100020667443 [0,2,0,0,0,0|2,0,0]=4 12230 B12R1.226 FC(F)COc1cccc(c1)Br 34a_100000210342_100011934356 [0,2,0,0,0,0|1,0,1]=4 12231 B12R1.226 FC(F)COc1cccc(c1)Br 7a_100000210342_100011934356 [0,2,0,0,0,0|1,0,1]=4 12232 B12R1.226 FC(F)COc1cccc(c1)Cl 34a_100000210295_100011934356 [0,2,0,0,0,0|1,0,1]=4 12233 B12R1.226 FC(F)COc1cccc(c1)Cl 7a_100000210295_100011934356 [0,2,0,0,0,0|1,0,1]=4 12234 B12R1.226 FC(F)COc1cccc(c1)I 34a_100000211634_100011934356 [0,2,0,0,0,0|1,0,1]=4 12235 B12R1.226 FC(F)COc1cccc(c1)I 7a_100000211634_100011934356 [0,2,0,0,0,0|1,0,1]=4 12236 B12R1.226 Fc1cccc(c1)OCC(F)F 34a_100000210426_100011934356 [0,2,0,0,0,0|1,0,1]=4 12237 B12R1.226 Fc1cccc(c1)OCC(F)F 7a_100000210426_100011934356 [0,2,0,0,0,0|1,0,1]=4 12238 B12R1.226 NC(=O)CCc1cccc(c1)O 271570a_203496583355_100000162029 [0,2,0,0,0,0|2,0,0]=4 12239 B12R1.226 NC(=O)CNc1cccc(c1)Br 34a_100000210019_100000187820 [0,2,0,0,0,0|2,0,0]=4 12240 B12R1.226 NC(=O)CNc1cccc(c1)Cl 34a_100000185859_100000187820 [0,2,0,0,0,0|2,0,0]=4 12241 B12R1.226 NC(=O)CNc1cccc(c1)F 34a_100000210047_100000187820 [0,2,0,0,0,0|2,0,0]=4 12242 B12R1.226 NC(=O)CNc1cccc(c1)I 34a_100000211102_100000187820 [0,2,0,0,0,0|2,0,0]=4 12243 B12R1.226 NC(=O)CNc1cccc(c1)O 34a_100000210217_100000187820 [0,2,0,0,0,0|2,0,0]=4 12244 B12R1.226 NC(=O)COc1cc[nH]c(=O)c1 34a_100000032262_100000187820 [0,2,0,0,0,0|2,0,0]=4 12245 B12R1.226 NC(=O)COc1ccc[n+](c1)[O-] 34a_100000039713_100000187820 [0,2,0,0,0,0|2,0,0]=4 12246 B12R1.226 NC(=O)COc1ccc[n+](c1)[O-] 7a_100000039713_100000187820 [0,2,0,0,0,0|2,0,0]=4 12247 B12R1.226 NC(=O)COc1cccc(=O)[nH]1 34a_100000033347_100000187820 [0,2,0,0,0,0|2,0,0]=4 12248 B12R1.226 NC(=O)COc1cccc(c1)Br 34a_100000210342_100000187820 [0,2,0,0,0,0|1,0,0]=3 12249 B12R1.226 NC(=O)COc1cccc(c1)Br 7a_100000210342_100000187820 [0,2,0,0,0,0|1,0,0]=3 12250 B12R1.226 NC(=O)COc1cccc(c1)Cl 34a_100000210295_100000187820 [0,2,0,0,0,0|1,0,0]=3 12251 B12R1.226 NC(=O)COc1cccc(c1)Cl 7a_100000210295_100000187820 [0,2,0,0,0,0|1,0,0]=3 12252 B12R1.226 NC(=O)COc1cccc(c1)F 34a_100000210426_100000187820 [0,2,0,0,0,0|1,0,0]=3 12253 B12R1.226 NC(=O)COc1cccc(c1)F 7a_100000210426_100000187820 [0,2,0,0,0,0|1,0,0]=3 12254 B12R1.226 NC(=O)COc1cccc(c1)I 34a_100000211634_100000187820 [0,2,0,0,0,0|1,0,0]=3 12255 B12R1.226 NC(=O)COc1cccc(c1)I 7a_100000211634_100000187820 [0,2,0,0,0,0|1,0,0]=3 12256 B12R1.226 NC(=O)COc1cccc(c1)N 34a_100000210217_100000187820 [0,2,0,0,0,0|1,0,0]=3 12257 B12R1.226 NC(=O)COc1cccc(c1)O 271570a_203496583355_200000150604 [0,2,0,0,0,0|1,0,0]=3 12258 B12R1.226 NC(=O)COc1cccc(n1)F 34a_100011432558_100000187820 [0,2,0,0,0,0|2,0,0]=4 12259 B12R1.226 NC(=O)COc1ccnc(c1)Cl 34a_100000762945_100000187820 [0,2,0,0,0,0|2,0,0]=4 12260 B12R1.226 NC(=O)COc1ccnc(c1)F 34a_100000732698_100000187820 [0,2,0,0,0,0|2,0,0]=4 12261 B12R1.226 NC(=O)COc1ccnc(c1)N 34a_100011834064_100000187820 [0,2,0,0,0,0|2,0,0]=4 12262 B12R1.226 NC(=O)COc1cncc(c1)Br 34a_100000754920_100000187820 [0,2,0,0,0,0|2,0,0]=4 12263 B12R1.226 NC(=O)COc1cncc(c1)Br 7a_100000754920_100000187820 [0,2,0,0,0,0|2,0,0]=4 12264 B12R1.226 NC(=O)COc1cncc(c1)Cl 7a_100000032511_100000187820 [0,2,0,0,0,0|2,0,0]=4 12265 B12R1.226 NC(=O)COc1cncc(c1)F 34a_100011830296_100000187820 [0,2,0,0,0,0|2,0,0]=4 12266 B12R1.226 NC(=O)COc1cncc(c1)F 7a_100011830296_100000187820 [0,2,0,0,0,0|2,0,0]=4 12267 B12R1.226 NC(=O)COc1cncc(c1)N 34a_100011997051_100000187820 [0,2,0,0,0,0|2,0,0]=4 12268 B12R1.226 NC(=O)CSc1cccc(c1)Br 62a_100000691529_100000747473 [0,2,0,0,0,0|1,1,0]=4 12269 B12R1.226 NC(=O)CSc1cccc(c1)Br 62a_100000747473_100000691529 [0,2,0,0,0,0|1,1,0]=4 12270 B12R1.226 NC(=O)CSc1cccc(c1)Cl 62a_100000699651_100000747473 [0,2,0,0,0,0|1,1,0]=4 12271 B12R1.226 NC(=O)CSc1cccc(c1)Cl 62a_100000747473_100000699651 [0,2,0,0,0,0|1,1,0]=4 12272 B12R1.226 NC(=O)CSc1cccc(c1)F 62a_100000685547_100000747473 [0,2,0,0,0,0|1,1,0]=4 12273 B12R1.226 NC(=O)CSc1cccc(c1)F 62a_100000747473_100000685547 [0,2,0,0,0,0|1,1,0]=4 12274 B12R1.226 NC(=O)CSc1cccc(c1)N 62a_100000210019_100000747473 [0,2,0,0,0,0|1,1,0]=4 12275 B12R1.226 NC(=O)CSc1cccc(c1)N 62a_100000747473_100000210019 [0,2,0,0,0,0|1,1,0]=4 12276 B12R1.226 NC(=O)CSc1cccc(c1)O 62a_100000747473_100000211634 [0,2,0,0,0,0|1,1,0]=4 12277 B12R1.226 NC(=O)CSc1cccc(c1)[S] 62a_100000747473_114929384022 [0,2,0,0,0,0|1,1,0]=4 12278 B12R1.226 NC(=O)CSc1cccc(c1)[S] 62a_114929384022_100000747473 [0,2,0,0,0,0|1,1,0]=4 12279 B12R1.226 Nc1cc(ccn1)OCC(=O)[O-] 34a_100011834064_100020667443 [0,2,0,0,0,0|2,0,0]=4 12280 B12R1.226 Nc1cccc(c1)OCC(=O)[O-] 34a_100000210217_100020667443 [0,2,0,0,0,0|1,0,0]=3 12281 B12R1.226 Nc1cccc(c1)OCC(F)F 34a_100000210217_100011934356 [0,2,0,0,0,0|1,0,1]=4 12282 B12R1.226 Nc1cccc(c1)OC[N+](=O)[O-] 34a_100000210217_100000761209 [0,2,0,0,0,0|2,0,0]=4 12283 B12R1.226 Nc1cccc(c1)SCC(=O)[O-] 62a_100000210019_100020667443 [0,2,0,0,0,0|1,1,0]=4 12284 B12R1.226 Nc1cccc(c1)SCC(=O)[O-] 62a_100020667443_100000210019 [0,2,0,0,0,0|1,1,0]=4 12285 B12R1.226 Nc1cncc(c1)OCC(=O)[O-] 34a_100011997051_100020667443 [0,2,0,0,0,0|2,0,0]=4 12286 B12R1.226 O=C([O-])CNc1cccc(c1)Br 34a_100000210019_100020667443 [0,2,0,0,0,0|2,0,0]=4 12287 B12R1.226 O=C([O-])CNc1cccc(c1)Cl 34a_100000185859_100020667443 [0,2,0,0,0,0|2,0,0]=4 12288 B12R1.226 O=C([O-])CNc1cccc(c1)F 34a_100000210047_100020667443 [0,2,0,0,0,0|2,0,0]=4 12289 B12R1.226 O=C([O-])CNc1cccc(c1)I 34a_100000211102_100020667443 [0,2,0,0,0,0|2,0,0]=4 12290 B12R1.226 O=C([O-])CNc1cccc(c1)O 34a_100000210217_100020667443 [0,2,0,0,0,0|2,0,0]=4 12291 B12R1.226 O=C([O-])COc1cc[nH]c(=O)c1 34a_100000032262_100020667443 [0,2,0,0,0,0|2,0,0]=4 12292 B12R1.226 O=C([O-])COc1ccc[n+](c1)[O-] 34a_100000039713_100020667443 [0,2,0,0,0,0|2,0,0]=4 12293 B12R1.226 O=C([O-])COc1cccc(=O)[nH]1 34a_100000033347_100020667443 [0,2,0,0,0,0|2,0,0]=4 12294 B12R1.226 O=C([O-])COc1cccc(c1)Br 34a_100000210342_100020667443 [0,2,0,0,0,0|1,0,0]=3 12295 B12R1.226 O=C([O-])COc1cccc(c1)Cl 34a_100000210295_100020667443 [0,2,0,0,0,0|1,0,0]=3 12296 B12R1.226 O=C([O-])COc1cccc(c1)F 34a_100000210426_100020667443 [0,2,0,0,0,0|1,0,0]=3 12297 B12R1.226 O=C([O-])COc1cccc(c1)I 34a_100000211634_100020667443 [0,2,0,0,0,0|1,0,0]=3 12298 B12R1.226 O=C([O-])COc1cccc(n1)F 34a_100011432558_100020667443 [0,2,0,0,0,0|2,0,0]=4 12299 B12R1.226 O=C([O-])COc1ccnc(c1)Cl 34a_100000762945_100020667443 [0,2,0,0,0,0|2,0,0]=4 12300 B12R1.226 O=C([O-])COc1ccnc(c1)F 34a_100000732698_100020667443 [0,2,0,0,0,0|2,0,0]=4 12301 B12R1.226 O=C([O-])COc1cncc(c1)Br 34a_100000754920_100020667443 [0,2,0,0,0,0|2,0,0]=4 12302 B12R1.226 O=C([O-])COc1cncc(c1)F 34a_100011830296_100020667443 [0,2,0,0,0,0|2,0,0]=4 12303 B12R1.226 O=C([O-])CSc1cccc(c1)Br 62a_100000691529_100020667443 [0,2,0,0,0,0|1,1,0]=4 12304 B12R1.226 O=C([O-])CSc1cccc(c1)Br 62a_100020667443_100000691529 [0,2,0,0,0,0|1,1,0]=4 12305 B12R1.226 O=C([O-])CSc1cccc(c1)Cl 62a_100000699651_100020667443 [0,2,0,0,0,0|1,1,0]=4 12306 B12R1.226 O=C([O-])CSc1cccc(c1)Cl 62a_100020667443_100000699651 [0,2,0,0,0,0|1,1,0]=4 12307 B12R1.226 O=C([O-])CSc1cccc(c1)F 62a_100000685547_100020667443 [0,2,0,0,0,0|1,1,0]=4 12308 B12R1.226 O=C([O-])CSc1cccc(c1)F 62a_100020667443_100000685547 [0,2,0,0,0,0|1,1,0]=4 12309 B12R1.226 O=C([O-])CSc1cccc(c1)O 62a_100020667443_100000211634 [0,2,0,0,0,0|1,1,0]=4 12310 B12R1.226 O=C([O-])CSc1cccc(c1)[S] 62a_100020667443_114929384022 [0,2,0,0,0,0|1,1,0]=4 12311 B12R1.226 O=C([O-])CSc1cccc(c1)[S] 62a_114929384022_100020667443 [0,2,0,0,0,0|1,1,0]=4 12312 B12R1.226 O=[N+]([O-])COc1cccc(c1)Br 34a_100000210342_100000761209 [0,2,0,0,0,0|2,0,0]=4 12313 B12R1.226 O=[N+]([O-])COc1cccc(c1)Cl 34a_100000210295_100000761209 [0,2,0,0,0,0|2,0,0]=4 12314 B12R1.226 O=[N+]([O-])COc1cccc(c1)F 34a_100000210426_100000761209 [0,2,0,0,0,0|2,0,0]=4 12315 B12R1.226 O=[N+]([O-])COc1cccc(c1)I 34a_100000211634_100000761209 [0,2,0,0,0,0|2,0,0]=4 12316 B12R1.226 Oc1cccc(c1)OCC(F)F 271570a_203496583355_100000763112 [0,2,0,0,0,0|1,0,1]=4 12317 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)Br 1458a_100000184314_200025704644 [0,2,0,0,0,0|1,0,1]=4 12318 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)Cl 1458a_100000235675_200025704644 [0,2,0,0,0,0|1,0,1]=4 12319 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)F 1458a_100000235673_200025704644 [0,2,0,0,0,0|1,0,1]=4 12320 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)I 1458a_100010007846_200025704644 [0,2,0,0,0,0|1,0,1]=4 12321 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)O 1458a_100011216126_200025704644 [0,2,0,0,0,0|1,0,1]=4 12322 B12R1.226 [13CH3]C(=O)COc1cccc(c1)Br 1458a_100000182359_200025704644 [0,2,0,0,0,0|0,0,1]=3 12323 B12R1.226 [13CH3]C(=O)COc1cccc(c1)Cl 1458a_100000184978_200025704644 [0,2,0,0,0,0|0,0,1]=3 12324 B12R1.226 [13CH3]C(=O)COc1cccc(c1)F 1458a_100000182781_200025704644 [0,2,0,0,0,0|0,0,1]=3 12325 B12R1.226 [13CH3]C(=O)CSc1cccc(c1)Br 1458a_100000760868_200025704644 [0,2,0,0,0,0|0,1,1]=4 12326 B12R1.382 C#CCOc1cccc(c1)C#C 34a_100011216014_100000184674 [0,2,0,0,0,0|0,0,2]=4 12327 B12R1.382 C#CCOc1cccc(c1)C#C 7a_100011216014_100000038162 [0,2,0,0,0,0|0,0,2]=4 12328 B12R1.382 C#CCOc1cccc(c1)C#N 34a_100000184713_100000184674 [0,2,0,0,0,0|0,0,2]=4 12329 B12R1.382 C#CCOc1cccc(c1)C#N 7a_100000184713_100000038162 [0,2,0,0,0,0|0,0,2]=4 12330 B12R1.382 C#CCOc1cccc(c1)C=C 34a_100011309434_100000184674 [0,2,0,0,0,0|0,0,2]=4 12331 B12R1.382 C#CCOc1cccc(c1)C=C 7a_100011309434_100000038162 [0,2,0,0,0,0|0,0,2]=4 12332 B12R1.382 C#CCOc1cccc(c1)CBr 34a_100011660834_100000184674 [0,2,0,0,0,0|0,0,2]=4 12333 B12R1.382 C#CCOc1cccc(c1)CBr 7a_100011660834_100000038162 [0,2,0,0,0,0|0,0,2]=4 12334 B12R1.382 C#CCOc1cccc(c1)CC 34a_100000211550_100000184674 [0,2,0,0,0,0|0,0,2]=4 12335 B12R1.382 C#CCOc1cccc(c1)CC 7a_100000211550_100000038162 [0,2,0,0,0,0|0,0,2]=4 12336 B12R1.382 C#CCOc1cccc(c1)CCl 34a_100000084143_100000184674 [0,2,0,0,0,0|0,0,2]=4 12337 B12R1.382 C#CCOc1cccc(c1)CCl 7a_100000084143_100000038162 [0,2,0,0,0,0|0,0,2]=4 12338 B12R1.382 C#CCOc1cccc(c1)CN 34a_100000743036_100000184674 [0,2,0,0,0,0|0,0,2]=4 12339 B12R1.382 C#CCOc1cccc(c1)CO 34a_100011214949_100000184674 [0,2,0,0,0,0|0,0,2]=4 12340 B12R1.382 C#CCOc1cccc(c1)CO 7a_100011214949_100000038162 [0,2,0,0,0,0|0,0,2]=4 12341 B12R1.382 C#CCOc1cccc(c1)NC 34a_100000756613_100000184674 [0,2,0,0,0,0|0,0,2]=4 12342 B12R1.382 C#CCOc1cccc(c1)NC 7a_100000756613_100000038162 [0,2,0,0,0,0|0,0,2]=4 12343 B12R1.382 C#CCOc1cccc(c1)OC 34a_100000211255_100000184674 [0,2,0,0,0,0|0,0,2]=4 12344 B12R1.382 C#CCOc1cccc(c1)OC 7a_100000211255_100000038162 [0,2,0,0,0,0|0,0,2]=4 12345 B12R1.382 C#CCOc1cccc(c1)SC 34a_100011265683_100000184674 [0,2,0,0,0,0|0,0,2]=4 12346 B12R1.382 C#CCOc1cccc(c1)SC 7a_100011265683_100000038162 [0,2,0,0,0,0|0,0,2]=4 12347 B12R1.382 C#Cc1cccc(c1)NCC=C 2230a_100000735509_100000210623 [0,2,0,0,0,0|1,0,0]=3 12348 B12R1.382 C#Cc1cccc(c1)NCC=C 34a_100000735509_100015514636 [0,2,0,0,0,0|1,0,0]=3 12349 B12R1.382 C#Cc1cccc(c1)NCC=O 2230a_100000735509_200015260668 [0,2,0,0,0,0|2,0,0]=4 12350 B12R1.382 C#Cc1cccc(c1)NCC=O 34a_100000735509_200009817547 [0,2,0,0,0,0|2,0,0]=4 12351 B12R1.382 C#Cc1cccc(c1)OCC#N 7a_100011216014_100011215382 [0,2,0,0,0,0|1,0,1]=4 12352 B12R1.382 C#Cc1cccc(c1)OCC=C 34a_100011216014_100015514636 [0,2,0,0,0,0|0,0,0]=2 12353 B12R1.382 C#Cc1cccc(c1)OCC=C 7a_100011216014_100015514636 [0,2,0,0,0,0|0,0,0]=2 12354 B12R1.382 C#Cc1cccc(c1)OCC=O 34a_100011216014_200009817547 [0,2,0,0,0,0|1,0,0]=3 12355 B12R1.382 C#Cc1cccc(c1)OCC=O 7a_100011216014_200015260668 [0,2,0,0,0,0|1,0,0]=3 12356 B12R1.382 C#Cc1cccc(c1)OCCC 34a_100011216014_100000210303 [0,2,0,0,0,0|0,0,2]=4 12357 B12R1.382 C#Cc1cccc(c1)OCCC 7a_100011216014_100000210303 [0,2,0,0,0,0|0,0,2]=4 12358 B12R1.382 C#Cc1cccc(c1)OCCF 34a_100011216014_100011217306 [0,2,0,0,0,0|1,0,1]=4 12359 B12R1.382 C#Cc1cccc(c1)OCCF 7a_100011216014_100011217306 [0,2,0,0,0,0|1,0,1]=4 12360 B12R1.382 C#Cc1cccc(c1)OCCO 34a_100011216014_100000211926 [0,2,0,0,0,0|1,0,1]=4 12361 B12R1.382 C#Cc1cccc(c1)OCCO 7a_100011216014_100000211926 [0,2,0,0,0,0|1,0,1]=4 12362 B12R1.382 C#Cc1cccc(c1)OCSC 34a_100011216014_100011218213 [0,2,0,0,0,0|1,0,1]=4 12363 B12R1.382 C=CCNc1cc(ccn1)C#N 27a_100020586998_100011291639 [0,2,0,0,0,0|2,0,0]=4 12364 B12R1.382 C=CCNc1cc(ccn1)CC 27a_100020586998_100009817561 [0,2,0,0,0,0|2,0,0]=4 12365 B12R1.382 C=CCNc1cccc(c1)C#N 34a_100000210922_100015514636 [0,2,0,0,0,0|1,0,0]=3 12366 B12R1.382 C=CCNc1cccc(c1)C#N 7a_100000210922_100015514636 [0,2,0,0,0,0|1,0,0]=3 12367 B12R1.382 C=CCNc1cccc(c1)C=C 34a_100011827668_100015514636 [0,2,0,0,0,0|1,0,0]=3 12368 B12R1.382 C=CCNc1cccc(c1)CC 2230a_100000211250_100000210623 [0,2,0,0,0,0|1,0,0]=3 12369 B12R1.382 C=CCNc1cccc(c1)CC 34a_100000211250_100015514636 [0,2,0,0,0,0|1,0,0]=3 12370 B12R1.382 C=CCNc1cccc(c1)CC 7a_100000211250_100015514636 [0,2,0,0,0,0|1,0,0]=3 12371 B12R1.382 C=CCNc1cccc(c1)CF 2230a_100000126320_100000210623 [0,2,0,0,0,0|1,0,0]=3 12372 B12R1.382 C=CCNc1cccc(c1)CF 34a_100000126320_100015514636 [0,2,0,0,0,0|1,0,0]=3 12373 B12R1.382 C=CCNc1cccc(c1)CF 7a_100000126320_100015514636 [0,2,0,0,0,0|1,0,0]=3 12374 B12R1.382 C=CCNc1cccc(c1)CO 2230a_100000211919_100000210623 [0,2,0,0,0,0|1,0,0]=3 12375 B12R1.382 C=CCNc1cccc(c1)CO 34a_100000211919_100015514636 [0,2,0,0,0,0|1,0,0]=3 12376 B12R1.382 C=CCNc1cccc(c1)OC 34a_100000210024_100015514636 [0,2,0,0,0,0|1,0,0]=3 12377 B12R1.382 C=CCNc1cccc(c1)SC 2230a_100000210049_100000210623 [0,2,0,0,0,0|1,0,0]=3 12378 B12R1.382 C=CCNc1cccc(c1)SC 34a_100000210049_100015514636 [0,2,0,0,0,0|1,0,0]=3 12379 B12R1.382 C=CCNc1cccc(n1)C#N 27a_100020586998_100011934037 [0,2,0,0,0,0|2,0,0]=4 12380 B12R1.382 C=CCNc1ccnc(c1)C#N 27a_100020586998_100000685610 [0,2,0,0,0,0|2,0,0]=4 12381 B12R1.382 C=CCNc1ccnc(c1)CC 27a_100020586998_100009820011 [0,2,0,0,0,0|2,0,0]=4 12382 B12R1.382 C=CCNc1ccnc(c1)CO 27a_100020586998_100000748867 [0,2,0,0,0,0|2,0,0]=4 12383 B12R1.382 C=CCOc1cc(ccn1)CN 34a_100000748557_100015514636 [0,2,0,0,0,0|1,0,0]=3 12384 B12R1.382 C=CCOc1ccc[n+](c1)CC 34a_100000731997_100015514636 [0,2,0,0,0,0|1,0,0]=3 12385 B12R1.382 C=CCOc1ccc[n+](c1)CC 7a_100000731997_100015514636 [0,2,0,0,0,0|1,0,0]=3 12386 B12R1.382 C=CCOc1cccc(c1)C#N 34a_100000184713_100015514636 [0,2,0,0,0,0|0,0,0]=2 12387 B12R1.382 C=CCOc1cccc(c1)C#N 7a_100000184713_100015514636 [0,2,0,0,0,0|0,0,0]=2 12388 B12R1.382 C=CCOc1cccc(c1)C=C 34a_100011309434_100015514636 [0,2,0,0,0,0|0,0,0]=2 12389 B12R1.382 C=CCOc1cccc(c1)C=C 7a_100011309434_100015514636 [0,2,0,0,0,0|0,0,0]=2 12390 B12R1.382 C=CCOc1cccc(c1)CBr 34a_100011660834_100015514636 [0,2,0,0,0,0|0,0,0]=2 12391 B12R1.382 C=CCOc1cccc(c1)CBr 7a_100011660834_100015514636 [0,2,0,0,0,0|0,0,0]=2 12392 B12R1.382 C=CCOc1cccc(c1)CC 34a_100000211550_100015514636 [0,2,0,0,0,0|0,0,0]=2 12393 B12R1.382 C=CCOc1cccc(c1)CC 7a_100000211550_100015514636 [0,2,0,0,0,0|0,0,0]=2 12394 B12R1.382 C=CCOc1cccc(c1)CCl 34a_100000084143_100015514636 [0,2,0,0,0,0|0,0,0]=2 12395 B12R1.382 C=CCOc1cccc(c1)CCl 7a_100000084143_100015514636 [0,2,0,0,0,0|0,0,0]=2 12396 B12R1.382 C=CCOc1cccc(c1)CN 34a_100000743036_100015514636 [0,2,0,0,0,0|0,0,0]=2 12397 B12R1.382 C=CCOc1cccc(c1)CO 34a_100011214949_100015514636 [0,2,0,0,0,0|0,0,0]=2 12398 B12R1.382 C=CCOc1cccc(c1)CO 7a_100011214949_100015514636 [0,2,0,0,0,0|0,0,0]=2 12399 B12R1.382 C=CCOc1cccc(c1)NC 34a_100000756613_100015514636 [0,2,0,0,0,0|0,0,0]=2 12400 B12R1.382 C=CCOc1cccc(c1)NC 7a_100000756613_100015514636 [0,2,0,0,0,0|0,0,0]=2 12401 B12R1.382 C=CCOc1cccc(c1)OC 34a_100000211255_100015514636 [0,2,0,0,0,0|0,0,0]=2 12402 B12R1.382 C=CCOc1cccc(c1)OC 7a_100000211255_100015514636 [0,2,0,0,0,0|0,0,0]=2 12403 B12R1.382 C=CCOc1cccc(c1)SC 34a_100011265683_100015514636 [0,2,0,0,0,0|0,0,0]=2 12404 B12R1.382 C=CCOc1cccc(c1)SC 7a_100011265683_100015514636 [0,2,0,0,0,0|0,0,0]=2 12405 B12R1.382 C=CCOc1ccnc(c1)C#N 34a_100011777083_100015514636 [0,2,0,0,0,0|1,0,0]=3 12406 B12R1.382 C=CCOc1ccnc(c1)C#N 7a_100011777083_100015514636 [0,2,0,0,0,0|1,0,0]=3 12407 B12R1.382 C=CCOc1ccnc(c1)OC 34a_100012181050_100015514636 [0,2,0,0,0,0|1,0,0]=3 12408 B12R1.382 C=CCOc1cncc(c1)C#N 34a_100012002025_100015514636 [0,2,0,0,0,0|1,0,0]=3 12409 B12R1.382 C=CCOc1cncc(c1)C#N 7a_100012002025_100015514636 [0,2,0,0,0,0|1,0,0]=3 12410 B12R1.382 C=CCOc1cncc(c1)CC 34a_200009861530_100015514636 [0,2,0,0,0,0|1,0,0]=3 12411 B12R1.382 C=CCOc1cncc(c1)CC 7a_200009861530_100015514636 [0,2,0,0,0,0|1,0,0]=3 12412 B12R1.382 C=CCOc1cncc(c1)OC 34a_100000084572_100015514636 [0,2,0,0,0,0|1,0,0]=3 12413 B12R1.382 C=CCOc1cncc(c1)OC 7a_100000084572_100015514636 [0,2,0,0,0,0|1,0,0]=3 12414 B12R1.382 C=CCSc1cc(ccn1)C#N 62a_100000210623_100011291639 [0,2,0,0,0,0|1,1,0]=4 12415 B12R1.382 C=CCSc1cc(ccn1)C=O 62a_100000210623_100011290808 [0,2,0,0,0,0|1,1,0]=4 12416 B12R1.382 C=CCSc1cc(ccn1)C=O 62a_100011290808_100000210623 [0,2,0,0,0,0|1,1,0]=4 12417 B12R1.382 C=CCSc1cc(ccn1)CC 62a_100000210623_100009817561 [0,2,0,0,0,0|1,1,0]=4 12418 B12R1.382 C=CCSc1cc(ccn1)CC 62a_100009817561_100000210623 [0,2,0,0,0,0|1,1,0]=4 12419 B12R1.382 C=CCSc1cc(ccn1)CN 62a_100000210623_100025757509 [0,2,0,0,0,0|1,1,0]=4 12420 B12R1.382 C=CCSc1cc(ccn1)CN 62a_100025757509_100000210623 [0,2,0,0,0,0|1,1,0]=4 12421 B12R1.382 C=CCSc1cc(ccn1)CO 62a_100000210623_100009814636 [0,2,0,0,0,0|1,1,0]=4 12422 B12R1.382 C=CCSc1cc(ccn1)CO 62a_100009814636_100000210623 [0,2,0,0,0,0|1,1,0]=4 12423 B12R1.382 C=CCSc1cc(ccn1)NC 62a_100000210623_100009869472 [0,2,0,0,0,0|1,1,0]=4 12424 B12R1.382 C=CCSc1cc(ccn1)NC 62a_100009869472_100000210623 [0,2,0,0,0,0|1,1,0]=4 12425 B12R1.382 C=CCSc1cc(ccn1)NN 62a_100000089018_100000210623 [0,2,0,0,0,0|1,1,0]=4 12426 B12R1.382 C=CCSc1cc(ccn1)NN 62a_100000210623_100000089018 [0,2,0,0,0,0|1,1,0]=4 12427 B12R1.382 C=CCSc1cc(ccn1)OC 62a_100000210623_100011216251 [0,2,0,0,0,0|1,1,0]=4 12428 B12R1.382 C=CCSc1cc(ccn1)OC 62a_100009817693_100000210623 [0,2,0,0,0,0|1,1,0]=4 12429 B12R1.382 C=CCSc1cc(ccn1)SC 62a_100000210623_100010883326 [0,2,0,0,0,0|1,1,0]=4 12430 B12R1.382 C=CCSc1cc(ccn1)SC 62a_100010883326_100000210623 [0,2,0,0,0,0|1,1,0]=4 12431 B12R1.382 C=CCSc1cccc(c1)C#N 62a_100000210623_100000189340 [0,2,0,0,0,0|0,1,0]=3 12432 B12R1.382 C=CCSc1cccc(c1)C=C 62a_100000210623_100011215241 [0,2,0,0,0,0|0,1,0]=3 12433 B12R1.382 C=CCSc1cccc(c1)C=C 62a_100011215241_100000210623 [0,2,0,0,0,0|0,1,0]=3 12434 B12R1.382 C=CCSc1cccc(c1)C=O 62a_100000014684_100000210623 [0,2,0,0,0,0|0,1,0]=3 12435 B12R1.382 C=CCSc1cccc(c1)C=O 62a_100000210623_100000014684 [0,2,0,0,0,0|0,1,0]=3 12436 B12R1.382 C=CCSc1cccc(c1)CC 62a_100000210623_100011263222 [0,2,0,0,0,0|0,1,0]=3 12437 B12R1.382 C=CCSc1cccc(c1)CC 62a_100011263222_100000210623 [0,2,0,0,0,0|0,1,0]=3 12438 B12R1.382 C=CCSc1cccc(c1)CF 62a_100000210623_100010878472 [0,2,0,0,0,0|0,1,0]=3 12439 B12R1.382 C=CCSc1cccc(c1)CF 62a_100010878472_100000210623 [0,2,0,0,0,0|0,1,0]=3 12440 B12R1.382 C=CCSc1cccc(c1)CN 62a_100000106179_100000210623 [0,2,0,0,0,0|0,1,0]=3 12441 B12R1.382 C=CCSc1cccc(c1)CN 62a_100000210623_100000106179 [0,2,0,0,0,0|0,1,0]=3 12442 B12R1.382 C=CCSc1cccc(c1)CO 62a_100000210623_100000687537 [0,2,0,0,0,0|0,1,0]=3 12443 B12R1.382 C=CCSc1cccc(c1)CO 62a_100000687537_100000210623 [0,2,0,0,0,0|0,1,0]=3 12444 B12R1.382 C=CCSc1cccc(c1)NC 62a_100000210623_100000219648 [0,2,0,0,0,0|0,1,0]=3 12445 B12R1.382 C=CCSc1cccc(c1)NC 62a_100000219648_100000210623 [0,2,0,0,0,0|0,1,0]=3 12446 B12R1.382 C=CCSc1cccc(c1)NN 62a_100000210623_100000217339 [0,2,0,0,0,0|0,1,0]=3 12447 B12R1.382 C=CCSc1cccc(c1)NN 62a_100000217339_100000210623 [0,2,0,0,0,0|0,1,0]=3 12448 B12R1.382 C=CCSc1cccc(c1)OC 62a_100000210623_100000170001 [0,2,0,0,0,0|0,1,0]=3 12449 B12R1.382 C=CCSc1cccc(c1)SC 62a_100000210623_100011215954 [0,2,0,0,0,0|0,1,0]=3 12450 B12R1.382 C=CCSc1cccc(c1)SC 62a_100011215954_100000210623 [0,2,0,0,0,0|0,1,0]=3 12451 B12R1.382 C=CCSc1cccc(n1)C#N 62a_100000210623_100011934037 [0,2,0,0,0,0|1,1,0]=4 12452 B12R1.382 C=CCSc1cccc(n1)C=O 62a_100000210623_100000688028 [0,2,0,0,0,0|1,1,0]=4 12453 B12R1.382 C=CCSc1cccc(n1)C=O 62a_100000688028_100000210623 [0,2,0,0,0,0|1,1,0]=4 12454 B12R1.382 C=CCSc1cccc(n1)CC 62a_100000210623_100009856026 [0,2,0,0,0,0|1,1,0]=4 12455 B12R1.382 C=CCSc1cccc(n1)CC 62a_100009856026_100000210623 [0,2,0,0,0,0|1,1,0]=4 12456 B12R1.382 C=CCSc1cccc(n1)CN 62a_100000210623_100016990191 [0,2,0,0,0,0|1,1,0]=4 12457 B12R1.382 C=CCSc1cccc(n1)CN 62a_100016990191_100000210623 [0,2,0,0,0,0|1,1,0]=4 12458 B12R1.382 C=CCSc1cccc(n1)CO 62a_100000210623_100000694195 [0,2,0,0,0,0|1,1,0]=4 12459 B12R1.382 C=CCSc1cccc(n1)CO 62a_100000694195_100000210623 [0,2,0,0,0,0|1,1,0]=4 12460 B12R1.382 C=CCSc1cccc(n1)NC 62a_100000210623_100000703281 [0,2,0,0,0,0|1,1,0]=4 12461 B12R1.382 C=CCSc1cccc(n1)NC 62a_100000703281_100000210623 [0,2,0,0,0,0|1,1,0]=4 12462 B12R1.382 C=CCSc1cccc(n1)NN 62a_100000210623_100009817029 [0,2,0,0,0,0|1,1,0]=4 12463 B12R1.382 C=CCSc1cccc(n1)NN 62a_100009817029_100000210623 [0,2,0,0,0,0|1,1,0]=4 12464 B12R1.382 C=CCSc1cccc(n1)OC 62a_100000210623_100000760917 [0,2,0,0,0,0|1,1,0]=4 12465 B12R1.382 C=CCSc1cccc(n1)OC 62a_100000760917_100000210623 [0,2,0,0,0,0|1,1,0]=4 12466 B12R1.382 C=CCSc1cccc(n1)SC 62a_100000210623_100011960944 [0,2,0,0,0,0|1,1,0]=4 12467 B12R1.382 C=CCSc1cccc(n1)SC 62a_100011960944_100000210623 [0,2,0,0,0,0|1,1,0]=4 12468 B12R1.382 C=CCSc1ccnc(c1)C#N 62a_100000210623_100000685610 [0,2,0,0,0,0|1,1,0]=4 12469 B12R1.382 C=CCSc1ccnc(c1)C=C 62a_100000210623_100009845566 [0,2,0,0,0,0|1,1,0]=4 12470 B12R1.382 C=CCSc1ccnc(c1)C=C 62a_100009845566_100000210623 [0,2,0,0,0,0|1,1,0]=4 12471 B12R1.382 C=CCSc1ccnc(c1)C=O 62a_100000210623_100011998288 [0,2,0,0,0,0|1,1,0]=4 12472 B12R1.382 C=CCSc1ccnc(c1)C=O 62a_100011998288_100000210623 [0,2,0,0,0,0|1,1,0]=4 12473 B12R1.382 C=CCSc1ccnc(c1)CC 62a_100000210623_100009820011 [0,2,0,0,0,0|1,1,0]=4 12474 B12R1.382 C=CCSc1ccnc(c1)CC 62a_100009820011_100000210623 [0,2,0,0,0,0|1,1,0]=4 12475 B12R1.382 C=CCSc1ccnc(c1)CN 62a_100000085674_100000210623 [0,2,0,0,0,0|1,1,0]=4 12476 B12R1.382 C=CCSc1ccnc(c1)CN 62a_100000210623_100000085674 [0,2,0,0,0,0|1,1,0]=4 12477 B12R1.382 C=CCSc1ccnc(c1)CO 62a_100000210623_100000748867 [0,2,0,0,0,0|1,1,0]=4 12478 B12R1.382 C=CCSc1ccnc(c1)CO 62a_100000748867_100000210623 [0,2,0,0,0,0|1,1,0]=4 12479 B12R1.382 C=CCSc1ccnc(c1)NC 62a_100000210623_100009819592 [0,2,0,0,0,0|1,1,0]=4 12480 B12R1.382 C=CCSc1ccnc(c1)NC 62a_100009819592_100000210623 [0,2,0,0,0,0|1,1,0]=4 12481 B12R1.382 C=CCSc1ccnc(c1)NN 62a_100000210623_100000764631 [0,2,0,0,0,0|1,1,0]=4 12482 B12R1.382 C=CCSc1ccnc(c1)NN 62a_100000764631_100000210623 [0,2,0,0,0,0|1,1,0]=4 12483 B12R1.382 C=CCSc1ccnc(c1)OC 62a_100000117307_100000210623 [0,2,0,0,0,0|1,1,0]=4 12484 B12R1.382 C=CCSc1ccnc(c1)OC 62a_100000210623_100000117307 [0,2,0,0,0,0|1,1,0]=4 12485 B12R1.382 C=CCSc1cncc(c1)C#N 62a_100000210623_100000686085 [0,2,0,0,0,0|1,1,0]=4 12486 B12R1.382 C=CCSc1cncc(c1)C=C 62a_100000210623_200012180632 [0,2,0,0,0,0|1,1,0]=4 12487 B12R1.382 C=CCSc1cncc(c1)C=C 62a_200012180632_100000210623 [0,2,0,0,0,0|1,1,0]=4 12488 B12R1.382 C=CCSc1cncc(c1)C=O 62a_100000210623_100000687066 [0,2,0,0,0,0|1,1,0]=4 12489 B12R1.382 C=CCSc1cncc(c1)C=O 62a_100000687066_100000210623 [0,2,0,0,0,0|1,1,0]=4 12490 B12R1.382 C=CCSc1cncc(c1)CC 62a_100000210623_200009819073 [0,2,0,0,0,0|1,1,0]=4 12491 B12R1.382 C=CCSc1cncc(c1)CC 62a_200009819073_100000210623 [0,2,0,0,0,0|1,1,0]=4 12492 B12R1.382 C=CCSc1cncc(c1)CN 62a_100000210623_100011249555 [0,2,0,0,0,0|1,1,0]=4 12493 B12R1.382 C=CCSc1cncc(c1)CN 62a_100011249555_100000210623 [0,2,0,0,0,0|1,1,0]=4 12494 B12R1.382 C=CCSc1cncc(c1)CO 62a_100000210623_100011259137 [0,2,0,0,0,0|1,1,0]=4 12495 B12R1.382 C=CCSc1cncc(c1)CO 62a_100011259137_100000210623 [0,2,0,0,0,0|1,1,0]=4 12496 B12R1.382 C=CCSc1cncc(c1)NC 62a_100000210623_100012184536 [0,2,0,0,0,0|1,1,0]=4 12497 B12R1.382 C=CCSc1cncc(c1)NC 62a_100012184536_100000210623 [0,2,0,0,0,0|1,1,0]=4 12498 B12R1.382 C=CCSc1cncc(c1)NN 62a_100000210623_100000727789 [0,2,0,0,0,0|1,1,0]=4 12499 B12R1.382 C=CCSc1cncc(c1)NN 62a_100000727789_100000210623 [0,2,0,0,0,0|1,1,0]=4 12500 B12R1.382 C=CCSc1cncc(c1)OC 62a_100000050176_100000210623 [0,2,0,0,0,0|1,1,0]=4 12501 B12R1.382 C=CCSc1cncc(c1)OC 62a_100000210623_100000050176 [0,2,0,0,0,0|1,1,0]=4 12502 B12R1.382 C=CCSc1cncc(c1)SC 62a_100000210623_100009816972 [0,2,0,0,0,0|1,1,0]=4 12503 B12R1.382 C=CCSc1cncc(c1)SC 62a_100009816972_100000210623 [0,2,0,0,0,0|1,1,0]=4 12504 B12R1.382 C=Cc1cccc(c1)NCC=O 34a_100011827668_200009817547 [0,2,0,0,0,0|2,0,0]=4 12505 B12R1.382 C=Cc1cccc(c1)OCC#N 271570a_100011290941_200000169433 [0,2,0,0,0,0|1,0,1]=4 12506 B12R1.382 C=Cc1cccc(c1)OCC#N 7a_100011309434_100011215382 [0,2,0,0,0,0|1,0,1]=4 12507 B12R1.382 C=Cc1cccc(c1)OCC=O 34a_100011309434_200009817547 [0,2,0,0,0,0|1,0,0]=3 12508 B12R1.382 C=Cc1cccc(c1)OCC=O 7a_100011309434_200015260668 [0,2,0,0,0,0|1,0,0]=3 12509 B12R1.382 C=Cc1cccc(c1)OCCC 271570a_100011290941_100000170004 [0,2,0,0,0,0|0,0,2]=4 12510 B12R1.382 C=Cc1cccc(c1)OCCC 34a_100011309434_100000210303 [0,2,0,0,0,0|0,0,2]=4 12511 B12R1.382 C=Cc1cccc(c1)OCCC 7a_100011309434_100000210303 [0,2,0,0,0,0|0,0,2]=4 12512 B12R1.382 C=Cc1cccc(c1)OCCF 34a_100011309434_100011217306 [0,2,0,0,0,0|1,0,1]=4 12513 B12R1.382 C=Cc1cccc(c1)OCCF 7a_100011309434_100011217306 [0,2,0,0,0,0|1,0,1]=4 12514 B12R1.382 C=Cc1cccc(c1)OCCN 271570a_100011290941_100000743521 [0,2,0,0,0,0|1,0,1]=4 12515 B12R1.382 C=Cc1cccc(c1)OCCO 271570a_100011290941_100000757546 [0,2,0,0,0,0|1,0,1]=4 12516 B12R1.382 C=Cc1cccc(c1)OCCO 34a_100011309434_100000211926 [0,2,0,0,0,0|1,0,1]=4 12517 B12R1.382 C=Cc1cccc(c1)OCCO 7a_100011309434_100000211926 [0,2,0,0,0,0|1,0,1]=4 12518 B12R1.382 C=Cc1cccc(c1)OCOC 271570a_100011290941_100012265688 [0,2,0,0,0,0|1,0,1]=4 12519 B12R1.382 C=Cc1cccc(c1)OCSC 34a_100011309434_100011218213 [0,2,0,0,0,0|1,0,1]=4 12520 B12R1.382 C=Cc1cccc(c1)SCC=O 62a_100011215241_200015260668 [0,2,0,0,0,0|1,1,0]=4 12521 B12R1.382 C=Cc1cccc(c1)SCC=O 62a_200015260668_100011215241 [0,2,0,0,0,0|1,1,0]=4 12522 B12R1.382 CCCOc1cccc(c1)C#N 34a_100000184713_100000210303 [0,2,0,0,0,0|0,0,2]=4 12523 B12R1.382 CCCOc1cccc(c1)C#N 7a_100000184713_100000210303 [0,2,0,0,0,0|0,0,2]=4 12524 B12R1.382 CCCOc1cccc(c1)CBr 34a_100011660834_100000210303 [0,2,0,0,0,0|0,0,2]=4 12525 B12R1.382 CCCOc1cccc(c1)CBr 7a_100011660834_100000210303 [0,2,0,0,0,0|0,0,2]=4 12526 B12R1.382 CCCOc1cccc(c1)CC 34a_100000211550_100000210303 [0,2,0,0,0,0|0,0,2]=4 12527 B12R1.382 CCCOc1cccc(c1)CC 7a_100000211550_100000210303 [0,2,0,0,0,0|0,0,2]=4 12528 B12R1.382 CCCOc1cccc(c1)CCl 34a_100000084143_100000210303 [0,2,0,0,0,0|0,0,2]=4 12529 B12R1.382 CCCOc1cccc(c1)CCl 7a_100000084143_100000210303 [0,2,0,0,0,0|0,0,2]=4 12530 B12R1.382 CCCOc1cccc(c1)CN 34a_100000743036_100000210303 [0,2,0,0,0,0|0,0,2]=4 12531 B12R1.382 CCCOc1cccc(c1)CO 34a_100011214949_100000210303 [0,2,0,0,0,0|0,0,2]=4 12532 B12R1.382 CCCOc1cccc(c1)CO 7a_100011214949_100000210303 [0,2,0,0,0,0|0,0,2]=4 12533 B12R1.382 CCCOc1cccc(c1)NC 34a_100000756613_100000210303 [0,2,0,0,0,0|0,0,2]=4 12534 B12R1.382 CCCOc1cccc(c1)NC 7a_100000756613_100000210303 [0,2,0,0,0,0|0,0,2]=4 12535 B12R1.382 CCCOc1cccc(c1)OC 34a_100000211255_100000210303 [0,2,0,0,0,0|0,0,2]=4 12536 B12R1.382 CCCOc1cccc(c1)OC 34a_100000748497_200000210301 [0,2,0,0,0,0|0,0,2]=4 12537 B12R1.382 CCCOc1cccc(c1)OC 7a_100000211255_100000210303 [0,2,0,0,0,0|0,0,2]=4 12538 B12R1.382 CCCOc1cccc(c1)OC 7a_100000748497_200000210301 [0,2,0,0,0,0|0,0,2]=4 12539 B12R1.382 CCCOc1cccc(c1)O[13CH3] 34a_100000748497_200025704644 [0,2,0,0,0,0|0,0,2]=4 12540 B12R1.382 CCCOc1cccc(c1)O[13CH3] 7a_100000748497_200025704644 [0,2,0,0,0,0|0,0,2]=4 12541 B12R1.382 CCCOc1cccc(c1)SC 34a_100011265683_100000210303 [0,2,0,0,0,0|0,0,2]=4 12542 B12R1.382 CCCOc1cccc(c1)SC 62a_100000170004_200000210301 [0,2,0,0,0,0|0,0,2]=4 12543 B12R1.382 CCCOc1cccc(c1)SC 62a_200000210301_100000170004 [0,2,0,0,0,0|0,0,2]=4 12544 B12R1.382 CCCOc1cccc(c1)SC 7a_100011265683_100000210303 [0,2,0,0,0,0|0,0,2]=4 12545 B12R1.382 CCCOc1cccc(c1)S[13CH3] 62a_100000170004_200025704644 [0,2,0,0,0,0|0,0,2]=4 12546 B12R1.382 CCCOc1cccc(c1)S[13CH3] 62a_200025704644_100000170004 [0,2,0,0,0,0|0,0,2]=4 12547 B12R1.382 CC[n+]1cccc(c1)OCC=O 34a_100000731997_200009817547 [0,2,0,0,0,0|2,0,0]=4 12548 B12R1.382 CC[n+]1cccc(c1)OCC=O 7a_100000731997_200015260668 [0,2,0,0,0,0|2,0,0]=4 12549 B12R1.382 CCc1cccc(c1)NCC=O 2230a_100000211250_200015260668 [0,2,0,0,0,0|2,0,0]=4 12550 B12R1.382 CCc1cccc(c1)NCC=O 34a_100000211250_200009817547 [0,2,0,0,0,0|2,0,0]=4 12551 B12R1.382 CCc1cccc(c1)NCC=O 7a_100000211250_200015260668 [0,2,0,0,0,0|2,0,0]=4 12552 B12R1.382 CCc1cccc(c1)OCC#N 7a_100000211550_100011215382 [0,2,0,0,0,0|1,0,1]=4 12553 B12R1.382 CCc1cccc(c1)OCC=O 34a_100000211550_200009817547 [0,2,0,0,0,0|1,0,0]=3 12554 B12R1.382 CCc1cccc(c1)OCC=O 7a_100000211550_200015260668 [0,2,0,0,0,0|1,0,0]=3 12555 B12R1.382 CCc1cccc(c1)OCCF 34a_100000211550_100011217306 [0,2,0,0,0,0|1,0,1]=4 12556 B12R1.382 CCc1cccc(c1)OCCF 7a_100000211550_100011217306 [0,2,0,0,0,0|1,0,1]=4 12557 B12R1.382 CCc1cccc(c1)OCCO 34a_100000211550_100000211926 [0,2,0,0,0,0|1,0,1]=4 12558 B12R1.382 CCc1cccc(c1)OCCO 7a_100000211550_100000211926 [0,2,0,0,0,0|1,0,1]=4 12559 B12R1.382 CCc1cccc(c1)OCSC 34a_100000211550_100011218213 [0,2,0,0,0,0|1,0,1]=4 12560 B12R1.382 CCc1cccc(c1)SCC=O 62a_100011263222_200015260668 [0,2,0,0,0,0|1,1,0]=4 12561 B12R1.382 CCc1cccc(c1)SCC=O 62a_200015260668_100011263222 [0,2,0,0,0,0|1,1,0]=4 12562 B12R1.382 CCc1cncc(c1)OCC=O 34a_200009861530_200009817547 [0,2,0,0,0,0|2,0,0]=4 12563 B12R1.382 CCc1cncc(c1)OCC=O 7a_200009861530_200015260668 [0,2,0,0,0,0|2,0,0]=4 12564 B12R1.382 CNc1cccc(c1)OCC#N 34a_100000739570_200000210301 [0,2,0,0,0,0|1,0,1]=4 12565 B12R1.382 CNc1cccc(c1)OCC#N 7a_100000756613_100011215382 [0,2,0,0,0,0|1,0,1]=4 12566 B12R1.382 CNc1cccc(c1)OCC=O 34a_100000756613_200009817547 [0,2,0,0,0,0|1,0,0]=3 12567 B12R1.382 CNc1cccc(c1)OCC=O 7a_100000756613_200015260668 [0,2,0,0,0,0|1,0,0]=3 12568 B12R1.382 CNc1cccc(c1)OCCF 34a_100000756613_100011217306 [0,2,0,0,0,0|1,0,1]=4 12569 B12R1.382 CNc1cccc(c1)OCCF 7a_100000756613_100011217306 [0,2,0,0,0,0|1,0,1]=4 12570 B12R1.382 CNc1cccc(c1)OCCO 2230a_100011232151_200000210301 [0,2,0,0,0,0|1,0,1]=4 12571 B12R1.382 CNc1cccc(c1)OCCO 34a_100000756613_100000211926 [0,2,0,0,0,0|1,0,1]=4 12572 B12R1.382 CNc1cccc(c1)OCCO 34a_100011232151_200000210301 [0,2,0,0,0,0|1,0,1]=4 12573 B12R1.382 CNc1cccc(c1)OCCO 7a_100000756613_100000211926 [0,2,0,0,0,0|1,0,1]=4 12574 B12R1.382 CNc1cccc(c1)OCOC 34a_100012265470_200000210301 [0,2,0,0,0,0|1,0,1]=4 12575 B12R1.382 CNc1cccc(c1)OCSC 34a_100000756613_100011218213 [0,2,0,0,0,0|1,0,1]=4 12576 B12R1.382 CNc1cccc(c1)SCC=O 62a_100000219648_200015260668 [0,2,0,0,0,0|1,1,0]=4 12577 B12R1.382 CNc1cccc(c1)SCC=O 62a_200015260668_100000219648 [0,2,0,0,0,0|1,1,0]=4 12578 B12R1.382 COCOc1cccc(c1)N[13CH3] 34a_100012265470_200025704644 [0,2,0,0,0,0|1,0,1]=4 12579 B12R1.382 COCOc1cccc(c1)SC 62a_100012265688_200000210301 [0,2,0,0,0,0|1,0,1]=4 12580 B12R1.382 COCOc1cccc(c1)SC 62a_200000210301_100012265688 [0,2,0,0,0,0|1,0,1]=4 12581 B12R1.382 COCOc1cccc(c1)S[13CH3] 62a_100012265688_200025704644 [0,2,0,0,0,0|1,0,1]=4 12582 B12R1.382 COCOc1cccc(c1)S[13CH3] 62a_200025704644_100012265688 [0,2,0,0,0,0|1,0,1]=4 12583 B12R1.382 COc1cc(ccn1)OCC=O 34a_100012181050_200009817547 [0,2,0,0,0,0|2,0,0]=4 12584 B12R1.382 COc1cccc(c1)NCC=O 34a_100000210024_200009817547 [0,2,0,0,0,0|2,0,0]=4 12585 B12R1.382 COc1cccc(c1)OCC#N 7a_100000211255_100011215382 [0,2,0,0,0,0|1,0,1]=4 12586 B12R1.382 COc1cccc(c1)OCC=O 34a_100000211255_200009817547 [0,2,0,0,0,0|1,0,0]=3 12587 B12R1.382 COc1cccc(c1)OCC=O 7a_100000211255_200015260668 [0,2,0,0,0,0|1,0,0]=3 12588 B12R1.382 COc1cccc(c1)OCCF 34a_100000211255_100011217306 [0,2,0,0,0,0|1,0,1]=4 12589 B12R1.382 COc1cccc(c1)OCCF 7a_100000211255_100011217306 [0,2,0,0,0,0|1,0,1]=4 12590 B12R1.382 COc1cccc(c1)OCCO 34a_100000211255_100000211926 [0,2,0,0,0,0|1,0,1]=4 12591 B12R1.382 COc1cccc(c1)OCCO 7a_100000211255_100000211926 [0,2,0,0,0,0|1,0,1]=4 12592 B12R1.382 COc1cccc(c1)OCSC 34a_100000211255_100011218213 [0,2,0,0,0,0|1,0,1]=4 12593 B12R1.382 COc1cccc(c1)SCC=O 62a_200015260668_100000170001 [0,2,0,0,0,0|1,1,0]=4 12594 B12R1.382 COc1cncc(c1)OCC=O 34a_100000084572_200009817547 [0,2,0,0,0,0|2,0,0]=4 12595 B12R1.382 COc1cncc(c1)OCC=O 7a_100000084572_200015260668 [0,2,0,0,0,0|2,0,0]=4 12596 B12R1.382 CSCOc1cccc(c1)C#N 34a_100000184713_100011218213 [0,2,0,0,0,0|1,0,1]=4 12597 B12R1.382 CSCOc1cccc(c1)CBr 34a_100011660834_100011218213 [0,2,0,0,0,0|1,0,1]=4 12598 B12R1.382 CSCOc1cccc(c1)CCl 34a_100000084143_100011218213 [0,2,0,0,0,0|1,0,1]=4 12599 B12R1.382 CSCOc1cccc(c1)CN 34a_100000743036_100011218213 [0,2,0,0,0,0|1,0,1]=4 12600 B12R1.382 CSCOc1cccc(c1)CO 34a_100011214949_100011218213 [0,2,0,0,0,0|1,0,1]=4 12601 B12R1.382 CSCOc1cccc(c1)SC 34a_100011265683_100011218213 [0,2,0,0,0,0|1,0,1]=4 12602 B12R1.382 CSc1cccc(c1)NCC=O 2230a_100000210049_200015260668 [0,2,0,0,0,0|2,0,0]=4 12603 B12R1.382 CSc1cccc(c1)NCC=O 34a_100000210049_200009817547 [0,2,0,0,0,0|2,0,0]=4 12604 B12R1.382 CSc1cccc(c1)OCC#N 62a_200000169433_200000210301 [0,2,0,0,0,0|1,0,1]=4 12605 B12R1.382 CSc1cccc(c1)OCC#N 62a_200000210301_200000169433 [0,2,0,0,0,0|1,0,1]=4 12606 B12R1.382 CSc1cccc(c1)OCC#N 7a_100011265683_100011215382 [0,2,0,0,0,0|1,0,1]=4 12607 B12R1.382 CSc1cccc(c1)OCC=O 34a_100011265683_200009817547 [0,2,0,0,0,0|1,0,0]=3 12608 B12R1.382 CSc1cccc(c1)OCC=O 7a_100011265683_200015260668 [0,2,0,0,0,0|1,0,0]=3 12609 B12R1.382 CSc1cccc(c1)OCCF 34a_100011265683_100011217306 [0,2,0,0,0,0|1,0,1]=4 12610 B12R1.382 CSc1cccc(c1)OCCF 7a_100011265683_100011217306 [0,2,0,0,0,0|1,0,1]=4 12611 B12R1.382 CSc1cccc(c1)OCCN 62a_100000743521_200000210301 [0,2,0,0,0,0|1,0,1]=4 12612 B12R1.382 CSc1cccc(c1)OCCN 62a_200000210301_100000743521 [0,2,0,0,0,0|1,0,1]=4 12613 B12R1.382 CSc1cccc(c1)OCCO 34a_100011265683_100000211926 [0,2,0,0,0,0|1,0,1]=4 12614 B12R1.382 CSc1cccc(c1)OCCO 62a_100000757546_200000210301 [0,2,0,0,0,0|1,0,1]=4 12615 B12R1.382 CSc1cccc(c1)OCCO 62a_200000210301_100000757546 [0,2,0,0,0,0|1,0,1]=4 12616 B12R1.382 CSc1cccc(c1)OCCO 7a_100011265683_100000211926 [0,2,0,0,0,0|1,0,1]=4 12617 B12R1.382 CSc1cccc(c1)SCC=O 62a_100011215954_200015260668 [0,2,0,0,0,0|1,1,0]=4 12618 B12R1.382 CSc1cccc(c1)SCC=O 62a_200015260668_100011215954 [0,2,0,0,0,0|1,1,0]=4 12619 B12R1.382 FCCOc1cccc(c1)CBr 34a_100011660834_100011217306 [0,2,0,0,0,0|1,0,1]=4 12620 B12R1.382 FCCOc1cccc(c1)CBr 7a_100011660834_100011217306 [0,2,0,0,0,0|1,0,1]=4 12621 B12R1.382 FCCOc1cccc(c1)CCl 34a_100000084143_100011217306 [0,2,0,0,0,0|1,0,1]=4 12622 B12R1.382 FCCOc1cccc(c1)CCl 7a_100000084143_100011217306 [0,2,0,0,0,0|1,0,1]=4 12623 B12R1.382 N#CCOc1cccc(c1)C#N 7a_100000184713_100011215382 [0,2,0,0,0,0|1,0,1]=4 12624 B12R1.382 N#CCOc1cccc(c1)CBr 7a_100011660834_100011215382 [0,2,0,0,0,0|1,0,1]=4 12625 B12R1.382 N#CCOc1cccc(c1)CCl 7a_100000084143_100011215382 [0,2,0,0,0,0|1,0,1]=4 12626 B12R1.382 N#CCOc1cccc(c1)CO 7a_100011214949_100011215382 [0,2,0,0,0,0|1,0,1]=4 12627 B12R1.382 N#Cc1cc(ccn1)OCC=O 34a_100011777083_200009817547 [0,2,0,0,0,0|2,0,0]=4 12628 B12R1.382 N#Cc1cc(ccn1)OCC=O 7a_100011777083_200015260668 [0,2,0,0,0,0|2,0,0]=4 12629 B12R1.382 N#Cc1cccc(c1)NCC=O 34a_100000210922_200009817547 [0,2,0,0,0,0|2,0,0]=4 12630 B12R1.382 N#Cc1cccc(c1)NCC=O 7a_100000210922_200015260668 [0,2,0,0,0,0|2,0,0]=4 12631 B12R1.382 N#Cc1cccc(c1)OCC=O 34a_100000184713_200009817547 [0,2,0,0,0,0|1,0,0]=3 12632 B12R1.382 N#Cc1cccc(c1)OCC=O 7a_100000184713_200015260668 [0,2,0,0,0,0|1,0,0]=3 12633 B12R1.382 N#Cc1cccc(c1)OCCF 34a_100000184713_100011217306 [0,2,0,0,0,0|1,0,1]=4 12634 B12R1.382 N#Cc1cccc(c1)OCCF 7a_100000184713_100011217306 [0,2,0,0,0,0|1,0,1]=4 12635 B12R1.382 N#Cc1cccc(c1)OCCO 34a_100000184713_100000211926 [0,2,0,0,0,0|1,0,1]=4 12636 B12R1.382 N#Cc1cccc(c1)OCCO 7a_100000184713_100000211926 [0,2,0,0,0,0|1,0,1]=4 12637 B12R1.382 N#Cc1cccc(c1)SCC=O 62a_200015260668_100000189340 [0,2,0,0,0,0|1,1,0]=4 12638 B12R1.382 N#Cc1cncc(c1)OCC=O 34a_100012002025_200009817547 [0,2,0,0,0,0|2,0,0]=4 12639 B12R1.382 N#Cc1cncc(c1)OCC=O 7a_100012002025_200015260668 [0,2,0,0,0,0|2,0,0]=4 12640 B12R1.382 NCc1cccc(c1)OCC=O 34a_100000743036_200009817547 [0,2,0,0,0,0|1,0,0]=3 12641 B12R1.382 NCc1cccc(c1)OCCF 34a_100000743036_100011217306 [0,2,0,0,0,0|1,0,1]=4 12642 B12R1.382 NCc1cccc(c1)OCCO 34a_100000743036_100000211926 [0,2,0,0,0,0|1,0,1]=4 12643 B12R1.382 NCc1cccc(c1)SCC=O 62a_100000106179_200015260668 [0,2,0,0,0,0|1,1,0]=4 12644 B12R1.382 NCc1cccc(c1)SCC=O 62a_200015260668_100000106179 [0,2,0,0,0,0|1,1,0]=4 12645 B12R1.382 NCc1ccnc(c1)OCC=O 34a_100000748557_200009817547 [0,2,0,0,0,0|2,0,0]=4 12646 B12R1.382 NNc1cccc(c1)SCC=O 62a_100000217339_200015260668 [0,2,0,0,0,0|1,1,0]=4 12647 B12R1.382 NNc1cccc(c1)SCC=O 62a_200015260668_100000217339 [0,2,0,0,0,0|1,1,0]=4 12648 B12R1.382 O=CCNc1cccc(c1)CF 2230a_100000126320_200015260668 [0,2,0,0,0,0|2,0,0]=4 12649 B12R1.382 O=CCNc1cccc(c1)CF 34a_100000126320_200009817547 [0,2,0,0,0,0|2,0,0]=4 12650 B12R1.382 O=CCNc1cccc(c1)CF 7a_100000126320_200015260668 [0,2,0,0,0,0|2,0,0]=4 12651 B12R1.382 O=CCNc1cccc(c1)CO 2230a_100000211919_200015260668 [0,2,0,0,0,0|2,0,0]=4 12652 B12R1.382 O=CCNc1cccc(c1)CO 34a_100000211919_200009817547 [0,2,0,0,0,0|2,0,0]=4 12653 B12R1.382 O=CCOc1cccc(c1)CBr 34a_100011660834_200009817547 [0,2,0,0,0,0|1,0,0]=3 12654 B12R1.382 O=CCOc1cccc(c1)CBr 7a_100011660834_200015260668 [0,2,0,0,0,0|1,0,0]=3 12655 B12R1.382 O=CCOc1cccc(c1)CCl 34a_100000084143_200009817547 [0,2,0,0,0,0|1,0,0]=3 12656 B12R1.382 O=CCOc1cccc(c1)CCl 7a_100000084143_200015260668 [0,2,0,0,0,0|1,0,0]=3 12657 B12R1.382 O=CCOc1cccc(c1)CO 34a_100011214949_200009817547 [0,2,0,0,0,0|1,0,0]=3 12658 B12R1.382 O=CCOc1cccc(c1)CO 7a_100011214949_200015260668 [0,2,0,0,0,0|1,0,0]=3 12659 B12R1.382 O=CCSc1cccc(c1)C=O 62a_100000014684_200015260668 [0,2,0,0,0,0|1,1,0]=4 12660 B12R1.382 O=CCSc1cccc(c1)C=O 62a_200015260668_100000014684 [0,2,0,0,0,0|1,1,0]=4 12661 B12R1.382 O=CCSc1cccc(c1)CF 62a_100010878472_200015260668 [0,2,0,0,0,0|1,1,0]=4 12662 B12R1.382 O=CCSc1cccc(c1)CF 62a_200015260668_100010878472 [0,2,0,0,0,0|1,1,0]=4 12663 B12R1.382 O=CCSc1cccc(c1)CO 62a_100000687537_200015260668 [0,2,0,0,0,0|1,1,0]=4 12664 B12R1.382 O=CCSc1cccc(c1)CO 62a_200015260668_100000687537 [0,2,0,0,0,0|1,1,0]=4 12665 B12R1.382 OCCOc1cccc(c1)CBr 34a_100011660834_100000211926 [0,2,0,0,0,0|1,0,1]=4 12666 B12R1.382 OCCOc1cccc(c1)CBr 7a_100011660834_100000211926 [0,2,0,0,0,0|1,0,1]=4 12667 B12R1.382 OCCOc1cccc(c1)CCl 34a_100000084143_100000211926 [0,2,0,0,0,0|1,0,1]=4 12668 B12R1.382 OCCOc1cccc(c1)CCl 7a_100000084143_100000211926 [0,2,0,0,0,0|1,0,1]=4 12669 B12R1.382 OCCOc1cccc(c1)CO 34a_100011214949_100000211926 [0,2,0,0,0,0|1,0,1]=4 12670 B12R1.382 OCCOc1cccc(c1)CO 7a_100011214949_100000211926 [0,2,0,0,0,0|1,0,1]=4 12671 B12R1.382 OCc1cccc(c1)OCCF 34a_100011214949_100011217306 [0,2,0,0,0,0|1,0,1]=4 12672 B12R1.382 OCc1cccc(c1)OCCF 7a_100011214949_100011217306 [0,2,0,0,0,0|1,0,1]=4 12673 B12R1.382 [13CH3]Nc1cccc(c1)OCC#N 34a_100000739570_200025704644 [0,2,0,0,0,0|1,0,1]=4 12674 B12R1.382 [13CH3]Nc1cccc(c1)OCCO 2230a_100011232151_200025704644 [0,2,0,0,0,0|1,0,1]=4 12675 B12R1.382 [13CH3]Nc1cccc(c1)OCCO 34a_100011232151_200025704644 [0,2,0,0,0,0|1,0,1]=4 12676 B12R1.382 [13CH3]Sc1cccc(c1)OCC#N 62a_200000169433_200025704644 [0,2,0,0,0,0|1,0,1]=4 12677 B12R1.382 [13CH3]Sc1cccc(c1)OCC#N 62a_200025704644_200000169433 [0,2,0,0,0,0|1,0,1]=4 12678 B12R1.382 [13CH3]Sc1cccc(c1)OCCN 62a_100000743521_200025704644 [0,2,0,0,0,0|1,0,1]=4 12679 B12R1.382 [13CH3]Sc1cccc(c1)OCCN 62a_200025704644_100000743521 [0,2,0,0,0,0|1,0,1]=4 12680 B12R1.382 [13CH3]Sc1cccc(c1)OCCO 62a_100000757546_200025704644 [0,2,0,0,0,0|1,0,1]=4 12681 B12R1.382 [13CH3]Sc1cccc(c1)OCCO 62a_200025704644_100000757546 [0,2,0,0,0,0|1,0,1]=4 12682 B12R1.8 BrCCCOCc1ccccc1 34a_100011217188_100015291786 [0,2,0,0,0,0|0,0,2]=4 12683 B12R1.8 BrCCOCCc1ccccc1 34a_100000211926_100000765856 [0,2,0,0,0,0|1,0,1]=4 12684 B12R1.8 C#CCCCOc1ccccc1 34a_100000210340_100000695029 [0,2,0,0,0,0|0,0,2]=4 12685 B12R1.8 C#CCCCOc1ccccc1 7a_100000210340_100011215417 [0,2,0,0,0,0|0,0,2]=4 12686 B12R1.8 C#CCCOCc1ccccc1 34a_100000210790_100000688953 [0,2,0,0,0,0|0,0,2]=4 12687 B12R1.8 C#CCCOCc1ccccc1 34a_100011215631_100015291786 [0,2,0,0,0,0|0,0,2]=4 12688 B12R1.8 C#CCCOCc1ccccc1 7a_100000210790_100000688953 [0,2,0,0,0,0|0,0,2]=4 12689 B12R1.8 C#CCOCCc1ccccc1 34a_100000210247_100000765856 [0,2,0,0,0,0|0,0,2]=4 12690 B12R1.8 C#CCOCCc1ccccc1 34a_100000210268_100000184674 [0,2,0,0,0,0|0,0,2]=4 12691 B12R1.8 C#CCOCCc1ccccc1 7a_100000210268_100000038162 [0,2,0,0,0,0|0,0,2]=4 12692 B12R1.8 C/C=C/CNCc1ccccc1 34a_100015324214_100102629194 [0,2,0,0,0,0|1,0,0]=3 12693 B12R1.8 C/C=C/COCc1ccccc1 34a_100000210790_100102629194 [0,2,0,0,0,0|0,0,0]=2 12694 B12R1.8 C/C=C/COCc1ccccc1 34a_100016270725_100015291786 [0,2,0,0,0,0|0,0,0]=2 12695 B12R1.8 C/C=C/COCc1ccccc1 7a_100000210790_100102629194 [0,2,0,0,0,0|0,0,0]=2 12696 B12R1.8 C/C=C/COCc1ccccn1 34a_100016270725_100000721315 [0,2,0,0,0,0|1,0,0]=3 12697 B12R1.8 C/C=C/COCc1cccnc1 34a_100016270725_100000733263 [0,2,0,0,0,0|1,0,0]=3 12698 B12R1.8 C/C=C/COCc1cccnn1 34a_100016270725_100016990269 [0,2,0,0,0,0|2,0,0]=4 12699 B12R1.8 C/C=C/COCc1cnccn1 34a_100016270725_100016995436 [0,2,0,0,0,0|2,0,0]=4 12700 B12R1.8 C/C=C/COCc1cncnc1 34a_100016270725_100015196519 [0,2,0,0,0,0|2,0,0]=4 12701 B12R1.8 C/C=C/COCc1ncccn1 34a_100016270725_100000703007 [0,2,0,0,0,0|2,0,0]=4 12702 B12R1.8 C/C=C/CSCc1ccccc1 62a_100000211182_100102629194 [0,2,0,0,0,0|0,1,0]=3 12703 B12R1.8 C/C=C/CSCc1ccccc1 62a_100102629194_100015291786 [0,2,0,0,0,0|0,1,0]=3 12704 B12R1.8 C/C=C/CSCc1ccccn1 62a_100000721315_100102629194 [0,2,0,0,0,0|1,1,0]=4 12705 B12R1.8 C/C=C/CSCc1ccccn1 62a_100102629194_100000721315 [0,2,0,0,0,0|1,1,0]=4 12706 B12R1.8 C/C=C/CSCc1cccnc1 62a_100000741622_100102629194 [0,2,0,0,0,0|1,1,0]=4 12707 B12R1.8 C/C=C/CSCc1cccnc1 62a_100102629194_100000741622 [0,2,0,0,0,0|1,1,0]=4 12708 B12R1.8 C/C=C/CSCc1ccncc1 62a_100015193705_100102629194 [0,2,0,0,0,0|1,1,0]=4 12709 B12R1.8 C/C=C/CSCc1ccncc1 62a_100102629194_100015193705 [0,2,0,0,0,0|1,1,0]=4 12710 B12R1.8 C=CCCCNc1ccccc1 34a_100000106764_100000757094 [0,2,0,0,0,0|1,0,0]=3 12711 B12R1.8 C=CCCCOc1ccccc1 34a_100000210340_100000757094 [0,2,0,0,0,0|0,0,0]=2 12712 B12R1.8 C=CCCCOc1ccccc1 7a_100000210340_100000757094 [0,2,0,0,0,0|0,0,0]=2 12713 B12R1.8 C=CCCCOc1cccnc1 34a_100000210849_100000757094 [0,2,0,0,0,0|1,0,0]=3 12714 B12R1.8 C=CCCCOc1cccnc1 7a_100000210849_100000757094 [0,2,0,0,0,0|1,0,0]=3 12715 B12R1.8 C=CCCCOc1ccncc1 34a_100000212176_100000757094 [0,2,0,0,0,0|1,0,0]=3 12716 B12R1.8 C=CCCCOc1ccnnc1 34a_100015204005_100000757094 [0,2,0,0,0,0|2,0,0]=4 12717 B12R1.8 C=CCCCOc1cncnc1 7a_100000754086_100000757094 [0,2,0,0,0,0|2,0,0]=4 12718 B12R1.8 C=CCCCSc1ccccc1 62a_100000719477_100000757094 [0,2,0,0,0,0|0,1,0]=3 12719 B12R1.8 C=CCCCSc1ccccc1 62a_100011713584_100000041952 [0,2,0,0,0,0|0,1,0]=3 12720 B12R1.8 C=CCCCSc1ccccn1 62a_100011216584_100000757094 [0,2,0,0,0,0|1,1,0]=4 12721 B12R1.8 C=CCCCSc1ccccn1 62a_100011713584_100011216584 [0,2,0,0,0,0|1,1,0]=4 12722 B12R1.8 C=CCCCSc1cccnc1 62a_100000210063_100000757094 [0,2,0,0,0,0|1,1,0]=4 12723 B12R1.8 C=CCCCSc1cccnc1 62a_100011713584_100000210063 [0,2,0,0,0,0|1,1,0]=4 12724 B12R1.8 C=CCCCSc1ccncc1 62a_100000728582_100000757094 [0,2,0,0,0,0|1,1,0]=4 12725 B12R1.8 C=CCCCSc1ccncc1 62a_100011713584_100000728582 [0,2,0,0,0,0|1,1,0]=4 12726 B12R1.8 C=CCCNCc1ccccc1 207a_100015191253_100015611070 [0,2,0,0,0,0|1,0,0]=3 12727 B12R1.8 C=CCCNCc1ccccc1 2230a_100015191253_100015291786 [0,2,0,0,0,0|1,0,0]=3 12728 B12R1.8 C=CCCNCc1ccccc1 2230a_100015324214_100000754431 [0,2,0,0,0,0|1,0,0]=3 12729 B12R1.8 C=CCCNCc1ccccc1 270004a_100015191253_100015611070 [0,2,0,0,0,0|1,0,0]=3 12730 B12R1.8 C=CCCNCc1ccccc1 34a_100015324214_100000754431 [0,2,0,0,0,0|1,0,0]=3 12731 B12R1.8 C=CCCNCc1ccccn1 207a_100015191253_100000209966 [0,2,0,0,0,0|2,0,0]=4 12732 B12R1.8 C=CCCNCc1ccccn1 2230a_100015191253_100000721315 [0,2,0,0,0,0|2,0,0]=4 12733 B12R1.8 C=CCCNCc1ccccn1 270004a_100015191253_100000209966 [0,2,0,0,0,0|2,0,0]=4 12734 B12R1.8 C=CCCNCc1cccnc1 207a_100015191253_100000209961 [0,2,0,0,0,0|2,0,0]=4 12735 B12R1.8 C=CCCNCc1cccnc1 2230a_100015191253_100000741622 [0,2,0,0,0,0|2,0,0]=4 12736 B12R1.8 C=CCCNCc1cccnc1 270004a_100015191253_100000209961 [0,2,0,0,0,0|2,0,0]=4 12737 B12R1.8 C=CCCNCc1ccncc1 207a_100015191253_100000186114 [0,2,0,0,0,0|2,0,0]=4 12738 B12R1.8 C=CCCNCc1ccncc1 2230a_100015191253_100015193705 [0,2,0,0,0,0|2,0,0]=4 12739 B12R1.8 C=CCCOCc1ccccc1 34a_100000210790_100000754431 [0,2,0,0,0,0|0,0,0]=2 12740 B12R1.8 C=CCCOCc1ccccc1 34a_100011205117_100015291786 [0,2,0,0,0,0|0,0,0]=2 12741 B12R1.8 C=CCCOCc1ccccc1 7a_100000210790_100000754431 [0,2,0,0,0,0|0,0,0]=2 12742 B12R1.8 C=CCCOCc1ccccn1 34a_100011205117_100000721315 [0,2,0,0,0,0|1,0,0]=3 12743 B12R1.8 C=CCCOCc1cccnc1 34a_100011205117_100000733263 [0,2,0,0,0,0|1,0,0]=3 12744 B12R1.8 C=CCCOCc1cccnn1 34a_100011205117_100016990269 [0,2,0,0,0,0|2,0,0]=4 12745 B12R1.8 C=CCCOCc1cnccn1 34a_100011205117_100016995436 [0,2,0,0,0,0|2,0,0]=4 12746 B12R1.8 C=CCCOCc1cncnc1 34a_100011205117_100015196519 [0,2,0,0,0,0|2,0,0]=4 12747 B12R1.8 C=CCCOCc1ncccn1 34a_100011205117_100000703007 [0,2,0,0,0,0|2,0,0]=4 12748 B12R1.8 C=CCCSCc1ccccc1 62a_100000211182_100000754431 [0,2,0,0,0,0|0,1,0]=3 12749 B12R1.8 C=CCCSCc1ccccc1 62a_100000754431_100015291786 [0,2,0,0,0,0|0,1,0]=3 12750 B12R1.8 C=CCCSCc1ccccn1 62a_100000721315_100000754431 [0,2,0,0,0,0|1,1,0]=4 12751 B12R1.8 C=CCCSCc1ccccn1 62a_100000754431_100000721315 [0,2,0,0,0,0|1,1,0]=4 12752 B12R1.8 C=CCCSCc1cccnc1 62a_100000741622_100000754431 [0,2,0,0,0,0|1,1,0]=4 12753 B12R1.8 C=CCCSCc1cccnc1 62a_100000754431_100000741622 [0,2,0,0,0,0|1,1,0]=4 12754 B12R1.8 C=CCCSCc1ccncc1 62a_100000754431_100015193705 [0,2,0,0,0,0|1,1,0]=4 12755 B12R1.8 C=CCCSCc1ccncc1 62a_100015193705_100000754431 [0,2,0,0,0,0|1,1,0]=4 12756 B12R1.8 C=CCNCCc1ccccc1 2230a_100000106460_100000210623 [0,2,0,0,0,0|1,0,0]=3 12757 B12R1.8 C=CCNCCc1ccccc1 2230a_100020586998_100000765856 [0,2,0,0,0,0|1,0,0]=3 12758 B12R1.8 C=CCNCCc1ccccc1 34a_100000106460_100015514636 [0,2,0,0,0,0|1,0,0]=3 12759 B12R1.8 C=CCNCCc1ccccn1 2230a_100020586998_100015183660 [0,2,0,0,0,0|2,0,0]=4 12760 B12R1.8 C=CCNCCc1cccnc1 2230a_100000736294_100000210623 [0,2,0,0,0,0|2,0,0]=4 12761 B12R1.8 C=CCNCCc1cccnc1 2230a_100020586998_200011713674 [0,2,0,0,0,0|2,0,0]=4 12762 B12R1.8 C=CCNCCc1ccncc1 2230a_100020586998_100000723409 [0,2,0,0,0,0|2,0,0]=4 12763 B12R1.8 C=CCNCSc1ccccc1 2230a_100020586998_100011218342 [0,2,0,0,0,0|0,1,0]=3 12764 B12R1.8 C=CCOCCc1ccccc1 34a_100000210268_100015514636 [0,2,0,0,0,0|0,0,0]=2 12765 B12R1.8 C=CCOCCc1ccccc1 34a_200000210373_100000765856 [0,2,0,0,0,0|0,0,0]=2 12766 B12R1.8 C=CCOCCc1ccccc1 7a_100000210268_100015514636 [0,2,0,0,0,0|0,0,0]=2 12767 B12R1.8 C=CCOCCc1ccccn1 34a_100000210271_100015514636 [0,2,0,0,0,0|1,0,0]=3 12768 B12R1.8 C=CCOCCc1cccnc1 34a_100011217484_100015514636 [0,2,0,0,0,0|1,0,0]=3 12769 B12R1.8 C=CCOCCc1ccncc1 34a_100011216225_100015514636 [0,2,0,0,0,0|1,0,0]=3 12770 B12R1.8 C=CCOCCc1cnccn1 34a_100011349526_100015514636 [0,2,0,0,0,0|2,0,0]=4 12771 B12R1.8 C=CCOCCc1cncnc1 34a_100011709255_100015514636 [0,2,0,0,0,0|2,0,0]=4 12772 B12R1.8 C=CCSCCc1ccccc1 62a_100000210623_100011218657 [0,2,0,0,0,0|0,1,0]=3 12773 B12R1.8 C=CCSCCc1ccccc1 62a_100000765856_100000210623 [0,2,0,0,0,0|0,1,0]=3 12774 B12R1.8 C=CCSCCc1ccccn1 62a_100000210623_100015183660 [0,2,0,0,0,0|1,1,0]=4 12775 B12R1.8 C=CCSCCc1ccccn1 62a_100015183660_100000210623 [0,2,0,0,0,0|1,1,0]=4 12776 B12R1.8 C=CCSCCc1cccnc1 62a_100000210623_200011713674 [0,2,0,0,0,0|1,1,0]=4 12777 B12R1.8 C=CCSCCc1cccnc1 62a_200011713674_100000210623 [0,2,0,0,0,0|1,1,0]=4 12778 B12R1.8 C=CCSCCc1ccncc1 62a_100000210623_100000723409 [0,2,0,0,0,0|1,1,0]=4 12779 B12R1.8 C=CCSCCc1ccncc1 62a_100000723409_100000210623 [0,2,0,0,0,0|1,1,0]=4 12780 B12R1.8 C=CCSCSc1ccccc1 62a_100000210623_100011218342 [0,2,0,0,0,0|0,1,0]=3 12781 B12R1.8 C=CCSCSc1ccccc1 62a_100011218342_100000210623 [0,2,0,0,0,0|0,1,0]=3 12782 B12R1.8 C=COCCNc1ccccc1 34a_100000106764_100000039644 [0,2,0,0,0,0|1,0,0]=3 12783 B12R1.8 C=COCCOc1ccccc1 34a_100000210340_100000039644 [0,2,0,0,0,0|0,0,0]=2 12784 B12R1.8 C=COCCOc1ccccc1 7a_100000210340_100000039644 [0,2,0,0,0,0|0,0,0]=2 12785 B12R1.8 C=COCCOc1cccnc1 34a_100000210849_100000039644 [0,2,0,0,0,0|1,0,0]=3 12786 B12R1.8 C=COCCOc1cccnc1 7a_100000210849_100000039644 [0,2,0,0,0,0|1,0,0]=3 12787 B12R1.8 C=COCCOc1ccncc1 34a_100000212176_100000039644 [0,2,0,0,0,0|1,0,0]=3 12788 B12R1.8 C=COCCOc1ccnnc1 34a_100015204005_100000039644 [0,2,0,0,0,0|2,0,0]=4 12789 B12R1.8 C=COCCOc1cncnc1 7a_100000754086_100000039644 [0,2,0,0,0,0|2,0,0]=4 12790 B12R1.8 C=COCCSc1ccccc1 62a_100000039644_100000041952 [0,2,0,0,0,0|0,1,0]=3 12791 B12R1.8 C=COCCSc1ccccc1 62a_100000719477_100000039644 [0,2,0,0,0,0|0,1,0]=3 12792 B12R1.8 C=COCCSc1ccccn1 62a_100000039644_100011216584 [0,2,0,0,0,0|1,1,0]=4 12793 B12R1.8 C=COCCSc1ccccn1 62a_100011216584_100000039644 [0,2,0,0,0,0|1,1,0]=4 12794 B12R1.8 C=COCCSc1cccnc1 62a_100000039644_100000210063 [0,2,0,0,0,0|1,1,0]=4 12795 B12R1.8 C=COCCSc1cccnc1 62a_100000210063_100000039644 [0,2,0,0,0,0|1,1,0]=4 12796 B12R1.8 C=COCCSc1ccncc1 62a_100000039644_100000728582 [0,2,0,0,0,0|1,1,0]=4 12797 B12R1.8 C=COCCSc1ccncc1 62a_100000728582_100000039644 [0,2,0,0,0,0|1,1,0]=4 12798 B12R1.8 CC#CCOCc1ccccc1 34a_100000210790_100000748600 [0,2,0,0,0,0|0,0,2]=4 12799 B12R1.8 CC#CCOCc1ccccc1 34a_100000761923_100015291786 [0,2,0,0,0,0|0,0,2]=4 12800 B12R1.8 CC#CCOCc1ccccc1 7a_100000210790_100000748600 [0,2,0,0,0,0|0,0,2]=4 12801 B12R1.8 CC/C=C\CNc1ccccc1 34a_100000106764_100103147603 [0,2,0,0,0,0|1,0,0]=3 12802 B12R1.8 CC/C=C\COc1ccccc1 34a_100000210340_100103147603 [0,2,0,0,0,0|0,0,0]=2 12803 B12R1.8 CC/C=C\COc1ccccc1 7a_100000210340_100103147603 [0,2,0,0,0,0|0,0,0]=2 12804 B12R1.8 CC/C=C\COc1cccnc1 34a_100000210849_100103147603 [0,2,0,0,0,0|1,0,0]=3 12805 B12R1.8 CC/C=C\COc1cccnc1 7a_100000210849_100103147603 [0,2,0,0,0,0|1,0,0]=3 12806 B12R1.8 CC/C=C\COc1ccncc1 34a_100000212176_100103147603 [0,2,0,0,0,0|1,0,0]=3 12807 B12R1.8 CC/C=C\COc1ccnnc1 34a_100015204005_100103147603 [0,2,0,0,0,0|2,0,0]=4 12808 B12R1.8 CC/C=C\COc1cncnc1 7a_100000754086_100103147603 [0,2,0,0,0,0|2,0,0]=4 12809 B12R1.8 CC/C=C\CSc1ccccc1 62a_100000719477_100103147603 [0,2,0,0,0,0|0,1,0]=3 12810 B12R1.8 CC/C=C\CSc1ccccc1 62a_100103147603_100000041952 [0,2,0,0,0,0|0,1,0]=3 12811 B12R1.8 CC/C=C\CSc1ccccn1 62a_100011216584_100103147603 [0,2,0,0,0,0|1,1,0]=4 12812 B12R1.8 CC/C=C\CSc1ccccn1 62a_100103147603_100011216584 [0,2,0,0,0,0|1,1,0]=4 12813 B12R1.8 CC/C=C\CSc1cccnc1 62a_100000210063_100103147603 [0,2,0,0,0,0|1,1,0]=4 12814 B12R1.8 CC/C=C\CSc1cccnc1 62a_100103147603_100000210063 [0,2,0,0,0,0|1,1,0]=4 12815 B12R1.8 CC/C=C\CSc1ccncc1 62a_100000728582_100103147603 [0,2,0,0,0,0|1,1,0]=4 12816 B12R1.8 CC/C=C\CSc1ccncc1 62a_100103147603_100000728582 [0,2,0,0,0,0|1,1,0]=4 12817 B12R1.8 CC=CCNCc1ccccc1 2230a_100015324214_100000070051 [0,2,0,0,0,0|1,0,0]=3 12818 B12R1.8 CC=CCNCc1ccccc1 34a_100015324214_100000070051 [0,2,0,0,0,0|1,0,0]=3 12819 B12R1.8 CC=CCOCc1ccccc1 34a_100000210790_100000070051 [0,2,0,0,0,0|0,0,0]=2 12820 B12R1.8 CC=CCOCc1ccccc1 7a_100000210790_100000070051 [0,2,0,0,0,0|0,0,0]=2 12821 B12R1.8 CC=CCSCc1ccccc1 62a_100000070051_100015291786 [0,2,0,0,0,0|0,1,0]=3 12822 B12R1.8 CC=CCSCc1ccccc1 62a_100000211182_100000070051 [0,2,0,0,0,0|0,1,0]=3 12823 B12R1.8 CC=CCSCc1ccccn1 62a_100000070051_100000721315 [0,2,0,0,0,0|1,1,0]=4 12824 B12R1.8 CC=CCSCc1ccccn1 62a_100000721315_100000070051 [0,2,0,0,0,0|1,1,0]=4 12825 B12R1.8 CC=CCSCc1cccnc1 62a_100000070051_100000741622 [0,2,0,0,0,0|1,1,0]=4 12826 B12R1.8 CC=CCSCc1cccnc1 62a_100000741622_100000070051 [0,2,0,0,0,0|1,1,0]=4 12827 B12R1.8 CC=CCSCc1ccncc1 62a_100000070051_100015193705 [0,2,0,0,0,0|1,1,0]=4 12828 B12R1.8 CC=CCSCc1ccncc1 62a_100015193705_100000070051 [0,2,0,0,0,0|1,1,0]=4 12829 B12R1.8 CC=NNCCc1ccccc1 4a_100000740470_200000210099 [0,2,0,0,0,0|1,0,1]=4 12830 B12R1.8 CCC#CCOc1ccccc1 34a_100000210340_100009813939 [0,2,0,0,0,0|0,0,2]=4 12831 B12R1.8 CCC#CCOc1ccccc1 7a_100000210340_100009813939 [0,2,0,0,0,0|0,0,2]=4 12832 B12R1.8 CCCCCOc1ccccc1 34a_100000210340_100000718602 [0,2,0,0,0,0|0,0,2]=4 12833 B12R1.8 CCCCCOc1ccccc1 7a_100000210340_100000210326 [0,2,0,0,0,0|0,0,2]=4 12834 B12R1.8 CCCCOCc1ccccc1 34a_100000210227_100015291786 [0,2,0,0,0,0|0,0,2]=4 12835 B12R1.8 CCCCOCc1ccccc1 34a_100000210790_100000210210 [0,2,0,0,0,0|0,0,2]=4 12836 B12R1.8 CCCCOCc1ccccc1 7a_100000210227_100000211182 [0,2,0,0,0,0|0,0,2]=4 12837 B12R1.8 CCCCOCc1ccccc1 7a_100000210790_100000210211 [0,2,0,0,0,0|0,0,2]=4 12838 B12R1.8 CCCOCCc1ccccc1 34a_100000210258_100000765856 [0,2,0,0,0,0|0,0,2]=4 12839 B12R1.8 CCCOCCc1ccccc1 34a_100000210268_100000210303 [0,2,0,0,0,0|0,0,2]=4 12840 B12R1.8 CCCOCCc1ccccc1 7a_100000210268_100000210303 [0,2,0,0,0,0|0,0,2]=4 12841 B12R1.8 CCNCCOc1ccccc1 2230a_100000174943_100000210202 [0,2,0,0,0,0|0,0,2]=4 12842 B12R1.8 CCNCCOc1ccccc1 2230a_100015525214_100000184471 [0,2,0,0,0,0|0,0,2]=4 12843 B12R1.8 CCNCCOc1ccccc1 270004a_100015525214_100000758736 [0,2,0,0,0,0|0,0,2]=4 12844 B12R1.8 CCNCCOc1ccccc1 34a_100000174943_100000210202 [0,2,0,0,0,0|0,0,2]=4 12845 B12R1.8 CCNCOCc1ccccc1 2230a_100015525214_100000763385 [0,2,0,0,0,0|0,0,2]=4 12846 B12R1.8 CCOCCOc1ccccc1 34a_100000210260_100000210202 [0,2,0,0,0,0|0,0,2]=4 12847 B12R1.8 CCOCCOc1ccccc1 34a_100000210340_100000210147 [0,2,0,0,0,0|0,0,2]=4 12848 B12R1.8 CCOCCOc1ccccc1 34a_100121572206_100000184471 [0,2,0,0,0,0|0,0,2]=4 12849 B12R1.8 CCOCCOc1ccccc1 7a_100000210260_100000210202 [0,2,0,0,0,0|0,0,2]=4 12850 B12R1.8 CCOCCOc1ccccc1 7a_100000210340_100011215890 [0,2,0,0,0,0|0,0,2]=4 12851 B12R1.8 CCOCOCc1ccccc1 34a_100121572206_100000763385 [0,2,0,0,0,0|0,0,2]=4 12852 B12R1.8 CCSCCOc1ccccc1 34a_100000210340_100000757381 [0,2,0,0,0,0|0,0,2]=4 12853 B12R1.8 CCSCCOc1ccccc1 62a_100000184471_100000210202 [0,2,0,0,0,0|0,0,2]=4 12854 B12R1.8 CCSCCOc1ccccc1 62a_100000210202_100000184471 [0,2,0,0,0,0|0,0,2]=4 12855 B12R1.8 CCSCCOc1ccccc1 7a_100000210340_100000757381 [0,2,0,0,0,0|0,0,2]=4 12856 B12R1.8 CCSCOCc1ccccc1 62a_100000210202_100000763385 [0,2,0,0,0,0|0,0,2]=4 12857 B12R1.8 CCSCOCc1ccccc1 62a_100000763385_100000210202 [0,2,0,0,0,0|0,0,2]=4 12858 B12R1.8 CNCCCOc1ccccc1 2230a_100000216521_200000210301 [0,2,0,0,0,0|0,0,2]=4 12859 B12R1.8 CNCCCOc1ccccc1 2230a_106832991635_100000199009 [0,2,0,0,0,0|0,0,2]=4 12860 B12R1.8 CNCCCOc1ccccc1 34a_100000216521_200000210301 [0,2,0,0,0,0|0,0,2]=4 12861 B12R1.8 CNCCCOc1ccccc1 34a_100102657272_100000199009 [0,2,0,0,0,0|0,0,2]=4 12862 B12R1.8 CNCCCOc1ccccc1 7a_106832991635_100000199009 [0,2,0,0,0,0|0,0,2]=4 12863 B12R1.8 CNCCOCc1ccccc1 2230a_100000753106_200000210301 [0,2,0,0,0,0|0,0,2]=4 12864 B12R1.8 CNCCOCc1ccccc1 2230a_106832991635_100000234347 [0,2,0,0,0,0|0,0,2]=4 12865 B12R1.8 CNCCOCc1ccccc1 34a_100000753106_200000210301 [0,2,0,0,0,0|0,0,2]=4 12866 B12R1.8 CNCCOCc1ccccc1 34a_100102657272_100000234347 [0,2,0,0,0,0|0,0,2]=4 12867 B12R1.8 CNCCOCc1ccccc1 7a_106832991635_100000234347 [0,2,0,0,0,0|0,0,2]=4 12868 B12R1.8 COCCCOc1ccccc1 34a_100000210340_100000740836 [0,2,0,0,0,0|0,0,2]=4 12869 B12R1.8 COCCCOc1ccccc1 34a_100011215863_200000210301 [0,2,0,0,0,0|0,0,2]=4 12870 B12R1.8 COCCCOc1ccccc1 34a_100138415774_100000199009 [0,2,0,0,0,0|0,0,2]=4 12871 B12R1.8 COCCCOc1ccccc1 7a_100000210340_100000740836 [0,2,0,0,0,0|0,0,2]=4 12872 B12R1.8 COCCCOc1ccccc1 7a_100011215863_200000210301 [0,2,0,0,0,0|0,0,2]=4 12873 B12R1.8 COCCOCc1ccccc1 34a_100000210237_100015291786 [0,2,0,0,0,0|0,0,2]=4 12874 B12R1.8 COCCOCc1ccccc1 34a_100000210790_100011201679 [0,2,0,0,0,0|0,0,2]=4 12875 B12R1.8 COCCOCc1ccccc1 34a_100000759325_200000210301 [0,2,0,0,0,0|0,0,2]=4 12876 B12R1.8 COCCOCc1ccccc1 34a_100138415774_100000234347 [0,2,0,0,0,0|0,0,2]=4 12877 B12R1.8 COCCOCc1ccccc1 7a_100000210790_100000233755 [0,2,0,0,0,0|0,0,2]=4 12878 B12R1.8 COCCOCc1ccccc1 7a_100000759325_200000210301 [0,2,0,0,0,0|0,0,2]=4 12879 B12R1.8 CSCCCOc1ccccc1 62a_100000199009_200000210301 [0,2,0,0,0,0|0,0,2]=4 12880 B12R1.8 CSCCCOc1ccccc1 62a_200000210301_100000199009 [0,2,0,0,0,0|0,0,2]=4 12881 B12R1.8 CSCCOCc1ccccc1 34a_100000210790_100000212216 [0,2,0,0,0,0|0,0,2]=4 12882 B12R1.8 CSCCOCc1ccccc1 34a_100000230434_100015291786 [0,2,0,0,0,0|0,0,2]=4 12883 B12R1.8 CSCCOCc1ccccc1 62a_100000234347_200000210301 [0,2,0,0,0,0|0,0,2]=4 12884 B12R1.8 CSCCOCc1ccccc1 62a_200000210301_100000234347 [0,2,0,0,0,0|0,0,2]=4 12885 B12R1.8 CSCCOCc1ccccc1 7a_100000210790_100000212216 [0,2,0,0,0,0|0,0,2]=4 12886 B12R1.8 CSCCOCc1ccccc1 7a_100000230434_100000211182 [0,2,0,0,0,0|0,0,2]=4 12887 B12R1.8 CSCOCCc1ccccc1 34a_100000210268_100011218213 [0,2,0,0,0,0|1,0,1]=4 12888 B12R1.8 ClCCCOCc1ccccc1 34a_100000230001_100015291786 [0,2,0,0,0,0|0,0,2]=4 12889 B12R1.8 FCCCCOc1ccccc1 34a_100000210340_100000729493 [0,2,0,0,0,0|0,0,2]=4 12890 B12R1.8 FCCCCOc1ccccc1 7a_100000210340_100000729493 [0,2,0,0,0,0|0,0,2]=4 12891 B12R1.8 FCCCOCc1ccccc1 34a_100000210790_100011934791 [0,2,0,0,0,0|0,0,2]=4 12892 B12R1.8 FCCCOCc1ccccc1 34a_100000759539_100015291786 [0,2,0,0,0,0|0,0,2]=4 12893 B12R1.8 FCCCOCc1ccccc1 7a_100000210790_100011934791 [0,2,0,0,0,0|0,0,2]=4 12894 B12R1.8 FCCOCCc1ccccc1 34a_100000210268_100011217306 [0,2,0,0,0,0|1,0,1]=4 12895 B12R1.8 FCCOCCc1ccccc1 7a_100000210268_100011217306 [0,2,0,0,0,0|1,0,1]=4 12896 B12R1.8 FCNCCOc1ccccc1 34a_100000174943_100015361967 [0,2,0,0,0,0|0,0,2]=4 12897 B12R1.8 FCOCCOc1ccccc1 34a_100000210260_100015361967 [0,2,0,0,0,0|0,0,2]=4 12898 B12R1.8 FCOCCOc1ccccc1 7a_100000210260_100015361967 [0,2,0,0,0,0|0,0,2]=4 12899 B12R1.8 FCSCCOc1ccccc1 62a_100000184471_100015361967 [0,2,0,0,0,0|0,0,2]=4 12900 B12R1.8 FCSCCOc1ccccc1 62a_100015361967_100000184471 [0,2,0,0,0,0|0,0,2]=4 12901 B12R1.8 FCSCOCc1ccccc1 62a_100000763385_100015361967 [0,2,0,0,0,0|1,0,1]=4 12902 B12R1.8 FCSCOCc1ccccc1 62a_100015361967_100000763385 [0,2,0,0,0,0|1,0,1]=4 12903 B12R1.8 N#CCCCOc1ccccc1 7a_100000210340_100000687738 [0,2,0,0,0,0|0,0,2]=4 12904 B12R1.8 N#CCCOCc1ccccc1 7a_100000210790_100000184422 [0,2,0,0,0,0|0,0,2]=4 12905 B12R1.8 N#CCOCCc1ccccc1 7a_100000210268_100011215382 [0,2,0,0,0,0|1,0,1]=4 12906 B12R1.8 NCCCOCc1ccccc1 34a_100000182051_100015291786 [0,2,0,0,0,0|0,0,2]=4 12907 B12R1.8 NCCOCCc1ccccc1 34a_100000210304_100000765856 [0,2,0,0,0,0|1,0,1]=4 12908 B12R1.8 NOCCOCc1ccccc1 34a_100000700252_100015291786 [0,2,0,0,0,0|1,0,1]=4 12909 B12R1.8 O=CCCCOc1ccccc1 7a_100000210340_200011292268 [0,2,0,0,0,0|0,0,1]=3 12910 B12R1.8 O=CCCCOc1cccnc1 7a_100000210849_200011292268 [0,2,0,0,0,0|1,0,1]=4 12911 B12R1.8 O=CCCCSc1ccccc1 62a_100000719477_200011292268 [0,2,0,0,0,0|0,1,1]=4 12912 B12R1.8 O=CCCCSc1ccccc1 62a_200011292268_100000041952 [0,2,0,0,0,0|0,1,1]=4 12913 B12R1.8 O=CCNCCc1ccccc1 2230a_100000106460_200015260668 [0,2,0,0,0,0|1,0,1]=4 12914 B12R1.8 O=CCNCCc1ccccc1 34a_100000106460_200009817547 [0,2,0,0,0,0|1,0,1]=4 12915 B12R1.8 O=CCOCCc1ccccc1 34a_100000210268_200009817547 [0,2,0,0,0,0|1,0,0]=3 12916 B12R1.8 O=CCOCCc1ccccc1 7a_100000210268_200015260668 [0,2,0,0,0,0|1,0,0]=3 12917 B12R1.8 O=CCOCCc1ccccn1 34a_100000210271_200009817547 [0,2,0,0,0,0|2,0,0]=4 12918 B12R1.8 O=CCOCCc1cccnc1 34a_100011217484_200009817547 [0,2,0,0,0,0|2,0,0]=4 12919 B12R1.8 O=CCOCCc1ccncc1 34a_100011216225_200009817547 [0,2,0,0,0,0|2,0,0]=4 12920 B12R1.8 O=CCSCCc1ccccc1 62a_100000765856_200015260668 [0,2,0,0,0,0|1,0,1]=4 12921 B12R1.8 O=CCSCCc1ccccc1 62a_200015260668_100011218657 [0,2,0,0,0,0|1,0,1]=4 12922 B12R1.8 O=CCSCSc1ccccc1 62a_100011218342_200015260668 [0,2,0,0,0,0|0,1,1]=4 12923 B12R1.8 O=CCSCSc1ccccc1 62a_200015260668_100011218342 [0,2,0,0,0,0|0,1,1]=4 12924 B12R1.8 OCC#CCOc1ccccc1 34a_100000210340_200000047223 [0,2,0,0,0,0|0,0,2]=4 12925 B12R1.8 OCC#CCOc1ccccc1 7a_100000210340_200000047223 [0,2,0,0,0,0|0,0,2]=4 12926 B12R1.8 OCCCCOc1ccccc1 34a_100000210340_100011216708 [0,2,0,0,0,0|0,0,2]=4 12927 B12R1.8 OCCCCOc1ccccc1 7a_100000210340_100000210776 [0,2,0,0,0,0|0,0,2]=4 12928 B12R1.8 OCCCOCc1ccccc1 34a_100000210790_100000230001 [0,2,0,0,0,0|0,0,2]=4 12929 B12R1.8 OCCCOCc1ccccc1 7a_100000210790_100011215043 [0,2,0,0,0,0|0,0,2]=4 12930 B12R1.8 OCCOCCc1ccccc1 34a_100000210268_100000211926 [0,2,0,0,0,0|1,0,1]=4 12931 B12R1.8 OCCOCCc1ccccc1 7a_100000210268_100000211926 [0,2,0,0,0,0|1,0,1]=4 12932 B12R1.8 [13CH3]NCCCOc1ccccc1 2230a_100000216521_200025704644 [0,2,0,0,0,0|0,0,2]=4 12933 B12R1.8 [13CH3]NCCCOc1ccccc1 34a_100000216521_200025704644 [0,2,0,0,0,0|0,0,2]=4 12934 B12R1.8 [13CH3]NCCOCc1ccccc1 2230a_100000753106_200025704644 [0,2,0,0,0,0|0,0,2]=4 12935 B12R1.8 [13CH3]NCCOCc1ccccc1 34a_100000753106_200025704644 [0,2,0,0,0,0|0,0,2]=4 12936 B12R1.8 [13CH3]OCCCOc1ccccc1 34a_100011215863_200025704644 [0,2,0,0,0,0|0,0,2]=4 12937 B12R1.8 [13CH3]OCCCOc1ccccc1 7a_100011215863_200025704644 [0,2,0,0,0,0|0,0,2]=4 12938 B12R1.8 [13CH3]OCCOCc1ccccc1 34a_100000759325_200025704644 [0,2,0,0,0,0|0,0,2]=4 12939 B12R1.8 [13CH3]OCCOCc1ccccc1 7a_100000759325_200025704644 [0,2,0,0,0,0|0,0,2]=4 12940 B12R1.8 [13CH3]SCCCOc1ccccc1 62a_100000199009_200025704644 [0,2,0,0,0,0|0,0,2]=4 12941 B12R1.8 [13CH3]SCCCOc1ccccc1 62a_200025704644_100000199009 [0,2,0,0,0,0|0,0,2]=4 12942 B12R1.8 [13CH3]SCCOCc1ccccc1 62a_100000234347_200025704644 [0,2,0,0,0,0|0,0,2]=4 12943 B12R1.8 [13CH3]SCCOCc1ccccc1 62a_200025704644_100000234347 [0,2,0,0,0,0|0,0,2]=4 12944 B12R1.27 C#CC(=O)CCc1ccccc1 1458a_100000211873_100000765856 [0,2,0,0,0,0|1,0,1]=4 12945 B12R1.27 C#CC(C)OCc1ccccc1 34a_100000210790_200000035995 [0,2,0,0,0,0|0,0,2]=4 12946 B12R1.27 C#C[C@@H](C)OCc1ccccc1 34a_100009815206_100015291786 [0,2,0,0,0,0|0,0,2]=4 12947 B12R1.27 C#C[C@@H](C)OCc1ccccc1 7a_100009815206_100000211182 [0,2,0,0,0,0|0,0,2]=4 12948 B12R1.27 C=C(C#N)CNc1ccccc1 34a_100000106764_100000694840 [0,2,0,0,0,0|1,0,0]=3 12949 B12R1.27 C=C(C#N)COc1ccccc1 34a_100000210340_100000694840 [0,2,0,0,0,0|0,0,0]=2 12950 B12R1.27 C=C(C#N)COc1cccnc1 34a_100000210849_100000694840 [0,2,0,0,0,0|1,0,0]=3 12951 B12R1.27 C=C(C#N)COc1ccncc1 34a_100000212176_100000694840 [0,2,0,0,0,0|1,0,0]=3 12952 B12R1.27 C=C(C#N)COc1ccnnc1 34a_100015204005_100000694840 [0,2,0,0,0,0|2,0,0]=4 12953 B12R1.27 C=C(C#N)CSc1ccccc1 62a_100000719477_100000694840 [0,2,0,0,0,0|0,1,0]=3 12954 B12R1.27 C=C(C#N)CSc1ccccn1 62a_100011216584_100000694840 [0,2,0,0,0,0|1,1,0]=4 12955 B12R1.27 C=C(C#N)CSc1cccnc1 62a_100000210063_100000694840 [0,2,0,0,0,0|1,1,0]=4 12956 B12R1.27 C=C(C#N)CSc1ccncc1 62a_100000728582_100000694840 [0,2,0,0,0,0|1,1,0]=4 12957 B12R1.27 C=CC(=NNc1ccccc1)C 4a_100015195140_200015361842 [0,2,0,0,0,0|1,0,1]=4 12958 B12R1.27 C=CC(=O)CCc1ccccc1 1458a_100000185746_100000765856 [0,2,0,0,0,0|1,0,0]=3 12959 B12R1.27 C=CC(=O)CCc1ccccn1 1458a_100000185746_100015183660 [0,2,0,0,0,0|2,0,0]=4 12960 B12R1.27 C=CC(=O)CCc1cccnc1 1458a_100000185746_200011713674 [0,2,0,0,0,0|2,0,0]=4 12961 B12R1.27 C=CC(=O)CCc1ccncc1 1458a_100000185746_100000723409 [0,2,0,0,0,0|2,0,0]=4 12962 B12R1.27 C=CC(=O)NCc1ccccc1 1626a_100015324214_100000185746 [0,2,0,0,0,0|1,0,1]=4 12963 B12R1.27 C=CC(=O)NCc1ccccc1 240690a_100015324214_200121576911 [0,2,0,0,0,0|1,0,1]=4 12964 B12R1.27 C=CC(=O)NNc1ccccc1 22a_100015195140_100000185746 [0,2,0,0,0,0|1,0,1]=4 12965 B12R1.27 C=CC(C)OCc1ccccc1 34a_100000695699_100015291786 [0,2,0,0,0,0|0,0,0]=2 12966 B12R1.27 C=CC(C)OCc1ccccn1 34a_100000695699_100000721315 [0,2,0,0,0,0|1,0,0]=3 12967 B12R1.27 C=CC(C)OCc1cccnc1 34a_100000695699_100000733263 [0,2,0,0,0,0|1,0,0]=3 12968 B12R1.27 C=CC(C)OCc1cccnn1 34a_100000695699_100016990269 [0,2,0,0,0,0|2,0,0]=4 12969 B12R1.27 C=CC(C)OCc1cnccn1 34a_100000695699_100016995436 [0,2,0,0,0,0|2,0,0]=4 12970 B12R1.27 C=CC(C)OCc1cncnc1 34a_100000695699_100015196519 [0,2,0,0,0,0|2,0,0]=4 12971 B12R1.27 C=CC(C)OCc1ncccn1 34a_100000695699_100000703007 [0,2,0,0,0,0|2,0,0]=4 12972 B12R1.27 C=CC(C)SCc1ccccc1 62a_100011215867_100015291786 [0,2,0,0,0,0|0,1,0]=3 12973 B12R1.27 C=CC(C)SCc1ccccn1 62a_100011215867_100000721315 [0,2,0,0,0,0|1,1,0]=4 12974 B12R1.27 C=CC(C)SCc1cccnc1 62a_100011215867_100000741622 [0,2,0,0,0,0|1,1,0]=4 12975 B12R1.27 C=CC(C)SCc1ccncc1 62a_100011215867_100015193705 [0,2,0,0,0,0|1,1,0]=4 12976 B12R1.27 C=CC(O)CNc1ccccc1 34a_100000106764_100000730141 [0,2,0,0,0,0|1,0,0]=3 12977 B12R1.27 C=CC(O)COc1ccccc1 34a_100000210340_100000730141 [0,2,0,0,0,0|0,0,0]=2 12978 B12R1.27 C=CC(O)COc1ccccc1 7a_100000210340_100000730141 [0,2,0,0,0,0|0,0,0]=2 12979 B12R1.27 C=CC(O)COc1cccnc1 34a_100000210849_100000730141 [0,2,0,0,0,0|1,0,0]=3 12980 B12R1.27 C=CC(O)COc1cccnc1 7a_100000210849_100000730141 [0,2,0,0,0,0|1,0,0]=3 12981 B12R1.27 C=CC(O)COc1ccncc1 34a_100000212176_100000730141 [0,2,0,0,0,0|1,0,0]=3 12982 B12R1.27 C=CC(O)COc1ccnnc1 34a_100015204005_100000730141 [0,2,0,0,0,0|2,0,0]=4 12983 B12R1.27 C=CC(O)COc1cncnc1 7a_100000754086_100000730141 [0,2,0,0,0,0|2,0,0]=4 12984 B12R1.27 C=CC(O)CSc1ccccc1 62a_100000719477_100000730141 [0,2,0,0,0,0|0,1,0]=3 12985 B12R1.27 C=CC(O)CSc1ccccc1 62a_100000730141_100000041952 [0,2,0,0,0,0|0,1,0]=3 12986 B12R1.27 C=CC(O)CSc1ccccn1 62a_100000730141_100011216584 [0,2,0,0,0,0|1,1,0]=4 12987 B12R1.27 C=CC(O)CSc1ccccn1 62a_100011216584_100000730141 [0,2,0,0,0,0|1,1,0]=4 12988 B12R1.27 C=CC(O)CSc1cccnc1 62a_100000210063_100000730141 [0,2,0,0,0,0|1,1,0]=4 12989 B12R1.27 C=CC(O)CSc1cccnc1 62a_100000730141_100000210063 [0,2,0,0,0,0|1,1,0]=4 12990 B12R1.27 C=CC(O)CSc1ccncc1 62a_100000728582_100000730141 [0,2,0,0,0,0|1,1,0]=4 12991 B12R1.27 C=CC(O)CSc1ccncc1 62a_100000730141_100000728582 [0,2,0,0,0,0|1,1,0]=4 12992 B12R1.27 CC(C#N)OCc1ccccc1 34a_100011218135_100015291786 [0,2,0,0,0,0|1,0,1]=4 12993 B12R1.27 CC(C#N)OCc1ccccc1 7a_100000210790_100000703298 [0,2,0,0,0,0|1,0,1]=4 12994 B12R1.27 CC(CF)OCc1ccccc1 34a_100016041109_100015291786 [0,2,0,0,0,0|1,0,1]=4 12995 B12R1.27 CC(CF)OCc1ccccc1 7a_100016041109_100000211182 [0,2,0,0,0,0|1,0,1]=4 12996 B12R1.27 CC(CN)OCc1ccccc1 34a_100000210904_100015291786 [0,2,0,0,0,0|1,0,1]=4 12997 B12R1.27 CC(CO)OCc1ccccc1 34a_100000210790_100012180447 [0,2,0,0,0,0|1,0,1]=4 12998 B12R1.27 CC(CO)OCc1ccccc1 7a_100000210790_100012180447 [0,2,0,0,0,0|1,0,1]=4 12999 B12R1.27 CC(COc1ccccc1)N[13CH3] 2230a_100000746794_200025704644 [0,2,0,0,0,0|0,0,2]=4 13000 B12R1.27 CC(COc1ccccc1)N[13CH3] 34a_100000746794_200025704644 [0,2,0,0,0,0|0,0,2]=4 13001 B12R1.27 CC(COc1ccccc1)O[13CH3] 34a_100000210911_200025704644 [0,2,0,0,0,0|0,0,2]=4 13002 B12R1.27 CC(COc1ccccc1)O[13CH3] 7a_100000210911_200025704644 [0,2,0,0,0,0|0,0,2]=4 13003 B12R1.27 CCC(=O)CCc1ccccc1 1458a_100000185753_100000210202 [0,2,0,0,0,0|1,0,1]=4 13004 B12R1.27 CCC(=O)CCc1ccccc1 1458a_100000210414_100000765856 [0,2,0,0,0,0|1,0,1]=4 13005 B12R1.27 CCC(=O)COc1ccccc1 1458a_100000186222_100000210202 [0,2,0,0,0,0|0,0,1]=3 13006 B12R1.27 CCC(=O)COc1ccccc1 7a_100000210340_100000747405 [0,2,0,0,0,0|0,0,1]=3 13007 B12R1.27 CCC(=O)COc1ccccn1 1458a_100102699861_100000210202 [0,2,0,0,0,0|1,0,1]=4 13008 B12R1.27 CCC(=O)COc1cccnc1 1458a_100015207166_100000210202 [0,2,0,0,0,0|1,0,1]=4 13009 B12R1.27 CCC(=O)COc1cccnc1 7a_100000210849_100000747405 [0,2,0,0,0,0|1,0,1]=4 13010 B12R1.27 CCC(=O)CSc1ccccc1 1458a_100000211596_100000210202 [0,2,0,0,0,0|0,1,1]=4 13011 B12R1.27 CCC(=O)CSc1ccccc1 62a_100000719477_100000747405 [0,2,0,0,0,0|0,1,1]=4 13012 B12R1.27 CCC(=O)CSc1ccccc1 62a_100000747405_100000041952 [0,2,0,0,0,0|0,1,1]=4 13013 B12R1.27 CCC(C)COc1ccccc1 34a_100000210340_100000748023 [0,2,0,0,0,0|0,0,2]=4 13014 B12R1.27 CCC(C)COc1ccccc1 7a_100000210340_100000748023 [0,2,0,0,0,0|0,0,2]=4 13015 B12R1.27 CCC(C)OCc1ccccc1 34a_100000210790_100011215416 [0,2,0,0,0,0|0,0,2]=4 13016 B12R1.27 CCC(C)OCc1ccccc1 7a_100000210228_100000211182 [0,2,0,0,0,0|0,0,2]=4 13017 B12R1.27 CCC(C)OCc1ccccc1 7a_100000210790_100000758301 [0,2,0,0,0,0|0,0,2]=4 13018 B12R1.27 CCC(O)COc1ccccc1 34a_100000210340_100011218378 [0,2,0,0,0,0|0,0,2]=4 13019 B12R1.27 CCC(O)COc1ccccc1 7a_100000210340_100011218378 [0,2,0,0,0,0|0,0,2]=4 13020 B12R1.27 CC[C@H](C)COc1ccccc1 34a_100000210340_100009816398 [0,2,0,0,0,0|0,0,2]=4 13021 B12R1.27 CC[C@H](C)COc1ccccc1 7a_100000210340_100009816398 [0,2,0,0,0,0|0,0,2]=4 13022 B12R1.27 CNC(=O)CCc1ccccc1 11a_106832991635_100000185753 [0,2,0,0,0,0|1,0,1]=4 13023 B12R1.27 CNC(=O)CCc1ccccc1 1626a_100102657272_100000185753 [0,2,0,0,0,0|1,0,1]=4 13024 B12R1.27 CNC(=O)CCc1ccccc1 240690a_100102657272_100000185753 [0,2,0,0,0,0|1,0,1]=4 13025 B12R1.27 CNC(=O)CCc1ccccc1 527a_100102657272_100000185753 [0,2,0,0,0,0|1,0,1]=4 13026 B12R1.27 CNC(=O)CNc1ccccc1 34a_100000106764_100000183359 [0,2,0,0,0,0|1,0,1]=4 13027 B12R1.27 CNC(=O)COc1ccccc1 11a_106832991635_100000186222 [0,2,0,0,0,0|0,0,1]=3 13028 B12R1.27 CNC(=O)COc1ccccc1 1626a_100102657272_100000186222 [0,2,0,0,0,0|0,0,1]=3 13029 B12R1.27 CNC(=O)COc1ccccc1 240690a_100102657272_100000186222 [0,2,0,0,0,0|0,0,1]=3 13030 B12R1.27 CNC(=O)COc1ccccc1 34a_100000210340_100000183359 [0,2,0,0,0,0|0,0,1]=3 13031 B12R1.27 CNC(=O)COc1ccccc1 527a_100102657272_100000186222 [0,2,0,0,0,0|0,0,1]=3 13032 B12R1.27 CNC(=O)COc1ccccc1 7a_100000210340_100000183359 [0,2,0,0,0,0|0,0,1]=3 13033 B12R1.27 CNC(=O)COc1ccccn1 1626a_100102657272_100102699861 [0,2,0,0,0,0|1,0,1]=4 13034 B12R1.27 CNC(=O)COc1ccccn1 240690a_100102657272_100102699861 [0,2,0,0,0,0|1,0,1]=4 13035 B12R1.27 CNC(=O)COc1ccccn1 527a_100102657272_100102699861 [0,2,0,0,0,0|1,0,1]=4 13036 B12R1.27 CNC(=O)COc1cccnc1 11a_106832991635_100015207166 [0,2,0,0,0,0|1,0,1]=4 13037 B12R1.27 CNC(=O)COc1cccnc1 1626a_100102657272_100015207166 [0,2,0,0,0,0|1,0,1]=4 13038 B12R1.27 CNC(=O)COc1cccnc1 240690a_100102657272_100015207166 [0,2,0,0,0,0|1,0,1]=4 13039 B12R1.27 CNC(=O)COc1cccnc1 34a_100000210849_100000183359 [0,2,0,0,0,0|1,0,1]=4 13040 B12R1.27 CNC(=O)COc1cccnc1 527a_100102657272_100015207166 [0,2,0,0,0,0|1,0,1]=4 13041 B12R1.27 CNC(=O)COc1cccnc1 7a_100000210849_100000183359 [0,2,0,0,0,0|1,0,1]=4 13042 B12R1.27 CNC(=O)COc1ccncc1 34a_100000212176_100000183359 [0,2,0,0,0,0|1,0,1]=4 13043 B12R1.27 CNC(=O)CSc1ccccc1 11a_106832991635_100000211596 [0,2,0,0,0,0|0,1,1]=4 13044 B12R1.27 CNC(=O)CSc1ccccc1 1626a_100102657272_100000211596 [0,2,0,0,0,0|0,1,1]=4 13045 B12R1.27 CNC(=O)CSc1ccccc1 240690a_100102657272_100000211596 [0,2,0,0,0,0|0,1,1]=4 13046 B12R1.27 CNC(=O)CSc1ccccc1 527a_100102657272_100000211596 [0,2,0,0,0,0|0,1,1]=4 13047 B12R1.27 CNC(=O)CSc1ccccc1 62a_100000183359_100000041952 [0,2,0,0,0,0|0,1,1]=4 13048 B12R1.27 CNC(=O)CSc1ccccc1 62a_100000719477_100000183359 [0,2,0,0,0,0|0,1,1]=4 13049 B12R1.27 CNC(C)COc1ccccc1 2230a_100000746794_200000210301 [0,2,0,0,0,0|0,0,2]=4 13050 B12R1.27 CNC(C)COc1ccccc1 270004a_106832991635_100000150576 [0,2,0,0,0,0|0,0,2]=4 13051 B12R1.27 CNC(C)COc1ccccc1 34a_100000746794_200000210301 [0,2,0,0,0,0|0,0,2]=4 13052 B12R1.27 COC(=O)CNc1ccccc1 34a_100000106764_100000747449 [0,2,0,0,0,0|1,0,1]=4 13053 B12R1.27 COC(=O)COc1ccccc1 34a_100000210340_100000747449 [0,2,0,0,0,0|0,0,1]=3 13054 B12R1.27 COC(=O)COc1ccccc1 7a_100000210340_100000747449 [0,2,0,0,0,0|0,0,1]=3 13055 B12R1.27 COC(=O)COc1cccnc1 34a_100000210849_100000747449 [0,2,0,0,0,0|1,0,1]=4 13056 B12R1.27 COC(=O)COc1cccnc1 7a_100000210849_100000747449 [0,2,0,0,0,0|1,0,1]=4 13057 B12R1.27 COC(=O)COc1ccncc1 34a_100000212176_100000747449 [0,2,0,0,0,0|1,0,1]=4 13058 B12R1.27 COC(=O)CSc1ccccc1 62a_100000719477_100000747449 [0,2,0,0,0,0|0,1,1]=4 13059 B12R1.27 COC(=O)CSc1ccccc1 62a_100000747449_100000041952 [0,2,0,0,0,0|0,1,1]=4 13060 B12R1.27 COC(C)COc1ccccc1 34a_100000210911_200000210301 [0,2,0,0,0,0|0,0,2]=4 13061 B12R1.27 COC(C)COc1ccccc1 7a_100000210911_200000210301 [0,2,0,0,0,0|0,0,2]=4 13062 B12R1.27 C[C@@H](CO)COc1ccccc1 34a_100000210340_100000059175 [0,2,0,0,0,0|0,0,2]=4 13063 B12R1.27 C[C@@H](CO)COc1ccccc1 7a_100000210340_100000059175 [0,2,0,0,0,0|0,0,2]=4 13064 B12R1.27 O=C(CF)CCc1ccccc1 1458a_100000185753_100015361967 [0,2,0,0,0,0|1,0,1]=4 13065 B12R1.27 O=C(CF)COc1ccccc1 1458a_100000186222_100015361967 [0,2,0,0,0,0|0,0,1]=3 13066 B12R1.27 O=C(CF)COc1ccccn1 1458a_100102699861_100015361967 [0,2,0,0,0,0|1,0,1]=4 13067 B12R1.27 O=C(CF)COc1cccnc1 1458a_100015207166_100015361967 [0,2,0,0,0,0|1,0,1]=4 13068 B12R1.27 O=C(CF)CSc1ccccc1 1458a_100000211596_100015361967 [0,2,0,0,0,0|0,1,1]=4 13069 B12R1.27 O=C(CO)CCc1ccccc1 1458a_100000210174_100000765856 [0,2,0,0,0,0|1,0,1]=4 13070 B12R1.27 OCC(O)COc1ccccc1 34a_100000210340_100011219619 [0,2,0,0,0,0|0,0,2]=4 13071 B12R1.27 OCC(O)COc1ccccc1 7a_100000210340_100011219619 [0,2,0,0,0,0|0,0,2]=4 13072 B12R1.27 OC[C@H](O)COc1ccccc1 34a_100000210340_100009815848 [0,2,0,0,0,0|0,0,2]=4 13073 B12R1.27 OC[C@H](O)COc1ccccc1 7a_100000210340_100009815848 [0,2,0,0,0,0|0,0,2]=4 13074 B12R1.27 O[C@@H](CF)COc1ccccc1 34a_100000210340_100015614560 [0,2,0,0,0,0|0,0,2]=4 13075 B12R1.27 O[C@@H](CF)COc1ccccc1 7a_100000210340_100015614560 [0,2,0,0,0,0|0,0,2]=4 13076 B12R1.32 C=CCC(=O)C[n+]1ccccc1 1458a_200000086051_100000210623 [0,2,0,0,0,0|2,0,0]=4 13077 B12R1.32 C=CCC(=O)Cc1ccccc1 1458a_100000210193_100015291786 [0,2,0,0,0,0|1,0,0]=3 13078 B12R1.32 C=CCC(=O)Cc1ccccn1 1458a_100000210193_100000721315 [0,2,0,0,0,0|2,0,0]=4 13079 B12R1.32 C=CCC(=O)Cc1ccccn1 1458a_100000233486_100000210623 [0,2,0,0,0,0|2,0,0]=4 13080 B12R1.32 C=CCC(=O)Cc1cccnc1 1458a_100000210193_100000733263 [0,2,0,0,0,0|2,0,0]=4 13081 B12R1.32 C=CCC(=O)Cc1cccnc1 1458a_100000737805_100000210623 [0,2,0,0,0,0|2,0,0]=4 13082 B12R1.32 C=CCC(=O)Cc1ccncc1 1458a_100000210193_100000705612 [0,2,0,0,0,0|2,0,0]=4 13083 B12R1.32 C=CCC(=O)Nc1ccccc1 11a_100000106764_100000210193 [0,2,0,0,0,0|1,0,0]=3 13084 B12R1.32 C=CCC(=O)Nc1ccccc1 1626a_100000106764_100000210193 [0,2,0,0,0,0|1,0,0]=3 13085 B12R1.32 C=CCC(=O)Nc1ccccc1 22a_100000106764_100000210193 [0,2,0,0,0,0|1,0,0]=3 13086 B12R1.32 C=CCC(=O)Nc1ccccc1 527a_100000106764_100000210193 [0,2,0,0,0,0|1,0,0]=3 13087 B12R1.32 C=CCN(C)Cc1ccccc1 2230a_100000186898_100000210623 [0,2,0,0,0,0|1,0,0]=3 13088 B12R1.32 C=CCN(C)Cc1ccccc1 2230a_100000196212_200000210301 [0,2,0,0,0,0|1,0,0]=3 13089 B12R1.32 C=CCN(C)Cc1ccccc1 2230a_100000225617_100015291786 [0,2,0,0,0,0|1,0,0]=3 13090 B12R1.32 C=CCN(C)Cc1ccccc1 269982a_100000186898_100000210623 [0,2,0,0,0,0|1,0,0]=3 13091 B12R1.32 C=CCN(C)Cc1ccccc1 269982a_100000196212_200000210301 [0,2,0,0,0,0|1,0,0]=3 13092 B12R1.32 C=CCN(C)Cc1ccccc1 269982a_100000225617_100000211182 [0,2,0,0,0,0|1,0,0]=3 13093 B12R1.32 C=CCN(C)Cc1ccccc1 270004a_100000225617_100015611070 [0,2,0,0,0,0|1,0,0]=3 13094 B12R1.32 C=CCN(C)Cc1ccccn1 2230a_100000207498_100000210623 [0,2,0,0,0,0|2,0,0]=4 13095 B12R1.32 C=CCN(C)Cc1ccccn1 2230a_100000225617_100000721315 [0,2,0,0,0,0|2,0,0]=4 13096 B12R1.32 C=CCN(C)Cc1ccccn1 269982a_100000207498_100000210623 [0,2,0,0,0,0|2,0,0]=4 13097 B12R1.32 C=CCN(C)Cc1ccccn1 269982a_100000225617_100000721315 [0,2,0,0,0,0|2,0,0]=4 13098 B12R1.32 C=CCN(C)Cc1ccccn1 270004a_100000225617_100000209966 [0,2,0,0,0,0|2,0,0]=4 13099 B12R1.32 C=CCN(C)Cc1cccnc1 2230a_100000184577_100000210623 [0,2,0,0,0,0|2,0,0]=4 13100 B12R1.32 C=CCN(C)Cc1cccnc1 2230a_100000201331_200000210301 [0,2,0,0,0,0|2,0,0]=4 13101 B12R1.32 C=CCN(C)Cc1cccnc1 2230a_100000225617_100000741622 [0,2,0,0,0,0|2,0,0]=4 13102 B12R1.32 C=CCN(C)Cc1cccnc1 269982a_100000184577_100000210623 [0,2,0,0,0,0|2,0,0]=4 13103 B12R1.32 C=CCN(C)Cc1cccnc1 269982a_100000201331_200000210301 [0,2,0,0,0,0|2,0,0]=4 13104 B12R1.32 C=CCN(C)Cc1cccnc1 269982a_100000225617_100000733263 [0,2,0,0,0,0|2,0,0]=4 13105 B12R1.32 C=CCN(C)Cc1cccnc1 270004a_100000225617_100000209961 [0,2,0,0,0,0|2,0,0]=4 13106 B12R1.32 C=CCN(C)Cc1ccncc1 2230a_100000187231_100000210623 [0,2,0,0,0,0|2,0,0]=4 13107 B12R1.32 C=CCN(C)Cc1ccncc1 2230a_100000201359_200000210301 [0,2,0,0,0,0|2,0,0]=4 13108 B12R1.32 C=CCN(C)Cc1ccncc1 2230a_100000225617_100015193705 [0,2,0,0,0,0|2,0,0]=4 13109 B12R1.32 C=CCN(C)Cc1ccncc1 269982a_100000187231_100000210623 [0,2,0,0,0,0|2,0,0]=4 13110 B12R1.32 C=CCN(C)Cc1ccncc1 269982a_100000201359_200000210301 [0,2,0,0,0,0|2,0,0]=4 13111 B12R1.32 C=CCN(C)Cc1ccncc1 269982a_100000225617_100015193705 [0,2,0,0,0,0|2,0,0]=4 13112 B12R1.32 C=CCN([13CH3])Cc1ccccc1 2230a_100000196212_200025704644 [0,2,0,0,0,0|1,0,0]=3 13113 B12R1.32 C=CCN([13CH3])Cc1ccccc1 269982a_100000196212_200025704644 [0,2,0,0,0,0|1,0,0]=3 13114 B12R1.32 C=CCN([13CH3])Cc1cccnc1 2230a_100000201331_200025704644 [0,2,0,0,0,0|2,0,0]=4 13115 B12R1.32 C=CCN([13CH3])Cc1cccnc1 269982a_100000201331_200025704644 [0,2,0,0,0,0|2,0,0]=4 13116 B12R1.32 C=CCN([13CH3])Cc1ccncc1 2230a_100000201359_200025704644 [0,2,0,0,0,0|2,0,0]=4 13117 B12R1.32 C=CCN([13CH3])Cc1ccncc1 269982a_100000201359_200025704644 [0,2,0,0,0,0|2,0,0]=4 13118 B12R1.32 CC(CC#N)Oc1ccccc1 7a_100000210340_100009813641 [0,2,0,0,0,0|0,0,2]=4 13119 B12R1.32 CC(CCO)Oc1ccccc1 34a_100000210340_100009893172 [0,2,0,0,0,0|0,0,2]=4 13120 B12R1.32 CC(CCO)Oc1ccccc1 7a_100000210340_100009893172 [0,2,0,0,0,0|0,0,2]=4 13121 B12R1.32 CC(CN[13CH3])Oc1ccccc1 2230a_100000755676_200025704644 [0,2,0,0,0,0|0,0,2]=4 13122 B12R1.32 CC(CN[13CH3])Oc1ccccc1 34a_100000755676_200025704644 [0,2,0,0,0,0|0,0,2]=4 13123 B12R1.32 CC(CO[13CH3])Oc1ccccc1 34a_200000036796_200025704644 [0,2,0,0,0,0|0,0,2]=4 13124 B12R1.32 CC(CO[13CH3])Oc1ccccc1 7a_200000036796_200025704644 [0,2,0,0,0,0|0,0,2]=4 13125 B12R1.32 CC=CC(=O)Cc1ccccc1 1458a_100000210699_100015291786 [0,2,0,0,0,0|1,0,1]=4 13126 B12R1.32 CC=CC(=O)Nc1ccccc1 11a_100000106764_100000210699 [0,2,0,0,0,0|1,0,1]=4 13127 B12R1.32 CC=CC(=O)Nc1ccccc1 1626a_100000106764_100000210699 [0,2,0,0,0,0|1,0,1]=4 13128 B12R1.32 CC=CC(=O)Nc1ccccc1 22a_100000106764_100000210699 [0,2,0,0,0,0|1,0,1]=4 13129 B12R1.32 CCCC(C)Oc1ccccc1 34a_100000210340_100000766640 [0,2,0,0,0,0|0,0,2]=4 13130 B12R1.32 CCCC(C)Oc1ccccc1 7a_100000210340_100000766640 [0,2,0,0,0,0|0,0,2]=4 13131 B12R1.32 CN(CC=O)Cc1ccccc1 2230a_100000186898_200015260668 [0,2,0,0,0,0|2,0,0]=4 13132 B12R1.32 CN(CC=O)Cc1ccccc1 269982a_100000186898_200015260668 [0,2,0,0,0,0|2,0,0]=4 13133 B12R1.32 CNCC(=O)Oc1ccccc1 2230a_106832991635_100009813826 [0,2,0,0,0,0|1,0,1]=4 13134 B12R1.32 CNCC(=O)Oc1ccccc1 34a_100102657272_100009813826 [0,2,0,0,0,0|1,0,1]=4 13135 B12R1.32 CNCC(=O)Oc1ccccc1 7a_106832991635_100009813826 [0,2,0,0,0,0|1,0,1]=4 13136 B12R1.32 CNCC(C)Oc1ccccc1 2230a_100000755676_200000210301 [0,2,0,0,0,0|0,0,2]=4 13137 B12R1.32 CNCC(C)Oc1ccccc1 34a_100000755676_200000210301 [0,2,0,0,0,0|0,0,2]=4 13138 B12R1.32 COCC(=O)Oc1ccccc1 34a_100138415774_100009813826 [0,2,0,0,0,0|1,0,1]=4 13139 B12R1.32 COCC(C)Oc1ccccc1 34a_100000210340_100000765312 [0,2,0,0,0,0|0,0,2]=4 13140 B12R1.32 COCC(C)Oc1ccccc1 34a_200000036796_200000210301 [0,2,0,0,0,0|0,0,2]=4 13141 B12R1.32 COCC(C)Oc1ccccc1 7a_100000210340_100000765312 [0,2,0,0,0,0|0,0,2]=4 13142 B12R1.32 COCC(C)Oc1ccccc1 7a_200000036796_200000210301 [0,2,0,0,0,0|0,0,2]=4 13143 B12R1.32 CSCC(=O)Oc1ccccc1 62a_100009813826_200000210301 [0,2,0,0,0,0|1,0,1]=4 13144 B12R1.32 CSCC(=O)Oc1ccccc1 62a_200000210301_100009813826 [0,2,0,0,0,0|1,0,1]=4 13145 B12R1.32 O=C(C=CBr)Cc1ccccc1 1458a_100016273825_100015291786 [0,2,0,0,0,0|1,0,1]=4 13146 B12R1.32 O=C(C=CBr)Nc1ccccc1 1626a_100000106764_100016273825 [0,2,0,0,0,0|1,0,1]=4 13147 B12R1.32 O=C(C=CCl)Cc1ccccc1 1458a_200016279998_100015291786 [0,2,0,0,0,0|1,0,1]=4 13148 B12R1.32 O=C(C=CCl)Nc1ccccc1 11a_100000106764_200016279998 [0,2,0,0,0,0|1,0,1]=4 13149 B12R1.32 O=C(C=CCl)Nc1ccccc1 1626a_100000106764_200016279998 [0,2,0,0,0,0|1,0,1]=4 13150 B12R1.32 O=C(C=CI)Cc1ccccc1 1458a_100016256311_100015291786 [0,2,0,0,0,0|1,0,1]=4 13151 B12R1.32 O=C(C=CI)Nc1ccccc1 1626a_100000106764_100016256311 [0,2,0,0,0,0|1,0,1]=4 13152 B12R1.32 [13CH3]SCC(=O)Oc1ccccc1 62a_100009813826_200025704644 [0,2,0,0,0,0|1,0,1]=4 13153 B12R1.32 [13CH3]SCC(=O)Oc1ccccc1 62a_200025704644_100009813826 [0,2,0,0,0,0|1,0,1]=4 13154 B12R1.252 C=C(C)C=NNc1ccccc1 4a_100015195140_100000210575 [0,2,0,0,0,0|1,0,1]=4 13155 B12R1.252 C=C(C)CCNc1ccccc1 34a_100000106764_100000730704 [0,2,0,0,0,0|1,0,0]=3 13156 B12R1.252 C=C(C)CCOc1ccccc1 34a_100000210340_100000730704 [0,2,0,0,0,0|0,0,0]=2 13157 B12R1.252 C=C(C)CCOc1ccccc1 7a_100000210340_100000730704 [0,2,0,0,0,0|0,0,0]=2 13158 B12R1.252 C=C(C)CCOc1cccnc1 34a_100000210849_100000730704 [0,2,0,0,0,0|1,0,0]=3 13159 B12R1.252 C=C(C)CCOc1cccnc1 7a_100000210849_100000730704 [0,2,0,0,0,0|1,0,0]=3 13160 B12R1.252 C=C(C)CCOc1ccncc1 34a_100000212176_100000730704 [0,2,0,0,0,0|1,0,0]=3 13161 B12R1.252 C=C(C)CCOc1ccnnc1 34a_100015204005_100000730704 [0,2,0,0,0,0|2,0,0]=4 13162 B12R1.252 C=C(C)CCOc1cncnc1 7a_100000754086_100000730704 [0,2,0,0,0,0|2,0,0]=4 13163 B12R1.252 C=C(C)CCSc1ccccc1 62a_100000719477_100000730704 [0,2,0,0,0,0|0,1,0]=3 13164 B12R1.252 C=C(C)CCSc1ccccc1 62a_100000730704_100000041952 [0,2,0,0,0,0|0,1,0]=3 13165 B12R1.252 C=C(C)CCSc1ccccn1 62a_100000730704_100011216584 [0,2,0,0,0,0|1,1,0]=4 13166 B12R1.252 C=C(C)CCSc1ccccn1 62a_100011216584_100000730704 [0,2,0,0,0,0|1,1,0]=4 13167 B12R1.252 C=C(C)CCSc1cccnc1 62a_100000210063_100000730704 [0,2,0,0,0,0|1,1,0]=4 13168 B12R1.252 C=C(C)CCSc1cccnc1 62a_100000730704_100000210063 [0,2,0,0,0,0|1,1,0]=4 13169 B12R1.252 C=C(C)CCSc1ccncc1 62a_100000728582_100000730704 [0,2,0,0,0,0|1,1,0]=4 13170 B12R1.252 C=C(C)CCSc1ccncc1 62a_100000730704_100000728582 [0,2,0,0,0,0|1,1,0]=4 13171 B12R1.252 C=C(C)CNCc1ccccc1 2230a_100015324214_100000748629 [0,2,0,0,0,0|1,0,0]=3 13172 B12R1.252 C=C(C)CNCc1ccccc1 34a_100015324214_100000748629 [0,2,0,0,0,0|1,0,0]=3 13173 B12R1.252 C=C(C)COCc1ccccc1 34a_100000210245_100015291786 [0,2,0,0,0,0|0,0,0]=2 13174 B12R1.252 C=C(C)COCc1ccccc1 34a_100000210790_100000748629 [0,2,0,0,0,0|0,0,0]=2 13175 B12R1.252 C=C(C)COCc1ccccc1 7a_100000210790_100000748629 [0,2,0,0,0,0|0,0,0]=2 13176 B12R1.252 C=C(C)COCc1ccccn1 34a_100000210245_100000721315 [0,2,0,0,0,0|1,0,0]=3 13177 B12R1.252 C=C(C)COCc1cccnc1 34a_100000210245_100000733263 [0,2,0,0,0,0|1,0,0]=3 13178 B12R1.252 C=C(C)COCc1cccnn1 34a_100000210245_100016990269 [0,2,0,0,0,0|2,0,0]=4 13179 B12R1.252 C=C(C)COCc1cnccn1 34a_100000210245_100016995436 [0,2,0,0,0,0|2,0,0]=4 13180 B12R1.252 C=C(C)COCc1cncnc1 34a_100000210245_100015196519 [0,2,0,0,0,0|2,0,0]=4 13181 B12R1.252 C=C(C)COCc1ncccn1 34a_100000210245_100000703007 [0,2,0,0,0,0|2,0,0]=4 13182 B12R1.252 C=C(C)CSCc1ccccc1 62a_100000211182_100000211660 [0,2,0,0,0,0|0,1,0]=3 13183 B12R1.252 C=C(C)CSCc1ccccc1 62a_100000748629_100015291786 [0,2,0,0,0,0|0,1,0]=3 13184 B12R1.252 C=C(C)CSCc1ccccn1 62a_100000721315_100000211660 [0,2,0,0,0,0|1,1,0]=4 13185 B12R1.252 C=C(C)CSCc1ccccn1 62a_100000748629_100000721315 [0,2,0,0,0,0|1,1,0]=4 13186 B12R1.252 C=C(C)CSCc1cccnc1 62a_100000741622_100000211660 [0,2,0,0,0,0|1,1,0]=4 13187 B12R1.252 C=C(C)CSCc1cccnc1 62a_100000748629_100000741622 [0,2,0,0,0,0|1,1,0]=4 13188 B12R1.252 C=C(C)CSCc1ccncc1 62a_100000748629_100015193705 [0,2,0,0,0,0|1,1,0]=4 13189 B12R1.252 C=C(C)CSCc1ccncc1 62a_100015193705_100000211660 [0,2,0,0,0,0|1,1,0]=4 13190 B12R1.252 C=C(F)CNCc1ccccc1 2230a_100015324214_100009893438 [0,2,0,0,0,0|1,0,0]=3 13191 B12R1.252 C=C(F)CNCc1ccccc1 34a_100015324214_100009893438 [0,2,0,0,0,0|1,0,0]=3 13192 B12R1.252 C=C(F)COCc1ccccc1 34a_100000210790_100009893438 [0,2,0,0,0,0|0,0,0]=2 13193 B12R1.252 C=C(F)COCc1ccccc1 34a_200010262243_100015291786 [0,2,0,0,0,0|0,0,0]=2 13194 B12R1.252 C=C(F)COCc1ccccc1 7a_100000210790_100000042424 [0,2,0,0,0,0|0,0,0]=2 13195 B12R1.252 C=C(F)COCc1ccccn1 34a_200010262243_100000721315 [0,2,0,0,0,0|1,0,0]=3 13196 B12R1.252 C=C(F)COCc1cccnc1 34a_200010262243_100000733263 [0,2,0,0,0,0|1,0,0]=3 13197 B12R1.252 C=C(F)COCc1cccnn1 34a_200010262243_100016990269 [0,2,0,0,0,0|2,0,0]=4 13198 B12R1.252 C=C(F)COCc1cnccn1 34a_200010262243_100016995436 [0,2,0,0,0,0|2,0,0]=4 13199 B12R1.252 C=C(F)COCc1cncnc1 34a_200010262243_100015196519 [0,2,0,0,0,0|2,0,0]=4 13200 B12R1.252 C=C(F)COCc1ncccn1 34a_200010262243_100000703007 [0,2,0,0,0,0|2,0,0]=4 13201 B12R1.252 C=C(F)CSCc1ccccc1 62a_100000042424_100015291786 [0,2,0,0,0,0|0,1,0]=3 13202 B12R1.252 C=C(F)CSCc1ccccc1 62a_100000211182_100000042424 [0,2,0,0,0,0|0,1,0]=3 13203 B12R1.252 C=C(F)CSCc1ccccn1 62a_100000042424_100000721315 [0,2,0,0,0,0|1,1,0]=4 13204 B12R1.252 C=C(F)CSCc1ccccn1 62a_100000721315_100000042424 [0,2,0,0,0,0|1,1,0]=4 13205 B12R1.252 C=C(F)CSCc1cccnc1 62a_100000042424_100000741622 [0,2,0,0,0,0|1,1,0]=4 13206 B12R1.252 C=C(F)CSCc1cccnc1 62a_100000741622_100000042424 [0,2,0,0,0,0|1,1,0]=4 13207 B12R1.252 C=C(F)CSCc1ccncc1 62a_100000042424_100015193705 [0,2,0,0,0,0|1,1,0]=4 13208 B12R1.252 C=C(F)CSCc1ccncc1 62a_100015193705_100000042424 [0,2,0,0,0,0|1,1,0]=4 13209 B12R1.252 CC(=CCNc1ccccc1)C 34a_100000106764_100000761012 [0,2,0,0,0,0|1,0,0]=3 13210 B12R1.252 CC(=CCOc1ccccc1)C 34a_100000210340_100000761012 [0,2,0,0,0,0|0,0,0]=2 13211 B12R1.252 CC(=CCOc1ccccc1)C 7a_100000210340_100000761012 [0,2,0,0,0,0|0,0,0]=2 13212 B12R1.252 CC(=CCOc1cccnc1)C 34a_100000210849_100000761012 [0,2,0,0,0,0|1,0,0]=3 13213 B12R1.252 CC(=CCOc1cccnc1)C 7a_100000210849_100000761012 [0,2,0,0,0,0|1,0,0]=3 13214 B12R1.252 CC(=CCOc1ccncc1)C 34a_100000212176_100000761012 [0,2,0,0,0,0|1,0,0]=3 13215 B12R1.252 CC(=CCOc1ccnnc1)C 34a_100015204005_100000761012 [0,2,0,0,0,0|2,0,0]=4 13216 B12R1.252 CC(=CCOc1cncnc1)C 7a_100000754086_100000761012 [0,2,0,0,0,0|2,0,0]=4 13217 B12R1.252 CC(=CCSc1ccccc1)C 62a_100000719477_100000761012 [0,2,0,0,0,0|0,1,0]=3 13218 B12R1.252 CC(=CCSc1ccccc1)C 62a_100000761012_100000041952 [0,2,0,0,0,0|0,1,0]=3 13219 B12R1.252 CC(=CCSc1ccccn1)C 62a_100000761012_100011216584 [0,2,0,0,0,0|1,1,0]=4 13220 B12R1.252 CC(=CCSc1ccccn1)C 62a_100011216584_100000761012 [0,2,0,0,0,0|1,1,0]=4 13221 B12R1.252 CC(=CCSc1cccnc1)C 62a_100000210063_100000761012 [0,2,0,0,0,0|1,1,0]=4 13222 B12R1.252 CC(=CCSc1cccnc1)C 62a_100000761012_100000210063 [0,2,0,0,0,0|1,1,0]=4 13223 B12R1.252 CC(=CCSc1ccncc1)C 62a_100000728582_100000761012 [0,2,0,0,0,0|1,1,0]=4 13224 B12R1.252 CC(=CCSc1ccncc1)C 62a_100000761012_100000728582 [0,2,0,0,0,0|1,1,0]=4 13225 B12R1.252 CC(=O)C/C=C/c1ccccc1 1458a_100000070787_100016265936 [0,2,0,0,0,0|1,0,1]=4 13226 B12R1.252 CC(=O)C/C=C/c1ccccc1 1458a_100011219626_200000210301 [0,2,0,0,0,0|1,0,1]=4 13227 B12R1.252 CC(=O)C=CSc1ccccc1 1458a_100016262050_200000210301 [0,2,0,0,0,0|0,1,1]=4 13228 B12R1.252 CC(=O)CC#Cc1ccccc1 1458a_100000070787_100011352542 [0,2,0,0,0,0|1,0,1]=4 13229 B12R1.252 CC(=O)CCCc1ccccc1 1458a_100000070787_100000211621 [0,2,0,0,0,0|1,0,1]=4 13230 B12R1.252 CC(=O)CCCc1ccccc1 1458a_100011207963_200000210301 [0,2,0,0,0,0|1,0,1]=4 13231 B12R1.252 CC(=O)CCOc1ccccc1 1458a_100000070787_100000184471 [0,2,0,0,0,0|0,0,1]=3 13232 B12R1.252 CC(=O)CCOc1ccccc1 1458a_100000182761_200000210301 [0,2,0,0,0,0|0,0,1]=3 13233 B12R1.252 CC(=O)CCOc1ccccc1 7a_100000210340_100000053229 [0,2,0,0,0,0|0,0,1]=3 13234 B12R1.252 CC(=O)CCOc1cccnc1 7a_100000210849_100000053229 [0,2,0,0,0,0|1,0,1]=4 13235 B12R1.252 CC(=O)CCSc1ccccc1 1458a_100000070787_100000246102 [0,2,0,0,0,0|0,1,1]=4 13236 B12R1.252 CC(=O)CCSc1ccccc1 1458a_100000182436_200000210301 [0,2,0,0,0,0|0,1,1]=4 13237 B12R1.252 CC(=O)CCSc1ccccc1 62a_100000053229_100000041952 [0,2,0,0,0,0|0,1,1]=4 13238 B12R1.252 CC(=O)CCSc1ccccc1 62a_100000719477_100000053229 [0,2,0,0,0,0|0,1,1]=4 13239 B12R1.252 CC(=O)COCc1ccccc1 1458a_100000230186_200000210301 [0,2,0,0,0,0|0,0,1]=3 13240 B12R1.252 CC(=O)COCc1ccccc1 34a_100000211253_100015291786 [0,2,0,0,0,0|0,0,1]=3 13241 B12R1.252 CC(=O)COCc1ccccn1 34a_100000211253_100000721315 [0,2,0,0,0,0|1,0,1]=4 13242 B12R1.252 CC(=O)COCc1cccnc1 34a_100000211253_100000733263 [0,2,0,0,0,0|1,0,1]=4 13243 B12R1.252 CC(=O)CSCc1ccccc1 1458a_100000070787_200011217039 [0,2,0,0,0,0|0,1,1]=4 13244 B12R1.252 CC(=O)CSCc1ccccc1 1458a_100000150264_200000210301 [0,2,0,0,0,0|0,1,1]=4 13245 B12R1.252 CC(=O)NCCc1ccccc1 11a_100000106460_100015343762 [0,2,0,0,0,0|1,0,1]=4 13246 B12R1.252 CC(=O)NCCc1ccccc1 1626a_100000106460_100015343762 [0,2,0,0,0,0|1,0,1]=4 13247 B12R1.252 CC(=O)NCCc1ccccc1 240690a_100000106460_100015343762 [0,2,0,0,0,0|1,0,1]=4 13248 B12R1.252 CC(=O)NCCc1ccccc1 527a_100000106460_100103153847 [0,2,0,0,0,0|1,0,1]=4 13249 B12R1.252 CC(=O)OCNc1ccccc1 34a_100000106764_100009813279 [0,2,0,0,0,0|1,0,1]=4 13250 B12R1.252 CC(=O)OCOc1ccccc1 34a_100000210340_100009813279 [0,2,0,0,0,0|0,0,1]=3 13251 B12R1.252 CC(=O)OCOc1cccnc1 34a_100000210849_100009813279 [0,2,0,0,0,0|1,0,1]=4 13252 B12R1.252 CC(=O)OCOc1ccncc1 34a_100000212176_100009813279 [0,2,0,0,0,0|1,0,1]=4 13253 B12R1.252 CC(=O)OCSc1ccccc1 62a_100000076356_100000041952 [0,2,0,0,0,0|0,1,1]=4 13254 B12R1.252 CC(=O)OCSc1ccccc1 62a_100000719477_100000076356 [0,2,0,0,0,0|0,1,1]=4 13255 B12R1.252 CC(Br)COCc1ccccc1 34a_100012180447_100015291786 [0,2,0,0,0,0|0,0,2]=4 13256 B12R1.252 CC(C)CCOc1ccccc1 34a_100000210340_100000210312 [0,2,0,0,0,0|0,0,2]=4 13257 B12R1.252 CC(C)CCOc1ccccc1 7a_100000210340_100000210626 [0,2,0,0,0,0|0,0,2]=4 13258 B12R1.252 CC(C)COCc1ccccc1 34a_100000210257_100015291786 [0,2,0,0,0,0|0,0,2]=4 13259 B12R1.252 CC(C)COCc1ccccc1 34a_100000210790_100000210624 [0,2,0,0,0,0|0,0,2]=4 13260 B12R1.252 CC(C)COCc1ccccc1 7a_100000210790_100000210760 [0,2,0,0,0,0|0,0,2]=4 13261 B12R1.252 CC(C)OCOc1ccccc1 34a_100000210340_100000709892 [0,2,0,0,0,0|0,0,2]=4 13262 B12R1.252 CC(F)COCc1ccccc1 34a_100015925927_100015291786 [0,2,0,0,0,0|0,0,2]=4 13263 B12R1.252 CC(O)CCOc1ccccc1 34a_100000210340_100012276601 [0,2,0,0,0,0|0,0,2]=4 13264 B12R1.252 CC(O)CCOc1ccccc1 7a_100000210340_100012276601 [0,2,0,0,0,0|0,0,2]=4 13265 B12R1.252 CC(O)COCc1ccccc1 34a_100000210790_100011218427 [0,2,0,0,0,0|0,0,2]=4 13266 B12R1.252 CC(O)COCc1ccccc1 7a_100000210790_100011218427 [0,2,0,0,0,0|0,0,2]=4 13267 B12R1.252 CN(C)CCOc1ccccc1 2230a_100000184383_200000210301 [0,2,0,0,0,0|0,0,2]=4 13268 B12R1.252 CN(C)CCOc1ccccc1 2230a_100102631434_100000184471 [0,2,0,0,0,0|0,0,2]=4 13269 B12R1.252 CN(C)CCOc1ccccc1 269982a_100000184383_200000210301 [0,2,0,0,0,0|0,0,2]=4 13270 B12R1.252 CN(C)CCOc1ccccc1 269982a_100102631434_100000184471 [0,2,0,0,0,0|0,0,2]=4 13271 B12R1.252 CN(C)CCOc1ccccc1 270004a_100102631434_100000758736 [0,2,0,0,0,0|0,0,2]=4 13272 B12R1.252 CN(C)CCOc1ccccc1 7a_100000210340_100000755713 [0,2,0,0,0,0|0,0,2]=4 13273 B12R1.252 CN(C)COCc1ccccc1 2230a_100102631434_100000763385 [0,2,0,0,0,0|1,0,1]=4 13274 B12R1.252 CN([13CH3])CCOc1ccccc1 2230a_100000184383_200025704644 [0,2,0,0,0,0|0,0,2]=4 13275 B12R1.252 CN([13CH3])CCOc1ccccc1 269982a_100000184383_200025704644 [0,2,0,0,0,0|0,0,2]=4 13276 B12R1.252 C[C@@H](Cl)COCc1ccccc1 34a_100016084084_100015291786 [0,2,0,0,0,0|0,0,2]=4 13277 B12R1.252 C[C@@H](N)COCc1ccccc1 34a_100000737577_100015291786 [0,2,0,0,0,0|0,0,2]=4 13278 B12R1.252 C[C@@H](O)COCc1ccccc1 34a_100000210790_100009817552 [0,2,0,0,0,0|0,0,2]=4 13279 B12R1.252 C[C@@H](O)COCc1ccccc1 7a_100000210790_100009817552 [0,2,0,0,0,0|0,0,2]=4 13280 B12R1.252 FC(F)COCc1ccccc1 34a_100000210790_100011934356 [0,2,0,0,0,0|1,0,1]=4 13281 B12R1.252 FC(F)COCc1ccccc1 34a_100000743014_100015291786 [0,2,0,0,0,0|1,0,1]=4 13282 B12R1.252 FC(F)COCc1ccccc1 7a_100000210790_100011934356 [0,2,0,0,0,0|1,0,1]=4 13283 B12R1.252 NC(=O)CCNc1ccccc1 34a_100000106764_100000731001 [0,2,0,0,0,0|1,0,1]=4 13284 B12R1.252 NC(=O)CCOc1ccccc1 34a_100000210340_100000731001 [0,2,0,0,0,0|0,0,1]=3 13285 B12R1.252 NC(=O)CCOc1ccccc1 7a_100000210340_100000744528 [0,2,0,0,0,0|0,0,1]=3 13286 B12R1.252 NC(=O)CCOc1cccnc1 34a_100000210849_100000731001 [0,2,0,0,0,0|1,0,1]=4 13287 B12R1.252 NC(=O)CCOc1cccnc1 7a_100000210849_100000744528 [0,2,0,0,0,0|1,0,1]=4 13288 B12R1.252 NC(=O)CCOc1ccncc1 34a_100000212176_100000731001 [0,2,0,0,0,0|1,0,1]=4 13289 B12R1.252 NC(=O)CCSc1ccccc1 62a_100000719477_100000744528 [0,2,0,0,0,0|0,1,1]=4 13290 B12R1.252 NC(=O)CCSc1ccccc1 62a_100000744528_100000041952 [0,2,0,0,0,0|0,1,1]=4 13291 B12R1.252 NC(=O)CNCc1ccccc1 2230a_100000711301_100015291786 [0,2,0,0,0,0|2,0,0]=4 13292 B12R1.252 NC(=O)CNCc1ccccc1 2230a_100015324214_100000747473 [0,2,0,0,0,0|2,0,0]=4 13293 B12R1.252 NC(=O)CNCc1ccccc1 34a_100015324214_100000187820 [0,2,0,0,0,0|2,0,0]=4 13294 B12R1.252 NC(=O)COCc1ccccc1 34a_100000210790_100000187820 [0,2,0,0,0,0|1,0,0]=3 13295 B12R1.252 NC(=O)COCc1ccccc1 7a_100000210790_100000187820 [0,2,0,0,0,0|1,0,0]=3 13296 B12R1.252 NC(=O)CSCc1ccccc1 62a_100000211182_100000747473 [0,2,0,0,0,0|1,1,0]=4 13297 B12R1.252 NC(=O)CSCc1ccccc1 62a_100000747473_100015291786 [0,2,0,0,0,0|1,1,0]=4 13298 B12R1.252 O=C(O)CNCc1ccccc1 269956a_100016091260_100015291786 [0,2,0,0,0,0|2,0,0]=4 13299 B12R1.252 O=C([O-])CNCc1ccccc1 34a_100015324214_100020667443 [0,2,0,0,0,0|2,0,0]=4 13300 B12R1.252 O=C([O-])COCc1ccccc1 34a_100000210790_100020667443 [0,2,0,0,0,0|1,0,0]=3 13301 B12R1.252 O=C([O-])CSCc1ccccc1 62a_100000211182_100020667443 [0,2,0,0,0,0|1,1,0]=4 13302 B12R1.252 O=C([O-])CSCc1ccccc1 62a_100020667443_100015291786 [0,2,0,0,0,0|1,1,0]=4 13303 B12R1.252 O=[N+]([O-])COCc1ccccc1 34a_100000210790_100000761209 [0,2,0,0,0,0|2,0,0]=4 13304 B12R1.252 [13CH3]C(=O)C/C=C/c1ccccc1 1458a_100011219626_200025704644 [0,2,0,0,0,0|1,0,1]=4 13305 B12R1.252 [13CH3]C(=O)C=CSc1ccccc1 1458a_100016262050_200025704644 [0,2,0,0,0,0|0,1,1]=4 13306 B12R1.252 [13CH3]C(=O)CCCc1ccccc1 1458a_100011207963_200025704644 [0,2,0,0,0,0|1,0,1]=4 13307 B12R1.252 [13CH3]C(=O)CCOc1ccccc1 1458a_100000182761_200025704644 [0,2,0,0,0,0|0,0,1]=3 13308 B12R1.252 [13CH3]C(=O)CCSc1ccccc1 1458a_100000182436_200025704644 [0,2,0,0,0,0|0,1,1]=4 13309 B12R1.252 [13CH3]C(=O)COCc1ccccc1 1458a_100000230186_200025704644 [0,2,0,0,0,0|0,0,1]=3 13310 B12R1.252 [13CH3]C(=O)CSCc1ccccc1 1458a_100000150264_200025704644 [0,2,0,0,0,0|0,1,1]=4 13311 B12R1.43 C=C(Br)C(=O)Nc1ccccc1 11a_100000106764_100009813364 [0,2,0,0,0,0|1,0,1]=4 13312 B12R1.43 C=C(Br)C(=O)Nc1ccccc1 1626a_100000106764_100009813364 [0,2,0,0,0,0|1,0,1]=4 13313 B12R1.43 C=C(C)C(=O)Cc1ccccc1 1458a_100000185857_100015291786 [0,2,0,0,0,0|1,0,1]=4 13314 B12R1.43 C=C(C)C(=O)Nc1ccccc1 11a_100000106764_100000185857 [0,2,0,0,0,0|1,0,1]=4 13315 B12R1.43 C=C(C)C(=O)Nc1ccccc1 1626a_100000106764_100000185857 [0,2,0,0,0,0|1,0,1]=4 13316 B12R1.43 C=C(C)C(=O)Nc1ccccc1 22a_100000106764_100000185857 [0,2,0,0,0,0|1,0,1]=4 13317 B12R1.43 C=C(Cl)C(=O)Nc1ccccc1 11a_100000106764_100000039160 [0,2,0,0,0,0|1,0,1]=4 13318 B12R1.43 C=C(Cl)C(=O)Nc1ccccc1 1626a_100000106764_100000039160 [0,2,0,0,0,0|1,0,1]=4 13319 B12R1.43 C=C(Cl)C(=O)Nc1ccccc1 22a_100000106764_100000039160 [0,2,0,0,0,0|1,0,1]=4 13320 B12R1.43 C=C(F)C(=O)Nc1ccccc1 11a_100000106764_100000036797 [0,2,0,0,0,0|1,0,1]=4 13321 B12R1.43 C=C(F)C(=O)Nc1ccccc1 1626a_100000106764_100000036797 [0,2,0,0,0,0|1,0,1]=4 13322 B12R1.43 C=C(F)C(=O)Nc1ccccc1 22a_100000106764_100000036797 [0,2,0,0,0,0|1,0,1]=4 13323 B12R1.43 CC(=O)C(C)Cc1ccccc1 1458a_100000070787_200011218536 [0,2,0,0,0,0|1,0,1]=4 13324 B12R1.43 CC(=O)C(C)Cc1ccccc1 1458a_100000754839_200000210301 [0,2,0,0,0,0|1,0,1]=4 13325 B12R1.43 CC(=O)C(C)Oc1ccccc1 1458a_100000188414_200000210301 [0,2,0,0,0,0|0,0,1]=3 13326 B12R1.43 CC(=O)C(C)Oc1ccccc1 7a_100000210340_100000179758 [0,2,0,0,0,0|0,0,1]=3 13327 B12R1.43 CC(=O)C(C)Oc1cccnc1 7a_100000210849_100000179758 [0,2,0,0,0,0|1,0,1]=4 13328 B12R1.43 CC(=O)C(C)Sc1ccccc1 1458a_100000199063_200000210301 [0,2,0,0,0,0|0,1,1]=4 13329 B12R1.43 CC(=O)C(C)Sc1ccccc1 62a_100000719477_100009814033 [0,2,0,0,0,0|0,1,1]=4 13330 B12R1.43 CC(=O)C(C)Sc1ccccc1 62a_100009814033_100000041952 [0,2,0,0,0,0|0,1,1]=4 13331 B12R1.43 CC(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_200000210301 [0,2,0,0,0,0|1,0,1]=4 13332 B12R1.43 CC(Cc1ccccc1)C(=O)[13CH3] 1458a_100000754839_200025704644 [0,2,0,0,0,0|1,0,1]=4 13333 B12R1.43 CC(Nc1ccccc1)C(=O)N 34a_100000106764_100000702099 [0,2,0,0,0,0|2,0,0]=4 13334 B12R1.43 CC(Oc1ccccc1)C(=O)N 34a_100000210340_100000702099 [0,2,0,0,0,0|1,0,0]=3 13335 B12R1.43 CC(Oc1ccccc1)C(=O)N 7a_100000210340_100000702099 [0,2,0,0,0,0|1,0,0]=3 13336 B12R1.43 CC(Oc1ccccc1)C(=O)[13CH3] 1458a_100000188414_200025704644 [0,2,0,0,0,0|0,0,1]=3 13337 B12R1.43 CC(Oc1cccnc1)C(=O)N 34a_100000210849_100000702099 [0,2,0,0,0,0|2,0,0]=4 13338 B12R1.43 CC(Oc1cccnc1)C(=O)N 7a_100000210849_100000702099 [0,2,0,0,0,0|2,0,0]=4 13339 B12R1.43 CC(Oc1ccncc1)C(=O)N 34a_100000212176_100000702099 [0,2,0,0,0,0|2,0,0]=4 13340 B12R1.43 CC(Sc1ccccc1)C(=O)N 62a_100000702099_100000041952 [0,2,0,0,0,0|1,1,0]=4 13341 B12R1.43 CC(Sc1ccccc1)C(=O)N 62a_100000719477_100000702099 [0,2,0,0,0,0|1,1,0]=4 13342 B12R1.43 CC(Sc1ccccc1)C(=O)[13CH3] 1458a_100000199063_200025704644 [0,2,0,0,0,0|0,1,1]=4 13343 B12R1.43 NC(=O)C(F)Nc1ccccc1 34a_100000106764_100009813875 [0,2,0,0,0,0|2,0,0]=4 13344 B12R1.43 NC(=O)C(F)Oc1ccccc1 34a_100000210340_100009813875 [0,2,0,0,0,0|1,0,0]=3 13345 B12R1.43 NC(=O)C(F)Oc1ccccc1 7a_100000210340_100009813875 [0,2,0,0,0,0|1,0,0]=3 13346 B12R1.43 NC(=O)C(F)Oc1cccnc1 34a_100000210849_100009813875 [0,2,0,0,0,0|2,0,0]=4 13347 B12R1.43 NC(=O)C(F)Oc1cccnc1 7a_100000210849_100009813875 [0,2,0,0,0,0|2,0,0]=4 13348 B12R1.43 NC(=O)C(F)Oc1ccncc1 34a_100000212176_100009813875 [0,2,0,0,0,0|2,0,0]=4 13349 B12R1.43 NC(=O)C(F)Sc1ccccc1 62a_100000719477_100009813875 [0,2,0,0,0,0|1,1,0]=4 13350 B12R1.43 NC(=O)C(F)Sc1ccccc1 62a_100009813875_100000041952 [0,2,0,0,0,0|1,1,0]=4 13351 B12R1.43 O=C([O-])C(F)Nc1ccccc1 34a_100000106764_100020610796 [0,2,0,0,0,0|2,0,0]=4 13352 B12R1.43 O=C([O-])C(F)Oc1ccccc1 34a_100000210340_100020610796 [0,2,0,0,0,0|1,0,0]=3 13353 B12R1.43 O=C([O-])C(F)Oc1cccnc1 34a_100000210849_100020610796 [0,2,0,0,0,0|2,0,0]=4 13354 B12R1.43 O=C([O-])C(F)Oc1ccncc1 34a_100000212176_100020610796 [0,2,0,0,0,0|2,0,0]=4 13355 B12R1.43 O=C([O-])C(F)Sc1ccccc1 62a_100000719477_100020610796 [0,2,0,0,0,0|1,1,0]=4 13356 B12R1.43 O=C([O-])C(F)Sc1ccccc1 62a_100020610796_100000041952 [0,2,0,0,0,0|1,1,0]=4 13357 B12R1.43 [13CH3]C(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_200025704644 [0,2,0,0,0,0|1,0,1]=4 13358 B12R1.118 CCC(CC)Oc1ccccc1 7a_100000210340_100000210505 [0,2,0,0,0,0|0,0,2]=4 13359 B12R1.118 O=CC(C=O)Nc1ccccc1 34a_100000106764_100000736813 [0,2,0,0,0,0|2,0,0]=4 13360 B12R1.118 O=CC(C=O)Oc1ccccc1 34a_100000210340_100000736813 [0,2,0,0,0,0|1,0,0]=3 13361 B12R1.118 O=CC(C=O)Oc1cccnc1 34a_100000210849_100000736813 [0,2,0,0,0,0|2,0,0]=4 13362 B12R1.118 O=CC(C=O)Oc1ccncc1 34a_100000212176_100000736813 [0,2,0,0,0,0|2,0,0]=4 13363 B12R1.118 O=CC(C=O)Sc1ccccc1 62a_100000719477_100000736813 [0,2,0,0,0,0|1,1,0]=4 13364 B12R1.118 O=CC(C=O)Sc1ccccc1 62a_100000736813_100000041952 [0,2,0,0,0,0|1,1,0]=4 13365 B12R1.194 C#CC(C)(C)Oc1ccccc1 34a_100000210340_100000038118 [0,2,0,0,0,0|0,0,2]=4 13366 B12R1.194 C=CC(F)(F)Sc1ccccc1 62a_100000719477_100009814244 [0,2,0,0,0,0|0,1,0]=3 13367 B12R1.194 C=CC(F)(F)Sc1ccccc1 62a_100009814244_100000041952 [0,2,0,0,0,0|0,1,0]=3 13368 B12R1.194 C=CC(F)(F)Sc1ccccn1 62a_100009814244_100011216584 [0,2,0,0,0,0|1,1,0]=4 13369 B12R1.194 C=CC(F)(F)Sc1ccccn1 62a_100011216584_100009814244 [0,2,0,0,0,0|1,1,0]=4 13370 B12R1.194 C=CC(F)(F)Sc1cccnc1 62a_100000210063_100009814244 [0,2,0,0,0,0|1,1,0]=4 13371 B12R1.194 C=CC(F)(F)Sc1cccnc1 62a_100009814244_100000210063 [0,2,0,0,0,0|1,1,0]=4 13372 B12R1.194 C=CC(F)(F)Sc1ccncc1 62a_100000728582_100009814244 [0,2,0,0,0,0|1,1,0]=4 13373 B12R1.194 C=CC(F)(F)Sc1ccncc1 62a_100009814244_100000728582 [0,2,0,0,0,0|1,1,0]=4 13374 B12R1.194 CC(C)(C#N)Oc1ccccc1 34a_100000210340_100011162410 [0,2,0,0,0,0|1,0,1]=4 13375 B12R1.194 CC(C)(C#N)Oc1ccccc1 7a_100000210340_100011162410 [0,2,0,0,0,0|1,0,1]=4 13376 B12R1.194 CCC(C)(C)Oc1ccccc1 7a_100000210340_100000210677 [0,2,0,0,0,0|0,0,2]=4 13377 B12R1.194 CNC(F)(F)Oc1ccccc1 7a_106832991635_200000057402 [0,2,0,0,0,0|1,0,1]=4 13378 B12R1.194 CSC(F)(F)Oc1ccccc1 62a_200000057402_200000210301 [0,2,0,0,0,0|1,0,1]=4 13379 B12R1.194 CSC(F)(F)Oc1ccccc1 62a_200000210301_200000057402 [0,2,0,0,0,0|1,0,1]=4 13380 B12R1.194 [13CH3]SC(F)(F)Oc1ccccc1 62a_200000057402_200025704644 [0,2,0,0,0,0|1,0,1]=4 13381 B12R1.194 [13CH3]SC(F)(F)Oc1ccccc1 62a_200025704644_200000057402 [0,2,0,0,0,0|1,0,1]=4 13382 B12R1.891 CC(C)(C)COc1ccccc1 34a_100000210340_100011219605 [0,2,0,0,0,0|0,0,2]=4 13383 B12R1.891 CC(C)(F)COc1ccccc1 34a_100000210340_100011997219 [0,2,0,0,0,0|0,0,2]=4 13384 B12R1.891 CC(C)(O)COc1ccccc1 34a_100000210340_100000764493 [0,2,0,0,0,0|0,0,2]=4 13385 B12R1.891 CC(C)(O)COc1ccccc1 7a_100000210340_100000764493 [0,2,0,0,0,0|0,0,2]=4 13386 B12R1.891 C[Si](C)(C)COc1ccccc1 7a_100000210340_100000233785 [0,2,0,0,0,0|0,1,1]=4 13387 B12R1.891 O=S(=O)([O-])COc1ccccc1 34a_100000210340_100009817235 [0,2,0,0,0,0|2,0,0]=4 13388 B10R2.6 c1ccc(cc1)C2CC2 271570a_100011220607_100000210277 [1,0,0,1,0,0|0,0,2]=4 13389 B12R2.24 Oc1cc2ccccc2cn1 271570a_203496583355_100000047361 [0,1,0,1,0,0|2,0,0]=4 13390 B12R2.24 Oc1ccc2c(c1)CCCO2 271570a_203496583355_100011393166 [0,1,0,1,0,0|0,0,2]=4 13391 B12R2.24 Oc1ccc2c(c1)NCCO2 271570a_203496583355_100000708519 [0,1,0,1,0,0|1,0,1]=4 13392 B12R2.24 Oc1ccc2c(c1)OCCC2 271570a_203496583355_100010700467 [0,1,0,1,0,0|0,0,2]=4 13393 B12R2.24 Oc1ccc2c(c1)OCCN2 271570a_203496583355_100012355470 [0,1,0,1,0,0|1,0,1]=4 13394 B12R2.24 Oc1ccc2c(c1)OCCO2 271570a_203496583355_100000184379 [0,1,0,1,0,0|1,0,1]=4 13395 B12R2.24 Oc1ccc2ccccc2c1 271570a_203496583355_100000233703 [0,1,0,1,0,0|1,0,1]=4 13396 B12R2.24 Oc1ccc2ccccc2n1 271570a_203496583355_100011291633 [0,1,0,1,0,0|1,0,1]=4 13397 B12R2.24 Oc1ccc2cccnc2c1 271570a_203496583355_100009816655 [0,1,0,1,0,0|1,0,1]=4 13398 B12R2.24 Oc1ccc2ccncc2c1 271570a_203496583355_100000686496 [0,1,0,1,0,0|2,0,0]=4 13399 B12R2.24 Oc1ccc2cnccc2c1 271570a_203496583355_100009816743 [0,1,0,1,0,0|2,0,0]=4 13400 B12R2.24 Oc1ccc2ncccc2c1 271570a_203496583355_100000754243 [0,1,0,1,0,0|1,0,1]=4 13401 B12R2.24 Oc1ccc2nnccc2c1 271570a_203496583355_100010209549 [0,1,0,1,0,0|2,0,0]=4 13402 B12R2.24 Oc1cnc2ccccc2c1 271570a_203496583355_100000737414 [0,1,0,1,0,0|1,0,1]=4 13403 B12R2.132 Cc1coc2c1cc(cc2)O 271570a_203496583355_100000728893 [0,1,0,1,0,0|0,0,2]=4 13404 B12R2.132 Cc1noc2c1cc(cc2)O 271570a_203496583355_100010196875 [0,1,0,1,0,0|1,0,1]=4 13405 B12R2.132 Nc1noc2c1cc(cc2)O 271570a_203496583355_100012356444 [0,1,0,1,0,0|2,0,0]=4 13406 B12R2.132 O=C1CCc2c1cc(cc2)O 271570a_203496583355_100000759401 [0,1,0,1,0,0|2,0,0]=4 13407 B12R2.132 O=C1COc2c1cc(cc2)O 271570a_203496583355_100000752586 [0,1,0,1,0,0|1,0,0]=3 13408 B12R2.132 O=c1[nH]oc2c1cc(cc2)O 271570a_203496583355_100000732257 [0,1,0,1,0,0|2,0,0]=4 13409 B12R2.294 Brc1ccc(cc1)OC2CC2 34a_100000185759_100000211595 [0,1,0,1,0,0|0,0,2]=4 13410 B12R2.294 Cc1ccc(cc1)OC2CC2 34a_100000210336_100000211595 [0,1,0,1,0,0|0,0,2]=4 13411 B12R2.294 Clc1ccc(cc1)OC2CC2 34a_100000210216_100000211595 [0,1,0,1,0,0|0,0,2]=4 13412 B12R2.294 Fc1ccc(cc1)OC2CC2 34a_100000210339_100000211595 [0,1,0,1,0,0|0,0,2]=4 13413 B12R2.294 Ic1ccc(cc1)OC2CC2 34a_100000212066_100000211595 [0,1,0,1,0,0|0,0,2]=4 13414 B12R2.294 Nc1ccc(cc1)OC2CC2 34a_100000185829_100000211595 [0,1,0,1,0,0|0,0,2]=4 13415 B12R2.294 Oc1ccc(cc1)OC2CC2 271570a_203496583355_100000704264 [0,1,0,1,0,0|0,0,2]=4 13416 B12R2.2 C1=C(CCC1)c2ccccc2 271570a_100000089523_100000210277 [0,1,0,1,0,0|1,0,1]=4 13417 B12R2.2 C1=C(CCO1)c2ccccc2 271570a_100000118173_100000210277 [0,1,0,1,0,0|1,0,1]=4 13418 B12R2.2 C1=C(COC1)c2ccccc2 271570a_100009872500_100000210277 [0,1,0,1,0,0|1,0,1]=4 13419 B12R2.2 c1ccc(cc1)c2c[nH]cn2 271570a_100011218836_100000756875 [0,1,0,1,0,0|2,0,0]=4 13420 B12R2.2 c1ccc(cc1)c2cc[nH]c2 271570a_100000102155_100000210277 [0,1,0,1,0,0|1,0,1]=4 13421 B12R2.2 c1ccc(cc1)c2cc[nH]n2 271570a_100000062414_100000210277 [0,1,0,1,0,0|2,0,0]=4 13422 B12R2.2 c1ccc(cc1)c2cc[nH]n2 271570a_100011218836_100000062575 [0,1,0,1,0,0|2,0,0]=4 13423 B12R2.2 c1ccc(cc1)c2ccco2 271570a_100000750936_100000210277 [0,1,0,1,0,0|0,0,1]=3 13424 B12R2.2 c1ccc(cc1)c2ccco2 271570a_100011218836_100009814098 [0,1,0,1,0,0|0,0,1]=3 13425 B12R2.2 c1ccc(cc1)c2cccs2 271570a_100000742291_100000210277 [0,1,0,1,0,0|0,1,1]=4 13426 B12R2.2 c1ccc(cc1)c2cccs2 271570a_100011218836_100011215356 [0,1,0,1,0,0|0,1,1]=4 13427 B12R2.2 c1ccc(cc1)c2ccoc2 271570a_100011218836_100011215275 [0,1,0,1,0,0|1,0,1]=4 13428 B12R2.2 c1ccc(cc1)c2ccoc2 271570a_100011218838_100000210277 [0,1,0,1,0,0|1,0,1]=4 13429 B12R2.2 c1ccc(cc1)c2ccsc2 271570a_100011218836_100000738268 [0,1,0,1,0,0|1,0,1]=4 13430 B12R2.2 c1ccc(cc1)c2ccsc2 271570a_100011934443_100000210277 [0,1,0,1,0,0|1,0,1]=4 13431 B12R2.2 c1ccc(cc1)c2ccsn2 271570a_100011218836_100009818082 [0,1,0,1,0,0|2,0,0]=4 13432 B12R2.2 c1ccc(cc1)c2cnco2 271570a_100011218836_100020591547 [0,1,0,1,0,0|1,0,1]=4 13433 B12R2.2 c1ccc(cc1)c2cncs2 271570a_100010231675_100000210277 [0,1,0,1,0,0|2,0,0]=4 13434 B12R2.2 c1ccc(cc1)c2cncs2 271570a_100011218836_100011934649 [0,1,0,1,0,0|2,0,0]=4 13435 B12R2.2 c1ccc(cc1)c2cscn2 271570a_100011218836_100000751502 [0,1,0,1,0,0|2,0,0]=4 13436 B12R2.2 c1ccc(cc1)c2ncc[nH]2 271570a_100011218836_100025796157 [0,1,0,1,0,0|2,0,0]=4 13437 B12R2.2 c1ccc(cc1)c2ncc[nH]2 271570a_100016988920_100000210277 [0,1,0,1,0,0|2,0,0]=4 13438 B12R2.2 c1ccc(cc1)c2ncco2 271570a_100011218836_100011787736 [0,1,0,1,0,0|1,0,1]=4 13439 B12R2.2 c1ccc(cc1)c2nccs2 271570a_100011218836_100000211983 [0,1,0,1,0,0|2,0,0]=4 13440 B12R2.2 c1ccc(nc1)c2ccco2 271570a_100000750936_100011216584 [0,1,0,1,0,0|1,0,1]=4 13441 B12R2.2 c1ccc(nc1)c2ccco2 271570a_100011264011_100009814098 [0,1,0,1,0,0|1,0,1]=4 13442 B12R2.2 c1cncc(c1)c2ccco2 271570a_100000750936_100000752921 [0,1,0,1,0,0|1,0,1]=4 13443 B12R2.2 c1cncc(c1)c2ccco2 271570a_100000757648_100009814098 [0,1,0,1,0,0|1,0,1]=4 13444 B12R2.2 c1coc(c1)c2ccncc2 271570a_100000750936_100000035832 [0,1,0,1,0,0|1,0,1]=4 13445 B12R2.2 c1coc(c1)c2ccncc2 271570a_100000752145_100009814098 [0,1,0,1,0,0|1,0,1]=4 13446 B12R2.1081 Oc1cccc2c1CCCO2 271570a_203496583355_100010188023 [0,1,0,1,0,0|0,0,2]=4 13447 B12R2.1081 Oc1cccc2c1CCN=C2 271570a_203496583355_100010982778 [0,1,0,1,0,0|2,0,0]=4 13448 B12R2.1081 Oc1cccc2c1NCCO2 271570a_203496583355_100015018771 [0,1,0,1,0,0|1,0,1]=4 13449 B12R2.1081 Oc1cccc2c1OCCC2 271570a_203496583355_100010204675 [0,1,0,1,0,0|0,0,2]=4 13450 B12R2.1081 Oc1cccc2c1OCCN2 271570a_203496583355_100000726803 [0,1,0,1,0,0|1,0,1]=4 13451 B12R2.1081 Oc1cccc2c1OCCO2 271570a_203496583355_100009815980 [0,1,0,1,0,0|1,0,1]=4 13452 B12R2.1081 Oc1cccc2c1cccc2 271570a_203496583355_100000210605 [0,1,0,1,0,0|1,0,1]=4 13453 B12R2.1081 Oc1cccc2c1cccn2 271570a_203496583355_100011290932 [0,1,0,1,0,0|1,0,1]=4 13454 B12R2.1081 Oc1cccc2c1ccnc2 271570a_203496583355_100000186358 [0,1,0,1,0,0|2,0,0]=4 13455 B12R2.1081 Oc1cccc2c1cncc2 271570a_203496583355_100000685578 [0,1,0,1,0,0|2,0,0]=4 13456 B12R2.1081 Oc1cccc2c1nccc2 271570a_203496583355_100011215545 [0,1,0,1,0,0|1,0,1]=4 13457 B12R2.1081 Oc1ccnc2c1cccc2 271570a_203496583355_100011215880 [0,1,0,1,0,0|1,0,1]=4 13458 B12R2.1081 Oc1cncc2c1cccc2 271570a_203496583355_100000187577 [0,1,0,1,0,0|2,0,0]=4 13459 B12R2.1081 Oc1cnnc2c1cccc2 271570a_203496583355_100000063506 [0,1,0,1,0,0|2,0,0]=4 13460 B12R2.1081 Oc1nccc2c1cccc2 271570a_203496583355_100011934041 [0,1,0,1,0,0|2,0,0]=4 13461 B12R2.32 C=Cc1cc2ccccc2[nH]1 271570a_100011290941_100010232065 [0,1,0,1,0,0|1,0,1]=4 13462 B12R2.32 C=Cc1cc2ccccc2o1 271570a_100011290941_100010159458 [0,1,0,1,0,0|0,0,1]=3 13463 B12R2.32 C=Cc1cc2ccccc2s1 271570a_100011290941_100009816949 [0,1,0,1,0,0|0,1,1]=4 13464 B12R2.32 C=Cc1nc2ccccc2[nH]1 271570a_100011290941_100009814255 [0,1,0,1,0,0|1,0,1]=4 13465 B12R2.32 C=Cc1nc2ccccc2s1 271570a_100011290941_100000751744 [0,1,0,1,0,0|0,1,1]=4 13466 B12R2.196 NC1COc2c1cccc2O 271570a_203496583355_100025715106 [0,1,0,1,0,0|1,0,1]=4 13467 B12R2.196 Nc1noc2c1cccc2O 271570a_203496583355_100010069758 [0,1,0,1,0,0|2,0,0]=4 13468 B12R2.196 O=C1CCc2c1cccc2O 271570a_203496583355_100000744605 [0,1,0,1,0,0|2,0,0]=4 13469 B12R2.196 O=C1COc2c1cccc2O 271570a_203496583355_100011230590 [0,1,0,1,0,0|1,0,0]=3 13470 B12R2.225 Brc1ccccc1OC2CC2 34a_100000181306_100000211595 [0,1,0,1,0,0|0,0,2]=4 13471 B12R2.225 Cc1ccccc1OC2CC2 34a_100000210338_100000211595 [0,1,0,1,0,0|0,0,2]=4 13472 B12R2.225 Clc1ccccc1OC2CC2 34a_100000210172_100000211595 [0,1,0,1,0,0|0,0,2]=4 13473 B12R2.225 Fc1ccccc1OC2CC2 34a_100000210171_100000211595 [0,1,0,1,0,0|0,0,2]=4 13474 B12R2.225 Ic1ccccc1OC2CC2 34a_100000739446_100000211595 [0,1,0,1,0,0|0,0,2]=4 13475 B12R2.225 Nc1ccccc1OC2CC2 34a_100000185747_100000211595 [0,1,0,1,0,0|0,0,2]=4 13476 B12R2.225 Oc1ccccc1OC2CC2 271570a_203496583355_100012344913 [0,1,0,1,0,0|0,0,2]=4 13477 B12R2.203 Nc1noc2c1c(ccc2)O 271570a_203496583355_100012361266 [0,1,0,1,0,0|2,0,0]=4 13478 B12R2.203 O=C1CCc2c1c(ccc2)O 271570a_203496583355_100009816781 [0,1,0,1,0,0|2,0,0]=4 13479 B12R2.203 O=C1COc2c1c(ccc2)O 271570a_203496583355_100010205902 [0,1,0,1,0,0|1,0,0]=3 13480 B12R2.612 Cc1coc2c1ccc(c2)O 271570a_203496583355_100010775837 [0,1,0,1,0,0|0,0,2]=4 13481 B12R2.612 Cc1noc2c1ccc(c2)O 271570a_203496583355_100009815287 [0,1,0,1,0,0|1,0,1]=4 13482 B12R2.612 NC1COc2c1ccc(c2)O 271570a_203496583355_100020628175 [0,1,0,1,0,0|1,0,1]=4 13483 B12R2.612 Nc1noc2c1ccc(c2)O 271570a_203496583355_100012356334 [0,1,0,1,0,0|2,0,0]=4 13484 B12R2.612 O=C1CCc2c1ccc(c2)O 271570a_203496583355_100000737041 [0,1,0,1,0,0|2,0,0]=4 13485 B12R2.612 O=C1COc2c1ccc(c2)O 271570a_203496583355_100000686717 [0,1,0,1,0,0|1,0,0]=3 13486 B12R2.612 Oc1ccc2c(noc2c1)O 271570a_203496583355_100000727085 [0,1,0,1,0,0|2,0,0]=4 13487 B12R2.1286 Brc1cccc(c1)OC2CC2 34a_100000210342_100000211595 [0,1,0,1,0,0|0,0,2]=4 13488 B12R2.1286 Cc1cccc(c1)OC2CC2 34a_100000210337_100000211595 [0,1,0,1,0,0|0,0,2]=4 13489 B12R2.1286 Clc1cccc(c1)OC2CC2 34a_100000210295_100000211595 [0,1,0,1,0,0|0,0,2]=4 13490 B12R2.1286 Fc1cccc(c1)OC2CC2 34a_100000210426_100000211595 [0,1,0,1,0,0|0,0,2]=4 13491 B12R2.1286 Ic1cccc(c1)OC2CC2 34a_100000211634_100000211595 [0,1,0,1,0,0|0,0,2]=4 13492 B12R2.1286 Nc1cccc(c1)OC2CC2 34a_100000210217_100000211595 [0,1,0,1,0,0|0,0,2]=4 13493 B12R2.1286 Oc1cccc(c1)OC2CC2 271570a_203496583355_100012344912 [0,1,0,1,0,0|0,0,2]=4 13494 B12R2.1 C=Cc1coc2c1cccc2 271570a_100011290941_100009812202 [0,1,0,1,0,0|0,0,1]=3 13495 B12R2.1 C=Cc1coc2c1nccc2 271570a_100011290941_100009889148 [0,1,0,1,0,0|1,0,1]=4 13496 B12R2.1 C=Cc1csc2c1cccc2 271570a_100011290941_100009813928 [0,1,0,1,0,0|0,1,1]=4 13497 B12R2.1 C=Cc1n[nH]c2c1cccc2 271570a_100011290941_100000050141 [0,1,0,1,0,0|1,0,1]=4 13498 B12R2.1 CNC1COc2c1cccc2 2230a_100000747519_200000210301 [0,1,0,1,0,0|0,0,2]=4 13499 B12R2.1 CSc1coc2c1cccc2 62a_200000210301_100009812202 [0,1,0,1,0,0|0,0,2]=4 13500 B12R2.1 CSc1noc2c1cccc2 62a_200000210301_200000703156 [0,1,0,1,0,0|1,0,1]=4 13501 B12R2.1 CSc1noc2c1cccc2 62a_200000703156_200000210301 [0,1,0,1,0,0|1,0,1]=4 13502 B12R2.1 [13CH3]NC1COc2c1cccc2 2230a_100000747519_200025704644 [0,1,0,1,0,0|0,0,2]=4 13503 B12R2.1 [13CH3]Sc1coc2c1cccc2 62a_200025704644_100009812202 [0,1,0,1,0,0|0,0,2]=4 13504 B12R2.1 [13CH3]Sc1noc2c1cccc2 62a_200000703156_200025704644 [0,1,0,1,0,0|1,0,1]=4 13505 B12R2.1 [13CH3]Sc1noc2c1cccc2 62a_200025704644_200000703156 [0,1,0,1,0,0|1,0,1]=4 13506 B12R2.2057 c1ccc(cc1)COC2CC2 34a_100000210790_100000211595 [0,1,0,1,0,0|0,0,2]=4 13507 B12R2.2057 c1ccc(cc1)OCC2CC2 34a_100000210340_100000742324 [0,1,0,1,0,0|0,0,2]=4 13508 B12R2.2057 c1ccc(cc1)OCC2CC2 7a_100000210340_100000742324 [0,1,0,1,0,0|0,0,2]=4 13509 B12R2.2057 c1ccc(cc1)OCC2CO2 34a_100000210340_102125554688 [0,1,0,1,0,0|0,0,2]=4 13510 B12R2.2057 c1ccc(cc1)OCC2CO2 7a_100000210340_102125554688 [0,1,0,1,0,0|0,0,2]=4 13511 B12R2.2057 c1ccc(cc1)OCC2CS2 7a_100000210340_100000031435 [0,1,0,1,0,0|0,0,2]=4 13512 B12R2.2057 c1ccc(cc1)OC[C@@H]2CO2 7a_100000210340_100000745022 [0,1,0,1,0,0|0,0,2]=4 13513 B12R2.2058 c1ccc(cc1)OC2CCC2 34a_100000210340_100000749161 [0,1,0,1,0,0|0,0,2]=4 13514 B12R2.2058 c1ccc(cc1)OC2COC2 34a_100000210340_100009818527 [0,1,0,1,0,0|0,0,2]=4 13515 B12R2.2058 c1ccc(cc1)OC2COC2 7a_100000210340_100009818527 [0,1,0,1,0,0|0,0,2]=4 13516 B12R2.18 Cc1oc2ccccc2c1O 271570a_203496583355_200010236113 [0,1,0,1,0,0|1,0,1]=4 13517 B12R2.3190 CC(=O)C1Cc2c1cccc2 1458a_200000238571_200000210301 [0,1,0,1,0,0|1,0,1]=4 13518 B12R2.3190 [13CH3]C(=O)C1Cc2c1cccc2 1458a_200000238571_200025704644 [0,1,0,1,0,0|1,0,1]=4 13519 B8R1.8 CCOc1ccsc1 34a_100000106738_100000210202 [1,0,0,0,1,0|1,0,1]=4 13520 B8R1.8 CCOc1ccsc1 7a_100000106738_100000210202 [1,0,0,0,1,0|1,0,1]=4 13521 B8R1.8 FCOc1ccsc1 34a_100000106738_100015361967 [1,0,0,0,1,0|2,0,0]=4 13522 B8R1.8 FCOc1ccsc1 7a_100000106738_100015361967 [1,0,0,0,1,0|2,0,0]=4 13523 B7R1.3 Oc1ccccc1 271570a_203496583355_100000210277 [3,0,0,0,0,0|0,0,0]=3 13524 B7R1.3 Oc1ccccn1 271570a_203496583355_100011216584 [3,0,0,0,0,0|1,0,0]=4 13525 B7R1.3 Oc1cccnc1 271570a_203496583355_100000752921 [3,0,0,0,0,0|1,0,0]=4 13526 B7R1.3 Oc1ccncc1 271570a_203496583355_100000035832 [3,0,0,0,0,0|1,0,0]=4 13527 B9R0.4 C=CC=CC(=O)CC(=C)C 1458a_100016291481_100000748629 [1,1,1,0,0,0|1,0,0]=4 13528 B9R0.4 C=CC=CC(=O)CC(=C)F 1458a_100016291481_100009893438 [1,1,1,0,0,0|1,0,0]=4 13529 B9R0.5 C=CCC(=O)C=C/C=C/C 1458a_100000185730_100000210623 [1,1,1,0,0,0|1,0,0]=4 13530 B9R0.43 C=CC(C=C)OCC(=C)C 34a_100000033096_100000748629 [1,1,1,0,0,0|0,0,1]=4 13531 B9R0.43 C=CC(C=C)OCC(=C)F 34a_100000033096_100009893438 [1,1,1,0,0,0|0,0,1]=4 13532 B9R0.50 C=CC(C=C)OC/C=C/C 34a_100000033096_100102629194 [1,1,1,0,0,0|0,0,1]=4 13533 B9R0.50 C=CC(C=C)OCC=CC 34a_100000033096_100000070051 [1,1,1,0,0,0|0,0,1]=4 13534 B9R0.50 C=CCCOC(C=C)C=C 34a_100000033096_100000754431 [1,1,1,0,0,0|0,0,1]=4 13535 B9R1.1 C=Cc1cc[n+](cc1)[O-] 271570a_100011290941_100000039755 [2,1,0,0,0,0|1,0,0]=4 13536 B9R1.1 C=Cc1ccc(=O)[nH]c1 271570a_100011290941_100000212171 [2,1,0,0,0,0|1,0,0]=4 13537 B9R1.1 C=Cc1ccc(cc1)Br 271570a_100011290941_100000752885 [2,1,0,0,0,0|0,0,0]=3 13538 B9R1.1 C=Cc1ccc(cc1)C 271570a_100011290941_100000186775 [2,1,0,0,0,0|0,0,0]=3 13539 B9R1.1 C=Cc1ccc(cc1)Cl 271570a_100011290941_100000755918 [2,1,0,0,0,0|0,0,0]=3 13540 B9R1.1 C=Cc1ccc(cc1)F 271570a_100011290941_100000211213 [2,1,0,0,0,0|0,0,0]=3 13541 B9R1.1 C=Cc1ccc(cc1)N 271570a_100011290941_100000185761 [2,1,0,0,0,0|0,0,0]=3 13542 B9R1.1 C=Cc1ccc(cc1)O 271570a_100011290941_100000185759 [2,1,0,0,0,0|0,0,0]=3 13543 B9R1.1 C=Cc1ccc(cn1)Br 271570a_100011290941_100000686858 [2,1,0,0,0,0|1,0,0]=4 13544 B9R1.1 C=Cc1ccc(cn1)C 271570a_100011290941_100000754016 [2,1,0,0,0,0|1,0,0]=4 13545 B9R1.1 C=Cc1ccc(cn1)Cl 271570a_100011290941_100011356976 [2,1,0,0,0,0|1,0,0]=4 13546 B9R1.1 C=Cc1ccc(cn1)F 271570a_100011290941_100000744514 [2,1,0,0,0,0|1,0,0]=4 13547 B9R1.1 C=Cc1ccc(cn1)N 271570a_100011290941_100000744251 [2,1,0,0,0,0|1,0,0]=4 13548 B9R1.1 C=Cc1ccc(cn1)O 271570a_100011290941_100000685995 [2,1,0,0,0,0|1,0,0]=4 13549 B9R1.1 C=Cc1ccc(nc1)Br 271570a_100011290941_100009814638 [2,1,0,0,0,0|1,0,0]=4 13550 B9R1.1 C=Cc1ccc(nc1)C 271570a_100011290941_100000751577 [2,1,0,0,0,0|1,0,0]=4 13551 B9R1.1 C=Cc1ccc(nc1)Cl 271570a_100011290941_100000034144 [2,1,0,0,0,0|1,0,0]=4 13552 B9R1.1 C=Cc1ccc(nc1)F 271570a_100011290941_100000748661 [2,1,0,0,0,0|1,0,0]=4 13553 B9R1.1 C=Cc1ccc(nc1)N 271570a_100011290941_100000187370 [2,1,0,0,0,0|1,0,0]=4 13554 B9R1.1 CCc1ccc(cc1)O 271570a_203496583355_100011215824 [2,1,0,0,0,0|0,0,1]=4 13555 B9R1.1 CNc1ccc(cc1)Br 2230a_100000210018_200000210301 [2,1,0,0,0,0|1,0,0]=4 13556 B9R1.1 CNc1ccc(cc1)Br 34a_100000210018_200000210301 [2,1,0,0,0,0|1,0,0]=4 13557 B9R1.1 CNc1ccc(cc1)C 34a_100000124888_200000210301 [2,1,0,0,0,0|1,0,0]=4 13558 B9R1.1 CNc1ccc(cc1)Cl 2230a_100000210052_200000210301 [2,1,0,0,0,0|1,0,0]=4 13559 B9R1.1 CNc1ccc(cc1)Cl 34a_100000210052_200000210301 [2,1,0,0,0,0|1,0,0]=4 13560 B9R1.1 CNc1ccc(cc1)F 34a_100000185862_200000210301 [2,1,0,0,0,0|1,0,0]=4 13561 B9R1.1 CNc1ccc(cc1)I 34a_100000185761_200000210301 [2,1,0,0,0,0|1,0,0]=4 13562 B9R1.1 CNc1ccc(cc1)O 271570a_203496583355_100000219623 [2,1,0,0,0,0|1,0,0]=4 13563 B9R1.1 CNc1ccc(cc1)O 34a_100000185829_200000210301 [2,1,0,0,0,0|1,0,0]=4 13564 B9R1.1 COc1ccc(=O)[nH]c1 34a_100000075641_200000210301 [2,1,0,0,0,0|1,0,0]=4 13565 B9R1.1 COc1ccc(cc1)Br 34a_100000185759_200000210301 [2,1,0,0,0,0|0,0,0]=3 13566 B9R1.1 COc1ccc(cc1)Br 7a_100000185759_200000210301 [2,1,0,0,0,0|0,0,0]=3 13567 B9R1.1 COc1ccc(cc1)C 34a_100000210336_200000210301 [2,1,0,0,0,0|0,0,0]=3 13568 B9R1.1 COc1ccc(cc1)C 7a_100000210336_200000210301 [2,1,0,0,0,0|0,0,0]=3 13569 B9R1.1 COc1ccc(cc1)Cl 34a_100000210216_200000210301 [2,1,0,0,0,0|0,0,0]=3 13570 B9R1.1 COc1ccc(cc1)Cl 7a_100000210216_200000210301 [2,1,0,0,0,0|0,0,0]=3 13571 B9R1.1 COc1ccc(cc1)F 34a_100000210339_200000210301 [2,1,0,0,0,0|0,0,0]=3 13572 B9R1.1 COc1ccc(cc1)I 34a_100000212066_200000210301 [2,1,0,0,0,0|0,0,0]=3 13573 B9R1.1 COc1ccc(cc1)I 7a_100000212066_200000210301 [2,1,0,0,0,0|0,0,0]=3 13574 B9R1.1 COc1ccc(cc1)N 34a_100000185829_200000210301 [2,1,0,0,0,0|0,0,0]=3 13575 B9R1.1 COc1ccc(cc1)O 271570a_203496583355_100000171711 [2,1,0,0,0,0|0,0,0]=3 13576 B9R1.1 COc1ccc(cn1)C 34a_100000759353_200000210301 [2,1,0,0,0,0|1,0,0]=4 13577 B9R1.1 COc1ccc(cn1)Cl 34a_100011215309_200000210301 [2,1,0,0,0,0|1,0,0]=4 13578 B9R1.1 COc1ccc(cn1)F 34a_100000742473_200000210301 [2,1,0,0,0,0|1,0,0]=4 13579 B9R1.1 COc1ccc(cn1)N 34a_100000729260_200000210301 [2,1,0,0,0,0|1,0,0]=4 13580 B9R1.1 COc1ccc(cn1)O 271570a_203496583355_100000047065 [2,1,0,0,0,0|1,0,0]=4 13581 B9R1.1 COc1ccc(nc1)Br 34a_100000685995_200000210301 [2,1,0,0,0,0|1,0,0]=4 13582 B9R1.1 COc1ccc(nc1)Br 7a_100000685995_200000210301 [2,1,0,0,0,0|1,0,0]=4 13583 B9R1.1 COc1ccc(nc1)C 34a_100000745506_200000210301 [2,1,0,0,0,0|1,0,0]=4 13584 B9R1.1 COc1ccc(nc1)C 7a_100000745506_200000210301 [2,1,0,0,0,0|1,0,0]=4 13585 B9R1.1 COc1ccc(nc1)Cl 34a_100000744096_200000210301 [2,1,0,0,0,0|1,0,0]=4 13586 B9R1.1 COc1ccc(nc1)Cl 7a_100000744096_200000210301 [2,1,0,0,0,0|1,0,0]=4 13587 B9R1.1 COc1ccc(nc1)F 34a_100000688820_200000210301 [2,1,0,0,0,0|1,0,0]=4 13588 B9R1.1 COc1ccc(nc1)F 7a_100000688820_200000210301 [2,1,0,0,0,0|1,0,0]=4 13589 B9R1.1 COc1ccc(nc1)I 34a_100000687607_200000210301 [2,1,0,0,0,0|1,0,0]=4 13590 B9R1.1 COc1ccc(nc1)I 7a_100000687607_200000210301 [2,1,0,0,0,0|1,0,0]=4 13591 B9R1.1 COc1ccc(nc1)N 34a_100015188713_200000210301 [2,1,0,0,0,0|1,0,0]=4 13592 B9R1.1 COc1ccc(nc1)N 7a_100015188713_200000210301 [2,1,0,0,0,0|1,0,0]=4 13593 B9R1.1 COc1ccc(nc1)O 271570a_203496583355_100000755202 [2,1,0,0,0,0|1,0,0]=4 13594 B9R1.1 CSc1ccc(cc1)Br 62a_100000752885_200000210301 [2,1,0,0,0,0|0,1,0]=4 13595 B9R1.1 CSc1ccc(cc1)Br 62a_200000210301_100000752885 [2,1,0,0,0,0|0,1,0]=4 13596 B9R1.1 CSc1ccc(cc1)C 62a_100000186775_200000210301 [2,1,0,0,0,0|0,1,0]=4 13597 B9R1.1 CSc1ccc(cc1)C 62a_200000210301_100000186775 [2,1,0,0,0,0|0,1,0]=4 13598 B9R1.1 CSc1ccc(cc1)Cl 62a_100000755918_200000210301 [2,1,0,0,0,0|0,1,0]=4 13599 B9R1.1 CSc1ccc(cc1)Cl 62a_200000210301_100000755918 [2,1,0,0,0,0|0,1,0]=4 13600 B9R1.1 CSc1ccc(cc1)F 62a_100000211213_200000210301 [2,1,0,0,0,0|0,1,0]=4 13601 B9R1.1 CSc1ccc(cc1)F 62a_200000210301_100000211213 [2,1,0,0,0,0|0,1,0]=4 13602 B9R1.1 CSc1ccc(cc1)N 62a_100000185761_200000210301 [2,1,0,0,0,0|0,1,0]=4 13603 B9R1.1 CSc1ccc(cc1)N 62a_200000210301_100000185761 [2,1,0,0,0,0|0,1,0]=4 13604 B9R1.1 CSc1ccc(cc1)O 271570a_203496583355_100011263217 [2,1,0,0,0,0|0,1,0]=4 13605 B9R1.1 CSc1ccc(cc1)O 62a_200000210301_100000185759 [2,1,0,0,0,0|0,1,0]=4 13606 B9R1.1 Cc1ccc(cc1)N[13CH3] 34a_100000124888_200025704644 [2,1,0,0,0,0|1,0,0]=4 13607 B9R1.1 Cc1ccc(cc1)O[13CH3] 34a_100000210336_200025704644 [2,1,0,0,0,0|0,0,0]=3 13608 B9R1.1 Cc1ccc(cc1)O[13CH3] 7a_100000210336_200025704644 [2,1,0,0,0,0|0,0,0]=3 13609 B9R1.1 Cc1ccc(cc1)S[13CH3] 62a_100000186775_200025704644 [2,1,0,0,0,0|0,1,0]=4 13610 B9R1.1 Cc1ccc(cc1)S[13CH3] 62a_200025704644_100000186775 [2,1,0,0,0,0|0,1,0]=4 13611 B9R1.1 Cc1ccc(cn1)O[13CH3] 34a_100000745506_200025704644 [2,1,0,0,0,0|1,0,0]=4 13612 B9R1.1 Cc1ccc(cn1)O[13CH3] 7a_100000745506_200025704644 [2,1,0,0,0,0|1,0,0]=4 13613 B9R1.1 Cc1ccc(nc1)O[13CH3] 34a_100000759353_200025704644 [2,1,0,0,0,0|1,0,0]=4 13614 B9R1.1 NCc1ccc(cc1)O 271570a_203496583355_100016989417 [2,1,0,0,0,0|1,0,0]=4 13615 B9R1.1 O=Cc1ccc(cc1)O 271570a_203496583355_100000186029 [2,1,0,0,0,0|1,0,0]=4 13616 B9R1.1 OCc1ccc(cc1)O 271570a_203496583355_100000690907 [2,1,0,0,0,0|1,0,0]=4 13617 B9R1.1 Oc1ccc(cc1)CF 271570a_203496583355_100010268989 [2,1,0,0,0,0|1,0,0]=4 13618 B9R1.1 [13CH3]Nc1ccc(cc1)Br 2230a_100000210018_200025704644 [2,1,0,0,0,0|1,0,0]=4 13619 B9R1.1 [13CH3]Nc1ccc(cc1)Br 34a_100000210018_200025704644 [2,1,0,0,0,0|1,0,0]=4 13620 B9R1.1 [13CH3]Nc1ccc(cc1)Cl 2230a_100000210052_200025704644 [2,1,0,0,0,0|1,0,0]=4 13621 B9R1.1 [13CH3]Nc1ccc(cc1)Cl 34a_100000210052_200025704644 [2,1,0,0,0,0|1,0,0]=4 13622 B9R1.1 [13CH3]Nc1ccc(cc1)F 34a_100000185862_200025704644 [2,1,0,0,0,0|1,0,0]=4 13623 B9R1.1 [13CH3]Nc1ccc(cc1)I 34a_100000185761_200025704644 [2,1,0,0,0,0|1,0,0]=4 13624 B9R1.1 [13CH3]Nc1ccc(cc1)O 34a_100000185829_200025704644 [2,1,0,0,0,0|1,0,0]=4 13625 B9R1.1 [13CH3]Oc1ccc(=O)[nH]c1 34a_100000075641_200025704644 [2,1,0,0,0,0|1,0,0]=4 13626 B9R1.1 [13CH3]Oc1ccc(cc1)Br 34a_100000185759_200025704644 [2,1,0,0,0,0|0,0,0]=3 13627 B9R1.1 [13CH3]Oc1ccc(cc1)Br 7a_100000185759_200025704644 [2,1,0,0,0,0|0,0,0]=3 13628 B9R1.1 [13CH3]Oc1ccc(cc1)Cl 34a_100000210216_200025704644 [2,1,0,0,0,0|0,0,0]=3 13629 B9R1.1 [13CH3]Oc1ccc(cc1)Cl 7a_100000210216_200025704644 [2,1,0,0,0,0|0,0,0]=3 13630 B9R1.1 [13CH3]Oc1ccc(cc1)F 34a_100000210339_200025704644 [2,1,0,0,0,0|0,0,0]=3 13631 B9R1.1 [13CH3]Oc1ccc(cc1)I 34a_100000212066_200025704644 [2,1,0,0,0,0|0,0,0]=3 13632 B9R1.1 [13CH3]Oc1ccc(cc1)I 7a_100000212066_200025704644 [2,1,0,0,0,0|0,0,0]=3 13633 B9R1.1 [13CH3]Oc1ccc(cc1)N 34a_100000185829_200025704644 [2,1,0,0,0,0|0,0,0]=3 13634 B9R1.1 [13CH3]Oc1ccc(cn1)Cl 34a_100011215309_200025704644 [2,1,0,0,0,0|1,0,0]=4 13635 B9R1.1 [13CH3]Oc1ccc(cn1)F 34a_100000742473_200025704644 [2,1,0,0,0,0|1,0,0]=4 13636 B9R1.1 [13CH3]Oc1ccc(cn1)N 34a_100000729260_200025704644 [2,1,0,0,0,0|1,0,0]=4 13637 B9R1.1 [13CH3]Oc1ccc(nc1)Br 34a_100000685995_200025704644 [2,1,0,0,0,0|1,0,0]=4 13638 B9R1.1 [13CH3]Oc1ccc(nc1)Br 7a_100000685995_200025704644 [2,1,0,0,0,0|1,0,0]=4 13639 B9R1.1 [13CH3]Oc1ccc(nc1)Cl 34a_100000744096_200025704644 [2,1,0,0,0,0|1,0,0]=4 13640 B9R1.1 [13CH3]Oc1ccc(nc1)Cl 7a_100000744096_200025704644 [2,1,0,0,0,0|1,0,0]=4 13641 B9R1.1 [13CH3]Oc1ccc(nc1)F 34a_100000688820_200025704644 [2,1,0,0,0,0|1,0,0]=4 13642 B9R1.1 [13CH3]Oc1ccc(nc1)F 7a_100000688820_200025704644 [2,1,0,0,0,0|1,0,0]=4 13643 B9R1.1 [13CH3]Oc1ccc(nc1)I 34a_100000687607_200025704644 [2,1,0,0,0,0|1,0,0]=4 13644 B9R1.1 [13CH3]Oc1ccc(nc1)I 7a_100000687607_200025704644 [2,1,0,0,0,0|1,0,0]=4 13645 B9R1.1 [13CH3]Oc1ccc(nc1)N 34a_100015188713_200025704644 [2,1,0,0,0,0|1,0,0]=4 13646 B9R1.1 [13CH3]Oc1ccc(nc1)N 7a_100015188713_200025704644 [2,1,0,0,0,0|1,0,0]=4 13647 B9R1.1 [13CH3]Sc1ccc(cc1)Br 62a_100000752885_200025704644 [2,1,0,0,0,0|0,1,0]=4 13648 B9R1.1 [13CH3]Sc1ccc(cc1)Br 62a_200025704644_100000752885 [2,1,0,0,0,0|0,1,0]=4 13649 B9R1.1 [13CH3]Sc1ccc(cc1)Cl 62a_100000755918_200025704644 [2,1,0,0,0,0|0,1,0]=4 13650 B9R1.1 [13CH3]Sc1ccc(cc1)Cl 62a_200025704644_100000755918 [2,1,0,0,0,0|0,1,0]=4 13651 B9R1.1 [13CH3]Sc1ccc(cc1)F 62a_100000211213_200025704644 [2,1,0,0,0,0|0,1,0]=4 13652 B9R1.1 [13CH3]Sc1ccc(cc1)F 62a_200025704644_100000211213 [2,1,0,0,0,0|0,1,0]=4 13653 B9R1.1 [13CH3]Sc1ccc(cc1)N 62a_100000185761_200025704644 [2,1,0,0,0,0|0,1,0]=4 13654 B9R1.1 [13CH3]Sc1ccc(cc1)N 62a_200025704644_100000185761 [2,1,0,0,0,0|0,1,0]=4 13655 B9R1.1 [13CH3]Sc1ccc(cc1)O 62a_200025704644_100000185759 [2,1,0,0,0,0|0,1,0]=4 13656 B9R1.2 C=Cc1cc(ccn1)C 271570a_100011290941_100000750283 [2,1,0,0,0,0|1,0,0]=4 13657 B9R1.2 C=Cc1cc(ccn1)Cl 271570a_100011290941_100010167805 [2,1,0,0,0,0|1,0,0]=4 13658 B9R1.2 C=Cc1cc(ccn1)F 271570a_100011290941_100009817058 [2,1,0,0,0,0|1,0,0]=4 13659 B9R1.2 C=Cc1cc(ccn1)N 271570a_100011290941_100009814236 [2,1,0,0,0,0|1,0,0]=4 13660 B9R1.2 C=Cc1cc(ccn1)O 271570a_100011290941_100000762945 [2,1,0,0,0,0|1,0,0]=4 13661 B9R1.2 C=Cc1cc[nH]c(=O)c1 271570a_100011290941_100009816521 [2,1,0,0,0,0|1,0,0]=4 13662 B9R1.2 C=Cc1ccc[n+](c1)C 271570a_100011290941_100009996589 [2,1,0,0,0,0|1,0,0]=4 13663 B9R1.2 C=Cc1ccc[n+](c1)[O-] 271570a_100011290941_100009815978 [2,1,0,0,0,0|1,0,0]=4 13664 B9R1.2 C=Cc1cccc(=O)[nH]1 271570a_100011290941_100000761760 [2,1,0,0,0,0|1,0,0]=4 13665 B9R1.2 C=Cc1cccc(c1)Br 271570a_100011290941_100000691529 [2,1,0,0,0,0|0,0,0]=3 13666 B9R1.2 C=Cc1cccc(c1)C 271570a_100011290941_100011215228 [2,1,0,0,0,0|0,0,0]=3 13667 B9R1.2 C=Cc1cccc(c1)Cl 271570a_100011290941_100000699651 [2,1,0,0,0,0|0,0,0]=3 13668 B9R1.2 C=Cc1cccc(c1)F 271570a_100011290941_100000685547 [2,1,0,0,0,0|0,0,0]=3 13669 B9R1.2 C=Cc1cccc(c1)N 271570a_100011290941_100000210019 [2,1,0,0,0,0|0,0,0]=3 13670 B9R1.2 C=Cc1cccc(c1)O 271570a_100011290941_100000211634 [2,1,0,0,0,0|0,0,0]=3 13671 B9R1.2 C=Cc1cccc(c1)[S] 271570a_100011290941_114929384022 [2,1,0,0,0,0|0,0,0]=3 13672 B9R1.2 C=Cc1cccc(n1)Br 271570a_100011290941_100000684672 [2,1,0,0,0,0|1,0,0]=4 13673 B9R1.2 C=Cc1cccc(n1)C 271570a_100011290941_100000742759 [2,1,0,0,0,0|1,0,0]=4 13674 B9R1.2 C=Cc1cccc(n1)F 271570a_100011290941_100009815982 [2,1,0,0,0,0|1,0,0]=4 13675 B9R1.2 C=Cc1cccc(n1)N 271570a_100011290941_100000740741 [2,1,0,0,0,0|1,0,0]=4 13676 B9R1.2 C=Cc1ccnc(c1)Br 271570a_100011290941_100009814637 [2,1,0,0,0,0|1,0,0]=4 13677 B9R1.2 C=Cc1ccnc(c1)C 271570a_100011290941_100000758586 [2,1,0,0,0,0|1,0,0]=4 13678 B9R1.2 C=Cc1ccnc(c1)Cl 271570a_100011290941_100000035001 [2,1,0,0,0,0|1,0,0]=4 13679 B9R1.2 C=Cc1ccnc(c1)F 271570a_100011290941_100009816116 [2,1,0,0,0,0|1,0,0]=4 13680 B9R1.2 C=Cc1ccnc(c1)N 271570a_100011290941_100000744379 [2,1,0,0,0,0|1,0,0]=4 13681 B9R1.2 C=Cc1cncc(c1)Br 271570a_100011290941_100000728054 [2,1,0,0,0,0|1,0,0]=4 13682 B9R1.2 C=Cc1cncc(c1)C 271570a_100011290941_100000760492 [2,1,0,0,0,0|1,0,0]=4 13683 B9R1.2 C=Cc1cncc(c1)Cl 271570a_100011290941_100000049639 [2,1,0,0,0,0|1,0,0]=4 13684 B9R1.2 C=Cc1cncc(c1)F 271570a_100011290941_100000744099 [2,1,0,0,0,0|1,0,0]=4 13685 B9R1.2 C=Cc1cncc(c1)N 271570a_100011290941_100000687067 [2,1,0,0,0,0|1,0,0]=4 13686 B9R1.2 C=Cc1cncc(c1)O 271570a_100011290941_100000754920 [2,1,0,0,0,0|1,0,0]=4 13687 B9R1.2 CCc1cccc(c1)O 271570a_203496583355_100000684523 [2,1,0,0,0,0|0,0,1]=4 13688 B9R1.2 CNc1cccc(c1)Br 34a_100000210019_200000210301 [2,1,0,0,0,0|1,0,0]=4 13689 B9R1.2 CNc1cccc(c1)C 2230a_100000188690_200000210301 [2,1,0,0,0,0|1,0,0]=4 13690 B9R1.2 CNc1cccc(c1)C 34a_100000188690_200000210301 [2,1,0,0,0,0|1,0,0]=4 13691 B9R1.2 CNc1cccc(c1)Cl 34a_100000185859_200000210301 [2,1,0,0,0,0|1,0,0]=4 13692 B9R1.2 CNc1cccc(c1)F 34a_100000210047_200000210301 [2,1,0,0,0,0|1,0,0]=4 13693 B9R1.2 CNc1cccc(c1)I 34a_100000211102_200000210301 [2,1,0,0,0,0|1,0,0]=4 13694 B9R1.2 CNc1cccc(c1)O 271570a_203496583355_100000219648 [2,1,0,0,0,0|1,0,0]=4 13695 B9R1.2 CNc1cccc(c1)O 34a_100000210217_200000210301 [2,1,0,0,0,0|1,0,0]=4 13696 B9R1.2 COc1cc(ccn1)O 271570a_203496583355_100000117307 [2,1,0,0,0,0|1,0,0]=4 13697 B9R1.2 COc1cc[nH]c(=O)c1 34a_100000032262_200000210301 [2,1,0,0,0,0|1,0,0]=4 13698 B9R1.2 COc1ccc[n+](c1)[O-] 34a_100000039713_200000210301 [2,1,0,0,0,0|1,0,0]=4 13699 B9R1.2 COc1ccc[n+](c1)[O-] 7a_100000039713_200000210301 [2,1,0,0,0,0|1,0,0]=4 13700 B9R1.2 COc1cccc(=O)[nH]1 34a_100000033347_200000210301 [2,1,0,0,0,0|1,0,0]=4 13701 B9R1.2 COc1cccc(c1)Br 34a_100000210342_200000210301 [2,1,0,0,0,0|0,0,0]=3 13702 B9R1.2 COc1cccc(c1)Br 7a_100000210342_200000210301 [2,1,0,0,0,0|0,0,0]=3 13703 B9R1.2 COc1cccc(c1)C 34a_100000210337_200000210301 [2,1,0,0,0,0|0,0,0]=3 13704 B9R1.2 COc1cccc(c1)C 7a_100000210337_200000210301 [2,1,0,0,0,0|0,0,0]=3 13705 B9R1.2 COc1cccc(c1)Cl 34a_100000210295_200000210301 [2,1,0,0,0,0|0,0,0]=3 13706 B9R1.2 COc1cccc(c1)Cl 7a_100000210295_200000210301 [2,1,0,0,0,0|0,0,0]=3 13707 B9R1.2 COc1cccc(c1)F 34a_100000210426_200000210301 [2,1,0,0,0,0|0,0,0]=3 13708 B9R1.2 COc1cccc(c1)F 7a_100000210426_200000210301 [2,1,0,0,0,0|0,0,0]=3 13709 B9R1.2 COc1cccc(c1)I 34a_100000211634_200000210301 [2,1,0,0,0,0|0,0,0]=3 13710 B9R1.2 COc1cccc(c1)I 7a_100000211634_200000210301 [2,1,0,0,0,0|0,0,0]=3 13711 B9R1.2 COc1cccc(c1)N 34a_100000210217_200000210301 [2,1,0,0,0,0|0,0,0]=3 13712 B9R1.2 COc1cccc(c1)O 271570a_203496583355_100000170001 [2,1,0,0,0,0|0,0,0]=3 13713 B9R1.2 COc1cccc(n1)F 34a_100011432558_200000210301 [2,1,0,0,0,0|1,0,0]=4 13714 B9R1.2 COc1cccc(n1)O 271570a_203496583355_100000760917 [2,1,0,0,0,0|1,0,0]=4 13715 B9R1.2 COc1ccnc(c1)C 34a_100000688365_200000210301 [2,1,0,0,0,0|1,0,0]=4 13716 B9R1.2 COc1ccnc(c1)Cl 34a_100000762945_200000210301 [2,1,0,0,0,0|1,0,0]=4 13717 B9R1.2 COc1ccnc(c1)F 34a_100000732698_200000210301 [2,1,0,0,0,0|1,0,0]=4 13718 B9R1.2 COc1ccnc(c1)N 34a_100011834064_200000210301 [2,1,0,0,0,0|1,0,0]=4 13719 B9R1.2 COc1ccnc(c1)O 271570a_203496583355_100011216251 [2,1,0,0,0,0|1,0,0]=4 13720 B9R1.2 COc1cncc(c1)Br 34a_100000754920_200000210301 [2,1,0,0,0,0|1,0,0]=4 13721 B9R1.2 COc1cncc(c1)Br 7a_100000754920_200000210301 [2,1,0,0,0,0|1,0,0]=4 13722 B9R1.2 COc1cncc(c1)C 34a_100011830280_200000210301 [2,1,0,0,0,0|1,0,0]=4 13723 B9R1.2 COc1cncc(c1)C 7a_100011830280_200000210301 [2,1,0,0,0,0|1,0,0]=4 13724 B9R1.2 COc1cncc(c1)Cl 7a_100000032511_200000210301 [2,1,0,0,0,0|1,0,0]=4 13725 B9R1.2 COc1cncc(c1)F 34a_100011830296_200000210301 [2,1,0,0,0,0|1,0,0]=4 13726 B9R1.2 COc1cncc(c1)F 7a_100011830296_200000210301 [2,1,0,0,0,0|1,0,0]=4 13727 B9R1.2 COc1cncc(c1)N 34a_100011997051_200000210301 [2,1,0,0,0,0|1,0,0]=4 13728 B9R1.2 COc1cncc(c1)O 271570a_203496583355_100000684773 [2,1,0,0,0,0|1,0,0]=4 13729 B9R1.2 CSc1cccc(c1)Br 62a_100000691529_200000210301 [2,1,0,0,0,0|0,1,0]=4 13730 B9R1.2 CSc1cccc(c1)Br 62a_200000210301_100000691529 [2,1,0,0,0,0|0,1,0]=4 13731 B9R1.2 CSc1cccc(c1)C 62a_100011215228_200000210301 [2,1,0,0,0,0|0,1,0]=4 13732 B9R1.2 CSc1cccc(c1)C 62a_200000210301_100011215228 [2,1,0,0,0,0|0,1,0]=4 13733 B9R1.2 CSc1cccc(c1)Cl 62a_100000699651_200000210301 [2,1,0,0,0,0|0,1,0]=4 13734 B9R1.2 CSc1cccc(c1)Cl 62a_200000210301_100000699651 [2,1,0,0,0,0|0,1,0]=4 13735 B9R1.2 CSc1cccc(c1)F 62a_100000685547_200000210301 [2,1,0,0,0,0|0,1,0]=4 13736 B9R1.2 CSc1cccc(c1)F 62a_200000210301_100000685547 [2,1,0,0,0,0|0,1,0]=4 13737 B9R1.2 CSc1cccc(c1)N 62a_100000210019_200000210301 [2,1,0,0,0,0|0,1,0]=4 13738 B9R1.2 CSc1cccc(c1)N 62a_200000210301_100000210019 [2,1,0,0,0,0|0,1,0]=4 13739 B9R1.2 CSc1cccc(c1)O 271570a_203496583355_100011215954 [2,1,0,0,0,0|0,1,0]=4 13740 B9R1.2 CSc1cccc(c1)O 62a_200000210301_100000211634 [2,1,0,0,0,0|0,1,0]=4 13741 B9R1.2 CSc1cccc(c1)[S] 62a_114929384022_200000210301 [2,1,0,0,0,0|0,1,0]=4 13742 B9R1.2 CSc1cccc(c1)[S] 62a_200000210301_114929384022 [2,1,0,0,0,0|0,1,0]=4 13743 B9R1.2 Cc1cc(ccn1)O[13CH3] 34a_100000688365_200025704644 [2,1,0,0,0,0|1,0,0]=4 13744 B9R1.2 Cc1cccc(c1)N[13CH3] 2230a_100000188690_200025704644 [2,1,0,0,0,0|1,0,0]=4 13745 B9R1.2 Cc1cccc(c1)N[13CH3] 34a_100000188690_200025704644 [2,1,0,0,0,0|1,0,0]=4 13746 B9R1.2 Cc1cccc(c1)O[13CH3] 34a_100000210337_200025704644 [2,1,0,0,0,0|0,0,0]=3 13747 B9R1.2 Cc1cccc(c1)O[13CH3] 7a_100000210337_200025704644 [2,1,0,0,0,0|0,0,0]=3 13748 B9R1.2 Cc1cccc(c1)S[13CH3] 62a_100011215228_200025704644 [2,1,0,0,0,0|0,1,0]=4 13749 B9R1.2 Cc1cccc(c1)S[13CH3] 62a_200025704644_100011215228 [2,1,0,0,0,0|0,1,0]=4 13750 B9R1.2 Cc1cncc(c1)O[13CH3] 34a_100011830280_200025704644 [2,1,0,0,0,0|1,0,0]=4 13751 B9R1.2 Cc1cncc(c1)O[13CH3] 7a_100011830280_200025704644 [2,1,0,0,0,0|1,0,0]=4 13752 B9R1.2 NCc1cccc(c1)O 271570a_203496583355_100000106179 [2,1,0,0,0,0|1,0,0]=4 13753 B9R1.2 O=Cc1cccc(c1)O 271570a_203496583355_100000014684 [2,1,0,0,0,0|1,0,0]=4 13754 B9R1.2 OCc1cccc(c1)O 271570a_203496583355_100000687537 [2,1,0,0,0,0|1,0,0]=4 13755 B9R1.2 Oc1cccc(c1)CF 271570a_203496583355_100010878472 [2,1,0,0,0,0|1,0,0]=4 13756 B9R1.2 [13CH3]Nc1cccc(c1)Br 34a_100000210019_200025704644 [2,1,0,0,0,0|1,0,0]=4 13757 B9R1.2 [13CH3]Nc1cccc(c1)Cl 34a_100000185859_200025704644 [2,1,0,0,0,0|1,0,0]=4 13758 B9R1.2 [13CH3]Nc1cccc(c1)F 34a_100000210047_200025704644 [2,1,0,0,0,0|1,0,0]=4 13759 B9R1.2 [13CH3]Nc1cccc(c1)I 34a_100000211102_200025704644 [2,1,0,0,0,0|1,0,0]=4 13760 B9R1.2 [13CH3]Nc1cccc(c1)O 34a_100000210217_200025704644 [2,1,0,0,0,0|1,0,0]=4 13761 B9R1.2 [13CH3]Oc1cc[nH]c(=O)c1 34a_100000032262_200025704644 [2,1,0,0,0,0|1,0,0]=4 13762 B9R1.2 [13CH3]Oc1ccc[n+](c1)[O-] 34a_100000039713_200025704644 [2,1,0,0,0,0|1,0,0]=4 13763 B9R1.2 [13CH3]Oc1ccc[n+](c1)[O-] 7a_100000039713_200025704644 [2,1,0,0,0,0|1,0,0]=4 13764 B9R1.2 [13CH3]Oc1cccc(=O)[nH]1 34a_100000033347_200025704644 [2,1,0,0,0,0|1,0,0]=4 13765 B9R1.2 [13CH3]Oc1cccc(c1)Br 34a_100000210342_200025704644 [2,1,0,0,0,0|0,0,0]=3 13766 B9R1.2 [13CH3]Oc1cccc(c1)Br 7a_100000210342_200025704644 [2,1,0,0,0,0|0,0,0]=3 13767 B9R1.2 [13CH3]Oc1cccc(c1)Cl 34a_100000210295_200025704644 [2,1,0,0,0,0|0,0,0]=3 13768 B9R1.2 [13CH3]Oc1cccc(c1)Cl 7a_100000210295_200025704644 [2,1,0,0,0,0|0,0,0]=3 13769 B9R1.2 [13CH3]Oc1cccc(c1)F 34a_100000210426_200025704644 [2,1,0,0,0,0|0,0,0]=3 13770 B9R1.2 [13CH3]Oc1cccc(c1)F 7a_100000210426_200025704644 [2,1,0,0,0,0|0,0,0]=3 13771 B9R1.2 [13CH3]Oc1cccc(c1)I 34a_100000211634_200025704644 [2,1,0,0,0,0|0,0,0]=3 13772 B9R1.2 [13CH3]Oc1cccc(c1)I 7a_100000211634_200025704644 [2,1,0,0,0,0|0,0,0]=3 13773 B9R1.2 [13CH3]Oc1cccc(c1)N 34a_100000210217_200025704644 [2,1,0,0,0,0|0,0,0]=3 13774 B9R1.2 [13CH3]Oc1cccc(n1)F 34a_100011432558_200025704644 [2,1,0,0,0,0|1,0,0]=4 13775 B9R1.2 [13CH3]Oc1ccnc(c1)Cl 34a_100000762945_200025704644 [2,1,0,0,0,0|1,0,0]=4 13776 B9R1.2 [13CH3]Oc1ccnc(c1)F 34a_100000732698_200025704644 [2,1,0,0,0,0|1,0,0]=4 13777 B9R1.2 [13CH3]Oc1ccnc(c1)N 34a_100011834064_200025704644 [2,1,0,0,0,0|1,0,0]=4 13778 B9R1.2 [13CH3]Oc1cncc(c1)Br 34a_100000754920_200025704644 [2,1,0,0,0,0|1,0,0]=4 13779 B9R1.2 [13CH3]Oc1cncc(c1)Br 7a_100000754920_200025704644 [2,1,0,0,0,0|1,0,0]=4 13780 B9R1.2 [13CH3]Oc1cncc(c1)Cl 7a_100000032511_200025704644 [2,1,0,0,0,0|1,0,0]=4 13781 B9R1.2 [13CH3]Oc1cncc(c1)F 34a_100011830296_200025704644 [2,1,0,0,0,0|1,0,0]=4 13782 B9R1.2 [13CH3]Oc1cncc(c1)F 7a_100011830296_200025704644 [2,1,0,0,0,0|1,0,0]=4 13783 B9R1.2 [13CH3]Oc1cncc(c1)N 34a_100011997051_200025704644 [2,1,0,0,0,0|1,0,0]=4 13784 B9R1.2 [13CH3]Sc1cccc(c1)Br 62a_100000691529_200025704644 [2,1,0,0,0,0|0,1,0]=4 13785 B9R1.2 [13CH3]Sc1cccc(c1)Br 62a_200025704644_100000691529 [2,1,0,0,0,0|0,1,0]=4 13786 B9R1.2 [13CH3]Sc1cccc(c1)Cl 62a_100000699651_200025704644 [2,1,0,0,0,0|0,1,0]=4 13787 B9R1.2 [13CH3]Sc1cccc(c1)Cl 62a_200025704644_100000699651 [2,1,0,0,0,0|0,1,0]=4 13788 B9R1.2 [13CH3]Sc1cccc(c1)F 62a_100000685547_200025704644 [2,1,0,0,0,0|0,1,0]=4 13789 B9R1.2 [13CH3]Sc1cccc(c1)F 62a_200025704644_100000685547 [2,1,0,0,0,0|0,1,0]=4 13790 B9R1.2 [13CH3]Sc1cccc(c1)N 62a_100000210019_200025704644 [2,1,0,0,0,0|0,1,0]=4 13791 B9R1.2 [13CH3]Sc1cccc(c1)N 62a_200025704644_100000210019 [2,1,0,0,0,0|0,1,0]=4 13792 B9R1.2 [13CH3]Sc1cccc(c1)O 62a_200025704644_100000211634 [2,1,0,0,0,0|0,1,0]=4 13793 B9R1.2 [13CH3]Sc1cccc(c1)[S] 62a_114929384022_200025704644 [2,1,0,0,0,0|0,1,0]=4 13794 B9R1.2 [13CH3]Sc1cccc(c1)[S] 62a_200025704644_114929384022 [2,1,0,0,0,0|0,1,0]=4 13795 B9R1.6 C=C(C)c1ccccc1 271570a_100000694244_100000210277 [2,1,0,0,0,0|0,0,0]=3 13796 B9R1.6 C=C(C)c1ccccn1 271570a_100000694244_100011216584 [2,1,0,0,0,0|1,0,0]=4 13797 B9R1.6 C=C(C)c1cccnc1 271570a_100000694244_100000752921 [2,1,0,0,0,0|1,0,0]=4 13798 B9R1.6 C=C(C)c1ccncc1 271570a_100000694244_100000035832 [2,1,0,0,0,0|1,0,0]=4 13799 B9R1.6 CC(=O)c1ccccc1 1458a_100000185807_200000210301 [2,1,0,0,0,0|0,0,1]=4 13800 B9R1.6 CN(C)c1ccccc1 2230a_100000210012_200000210301 [2,1,0,0,0,0|1,0,0]=4 13801 B9R1.6 CN(C)c1ccccc1 269982a_100000210012_200000210301 [2,1,0,0,0,0|1,0,0]=4 13802 B9R1.6 CN(C)c1ccccc1 34a_100000210012_200000210301 [2,1,0,0,0,0|1,0,0]=4 13803 B9R1.6 CN([13CH3])c1ccccc1 2230a_100000210012_200025704644 [2,1,0,0,0,0|1,0,0]=4 13804 B9R1.6 CN([13CH3])c1ccccc1 269982a_100000210012_200025704644 [2,1,0,0,0,0|1,0,0]=4 13805 B9R1.6 CN([13CH3])c1ccccc1 34a_100000210012_200025704644 [2,1,0,0,0,0|1,0,0]=4 13806 B9R1.6 [13CH3]C(=O)c1ccccc1 1458a_100000185807_200025704644 [2,1,0,0,0,0|0,0,1]=4 13807 B9R1.15 C=Cc1c[nH]ccc1=O 271570a_100011290941_100009998708 [2,1,0,0,0,0|1,0,0]=4 13808 B9R1.15 C=Cc1c[nH]ccc1=S 271570a_100011290941_200012280681 [2,1,0,0,0,0|1,0,0]=4 13809 B9R1.15 C=Cc1ccc[nH]c1=O 271570a_100011290941_100000050042 [2,1,0,0,0,0|1,0,0]=4 13810 B9R1.15 C=Cc1cccc[n+]1C 271570a_100011290941_100000212160 [2,1,0,0,0,0|1,0,0]=4 13811 B9R1.15 C=Cc1cccc[n+]1[O-] 271570a_100011290941_200000042595 [2,1,0,0,0,0|1,0,0]=4 13812 B9R1.15 C=Cc1ccccc1Br 271570a_100011290941_100000695589 [2,1,0,0,0,0|0,0,0]=3 13813 B9R1.15 C=Cc1ccccc1C 271570a_100011290941_100000210755 [2,1,0,0,0,0|0,0,0]=3 13814 B9R1.15 C=Cc1ccccc1Cl 271570a_100011290941_100000764095 [2,1,0,0,0,0|0,0,0]=3 13815 B9R1.15 C=Cc1ccccc1F 271570a_100011290941_100011215700 [2,1,0,0,0,0|0,0,0]=3 13816 B9R1.15 C=Cc1ccccc1N 271570a_100011290941_100000210017 [2,1,0,0,0,0|0,0,0]=3 13817 B9R1.15 C=Cc1ccccc1O 271570a_100011290941_100000739446 [2,1,0,0,0,0|0,0,0]=3 13818 B9R1.15 C=Cc1cccnc1Br 271570a_100011290941_100010202626 [2,1,0,0,0,0|1,0,0]=4 13819 B9R1.15 C=Cc1cccnc1C 271570a_100011290941_100000751574 [2,1,0,0,0,0|1,0,0]=4 13820 B9R1.15 C=Cc1cccnc1Cl 271570a_100011290941_100000036424 [2,1,0,0,0,0|1,0,0]=4 13821 B9R1.15 C=Cc1cccnc1F 271570a_100011290941_100009816115 [2,1,0,0,0,0|1,0,0]=4 13822 B9R1.15 C=Cc1cccnc1N 271570a_100011290941_100000045569 [2,1,0,0,0,0|1,0,0]=4 13823 B9R1.15 C=Cc1ccncc1Br 271570a_100011290941_100000726257 [2,1,0,0,0,0|1,0,0]=4 13824 B9R1.15 C=Cc1ccncc1C 271570a_100011290941_100015191297 [2,1,0,0,0,0|1,0,0]=4 13825 B9R1.15 C=Cc1ccncc1Cl 271570a_100011290941_100000708259 [2,1,0,0,0,0|1,0,0]=4 13826 B9R1.15 C=Cc1ccncc1F 271570a_100011290941_100000047030 [2,1,0,0,0,0|1,0,0]=4 13827 B9R1.15 C=Cc1ccncc1N 271570a_100011290941_100009815883 [2,1,0,0,0,0|1,0,0]=4 13828 B9R1.15 C=Cc1ccncc1O 271570a_100011290941_100009817591 [2,1,0,0,0,0|1,0,0]=4 13829 B9R1.15 C=Cc1cnccc1Br 271570a_100011290941_100010138639 [2,1,0,0,0,0|1,0,0]=4 13830 B9R1.15 C=Cc1cnccc1C 271570a_100011290941_100000761580 [2,1,0,0,0,0|1,0,0]=4 13831 B9R1.15 C=Cc1cnccc1Cl 271570a_100011290941_100009995489 [2,1,0,0,0,0|1,0,0]=4 13832 B9R1.15 C=Cc1cnccc1F 271570a_100011290941_100009820683 [2,1,0,0,0,0|1,0,0]=4 13833 B9R1.15 C=Cc1cnccc1N 271570a_100011290941_100000047001 [2,1,0,0,0,0|1,0,0]=4 13834 B9R1.15 C=Cc1ncccc1Br 271570a_100011290941_100000696092 [2,1,0,0,0,0|1,0,0]=4 13835 B9R1.15 C=Cc1ncccc1C 271570a_100011290941_100000751373 [2,1,0,0,0,0|1,0,0]=4 13836 B9R1.15 C=Cc1ncccc1Cl 271570a_100011290941_100011356963 [2,1,0,0,0,0|1,0,0]=4 13837 B9R1.15 C=Cc1ncccc1F 271570a_100011290941_100000685392 [2,1,0,0,0,0|1,0,0]=4 13838 B9R1.15 C=Cc1ncccc1N 271570a_100011290941_100000688686 [2,1,0,0,0,0|1,0,0]=4 13839 B9R1.15 C=Cc1ncccc1O 271570a_100011290941_100000034122 [2,1,0,0,0,0|1,0,0]=4 13840 B9R1.15 CCc1ccccc1O 271570a_203496583355_100011215823 [2,1,0,0,0,0|0,0,1]=4 13841 B9R1.15 CNc1ccccc1Br 34a_100000210017_200000210301 [2,1,0,0,0,0|1,0,0]=4 13842 B9R1.15 CNc1ccccc1C 34a_100015192222_200000210301 [2,1,0,0,0,0|1,0,0]=4 13843 B9R1.15 CNc1ccccc1Cl 34a_100000185783_200000210301 [2,1,0,0,0,0|1,0,0]=4 13844 B9R1.15 CNc1ccccc1F 34a_100000210422_200000210301 [2,1,0,0,0,0|1,0,0]=4 13845 B9R1.15 CNc1ccccc1I 34a_100000210053_200000210301 [2,1,0,0,0,0|1,0,0]=4 13846 B9R1.15 CNc1ccccc1O 271570a_203496583355_100020606079 [2,1,0,0,0,0|1,0,0]=4 13847 B9R1.15 CNc1ccccc1O 34a_100000185747_200000210301 [2,1,0,0,0,0|1,0,0]=4 13848 B9R1.15 COc1cccc[n+]1[O-] 7a_100000211761_200000210301 [2,1,0,0,0,0|1,0,0]=4 13849 B9R1.15 COc1ccccc1Br 34a_100000181306_200000210301 [2,1,0,0,0,0|0,0,0]=3 13850 B9R1.15 COc1ccccc1Br 7a_100000181306_200000210301 [2,1,0,0,0,0|0,0,0]=3 13851 B9R1.15 COc1ccccc1C 34a_100000210338_200000210301 [2,1,0,0,0,0|0,0,0]=3 13852 B9R1.15 COc1ccccc1C 7a_100000210338_200000210301 [2,1,0,0,0,0|0,0,0]=3 13853 B9R1.15 COc1ccccc1Cl 34a_100000210172_200000210301 [2,1,0,0,0,0|0,0,0]=3 13854 B9R1.15 COc1ccccc1Cl 7a_100000210172_200000210301 [2,1,0,0,0,0|0,0,0]=3 13855 B9R1.15 COc1ccccc1F 34a_100000210171_200000210301 [2,1,0,0,0,0|0,0,0]=3 13856 B9R1.15 COc1ccccc1F 7a_100000210171_200000210301 [2,1,0,0,0,0|0,0,0]=3 13857 B9R1.15 COc1ccccc1I 34a_100000739446_200000210301 [2,1,0,0,0,0|0,0,0]=3 13858 B9R1.15 COc1ccccc1I 7a_100000739446_200000210301 [2,1,0,0,0,0|0,0,0]=3 13859 B9R1.15 COc1ccccc1N 34a_100000185747_200000210301 [2,1,0,0,0,0|0,0,0]=3 13860 B9R1.15 COc1ccccc1N 7a_100000185747_200000210301 [2,1,0,0,0,0|0,0,0]=3 13861 B9R1.15 COc1ccccc1O 271570a_203496583355_100000174000 [2,1,0,0,0,0|0,0,0]=3 13862 B9R1.15 COc1cccnc1Br 34a_100000744436_200000210301 [2,1,0,0,0,0|1,0,0]=4 13863 B9R1.15 COc1cccnc1Br 7a_100000744436_200000210301 [2,1,0,0,0,0|1,0,0]=4 13864 B9R1.15 COc1cccnc1C 34a_100000745507_200000210301 [2,1,0,0,0,0|1,0,0]=4 13865 B9R1.15 COc1cccnc1C 7a_100000745507_200000210301 [2,1,0,0,0,0|1,0,0]=4 13866 B9R1.15 COc1cccnc1Cl 34a_100000757616_200000210301 [2,1,0,0,0,0|1,0,0]=4 13867 B9R1.15 COc1cccnc1Cl 7a_100000757616_200000210301 [2,1,0,0,0,0|1,0,0]=4 13868 B9R1.15 COc1cccnc1F 34a_100000061740_200000210301 [2,1,0,0,0,0|1,0,0]=4 13869 B9R1.15 COc1cccnc1F 7a_100000061740_200000210301 [2,1,0,0,0,0|1,0,0]=4 13870 B9R1.15 COc1cccnc1I 34a_100000034122_200000210301 [2,1,0,0,0,0|1,0,0]=4 13871 B9R1.15 COc1cccnc1I 7a_100000034122_200000210301 [2,1,0,0,0,0|1,0,0]=4 13872 B9R1.15 COc1cccnc1N 34a_100000211975_200000210301 [2,1,0,0,0,0|1,0,0]=4 13873 B9R1.15 COc1cccnc1N 7a_100000211975_200000210301 [2,1,0,0,0,0|1,0,0]=4 13874 B9R1.15 COc1cccnc1O 271570a_203496583355_100000690851 [2,1,0,0,0,0|1,0,0]=4 13875 B9R1.15 COc1cccoc1=O 34a_100000077404_200000210301 [2,1,0,0,0,0|1,0,0]=4 13876 B9R1.15 COc1cccoc1=O 7a_100000077404_200000210301 [2,1,0,0,0,0|1,0,0]=4 13877 B9R1.15 COc1ccncc1Br 34a_100011996408_200000210301 [2,1,0,0,0,0|1,0,0]=4 13878 B9R1.15 COc1ccncc1C 34a_100000694293_200000210301 [2,1,0,0,0,0|1,0,0]=4 13879 B9R1.15 COc1ccncc1Cl 34a_100011997054_200000210301 [2,1,0,0,0,0|1,0,0]=4 13880 B9R1.15 COc1ccncc1F 34a_200000081243_200000210301 [2,1,0,0,0,0|1,0,0]=4 13881 B9R1.15 COc1ccncc1O 271570a_203496583355_100011997281 [2,1,0,0,0,0|1,0,0]=4 13882 B9R1.15 COc1cnccc1C 34a_100011997053_200000210301 [2,1,0,0,0,0|1,0,0]=4 13883 B9R1.15 COc1cnccc1C 7a_100011997053_200000210301 [2,1,0,0,0,0|1,0,0]=4 13884 B9R1.15 COc1cnccc1Cl 34a_100011996695_200000210301 [2,1,0,0,0,0|1,0,0]=4 13885 B9R1.15 COc1cnccc1I 34a_100000050107_200000210301 [2,1,0,0,0,0|1,0,0]=4 13886 B9R1.15 COc1cnccc1N 34a_100000753702_200000210301 [2,1,0,0,0,0|1,0,0]=4 13887 B9R1.15 COc1cnccc1O 271570a_203496583355_100016988167 [2,1,0,0,0,0|1,0,0]=4 13888 B9R1.15 COc1coccc1=O 34a_100000060831_200000210301 [2,1,0,0,0,0|1,0,0]=4 13889 B9R1.15 COc1ncccc1Cl 34a_100011290957_200000210301 [2,1,0,0,0,0|1,0,0]=4 13890 B9R1.15 COc1ncccc1F 34a_100011219419_200000210301 [2,1,0,0,0,0|1,0,0]=4 13891 B9R1.15 COc1ncccc1N 34a_100000746358_200000210301 [2,1,0,0,0,0|1,0,0]=4 13892 B9R1.15 COc1ncccc1O 271570a_203496583355_100000047025 [2,1,0,0,0,0|1,0,0]=4 13893 B9R1.15 CSc1ccccc1Br 62a_100000695589_200000210301 [2,1,0,0,0,0|0,1,0]=4 13894 B9R1.15 CSc1ccccc1Br 62a_200000210301_100000695589 [2,1,0,0,0,0|0,1,0]=4 13895 B9R1.15 CSc1ccccc1C 62a_100000210755_200000210301 [2,1,0,0,0,0|0,1,0]=4 13896 B9R1.15 CSc1ccccc1C 62a_200000210301_100000210755 [2,1,0,0,0,0|0,1,0]=4 13897 B9R1.15 CSc1ccccc1Cl 62a_100000764095_200000210301 [2,1,0,0,0,0|0,1,0]=4 13898 B9R1.15 CSc1ccccc1Cl 62a_200000210301_100000764095 [2,1,0,0,0,0|0,1,0]=4 13899 B9R1.15 CSc1ccccc1F 62a_100011215700_200000210301 [2,1,0,0,0,0|0,1,0]=4 13900 B9R1.15 CSc1ccccc1F 62a_200000210301_100011215700 [2,1,0,0,0,0|0,1,0]=4 13901 B9R1.15 CSc1ccccc1N 62a_100000210017_200000210301 [2,1,0,0,0,0|0,1,0]=4 13902 B9R1.15 CSc1ccccc1N 62a_200000210301_100000210017 [2,1,0,0,0,0|0,1,0]=4 13903 B9R1.15 CSc1ccccc1O 271570a_203496583355_100011217816 [2,1,0,0,0,0|0,1,0]=4 13904 B9R1.15 CSc1ccccc1O 62a_100000739446_200000210301 [2,1,0,0,0,0|0,1,0]=4 13905 B9R1.15 CSc1ccccc1O 62a_200000210301_100000739446 [2,1,0,0,0,0|0,1,0]=4 13906 B9R1.15 Cc1ccccc1N[13CH3] 34a_100015192222_200025704644 [2,1,0,0,0,0|1,0,0]=4 13907 B9R1.15 Cc1ccccc1O[13CH3] 34a_100000210338_200025704644 [2,1,0,0,0,0|0,0,0]=3 13908 B9R1.15 Cc1ccccc1O[13CH3] 7a_100000210338_200025704644 [2,1,0,0,0,0|0,0,0]=3 13909 B9R1.15 Cc1ccccc1S[13CH3] 62a_100000210755_200025704644 [2,1,0,0,0,0|0,1,0]=4 13910 B9R1.15 Cc1ccccc1S[13CH3] 62a_200025704644_100000210755 [2,1,0,0,0,0|0,1,0]=4 13911 B9R1.15 Cc1ccncc1O[13CH3] 34a_100011997053_200025704644 [2,1,0,0,0,0|1,0,0]=4 13912 B9R1.15 Cc1ccncc1O[13CH3] 7a_100011997053_200025704644 [2,1,0,0,0,0|1,0,0]=4 13913 B9R1.15 Cc1cnccc1O[13CH3] 34a_100000694293_200025704644 [2,1,0,0,0,0|1,0,0]=4 13914 B9R1.15 Cc1ncccc1O[13CH3] 34a_100000745507_200025704644 [2,1,0,0,0,0|1,0,0]=4 13915 B9R1.15 Cc1ncccc1O[13CH3] 7a_100000745507_200025704644 [2,1,0,0,0,0|1,0,0]=4 13916 B9R1.15 NCc1ccccc1O 271570a_203496583355_100000689332 [2,1,0,0,0,0|1,0,0]=4 13917 B9R1.15 O=Cc1ccccc1O 271570a_203496583355_100000211189 [2,1,0,0,0,0|1,0,0]=4 13918 B9R1.15 OCc1ccccc1O 271570a_203496583355_100000187465 [2,1,0,0,0,0|1,0,0]=4 13919 B9R1.15 [13CH3]Nc1ccccc1Br 34a_100000210017_200025704644 [2,1,0,0,0,0|1,0,0]=4 13920 B9R1.15 [13CH3]Nc1ccccc1Cl 34a_100000185783_200025704644 [2,1,0,0,0,0|1,0,0]=4 13921 B9R1.15 [13CH3]Nc1ccccc1F 34a_100000210422_200025704644 [2,1,0,0,0,0|1,0,0]=4 13922 B9R1.15 [13CH3]Nc1ccccc1I 34a_100000210053_200025704644 [2,1,0,0,0,0|1,0,0]=4 13923 B9R1.15 [13CH3]Nc1ccccc1O 34a_100000185747_200025704644 [2,1,0,0,0,0|1,0,0]=4 13924 B9R1.15 [13CH3]Oc1cccc[n+]1[O-] 7a_100000211761_200025704644 [2,1,0,0,0,0|1,0,0]=4 13925 B9R1.15 [13CH3]Oc1ccccc1Br 34a_100000181306_200025704644 [2,1,0,0,0,0|0,0,0]=3 13926 B9R1.15 [13CH3]Oc1ccccc1Br 7a_100000181306_200025704644 [2,1,0,0,0,0|0,0,0]=3 13927 B9R1.15 [13CH3]Oc1ccccc1Cl 34a_100000210172_200025704644 [2,1,0,0,0,0|0,0,0]=3 13928 B9R1.15 [13CH3]Oc1ccccc1Cl 7a_100000210172_200025704644 [2,1,0,0,0,0|0,0,0]=3 13929 B9R1.15 [13CH3]Oc1ccccc1F 34a_100000210171_200025704644 [2,1,0,0,0,0|0,0,0]=3 13930 B9R1.15 [13CH3]Oc1ccccc1F 7a_100000210171_200025704644 [2,1,0,0,0,0|0,0,0]=3 13931 B9R1.15 [13CH3]Oc1ccccc1I 34a_100000739446_200025704644 [2,1,0,0,0,0|0,0,0]=3 13932 B9R1.15 [13CH3]Oc1ccccc1I 7a_100000739446_200025704644 [2,1,0,0,0,0|0,0,0]=3 13933 B9R1.15 [13CH3]Oc1ccccc1N 34a_100000185747_200025704644 [2,1,0,0,0,0|0,0,0]=3 13934 B9R1.15 [13CH3]Oc1ccccc1N 7a_100000185747_200025704644 [2,1,0,0,0,0|0,0,0]=3 13935 B9R1.15 [13CH3]Oc1cccnc1Br 34a_100000744436_200025704644 [2,1,0,0,0,0|1,0,0]=4 13936 B9R1.15 [13CH3]Oc1cccnc1Br 7a_100000744436_200025704644 [2,1,0,0,0,0|1,0,0]=4 13937 B9R1.15 [13CH3]Oc1cccnc1Cl 34a_100000757616_200025704644 [2,1,0,0,0,0|1,0,0]=4 13938 B9R1.15 [13CH3]Oc1cccnc1Cl 7a_100000757616_200025704644 [2,1,0,0,0,0|1,0,0]=4 13939 B9R1.15 [13CH3]Oc1cccnc1F 34a_100000061740_200025704644 [2,1,0,0,0,0|1,0,0]=4 13940 B9R1.15 [13CH3]Oc1cccnc1F 7a_100000061740_200025704644 [2,1,0,0,0,0|1,0,0]=4 13941 B9R1.15 [13CH3]Oc1cccnc1I 34a_100000034122_200025704644 [2,1,0,0,0,0|1,0,0]=4 13942 B9R1.15 [13CH3]Oc1cccnc1I 7a_100000034122_200025704644 [2,1,0,0,0,0|1,0,0]=4 13943 B9R1.15 [13CH3]Oc1cccnc1N 34a_100000211975_200025704644 [2,1,0,0,0,0|1,0,0]=4 13944 B9R1.15 [13CH3]Oc1cccnc1N 7a_100000211975_200025704644 [2,1,0,0,0,0|1,0,0]=4 13945 B9R1.15 [13CH3]Oc1cccoc1=O 34a_100000077404_200025704644 [2,1,0,0,0,0|1,0,0]=4 13946 B9R1.15 [13CH3]Oc1cccoc1=O 7a_100000077404_200025704644 [2,1,0,0,0,0|1,0,0]=4 13947 B9R1.15 [13CH3]Oc1ccncc1Br 34a_100011996408_200025704644 [2,1,0,0,0,0|1,0,0]=4 13948 B9R1.15 [13CH3]Oc1ccncc1Cl 34a_100011997054_200025704644 [2,1,0,0,0,0|1,0,0]=4 13949 B9R1.15 [13CH3]Oc1ccncc1F 34a_200000081243_200025704644 [2,1,0,0,0,0|1,0,0]=4 13950 B9R1.15 [13CH3]Oc1cnccc1Cl 34a_100011996695_200025704644 [2,1,0,0,0,0|1,0,0]=4 13951 B9R1.15 [13CH3]Oc1cnccc1I 34a_100000050107_200025704644 [2,1,0,0,0,0|1,0,0]=4 13952 B9R1.15 [13CH3]Oc1cnccc1N 34a_100000753702_200025704644 [2,1,0,0,0,0|1,0,0]=4 13953 B9R1.15 [13CH3]Oc1coccc1=O 34a_100000060831_200025704644 [2,1,0,0,0,0|1,0,0]=4 13954 B9R1.15 [13CH3]Oc1ncccc1Cl 34a_100011290957_200025704644 [2,1,0,0,0,0|1,0,0]=4 13955 B9R1.15 [13CH3]Oc1ncccc1F 34a_100011219419_200025704644 [2,1,0,0,0,0|1,0,0]=4 13956 B9R1.15 [13CH3]Oc1ncccc1N 34a_100000746358_200025704644 [2,1,0,0,0,0|1,0,0]=4 13957 B9R1.15 [13CH3]Sc1ccccc1Br 62a_100000695589_200025704644 [2,1,0,0,0,0|0,1,0]=4 13958 B9R1.15 [13CH3]Sc1ccccc1Br 62a_200025704644_100000695589 [2,1,0,0,0,0|0,1,0]=4 13959 B9R1.15 [13CH3]Sc1ccccc1Cl 62a_100000764095_200025704644 [2,1,0,0,0,0|0,1,0]=4 13960 B9R1.15 [13CH3]Sc1ccccc1Cl 62a_200025704644_100000764095 [2,1,0,0,0,0|0,1,0]=4 13961 B9R1.15 [13CH3]Sc1ccccc1F 62a_100011215700_200025704644 [2,1,0,0,0,0|0,1,0]=4 13962 B9R1.15 [13CH3]Sc1ccccc1F 62a_200025704644_100011215700 [2,1,0,0,0,0|0,1,0]=4 13963 B9R1.15 [13CH3]Sc1ccccc1N 62a_100000210017_200025704644 [2,1,0,0,0,0|0,1,0]=4 13964 B9R1.15 [13CH3]Sc1ccccc1N 62a_200025704644_100000210017 [2,1,0,0,0,0|0,1,0]=4 13965 B9R1.15 [13CH3]Sc1ccccc1O 62a_100000739446_200025704644 [2,1,0,0,0,0|0,1,0]=4 13966 B9R1.15 [13CH3]Sc1ccccc1O 62a_200025704644_100000739446 [2,1,0,0,0,0|0,1,0]=4 13967 B11R1.20 CC(=O)Cc1ccc(cc1)Br 1458a_100000070787_100000189115 [1,2,0,0,0,0|0,0,1]=4 13968 B11R1.20 CC(=O)Cc1ccc(cc1)Br 1458a_100000198978_200000210301 [1,2,0,0,0,0|0,0,1]=4 13969 B11R1.20 CC(=O)Cc1ccc(cc1)C 1458a_100000070787_100000210814 [1,2,0,0,0,0|0,0,1]=4 13970 B11R1.20 CC(=O)Cc1ccc(cc1)C 1458a_100000212244_200000210301 [1,2,0,0,0,0|0,0,1]=4 13971 B11R1.20 CC(=O)Cc1ccc(cc1)Cl 1458a_100000070787_100000694040 [1,2,0,0,0,0|0,0,1]=4 13972 B11R1.20 CC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_200000210301 [1,2,0,0,0,0|0,0,1]=4 13973 B11R1.20 CC(=O)Cc1ccc(cc1)F 1458a_100000070787_100000198546 [1,2,0,0,0,0|0,0,1]=4 13974 B11R1.20 CC(=O)Cc1ccc(cc1)F 1458a_100000210951_200000210301 [1,2,0,0,0,0|0,0,1]=4 13975 B11R1.20 CC(=O)Cc1ccc(cc1)I 1458a_100000070787_100000189116 [1,2,0,0,0,0|0,0,1]=4 13976 B11R1.20 CC(=O)Cc1ccc(cc1)I 1458a_100000688869_200000210301 [1,2,0,0,0,0|0,0,1]=4 13977 B11R1.20 CC(=O)Cc1ccc(cc1)O 1458a_100000198540_200000210301 [1,2,0,0,0,0|0,0,1]=4 13978 B11R1.20 CC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000691760 [1,2,0,0,0,0|0,0,1]=4 13979 B11R1.20 CC(=O)Oc1ccc(cc1)O 271570a_203496583355_100000002173 [1,2,0,0,0,0|0,0,1]=4 13980 B11R1.20 CC(=S)Oc1ccc(cc1)O 271570a_203496583355_200009816735 [1,2,0,0,0,0|0,0,1]=4 13981 B11R1.20 CC(C)Oc1ccc(cc1)Br 34a_100000185759_100000210206 [1,2,0,0,0,0|0,0,1]=4 13982 B11R1.20 CC(C)Oc1ccc(cc1)Br 7a_100000185759_100000210206 [1,2,0,0,0,0|0,0,1]=4 13983 B11R1.20 CC(C)Oc1ccc(cc1)Cl 34a_100000210216_100000210206 [1,2,0,0,0,0|0,0,1]=4 13984 B11R1.20 CC(C)Oc1ccc(cc1)Cl 7a_100000210216_100000210206 [1,2,0,0,0,0|0,0,1]=4 13985 B11R1.20 CC(C)Oc1ccc(cc1)F 34a_100000210339_100000210206 [1,2,0,0,0,0|0,0,1]=4 13986 B11R1.20 CC(C)Oc1ccc(cc1)I 34a_100000212066_100000210206 [1,2,0,0,0,0|0,0,1]=4 13987 B11R1.20 CC(C)Oc1ccc(cc1)I 7a_100000212066_100000210206 [1,2,0,0,0,0|0,0,1]=4 13988 B11R1.20 CC(C)Oc1ccc(cc1)N 34a_100000185829_100000210206 [1,2,0,0,0,0|0,0,1]=4 13989 B11R1.20 CC(C)Oc1ccc(cc1)O 271570a_203496583355_100000169947 [1,2,0,0,0,0|0,0,1]=4 13990 B11R1.20 Cc1ccc(cc1)CC(=O)[13CH3] 1458a_100000212244_200025704644 [1,2,0,0,0,0|0,0,1]=4 13991 B11R1.20 Cc1ccc(cc1)OC(C)C 34a_100000210336_100000210206 [1,2,0,0,0,0|0,0,1]=4 13992 B11R1.20 Cc1ccc(cc1)OC(C)C 7a_100000210336_100000210206 [1,2,0,0,0,0|0,0,1]=4 13993 B11R1.20 NC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000162331 [1,2,0,0,0,0|1,0,0]=4 13994 B11R1.20 Oc1ccc(cc1)OC(F)F 271570a_203496583355_100000179047 [1,2,0,0,0,0|1,0,0]=4 13995 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)Br 1458a_100000198978_200025704644 [1,2,0,0,0,0|0,0,1]=4 13996 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)Cl 1458a_100000211027_200025704644 [1,2,0,0,0,0|0,0,1]=4 13997 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)F 1458a_100000210951_200025704644 [1,2,0,0,0,0|0,0,1]=4 13998 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)I 1458a_100000688869_200025704644 [1,2,0,0,0,0|0,0,1]=4 13999 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)O 1458a_100000198540_200025704644 [1,2,0,0,0,0|0,0,1]=4 14000 B11R1.81 CCOc1ccc(cc1Br)Br 34a_100000188717_100000210202 [1,2,0,0,0,0|0,0,1]=4 14001 B11R1.81 CCOc1ccc(cc1Br)Br 7a_100000188717_100000210202 [1,2,0,0,0,0|0,0,1]=4 14002 B11R1.81 CCOc1ccc(cc1Br)C 34a_100000210800_100000210202 [1,2,0,0,0,0|0,0,1]=4 14003 B11R1.81 CCOc1ccc(cc1Br)C 7a_100000210800_100000210202 [1,2,0,0,0,0|0,0,1]=4 14004 B11R1.81 CCOc1ccc(cc1Br)Cl 34a_100000211998_100000210202 [1,2,0,0,0,0|0,0,1]=4 14005 B11R1.81 CCOc1ccc(cc1Br)Cl 7a_100000211998_100000210202 [1,2,0,0,0,0|0,0,1]=4 14006 B11R1.81 CCOc1ccc(cc1Br)F 34a_100000211999_100000210202 [1,2,0,0,0,0|0,0,1]=4 14007 B11R1.81 CCOc1ccc(cc1Br)F 7a_100000211999_100000210202 [1,2,0,0,0,0|0,0,1]=4 14008 B11R1.81 CCOc1ccc(cc1Br)I 34a_100012361655_100000210202 [1,2,0,0,0,0|0,0,1]=4 14009 B11R1.81 CCOc1ccc(cc1Br)I 7a_100012361655_100000210202 [1,2,0,0,0,0|0,0,1]=4 14010 B11R1.81 CCOc1ccc(cc1Br)N 34a_100011534360_100000210202 [1,2,0,0,0,0|0,0,1]=4 14011 B11R1.81 CCOc1ccc(cc1Br)N 7a_100011534360_100000210202 [1,2,0,0,0,0|0,0,1]=4 14012 B11R1.81 CCOc1ccc(cc1C)Br 34a_100000186361_100000210202 [1,2,0,0,0,0|0,0,1]=4 14013 B11R1.81 CCOc1ccc(cc1C)Br 7a_100000186361_100000210202 [1,2,0,0,0,0|0,0,1]=4 14014 B11R1.81 CCOc1ccc(cc1C)C 34a_100000211776_100000210202 [1,2,0,0,0,0|0,0,1]=4 14015 B11R1.81 CCOc1ccc(cc1C)C 7a_100000211776_100000210202 [1,2,0,0,0,0|0,0,1]=4 14016 B11R1.81 CCOc1ccc(cc1C)Cl 34a_100000211091_100000210202 [1,2,0,0,0,0|0,0,1]=4 14017 B11R1.81 CCOc1ccc(cc1C)Cl 7a_100000211091_100000210202 [1,2,0,0,0,0|0,0,1]=4 14018 B11R1.81 CCOc1ccc(cc1C)F 34a_100000764316_100000210202 [1,2,0,0,0,0|0,0,1]=4 14019 B11R1.81 CCOc1ccc(cc1C)F 7a_100000764316_100000210202 [1,2,0,0,0,0|0,0,1]=4 14020 B11R1.81 CCOc1ccc(cc1C)I 34a_100011218673_100000210202 [1,2,0,0,0,0|0,0,1]=4 14021 B11R1.81 CCOc1ccc(cc1C)I 7a_100011218673_100000210202 [1,2,0,0,0,0|0,0,1]=4 14022 B11R1.81 CCOc1ccc(cc1C)N 34a_100011218179_100000210202 [1,2,0,0,0,0|0,0,1]=4 14023 B11R1.81 CCOc1ccc(cc1C)N 7a_100011218179_100000210202 [1,2,0,0,0,0|0,0,1]=4 14024 B11R1.81 CCOc1ccc(cc1C)O 271570a_203496583355_100011308936 [1,2,0,0,0,0|0,0,1]=4 14025 B11R1.81 CCOc1ccc(cc1Cl)Br 34a_100000186472_100000210202 [1,2,0,0,0,0|0,0,1]=4 14026 B11R1.81 CCOc1ccc(cc1Cl)Br 7a_100000186472_100000210202 [1,2,0,0,0,0|0,0,1]=4 14027 B11R1.81 CCOc1ccc(cc1Cl)C 34a_100000749699_100000210202 [1,2,0,0,0,0|0,0,1]=4 14028 B11R1.81 CCOc1ccc(cc1Cl)C 7a_100000749699_100000210202 [1,2,0,0,0,0|0,0,1]=4 14029 B11R1.81 CCOc1ccc(cc1Cl)Cl 34a_100015191787_100000210202 [1,2,0,0,0,0|0,0,1]=4 14030 B11R1.81 CCOc1ccc(cc1Cl)Cl 7a_100015191787_100000210202 [1,2,0,0,0,0|0,0,1]=4 14031 B11R1.81 CCOc1ccc(cc1Cl)F 34a_100000212004_100000210202 [1,2,0,0,0,0|0,0,1]=4 14032 B11R1.81 CCOc1ccc(cc1Cl)F 7a_100000212004_100000210202 [1,2,0,0,0,0|0,0,1]=4 14033 B11R1.81 CCOc1ccc(cc1Cl)I 34a_100012360047_100000210202 [1,2,0,0,0,0|0,0,1]=4 14034 B11R1.81 CCOc1ccc(cc1Cl)I 7a_100012360047_100000210202 [1,2,0,0,0,0|0,0,1]=4 14035 B11R1.81 CCOc1ccc(cc1Cl)N 34a_100000744943_100000210202 [1,2,0,0,0,0|0,0,1]=4 14036 B11R1.81 CCOc1ccc(cc1Cl)N 7a_100000744943_100000210202 [1,2,0,0,0,0|0,0,1]=4 14037 B11R1.81 CCOc1ccc(cc1F)Br 34a_100000185481_100000210202 [1,2,0,0,0,0|0,0,1]=4 14038 B11R1.81 CCOc1ccc(cc1F)Br 7a_100000185481_100000210202 [1,2,0,0,0,0|0,0,1]=4 14039 B11R1.81 CCOc1ccc(cc1F)C 34a_100011216688_100000210202 [1,2,0,0,0,0|0,0,1]=4 14040 B11R1.81 CCOc1ccc(cc1F)C 7a_100011216688_100000210202 [1,2,0,0,0,0|0,0,1]=4 14041 B11R1.81 CCOc1ccc(cc1F)Cl 34a_100000230166_100000210202 [1,2,0,0,0,0|0,0,1]=4 14042 B11R1.81 CCOc1ccc(cc1F)Cl 7a_100000230166_100000210202 [1,2,0,0,0,0|0,0,1]=4 14043 B11R1.81 CCOc1ccc(cc1F)F 34a_100000230127_100000210202 [1,2,0,0,0,0|0,0,1]=4 14044 B11R1.81 CCOc1ccc(cc1F)F 7a_100000230127_100000210202 [1,2,0,0,0,0|0,0,1]=4 14045 B11R1.81 CCOc1ccc(cc1F)I 34a_100011356965_100000210202 [1,2,0,0,0,0|0,0,1]=4 14046 B11R1.81 CCOc1ccc(cc1F)I 7a_100011356965_100000210202 [1,2,0,0,0,0|0,0,1]=4 14047 B11R1.81 CCOc1ccc(cc1F)N 34a_100011220035_100000210202 [1,2,0,0,0,0|0,0,1]=4 14048 B11R1.81 CCOc1ccc(cc1F)N 7a_100011220035_100000210202 [1,2,0,0,0,0|0,0,1]=4 14049 B11R1.81 CCOc1ccc(cc1F)O 271570a_203496583355_200000171753 [1,2,0,0,0,0|0,0,1]=4 14050 B11R1.81 CCOc1ccc(cc1I)Br 34a_100012355227_100000210202 [1,2,0,0,0,0|0,0,1]=4 14051 B11R1.81 CCOc1ccc(cc1I)Br 7a_100012355227_100000210202 [1,2,0,0,0,0|0,0,1]=4 14052 B11R1.81 CCOc1ccc(cc1I)C 34a_100000765521_100000210202 [1,2,0,0,0,0|0,0,1]=4 14053 B11R1.81 CCOc1ccc(cc1I)C 7a_100000765521_100000210202 [1,2,0,0,0,0|0,0,1]=4 14054 B11R1.81 CCOc1ccc(cc1I)Cl 34a_100011356953_100000210202 [1,2,0,0,0,0|0,0,1]=4 14055 B11R1.81 CCOc1ccc(cc1I)Cl 7a_100011356953_100000210202 [1,2,0,0,0,0|0,0,1]=4 14056 B11R1.81 CCOc1ccc(cc1I)F 34a_100012355409_100000210202 [1,2,0,0,0,0|0,0,1]=4 14057 B11R1.81 CCOc1ccc(cc1I)F 7a_100012355409_100000210202 [1,2,0,0,0,0|0,0,1]=4 14058 B11R1.81 CCOc1ccc(cc1I)I 7a_100010001573_100000210202 [1,2,0,0,0,0|0,0,1]=4 14059 B11R1.81 CCOc1ccc(cc1N)Br 34a_100000752626_100000210202 [1,2,0,0,0,0|0,0,1]=4 14060 B11R1.81 CCOc1ccc(cc1N)Br 7a_100000752626_100000210202 [1,2,0,0,0,0|0,0,1]=4 14061 B11R1.81 CCOc1ccc(cc1N)C 34a_100011215204_100000210202 [1,2,0,0,0,0|0,0,1]=4 14062 B11R1.81 CCOc1ccc(cc1N)C 7a_100011215204_100000210202 [1,2,0,0,0,0|0,0,1]=4 14063 B11R1.81 CCOc1ccc(cc1N)Cl 34a_100000210500_100000210202 [1,2,0,0,0,0|0,0,1]=4 14064 B11R1.81 CCOc1ccc(cc1N)Cl 7a_100000210500_100000210202 [1,2,0,0,0,0|0,0,1]=4 14065 B11R1.81 CCOc1ccc(cc1N)F 34a_100000759472_100000210202 [1,2,0,0,0,0|0,0,1]=4 14066 B11R1.81 CCOc1ccc(cc1N)F 7a_100000759472_100000210202 [1,2,0,0,0,0|0,0,1]=4 14067 B11R1.81 CCOc1ccc(cc1N)I 34a_100000753495_100000210202 [1,2,0,0,0,0|0,0,1]=4 14068 B11R1.81 CCOc1ccc(cc1N)I 7a_100000753495_100000210202 [1,2,0,0,0,0|0,0,1]=4 14069 B11R1.81 CCOc1ccc(cc1N)N 34a_100000725306_100000210202 [1,2,0,0,0,0|0,0,1]=4 14070 B11R1.81 CCOc1ccc(cc1N)O 271570a_203496583355_100000751366 [1,2,0,0,0,0|0,0,1]=4 14071 B11R1.81 CCOc1ccc(cc1O)C 271570a_203496583355_200000230997 [1,2,0,0,0,0|0,0,1]=4 14072 B11R1.81 CCOc1ccc(cc1O)F 271570a_203496583355_100000171695 [1,2,0,0,0,0|0,0,1]=4 14073 B11R1.81 Cc1cc(ccc1OCF)Br 34a_100000186361_100015361967 [1,2,0,0,0,0|1,0,0]=4 14074 B11R1.81 Cc1cc(ccc1OCF)Br 7a_100000186361_100015361967 [1,2,0,0,0,0|1,0,0]=4 14075 B11R1.81 Cc1cc(ccc1OCF)Cl 34a_100000211091_100015361967 [1,2,0,0,0,0|1,0,0]=4 14076 B11R1.81 Cc1cc(ccc1OCF)Cl 7a_100000211091_100015361967 [1,2,0,0,0,0|1,0,0]=4 14077 B11R1.81 Cc1cc(ccc1OCF)F 34a_100000764316_100015361967 [1,2,0,0,0,0|1,0,0]=4 14078 B11R1.81 Cc1cc(ccc1OCF)F 7a_100000764316_100015361967 [1,2,0,0,0,0|1,0,0]=4 14079 B11R1.81 Cc1cc(ccc1OCF)I 34a_100011218673_100015361967 [1,2,0,0,0,0|1,0,0]=4 14080 B11R1.81 Cc1cc(ccc1OCF)I 7a_100011218673_100015361967 [1,2,0,0,0,0|1,0,0]=4 14081 B11R1.81 Cc1cc(ccc1OCF)N 34a_100011218179_100015361967 [1,2,0,0,0,0|1,0,0]=4 14082 B11R1.81 Cc1cc(ccc1OCF)N 7a_100011218179_100015361967 [1,2,0,0,0,0|1,0,0]=4 14083 B11R1.81 Cc1ccc(c(c1)Br)OCF 34a_100000210800_100015361967 [1,2,0,0,0,0|1,0,0]=4 14084 B11R1.81 Cc1ccc(c(c1)Br)OCF 7a_100000210800_100015361967 [1,2,0,0,0,0|1,0,0]=4 14085 B11R1.81 Cc1ccc(c(c1)C)OCF 34a_100000211776_100015361967 [1,2,0,0,0,0|1,0,0]=4 14086 B11R1.81 Cc1ccc(c(c1)C)OCF 7a_100000211776_100015361967 [1,2,0,0,0,0|1,0,0]=4 14087 B11R1.81 Cc1ccc(c(c1)Cl)OCF 34a_100000749699_100015361967 [1,2,0,0,0,0|1,0,0]=4 14088 B11R1.81 Cc1ccc(c(c1)Cl)OCF 7a_100000749699_100015361967 [1,2,0,0,0,0|1,0,0]=4 14089 B11R1.81 Cc1ccc(c(c1)F)OCF 34a_100011216688_100015361967 [1,2,0,0,0,0|1,0,0]=4 14090 B11R1.81 Cc1ccc(c(c1)F)OCF 7a_100011216688_100015361967 [1,2,0,0,0,0|1,0,0]=4 14091 B11R1.81 Cc1ccc(c(c1)I)OCF 34a_100000765521_100015361967 [1,2,0,0,0,0|1,0,0]=4 14092 B11R1.81 Cc1ccc(c(c1)I)OCF 7a_100000765521_100015361967 [1,2,0,0,0,0|1,0,0]=4 14093 B11R1.81 Cc1ccc(c(c1)N)OCF 34a_100011215204_100015361967 [1,2,0,0,0,0|1,0,0]=4 14094 B11R1.81 Cc1ccc(c(c1)N)OCF 7a_100011215204_100015361967 [1,2,0,0,0,0|1,0,0]=4 14095 B11R1.81 FCOc1ccc(cc1Br)Br 34a_100000188717_100015361967 [1,2,0,0,0,0|1,0,0]=4 14096 B11R1.81 FCOc1ccc(cc1Br)Br 7a_100000188717_100015361967 [1,2,0,0,0,0|1,0,0]=4 14097 B11R1.81 FCOc1ccc(cc1Br)Cl 34a_100000211998_100015361967 [1,2,0,0,0,0|1,0,0]=4 14098 B11R1.81 FCOc1ccc(cc1Br)Cl 7a_100000211998_100015361967 [1,2,0,0,0,0|1,0,0]=4 14099 B11R1.81 FCOc1ccc(cc1Br)F 34a_100000211999_100015361967 [1,2,0,0,0,0|1,0,0]=4 14100 B11R1.81 FCOc1ccc(cc1Br)F 7a_100000211999_100015361967 [1,2,0,0,0,0|1,0,0]=4 14101 B11R1.81 FCOc1ccc(cc1Br)I 34a_100012361655_100015361967 [1,2,0,0,0,0|1,0,0]=4 14102 B11R1.81 FCOc1ccc(cc1Br)I 7a_100012361655_100015361967 [1,2,0,0,0,0|1,0,0]=4 14103 B11R1.81 FCOc1ccc(cc1Cl)Br 34a_100000186472_100015361967 [1,2,0,0,0,0|1,0,0]=4 14104 B11R1.81 FCOc1ccc(cc1Cl)Br 7a_100000186472_100015361967 [1,2,0,0,0,0|1,0,0]=4 14105 B11R1.81 FCOc1ccc(cc1Cl)Cl 34a_100015191787_100015361967 [1,2,0,0,0,0|1,0,0]=4 14106 B11R1.81 FCOc1ccc(cc1Cl)Cl 7a_100015191787_100015361967 [1,2,0,0,0,0|1,0,0]=4 14107 B11R1.81 FCOc1ccc(cc1Cl)F 34a_100000212004_100015361967 [1,2,0,0,0,0|1,0,0]=4 14108 B11R1.81 FCOc1ccc(cc1Cl)F 7a_100000212004_100015361967 [1,2,0,0,0,0|1,0,0]=4 14109 B11R1.81 FCOc1ccc(cc1Cl)I 34a_100012360047_100015361967 [1,2,0,0,0,0|1,0,0]=4 14110 B11R1.81 FCOc1ccc(cc1Cl)I 7a_100012360047_100015361967 [1,2,0,0,0,0|1,0,0]=4 14111 B11R1.81 FCOc1ccc(cc1F)Br 34a_100000185481_100015361967 [1,2,0,0,0,0|1,0,0]=4 14112 B11R1.81 FCOc1ccc(cc1F)Br 7a_100000185481_100015361967 [1,2,0,0,0,0|1,0,0]=4 14113 B11R1.81 FCOc1ccc(cc1F)Cl 34a_100000230166_100015361967 [1,2,0,0,0,0|1,0,0]=4 14114 B11R1.81 FCOc1ccc(cc1F)Cl 7a_100000230166_100015361967 [1,2,0,0,0,0|1,0,0]=4 14115 B11R1.81 FCOc1ccc(cc1F)F 34a_100000230127_100015361967 [1,2,0,0,0,0|1,0,0]=4 14116 B11R1.81 FCOc1ccc(cc1F)F 7a_100000230127_100015361967 [1,2,0,0,0,0|1,0,0]=4 14117 B11R1.81 FCOc1ccc(cc1F)I 34a_100011356965_100015361967 [1,2,0,0,0,0|1,0,0]=4 14118 B11R1.81 FCOc1ccc(cc1F)I 7a_100011356965_100015361967 [1,2,0,0,0,0|1,0,0]=4 14119 B11R1.81 FCOc1ccc(cc1I)Br 34a_100012355227_100015361967 [1,2,0,0,0,0|1,0,0]=4 14120 B11R1.81 FCOc1ccc(cc1I)Br 7a_100012355227_100015361967 [1,2,0,0,0,0|1,0,0]=4 14121 B11R1.81 FCOc1ccc(cc1I)Cl 34a_100011356953_100015361967 [1,2,0,0,0,0|1,0,0]=4 14122 B11R1.81 FCOc1ccc(cc1I)Cl 7a_100011356953_100015361967 [1,2,0,0,0,0|1,0,0]=4 14123 B11R1.81 FCOc1ccc(cc1I)F 34a_100012355409_100015361967 [1,2,0,0,0,0|1,0,0]=4 14124 B11R1.81 FCOc1ccc(cc1I)F 7a_100012355409_100015361967 [1,2,0,0,0,0|1,0,0]=4 14125 B11R1.81 FCOc1ccc(cc1I)I 7a_100010001573_100015361967 [1,2,0,0,0,0|1,0,0]=4 14126 B11R1.81 Nc1cc(ccc1OCF)Br 34a_100000752626_100015361967 [1,2,0,0,0,0|1,0,0]=4 14127 B11R1.81 Nc1cc(ccc1OCF)Br 7a_100000752626_100015361967 [1,2,0,0,0,0|1,0,0]=4 14128 B11R1.81 Nc1cc(ccc1OCF)Cl 34a_100000210500_100015361967 [1,2,0,0,0,0|1,0,0]=4 14129 B11R1.81 Nc1cc(ccc1OCF)Cl 7a_100000210500_100015361967 [1,2,0,0,0,0|1,0,0]=4 14130 B11R1.81 Nc1cc(ccc1OCF)F 34a_100000759472_100015361967 [1,2,0,0,0,0|1,0,0]=4 14131 B11R1.81 Nc1cc(ccc1OCF)F 7a_100000759472_100015361967 [1,2,0,0,0,0|1,0,0]=4 14132 B11R1.81 Nc1cc(ccc1OCF)I 34a_100000753495_100015361967 [1,2,0,0,0,0|1,0,0]=4 14133 B11R1.81 Nc1cc(ccc1OCF)I 7a_100000753495_100015361967 [1,2,0,0,0,0|1,0,0]=4 14134 B11R1.81 Nc1ccc(c(c1)Br)OCF 34a_100011534360_100015361967 [1,2,0,0,0,0|1,0,0]=4 14135 B11R1.81 Nc1ccc(c(c1)Br)OCF 7a_100011534360_100015361967 [1,2,0,0,0,0|1,0,0]=4 14136 B11R1.81 Nc1ccc(c(c1)Cl)OCF 34a_100000744943_100015361967 [1,2,0,0,0,0|1,0,0]=4 14137 B11R1.81 Nc1ccc(c(c1)Cl)OCF 7a_100000744943_100015361967 [1,2,0,0,0,0|1,0,0]=4 14138 B11R1.81 Nc1ccc(c(c1)F)OCF 34a_100011220035_100015361967 [1,2,0,0,0,0|1,0,0]=4 14139 B11R1.81 Nc1ccc(c(c1)F)OCF 7a_100011220035_100015361967 [1,2,0,0,0,0|1,0,0]=4 14140 B11R1.81 Nc1ccc(c(c1)N)OCF 34a_100000725306_100015361967 [1,2,0,0,0,0|1,0,0]=4 14141 B11R1.83 C=CCc1ccc(cc1)OC 34a_100000078792_200000210301 [1,2,0,0,0,0|0,0,0]=3 14142 B11R1.83 C=CCc1ccc(cc1)OC 7a_100000078792_200000210301 [1,2,0,0,0,0|0,0,0]=3 14143 B11R1.83 C=CCc1ccc(cc1)O[13CH3] 34a_100000078792_200025704644 [1,2,0,0,0,0|0,0,0]=3 14144 B11R1.83 C=CCc1ccc(cc1)O[13CH3] 7a_100000078792_200025704644 [1,2,0,0,0,0|0,0,0]=3 14145 B11R1.83 C=COc1ccc(cc1)SC 62a_100000704263_200000210301 [1,2,0,0,0,0|0,0,0]=3 14146 B11R1.83 C=COc1ccc(cc1)SC 62a_200000210301_100000704263 [1,2,0,0,0,0|0,0,0]=3 14147 B11R1.83 C=COc1ccc(cc1)S[13CH3] 62a_100000704263_200025704644 [1,2,0,0,0,0|0,0,0]=3 14148 B11R1.83 C=COc1ccc(cc1)S[13CH3] 62a_200025704644_100000704263 [1,2,0,0,0,0|0,0,0]=3 14149 B11R1.83 C=Cc1ccc(cc1)CC=O 271570a_100011290941_100011361690 [1,2,0,0,0,0|1,0,0]=4 14150 B11R1.83 C=Cc1ccc(cc1)OCC 271570a_100011290941_100000169946 [1,2,0,0,0,0|0,0,1]=4 14151 B11R1.83 C=Cc1ccc(cc1)OCC 34a_100000189437_100000210202 [1,2,0,0,0,0|0,0,1]=4 14152 B11R1.83 C=Cc1ccc(cc1)OCC 7a_100000189437_100000210202 [1,2,0,0,0,0|0,0,1]=4 14153 B11R1.83 C=Cc1ccc(cc1)OCF 34a_100000189437_100015361967 [1,2,0,0,0,0|1,0,0]=4 14154 B11R1.83 C=Cc1ccc(cc1)OCF 7a_100000189437_100015361967 [1,2,0,0,0,0|1,0,0]=4 14155 B11R1.83 CCOc1ccc(cc1)C#N 34a_100000210344_100000210202 [1,2,0,0,0,0|0,0,1]=4 14156 B11R1.83 CCOc1ccc(cc1)C#N 7a_100000210344_100000210202 [1,2,0,0,0,0|0,0,1]=4 14157 B11R1.83 CCOc1ccc(cc1)CC 34a_100000211359_100000210202 [1,2,0,0,0,0|0,0,1]=4 14158 B11R1.83 CCOc1ccc(cc1)CC 7a_100000211359_100000210202 [1,2,0,0,0,0|0,0,1]=4 14159 B11R1.83 CCOc1ccc(cc1)CN 34a_100000185549_100000210202 [1,2,0,0,0,0|0,0,1]=4 14160 B11R1.83 CCOc1ccc(cc1)CO 34a_100000211755_100000210202 [1,2,0,0,0,0|0,0,1]=4 14161 B11R1.83 CCOc1ccc(cc1)NC 2230a_100000739623_200000210301 [1,2,0,0,0,0|0,0,1]=4 14162 B11R1.83 CCOc1ccc(cc1)NC 34a_100000182112_100000210202 [1,2,0,0,0,0|0,0,1]=4 14163 B11R1.83 CCOc1ccc(cc1)NC 34a_100000739623_200000210301 [1,2,0,0,0,0|0,0,1]=4 14164 B11R1.83 CCOc1ccc(cc1)N[13CH3] 2230a_100000739623_200025704644 [1,2,0,0,0,0|0,0,1]=4 14165 B11R1.83 CCOc1ccc(cc1)N[13CH3] 34a_100000739623_200025704644 [1,2,0,0,0,0|0,0,1]=4 14166 B11R1.83 CCOc1ccc(cc1)OC 34a_100000185467_200000210301 [1,2,0,0,0,0|0,0,1]=4 14167 B11R1.83 CCOc1ccc(cc1)OC 34a_100000210503_100000210202 [1,2,0,0,0,0|0,0,1]=4 14168 B11R1.83 CCOc1ccc(cc1)O[13CH3] 34a_100000185467_200025704644 [1,2,0,0,0,0|0,0,1]=4 14169 B11R1.83 CCOc1ccc(cc1)SC 34a_100000211864_100000210202 [1,2,0,0,0,0|0,0,1]=4 14170 B11R1.83 CCOc1ccc(cc1)SC 62a_200000210301_100000171712 [1,2,0,0,0,0|0,0,1]=4 14171 B11R1.83 CCOc1ccc(cc1)S[13CH3] 62a_200025704644_100000171712 [1,2,0,0,0,0|0,0,1]=4 14172 B11R1.83 CCc1ccc(cc1)OCF 34a_100000211359_100015361967 [1,2,0,0,0,0|1,0,0]=4 14173 B11R1.83 CCc1ccc(cc1)OCF 7a_100000211359_100015361967 [1,2,0,0,0,0|1,0,0]=4 14174 B11R1.83 CNc1ccc(cc1)OCF 34a_100000182112_100015361967 [1,2,0,0,0,0|1,0,0]=4 14175 B11R1.83 COc1ccc(cc1)OCF 34a_100000210503_100015361967 [1,2,0,0,0,0|1,0,0]=4 14176 B11R1.83 CSc1ccc(cc1)CC=O 62a_100011361690_200000210301 [1,2,0,0,0,0|1,0,0]=4 14177 B11R1.83 CSc1ccc(cc1)CC=O 62a_200000210301_100011361690 [1,2,0,0,0,0|1,0,0]=4 14178 B11R1.83 CSc1ccc(cc1)OCF 34a_100000211864_100015361967 [1,2,0,0,0,0|1,0,0]=4 14179 B11R1.83 N#Cc1ccc(cc1)OCF 34a_100000210344_100015361967 [1,2,0,0,0,0|1,0,0]=4 14180 B11R1.83 N#Cc1ccc(cc1)OCF 7a_100000210344_100015361967 [1,2,0,0,0,0|1,0,0]=4 14181 B11R1.83 NCc1ccc(cc1)OCF 34a_100000185549_100015361967 [1,2,0,0,0,0|1,0,0]=4 14182 B11R1.83 OCc1ccc(cc1)OCF 34a_100000211755_100015361967 [1,2,0,0,0,0|1,0,0]=4 14183 B11R1.83 [13CH3]Sc1ccc(cc1)CC=O 62a_100011361690_200025704644 [1,2,0,0,0,0|1,0,0]=4 14184 B11R1.83 [13CH3]Sc1ccc(cc1)CC=O 62a_200025704644_100011361690 [1,2,0,0,0,0|1,0,0]=4 14185 B11R1.192 CCOc1ccc(c(c1)Br)C 34a_100011380479_100000210202 [1,2,0,0,0,0|0,0,1]=4 14186 B11R1.192 CCOc1ccc(c(c1)Br)C 7a_100011380479_100000210202 [1,2,0,0,0,0|0,0,1]=4 14187 B11R1.192 CCOc1ccc(c(c1)Br)Cl 34a_100011933957_100000210202 [1,2,0,0,0,0|0,0,1]=4 14188 B11R1.192 CCOc1ccc(c(c1)Br)Cl 7a_100011933957_100000210202 [1,2,0,0,0,0|0,0,1]=4 14189 B11R1.192 CCOc1ccc(c(c1)Br)F 34a_100000693481_100000210202 [1,2,0,0,0,0|0,0,1]=4 14190 B11R1.192 CCOc1ccc(c(c1)Br)F 7a_100000693481_100000210202 [1,2,0,0,0,0|0,0,1]=4 14191 B11R1.192 CCOc1ccc(c(c1)Br)I 34a_100000701344_100000210202 [1,2,0,0,0,0|0,0,1]=4 14192 B11R1.192 CCOc1ccc(c(c1)Br)I 7a_100000701344_100000210202 [1,2,0,0,0,0|0,0,1]=4 14193 B11R1.192 CCOc1ccc(c(c1)Br)N 34a_100012001276_100000210202 [1,2,0,0,0,0|0,0,1]=4 14194 B11R1.192 CCOc1ccc(c(c1)Br)N 7a_100012001276_100000210202 [1,2,0,0,0,0|0,0,1]=4 14195 B11R1.192 CCOc1ccc(c(c1)C)Br 34a_100000690111_100000210202 [1,2,0,0,0,0|0,0,1]=4 14196 B11R1.192 CCOc1ccc(c(c1)C)Br 7a_100000690111_100000210202 [1,2,0,0,0,0|0,0,1]=4 14197 B11R1.192 CCOc1ccc(c(c1)C)C 34a_100000210932_100000210202 [1,2,0,0,0,0|0,0,1]=4 14198 B11R1.192 CCOc1ccc(c(c1)C)C 7a_100000210932_100000210202 [1,2,0,0,0,0|0,0,1]=4 14199 B11R1.192 CCOc1ccc(c(c1)C)Cl 34a_100000211092_100000210202 [1,2,0,0,0,0|0,0,1]=4 14200 B11R1.192 CCOc1ccc(c(c1)C)Cl 7a_100000211092_100000210202 [1,2,0,0,0,0|0,0,1]=4 14201 B11R1.192 CCOc1ccc(c(c1)C)F 34a_100000751312_100000210202 [1,2,0,0,0,0|0,0,1]=4 14202 B11R1.192 CCOc1ccc(c(c1)C)F 7a_100000751312_100000210202 [1,2,0,0,0,0|0,0,1]=4 14203 B11R1.192 CCOc1ccc(c(c1)C)I 34a_100000729255_100000210202 [1,2,0,0,0,0|0,0,1]=4 14204 B11R1.192 CCOc1ccc(c(c1)C)I 7a_100000729255_100000210202 [1,2,0,0,0,0|0,0,1]=4 14205 B11R1.192 CCOc1ccc(c(c1)C)N 34a_100000756630_100000210202 [1,2,0,0,0,0|0,0,1]=4 14206 B11R1.192 CCOc1ccc(c(c1)C)N 7a_100000756630_100000210202 [1,2,0,0,0,0|0,0,1]=4 14207 B11R1.192 CCOc1ccc(c(c1)C)O 271570a_203496583355_100012344538 [1,2,0,0,0,0|0,0,1]=4 14208 B11R1.192 CCOc1ccc(c(c1)Cl)Br 34a_100011215161_100000210202 [1,2,0,0,0,0|0,0,1]=4 14209 B11R1.192 CCOc1ccc(c(c1)Cl)Br 7a_100011215161_100000210202 [1,2,0,0,0,0|0,0,1]=4 14210 B11R1.192 CCOc1ccc(c(c1)Cl)C 34a_100011265682_100000210202 [1,2,0,0,0,0|0,0,1]=4 14211 B11R1.192 CCOc1ccc(c(c1)Cl)C 7a_100011265682_100000210202 [1,2,0,0,0,0|0,0,1]=4 14212 B11R1.192 CCOc1ccc(c(c1)Cl)Cl 34a_100000211054_100000210202 [1,2,0,0,0,0|0,0,1]=4 14213 B11R1.192 CCOc1ccc(c(c1)Cl)Cl 7a_100000211054_100000210202 [1,2,0,0,0,0|0,0,1]=4 14214 B11R1.192 CCOc1ccc(c(c1)Cl)F 34a_100000211030_100000210202 [1,2,0,0,0,0|0,0,1]=4 14215 B11R1.192 CCOc1ccc(c(c1)Cl)F 7a_100000211030_100000210202 [1,2,0,0,0,0|0,0,1]=4 14216 B11R1.192 CCOc1ccc(c(c1)Cl)I 34a_100000047559_100000210202 [1,2,0,0,0,0|0,0,1]=4 14217 B11R1.192 CCOc1ccc(c(c1)Cl)I 7a_100000047559_100000210202 [1,2,0,0,0,0|0,0,1]=4 14218 B11R1.192 CCOc1ccc(c(c1)Cl)N 34a_100011215599_100000210202 [1,2,0,0,0,0|0,0,1]=4 14219 B11R1.192 CCOc1ccc(c(c1)Cl)N 7a_100011215599_100000210202 [1,2,0,0,0,0|0,0,1]=4 14220 B11R1.192 CCOc1ccc(c(c1)F)Br 34a_100000755031_100000210202 [1,2,0,0,0,0|0,0,1]=4 14221 B11R1.192 CCOc1ccc(c(c1)F)Br 7a_100000755031_100000210202 [1,2,0,0,0,0|0,0,1]=4 14222 B11R1.192 CCOc1ccc(c(c1)F)C 34a_100000722560_100000210202 [1,2,0,0,0,0|0,0,1]=4 14223 B11R1.192 CCOc1ccc(c(c1)F)C 7a_100000722560_100000210202 [1,2,0,0,0,0|0,0,1]=4 14224 B11R1.192 CCOc1ccc(c(c1)F)Cl 34a_100000691581_100000210202 [1,2,0,0,0,0|0,0,1]=4 14225 B11R1.192 CCOc1ccc(c(c1)F)Cl 7a_100000691581_100000210202 [1,2,0,0,0,0|0,0,1]=4 14226 B11R1.192 CCOc1ccc(c(c1)F)F 34a_100000181275_100000210202 [1,2,0,0,0,0|0,0,1]=4 14227 B11R1.192 CCOc1ccc(c(c1)F)F 7a_100000181275_100000210202 [1,2,0,0,0,0|0,0,1]=4 14228 B11R1.192 CCOc1ccc(c(c1)F)I 34a_100009990212_100000210202 [1,2,0,0,0,0|0,0,1]=4 14229 B11R1.192 CCOc1ccc(c(c1)F)I 7a_100009990212_100000210202 [1,2,0,0,0,0|0,0,1]=4 14230 B11R1.192 CCOc1ccc(c(c1)F)N 34a_100000759473_100000210202 [1,2,0,0,0,0|0,0,1]=4 14231 B11R1.192 CCOc1ccc(c(c1)F)N 7a_100000759473_100000210202 [1,2,0,0,0,0|0,0,1]=4 14232 B11R1.192 CCOc1ccc(c(c1)F)O 271570a_203496583355_100000692347 [1,2,0,0,0,0|0,0,1]=4 14233 B11R1.192 CCOc1ccc(c(c1)I)Br 34a_100012339312_100000210202 [1,2,0,0,0,0|0,0,1]=4 14234 B11R1.192 CCOc1ccc(c(c1)I)Br 7a_100012339312_100000210202 [1,2,0,0,0,0|0,0,1]=4 14235 B11R1.192 CCOc1ccc(c(c1)I)Cl 34a_100000049588_100000210202 [1,2,0,0,0,0|0,0,1]=4 14236 B11R1.192 CCOc1ccc(c(c1)I)Cl 7a_100000049588_100000210202 [1,2,0,0,0,0|0,0,1]=4 14237 B11R1.192 CCOc1ccc(c(c1)I)N 34a_100010084370_100000210202 [1,2,0,0,0,0|0,0,1]=4 14238 B11R1.192 CCOc1ccc(c(c1)I)N 7a_100010084370_100000210202 [1,2,0,0,0,0|0,0,1]=4 14239 B11R1.192 CCOc1ccc(c(c1)N)Br 34a_100011999798_100000210202 [1,2,0,0,0,0|0,0,1]=4 14240 B11R1.192 CCOc1ccc(c(c1)N)Br 7a_100011999798_100000210202 [1,2,0,0,0,0|0,0,1]=4 14241 B11R1.192 CCOc1ccc(c(c1)N)C 34a_100011216113_100000210202 [1,2,0,0,0,0|0,0,1]=4 14242 B11R1.192 CCOc1ccc(c(c1)N)C 7a_100011216113_100000210202 [1,2,0,0,0,0|0,0,1]=4 14243 B11R1.192 CCOc1ccc(c(c1)N)Cl 34a_100011934297_100000210202 [1,2,0,0,0,0|0,0,1]=4 14244 B11R1.192 CCOc1ccc(c(c1)N)F 34a_100012017239_100000210202 [1,2,0,0,0,0|0,0,1]=4 14245 B11R1.192 CCOc1ccc(c(c1)N)F 7a_100012017239_100000210202 [1,2,0,0,0,0|0,0,1]=4 14246 B11R1.192 CCOc1ccc(c(c1)N)N 34a_100025771000_100000210202 [1,2,0,0,0,0|0,0,1]=4 14247 B11R1.192 CCOc1ccc(c(c1)O)C 271570a_203496583355_100011099959 [1,2,0,0,0,0|0,0,1]=4 14248 B11R1.192 Cc1cc(ccc1Br)OCF 34a_100000690111_100015361967 [1,2,0,0,0,0|1,0,0]=4 14249 B11R1.192 Cc1cc(ccc1Br)OCF 7a_100000690111_100015361967 [1,2,0,0,0,0|1,0,0]=4 14250 B11R1.192 Cc1cc(ccc1Cl)OCF 34a_100000211092_100015361967 [1,2,0,0,0,0|1,0,0]=4 14251 B11R1.192 Cc1cc(ccc1Cl)OCF 7a_100000211092_100015361967 [1,2,0,0,0,0|1,0,0]=4 14252 B11R1.192 Cc1cc(ccc1F)OCF 34a_100000751312_100015361967 [1,2,0,0,0,0|1,0,0]=4 14253 B11R1.192 Cc1cc(ccc1F)OCF 7a_100000751312_100015361967 [1,2,0,0,0,0|1,0,0]=4 14254 B11R1.192 Cc1cc(ccc1I)OCF 34a_100000729255_100015361967 [1,2,0,0,0,0|1,0,0]=4 14255 B11R1.192 Cc1cc(ccc1I)OCF 7a_100000729255_100015361967 [1,2,0,0,0,0|1,0,0]=4 14256 B11R1.192 Cc1cc(ccc1N)OCF 34a_100000756630_100015361967 [1,2,0,0,0,0|1,0,0]=4 14257 B11R1.192 Cc1cc(ccc1N)OCF 7a_100000756630_100015361967 [1,2,0,0,0,0|1,0,0]=4 14258 B11R1.192 Cc1ccc(cc1Br)OCF 34a_100011380479_100015361967 [1,2,0,0,0,0|1,0,0]=4 14259 B11R1.192 Cc1ccc(cc1Br)OCF 7a_100011380479_100015361967 [1,2,0,0,0,0|1,0,0]=4 14260 B11R1.192 Cc1ccc(cc1C)OCF 34a_100000210932_100015361967 [1,2,0,0,0,0|1,0,0]=4 14261 B11R1.192 Cc1ccc(cc1C)OCF 7a_100000210932_100015361967 [1,2,0,0,0,0|1,0,0]=4 14262 B11R1.192 Cc1ccc(cc1Cl)OCF 34a_100011265682_100015361967 [1,2,0,0,0,0|1,0,0]=4 14263 B11R1.192 Cc1ccc(cc1Cl)OCF 7a_100011265682_100015361967 [1,2,0,0,0,0|1,0,0]=4 14264 B11R1.192 Cc1ccc(cc1F)OCF 34a_100000722560_100015361967 [1,2,0,0,0,0|1,0,0]=4 14265 B11R1.192 Cc1ccc(cc1F)OCF 7a_100000722560_100015361967 [1,2,0,0,0,0|1,0,0]=4 14266 B11R1.192 Cc1ccc(cc1N)OCF 34a_100011216113_100015361967 [1,2,0,0,0,0|1,0,0]=4 14267 B11R1.192 Cc1ccc(cc1N)OCF 7a_100011216113_100015361967 [1,2,0,0,0,0|1,0,0]=4 14268 B11R1.192 FCOc1ccc(c(c1)Br)Cl 34a_100011933957_100015361967 [1,2,0,0,0,0|1,0,0]=4 14269 B11R1.192 FCOc1ccc(c(c1)Br)Cl 7a_100011933957_100015361967 [1,2,0,0,0,0|1,0,0]=4 14270 B11R1.192 FCOc1ccc(c(c1)Br)F 34a_100000693481_100015361967 [1,2,0,0,0,0|1,0,0]=4 14271 B11R1.192 FCOc1ccc(c(c1)Br)F 7a_100000693481_100015361967 [1,2,0,0,0,0|1,0,0]=4 14272 B11R1.192 FCOc1ccc(c(c1)Br)I 34a_100000701344_100015361967 [1,2,0,0,0,0|1,0,0]=4 14273 B11R1.192 FCOc1ccc(c(c1)Br)I 7a_100000701344_100015361967 [1,2,0,0,0,0|1,0,0]=4 14274 B11R1.192 FCOc1ccc(c(c1)Cl)Br 34a_100011215161_100015361967 [1,2,0,0,0,0|1,0,0]=4 14275 B11R1.192 FCOc1ccc(c(c1)Cl)Br 7a_100011215161_100015361967 [1,2,0,0,0,0|1,0,0]=4 14276 B11R1.192 FCOc1ccc(c(c1)Cl)Cl 34a_100000211054_100015361967 [1,2,0,0,0,0|1,0,0]=4 14277 B11R1.192 FCOc1ccc(c(c1)Cl)Cl 7a_100000211054_100015361967 [1,2,0,0,0,0|1,0,0]=4 14278 B11R1.192 FCOc1ccc(c(c1)Cl)F 34a_100000211030_100015361967 [1,2,0,0,0,0|1,0,0]=4 14279 B11R1.192 FCOc1ccc(c(c1)Cl)F 7a_100000211030_100015361967 [1,2,0,0,0,0|1,0,0]=4 14280 B11R1.192 FCOc1ccc(c(c1)Cl)I 34a_100000047559_100015361967 [1,2,0,0,0,0|1,0,0]=4 14281 B11R1.192 FCOc1ccc(c(c1)Cl)I 7a_100000047559_100015361967 [1,2,0,0,0,0|1,0,0]=4 14282 B11R1.192 FCOc1ccc(c(c1)F)Br 34a_100000755031_100015361967 [1,2,0,0,0,0|1,0,0]=4 14283 B11R1.192 FCOc1ccc(c(c1)F)Br 7a_100000755031_100015361967 [1,2,0,0,0,0|1,0,0]=4 14284 B11R1.192 FCOc1ccc(c(c1)F)Cl 34a_100000691581_100015361967 [1,2,0,0,0,0|1,0,0]=4 14285 B11R1.192 FCOc1ccc(c(c1)F)Cl 7a_100000691581_100015361967 [1,2,0,0,0,0|1,0,0]=4 14286 B11R1.192 FCOc1ccc(c(c1)F)F 34a_100000181275_100015361967 [1,2,0,0,0,0|1,0,0]=4 14287 B11R1.192 FCOc1ccc(c(c1)F)F 7a_100000181275_100015361967 [1,2,0,0,0,0|1,0,0]=4 14288 B11R1.192 FCOc1ccc(c(c1)F)I 34a_100009990212_100015361967 [1,2,0,0,0,0|1,0,0]=4 14289 B11R1.192 FCOc1ccc(c(c1)F)I 7a_100009990212_100015361967 [1,2,0,0,0,0|1,0,0]=4 14290 B11R1.192 FCOc1ccc(c(c1)I)Br 34a_100012339312_100015361967 [1,2,0,0,0,0|1,0,0]=4 14291 B11R1.192 FCOc1ccc(c(c1)I)Br 7a_100012339312_100015361967 [1,2,0,0,0,0|1,0,0]=4 14292 B11R1.192 FCOc1ccc(c(c1)I)Cl 34a_100000049588_100015361967 [1,2,0,0,0,0|1,0,0]=4 14293 B11R1.192 FCOc1ccc(c(c1)I)Cl 7a_100000049588_100015361967 [1,2,0,0,0,0|1,0,0]=4 14294 B11R1.192 Nc1cc(ccc1Br)OCF 34a_100011999798_100015361967 [1,2,0,0,0,0|1,0,0]=4 14295 B11R1.192 Nc1cc(ccc1Br)OCF 7a_100011999798_100015361967 [1,2,0,0,0,0|1,0,0]=4 14296 B11R1.192 Nc1cc(ccc1Cl)OCF 34a_100011934297_100015361967 [1,2,0,0,0,0|1,0,0]=4 14297 B11R1.192 Nc1cc(ccc1F)OCF 34a_100012017239_100015361967 [1,2,0,0,0,0|1,0,0]=4 14298 B11R1.192 Nc1cc(ccc1F)OCF 7a_100012017239_100015361967 [1,2,0,0,0,0|1,0,0]=4 14299 B11R1.192 Nc1ccc(cc1Br)OCF 34a_100012001276_100015361967 [1,2,0,0,0,0|1,0,0]=4 14300 B11R1.192 Nc1ccc(cc1Br)OCF 7a_100012001276_100015361967 [1,2,0,0,0,0|1,0,0]=4 14301 B11R1.192 Nc1ccc(cc1Cl)OCF 34a_100011215599_100015361967 [1,2,0,0,0,0|1,0,0]=4 14302 B11R1.192 Nc1ccc(cc1Cl)OCF 7a_100011215599_100015361967 [1,2,0,0,0,0|1,0,0]=4 14303 B11R1.192 Nc1ccc(cc1F)OCF 34a_100000759473_100015361967 [1,2,0,0,0,0|1,0,0]=4 14304 B11R1.192 Nc1ccc(cc1F)OCF 7a_100000759473_100015361967 [1,2,0,0,0,0|1,0,0]=4 14305 B11R1.192 Nc1ccc(cc1I)OCF 34a_100010084370_100015361967 [1,2,0,0,0,0|1,0,0]=4 14306 B11R1.192 Nc1ccc(cc1I)OCF 7a_100010084370_100015361967 [1,2,0,0,0,0|1,0,0]=4 14307 B11R1.192 Nc1ccc(cc1N)OCF 34a_100025771000_100015361967 [1,2,0,0,0,0|1,0,0]=4 14308 B11R1.13 CCOc1cccc(c1Br)Br 34a_100010187966_100000210202 [1,2,0,0,0,0|0,0,1]=4 14309 B11R1.13 CCOc1cccc(c1Br)Br 7a_100010187966_100000210202 [1,2,0,0,0,0|0,0,1]=4 14310 B11R1.13 CCOc1cccc(c1Br)C 34a_100000686692_100000210202 [1,2,0,0,0,0|0,0,1]=4 14311 B11R1.13 CCOc1cccc(c1Br)C 7a_100000686692_100000210202 [1,2,0,0,0,0|0,0,1]=4 14312 B11R1.13 CCOc1cccc(c1Br)Cl 34a_100012348804_100000210202 [1,2,0,0,0,0|0,0,1]=4 14313 B11R1.13 CCOc1cccc(c1Br)Cl 7a_100012348804_100000210202 [1,2,0,0,0,0|0,0,1]=4 14314 B11R1.13 CCOc1cccc(c1Br)F 34a_100009820682_100000210202 [1,2,0,0,0,0|0,0,1]=4 14315 B11R1.13 CCOc1cccc(c1Br)F 7a_100009820682_100000210202 [1,2,0,0,0,0|0,0,1]=4 14316 B11R1.13 CCOc1cccc(c1Br)I 34a_100010187914_100000210202 [1,2,0,0,0,0|0,0,1]=4 14317 B11R1.13 CCOc1cccc(c1Br)I 7a_100010187914_100000210202 [1,2,0,0,0,0|0,0,1]=4 14318 B11R1.13 CCOc1cccc(c1Br)N 34a_100012183704_100000210202 [1,2,0,0,0,0|0,0,1]=4 14319 B11R1.13 CCOc1cccc(c1Br)N 7a_100012183704_100000210202 [1,2,0,0,0,0|0,0,1]=4 14320 B11R1.13 CCOc1cccc(c1C)Br 34a_100012002258_100000210202 [1,2,0,0,0,0|0,0,1]=4 14321 B11R1.13 CCOc1cccc(c1C)Br 7a_100012002258_100000210202 [1,2,0,0,0,0|0,0,1]=4 14322 B11R1.13 CCOc1cccc(c1C)C 34a_100000185855_100000210202 [1,2,0,0,0,0|0,0,1]=4 14323 B11R1.13 CCOc1cccc(c1C)C 7a_100000185855_100000210202 [1,2,0,0,0,0|0,0,1]=4 14324 B11R1.13 CCOc1cccc(c1C)Cl 34a_100011265684_100000210202 [1,2,0,0,0,0|0,0,1]=4 14325 B11R1.13 CCOc1cccc(c1C)Cl 7a_100011265684_100000210202 [1,2,0,0,0,0|0,0,1]=4 14326 B11R1.13 CCOc1cccc(c1C)F 34a_100011217231_100000210202 [1,2,0,0,0,0|0,0,1]=4 14327 B11R1.13 CCOc1cccc(c1C)F 7a_100011217231_100000210202 [1,2,0,0,0,0|0,0,1]=4 14328 B11R1.13 CCOc1cccc(c1C)N 34a_100011216573_100000210202 [1,2,0,0,0,0|0,0,1]=4 14329 B11R1.13 CCOc1cccc(c1C)N 7a_100011216573_100000210202 [1,2,0,0,0,0|0,0,1]=4 14330 B11R1.13 CCOc1cccc(c1Cl)Br 34a_100010187913_100000210202 [1,2,0,0,0,0|0,0,1]=4 14331 B11R1.13 CCOc1cccc(c1Cl)Br 7a_100010187913_100000210202 [1,2,0,0,0,0|0,0,1]=4 14332 B11R1.13 CCOc1cccc(c1Cl)C 34a_100000695629_100000210202 [1,2,0,0,0,0|0,0,1]=4 14333 B11R1.13 CCOc1cccc(c1Cl)C 7a_100000695629_100000210202 [1,2,0,0,0,0|0,0,1]=4 14334 B11R1.13 CCOc1cccc(c1Cl)Cl 34a_100000211076_100000210202 [1,2,0,0,0,0|0,0,1]=4 14335 B11R1.13 CCOc1cccc(c1Cl)Cl 7a_100000211076_100000210202 [1,2,0,0,0,0|0,0,1]=4 14336 B11R1.13 CCOc1cccc(c1Cl)F 34a_100000087408_100000210202 [1,2,0,0,0,0|0,0,1]=4 14337 B11R1.13 CCOc1cccc(c1Cl)F 7a_100000087408_100000210202 [1,2,0,0,0,0|0,0,1]=4 14338 B11R1.13 CCOc1cccc(c1Cl)I 34a_100000049636_100000210202 [1,2,0,0,0,0|0,0,1]=4 14339 B11R1.13 CCOc1cccc(c1Cl)I 7a_100000049636_100000210202 [1,2,0,0,0,0|0,0,1]=4 14340 B11R1.13 CCOc1cccc(c1Cl)N 34a_100012002038_100000210202 [1,2,0,0,0,0|0,0,1]=4 14341 B11R1.13 CCOc1cccc(c1Cl)N 7a_100012002038_100000210202 [1,2,0,0,0,0|0,0,1]=4 14342 B11R1.13 CCOc1cccc(c1F)Br 34a_100009817021_100000210202 [1,2,0,0,0,0|0,0,1]=4 14343 B11R1.13 CCOc1cccc(c1F)Br 7a_100009817021_100000210202 [1,2,0,0,0,0|0,0,1]=4 14344 B11R1.13 CCOc1cccc(c1F)C 34a_100000751311_100000210202 [1,2,0,0,0,0|0,0,1]=4 14345 B11R1.13 CCOc1cccc(c1F)C 7a_100000751311_100000210202 [1,2,0,0,0,0|0,0,1]=4 14346 B11R1.13 CCOc1cccc(c1F)Cl 34a_100000687438_100000210202 [1,2,0,0,0,0|0,0,1]=4 14347 B11R1.13 CCOc1cccc(c1F)Cl 7a_100000687438_100000210202 [1,2,0,0,0,0|0,0,1]=4 14348 B11R1.13 CCOc1cccc(c1F)F 34a_100000751161_100000210202 [1,2,0,0,0,0|0,0,1]=4 14349 B11R1.13 CCOc1cccc(c1F)F 7a_100000751161_100000210202 [1,2,0,0,0,0|0,0,1]=4 14350 B11R1.13 CCOc1cccc(c1I)Br 34a_100010187912_100000210202 [1,2,0,0,0,0|0,0,1]=4 14351 B11R1.13 CCOc1cccc(c1I)Br 7a_100010187912_100000210202 [1,2,0,0,0,0|0,0,1]=4 14352 B11R1.13 CCOc1cccc(c1I)C 34a_100010083724_100000210202 [1,2,0,0,0,0|0,0,1]=4 14353 B11R1.13 CCOc1cccc(c1I)C 7a_100010083724_100000210202 [1,2,0,0,0,0|0,0,1]=4 14354 B11R1.13 CCOc1cccc(c1I)Cl 34a_100000050174_100000210202 [1,2,0,0,0,0|0,0,1]=4 14355 B11R1.13 CCOc1cccc(c1I)Cl 7a_100000050174_100000210202 [1,2,0,0,0,0|0,0,1]=4 14356 B11R1.13 CCOc1cccc(c1I)F 34a_100000690913_100000210202 [1,2,0,0,0,0|0,0,1]=4 14357 B11R1.13 CCOc1cccc(c1I)F 7a_100000690913_100000210202 [1,2,0,0,0,0|0,0,1]=4 14358 B11R1.13 CCOc1cccc(c1N)Br 34a_100011934926_100000210202 [1,2,0,0,0,0|0,0,1]=4 14359 B11R1.13 CCOc1cccc(c1N)Br 7a_100011934926_100000210202 [1,2,0,0,0,0|0,0,1]=4 14360 B11R1.13 CCOc1cccc(c1N)C 34a_100000743429_100000210202 [1,2,0,0,0,0|0,0,1]=4 14361 B11R1.13 CCOc1cccc(c1N)C 7a_100000743429_100000210202 [1,2,0,0,0,0|0,0,1]=4 14362 B11R1.13 CCOc1cccc(c1N)Cl 34a_100012022510_100000210202 [1,2,0,0,0,0|0,0,1]=4 14363 B11R1.13 CCOc1cccc(c1N)Cl 7a_100012022510_100000210202 [1,2,0,0,0,0|0,0,1]=4 14364 B11R1.13 CCOc1cccc(c1N)F 34a_100020591140_100000210202 [1,2,0,0,0,0|0,0,1]=4 14365 B11R1.13 CCOc1cccc(c1N)F 7a_100020591140_100000210202 [1,2,0,0,0,0|0,0,1]=4 14366 B11R1.13 CCOc1cccc(c1N)I 34a_200000049512_100000210202 [1,2,0,0,0,0|0,0,1]=4 14367 B11R1.13 CCOc1cccc(c1N)I 7a_200000049512_100000210202 [1,2,0,0,0,0|0,0,1]=4 14368 B11R1.13 CCOc1cccc(c1N)N 34a_100000033209_100000210202 [1,2,0,0,0,0|0,0,1]=4 14369 B11R1.13 CCOc1cccc(c1N)O 271570a_203496583355_200103155331 [1,2,0,0,0,0|0,0,1]=4 14370 B11R1.13 Cc1c(cccc1OCF)Br 34a_100012002258_100015361967 [1,2,0,0,0,0|1,0,0]=4 14371 B11R1.13 Cc1c(cccc1OCF)Br 7a_100012002258_100015361967 [1,2,0,0,0,0|1,0,0]=4 14372 B11R1.13 Cc1c(cccc1OCF)Cl 34a_100011265684_100015361967 [1,2,0,0,0,0|1,0,0]=4 14373 B11R1.13 Cc1c(cccc1OCF)Cl 7a_100011265684_100015361967 [1,2,0,0,0,0|1,0,0]=4 14374 B11R1.13 Cc1c(cccc1OCF)F 34a_100011217231_100015361967 [1,2,0,0,0,0|1,0,0]=4 14375 B11R1.13 Cc1c(cccc1OCF)F 7a_100011217231_100015361967 [1,2,0,0,0,0|1,0,0]=4 14376 B11R1.13 Cc1c(cccc1OCF)N 34a_100011216573_100015361967 [1,2,0,0,0,0|1,0,0]=4 14377 B11R1.13 Cc1c(cccc1OCF)N 7a_100011216573_100015361967 [1,2,0,0,0,0|1,0,0]=4 14378 B11R1.13 Cc1cccc(c1Br)OCF 34a_100000686692_100015361967 [1,2,0,0,0,0|1,0,0]=4 14379 B11R1.13 Cc1cccc(c1Br)OCF 7a_100000686692_100015361967 [1,2,0,0,0,0|1,0,0]=4 14380 B11R1.13 Cc1cccc(c1C)OCF 34a_100000185855_100015361967 [1,2,0,0,0,0|1,0,0]=4 14381 B11R1.13 Cc1cccc(c1C)OCF 7a_100000185855_100015361967 [1,2,0,0,0,0|1,0,0]=4 14382 B11R1.13 Cc1cccc(c1Cl)OCF 34a_100000695629_100015361967 [1,2,0,0,0,0|1,0,0]=4 14383 B11R1.13 Cc1cccc(c1Cl)OCF 7a_100000695629_100015361967 [1,2,0,0,0,0|1,0,0]=4 14384 B11R1.13 Cc1cccc(c1F)OCF 34a_100000751311_100015361967 [1,2,0,0,0,0|1,0,0]=4 14385 B11R1.13 Cc1cccc(c1F)OCF 7a_100000751311_100015361967 [1,2,0,0,0,0|1,0,0]=4 14386 B11R1.13 Cc1cccc(c1I)OCF 34a_100010083724_100015361967 [1,2,0,0,0,0|1,0,0]=4 14387 B11R1.13 Cc1cccc(c1I)OCF 7a_100010083724_100015361967 [1,2,0,0,0,0|1,0,0]=4 14388 B11R1.13 Cc1cccc(c1N)OCF 34a_100000743429_100015361967 [1,2,0,0,0,0|1,0,0]=4 14389 B11R1.13 Cc1cccc(c1N)OCF 7a_100000743429_100015361967 [1,2,0,0,0,0|1,0,0]=4 14390 B11R1.13 FCOc1cccc(c1Br)Br 34a_100010187966_100015361967 [1,2,0,0,0,0|1,0,0]=4 14391 B11R1.13 FCOc1cccc(c1Br)Br 7a_100010187966_100015361967 [1,2,0,0,0,0|1,0,0]=4 14392 B11R1.13 FCOc1cccc(c1Br)Cl 34a_100012348804_100015361967 [1,2,0,0,0,0|1,0,0]=4 14393 B11R1.13 FCOc1cccc(c1Br)Cl 7a_100012348804_100015361967 [1,2,0,0,0,0|1,0,0]=4 14394 B11R1.13 FCOc1cccc(c1Br)F 34a_100009820682_100015361967 [1,2,0,0,0,0|1,0,0]=4 14395 B11R1.13 FCOc1cccc(c1Br)F 7a_100009820682_100015361967 [1,2,0,0,0,0|1,0,0]=4 14396 B11R1.13 FCOc1cccc(c1Br)I 34a_100010187914_100015361967 [1,2,0,0,0,0|1,0,0]=4 14397 B11R1.13 FCOc1cccc(c1Br)I 7a_100010187914_100015361967 [1,2,0,0,0,0|1,0,0]=4 14398 B11R1.13 FCOc1cccc(c1Cl)Br 34a_100010187913_100015361967 [1,2,0,0,0,0|1,0,0]=4 14399 B11R1.13 FCOc1cccc(c1Cl)Br 7a_100010187913_100015361967 [1,2,0,0,0,0|1,0,0]=4 14400 B11R1.13 FCOc1cccc(c1Cl)Cl 34a_100000211076_100015361967 [1,2,0,0,0,0|1,0,0]=4 14401 B11R1.13 FCOc1cccc(c1Cl)Cl 7a_100000211076_100015361967 [1,2,0,0,0,0|1,0,0]=4 14402 B11R1.13 FCOc1cccc(c1Cl)F 34a_100000087408_100015361967 [1,2,0,0,0,0|1,0,0]=4 14403 B11R1.13 FCOc1cccc(c1Cl)F 7a_100000087408_100015361967 [1,2,0,0,0,0|1,0,0]=4 14404 B11R1.13 FCOc1cccc(c1Cl)I 34a_100000049636_100015361967 [1,2,0,0,0,0|1,0,0]=4 14405 B11R1.13 FCOc1cccc(c1Cl)I 7a_100000049636_100015361967 [1,2,0,0,0,0|1,0,0]=4 14406 B11R1.13 FCOc1cccc(c1F)Br 34a_100009817021_100015361967 [1,2,0,0,0,0|1,0,0]=4 14407 B11R1.13 FCOc1cccc(c1F)Br 7a_100009817021_100015361967 [1,2,0,0,0,0|1,0,0]=4 14408 B11R1.13 FCOc1cccc(c1F)Cl 34a_100000687438_100015361967 [1,2,0,0,0,0|1,0,0]=4 14409 B11R1.13 FCOc1cccc(c1F)Cl 7a_100000687438_100015361967 [1,2,0,0,0,0|1,0,0]=4 14410 B11R1.13 FCOc1cccc(c1F)F 34a_100000751161_100015361967 [1,2,0,0,0,0|1,0,0]=4 14411 B11R1.13 FCOc1cccc(c1F)F 7a_100000751161_100015361967 [1,2,0,0,0,0|1,0,0]=4 14412 B11R1.13 FCOc1cccc(c1I)Br 34a_100010187912_100015361967 [1,2,0,0,0,0|1,0,0]=4 14413 B11R1.13 FCOc1cccc(c1I)Br 7a_100010187912_100015361967 [1,2,0,0,0,0|1,0,0]=4 14414 B11R1.13 FCOc1cccc(c1I)Cl 34a_100000050174_100015361967 [1,2,0,0,0,0|1,0,0]=4 14415 B11R1.13 FCOc1cccc(c1I)Cl 7a_100000050174_100015361967 [1,2,0,0,0,0|1,0,0]=4 14416 B11R1.13 FCOc1cccc(c1I)F 34a_100000690913_100015361967 [1,2,0,0,0,0|1,0,0]=4 14417 B11R1.13 FCOc1cccc(c1I)F 7a_100000690913_100015361967 [1,2,0,0,0,0|1,0,0]=4 14418 B11R1.13 Nc1c(cccc1OCF)Br 34a_100011934926_100015361967 [1,2,0,0,0,0|1,0,0]=4 14419 B11R1.13 Nc1c(cccc1OCF)Br 7a_100011934926_100015361967 [1,2,0,0,0,0|1,0,0]=4 14420 B11R1.13 Nc1c(cccc1OCF)Cl 34a_100012022510_100015361967 [1,2,0,0,0,0|1,0,0]=4 14421 B11R1.13 Nc1c(cccc1OCF)Cl 7a_100012022510_100015361967 [1,2,0,0,0,0|1,0,0]=4 14422 B11R1.13 Nc1c(cccc1OCF)F 34a_100020591140_100015361967 [1,2,0,0,0,0|1,0,0]=4 14423 B11R1.13 Nc1c(cccc1OCF)F 7a_100020591140_100015361967 [1,2,0,0,0,0|1,0,0]=4 14424 B11R1.13 Nc1c(cccc1OCF)I 34a_200000049512_100015361967 [1,2,0,0,0,0|1,0,0]=4 14425 B11R1.13 Nc1c(cccc1OCF)I 7a_200000049512_100015361967 [1,2,0,0,0,0|1,0,0]=4 14426 B11R1.13 Nc1cccc(c1Br)OCF 34a_100012183704_100015361967 [1,2,0,0,0,0|1,0,0]=4 14427 B11R1.13 Nc1cccc(c1Br)OCF 7a_100012183704_100015361967 [1,2,0,0,0,0|1,0,0]=4 14428 B11R1.13 Nc1cccc(c1Cl)OCF 34a_100012002038_100015361967 [1,2,0,0,0,0|1,0,0]=4 14429 B11R1.13 Nc1cccc(c1Cl)OCF 7a_100012002038_100015361967 [1,2,0,0,0,0|1,0,0]=4 14430 B11R1.13 Nc1cccc(c1N)OCF 34a_100000033209_100015361967 [1,2,0,0,0,0|1,0,0]=4 14431 B11R1.41 C#Cc1ccccc1OCC 34a_200011470546_100000210202 [1,2,0,0,0,0|0,0,1]=4 14432 B11R1.41 C#Cc1ccccc1OCC 7a_200011470546_100000210202 [1,2,0,0,0,0|0,0,1]=4 14433 B11R1.41 C#Cc1ccccc1OCF 34a_200011470546_100015361967 [1,2,0,0,0,0|1,0,0]=4 14434 B11R1.41 C#Cc1ccccc1OCF 7a_200011470546_100015361967 [1,2,0,0,0,0|1,0,0]=4 14435 B11R1.41 C=CCc1ccccc1C=C 271570a_100011290941_100009828059 [1,2,0,0,0,0|0,0,0]=3 14436 B11R1.41 C=CCc1ccccc1NC 2230a_200138433279_200000210301 [1,2,0,0,0,0|0,0,0]=3 14437 B11R1.41 C=CCc1ccccc1NC 34a_200138433279_200000210301 [1,2,0,0,0,0|0,0,0]=3 14438 B11R1.41 C=CCc1ccccc1N[13CH3] 2230a_200138433279_200025704644 [1,2,0,0,0,0|0,0,0]=3 14439 B11R1.41 C=CCc1ccccc1N[13CH3] 34a_200138433279_200025704644 [1,2,0,0,0,0|0,0,0]=3 14440 B11R1.41 C=CCc1ccccc1OC 34a_100000211836_200000210301 [1,2,0,0,0,0|0,0,0]=3 14441 B11R1.41 C=CCc1ccccc1OC 7a_100000211836_200000210301 [1,2,0,0,0,0|0,0,0]=3 14442 B11R1.41 C=CCc1ccccc1O[13CH3] 34a_100000211836_200025704644 [1,2,0,0,0,0|0,0,0]=3 14443 B11R1.41 C=CCc1ccccc1O[13CH3] 7a_100000211836_200025704644 [1,2,0,0,0,0|0,0,0]=3 14444 B11R1.41 C=CCc1ccccc1SC 62a_100009828059_200000210301 [1,2,0,0,0,0|0,0,0]=3 14445 B11R1.41 C=CCc1ccccc1SC 62a_200000210301_100009828059 [1,2,0,0,0,0|0,0,0]=3 14446 B11R1.41 C=CCc1ccccc1S[13CH3] 62a_100009828059_200025704644 [1,2,0,0,0,0|0,0,0]=3 14447 B11R1.41 C=CCc1ccccc1S[13CH3] 62a_200025704644_100009828059 [1,2,0,0,0,0|0,0,0]=3 14448 B11R1.41 C=Cc1ccccc1OCC 271570a_100011290941_100000230754 [1,2,0,0,0,0|0,0,1]=4 14449 B11R1.41 CCOc1ccccc1C#N 34a_100000211048_100000210202 [1,2,0,0,0,0|0,0,1]=4 14450 B11R1.41 CCOc1ccccc1C#N 7a_100000211048_100000210202 [1,2,0,0,0,0|0,0,1]=4 14451 B11R1.41 CCOc1ccccc1CC 34a_100000210936_100000210202 [1,2,0,0,0,0|0,0,1]=4 14452 B11R1.41 CCOc1ccccc1CC 7a_100000210936_100000210202 [1,2,0,0,0,0|0,0,1]=4 14453 B11R1.41 CCOc1ccccc1CN 34a_100000185550_100000210202 [1,2,0,0,0,0|0,0,1]=4 14454 B11R1.41 CCOc1ccccc1CO 34a_100011216872_100000210202 [1,2,0,0,0,0|0,0,1]=4 14455 B11R1.41 CCOc1ccccc1NC 34a_100000033821_100000210202 [1,2,0,0,0,0|0,0,1]=4 14456 B11R1.41 CCOc1ccccc1NC 34a_100000211218_200000210301 [1,2,0,0,0,0|0,0,1]=4 14457 B11R1.41 CCOc1ccccc1N[13CH3] 34a_100000211218_200025704644 [1,2,0,0,0,0|0,0,1]=4 14458 B11R1.41 CCOc1ccccc1OC 34a_100000210385_100000210202 [1,2,0,0,0,0|0,0,1]=4 14459 B11R1.41 CCOc1ccccc1OC 34a_100000211404_200000210301 [1,2,0,0,0,0|0,0,1]=4 14460 B11R1.41 CCOc1ccccc1OC 7a_100000211404_200000210301 [1,2,0,0,0,0|0,0,1]=4 14461 B11R1.41 CCOc1ccccc1O[13CH3] 34a_100000211404_200025704644 [1,2,0,0,0,0|0,0,1]=4 14462 B11R1.41 CCOc1ccccc1O[13CH3] 7a_100000211404_200025704644 [1,2,0,0,0,0|0,0,1]=4 14463 B11R1.41 CCOc1ccccc1SC 34a_100011216402_100000210202 [1,2,0,0,0,0|0,0,1]=4 14464 B11R1.41 CCOc1ccccc1SC 62a_100000230754_200000210301 [1,2,0,0,0,0|0,0,1]=4 14465 B11R1.41 CCOc1ccccc1SC 62a_200000210301_100000230754 [1,2,0,0,0,0|0,0,1]=4 14466 B11R1.41 CCOc1ccccc1S[13CH3] 62a_100000230754_200025704644 [1,2,0,0,0,0|0,0,1]=4 14467 B11R1.41 CCOc1ccccc1S[13CH3] 62a_200025704644_100000230754 [1,2,0,0,0,0|0,0,1]=4 14468 B11R1.41 CCc1ccccc1OCF 34a_100000210936_100015361967 [1,2,0,0,0,0|1,0,0]=4 14469 B11R1.41 CCc1ccccc1OCF 7a_100000210936_100015361967 [1,2,0,0,0,0|1,0,0]=4 14470 B11R1.41 CNc1ccccc1OCF 34a_100000033821_100015361967 [1,2,0,0,0,0|1,0,0]=4 14471 B11R1.41 COc1ccccc1OCF 34a_100000210385_100015361967 [1,2,0,0,0,0|1,0,0]=4 14472 B11R1.41 CSc1ccccc1OCF 34a_100011216402_100015361967 [1,2,0,0,0,0|1,0,0]=4 14473 B11R1.41 N#Cc1ccccc1OCF 34a_100000211048_100015361967 [1,2,0,0,0,0|1,0,0]=4 14474 B11R1.41 N#Cc1ccccc1OCF 7a_100000211048_100015361967 [1,2,0,0,0,0|1,0,0]=4 14475 B11R1.41 NCc1ccccc1OCF 34a_100000185550_100015361967 [1,2,0,0,0,0|1,0,0]=4 14476 B11R1.41 OCc1ccccc1OCF 34a_100011216872_100015361967 [1,2,0,0,0,0|1,0,0]=4 14477 B11R1.86 CC(=O)Cc1ccccc1Br 1458a_100000070787_100000184730 [1,2,0,0,0,0|0,0,1]=4 14478 B11R1.86 CC(=O)Cc1ccccc1Br 1458a_100000751119_200000210301 [1,2,0,0,0,0|0,0,1]=4 14479 B11R1.86 CC(=O)Cc1ccccc1C 1458a_100000070787_100000211839 [1,2,0,0,0,0|0,0,1]=4 14480 B11R1.86 CC(=O)Cc1ccccc1C 1458a_100000212180_200000210301 [1,2,0,0,0,0|0,0,1]=4 14481 B11R1.86 CC(=O)Cc1ccccc1Cl 1458a_100000070787_100000187162 [1,2,0,0,0,0|0,0,1]=4 14482 B11R1.86 CC(=O)Cc1ccccc1Cl 1458a_100000183793_200000210301 [1,2,0,0,0,0|0,0,1]=4 14483 B11R1.86 CC(=O)Cc1ccccc1F 1458a_100000070787_100000187165 [1,2,0,0,0,0|0,0,1]=4 14484 B11R1.86 CC(=O)Cc1ccccc1F 1458a_100000212012_200000210301 [1,2,0,0,0,0|0,0,1]=4 14485 B11R1.86 CC(=O)Cc1ccccc1I 1458a_100000036491_200000210301 [1,2,0,0,0,0|0,0,1]=4 14486 B11R1.86 CC(=O)Cc1ccccc1I 1458a_100000070787_100011216222 [1,2,0,0,0,0|0,0,1]=4 14487 B11R1.86 CC(=O)Cc1ccccc1O 1458a_100000743006_200000210301 [1,2,0,0,0,0|0,0,1]=4 14488 B11R1.86 CC(=O)Cc1ccccc1O 271570a_203496583355_100011350739 [1,2,0,0,0,0|0,0,1]=4 14489 B11R1.86 CC(=O)Oc1ccccc1O 271570a_203496583355_100000051690 [1,2,0,0,0,0|0,0,1]=4 14490 B11R1.86 CC(C)Oc1ccccc1Br 34a_100000181306_100000210206 [1,2,0,0,0,0|0,0,1]=4 14491 B11R1.86 CC(C)Oc1ccccc1Br 7a_100000181306_100000210206 [1,2,0,0,0,0|0,0,1]=4 14492 B11R1.86 CC(C)Oc1ccccc1Cl 34a_100000210172_100000210206 [1,2,0,0,0,0|0,0,1]=4 14493 B11R1.86 CC(C)Oc1ccccc1Cl 7a_100000210172_100000210206 [1,2,0,0,0,0|0,0,1]=4 14494 B11R1.86 CC(C)Oc1ccccc1F 34a_100000210171_100000210206 [1,2,0,0,0,0|0,0,1]=4 14495 B11R1.86 CC(C)Oc1ccccc1F 7a_100000210171_100000210206 [1,2,0,0,0,0|0,0,1]=4 14496 B11R1.86 CC(C)Oc1ccccc1I 34a_100000739446_100000210206 [1,2,0,0,0,0|0,0,1]=4 14497 B11R1.86 CC(C)Oc1ccccc1I 7a_100000739446_100000210206 [1,2,0,0,0,0|0,0,1]=4 14498 B11R1.86 CC(C)Oc1ccccc1N 34a_100000185747_100000210206 [1,2,0,0,0,0|0,0,1]=4 14499 B11R1.86 CC(C)Oc1ccccc1N 7a_100000185747_100000210206 [1,2,0,0,0,0|0,0,1]=4 14500 B11R1.86 CC(C)Oc1ccccc1O 271570a_203496583355_100000173919 [1,2,0,0,0,0|0,0,1]=4 14501 B11R1.86 Cc1ccccc1CC(=O)[13CH3] 1458a_100000212180_200025704644 [1,2,0,0,0,0|0,0,1]=4 14502 B11R1.86 Cc1ccccc1OC(C)C 34a_100000210338_100000210206 [1,2,0,0,0,0|0,0,1]=4 14503 B11R1.86 Cc1ccccc1OC(C)C 7a_100000210338_100000210206 [1,2,0,0,0,0|0,0,1]=4 14504 B11R1.86 NC(=O)Cc1ccccc1O 271570a_203496583355_200009814924 [1,2,0,0,0,0|1,0,0]=4 14505 B11R1.86 Oc1ccccc1OC(F)F 271570a_203496583355_100000742724 [1,2,0,0,0,0|1,0,0]=4 14506 B11R1.86 [13CH3]C(=O)Cc1ccccc1Br 1458a_100000751119_200025704644 [1,2,0,0,0,0|0,0,1]=4 14507 B11R1.86 [13CH3]C(=O)Cc1ccccc1Cl 1458a_100000183793_200025704644 [1,2,0,0,0,0|0,0,1]=4 14508 B11R1.86 [13CH3]C(=O)Cc1ccccc1F 1458a_100000212012_200025704644 [1,2,0,0,0,0|0,0,1]=4 14509 B11R1.86 [13CH3]C(=O)Cc1ccccc1I 1458a_100000036491_200025704644 [1,2,0,0,0,0|0,0,1]=4 14510 B11R1.86 [13CH3]C(=O)Cc1ccccc1O 1458a_100000743006_200025704644 [1,2,0,0,0,0|0,0,1]=4 14511 B11R1.182 CCOc1cc(ccc1Br)Br 34a_100011220040_100000210202 [1,2,0,0,0,0|0,0,1]=4 14512 B11R1.182 CCOc1cc(ccc1Br)Br 7a_100011220040_100000210202 [1,2,0,0,0,0|0,0,1]=4 14513 B11R1.182 CCOc1cc(ccc1Br)C 34a_100012002257_100000210202 [1,2,0,0,0,0|0,0,1]=4 14514 B11R1.182 CCOc1cc(ccc1Br)C 7a_100012002257_100000210202 [1,2,0,0,0,0|0,0,1]=4 14515 B11R1.182 CCOc1cc(ccc1Br)Cl 34a_100012339455_100000210202 [1,2,0,0,0,0|0,0,1]=4 14516 B11R1.182 CCOc1cc(ccc1Br)Cl 7a_100012339455_100000210202 [1,2,0,0,0,0|0,0,1]=4 14517 B11R1.182 CCOc1cc(ccc1Br)F 34a_100000690578_100000210202 [1,2,0,0,0,0|0,0,1]=4 14518 B11R1.182 CCOc1cc(ccc1Br)F 7a_100000690578_100000210202 [1,2,0,0,0,0|0,0,1]=4 14519 B11R1.182 CCOc1cc(ccc1Br)I 34a_100012356990_100000210202 [1,2,0,0,0,0|0,0,1]=4 14520 B11R1.182 CCOc1cc(ccc1Br)I 7a_100012356990_100000210202 [1,2,0,0,0,0|0,0,1]=4 14521 B11R1.182 CCOc1cc(ccc1C)Br 34a_100000685420_100000210202 [1,2,0,0,0,0|0,0,1]=4 14522 B11R1.182 CCOc1cc(ccc1C)Br 7a_100000685420_100000210202 [1,2,0,0,0,0|0,0,1]=4 14523 B11R1.182 CCOc1cc(ccc1C)C 34a_100000210931_100000210202 [1,2,0,0,0,0|0,0,1]=4 14524 B11R1.182 CCOc1cc(ccc1C)C 7a_100000210931_100000210202 [1,2,0,0,0,0|0,0,1]=4 14525 B11R1.182 CCOc1cc(ccc1C)Cl 34a_100000756515_100000210202 [1,2,0,0,0,0|0,0,1]=4 14526 B11R1.182 CCOc1cc(ccc1C)Cl 7a_100000756515_100000210202 [1,2,0,0,0,0|0,0,1]=4 14527 B11R1.182 CCOc1cc(ccc1C)F 34a_100000690566_100000210202 [1,2,0,0,0,0|0,0,1]=4 14528 B11R1.182 CCOc1cc(ccc1C)F 7a_100000690566_100000210202 [1,2,0,0,0,0|0,0,1]=4 14529 B11R1.182 CCOc1cc(ccc1C)I 7a_100000766334_100000210202 [1,2,0,0,0,0|0,0,1]=4 14530 B11R1.182 CCOc1cc(ccc1C)N 34a_100000759471_100000210202 [1,2,0,0,0,0|0,0,1]=4 14531 B11R1.182 CCOc1cc(ccc1C)N 7a_100000759471_100000210202 [1,2,0,0,0,0|0,0,1]=4 14532 B11R1.182 CCOc1cc(ccc1C)O 271570a_203496583355_100012361169 [1,2,0,0,0,0|0,0,1]=4 14533 B11R1.182 CCOc1cc(ccc1Cl)Br 34a_100000738945_100000210202 [1,2,0,0,0,0|0,0,1]=4 14534 B11R1.182 CCOc1cc(ccc1Cl)Br 7a_100000738945_100000210202 [1,2,0,0,0,0|0,0,1]=4 14535 B11R1.182 CCOc1cc(ccc1Cl)C 34a_100000211493_100000210202 [1,2,0,0,0,0|0,0,1]=4 14536 B11R1.182 CCOc1cc(ccc1Cl)C 7a_100000211493_100000210202 [1,2,0,0,0,0|0,0,1]=4 14537 B11R1.182 CCOc1cc(ccc1Cl)Cl 34a_100000211422_100000210202 [1,2,0,0,0,0|0,0,1]=4 14538 B11R1.182 CCOc1cc(ccc1Cl)Cl 7a_100000211422_100000210202 [1,2,0,0,0,0|0,0,1]=4 14539 B11R1.182 CCOc1cc(ccc1Cl)F 34a_100000692107_100000210202 [1,2,0,0,0,0|0,0,1]=4 14540 B11R1.182 CCOc1cc(ccc1Cl)F 7a_100000692107_100000210202 [1,2,0,0,0,0|0,0,1]=4 14541 B11R1.182 CCOc1cc(ccc1Cl)I 34a_100011356854_100000210202 [1,2,0,0,0,0|0,0,1]=4 14542 B11R1.182 CCOc1cc(ccc1Cl)I 7a_100011356854_100000210202 [1,2,0,0,0,0|0,0,1]=4 14543 B11R1.182 CCOc1cc(ccc1Cl)N 34a_100011934209_100000210202 [1,2,0,0,0,0|0,0,1]=4 14544 B11R1.182 CCOc1cc(ccc1F)Br 34a_100000686035_100000210202 [1,2,0,0,0,0|0,0,1]=4 14545 B11R1.182 CCOc1cc(ccc1F)Br 7a_100000686035_100000210202 [1,2,0,0,0,0|0,0,1]=4 14546 B11R1.182 CCOc1cc(ccc1F)C 34a_100000759540_100000210202 [1,2,0,0,0,0|0,0,1]=4 14547 B11R1.182 CCOc1cc(ccc1F)C 7a_100000759540_100000210202 [1,2,0,0,0,0|0,0,1]=4 14548 B11R1.182 CCOc1cc(ccc1F)Cl 34a_100000757397_100000210202 [1,2,0,0,0,0|0,0,1]=4 14549 B11R1.182 CCOc1cc(ccc1F)Cl 7a_100000757397_100000210202 [1,2,0,0,0,0|0,0,1]=4 14550 B11R1.182 CCOc1cc(ccc1F)F 34a_100000752141_100000210202 [1,2,0,0,0,0|0,0,1]=4 14551 B11R1.182 CCOc1cc(ccc1F)F 7a_100000752141_100000210202 [1,2,0,0,0,0|0,0,1]=4 14552 B11R1.182 CCOc1cc(ccc1F)I 34a_100009958187_100000210202 [1,2,0,0,0,0|0,0,1]=4 14553 B11R1.182 CCOc1cc(ccc1F)I 7a_100009958187_100000210202 [1,2,0,0,0,0|0,0,1]=4 14554 B11R1.182 CCOc1cc(ccc1F)N 34a_100012017398_100000210202 [1,2,0,0,0,0|0,0,1]=4 14555 B11R1.182 CCOc1cc(ccc1F)N 7a_100012017398_100000210202 [1,2,0,0,0,0|0,0,1]=4 14556 B11R1.182 CCOc1cc(ccc1F)O 271570a_203496583355_200012344967 [1,2,0,0,0,0|0,0,1]=4 14557 B11R1.182 CCOc1cc(ccc1I)Br 34a_100012344904_100000210202 [1,2,0,0,0,0|0,0,1]=4 14558 B11R1.182 CCOc1cc(ccc1I)Br 7a_100012344904_100000210202 [1,2,0,0,0,0|0,0,1]=4 14559 B11R1.182 CCOc1cc(ccc1I)Cl 34a_100000050036_100000210202 [1,2,0,0,0,0|0,0,1]=4 14560 B11R1.182 CCOc1cc(ccc1I)Cl 7a_100000050036_100000210202 [1,2,0,0,0,0|0,0,1]=4 14561 B11R1.182 CCOc1cc(ccc1I)F 34a_100010084537_100000210202 [1,2,0,0,0,0|0,0,1]=4 14562 B11R1.182 CCOc1cc(ccc1I)F 7a_100010084537_100000210202 [1,2,0,0,0,0|0,0,1]=4 14563 B11R1.182 CCOc1cc(ccc1N)Br 34a_100000739049_100000210202 [1,2,0,0,0,0|0,0,1]=4 14564 B11R1.182 CCOc1cc(ccc1N)Br 7a_100000739049_100000210202 [1,2,0,0,0,0|0,0,1]=4 14565 B11R1.182 CCOc1cc(ccc1N)C 34a_100000211527_100000210202 [1,2,0,0,0,0|0,0,1]=4 14566 B11R1.182 CCOc1cc(ccc1N)C 7a_100000211527_100000210202 [1,2,0,0,0,0|0,0,1]=4 14567 B11R1.182 CCOc1cc(ccc1N)Cl 34a_100000185728_100000210202 [1,2,0,0,0,0|0,0,1]=4 14568 B11R1.182 CCOc1cc(ccc1N)Cl 7a_100000185728_100000210202 [1,2,0,0,0,0|0,0,1]=4 14569 B11R1.182 CCOc1cc(ccc1N)F 34a_100000753323_100000210202 [1,2,0,0,0,0|0,0,1]=4 14570 B11R1.182 CCOc1cc(ccc1N)F 7a_100000753323_100000210202 [1,2,0,0,0,0|0,0,1]=4 14571 B11R1.182 CCOc1cc(ccc1N)I 34a_100000057187_100000210202 [1,2,0,0,0,0|0,0,1]=4 14572 B11R1.182 CCOc1cc(ccc1N)I 7a_100000057187_100000210202 [1,2,0,0,0,0|0,0,1]=4 14573 B11R1.182 CCOc1cc(ccc1N)N 34a_100025717382_100000210202 [1,2,0,0,0,0|0,0,1]=4 14574 B11R1.182 CCOc1cc(ccc1N)O 271570a_203496583355_100000688918 [1,2,0,0,0,0|0,0,1]=4 14575 B11R1.182 CCOc1cc(ccc1O)C 271570a_203496583355_200010713166 [1,2,0,0,0,0|0,0,1]=4 14576 B11R1.182 CCOc1cc(ccc1O)F 271570a_203496583355_200012340411 [1,2,0,0,0,0|0,0,1]=4 14577 B11R1.182 CCOc1cc(ccc1O)N 271570a_203496583355_200016990551 [1,2,0,0,0,0|0,0,1]=4 14578 B11R1.182 Cc1ccc(c(c1)OCF)Br 34a_100012002257_100015361967 [1,2,0,0,0,0|1,0,0]=4 14579 B11R1.182 Cc1ccc(c(c1)OCF)Br 7a_100012002257_100015361967 [1,2,0,0,0,0|1,0,0]=4 14580 B11R1.182 Cc1ccc(c(c1)OCF)C 34a_100000210931_100015361967 [1,2,0,0,0,0|1,0,0]=4 14581 B11R1.182 Cc1ccc(c(c1)OCF)C 7a_100000210931_100015361967 [1,2,0,0,0,0|1,0,0]=4 14582 B11R1.182 Cc1ccc(c(c1)OCF)Cl 34a_100000211493_100015361967 [1,2,0,0,0,0|1,0,0]=4 14583 B11R1.182 Cc1ccc(c(c1)OCF)Cl 7a_100000211493_100015361967 [1,2,0,0,0,0|1,0,0]=4 14584 B11R1.182 Cc1ccc(c(c1)OCF)F 34a_100000759540_100015361967 [1,2,0,0,0,0|1,0,0]=4 14585 B11R1.182 Cc1ccc(c(c1)OCF)F 7a_100000759540_100015361967 [1,2,0,0,0,0|1,0,0]=4 14586 B11R1.182 Cc1ccc(c(c1)OCF)N 34a_100000211527_100015361967 [1,2,0,0,0,0|1,0,0]=4 14587 B11R1.182 Cc1ccc(c(c1)OCF)N 7a_100000211527_100015361967 [1,2,0,0,0,0|1,0,0]=4 14588 B11R1.182 Cc1ccc(cc1OCF)Br 34a_100000685420_100015361967 [1,2,0,0,0,0|1,0,0]=4 14589 B11R1.182 Cc1ccc(cc1OCF)Br 7a_100000685420_100015361967 [1,2,0,0,0,0|1,0,0]=4 14590 B11R1.182 Cc1ccc(cc1OCF)Cl 34a_100000756515_100015361967 [1,2,0,0,0,0|1,0,0]=4 14591 B11R1.182 Cc1ccc(cc1OCF)Cl 7a_100000756515_100015361967 [1,2,0,0,0,0|1,0,0]=4 14592 B11R1.182 Cc1ccc(cc1OCF)F 34a_100000690566_100015361967 [1,2,0,0,0,0|1,0,0]=4 14593 B11R1.182 Cc1ccc(cc1OCF)F 7a_100000690566_100015361967 [1,2,0,0,0,0|1,0,0]=4 14594 B11R1.182 Cc1ccc(cc1OCF)I 7a_100000766334_100015361967 [1,2,0,0,0,0|1,0,0]=4 14595 B11R1.182 Cc1ccc(cc1OCF)N 34a_100000759471_100015361967 [1,2,0,0,0,0|1,0,0]=4 14596 B11R1.182 Cc1ccc(cc1OCF)N 7a_100000759471_100015361967 [1,2,0,0,0,0|1,0,0]=4 14597 B11R1.182 FCOc1cc(ccc1Br)Br 34a_100011220040_100015361967 [1,2,0,0,0,0|1,0,0]=4 14598 B11R1.182 FCOc1cc(ccc1Br)Br 7a_100011220040_100015361967 [1,2,0,0,0,0|1,0,0]=4 14599 B11R1.182 FCOc1cc(ccc1Br)Cl 34a_100012339455_100015361967 [1,2,0,0,0,0|1,0,0]=4 14600 B11R1.182 FCOc1cc(ccc1Br)Cl 7a_100012339455_100015361967 [1,2,0,0,0,0|1,0,0]=4 14601 B11R1.182 FCOc1cc(ccc1Br)F 34a_100000690578_100015361967 [1,2,0,0,0,0|1,0,0]=4 14602 B11R1.182 FCOc1cc(ccc1Br)F 7a_100000690578_100015361967 [1,2,0,0,0,0|1,0,0]=4 14603 B11R1.182 FCOc1cc(ccc1Br)I 34a_100012356990_100015361967 [1,2,0,0,0,0|1,0,0]=4 14604 B11R1.182 FCOc1cc(ccc1Br)I 7a_100012356990_100015361967 [1,2,0,0,0,0|1,0,0]=4 14605 B11R1.182 FCOc1cc(ccc1Cl)Br 34a_100000738945_100015361967 [1,2,0,0,0,0|1,0,0]=4 14606 B11R1.182 FCOc1cc(ccc1Cl)Br 7a_100000738945_100015361967 [1,2,0,0,0,0|1,0,0]=4 14607 B11R1.182 FCOc1cc(ccc1Cl)Cl 34a_100000211422_100015361967 [1,2,0,0,0,0|1,0,0]=4 14608 B11R1.182 FCOc1cc(ccc1Cl)Cl 7a_100000211422_100015361967 [1,2,0,0,0,0|1,0,0]=4 14609 B11R1.182 FCOc1cc(ccc1Cl)F 34a_100000692107_100015361967 [1,2,0,0,0,0|1,0,0]=4 14610 B11R1.182 FCOc1cc(ccc1Cl)F 7a_100000692107_100015361967 [1,2,0,0,0,0|1,0,0]=4 14611 B11R1.182 FCOc1cc(ccc1Cl)I 34a_100011356854_100015361967 [1,2,0,0,0,0|1,0,0]=4 14612 B11R1.182 FCOc1cc(ccc1Cl)I 7a_100011356854_100015361967 [1,2,0,0,0,0|1,0,0]=4 14613 B11R1.182 FCOc1cc(ccc1F)Br 34a_100000686035_100015361967 [1,2,0,0,0,0|1,0,0]=4 14614 B11R1.182 FCOc1cc(ccc1F)Br 7a_100000686035_100015361967 [1,2,0,0,0,0|1,0,0]=4 14615 B11R1.182 FCOc1cc(ccc1F)Cl 34a_100000757397_100015361967 [1,2,0,0,0,0|1,0,0]=4 14616 B11R1.182 FCOc1cc(ccc1F)Cl 7a_100000757397_100015361967 [1,2,0,0,0,0|1,0,0]=4 14617 B11R1.182 FCOc1cc(ccc1F)F 34a_100000752141_100015361967 [1,2,0,0,0,0|1,0,0]=4 14618 B11R1.182 FCOc1cc(ccc1F)F 7a_100000752141_100015361967 [1,2,0,0,0,0|1,0,0]=4 14619 B11R1.182 FCOc1cc(ccc1F)I 34a_100009958187_100015361967 [1,2,0,0,0,0|1,0,0]=4 14620 B11R1.182 FCOc1cc(ccc1F)I 7a_100009958187_100015361967 [1,2,0,0,0,0|1,0,0]=4 14621 B11R1.182 FCOc1cc(ccc1I)Br 34a_100012344904_100015361967 [1,2,0,0,0,0|1,0,0]=4 14622 B11R1.182 FCOc1cc(ccc1I)Br 7a_100012344904_100015361967 [1,2,0,0,0,0|1,0,0]=4 14623 B11R1.182 FCOc1cc(ccc1I)Cl 34a_100000050036_100015361967 [1,2,0,0,0,0|1,0,0]=4 14624 B11R1.182 FCOc1cc(ccc1I)Cl 7a_100000050036_100015361967 [1,2,0,0,0,0|1,0,0]=4 14625 B11R1.182 FCOc1cc(ccc1I)F 34a_100010084537_100015361967 [1,2,0,0,0,0|1,0,0]=4 14626 B11R1.182 FCOc1cc(ccc1I)F 7a_100010084537_100015361967 [1,2,0,0,0,0|1,0,0]=4 14627 B11R1.182 Nc1ccc(c(c1)OCF)Cl 34a_100011934209_100015361967 [1,2,0,0,0,0|1,0,0]=4 14628 B11R1.182 Nc1ccc(c(c1)OCF)F 34a_100012017398_100015361967 [1,2,0,0,0,0|1,0,0]=4 14629 B11R1.182 Nc1ccc(c(c1)OCF)F 7a_100012017398_100015361967 [1,2,0,0,0,0|1,0,0]=4 14630 B11R1.182 Nc1ccc(c(c1)OCF)N 34a_100025717382_100015361967 [1,2,0,0,0,0|1,0,0]=4 14631 B11R1.182 Nc1ccc(cc1OCF)Br 34a_100000739049_100015361967 [1,2,0,0,0,0|1,0,0]=4 14632 B11R1.182 Nc1ccc(cc1OCF)Br 7a_100000739049_100015361967 [1,2,0,0,0,0|1,0,0]=4 14633 B11R1.182 Nc1ccc(cc1OCF)Cl 34a_100000185728_100015361967 [1,2,0,0,0,0|1,0,0]=4 14634 B11R1.182 Nc1ccc(cc1OCF)Cl 7a_100000185728_100015361967 [1,2,0,0,0,0|1,0,0]=4 14635 B11R1.182 Nc1ccc(cc1OCF)F 34a_100000753323_100015361967 [1,2,0,0,0,0|1,0,0]=4 14636 B11R1.182 Nc1ccc(cc1OCF)F 7a_100000753323_100015361967 [1,2,0,0,0,0|1,0,0]=4 14637 B11R1.182 Nc1ccc(cc1OCF)I 34a_100000057187_100015361967 [1,2,0,0,0,0|1,0,0]=4 14638 B11R1.182 Nc1ccc(cc1OCF)I 7a_100000057187_100015361967 [1,2,0,0,0,0|1,0,0]=4 14639 B11R1.605 C=CCc1c(ccnc1F)O 271570a_203496583355_200010238768 [1,2,0,0,0,0|1,0,0]=4 14640 B11R1.605 CCOc1c(cccc1Br)Br 34a_100000736428_100000210202 [1,2,0,0,0,0|0,0,1]=4 14641 B11R1.605 CCOc1c(cccc1Br)Br 7a_100000736428_100000210202 [1,2,0,0,0,0|0,0,1]=4 14642 B11R1.605 CCOc1c(cccc1Br)C 34a_100009817157_100000210202 [1,2,0,0,0,0|0,0,1]=4 14643 B11R1.605 CCOc1c(cccc1Br)C 7a_100009817157_100000210202 [1,2,0,0,0,0|0,0,1]=4 14644 B11R1.605 CCOc1c(cccc1Br)Cl 34a_100010214474_100000210202 [1,2,0,0,0,0|0,0,1]=4 14645 B11R1.605 CCOc1c(cccc1Br)Cl 7a_100010214474_100000210202 [1,2,0,0,0,0|0,0,1]=4 14646 B11R1.605 CCOc1c(cccc1Br)F 34a_100009813666_100000210202 [1,2,0,0,0,0|0,0,1]=4 14647 B11R1.605 CCOc1c(cccc1Br)F 7a_100009813666_100000210202 [1,2,0,0,0,0|0,0,1]=4 14648 B11R1.605 CCOc1c(cccc1Br)N 34a_100011934915_100000210202 [1,2,0,0,0,0|0,0,1]=4 14649 B11R1.605 CCOc1c(cccc1C)C 34a_100000210341_100000210202 [1,2,0,0,0,0|0,0,1]=4 14650 B11R1.605 CCOc1c(cccc1C)C 7a_100000210341_100000210202 [1,2,0,0,0,0|0,0,1]=4 14651 B11R1.605 CCOc1c(cccc1Cl)C 34a_100000033731_100000210202 [1,2,0,0,0,0|0,0,1]=4 14652 B11R1.605 CCOc1c(cccc1Cl)C 7a_100000033731_100000210202 [1,2,0,0,0,0|0,0,1]=4 14653 B11R1.605 CCOc1c(cccc1Cl)Cl 34a_100000211709_100000210202 [1,2,0,0,0,0|0,0,1]=4 14654 B11R1.605 CCOc1c(cccc1Cl)Cl 7a_100000211709_100000210202 [1,2,0,0,0,0|0,0,1]=4 14655 B11R1.605 CCOc1c(cccc1Cl)F 34a_100000694953_100000210202 [1,2,0,0,0,0|0,0,1]=4 14656 B11R1.605 CCOc1c(cccc1Cl)F 7a_100000694953_100000210202 [1,2,0,0,0,0|0,0,1]=4 14657 B11R1.605 CCOc1c(cccc1Cl)N 34a_100000754742_100000210202 [1,2,0,0,0,0|0,0,1]=4 14658 B11R1.605 CCOc1c(cccc1F)C 34a_100011659162_100000210202 [1,2,0,0,0,0|0,0,1]=4 14659 B11R1.605 CCOc1c(cccc1F)C 7a_100011659162_100000210202 [1,2,0,0,0,0|0,0,1]=4 14660 B11R1.605 CCOc1c(cccc1F)F 34a_100000230165_100000210202 [1,2,0,0,0,0|0,0,1]=4 14661 B11R1.605 CCOc1c(cccc1F)F 7a_100000230165_100000210202 [1,2,0,0,0,0|0,0,1]=4 14662 B11R1.605 CCOc1c(cccc1F)N 34a_100011934987_100000210202 [1,2,0,0,0,0|0,0,1]=4 14663 B11R1.605 CCOc1c(cccc1F)O 271570a_203496583355_100010232518 [1,2,0,0,0,0|0,0,1]=4 14664 B11R1.605 CCOc1c(cccc1I)Br 34a_100010084509_100000210202 [1,2,0,0,0,0|0,0,1]=4 14665 B11R1.605 CCOc1c(cccc1I)Br 7a_100010084509_100000210202 [1,2,0,0,0,0|0,0,1]=4 14666 B11R1.605 CCOc1c(cccc1I)Cl 34a_100010202889_100000210202 [1,2,0,0,0,0|0,0,1]=4 14667 B11R1.605 CCOc1c(cccc1I)Cl 7a_100010202889_100000210202 [1,2,0,0,0,0|0,0,1]=4 14668 B11R1.605 CCOc1c(cccc1I)F 34a_100010186298_100000210202 [1,2,0,0,0,0|0,0,1]=4 14669 B11R1.605 CCOc1c(cccc1I)F 7a_100010186298_100000210202 [1,2,0,0,0,0|0,0,1]=4 14670 B11R1.605 CCOc1c(cccc1I)N 34a_100010084371_100000210202 [1,2,0,0,0,0|0,0,1]=4 14671 B11R1.605 CCOc1c(cccc1N)C 34a_100000756359_100000210202 [1,2,0,0,0,0|0,0,1]=4 14672 B11R1.605 CCOc1c(cccc1N)C 7a_100000756359_100000210202 [1,2,0,0,0,0|0,0,1]=4 14673 B11R1.605 CCOc1c(cccc1N)N 34a_200016994477_100000210202 [1,2,0,0,0,0|0,0,1]=4 14674 B11R1.605 Cc1cccc(c1OCF)Br 34a_100009817157_100015361967 [1,2,0,0,0,0|1,0,0]=4 14675 B11R1.605 Cc1cccc(c1OCF)Br 7a_100009817157_100015361967 [1,2,0,0,0,0|1,0,0]=4 14676 B11R1.605 Cc1cccc(c1OCF)C 34a_100000210341_100015361967 [1,2,0,0,0,0|1,0,0]=4 14677 B11R1.605 Cc1cccc(c1OCF)C 7a_100000210341_100015361967 [1,2,0,0,0,0|1,0,0]=4 14678 B11R1.605 Cc1cccc(c1OCF)Cl 34a_100000033731_100015361967 [1,2,0,0,0,0|1,0,0]=4 14679 B11R1.605 Cc1cccc(c1OCF)Cl 7a_100000033731_100015361967 [1,2,0,0,0,0|1,0,0]=4 14680 B11R1.605 Cc1cccc(c1OCF)F 34a_100011659162_100015361967 [1,2,0,0,0,0|1,0,0]=4 14681 B11R1.605 Cc1cccc(c1OCF)F 7a_100011659162_100015361967 [1,2,0,0,0,0|1,0,0]=4 14682 B11R1.605 Cc1cccc(c1OCF)N 34a_100000756359_100015361967 [1,2,0,0,0,0|1,0,0]=4 14683 B11R1.605 Cc1cccc(c1OCF)N 7a_100000756359_100015361967 [1,2,0,0,0,0|1,0,0]=4 14684 B11R1.605 FCOc1c(cccc1Br)Br 34a_100000736428_100015361967 [1,2,0,0,0,0|1,0,0]=4 14685 B11R1.605 FCOc1c(cccc1Br)Br 7a_100000736428_100015361967 [1,2,0,0,0,0|1,0,0]=4 14686 B11R1.605 FCOc1c(cccc1Br)Cl 34a_100010214474_100015361967 [1,2,0,0,0,0|1,0,0]=4 14687 B11R1.605 FCOc1c(cccc1Br)Cl 7a_100010214474_100015361967 [1,2,0,0,0,0|1,0,0]=4 14688 B11R1.605 FCOc1c(cccc1Br)F 34a_100009813666_100015361967 [1,2,0,0,0,0|1,0,0]=4 14689 B11R1.605 FCOc1c(cccc1Br)F 7a_100009813666_100015361967 [1,2,0,0,0,0|1,0,0]=4 14690 B11R1.605 FCOc1c(cccc1Cl)Cl 34a_100000211709_100015361967 [1,2,0,0,0,0|1,0,0]=4 14691 B11R1.605 FCOc1c(cccc1Cl)Cl 7a_100000211709_100015361967 [1,2,0,0,0,0|1,0,0]=4 14692 B11R1.605 FCOc1c(cccc1Cl)F 34a_100000694953_100015361967 [1,2,0,0,0,0|1,0,0]=4 14693 B11R1.605 FCOc1c(cccc1Cl)F 7a_100000694953_100015361967 [1,2,0,0,0,0|1,0,0]=4 14694 B11R1.605 FCOc1c(cccc1F)F 34a_100000230165_100015361967 [1,2,0,0,0,0|1,0,0]=4 14695 B11R1.605 FCOc1c(cccc1F)F 7a_100000230165_100015361967 [1,2,0,0,0,0|1,0,0]=4 14696 B11R1.605 FCOc1c(cccc1I)Br 34a_100010084509_100015361967 [1,2,0,0,0,0|1,0,0]=4 14697 B11R1.605 FCOc1c(cccc1I)Br 7a_100010084509_100015361967 [1,2,0,0,0,0|1,0,0]=4 14698 B11R1.605 FCOc1c(cccc1I)Cl 34a_100010202889_100015361967 [1,2,0,0,0,0|1,0,0]=4 14699 B11R1.605 FCOc1c(cccc1I)Cl 7a_100010202889_100015361967 [1,2,0,0,0,0|1,0,0]=4 14700 B11R1.605 FCOc1c(cccc1I)F 34a_100010186298_100015361967 [1,2,0,0,0,0|1,0,0]=4 14701 B11R1.605 FCOc1c(cccc1I)F 7a_100010186298_100015361967 [1,2,0,0,0,0|1,0,0]=4 14702 B11R1.605 Nc1cccc(c1OCF)Br 34a_100011934915_100015361967 [1,2,0,0,0,0|1,0,0]=4 14703 B11R1.605 Nc1cccc(c1OCF)Cl 34a_100000754742_100015361967 [1,2,0,0,0,0|1,0,0]=4 14704 B11R1.605 Nc1cccc(c1OCF)F 34a_100011934987_100015361967 [1,2,0,0,0,0|1,0,0]=4 14705 B11R1.605 Nc1cccc(c1OCF)I 34a_100010084371_100015361967 [1,2,0,0,0,0|1,0,0]=4 14706 B11R1.605 Nc1cccc(c1OCF)N 34a_200016994477_100015361967 [1,2,0,0,0,0|1,0,0]=4 14707 B11R1.34 CCOc1cc(cc(c1)Br)Br 34a_100010167048_100000210202 [1,2,0,0,0,0|0,0,1]=4 14708 B11R1.34 CCOc1cc(cc(c1)Br)Br 7a_100010167048_100000210202 [1,2,0,0,0,0|0,0,1]=4 14709 B11R1.34 CCOc1cc(cc(c1)Br)C 34a_100011999630_100000210202 [1,2,0,0,0,0|0,0,1]=4 14710 B11R1.34 CCOc1cc(cc(c1)Br)C 7a_100011999630_100000210202 [1,2,0,0,0,0|0,0,1]=4 14711 B11R1.34 CCOc1cc(cc(c1)Br)Cl 34a_100010185897_100000210202 [1,2,0,0,0,0|0,0,1]=4 14712 B11R1.34 CCOc1cc(cc(c1)Br)Cl 7a_100010185897_100000210202 [1,2,0,0,0,0|0,0,1]=4 14713 B11R1.34 CCOc1cc(cc(c1)Br)F 34a_100000688818_100000210202 [1,2,0,0,0,0|0,0,1]=4 14714 B11R1.34 CCOc1cc(cc(c1)Br)F 7a_100000688818_100000210202 [1,2,0,0,0,0|0,0,1]=4 14715 B11R1.34 CCOc1cc(cc(c1)C)C 34a_100000210933_100000210202 [1,2,0,0,0,0|0,0,1]=4 14716 B11R1.34 CCOc1cc(cc(c1)C)C 7a_100000210933_100000210202 [1,2,0,0,0,0|0,0,1]=4 14717 B11R1.34 CCOc1cc(cc(c1)Cl)C 34a_100000087485_100000210202 [1,2,0,0,0,0|0,0,1]=4 14718 B11R1.34 CCOc1cc(cc(c1)Cl)C 7a_100000087485_100000210202 [1,2,0,0,0,0|0,0,1]=4 14719 B11R1.34 CCOc1cc(cc(c1)Cl)Cl 34a_100000181315_100000210202 [1,2,0,0,0,0|0,0,1]=4 14720 B11R1.34 CCOc1cc(cc(c1)Cl)Cl 7a_100000181315_100000210202 [1,2,0,0,0,0|0,0,1]=4 14721 B11R1.34 CCOc1cc(cc(c1)Cl)F 34a_100011219751_100000210202 [1,2,0,0,0,0|0,0,1]=4 14722 B11R1.34 CCOc1cc(cc(c1)Cl)F 7a_100011219751_100000210202 [1,2,0,0,0,0|0,0,1]=4 14723 B11R1.34 CCOc1cc(cc(c1)Cl)N 34a_100000123917_100000210202 [1,2,0,0,0,0|0,0,1]=4 14724 B11R1.34 CCOc1cc(cc(c1)Cl)N 7a_100000123917_100000210202 [1,2,0,0,0,0|0,0,1]=4 14725 B11R1.34 CCOc1cc(cc(c1)F)C 34a_100011830401_100000210202 [1,2,0,0,0,0|0,0,1]=4 14726 B11R1.34 CCOc1cc(cc(c1)F)C 7a_100011830401_100000210202 [1,2,0,0,0,0|0,0,1]=4 14727 B11R1.34 CCOc1cc(cc(c1)F)F 34a_100000747503_100000210202 [1,2,0,0,0,0|0,0,1]=4 14728 B11R1.34 CCOc1cc(cc(c1)F)F 7a_100000747503_100000210202 [1,2,0,0,0,0|0,0,1]=4 14729 B11R1.34 CCOc1cc(cc(c1)F)O 271570a_203496583355_100012343907 [1,2,0,0,0,0|0,0,1]=4 14730 B11R1.34 CCOc1cc(cc(c1)I)Br 34a_100010068917_100000210202 [1,2,0,0,0,0|0,0,1]=4 14731 B11R1.34 CCOc1cc(cc(c1)I)Br 7a_100010068917_100000210202 [1,2,0,0,0,0|0,0,1]=4 14732 B11R1.34 CCOc1cc(cc(c1)I)Cl 34a_100010068924_100000210202 [1,2,0,0,0,0|0,0,1]=4 14733 B11R1.34 CCOc1cc(cc(c1)I)Cl 7a_100010068924_100000210202 [1,2,0,0,0,0|0,0,1]=4 14734 B11R1.34 CCOc1cc(cc(c1)I)F 34a_100000717995_100000210202 [1,2,0,0,0,0|0,0,1]=4 14735 B11R1.34 CCOc1cc(cc(c1)I)F 7a_100000717995_100000210202 [1,2,0,0,0,0|0,0,1]=4 14736 B11R1.34 CCOc1cc(cc(c1)N)C 34a_100011995906_100000210202 [1,2,0,0,0,0|0,0,1]=4 14737 B11R1.34 CCOc1cc(cc(c1)N)C 7a_100011995906_100000210202 [1,2,0,0,0,0|0,0,1]=4 14738 B11R1.34 Cc1cc(cc(c1)OCF)Br 34a_100011999630_100015361967 [1,2,0,0,0,0|1,0,0]=4 14739 B11R1.34 Cc1cc(cc(c1)OCF)Br 7a_100011999630_100015361967 [1,2,0,0,0,0|1,0,0]=4 14740 B11R1.34 Cc1cc(cc(c1)OCF)C 34a_100000210933_100015361967 [1,2,0,0,0,0|1,0,0]=4 14741 B11R1.34 Cc1cc(cc(c1)OCF)C 7a_100000210933_100015361967 [1,2,0,0,0,0|1,0,0]=4 14742 B11R1.34 Cc1cc(cc(c1)OCF)Cl 34a_100000087485_100015361967 [1,2,0,0,0,0|1,0,0]=4 14743 B11R1.34 Cc1cc(cc(c1)OCF)Cl 7a_100000087485_100015361967 [1,2,0,0,0,0|1,0,0]=4 14744 B11R1.34 Cc1cc(cc(c1)OCF)F 34a_100011830401_100015361967 [1,2,0,0,0,0|1,0,0]=4 14745 B11R1.34 Cc1cc(cc(c1)OCF)F 7a_100011830401_100015361967 [1,2,0,0,0,0|1,0,0]=4 14746 B11R1.34 Cc1cc(cc(c1)OCF)N 34a_100011995906_100015361967 [1,2,0,0,0,0|1,0,0]=4 14747 B11R1.34 Cc1cc(cc(c1)OCF)N 7a_100011995906_100015361967 [1,2,0,0,0,0|1,0,0]=4 14748 B11R1.34 FCOc1cc(cc(c1)Br)Br 34a_100010167048_100015361967 [1,2,0,0,0,0|1,0,0]=4 14749 B11R1.34 FCOc1cc(cc(c1)Br)Br 7a_100010167048_100015361967 [1,2,0,0,0,0|1,0,0]=4 14750 B11R1.34 FCOc1cc(cc(c1)Br)Cl 34a_100010185897_100015361967 [1,2,0,0,0,0|1,0,0]=4 14751 B11R1.34 FCOc1cc(cc(c1)Br)Cl 7a_100010185897_100015361967 [1,2,0,0,0,0|1,0,0]=4 14752 B11R1.34 FCOc1cc(cc(c1)Br)F 34a_100000688818_100015361967 [1,2,0,0,0,0|1,0,0]=4 14753 B11R1.34 FCOc1cc(cc(c1)Br)F 7a_100000688818_100015361967 [1,2,0,0,0,0|1,0,0]=4 14754 B11R1.34 FCOc1cc(cc(c1)Cl)Cl 34a_100000181315_100015361967 [1,2,0,0,0,0|1,0,0]=4 14755 B11R1.34 FCOc1cc(cc(c1)Cl)Cl 7a_100000181315_100015361967 [1,2,0,0,0,0|1,0,0]=4 14756 B11R1.34 FCOc1cc(cc(c1)Cl)F 34a_100011219751_100015361967 [1,2,0,0,0,0|1,0,0]=4 14757 B11R1.34 FCOc1cc(cc(c1)Cl)F 7a_100011219751_100015361967 [1,2,0,0,0,0|1,0,0]=4 14758 B11R1.34 FCOc1cc(cc(c1)F)F 34a_100000747503_100015361967 [1,2,0,0,0,0|1,0,0]=4 14759 B11R1.34 FCOc1cc(cc(c1)F)F 7a_100000747503_100015361967 [1,2,0,0,0,0|1,0,0]=4 14760 B11R1.34 FCOc1cc(cc(c1)I)Br 34a_100010068917_100015361967 [1,2,0,0,0,0|1,0,0]=4 14761 B11R1.34 FCOc1cc(cc(c1)I)Br 7a_100010068917_100015361967 [1,2,0,0,0,0|1,0,0]=4 14762 B11R1.34 FCOc1cc(cc(c1)I)Cl 34a_100010068924_100015361967 [1,2,0,0,0,0|1,0,0]=4 14763 B11R1.34 FCOc1cc(cc(c1)I)Cl 7a_100010068924_100015361967 [1,2,0,0,0,0|1,0,0]=4 14764 B11R1.34 FCOc1cc(cc(c1)I)F 34a_100000717995_100015361967 [1,2,0,0,0,0|1,0,0]=4 14765 B11R1.34 FCOc1cc(cc(c1)I)F 7a_100000717995_100015361967 [1,2,0,0,0,0|1,0,0]=4 14766 B11R1.34 Nc1cc(cc(c1)OCF)Cl 34a_100000123917_100015361967 [1,2,0,0,0,0|1,0,0]=4 14767 B11R1.34 Nc1cc(cc(c1)OCF)Cl 7a_100000123917_100015361967 [1,2,0,0,0,0|1,0,0]=4 14768 B11R1.157 CC(=O)Cc1cccc(c1)Br 1458a_100000070787_100000211773 [1,2,0,0,0,0|0,0,1]=4 14769 B11R1.157 CC(=O)Cc1cccc(c1)Br 1458a_100000747190_200000210301 [1,2,0,0,0,0|0,0,1]=4 14770 B11R1.157 CC(=O)Cc1cccc(c1)C 1458a_100000070787_100000211840 [1,2,0,0,0,0|0,0,1]=4 14771 B11R1.157 CC(=O)Cc1cccc(c1)C 1458a_100011206899_200000210301 [1,2,0,0,0,0|0,0,1]=4 14772 B11R1.157 CC(=O)Cc1cccc(c1)Cl 1458a_100000070787_100000181238 [1,2,0,0,0,0|0,0,1]=4 14773 B11R1.157 CC(=O)Cc1cccc(c1)Cl 1458a_100000749307_200000210301 [1,2,0,0,0,0|0,0,1]=4 14774 B11R1.157 CC(=O)Cc1cccc(c1)F 1458a_100000070787_100000230114 [1,2,0,0,0,0|0,0,1]=4 14775 B11R1.157 CC(=O)Cc1cccc(c1)F 1458a_100000211661_200000210301 [1,2,0,0,0,0|0,0,1]=4 14776 B11R1.157 CC(=O)Cc1cccc(c1)I 1458a_100000070787_100011218688 [1,2,0,0,0,0|0,0,1]=4 14777 B11R1.157 CC(=O)Cc1cccc(c1)I 1458a_100000238430_200000210301 [1,2,0,0,0,0|0,0,1]=4 14778 B11R1.157 CC(=O)Cc1cccc(c1)O 1458a_100000070787_100011660834 [1,2,0,0,0,0|0,0,1]=4 14779 B11R1.157 CC(=O)Cc1cccc(c1)O 1458a_100000745134_200000210301 [1,2,0,0,0,0|0,0,1]=4 14780 B11R1.157 CC(=O)Cc1cccc(c1)O 271570a_203496583355_100000689217 [1,2,0,0,0,0|0,0,1]=4 14781 B11R1.157 CC(=O)Oc1cccc(c1)O 271570a_203496583355_100009811612 [1,2,0,0,0,0|0,0,1]=4 14782 B11R1.157 CC(C)Oc1cccc(c1)Br 34a_100000210342_100000210206 [1,2,0,0,0,0|0,0,1]=4 14783 B11R1.157 CC(C)Oc1cccc(c1)Br 7a_100000210342_100000210206 [1,2,0,0,0,0|0,0,1]=4 14784 B11R1.157 CC(C)Oc1cccc(c1)Cl 34a_100000210295_100000210206 [1,2,0,0,0,0|0,0,1]=4 14785 B11R1.157 CC(C)Oc1cccc(c1)Cl 7a_100000210295_100000210206 [1,2,0,0,0,0|0,0,1]=4 14786 B11R1.157 CC(C)Oc1cccc(c1)F 34a_100000210426_100000210206 [1,2,0,0,0,0|0,0,1]=4 14787 B11R1.157 CC(C)Oc1cccc(c1)F 7a_100000210426_100000210206 [1,2,0,0,0,0|0,0,1]=4 14788 B11R1.157 CC(C)Oc1cccc(c1)I 34a_100000211634_100000210206 [1,2,0,0,0,0|0,0,1]=4 14789 B11R1.157 CC(C)Oc1cccc(c1)I 7a_100000211634_100000210206 [1,2,0,0,0,0|0,0,1]=4 14790 B11R1.157 CC(C)Oc1cccc(c1)N 34a_100000210217_100000210206 [1,2,0,0,0,0|0,0,1]=4 14791 B11R1.157 CC(C)Oc1cccc(c1)O 271570a_203496583355_100000170003 [1,2,0,0,0,0|0,0,1]=4 14792 B11R1.157 Cc1cccc(c1)CC(=O)[13CH3] 1458a_100011206899_200025704644 [1,2,0,0,0,0|0,0,1]=4 14793 B11R1.157 Cc1cccc(c1)OC(C)C 34a_100000210337_100000210206 [1,2,0,0,0,0|0,0,1]=4 14794 B11R1.157 Cc1cccc(c1)OC(C)C 7a_100000210337_100000210206 [1,2,0,0,0,0|0,0,1]=4 14795 B11R1.157 NC(=O)Cc1cccc(c1)O 271570a_203496583355_100011586816 [1,2,0,0,0,0|1,0,0]=4 14796 B11R1.157 Oc1cccc(c1)OC(F)F 271570a_203496583355_100000179092 [1,2,0,0,0,0|1,0,0]=4 14797 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)Br 1458a_100000747190_200025704644 [1,2,0,0,0,0|0,0,1]=4 14798 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)Cl 1458a_100000749307_200025704644 [1,2,0,0,0,0|0,0,1]=4 14799 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)F 1458a_100000211661_200025704644 [1,2,0,0,0,0|0,0,1]=4 14800 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)I 1458a_100000238430_200025704644 [1,2,0,0,0,0|0,0,1]=4 14801 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)O 1458a_100000745134_200025704644 [1,2,0,0,0,0|0,0,1]=4 14802 B11R1.189 C#Cc1cccc(c1)OCC 34a_100011216014_100000210202 [1,2,0,0,0,0|0,0,1]=4 14803 B11R1.189 C#Cc1cccc(c1)OCC 7a_100011216014_100000210202 [1,2,0,0,0,0|0,0,1]=4 14804 B11R1.189 C#Cc1cccc(c1)OCF 34a_100011216014_100015361967 [1,2,0,0,0,0|1,0,0]=4 14805 B11R1.189 C#Cc1cccc(c1)OCF 7a_100011216014_100015361967 [1,2,0,0,0,0|1,0,0]=4 14806 B11R1.189 C=CCc1cccc(c1)C=C 271570a_100011290941_100009816576 [1,2,0,0,0,0|0,0,0]=3 14807 B11R1.189 C=CCc1cccc(c1)SC 62a_100009816576_200000210301 [1,2,0,0,0,0|0,0,0]=3 14808 B11R1.189 C=CCc1cccc(c1)SC 62a_200000210301_100009816576 [1,2,0,0,0,0|0,0,0]=3 14809 B11R1.189 C=CCc1cccc(c1)S[13CH3] 62a_100009816576_200025704644 [1,2,0,0,0,0|0,0,0]=3 14810 B11R1.189 C=CCc1cccc(c1)S[13CH3] 62a_200025704644_100009816576 [1,2,0,0,0,0|0,0,0]=3 14811 B11R1.189 C=Cc1cccc(c1)CC=O 271570a_100011290941_200000698211 [1,2,0,0,0,0|1,0,0]=4 14812 B11R1.189 C=Cc1cccc(c1)OCC 271570a_100011290941_100000170002 [1,2,0,0,0,0|0,0,1]=4 14813 B11R1.189 C=Cc1cccc(c1)OCC 34a_100011309434_100000210202 [1,2,0,0,0,0|0,0,1]=4 14814 B11R1.189 C=Cc1cccc(c1)OCC 7a_100011309434_100000210202 [1,2,0,0,0,0|0,0,1]=4 14815 B11R1.189 C=Cc1cccc(c1)OCF 34a_100011309434_100015361967 [1,2,0,0,0,0|1,0,0]=4 14816 B11R1.189 C=Cc1cccc(c1)OCF 7a_100011309434_100015361967 [1,2,0,0,0,0|1,0,0]=4 14817 B11R1.189 CCOc1cccc(c1)C#N 34a_100000184713_100000210202 [1,2,0,0,0,0|0,0,1]=4 14818 B11R1.189 CCOc1cccc(c1)C#N 7a_100000184713_100000210202 [1,2,0,0,0,0|0,0,1]=4 14819 B11R1.189 CCOc1cccc(c1)CBr 34a_100011660834_100000210202 [1,2,0,0,0,0|0,0,1]=4 14820 B11R1.189 CCOc1cccc(c1)CBr 7a_100011660834_100000210202 [1,2,0,0,0,0|0,0,1]=4 14821 B11R1.189 CCOc1cccc(c1)CC 34a_100000211550_100000210202 [1,2,0,0,0,0|0,0,1]=4 14822 B11R1.189 CCOc1cccc(c1)CC 7a_100000211550_100000210202 [1,2,0,0,0,0|0,0,1]=4 14823 B11R1.189 CCOc1cccc(c1)CCl 34a_100000084143_100000210202 [1,2,0,0,0,0|0,0,1]=4 14824 B11R1.189 CCOc1cccc(c1)CCl 7a_100000084143_100000210202 [1,2,0,0,0,0|0,0,1]=4 14825 B11R1.189 CCOc1cccc(c1)CN 34a_100000743036_100000210202 [1,2,0,0,0,0|0,0,1]=4 14826 B11R1.189 CCOc1cccc(c1)CO 34a_100011214949_100000210202 [1,2,0,0,0,0|0,0,1]=4 14827 B11R1.189 CCOc1cccc(c1)CO 7a_100011214949_100000210202 [1,2,0,0,0,0|0,0,1]=4 14828 B11R1.189 CCOc1cccc(c1)NC 2230a_100000742568_200000210301 [1,2,0,0,0,0|0,0,1]=4 14829 B11R1.189 CCOc1cccc(c1)NC 34a_100000742568_200000210301 [1,2,0,0,0,0|0,0,1]=4 14830 B11R1.189 CCOc1cccc(c1)NC 34a_100000756613_100000210202 [1,2,0,0,0,0|0,0,1]=4 14831 B11R1.189 CCOc1cccc(c1)NC 7a_100000756613_100000210202 [1,2,0,0,0,0|0,0,1]=4 14832 B11R1.189 CCOc1cccc(c1)N[13CH3] 2230a_100000742568_200025704644 [1,2,0,0,0,0|0,0,1]=4 14833 B11R1.189 CCOc1cccc(c1)N[13CH3] 34a_100000742568_200025704644 [1,2,0,0,0,0|0,0,1]=4 14834 B11R1.189 CCOc1cccc(c1)OC 34a_100000211255_100000210202 [1,2,0,0,0,0|0,0,1]=4 14835 B11R1.189 CCOc1cccc(c1)OC 34a_100011215941_200000210301 [1,2,0,0,0,0|0,0,1]=4 14836 B11R1.189 CCOc1cccc(c1)OC 7a_100000211255_100000210202 [1,2,0,0,0,0|0,0,1]=4 14837 B11R1.189 CCOc1cccc(c1)OC 7a_100011215941_200000210301 [1,2,0,0,0,0|0,0,1]=4 14838 B11R1.189 CCOc1cccc(c1)O[13CH3] 34a_100011215941_200025704644 [1,2,0,0,0,0|0,0,1]=4 14839 B11R1.189 CCOc1cccc(c1)O[13CH3] 7a_100011215941_200025704644 [1,2,0,0,0,0|0,0,1]=4 14840 B11R1.189 CCOc1cccc(c1)SC 34a_100011265683_100000210202 [1,2,0,0,0,0|0,0,1]=4 14841 B11R1.189 CCOc1cccc(c1)SC 62a_200000210301_100000170002 [1,2,0,0,0,0|0,0,1]=4 14842 B11R1.189 CCOc1cccc(c1)SC 7a_100011265683_100000210202 [1,2,0,0,0,0|0,0,1]=4 14843 B11R1.189 CCOc1cccc(c1)S[13CH3] 62a_200025704644_100000170002 [1,2,0,0,0,0|0,0,1]=4 14844 B11R1.189 CCc1cccc(c1)OCF 34a_100000211550_100015361967 [1,2,0,0,0,0|1,0,0]=4 14845 B11R1.189 CCc1cccc(c1)OCF 7a_100000211550_100015361967 [1,2,0,0,0,0|1,0,0]=4 14846 B11R1.189 CNc1cccc(c1)OCF 34a_100000756613_100015361967 [1,2,0,0,0,0|1,0,0]=4 14847 B11R1.189 CNc1cccc(c1)OCF 7a_100000756613_100015361967 [1,2,0,0,0,0|1,0,0]=4 14848 B11R1.189 COc1cccc(c1)OCF 34a_100000211255_100015361967 [1,2,0,0,0,0|1,0,0]=4 14849 B11R1.189 COc1cccc(c1)OCF 7a_100000211255_100015361967 [1,2,0,0,0,0|1,0,0]=4 14850 B11R1.189 CSc1cccc(c1)CC=O 62a_200000210301_200000698211 [1,2,0,0,0,0|1,0,0]=4 14851 B11R1.189 CSc1cccc(c1)CC=O 62a_200000698211_200000210301 [1,2,0,0,0,0|1,0,0]=4 14852 B11R1.189 CSc1cccc(c1)OCF 34a_100011265683_100015361967 [1,2,0,0,0,0|1,0,0]=4 14853 B11R1.189 CSc1cccc(c1)OCF 7a_100011265683_100015361967 [1,2,0,0,0,0|1,0,0]=4 14854 B11R1.189 FCOc1cccc(c1)CBr 34a_100011660834_100015361967 [1,2,0,0,0,0|1,0,0]=4 14855 B11R1.189 FCOc1cccc(c1)CBr 7a_100011660834_100015361967 [1,2,0,0,0,0|1,0,0]=4 14856 B11R1.189 FCOc1cccc(c1)CCl 34a_100000084143_100015361967 [1,2,0,0,0,0|1,0,0]=4 14857 B11R1.189 FCOc1cccc(c1)CCl 7a_100000084143_100015361967 [1,2,0,0,0,0|1,0,0]=4 14858 B11R1.189 N#Cc1cccc(c1)OCF 34a_100000184713_100015361967 [1,2,0,0,0,0|1,0,0]=4 14859 B11R1.189 N#Cc1cccc(c1)OCF 7a_100000184713_100015361967 [1,2,0,0,0,0|1,0,0]=4 14860 B11R1.189 NCc1cccc(c1)OCF 34a_100000743036_100015361967 [1,2,0,0,0,0|1,0,0]=4 14861 B11R1.189 OCc1cccc(c1)OCF 34a_100011214949_100015361967 [1,2,0,0,0,0|1,0,0]=4 14862 B11R1.189 OCc1cccc(c1)OCF 7a_100011214949_100015361967 [1,2,0,0,0,0|1,0,0]=4 14863 B11R1.189 [13CH3]Sc1cccc(c1)CC=O 62a_200000698211_200025704644 [1,2,0,0,0,0|1,0,0]=4 14864 B11R1.189 [13CH3]Sc1cccc(c1)CC=O 62a_200025704644_200000698211 [1,2,0,0,0,0|1,0,0]=4 14865 B11R1.12 C=CC(NC)c1ccccc1 2230a_106832991635_200000085779 [1,2,0,0,0,0|0,0,0]=3 14866 B11R1.12 C=CC(OC)c1ccccc1 34a_100011215659_200000210301 [1,2,0,0,0,0|0,0,0]=3 14867 B11R1.12 C=CC(OC)c1ccccc1 7a_100011215659_200000210301 [1,2,0,0,0,0|0,0,0]=3 14868 B11R1.12 C=CC(O[13CH3])c1ccccc1 34a_100011215659_200025704644 [1,2,0,0,0,0|0,0,0]=3 14869 B11R1.12 C=CC(O[13CH3])c1ccccc1 7a_100011215659_200025704644 [1,2,0,0,0,0|0,0,0]=3 14870 B11R1.12 C=CC(SC)c1ccccc1 62a_200000085779_200000210301 [1,2,0,0,0,0|0,0,0]=3 14871 B11R1.12 C=CC(SC)c1ccccc1 62a_200000210301_200000085779 [1,2,0,0,0,0|0,0,0]=3 14872 B11R1.12 C=CC(S[13CH3])c1ccccc1 62a_200000085779_200025704644 [1,2,0,0,0,0|0,0,0]=3 14873 B11R1.12 C=CC(S[13CH3])c1ccccc1 62a_200025704644_200000085779 [1,2,0,0,0,0|0,0,0]=3 14874 B11R1.36 CC(=O)C(C)c1ccccc1 1458a_100000070787_100000230085 [1,2,0,0,0,0|0,0,1]=4 14875 B11R1.36 CC(=O)C(F)c1ccccc1 1458a_100000698975_200000210301 [1,2,0,0,0,0|0,0,1]=4 14876 B11R1.36 CC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_200000210301 [1,2,0,0,0,0|0,0,1]=4 14877 B11R1.36 CC(=O)[C@H](O)c1ccccc1 1458a_100000684486_200000210301 [1,2,0,0,0,0|0,0,1]=4 14878 B11R1.36 C[C@H](C(=O)[13CH3])c1ccccc1 1458a_100000751047_200025704644 [1,2,0,0,0,0|0,0,1]=4 14879 B11R1.36 [13CH3]C(=O)C(F)c1ccccc1 1458a_100000698975_200025704644 [1,2,0,0,0,0|0,0,1]=4 14880 B11R1.36 [13CH3]C(=O)[C@H](O)c1ccccc1 1458a_100000684486_200025704644 [1,2,0,0,0,0|0,0,1]=4 14881 B11R1.509 CC(C)(C)Oc1ccccc1 34a_100000210340_100000210625 [1,2,0,0,0,0|0,0,1]=4 14882 B11R1.509 FC(F)(F)Oc1ccccc1 34a_100000210340_200103152311 [1,2,0,0,0,0|1,0,0]=4 14883 B11R1.509 FC(F)(F)Oc1ccccc1 7a_100000210340_200000243211 [1,2,0,0,0,0|1,0,0]=4 14884 B11R1.29 C=CCOC(C)c1ccsc1 34a_100011350980_100015514636 [0,2,0,0,1,0|1,0,0]=4 14885 B11R1.29 C=CCOC(C)c1ccsc1 7a_100011350980_100015514636 [0,2,0,0,1,0|1,0,0]=4 14886 B11R1.29 C=CCO[C@@H](C)c1ccco1 34a_100000755270_100015514636 [0,2,0,0,1,0|1,0,0]=4 14887 B11R1.29 C=CCO[C@@H](C)c1ccco1 7a_100000755270_100015514636 [0,2,0,0,1,0|1,0,0]=4 14888 B11R1.29 C=CCO[C@H](C)c1cccs1 7a_100000750433_100015514636 [0,2,0,0,1,0|1,0,0]=4 14889 B11R1.27 C=CCOCc1cc(cs1)Br 34a_100000238369_100015514636 [0,2,0,0,1,0|1,0,0]=4 14890 B11R1.27 C=CCOCc1cc(cs1)Br 34a_200000210373_100000746031 [0,2,0,0,1,0|1,0,0]=4 14891 B11R1.27 C=CCOCc1cc(cs1)Br 7a_100000238369_100015514636 [0,2,0,0,1,0|1,0,0]=4 14892 B11R1.27 C=CCOCc1cc(cs1)C 34a_200000068372_100015514636 [0,2,0,0,1,0|1,0,0]=4 14893 B11R1.27 C=CCOCc1cc(cs1)C 7a_200000068372_100015514636 [0,2,0,0,1,0|1,0,0]=4 14894 B11R1.27 C=CCOCc1ccc(o1)Br 34a_100000246276_100015514636 [0,2,0,0,1,0|1,0,0]=4 14895 B11R1.27 C=CCOCc1ccc(o1)Br 7a_100000246276_100015514636 [0,2,0,0,1,0|1,0,0]=4 14896 B11R1.27 C=CCOCc1ccc(o1)C 34a_100011232665_100015514636 [0,2,0,0,1,0|1,0,0]=4 14897 B11R1.27 C=CCOCc1ccc(o1)C 7a_100011232665_100015514636 [0,2,0,0,1,0|1,0,0]=4 14898 B11R1.27 C=CCOCc1ccc(s1)Br 34a_200000210373_100000708592 [0,2,0,0,1,0|1,0,0]=4 14899 B11R1.27 C=CCOCc1ccc(s1)C 34a_100000238367_100015514636 [0,2,0,0,1,0|1,0,0]=4 14900 B11R1.27 C=CCOCc1ccc(s1)Cl 34a_200000210373_100000185097 [0,2,0,0,1,0|1,0,0]=4 14901 B11R1.27 C=CCOCc1csc(c1)Cl 34a_100009863405_100015514636 [0,2,0,0,1,0|1,0,0]=4 14902 B11R1.27 C=CCOCc1csc(c1)Cl 7a_100009863405_100015514636 [0,2,0,0,1,0|1,0,0]=4 14903 B11R1.4 C/C=C/COCc1ccco1 34a_100000210059_100102629194 [0,2,0,0,1,0|1,0,0]=4 14904 B11R1.4 C/C=C/COCc1cccs1 34a_100000211240_100102629194 [0,2,0,0,1,0|1,0,0]=4 14905 B11R1.4 C/C=C/COCc1ccoc1 34a_100011215357_100102629194 [0,2,0,0,1,0|1,0,0]=4 14906 B11R1.4 C/C=C/COCc1ccsc1 34a_100011215551_100102629194 [0,2,0,0,1,0|1,0,0]=4 14907 B11R1.4 C/C=C/COCc1ccsc1 34a_100016270725_100011261437 [0,2,0,0,1,0|1,0,0]=4 14908 B11R1.4 C=CCCCOc1ccsc1 34a_100000106738_100000757094 [0,2,0,0,1,0|1,0,0]=4 14909 B11R1.4 C=CCCCOc1ccsc1 7a_100000106738_100000757094 [0,2,0,0,1,0|1,0,0]=4 14910 B11R1.4 C=CCCOCc1ccco1 34a_100000210059_100000754431 [0,2,0,0,1,0|1,0,0]=4 14911 B11R1.4 C=CCCOCc1cccs1 34a_100000211240_100000754431 [0,2,0,0,1,0|1,0,0]=4 14912 B11R1.4 C=CCCOCc1ccoc1 34a_100011215357_100000754431 [0,2,0,0,1,0|1,0,0]=4 14913 B11R1.4 C=CCCOCc1ccsc1 34a_100011205117_100011261437 [0,2,0,0,1,0|1,0,0]=4 14914 B11R1.4 C=CCCOCc1ccsc1 34a_100011215551_100000754431 [0,2,0,0,1,0|1,0,0]=4 14915 B11R1.4 C=CCOCCc1cccs1 34a_100011216825_100015514636 [0,2,0,0,1,0|1,0,0]=4 14916 B11R1.4 C=CCOCCc1cccs1 34a_200000210373_100000748579 [0,2,0,0,1,0|1,0,0]=4 14917 B11R1.4 C=CCOCCc1cccs1 7a_100011216825_100015514636 [0,2,0,0,1,0|1,0,0]=4 14918 B11R1.4 C=CCOCCc1ccsc1 34a_100000748821_100015514636 [0,2,0,0,1,0|1,0,0]=4 14919 B11R1.4 C=CCOCCn1cccc1 34a_100000179382_100015514636 [0,2,0,0,1,0|1,0,0]=4 14920 B11R1.4 C=COCCOc1ccsc1 34a_100000106738_100000039644 [0,2,0,0,1,0|1,0,0]=4 14921 B11R1.4 C=COCCOc1ccsc1 7a_100000106738_100000039644 [0,2,0,0,1,0|1,0,0]=4 14922 B11R1.4 CC/C=C\COc1ccsc1 34a_100000106738_100103147603 [0,2,0,0,1,0|1,0,0]=4 14923 B11R1.4 CC/C=C\COc1ccsc1 7a_100000106738_100103147603 [0,2,0,0,1,0|1,0,0]=4 14924 B11R1.4 CC=CCOCc1ccco1 34a_100000210059_100000070051 [0,2,0,0,1,0|1,0,0]=4 14925 B11R1.4 CC=CCOCc1cccs1 34a_100000211240_100000070051 [0,2,0,0,1,0|1,0,0]=4 14926 B11R1.4 CC=CCOCc1ccoc1 34a_100011215357_100000070051 [0,2,0,0,1,0|1,0,0]=4 14927 B11R1.4 CC=CCOCc1ccsc1 34a_100011215551_100000070051 [0,2,0,0,1,0|1,0,0]=4 14928 B11R1.25 C=C(C#N)COc1ccsc1 34a_100000106738_100000694840 [0,2,0,0,1,0|1,0,0]=4 14929 B11R1.25 C=CC(C)OCc1ccsc1 34a_100000695699_100011261437 [0,2,0,0,1,0|1,0,0]=4 14930 B11R1.25 C=CC(O)COc1ccsc1 34a_100000106738_100000730141 [0,2,0,0,1,0|1,0,0]=4 14931 B11R1.25 C=CC(O)COc1ccsc1 7a_100000106738_100000730141 [0,2,0,0,1,0|1,0,0]=4 14932 B11R1.172 C=C(C)CCOc1ccsc1 34a_100000106738_100000730704 [0,2,0,0,1,0|1,0,0]=4 14933 B11R1.172 C=C(C)CCOc1ccsc1 7a_100000106738_100000730704 [0,2,0,0,1,0|1,0,0]=4 14934 B11R1.172 C=C(C)COCc1ccco1 34a_100000210059_100000748629 [0,2,0,0,1,0|1,0,0]=4 14935 B11R1.172 C=C(C)COCc1cccs1 34a_100000211240_100000748629 [0,2,0,0,1,0|1,0,0]=4 14936 B11R1.172 C=C(C)COCc1ccoc1 34a_100011215357_100000748629 [0,2,0,0,1,0|1,0,0]=4 14937 B11R1.172 C=C(C)COCc1ccsc1 34a_100000210245_100011261437 [0,2,0,0,1,0|1,0,0]=4 14938 B11R1.172 C=C(C)COCc1ccsc1 34a_100011215551_100000748629 [0,2,0,0,1,0|1,0,0]=4 14939 B11R1.172 C=C(F)COCc1ccco1 34a_100000210059_100009893438 [0,2,0,0,1,0|1,0,0]=4 14940 B11R1.172 C=C(F)COCc1cccs1 34a_100000211240_100009893438 [0,2,0,0,1,0|1,0,0]=4 14941 B11R1.172 C=C(F)COCc1ccoc1 34a_100011215357_100009893438 [0,2,0,0,1,0|1,0,0]=4 14942 B11R1.172 C=C(F)COCc1ccsc1 34a_100011215551_100009893438 [0,2,0,0,1,0|1,0,0]=4 14943 B11R1.172 C=C(F)COCc1ccsc1 34a_200010262243_100011261437 [0,2,0,0,1,0|1,0,0]=4 14944 B11R1.172 CC(=CCOc1ccsc1)C 34a_100000106738_100000761012 [0,2,0,0,1,0|1,0,0]=4 14945 B11R1.172 CC(=CCOc1ccsc1)C 7a_100000106738_100000761012 [0,2,0,0,1,0|1,0,0]=4 14946 B11R1.180 C=CCOCc1ccoc1C 34a_100011219433_100015514636 [0,2,0,0,1,0|1,0,0]=4 14947 B11R1.180 C=CCOCc1ccoc1C 7a_100011219433_100015514636 [0,2,0,0,1,0|1,0,0]=4 14948 B11R1.180 C=CCOCc1ccsc1Br 34a_100009816922_100015514636 [0,2,0,0,1,0|1,0,0]=4 14949 B11R1.180 C=CCOCc1ccsc1Br 34a_200000210373_100009814289 [0,2,0,0,1,0|1,0,0]=4 14950 B11R1.180 C=CCOCc1ccsc1Br 7a_100009816922_100015514636 [0,2,0,0,1,0|1,0,0]=4 14951 B11R1.180 C=CCOCc1ccsc1Cl 34a_200000210373_100010167017 [0,2,0,0,1,0|1,0,0]=4 14952 B11R1.180 C=CCOCc1cscc1Br 34a_100000724555_100015514636 [0,2,0,0,1,0|1,0,0]=4 14953 B11R1.180 C=CCOCc1occc1C 34a_100011273948_100015514636 [0,2,0,0,1,0|1,0,0]=4 14954 B11R1.180 C=CCOCc1occc1C 7a_100011273948_100015514636 [0,2,0,0,1,0|1,0,0]=4 14955 B11R1.180 C=CCOCc1sccc1Br 34a_100000702026_100015514636 [0,2,0,0,1,0|1,0,0]=4 14956 B11R1.180 C=CCOCc1sccc1C 34a_100000238368_100015514636 [0,2,0,0,1,0|1,0,0]=4 14957 B11R1.180 C=CCOCc1sccc1C 7a_100000238368_100015514636 [0,2,0,0,1,0|1,0,0]=4 14958 B11R1.180 C=CCOCc1sccc1Cl 34a_100000722387_100015514636 [0,2,0,0,1,0|1,0,0]=4 14959 B11R1.180 C=CCOCc1sccc1Cl 7a_100000722387_100015514636 [0,2,0,0,1,0|1,0,0]=4 14960 B13R1.34 C/C=C/COc1cccccc1=O 34a_100000036025_100102629194 [0,2,0,0,0,1|0,0,0]=3 14961 B13R1.34 C/C=C/COc1cccccc1=O 7a_100000036025_100102629194 [0,2,0,0,0,1|0,0,0]=3 14962 B13R1.34 C=CCCOc1cccccc1=O 34a_100000036025_100000754431 [0,2,0,0,0,1|0,0,0]=3 14963 B13R1.34 C=CCCOc1cccccc1=O 7a_100000036025_100000754431 [0,2,0,0,0,1|0,0,0]=3 14964 B13R1.34 CC=CCOc1cccccc1=O 34a_100000036025_100000070051 [0,2,0,0,0,1|0,0,0]=3 14965 B13R1.34 CC=CCOc1cccccc1=O 7a_100000036025_100000070051 [0,2,0,0,0,1|0,0,0]=3 14966 B13R1.280 C=C(C)COc1cccccc1=O 34a_100000036025_100000748629 [0,2,0,0,0,1|0,0,0]=3 14967 B13R1.280 C=C(C)COc1cccccc1=O 7a_100000036025_100000748629 [0,2,0,0,0,1|0,0,0]=3 14968 B13R1.280 C=C(F)COc1cccccc1=O 34a_100000036025_100009893438 [0,2,0,0,0,1|0,0,0]=3 14969 B13R1.280 C=C(F)COc1cccccc1=O 7a_100000036025_100000042424 [0,2,0,0,0,1|0,0,0]=3 14970 B13R1.280 NC(=O)COc1cccccc1=O 34a_100000036025_100000187820 [0,2,0,0,0,1|1,0,0]=4 14971 B13R1.280 NC(=O)COc1cccccc1=O 7a_100000036025_100000187820 [0,2,0,0,0,1|1,0,0]=4 14972 B13R1.280 O=C([O-])COc1cccccc1=O 34a_100000036025_100020667443 [0,2,0,0,0,1|1,0,0]=4 14973 B13R1.9 C/C=C/CNCc1ccc(cc1)Br 34a_100000174875_100102629194 [0,3,0,0,0,0|1,0,0]=4 14974 B13R1.9 C/C=C/CNCc1ccc(cc1)C 34a_100000174908_100102629194 [0,3,0,0,0,0|1,0,0]=4 14975 B13R1.9 C/C=C/CNCc1ccc(cc1)Cl 34a_100000174871_100102629194 [0,3,0,0,0,0|1,0,0]=4 14976 B13R1.9 C/C=C/CNCc1ccc(cc1)F 34a_100000174882_100102629194 [0,3,0,0,0,0|1,0,0]=4 14977 B13R1.9 C/C=C/CNCc1ccc(cc1)I 34a_100016989417_100102629194 [0,3,0,0,0,0|1,0,0]=4 14978 B13R1.9 C/C=C/CNCc1ccc(cc1)O 34a_100000185549_100102629194 [0,3,0,0,0,0|1,0,0]=4 14979 B13R1.9 C/C=C/COCc1cc[n+](cc1)C 34a_100009831711_100102629194 [0,3,0,0,0,0|1,0,0]=4 14980 B13R1.9 C/C=C/COCc1cc[n+](cc1)[O-] 34a_100000031831_100102629194 [0,3,0,0,0,0|1,0,0]=4 14981 B13R1.9 C/C=C/COCc1cc[n+](cc1)[O-] 7a_100000031831_100102629194 [0,3,0,0,0,0|1,0,0]=4 14982 B13R1.9 C/C=C/COCc1ccc(=O)[nH]c1 34a_100011999846_100102629194 [0,3,0,0,0,0|1,0,0]=4 14983 B13R1.9 C/C=C/COCc1ccc(cc1)Br 34a_100000695286_100102629194 [0,3,0,0,0,0|0,0,0]=3 14984 B13R1.9 C/C=C/COCc1ccc(cc1)Br 34a_100016270725_100000189115 [0,3,0,0,0,0|0,0,0]=3 14985 B13R1.9 C/C=C/COCc1ccc(cc1)C 34a_100011215236_100102629194 [0,3,0,0,0,0|0,0,0]=3 14986 B13R1.9 C/C=C/COCc1ccc(cc1)C 34a_100016270725_100000210814 [0,3,0,0,0,0|0,0,0]=3 14987 B13R1.9 C/C=C/COCc1ccc(cc1)C 7a_100011215236_100102629194 [0,3,0,0,0,0|0,0,0]=3 14988 B13R1.9 C/C=C/COCc1ccc(cc1)Cl 34a_100000211118_100102629194 [0,3,0,0,0,0|0,0,0]=3 14989 B13R1.9 C/C=C/COCc1ccc(cc1)Cl 34a_100016270725_100000694040 [0,3,0,0,0,0|0,0,0]=3 14990 B13R1.9 C/C=C/COCc1ccc(cc1)Cl 7a_100000211118_100102629194 [0,3,0,0,0,0|0,0,0]=3 14991 B13R1.9 C/C=C/COCc1ccc(cc1)F 34a_100000210977_100102629194 [0,3,0,0,0,0|0,0,0]=3 14992 B13R1.9 C/C=C/COCc1ccc(cc1)F 34a_100016270725_100000198546 [0,3,0,0,0,0|0,0,0]=3 14993 B13R1.9 C/C=C/COCc1ccc(cc1)F 7a_100000210977_100102629194 [0,3,0,0,0,0|0,0,0]=3 14994 B13R1.9 C/C=C/COCc1ccc(cc1)I 34a_100000690907_100102629194 [0,3,0,0,0,0|0,0,0]=3 14995 B13R1.9 C/C=C/COCc1ccc(cc1)I 34a_100016270725_100000189116 [0,3,0,0,0,0|0,0,0]=3 14996 B13R1.9 C/C=C/COCc1ccc(cc1)I 7a_100000690907_100102629194 [0,3,0,0,0,0|0,0,0]=3 14997 B13R1.9 C/C=C/COCc1ccc(cc1)N 34a_100011215238_100102629194 [0,3,0,0,0,0|0,0,0]=3 14998 B13R1.9 C/C=C/COCc1ccc(cn1)Br 34a_100000754261_100102629194 [0,3,0,0,0,0|1,0,0]=4 14999 B13R1.9 C/C=C/COCc1ccc(cn1)Br 34a_100016270725_100000702658 [0,3,0,0,0,0|1,0,0]=4 15000 B13R1.9 C/C=C/COCc1ccc(cn1)C 34a_100012001401_100102629194 [0,3,0,0,0,0|1,0,0]=4 15001 B13R1.9 C/C=C/COCc1ccc(cn1)C 34a_100016270725_100000691093 [0,3,0,0,0,0|1,0,0]=4 15002 B13R1.9 C/C=C/COCc1ccc(cn1)Cl 34a_100000703999_100102629194 [0,3,0,0,0,0|1,0,0]=4 15003 B13R1.9 C/C=C/COCc1ccc(cn1)Cl 34a_100016270725_100012066911 [0,3,0,0,0,0|1,0,0]=4 15004 B13R1.9 C/C=C/COCc1ccc(cn1)F 34a_100011999454_100102629194 [0,3,0,0,0,0|1,0,0]=4 15005 B13R1.9 C/C=C/COCc1ccc(cn1)F 34a_100016270725_100000703193 [0,3,0,0,0,0|1,0,0]=4 15006 B13R1.9 C/C=C/COCc1ccc(cn1)N 34a_100011998161_100102629194 [0,3,0,0,0,0|1,0,0]=4 15007 B13R1.9 C/C=C/COCc1ccc(nc1)Br 34a_100009816760_100102629194 [0,3,0,0,0,0|1,0,0]=4 15008 B13R1.9 C/C=C/COCc1ccc(nc1)Br 34a_100016270725_100009831999 [0,3,0,0,0,0|1,0,0]=4 15009 B13R1.9 C/C=C/COCc1ccc(nc1)Br 7a_100009816760_100102629194 [0,3,0,0,0,0|1,0,0]=4 15010 B13R1.9 C/C=C/COCc1ccc(nc1)C 34a_100011248133_100102629194 [0,3,0,0,0,0|1,0,0]=4 15011 B13R1.9 C/C=C/COCc1ccc(nc1)C 34a_100016270725_100016987292 [0,3,0,0,0,0|1,0,0]=4 15012 B13R1.9 C/C=C/COCc1ccc(nc1)Cl 34a_100000755211_100102629194 [0,3,0,0,0,0|1,0,0]=4 15013 B13R1.9 C/C=C/COCc1ccc(nc1)Cl 34a_100016270725_100000735431 [0,3,0,0,0,0|1,0,0]=4 15014 B13R1.9 C/C=C/COCc1ccc(nc1)Cl 7a_100000755211_100102629194 [0,3,0,0,0,0|1,0,0]=4 15015 B13R1.9 C/C=C/COCc1ccc(nc1)F 34a_100000079959_100102629194 [0,3,0,0,0,0|1,0,0]=4 15016 B13R1.9 C/C=C/COCc1ccc(nc1)F 34a_100016270725_100000099788 [0,3,0,0,0,0|1,0,0]=4 15017 B13R1.9 C/C=C/COCc1ccc(nc1)N 34a_100000704267_100102629194 [0,3,0,0,0,0|1,0,0]=4 15018 B13R1.9 C/C=C/CSCc1ccc(cc1)Br 62a_100000189115_100102629194 [0,3,0,0,0,0|0,1,0]=4 15019 B13R1.9 C/C=C/CSCc1ccc(cc1)Br 62a_100102629194_100000189115 [0,3,0,0,0,0|0,1,0]=4 15020 B13R1.9 C/C=C/CSCc1ccc(cc1)C 62a_100000210814_100102629194 [0,3,0,0,0,0|0,1,0]=4 15021 B13R1.9 C/C=C/CSCc1ccc(cc1)C 62a_100102629194_100000210814 [0,3,0,0,0,0|0,1,0]=4 15022 B13R1.9 C/C=C/CSCc1ccc(cc1)Cl 62a_100000187161_100102629194 [0,3,0,0,0,0|0,1,0]=4 15023 B13R1.9 C/C=C/CSCc1ccc(cc1)Cl 62a_100102629194_100000187161 [0,3,0,0,0,0|0,1,0]=4 15024 B13R1.9 C/C=C/CSCc1ccc(cc1)F 62a_100000198546_100102629194 [0,3,0,0,0,0|0,1,0]=4 15025 B13R1.9 C/C=C/CSCc1ccc(cc1)F 62a_100102629194_100000187164 [0,3,0,0,0,0|0,1,0]=4 15026 B13R1.9 C/C=C/CSCc1ccc(cc1)I 62a_100000189116_100102629194 [0,3,0,0,0,0|0,1,0]=4 15027 B13R1.9 C/C=C/CSCc1ccc(cc1)I 62a_100102629194_100000189116 [0,3,0,0,0,0|0,1,0]=4 15028 B13R1.9 C=CCCCNc1ccc(cc1)Br 2230a_100000210018_100011713584 [0,3,0,0,0,0|1,0,0]=4 15029 B13R1.9 C=CCCCNc1ccc(cc1)Br 34a_100000210018_100000757094 [0,3,0,0,0,0|1,0,0]=4 15030 B13R1.9 C=CCCCNc1ccc(cc1)C 34a_100000124888_100000757094 [0,3,0,0,0,0|1,0,0]=4 15031 B13R1.9 C=CCCCNc1ccc(cc1)Cl 2230a_100000210052_100011713584 [0,3,0,0,0,0|1,0,0]=4 15032 B13R1.9 C=CCCCNc1ccc(cc1)Cl 34a_100000210052_100000757094 [0,3,0,0,0,0|1,0,0]=4 15033 B13R1.9 C=CCCCNc1ccc(cc1)F 34a_100000185862_100000757094 [0,3,0,0,0,0|1,0,0]=4 15034 B13R1.9 C=CCCCNc1ccc(cc1)I 34a_100000185761_100000757094 [0,3,0,0,0,0|1,0,0]=4 15035 B13R1.9 C=CCCCNc1ccc(cc1)O 34a_100000185829_100000757094 [0,3,0,0,0,0|1,0,0]=4 15036 B13R1.9 C=CCCCOc1ccc(=O)[nH]c1 34a_100000075641_100000757094 [0,3,0,0,0,0|1,0,0]=4 15037 B13R1.9 C=CCCCOc1ccc(cc1)Br 34a_100000185759_100000757094 [0,3,0,0,0,0|0,0,0]=3 15038 B13R1.9 C=CCCCOc1ccc(cc1)Br 7a_100000185759_100000757094 [0,3,0,0,0,0|0,0,0]=3 15039 B13R1.9 C=CCCCOc1ccc(cc1)C 34a_100000210336_100000757094 [0,3,0,0,0,0|0,0,0]=3 15040 B13R1.9 C=CCCCOc1ccc(cc1)C 7a_100000210336_100000757094 [0,3,0,0,0,0|0,0,0]=3 15041 B13R1.9 C=CCCCOc1ccc(cc1)Cl 34a_100000210216_100000757094 [0,3,0,0,0,0|0,0,0]=3 15042 B13R1.9 C=CCCCOc1ccc(cc1)Cl 7a_100000210216_100000757094 [0,3,0,0,0,0|0,0,0]=3 15043 B13R1.9 C=CCCCOc1ccc(cc1)F 34a_100000210339_100000757094 [0,3,0,0,0,0|0,0,0]=3 15044 B13R1.9 C=CCCCOc1ccc(cc1)I 34a_100000212066_100000757094 [0,3,0,0,0,0|0,0,0]=3 15045 B13R1.9 C=CCCCOc1ccc(cc1)I 7a_100000212066_100000757094 [0,3,0,0,0,0|0,0,0]=3 15046 B13R1.9 C=CCCCOc1ccc(cc1)N 34a_100000185829_100000757094 [0,3,0,0,0,0|0,0,0]=3 15047 B13R1.9 C=CCCCOc1ccc(cn1)C 34a_100000759353_100000757094 [0,3,0,0,0,0|1,0,0]=4 15048 B13R1.9 C=CCCCOc1ccc(cn1)Cl 34a_100011215309_100000757094 [0,3,0,0,0,0|1,0,0]=4 15049 B13R1.9 C=CCCCOc1ccc(cn1)F 34a_100000742473_100000757094 [0,3,0,0,0,0|1,0,0]=4 15050 B13R1.9 C=CCCCOc1ccc(cn1)N 34a_100000729260_100000757094 [0,3,0,0,0,0|1,0,0]=4 15051 B13R1.9 C=CCCCOc1ccc(nc1)Br 34a_100000685995_100000757094 [0,3,0,0,0,0|1,0,0]=4 15052 B13R1.9 C=CCCCOc1ccc(nc1)Br 7a_100000685995_100000757094 [0,3,0,0,0,0|1,0,0]=4 15053 B13R1.9 C=CCCCOc1ccc(nc1)C 34a_100000745506_100000757094 [0,3,0,0,0,0|1,0,0]=4 15054 B13R1.9 C=CCCCOc1ccc(nc1)C 7a_100000745506_100000757094 [0,3,0,0,0,0|1,0,0]=4 15055 B13R1.9 C=CCCCOc1ccc(nc1)Cl 34a_100000744096_100000757094 [0,3,0,0,0,0|1,0,0]=4 15056 B13R1.9 C=CCCCOc1ccc(nc1)Cl 7a_100000744096_100000757094 [0,3,0,0,0,0|1,0,0]=4 15057 B13R1.9 C=CCCCOc1ccc(nc1)F 34a_100000688820_100000757094 [0,3,0,0,0,0|1,0,0]=4 15058 B13R1.9 C=CCCCOc1ccc(nc1)F 7a_100000688820_100000757094 [0,3,0,0,0,0|1,0,0]=4 15059 B13R1.9 C=CCCCOc1ccc(nc1)I 34a_100000687607_100000757094 [0,3,0,0,0,0|1,0,0]=4 15060 B13R1.9 C=CCCCOc1ccc(nc1)I 7a_100000687607_100000757094 [0,3,0,0,0,0|1,0,0]=4 15061 B13R1.9 C=CCCCOc1ccc(nc1)N 34a_100015188713_100000757094 [0,3,0,0,0,0|1,0,0]=4 15062 B13R1.9 C=CCCCOc1ccc(nc1)N 7a_100015188713_100000757094 [0,3,0,0,0,0|1,0,0]=4 15063 B13R1.9 C=CCCCSc1ccc(cc1)Br 62a_100000752885_100000757094 [0,3,0,0,0,0|0,1,0]=4 15064 B13R1.9 C=CCCCSc1ccc(cc1)Br 62a_100011713584_100000752885 [0,3,0,0,0,0|0,1,0]=4 15065 B13R1.9 C=CCCCSc1ccc(cc1)C 62a_100000186775_100000757094 [0,3,0,0,0,0|0,1,0]=4 15066 B13R1.9 C=CCCCSc1ccc(cc1)C 62a_100011713584_100000186775 [0,3,0,0,0,0|0,1,0]=4 15067 B13R1.9 C=CCCCSc1ccc(cc1)Cl 62a_100000755918_100000757094 [0,3,0,0,0,0|0,1,0]=4 15068 B13R1.9 C=CCCCSc1ccc(cc1)Cl 62a_100011713584_100000755918 [0,3,0,0,0,0|0,1,0]=4 15069 B13R1.9 C=CCCCSc1ccc(cc1)F 62a_100000211213_100000757094 [0,3,0,0,0,0|0,1,0]=4 15070 B13R1.9 C=CCCCSc1ccc(cc1)F 62a_100011713584_100000211213 [0,3,0,0,0,0|0,1,0]=4 15071 B13R1.9 C=CCCCSc1ccc(cc1)N 62a_100000185761_100000757094 [0,3,0,0,0,0|0,1,0]=4 15072 B13R1.9 C=CCCCSc1ccc(cc1)N 62a_100011713584_100000185761 [0,3,0,0,0,0|0,1,0]=4 15073 B13R1.9 C=CCCCSc1ccc(cc1)O 62a_100011713584_100000185759 [0,3,0,0,0,0|0,1,0]=4 15074 B13R1.9 C=CCCNCc1ccc(cc1)Br 207a_100015191253_100000186029 [0,3,0,0,0,0|1,0,0]=4 15075 B13R1.9 C=CCCNCc1ccc(cc1)Br 2230a_100000174875_100000754431 [0,3,0,0,0,0|1,0,0]=4 15076 B13R1.9 C=CCCNCc1ccc(cc1)Br 2230a_100015191253_100011217064 [0,3,0,0,0,0|1,0,0]=4 15077 B13R1.9 C=CCCNCc1ccc(cc1)Br 270004a_100015191253_100000186029 [0,3,0,0,0,0|1,0,0]=4 15078 B13R1.9 C=CCCNCc1ccc(cc1)Br 34a_100000174875_100000754431 [0,3,0,0,0,0|1,0,0]=4 15079 B13R1.9 C=CCCNCc1ccc(cc1)C 207a_100015191253_100000211033 [0,3,0,0,0,0|1,0,0]=4 15080 B13R1.9 C=CCCNCc1ccc(cc1)C 2230a_100000174908_100000754431 [0,3,0,0,0,0|1,0,0]=4 15081 B13R1.9 C=CCCNCc1ccc(cc1)C 2230a_100015191253_100000210814 [0,3,0,0,0,0|1,0,0]=4 15082 B13R1.9 C=CCCNCc1ccc(cc1)C 270004a_100015191253_100000211033 [0,3,0,0,0,0|1,0,0]=4 15083 B13R1.9 C=CCCNCc1ccc(cc1)C 34a_100000174908_100000754431 [0,3,0,0,0,0|1,0,0]=4 15084 B13R1.9 C=CCCNCc1ccc(cc1)Cl 207a_100015191253_100000189385 [0,3,0,0,0,0|1,0,0]=4 15085 B13R1.9 C=CCCNCc1ccc(cc1)Cl 2230a_100000174871_100000754431 [0,3,0,0,0,0|1,0,0]=4 15086 B13R1.9 C=CCCNCc1ccc(cc1)Cl 2230a_100015191253_100000694040 [0,3,0,0,0,0|1,0,0]=4 15087 B13R1.9 C=CCCNCc1ccc(cc1)Cl 270004a_100015191253_100000189385 [0,3,0,0,0,0|1,0,0]=4 15088 B13R1.9 C=CCCNCc1ccc(cc1)Cl 34a_100000174871_100000754431 [0,3,0,0,0,0|1,0,0]=4 15089 B13R1.9 C=CCCNCc1ccc(cc1)F 207a_100015191253_100000210084 [0,3,0,0,0,0|1,0,0]=4 15090 B13R1.9 C=CCCNCc1ccc(cc1)F 2230a_100000174882_100000754431 [0,3,0,0,0,0|1,0,0]=4 15091 B13R1.9 C=CCCNCc1ccc(cc1)F 2230a_100015191253_100000198546 [0,3,0,0,0,0|1,0,0]=4 15092 B13R1.9 C=CCCNCc1ccc(cc1)F 270004a_100015191253_100000210084 [0,3,0,0,0,0|1,0,0]=4 15093 B13R1.9 C=CCCNCc1ccc(cc1)F 34a_100000174882_100000754431 [0,3,0,0,0,0|1,0,0]=4 15094 B13R1.9 C=CCCNCc1ccc(cc1)I 207a_100015191253_100000188517 [0,3,0,0,0,0|1,0,0]=4 15095 B13R1.9 C=CCCNCc1ccc(cc1)I 2230a_100015191253_100000189116 [0,3,0,0,0,0|1,0,0]=4 15096 B13R1.9 C=CCCNCc1ccc(cc1)I 2230a_100016989417_100000754431 [0,3,0,0,0,0|1,0,0]=4 15097 B13R1.9 C=CCCNCc1ccc(cc1)I 34a_100016989417_100000754431 [0,3,0,0,0,0|1,0,0]=4 15098 B13R1.9 C=CCCNCc1ccc(cc1)O 34a_100000185549_100000754431 [0,3,0,0,0,0|1,0,0]=4 15099 B13R1.9 C=CCCOCc1cc[n+](cc1)C 34a_100009831711_100000754431 [0,3,0,0,0,0|1,0,0]=4 15100 B13R1.9 C=CCCOCc1cc[n+](cc1)[O-] 34a_100000031831_100000754431 [0,3,0,0,0,0|1,0,0]=4 15101 B13R1.9 C=CCCOCc1cc[n+](cc1)[O-] 7a_100000031831_100000754431 [0,3,0,0,0,0|1,0,0]=4 15102 B13R1.9 C=CCCOCc1ccc(=O)[nH]c1 34a_100011999846_100000754431 [0,3,0,0,0,0|1,0,0]=4 15103 B13R1.9 C=CCCOCc1ccc(cc1)Br 34a_100000695286_100000754431 [0,3,0,0,0,0|0,0,0]=3 15104 B13R1.9 C=CCCOCc1ccc(cc1)Br 34a_100011205117_100000189115 [0,3,0,0,0,0|0,0,0]=3 15105 B13R1.9 C=CCCOCc1ccc(cc1)C 34a_100011205117_100000210814 [0,3,0,0,0,0|0,0,0]=3 15106 B13R1.9 C=CCCOCc1ccc(cc1)C 34a_100011215236_100000754431 [0,3,0,0,0,0|0,0,0]=3 15107 B13R1.9 C=CCCOCc1ccc(cc1)C 7a_100011215236_100000754431 [0,3,0,0,0,0|0,0,0]=3 15108 B13R1.9 C=CCCOCc1ccc(cc1)Cl 34a_100000211118_100000754431 [0,3,0,0,0,0|0,0,0]=3 15109 B13R1.9 C=CCCOCc1ccc(cc1)Cl 34a_100011205117_100000694040 [0,3,0,0,0,0|0,0,0]=3 15110 B13R1.9 C=CCCOCc1ccc(cc1)Cl 7a_100000211118_100000754431 [0,3,0,0,0,0|0,0,0]=3 15111 B13R1.9 C=CCCOCc1ccc(cc1)F 34a_100000210977_100000754431 [0,3,0,0,0,0|0,0,0]=3 15112 B13R1.9 C=CCCOCc1ccc(cc1)F 34a_100011205117_100000198546 [0,3,0,0,0,0|0,0,0]=3 15113 B13R1.9 C=CCCOCc1ccc(cc1)F 7a_100000210977_100000754431 [0,3,0,0,0,0|0,0,0]=3 15114 B13R1.9 C=CCCOCc1ccc(cc1)I 34a_100000690907_100000754431 [0,3,0,0,0,0|0,0,0]=3 15115 B13R1.9 C=CCCOCc1ccc(cc1)I 34a_100011205117_100000189116 [0,3,0,0,0,0|0,0,0]=3 15116 B13R1.9 C=CCCOCc1ccc(cc1)I 7a_100000690907_100000754431 [0,3,0,0,0,0|0,0,0]=3 15117 B13R1.9 C=CCCOCc1ccc(cc1)N 34a_100011215238_100000754431 [0,3,0,0,0,0|0,0,0]=3 15118 B13R1.9 C=CCCOCc1ccc(cn1)Br 34a_100000754261_100000754431 [0,3,0,0,0,0|1,0,0]=4 15119 B13R1.9 C=CCCOCc1ccc(cn1)Br 34a_100011205117_100000702658 [0,3,0,0,0,0|1,0,0]=4 15120 B13R1.9 C=CCCOCc1ccc(cn1)C 34a_100011205117_100000691093 [0,3,0,0,0,0|1,0,0]=4 15121 B13R1.9 C=CCCOCc1ccc(cn1)C 34a_100012001401_100000754431 [0,3,0,0,0,0|1,0,0]=4 15122 B13R1.9 C=CCCOCc1ccc(cn1)Cl 34a_100000703999_100000754431 [0,3,0,0,0,0|1,0,0]=4 15123 B13R1.9 C=CCCOCc1ccc(cn1)Cl 34a_100011205117_100012066911 [0,3,0,0,0,0|1,0,0]=4 15124 B13R1.9 C=CCCOCc1ccc(cn1)F 34a_100011205117_100000703193 [0,3,0,0,0,0|1,0,0]=4 15125 B13R1.9 C=CCCOCc1ccc(cn1)F 34a_100011999454_100000754431 [0,3,0,0,0,0|1,0,0]=4 15126 B13R1.9 C=CCCOCc1ccc(cn1)N 34a_100011998161_100000754431 [0,3,0,0,0,0|1,0,0]=4 15127 B13R1.9 C=CCCOCc1ccc(nc1)Br 34a_100009816760_100000754431 [0,3,0,0,0,0|1,0,0]=4 15128 B13R1.9 C=CCCOCc1ccc(nc1)Br 34a_100011205117_100009831999 [0,3,0,0,0,0|1,0,0]=4 15129 B13R1.9 C=CCCOCc1ccc(nc1)Br 7a_100009816760_100000754431 [0,3,0,0,0,0|1,0,0]=4 15130 B13R1.9 C=CCCOCc1ccc(nc1)C 34a_100011205117_100016987292 [0,3,0,0,0,0|1,0,0]=4 15131 B13R1.9 C=CCCOCc1ccc(nc1)C 34a_100011248133_100000754431 [0,3,0,0,0,0|1,0,0]=4 15132 B13R1.9 C=CCCOCc1ccc(nc1)Cl 34a_100000755211_100000754431 [0,3,0,0,0,0|1,0,0]=4 15133 B13R1.9 C=CCCOCc1ccc(nc1)Cl 34a_100011205117_100000735431 [0,3,0,0,0,0|1,0,0]=4 15134 B13R1.9 C=CCCOCc1ccc(nc1)Cl 7a_100000755211_100000754431 [0,3,0,0,0,0|1,0,0]=4 15135 B13R1.9 C=CCCOCc1ccc(nc1)F 34a_100000079959_100000754431 [0,3,0,0,0,0|1,0,0]=4 15136 B13R1.9 C=CCCOCc1ccc(nc1)F 34a_100011205117_100000099788 [0,3,0,0,0,0|1,0,0]=4 15137 B13R1.9 C=CCCOCc1ccc(nc1)N 34a_100000704267_100000754431 [0,3,0,0,0,0|1,0,0]=4 15138 B13R1.9 C=CCCSCc1ccc(cc1)Br 62a_100000189115_100000754431 [0,3,0,0,0,0|0,1,0]=4 15139 B13R1.9 C=CCCSCc1ccc(cc1)Br 62a_100000754431_100000189115 [0,3,0,0,0,0|0,1,0]=4 15140 B13R1.9 C=CCCSCc1ccc(cc1)C 62a_100000210814_100000754431 [0,3,0,0,0,0|0,1,0]=4 15141 B13R1.9 C=CCCSCc1ccc(cc1)C 62a_100000754431_100000210814 [0,3,0,0,0,0|0,1,0]=4 15142 B13R1.9 C=CCCSCc1ccc(cc1)Cl 62a_100000187161_100000754431 [0,3,0,0,0,0|0,1,0]=4 15143 B13R1.9 C=CCCSCc1ccc(cc1)Cl 62a_100000754431_100000187161 [0,3,0,0,0,0|0,1,0]=4 15144 B13R1.9 C=CCCSCc1ccc(cc1)F 62a_100000198546_100000754431 [0,3,0,0,0,0|0,1,0]=4 15145 B13R1.9 C=CCCSCc1ccc(cc1)F 62a_100000754431_100000187164 [0,3,0,0,0,0|0,1,0]=4 15146 B13R1.9 C=CCCSCc1ccc(cc1)I 62a_100000189116_100000754431 [0,3,0,0,0,0|0,1,0]=4 15147 B13R1.9 C=CCCSCc1ccc(cc1)I 62a_100000754431_100000189116 [0,3,0,0,0,0|0,1,0]=4 15148 B13R1.9 C=CCNCCc1ccc(cc1)Br 2230a_100000755846_100000210623 [0,3,0,0,0,0|1,0,0]=4 15149 B13R1.9 C=CCNCCc1ccc(cc1)Br 2230a_100020586998_100011740612 [0,3,0,0,0,0|1,0,0]=4 15150 B13R1.9 C=CCNCCc1ccc(cc1)Br 34a_100000755846_100015514636 [0,3,0,0,0,0|1,0,0]=4 15151 B13R1.9 C=CCNCCc1ccc(cc1)C 2230a_100000705350_100000210623 [0,3,0,0,0,0|1,0,0]=4 15152 B13R1.9 C=CCNCCc1ccc(cc1)C 2230a_100020586998_100011713686 [0,3,0,0,0,0|1,0,0]=4 15153 B13R1.9 C=CCNCCc1ccc(cc1)C 34a_100000705350_100015514636 [0,3,0,0,0,0|1,0,0]=4 15154 B13R1.9 C=CCNCCc1ccc(cc1)Cl 2230a_100000185265_100000210623 [0,3,0,0,0,0|1,0,0]=4 15155 B13R1.9 C=CCNCCc1ccc(cc1)Cl 2230a_100020586998_100011713675 [0,3,0,0,0,0|1,0,0]=4 15156 B13R1.9 C=CCNCCc1ccc(cc1)Cl 34a_100000185265_100015514636 [0,3,0,0,0,0|1,0,0]=4 15157 B13R1.9 C=CCNCCc1ccc(cc1)F 2230a_100000199005_100000210623 [0,3,0,0,0,0|1,0,0]=4 15158 B13R1.9 C=CCNCCc1ccc(cc1)F 2230a_100020586998_100011217392 [0,3,0,0,0,0|1,0,0]=4 15159 B13R1.9 C=CCNCCc1ccc(cc1)F 34a_100000199005_100015514636 [0,3,0,0,0,0|1,0,0]=4 15160 B13R1.9 C=CCNCCc1ccc(cc1)O 2230a_100020586998_100009816426 [0,3,0,0,0,0|1,0,0]=4 15161 B13R1.9 C=CCNCCc1ccc(cc1)O 34a_100000743037_100015514636 [0,3,0,0,0,0|1,0,0]=4 15162 B13R1.9 C=CCOCCc1ccc(cc1)Br 34a_100000766406_100015514636 [0,3,0,0,0,0|0,0,0]=3 15163 B13R1.9 C=CCOCCc1ccc(cc1)Br 34a_200000210373_100011740612 [0,3,0,0,0,0|0,0,0]=3 15164 B13R1.9 C=CCOCCc1ccc(cc1)Br 7a_100000766406_100015514636 [0,3,0,0,0,0|0,0,0]=3 15165 B13R1.9 C=CCOCCc1ccc(cc1)C 34a_100000756670_100015514636 [0,3,0,0,0,0|0,0,0]=3 15166 B13R1.9 C=CCOCCc1ccc(cc1)C 34a_200000210373_100011713686 [0,3,0,0,0,0|0,0,0]=3 15167 B13R1.9 C=CCOCCc1ccc(cc1)C 7a_100000756670_100015514636 [0,3,0,0,0,0|0,0,0]=3 15168 B13R1.9 C=CCOCCc1ccc(cc1)Cl 34a_100011219627_100015514636 [0,3,0,0,0,0|0,0,0]=3 15169 B13R1.9 C=CCOCCc1ccc(cc1)Cl 34a_200000210373_100011713675 [0,3,0,0,0,0|0,0,0]=3 15170 B13R1.9 C=CCOCCc1ccc(cc1)Cl 7a_100011219627_100015514636 [0,3,0,0,0,0|0,0,0]=3 15171 B13R1.9 C=CCOCCc1ccc(cc1)F 34a_100000754732_100015514636 [0,3,0,0,0,0|0,0,0]=3 15172 B13R1.9 C=CCOCCc1ccc(cc1)F 34a_200000210373_100011217392 [0,3,0,0,0,0|0,0,0]=3 15173 B13R1.9 C=CCOCCc1ccc(cc1)F 7a_100000754732_100015514636 [0,3,0,0,0,0|0,0,0]=3 15174 B13R1.9 C=CCOCCc1ccc(cc1)I 34a_100012291149_100015514636 [0,3,0,0,0,0|0,0,0]=3 15175 B13R1.9 C=CCOCCc1ccc(cc1)I 7a_100012291149_100015514636 [0,3,0,0,0,0|0,0,0]=3 15176 B13R1.9 C=CCOCCc1ccc(cc1)N 34a_100011204434_100015514636 [0,3,0,0,0,0|0,0,0]=3 15177 B13R1.9 C=CCOCCc1ccc(cn1)Br 34a_100012357577_100015514636 [0,3,0,0,0,0|1,0,0]=4 15178 B13R1.9 C=CCOCCc1ccc(nc1)C 34a_100011815783_100015514636 [0,3,0,0,0,0|1,0,0]=4 15179 B13R1.9 C=CCOCCc1ccc(nc1)Cl 34a_100009880866_100015514636 [0,3,0,0,0,0|1,0,0]=4 15180 B13R1.9 C=CCOCCc1ccc(nc1)Cl 7a_100009880866_100015514636 [0,3,0,0,0,0|1,0,0]=4 15181 B13R1.9 C=CCSCCc1ccc(cc1)Br 62a_100000210623_100011740612 [0,3,0,0,0,0|0,1,0]=4 15182 B13R1.9 C=CCSCCc1ccc(cc1)Br 62a_100011740612_100000210623 [0,3,0,0,0,0|0,1,0]=4 15183 B13R1.9 C=CCSCCc1ccc(cc1)C 62a_100000210623_100011713686 [0,3,0,0,0,0|0,1,0]=4 15184 B13R1.9 C=CCSCCc1ccc(cc1)C 62a_100011713686_100000210623 [0,3,0,0,0,0|0,1,0]=4 15185 B13R1.9 C=CCSCCc1ccc(cc1)Cl 62a_100000210623_100011713675 [0,3,0,0,0,0|0,1,0]=4 15186 B13R1.9 C=CCSCCc1ccc(cc1)Cl 62a_100011713675_100000210623 [0,3,0,0,0,0|0,1,0]=4 15187 B13R1.9 C=CCSCCc1ccc(cc1)F 62a_100000210623_100011217392 [0,3,0,0,0,0|0,1,0]=4 15188 B13R1.9 C=CCSCCc1ccc(cc1)F 62a_100011217392_100000210623 [0,3,0,0,0,0|0,1,0]=4 15189 B13R1.9 C=CCSCCc1ccc(cc1)O 62a_100000210623_100009816426 [0,3,0,0,0,0|0,1,0]=4 15190 B13R1.9 C=CCSCCc1ccc(cc1)O 62a_100009816426_100000210623 [0,3,0,0,0,0|0,1,0]=4 15191 B13R1.9 C=COCCNc1ccc(cc1)Br 2230a_100000210018_100000039644 [0,3,0,0,0,0|1,0,0]=4 15192 B13R1.9 C=COCCNc1ccc(cc1)Br 34a_100000210018_100000039644 [0,3,0,0,0,0|1,0,0]=4 15193 B13R1.9 C=COCCNc1ccc(cc1)C 34a_100000124888_100000039644 [0,3,0,0,0,0|1,0,0]=4 15194 B13R1.9 C=COCCNc1ccc(cc1)Cl 2230a_100000210052_100000039644 [0,3,0,0,0,0|1,0,0]=4 15195 B13R1.9 C=COCCNc1ccc(cc1)Cl 34a_100000210052_100000039644 [0,3,0,0,0,0|1,0,0]=4 15196 B13R1.9 C=COCCNc1ccc(cc1)F 34a_100000185862_100000039644 [0,3,0,0,0,0|1,0,0]=4 15197 B13R1.9 C=COCCNc1ccc(cc1)I 34a_100000185761_100000039644 [0,3,0,0,0,0|1,0,0]=4 15198 B13R1.9 C=COCCNc1ccc(cc1)O 34a_100000185829_100000039644 [0,3,0,0,0,0|1,0,0]=4 15199 B13R1.9 C=COCCOc1ccc(=O)[nH]c1 34a_100000075641_100000039644 [0,3,0,0,0,0|1,0,0]=4 15200 B13R1.9 C=COCCOc1ccc(cc1)Br 34a_100000185759_100000039644 [0,3,0,0,0,0|0,0,0]=3 15201 B13R1.9 C=COCCOc1ccc(cc1)Br 7a_100000185759_100000039644 [0,3,0,0,0,0|0,0,0]=3 15202 B13R1.9 C=COCCOc1ccc(cc1)C 34a_100000210336_100000039644 [0,3,0,0,0,0|0,0,0]=3 15203 B13R1.9 C=COCCOc1ccc(cc1)C 7a_100000210336_100000039644 [0,3,0,0,0,0|0,0,0]=3 15204 B13R1.9 C=COCCOc1ccc(cc1)Cl 34a_100000210216_100000039644 [0,3,0,0,0,0|0,0,0]=3 15205 B13R1.9 C=COCCOc1ccc(cc1)Cl 7a_100000210216_100000039644 [0,3,0,0,0,0|0,0,0]=3 15206 B13R1.9 C=COCCOc1ccc(cc1)F 34a_100000210339_100000039644 [0,3,0,0,0,0|0,0,0]=3 15207 B13R1.9 C=COCCOc1ccc(cc1)I 34a_100000212066_100000039644 [0,3,0,0,0,0|0,0,0]=3 15208 B13R1.9 C=COCCOc1ccc(cc1)I 7a_100000212066_100000039644 [0,3,0,0,0,0|0,0,0]=3 15209 B13R1.9 C=COCCOc1ccc(cc1)N 34a_100000185829_100000039644 [0,3,0,0,0,0|0,0,0]=3 15210 B13R1.9 C=COCCOc1ccc(cn1)C 34a_100000759353_100000039644 [0,3,0,0,0,0|1,0,0]=4 15211 B13R1.9 C=COCCOc1ccc(cn1)Cl 34a_100011215309_100000039644 [0,3,0,0,0,0|1,0,0]=4 15212 B13R1.9 C=COCCOc1ccc(cn1)F 34a_100000742473_100000039644 [0,3,0,0,0,0|1,0,0]=4 15213 B13R1.9 C=COCCOc1ccc(cn1)N 34a_100000729260_100000039644 [0,3,0,0,0,0|1,0,0]=4 15214 B13R1.9 C=COCCOc1ccc(nc1)Br 34a_100000685995_100000039644 [0,3,0,0,0,0|1,0,0]=4 15215 B13R1.9 C=COCCOc1ccc(nc1)Br 7a_100000685995_100000039644 [0,3,0,0,0,0|1,0,0]=4 15216 B13R1.9 C=COCCOc1ccc(nc1)C 34a_100000745506_100000039644 [0,3,0,0,0,0|1,0,0]=4 15217 B13R1.9 C=COCCOc1ccc(nc1)C 7a_100000745506_100000039644 [0,3,0,0,0,0|1,0,0]=4 15218 B13R1.9 C=COCCOc1ccc(nc1)Cl 34a_100000744096_100000039644 [0,3,0,0,0,0|1,0,0]=4 15219 B13R1.9 C=COCCOc1ccc(nc1)Cl 7a_100000744096_100000039644 [0,3,0,0,0,0|1,0,0]=4 15220 B13R1.9 C=COCCOc1ccc(nc1)F 34a_100000688820_100000039644 [0,3,0,0,0,0|1,0,0]=4 15221 B13R1.9 C=COCCOc1ccc(nc1)F 7a_100000688820_100000039644 [0,3,0,0,0,0|1,0,0]=4 15222 B13R1.9 C=COCCOc1ccc(nc1)I 34a_100000687607_100000039644 [0,3,0,0,0,0|1,0,0]=4 15223 B13R1.9 C=COCCOc1ccc(nc1)I 7a_100000687607_100000039644 [0,3,0,0,0,0|1,0,0]=4 15224 B13R1.9 C=COCCOc1ccc(nc1)N 34a_100015188713_100000039644 [0,3,0,0,0,0|1,0,0]=4 15225 B13R1.9 C=COCCOc1ccc(nc1)N 7a_100015188713_100000039644 [0,3,0,0,0,0|1,0,0]=4 15226 B13R1.9 C=COCCSc1ccc(cc1)Br 62a_100000039644_100000752885 [0,3,0,0,0,0|0,1,0]=4 15227 B13R1.9 C=COCCSc1ccc(cc1)Br 62a_100000752885_100000039644 [0,3,0,0,0,0|0,1,0]=4 15228 B13R1.9 C=COCCSc1ccc(cc1)C 62a_100000039644_100000186775 [0,3,0,0,0,0|0,1,0]=4 15229 B13R1.9 C=COCCSc1ccc(cc1)C 62a_100000186775_100000039644 [0,3,0,0,0,0|0,1,0]=4 15230 B13R1.9 C=COCCSc1ccc(cc1)Cl 62a_100000039644_100000755918 [0,3,0,0,0,0|0,1,0]=4 15231 B13R1.9 C=COCCSc1ccc(cc1)Cl 62a_100000755918_100000039644 [0,3,0,0,0,0|0,1,0]=4 15232 B13R1.9 C=COCCSc1ccc(cc1)F 62a_100000039644_100000211213 [0,3,0,0,0,0|0,1,0]=4 15233 B13R1.9 C=COCCSc1ccc(cc1)F 62a_100000211213_100000039644 [0,3,0,0,0,0|0,1,0]=4 15234 B13R1.9 C=COCCSc1ccc(cc1)N 62a_100000039644_100000185761 [0,3,0,0,0,0|0,1,0]=4 15235 B13R1.9 C=COCCSc1ccc(cc1)N 62a_100000185761_100000039644 [0,3,0,0,0,0|0,1,0]=4 15236 B13R1.9 C=COCCSc1ccc(cc1)O 62a_100000039644_100000185759 [0,3,0,0,0,0|0,1,0]=4 15237 B13R1.9 CC/C=C\CNc1ccc(cc1)Br 2230a_100000210018_100103147603 [0,3,0,0,0,0|1,0,0]=4 15238 B13R1.9 CC/C=C\CNc1ccc(cc1)Br 34a_100000210018_100103147603 [0,3,0,0,0,0|1,0,0]=4 15239 B13R1.9 CC/C=C\CNc1ccc(cc1)C 34a_100000124888_100103147603 [0,3,0,0,0,0|1,0,0]=4 15240 B13R1.9 CC/C=C\CNc1ccc(cc1)Cl 2230a_100000210052_100103147603 [0,3,0,0,0,0|1,0,0]=4 15241 B13R1.9 CC/C=C\CNc1ccc(cc1)Cl 34a_100000210052_100103147603 [0,3,0,0,0,0|1,0,0]=4 15242 B13R1.9 CC/C=C\CNc1ccc(cc1)F 34a_100000185862_100103147603 [0,3,0,0,0,0|1,0,0]=4 15243 B13R1.9 CC/C=C\CNc1ccc(cc1)I 34a_100000185761_100103147603 [0,3,0,0,0,0|1,0,0]=4 15244 B13R1.9 CC/C=C\CNc1ccc(cc1)O 34a_100000185829_100103147603 [0,3,0,0,0,0|1,0,0]=4 15245 B13R1.9 CC/C=C\COc1ccc(=O)[nH]c1 34a_100000075641_100103147603 [0,3,0,0,0,0|1,0,0]=4 15246 B13R1.9 CC/C=C\COc1ccc(cc1)Br 34a_100000185759_100103147603 [0,3,0,0,0,0|0,0,0]=3 15247 B13R1.9 CC/C=C\COc1ccc(cc1)Br 7a_100000185759_100103147603 [0,3,0,0,0,0|0,0,0]=3 15248 B13R1.9 CC/C=C\COc1ccc(cc1)C 34a_100000210336_100103147603 [0,3,0,0,0,0|0,0,0]=3 15249 B13R1.9 CC/C=C\COc1ccc(cc1)C 7a_100000210336_100103147603 [0,3,0,0,0,0|0,0,0]=3 15250 B13R1.9 CC/C=C\COc1ccc(cc1)Cl 34a_100000210216_100103147603 [0,3,0,0,0,0|0,0,0]=3 15251 B13R1.9 CC/C=C\COc1ccc(cc1)Cl 7a_100000210216_100103147603 [0,3,0,0,0,0|0,0,0]=3 15252 B13R1.9 CC/C=C\COc1ccc(cc1)F 34a_100000210339_100103147603 [0,3,0,0,0,0|0,0,0]=3 15253 B13R1.9 CC/C=C\COc1ccc(cc1)I 34a_100000212066_100103147603 [0,3,0,0,0,0|0,0,0]=3 15254 B13R1.9 CC/C=C\COc1ccc(cc1)I 7a_100000212066_100103147603 [0,3,0,0,0,0|0,0,0]=3 15255 B13R1.9 CC/C=C\COc1ccc(cc1)N 34a_100000185829_100103147603 [0,3,0,0,0,0|0,0,0]=3 15256 B13R1.9 CC/C=C\COc1ccc(cn1)C 34a_100000759353_100103147603 [0,3,0,0,0,0|1,0,0]=4 15257 B13R1.9 CC/C=C\COc1ccc(cn1)Cl 34a_100011215309_100103147603 [0,3,0,0,0,0|1,0,0]=4 15258 B13R1.9 CC/C=C\COc1ccc(cn1)F 34a_100000742473_100103147603 [0,3,0,0,0,0|1,0,0]=4 15259 B13R1.9 CC/C=C\COc1ccc(cn1)N 34a_100000729260_100103147603 [0,3,0,0,0,0|1,0,0]=4 15260 B13R1.9 CC/C=C\COc1ccc(nc1)Br 34a_100000685995_100103147603 [0,3,0,0,0,0|1,0,0]=4 15261 B13R1.9 CC/C=C\COc1ccc(nc1)Br 7a_100000685995_100103147603 [0,3,0,0,0,0|1,0,0]=4 15262 B13R1.9 CC/C=C\COc1ccc(nc1)C 34a_100000745506_100103147603 [0,3,0,0,0,0|1,0,0]=4 15263 B13R1.9 CC/C=C\COc1ccc(nc1)C 7a_100000745506_100103147603 [0,3,0,0,0,0|1,0,0]=4 15264 B13R1.9 CC/C=C\COc1ccc(nc1)Cl 34a_100000744096_100103147603 [0,3,0,0,0,0|1,0,0]=4 15265 B13R1.9 CC/C=C\COc1ccc(nc1)Cl 7a_100000744096_100103147603 [0,3,0,0,0,0|1,0,0]=4 15266 B13R1.9 CC/C=C\COc1ccc(nc1)F 34a_100000688820_100103147603 [0,3,0,0,0,0|1,0,0]=4 15267 B13R1.9 CC/C=C\COc1ccc(nc1)F 7a_100000688820_100103147603 [0,3,0,0,0,0|1,0,0]=4 15268 B13R1.9 CC/C=C\COc1ccc(nc1)I 34a_100000687607_100103147603 [0,3,0,0,0,0|1,0,0]=4 15269 B13R1.9 CC/C=C\COc1ccc(nc1)I 7a_100000687607_100103147603 [0,3,0,0,0,0|1,0,0]=4 15270 B13R1.9 CC/C=C\COc1ccc(nc1)N 34a_100015188713_100103147603 [0,3,0,0,0,0|1,0,0]=4 15271 B13R1.9 CC/C=C\COc1ccc(nc1)N 7a_100015188713_100103147603 [0,3,0,0,0,0|1,0,0]=4 15272 B13R1.9 CC/C=C\CSc1ccc(cc1)Br 62a_100000752885_100103147603 [0,3,0,0,0,0|0,1,0]=4 15273 B13R1.9 CC/C=C\CSc1ccc(cc1)Br 62a_100103147603_100000752885 [0,3,0,0,0,0|0,1,0]=4 15274 B13R1.9 CC/C=C\CSc1ccc(cc1)C 62a_100000186775_100103147603 [0,3,0,0,0,0|0,1,0]=4 15275 B13R1.9 CC/C=C\CSc1ccc(cc1)C 62a_100103147603_100000186775 [0,3,0,0,0,0|0,1,0]=4 15276 B13R1.9 CC/C=C\CSc1ccc(cc1)Cl 62a_100000755918_100103147603 [0,3,0,0,0,0|0,1,0]=4 15277 B13R1.9 CC/C=C\CSc1ccc(cc1)Cl 62a_100103147603_100000755918 [0,3,0,0,0,0|0,1,0]=4 15278 B13R1.9 CC/C=C\CSc1ccc(cc1)F 62a_100000211213_100103147603 [0,3,0,0,0,0|0,1,0]=4 15279 B13R1.9 CC/C=C\CSc1ccc(cc1)F 62a_100103147603_100000211213 [0,3,0,0,0,0|0,1,0]=4 15280 B13R1.9 CC/C=C\CSc1ccc(cc1)N 62a_100000185761_100103147603 [0,3,0,0,0,0|0,1,0]=4 15281 B13R1.9 CC/C=C\CSc1ccc(cc1)N 62a_100103147603_100000185761 [0,3,0,0,0,0|0,1,0]=4 15282 B13R1.9 CC/C=C\CSc1ccc(cc1)O 62a_100103147603_100000185759 [0,3,0,0,0,0|0,1,0]=4 15283 B13R1.9 CC=CCNCc1ccc(cc1)Br 2230a_100000174875_100000070051 [0,3,0,0,0,0|1,0,0]=4 15284 B13R1.9 CC=CCNCc1ccc(cc1)Br 34a_100000174875_100000070051 [0,3,0,0,0,0|1,0,0]=4 15285 B13R1.9 CC=CCNCc1ccc(cc1)C 2230a_100000174908_100000070051 [0,3,0,0,0,0|1,0,0]=4 15286 B13R1.9 CC=CCNCc1ccc(cc1)C 34a_100000174908_100000070051 [0,3,0,0,0,0|1,0,0]=4 15287 B13R1.9 CC=CCNCc1ccc(cc1)Cl 2230a_100000174871_100000070051 [0,3,0,0,0,0|1,0,0]=4 15288 B13R1.9 CC=CCNCc1ccc(cc1)Cl 34a_100000174871_100000070051 [0,3,0,0,0,0|1,0,0]=4 15289 B13R1.9 CC=CCNCc1ccc(cc1)F 2230a_100000174882_100000070051 [0,3,0,0,0,0|1,0,0]=4 15290 B13R1.9 CC=CCNCc1ccc(cc1)F 34a_100000174882_100000070051 [0,3,0,0,0,0|1,0,0]=4 15291 B13R1.9 CC=CCNCc1ccc(cc1)I 2230a_100016989417_100000070051 [0,3,0,0,0,0|1,0,0]=4 15292 B13R1.9 CC=CCNCc1ccc(cc1)I 34a_100016989417_100000070051 [0,3,0,0,0,0|1,0,0]=4 15293 B13R1.9 CC=CCNCc1ccc(cc1)O 34a_100000185549_100000070051 [0,3,0,0,0,0|1,0,0]=4 15294 B13R1.9 CC=CCOCc1cc[n+](cc1)C 34a_100009831711_100000070051 [0,3,0,0,0,0|1,0,0]=4 15295 B13R1.9 CC=CCOCc1cc[n+](cc1)[O-] 34a_100000031831_100000070051 [0,3,0,0,0,0|1,0,0]=4 15296 B13R1.9 CC=CCOCc1cc[n+](cc1)[O-] 7a_100000031831_100000070051 [0,3,0,0,0,0|1,0,0]=4 15297 B13R1.9 CC=CCOCc1ccc(=O)[nH]c1 34a_100011999846_100000070051 [0,3,0,0,0,0|1,0,0]=4 15298 B13R1.9 CC=CCOCc1ccc(cc1)Br 34a_100000695286_100000070051 [0,3,0,0,0,0|0,0,0]=3 15299 B13R1.9 CC=CCOCc1ccc(cc1)C 34a_100011215236_100000070051 [0,3,0,0,0,0|0,0,0]=3 15300 B13R1.9 CC=CCOCc1ccc(cc1)C 7a_100011215236_100000070051 [0,3,0,0,0,0|0,0,0]=3 15301 B13R1.9 CC=CCOCc1ccc(cc1)Cl 34a_100000211118_100000070051 [0,3,0,0,0,0|0,0,0]=3 15302 B13R1.9 CC=CCOCc1ccc(cc1)Cl 7a_100000211118_100000070051 [0,3,0,0,0,0|0,0,0]=3 15303 B13R1.9 CC=CCOCc1ccc(cc1)F 34a_100000210977_100000070051 [0,3,0,0,0,0|0,0,0]=3 15304 B13R1.9 CC=CCOCc1ccc(cc1)F 7a_100000210977_100000070051 [0,3,0,0,0,0|0,0,0]=3 15305 B13R1.9 CC=CCOCc1ccc(cc1)I 34a_100000690907_100000070051 [0,3,0,0,0,0|0,0,0]=3 15306 B13R1.9 CC=CCOCc1ccc(cc1)I 7a_100000690907_100000070051 [0,3,0,0,0,0|0,0,0]=3 15307 B13R1.9 CC=CCOCc1ccc(cc1)N 34a_100011215238_100000070051 [0,3,0,0,0,0|0,0,0]=3 15308 B13R1.9 CC=CCOCc1ccc(cn1)Br 34a_100000754261_100000070051 [0,3,0,0,0,0|1,0,0]=4 15309 B13R1.9 CC=CCOCc1ccc(cn1)C 34a_100012001401_100000070051 [0,3,0,0,0,0|1,0,0]=4 15310 B13R1.9 CC=CCOCc1ccc(cn1)Cl 34a_100000703999_100000070051 [0,3,0,0,0,0|1,0,0]=4 15311 B13R1.9 CC=CCOCc1ccc(cn1)F 34a_100011999454_100000070051 [0,3,0,0,0,0|1,0,0]=4 15312 B13R1.9 CC=CCOCc1ccc(cn1)N 34a_100011998161_100000070051 [0,3,0,0,0,0|1,0,0]=4 15313 B13R1.9 CC=CCOCc1ccc(nc1)Br 34a_100009816760_100000070051 [0,3,0,0,0,0|1,0,0]=4 15314 B13R1.9 CC=CCOCc1ccc(nc1)Br 7a_100009816760_100000070051 [0,3,0,0,0,0|1,0,0]=4 15315 B13R1.9 CC=CCOCc1ccc(nc1)C 34a_100011248133_100000070051 [0,3,0,0,0,0|1,0,0]=4 15316 B13R1.9 CC=CCOCc1ccc(nc1)Cl 34a_100000755211_100000070051 [0,3,0,0,0,0|1,0,0]=4 15317 B13R1.9 CC=CCOCc1ccc(nc1)Cl 7a_100000755211_100000070051 [0,3,0,0,0,0|1,0,0]=4 15318 B13R1.9 CC=CCOCc1ccc(nc1)F 34a_100000079959_100000070051 [0,3,0,0,0,0|1,0,0]=4 15319 B13R1.9 CC=CCOCc1ccc(nc1)N 34a_100000704267_100000070051 [0,3,0,0,0,0|1,0,0]=4 15320 B13R1.9 CC=CCSCc1ccc(cc1)Br 62a_100000070051_100000189115 [0,3,0,0,0,0|0,1,0]=4 15321 B13R1.9 CC=CCSCc1ccc(cc1)Br 62a_100000189115_100000070051 [0,3,0,0,0,0|0,1,0]=4 15322 B13R1.9 CC=CCSCc1ccc(cc1)C 62a_100000070051_100000210814 [0,3,0,0,0,0|0,1,0]=4 15323 B13R1.9 CC=CCSCc1ccc(cc1)C 62a_100000210814_100000070051 [0,3,0,0,0,0|0,1,0]=4 15324 B13R1.9 CC=CCSCc1ccc(cc1)Cl 62a_100000070051_100000187161 [0,3,0,0,0,0|0,1,0]=4 15325 B13R1.9 CC=CCSCc1ccc(cc1)Cl 62a_100000187161_100000070051 [0,3,0,0,0,0|0,1,0]=4 15326 B13R1.9 CC=CCSCc1ccc(cc1)F 62a_100000070051_100000187164 [0,3,0,0,0,0|0,1,0]=4 15327 B13R1.9 CC=CCSCc1ccc(cc1)F 62a_100000198546_100000070051 [0,3,0,0,0,0|0,1,0]=4 15328 B13R1.9 CC=CCSCc1ccc(cc1)I 62a_100000070051_100000189116 [0,3,0,0,0,0|0,1,0]=4 15329 B13R1.9 CC=CCSCc1ccc(cc1)I 62a_100000189116_100000070051 [0,3,0,0,0,0|0,1,0]=4 15330 B13R1.9 Cc1ccc(cc1)CCOCC=O 34a_100000756670_200009817547 [0,3,0,0,0,0|1,0,0]=4 15331 B13R1.9 Cc1ccc(cc1)CCOCC=O 7a_100000756670_200015260668 [0,3,0,0,0,0|1,0,0]=4 15332 B13R1.9 Cc1ccc(cc1)OCCCC=O 7a_100000210336_200011292268 [0,3,0,0,0,0|0,0,1]=4 15333 B13R1.9 Nc1ccc(cc1)CCOCC=O 34a_100011204434_200009817547 [0,3,0,0,0,0|1,0,0]=4 15334 B13R1.9 O=CCCCOc1ccc(cc1)Br 7a_100000185759_200011292268 [0,3,0,0,0,0|0,0,1]=4 15335 B13R1.9 O=CCCCOc1ccc(cc1)Cl 7a_100000210216_200011292268 [0,3,0,0,0,0|0,0,1]=4 15336 B13R1.9 O=CCCCOc1ccc(cc1)I 7a_100000212066_200011292268 [0,3,0,0,0,0|0,0,1]=4 15337 B13R1.9 O=CCOCCc1ccc(cc1)Br 34a_100000766406_200009817547 [0,3,0,0,0,0|1,0,0]=4 15338 B13R1.9 O=CCOCCc1ccc(cc1)Br 7a_100000766406_200015260668 [0,3,0,0,0,0|1,0,0]=4 15339 B13R1.9 O=CCOCCc1ccc(cc1)Cl 34a_100011219627_200009817547 [0,3,0,0,0,0|1,0,0]=4 15340 B13R1.9 O=CCOCCc1ccc(cc1)Cl 7a_100011219627_200015260668 [0,3,0,0,0,0|1,0,0]=4 15341 B13R1.9 O=CCOCCc1ccc(cc1)F 34a_100000754732_200009817547 [0,3,0,0,0,0|1,0,0]=4 15342 B13R1.9 O=CCOCCc1ccc(cc1)F 7a_100000754732_200015260668 [0,3,0,0,0,0|1,0,0]=4 15343 B13R1.9 O=CCOCCc1ccc(cc1)I 34a_100012291149_200009817547 [0,3,0,0,0,0|1,0,0]=4 15344 B13R1.9 O=CCOCCc1ccc(cc1)I 7a_100012291149_200015260668 [0,3,0,0,0,0|1,0,0]=4 15345 B13R1.14 C=C(C#N)CNc1ccc(cc1)Br 2230a_100000210018_100000694840 [0,3,0,0,0,0|1,0,0]=4 15346 B13R1.14 C=C(C#N)CNc1ccc(cc1)Br 34a_100000210018_100000694840 [0,3,0,0,0,0|1,0,0]=4 15347 B13R1.14 C=C(C#N)CNc1ccc(cc1)C 34a_100000124888_100000694840 [0,3,0,0,0,0|1,0,0]=4 15348 B13R1.14 C=C(C#N)CNc1ccc(cc1)Cl 2230a_100000210052_100000694840 [0,3,0,0,0,0|1,0,0]=4 15349 B13R1.14 C=C(C#N)CNc1ccc(cc1)Cl 34a_100000210052_100000694840 [0,3,0,0,0,0|1,0,0]=4 15350 B13R1.14 C=C(C#N)CNc1ccc(cc1)F 34a_100000185862_100000694840 [0,3,0,0,0,0|1,0,0]=4 15351 B13R1.14 C=C(C#N)CNc1ccc(cc1)I 34a_100000185761_100000694840 [0,3,0,0,0,0|1,0,0]=4 15352 B13R1.14 C=C(C#N)CNc1ccc(cc1)O 34a_100000185829_100000694840 [0,3,0,0,0,0|1,0,0]=4 15353 B13R1.14 C=C(C#N)COc1ccc(=O)[nH]c1 34a_100000075641_100000694840 [0,3,0,0,0,0|1,0,0]=4 15354 B13R1.14 C=C(C#N)COc1ccc(cc1)Br 34a_100000185759_100000694840 [0,3,0,0,0,0|0,0,0]=3 15355 B13R1.14 C=C(C#N)COc1ccc(cc1)C 34a_100000210336_100000694840 [0,3,0,0,0,0|0,0,0]=3 15356 B13R1.14 C=C(C#N)COc1ccc(cc1)Cl 34a_100000210216_100000694840 [0,3,0,0,0,0|0,0,0]=3 15357 B13R1.14 C=C(C#N)COc1ccc(cc1)F 34a_100000210339_100000694840 [0,3,0,0,0,0|0,0,0]=3 15358 B13R1.14 C=C(C#N)COc1ccc(cc1)I 34a_100000212066_100000694840 [0,3,0,0,0,0|0,0,0]=3 15359 B13R1.14 C=C(C#N)COc1ccc(cc1)N 34a_100000185829_100000694840 [0,3,0,0,0,0|0,0,0]=3 15360 B13R1.14 C=C(C#N)COc1ccc(cn1)C 34a_100000759353_100000694840 [0,3,0,0,0,0|1,0,0]=4 15361 B13R1.14 C=C(C#N)COc1ccc(cn1)Cl 34a_100011215309_100000694840 [0,3,0,0,0,0|1,0,0]=4 15362 B13R1.14 C=C(C#N)COc1ccc(cn1)F 34a_100000742473_100000694840 [0,3,0,0,0,0|1,0,0]=4 15363 B13R1.14 C=C(C#N)COc1ccc(cn1)N 34a_100000729260_100000694840 [0,3,0,0,0,0|1,0,0]=4 15364 B13R1.14 C=C(C#N)COc1ccc(nc1)Br 34a_100000685995_100000694840 [0,3,0,0,0,0|1,0,0]=4 15365 B13R1.14 C=C(C#N)COc1ccc(nc1)C 34a_100000745506_100000694840 [0,3,0,0,0,0|1,0,0]=4 15366 B13R1.14 C=C(C#N)COc1ccc(nc1)Cl 34a_100000744096_100000694840 [0,3,0,0,0,0|1,0,0]=4 15367 B13R1.14 C=C(C#N)COc1ccc(nc1)F 34a_100000688820_100000694840 [0,3,0,0,0,0|1,0,0]=4 15368 B13R1.14 C=C(C#N)COc1ccc(nc1)I 34a_100000687607_100000694840 [0,3,0,0,0,0|1,0,0]=4 15369 B13R1.14 C=C(C#N)COc1ccc(nc1)N 34a_100015188713_100000694840 [0,3,0,0,0,0|1,0,0]=4 15370 B13R1.14 C=C(C#N)CSc1ccc(cc1)Br 62a_100000752885_100000694840 [0,3,0,0,0,0|0,1,0]=4 15371 B13R1.14 C=C(C#N)CSc1ccc(cc1)C 62a_100000186775_100000694840 [0,3,0,0,0,0|0,1,0]=4 15372 B13R1.14 C=C(C#N)CSc1ccc(cc1)Cl 62a_100000755918_100000694840 [0,3,0,0,0,0|0,1,0]=4 15373 B13R1.14 C=C(C#N)CSc1ccc(cc1)F 62a_100000211213_100000694840 [0,3,0,0,0,0|0,1,0]=4 15374 B13R1.14 C=C(C#N)CSc1ccc(cc1)N 62a_100000185761_100000694840 [0,3,0,0,0,0|0,1,0]=4 15375 B13R1.14 C=CC(=O)CCc1ccc(cc1)Br 1458a_100000185746_100011740612 [0,3,0,0,0,0|1,0,0]=4 15376 B13R1.14 C=CC(=O)CCc1ccc(cc1)C 1458a_100000185746_100011713686 [0,3,0,0,0,0|1,0,0]=4 15377 B13R1.14 C=CC(=O)CCc1ccc(cc1)Cl 1458a_100000185746_100011713675 [0,3,0,0,0,0|1,0,0]=4 15378 B13R1.14 C=CC(=O)CCc1ccc(cc1)F 1458a_100000185746_100011217392 [0,3,0,0,0,0|1,0,0]=4 15379 B13R1.14 C=CC(=O)CCc1ccc(cc1)O 1458a_100000185746_100009816426 [0,3,0,0,0,0|1,0,0]=4 15380 B13R1.14 C=CC(C)OCc1ccc(cc1)Br 34a_100000695699_100000189115 [0,3,0,0,0,0|0,0,0]=3 15381 B13R1.14 C=CC(C)OCc1ccc(cc1)C 34a_100000695699_100000210814 [0,3,0,0,0,0|0,0,0]=3 15382 B13R1.14 C=CC(C)OCc1ccc(cc1)Cl 34a_100000695699_100000694040 [0,3,0,0,0,0|0,0,0]=3 15383 B13R1.14 C=CC(C)OCc1ccc(cc1)F 34a_100000695699_100000198546 [0,3,0,0,0,0|0,0,0]=3 15384 B13R1.14 C=CC(C)OCc1ccc(cc1)I 34a_100000695699_100000189116 [0,3,0,0,0,0|0,0,0]=3 15385 B13R1.14 C=CC(C)OCc1ccc(cn1)Br 34a_100000695699_100000702658 [0,3,0,0,0,0|1,0,0]=4 15386 B13R1.14 C=CC(C)OCc1ccc(cn1)C 34a_100000695699_100000691093 [0,3,0,0,0,0|1,0,0]=4 15387 B13R1.14 C=CC(C)OCc1ccc(cn1)Cl 34a_100000695699_100012066911 [0,3,0,0,0,0|1,0,0]=4 15388 B13R1.14 C=CC(C)OCc1ccc(cn1)F 34a_100000695699_100000703193 [0,3,0,0,0,0|1,0,0]=4 15389 B13R1.14 C=CC(C)OCc1ccc(nc1)Br 34a_100000695699_100009831999 [0,3,0,0,0,0|1,0,0]=4 15390 B13R1.14 C=CC(C)OCc1ccc(nc1)C 34a_100000695699_100016987292 [0,3,0,0,0,0|1,0,0]=4 15391 B13R1.14 C=CC(C)OCc1ccc(nc1)Cl 34a_100000695699_100000735431 [0,3,0,0,0,0|1,0,0]=4 15392 B13R1.14 C=CC(C)OCc1ccc(nc1)F 34a_100000695699_100000099788 [0,3,0,0,0,0|1,0,0]=4 15393 B13R1.14 C=CC(C)SCc1ccc(cc1)Br 62a_100011215867_100000189115 [0,3,0,0,0,0|0,1,0]=4 15394 B13R1.14 C=CC(C)SCc1ccc(cc1)C 62a_100011215867_100000210814 [0,3,0,0,0,0|0,1,0]=4 15395 B13R1.14 C=CC(C)SCc1ccc(cc1)Cl 62a_100011215867_100000187161 [0,3,0,0,0,0|0,1,0]=4 15396 B13R1.14 C=CC(C)SCc1ccc(cc1)F 62a_100011215867_100000187164 [0,3,0,0,0,0|0,1,0]=4 15397 B13R1.14 C=CC(C)SCc1ccc(cc1)I 62a_100011215867_100000189116 [0,3,0,0,0,0|0,1,0]=4 15398 B13R1.14 C=CC(O)CNc1ccc(cc1)Br 2230a_100000210018_100000730141 [0,3,0,0,0,0|1,0,0]=4 15399 B13R1.14 C=CC(O)CNc1ccc(cc1)Br 34a_100000210018_100000730141 [0,3,0,0,0,0|1,0,0]=4 15400 B13R1.14 C=CC(O)CNc1ccc(cc1)C 34a_100000124888_100000730141 [0,3,0,0,0,0|1,0,0]=4 15401 B13R1.14 C=CC(O)CNc1ccc(cc1)Cl 2230a_100000210052_100000730141 [0,3,0,0,0,0|1,0,0]=4 15402 B13R1.14 C=CC(O)CNc1ccc(cc1)Cl 34a_100000210052_100000730141 [0,3,0,0,0,0|1,0,0]=4 15403 B13R1.14 C=CC(O)CNc1ccc(cc1)F 34a_100000185862_100000730141 [0,3,0,0,0,0|1,0,0]=4 15404 B13R1.14 C=CC(O)CNc1ccc(cc1)I 34a_100000185761_100000730141 [0,3,0,0,0,0|1,0,0]=4 15405 B13R1.14 C=CC(O)CNc1ccc(cc1)O 34a_100000185829_100000730141 [0,3,0,0,0,0|1,0,0]=4 15406 B13R1.14 C=CC(O)COc1ccc(=O)[nH]c1 34a_100000075641_100000730141 [0,3,0,0,0,0|1,0,0]=4 15407 B13R1.14 C=CC(O)COc1ccc(cc1)Br 34a_100000185759_100000730141 [0,3,0,0,0,0|0,0,0]=3 15408 B13R1.14 C=CC(O)COc1ccc(cc1)Br 7a_100000185759_100000730141 [0,3,0,0,0,0|0,0,0]=3 15409 B13R1.14 C=CC(O)COc1ccc(cc1)C 34a_100000210336_100000730141 [0,3,0,0,0,0|0,0,0]=3 15410 B13R1.14 C=CC(O)COc1ccc(cc1)C 7a_100000210336_100000730141 [0,3,0,0,0,0|0,0,0]=3 15411 B13R1.14 C=CC(O)COc1ccc(cc1)Cl 34a_100000210216_100000730141 [0,3,0,0,0,0|0,0,0]=3 15412 B13R1.14 C=CC(O)COc1ccc(cc1)Cl 7a_100000210216_100000730141 [0,3,0,0,0,0|0,0,0]=3 15413 B13R1.14 C=CC(O)COc1ccc(cc1)F 34a_100000210339_100000730141 [0,3,0,0,0,0|0,0,0]=3 15414 B13R1.14 C=CC(O)COc1ccc(cc1)I 34a_100000212066_100000730141 [0,3,0,0,0,0|0,0,0]=3 15415 B13R1.14 C=CC(O)COc1ccc(cc1)I 7a_100000212066_100000730141 [0,3,0,0,0,0|0,0,0]=3 15416 B13R1.14 C=CC(O)COc1ccc(cc1)N 34a_100000185829_100000730141 [0,3,0,0,0,0|0,0,0]=3 15417 B13R1.14 C=CC(O)COc1ccc(cn1)C 34a_100000759353_100000730141 [0,3,0,0,0,0|1,0,0]=4 15418 B13R1.14 C=CC(O)COc1ccc(cn1)Cl 34a_100011215309_100000730141 [0,3,0,0,0,0|1,0,0]=4 15419 B13R1.14 C=CC(O)COc1ccc(cn1)F 34a_100000742473_100000730141 [0,3,0,0,0,0|1,0,0]=4 15420 B13R1.14 C=CC(O)COc1ccc(cn1)N 34a_100000729260_100000730141 [0,3,0,0,0,0|1,0,0]=4 15421 B13R1.14 C=CC(O)COc1ccc(nc1)Br 34a_100000685995_100000730141 [0,3,0,0,0,0|1,0,0]=4 15422 B13R1.14 C=CC(O)COc1ccc(nc1)Br 7a_100000685995_100000730141 [0,3,0,0,0,0|1,0,0]=4 15423 B13R1.14 C=CC(O)COc1ccc(nc1)C 34a_100000745506_100000730141 [0,3,0,0,0,0|1,0,0]=4 15424 B13R1.14 C=CC(O)COc1ccc(nc1)C 7a_100000745506_100000730141 [0,3,0,0,0,0|1,0,0]=4 15425 B13R1.14 C=CC(O)COc1ccc(nc1)Cl 34a_100000744096_100000730141 [0,3,0,0,0,0|1,0,0]=4 15426 B13R1.14 C=CC(O)COc1ccc(nc1)Cl 7a_100000744096_100000730141 [0,3,0,0,0,0|1,0,0]=4 15427 B13R1.14 C=CC(O)COc1ccc(nc1)F 34a_100000688820_100000730141 [0,3,0,0,0,0|1,0,0]=4 15428 B13R1.14 C=CC(O)COc1ccc(nc1)F 7a_100000688820_100000730141 [0,3,0,0,0,0|1,0,0]=4 15429 B13R1.14 C=CC(O)COc1ccc(nc1)I 34a_100000687607_100000730141 [0,3,0,0,0,0|1,0,0]=4 15430 B13R1.14 C=CC(O)COc1ccc(nc1)I 7a_100000687607_100000730141 [0,3,0,0,0,0|1,0,0]=4 15431 B13R1.14 C=CC(O)COc1ccc(nc1)N 34a_100015188713_100000730141 [0,3,0,0,0,0|1,0,0]=4 15432 B13R1.14 C=CC(O)COc1ccc(nc1)N 7a_100015188713_100000730141 [0,3,0,0,0,0|1,0,0]=4 15433 B13R1.14 C=CC(O)CSc1ccc(cc1)Br 62a_100000730141_100000752885 [0,3,0,0,0,0|0,1,0]=4 15434 B13R1.14 C=CC(O)CSc1ccc(cc1)Br 62a_100000752885_100000730141 [0,3,0,0,0,0|0,1,0]=4 15435 B13R1.14 C=CC(O)CSc1ccc(cc1)C 62a_100000186775_100000730141 [0,3,0,0,0,0|0,1,0]=4 15436 B13R1.14 C=CC(O)CSc1ccc(cc1)C 62a_100000730141_100000186775 [0,3,0,0,0,0|0,1,0]=4 15437 B13R1.14 C=CC(O)CSc1ccc(cc1)Cl 62a_100000730141_100000755918 [0,3,0,0,0,0|0,1,0]=4 15438 B13R1.14 C=CC(O)CSc1ccc(cc1)Cl 62a_100000755918_100000730141 [0,3,0,0,0,0|0,1,0]=4 15439 B13R1.14 C=CC(O)CSc1ccc(cc1)F 62a_100000211213_100000730141 [0,3,0,0,0,0|0,1,0]=4 15440 B13R1.14 C=CC(O)CSc1ccc(cc1)F 62a_100000730141_100000211213 [0,3,0,0,0,0|0,1,0]=4 15441 B13R1.14 C=CC(O)CSc1ccc(cc1)N 62a_100000185761_100000730141 [0,3,0,0,0,0|0,1,0]=4 15442 B13R1.14 C=CC(O)CSc1ccc(cc1)N 62a_100000730141_100000185761 [0,3,0,0,0,0|0,1,0]=4 15443 B13R1.14 C=CC(O)CSc1ccc(cc1)O 62a_100000730141_100000185759 [0,3,0,0,0,0|0,1,0]=4 15444 B13R1.14 CCC(=O)COc1ccc(cc1)Br 1458a_100000182358_100000210202 [0,3,0,0,0,0|0,0,1]=4 15445 B13R1.14 CCC(=O)COc1ccc(cc1)Br 7a_100000185759_100000747405 [0,3,0,0,0,0|0,0,1]=4 15446 B13R1.14 CCC(=O)COc1ccc(cc1)C 1458a_100000182360_100000210202 [0,3,0,0,0,0|0,0,1]=4 15447 B13R1.14 CCC(=O)COc1ccc(cc1)C 7a_100000210336_100000747405 [0,3,0,0,0,0|0,0,1]=4 15448 B13R1.14 CCC(=O)COc1ccc(cc1)Cl 1458a_100016990877_100000210202 [0,3,0,0,0,0|0,0,1]=4 15449 B13R1.14 CCC(=O)COc1ccc(cc1)Cl 7a_100000210216_100000747405 [0,3,0,0,0,0|0,0,1]=4 15450 B13R1.14 CCC(=O)COc1ccc(cc1)F 1458a_100000184765_100000210202 [0,3,0,0,0,0|0,0,1]=4 15451 B13R1.14 CCC(=O)COc1ccc(cc1)I 1458a_100000184369_100000210202 [0,3,0,0,0,0|0,0,1]=4 15452 B13R1.14 CCC(=O)COc1ccc(cc1)I 7a_100000212066_100000747405 [0,3,0,0,0,0|0,0,1]=4 15453 B13R1.14 CCC(=O)COc1ccc(cc1)O 1458a_100000031633_100000210202 [0,3,0,0,0,0|0,0,1]=4 15454 B13R1.14 CNC(=O)COc1ccc(cc1)Br 11a_106832991635_100000182358 [0,3,0,0,0,0|0,0,1]=4 15455 B13R1.14 CNC(=O)COc1ccc(cc1)Br 1626a_100102657272_100000182358 [0,3,0,0,0,0|0,0,1]=4 15456 B13R1.14 CNC(=O)COc1ccc(cc1)Br 240690a_100102657272_100000182358 [0,3,0,0,0,0|0,0,1]=4 15457 B13R1.14 CNC(=O)COc1ccc(cc1)Br 34a_100000185759_100000183359 [0,3,0,0,0,0|0,0,1]=4 15458 B13R1.14 CNC(=O)COc1ccc(cc1)Br 527a_100102657272_100000182358 [0,3,0,0,0,0|0,0,1]=4 15459 B13R1.14 CNC(=O)COc1ccc(cc1)Br 7a_100000185759_100000183359 [0,3,0,0,0,0|0,0,1]=4 15460 B13R1.14 CNC(=O)COc1ccc(cc1)C 11a_106832991635_100000182360 [0,3,0,0,0,0|0,0,1]=4 15461 B13R1.14 CNC(=O)COc1ccc(cc1)C 1626a_100102657272_100000182360 [0,3,0,0,0,0|0,0,1]=4 15462 B13R1.14 CNC(=O)COc1ccc(cc1)C 240690a_100102657272_100000182360 [0,3,0,0,0,0|0,0,1]=4 15463 B13R1.14 CNC(=O)COc1ccc(cc1)C 34a_100000210336_100000183359 [0,3,0,0,0,0|0,0,1]=4 15464 B13R1.14 CNC(=O)COc1ccc(cc1)C 527a_100102657272_100000182360 [0,3,0,0,0,0|0,0,1]=4 15465 B13R1.14 CNC(=O)COc1ccc(cc1)C 7a_100000210336_100000183359 [0,3,0,0,0,0|0,0,1]=4 15466 B13R1.14 CNC(=O)COc1ccc(cc1)Cl 11a_106832991635_100016990877 [0,3,0,0,0,0|0,0,1]=4 15467 B13R1.14 CNC(=O)COc1ccc(cc1)Cl 1626a_100102657272_100016990877 [0,3,0,0,0,0|0,0,1]=4 15468 B13R1.14 CNC(=O)COc1ccc(cc1)Cl 240690a_100102657272_100016990877 [0,3,0,0,0,0|0,0,1]=4 15469 B13R1.14 CNC(=O)COc1ccc(cc1)Cl 34a_100000210216_100000183359 [0,3,0,0,0,0|0,0,1]=4 15470 B13R1.14 CNC(=O)COc1ccc(cc1)Cl 527a_100102657272_100016990877 [0,3,0,0,0,0|0,0,1]=4 15471 B13R1.14 CNC(=O)COc1ccc(cc1)Cl 7a_100000210216_100000183359 [0,3,0,0,0,0|0,0,1]=4 15472 B13R1.14 CNC(=O)COc1ccc(cc1)F 11a_106832991635_100000184765 [0,3,0,0,0,0|0,0,1]=4 15473 B13R1.14 CNC(=O)COc1ccc(cc1)F 1626a_100102657272_100000184765 [0,3,0,0,0,0|0,0,1]=4 15474 B13R1.14 CNC(=O)COc1ccc(cc1)F 240690a_100102657272_100000184765 [0,3,0,0,0,0|0,0,1]=4 15475 B13R1.14 CNC(=O)COc1ccc(cc1)F 34a_100000210339_100000183359 [0,3,0,0,0,0|0,0,1]=4 15476 B13R1.14 CNC(=O)COc1ccc(cc1)F 527a_100102657272_100000184765 [0,3,0,0,0,0|0,0,1]=4 15477 B13R1.14 CNC(=O)COc1ccc(cc1)I 11a_106832991635_100000184369 [0,3,0,0,0,0|0,0,1]=4 15478 B13R1.14 CNC(=O)COc1ccc(cc1)I 1626a_100102657272_100000184369 [0,3,0,0,0,0|0,0,1]=4 15479 B13R1.14 CNC(=O)COc1ccc(cc1)I 240690a_100102657272_100000184369 [0,3,0,0,0,0|0,0,1]=4 15480 B13R1.14 CNC(=O)COc1ccc(cc1)I 34a_100000212066_100000183359 [0,3,0,0,0,0|0,0,1]=4 15481 B13R1.14 CNC(=O)COc1ccc(cc1)I 527a_100102657272_100000184369 [0,3,0,0,0,0|0,0,1]=4 15482 B13R1.14 CNC(=O)COc1ccc(cc1)I 7a_100000212066_100000183359 [0,3,0,0,0,0|0,0,1]=4 15483 B13R1.14 CNC(=O)COc1ccc(cc1)N 34a_100000185829_100000183359 [0,3,0,0,0,0|0,0,1]=4 15484 B13R1.14 CNC(=O)COc1ccc(cc1)O 240690a_100102657272_100000031633 [0,3,0,0,0,0|0,0,1]=4 15485 B13R1.14 CNC(=O)COc1ccc(cc1)O 271570a_203496583355_200000150405 [0,3,0,0,0,0|0,0,1]=4 15486 B13R1.14 CNC(=O)COc1ccc(cc1)O 527a_100102657272_100000031633 [0,3,0,0,0,0|0,0,1]=4 15487 B13R1.14 COC(=O)COc1ccc(cc1)Br 34a_100000185759_100000747449 [0,3,0,0,0,0|0,0,1]=4 15488 B13R1.14 COC(=O)COc1ccc(cc1)Br 7a_100000185759_100000747449 [0,3,0,0,0,0|0,0,1]=4 15489 B13R1.14 COC(=O)COc1ccc(cc1)C 34a_100000210336_100000747449 [0,3,0,0,0,0|0,0,1]=4 15490 B13R1.14 COC(=O)COc1ccc(cc1)C 7a_100000210336_100000747449 [0,3,0,0,0,0|0,0,1]=4 15491 B13R1.14 COC(=O)COc1ccc(cc1)Cl 34a_100000210216_100000747449 [0,3,0,0,0,0|0,0,1]=4 15492 B13R1.14 COC(=O)COc1ccc(cc1)Cl 7a_100000210216_100000747449 [0,3,0,0,0,0|0,0,1]=4 15493 B13R1.14 COC(=O)COc1ccc(cc1)F 34a_100000210339_100000747449 [0,3,0,0,0,0|0,0,1]=4 15494 B13R1.14 COC(=O)COc1ccc(cc1)I 34a_100000212066_100000747449 [0,3,0,0,0,0|0,0,1]=4 15495 B13R1.14 COC(=O)COc1ccc(cc1)I 7a_100000212066_100000747449 [0,3,0,0,0,0|0,0,1]=4 15496 B13R1.14 COC(=O)COc1ccc(cc1)N 34a_100000185829_100000747449 [0,3,0,0,0,0|0,0,1]=4 15497 B13R1.14 COC(=O)COc1ccc(cc1)O 271570a_203496583355_100000149925 [0,3,0,0,0,0|0,0,1]=4 15498 B13R1.14 Cc1ccc(cc1)OCC(=O)CF 1458a_100000182360_100015361967 [0,3,0,0,0,0|0,0,1]=4 15499 B13R1.14 NNC(=O)COc1ccc(cc1)O 271570a_203496583355_100000182278 [0,3,0,0,0,0|1,0,0]=4 15500 B13R1.14 O=C(CF)COc1ccc(cc1)Br 1458a_100000182358_100015361967 [0,3,0,0,0,0|0,0,1]=4 15501 B13R1.14 O=C(CF)COc1ccc(cc1)Cl 1458a_100016990877_100015361967 [0,3,0,0,0,0|0,0,1]=4 15502 B13R1.14 O=C(CF)COc1ccc(cc1)F 1458a_100000184765_100015361967 [0,3,0,0,0,0|0,0,1]=4 15503 B13R1.14 O=C(CF)COc1ccc(cc1)I 1458a_100000184369_100015361967 [0,3,0,0,0,0|0,0,1]=4 15504 B13R1.14 O=C(CF)COc1ccc(cc1)O 1458a_100000031633_100015361967 [0,3,0,0,0,0|0,0,1]=4 15505 B13R1.17 C/C=C/CC(=O)c1ccc(cc1)Br 1458a_100000185839_100102629194 [0,3,0,0,0,0|1,0,0]=4 15506 B13R1.17 C/C=C/CC(=O)c1ccc(cc1)C 1458a_100000188618_100102629194 [0,3,0,0,0,0|1,0,0]=4 15507 B13R1.17 C/C=C/CC(=O)c1ccc(cc1)Cl 1458a_100000210187_100102629194 [0,3,0,0,0,0|1,0,0]=4 15508 B13R1.17 C/C=C/CC(=O)c1ccc(cc1)F 1458a_100000187176_100102629194 [0,3,0,0,0,0|1,0,0]=4 15509 B13R1.17 C/C=C/CC(=O)c1ccc(cc1)I 1458a_100000187904_100102629194 [0,3,0,0,0,0|1,0,0]=4 15510 B13R1.17 C/C=C/CC(=O)c1ccc(cc1)O 1458a_100000212099_100102629194 [0,3,0,0,0,0|1,0,0]=4 15511 B13R1.17 C/C=C/CN(C)c1ccc(cc1)Br 269982a_100000219623_100102629194 [0,3,0,0,0,0|1,0,0]=4 15512 B13R1.17 C/C=C/CN(C)c1ccc(cc1)Br 34a_100000219623_100102629194 [0,3,0,0,0,0|1,0,0]=4 15513 B13R1.17 C/C=C/CN(C)c1ccc(cc1)C 269982a_100000219977_100102629194 [0,3,0,0,0,0|1,0,0]=4 15514 B13R1.17 C/C=C/CN(C)c1ccc(cc1)C 34a_100000219977_100102629194 [0,3,0,0,0,0|1,0,0]=4 15515 B13R1.17 C/C=C/CN(C)c1ccc(cc1)Cl 269982a_100020629279_100102629194 [0,3,0,0,0,0|1,0,0]=4 15516 B13R1.17 C/C=C/CN(C)c1ccc(cc1)Cl 34a_100020629279_100102629194 [0,3,0,0,0,0|1,0,0]=4 15517 B13R1.17 C/C=C/CN(C)c1ccc(cc1)F 269982a_100000219829_100102629194 [0,3,0,0,0,0|1,0,0]=4 15518 B13R1.17 C/C=C/CN(C)c1ccc(cc1)F 34a_100000219829_100102629194 [0,3,0,0,0,0|1,0,0]=4 15519 B13R1.17 C/C=C/CN(C)c1ccc(cc1)I 269982a_100000743151_100102629194 [0,3,0,0,0,0|1,0,0]=4 15520 B13R1.17 C/C=C/CN(C)c1ccc(cc1)I 34a_100000743151_100102629194 [0,3,0,0,0,0|1,0,0]=4 15521 B13R1.17 C/C=C/CN(C)c1ccc(cc1)O 269982a_100000182112_100102629194 [0,3,0,0,0,0|1,0,0]=4 15522 B13R1.17 C/C=C/CN(C)c1ccc(cc1)O 34a_100000182112_100102629194 [0,3,0,0,0,0|1,0,0]=4 15523 B13R1.17 C=CCCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000754431 [0,3,0,0,0,0|1,0,0]=4 15524 B13R1.17 C=CCCC(=O)c1ccc(cc1)C 1458a_100000188618_100000754431 [0,3,0,0,0,0|1,0,0]=4 15525 B13R1.17 C=CCCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000754431 [0,3,0,0,0,0|1,0,0]=4 15526 B13R1.17 C=CCCC(=O)c1ccc(cc1)F 1458a_100000187176_100000754431 [0,3,0,0,0,0|1,0,0]=4 15527 B13R1.17 C=CCCC(=O)c1ccc(cc1)I 1458a_100000187904_100000754431 [0,3,0,0,0,0|1,0,0]=4 15528 B13R1.17 C=CCCC(=O)c1ccc(cc1)O 1458a_100000212099_100000754431 [0,3,0,0,0,0|1,0,0]=4 15529 B13R1.17 C=CCCC(=O)c1ccc(cc1)O 271570a_203496583355_200012050250 [0,3,0,0,0,0|1,0,0]=4 15530 B13R1.17 C=CCCC(O)c1ccc(cc1)O 271570a_203496583355_200012050447 [0,3,0,0,0,0|1,0,0]=4 15531 B13R1.17 C=CCCN(C)c1ccc(cc1)Br 2230a_100000219623_100000754431 [0,3,0,0,0,0|1,0,0]=4 15532 B13R1.17 C=CCCN(C)c1ccc(cc1)Br 269982a_100000219623_100000754431 [0,3,0,0,0,0|1,0,0]=4 15533 B13R1.17 C=CCCN(C)c1ccc(cc1)Br 34a_100000219623_100000754431 [0,3,0,0,0,0|1,0,0]=4 15534 B13R1.17 C=CCCN(C)c1ccc(cc1)C 2230a_100000219977_100000754431 [0,3,0,0,0,0|1,0,0]=4 15535 B13R1.17 C=CCCN(C)c1ccc(cc1)C 269982a_100000219977_100000754431 [0,3,0,0,0,0|1,0,0]=4 15536 B13R1.17 C=CCCN(C)c1ccc(cc1)C 34a_100000219977_100000754431 [0,3,0,0,0,0|1,0,0]=4 15537 B13R1.17 C=CCCN(C)c1ccc(cc1)Cl 2230a_100020629279_100000754431 [0,3,0,0,0,0|1,0,0]=4 15538 B13R1.17 C=CCCN(C)c1ccc(cc1)Cl 269982a_100020629279_100000754431 [0,3,0,0,0,0|1,0,0]=4 15539 B13R1.17 C=CCCN(C)c1ccc(cc1)Cl 34a_100020629279_100000754431 [0,3,0,0,0,0|1,0,0]=4 15540 B13R1.17 C=CCCN(C)c1ccc(cc1)F 2230a_100000219829_100000754431 [0,3,0,0,0,0|1,0,0]=4 15541 B13R1.17 C=CCCN(C)c1ccc(cc1)F 269982a_100000219829_100000754431 [0,3,0,0,0,0|1,0,0]=4 15542 B13R1.17 C=CCCN(C)c1ccc(cc1)F 34a_100000219829_100000754431 [0,3,0,0,0,0|1,0,0]=4 15543 B13R1.17 C=CCCN(C)c1ccc(cc1)I 2230a_100000743151_100000754431 [0,3,0,0,0,0|1,0,0]=4 15544 B13R1.17 C=CCCN(C)c1ccc(cc1)I 269982a_100000743151_100000754431 [0,3,0,0,0,0|1,0,0]=4 15545 B13R1.17 C=CCCN(C)c1ccc(cc1)I 34a_100000743151_100000754431 [0,3,0,0,0,0|1,0,0]=4 15546 B13R1.17 C=CCCN(C)c1ccc(cc1)O 269982a_100000182112_100000754431 [0,3,0,0,0,0|1,0,0]=4 15547 B13R1.17 C=CCCN(C)c1ccc(cc1)O 34a_100000182112_100000754431 [0,3,0,0,0,0|1,0,0]=4 15548 B13R1.17 C=CCNC(=O)c1ccc(cc1)Br 1626a_100020586998_100000185839 [0,3,0,0,0,0|1,0,0]=4 15549 B13R1.17 C=CCNC(=O)c1ccc(cc1)Br 240690a_100020586998_100000185839 [0,3,0,0,0,0|1,0,0]=4 15550 B13R1.17 C=CCNC(=O)c1ccc(cc1)Br 527a_100020586998_100000185839 [0,3,0,0,0,0|1,0,0]=4 15551 B13R1.17 C=CCNC(=O)c1ccc(cc1)C 1626a_100020586998_100000188618 [0,3,0,0,0,0|1,0,0]=4 15552 B13R1.17 C=CCNC(=O)c1ccc(cc1)C 240690a_100020586998_100000188618 [0,3,0,0,0,0|1,0,0]=4 15553 B13R1.17 C=CCNC(=O)c1ccc(cc1)C 527a_100020586998_100000188618 [0,3,0,0,0,0|1,0,0]=4 15554 B13R1.17 C=CCNC(=O)c1ccc(cc1)Cl 1626a_100020586998_100000210187 [0,3,0,0,0,0|1,0,0]=4 15555 B13R1.17 C=CCNC(=O)c1ccc(cc1)Cl 240690a_100020586998_100000210187 [0,3,0,0,0,0|1,0,0]=4 15556 B13R1.17 C=CCNC(=O)c1ccc(cc1)Cl 527a_100020586998_100000210187 [0,3,0,0,0,0|1,0,0]=4 15557 B13R1.17 C=CCNC(=O)c1ccc(cc1)F 1626a_100020586998_100000187176 [0,3,0,0,0,0|1,0,0]=4 15558 B13R1.17 C=CCNC(=O)c1ccc(cc1)F 240690a_100020586998_100000187176 [0,3,0,0,0,0|1,0,0]=4 15559 B13R1.17 C=CCNC(=O)c1ccc(cc1)F 527a_100020586998_100000187176 [0,3,0,0,0,0|1,0,0]=4 15560 B13R1.17 C=CCNC(=O)c1ccc(cc1)I 1626a_100020586998_100000187904 [0,3,0,0,0,0|1,0,0]=4 15561 B13R1.17 C=CCNC(=O)c1ccc(cc1)I 240690a_100020586998_100000187904 [0,3,0,0,0,0|1,0,0]=4 15562 B13R1.17 C=CCNC(=O)c1ccc(cc1)I 527a_100020586998_100000187904 [0,3,0,0,0,0|1,0,0]=4 15563 B13R1.17 C=CCNC(=O)c1ccc(cc1)O 240690a_100020586998_100000212099 [0,3,0,0,0,0|1,0,0]=4 15564 B13R1.17 C=CCNC(=O)c1ccc(cc1)O 527a_100020586998_100000212099 [0,3,0,0,0,0|1,0,0]=4 15565 B13R1.17 C=CCNC(C)c1ccc(cc1)Br 2230a_100020586998_100000755118 [0,3,0,0,0,0|1,0,0]=4 15566 B13R1.17 C=CCNC(C)c1ccc(cc1)C 2230a_100020586998_100011261388 [0,3,0,0,0,0|1,0,0]=4 15567 B13R1.17 C=CCNC(C)c1ccc(cc1)Cl 2230a_100020586998_100000684792 [0,3,0,0,0,0|1,0,0]=4 15568 B13R1.17 C=CCNC(C)c1ccc(cc1)F 2230a_100020586998_100000743420 [0,3,0,0,0,0|1,0,0]=4 15569 B13R1.17 C=CCN[C@@H](C)c1ccc(cc1)F 2230a_100025705893_100000210623 [0,3,0,0,0,0|1,0,0]=4 15570 B13R1.17 C=CCN[C@@H](C)c1ccc(cc1)F 34a_100025705893_100015514636 [0,3,0,0,0,0|1,0,0]=4 15571 B13R1.17 C=CCN[C@@H](C)c1ccc(cc1)I 2230a_100000753911_100000210623 [0,3,0,0,0,0|1,0,0]=4 15572 B13R1.17 C=CCN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_100000210623 [0,3,0,0,0,0|1,0,0]=4 15573 B13R1.17 C=CCN[C@H](C)c1ccc(cc1)Br 2230a_100000720352_100000210623 [0,3,0,0,0,0|1,0,0]=4 15574 B13R1.17 C=CCN[C@H](C)c1ccc(cc1)C 2230a_100016988085_100000210623 [0,3,0,0,0,0|1,0,0]=4 15575 B13R1.17 C=CCN[C@H](C)c1ccc(cc1)C 34a_100016988085_100015514636 [0,3,0,0,0,0|1,0,0]=4 15576 B13R1.17 C=CCN[C@H](C)c1ccc(cc1)Cl 2230a_100015205461_100000210623 [0,3,0,0,0,0|1,0,0]=4 15577 B13R1.17 C=CCN[C@H](C)c1ccc(cc1)Cl 34a_100015205461_100015514636 [0,3,0,0,0,0|1,0,0]=4 15578 B13R1.17 C=CCOC(C)c1ccc(cc1)Br 34a_100000745893_100015514636 [0,3,0,0,0,0|0,0,0]=3 15579 B13R1.17 C=CCOC(C)c1ccc(cc1)Br 34a_200000210373_100000755118 [0,3,0,0,0,0|0,0,0]=3 15580 B13R1.17 C=CCOC(C)c1ccc(cc1)Br 7a_100000745893_100015514636 [0,3,0,0,0,0|0,0,0]=3 15581 B13R1.17 C=CCOC(C)c1ccc(cc1)C 34a_200000210373_100011261388 [0,3,0,0,0,0|0,0,0]=3 15582 B13R1.17 C=CCOC(C)c1ccc(cc1)F 34a_100000181323_100015514636 [0,3,0,0,0,0|0,0,0]=3 15583 B13R1.17 C=CCOC(C)c1ccc(cc1)F 34a_200000210373_100000743420 [0,3,0,0,0,0|0,0,0]=3 15584 B13R1.17 C=CCOC(C)c1ccc(cc1)F 7a_100000181323_100015514636 [0,3,0,0,0,0|0,0,0]=3 15585 B13R1.17 C=CCOC(C)c1ccc(cc1)N 34a_100011216399_100015514636 [0,3,0,0,0,0|0,0,0]=3 15586 B13R1.17 C=CCOC(C)c1ccc(cn1)Br 34a_100012353650_100015514636 [0,3,0,0,0,0|1,0,0]=4 15587 B13R1.17 C=CCOC(C)c1ccc(cn1)Br 7a_100012353650_100015514636 [0,3,0,0,0,0|1,0,0]=4 15588 B13R1.17 C=CCOC(C)c1ccc(nc1)Br 34a_200010274204_100015514636 [0,3,0,0,0,0|1,0,0]=4 15589 B13R1.17 C=CCOC(C)c1ccc(nc1)Br 7a_200010274204_100015514636 [0,3,0,0,0,0|1,0,0]=4 15590 B13R1.17 C=CCOC(C)c1ccc(nc1)C 34a_200011815720_100015514636 [0,3,0,0,0,0|1,0,0]=4 15591 B13R1.17 C=CCOC(C)c1ccc(nc1)C 7a_200011815720_100015514636 [0,3,0,0,0,0|1,0,0]=4 15592 B13R1.17 C=CCOC(C)c1ccc(nc1)Cl 34a_200012017543_100015514636 [0,3,0,0,0,0|1,0,0]=4 15593 B13R1.17 C=CCOC(C)c1ccc(nc1)Cl 7a_200012017543_100015514636 [0,3,0,0,0,0|1,0,0]=4 15594 B13R1.17 C=CCO[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_100015514636 [0,3,0,0,0,0|0,0,0]=3 15595 B13R1.17 C=CCO[C@@H](C)c1ccc(cc1)Cl 7a_100011852131_100015514636 [0,3,0,0,0,0|0,0,0]=3 15596 B13R1.17 C=CCO[C@H](C)c1ccc(cc1)C 34a_100000690690_100015514636 [0,3,0,0,0,0|0,0,0]=3 15597 B13R1.17 C=CCO[C@H](C)c1ccc(cc1)C 7a_100000690690_100015514636 [0,3,0,0,0,0|0,0,0]=3 15598 B13R1.17 C=CCSC(C)c1ccc(cc1)Br 62a_100000210623_100000755118 [0,3,0,0,0,0|0,1,0]=4 15599 B13R1.17 C=CCSC(C)c1ccc(cc1)Br 62a_100000755118_100000210623 [0,3,0,0,0,0|0,1,0]=4 15600 B13R1.17 C=CCSC(C)c1ccc(cc1)C 62a_100000210623_100011261388 [0,3,0,0,0,0|0,1,0]=4 15601 B13R1.17 C=CCSC(C)c1ccc(cc1)C 62a_100011261388_100000210623 [0,3,0,0,0,0|0,1,0]=4 15602 B13R1.17 C=CCSC(C)c1ccc(cc1)Cl 62a_100000210623_100000684792 [0,3,0,0,0,0|0,1,0]=4 15603 B13R1.17 C=CCSC(C)c1ccc(cc1)Cl 62a_100000684792_100000210623 [0,3,0,0,0,0|0,1,0]=4 15604 B13R1.17 C=CCSC(C)c1ccc(cc1)F 62a_100000210623_100000743420 [0,3,0,0,0,0|0,1,0]=4 15605 B13R1.17 C=CCSC(C)c1ccc(cc1)F 62a_100000743420_100000210623 [0,3,0,0,0,0|0,1,0]=4 15606 B13R1.17 CC(OCC=O)c1ccc(cc1)Br 34a_100000745893_200009817547 [0,3,0,0,0,0|1,0,0]=4 15607 B13R1.17 CC(OCC=O)c1ccc(cc1)Br 7a_100000745893_200015260668 [0,3,0,0,0,0|1,0,0]=4 15608 B13R1.17 CC(OCC=O)c1ccc(cc1)F 34a_100000181323_200009817547 [0,3,0,0,0,0|1,0,0]=4 15609 B13R1.17 CC(OCC=O)c1ccc(cc1)F 7a_100000181323_200015260668 [0,3,0,0,0,0|1,0,0]=4 15610 B13R1.17 CC(OCC=O)c1ccc(cc1)N 34a_100011216399_200009817547 [0,3,0,0,0,0|1,0,0]=4 15611 B13R1.17 CC=CCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000070051 [0,3,0,0,0,0|1,0,0]=4 15612 B13R1.17 CC=CCC(=O)c1ccc(cc1)C 1458a_100000188618_100000070051 [0,3,0,0,0,0|1,0,0]=4 15613 B13R1.17 CC=CCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000070051 [0,3,0,0,0,0|1,0,0]=4 15614 B13R1.17 CC=CCC(=O)c1ccc(cc1)F 1458a_100000187176_100000070051 [0,3,0,0,0,0|1,0,0]=4 15615 B13R1.17 CC=CCC(=O)c1ccc(cc1)I 1458a_100000187904_100000070051 [0,3,0,0,0,0|1,0,0]=4 15616 B13R1.17 CC=CCC(=O)c1ccc(cc1)O 1458a_100000212099_100000070051 [0,3,0,0,0,0|1,0,0]=4 15617 B13R1.17 CC=CCN(C)c1ccc(cc1)Br 2230a_100000219623_100000070051 [0,3,0,0,0,0|1,0,0]=4 15618 B13R1.17 CC=CCN(C)c1ccc(cc1)Br 34a_100000219623_100000070051 [0,3,0,0,0,0|1,0,0]=4 15619 B13R1.17 CC=CCN(C)c1ccc(cc1)C 2230a_100000219977_100000070051 [0,3,0,0,0,0|1,0,0]=4 15620 B13R1.17 CC=CCN(C)c1ccc(cc1)C 34a_100000219977_100000070051 [0,3,0,0,0,0|1,0,0]=4 15621 B13R1.17 CC=CCN(C)c1ccc(cc1)Cl 2230a_100020629279_100000070051 [0,3,0,0,0,0|1,0,0]=4 15622 B13R1.17 CC=CCN(C)c1ccc(cc1)Cl 34a_100020629279_100000070051 [0,3,0,0,0,0|1,0,0]=4 15623 B13R1.17 CC=CCN(C)c1ccc(cc1)F 2230a_100000219829_100000070051 [0,3,0,0,0,0|1,0,0]=4 15624 B13R1.17 CC=CCN(C)c1ccc(cc1)F 34a_100000219829_100000070051 [0,3,0,0,0,0|1,0,0]=4 15625 B13R1.17 CC=CCN(C)c1ccc(cc1)I 2230a_100000743151_100000070051 [0,3,0,0,0,0|1,0,0]=4 15626 B13R1.17 CC=CCN(C)c1ccc(cc1)I 34a_100000743151_100000070051 [0,3,0,0,0,0|1,0,0]=4 15627 B13R1.17 CC=CCN(C)c1ccc(cc1)O 34a_100000182112_100000070051 [0,3,0,0,0,0|1,0,0]=4 15628 B13R1.17 C[C@H](OCC=O)c1ccc(cc1)Cl 34a_100011852131_200009817547 [0,3,0,0,0,0|1,0,0]=4 15629 B13R1.17 C[C@H](OCC=O)c1ccc(cc1)Cl 7a_100011852131_200015260668 [0,3,0,0,0,0|1,0,0]=4 15630 B13R1.17 Cc1ccc(cc1)[C@@H](C)OCC=O 34a_100000690690_200009817547 [0,3,0,0,0,0|1,0,0]=4 15631 B13R1.17 Cc1ccc(cc1)[C@@H](C)OCC=O 7a_100000690690_200015260668 [0,3,0,0,0,0|1,0,0]=4 15632 B13R1.17 [2H]C(OCC=C)c1ccc(cc1)F 34a_217856618577_100015514636 [0,3,0,0,0,0|0,0,0]=3 15633 B13R1.17 [2H]C(OCC=C)c1ccc(cc1)F 7a_217856618577_100015514636 [0,3,0,0,0,0|0,0,0]=3 15634 B13R1.17 [2H]C(OCC=O)c1ccc(cc1)F 34a_217856618577_200009817547 [0,3,0,0,0,0|1,0,0]=4 15635 B13R1.17 [2H]C(OCC=O)c1ccc(cc1)F 7a_217856618577_200015260668 [0,3,0,0,0,0|1,0,0]=4 15636 B13R1.19 C=CCC(=O)Cc1ccc(cc1)Br 1458a_100000198978_100000210623 [0,3,0,0,0,0|1,0,0]=4 15637 B13R1.19 C=CCC(=O)Cc1ccc(cc1)Br 1458a_100000210193_100000189115 [0,3,0,0,0,0|1,0,0]=4 15638 B13R1.19 C=CCC(=O)Cc1ccc(cc1)C 1458a_100000210193_100000210814 [0,3,0,0,0,0|1,0,0]=4 15639 B13R1.19 C=CCC(=O)Cc1ccc(cc1)C 1458a_100000212244_100000210623 [0,3,0,0,0,0|1,0,0]=4 15640 B13R1.19 C=CCC(=O)Cc1ccc(cc1)Cl 1458a_100000210193_100000694040 [0,3,0,0,0,0|1,0,0]=4 15641 B13R1.19 C=CCC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_100000210623 [0,3,0,0,0,0|1,0,0]=4 15642 B13R1.19 C=CCC(=O)Cc1ccc(cc1)F 1458a_100000210193_100000198546 [0,3,0,0,0,0|1,0,0]=4 15643 B13R1.19 C=CCC(=O)Cc1ccc(cc1)F 1458a_100000210951_100000210623 [0,3,0,0,0,0|1,0,0]=4 15644 B13R1.19 C=CCC(=O)Cc1ccc(cc1)I 1458a_100000210193_100000189116 [0,3,0,0,0,0|1,0,0]=4 15645 B13R1.19 C=CCC(=O)Cc1ccc(cc1)I 1458a_100000688869_100000210623 [0,3,0,0,0,0|1,0,0]=4 15646 B13R1.19 C=CCC(=O)Cc1ccc(cc1)O 1458a_100000198540_100000210623 [0,3,0,0,0,0|1,0,0]=4 15647 B13R1.19 C=CCC(=O)Nc1ccc(cc1)Br 11a_100000210018_100000210193 [0,3,0,0,0,0|1,0,0]=4 15648 B13R1.19 C=CCC(=O)Nc1ccc(cc1)Br 1626a_100000210018_100000210193 [0,3,0,0,0,0|1,0,0]=4 15649 B13R1.19 C=CCC(=O)Nc1ccc(cc1)Br 22a_100000210018_100000210193 [0,3,0,0,0,0|1,0,0]=4 15650 B13R1.19 C=CCC(=O)Nc1ccc(cc1)Br 527a_100000210018_100000210193 [0,3,0,0,0,0|1,0,0]=4 15651 B13R1.19 C=CCC(=O)Nc1ccc(cc1)C 11a_100000124888_100000210193 [0,3,0,0,0,0|1,0,0]=4 15652 B13R1.19 C=CCC(=O)Nc1ccc(cc1)C 1626a_100000124888_100000210193 [0,3,0,0,0,0|1,0,0]=4 15653 B13R1.19 C=CCC(=O)Nc1ccc(cc1)C 22a_100000124888_100000210193 [0,3,0,0,0,0|1,0,0]=4 15654 B13R1.19 C=CCC(=O)Nc1ccc(cc1)C 527a_100000124888_100000210193 [0,3,0,0,0,0|1,0,0]=4 15655 B13R1.19 C=CCC(=O)Nc1ccc(cc1)Cl 11a_100000210052_100000210193 [0,3,0,0,0,0|1,0,0]=4 15656 B13R1.19 C=CCC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100000210193 [0,3,0,0,0,0|1,0,0]=4 15657 B13R1.19 C=CCC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000210193 [0,3,0,0,0,0|1,0,0]=4 15658 B13R1.19 C=CCC(=O)Nc1ccc(cc1)Cl 527a_100000210052_100000210193 [0,3,0,0,0,0|1,0,0]=4 15659 B13R1.19 C=CCC(=O)Nc1ccc(cc1)F 11a_100000185862_100000210193 [0,3,0,0,0,0|1,0,0]=4 15660 B13R1.19 C=CCC(=O)Nc1ccc(cc1)F 1626a_100000185862_100000210193 [0,3,0,0,0,0|1,0,0]=4 15661 B13R1.19 C=CCC(=O)Nc1ccc(cc1)F 22a_100000185862_100000210193 [0,3,0,0,0,0|1,0,0]=4 15662 B13R1.19 C=CCC(=O)Nc1ccc(cc1)F 527a_100000185862_100000210193 [0,3,0,0,0,0|1,0,0]=4 15663 B13R1.19 C=CCC(=O)Nc1ccc(cc1)I 11a_100000185761_100000210193 [0,3,0,0,0,0|1,0,0]=4 15664 B13R1.19 C=CCC(=O)Nc1ccc(cc1)I 1626a_100000185761_100000210193 [0,3,0,0,0,0|1,0,0]=4 15665 B13R1.19 C=CCC(=O)Nc1ccc(cc1)I 22a_100000185761_100000210193 [0,3,0,0,0,0|1,0,0]=4 15666 B13R1.19 C=CCC(=O)Nc1ccc(cc1)I 527a_100000185761_100000210193 [0,3,0,0,0,0|1,0,0]=4 15667 B13R1.19 C=CCC(=O)Nc1ccc(cc1)O 22a_100000185829_100000210193 [0,3,0,0,0,0|1,0,0]=4 15668 B13R1.19 C=CCN(C)Cc1ccc(cc1)Br 2230a_100000180866_100000210623 [0,3,0,0,0,0|1,0,0]=4 15669 B13R1.19 C=CCN(C)Cc1ccc(cc1)Br 2230a_100000196220_200000210301 [0,3,0,0,0,0|1,0,0]=4 15670 B13R1.19 C=CCN(C)Cc1ccc(cc1)Br 2230a_100000225617_100011217064 [0,3,0,0,0,0|1,0,0]=4 15671 B13R1.19 C=CCN(C)Cc1ccc(cc1)Br 269982a_100000180866_100000210623 [0,3,0,0,0,0|1,0,0]=4 15672 B13R1.19 C=CCN(C)Cc1ccc(cc1)Br 269982a_100000196220_200000210301 [0,3,0,0,0,0|1,0,0]=4 15673 B13R1.19 C=CCN(C)Cc1ccc(cc1)Br 269982a_100000225617_100011217064 [0,3,0,0,0,0|1,0,0]=4 15674 B13R1.19 C=CCN(C)Cc1ccc(cc1)Br 26a_100000225617_100000185759 [0,3,0,0,0,0|1,0,0]=4 15675 B13R1.19 C=CCN(C)Cc1ccc(cc1)Br 270004a_100000225617_100000186029 [0,3,0,0,0,0|1,0,0]=4 15676 B13R1.19 C=CCN(C)Cc1ccc(cc1)Br 34a_100000196220_200000210301 [0,3,0,0,0,0|1,0,0]=4 15677 B13R1.19 C=CCN(C)Cc1ccc(cc1)C 2230a_100000196234_200000210301 [0,3,0,0,0,0|1,0,0]=4 15678 B13R1.19 C=CCN(C)Cc1ccc(cc1)C 2230a_100000225617_100000210814 [0,3,0,0,0,0|1,0,0]=4 15679 B13R1.19 C=CCN(C)Cc1ccc(cc1)C 2230a_100000744650_100000210623 [0,3,0,0,0,0|1,0,0]=4 15680 B13R1.19 C=CCN(C)Cc1ccc(cc1)C 269982a_100000196234_200000210301 [0,3,0,0,0,0|1,0,0]=4 15681 B13R1.19 C=CCN(C)Cc1ccc(cc1)C 269982a_100000225617_100000210814 [0,3,0,0,0,0|1,0,0]=4 15682 B13R1.19 C=CCN(C)Cc1ccc(cc1)C 269982a_100000744650_100000210623 [0,3,0,0,0,0|1,0,0]=4 15683 B13R1.19 C=CCN(C)Cc1ccc(cc1)C 26a_100000225617_200020625495 [0,3,0,0,0,0|1,0,0]=4 15684 B13R1.19 C=CCN(C)Cc1ccc(cc1)C 270004a_100000225617_100000211033 [0,3,0,0,0,0|1,0,0]=4 15685 B13R1.19 C=CCN(C)Cc1ccc(cc1)C 34a_100000196234_200000210301 [0,3,0,0,0,0|1,0,0]=4 15686 B13R1.19 C=CCN(C)Cc1ccc(cc1)C 34a_100000744650_100015514636 [0,3,0,0,0,0|1,0,0]=4 15687 B13R1.19 C=CCN(C)Cc1ccc(cc1)Cl 2230a_100000184517_100000210623 [0,3,0,0,0,0|1,0,0]=4 15688 B13R1.19 C=CCN(C)Cc1ccc(cc1)Cl 2230a_100000196221_200000210301 [0,3,0,0,0,0|1,0,0]=4 15689 B13R1.19 C=CCN(C)Cc1ccc(cc1)Cl 2230a_100000225617_100000694040 [0,3,0,0,0,0|1,0,0]=4 15690 B13R1.19 C=CCN(C)Cc1ccc(cc1)Cl 269982a_100000184517_100000210623 [0,3,0,0,0,0|1,0,0]=4 15691 B13R1.19 C=CCN(C)Cc1ccc(cc1)Cl 269982a_100000196221_200000210301 [0,3,0,0,0,0|1,0,0]=4 15692 B13R1.19 C=CCN(C)Cc1ccc(cc1)Cl 269982a_100000225617_100000187161 [0,3,0,0,0,0|1,0,0]=4 15693 B13R1.19 C=CCN(C)Cc1ccc(cc1)Cl 270004a_100000225617_100000189385 [0,3,0,0,0,0|1,0,0]=4 15694 B13R1.19 C=CCN(C)Cc1ccc(cc1)Cl 34a_100000184517_100015514636 [0,3,0,0,0,0|1,0,0]=4 15695 B13R1.19 C=CCN(C)Cc1ccc(cc1)Cl 34a_100000196221_200000210301 [0,3,0,0,0,0|1,0,0]=4 15696 B13R1.19 C=CCN(C)Cc1ccc(cc1)F 2230a_100000184576_100000210623 [0,3,0,0,0,0|1,0,0]=4 15697 B13R1.19 C=CCN(C)Cc1ccc(cc1)F 2230a_100000196225_200000210301 [0,3,0,0,0,0|1,0,0]=4 15698 B13R1.19 C=CCN(C)Cc1ccc(cc1)F 2230a_100000225617_100000198546 [0,3,0,0,0,0|1,0,0]=4 15699 B13R1.19 C=CCN(C)Cc1ccc(cc1)F 269982a_100000184576_100000210623 [0,3,0,0,0,0|1,0,0]=4 15700 B13R1.19 C=CCN(C)Cc1ccc(cc1)F 269982a_100000196225_200000210301 [0,3,0,0,0,0|1,0,0]=4 15701 B13R1.19 C=CCN(C)Cc1ccc(cc1)F 269982a_100000225617_100000198546 [0,3,0,0,0,0|1,0,0]=4 15702 B13R1.19 C=CCN(C)Cc1ccc(cc1)F 270004a_100000225617_100000210084 [0,3,0,0,0,0|1,0,0]=4 15703 B13R1.19 C=CCN(C)Cc1ccc(cc1)F 34a_100000184576_100015514636 [0,3,0,0,0,0|1,0,0]=4 15704 B13R1.19 C=CCN(C)Cc1ccc(cc1)F 34a_100000196225_200000210301 [0,3,0,0,0,0|1,0,0]=4 15705 B13R1.19 C=CCN(C)Cc1ccc(cc1)I 2230a_100000225617_100000189116 [0,3,0,0,0,0|1,0,0]=4 15706 B13R1.19 C=CCN(C)Cc1ccc(cc1)I 269982a_100000225617_100000189116 [0,3,0,0,0,0|1,0,0]=4 15707 B13R1.19 C=CCN(C)Cc1ccc(cc1)O 2230a_100000207500_100000210623 [0,3,0,0,0,0|1,0,0]=4 15708 B13R1.19 C=CCN(C)Cc1ccc(cc1)O 269982a_100000207500_100000210623 [0,3,0,0,0,0|1,0,0]=4 15709 B13R1.19 C=CCN([13CH3])Cc1ccc(cc1)Br 2230a_100000196220_200025704644 [0,3,0,0,0,0|1,0,0]=4 15710 B13R1.19 C=CCN([13CH3])Cc1ccc(cc1)Br 269982a_100000196220_200025704644 [0,3,0,0,0,0|1,0,0]=4 15711 B13R1.19 C=CCN([13CH3])Cc1ccc(cc1)Br 34a_100000196220_200025704644 [0,3,0,0,0,0|1,0,0]=4 15712 B13R1.19 C=CCN([13CH3])Cc1ccc(cc1)C 2230a_100000196234_200025704644 [0,3,0,0,0,0|1,0,0]=4 15713 B13R1.19 C=CCN([13CH3])Cc1ccc(cc1)C 269982a_100000196234_200025704644 [0,3,0,0,0,0|1,0,0]=4 15714 B13R1.19 C=CCN([13CH3])Cc1ccc(cc1)C 34a_100000196234_200025704644 [0,3,0,0,0,0|1,0,0]=4 15715 B13R1.19 C=CCN([13CH3])Cc1ccc(cc1)Cl 2230a_100000196221_200025704644 [0,3,0,0,0,0|1,0,0]=4 15716 B13R1.19 C=CCN([13CH3])Cc1ccc(cc1)Cl 269982a_100000196221_200025704644 [0,3,0,0,0,0|1,0,0]=4 15717 B13R1.19 C=CCN([13CH3])Cc1ccc(cc1)Cl 34a_100000196221_200025704644 [0,3,0,0,0,0|1,0,0]=4 15718 B13R1.19 C=CCN([13CH3])Cc1ccc(cc1)F 2230a_100000196225_200025704644 [0,3,0,0,0,0|1,0,0]=4 15719 B13R1.19 C=CCN([13CH3])Cc1ccc(cc1)F 269982a_100000196225_200025704644 [0,3,0,0,0,0|1,0,0]=4 15720 B13R1.19 C=CCN([13CH3])Cc1ccc(cc1)F 34a_100000196225_200025704644 [0,3,0,0,0,0|1,0,0]=4 15721 B13R1.369 C/C=C/CNc1ccc(cc1Br)Br 34a_100000211012_100102629194 [0,3,0,0,0,0|1,0,0]=4 15722 B13R1.369 C/C=C/CNc1ccc(cc1Br)C 34a_100000210942_100102629194 [0,3,0,0,0,0|1,0,0]=4 15723 B13R1.369 C/C=C/CNc1ccc(cc1Br)Cl 34a_100000752454_100102629194 [0,3,0,0,0,0|1,0,0]=4 15724 B13R1.369 C/C=C/CNc1ccc(cc1Br)F 34a_100000738039_100102629194 [0,3,0,0,0,0|1,0,0]=4 15725 B13R1.369 C/C=C/CNc1ccc(cc1Br)O 34a_100012001276_100102629194 [0,3,0,0,0,0|1,0,0]=4 15726 B13R1.369 C/C=C/CNc1ccc(cc1C)Br 34a_100000211769_100102629194 [0,3,0,0,0,0|1,0,0]=4 15727 B13R1.369 C/C=C/CNc1ccc(cc1C)Br 7a_100000211769_100102629194 [0,3,0,0,0,0|1,0,0]=4 15728 B13R1.369 C/C=C/CNc1ccc(cc1C)C 34a_100000736561_100102629194 [0,3,0,0,0,0|1,0,0]=4 15729 B13R1.369 C/C=C/CNc1ccc(cc1C)C 7a_100000736561_100102629194 [0,3,0,0,0,0|1,0,0]=4 15730 B13R1.369 C/C=C/CNc1ccc(cc1C)Cl 34a_100000210418_100102629194 [0,3,0,0,0,0|1,0,0]=4 15731 B13R1.369 C/C=C/CNc1ccc(cc1C)Cl 7a_100000210418_100102629194 [0,3,0,0,0,0|1,0,0]=4 15732 B13R1.369 C/C=C/CNc1ccc(cc1C)F 34a_100000211637_100102629194 [0,3,0,0,0,0|1,0,0]=4 15733 B13R1.369 C/C=C/CNc1ccc(cc1C)F 7a_100000211637_100102629194 [0,3,0,0,0,0|1,0,0]=4 15734 B13R1.369 C/C=C/CNc1ccc(cc1C)I 34a_100000184554_100102629194 [0,3,0,0,0,0|1,0,0]=4 15735 B13R1.369 C/C=C/CNc1ccc(cc1C)I 7a_100000184554_100102629194 [0,3,0,0,0,0|1,0,0]=4 15736 B13R1.369 C/C=C/CNc1ccc(cc1C)O 34a_100000756630_100102629194 [0,3,0,0,0,0|1,0,0]=4 15737 B13R1.369 C/C=C/CNc1ccc(cc1Cl)Br 34a_100000211467_100102629194 [0,3,0,0,0,0|1,0,0]=4 15738 B13R1.369 C/C=C/CNc1ccc(cc1Cl)C 34a_100000210522_100102629194 [0,3,0,0,0,0|1,0,0]=4 15739 B13R1.369 C/C=C/CNc1ccc(cc1Cl)Cl 34a_100000185861_100102629194 [0,3,0,0,0,0|1,0,0]=4 15740 B13R1.369 C/C=C/CNc1ccc(cc1Cl)F 34a_100000212003_100102629194 [0,3,0,0,0,0|1,0,0]=4 15741 B13R1.369 C/C=C/CNc1ccc(cc1Cl)I 34a_100011218065_100102629194 [0,3,0,0,0,0|1,0,0]=4 15742 B13R1.369 C/C=C/CNc1ccc(cc1Cl)O 34a_100011215599_100102629194 [0,3,0,0,0,0|1,0,0]=4 15743 B13R1.369 C/C=C/CNc1ccc(cc1F)Br 34a_100000210722_100102629194 [0,3,0,0,0,0|1,0,0]=4 15744 B13R1.369 C/C=C/CNc1ccc(cc1F)C 34a_100000211023_100102629194 [0,3,0,0,0,0|1,0,0]=4 15745 B13R1.369 C/C=C/CNc1ccc(cc1F)Cl 34a_100000211020_100102629194 [0,3,0,0,0,0|1,0,0]=4 15746 B13R1.369 C/C=C/CNc1ccc(cc1F)F 34a_100000210720_100102629194 [0,3,0,0,0,0|1,0,0]=4 15747 B13R1.369 C/C=C/CNc1ccc(cc1F)I 34a_100011215594_100102629194 [0,3,0,0,0,0|1,0,0]=4 15748 B13R1.369 C/C=C/CNc1ccc(cc1F)O 34a_100000759473_100102629194 [0,3,0,0,0,0|1,0,0]=4 15749 B13R1.369 C/C=C/CNc1ccc(cc1I)Br 34a_100000187925_100102629194 [0,3,0,0,0,0|1,0,0]=4 15750 B13R1.369 C/C=C/CNc1ccc(cc1I)C 34a_100011356834_100102629194 [0,3,0,0,0,0|1,0,0]=4 15751 B13R1.369 C/C=C/CNc1ccc(cc1I)Cl 34a_100000761889_100102629194 [0,3,0,0,0,0|1,0,0]=4 15752 B13R1.369 C/C=C/CNc1ccc(cc1I)F 34a_100000760547_100102629194 [0,3,0,0,0,0|1,0,0]=4 15753 B13R1.369 C/C=C/CNc1ccc(cc1I)O 34a_100010084370_100102629194 [0,3,0,0,0,0|1,0,0]=4 15754 B13R1.369 C/C=C/CNc1ccc(cc1O)Br 34a_100000739049_100102629194 [0,3,0,0,0,0|1,0,0]=4 15755 B13R1.369 C/C=C/CNc1ccc(cc1O)C 34a_100000211527_100102629194 [0,3,0,0,0,0|1,0,0]=4 15756 B13R1.369 C/C=C/CNc1ccc(cc1O)Cl 34a_100000185728_100102629194 [0,3,0,0,0,0|1,0,0]=4 15757 B13R1.369 C/C=C/CNc1ccc(cc1O)F 34a_100000753323_100102629194 [0,3,0,0,0,0|1,0,0]=4 15758 B13R1.369 C/C=C/CNc1ccc(cc1O)O 34a_100000106777_100102629194 [0,3,0,0,0,0|1,0,0]=4 15759 B13R1.369 C/C=C/COc1ccc(cc1Br)Br 34a_100000188717_100102629194 [0,3,0,0,0,0|0,0,0]=3 15760 B13R1.369 C/C=C/COc1ccc(cc1Br)Br 7a_100000188717_100102629194 [0,3,0,0,0,0|0,0,0]=3 15761 B13R1.369 C/C=C/COc1ccc(cc1Br)C 34a_100000210800_100102629194 [0,3,0,0,0,0|0,0,0]=3 15762 B13R1.369 C/C=C/COc1ccc(cc1Br)C 7a_100000210800_100102629194 [0,3,0,0,0,0|0,0,0]=3 15763 B13R1.369 C/C=C/COc1ccc(cc1Br)Cl 34a_100000211998_100102629194 [0,3,0,0,0,0|0,0,0]=3 15764 B13R1.369 C/C=C/COc1ccc(cc1Br)Cl 7a_100000211998_100102629194 [0,3,0,0,0,0|0,0,0]=3 15765 B13R1.369 C/C=C/COc1ccc(cc1Br)F 34a_100000211999_100102629194 [0,3,0,0,0,0|0,0,0]=3 15766 B13R1.369 C/C=C/COc1ccc(cc1Br)F 7a_100000211999_100102629194 [0,3,0,0,0,0|0,0,0]=3 15767 B13R1.369 C/C=C/COc1ccc(cc1Br)I 34a_100012361655_100102629194 [0,3,0,0,0,0|0,0,0]=3 15768 B13R1.369 C/C=C/COc1ccc(cc1Br)I 7a_100012361655_100102629194 [0,3,0,0,0,0|0,0,0]=3 15769 B13R1.369 C/C=C/COc1ccc(cc1Br)N 34a_100011534360_100102629194 [0,3,0,0,0,0|0,0,0]=3 15770 B13R1.369 C/C=C/COc1ccc(cc1Br)N 7a_100011534360_100102629194 [0,3,0,0,0,0|0,0,0]=3 15771 B13R1.369 C/C=C/COc1ccc(cc1C)Br 34a_100000186361_100102629194 [0,3,0,0,0,0|0,0,0]=3 15772 B13R1.369 C/C=C/COc1ccc(cc1C)Br 7a_100000186361_100102629194 [0,3,0,0,0,0|0,0,0]=3 15773 B13R1.369 C/C=C/COc1ccc(cc1C)C 34a_100000211776_100102629194 [0,3,0,0,0,0|0,0,0]=3 15774 B13R1.369 C/C=C/COc1ccc(cc1C)C 7a_100000211776_100102629194 [0,3,0,0,0,0|0,0,0]=3 15775 B13R1.369 C/C=C/COc1ccc(cc1C)Cl 34a_100000211091_100102629194 [0,3,0,0,0,0|0,0,0]=3 15776 B13R1.369 C/C=C/COc1ccc(cc1C)Cl 7a_100000211091_100102629194 [0,3,0,0,0,0|0,0,0]=3 15777 B13R1.369 C/C=C/COc1ccc(cc1C)F 34a_100000764316_100102629194 [0,3,0,0,0,0|0,0,0]=3 15778 B13R1.369 C/C=C/COc1ccc(cc1C)F 7a_100000764316_100102629194 [0,3,0,0,0,0|0,0,0]=3 15779 B13R1.369 C/C=C/COc1ccc(cc1C)I 34a_100011218673_100102629194 [0,3,0,0,0,0|0,0,0]=3 15780 B13R1.369 C/C=C/COc1ccc(cc1C)I 7a_100011218673_100102629194 [0,3,0,0,0,0|0,0,0]=3 15781 B13R1.369 C/C=C/COc1ccc(cc1C)N 34a_100011218179_100102629194 [0,3,0,0,0,0|0,0,0]=3 15782 B13R1.369 C/C=C/COc1ccc(cc1C)N 7a_100011218179_100102629194 [0,3,0,0,0,0|0,0,0]=3 15783 B13R1.369 C/C=C/COc1ccc(cc1Cl)Br 34a_100000186472_100102629194 [0,3,0,0,0,0|0,0,0]=3 15784 B13R1.369 C/C=C/COc1ccc(cc1Cl)Br 7a_100000186472_100102629194 [0,3,0,0,0,0|0,0,0]=3 15785 B13R1.369 C/C=C/COc1ccc(cc1Cl)C 34a_100000749699_100102629194 [0,3,0,0,0,0|0,0,0]=3 15786 B13R1.369 C/C=C/COc1ccc(cc1Cl)C 7a_100000749699_100102629194 [0,3,0,0,0,0|0,0,0]=3 15787 B13R1.369 C/C=C/COc1ccc(cc1Cl)Cl 34a_100015191787_100102629194 [0,3,0,0,0,0|0,0,0]=3 15788 B13R1.369 C/C=C/COc1ccc(cc1Cl)Cl 7a_100015191787_100102629194 [0,3,0,0,0,0|0,0,0]=3 15789 B13R1.369 C/C=C/COc1ccc(cc1Cl)F 34a_100000212004_100102629194 [0,3,0,0,0,0|0,0,0]=3 15790 B13R1.369 C/C=C/COc1ccc(cc1Cl)F 7a_100000212004_100102629194 [0,3,0,0,0,0|0,0,0]=3 15791 B13R1.369 C/C=C/COc1ccc(cc1Cl)I 34a_100012360047_100102629194 [0,3,0,0,0,0|0,0,0]=3 15792 B13R1.369 C/C=C/COc1ccc(cc1Cl)I 7a_100012360047_100102629194 [0,3,0,0,0,0|0,0,0]=3 15793 B13R1.369 C/C=C/COc1ccc(cc1Cl)N 34a_100000744943_100102629194 [0,3,0,0,0,0|0,0,0]=3 15794 B13R1.369 C/C=C/COc1ccc(cc1Cl)N 7a_100000744943_100102629194 [0,3,0,0,0,0|0,0,0]=3 15795 B13R1.369 C/C=C/COc1ccc(cc1F)Br 34a_100000185481_100102629194 [0,3,0,0,0,0|0,0,0]=3 15796 B13R1.369 C/C=C/COc1ccc(cc1F)Br 7a_100000185481_100102629194 [0,3,0,0,0,0|0,0,0]=3 15797 B13R1.369 C/C=C/COc1ccc(cc1F)C 34a_100011216688_100102629194 [0,3,0,0,0,0|0,0,0]=3 15798 B13R1.369 C/C=C/COc1ccc(cc1F)C 7a_100011216688_100102629194 [0,3,0,0,0,0|0,0,0]=3 15799 B13R1.369 C/C=C/COc1ccc(cc1F)Cl 34a_100000230166_100102629194 [0,3,0,0,0,0|0,0,0]=3 15800 B13R1.369 C/C=C/COc1ccc(cc1F)Cl 7a_100000230166_100102629194 [0,3,0,0,0,0|0,0,0]=3 15801 B13R1.369 C/C=C/COc1ccc(cc1F)F 34a_100000230127_100102629194 [0,3,0,0,0,0|0,0,0]=3 15802 B13R1.369 C/C=C/COc1ccc(cc1F)F 7a_100000230127_100102629194 [0,3,0,0,0,0|0,0,0]=3 15803 B13R1.369 C/C=C/COc1ccc(cc1F)I 34a_100011356965_100102629194 [0,3,0,0,0,0|0,0,0]=3 15804 B13R1.369 C/C=C/COc1ccc(cc1F)I 7a_100011356965_100102629194 [0,3,0,0,0,0|0,0,0]=3 15805 B13R1.369 C/C=C/COc1ccc(cc1F)N 34a_100011220035_100102629194 [0,3,0,0,0,0|0,0,0]=3 15806 B13R1.369 C/C=C/COc1ccc(cc1F)N 7a_100011220035_100102629194 [0,3,0,0,0,0|0,0,0]=3 15807 B13R1.369 C/C=C/COc1ccc(cc1I)Br 34a_100012355227_100102629194 [0,3,0,0,0,0|0,0,0]=3 15808 B13R1.369 C/C=C/COc1ccc(cc1I)Br 7a_100012355227_100102629194 [0,3,0,0,0,0|0,0,0]=3 15809 B13R1.369 C/C=C/COc1ccc(cc1I)C 34a_100000765521_100102629194 [0,3,0,0,0,0|0,0,0]=3 15810 B13R1.369 C/C=C/COc1ccc(cc1I)C 7a_100000765521_100102629194 [0,3,0,0,0,0|0,0,0]=3 15811 B13R1.369 C/C=C/COc1ccc(cc1I)Cl 34a_100011356953_100102629194 [0,3,0,0,0,0|0,0,0]=3 15812 B13R1.369 C/C=C/COc1ccc(cc1I)Cl 7a_100011356953_100102629194 [0,3,0,0,0,0|0,0,0]=3 15813 B13R1.369 C/C=C/COc1ccc(cc1I)F 34a_100012355409_100102629194 [0,3,0,0,0,0|0,0,0]=3 15814 B13R1.369 C/C=C/COc1ccc(cc1I)F 7a_100012355409_100102629194 [0,3,0,0,0,0|0,0,0]=3 15815 B13R1.369 C/C=C/COc1ccc(cc1I)I 7a_100010001573_100102629194 [0,3,0,0,0,0|0,0,0]=3 15816 B13R1.369 C/C=C/COc1ccc(cc1N)Br 34a_100000752626_100102629194 [0,3,0,0,0,0|0,0,0]=3 15817 B13R1.369 C/C=C/COc1ccc(cc1N)Br 7a_100000752626_100102629194 [0,3,0,0,0,0|0,0,0]=3 15818 B13R1.369 C/C=C/COc1ccc(cc1N)C 34a_100011215204_100102629194 [0,3,0,0,0,0|0,0,0]=3 15819 B13R1.369 C/C=C/COc1ccc(cc1N)C 7a_100011215204_100102629194 [0,3,0,0,0,0|0,0,0]=3 15820 B13R1.369 C/C=C/COc1ccc(cc1N)Cl 34a_100000210500_100102629194 [0,3,0,0,0,0|0,0,0]=3 15821 B13R1.369 C/C=C/COc1ccc(cc1N)Cl 7a_100000210500_100102629194 [0,3,0,0,0,0|0,0,0]=3 15822 B13R1.369 C/C=C/COc1ccc(cc1N)F 34a_100000759472_100102629194 [0,3,0,0,0,0|0,0,0]=3 15823 B13R1.369 C/C=C/COc1ccc(cc1N)F 7a_100000759472_100102629194 [0,3,0,0,0,0|0,0,0]=3 15824 B13R1.369 C/C=C/COc1ccc(cc1N)I 34a_100000753495_100102629194 [0,3,0,0,0,0|0,0,0]=3 15825 B13R1.369 C/C=C/COc1ccc(cc1N)I 7a_100000753495_100102629194 [0,3,0,0,0,0|0,0,0]=3 15826 B13R1.369 C/C=C/COc1ccc(cc1N)N 34a_100000725306_100102629194 [0,3,0,0,0,0|0,0,0]=3 15827 B13R1.369 C/C=C/COc1ccc(nc1Br)Br 34a_100009999766_100102629194 [0,3,0,0,0,0|1,0,0]=4 15828 B13R1.369 C/C=C/COc1ccc(nc1Br)Br 7a_100009999766_100102629194 [0,3,0,0,0,0|1,0,0]=4 15829 B13R1.369 C/C=C/COc1ccc(nc1Br)C 34a_100000702858_100102629194 [0,3,0,0,0,0|1,0,0]=4 15830 B13R1.369 C/C=C/COc1ccc(nc1Br)C 7a_100000702858_100102629194 [0,3,0,0,0,0|1,0,0]=4 15831 B13R1.369 C/C=C/COc1ccc(nc1Br)Cl 34a_100010219353_100102629194 [0,3,0,0,0,0|1,0,0]=4 15832 B13R1.369 C/C=C/COc1ccc(nc1Br)Cl 7a_100010219353_100102629194 [0,3,0,0,0,0|1,0,0]=4 15833 B13R1.369 C/C=C/COc1ccc(nc1Br)F 34a_100009887730_100102629194 [0,3,0,0,0,0|1,0,0]=4 15834 B13R1.369 C/C=C/COc1ccc(nc1Br)F 7a_100009887730_100102629194 [0,3,0,0,0,0|1,0,0]=4 15835 B13R1.369 C/C=C/COc1ccc(nc1Br)I 34a_100000725334_100102629194 [0,3,0,0,0,0|1,0,0]=4 15836 B13R1.369 C/C=C/COc1ccc(nc1Br)I 7a_100000725334_100102629194 [0,3,0,0,0,0|1,0,0]=4 15837 B13R1.369 C/C=C/COc1ccc(nc1C)Br 34a_100012002022_100102629194 [0,3,0,0,0,0|1,0,0]=4 15838 B13R1.369 C/C=C/COc1ccc(nc1C)Br 7a_100012002022_100102629194 [0,3,0,0,0,0|1,0,0]=4 15839 B13R1.369 C/C=C/COc1ccc(nc1C)C 34a_100011218912_100102629194 [0,3,0,0,0,0|1,0,0]=4 15840 B13R1.369 C/C=C/COc1ccc(nc1C)C 7a_100011218912_100102629194 [0,3,0,0,0,0|1,0,0]=4 15841 B13R1.369 C/C=C/COc1ccc(nc1C)Cl 34a_100012184626_100102629194 [0,3,0,0,0,0|1,0,0]=4 15842 B13R1.369 C/C=C/COc1ccc(nc1C)Cl 7a_100012184626_100102629194 [0,3,0,0,0,0|1,0,0]=4 15843 B13R1.369 C/C=C/COc1ccc(nc1C)F 34a_100009881036_100102629194 [0,3,0,0,0,0|1,0,0]=4 15844 B13R1.369 C/C=C/COc1ccc(nc1C)F 7a_100009881036_100102629194 [0,3,0,0,0,0|1,0,0]=4 15845 B13R1.369 C/C=C/COc1ccc(nc1C)I 34a_100010233687_100102629194 [0,3,0,0,0,0|1,0,0]=4 15846 B13R1.369 C/C=C/COc1ccc(nc1C)I 7a_100010233687_100102629194 [0,3,0,0,0,0|1,0,0]=4 15847 B13R1.369 C/C=C/COc1ccc(nc1Cl)Br 34a_100010246206_100102629194 [0,3,0,0,0,0|1,0,0]=4 15848 B13R1.369 C/C=C/COc1ccc(nc1Cl)Br 7a_100010246206_100102629194 [0,3,0,0,0,0|1,0,0]=4 15849 B13R1.369 C/C=C/COc1ccc(nc1Cl)C 34a_100000086286_100102629194 [0,3,0,0,0,0|1,0,0]=4 15850 B13R1.369 C/C=C/COc1ccc(nc1Cl)C 7a_100000086286_100102629194 [0,3,0,0,0,0|1,0,0]=4 15851 B13R1.369 C/C=C/COc1ccc(nc1Cl)Cl 34a_100000101165_100102629194 [0,3,0,0,0,0|1,0,0]=4 15852 B13R1.369 C/C=C/COc1ccc(nc1Cl)Cl 7a_100000101165_100102629194 [0,3,0,0,0,0|1,0,0]=4 15853 B13R1.369 C/C=C/COc1ccc(nc1Cl)I 34a_100000721234_100102629194 [0,3,0,0,0,0|1,0,0]=4 15854 B13R1.369 C/C=C/COc1ccc(nc1Cl)I 7a_100000721234_100102629194 [0,3,0,0,0,0|1,0,0]=4 15855 B13R1.369 C/C=C/COc1ccc(nc1F)Br 34a_100009819667_100102629194 [0,3,0,0,0,0|1,0,0]=4 15856 B13R1.369 C/C=C/COc1ccc(nc1F)Br 7a_100009819667_100102629194 [0,3,0,0,0,0|1,0,0]=4 15857 B13R1.369 C/C=C/COc1ccc(nc1F)C 34a_100000079963_100102629194 [0,3,0,0,0,0|1,0,0]=4 15858 B13R1.369 C/C=C/COc1ccc(nc1F)C 7a_100000079963_100102629194 [0,3,0,0,0,0|1,0,0]=4 15859 B13R1.369 C/C=C/COc1ccc(nc1F)Cl 34a_100009880201_100102629194 [0,3,0,0,0,0|1,0,0]=4 15860 B13R1.369 C/C=C/COc1ccc(nc1F)Cl 7a_100009880201_100102629194 [0,3,0,0,0,0|1,0,0]=4 15861 B13R1.369 C/C=C/COc1ccc(nc1F)F 34a_100000101184_100102629194 [0,3,0,0,0,0|1,0,0]=4 15862 B13R1.369 C/C=C/COc1ccc(nc1F)F 7a_100000101184_100102629194 [0,3,0,0,0,0|1,0,0]=4 15863 B13R1.369 C/C=C/COc1ccc(nc1I)Br 34a_100010253912_100102629194 [0,3,0,0,0,0|1,0,0]=4 15864 B13R1.369 C/C=C/COc1ccc(nc1I)Br 7a_100010253912_100102629194 [0,3,0,0,0,0|1,0,0]=4 15865 B13R1.369 C/C=C/COc1ccc(nc1I)C 34a_100000023897_100102629194 [0,3,0,0,0,0|1,0,0]=4 15866 B13R1.369 C/C=C/COc1ccc(nc1I)C 7a_100000023897_100102629194 [0,3,0,0,0,0|1,0,0]=4 15867 B13R1.369 C/C=C/COc1ccc(nc1I)Cl 34a_100000696390_100102629194 [0,3,0,0,0,0|1,0,0]=4 15868 B13R1.369 C/C=C/COc1ccc(nc1I)Cl 7a_100000696390_100102629194 [0,3,0,0,0,0|1,0,0]=4 15869 B13R1.369 C/C=C/COc1ccc(nc1I)F 34a_100010382442_100102629194 [0,3,0,0,0,0|1,0,0]=4 15870 B13R1.369 C/C=C/COc1ccc(nc1I)F 7a_100010382442_100102629194 [0,3,0,0,0,0|1,0,0]=4 15871 B13R1.369 C/C=C/COc1ccc(nc1N)Br 34a_100000685527_100102629194 [0,3,0,0,0,0|1,0,0]=4 15872 B13R1.369 C/C=C/COc1ccc(nc1N)Br 7a_100000685527_100102629194 [0,3,0,0,0,0|1,0,0]=4 15873 B13R1.369 C/C=C/COc1ccc(nc1N)C 34a_100000694039_100102629194 [0,3,0,0,0,0|1,0,0]=4 15874 B13R1.369 C/C=C/COc1ccc(nc1N)C 7a_100000694039_100102629194 [0,3,0,0,0,0|1,0,0]=4 15875 B13R1.369 C/C=C/COc1ccc(nc1N)Cl 34a_100000717809_100102629194 [0,3,0,0,0,0|1,0,0]=4 15876 B13R1.369 C/C=C/COc1ccc(nc1N)Cl 7a_100000717809_100102629194 [0,3,0,0,0,0|1,0,0]=4 15877 B13R1.369 C/C=C/COc1cnc(cc1Br)C 34a_100009843476_100102629194 [0,3,0,0,0,0|1,0,0]=4 15878 B13R1.369 C/C=C/COc1cnc(cc1Br)C 7a_100009843476_100102629194 [0,3,0,0,0,0|1,0,0]=4 15879 B13R1.369 C/C=C/COc1cnc(cc1C)C 34a_200000068632_100102629194 [0,3,0,0,0,0|1,0,0]=4 15880 B13R1.369 C/C=C/COc1cnc(cc1C)C 7a_200000068632_100102629194 [0,3,0,0,0,0|1,0,0]=4 15881 B13R1.369 C/C=C/COc1cnc(cc1C)Cl 34a_100000692680_100102629194 [0,3,0,0,0,0|1,0,0]=4 15882 B13R1.369 C/C=C/COc1cnc(cc1C)Cl 7a_100000692680_100102629194 [0,3,0,0,0,0|1,0,0]=4 15883 B13R1.369 C/C=C/COc1cnc(cc1C)F 34a_100009856773_100102629194 [0,3,0,0,0,0|1,0,0]=4 15884 B13R1.369 C/C=C/COc1cnc(cc1C)F 7a_100009856773_100102629194 [0,3,0,0,0,0|1,0,0]=4 15885 B13R1.369 C/C=C/COc1cnc(cc1Cl)Cl 34a_100009868576_100102629194 [0,3,0,0,0,0|1,0,0]=4 15886 B13R1.369 C/C=C/COc1cnc(cc1Cl)Cl 7a_100009868576_100102629194 [0,3,0,0,0,0|1,0,0]=4 15887 B13R1.369 C/C=C/COc1cnc(cc1F)F 34a_100009885687_100102629194 [0,3,0,0,0,0|1,0,0]=4 15888 B13R1.369 C/C=C/COc1cnc(cc1F)F 7a_100009885687_100102629194 [0,3,0,0,0,0|1,0,0]=4 15889 B13R1.369 C/C=C/COc1cnc(cc1I)Cl 34a_100000698892_100102629194 [0,3,0,0,0,0|1,0,0]=4 15890 B13R1.369 C/C=C/COc1cnc(cc1I)Cl 7a_100000698892_100102629194 [0,3,0,0,0,0|1,0,0]=4 15891 B13R1.369 C/C=C/COc1cnc(cc1N)Br 34a_100009819941_100102629194 [0,3,0,0,0,0|1,0,0]=4 15892 B13R1.369 C/C=C/COc1cnc(cc1N)Br 7a_100009819941_100102629194 [0,3,0,0,0,0|1,0,0]=4 15893 B13R1.369 C/C=C/COc1coc(cc1=O)C 34a_100000081520_100102629194 [0,3,0,0,0,0|1,0,0]=4 15894 B13R1.369 C/C=C/COc1ncc(cc1Br)Br 34a_100000701035_100102629194 [0,3,0,0,0,0|1,0,0]=4 15895 B13R1.369 C/C=C/COc1ncc(cc1Br)C 34a_100000719714_100102629194 [0,3,0,0,0,0|1,0,0]=4 15896 B13R1.369 C/C=C/COc1ncc(cc1C)Br 34a_100000685391_100102629194 [0,3,0,0,0,0|1,0,0]=4 15897 B13R1.369 C/C=C/COc1ncc(cc1Cl)Br 34a_100012339560_100102629194 [0,3,0,0,0,0|1,0,0]=4 15898 B13R1.369 C/C=C/COc1ncc(cc1Cl)F 34a_100009847679_100102629194 [0,3,0,0,0,0|1,0,0]=4 15899 B13R1.369 C/C=C/COc1ncc(cc1F)Cl 34a_100011998252_100102629194 [0,3,0,0,0,0|1,0,0]=4 15900 B13R1.369 C/C=C/COc1ncc(cc1F)F 34a_100012025737_100102629194 [0,3,0,0,0,0|1,0,0]=4 15901 B13R1.369 C/C=C/COc1ncc(cc1N)Br 34a_100000743729_100102629194 [0,3,0,0,0,0|1,0,0]=4 15902 B13R1.369 C/C=C/COc1ncc(cc1N)C 34a_100012000488_100102629194 [0,3,0,0,0,0|1,0,0]=4 15903 B13R1.369 C/C=C/COc1ncc(cc1N)Cl 34a_100011998249_100102629194 [0,3,0,0,0,0|1,0,0]=4 15904 B13R1.369 C/C=C/CSc1ccc(cc1Br)Br 62a_100011484698_100102629194 [0,3,0,0,0,0|0,1,0]=4 15905 B13R1.369 C/C=C/CSc1ccc(cc1Br)Br 62a_100102629194_100011484698 [0,3,0,0,0,0|0,1,0]=4 15906 B13R1.369 C/C=C/CSc1ccc(cc1Br)C 62a_100009813563_100102629194 [0,3,0,0,0,0|0,1,0]=4 15907 B13R1.369 C/C=C/CSc1ccc(cc1Br)C 62a_100102629194_100009813563 [0,3,0,0,0,0|0,1,0]=4 15908 B13R1.369 C/C=C/CSc1ccc(cc1Br)Cl 62a_100011219703_100102629194 [0,3,0,0,0,0|0,1,0]=4 15909 B13R1.369 C/C=C/CSc1ccc(cc1Br)Cl 62a_100102629194_100011219703 [0,3,0,0,0,0|0,1,0]=4 15910 B13R1.369 C/C=C/CSc1ccc(cc1Br)F 62a_100011217111_100102629194 [0,3,0,0,0,0|0,1,0]=4 15911 B13R1.369 C/C=C/CSc1ccc(cc1Br)F 62a_100102629194_100011217111 [0,3,0,0,0,0|0,1,0]=4 15912 B13R1.369 C/C=C/CSc1ccc(cc1Br)N 62a_100000750458_100102629194 [0,3,0,0,0,0|0,1,0]=4 15913 B13R1.369 C/C=C/CSc1ccc(cc1Br)N 62a_100102629194_100000750458 [0,3,0,0,0,0|0,1,0]=4 15914 B13R1.369 C/C=C/CSc1ccc(cc1Br)O 62a_100000701344_100102629194 [0,3,0,0,0,0|0,1,0]=4 15915 B13R1.369 C/C=C/CSc1ccc(cc1Br)O 62a_100102629194_100000701344 [0,3,0,0,0,0|0,1,0]=4 15916 B13R1.369 C/C=C/CSc1ccc(cc1C)Br 62a_100000701812_100102629194 [0,3,0,0,0,0|0,1,0]=4 15917 B13R1.369 C/C=C/CSc1ccc(cc1C)Br 62a_100102629194_100000701812 [0,3,0,0,0,0|0,1,0]=4 15918 B13R1.369 C/C=C/CSc1ccc(cc1C)C 62a_100011217332_100102629194 [0,3,0,0,0,0|0,1,0]=4 15919 B13R1.369 C/C=C/CSc1ccc(cc1C)C 62a_100102629194_100011217332 [0,3,0,0,0,0|0,1,0]=4 15920 B13R1.369 C/C=C/CSc1ccc(cc1C)Cl 62a_100011219607_100102629194 [0,3,0,0,0,0|0,1,0]=4 15921 B13R1.369 C/C=C/CSc1ccc(cc1C)Cl 62a_100102629194_100011219607 [0,3,0,0,0,0|0,1,0]=4 15922 B13R1.369 C/C=C/CSc1ccc(cc1C)F 62a_100011205405_100102629194 [0,3,0,0,0,0|0,1,0]=4 15923 B13R1.369 C/C=C/CSc1ccc(cc1C)F 62a_100102629194_100011205405 [0,3,0,0,0,0|0,1,0]=4 15924 B13R1.369 C/C=C/CSc1ccc(cc1C)N 62a_100000210723_100102629194 [0,3,0,0,0,0|0,1,0]=4 15925 B13R1.369 C/C=C/CSc1ccc(cc1C)N 62a_100102629194_100000210723 [0,3,0,0,0,0|0,1,0]=4 15926 B13R1.369 C/C=C/CSc1ccc(cc1C)O 62a_100102629194_100000690111 [0,3,0,0,0,0|0,1,0]=4 15927 B13R1.369 C/C=C/CSc1ccc(cc1Cl)Br 62a_100011216062_100102629194 [0,3,0,0,0,0|0,1,0]=4 15928 B13R1.369 C/C=C/CSc1ccc(cc1Cl)Br 62a_100102629194_100011216062 [0,3,0,0,0,0|0,1,0]=4 15929 B13R1.369 C/C=C/CSc1ccc(cc1Cl)C 62a_100011263221_100102629194 [0,3,0,0,0,0|0,1,0]=4 15930 B13R1.369 C/C=C/CSc1ccc(cc1Cl)C 62a_100102629194_100011263221 [0,3,0,0,0,0|0,1,0]=4 15931 B13R1.369 C/C=C/CSc1ccc(cc1Cl)Cl 62a_100000699841_100102629194 [0,3,0,0,0,0|0,1,0]=4 15932 B13R1.369 C/C=C/CSc1ccc(cc1Cl)Cl 62a_100102629194_100000699841 [0,3,0,0,0,0|0,1,0]=4 15933 B13R1.369 C/C=C/CSc1ccc(cc1Cl)F 62a_100000733362_100102629194 [0,3,0,0,0,0|0,1,0]=4 15934 B13R1.369 C/C=C/CSc1ccc(cc1Cl)F 62a_100102629194_100000733362 [0,3,0,0,0,0|0,1,0]=4 15935 B13R1.369 C/C=C/CSc1ccc(cc1Cl)N 62a_100000761885_100102629194 [0,3,0,0,0,0|0,1,0]=4 15936 B13R1.369 C/C=C/CSc1ccc(cc1Cl)N 62a_100102629194_100000761885 [0,3,0,0,0,0|0,1,0]=4 15937 B13R1.369 C/C=C/CSc1ccc(cc1Cl)O 62a_100000047559_100102629194 [0,3,0,0,0,0|0,1,0]=4 15938 B13R1.369 C/C=C/CSc1ccc(cc1Cl)O 62a_100102629194_100000047559 [0,3,0,0,0,0|0,1,0]=4 15939 B13R1.369 C/C=C/CSc1ccc(cc1F)Br 62a_100009814013_100102629194 [0,3,0,0,0,0|0,1,0]=4 15940 B13R1.369 C/C=C/CSc1ccc(cc1F)Br 62a_100102629194_100009814013 [0,3,0,0,0,0|0,1,0]=4 15941 B13R1.369 C/C=C/CSc1ccc(cc1F)C 62a_100011216119_100102629194 [0,3,0,0,0,0|0,1,0]=4 15942 B13R1.369 C/C=C/CSc1ccc(cc1F)C 62a_100102629194_100011216119 [0,3,0,0,0,0|0,1,0]=4 15943 B13R1.369 C/C=C/CSc1ccc(cc1F)Cl 62a_100011216042_100102629194 [0,3,0,0,0,0|0,1,0]=4 15944 B13R1.369 C/C=C/CSc1ccc(cc1F)Cl 62a_100102629194_100011216042 [0,3,0,0,0,0|0,1,0]=4 15945 B13R1.369 C/C=C/CSc1ccc(cc1F)F 62a_100000750030_100102629194 [0,3,0,0,0,0|0,1,0]=4 15946 B13R1.369 C/C=C/CSc1ccc(cc1F)F 62a_100102629194_100000750030 [0,3,0,0,0,0|0,1,0]=4 15947 B13R1.369 C/C=C/CSc1ccc(cc1F)N 62a_100011356925_100102629194 [0,3,0,0,0,0|0,1,0]=4 15948 B13R1.369 C/C=C/CSc1ccc(cc1F)N 62a_100102629194_100011356925 [0,3,0,0,0,0|0,1,0]=4 15949 B13R1.369 C/C=C/CSc1ccc(cc1F)O 62a_100000755031_100102629194 [0,3,0,0,0,0|0,1,0]=4 15950 B13R1.369 C/C=C/CSc1ccc(cc1F)O 62a_100102629194_100000755031 [0,3,0,0,0,0|0,1,0]=4 15951 B13R1.369 C/C=C/CSc1ccc(cc1N)Br 62a_100000743836_100102629194 [0,3,0,0,0,0|0,1,0]=4 15952 B13R1.369 C/C=C/CSc1ccc(cc1N)Br 62a_100102629194_100000743836 [0,3,0,0,0,0|0,1,0]=4 15953 B13R1.369 C/C=C/CSc1ccc(cc1N)C 62a_100011216686_100102629194 [0,3,0,0,0,0|0,1,0]=4 15954 B13R1.369 C/C=C/CSc1ccc(cc1N)C 62a_100102629194_100011216686 [0,3,0,0,0,0|0,1,0]=4 15955 B13R1.369 C/C=C/CSc1ccc(cc1N)Cl 62a_100000761886_100102629194 [0,3,0,0,0,0|0,1,0]=4 15956 B13R1.369 C/C=C/CSc1ccc(cc1N)Cl 62a_100102629194_100000761886 [0,3,0,0,0,0|0,1,0]=4 15957 B13R1.369 C/C=C/CSc1ccc(cc1N)F 62a_100000687223_100102629194 [0,3,0,0,0,0|0,1,0]=4 15958 B13R1.369 C/C=C/CSc1ccc(cc1N)F 62a_100102629194_100000687223 [0,3,0,0,0,0|0,1,0]=4 15959 B13R1.369 C/C=C/CSc1ccc(cc1N)N 62a_100102629194_200012175722 [0,3,0,0,0,0|0,1,0]=4 15960 B13R1.369 C/C=C/CSc1ccc(cc1N)N 62a_200012175722_100102629194 [0,3,0,0,0,0|0,1,0]=4 15961 B13R1.369 C/C=C/CSc1ccc(cc1N)O 62a_100011999798_100102629194 [0,3,0,0,0,0|0,1,0]=4 15962 B13R1.369 C/C=C/CSc1ccc(cc1N)O 62a_100102629194_100011999798 [0,3,0,0,0,0|0,1,0]=4 15963 B13R1.369 C/C=C/CSc1ccc(cc1O)Br 62a_100012344904_100102629194 [0,3,0,0,0,0|0,1,0]=4 15964 B13R1.369 C/C=C/CSc1ccc(cc1O)Br 62a_100102629194_100012344904 [0,3,0,0,0,0|0,1,0]=4 15965 B13R1.369 C/C=C/CSc1ccc(cc1O)C 62a_100012002257_100102629194 [0,3,0,0,0,0|0,1,0]=4 15966 B13R1.369 C/C=C/CSc1ccc(cc1O)C 62a_100102629194_100012002257 [0,3,0,0,0,0|0,1,0]=4 15967 B13R1.369 C/C=C/CSc1ccc(cc1O)Cl 62a_100000050036_100102629194 [0,3,0,0,0,0|0,1,0]=4 15968 B13R1.369 C/C=C/CSc1ccc(cc1O)Cl 62a_100102629194_100000050036 [0,3,0,0,0,0|0,1,0]=4 15969 B13R1.369 C/C=C/CSc1ccc(cc1O)F 62a_100000690578_100102629194 [0,3,0,0,0,0|0,1,0]=4 15970 B13R1.369 C/C=C/CSc1ccc(cc1O)F 62a_100102629194_100000690578 [0,3,0,0,0,0|0,1,0]=4 15971 B13R1.369 C/C=C/CSc1ccc(cc1O)O 62a_100102629194_100009813921 [0,3,0,0,0,0|0,1,0]=4 15972 B13R1.369 C=CCCNc1ccc(cc1Br)Br 34a_100000211012_100000754431 [0,3,0,0,0,0|1,0,0]=4 15973 B13R1.369 C=CCCNc1ccc(cc1Br)C 34a_100000210942_100000754431 [0,3,0,0,0,0|1,0,0]=4 15974 B13R1.369 C=CCCNc1ccc(cc1Br)Cl 34a_100000752454_100000754431 [0,3,0,0,0,0|1,0,0]=4 15975 B13R1.369 C=CCCNc1ccc(cc1Br)F 34a_100000738039_100000754431 [0,3,0,0,0,0|1,0,0]=4 15976 B13R1.369 C=CCCNc1ccc(cc1Br)O 34a_100012001276_100000754431 [0,3,0,0,0,0|1,0,0]=4 15977 B13R1.369 C=CCCNc1ccc(cc1C)Br 34a_100000211769_100000754431 [0,3,0,0,0,0|1,0,0]=4 15978 B13R1.369 C=CCCNc1ccc(cc1C)Br 7a_100000211769_100000754431 [0,3,0,0,0,0|1,0,0]=4 15979 B13R1.369 C=CCCNc1ccc(cc1C)C 34a_100000736561_100000754431 [0,3,0,0,0,0|1,0,0]=4 15980 B13R1.369 C=CCCNc1ccc(cc1C)C 7a_100000736561_100000754431 [0,3,0,0,0,0|1,0,0]=4 15981 B13R1.369 C=CCCNc1ccc(cc1C)Cl 34a_100000210418_100000754431 [0,3,0,0,0,0|1,0,0]=4 15982 B13R1.369 C=CCCNc1ccc(cc1C)Cl 7a_100000210418_100000754431 [0,3,0,0,0,0|1,0,0]=4 15983 B13R1.369 C=CCCNc1ccc(cc1C)F 34a_100000211637_100000754431 [0,3,0,0,0,0|1,0,0]=4 15984 B13R1.369 C=CCCNc1ccc(cc1C)F 7a_100000211637_100000754431 [0,3,0,0,0,0|1,0,0]=4 15985 B13R1.369 C=CCCNc1ccc(cc1C)I 34a_100000184554_100000754431 [0,3,0,0,0,0|1,0,0]=4 15986 B13R1.369 C=CCCNc1ccc(cc1C)I 7a_100000184554_100000754431 [0,3,0,0,0,0|1,0,0]=4 15987 B13R1.369 C=CCCNc1ccc(cc1C)O 34a_100000756630_100000754431 [0,3,0,0,0,0|1,0,0]=4 15988 B13R1.369 C=CCCNc1ccc(cc1Cl)Br 34a_100000211467_100000754431 [0,3,0,0,0,0|1,0,0]=4 15989 B13R1.369 C=CCCNc1ccc(cc1Cl)C 34a_100000210522_100000754431 [0,3,0,0,0,0|1,0,0]=4 15990 B13R1.369 C=CCCNc1ccc(cc1Cl)Cl 34a_100000185861_100000754431 [0,3,0,0,0,0|1,0,0]=4 15991 B13R1.369 C=CCCNc1ccc(cc1Cl)F 34a_100000212003_100000754431 [0,3,0,0,0,0|1,0,0]=4 15992 B13R1.369 C=CCCNc1ccc(cc1Cl)I 34a_100011218065_100000754431 [0,3,0,0,0,0|1,0,0]=4 15993 B13R1.369 C=CCCNc1ccc(cc1Cl)O 34a_100011215599_100000754431 [0,3,0,0,0,0|1,0,0]=4 15994 B13R1.369 C=CCCNc1ccc(cc1F)Br 34a_100000210722_100000754431 [0,3,0,0,0,0|1,0,0]=4 15995 B13R1.369 C=CCCNc1ccc(cc1F)C 34a_100000211023_100000754431 [0,3,0,0,0,0|1,0,0]=4 15996 B13R1.369 C=CCCNc1ccc(cc1F)Cl 34a_100000211020_100000754431 [0,3,0,0,0,0|1,0,0]=4 15997 B13R1.369 C=CCCNc1ccc(cc1F)F 34a_100000210720_100000754431 [0,3,0,0,0,0|1,0,0]=4 15998 B13R1.369 C=CCCNc1ccc(cc1F)I 34a_100011215594_100000754431 [0,3,0,0,0,0|1,0,0]=4 15999 B13R1.369 C=CCCNc1ccc(cc1F)O 34a_100000759473_100000754431 [0,3,0,0,0,0|1,0,0]=4 16000 B13R1.369 C=CCCNc1ccc(cc1I)Br 34a_100000187925_100000754431 [0,3,0,0,0,0|1,0,0]=4 16001 B13R1.369 C=CCCNc1ccc(cc1I)C 34a_100011356834_100000754431 [0,3,0,0,0,0|1,0,0]=4 16002 B13R1.369 C=CCCNc1ccc(cc1I)Cl 34a_100000761889_100000754431 [0,3,0,0,0,0|1,0,0]=4 16003 B13R1.369 C=CCCNc1ccc(cc1I)F 34a_100000760547_100000754431 [0,3,0,0,0,0|1,0,0]=4 16004 B13R1.369 C=CCCNc1ccc(cc1I)O 34a_100010084370_100000754431 [0,3,0,0,0,0|1,0,0]=4 16005 B13R1.369 C=CCCNc1ccc(cc1O)Br 34a_100000739049_100000754431 [0,3,0,0,0,0|1,0,0]=4 16006 B13R1.369 C=CCCNc1ccc(cc1O)C 34a_100000211527_100000754431 [0,3,0,0,0,0|1,0,0]=4 16007 B13R1.369 C=CCCNc1ccc(cc1O)Cl 34a_100000185728_100000754431 [0,3,0,0,0,0|1,0,0]=4 16008 B13R1.369 C=CCCNc1ccc(cc1O)F 34a_100000753323_100000754431 [0,3,0,0,0,0|1,0,0]=4 16009 B13R1.369 C=CCCNc1ccc(cc1O)O 34a_100000106777_100000754431 [0,3,0,0,0,0|1,0,0]=4 16010 B13R1.369 C=CCCOc1ccc(cc1Br)Br 34a_100000188717_100000754431 [0,3,0,0,0,0|0,0,0]=3 16011 B13R1.369 C=CCCOc1ccc(cc1Br)Br 7a_100000188717_100000754431 [0,3,0,0,0,0|0,0,0]=3 16012 B13R1.369 C=CCCOc1ccc(cc1Br)C 34a_100000210800_100000754431 [0,3,0,0,0,0|0,0,0]=3 16013 B13R1.369 C=CCCOc1ccc(cc1Br)C 7a_100000210800_100000754431 [0,3,0,0,0,0|0,0,0]=3 16014 B13R1.369 C=CCCOc1ccc(cc1Br)Cl 34a_100000211998_100000754431 [0,3,0,0,0,0|0,0,0]=3 16015 B13R1.369 C=CCCOc1ccc(cc1Br)Cl 7a_100000211998_100000754431 [0,3,0,0,0,0|0,0,0]=3 16016 B13R1.369 C=CCCOc1ccc(cc1Br)F 34a_100000211999_100000754431 [0,3,0,0,0,0|0,0,0]=3 16017 B13R1.369 C=CCCOc1ccc(cc1Br)F 7a_100000211999_100000754431 [0,3,0,0,0,0|0,0,0]=3 16018 B13R1.369 C=CCCOc1ccc(cc1Br)I 34a_100012361655_100000754431 [0,3,0,0,0,0|0,0,0]=3 16019 B13R1.369 C=CCCOc1ccc(cc1Br)I 7a_100012361655_100000754431 [0,3,0,0,0,0|0,0,0]=3 16020 B13R1.369 C=CCCOc1ccc(cc1Br)N 34a_100011534360_100000754431 [0,3,0,0,0,0|0,0,0]=3 16021 B13R1.369 C=CCCOc1ccc(cc1Br)N 7a_100011534360_100000754431 [0,3,0,0,0,0|0,0,0]=3 16022 B13R1.369 C=CCCOc1ccc(cc1C)Br 34a_100000186361_100000754431 [0,3,0,0,0,0|0,0,0]=3 16023 B13R1.369 C=CCCOc1ccc(cc1C)Br 7a_100000186361_100000754431 [0,3,0,0,0,0|0,0,0]=3 16024 B13R1.369 C=CCCOc1ccc(cc1C)C 34a_100000211776_100000754431 [0,3,0,0,0,0|0,0,0]=3 16025 B13R1.369 C=CCCOc1ccc(cc1C)C 7a_100000211776_100000754431 [0,3,0,0,0,0|0,0,0]=3 16026 B13R1.369 C=CCCOc1ccc(cc1C)Cl 34a_100000211091_100000754431 [0,3,0,0,0,0|0,0,0]=3 16027 B13R1.369 C=CCCOc1ccc(cc1C)Cl 7a_100000211091_100000754431 [0,3,0,0,0,0|0,0,0]=3 16028 B13R1.369 C=CCCOc1ccc(cc1C)F 34a_100000764316_100000754431 [0,3,0,0,0,0|0,0,0]=3 16029 B13R1.369 C=CCCOc1ccc(cc1C)F 7a_100000764316_100000754431 [0,3,0,0,0,0|0,0,0]=3 16030 B13R1.369 C=CCCOc1ccc(cc1C)I 34a_100011218673_100000754431 [0,3,0,0,0,0|0,0,0]=3 16031 B13R1.369 C=CCCOc1ccc(cc1C)I 7a_100011218673_100000754431 [0,3,0,0,0,0|0,0,0]=3 16032 B13R1.369 C=CCCOc1ccc(cc1C)N 34a_100011218179_100000754431 [0,3,0,0,0,0|0,0,0]=3 16033 B13R1.369 C=CCCOc1ccc(cc1C)N 7a_100011218179_100000754431 [0,3,0,0,0,0|0,0,0]=3 16034 B13R1.369 C=CCCOc1ccc(cc1Cl)Br 34a_100000186472_100000754431 [0,3,0,0,0,0|0,0,0]=3 16035 B13R1.369 C=CCCOc1ccc(cc1Cl)Br 7a_100000186472_100000754431 [0,3,0,0,0,0|0,0,0]=3 16036 B13R1.369 C=CCCOc1ccc(cc1Cl)C 34a_100000749699_100000754431 [0,3,0,0,0,0|0,0,0]=3 16037 B13R1.369 C=CCCOc1ccc(cc1Cl)C 7a_100000749699_100000754431 [0,3,0,0,0,0|0,0,0]=3 16038 B13R1.369 C=CCCOc1ccc(cc1Cl)Cl 34a_100015191787_100000754431 [0,3,0,0,0,0|0,0,0]=3 16039 B13R1.369 C=CCCOc1ccc(cc1Cl)Cl 7a_100015191787_100000754431 [0,3,0,0,0,0|0,0,0]=3 16040 B13R1.369 C=CCCOc1ccc(cc1Cl)F 34a_100000212004_100000754431 [0,3,0,0,0,0|0,0,0]=3 16041 B13R1.369 C=CCCOc1ccc(cc1Cl)F 7a_100000212004_100000754431 [0,3,0,0,0,0|0,0,0]=3 16042 B13R1.369 C=CCCOc1ccc(cc1Cl)I 34a_100012360047_100000754431 [0,3,0,0,0,0|0,0,0]=3 16043 B13R1.369 C=CCCOc1ccc(cc1Cl)I 7a_100012360047_100000754431 [0,3,0,0,0,0|0,0,0]=3 16044 B13R1.369 C=CCCOc1ccc(cc1Cl)N 34a_100000744943_100000754431 [0,3,0,0,0,0|0,0,0]=3 16045 B13R1.369 C=CCCOc1ccc(cc1Cl)N 7a_100000744943_100000754431 [0,3,0,0,0,0|0,0,0]=3 16046 B13R1.369 C=CCCOc1ccc(cc1F)Br 34a_100000185481_100000754431 [0,3,0,0,0,0|0,0,0]=3 16047 B13R1.369 C=CCCOc1ccc(cc1F)Br 7a_100000185481_100000754431 [0,3,0,0,0,0|0,0,0]=3 16048 B13R1.369 C=CCCOc1ccc(cc1F)C 34a_100011216688_100000754431 [0,3,0,0,0,0|0,0,0]=3 16049 B13R1.369 C=CCCOc1ccc(cc1F)C 7a_100011216688_100000754431 [0,3,0,0,0,0|0,0,0]=3 16050 B13R1.369 C=CCCOc1ccc(cc1F)Cl 34a_100000230166_100000754431 [0,3,0,0,0,0|0,0,0]=3 16051 B13R1.369 C=CCCOc1ccc(cc1F)Cl 7a_100000230166_100000754431 [0,3,0,0,0,0|0,0,0]=3 16052 B13R1.369 C=CCCOc1ccc(cc1F)F 34a_100000230127_100000754431 [0,3,0,0,0,0|0,0,0]=3 16053 B13R1.369 C=CCCOc1ccc(cc1F)F 7a_100000230127_100000754431 [0,3,0,0,0,0|0,0,0]=3 16054 B13R1.369 C=CCCOc1ccc(cc1F)I 34a_100011356965_100000754431 [0,3,0,0,0,0|0,0,0]=3 16055 B13R1.369 C=CCCOc1ccc(cc1F)I 7a_100011356965_100000754431 [0,3,0,0,0,0|0,0,0]=3 16056 B13R1.369 C=CCCOc1ccc(cc1F)N 34a_100011220035_100000754431 [0,3,0,0,0,0|0,0,0]=3 16057 B13R1.369 C=CCCOc1ccc(cc1F)N 7a_100011220035_100000754431 [0,3,0,0,0,0|0,0,0]=3 16058 B13R1.369 C=CCCOc1ccc(cc1I)Br 34a_100012355227_100000754431 [0,3,0,0,0,0|0,0,0]=3 16059 B13R1.369 C=CCCOc1ccc(cc1I)Br 7a_100012355227_100000754431 [0,3,0,0,0,0|0,0,0]=3 16060 B13R1.369 C=CCCOc1ccc(cc1I)C 34a_100000765521_100000754431 [0,3,0,0,0,0|0,0,0]=3 16061 B13R1.369 C=CCCOc1ccc(cc1I)C 7a_100000765521_100000754431 [0,3,0,0,0,0|0,0,0]=3 16062 B13R1.369 C=CCCOc1ccc(cc1I)Cl 34a_100011356953_100000754431 [0,3,0,0,0,0|0,0,0]=3 16063 B13R1.369 C=CCCOc1ccc(cc1I)Cl 7a_100011356953_100000754431 [0,3,0,0,0,0|0,0,0]=3 16064 B13R1.369 C=CCCOc1ccc(cc1I)F 34a_100012355409_100000754431 [0,3,0,0,0,0|0,0,0]=3 16065 B13R1.369 C=CCCOc1ccc(cc1I)F 7a_100012355409_100000754431 [0,3,0,0,0,0|0,0,0]=3 16066 B13R1.369 C=CCCOc1ccc(cc1I)I 7a_100010001573_100000754431 [0,3,0,0,0,0|0,0,0]=3 16067 B13R1.369 C=CCCOc1ccc(cc1N)Br 34a_100000752626_100000754431 [0,3,0,0,0,0|0,0,0]=3 16068 B13R1.369 C=CCCOc1ccc(cc1N)Br 7a_100000752626_100000754431 [0,3,0,0,0,0|0,0,0]=3 16069 B13R1.369 C=CCCOc1ccc(cc1N)C 34a_100011215204_100000754431 [0,3,0,0,0,0|0,0,0]=3 16070 B13R1.369 C=CCCOc1ccc(cc1N)C 7a_100011215204_100000754431 [0,3,0,0,0,0|0,0,0]=3 16071 B13R1.369 C=CCCOc1ccc(cc1N)Cl 34a_100000210500_100000754431 [0,3,0,0,0,0|0,0,0]=3 16072 B13R1.369 C=CCCOc1ccc(cc1N)Cl 7a_100000210500_100000754431 [0,3,0,0,0,0|0,0,0]=3 16073 B13R1.369 C=CCCOc1ccc(cc1N)F 34a_100000759472_100000754431 [0,3,0,0,0,0|0,0,0]=3 16074 B13R1.369 C=CCCOc1ccc(cc1N)F 7a_100000759472_100000754431 [0,3,0,0,0,0|0,0,0]=3 16075 B13R1.369 C=CCCOc1ccc(cc1N)I 34a_100000753495_100000754431 [0,3,0,0,0,0|0,0,0]=3 16076 B13R1.369 C=CCCOc1ccc(cc1N)I 7a_100000753495_100000754431 [0,3,0,0,0,0|0,0,0]=3 16077 B13R1.369 C=CCCOc1ccc(cc1N)N 34a_100000725306_100000754431 [0,3,0,0,0,0|0,0,0]=3 16078 B13R1.369 C=CCCOc1ccc(nc1Br)Br 34a_100009999766_100000754431 [0,3,0,0,0,0|1,0,0]=4 16079 B13R1.369 C=CCCOc1ccc(nc1Br)Br 7a_100009999766_100000754431 [0,3,0,0,0,0|1,0,0]=4 16080 B13R1.369 C=CCCOc1ccc(nc1Br)C 34a_100000702858_100000754431 [0,3,0,0,0,0|1,0,0]=4 16081 B13R1.369 C=CCCOc1ccc(nc1Br)C 7a_100000702858_100000754431 [0,3,0,0,0,0|1,0,0]=4 16082 B13R1.369 C=CCCOc1ccc(nc1Br)Cl 34a_100010219353_100000754431 [0,3,0,0,0,0|1,0,0]=4 16083 B13R1.369 C=CCCOc1ccc(nc1Br)Cl 7a_100010219353_100000754431 [0,3,0,0,0,0|1,0,0]=4 16084 B13R1.369 C=CCCOc1ccc(nc1Br)F 34a_100009887730_100000754431 [0,3,0,0,0,0|1,0,0]=4 16085 B13R1.369 C=CCCOc1ccc(nc1Br)F 7a_100009887730_100000754431 [0,3,0,0,0,0|1,0,0]=4 16086 B13R1.369 C=CCCOc1ccc(nc1Br)I 34a_100000725334_100000754431 [0,3,0,0,0,0|1,0,0]=4 16087 B13R1.369 C=CCCOc1ccc(nc1Br)I 7a_100000725334_100000754431 [0,3,0,0,0,0|1,0,0]=4 16088 B13R1.369 C=CCCOc1ccc(nc1C)Br 34a_100012002022_100000754431 [0,3,0,0,0,0|1,0,0]=4 16089 B13R1.369 C=CCCOc1ccc(nc1C)Br 7a_100012002022_100000754431 [0,3,0,0,0,0|1,0,0]=4 16090 B13R1.369 C=CCCOc1ccc(nc1C)C 34a_100011218912_100000754431 [0,3,0,0,0,0|1,0,0]=4 16091 B13R1.369 C=CCCOc1ccc(nc1C)C 7a_100011218912_100000754431 [0,3,0,0,0,0|1,0,0]=4 16092 B13R1.369 C=CCCOc1ccc(nc1C)Cl 34a_100012184626_100000754431 [0,3,0,0,0,0|1,0,0]=4 16093 B13R1.369 C=CCCOc1ccc(nc1C)Cl 7a_100012184626_100000754431 [0,3,0,0,0,0|1,0,0]=4 16094 B13R1.369 C=CCCOc1ccc(nc1C)F 34a_100009881036_100000754431 [0,3,0,0,0,0|1,0,0]=4 16095 B13R1.369 C=CCCOc1ccc(nc1C)F 7a_100009881036_100000754431 [0,3,0,0,0,0|1,0,0]=4 16096 B13R1.369 C=CCCOc1ccc(nc1C)I 34a_100010233687_100000754431 [0,3,0,0,0,0|1,0,0]=4 16097 B13R1.369 C=CCCOc1ccc(nc1C)I 7a_100010233687_100000754431 [0,3,0,0,0,0|1,0,0]=4 16098 B13R1.369 C=CCCOc1ccc(nc1Cl)Br 34a_100010246206_100000754431 [0,3,0,0,0,0|1,0,0]=4 16099 B13R1.369 C=CCCOc1ccc(nc1Cl)Br 7a_100010246206_100000754431 [0,3,0,0,0,0|1,0,0]=4 16100 B13R1.369 C=CCCOc1ccc(nc1Cl)C 34a_100000086286_100000754431 [0,3,0,0,0,0|1,0,0]=4 16101 B13R1.369 C=CCCOc1ccc(nc1Cl)C 7a_100000086286_100000754431 [0,3,0,0,0,0|1,0,0]=4 16102 B13R1.369 C=CCCOc1ccc(nc1Cl)Cl 34a_100000101165_100000754431 [0,3,0,0,0,0|1,0,0]=4 16103 B13R1.369 C=CCCOc1ccc(nc1Cl)Cl 7a_100000101165_100000754431 [0,3,0,0,0,0|1,0,0]=4 16104 B13R1.369 C=CCCOc1ccc(nc1Cl)I 34a_100000721234_100000754431 [0,3,0,0,0,0|1,0,0]=4 16105 B13R1.369 C=CCCOc1ccc(nc1Cl)I 7a_100000721234_100000754431 [0,3,0,0,0,0|1,0,0]=4 16106 B13R1.369 C=CCCOc1ccc(nc1F)Br 34a_100009819667_100000754431 [0,3,0,0,0,0|1,0,0]=4 16107 B13R1.369 C=CCCOc1ccc(nc1F)Br 7a_100009819667_100000754431 [0,3,0,0,0,0|1,0,0]=4 16108 B13R1.369 C=CCCOc1ccc(nc1F)C 34a_100000079963_100000754431 [0,3,0,0,0,0|1,0,0]=4 16109 B13R1.369 C=CCCOc1ccc(nc1F)C 7a_100000079963_100000754431 [0,3,0,0,0,0|1,0,0]=4 16110 B13R1.369 C=CCCOc1ccc(nc1F)Cl 34a_100009880201_100000754431 [0,3,0,0,0,0|1,0,0]=4 16111 B13R1.369 C=CCCOc1ccc(nc1F)Cl 7a_100009880201_100000754431 [0,3,0,0,0,0|1,0,0]=4 16112 B13R1.369 C=CCCOc1ccc(nc1F)F 34a_100000101184_100000754431 [0,3,0,0,0,0|1,0,0]=4 16113 B13R1.369 C=CCCOc1ccc(nc1F)F 7a_100000101184_100000754431 [0,3,0,0,0,0|1,0,0]=4 16114 B13R1.369 C=CCCOc1ccc(nc1I)Br 34a_100010253912_100000754431 [0,3,0,0,0,0|1,0,0]=4 16115 B13R1.369 C=CCCOc1ccc(nc1I)Br 7a_100010253912_100000754431 [0,3,0,0,0,0|1,0,0]=4 16116 B13R1.369 C=CCCOc1ccc(nc1I)C 34a_100000023897_100000754431 [0,3,0,0,0,0|1,0,0]=4 16117 B13R1.369 C=CCCOc1ccc(nc1I)C 7a_100000023897_100000754431 [0,3,0,0,0,0|1,0,0]=4 16118 B13R1.369 C=CCCOc1ccc(nc1I)Cl 34a_100000696390_100000754431 [0,3,0,0,0,0|1,0,0]=4 16119 B13R1.369 C=CCCOc1ccc(nc1I)Cl 7a_100000696390_100000754431 [0,3,0,0,0,0|1,0,0]=4 16120 B13R1.369 C=CCCOc1ccc(nc1I)F 34a_100010382442_100000754431 [0,3,0,0,0,0|1,0,0]=4 16121 B13R1.369 C=CCCOc1ccc(nc1I)F 7a_100010382442_100000754431 [0,3,0,0,0,0|1,0,0]=4 16122 B13R1.369 C=CCCOc1ccc(nc1N)Br 34a_100000685527_100000754431 [0,3,0,0,0,0|1,0,0]=4 16123 B13R1.369 C=CCCOc1ccc(nc1N)Br 7a_100000685527_100000754431 [0,3,0,0,0,0|1,0,0]=4 16124 B13R1.369 C=CCCOc1ccc(nc1N)C 34a_100000694039_100000754431 [0,3,0,0,0,0|1,0,0]=4 16125 B13R1.369 C=CCCOc1ccc(nc1N)C 7a_100000694039_100000754431 [0,3,0,0,0,0|1,0,0]=4 16126 B13R1.369 C=CCCOc1ccc(nc1N)Cl 34a_100000717809_100000754431 [0,3,0,0,0,0|1,0,0]=4 16127 B13R1.369 C=CCCOc1ccc(nc1N)Cl 7a_100000717809_100000754431 [0,3,0,0,0,0|1,0,0]=4 16128 B13R1.369 C=CCCOc1cnc(cc1Br)C 34a_100009843476_100000754431 [0,3,0,0,0,0|1,0,0]=4 16129 B13R1.369 C=CCCOc1cnc(cc1Br)C 7a_100009843476_100000754431 [0,3,0,0,0,0|1,0,0]=4 16130 B13R1.369 C=CCCOc1cnc(cc1C)C 34a_200000068632_100000754431 [0,3,0,0,0,0|1,0,0]=4 16131 B13R1.369 C=CCCOc1cnc(cc1C)C 7a_200000068632_100000754431 [0,3,0,0,0,0|1,0,0]=4 16132 B13R1.369 C=CCCOc1cnc(cc1C)Cl 34a_100000692680_100000754431 [0,3,0,0,0,0|1,0,0]=4 16133 B13R1.369 C=CCCOc1cnc(cc1C)Cl 7a_100000692680_100000754431 [0,3,0,0,0,0|1,0,0]=4 16134 B13R1.369 C=CCCOc1cnc(cc1C)F 34a_100009856773_100000754431 [0,3,0,0,0,0|1,0,0]=4 16135 B13R1.369 C=CCCOc1cnc(cc1C)F 7a_100009856773_100000754431 [0,3,0,0,0,0|1,0,0]=4 16136 B13R1.369 C=CCCOc1cnc(cc1Cl)Cl 34a_100009868576_100000754431 [0,3,0,0,0,0|1,0,0]=4 16137 B13R1.369 C=CCCOc1cnc(cc1Cl)Cl 7a_100009868576_100000754431 [0,3,0,0,0,0|1,0,0]=4 16138 B13R1.369 C=CCCOc1cnc(cc1F)F 34a_100009885687_100000754431 [0,3,0,0,0,0|1,0,0]=4 16139 B13R1.369 C=CCCOc1cnc(cc1F)F 7a_100009885687_100000754431 [0,3,0,0,0,0|1,0,0]=4 16140 B13R1.369 C=CCCOc1cnc(cc1I)Cl 34a_100000698892_100000754431 [0,3,0,0,0,0|1,0,0]=4 16141 B13R1.369 C=CCCOc1cnc(cc1I)Cl 7a_100000698892_100000754431 [0,3,0,0,0,0|1,0,0]=4 16142 B13R1.369 C=CCCOc1cnc(cc1N)Br 34a_100009819941_100000754431 [0,3,0,0,0,0|1,0,0]=4 16143 B13R1.369 C=CCCOc1cnc(cc1N)Br 7a_100009819941_100000754431 [0,3,0,0,0,0|1,0,0]=4 16144 B13R1.369 C=CCCOc1coc(cc1=O)C 34a_100000081520_100000754431 [0,3,0,0,0,0|1,0,0]=4 16145 B13R1.369 C=CCCOc1ncc(cc1Br)Br 34a_100000701035_100000754431 [0,3,0,0,0,0|1,0,0]=4 16146 B13R1.369 C=CCCOc1ncc(cc1Br)C 34a_100000719714_100000754431 [0,3,0,0,0,0|1,0,0]=4 16147 B13R1.369 C=CCCOc1ncc(cc1C)Br 34a_100000685391_100000754431 [0,3,0,0,0,0|1,0,0]=4 16148 B13R1.369 C=CCCOc1ncc(cc1Cl)Br 34a_100012339560_100000754431 [0,3,0,0,0,0|1,0,0]=4 16149 B13R1.369 C=CCCOc1ncc(cc1Cl)F 34a_100009847679_100000754431 [0,3,0,0,0,0|1,0,0]=4 16150 B13R1.369 C=CCCOc1ncc(cc1F)Cl 34a_100011998252_100000754431 [0,3,0,0,0,0|1,0,0]=4 16151 B13R1.369 C=CCCOc1ncc(cc1F)F 34a_100012025737_100000754431 [0,3,0,0,0,0|1,0,0]=4 16152 B13R1.369 C=CCCOc1ncc(cc1N)Br 34a_100000743729_100000754431 [0,3,0,0,0,0|1,0,0]=4 16153 B13R1.369 C=CCCOc1ncc(cc1N)C 34a_100012000488_100000754431 [0,3,0,0,0,0|1,0,0]=4 16154 B13R1.369 C=CCCOc1ncc(cc1N)Cl 34a_100011998249_100000754431 [0,3,0,0,0,0|1,0,0]=4 16155 B13R1.369 C=CCCSc1ccc(cc1Br)Br 62a_100000754431_100011484698 [0,3,0,0,0,0|0,1,0]=4 16156 B13R1.369 C=CCCSc1ccc(cc1Br)Br 62a_100011484698_100000754431 [0,3,0,0,0,0|0,1,0]=4 16157 B13R1.369 C=CCCSc1ccc(cc1Br)C 62a_100000754431_100009813563 [0,3,0,0,0,0|0,1,0]=4 16158 B13R1.369 C=CCCSc1ccc(cc1Br)C 62a_100009813563_100000754431 [0,3,0,0,0,0|0,1,0]=4 16159 B13R1.369 C=CCCSc1ccc(cc1Br)Cl 62a_100000754431_100011219703 [0,3,0,0,0,0|0,1,0]=4 16160 B13R1.369 C=CCCSc1ccc(cc1Br)Cl 62a_100011219703_100000754431 [0,3,0,0,0,0|0,1,0]=4 16161 B13R1.369 C=CCCSc1ccc(cc1Br)F 62a_100000754431_100011217111 [0,3,0,0,0,0|0,1,0]=4 16162 B13R1.369 C=CCCSc1ccc(cc1Br)F 62a_100011217111_100000754431 [0,3,0,0,0,0|0,1,0]=4 16163 B13R1.369 C=CCCSc1ccc(cc1Br)N 62a_100000750458_100000754431 [0,3,0,0,0,0|0,1,0]=4 16164 B13R1.369 C=CCCSc1ccc(cc1Br)N 62a_100000754431_100000750458 [0,3,0,0,0,0|0,1,0]=4 16165 B13R1.369 C=CCCSc1ccc(cc1Br)O 62a_100000701344_100000754431 [0,3,0,0,0,0|0,1,0]=4 16166 B13R1.369 C=CCCSc1ccc(cc1Br)O 62a_100000754431_100000701344 [0,3,0,0,0,0|0,1,0]=4 16167 B13R1.369 C=CCCSc1ccc(cc1C)Br 62a_100000701812_100000754431 [0,3,0,0,0,0|0,1,0]=4 16168 B13R1.369 C=CCCSc1ccc(cc1C)Br 62a_100000754431_100000701812 [0,3,0,0,0,0|0,1,0]=4 16169 B13R1.369 C=CCCSc1ccc(cc1C)C 62a_100000754431_100011217332 [0,3,0,0,0,0|0,1,0]=4 16170 B13R1.369 C=CCCSc1ccc(cc1C)C 62a_100011217332_100000754431 [0,3,0,0,0,0|0,1,0]=4 16171 B13R1.369 C=CCCSc1ccc(cc1C)Cl 62a_100000754431_100011219607 [0,3,0,0,0,0|0,1,0]=4 16172 B13R1.369 C=CCCSc1ccc(cc1C)Cl 62a_100011219607_100000754431 [0,3,0,0,0,0|0,1,0]=4 16173 B13R1.369 C=CCCSc1ccc(cc1C)F 62a_100000754431_100011205405 [0,3,0,0,0,0|0,1,0]=4 16174 B13R1.369 C=CCCSc1ccc(cc1C)F 62a_100011205405_100000754431 [0,3,0,0,0,0|0,1,0]=4 16175 B13R1.369 C=CCCSc1ccc(cc1C)N 62a_100000210723_100000754431 [0,3,0,0,0,0|0,1,0]=4 16176 B13R1.369 C=CCCSc1ccc(cc1C)N 62a_100000754431_100000210723 [0,3,0,0,0,0|0,1,0]=4 16177 B13R1.369 C=CCCSc1ccc(cc1C)O 62a_100000754431_100000690111 [0,3,0,0,0,0|0,1,0]=4 16178 B13R1.369 C=CCCSc1ccc(cc1Cl)Br 62a_100000754431_100011216062 [0,3,0,0,0,0|0,1,0]=4 16179 B13R1.369 C=CCCSc1ccc(cc1Cl)Br 62a_100011216062_100000754431 [0,3,0,0,0,0|0,1,0]=4 16180 B13R1.369 C=CCCSc1ccc(cc1Cl)C 62a_100000754431_100011263221 [0,3,0,0,0,0|0,1,0]=4 16181 B13R1.369 C=CCCSc1ccc(cc1Cl)C 62a_100011263221_100000754431 [0,3,0,0,0,0|0,1,0]=4 16182 B13R1.369 C=CCCSc1ccc(cc1Cl)Cl 62a_100000699841_100000754431 [0,3,0,0,0,0|0,1,0]=4 16183 B13R1.369 C=CCCSc1ccc(cc1Cl)Cl 62a_100000754431_100000699841 [0,3,0,0,0,0|0,1,0]=4 16184 B13R1.369 C=CCCSc1ccc(cc1Cl)F 62a_100000733362_100000754431 [0,3,0,0,0,0|0,1,0]=4 16185 B13R1.369 C=CCCSc1ccc(cc1Cl)F 62a_100000754431_100000733362 [0,3,0,0,0,0|0,1,0]=4 16186 B13R1.369 C=CCCSc1ccc(cc1Cl)N 62a_100000754431_100000761885 [0,3,0,0,0,0|0,1,0]=4 16187 B13R1.369 C=CCCSc1ccc(cc1Cl)N 62a_100000761885_100000754431 [0,3,0,0,0,0|0,1,0]=4 16188 B13R1.369 C=CCCSc1ccc(cc1Cl)O 62a_100000047559_100000754431 [0,3,0,0,0,0|0,1,0]=4 16189 B13R1.369 C=CCCSc1ccc(cc1Cl)O 62a_100000754431_100000047559 [0,3,0,0,0,0|0,1,0]=4 16190 B13R1.369 C=CCCSc1ccc(cc1F)Br 62a_100000754431_100009814013 [0,3,0,0,0,0|0,1,0]=4 16191 B13R1.369 C=CCCSc1ccc(cc1F)Br 62a_100009814013_100000754431 [0,3,0,0,0,0|0,1,0]=4 16192 B13R1.369 C=CCCSc1ccc(cc1F)C 62a_100000754431_100011216119 [0,3,0,0,0,0|0,1,0]=4 16193 B13R1.369 C=CCCSc1ccc(cc1F)C 62a_100011216119_100000754431 [0,3,0,0,0,0|0,1,0]=4 16194 B13R1.369 C=CCCSc1ccc(cc1F)Cl 62a_100000754431_100011216042 [0,3,0,0,0,0|0,1,0]=4 16195 B13R1.369 C=CCCSc1ccc(cc1F)Cl 62a_100011216042_100000754431 [0,3,0,0,0,0|0,1,0]=4 16196 B13R1.369 C=CCCSc1ccc(cc1F)F 62a_100000750030_100000754431 [0,3,0,0,0,0|0,1,0]=4 16197 B13R1.369 C=CCCSc1ccc(cc1F)F 62a_100000754431_100000750030 [0,3,0,0,0,0|0,1,0]=4 16198 B13R1.369 C=CCCSc1ccc(cc1F)N 62a_100000754431_100011356925 [0,3,0,0,0,0|0,1,0]=4 16199 B13R1.369 C=CCCSc1ccc(cc1F)N 62a_100011356925_100000754431 [0,3,0,0,0,0|0,1,0]=4 16200 B13R1.369 C=CCCSc1ccc(cc1F)O 62a_100000754431_100000755031 [0,3,0,0,0,0|0,1,0]=4 16201 B13R1.369 C=CCCSc1ccc(cc1F)O 62a_100000755031_100000754431 [0,3,0,0,0,0|0,1,0]=4 16202 B13R1.369 C=CCCSc1ccc(cc1N)Br 62a_100000743836_100000754431 [0,3,0,0,0,0|0,1,0]=4 16203 B13R1.369 C=CCCSc1ccc(cc1N)Br 62a_100000754431_100000743836 [0,3,0,0,0,0|0,1,0]=4 16204 B13R1.369 C=CCCSc1ccc(cc1N)C 62a_100000754431_100011216686 [0,3,0,0,0,0|0,1,0]=4 16205 B13R1.369 C=CCCSc1ccc(cc1N)C 62a_100011216686_100000754431 [0,3,0,0,0,0|0,1,0]=4 16206 B13R1.369 C=CCCSc1ccc(cc1N)Cl 62a_100000754431_100000761886 [0,3,0,0,0,0|0,1,0]=4 16207 B13R1.369 C=CCCSc1ccc(cc1N)Cl 62a_100000761886_100000754431 [0,3,0,0,0,0|0,1,0]=4 16208 B13R1.369 C=CCCSc1ccc(cc1N)F 62a_100000687223_100000754431 [0,3,0,0,0,0|0,1,0]=4 16209 B13R1.369 C=CCCSc1ccc(cc1N)F 62a_100000754431_100000687223 [0,3,0,0,0,0|0,1,0]=4 16210 B13R1.369 C=CCCSc1ccc(cc1N)N 62a_100000754431_200012175722 [0,3,0,0,0,0|0,1,0]=4 16211 B13R1.369 C=CCCSc1ccc(cc1N)N 62a_200012175722_100000754431 [0,3,0,0,0,0|0,1,0]=4 16212 B13R1.369 C=CCCSc1ccc(cc1N)O 62a_100000754431_100011999798 [0,3,0,0,0,0|0,1,0]=4 16213 B13R1.369 C=CCCSc1ccc(cc1N)O 62a_100011999798_100000754431 [0,3,0,0,0,0|0,1,0]=4 16214 B13R1.369 C=CCCSc1ccc(cc1O)Br 62a_100000754431_100012344904 [0,3,0,0,0,0|0,1,0]=4 16215 B13R1.369 C=CCCSc1ccc(cc1O)Br 62a_100012344904_100000754431 [0,3,0,0,0,0|0,1,0]=4 16216 B13R1.369 C=CCCSc1ccc(cc1O)C 62a_100000754431_100012002257 [0,3,0,0,0,0|0,1,0]=4 16217 B13R1.369 C=CCCSc1ccc(cc1O)C 62a_100012002257_100000754431 [0,3,0,0,0,0|0,1,0]=4 16218 B13R1.369 C=CCCSc1ccc(cc1O)Cl 62a_100000050036_100000754431 [0,3,0,0,0,0|0,1,0]=4 16219 B13R1.369 C=CCCSc1ccc(cc1O)Cl 62a_100000754431_100000050036 [0,3,0,0,0,0|0,1,0]=4 16220 B13R1.369 C=CCCSc1ccc(cc1O)F 62a_100000690578_100000754431 [0,3,0,0,0,0|0,1,0]=4 16221 B13R1.369 C=CCCSc1ccc(cc1O)F 62a_100000754431_100000690578 [0,3,0,0,0,0|0,1,0]=4 16222 B13R1.369 C=CCCSc1ccc(cc1O)O 62a_100000754431_100009813921 [0,3,0,0,0,0|0,1,0]=4 16223 B13R1.369 C=CCNCc1ccc(cc1Br)Br 2230a_100020586998_200012351560 [0,3,0,0,0,0|1,0,0]=4 16224 B13R1.369 C=CCNCc1ccc(cc1Br)Br 270004a_100020586998_100012351556 [0,3,0,0,0,0|1,0,0]=4 16225 B13R1.369 C=CCNCc1ccc(cc1Br)C 270004a_100020586998_100000692596 [0,3,0,0,0,0|1,0,0]=4 16226 B13R1.369 C=CCNCc1ccc(cc1Br)Cl 2230a_100020586998_100000755608 [0,3,0,0,0,0|1,0,0]=4 16227 B13R1.369 C=CCNCc1ccc(cc1Br)Cl 270004a_100020586998_100000687667 [0,3,0,0,0,0|1,0,0]=4 16228 B13R1.369 C=CCNCc1ccc(cc1Br)Cl 34a_100102692131_100015514636 [0,3,0,0,0,0|1,0,0]=4 16229 B13R1.369 C=CCNCc1ccc(cc1Br)F 2230a_100020586998_100000243222 [0,3,0,0,0,0|1,0,0]=4 16230 B13R1.369 C=CCNCc1ccc(cc1Br)F 270004a_100020586998_100000685661 [0,3,0,0,0,0|1,0,0]=4 16231 B13R1.369 C=CCNCc1ccc(cc1Br)F 34a_100000708791_100015514636 [0,3,0,0,0,0|1,0,0]=4 16232 B13R1.369 C=CCNCc1ccc(cc1Br)I 2230a_100020586998_100010146610 [0,3,0,0,0,0|1,0,0]=4 16233 B13R1.369 C=CCNCc1ccc(cc1C)Br 2230a_100020586998_100000708836 [0,3,0,0,0,0|1,0,0]=4 16234 B13R1.369 C=CCNCc1ccc(cc1C)Br 270004a_100020586998_100000687586 [0,3,0,0,0,0|1,0,0]=4 16235 B13R1.369 C=CCNCc1ccc(cc1C)Br 34a_100000753881_100015514636 [0,3,0,0,0,0|1,0,0]=4 16236 B13R1.369 C=CCNCc1ccc(cc1C)C 2230a_100020586998_100011219618 [0,3,0,0,0,0|1,0,0]=4 16237 B13R1.369 C=CCNCc1ccc(cc1C)C 270004a_100020586998_100000211342 [0,3,0,0,0,0|1,0,0]=4 16238 B13R1.369 C=CCNCc1ccc(cc1C)C 34a_100000737523_100015514636 [0,3,0,0,0,0|1,0,0]=4 16239 B13R1.369 C=CCNCc1ccc(cc1C)Cl 2230a_100020586998_100012361307 [0,3,0,0,0,0|1,0,0]=4 16240 B13R1.369 C=CCNCc1ccc(cc1C)Cl 270004a_100020586998_100000766358 [0,3,0,0,0,0|1,0,0]=4 16241 B13R1.369 C=CCNCc1ccc(cc1C)Cl 34a_103436540063_100015514636 [0,3,0,0,0,0|1,0,0]=4 16242 B13R1.369 C=CCNCc1ccc(cc1C)F 2230a_100020586998_100000700533 [0,3,0,0,0,0|1,0,0]=4 16243 B13R1.369 C=CCNCc1ccc(cc1C)F 270004a_100020586998_100000745986 [0,3,0,0,0,0|1,0,0]=4 16244 B13R1.369 C=CCNCc1ccc(cc1C)F 34a_100137329023_100015514636 [0,3,0,0,0,0|1,0,0]=4 16245 B13R1.369 C=CCNCc1ccc(cc1Cl)Br 2230a_100020586998_100011740631 [0,3,0,0,0,0|1,0,0]=4 16246 B13R1.369 C=CCNCc1ccc(cc1Cl)Br 270004a_100020586998_100000764164 [0,3,0,0,0,0|1,0,0]=4 16247 B13R1.369 C=CCNCc1ccc(cc1Cl)Br 34a_100020628970_100015514636 [0,3,0,0,0,0|1,0,0]=4 16248 B13R1.369 C=CCNCc1ccc(cc1Cl)C 2230a_100020586998_100012349684 [0,3,0,0,0,0|1,0,0]=4 16249 B13R1.369 C=CCNCc1ccc(cc1Cl)C 270004a_100020586998_100011935181 [0,3,0,0,0,0|1,0,0]=4 16250 B13R1.369 C=CCNCc1ccc(cc1Cl)C 34a_100011997539_100015514636 [0,3,0,0,0,0|1,0,0]=4 16251 B13R1.369 C=CCNCc1ccc(cc1Cl)Cl 2230a_100020586998_100000188473 [0,3,0,0,0,0|1,0,0]=4 16252 B13R1.369 C=CCNCc1ccc(cc1Cl)Cl 270004a_100020586998_100000188887 [0,3,0,0,0,0|1,0,0]=4 16253 B13R1.369 C=CCNCc1ccc(cc1Cl)Cl 34a_100000174880_100015514636 [0,3,0,0,0,0|1,0,0]=4 16254 B13R1.369 C=CCNCc1ccc(cc1Cl)F 2230a_100020586998_100011216360 [0,3,0,0,0,0|1,0,0]=4 16255 B13R1.369 C=CCNCc1ccc(cc1Cl)F 270004a_100020586998_100000752949 [0,3,0,0,0,0|1,0,0]=4 16256 B13R1.369 C=CCNCc1ccc(cc1Cl)F 34a_100000174946_100015514636 [0,3,0,0,0,0|1,0,0]=4 16257 B13R1.369 C=CCNCc1ccc(cc1Cl)O 34a_200161156549_100015514636 [0,3,0,0,0,0|1,0,0]=4 16258 B13R1.369 C=CCNCc1ccc(cc1F)Br 2230a_100020586998_100000211606 [0,3,0,0,0,0|1,0,0]=4 16259 B13R1.369 C=CCNCc1ccc(cc1F)Br 270004a_100020586998_100000211676 [0,3,0,0,0,0|1,0,0]=4 16260 B13R1.369 C=CCNCc1ccc(cc1F)Br 34a_100000754580_100015514636 [0,3,0,0,0,0|1,0,0]=4 16261 B13R1.369 C=CCNCc1ccc(cc1F)C 2230a_100020586998_100011217900 [0,3,0,0,0,0|1,0,0]=4 16262 B13R1.369 C=CCNCc1ccc(cc1F)C 270004a_100020586998_100011217368 [0,3,0,0,0,0|1,0,0]=4 16263 B13R1.369 C=CCNCc1ccc(cc1F)C 34a_100102887089_100015514636 [0,3,0,0,0,0|1,0,0]=4 16264 B13R1.369 C=CCNCc1ccc(cc1F)Cl 2230a_100020586998_100000709361 [0,3,0,0,0,0|1,0,0]=4 16265 B13R1.369 C=CCNCc1ccc(cc1F)Cl 270004a_100020586998_100000697372 [0,3,0,0,0,0|1,0,0]=4 16266 B13R1.369 C=CCNCc1ccc(cc1F)Cl 34a_100000708496_100015514636 [0,3,0,0,0,0|1,0,0]=4 16267 B13R1.369 C=CCNCc1ccc(cc1F)F 2230a_100020586998_100000748237 [0,3,0,0,0,0|1,0,0]=4 16268 B13R1.369 C=CCNCc1ccc(cc1F)F 270004a_100020586998_100000211964 [0,3,0,0,0,0|1,0,0]=4 16269 B13R1.369 C=CCNCc1ccc(cc1F)F 34a_100000737868_100015514636 [0,3,0,0,0,0|1,0,0]=4 16270 B13R1.369 C=CCNCc1ccc(cc1F)I 2230a_100020586998_100010244991 [0,3,0,0,0,0|1,0,0]=4 16271 B13R1.369 C=CCNCc1ccc(cc1I)Br 2230a_100020586998_100010146615 [0,3,0,0,0,0|1,0,0]=4 16272 B13R1.369 C=CCNCc1ccc(cc1I)Br 270004a_100020586998_100010146562 [0,3,0,0,0,0|1,0,0]=4 16273 B13R1.369 C=CCNCc1ccc(cc1I)C 270004a_100020586998_100010150104 [0,3,0,0,0,0|1,0,0]=4 16274 B13R1.369 C=CCNCc1ccc(cc1I)Cl 2230a_100020586998_100010254388 [0,3,0,0,0,0|1,0,0]=4 16275 B13R1.369 C=CCNCc1ccc(cc1I)F 2230a_100020586998_100012354799 [0,3,0,0,0,0|1,0,0]=4 16276 B13R1.369 C=CCOCc1ccc(cc1Br)Br 34a_100012357508_100015514636 [0,3,0,0,0,0|0,0,0]=3 16277 B13R1.369 C=CCOCc1ccc(cc1Br)Br 34a_200000210373_200012351560 [0,3,0,0,0,0|0,0,0]=3 16278 B13R1.369 C=CCOCc1ccc(cc1Br)Br 7a_100012357508_100015514636 [0,3,0,0,0,0|0,0,0]=3 16279 B13R1.369 C=CCOCc1ccc(cc1Br)Cl 34a_100000707881_100015514636 [0,3,0,0,0,0|0,0,0]=3 16280 B13R1.369 C=CCOCc1ccc(cc1Br)Cl 34a_200000210373_100000755608 [0,3,0,0,0,0|0,0,0]=3 16281 B13R1.369 C=CCOCc1ccc(cc1Br)Cl 7a_100000707881_100015514636 [0,3,0,0,0,0|0,0,0]=3 16282 B13R1.369 C=CCOCc1ccc(cc1Br)F 34a_100000744086_100015514636 [0,3,0,0,0,0|0,0,0]=3 16283 B13R1.369 C=CCOCc1ccc(cc1Br)F 34a_200000210373_100000243222 [0,3,0,0,0,0|0,0,0]=3 16284 B13R1.369 C=CCOCc1ccc(cc1Br)F 7a_100000744086_100015514636 [0,3,0,0,0,0|0,0,0]=3 16285 B13R1.369 C=CCOCc1ccc(cc1Br)I 34a_200000210373_100010146610 [0,3,0,0,0,0|0,0,0]=3 16286 B13R1.369 C=CCOCc1ccc(cc1Br)I 7a_100010240206_100015514636 [0,3,0,0,0,0|0,0,0]=3 16287 B13R1.369 C=CCOCc1ccc(cc1C)Br 34a_100000748258_100015514636 [0,3,0,0,0,0|0,0,0]=3 16288 B13R1.369 C=CCOCc1ccc(cc1C)Br 34a_200000210373_100000708836 [0,3,0,0,0,0|0,0,0]=3 16289 B13R1.369 C=CCOCc1ccc(cc1C)Br 7a_100000748258_100015514636 [0,3,0,0,0,0|0,0,0]=3 16290 B13R1.369 C=CCOCc1ccc(cc1C)C 34a_100011215341_100015514636 [0,3,0,0,0,0|0,0,0]=3 16291 B13R1.369 C=CCOCc1ccc(cc1C)C 34a_200000210373_100011219618 [0,3,0,0,0,0|0,0,0]=3 16292 B13R1.369 C=CCOCc1ccc(cc1C)C 7a_100011215341_100015514636 [0,3,0,0,0,0|0,0,0]=3 16293 B13R1.369 C=CCOCc1ccc(cc1C)Cl 34a_100000702939_100015514636 [0,3,0,0,0,0|0,0,0]=3 16294 B13R1.369 C=CCOCc1ccc(cc1C)Cl 34a_200000210373_100012361307 [0,3,0,0,0,0|0,0,0]=3 16295 B13R1.369 C=CCOCc1ccc(cc1C)Cl 7a_100000702939_100015514636 [0,3,0,0,0,0|0,0,0]=3 16296 B13R1.369 C=CCOCc1ccc(cc1C)F 34a_100000700136_100015514636 [0,3,0,0,0,0|0,0,0]=3 16297 B13R1.369 C=CCOCc1ccc(cc1C)F 34a_200000210373_100000700533 [0,3,0,0,0,0|0,0,0]=3 16298 B13R1.369 C=CCOCc1ccc(cc1C)F 7a_100000700136_100015514636 [0,3,0,0,0,0|0,0,0]=3 16299 B13R1.369 C=CCOCc1ccc(cc1C)N 34a_100000102464_100015514636 [0,3,0,0,0,0|0,0,0]=3 16300 B13R1.369 C=CCOCc1ccc(cc1C)N 7a_100000102464_100015514636 [0,3,0,0,0,0|0,0,0]=3 16301 B13R1.369 C=CCOCc1ccc(cc1Cl)Br 34a_100000756401_100015514636 [0,3,0,0,0,0|0,0,0]=3 16302 B13R1.369 C=CCOCc1ccc(cc1Cl)Br 34a_200000210373_100011740631 [0,3,0,0,0,0|0,0,0]=3 16303 B13R1.369 C=CCOCc1ccc(cc1Cl)Br 7a_100000756401_100015514636 [0,3,0,0,0,0|0,0,0]=3 16304 B13R1.369 C=CCOCc1ccc(cc1Cl)C 34a_100000720314_100015514636 [0,3,0,0,0,0|0,0,0]=3 16305 B13R1.369 C=CCOCc1ccc(cc1Cl)C 34a_200000210373_100012349684 [0,3,0,0,0,0|0,0,0]=3 16306 B13R1.369 C=CCOCc1ccc(cc1Cl)C 7a_100000720314_100015514636 [0,3,0,0,0,0|0,0,0]=3 16307 B13R1.369 C=CCOCc1ccc(cc1Cl)Cl 34a_100000215721_100015514636 [0,3,0,0,0,0|0,0,0]=3 16308 B13R1.369 C=CCOCc1ccc(cc1Cl)Cl 34a_200000210373_100000188473 [0,3,0,0,0,0|0,0,0]=3 16309 B13R1.369 C=CCOCc1ccc(cc1Cl)Cl 7a_100000215721_100015514636 [0,3,0,0,0,0|0,0,0]=3 16310 B13R1.369 C=CCOCc1ccc(cc1Cl)F 34a_100011219954_100015514636 [0,3,0,0,0,0|0,0,0]=3 16311 B13R1.369 C=CCOCc1ccc(cc1Cl)F 34a_200000210373_100011216360 [0,3,0,0,0,0|0,0,0]=3 16312 B13R1.369 C=CCOCc1ccc(cc1Cl)F 7a_100011219954_100015514636 [0,3,0,0,0,0|0,0,0]=3 16313 B13R1.369 C=CCOCc1ccc(cc1Cl)N 34a_100000689119_100015514636 [0,3,0,0,0,0|0,0,0]=3 16314 B13R1.369 C=CCOCc1ccc(cc1F)Br 34a_100011191541_100015514636 [0,3,0,0,0,0|0,0,0]=3 16315 B13R1.369 C=CCOCc1ccc(cc1F)Br 34a_200000210373_100000211606 [0,3,0,0,0,0|0,0,0]=3 16316 B13R1.369 C=CCOCc1ccc(cc1F)Br 7a_100011191541_100015514636 [0,3,0,0,0,0|0,0,0]=3 16317 B13R1.369 C=CCOCc1ccc(cc1F)C 34a_100011216587_100015514636 [0,3,0,0,0,0|0,0,0]=3 16318 B13R1.369 C=CCOCc1ccc(cc1F)C 34a_200000210373_100012002367 [0,3,0,0,0,0|0,0,0]=3 16319 B13R1.369 C=CCOCc1ccc(cc1F)C 7a_100011216587_100015514636 [0,3,0,0,0,0|0,0,0]=3 16320 B13R1.369 C=CCOCc1ccc(cc1F)Cl 34a_100011217562_100015514636 [0,3,0,0,0,0|0,0,0]=3 16321 B13R1.369 C=CCOCc1ccc(cc1F)Cl 34a_200000210373_100000709361 [0,3,0,0,0,0|0,0,0]=3 16322 B13R1.369 C=CCOCc1ccc(cc1F)Cl 7a_100011217562_100015514636 [0,3,0,0,0,0|0,0,0]=3 16323 B13R1.369 C=CCOCc1ccc(cc1F)F 34a_100011215441_100015514636 [0,3,0,0,0,0|0,0,0]=3 16324 B13R1.369 C=CCOCc1ccc(cc1F)F 34a_200000210373_100000748237 [0,3,0,0,0,0|0,0,0]=3 16325 B13R1.369 C=CCOCc1ccc(cc1F)F 7a_100011215441_100015514636 [0,3,0,0,0,0|0,0,0]=3 16326 B13R1.369 C=CCOCc1ccc(cc1F)I 34a_200000210373_100010244991 [0,3,0,0,0,0|0,0,0]=3 16327 B13R1.369 C=CCOCc1ccc(cc1F)I 34a_200010202041_100015514636 [0,3,0,0,0,0|0,0,0]=3 16328 B13R1.369 C=CCOCc1ccc(cc1F)I 7a_200010202041_100015514636 [0,3,0,0,0,0|0,0,0]=3 16329 B13R1.369 C=CCOCc1ccc(cc1I)Br 34a_200000210373_100010146615 [0,3,0,0,0,0|0,0,0]=3 16330 B13R1.369 C=CCOCc1ccc(cc1I)Br 7a_100010146605_100015514636 [0,3,0,0,0,0|0,0,0]=3 16331 B13R1.369 C=CCOCc1ccc(cc1I)Cl 34a_100000722340_100015514636 [0,3,0,0,0,0|0,0,0]=3 16332 B13R1.369 C=CCOCc1ccc(cc1I)Cl 34a_200000210373_100010254388 [0,3,0,0,0,0|0,0,0]=3 16333 B13R1.369 C=CCOCc1ccc(cc1I)Cl 7a_100000722340_100015514636 [0,3,0,0,0,0|0,0,0]=3 16334 B13R1.369 C=CCOCc1ccc(cc1I)F 34a_100011356828_100015514636 [0,3,0,0,0,0|0,0,0]=3 16335 B13R1.369 C=CCOCc1ccc(cc1I)F 34a_200000210373_100012354799 [0,3,0,0,0,0|0,0,0]=3 16336 B13R1.369 C=CCOCc1ccc(cc1I)F 7a_100011356828_100015514636 [0,3,0,0,0,0|0,0,0]=3 16337 B13R1.369 C=CCOCc1ccc(cc1N)Br 34a_100000718831_100015514636 [0,3,0,0,0,0|0,0,0]=3 16338 B13R1.369 C=CCOCc1ccc(cc1N)Br 7a_100000718831_100015514636 [0,3,0,0,0,0|0,0,0]=3 16339 B13R1.369 C=CCOCc1ccc(cc1N)C 34a_100000087799_100015514636 [0,3,0,0,0,0|0,0,0]=3 16340 B13R1.369 C=CCOCc1ccc(cc1N)C 7a_100000087799_100015514636 [0,3,0,0,0,0|0,0,0]=3 16341 B13R1.369 C=CCOCc1ccc(cc1N)Cl 34a_100000238622_100015514636 [0,3,0,0,0,0|0,0,0]=3 16342 B13R1.369 C=CCOCc1ccc(cc1N)Cl 7a_100000238622_100015514636 [0,3,0,0,0,0|0,0,0]=3 16343 B13R1.369 C=CCOCc1ccc(cc1N)F 34a_100011996588_100015514636 [0,3,0,0,0,0|0,0,0]=3 16344 B13R1.369 C=CCOCc1ccc(nc1Br)Br 34a_200010005763_100015514636 [0,3,0,0,0,0|1,0,0]=4 16345 B13R1.369 C=CCOCc1ccc(nc1Br)Br 7a_200010005763_100015514636 [0,3,0,0,0,0|1,0,0]=4 16346 B13R1.369 C=CCOCc1ccc(nc1Br)C 34a_200000210373_200010064658 [0,3,0,0,0,0|1,0,0]=4 16347 B13R1.369 C=CCOCc1ccc(nc1C)C 34a_100011756430_100015514636 [0,3,0,0,0,0|1,0,0]=4 16348 B13R1.369 C=CCOCc1ccc(nc1C)C 7a_100011756430_100015514636 [0,3,0,0,0,0|1,0,0]=4 16349 B13R1.369 C=CCOCc1ccc(nc1C)F 34a_100000081978_100015514636 [0,3,0,0,0,0|1,0,0]=4 16350 B13R1.369 C=CCOCc1ccc(nc1C)F 7a_100000081978_100015514636 [0,3,0,0,0,0|1,0,0]=4 16351 B13R1.369 C=CCOCc1ccc(nc1Cl)C 34a_102495338573_100015514636 [0,3,0,0,0,0|1,0,0]=4 16352 B13R1.369 C=CCOCc1ccc(nc1Cl)C 7a_102495338573_100015514636 [0,3,0,0,0,0|1,0,0]=4 16353 B13R1.369 C=CCOCc1ccc(nc1Cl)Cl 34a_100000720492_100015514636 [0,3,0,0,0,0|1,0,0]=4 16354 B13R1.369 C=CCOCc1ccc(nc1Cl)Cl 34a_200000210373_100000722033 [0,3,0,0,0,0|1,0,0]=4 16355 B13R1.369 C=CCOCc1ccc(nc1Cl)Cl 7a_100000720492_100015514636 [0,3,0,0,0,0|1,0,0]=4 16356 B13R1.369 C=CCOCc1ccc(nc1F)Br 34a_100010065253_100015514636 [0,3,0,0,0,0|1,0,0]=4 16357 B13R1.369 C=CCOCc1ccc(nc1F)Br 7a_100010065253_100015514636 [0,3,0,0,0,0|1,0,0]=4 16358 B13R1.369 C=CCOCc1ccc(nc1F)Cl 34a_100009870654_100015514636 [0,3,0,0,0,0|1,0,0]=4 16359 B13R1.369 C=CCOCc1ccc(nc1F)Cl 7a_100009870654_100015514636 [0,3,0,0,0,0|1,0,0]=4 16360 B13R1.369 C=CCOCc1cnc(cc1C)Cl 34a_100010277336_100015514636 [0,3,0,0,0,0|1,0,0]=4 16361 B13R1.369 C=CCOCc1cnc(cc1C)Cl 7a_100010277336_100015514636 [0,3,0,0,0,0|1,0,0]=4 16362 B13R1.369 C=CCOCc1cnc(cc1C)F 34a_200000210373_100010382440 [0,3,0,0,0,0|1,0,0]=4 16363 B13R1.369 C=CCOCc1cnc(cc1Cl)Cl 34a_100000702863_100015514636 [0,3,0,0,0,0|1,0,0]=4 16364 B13R1.369 C=CCOCc1cnc(cc1Cl)Cl 34a_200000210373_100011997056 [0,3,0,0,0,0|1,0,0]=4 16365 B13R1.369 C=CCOCc1cnc(cc1Cl)Cl 7a_100000702863_100015514636 [0,3,0,0,0,0|1,0,0]=4 16366 B13R1.369 C=CCOCc1cnc(cc1N)C 34a_200012022818_100015514636 [0,3,0,0,0,0|1,0,0]=4 16367 B13R1.369 C=CCOCc1cnc(cc1N)Cl 34a_100009830438_100015514636 [0,3,0,0,0,0|1,0,0]=4 16368 B13R1.369 C=CCOCc1ncc(cc1Br)Br 34a_100012354961_100015514636 [0,3,0,0,0,0|1,0,0]=4 16369 B13R1.369 C=CCOCc1ncc(cc1Br)Br 7a_100012354961_100015514636 [0,3,0,0,0,0|1,0,0]=4 16370 B13R1.369 C=CCOCc1ncc(cc1Br)Cl 34a_100010065237_100015514636 [0,3,0,0,0,0|1,0,0]=4 16371 B13R1.369 C=CCOCc1ncc(cc1Br)Cl 7a_100010065237_100015514636 [0,3,0,0,0,0|1,0,0]=4 16372 B13R1.369 C=CCOCc1ncc(cc1C)Br 34a_100010116297_100015514636 [0,3,0,0,0,0|1,0,0]=4 16373 B13R1.369 C=CCOCc1ncc(cc1C)Br 7a_100010116297_100015514636 [0,3,0,0,0,0|1,0,0]=4 16374 B13R1.369 C=CCOCc1ncc(cc1C)C 34a_100012000483_100015514636 [0,3,0,0,0,0|1,0,0]=4 16375 B13R1.369 C=CCOCc1ncc(cc1C)C 34a_200000210373_100016990036 [0,3,0,0,0,0|1,0,0]=4 16376 B13R1.369 C=CCOCc1ncc(cc1C)C 7a_100012000483_100015514636 [0,3,0,0,0,0|1,0,0]=4 16377 B13R1.369 C=CCOCc1ncc(cc1Cl)Br 34a_100010065239_100015514636 [0,3,0,0,0,0|1,0,0]=4 16378 B13R1.369 C=CCOCc1ncc(cc1Cl)Br 7a_100010065239_100015514636 [0,3,0,0,0,0|1,0,0]=4 16379 B13R1.369 C=CCOCc1ncc(cc1Cl)Cl 34a_100103146734_100015514636 [0,3,0,0,0,0|1,0,0]=4 16380 B13R1.369 C=CCOCc1ncc(cc1Cl)Cl 7a_100103146734_100015514636 [0,3,0,0,0,0|1,0,0]=4 16381 B13R1.369 C=CCOCc1ncc(cc1F)Br 34a_100010065252_100015514636 [0,3,0,0,0,0|1,0,0]=4 16382 B13R1.369 C=CCOCc1ncc(cc1F)Br 7a_100010065252_100015514636 [0,3,0,0,0,0|1,0,0]=4 16383 B13R1.369 C=CCOCc1ncc(cc1F)Cl 34a_100009885607_100015514636 [0,3,0,0,0,0|1,0,0]=4 16384 B13R1.369 C=CCOCc1ncc(cc1F)Cl 34a_200000210373_200009879301 [0,3,0,0,0,0|1,0,0]=4 16385 B13R1.369 C=CCOCc1ncc(cc1F)Cl 7a_100009885607_100015514636 [0,3,0,0,0,0|1,0,0]=4 16386 B13R1.369 C=CCOCc1ncc(cc1F)F 34a_100000104222_100015514636 [0,3,0,0,0,0|1,0,0]=4 16387 B13R1.369 C=CCOCc1ncc(cc1F)F 7a_100000104222_100015514636 [0,3,0,0,0,0|1,0,0]=4 16388 B13R1.369 C=CCSCc1ccc(cc1Br)Br 62a_100000210623_200012351560 [0,3,0,0,0,0|0,1,0]=4 16389 B13R1.369 C=CCSCc1ccc(cc1Br)Br 62a_200012351560_100000210623 [0,3,0,0,0,0|0,1,0]=4 16390 B13R1.369 C=CCSCc1ccc(cc1Br)Cl 62a_100000210623_100000755608 [0,3,0,0,0,0|0,1,0]=4 16391 B13R1.369 C=CCSCc1ccc(cc1Br)Cl 62a_100000755608_100000210623 [0,3,0,0,0,0|0,1,0]=4 16392 B13R1.369 C=CCSCc1ccc(cc1Br)F 62a_100000210623_100000243222 [0,3,0,0,0,0|0,1,0]=4 16393 B13R1.369 C=CCSCc1ccc(cc1Br)F 62a_100000243222_100000210623 [0,3,0,0,0,0|0,1,0]=4 16394 B13R1.369 C=CCSCc1ccc(cc1Br)I 62a_100000210623_100010146610 [0,3,0,0,0,0|0,1,0]=4 16395 B13R1.369 C=CCSCc1ccc(cc1Br)I 62a_100010146610_100000210623 [0,3,0,0,0,0|0,1,0]=4 16396 B13R1.369 C=CCSCc1ccc(cc1C)Br 62a_100000210623_100000708836 [0,3,0,0,0,0|0,1,0]=4 16397 B13R1.369 C=CCSCc1ccc(cc1C)Br 62a_100000708836_100000210623 [0,3,0,0,0,0|0,1,0]=4 16398 B13R1.369 C=CCSCc1ccc(cc1C)C 62a_100000210623_100011219618 [0,3,0,0,0,0|0,1,0]=4 16399 B13R1.369 C=CCSCc1ccc(cc1C)C 62a_100011219618_100000210623 [0,3,0,0,0,0|0,1,0]=4 16400 B13R1.369 C=CCSCc1ccc(cc1C)Cl 62a_100000210623_100012361307 [0,3,0,0,0,0|0,1,0]=4 16401 B13R1.369 C=CCSCc1ccc(cc1C)Cl 62a_100012361307_100000210623 [0,3,0,0,0,0|0,1,0]=4 16402 B13R1.369 C=CCSCc1ccc(cc1C)F 62a_100000210623_100000700533 [0,3,0,0,0,0|0,1,0]=4 16403 B13R1.369 C=CCSCc1ccc(cc1C)F 62a_100000700533_100000210623 [0,3,0,0,0,0|0,1,0]=4 16404 B13R1.369 C=CCSCc1ccc(cc1Cl)Br 62a_100000210623_100011740631 [0,3,0,0,0,0|0,1,0]=4 16405 B13R1.369 C=CCSCc1ccc(cc1Cl)Br 62a_100011740631_100000210623 [0,3,0,0,0,0|0,1,0]=4 16406 B13R1.369 C=CCSCc1ccc(cc1Cl)C 62a_100000210623_100012349684 [0,3,0,0,0,0|0,1,0]=4 16407 B13R1.369 C=CCSCc1ccc(cc1Cl)C 62a_100012349684_100000210623 [0,3,0,0,0,0|0,1,0]=4 16408 B13R1.369 C=CCSCc1ccc(cc1Cl)Cl 62a_100000188473_100000210623 [0,3,0,0,0,0|0,1,0]=4 16409 B13R1.369 C=CCSCc1ccc(cc1Cl)Cl 62a_100000210623_100000188473 [0,3,0,0,0,0|0,1,0]=4 16410 B13R1.369 C=CCSCc1ccc(cc1Cl)F 62a_100000187853_100000210623 [0,3,0,0,0,0|0,1,0]=4 16411 B13R1.369 C=CCSCc1ccc(cc1Cl)F 62a_100000210623_100000187853 [0,3,0,0,0,0|0,1,0]=4 16412 B13R1.369 C=CCSCc1ccc(cc1F)Br 62a_100000210623_100000211606 [0,3,0,0,0,0|0,1,0]=4 16413 B13R1.369 C=CCSCc1ccc(cc1F)Br 62a_100000211606_100000210623 [0,3,0,0,0,0|0,1,0]=4 16414 B13R1.369 C=CCSCc1ccc(cc1F)C 62a_100000210623_100011217900 [0,3,0,0,0,0|0,1,0]=4 16415 B13R1.369 C=CCSCc1ccc(cc1F)C 62a_100011217900_100000210623 [0,3,0,0,0,0|0,1,0]=4 16416 B13R1.369 C=CCSCc1ccc(cc1F)Cl 62a_100000210623_100000709361 [0,3,0,0,0,0|0,1,0]=4 16417 B13R1.369 C=CCSCc1ccc(cc1F)Cl 62a_100000709361_100000210623 [0,3,0,0,0,0|0,1,0]=4 16418 B13R1.369 C=CCSCc1ccc(cc1F)F 62a_100000210623_100000748237 [0,3,0,0,0,0|0,1,0]=4 16419 B13R1.369 C=CCSCc1ccc(cc1F)F 62a_100000748237_100000210623 [0,3,0,0,0,0|0,1,0]=4 16420 B13R1.369 C=CCSCc1ccc(cc1F)I 62a_100000210623_100010244991 [0,3,0,0,0,0|0,1,0]=4 16421 B13R1.369 C=CCSCc1ccc(cc1F)I 62a_100010244991_100000210623 [0,3,0,0,0,0|0,1,0]=4 16422 B13R1.369 C=CCSCc1ccc(cc1I)Br 62a_100000210623_100010146615 [0,3,0,0,0,0|0,1,0]=4 16423 B13R1.369 C=CCSCc1ccc(cc1I)Br 62a_100010146615_100000210623 [0,3,0,0,0,0|0,1,0]=4 16424 B13R1.369 C=CCSCc1ccc(cc1I)Cl 62a_100000210623_100010254388 [0,3,0,0,0,0|0,1,0]=4 16425 B13R1.369 C=CCSCc1ccc(cc1I)Cl 62a_100010254388_100000210623 [0,3,0,0,0,0|0,1,0]=4 16426 B13R1.369 C=CCSCc1ccc(cc1I)F 62a_100000210623_100012354799 [0,3,0,0,0,0|0,1,0]=4 16427 B13R1.369 C=CCSCc1ccc(cc1I)F 62a_100012354799_100000210623 [0,3,0,0,0,0|0,1,0]=4 16428 B13R1.369 CC=CCNc1ccc(cc1Br)Br 34a_100000211012_100000070051 [0,3,0,0,0,0|1,0,0]=4 16429 B13R1.369 CC=CCNc1ccc(cc1Br)C 34a_100000210942_100000070051 [0,3,0,0,0,0|1,0,0]=4 16430 B13R1.369 CC=CCNc1ccc(cc1Br)Cl 34a_100000752454_100000070051 [0,3,0,0,0,0|1,0,0]=4 16431 B13R1.369 CC=CCNc1ccc(cc1Br)F 34a_100000738039_100000070051 [0,3,0,0,0,0|1,0,0]=4 16432 B13R1.369 CC=CCNc1ccc(cc1Br)O 34a_100012001276_100000070051 [0,3,0,0,0,0|1,0,0]=4 16433 B13R1.369 CC=CCNc1ccc(cc1C)Br 34a_100000211769_100000070051 [0,3,0,0,0,0|1,0,0]=4 16434 B13R1.369 CC=CCNc1ccc(cc1C)Br 7a_100000211769_100000070051 [0,3,0,0,0,0|1,0,0]=4 16435 B13R1.369 CC=CCNc1ccc(cc1C)C 34a_100000736561_100000070051 [0,3,0,0,0,0|1,0,0]=4 16436 B13R1.369 CC=CCNc1ccc(cc1C)C 7a_100000736561_100000070051 [0,3,0,0,0,0|1,0,0]=4 16437 B13R1.369 CC=CCNc1ccc(cc1C)Cl 34a_100000210418_100000070051 [0,3,0,0,0,0|1,0,0]=4 16438 B13R1.369 CC=CCNc1ccc(cc1C)Cl 7a_100000210418_100000070051 [0,3,0,0,0,0|1,0,0]=4 16439 B13R1.369 CC=CCNc1ccc(cc1C)F 34a_100000211637_100000070051 [0,3,0,0,0,0|1,0,0]=4 16440 B13R1.369 CC=CCNc1ccc(cc1C)F 7a_100000211637_100000070051 [0,3,0,0,0,0|1,0,0]=4 16441 B13R1.369 CC=CCNc1ccc(cc1C)I 34a_100000184554_100000070051 [0,3,0,0,0,0|1,0,0]=4 16442 B13R1.369 CC=CCNc1ccc(cc1C)I 7a_100000184554_100000070051 [0,3,0,0,0,0|1,0,0]=4 16443 B13R1.369 CC=CCNc1ccc(cc1C)O 34a_100000756630_100000070051 [0,3,0,0,0,0|1,0,0]=4 16444 B13R1.369 CC=CCNc1ccc(cc1Cl)Br 34a_100000211467_100000070051 [0,3,0,0,0,0|1,0,0]=4 16445 B13R1.369 CC=CCNc1ccc(cc1Cl)C 34a_100000210522_100000070051 [0,3,0,0,0,0|1,0,0]=4 16446 B13R1.369 CC=CCNc1ccc(cc1Cl)Cl 34a_100000185861_100000070051 [0,3,0,0,0,0|1,0,0]=4 16447 B13R1.369 CC=CCNc1ccc(cc1Cl)F 34a_100000212003_100000070051 [0,3,0,0,0,0|1,0,0]=4 16448 B13R1.369 CC=CCNc1ccc(cc1Cl)I 34a_100011218065_100000070051 [0,3,0,0,0,0|1,0,0]=4 16449 B13R1.369 CC=CCNc1ccc(cc1Cl)O 34a_100011215599_100000070051 [0,3,0,0,0,0|1,0,0]=4 16450 B13R1.369 CC=CCNc1ccc(cc1F)Br 34a_100000210722_100000070051 [0,3,0,0,0,0|1,0,0]=4 16451 B13R1.369 CC=CCNc1ccc(cc1F)C 34a_100000211023_100000070051 [0,3,0,0,0,0|1,0,0]=4 16452 B13R1.369 CC=CCNc1ccc(cc1F)Cl 34a_100000211020_100000070051 [0,3,0,0,0,0|1,0,0]=4 16453 B13R1.369 CC=CCNc1ccc(cc1F)F 34a_100000210720_100000070051 [0,3,0,0,0,0|1,0,0]=4 16454 B13R1.369 CC=CCNc1ccc(cc1F)I 34a_100011215594_100000070051 [0,3,0,0,0,0|1,0,0]=4 16455 B13R1.369 CC=CCNc1ccc(cc1F)O 34a_100000759473_100000070051 [0,3,0,0,0,0|1,0,0]=4 16456 B13R1.369 CC=CCNc1ccc(cc1I)Br 34a_100000187925_100000070051 [0,3,0,0,0,0|1,0,0]=4 16457 B13R1.369 CC=CCNc1ccc(cc1I)C 34a_100011356834_100000070051 [0,3,0,0,0,0|1,0,0]=4 16458 B13R1.369 CC=CCNc1ccc(cc1I)Cl 34a_100000761889_100000070051 [0,3,0,0,0,0|1,0,0]=4 16459 B13R1.369 CC=CCNc1ccc(cc1I)F 34a_100000760547_100000070051 [0,3,0,0,0,0|1,0,0]=4 16460 B13R1.369 CC=CCNc1ccc(cc1I)O 34a_100010084370_100000070051 [0,3,0,0,0,0|1,0,0]=4 16461 B13R1.369 CC=CCNc1ccc(cc1O)Br 34a_100000739049_100000070051 [0,3,0,0,0,0|1,0,0]=4 16462 B13R1.369 CC=CCNc1ccc(cc1O)C 34a_100000211527_100000070051 [0,3,0,0,0,0|1,0,0]=4 16463 B13R1.369 CC=CCNc1ccc(cc1O)Cl 34a_100000185728_100000070051 [0,3,0,0,0,0|1,0,0]=4 16464 B13R1.369 CC=CCNc1ccc(cc1O)F 34a_100000753323_100000070051 [0,3,0,0,0,0|1,0,0]=4 16465 B13R1.369 CC=CCNc1ccc(cc1O)O 34a_100000106777_100000070051 [0,3,0,0,0,0|1,0,0]=4 16466 B13R1.369 CC=CCOc1ccc(cc1Br)Br 34a_100000188717_100000070051 [0,3,0,0,0,0|0,0,0]=3 16467 B13R1.369 CC=CCOc1ccc(cc1Br)Br 7a_100000188717_100000070051 [0,3,0,0,0,0|0,0,0]=3 16468 B13R1.369 CC=CCOc1ccc(cc1Br)C 34a_100000210800_100000070051 [0,3,0,0,0,0|0,0,0]=3 16469 B13R1.369 CC=CCOc1ccc(cc1Br)C 7a_100000210800_100000070051 [0,3,0,0,0,0|0,0,0]=3 16470 B13R1.369 CC=CCOc1ccc(cc1Br)Cl 34a_100000211998_100000070051 [0,3,0,0,0,0|0,0,0]=3 16471 B13R1.369 CC=CCOc1ccc(cc1Br)Cl 7a_100000211998_100000070051 [0,3,0,0,0,0|0,0,0]=3 16472 B13R1.369 CC=CCOc1ccc(cc1Br)F 34a_100000211999_100000070051 [0,3,0,0,0,0|0,0,0]=3 16473 B13R1.369 CC=CCOc1ccc(cc1Br)F 7a_100000211999_100000070051 [0,3,0,0,0,0|0,0,0]=3 16474 B13R1.369 CC=CCOc1ccc(cc1Br)I 34a_100012361655_100000070051 [0,3,0,0,0,0|0,0,0]=3 16475 B13R1.369 CC=CCOc1ccc(cc1Br)I 7a_100012361655_100000070051 [0,3,0,0,0,0|0,0,0]=3 16476 B13R1.369 CC=CCOc1ccc(cc1Br)N 34a_100011534360_100000070051 [0,3,0,0,0,0|0,0,0]=3 16477 B13R1.369 CC=CCOc1ccc(cc1Br)N 7a_100011534360_100000070051 [0,3,0,0,0,0|0,0,0]=3 16478 B13R1.369 CC=CCOc1ccc(cc1C)Br 34a_100000186361_100000070051 [0,3,0,0,0,0|0,0,0]=3 16479 B13R1.369 CC=CCOc1ccc(cc1C)Br 7a_100000186361_100000070051 [0,3,0,0,0,0|0,0,0]=3 16480 B13R1.369 CC=CCOc1ccc(cc1C)C 34a_100000211776_100000070051 [0,3,0,0,0,0|0,0,0]=3 16481 B13R1.369 CC=CCOc1ccc(cc1C)C 7a_100000211776_100000070051 [0,3,0,0,0,0|0,0,0]=3 16482 B13R1.369 CC=CCOc1ccc(cc1C)Cl 34a_100000211091_100000070051 [0,3,0,0,0,0|0,0,0]=3 16483 B13R1.369 CC=CCOc1ccc(cc1C)Cl 7a_100000211091_100000070051 [0,3,0,0,0,0|0,0,0]=3 16484 B13R1.369 CC=CCOc1ccc(cc1C)F 34a_100000764316_100000070051 [0,3,0,0,0,0|0,0,0]=3 16485 B13R1.369 CC=CCOc1ccc(cc1C)F 7a_100000764316_100000070051 [0,3,0,0,0,0|0,0,0]=3 16486 B13R1.369 CC=CCOc1ccc(cc1C)I 34a_100011218673_100000070051 [0,3,0,0,0,0|0,0,0]=3 16487 B13R1.369 CC=CCOc1ccc(cc1C)I 7a_100011218673_100000070051 [0,3,0,0,0,0|0,0,0]=3 16488 B13R1.369 CC=CCOc1ccc(cc1C)N 34a_100011218179_100000070051 [0,3,0,0,0,0|0,0,0]=3 16489 B13R1.369 CC=CCOc1ccc(cc1C)N 7a_100011218179_100000070051 [0,3,0,0,0,0|0,0,0]=3 16490 B13R1.369 CC=CCOc1ccc(cc1Cl)Br 34a_100000186472_100000070051 [0,3,0,0,0,0|0,0,0]=3 16491 B13R1.369 CC=CCOc1ccc(cc1Cl)Br 7a_100000186472_100000070051 [0,3,0,0,0,0|0,0,0]=3 16492 B13R1.369 CC=CCOc1ccc(cc1Cl)C 34a_100000749699_100000070051 [0,3,0,0,0,0|0,0,0]=3 16493 B13R1.369 CC=CCOc1ccc(cc1Cl)C 7a_100000749699_100000070051 [0,3,0,0,0,0|0,0,0]=3 16494 B13R1.369 CC=CCOc1ccc(cc1Cl)Cl 34a_100015191787_100000070051 [0,3,0,0,0,0|0,0,0]=3 16495 B13R1.369 CC=CCOc1ccc(cc1Cl)Cl 7a_100015191787_100000070051 [0,3,0,0,0,0|0,0,0]=3 16496 B13R1.369 CC=CCOc1ccc(cc1Cl)F 34a_100000212004_100000070051 [0,3,0,0,0,0|0,0,0]=3 16497 B13R1.369 CC=CCOc1ccc(cc1Cl)F 7a_100000212004_100000070051 [0,3,0,0,0,0|0,0,0]=3 16498 B13R1.369 CC=CCOc1ccc(cc1Cl)I 34a_100012360047_100000070051 [0,3,0,0,0,0|0,0,0]=3 16499 B13R1.369 CC=CCOc1ccc(cc1Cl)I 7a_100012360047_100000070051 [0,3,0,0,0,0|0,0,0]=3 16500 B13R1.369 CC=CCOc1ccc(cc1Cl)N 34a_100000744943_100000070051 [0,3,0,0,0,0|0,0,0]=3 16501 B13R1.369 CC=CCOc1ccc(cc1Cl)N 7a_100000744943_100000070051 [0,3,0,0,0,0|0,0,0]=3 16502 B13R1.369 CC=CCOc1ccc(cc1F)Br 34a_100000185481_100000070051 [0,3,0,0,0,0|0,0,0]=3 16503 B13R1.369 CC=CCOc1ccc(cc1F)Br 7a_100000185481_100000070051 [0,3,0,0,0,0|0,0,0]=3 16504 B13R1.369 CC=CCOc1ccc(cc1F)C 34a_100011216688_100000070051 [0,3,0,0,0,0|0,0,0]=3 16505 B13R1.369 CC=CCOc1ccc(cc1F)C 7a_100011216688_100000070051 [0,3,0,0,0,0|0,0,0]=3 16506 B13R1.369 CC=CCOc1ccc(cc1F)Cl 34a_100000230166_100000070051 [0,3,0,0,0,0|0,0,0]=3 16507 B13R1.369 CC=CCOc1ccc(cc1F)Cl 7a_100000230166_100000070051 [0,3,0,0,0,0|0,0,0]=3 16508 B13R1.369 CC=CCOc1ccc(cc1F)F 34a_100000230127_100000070051 [0,3,0,0,0,0|0,0,0]=3 16509 B13R1.369 CC=CCOc1ccc(cc1F)F 7a_100000230127_100000070051 [0,3,0,0,0,0|0,0,0]=3 16510 B13R1.369 CC=CCOc1ccc(cc1F)I 34a_100011356965_100000070051 [0,3,0,0,0,0|0,0,0]=3 16511 B13R1.369 CC=CCOc1ccc(cc1F)I 7a_100011356965_100000070051 [0,3,0,0,0,0|0,0,0]=3 16512 B13R1.369 CC=CCOc1ccc(cc1F)N 34a_100011220035_100000070051 [0,3,0,0,0,0|0,0,0]=3 16513 B13R1.369 CC=CCOc1ccc(cc1F)N 7a_100011220035_100000070051 [0,3,0,0,0,0|0,0,0]=3 16514 B13R1.369 CC=CCOc1ccc(cc1I)Br 34a_100012355227_100000070051 [0,3,0,0,0,0|0,0,0]=3 16515 B13R1.369 CC=CCOc1ccc(cc1I)Br 7a_100012355227_100000070051 [0,3,0,0,0,0|0,0,0]=3 16516 B13R1.369 CC=CCOc1ccc(cc1I)C 34a_100000765521_100000070051 [0,3,0,0,0,0|0,0,0]=3 16517 B13R1.369 CC=CCOc1ccc(cc1I)C 7a_100000765521_100000070051 [0,3,0,0,0,0|0,0,0]=3 16518 B13R1.369 CC=CCOc1ccc(cc1I)Cl 34a_100011356953_100000070051 [0,3,0,0,0,0|0,0,0]=3 16519 B13R1.369 CC=CCOc1ccc(cc1I)Cl 7a_100011356953_100000070051 [0,3,0,0,0,0|0,0,0]=3 16520 B13R1.369 CC=CCOc1ccc(cc1I)F 34a_100012355409_100000070051 [0,3,0,0,0,0|0,0,0]=3 16521 B13R1.369 CC=CCOc1ccc(cc1I)F 7a_100012355409_100000070051 [0,3,0,0,0,0|0,0,0]=3 16522 B13R1.369 CC=CCOc1ccc(cc1I)I 7a_100010001573_100000070051 [0,3,0,0,0,0|0,0,0]=3 16523 B13R1.369 CC=CCOc1ccc(cc1N)Br 34a_100000752626_100000070051 [0,3,0,0,0,0|0,0,0]=3 16524 B13R1.369 CC=CCOc1ccc(cc1N)Br 7a_100000752626_100000070051 [0,3,0,0,0,0|0,0,0]=3 16525 B13R1.369 CC=CCOc1ccc(cc1N)C 34a_100011215204_100000070051 [0,3,0,0,0,0|0,0,0]=3 16526 B13R1.369 CC=CCOc1ccc(cc1N)C 7a_100011215204_100000070051 [0,3,0,0,0,0|0,0,0]=3 16527 B13R1.369 CC=CCOc1ccc(cc1N)Cl 34a_100000210500_100000070051 [0,3,0,0,0,0|0,0,0]=3 16528 B13R1.369 CC=CCOc1ccc(cc1N)Cl 7a_100000210500_100000070051 [0,3,0,0,0,0|0,0,0]=3 16529 B13R1.369 CC=CCOc1ccc(cc1N)F 34a_100000759472_100000070051 [0,3,0,0,0,0|0,0,0]=3 16530 B13R1.369 CC=CCOc1ccc(cc1N)F 7a_100000759472_100000070051 [0,3,0,0,0,0|0,0,0]=3 16531 B13R1.369 CC=CCOc1ccc(cc1N)I 34a_100000753495_100000070051 [0,3,0,0,0,0|0,0,0]=3 16532 B13R1.369 CC=CCOc1ccc(cc1N)I 7a_100000753495_100000070051 [0,3,0,0,0,0|0,0,0]=3 16533 B13R1.369 CC=CCOc1ccc(cc1N)N 34a_100000725306_100000070051 [0,3,0,0,0,0|0,0,0]=3 16534 B13R1.369 CC=CCOc1ccc(nc1Br)Br 34a_100009999766_100000070051 [0,3,0,0,0,0|1,0,0]=4 16535 B13R1.369 CC=CCOc1ccc(nc1Br)Br 7a_100009999766_100000070051 [0,3,0,0,0,0|1,0,0]=4 16536 B13R1.369 CC=CCOc1ccc(nc1Br)C 34a_100000702858_100000070051 [0,3,0,0,0,0|1,0,0]=4 16537 B13R1.369 CC=CCOc1ccc(nc1Br)C 7a_100000702858_100000070051 [0,3,0,0,0,0|1,0,0]=4 16538 B13R1.369 CC=CCOc1ccc(nc1Br)Cl 34a_100010219353_100000070051 [0,3,0,0,0,0|1,0,0]=4 16539 B13R1.369 CC=CCOc1ccc(nc1Br)Cl 7a_100010219353_100000070051 [0,3,0,0,0,0|1,0,0]=4 16540 B13R1.369 CC=CCOc1ccc(nc1Br)F 34a_100009887730_100000070051 [0,3,0,0,0,0|1,0,0]=4 16541 B13R1.369 CC=CCOc1ccc(nc1Br)F 7a_100009887730_100000070051 [0,3,0,0,0,0|1,0,0]=4 16542 B13R1.369 CC=CCOc1ccc(nc1Br)I 34a_100000725334_100000070051 [0,3,0,0,0,0|1,0,0]=4 16543 B13R1.369 CC=CCOc1ccc(nc1Br)I 7a_100000725334_100000070051 [0,3,0,0,0,0|1,0,0]=4 16544 B13R1.369 CC=CCOc1ccc(nc1C)Br 34a_100012002022_100000070051 [0,3,0,0,0,0|1,0,0]=4 16545 B13R1.369 CC=CCOc1ccc(nc1C)Br 7a_100012002022_100000070051 [0,3,0,0,0,0|1,0,0]=4 16546 B13R1.369 CC=CCOc1ccc(nc1C)C 34a_100011218912_100000070051 [0,3,0,0,0,0|1,0,0]=4 16547 B13R1.369 CC=CCOc1ccc(nc1C)C 7a_100011218912_100000070051 [0,3,0,0,0,0|1,0,0]=4 16548 B13R1.369 CC=CCOc1ccc(nc1C)Cl 34a_100012184626_100000070051 [0,3,0,0,0,0|1,0,0]=4 16549 B13R1.369 CC=CCOc1ccc(nc1C)Cl 7a_100012184626_100000070051 [0,3,0,0,0,0|1,0,0]=4 16550 B13R1.369 CC=CCOc1ccc(nc1C)F 34a_100009881036_100000070051 [0,3,0,0,0,0|1,0,0]=4 16551 B13R1.369 CC=CCOc1ccc(nc1C)F 7a_100009881036_100000070051 [0,3,0,0,0,0|1,0,0]=4 16552 B13R1.369 CC=CCOc1ccc(nc1C)I 34a_100010233687_100000070051 [0,3,0,0,0,0|1,0,0]=4 16553 B13R1.369 CC=CCOc1ccc(nc1C)I 7a_100010233687_100000070051 [0,3,0,0,0,0|1,0,0]=4 16554 B13R1.369 CC=CCOc1ccc(nc1Cl)Br 34a_100010246206_100000070051 [0,3,0,0,0,0|1,0,0]=4 16555 B13R1.369 CC=CCOc1ccc(nc1Cl)Br 7a_100010246206_100000070051 [0,3,0,0,0,0|1,0,0]=4 16556 B13R1.369 CC=CCOc1ccc(nc1Cl)C 34a_100000086286_100000070051 [0,3,0,0,0,0|1,0,0]=4 16557 B13R1.369 CC=CCOc1ccc(nc1Cl)C 7a_100000086286_100000070051 [0,3,0,0,0,0|1,0,0]=4 16558 B13R1.369 CC=CCOc1ccc(nc1Cl)Cl 34a_100000101165_100000070051 [0,3,0,0,0,0|1,0,0]=4 16559 B13R1.369 CC=CCOc1ccc(nc1Cl)Cl 7a_100000101165_100000070051 [0,3,0,0,0,0|1,0,0]=4 16560 B13R1.369 CC=CCOc1ccc(nc1Cl)I 34a_100000721234_100000070051 [0,3,0,0,0,0|1,0,0]=4 16561 B13R1.369 CC=CCOc1ccc(nc1Cl)I 7a_100000721234_100000070051 [0,3,0,0,0,0|1,0,0]=4 16562 B13R1.369 CC=CCOc1ccc(nc1F)Br 34a_100009819667_100000070051 [0,3,0,0,0,0|1,0,0]=4 16563 B13R1.369 CC=CCOc1ccc(nc1F)Br 7a_100009819667_100000070051 [0,3,0,0,0,0|1,0,0]=4 16564 B13R1.369 CC=CCOc1ccc(nc1F)C 34a_100000079963_100000070051 [0,3,0,0,0,0|1,0,0]=4 16565 B13R1.369 CC=CCOc1ccc(nc1F)C 7a_100000079963_100000070051 [0,3,0,0,0,0|1,0,0]=4 16566 B13R1.369 CC=CCOc1ccc(nc1F)Cl 34a_100009880201_100000070051 [0,3,0,0,0,0|1,0,0]=4 16567 B13R1.369 CC=CCOc1ccc(nc1F)Cl 7a_100009880201_100000070051 [0,3,0,0,0,0|1,0,0]=4 16568 B13R1.369 CC=CCOc1ccc(nc1F)F 34a_100000101184_100000070051 [0,3,0,0,0,0|1,0,0]=4 16569 B13R1.369 CC=CCOc1ccc(nc1F)F 7a_100000101184_100000070051 [0,3,0,0,0,0|1,0,0]=4 16570 B13R1.369 CC=CCOc1ccc(nc1I)Br 34a_100010253912_100000070051 [0,3,0,0,0,0|1,0,0]=4 16571 B13R1.369 CC=CCOc1ccc(nc1I)Br 7a_100010253912_100000070051 [0,3,0,0,0,0|1,0,0]=4 16572 B13R1.369 CC=CCOc1ccc(nc1I)C 34a_100000023897_100000070051 [0,3,0,0,0,0|1,0,0]=4 16573 B13R1.369 CC=CCOc1ccc(nc1I)C 7a_100000023897_100000070051 [0,3,0,0,0,0|1,0,0]=4 16574 B13R1.369 CC=CCOc1ccc(nc1I)Cl 34a_100000696390_100000070051 [0,3,0,0,0,0|1,0,0]=4 16575 B13R1.369 CC=CCOc1ccc(nc1I)Cl 7a_100000696390_100000070051 [0,3,0,0,0,0|1,0,0]=4 16576 B13R1.369 CC=CCOc1ccc(nc1I)F 34a_100010382442_100000070051 [0,3,0,0,0,0|1,0,0]=4 16577 B13R1.369 CC=CCOc1ccc(nc1I)F 7a_100010382442_100000070051 [0,3,0,0,0,0|1,0,0]=4 16578 B13R1.369 CC=CCOc1ccc(nc1N)Br 34a_100000685527_100000070051 [0,3,0,0,0,0|1,0,0]=4 16579 B13R1.369 CC=CCOc1ccc(nc1N)Br 7a_100000685527_100000070051 [0,3,0,0,0,0|1,0,0]=4 16580 B13R1.369 CC=CCOc1ccc(nc1N)C 34a_100000694039_100000070051 [0,3,0,0,0,0|1,0,0]=4 16581 B13R1.369 CC=CCOc1ccc(nc1N)C 7a_100000694039_100000070051 [0,3,0,0,0,0|1,0,0]=4 16582 B13R1.369 CC=CCOc1ccc(nc1N)Cl 34a_100000717809_100000070051 [0,3,0,0,0,0|1,0,0]=4 16583 B13R1.369 CC=CCOc1ccc(nc1N)Cl 7a_100000717809_100000070051 [0,3,0,0,0,0|1,0,0]=4 16584 B13R1.369 CC=CCOc1cnc(cc1Br)C 34a_100009843476_100000070051 [0,3,0,0,0,0|1,0,0]=4 16585 B13R1.369 CC=CCOc1cnc(cc1Br)C 7a_100009843476_100000070051 [0,3,0,0,0,0|1,0,0]=4 16586 B13R1.369 CC=CCOc1cnc(cc1C)C 34a_200000068632_100000070051 [0,3,0,0,0,0|1,0,0]=4 16587 B13R1.369 CC=CCOc1cnc(cc1C)C 7a_200000068632_100000070051 [0,3,0,0,0,0|1,0,0]=4 16588 B13R1.369 CC=CCOc1cnc(cc1C)Cl 34a_100000692680_100000070051 [0,3,0,0,0,0|1,0,0]=4 16589 B13R1.369 CC=CCOc1cnc(cc1C)Cl 7a_100000692680_100000070051 [0,3,0,0,0,0|1,0,0]=4 16590 B13R1.369 CC=CCOc1cnc(cc1C)F 34a_100009856773_100000070051 [0,3,0,0,0,0|1,0,0]=4 16591 B13R1.369 CC=CCOc1cnc(cc1C)F 7a_100009856773_100000070051 [0,3,0,0,0,0|1,0,0]=4 16592 B13R1.369 CC=CCOc1cnc(cc1Cl)Cl 34a_100009868576_100000070051 [0,3,0,0,0,0|1,0,0]=4 16593 B13R1.369 CC=CCOc1cnc(cc1Cl)Cl 7a_100009868576_100000070051 [0,3,0,0,0,0|1,0,0]=4 16594 B13R1.369 CC=CCOc1cnc(cc1F)F 34a_100009885687_100000070051 [0,3,0,0,0,0|1,0,0]=4 16595 B13R1.369 CC=CCOc1cnc(cc1F)F 7a_100009885687_100000070051 [0,3,0,0,0,0|1,0,0]=4 16596 B13R1.369 CC=CCOc1cnc(cc1I)Cl 34a_100000698892_100000070051 [0,3,0,0,0,0|1,0,0]=4 16597 B13R1.369 CC=CCOc1cnc(cc1I)Cl 7a_100000698892_100000070051 [0,3,0,0,0,0|1,0,0]=4 16598 B13R1.369 CC=CCOc1cnc(cc1N)Br 34a_100009819941_100000070051 [0,3,0,0,0,0|1,0,0]=4 16599 B13R1.369 CC=CCOc1cnc(cc1N)Br 7a_100009819941_100000070051 [0,3,0,0,0,0|1,0,0]=4 16600 B13R1.369 CC=CCOc1coc(cc1=O)C 34a_100000081520_100000070051 [0,3,0,0,0,0|1,0,0]=4 16601 B13R1.369 CC=CCOc1ncc(cc1Br)Br 34a_100000701035_100000070051 [0,3,0,0,0,0|1,0,0]=4 16602 B13R1.369 CC=CCOc1ncc(cc1Br)C 34a_100000719714_100000070051 [0,3,0,0,0,0|1,0,0]=4 16603 B13R1.369 CC=CCOc1ncc(cc1C)Br 34a_100000685391_100000070051 [0,3,0,0,0,0|1,0,0]=4 16604 B13R1.369 CC=CCOc1ncc(cc1Cl)Br 34a_100012339560_100000070051 [0,3,0,0,0,0|1,0,0]=4 16605 B13R1.369 CC=CCOc1ncc(cc1Cl)F 34a_100009847679_100000070051 [0,3,0,0,0,0|1,0,0]=4 16606 B13R1.369 CC=CCOc1ncc(cc1F)Cl 34a_100011998252_100000070051 [0,3,0,0,0,0|1,0,0]=4 16607 B13R1.369 CC=CCOc1ncc(cc1F)F 34a_100012025737_100000070051 [0,3,0,0,0,0|1,0,0]=4 16608 B13R1.369 CC=CCOc1ncc(cc1N)Br 34a_100000743729_100000070051 [0,3,0,0,0,0|1,0,0]=4 16609 B13R1.369 CC=CCOc1ncc(cc1N)C 34a_100012000488_100000070051 [0,3,0,0,0,0|1,0,0]=4 16610 B13R1.369 CC=CCOc1ncc(cc1N)Cl 34a_100011998249_100000070051 [0,3,0,0,0,0|1,0,0]=4 16611 B13R1.369 CC=CCSc1ccc(cc1Br)Br 62a_100000070051_100011484698 [0,3,0,0,0,0|0,1,0]=4 16612 B13R1.369 CC=CCSc1ccc(cc1Br)Br 62a_100011484698_100000070051 [0,3,0,0,0,0|0,1,0]=4 16613 B13R1.369 CC=CCSc1ccc(cc1Br)C 62a_100000070051_100009813563 [0,3,0,0,0,0|0,1,0]=4 16614 B13R1.369 CC=CCSc1ccc(cc1Br)C 62a_100009813563_100000070051 [0,3,0,0,0,0|0,1,0]=4 16615 B13R1.369 CC=CCSc1ccc(cc1Br)Cl 62a_100000070051_100011219703 [0,3,0,0,0,0|0,1,0]=4 16616 B13R1.369 CC=CCSc1ccc(cc1Br)Cl 62a_100011219703_100000070051 [0,3,0,0,0,0|0,1,0]=4 16617 B13R1.369 CC=CCSc1ccc(cc1Br)F 62a_100000070051_100011217111 [0,3,0,0,0,0|0,1,0]=4 16618 B13R1.369 CC=CCSc1ccc(cc1Br)F 62a_100011217111_100000070051 [0,3,0,0,0,0|0,1,0]=4 16619 B13R1.369 CC=CCSc1ccc(cc1Br)N 62a_100000070051_100000750458 [0,3,0,0,0,0|0,1,0]=4 16620 B13R1.369 CC=CCSc1ccc(cc1Br)N 62a_100000750458_100000070051 [0,3,0,0,0,0|0,1,0]=4 16621 B13R1.369 CC=CCSc1ccc(cc1Br)O 62a_100000070051_100000701344 [0,3,0,0,0,0|0,1,0]=4 16622 B13R1.369 CC=CCSc1ccc(cc1Br)O 62a_100000701344_100000070051 [0,3,0,0,0,0|0,1,0]=4 16623 B13R1.369 CC=CCSc1ccc(cc1C)Br 62a_100000070051_100000701812 [0,3,0,0,0,0|0,1,0]=4 16624 B13R1.369 CC=CCSc1ccc(cc1C)Br 62a_100000701812_100000070051 [0,3,0,0,0,0|0,1,0]=4 16625 B13R1.369 CC=CCSc1ccc(cc1C)C 62a_100000070051_100011217332 [0,3,0,0,0,0|0,1,0]=4 16626 B13R1.369 CC=CCSc1ccc(cc1C)C 62a_100011217332_100000070051 [0,3,0,0,0,0|0,1,0]=4 16627 B13R1.369 CC=CCSc1ccc(cc1C)Cl 62a_100000070051_100011219607 [0,3,0,0,0,0|0,1,0]=4 16628 B13R1.369 CC=CCSc1ccc(cc1C)Cl 62a_100011219607_100000070051 [0,3,0,0,0,0|0,1,0]=4 16629 B13R1.369 CC=CCSc1ccc(cc1C)F 62a_100000070051_100011205405 [0,3,0,0,0,0|0,1,0]=4 16630 B13R1.369 CC=CCSc1ccc(cc1C)F 62a_100011205405_100000070051 [0,3,0,0,0,0|0,1,0]=4 16631 B13R1.369 CC=CCSc1ccc(cc1C)N 62a_100000070051_100000210723 [0,3,0,0,0,0|0,1,0]=4 16632 B13R1.369 CC=CCSc1ccc(cc1C)N 62a_100000210723_100000070051 [0,3,0,0,0,0|0,1,0]=4 16633 B13R1.369 CC=CCSc1ccc(cc1C)O 62a_100000070051_100000690111 [0,3,0,0,0,0|0,1,0]=4 16634 B13R1.369 CC=CCSc1ccc(cc1Cl)Br 62a_100000070051_100011216062 [0,3,0,0,0,0|0,1,0]=4 16635 B13R1.369 CC=CCSc1ccc(cc1Cl)Br 62a_100011216062_100000070051 [0,3,0,0,0,0|0,1,0]=4 16636 B13R1.369 CC=CCSc1ccc(cc1Cl)C 62a_100000070051_100011263221 [0,3,0,0,0,0|0,1,0]=4 16637 B13R1.369 CC=CCSc1ccc(cc1Cl)C 62a_100011263221_100000070051 [0,3,0,0,0,0|0,1,0]=4 16638 B13R1.369 CC=CCSc1ccc(cc1Cl)Cl 62a_100000070051_100000699841 [0,3,0,0,0,0|0,1,0]=4 16639 B13R1.369 CC=CCSc1ccc(cc1Cl)Cl 62a_100000699841_100000070051 [0,3,0,0,0,0|0,1,0]=4 16640 B13R1.369 CC=CCSc1ccc(cc1Cl)F 62a_100000070051_100000733362 [0,3,0,0,0,0|0,1,0]=4 16641 B13R1.369 CC=CCSc1ccc(cc1Cl)F 62a_100000733362_100000070051 [0,3,0,0,0,0|0,1,0]=4 16642 B13R1.369 CC=CCSc1ccc(cc1Cl)N 62a_100000070051_100000761885 [0,3,0,0,0,0|0,1,0]=4 16643 B13R1.369 CC=CCSc1ccc(cc1Cl)N 62a_100000761885_100000070051 [0,3,0,0,0,0|0,1,0]=4 16644 B13R1.369 CC=CCSc1ccc(cc1Cl)O 62a_100000047559_100000070051 [0,3,0,0,0,0|0,1,0]=4 16645 B13R1.369 CC=CCSc1ccc(cc1Cl)O 62a_100000070051_100000047559 [0,3,0,0,0,0|0,1,0]=4 16646 B13R1.369 CC=CCSc1ccc(cc1F)Br 62a_100000070051_100009814013 [0,3,0,0,0,0|0,1,0]=4 16647 B13R1.369 CC=CCSc1ccc(cc1F)Br 62a_100009814013_100000070051 [0,3,0,0,0,0|0,1,0]=4 16648 B13R1.369 CC=CCSc1ccc(cc1F)C 62a_100000070051_100011216119 [0,3,0,0,0,0|0,1,0]=4 16649 B13R1.369 CC=CCSc1ccc(cc1F)C 62a_100011216119_100000070051 [0,3,0,0,0,0|0,1,0]=4 16650 B13R1.369 CC=CCSc1ccc(cc1F)Cl 62a_100000070051_100011216042 [0,3,0,0,0,0|0,1,0]=4 16651 B13R1.369 CC=CCSc1ccc(cc1F)Cl 62a_100011216042_100000070051 [0,3,0,0,0,0|0,1,0]=4 16652 B13R1.369 CC=CCSc1ccc(cc1F)F 62a_100000070051_100000750030 [0,3,0,0,0,0|0,1,0]=4 16653 B13R1.369 CC=CCSc1ccc(cc1F)F 62a_100000750030_100000070051 [0,3,0,0,0,0|0,1,0]=4 16654 B13R1.369 CC=CCSc1ccc(cc1F)N 62a_100000070051_100011356925 [0,3,0,0,0,0|0,1,0]=4 16655 B13R1.369 CC=CCSc1ccc(cc1F)N 62a_100011356925_100000070051 [0,3,0,0,0,0|0,1,0]=4 16656 B13R1.369 CC=CCSc1ccc(cc1F)O 62a_100000070051_100000755031 [0,3,0,0,0,0|0,1,0]=4 16657 B13R1.369 CC=CCSc1ccc(cc1F)O 62a_100000755031_100000070051 [0,3,0,0,0,0|0,1,0]=4 16658 B13R1.369 CC=CCSc1ccc(cc1N)Br 62a_100000070051_100000743836 [0,3,0,0,0,0|0,1,0]=4 16659 B13R1.369 CC=CCSc1ccc(cc1N)Br 62a_100000743836_100000070051 [0,3,0,0,0,0|0,1,0]=4 16660 B13R1.369 CC=CCSc1ccc(cc1N)C 62a_100000070051_100011216686 [0,3,0,0,0,0|0,1,0]=4 16661 B13R1.369 CC=CCSc1ccc(cc1N)C 62a_100011216686_100000070051 [0,3,0,0,0,0|0,1,0]=4 16662 B13R1.369 CC=CCSc1ccc(cc1N)Cl 62a_100000070051_100000761886 [0,3,0,0,0,0|0,1,0]=4 16663 B13R1.369 CC=CCSc1ccc(cc1N)Cl 62a_100000761886_100000070051 [0,3,0,0,0,0|0,1,0]=4 16664 B13R1.369 CC=CCSc1ccc(cc1N)F 62a_100000070051_100000687223 [0,3,0,0,0,0|0,1,0]=4 16665 B13R1.369 CC=CCSc1ccc(cc1N)F 62a_100000687223_100000070051 [0,3,0,0,0,0|0,1,0]=4 16666 B13R1.369 CC=CCSc1ccc(cc1N)N 62a_100000070051_200012175722 [0,3,0,0,0,0|0,1,0]=4 16667 B13R1.369 CC=CCSc1ccc(cc1N)N 62a_200012175722_100000070051 [0,3,0,0,0,0|0,1,0]=4 16668 B13R1.369 CC=CCSc1ccc(cc1N)O 62a_100000070051_100011999798 [0,3,0,0,0,0|0,1,0]=4 16669 B13R1.369 CC=CCSc1ccc(cc1N)O 62a_100011999798_100000070051 [0,3,0,0,0,0|0,1,0]=4 16670 B13R1.369 CC=CCSc1ccc(cc1O)Br 62a_100000070051_100012344904 [0,3,0,0,0,0|0,1,0]=4 16671 B13R1.369 CC=CCSc1ccc(cc1O)Br 62a_100012344904_100000070051 [0,3,0,0,0,0|0,1,0]=4 16672 B13R1.369 CC=CCSc1ccc(cc1O)C 62a_100000070051_100012002257 [0,3,0,0,0,0|0,1,0]=4 16673 B13R1.369 CC=CCSc1ccc(cc1O)C 62a_100012002257_100000070051 [0,3,0,0,0,0|0,1,0]=4 16674 B13R1.369 CC=CCSc1ccc(cc1O)Cl 62a_100000050036_100000070051 [0,3,0,0,0,0|0,1,0]=4 16675 B13R1.369 CC=CCSc1ccc(cc1O)Cl 62a_100000070051_100000050036 [0,3,0,0,0,0|0,1,0]=4 16676 B13R1.369 CC=CCSc1ccc(cc1O)F 62a_100000070051_100000690578 [0,3,0,0,0,0|0,1,0]=4 16677 B13R1.369 CC=CCSc1ccc(cc1O)F 62a_100000690578_100000070051 [0,3,0,0,0,0|0,1,0]=4 16678 B13R1.369 CC=CCSc1ccc(cc1O)O 62a_100000070051_100009813921 [0,3,0,0,0,0|0,1,0]=4 16679 B13R1.369 Cc1cc(ccc1COCC=O)Br 34a_100000748258_200009817547 [0,3,0,0,0,0|1,0,0]=4 16680 B13R1.369 Cc1cc(ccc1COCC=O)Br 7a_100000748258_200015260668 [0,3,0,0,0,0|1,0,0]=4 16681 B13R1.369 Cc1cc(ccc1COCC=O)Cl 34a_100000702939_200009817547 [0,3,0,0,0,0|1,0,0]=4 16682 B13R1.369 Cc1cc(ccc1COCC=O)Cl 7a_100000702939_200015260668 [0,3,0,0,0,0|1,0,0]=4 16683 B13R1.369 Cc1cc(ccc1COCC=O)F 34a_100000700136_200009817547 [0,3,0,0,0,0|1,0,0]=4 16684 B13R1.369 Cc1cc(ccc1COCC=O)F 7a_100000700136_200015260668 [0,3,0,0,0,0|1,0,0]=4 16685 B13R1.369 Cc1cc(ccc1COCC=O)N 34a_100000102464_200009817547 [0,3,0,0,0,0|1,0,0]=4 16686 B13R1.369 Cc1cc(ccc1COCC=O)N 7a_100000102464_200015260668 [0,3,0,0,0,0|1,0,0]=4 16687 B13R1.369 Cc1ccc(c(c1)C)COCC=O 34a_100011215341_200009817547 [0,3,0,0,0,0|1,0,0]=4 16688 B13R1.369 Cc1ccc(c(c1)C)COCC=O 7a_100011215341_200015260668 [0,3,0,0,0,0|1,0,0]=4 16689 B13R1.369 Cc1ccc(c(c1)Cl)COCC=O 34a_100000720314_200009817547 [0,3,0,0,0,0|1,0,0]=4 16690 B13R1.369 Cc1ccc(c(c1)Cl)COCC=O 7a_100000720314_200015260668 [0,3,0,0,0,0|1,0,0]=4 16691 B13R1.369 Cc1ccc(c(c1)F)COCC=O 34a_100011216587_200009817547 [0,3,0,0,0,0|1,0,0]=4 16692 B13R1.369 Cc1ccc(c(c1)F)COCC=O 7a_100011216587_200015260668 [0,3,0,0,0,0|1,0,0]=4 16693 B13R1.369 Cc1ccc(c(c1)N)COCC=O 34a_100000087799_200009817547 [0,3,0,0,0,0|1,0,0]=4 16694 B13R1.369 Cc1ccc(c(c1)N)COCC=O 7a_100000087799_200015260668 [0,3,0,0,0,0|1,0,0]=4 16695 B13R1.369 Nc1cc(ccc1COCC=O)Br 34a_100000718831_200009817547 [0,3,0,0,0,0|1,0,0]=4 16696 B13R1.369 Nc1cc(ccc1COCC=O)Br 7a_100000718831_200015260668 [0,3,0,0,0,0|1,0,0]=4 16697 B13R1.369 Nc1cc(ccc1COCC=O)Cl 34a_100000238622_200009817547 [0,3,0,0,0,0|1,0,0]=4 16698 B13R1.369 Nc1cc(ccc1COCC=O)Cl 7a_100000238622_200015260668 [0,3,0,0,0,0|1,0,0]=4 16699 B13R1.369 Nc1cc(ccc1COCC=O)F 34a_100011996588_200009817547 [0,3,0,0,0,0|1,0,0]=4 16700 B13R1.369 Nc1ccc(c(c1)Cl)COCC=O 34a_100000689119_200009817547 [0,3,0,0,0,0|1,0,0]=4 16701 B13R1.369 O=CCOCc1ccc(cc1Br)Br 34a_100012357508_200009817547 [0,3,0,0,0,0|1,0,0]=4 16702 B13R1.369 O=CCOCc1ccc(cc1Br)Br 7a_100012357508_200015260668 [0,3,0,0,0,0|1,0,0]=4 16703 B13R1.369 O=CCOCc1ccc(cc1Br)Cl 34a_100000707881_200009817547 [0,3,0,0,0,0|1,0,0]=4 16704 B13R1.369 O=CCOCc1ccc(cc1Br)Cl 7a_100000707881_200015260668 [0,3,0,0,0,0|1,0,0]=4 16705 B13R1.369 O=CCOCc1ccc(cc1Br)F 34a_100000744086_200009817547 [0,3,0,0,0,0|1,0,0]=4 16706 B13R1.369 O=CCOCc1ccc(cc1Br)F 7a_100000744086_200015260668 [0,3,0,0,0,0|1,0,0]=4 16707 B13R1.369 O=CCOCc1ccc(cc1Br)I 7a_100010240206_200015260668 [0,3,0,0,0,0|1,0,0]=4 16708 B13R1.369 O=CCOCc1ccc(cc1Cl)Br 34a_100000756401_200009817547 [0,3,0,0,0,0|1,0,0]=4 16709 B13R1.369 O=CCOCc1ccc(cc1Cl)Br 7a_100000756401_200015260668 [0,3,0,0,0,0|1,0,0]=4 16710 B13R1.369 O=CCOCc1ccc(cc1Cl)Cl 34a_100000215721_200009817547 [0,3,0,0,0,0|1,0,0]=4 16711 B13R1.369 O=CCOCc1ccc(cc1Cl)Cl 7a_100000215721_200015260668 [0,3,0,0,0,0|1,0,0]=4 16712 B13R1.369 O=CCOCc1ccc(cc1Cl)F 34a_100011219954_200009817547 [0,3,0,0,0,0|1,0,0]=4 16713 B13R1.369 O=CCOCc1ccc(cc1Cl)F 7a_100011219954_200015260668 [0,3,0,0,0,0|1,0,0]=4 16714 B13R1.369 O=CCOCc1ccc(cc1F)Br 34a_100011191541_200009817547 [0,3,0,0,0,0|1,0,0]=4 16715 B13R1.369 O=CCOCc1ccc(cc1F)Br 7a_100011191541_200015260668 [0,3,0,0,0,0|1,0,0]=4 16716 B13R1.369 O=CCOCc1ccc(cc1F)Cl 34a_100011217562_200009817547 [0,3,0,0,0,0|1,0,0]=4 16717 B13R1.369 O=CCOCc1ccc(cc1F)Cl 7a_100011217562_200015260668 [0,3,0,0,0,0|1,0,0]=4 16718 B13R1.369 O=CCOCc1ccc(cc1F)F 34a_100011215441_200009817547 [0,3,0,0,0,0|1,0,0]=4 16719 B13R1.369 O=CCOCc1ccc(cc1F)F 7a_100011215441_200015260668 [0,3,0,0,0,0|1,0,0]=4 16720 B13R1.369 O=CCOCc1ccc(cc1F)I 34a_200010202041_200009817547 [0,3,0,0,0,0|1,0,0]=4 16721 B13R1.369 O=CCOCc1ccc(cc1F)I 7a_200010202041_200015260668 [0,3,0,0,0,0|1,0,0]=4 16722 B13R1.369 O=CCOCc1ccc(cc1I)Br 7a_100010146605_200015260668 [0,3,0,0,0,0|1,0,0]=4 16723 B13R1.369 O=CCOCc1ccc(cc1I)Cl 34a_100000722340_200009817547 [0,3,0,0,0,0|1,0,0]=4 16724 B13R1.369 O=CCOCc1ccc(cc1I)Cl 7a_100000722340_200015260668 [0,3,0,0,0,0|1,0,0]=4 16725 B13R1.369 O=CCOCc1ccc(cc1I)F 34a_100011356828_200009817547 [0,3,0,0,0,0|1,0,0]=4 16726 B13R1.369 O=CCOCc1ccc(cc1I)F 7a_100011356828_200015260668 [0,3,0,0,0,0|1,0,0]=4 16727 B13R1.371 C#Cc1ccc(cc1)CNCC=C 2230a_100015199678_100000210623 [0,3,0,0,0,0|1,0,0]=4 16728 B13R1.371 C#Cc1ccc(cc1)CNCC=C 2230a_100020586998_100000140223 [0,3,0,0,0,0|1,0,0]=4 16729 B13R1.371 C#Cc1ccc(cc1)CNCC=C 270004a_100020586998_100011361452 [0,3,0,0,0,0|1,0,0]=4 16730 B13R1.371 C#Cc1ccc(cc1)CNCC=C 34a_100015199678_100015514636 [0,3,0,0,0,0|1,0,0]=4 16731 B13R1.371 C#Cc1ccc(cc1)COCC=C 34a_100000054647_100015514636 [0,3,0,0,0,0|0,0,0]=3 16732 B13R1.371 C#Cc1ccc(cc1)COCC=C 34a_200000210373_100000140223 [0,3,0,0,0,0|0,0,0]=3 16733 B13R1.371 C#Cc1ccc(cc1)COCC=C 7a_100000054647_100015514636 [0,3,0,0,0,0|0,0,0]=3 16734 B13R1.371 C#Cc1ccc(cc1)COCC=O 34a_100000054647_200009817547 [0,3,0,0,0,0|1,0,0]=4 16735 B13R1.371 C#Cc1ccc(cc1)COCC=O 7a_100000054647_200015260668 [0,3,0,0,0,0|1,0,0]=4 16736 B13R1.371 C#Cc1ccc(cc1)CSCC=C 62a_100000210623_100000140223 [0,3,0,0,0,0|0,1,0]=4 16737 B13R1.371 C#Cc1ccc(cc1)NC/C=C/C 34a_100011215031_100102629194 [0,3,0,0,0,0|1,0,0]=4 16738 B13R1.371 C#Cc1ccc(cc1)NCC=CC 34a_100011215031_100000070051 [0,3,0,0,0,0|1,0,0]=4 16739 B13R1.371 C#Cc1ccc(cc1)NCCC=C 34a_100011215031_100000754431 [0,3,0,0,0,0|1,0,0]=4 16740 B13R1.371 C#Cc1ccc(nc1)OC/C=C/C 34a_200009884252_100102629194 [0,3,0,0,0,0|1,0,0]=4 16741 B13R1.371 C#Cc1ccc(nc1)OCC=CC 34a_200009884252_100000070051 [0,3,0,0,0,0|1,0,0]=4 16742 B13R1.371 C#Cc1ccc(nc1)OCCC=C 34a_200009884252_100000754431 [0,3,0,0,0,0|1,0,0]=4 16743 B13R1.371 C/C=C/CNc1ccc(cc1)C#N 34a_100000185469_100102629194 [0,3,0,0,0,0|1,0,0]=4 16744 B13R1.371 C/C=C/CNc1ccc(cc1)CC 34a_100000211069_100102629194 [0,3,0,0,0,0|1,0,0]=4 16745 B13R1.371 C/C=C/CNc1ccc(cc1)CO 34a_100011215238_100102629194 [0,3,0,0,0,0|1,0,0]=4 16746 B13R1.371 C/C=C/CNc1ccc(cc1)OC 34a_100000184247_100102629194 [0,3,0,0,0,0|1,0,0]=4 16747 B13R1.371 C/C=C/CNc1ccc(cc1)SC 34a_100000212337_100102629194 [0,3,0,0,0,0|1,0,0]=4 16748 B13R1.371 C/C=C/COc1ccc(cc1)C#N 34a_100000210344_100102629194 [0,3,0,0,0,0|0,0,0]=3 16749 B13R1.371 C/C=C/COc1ccc(cc1)C#N 7a_100000210344_100102629194 [0,3,0,0,0,0|0,0,0]=3 16750 B13R1.371 C/C=C/COc1ccc(cc1)CC 34a_100000211359_100102629194 [0,3,0,0,0,0|0,0,0]=3 16751 B13R1.371 C/C=C/COc1ccc(cc1)CC 7a_100000211359_100102629194 [0,3,0,0,0,0|0,0,0]=3 16752 B13R1.371 C/C=C/COc1ccc(cc1)CN 34a_100000185549_100102629194 [0,3,0,0,0,0|0,0,0]=3 16753 B13R1.371 C/C=C/COc1ccc(cc1)CO 34a_100000211755_100102629194 [0,3,0,0,0,0|0,0,0]=3 16754 B13R1.371 C/C=C/COc1ccc(cc1)NC 34a_100000182112_100102629194 [0,3,0,0,0,0|0,0,0]=3 16755 B13R1.371 C/C=C/COc1ccc(cc1)OC 34a_100000210503_100102629194 [0,3,0,0,0,0|0,0,0]=3 16756 B13R1.371 C/C=C/COc1ccc(cc1)SC 34a_100000211864_100102629194 [0,3,0,0,0,0|0,0,0]=3 16757 B13R1.371 C/C=C/COc1ccc(cn1)CN 34a_100000757128_100102629194 [0,3,0,0,0,0|1,0,0]=4 16758 B13R1.371 C/C=C/COc1ccc(cn1)OC 34a_100012002028_100102629194 [0,3,0,0,0,0|1,0,0]=4 16759 B13R1.371 C/C=C/COc1ccc(nc1)C#N 34a_100011934750_100102629194 [0,3,0,0,0,0|1,0,0]=4 16760 B13R1.371 C/C=C/COc1ccc(nc1)C#N 7a_100011934750_100102629194 [0,3,0,0,0,0|1,0,0]=4 16761 B13R1.371 C/C=C/COc1ccc(nc1)CN 34a_100020605196_100102629194 [0,3,0,0,0,0|1,0,0]=4 16762 B13R1.371 C/C=C/COc1ccc(nc1)CO 34a_103436540053_100102629194 [0,3,0,0,0,0|1,0,0]=4 16763 B13R1.371 C/C=C/COc1ccc(nc1)OC 34a_100011934560_100102629194 [0,3,0,0,0,0|1,0,0]=4 16764 B13R1.371 C/C=C/CSc1ccc(cc1)C#N 62a_100102629194_100000184291 [0,3,0,0,0,0|0,1,0]=4 16765 B13R1.371 C/C=C/CSc1ccc(cc1)C=O 62a_100000188517_100102629194 [0,3,0,0,0,0|0,1,0]=4 16766 B13R1.371 C/C=C/CSc1ccc(cc1)C=O 62a_100102629194_100000188517 [0,3,0,0,0,0|0,1,0]=4 16767 B13R1.371 C/C=C/CSc1ccc(cc1)CC 62a_100011215824_100102629194 [0,3,0,0,0,0|0,1,0]=4 16768 B13R1.371 C/C=C/CSc1ccc(cc1)CC 62a_100102629194_100011215824 [0,3,0,0,0,0|0,1,0]=4 16769 B13R1.371 C/C=C/CSc1ccc(cc1)CF 62a_100010268989_100102629194 [0,3,0,0,0,0|0,1,0]=4 16770 B13R1.371 C/C=C/CSc1ccc(cc1)CF 62a_100102629194_100010268989 [0,3,0,0,0,0|0,1,0]=4 16771 B13R1.371 C/C=C/CSc1ccc(cc1)CN 62a_100016989417_100102629194 [0,3,0,0,0,0|0,1,0]=4 16772 B13R1.371 C/C=C/CSc1ccc(cc1)CN 62a_100102629194_100016989417 [0,3,0,0,0,0|0,1,0]=4 16773 B13R1.371 C/C=C/CSc1ccc(cc1)CO 62a_100000690907_100102629194 [0,3,0,0,0,0|0,1,0]=4 16774 B13R1.371 C/C=C/CSc1ccc(cc1)CO 62a_100102629194_100000690907 [0,3,0,0,0,0|0,1,0]=4 16775 B13R1.371 C/C=C/CSc1ccc(cc1)NC 62a_100000743151_100102629194 [0,3,0,0,0,0|0,1,0]=4 16776 B13R1.371 C/C=C/CSc1ccc(cc1)NC 62a_100102629194_100000743151 [0,3,0,0,0,0|0,1,0]=4 16777 B13R1.371 C/C=C/CSc1ccc(cc1)NN 62a_100016988836_100102629194 [0,3,0,0,0,0|0,1,0]=4 16778 B13R1.371 C/C=C/CSc1ccc(cc1)NN 62a_100102629194_100016988836 [0,3,0,0,0,0|0,1,0]=4 16779 B13R1.371 C/C=C/CSc1ccc(cc1)OC 62a_100102629194_100000171711 [0,3,0,0,0,0|0,1,0]=4 16780 B13R1.371 C/C=C/CSc1ccc(cc1)SC 62a_100011263217_100102629194 [0,3,0,0,0,0|0,1,0]=4 16781 B13R1.371 C/C=C/CSc1ccc(cc1)SC 62a_100102629194_100011263217 [0,3,0,0,0,0|0,1,0]=4 16782 B13R1.371 C=CCCNc1ccc(cc1)C#N 34a_100000185469_100000754431 [0,3,0,0,0,0|1,0,0]=4 16783 B13R1.371 C=CCCNc1ccc(cc1)C=C 34a_100011218248_100000754431 [0,3,0,0,0,0|1,0,0]=4 16784 B13R1.371 C=CCCNc1ccc(cc1)CC 2230a_100000211069_100000754431 [0,3,0,0,0,0|1,0,0]=4 16785 B13R1.371 C=CCCNc1ccc(cc1)CC 34a_100000211069_100000754431 [0,3,0,0,0,0|1,0,0]=4 16786 B13R1.371 C=CCCNc1ccc(cc1)CO 2230a_100011215238_100000754431 [0,3,0,0,0,0|1,0,0]=4 16787 B13R1.371 C=CCCNc1ccc(cc1)CO 34a_100011215238_100000754431 [0,3,0,0,0,0|1,0,0]=4 16788 B13R1.371 C=CCCNc1ccc(cc1)OC 34a_100000184247_100000754431 [0,3,0,0,0,0|1,0,0]=4 16789 B13R1.371 C=CCCNc1ccc(cc1)SC 34a_100000212337_100000754431 [0,3,0,0,0,0|1,0,0]=4 16790 B13R1.371 C=CCCOc1ccc(cc1)C#N 34a_100000210344_100000754431 [0,3,0,0,0,0|0,0,0]=3 16791 B13R1.371 C=CCCOc1ccc(cc1)C#N 7a_100000210344_100000754431 [0,3,0,0,0,0|0,0,0]=3 16792 B13R1.371 C=CCCOc1ccc(cc1)C=C 271570a_100011290941_100012049633 [0,3,0,0,0,0|0,0,0]=3 16793 B13R1.371 C=CCCOc1ccc(cc1)C=C 34a_100000189437_100000754431 [0,3,0,0,0,0|0,0,0]=3 16794 B13R1.371 C=CCCOc1ccc(cc1)C=C 7a_100000189437_100000754431 [0,3,0,0,0,0|0,0,0]=3 16795 B13R1.371 C=CCCOc1ccc(cc1)CC 34a_100000211359_100000754431 [0,3,0,0,0,0|0,0,0]=3 16796 B13R1.371 C=CCCOc1ccc(cc1)CC 7a_100000211359_100000754431 [0,3,0,0,0,0|0,0,0]=3 16797 B13R1.371 C=CCCOc1ccc(cc1)CN 34a_100000185549_100000754431 [0,3,0,0,0,0|0,0,0]=3 16798 B13R1.371 C=CCCOc1ccc(cc1)CO 34a_100000211755_100000754431 [0,3,0,0,0,0|0,0,0]=3 16799 B13R1.371 C=CCCOc1ccc(cc1)NC 34a_100000182112_100000754431 [0,3,0,0,0,0|0,0,0]=3 16800 B13R1.371 C=CCCOc1ccc(cc1)OC 34a_100000210503_100000754431 [0,3,0,0,0,0|0,0,0]=3 16801 B13R1.371 C=CCCOc1ccc(cc1)SC 34a_100000211864_100000754431 [0,3,0,0,0,0|0,0,0]=3 16802 B13R1.371 C=CCCOc1ccc(cc1)SC 62a_100012049633_200000210301 [0,3,0,0,0,0|0,0,0]=3 16803 B13R1.371 C=CCCOc1ccc(cc1)SC 62a_200000210301_100012049633 [0,3,0,0,0,0|0,0,0]=3 16804 B13R1.371 C=CCCOc1ccc(cc1)S[13CH3] 62a_100012049633_200025704644 [0,3,0,0,0,0|0,0,0]=3 16805 B13R1.371 C=CCCOc1ccc(cc1)S[13CH3] 62a_200025704644_100012049633 [0,3,0,0,0,0|0,0,0]=3 16806 B13R1.371 C=CCCOc1ccc(cn1)CN 34a_100000757128_100000754431 [0,3,0,0,0,0|1,0,0]=4 16807 B13R1.371 C=CCCOc1ccc(cn1)OC 34a_100012002028_100000754431 [0,3,0,0,0,0|1,0,0]=4 16808 B13R1.371 C=CCCOc1ccc(nc1)C#N 34a_100011934750_100000754431 [0,3,0,0,0,0|1,0,0]=4 16809 B13R1.371 C=CCCOc1ccc(nc1)C#N 7a_100011934750_100000754431 [0,3,0,0,0,0|1,0,0]=4 16810 B13R1.371 C=CCCOc1ccc(nc1)CN 34a_100020605196_100000754431 [0,3,0,0,0,0|1,0,0]=4 16811 B13R1.371 C=CCCOc1ccc(nc1)CO 34a_103436540053_100000754431 [0,3,0,0,0,0|1,0,0]=4 16812 B13R1.371 C=CCCOc1ccc(nc1)OC 34a_100011934560_100000754431 [0,3,0,0,0,0|1,0,0]=4 16813 B13R1.371 C=CCCSc1ccc(cc1)C#N 62a_100000754431_100000184291 [0,3,0,0,0,0|0,1,0]=4 16814 B13R1.371 C=CCCSc1ccc(cc1)C=C 62a_100000748128_100000754431 [0,3,0,0,0,0|0,1,0]=4 16815 B13R1.371 C=CCCSc1ccc(cc1)C=C 62a_100000754431_100000748128 [0,3,0,0,0,0|0,1,0]=4 16816 B13R1.371 C=CCCSc1ccc(cc1)C=O 62a_100000188517_100000754431 [0,3,0,0,0,0|0,1,0]=4 16817 B13R1.371 C=CCCSc1ccc(cc1)C=O 62a_100000754431_100000188517 [0,3,0,0,0,0|0,1,0]=4 16818 B13R1.371 C=CCCSc1ccc(cc1)CC 62a_100000754431_100011215824 [0,3,0,0,0,0|0,1,0]=4 16819 B13R1.371 C=CCCSc1ccc(cc1)CC 62a_100011215824_100000754431 [0,3,0,0,0,0|0,1,0]=4 16820 B13R1.371 C=CCCSc1ccc(cc1)CF 62a_100000754431_100010268989 [0,3,0,0,0,0|0,1,0]=4 16821 B13R1.371 C=CCCSc1ccc(cc1)CF 62a_100010268989_100000754431 [0,3,0,0,0,0|0,1,0]=4 16822 B13R1.371 C=CCCSc1ccc(cc1)CN 62a_100000754431_100016989417 [0,3,0,0,0,0|0,1,0]=4 16823 B13R1.371 C=CCCSc1ccc(cc1)CN 62a_100016989417_100000754431 [0,3,0,0,0,0|0,1,0]=4 16824 B13R1.371 C=CCCSc1ccc(cc1)CO 62a_100000690907_100000754431 [0,3,0,0,0,0|0,1,0]=4 16825 B13R1.371 C=CCCSc1ccc(cc1)CO 62a_100000754431_100000690907 [0,3,0,0,0,0|0,1,0]=4 16826 B13R1.371 C=CCCSc1ccc(cc1)NC 62a_100000743151_100000754431 [0,3,0,0,0,0|0,1,0]=4 16827 B13R1.371 C=CCCSc1ccc(cc1)NC 62a_100000754431_100000743151 [0,3,0,0,0,0|0,1,0]=4 16828 B13R1.371 C=CCCSc1ccc(cc1)NN 62a_100000754431_100016988836 [0,3,0,0,0,0|0,1,0]=4 16829 B13R1.371 C=CCCSc1ccc(cc1)NN 62a_100016988836_100000754431 [0,3,0,0,0,0|0,1,0]=4 16830 B13R1.371 C=CCCSc1ccc(cc1)OC 62a_100000754431_100000171711 [0,3,0,0,0,0|0,1,0]=4 16831 B13R1.371 C=CCCSc1ccc(cc1)SC 62a_100000754431_100011263217 [0,3,0,0,0,0|0,1,0]=4 16832 B13R1.371 C=CCCSc1ccc(cc1)SC 62a_100011263217_100000754431 [0,3,0,0,0,0|0,1,0]=4 16833 B13R1.371 C=CCNCc1ccc(cc1)C#N 2230a_100020586998_100000184898 [0,3,0,0,0,0|1,0,0]=4 16834 B13R1.371 C=CCNCc1ccc(cc1)C#N 270004a_100020586998_100000211122 [0,3,0,0,0,0|1,0,0]=4 16835 B13R1.371 C=CCNCc1ccc(cc1)C#N 34a_100015207190_100015514636 [0,3,0,0,0,0|1,0,0]=4 16836 B13R1.371 C=CCNCc1ccc(cc1)C=C 2230a_100020586998_100000034074 [0,3,0,0,0,0|1,0,0]=4 16837 B13R1.371 C=CCNCc1ccc(cc1)C=C 270004a_100020586998_100011361436 [0,3,0,0,0,0|1,0,0]=4 16838 B13R1.371 C=CCNCc1ccc(cc1)C=C 34a_200011934891_100015514636 [0,3,0,0,0,0|1,0,0]=4 16839 B13R1.371 C=CCNCc1ccc(cc1)C=O 2230a_100020586998_100009816848 [0,3,0,0,0,0|1,0,0]=4 16840 B13R1.371 C=CCNCc1ccc(cc1)CC 2230a_100000721222_100000210623 [0,3,0,0,0,0|1,0,0]=4 16841 B13R1.371 C=CCNCc1ccc(cc1)CC 2230a_100020586998_100000747183 [0,3,0,0,0,0|1,0,0]=4 16842 B13R1.371 C=CCNCc1ccc(cc1)CC 270004a_100020586998_100000211036 [0,3,0,0,0,0|1,0,0]=4 16843 B13R1.371 C=CCNCc1ccc(cc1)CC 34a_100000721222_100015514636 [0,3,0,0,0,0|1,0,0]=4 16844 B13R1.371 C=CCNCc1ccc(cc1)CO 2230a_100015189231_100000210623 [0,3,0,0,0,0|1,0,0]=4 16845 B13R1.371 C=CCNCc1ccc(cc1)CO 2230a_100020586998_100000067286 [0,3,0,0,0,0|1,0,0]=4 16846 B13R1.371 C=CCNCc1ccc(cc1)CO 270004a_100020586998_100009832023 [0,3,0,0,0,0|1,0,0]=4 16847 B13R1.371 C=CCNCc1ccc(cc1)CO 34a_100015189231_100015514636 [0,3,0,0,0,0|1,0,0]=4 16848 B13R1.371 C=CCNCc1ccc(cc1)OC 2230a_100020586998_100000742318 [0,3,0,0,0,0|1,0,0]=4 16849 B13R1.371 C=CCNCc1ccc(cc1)OC 270004a_100020586998_100000169835 [0,3,0,0,0,0|1,0,0]=4 16850 B13R1.371 C=CCNCc1ccc(cc1)OC 34a_100000185587_100015514636 [0,3,0,0,0,0|1,0,0]=4 16851 B13R1.371 C=CCNCc1ccc(cc1)SC 2230a_100000174980_100000210623 [0,3,0,0,0,0|1,0,0]=4 16852 B13R1.371 C=CCNCc1ccc(cc1)SC 2230a_100020586998_100000181263 [0,3,0,0,0,0|1,0,0]=4 16853 B13R1.371 C=CCNCc1ccc(cc1)SC 270004a_100020586998_100000211154 [0,3,0,0,0,0|1,0,0]=4 16854 B13R1.371 C=CCNCc1ccc(cc1)SC 34a_100000174980_100015514636 [0,3,0,0,0,0|1,0,0]=4 16855 B13R1.371 C=CCNCc1ccc(cc1)SC 62a_100000196220_200000210301 [0,3,0,0,0,0|1,0,0]=4 16856 B13R1.371 C=CCNCc1ccc(cc1)SC 62a_200000210301_100000196220 [0,3,0,0,0,0|1,0,0]=4 16857 B13R1.371 C=CCNCc1ccc(cc1)S[13CH3] 62a_100000196220_200025704644 [0,3,0,0,0,0|1,0,0]=4 16858 B13R1.371 C=CCNCc1ccc(cc1)S[13CH3] 62a_200025704644_100000196220 [0,3,0,0,0,0|1,0,0]=4 16859 B13R1.371 C=CCOCc1ccc(cc1)C#N 34a_100000238739_100015514636 [0,3,0,0,0,0|0,0,0]=3 16860 B13R1.371 C=CCOCc1ccc(cc1)C#N 34a_200000210373_100000184898 [0,3,0,0,0,0|0,0,0]=3 16861 B13R1.371 C=CCOCc1ccc(cc1)C#N 7a_100000238739_100015514636 [0,3,0,0,0,0|0,0,0]=3 16862 B13R1.371 C=CCOCc1ccc(cc1)C=C 34a_100000073583_100015514636 [0,3,0,0,0,0|0,0,0]=3 16863 B13R1.371 C=CCOCc1ccc(cc1)C=C 34a_200000210373_100000034074 [0,3,0,0,0,0|0,0,0]=3 16864 B13R1.371 C=CCOCc1ccc(cc1)C=C 7a_100000073583_100015514636 [0,3,0,0,0,0|0,0,0]=3 16865 B13R1.371 C=CCOCc1ccc(cc1)C=O 34a_200000210373_100009816848 [0,3,0,0,0,0|0,0,0]=3 16866 B13R1.371 C=CCOCc1ccc(cc1)CBr 34a_100012353999_100015514636 [0,3,0,0,0,0|0,0,0]=3 16867 B13R1.371 C=CCOCc1ccc(cc1)CBr 7a_100012353999_100015514636 [0,3,0,0,0,0|0,0,0]=3 16868 B13R1.371 C=CCOCc1ccc(cc1)CC 34a_100000702245_100015514636 [0,3,0,0,0,0|0,0,0]=3 16869 B13R1.371 C=CCOCc1ccc(cc1)CC 34a_200000210373_100000747183 [0,3,0,0,0,0|0,0,0]=3 16870 B13R1.371 C=CCOCc1ccc(cc1)CC 7a_100000702245_100015514636 [0,3,0,0,0,0|0,0,0]=3 16871 B13R1.371 C=CCOCc1ccc(cc1)CCl 34a_100000067286_100015514636 [0,3,0,0,0,0|0,0,0]=3 16872 B13R1.371 C=CCOCc1ccc(cc1)CCl 7a_100000067286_100015514636 [0,3,0,0,0,0|0,0,0]=3 16873 B13R1.371 C=CCOCc1ccc(cc1)CN 34a_100015189231_100015514636 [0,3,0,0,0,0|0,0,0]=3 16874 B13R1.371 C=CCOCc1ccc(cc1)CO 34a_200000210373_100000067286 [0,3,0,0,0,0|0,0,0]=3 16875 B13R1.371 C=CCOCc1ccc(cc1)OC 34a_100000173359_100015514636 [0,3,0,0,0,0|0,0,0]=3 16876 B13R1.371 C=CCOCc1ccc(cc1)OC 34a_200000210373_100000742318 [0,3,0,0,0,0|0,0,0]=3 16877 B13R1.371 C=CCOCc1ccc(cc1)SC 34a_100011215404_100015514636 [0,3,0,0,0,0|0,0,0]=3 16878 B13R1.371 C=CCOCc1ccc(cc1)SC 34a_200000210373_100000181263 [0,3,0,0,0,0|0,0,0]=3 16879 B13R1.371 C=CCOCc1ccc(cc1)SC 7a_100011215404_100015514636 [0,3,0,0,0,0|0,0,0]=3 16880 B13R1.371 C=CCOCc1ccc(cn1)C#N 34a_100000101912_100015514636 [0,3,0,0,0,0|1,0,0]=4 16881 B13R1.371 C=CCOCc1ccc(cn1)C#N 34a_200000210373_100000693164 [0,3,0,0,0,0|1,0,0]=4 16882 B13R1.371 C=CCOCc1ccc(cn1)CC 34a_100000068455_100015514636 [0,3,0,0,0,0|1,0,0]=4 16883 B13R1.371 C=CCOCc1ccc(cn1)OC 34a_100011998694_100015514636 [0,3,0,0,0,0|1,0,0]=4 16884 B13R1.371 C=CCOCc1ccc(cn1)OC 34a_200000210373_200000757186 [0,3,0,0,0,0|1,0,0]=4 16885 B13R1.371 C=CCOCc1ccc(nc1)C#N 34a_100000090650_100015514636 [0,3,0,0,0,0|1,0,0]=4 16886 B13R1.371 C=CCOCc1ccc(nc1)C#N 34a_200000210373_100009816919 [0,3,0,0,0,0|1,0,0]=4 16887 B13R1.371 C=CCOCc1ccc(nc1)C#N 7a_100000090650_100015514636 [0,3,0,0,0,0|1,0,0]=4 16888 B13R1.371 C=CCOCc1ccc(nc1)OC 34a_100000763316_100015514636 [0,3,0,0,0,0|1,0,0]=4 16889 B13R1.371 C=CCOCc1ccc(nc1)OC 34a_200000210373_100020631284 [0,3,0,0,0,0|1,0,0]=4 16890 B13R1.371 C=CCSCc1ccc(cc1)C#N 62a_100000210623_100000184898 [0,3,0,0,0,0|0,1,0]=4 16891 B13R1.371 C=CCSCc1ccc(cc1)C=C 62a_100000034074_100000210623 [0,3,0,0,0,0|0,1,0]=4 16892 B13R1.371 C=CCSCc1ccc(cc1)C=C 62a_100000210623_100000034074 [0,3,0,0,0,0|0,1,0]=4 16893 B13R1.371 C=CCSCc1ccc(cc1)C=O 62a_100000210623_100009816848 [0,3,0,0,0,0|0,1,0]=4 16894 B13R1.371 C=CCSCc1ccc(cc1)C=O 62a_100009816848_100000210623 [0,3,0,0,0,0|0,1,0]=4 16895 B13R1.371 C=CCSCc1ccc(cc1)CC 62a_100000210623_100000747183 [0,3,0,0,0,0|0,1,0]=4 16896 B13R1.371 C=CCSCc1ccc(cc1)CC 62a_100000757233_100000210623 [0,3,0,0,0,0|0,1,0]=4 16897 B13R1.371 C=CCSCc1ccc(cc1)CO 62a_100000067286_100000210623 [0,3,0,0,0,0|0,1,0]=4 16898 B13R1.371 C=CCSCc1ccc(cc1)CO 62a_100000210623_100000067286 [0,3,0,0,0,0|0,1,0]=4 16899 B13R1.371 C=CCSCc1ccc(cc1)OC 62a_100000210623_100000742318 [0,3,0,0,0,0|0,1,0]=4 16900 B13R1.371 C=CCSCc1ccc(cc1)SC 62a_100000181263_100000210623 [0,3,0,0,0,0|0,1,0]=4 16901 B13R1.371 C=CCSCc1ccc(cc1)SC 62a_100000210623_100000181263 [0,3,0,0,0,0|0,1,0]=4 16902 B13R1.371 C=Cc1ccc(cc1)COCC=O 34a_100000073583_200009817547 [0,3,0,0,0,0|1,0,0]=4 16903 B13R1.371 C=Cc1ccc(cc1)COCC=O 7a_100000073583_200015260668 [0,3,0,0,0,0|1,0,0]=4 16904 B13R1.371 C=Cc1ccc(cc1)NC/C=C/C 34a_100011218248_100102629194 [0,3,0,0,0,0|1,0,0]=4 16905 B13R1.371 C=Cc1ccc(cc1)NCC=CC 34a_100011218248_100000070051 [0,3,0,0,0,0|1,0,0]=4 16906 B13R1.371 C=Cc1ccc(cc1)OC/C=C/C 34a_100000189437_100102629194 [0,3,0,0,0,0|0,0,0]=3 16907 B13R1.371 C=Cc1ccc(cc1)OC/C=C/C 7a_100000189437_100102629194 [0,3,0,0,0,0|0,0,0]=3 16908 B13R1.371 C=Cc1ccc(cc1)OCC=CC 34a_100000189437_100000070051 [0,3,0,0,0,0|0,0,0]=3 16909 B13R1.371 C=Cc1ccc(cc1)OCC=CC 7a_100000189437_100000070051 [0,3,0,0,0,0|0,0,0]=3 16910 B13R1.371 C=Cc1ccc(cc1)SC/C=C/C 62a_100000748128_100102629194 [0,3,0,0,0,0|0,1,0]=4 16911 B13R1.371 C=Cc1ccc(cc1)SC/C=C/C 62a_100102629194_100000748128 [0,3,0,0,0,0|0,1,0]=4 16912 B13R1.371 C=Cc1ccc(cc1)SCC=CC 62a_100000070051_100000748128 [0,3,0,0,0,0|0,1,0]=4 16913 B13R1.371 C=Cc1ccc(cc1)SCC=CC 62a_100000748128_100000070051 [0,3,0,0,0,0|0,1,0]=4 16914 B13R1.371 CC=CCNc1ccc(cc1)C#N 34a_100000185469_100000070051 [0,3,0,0,0,0|1,0,0]=4 16915 B13R1.371 CC=CCNc1ccc(cc1)CC 2230a_100000211069_100000070051 [0,3,0,0,0,0|1,0,0]=4 16916 B13R1.371 CC=CCNc1ccc(cc1)CC 34a_100000211069_100000070051 [0,3,0,0,0,0|1,0,0]=4 16917 B13R1.371 CC=CCNc1ccc(cc1)CO 2230a_100011215238_100000070051 [0,3,0,0,0,0|1,0,0]=4 16918 B13R1.371 CC=CCNc1ccc(cc1)CO 34a_100011215238_100000070051 [0,3,0,0,0,0|1,0,0]=4 16919 B13R1.371 CC=CCNc1ccc(cc1)OC 34a_100000184247_100000070051 [0,3,0,0,0,0|1,0,0]=4 16920 B13R1.371 CC=CCNc1ccc(cc1)SC 34a_100000212337_100000070051 [0,3,0,0,0,0|1,0,0]=4 16921 B13R1.371 CC=CCOc1ccc(cc1)C#N 34a_100000210344_100000070051 [0,3,0,0,0,0|0,0,0]=3 16922 B13R1.371 CC=CCOc1ccc(cc1)C#N 7a_100000210344_100000070051 [0,3,0,0,0,0|0,0,0]=3 16923 B13R1.371 CC=CCOc1ccc(cc1)CC 34a_100000211359_100000070051 [0,3,0,0,0,0|0,0,0]=3 16924 B13R1.371 CC=CCOc1ccc(cc1)CC 7a_100000211359_100000070051 [0,3,0,0,0,0|0,0,0]=3 16925 B13R1.371 CC=CCOc1ccc(cc1)CN 34a_100000185549_100000070051 [0,3,0,0,0,0|0,0,0]=3 16926 B13R1.371 CC=CCOc1ccc(cc1)CO 34a_100000211755_100000070051 [0,3,0,0,0,0|0,0,0]=3 16927 B13R1.371 CC=CCOc1ccc(cc1)NC 34a_100000182112_100000070051 [0,3,0,0,0,0|0,0,0]=3 16928 B13R1.371 CC=CCOc1ccc(cc1)OC 34a_100000210503_100000070051 [0,3,0,0,0,0|0,0,0]=3 16929 B13R1.371 CC=CCOc1ccc(cc1)SC 34a_100000211864_100000070051 [0,3,0,0,0,0|0,0,0]=3 16930 B13R1.371 CC=CCOc1ccc(cn1)CN 34a_100000757128_100000070051 [0,3,0,0,0,0|1,0,0]=4 16931 B13R1.371 CC=CCOc1ccc(cn1)OC 34a_100012002028_100000070051 [0,3,0,0,0,0|1,0,0]=4 16932 B13R1.371 CC=CCOc1ccc(nc1)C#N 34a_100011934750_100000070051 [0,3,0,0,0,0|1,0,0]=4 16933 B13R1.371 CC=CCOc1ccc(nc1)C#N 7a_100011934750_100000070051 [0,3,0,0,0,0|1,0,0]=4 16934 B13R1.371 CC=CCOc1ccc(nc1)CN 34a_100020605196_100000070051 [0,3,0,0,0,0|1,0,0]=4 16935 B13R1.371 CC=CCOc1ccc(nc1)CO 34a_103436540053_100000070051 [0,3,0,0,0,0|1,0,0]=4 16936 B13R1.371 CC=CCOc1ccc(nc1)OC 34a_100011934560_100000070051 [0,3,0,0,0,0|1,0,0]=4 16937 B13R1.371 CC=CCSc1ccc(cc1)C#N 62a_100000070051_100000184291 [0,3,0,0,0,0|0,1,0]=4 16938 B13R1.371 CC=CCSc1ccc(cc1)C=O 62a_100000070051_100000188517 [0,3,0,0,0,0|0,1,0]=4 16939 B13R1.371 CC=CCSc1ccc(cc1)C=O 62a_100000188517_100000070051 [0,3,0,0,0,0|0,1,0]=4 16940 B13R1.371 CC=CCSc1ccc(cc1)CC 62a_100000070051_100011215824 [0,3,0,0,0,0|0,1,0]=4 16941 B13R1.371 CC=CCSc1ccc(cc1)CC 62a_100011215824_100000070051 [0,3,0,0,0,0|0,1,0]=4 16942 B13R1.371 CC=CCSc1ccc(cc1)CF 62a_100000070051_100010268989 [0,3,0,0,0,0|0,1,0]=4 16943 B13R1.371 CC=CCSc1ccc(cc1)CF 62a_100010268989_100000070051 [0,3,0,0,0,0|0,1,0]=4 16944 B13R1.371 CC=CCSc1ccc(cc1)CN 62a_100000070051_100016989417 [0,3,0,0,0,0|0,1,0]=4 16945 B13R1.371 CC=CCSc1ccc(cc1)CN 62a_100016989417_100000070051 [0,3,0,0,0,0|0,1,0]=4 16946 B13R1.371 CC=CCSc1ccc(cc1)CO 62a_100000070051_100000690907 [0,3,0,0,0,0|0,1,0]=4 16947 B13R1.371 CC=CCSc1ccc(cc1)CO 62a_100000690907_100000070051 [0,3,0,0,0,0|0,1,0]=4 16948 B13R1.371 CC=CCSc1ccc(cc1)NC 62a_100000070051_100000743151 [0,3,0,0,0,0|0,1,0]=4 16949 B13R1.371 CC=CCSc1ccc(cc1)NC 62a_100000743151_100000070051 [0,3,0,0,0,0|0,1,0]=4 16950 B13R1.371 CC=CCSc1ccc(cc1)NN 62a_100000070051_100016988836 [0,3,0,0,0,0|0,1,0]=4 16951 B13R1.371 CC=CCSc1ccc(cc1)NN 62a_100016988836_100000070051 [0,3,0,0,0,0|0,1,0]=4 16952 B13R1.371 CC=CCSc1ccc(cc1)OC 62a_100000070051_100000171711 [0,3,0,0,0,0|0,1,0]=4 16953 B13R1.371 CC=CCSc1ccc(cc1)SC 62a_100000070051_100011263217 [0,3,0,0,0,0|0,1,0]=4 16954 B13R1.371 CC=CCSc1ccc(cc1)SC 62a_100011263217_100000070051 [0,3,0,0,0,0|0,1,0]=4 16955 B13R1.371 CCc1ccc(cc1)COCC=O 34a_100000702245_200009817547 [0,3,0,0,0,0|1,0,0]=4 16956 B13R1.371 CCc1ccc(cc1)COCC=O 7a_100000702245_200015260668 [0,3,0,0,0,0|1,0,0]=4 16957 B13R1.371 COc1ccc(cc1)COCC=O 34a_100000173359_200009817547 [0,3,0,0,0,0|1,0,0]=4 16958 B13R1.371 CSc1ccc(cc1)COCC=O 34a_100011215404_200009817547 [0,3,0,0,0,0|1,0,0]=4 16959 B13R1.371 CSc1ccc(cc1)COCC=O 7a_100011215404_200015260668 [0,3,0,0,0,0|1,0,0]=4 16960 B13R1.371 N#Cc1ccc(cc1)COCC=O 34a_100000238739_200009817547 [0,3,0,0,0,0|1,0,0]=4 16961 B13R1.371 N#Cc1ccc(cc1)COCC=O 7a_100000238739_200015260668 [0,3,0,0,0,0|1,0,0]=4 16962 B13R1.371 NCc1ccc(cc1)COCC=O 34a_100015189231_200009817547 [0,3,0,0,0,0|1,0,0]=4 16963 B13R1.371 O=CCOCc1ccc(cc1)CBr 34a_100012353999_200009817547 [0,3,0,0,0,0|1,0,0]=4 16964 B13R1.371 O=CCOCc1ccc(cc1)CBr 7a_100012353999_200015260668 [0,3,0,0,0,0|1,0,0]=4 16965 B13R1.371 O=CCOCc1ccc(cc1)CCl 34a_100000067286_200009817547 [0,3,0,0,0,0|1,0,0]=4 16966 B13R1.371 O=CCOCc1ccc(cc1)CCl 7a_100000067286_200015260668 [0,3,0,0,0,0|1,0,0]=4 16967 B13R1.513 C=C(C)CCNc1ccc(cc1)Br 2230a_100000210018_100000730704 [0,3,0,0,0,0|1,0,0]=4 16968 B13R1.513 C=C(C)CCNc1ccc(cc1)Br 34a_100000210018_100000730704 [0,3,0,0,0,0|1,0,0]=4 16969 B13R1.513 C=C(C)CCNc1ccc(cc1)C 34a_100000124888_100000730704 [0,3,0,0,0,0|1,0,0]=4 16970 B13R1.513 C=C(C)CCNc1ccc(cc1)Cl 2230a_100000210052_100000730704 [0,3,0,0,0,0|1,0,0]=4 16971 B13R1.513 C=C(C)CCNc1ccc(cc1)Cl 34a_100000210052_100000730704 [0,3,0,0,0,0|1,0,0]=4 16972 B13R1.513 C=C(C)CCNc1ccc(cc1)F 34a_100000185862_100000730704 [0,3,0,0,0,0|1,0,0]=4 16973 B13R1.513 C=C(C)CCNc1ccc(cc1)I 34a_100000185761_100000730704 [0,3,0,0,0,0|1,0,0]=4 16974 B13R1.513 C=C(C)CCNc1ccc(cc1)O 34a_100000185829_100000730704 [0,3,0,0,0,0|1,0,0]=4 16975 B13R1.513 C=C(C)CCOc1ccc(=O)[nH]c1 34a_100000075641_100000730704 [0,3,0,0,0,0|1,0,0]=4 16976 B13R1.513 C=C(C)CCOc1ccc(cc1)Br 34a_100000185759_100000730704 [0,3,0,0,0,0|0,0,0]=3 16977 B13R1.513 C=C(C)CCOc1ccc(cc1)Br 7a_100000185759_100000730704 [0,3,0,0,0,0|0,0,0]=3 16978 B13R1.513 C=C(C)CCOc1ccc(cc1)C 34a_100000210336_100000730704 [0,3,0,0,0,0|0,0,0]=3 16979 B13R1.513 C=C(C)CCOc1ccc(cc1)C 7a_100000210336_100000730704 [0,3,0,0,0,0|0,0,0]=3 16980 B13R1.513 C=C(C)CCOc1ccc(cc1)Cl 34a_100000210216_100000730704 [0,3,0,0,0,0|0,0,0]=3 16981 B13R1.513 C=C(C)CCOc1ccc(cc1)Cl 7a_100000210216_100000730704 [0,3,0,0,0,0|0,0,0]=3 16982 B13R1.513 C=C(C)CCOc1ccc(cc1)F 34a_100000210339_100000730704 [0,3,0,0,0,0|0,0,0]=3 16983 B13R1.513 C=C(C)CCOc1ccc(cc1)I 34a_100000212066_100000730704 [0,3,0,0,0,0|0,0,0]=3 16984 B13R1.513 C=C(C)CCOc1ccc(cc1)I 7a_100000212066_100000730704 [0,3,0,0,0,0|0,0,0]=3 16985 B13R1.513 C=C(C)CCOc1ccc(cc1)N 34a_100000185829_100000730704 [0,3,0,0,0,0|0,0,0]=3 16986 B13R1.513 C=C(C)CCOc1ccc(cn1)C 34a_100000759353_100000730704 [0,3,0,0,0,0|1,0,0]=4 16987 B13R1.513 C=C(C)CCOc1ccc(cn1)Cl 34a_100011215309_100000730704 [0,3,0,0,0,0|1,0,0]=4 16988 B13R1.513 C=C(C)CCOc1ccc(cn1)F 34a_100000742473_100000730704 [0,3,0,0,0,0|1,0,0]=4 16989 B13R1.513 C=C(C)CCOc1ccc(cn1)N 34a_100000729260_100000730704 [0,3,0,0,0,0|1,0,0]=4 16990 B13R1.513 C=C(C)CCOc1ccc(nc1)Br 34a_100000685995_100000730704 [0,3,0,0,0,0|1,0,0]=4 16991 B13R1.513 C=C(C)CCOc1ccc(nc1)Br 7a_100000685995_100000730704 [0,3,0,0,0,0|1,0,0]=4 16992 B13R1.513 C=C(C)CCOc1ccc(nc1)C 34a_100000745506_100000730704 [0,3,0,0,0,0|1,0,0]=4 16993 B13R1.513 C=C(C)CCOc1ccc(nc1)C 7a_100000745506_100000730704 [0,3,0,0,0,0|1,0,0]=4 16994 B13R1.513 C=C(C)CCOc1ccc(nc1)Cl 34a_100000744096_100000730704 [0,3,0,0,0,0|1,0,0]=4 16995 B13R1.513 C=C(C)CCOc1ccc(nc1)Cl 7a_100000744096_100000730704 [0,3,0,0,0,0|1,0,0]=4 16996 B13R1.513 C=C(C)CCOc1ccc(nc1)F 34a_100000688820_100000730704 [0,3,0,0,0,0|1,0,0]=4 16997 B13R1.513 C=C(C)CCOc1ccc(nc1)F 7a_100000688820_100000730704 [0,3,0,0,0,0|1,0,0]=4 16998 B13R1.513 C=C(C)CCOc1ccc(nc1)I 34a_100000687607_100000730704 [0,3,0,0,0,0|1,0,0]=4 16999 B13R1.513 C=C(C)CCOc1ccc(nc1)I 7a_100000687607_100000730704 [0,3,0,0,0,0|1,0,0]=4 17000 B13R1.513 C=C(C)CCOc1ccc(nc1)N 34a_100015188713_100000730704 [0,3,0,0,0,0|1,0,0]=4 17001 B13R1.513 C=C(C)CCOc1ccc(nc1)N 7a_100015188713_100000730704 [0,3,0,0,0,0|1,0,0]=4 17002 B13R1.513 C=C(C)CCSc1ccc(cc1)Br 62a_100000730704_100000752885 [0,3,0,0,0,0|0,1,0]=4 17003 B13R1.513 C=C(C)CCSc1ccc(cc1)Br 62a_100000752885_100000730704 [0,3,0,0,0,0|0,1,0]=4 17004 B13R1.513 C=C(C)CCSc1ccc(cc1)C 62a_100000186775_100000730704 [0,3,0,0,0,0|0,1,0]=4 17005 B13R1.513 C=C(C)CCSc1ccc(cc1)C 62a_100000730704_100000186775 [0,3,0,0,0,0|0,1,0]=4 17006 B13R1.513 C=C(C)CCSc1ccc(cc1)Cl 62a_100000730704_100000755918 [0,3,0,0,0,0|0,1,0]=4 17007 B13R1.513 C=C(C)CCSc1ccc(cc1)Cl 62a_100000755918_100000730704 [0,3,0,0,0,0|0,1,0]=4 17008 B13R1.513 C=C(C)CCSc1ccc(cc1)F 62a_100000211213_100000730704 [0,3,0,0,0,0|0,1,0]=4 17009 B13R1.513 C=C(C)CCSc1ccc(cc1)F 62a_100000730704_100000211213 [0,3,0,0,0,0|0,1,0]=4 17010 B13R1.513 C=C(C)CCSc1ccc(cc1)N 62a_100000185761_100000730704 [0,3,0,0,0,0|0,1,0]=4 17011 B13R1.513 C=C(C)CCSc1ccc(cc1)N 62a_100000730704_100000185761 [0,3,0,0,0,0|0,1,0]=4 17012 B13R1.513 C=C(C)CCSc1ccc(cc1)O 62a_100000730704_100000185759 [0,3,0,0,0,0|0,1,0]=4 17013 B13R1.513 C=C(C)CNCc1ccc(cc1)Br 2230a_100000174875_100000748629 [0,3,0,0,0,0|1,0,0]=4 17014 B13R1.513 C=C(C)CNCc1ccc(cc1)Br 34a_100000174875_100000748629 [0,3,0,0,0,0|1,0,0]=4 17015 B13R1.513 C=C(C)CNCc1ccc(cc1)C 2230a_100000174908_100000748629 [0,3,0,0,0,0|1,0,0]=4 17016 B13R1.513 C=C(C)CNCc1ccc(cc1)C 34a_100000174908_100000748629 [0,3,0,0,0,0|1,0,0]=4 17017 B13R1.513 C=C(C)CNCc1ccc(cc1)Cl 2230a_100000174871_100000748629 [0,3,0,0,0,0|1,0,0]=4 17018 B13R1.513 C=C(C)CNCc1ccc(cc1)Cl 34a_100000174871_100000748629 [0,3,0,0,0,0|1,0,0]=4 17019 B13R1.513 C=C(C)CNCc1ccc(cc1)F 2230a_100000174882_100000748629 [0,3,0,0,0,0|1,0,0]=4 17020 B13R1.513 C=C(C)CNCc1ccc(cc1)F 34a_100000174882_100000748629 [0,3,0,0,0,0|1,0,0]=4 17021 B13R1.513 C=C(C)CNCc1ccc(cc1)I 2230a_100016989417_100000748629 [0,3,0,0,0,0|1,0,0]=4 17022 B13R1.513 C=C(C)CNCc1ccc(cc1)I 34a_100016989417_100000748629 [0,3,0,0,0,0|1,0,0]=4 17023 B13R1.513 C=C(C)CNCc1ccc(cc1)O 34a_100000185549_100000748629 [0,3,0,0,0,0|1,0,0]=4 17024 B13R1.513 C=C(C)COCc1cc[n+](cc1)C 34a_100009831711_100000748629 [0,3,0,0,0,0|1,0,0]=4 17025 B13R1.513 C=C(C)COCc1cc[n+](cc1)[O-] 34a_100000031831_100000748629 [0,3,0,0,0,0|1,0,0]=4 17026 B13R1.513 C=C(C)COCc1cc[n+](cc1)[O-] 7a_100000031831_100000748629 [0,3,0,0,0,0|1,0,0]=4 17027 B13R1.513 C=C(C)COCc1ccc(=O)[nH]c1 34a_100011999846_100000748629 [0,3,0,0,0,0|1,0,0]=4 17028 B13R1.513 C=C(C)COCc1ccc(cc1)Br 34a_100000210245_100000189115 [0,3,0,0,0,0|0,0,0]=3 17029 B13R1.513 C=C(C)COCc1ccc(cc1)Br 34a_100000695286_100000748629 [0,3,0,0,0,0|0,0,0]=3 17030 B13R1.513 C=C(C)COCc1ccc(cc1)C 34a_100000210245_100000210814 [0,3,0,0,0,0|0,0,0]=3 17031 B13R1.513 C=C(C)COCc1ccc(cc1)C 34a_100011215236_100000748629 [0,3,0,0,0,0|0,0,0]=3 17032 B13R1.513 C=C(C)COCc1ccc(cc1)C 7a_100011215236_100000748629 [0,3,0,0,0,0|0,0,0]=3 17033 B13R1.513 C=C(C)COCc1ccc(cc1)Cl 34a_100000210245_100000694040 [0,3,0,0,0,0|0,0,0]=3 17034 B13R1.513 C=C(C)COCc1ccc(cc1)Cl 34a_100000211118_100000748629 [0,3,0,0,0,0|0,0,0]=3 17035 B13R1.513 C=C(C)COCc1ccc(cc1)Cl 7a_100000211118_100000748629 [0,3,0,0,0,0|0,0,0]=3 17036 B13R1.513 C=C(C)COCc1ccc(cc1)F 34a_100000210245_100000198546 [0,3,0,0,0,0|0,0,0]=3 17037 B13R1.513 C=C(C)COCc1ccc(cc1)F 34a_100000210977_100000748629 [0,3,0,0,0,0|0,0,0]=3 17038 B13R1.513 C=C(C)COCc1ccc(cc1)F 7a_100000210977_100000748629 [0,3,0,0,0,0|0,0,0]=3 17039 B13R1.513 C=C(C)COCc1ccc(cc1)I 34a_100000210245_100000189116 [0,3,0,0,0,0|0,0,0]=3 17040 B13R1.513 C=C(C)COCc1ccc(cc1)I 34a_100000690907_100000748629 [0,3,0,0,0,0|0,0,0]=3 17041 B13R1.513 C=C(C)COCc1ccc(cc1)I 7a_100000690907_100000748629 [0,3,0,0,0,0|0,0,0]=3 17042 B13R1.513 C=C(C)COCc1ccc(cc1)N 34a_100011215238_100000748629 [0,3,0,0,0,0|0,0,0]=3 17043 B13R1.513 C=C(C)COCc1ccc(cn1)Br 34a_100000210245_100000702658 [0,3,0,0,0,0|1,0,0]=4 17044 B13R1.513 C=C(C)COCc1ccc(cn1)Br 34a_100000754261_100000748629 [0,3,0,0,0,0|1,0,0]=4 17045 B13R1.513 C=C(C)COCc1ccc(cn1)C 34a_100000210245_100000691093 [0,3,0,0,0,0|1,0,0]=4 17046 B13R1.513 C=C(C)COCc1ccc(cn1)C 34a_100012001401_100000748629 [0,3,0,0,0,0|1,0,0]=4 17047 B13R1.513 C=C(C)COCc1ccc(cn1)Cl 34a_100000210245_100012066911 [0,3,0,0,0,0|1,0,0]=4 17048 B13R1.513 C=C(C)COCc1ccc(cn1)Cl 34a_100000703999_100000748629 [0,3,0,0,0,0|1,0,0]=4 17049 B13R1.513 C=C(C)COCc1ccc(cn1)F 34a_100000210245_100000703193 [0,3,0,0,0,0|1,0,0]=4 17050 B13R1.513 C=C(C)COCc1ccc(cn1)F 34a_100011999454_100000748629 [0,3,0,0,0,0|1,0,0]=4 17051 B13R1.513 C=C(C)COCc1ccc(cn1)N 34a_100011998161_100000748629 [0,3,0,0,0,0|1,0,0]=4 17052 B13R1.513 C=C(C)COCc1ccc(nc1)Br 34a_100000210245_100009831999 [0,3,0,0,0,0|1,0,0]=4 17053 B13R1.513 C=C(C)COCc1ccc(nc1)Br 34a_100009816760_100000748629 [0,3,0,0,0,0|1,0,0]=4 17054 B13R1.513 C=C(C)COCc1ccc(nc1)Br 7a_100009816760_100000748629 [0,3,0,0,0,0|1,0,0]=4 17055 B13R1.513 C=C(C)COCc1ccc(nc1)C 34a_100000210245_100016987292 [0,3,0,0,0,0|1,0,0]=4 17056 B13R1.513 C=C(C)COCc1ccc(nc1)C 34a_100011248133_100000748629 [0,3,0,0,0,0|1,0,0]=4 17057 B13R1.513 C=C(C)COCc1ccc(nc1)Cl 34a_100000210245_100000735431 [0,3,0,0,0,0|1,0,0]=4 17058 B13R1.513 C=C(C)COCc1ccc(nc1)Cl 34a_100000755211_100000748629 [0,3,0,0,0,0|1,0,0]=4 17059 B13R1.513 C=C(C)COCc1ccc(nc1)Cl 7a_100000755211_100000748629 [0,3,0,0,0,0|1,0,0]=4 17060 B13R1.513 C=C(C)COCc1ccc(nc1)F 34a_100000079959_100000748629 [0,3,0,0,0,0|1,0,0]=4 17061 B13R1.513 C=C(C)COCc1ccc(nc1)F 34a_100000210245_100000099788 [0,3,0,0,0,0|1,0,0]=4 17062 B13R1.513 C=C(C)COCc1ccc(nc1)N 34a_100000704267_100000748629 [0,3,0,0,0,0|1,0,0]=4 17063 B13R1.513 C=C(C)CSCc1ccc(cc1)Br 62a_100000189115_100000211660 [0,3,0,0,0,0|0,1,0]=4 17064 B13R1.513 C=C(C)CSCc1ccc(cc1)Br 62a_100000748629_100000189115 [0,3,0,0,0,0|0,1,0]=4 17065 B13R1.513 C=C(C)CSCc1ccc(cc1)C 62a_100000210814_100000211660 [0,3,0,0,0,0|0,1,0]=4 17066 B13R1.513 C=C(C)CSCc1ccc(cc1)C 62a_100000748629_100000210814 [0,3,0,0,0,0|0,1,0]=4 17067 B13R1.513 C=C(C)CSCc1ccc(cc1)Cl 62a_100000187161_100000211660 [0,3,0,0,0,0|0,1,0]=4 17068 B13R1.513 C=C(C)CSCc1ccc(cc1)Cl 62a_100000748629_100000187161 [0,3,0,0,0,0|0,1,0]=4 17069 B13R1.513 C=C(C)CSCc1ccc(cc1)F 62a_100000198546_100000211660 [0,3,0,0,0,0|0,1,0]=4 17070 B13R1.513 C=C(C)CSCc1ccc(cc1)F 62a_100000748629_100000187164 [0,3,0,0,0,0|0,1,0]=4 17071 B13R1.513 C=C(C)CSCc1ccc(cc1)I 62a_100000189116_100000211660 [0,3,0,0,0,0|0,1,0]=4 17072 B13R1.513 C=C(C)CSCc1ccc(cc1)I 62a_100000748629_100000189116 [0,3,0,0,0,0|0,1,0]=4 17073 B13R1.513 C=C(F)CNCc1ccc(cc1)Br 2230a_100000174875_100009893438 [0,3,0,0,0,0|1,0,0]=4 17074 B13R1.513 C=C(F)CNCc1ccc(cc1)Br 34a_100000174875_100009893438 [0,3,0,0,0,0|1,0,0]=4 17075 B13R1.513 C=C(F)CNCc1ccc(cc1)C 2230a_100000174908_100009893438 [0,3,0,0,0,0|1,0,0]=4 17076 B13R1.513 C=C(F)CNCc1ccc(cc1)C 34a_100000174908_100009893438 [0,3,0,0,0,0|1,0,0]=4 17077 B13R1.513 C=C(F)CNCc1ccc(cc1)Cl 2230a_100000174871_100009893438 [0,3,0,0,0,0|1,0,0]=4 17078 B13R1.513 C=C(F)CNCc1ccc(cc1)Cl 34a_100000174871_100009893438 [0,3,0,0,0,0|1,0,0]=4 17079 B13R1.513 C=C(F)CNCc1ccc(cc1)F 2230a_100000174882_100009893438 [0,3,0,0,0,0|1,0,0]=4 17080 B13R1.513 C=C(F)CNCc1ccc(cc1)F 34a_100000174882_100009893438 [0,3,0,0,0,0|1,0,0]=4 17081 B13R1.513 C=C(F)CNCc1ccc(cc1)I 2230a_100016989417_100009893438 [0,3,0,0,0,0|1,0,0]=4 17082 B13R1.513 C=C(F)CNCc1ccc(cc1)I 34a_100016989417_100009893438 [0,3,0,0,0,0|1,0,0]=4 17083 B13R1.513 C=C(F)CNCc1ccc(cc1)O 34a_100000185549_100009893438 [0,3,0,0,0,0|1,0,0]=4 17084 B13R1.513 C=C(F)COCc1cc[n+](cc1)C 34a_100009831711_100009893438 [0,3,0,0,0,0|1,0,0]=4 17085 B13R1.513 C=C(F)COCc1cc[n+](cc1)[O-] 34a_100000031831_100009893438 [0,3,0,0,0,0|1,0,0]=4 17086 B13R1.513 C=C(F)COCc1cc[n+](cc1)[O-] 7a_100000031831_100000042424 [0,3,0,0,0,0|1,0,0]=4 17087 B13R1.513 C=C(F)COCc1ccc(=O)[nH]c1 34a_100011999846_100009893438 [0,3,0,0,0,0|1,0,0]=4 17088 B13R1.513 C=C(F)COCc1ccc(cc1)Br 34a_100000695286_100009893438 [0,3,0,0,0,0|0,0,0]=3 17089 B13R1.513 C=C(F)COCc1ccc(cc1)Br 34a_200010262243_100000189115 [0,3,0,0,0,0|0,0,0]=3 17090 B13R1.513 C=C(F)COCc1ccc(cc1)C 34a_100011215236_100009893438 [0,3,0,0,0,0|0,0,0]=3 17091 B13R1.513 C=C(F)COCc1ccc(cc1)C 34a_200010262243_100000210814 [0,3,0,0,0,0|0,0,0]=3 17092 B13R1.513 C=C(F)COCc1ccc(cc1)C 7a_100011215236_100000042424 [0,3,0,0,0,0|0,0,0]=3 17093 B13R1.513 C=C(F)COCc1ccc(cc1)Cl 34a_100000211118_100009893438 [0,3,0,0,0,0|0,0,0]=3 17094 B13R1.513 C=C(F)COCc1ccc(cc1)Cl 34a_200010262243_100000694040 [0,3,0,0,0,0|0,0,0]=3 17095 B13R1.513 C=C(F)COCc1ccc(cc1)Cl 7a_100000211118_100000042424 [0,3,0,0,0,0|0,0,0]=3 17096 B13R1.513 C=C(F)COCc1ccc(cc1)F 34a_100000210977_100009893438 [0,3,0,0,0,0|0,0,0]=3 17097 B13R1.513 C=C(F)COCc1ccc(cc1)F 34a_200010262243_100000198546 [0,3,0,0,0,0|0,0,0]=3 17098 B13R1.513 C=C(F)COCc1ccc(cc1)F 7a_100000210977_100000042424 [0,3,0,0,0,0|0,0,0]=3 17099 B13R1.513 C=C(F)COCc1ccc(cc1)I 34a_100000690907_100009893438 [0,3,0,0,0,0|0,0,0]=3 17100 B13R1.513 C=C(F)COCc1ccc(cc1)I 34a_200010262243_100000189116 [0,3,0,0,0,0|0,0,0]=3 17101 B13R1.513 C=C(F)COCc1ccc(cc1)I 7a_100000690907_100000042424 [0,3,0,0,0,0|0,0,0]=3 17102 B13R1.513 C=C(F)COCc1ccc(cc1)N 34a_100011215238_100009893438 [0,3,0,0,0,0|0,0,0]=3 17103 B13R1.513 C=C(F)COCc1ccc(cn1)Br 34a_100000754261_100009893438 [0,3,0,0,0,0|1,0,0]=4 17104 B13R1.513 C=C(F)COCc1ccc(cn1)Br 34a_200010262243_100000702658 [0,3,0,0,0,0|1,0,0]=4 17105 B13R1.513 C=C(F)COCc1ccc(cn1)C 34a_100012001401_100009893438 [0,3,0,0,0,0|1,0,0]=4 17106 B13R1.513 C=C(F)COCc1ccc(cn1)C 34a_200010262243_100000691093 [0,3,0,0,0,0|1,0,0]=4 17107 B13R1.513 C=C(F)COCc1ccc(cn1)Cl 34a_100000703999_100009893438 [0,3,0,0,0,0|1,0,0]=4 17108 B13R1.513 C=C(F)COCc1ccc(cn1)Cl 34a_200010262243_100012066911 [0,3,0,0,0,0|1,0,0]=4 17109 B13R1.513 C=C(F)COCc1ccc(cn1)F 34a_100011999454_100009893438 [0,3,0,0,0,0|1,0,0]=4 17110 B13R1.513 C=C(F)COCc1ccc(cn1)F 34a_200010262243_100000703193 [0,3,0,0,0,0|1,0,0]=4 17111 B13R1.513 C=C(F)COCc1ccc(cn1)N 34a_100011998161_100009893438 [0,3,0,0,0,0|1,0,0]=4 17112 B13R1.513 C=C(F)COCc1ccc(nc1)Br 34a_100009816760_100009893438 [0,3,0,0,0,0|1,0,0]=4 17113 B13R1.513 C=C(F)COCc1ccc(nc1)Br 34a_200010262243_100009831999 [0,3,0,0,0,0|1,0,0]=4 17114 B13R1.513 C=C(F)COCc1ccc(nc1)Br 7a_100009816760_100000042424 [0,3,0,0,0,0|1,0,0]=4 17115 B13R1.513 C=C(F)COCc1ccc(nc1)C 34a_100011248133_100009893438 [0,3,0,0,0,0|1,0,0]=4 17116 B13R1.513 C=C(F)COCc1ccc(nc1)C 34a_200010262243_100016987292 [0,3,0,0,0,0|1,0,0]=4 17117 B13R1.513 C=C(F)COCc1ccc(nc1)Cl 34a_100000755211_100009893438 [0,3,0,0,0,0|1,0,0]=4 17118 B13R1.513 C=C(F)COCc1ccc(nc1)Cl 34a_200010262243_100000735431 [0,3,0,0,0,0|1,0,0]=4 17119 B13R1.513 C=C(F)COCc1ccc(nc1)Cl 7a_100000755211_100000042424 [0,3,0,0,0,0|1,0,0]=4 17120 B13R1.513 C=C(F)COCc1ccc(nc1)F 34a_100000079959_100009893438 [0,3,0,0,0,0|1,0,0]=4 17121 B13R1.513 C=C(F)COCc1ccc(nc1)F 34a_200010262243_100000099788 [0,3,0,0,0,0|1,0,0]=4 17122 B13R1.513 C=C(F)COCc1ccc(nc1)N 34a_100000704267_100009893438 [0,3,0,0,0,0|1,0,0]=4 17123 B13R1.513 C=C(F)CSCc1ccc(cc1)Br 62a_100000042424_100000189115 [0,3,0,0,0,0|0,1,0]=4 17124 B13R1.513 C=C(F)CSCc1ccc(cc1)Br 62a_100000189115_100000042424 [0,3,0,0,0,0|0,1,0]=4 17125 B13R1.513 C=C(F)CSCc1ccc(cc1)C 62a_100000042424_100000210814 [0,3,0,0,0,0|0,1,0]=4 17126 B13R1.513 C=C(F)CSCc1ccc(cc1)C 62a_100000210814_100000042424 [0,3,0,0,0,0|0,1,0]=4 17127 B13R1.513 C=C(F)CSCc1ccc(cc1)Cl 62a_100000042424_100000187161 [0,3,0,0,0,0|0,1,0]=4 17128 B13R1.513 C=C(F)CSCc1ccc(cc1)Cl 62a_100000187161_100000042424 [0,3,0,0,0,0|0,1,0]=4 17129 B13R1.513 C=C(F)CSCc1ccc(cc1)F 62a_100000042424_100000187164 [0,3,0,0,0,0|0,1,0]=4 17130 B13R1.513 C=C(F)CSCc1ccc(cc1)F 62a_100000198546_100000042424 [0,3,0,0,0,0|0,1,0]=4 17131 B13R1.513 C=C(F)CSCc1ccc(cc1)I 62a_100000042424_100000189116 [0,3,0,0,0,0|0,1,0]=4 17132 B13R1.513 C=C(F)CSCc1ccc(cc1)I 62a_100000189116_100000042424 [0,3,0,0,0,0|0,1,0]=4 17133 B13R1.513 CC(=CCNc1ccc(cc1)Br)C 2230a_100000210018_100000761012 [0,3,0,0,0,0|1,0,0]=4 17134 B13R1.513 CC(=CCNc1ccc(cc1)Br)C 34a_100000210018_100000761012 [0,3,0,0,0,0|1,0,0]=4 17135 B13R1.513 CC(=CCNc1ccc(cc1)C)C 34a_100000124888_100000761012 [0,3,0,0,0,0|1,0,0]=4 17136 B13R1.513 CC(=CCNc1ccc(cc1)Cl)C 2230a_100000210052_100000761012 [0,3,0,0,0,0|1,0,0]=4 17137 B13R1.513 CC(=CCNc1ccc(cc1)Cl)C 34a_100000210052_100000761012 [0,3,0,0,0,0|1,0,0]=4 17138 B13R1.513 CC(=CCNc1ccc(cc1)F)C 34a_100000185862_100000761012 [0,3,0,0,0,0|1,0,0]=4 17139 B13R1.513 CC(=CCNc1ccc(cc1)I)C 34a_100000185761_100000761012 [0,3,0,0,0,0|1,0,0]=4 17140 B13R1.513 CC(=CCNc1ccc(cc1)O)C 34a_100000185829_100000761012 [0,3,0,0,0,0|1,0,0]=4 17141 B13R1.513 CC(=CCOc1ccc(=O)[nH]c1)C 34a_100000075641_100000761012 [0,3,0,0,0,0|1,0,0]=4 17142 B13R1.513 CC(=CCOc1ccc(cc1)Br)C 34a_100000185759_100000761012 [0,3,0,0,0,0|0,0,0]=3 17143 B13R1.513 CC(=CCOc1ccc(cc1)Br)C 7a_100000185759_100000761012 [0,3,0,0,0,0|0,0,0]=3 17144 B13R1.513 CC(=CCOc1ccc(cc1)C)C 34a_100000210336_100000761012 [0,3,0,0,0,0|0,0,0]=3 17145 B13R1.513 CC(=CCOc1ccc(cc1)C)C 7a_100000210336_100000761012 [0,3,0,0,0,0|0,0,0]=3 17146 B13R1.513 CC(=CCOc1ccc(cc1)Cl)C 34a_100000210216_100000761012 [0,3,0,0,0,0|0,0,0]=3 17147 B13R1.513 CC(=CCOc1ccc(cc1)Cl)C 7a_100000210216_100000761012 [0,3,0,0,0,0|0,0,0]=3 17148 B13R1.513 CC(=CCOc1ccc(cc1)F)C 34a_100000210339_100000761012 [0,3,0,0,0,0|0,0,0]=3 17149 B13R1.513 CC(=CCOc1ccc(cc1)I)C 34a_100000212066_100000761012 [0,3,0,0,0,0|0,0,0]=3 17150 B13R1.513 CC(=CCOc1ccc(cc1)I)C 7a_100000212066_100000761012 [0,3,0,0,0,0|0,0,0]=3 17151 B13R1.513 CC(=CCOc1ccc(cc1)N)C 34a_100000185829_100000761012 [0,3,0,0,0,0|0,0,0]=3 17152 B13R1.513 CC(=CCOc1ccc(cn1)C)C 34a_100000759353_100000761012 [0,3,0,0,0,0|1,0,0]=4 17153 B13R1.513 CC(=CCOc1ccc(cn1)Cl)C 34a_100011215309_100000761012 [0,3,0,0,0,0|1,0,0]=4 17154 B13R1.513 CC(=CCOc1ccc(cn1)F)C 34a_100000742473_100000761012 [0,3,0,0,0,0|1,0,0]=4 17155 B13R1.513 CC(=CCOc1ccc(cn1)N)C 34a_100000729260_100000761012 [0,3,0,0,0,0|1,0,0]=4 17156 B13R1.513 CC(=CCOc1ccc(nc1)Br)C 34a_100000685995_100000761012 [0,3,0,0,0,0|1,0,0]=4 17157 B13R1.513 CC(=CCOc1ccc(nc1)Br)C 7a_100000685995_100000761012 [0,3,0,0,0,0|1,0,0]=4 17158 B13R1.513 CC(=CCOc1ccc(nc1)C)C 34a_100000745506_100000761012 [0,3,0,0,0,0|1,0,0]=4 17159 B13R1.513 CC(=CCOc1ccc(nc1)C)C 7a_100000745506_100000761012 [0,3,0,0,0,0|1,0,0]=4 17160 B13R1.513 CC(=CCOc1ccc(nc1)Cl)C 34a_100000744096_100000761012 [0,3,0,0,0,0|1,0,0]=4 17161 B13R1.513 CC(=CCOc1ccc(nc1)Cl)C 7a_100000744096_100000761012 [0,3,0,0,0,0|1,0,0]=4 17162 B13R1.513 CC(=CCOc1ccc(nc1)F)C 34a_100000688820_100000761012 [0,3,0,0,0,0|1,0,0]=4 17163 B13R1.513 CC(=CCOc1ccc(nc1)F)C 7a_100000688820_100000761012 [0,3,0,0,0,0|1,0,0]=4 17164 B13R1.513 CC(=CCOc1ccc(nc1)I)C 34a_100000687607_100000761012 [0,3,0,0,0,0|1,0,0]=4 17165 B13R1.513 CC(=CCOc1ccc(nc1)I)C 7a_100000687607_100000761012 [0,3,0,0,0,0|1,0,0]=4 17166 B13R1.513 CC(=CCOc1ccc(nc1)N)C 34a_100015188713_100000761012 [0,3,0,0,0,0|1,0,0]=4 17167 B13R1.513 CC(=CCOc1ccc(nc1)N)C 7a_100015188713_100000761012 [0,3,0,0,0,0|1,0,0]=4 17168 B13R1.513 CC(=CCSc1ccc(cc1)Br)C 62a_100000752885_100000761012 [0,3,0,0,0,0|0,1,0]=4 17169 B13R1.513 CC(=CCSc1ccc(cc1)Br)C 62a_100000761012_100000752885 [0,3,0,0,0,0|0,1,0]=4 17170 B13R1.513 CC(=CCSc1ccc(cc1)C)C 62a_100000186775_100000761012 [0,3,0,0,0,0|0,1,0]=4 17171 B13R1.513 CC(=CCSc1ccc(cc1)C)C 62a_100000761012_100000186775 [0,3,0,0,0,0|0,1,0]=4 17172 B13R1.513 CC(=CCSc1ccc(cc1)Cl)C 62a_100000755918_100000761012 [0,3,0,0,0,0|0,1,0]=4 17173 B13R1.513 CC(=CCSc1ccc(cc1)Cl)C 62a_100000761012_100000755918 [0,3,0,0,0,0|0,1,0]=4 17174 B13R1.513 CC(=CCSc1ccc(cc1)F)C 62a_100000211213_100000761012 [0,3,0,0,0,0|0,1,0]=4 17175 B13R1.513 CC(=CCSc1ccc(cc1)F)C 62a_100000761012_100000211213 [0,3,0,0,0,0|0,1,0]=4 17176 B13R1.513 CC(=CCSc1ccc(cc1)N)C 62a_100000185761_100000761012 [0,3,0,0,0,0|0,1,0]=4 17177 B13R1.513 CC(=CCSc1ccc(cc1)N)C 62a_100000761012_100000185761 [0,3,0,0,0,0|0,1,0]=4 17178 B13R1.513 CC(=CCSc1ccc(cc1)O)C 62a_100000761012_100000185759 [0,3,0,0,0,0|0,1,0]=4 17179 B13R1.513 CC(=O)CCOc1ccc(cc1)Br 1458a_100000070787_100000183278 [0,3,0,0,0,0|0,0,1]=4 17180 B13R1.513 CC(=O)CCOc1ccc(cc1)Br 1458a_100000738328_200000210301 [0,3,0,0,0,0|0,0,1]=4 17181 B13R1.513 CC(=O)CCOc1ccc(cc1)Br 7a_100000185759_100000053229 [0,3,0,0,0,0|0,0,1]=4 17182 B13R1.513 CC(=O)CCOc1ccc(cc1)C 1458a_100000070787_100000183172 [0,3,0,0,0,0|0,0,1]=4 17183 B13R1.513 CC(=O)CCOc1ccc(cc1)C 1458a_100000182323_200000210301 [0,3,0,0,0,0|0,0,1]=4 17184 B13R1.513 CC(=O)CCOc1ccc(cc1)C 7a_100000210336_100000053229 [0,3,0,0,0,0|0,0,1]=4 17185 B13R1.513 CC(=O)CCOc1ccc(cc1)Cl 1458a_100000070787_100000184122 [0,3,0,0,0,0|0,0,1]=4 17186 B13R1.513 CC(=O)CCOc1ccc(cc1)Cl 1458a_100000186438_200000210301 [0,3,0,0,0,0|0,0,1]=4 17187 B13R1.513 CC(=O)CCOc1ccc(cc1)Cl 7a_100000210216_100000053229 [0,3,0,0,0,0|0,0,1]=4 17188 B13R1.513 CC(=O)CCOc1ccc(cc1)F 1458a_100000070787_100000184936 [0,3,0,0,0,0|0,0,1]=4 17189 B13R1.513 CC(=O)CCOc1ccc(cc1)F 1458a_100000737396_200000210301 [0,3,0,0,0,0|0,0,1]=4 17190 B13R1.513 CC(=O)CCOc1ccc(cc1)I 7a_100000212066_100000053229 [0,3,0,0,0,0|0,0,1]=4 17191 B13R1.513 CC(=O)COCc1ccc(cc1)Br 1458a_200012349173_200000210301 [0,3,0,0,0,0|0,0,1]=4 17192 B13R1.513 CC(=O)COCc1ccc(cc1)Br 34a_100000211253_100000189115 [0,3,0,0,0,0|0,0,1]=4 17193 B13R1.513 CC(=O)COCc1ccc(cc1)C 34a_100000211253_100000210814 [0,3,0,0,0,0|0,0,1]=4 17194 B13R1.513 CC(=O)COCc1ccc(cc1)Cl 34a_100000211253_100000694040 [0,3,0,0,0,0|0,0,1]=4 17195 B13R1.513 CC(=O)COCc1ccc(cc1)F 34a_100000211253_100000198546 [0,3,0,0,0,0|0,0,1]=4 17196 B13R1.513 CC(=O)COCc1ccc(cc1)I 34a_100000211253_100000189116 [0,3,0,0,0,0|0,0,1]=4 17197 B13R1.513 CC(=O)OCOc1ccc(cc1)Br 34a_100000185759_100009813279 [0,3,0,0,0,0|0,0,1]=4 17198 B13R1.513 CC(=O)OCOc1ccc(cc1)C 34a_100000210336_100009813279 [0,3,0,0,0,0|0,0,1]=4 17199 B13R1.513 CC(=O)OCOc1ccc(cc1)Cl 34a_100000210216_100009813279 [0,3,0,0,0,0|0,0,1]=4 17200 B13R1.513 CC(=O)OCOc1ccc(cc1)F 34a_100000210339_100009813279 [0,3,0,0,0,0|0,0,1]=4 17201 B13R1.513 CC(=O)OCOc1ccc(cc1)I 34a_100000212066_100009813279 [0,3,0,0,0,0|0,0,1]=4 17202 B13R1.513 CC(=O)OCOc1ccc(cc1)N 34a_100000185829_100009813279 [0,3,0,0,0,0|0,0,1]=4 17203 B13R1.513 Cc1ccc(cc1)COCC(=O)N 34a_100011215236_100000187820 [0,3,0,0,0,0|1,0,0]=4 17204 B13R1.513 Cc1ccc(cc1)COCC(=O)N 7a_100011215236_100000187820 [0,3,0,0,0,0|1,0,0]=4 17205 B13R1.513 Cc1ccc(cc1)COCC(=O)[O-] 34a_100011215236_100020667443 [0,3,0,0,0,0|1,0,0]=4 17206 B13R1.513 Cc1ccc(cc1)OCCC(=O)N 34a_100000210336_100000731001 [0,3,0,0,0,0|0,0,1]=4 17207 B13R1.513 Cc1ccc(cc1)OCCC(=O)N 7a_100000210336_100000744528 [0,3,0,0,0,0|0,0,1]=4 17208 B13R1.513 Cc1ccc(cc1)OCCC(=O)[13CH3] 1458a_100000182323_200025704644 [0,3,0,0,0,0|0,0,1]=4 17209 B13R1.513 NC(=O)CCOc1ccc(cc1)Br 34a_100000185759_100000731001 [0,3,0,0,0,0|0,0,1]=4 17210 B13R1.513 NC(=O)CCOc1ccc(cc1)Br 7a_100000185759_100000744528 [0,3,0,0,0,0|0,0,1]=4 17211 B13R1.513 NC(=O)CCOc1ccc(cc1)Cl 34a_100000210216_100000731001 [0,3,0,0,0,0|0,0,1]=4 17212 B13R1.513 NC(=O)CCOc1ccc(cc1)Cl 7a_100000210216_100000744528 [0,3,0,0,0,0|0,0,1]=4 17213 B13R1.513 NC(=O)CCOc1ccc(cc1)F 34a_100000210339_100000731001 [0,3,0,0,0,0|0,0,1]=4 17214 B13R1.513 NC(=O)CCOc1ccc(cc1)I 34a_100000212066_100000731001 [0,3,0,0,0,0|0,0,1]=4 17215 B13R1.513 NC(=O)CCOc1ccc(cc1)I 7a_100000212066_100000744528 [0,3,0,0,0,0|0,0,1]=4 17216 B13R1.513 NC(=O)CCOc1ccc(cc1)N 34a_100000185829_100000731001 [0,3,0,0,0,0|0,0,1]=4 17217 B13R1.513 NC(=O)COCc1ccc(cc1)Br 34a_100000695286_100000187820 [0,3,0,0,0,0|1,0,0]=4 17218 B13R1.513 NC(=O)COCc1ccc(cc1)Cl 34a_100000211118_100000187820 [0,3,0,0,0,0|1,0,0]=4 17219 B13R1.513 NC(=O)COCc1ccc(cc1)Cl 7a_100000211118_100000187820 [0,3,0,0,0,0|1,0,0]=4 17220 B13R1.513 NC(=O)COCc1ccc(cc1)F 34a_100000210977_100000187820 [0,3,0,0,0,0|1,0,0]=4 17221 B13R1.513 NC(=O)COCc1ccc(cc1)F 7a_100000210977_100000187820 [0,3,0,0,0,0|1,0,0]=4 17222 B13R1.513 NC(=O)COCc1ccc(cc1)I 34a_100000690907_100000187820 [0,3,0,0,0,0|1,0,0]=4 17223 B13R1.513 NC(=O)COCc1ccc(cc1)I 7a_100000690907_100000187820 [0,3,0,0,0,0|1,0,0]=4 17224 B13R1.513 NC(=O)COCc1ccc(cc1)N 34a_100011215238_100000187820 [0,3,0,0,0,0|1,0,0]=4 17225 B13R1.513 Nc1ccc(cc1)COCC(=O)[O-] 34a_100011215238_100020667443 [0,3,0,0,0,0|1,0,0]=4 17226 B13R1.513 O=C([O-])COCc1ccc(cc1)Br 34a_100000695286_100020667443 [0,3,0,0,0,0|1,0,0]=4 17227 B13R1.513 O=C([O-])COCc1ccc(cc1)Cl 34a_100000211118_100020667443 [0,3,0,0,0,0|1,0,0]=4 17228 B13R1.513 O=C([O-])COCc1ccc(cc1)F 34a_100000210977_100020667443 [0,3,0,0,0,0|1,0,0]=4 17229 B13R1.513 O=C([O-])COCc1ccc(cc1)I 34a_100000690907_100020667443 [0,3,0,0,0,0|1,0,0]=4 17230 B13R1.513 [13CH3]C(=O)CCOc1ccc(cc1)Br 1458a_100000738328_200025704644 [0,3,0,0,0,0|0,0,1]=4 17231 B13R1.513 [13CH3]C(=O)CCOc1ccc(cc1)Cl 1458a_100000186438_200025704644 [0,3,0,0,0,0|0,0,1]=4 17232 B13R1.513 [13CH3]C(=O)CCOc1ccc(cc1)F 1458a_100000737396_200025704644 [0,3,0,0,0,0|0,0,1]=4 17233 B13R1.513 [13CH3]C(=O)COCc1ccc(cc1)Br 1458a_200012349173_200025704644 [0,3,0,0,0,0|0,0,1]=4 17234 B13R1.669 C/C=C/CNc1ccc(c(c1)Br)Br 34a_100011306057_100102629194 [0,3,0,0,0,0|1,0,0]=4 17235 B13R1.669 C/C=C/CNc1ccc(c(c1)Br)Br 7a_100011306057_100102629194 [0,3,0,0,0,0|1,0,0]=4 17236 B13R1.669 C/C=C/CNc1ccc(c(c1)Br)C 34a_100000736455_100102629194 [0,3,0,0,0,0|1,0,0]=4 17237 B13R1.669 C/C=C/CNc1ccc(c(c1)Br)C 7a_100000736455_100102629194 [0,3,0,0,0,0|1,0,0]=4 17238 B13R1.669 C/C=C/CNc1ccc(c(c1)Br)Cl 34a_100000686031_100102629194 [0,3,0,0,0,0|1,0,0]=4 17239 B13R1.669 C/C=C/CNc1ccc(c(c1)Br)F 34a_100000760356_100102629194 [0,3,0,0,0,0|1,0,0]=4 17240 B13R1.669 C/C=C/CNc1ccc(c(c1)Br)F 7a_100000760356_100102629194 [0,3,0,0,0,0|1,0,0]=4 17241 B13R1.669 C/C=C/CNc1ccc(c(c1)Br)I 34a_100000750458_100102629194 [0,3,0,0,0,0|1,0,0]=4 17242 B13R1.669 C/C=C/CNc1ccc(c(c1)Br)O 34a_100011534360_100102629194 [0,3,0,0,0,0|1,0,0]=4 17243 B13R1.669 C/C=C/CNc1ccc(c(c1)C)Br 34a_100000210723_100102629194 [0,3,0,0,0,0|1,0,0]=4 17244 B13R1.669 C/C=C/CNc1ccc(c(c1)C)Br 7a_100000210723_100102629194 [0,3,0,0,0,0|1,0,0]=4 17245 B13R1.669 C/C=C/CNc1ccc(c(c1)C)C 34a_100000724040_100102629194 [0,3,0,0,0,0|1,0,0]=4 17246 B13R1.669 C/C=C/CNc1ccc(c(c1)C)C 7a_100000724040_100102629194 [0,3,0,0,0,0|1,0,0]=4 17247 B13R1.669 C/C=C/CNc1ccc(c(c1)C)Cl 34a_100000187808_100102629194 [0,3,0,0,0,0|1,0,0]=4 17248 B13R1.669 C/C=C/CNc1ccc(c(c1)C)Cl 7a_100000187808_100102629194 [0,3,0,0,0,0|1,0,0]=4 17249 B13R1.669 C/C=C/CNc1ccc(c(c1)C)F 34a_100000750164_100102629194 [0,3,0,0,0,0|1,0,0]=4 17250 B13R1.669 C/C=C/CNc1ccc(c(c1)C)F 7a_100000750164_100102629194 [0,3,0,0,0,0|1,0,0]=4 17251 B13R1.669 C/C=C/CNc1ccc(c(c1)C)I 34a_100000198070_100102629194 [0,3,0,0,0,0|1,0,0]=4 17252 B13R1.669 C/C=C/CNc1ccc(c(c1)C)I 7a_100000198070_100102629194 [0,3,0,0,0,0|1,0,0]=4 17253 B13R1.669 C/C=C/CNc1ccc(c(c1)C)O 34a_100011218179_100102629194 [0,3,0,0,0,0|1,0,0]=4 17254 B13R1.669 C/C=C/CNc1ccc(c(c1)C)O 7a_100011218179_100102629194 [0,3,0,0,0,0|1,0,0]=4 17255 B13R1.669 C/C=C/CNc1ccc(c(c1)Cl)Br 34a_100000687081_100102629194 [0,3,0,0,0,0|1,0,0]=4 17256 B13R1.669 C/C=C/CNc1ccc(c(c1)Cl)Br 7a_100000687081_100102629194 [0,3,0,0,0,0|1,0,0]=4 17257 B13R1.669 C/C=C/CNc1ccc(c(c1)Cl)C 34a_100000188892_100102629194 [0,3,0,0,0,0|1,0,0]=4 17258 B13R1.669 C/C=C/CNc1ccc(c(c1)Cl)C 7a_100000188892_100102629194 [0,3,0,0,0,0|1,0,0]=4 17259 B13R1.669 C/C=C/CNc1ccc(c(c1)Cl)Cl 34a_100000184108_100102629194 [0,3,0,0,0,0|1,0,0]=4 17260 B13R1.669 C/C=C/CNc1ccc(c(c1)Cl)F 34a_100000211060_100102629194 [0,3,0,0,0,0|1,0,0]=4 17261 B13R1.669 C/C=C/CNc1ccc(c(c1)Cl)F 7a_100000211060_100102629194 [0,3,0,0,0,0|1,0,0]=4 17262 B13R1.669 C/C=C/CNc1ccc(c(c1)Cl)I 34a_100000761885_100102629194 [0,3,0,0,0,0|1,0,0]=4 17263 B13R1.669 C/C=C/CNc1ccc(c(c1)Cl)O 34a_100000744943_100102629194 [0,3,0,0,0,0|1,0,0]=4 17264 B13R1.669 C/C=C/CNc1ccc(c(c1)F)Br 34a_100000759894_100102629194 [0,3,0,0,0,0|1,0,0]=4 17265 B13R1.669 C/C=C/CNc1ccc(c(c1)F)Br 7a_100000759894_100102629194 [0,3,0,0,0,0|1,0,0]=4 17266 B13R1.669 C/C=C/CNc1ccc(c(c1)F)C 34a_100000210958_100102629194 [0,3,0,0,0,0|1,0,0]=4 17267 B13R1.669 C/C=C/CNc1ccc(c(c1)F)C 7a_100000210958_100102629194 [0,3,0,0,0,0|1,0,0]=4 17268 B13R1.669 C/C=C/CNc1ccc(c(c1)F)Cl 34a_100000739366_100102629194 [0,3,0,0,0,0|1,0,0]=4 17269 B13R1.669 C/C=C/CNc1ccc(c(c1)F)Cl 7a_100000739366_100102629194 [0,3,0,0,0,0|1,0,0]=4 17270 B13R1.669 C/C=C/CNc1ccc(c(c1)F)F 34a_100000210724_100102629194 [0,3,0,0,0,0|1,0,0]=4 17271 B13R1.669 C/C=C/CNc1ccc(c(c1)F)F 7a_100000210724_100102629194 [0,3,0,0,0,0|1,0,0]=4 17272 B13R1.669 C/C=C/CNc1ccc(c(c1)F)I 34a_100011356925_100102629194 [0,3,0,0,0,0|1,0,0]=4 17273 B13R1.669 C/C=C/CNc1ccc(c(c1)F)I 7a_100011356925_100102629194 [0,3,0,0,0,0|1,0,0]=4 17274 B13R1.669 C/C=C/CNc1ccc(c(c1)F)O 34a_100011220035_100102629194 [0,3,0,0,0,0|1,0,0]=4 17275 B13R1.669 C/C=C/CNc1ccc(c(c1)F)O 7a_100011220035_100102629194 [0,3,0,0,0,0|1,0,0]=4 17276 B13R1.669 C/C=C/CNc1ccc(c(c1)I)Br 34a_100000750459_100102629194 [0,3,0,0,0,0|1,0,0]=4 17277 B13R1.669 C/C=C/CNc1ccc(c(c1)I)C 34a_100000184131_100102629194 [0,3,0,0,0,0|1,0,0]=4 17278 B13R1.669 C/C=C/CNc1ccc(c(c1)I)C 7a_100000184131_100102629194 [0,3,0,0,0,0|1,0,0]=4 17279 B13R1.669 C/C=C/CNc1ccc(c(c1)I)Cl 34a_100012360549_100102629194 [0,3,0,0,0,0|1,0,0]=4 17280 B13R1.669 C/C=C/CNc1ccc(c(c1)I)F 34a_114828291077_100102629194 [0,3,0,0,0,0|1,0,0]=4 17281 B13R1.669 C/C=C/CNc1ccc(c(c1)I)F 7a_114828291077_100102629194 [0,3,0,0,0,0|1,0,0]=4 17282 B13R1.669 C/C=C/CNc1ccc(c(c1)O)C 34a_100000759471_100102629194 [0,3,0,0,0,0|1,0,0]=4 17283 B13R1.669 C/C=C/CNc1ccc(c(c1)O)C 7a_100000759471_100102629194 [0,3,0,0,0,0|1,0,0]=4 17284 B13R1.669 C/C=C/CNc1ccc(c(c1)O)Cl 34a_100011934209_100102629194 [0,3,0,0,0,0|1,0,0]=4 17285 B13R1.669 C/C=C/CNc1ccc(c(c1)O)F 34a_100012017398_100102629194 [0,3,0,0,0,0|1,0,0]=4 17286 B13R1.669 C/C=C/CNc1ccc(c(c1)O)F 7a_100012017398_100102629194 [0,3,0,0,0,0|1,0,0]=4 17287 B13R1.669 C/C=C/CNc1ccc(c(c1)O)O 34a_100102946323_100102629194 [0,3,0,0,0,0|1,0,0]=4 17288 B13R1.669 C/C=C/COc1cc(c(cn1)Br)C 34a_100000766222_100102629194 [0,3,0,0,0,0|1,0,0]=4 17289 B13R1.669 C/C=C/COc1cc(c(cn1)Br)Cl 34a_100010369989_100102629194 [0,3,0,0,0,0|1,0,0]=4 17290 B13R1.669 C/C=C/COc1cc(c(cn1)C)Br 34a_100009831917_100102629194 [0,3,0,0,0,0|1,0,0]=4 17291 B13R1.669 C/C=C/COc1cc(c(cn1)Cl)C 34a_200000085746_100102629194 [0,3,0,0,0,0|1,0,0]=4 17292 B13R1.669 C/C=C/COc1cc(c(cn1)Cl)Cl 34a_200000099200_100102629194 [0,3,0,0,0,0|1,0,0]=4 17293 B13R1.669 C/C=C/COc1ccc(c(c1)Br)C 34a_100011380479_100102629194 [0,3,0,0,0,0|0,0,0]=3 17294 B13R1.669 C/C=C/COc1ccc(c(c1)Br)C 7a_100011380479_100102629194 [0,3,0,0,0,0|0,0,0]=3 17295 B13R1.669 C/C=C/COc1ccc(c(c1)Br)Cl 34a_100011933957_100102629194 [0,3,0,0,0,0|0,0,0]=3 17296 B13R1.669 C/C=C/COc1ccc(c(c1)Br)Cl 7a_100011933957_100102629194 [0,3,0,0,0,0|0,0,0]=3 17297 B13R1.669 C/C=C/COc1ccc(c(c1)Br)F 34a_100000693481_100102629194 [0,3,0,0,0,0|0,0,0]=3 17298 B13R1.669 C/C=C/COc1ccc(c(c1)Br)F 7a_100000693481_100102629194 [0,3,0,0,0,0|0,0,0]=3 17299 B13R1.669 C/C=C/COc1ccc(c(c1)Br)I 34a_100000701344_100102629194 [0,3,0,0,0,0|0,0,0]=3 17300 B13R1.669 C/C=C/COc1ccc(c(c1)Br)I 7a_100000701344_100102629194 [0,3,0,0,0,0|0,0,0]=3 17301 B13R1.669 C/C=C/COc1ccc(c(c1)Br)N 34a_100012001276_100102629194 [0,3,0,0,0,0|0,0,0]=3 17302 B13R1.669 C/C=C/COc1ccc(c(c1)Br)N 7a_100012001276_100102629194 [0,3,0,0,0,0|0,0,0]=3 17303 B13R1.669 C/C=C/COc1ccc(c(c1)C)Br 34a_100000690111_100102629194 [0,3,0,0,0,0|0,0,0]=3 17304 B13R1.669 C/C=C/COc1ccc(c(c1)C)Br 7a_100000690111_100102629194 [0,3,0,0,0,0|0,0,0]=3 17305 B13R1.669 C/C=C/COc1ccc(c(c1)C)C 34a_100000210932_100102629194 [0,3,0,0,0,0|0,0,0]=3 17306 B13R1.669 C/C=C/COc1ccc(c(c1)C)C 7a_100000210932_100102629194 [0,3,0,0,0,0|0,0,0]=3 17307 B13R1.669 C/C=C/COc1ccc(c(c1)C)Cl 34a_100000211092_100102629194 [0,3,0,0,0,0|0,0,0]=3 17308 B13R1.669 C/C=C/COc1ccc(c(c1)C)Cl 7a_100000211092_100102629194 [0,3,0,0,0,0|0,0,0]=3 17309 B13R1.669 C/C=C/COc1ccc(c(c1)C)F 34a_100000751312_100102629194 [0,3,0,0,0,0|0,0,0]=3 17310 B13R1.669 C/C=C/COc1ccc(c(c1)C)F 7a_100000751312_100102629194 [0,3,0,0,0,0|0,0,0]=3 17311 B13R1.669 C/C=C/COc1ccc(c(c1)C)I 34a_100000729255_100102629194 [0,3,0,0,0,0|0,0,0]=3 17312 B13R1.669 C/C=C/COc1ccc(c(c1)C)I 7a_100000729255_100102629194 [0,3,0,0,0,0|0,0,0]=3 17313 B13R1.669 C/C=C/COc1ccc(c(c1)C)N 34a_100000756630_100102629194 [0,3,0,0,0,0|0,0,0]=3 17314 B13R1.669 C/C=C/COc1ccc(c(c1)C)N 7a_100000756630_100102629194 [0,3,0,0,0,0|0,0,0]=3 17315 B13R1.669 C/C=C/COc1ccc(c(c1)Cl)Br 34a_100011215161_100102629194 [0,3,0,0,0,0|0,0,0]=3 17316 B13R1.669 C/C=C/COc1ccc(c(c1)Cl)Br 7a_100011215161_100102629194 [0,3,0,0,0,0|0,0,0]=3 17317 B13R1.669 C/C=C/COc1ccc(c(c1)Cl)C 34a_100011265682_100102629194 [0,3,0,0,0,0|0,0,0]=3 17318 B13R1.669 C/C=C/COc1ccc(c(c1)Cl)C 7a_100011265682_100102629194 [0,3,0,0,0,0|0,0,0]=3 17319 B13R1.669 C/C=C/COc1ccc(c(c1)Cl)Cl 34a_100000211054_100102629194 [0,3,0,0,0,0|0,0,0]=3 17320 B13R1.669 C/C=C/COc1ccc(c(c1)Cl)Cl 7a_100000211054_100102629194 [0,3,0,0,0,0|0,0,0]=3 17321 B13R1.669 C/C=C/COc1ccc(c(c1)Cl)F 34a_100000211030_100102629194 [0,3,0,0,0,0|0,0,0]=3 17322 B13R1.669 C/C=C/COc1ccc(c(c1)Cl)F 7a_100000211030_100102629194 [0,3,0,0,0,0|0,0,0]=3 17323 B13R1.669 C/C=C/COc1ccc(c(c1)Cl)I 34a_100000047559_100102629194 [0,3,0,0,0,0|0,0,0]=3 17324 B13R1.669 C/C=C/COc1ccc(c(c1)Cl)I 7a_100000047559_100102629194 [0,3,0,0,0,0|0,0,0]=3 17325 B13R1.669 C/C=C/COc1ccc(c(c1)Cl)N 34a_100011215599_100102629194 [0,3,0,0,0,0|0,0,0]=3 17326 B13R1.669 C/C=C/COc1ccc(c(c1)Cl)N 7a_100011215599_100102629194 [0,3,0,0,0,0|0,0,0]=3 17327 B13R1.669 C/C=C/COc1ccc(c(c1)F)Br 34a_100000755031_100102629194 [0,3,0,0,0,0|0,0,0]=3 17328 B13R1.669 C/C=C/COc1ccc(c(c1)F)Br 7a_100000755031_100102629194 [0,3,0,0,0,0|0,0,0]=3 17329 B13R1.669 C/C=C/COc1ccc(c(c1)F)C 34a_100000722560_100102629194 [0,3,0,0,0,0|0,0,0]=3 17330 B13R1.669 C/C=C/COc1ccc(c(c1)F)C 7a_100000722560_100102629194 [0,3,0,0,0,0|0,0,0]=3 17331 B13R1.669 C/C=C/COc1ccc(c(c1)F)Cl 34a_100000691581_100102629194 [0,3,0,0,0,0|0,0,0]=3 17332 B13R1.669 C/C=C/COc1ccc(c(c1)F)Cl 7a_100000691581_100102629194 [0,3,0,0,0,0|0,0,0]=3 17333 B13R1.669 C/C=C/COc1ccc(c(c1)F)F 34a_100000181275_100102629194 [0,3,0,0,0,0|0,0,0]=3 17334 B13R1.669 C/C=C/COc1ccc(c(c1)F)F 7a_100000181275_100102629194 [0,3,0,0,0,0|0,0,0]=3 17335 B13R1.669 C/C=C/COc1ccc(c(c1)F)I 34a_100009990212_100102629194 [0,3,0,0,0,0|0,0,0]=3 17336 B13R1.669 C/C=C/COc1ccc(c(c1)F)I 7a_100009990212_100102629194 [0,3,0,0,0,0|0,0,0]=3 17337 B13R1.669 C/C=C/COc1ccc(c(c1)F)N 34a_100000759473_100102629194 [0,3,0,0,0,0|0,0,0]=3 17338 B13R1.669 C/C=C/COc1ccc(c(c1)F)N 7a_100000759473_100102629194 [0,3,0,0,0,0|0,0,0]=3 17339 B13R1.669 C/C=C/COc1ccc(c(c1)I)Br 34a_100012339312_100102629194 [0,3,0,0,0,0|0,0,0]=3 17340 B13R1.669 C/C=C/COc1ccc(c(c1)I)Br 7a_100012339312_100102629194 [0,3,0,0,0,0|0,0,0]=3 17341 B13R1.669 C/C=C/COc1ccc(c(c1)I)Cl 34a_100000049588_100102629194 [0,3,0,0,0,0|0,0,0]=3 17342 B13R1.669 C/C=C/COc1ccc(c(c1)I)Cl 7a_100000049588_100102629194 [0,3,0,0,0,0|0,0,0]=3 17343 B13R1.669 C/C=C/COc1ccc(c(c1)I)N 34a_100010084370_100102629194 [0,3,0,0,0,0|0,0,0]=3 17344 B13R1.669 C/C=C/COc1ccc(c(c1)I)N 7a_100010084370_100102629194 [0,3,0,0,0,0|0,0,0]=3 17345 B13R1.669 C/C=C/COc1ccc(c(c1)N)Br 34a_100011999798_100102629194 [0,3,0,0,0,0|0,0,0]=3 17346 B13R1.669 C/C=C/COc1ccc(c(c1)N)Br 7a_100011999798_100102629194 [0,3,0,0,0,0|0,0,0]=3 17347 B13R1.669 C/C=C/COc1ccc(c(c1)N)C 34a_100011216113_100102629194 [0,3,0,0,0,0|0,0,0]=3 17348 B13R1.669 C/C=C/COc1ccc(c(c1)N)C 7a_100011216113_100102629194 [0,3,0,0,0,0|0,0,0]=3 17349 B13R1.669 C/C=C/COc1ccc(c(c1)N)Cl 34a_100011934297_100102629194 [0,3,0,0,0,0|0,0,0]=3 17350 B13R1.669 C/C=C/COc1ccc(c(c1)N)F 34a_100012017239_100102629194 [0,3,0,0,0,0|0,0,0]=3 17351 B13R1.669 C/C=C/COc1ccc(c(c1)N)F 7a_100012017239_100102629194 [0,3,0,0,0,0|0,0,0]=3 17352 B13R1.669 C/C=C/COc1ccc(c(c1)N)N 34a_100025771000_100102629194 [0,3,0,0,0,0|0,0,0]=3 17353 B13R1.669 C/C=C/COc1ccc(c(n1)C)Br 34a_100000691680_100102629194 [0,3,0,0,0,0|1,0,0]=4 17354 B13R1.669 C/C=C/COc1ccc(c(n1)C)Cl 34a_200009863735_100102629194 [0,3,0,0,0,0|1,0,0]=4 17355 B13R1.669 C/C=C/COc1ccc(c(n1)F)Br 34a_100009879308_100102629194 [0,3,0,0,0,0|1,0,0]=4 17356 B13R1.669 C/C=C/COc1cnc(c(c1)Br)C 34a_100009819603_100102629194 [0,3,0,0,0,0|1,0,0]=4 17357 B13R1.669 C/C=C/COc1cnc(c(c1)Br)C 7a_100009819603_100102629194 [0,3,0,0,0,0|1,0,0]=4 17358 B13R1.669 C/C=C/COc1cnc(c(c1)Br)Cl 34a_100012356455_100102629194 [0,3,0,0,0,0|1,0,0]=4 17359 B13R1.669 C/C=C/COc1cnc(c(c1)Br)Cl 7a_100012356455_100102629194 [0,3,0,0,0,0|1,0,0]=4 17360 B13R1.669 C/C=C/COc1cnc(c(c1)Br)F 34a_100009817267_100102629194 [0,3,0,0,0,0|1,0,0]=4 17361 B13R1.669 C/C=C/COc1cnc(c(c1)Br)F 7a_100009817267_100102629194 [0,3,0,0,0,0|1,0,0]=4 17362 B13R1.669 C/C=C/COc1cnc(c(c1)C)Br 34a_100012000486_100102629194 [0,3,0,0,0,0|1,0,0]=4 17363 B13R1.669 C/C=C/COc1cnc(c(c1)C)Br 7a_100012000486_100102629194 [0,3,0,0,0,0|1,0,0]=4 17364 B13R1.669 C/C=C/COc1cnc(c(c1)C)C 34a_100009854398_100102629194 [0,3,0,0,0,0|1,0,0]=4 17365 B13R1.669 C/C=C/COc1cnc(c(c1)C)C 7a_100009854398_100102629194 [0,3,0,0,0,0|1,0,0]=4 17366 B13R1.669 C/C=C/COc1cnc(c(c1)C)Cl 34a_100012002680_100102629194 [0,3,0,0,0,0|1,0,0]=4 17367 B13R1.669 C/C=C/COc1cnc(c(c1)C)Cl 7a_100012002680_100102629194 [0,3,0,0,0,0|1,0,0]=4 17368 B13R1.669 C/C=C/COc1cnc(c(c1)C)F 34a_100000094615_100102629194 [0,3,0,0,0,0|1,0,0]=4 17369 B13R1.669 C/C=C/COc1cnc(c(c1)C)F 7a_100000094615_100102629194 [0,3,0,0,0,0|1,0,0]=4 17370 B13R1.669 C/C=C/COc1cnc(c(c1)Cl)Br 34a_100010209684_100102629194 [0,3,0,0,0,0|1,0,0]=4 17371 B13R1.669 C/C=C/COc1cnc(c(c1)Cl)Br 7a_100010209684_100102629194 [0,3,0,0,0,0|1,0,0]=4 17372 B13R1.669 C/C=C/COc1cnc(c(c1)Cl)Cl 34a_100000094354_100102629194 [0,3,0,0,0,0|1,0,0]=4 17373 B13R1.669 C/C=C/COc1cnc(c(c1)Cl)Cl 7a_100000094354_100102629194 [0,3,0,0,0,0|1,0,0]=4 17374 B13R1.669 C/C=C/COc1cnc(c(c1)Cl)F 34a_100000087088_100102629194 [0,3,0,0,0,0|1,0,0]=4 17375 B13R1.669 C/C=C/COc1cnc(c(c1)Cl)F 7a_100000087088_100102629194 [0,3,0,0,0,0|1,0,0]=4 17376 B13R1.669 C/C=C/COc1cnc(c(c1)F)Cl 34a_100000063512_100102629194 [0,3,0,0,0,0|1,0,0]=4 17377 B13R1.669 C/C=C/COc1cnc(c(c1)F)Cl 7a_100000063512_100102629194 [0,3,0,0,0,0|1,0,0]=4 17378 B13R1.669 C/C=C/CSc1ccc(c(c1)Br)Br 62a_100012356285_100102629194 [0,3,0,0,0,0|0,1,0]=4 17379 B13R1.669 C/C=C/CSc1ccc(c(c1)Br)Br 62a_100102629194_100012356285 [0,3,0,0,0,0|0,1,0]=4 17380 B13R1.669 C/C=C/CSc1ccc(c(c1)Br)C 62a_100011847877_100102629194 [0,3,0,0,0,0|0,1,0]=4 17381 B13R1.669 C/C=C/CSc1ccc(c(c1)Br)C 62a_100102629194_100011847877 [0,3,0,0,0,0|0,1,0]=4 17382 B13R1.669 C/C=C/CSc1ccc(c(c1)Br)Cl 62a_100012353702_100102629194 [0,3,0,0,0,0|0,1,0]=4 17383 B13R1.669 C/C=C/CSc1ccc(c(c1)Br)Cl 62a_100102629194_100012353702 [0,3,0,0,0,0|0,1,0]=4 17384 B13R1.669 C/C=C/CSc1ccc(c(c1)Br)F 62a_100012047266_100102629194 [0,3,0,0,0,0|0,1,0]=4 17385 B13R1.669 C/C=C/CSc1ccc(c(c1)Br)F 62a_100102629194_100012047266 [0,3,0,0,0,0|0,1,0]=4 17386 B13R1.669 C/C=C/CSc1ccc(c(c1)Br)N 62a_100000750455_100102629194 [0,3,0,0,0,0|0,1,0]=4 17387 B13R1.669 C/C=C/CSc1ccc(c(c1)Br)N 62a_100102629194_100000750455 [0,3,0,0,0,0|0,1,0]=4 17388 B13R1.669 C/C=C/CSc1ccc(c(c1)Br)O 62a_100012361655_100102629194 [0,3,0,0,0,0|0,1,0]=4 17389 B13R1.669 C/C=C/CSc1ccc(c(c1)Br)O 62a_100102629194_100012361655 [0,3,0,0,0,0|0,1,0]=4 17390 B13R1.669 C/C=C/CSc1ccc(c(c1)C)Br 62a_100009813585_100102629194 [0,3,0,0,0,0|0,1,0]=4 17391 B13R1.669 C/C=C/CSc1ccc(c(c1)C)Br 62a_100102629194_100009813585 [0,3,0,0,0,0|0,1,0]=4 17392 B13R1.669 C/C=C/CSc1ccc(c(c1)C)C 62a_100011215607_100102629194 [0,3,0,0,0,0|0,1,0]=4 17393 B13R1.669 C/C=C/CSc1ccc(c(c1)C)C 62a_100102629194_100011215607 [0,3,0,0,0,0|0,1,0]=4 17394 B13R1.669 C/C=C/CSc1ccc(c(c1)C)Cl 62a_100000049509_100102629194 [0,3,0,0,0,0|0,1,0]=4 17395 B13R1.669 C/C=C/CSc1ccc(c(c1)C)Cl 62a_100102629194_100000049509 [0,3,0,0,0,0|0,1,0]=4 17396 B13R1.669 C/C=C/CSc1ccc(c(c1)C)F 62a_100011218330_100102629194 [0,3,0,0,0,0|0,1,0]=4 17397 B13R1.669 C/C=C/CSc1ccc(c(c1)C)F 62a_100102629194_100011218330 [0,3,0,0,0,0|0,1,0]=4 17398 B13R1.669 C/C=C/CSc1ccc(c(c1)C)N 62a_100000211769_100102629194 [0,3,0,0,0,0|0,1,0]=4 17399 B13R1.669 C/C=C/CSc1ccc(c(c1)C)N 62a_100102629194_100000211769 [0,3,0,0,0,0|0,1,0]=4 17400 B13R1.669 C/C=C/CSc1ccc(c(c1)C)O 62a_100102629194_100000186361 [0,3,0,0,0,0|0,1,0]=4 17401 B13R1.669 C/C=C/CSc1ccc(c(c1)Cl)Br 62a_100012047281_100102629194 [0,3,0,0,0,0|0,1,0]=4 17402 B13R1.669 C/C=C/CSc1ccc(c(c1)Cl)Br 62a_100102629194_100012047281 [0,3,0,0,0,0|0,1,0]=4 17403 B13R1.669 C/C=C/CSc1ccc(c(c1)Cl)C 62a_100011216363_100102629194 [0,3,0,0,0,0|0,1,0]=4 17404 B13R1.669 C/C=C/CSc1ccc(c(c1)Cl)C 62a_100102629194_100011216363 [0,3,0,0,0,0|0,1,0]=4 17405 B13R1.669 C/C=C/CSc1ccc(c(c1)Cl)Cl 62a_100011214914_100102629194 [0,3,0,0,0,0|0,1,0]=4 17406 B13R1.669 C/C=C/CSc1ccc(c(c1)Cl)Cl 62a_100102629194_100011214914 [0,3,0,0,0,0|0,1,0]=4 17407 B13R1.669 C/C=C/CSc1ccc(c(c1)Cl)F 62a_100011215976_100102629194 [0,3,0,0,0,0|0,1,0]=4 17408 B13R1.669 C/C=C/CSc1ccc(c(c1)Cl)F 62a_100102629194_100011215976 [0,3,0,0,0,0|0,1,0]=4 17409 B13R1.669 C/C=C/CSc1ccc(c(c1)Cl)N 62a_100011218065_100102629194 [0,3,0,0,0,0|0,1,0]=4 17410 B13R1.669 C/C=C/CSc1ccc(c(c1)Cl)N 62a_100102629194_100011218065 [0,3,0,0,0,0|0,1,0]=4 17411 B13R1.669 C/C=C/CSc1ccc(c(c1)Cl)O 62a_100012360047_100102629194 [0,3,0,0,0,0|0,1,0]=4 17412 B13R1.669 C/C=C/CSc1ccc(c(c1)Cl)O 62a_100102629194_100012360047 [0,3,0,0,0,0|0,1,0]=4 17413 B13R1.669 C/C=C/CSc1ccc(c(c1)F)Br 62a_100000685389_100102629194 [0,3,0,0,0,0|0,1,0]=4 17414 B13R1.669 C/C=C/CSc1ccc(c(c1)F)Br 62a_100102629194_100000685389 [0,3,0,0,0,0|0,1,0]=4 17415 B13R1.669 C/C=C/CSc1ccc(c(c1)F)C 62a_100000720648_100102629194 [0,3,0,0,0,0|0,1,0]=4 17416 B13R1.669 C/C=C/CSc1ccc(c(c1)F)C 62a_100102629194_100000720648 [0,3,0,0,0,0|0,1,0]=4 17417 B13R1.669 C/C=C/CSc1ccc(c(c1)F)Cl 62a_100011216805_100102629194 [0,3,0,0,0,0|0,1,0]=4 17418 B13R1.669 C/C=C/CSc1ccc(c(c1)F)Cl 62a_100102629194_100011216805 [0,3,0,0,0,0|0,1,0]=4 17419 B13R1.669 C/C=C/CSc1ccc(c(c1)F)F 62a_100000703953_100102629194 [0,3,0,0,0,0|0,1,0]=4 17420 B13R1.669 C/C=C/CSc1ccc(c(c1)F)F 62a_100102629194_100000703953 [0,3,0,0,0,0|0,1,0]=4 17421 B13R1.669 C/C=C/CSc1ccc(c(c1)F)N 62a_100011215594_100102629194 [0,3,0,0,0,0|0,1,0]=4 17422 B13R1.669 C/C=C/CSc1ccc(c(c1)F)N 62a_100102629194_100011215594 [0,3,0,0,0,0|0,1,0]=4 17423 B13R1.669 C/C=C/CSc1ccc(c(c1)F)O 62a_100000185481_100102629194 [0,3,0,0,0,0|0,1,0]=4 17424 B13R1.669 C/C=C/CSc1ccc(c(c1)F)O 62a_100102629194_100000185481 [0,3,0,0,0,0|0,1,0]=4 17425 B13R1.669 C/C=C/CSc1ccc(c(c1)N)Br 62a_100000750456_100102629194 [0,3,0,0,0,0|0,1,0]=4 17426 B13R1.669 C/C=C/CSc1ccc(c(c1)N)Br 62a_100102629194_100000750456 [0,3,0,0,0,0|0,1,0]=4 17427 B13R1.669 C/C=C/CSc1ccc(c(c1)N)C 62a_100000761890_100102629194 [0,3,0,0,0,0|0,1,0]=4 17428 B13R1.669 C/C=C/CSc1ccc(c(c1)N)C 62a_100102629194_100000761890 [0,3,0,0,0,0|0,1,0]=4 17429 B13R1.669 C/C=C/CSc1ccc(c(c1)N)Cl 62a_100102629194_200000761891 [0,3,0,0,0,0|0,1,0]=4 17430 B13R1.669 C/C=C/CSc1ccc(c(c1)N)Cl 62a_200000761891_100102629194 [0,3,0,0,0,0|0,1,0]=4 17431 B13R1.669 C/C=C/CSc1ccc(c(c1)N)F 62a_100000740924_100102629194 [0,3,0,0,0,0|0,1,0]=4 17432 B13R1.669 C/C=C/CSc1ccc(c(c1)N)F 62a_100102629194_100000740924 [0,3,0,0,0,0|0,1,0]=4 17433 B13R1.669 C/C=C/CSc1ccc(c(c1)N)N 62a_100000741789_100102629194 [0,3,0,0,0,0|0,1,0]=4 17434 B13R1.669 C/C=C/CSc1ccc(c(c1)N)N 62a_100102629194_100011534411 [0,3,0,0,0,0|0,1,0]=4 17435 B13R1.669 C/C=C/CSc1ccc(c(c1)N)O 62a_100000752626_100102629194 [0,3,0,0,0,0|0,1,0]=4 17436 B13R1.669 C/C=C/CSc1ccc(c(c1)N)O 62a_100102629194_100000752626 [0,3,0,0,0,0|0,1,0]=4 17437 B13R1.669 C/C=C/CSc1ccc(c(c1)O)Br 62a_100012356990_100102629194 [0,3,0,0,0,0|0,1,0]=4 17438 B13R1.669 C/C=C/CSc1ccc(c(c1)O)Br 62a_100102629194_100012356990 [0,3,0,0,0,0|0,1,0]=4 17439 B13R1.669 C/C=C/CSc1ccc(c(c1)O)C 62a_100000685420_100102629194 [0,3,0,0,0,0|0,1,0]=4 17440 B13R1.669 C/C=C/CSc1ccc(c(c1)O)C 62a_100102629194_100000685420 [0,3,0,0,0,0|0,1,0]=4 17441 B13R1.669 C/C=C/CSc1ccc(c(c1)O)Cl 62a_100011356854_100102629194 [0,3,0,0,0,0|0,1,0]=4 17442 B13R1.669 C/C=C/CSc1ccc(c(c1)O)Cl 62a_100102629194_100011356854 [0,3,0,0,0,0|0,1,0]=4 17443 B13R1.669 C/C=C/CSc1ccc(c(c1)O)F 62a_100000686035_100102629194 [0,3,0,0,0,0|0,1,0]=4 17444 B13R1.669 C/C=C/CSc1ccc(c(c1)O)F 62a_100102629194_100000686035 [0,3,0,0,0,0|0,1,0]=4 17445 B13R1.669 C/C=C/CSc1ccc(c(c1)O)N 62a_100000739049_100102629194 [0,3,0,0,0,0|0,1,0]=4 17446 B13R1.669 C/C=C/CSc1ccc(c(c1)O)N 62a_100102629194_100000739049 [0,3,0,0,0,0|0,1,0]=4 17447 B13R1.669 C/C=C/CSc1ccc(c(c1)O)O 62a_100102629194_100009813601 [0,3,0,0,0,0|0,1,0]=4 17448 B13R1.669 C=CCCNc1ccc(c(c1)Br)Br 2230a_100011306057_100000754431 [0,3,0,0,0,0|1,0,0]=4 17449 B13R1.669 C=CCCNc1ccc(c(c1)Br)Br 34a_100011306057_100000754431 [0,3,0,0,0,0|1,0,0]=4 17450 B13R1.669 C=CCCNc1ccc(c(c1)Br)Br 7a_100011306057_100000754431 [0,3,0,0,0,0|1,0,0]=4 17451 B13R1.669 C=CCCNc1ccc(c(c1)Br)C 2230a_100000736455_100000754431 [0,3,0,0,0,0|1,0,0]=4 17452 B13R1.669 C=CCCNc1ccc(c(c1)Br)C 34a_100000736455_100000754431 [0,3,0,0,0,0|1,0,0]=4 17453 B13R1.669 C=CCCNc1ccc(c(c1)Br)C 7a_100000736455_100000754431 [0,3,0,0,0,0|1,0,0]=4 17454 B13R1.669 C=CCCNc1ccc(c(c1)Br)Cl 2230a_100000686031_100000754431 [0,3,0,0,0,0|1,0,0]=4 17455 B13R1.669 C=CCCNc1ccc(c(c1)Br)Cl 34a_100000686031_100000754431 [0,3,0,0,0,0|1,0,0]=4 17456 B13R1.669 C=CCCNc1ccc(c(c1)Br)F 2230a_100000760356_100000754431 [0,3,0,0,0,0|1,0,0]=4 17457 B13R1.669 C=CCCNc1ccc(c(c1)Br)F 34a_100000760356_100000754431 [0,3,0,0,0,0|1,0,0]=4 17458 B13R1.669 C=CCCNc1ccc(c(c1)Br)F 7a_100000760356_100000754431 [0,3,0,0,0,0|1,0,0]=4 17459 B13R1.669 C=CCCNc1ccc(c(c1)Br)I 34a_100000750458_100000754431 [0,3,0,0,0,0|1,0,0]=4 17460 B13R1.669 C=CCCNc1ccc(c(c1)Br)O 34a_100011534360_100000754431 [0,3,0,0,0,0|1,0,0]=4 17461 B13R1.669 C=CCCNc1ccc(c(c1)C)Br 2230a_100000210723_100000754431 [0,3,0,0,0,0|1,0,0]=4 17462 B13R1.669 C=CCCNc1ccc(c(c1)C)Br 34a_100000210723_100000754431 [0,3,0,0,0,0|1,0,0]=4 17463 B13R1.669 C=CCCNc1ccc(c(c1)C)Br 7a_100000210723_100000754431 [0,3,0,0,0,0|1,0,0]=4 17464 B13R1.669 C=CCCNc1ccc(c(c1)C)C 2230a_100000724040_100000754431 [0,3,0,0,0,0|1,0,0]=4 17465 B13R1.669 C=CCCNc1ccc(c(c1)C)C 34a_100000724040_100000754431 [0,3,0,0,0,0|1,0,0]=4 17466 B13R1.669 C=CCCNc1ccc(c(c1)C)C 7a_100000724040_100000754431 [0,3,0,0,0,0|1,0,0]=4 17467 B13R1.669 C=CCCNc1ccc(c(c1)C)Cl 2230a_100000187808_100000754431 [0,3,0,0,0,0|1,0,0]=4 17468 B13R1.669 C=CCCNc1ccc(c(c1)C)Cl 34a_100000187808_100000754431 [0,3,0,0,0,0|1,0,0]=4 17469 B13R1.669 C=CCCNc1ccc(c(c1)C)Cl 7a_100000187808_100000754431 [0,3,0,0,0,0|1,0,0]=4 17470 B13R1.669 C=CCCNc1ccc(c(c1)C)F 2230a_100000750164_100000754431 [0,3,0,0,0,0|1,0,0]=4 17471 B13R1.669 C=CCCNc1ccc(c(c1)C)F 34a_100000750164_100000754431 [0,3,0,0,0,0|1,0,0]=4 17472 B13R1.669 C=CCCNc1ccc(c(c1)C)F 7a_100000750164_100000754431 [0,3,0,0,0,0|1,0,0]=4 17473 B13R1.669 C=CCCNc1ccc(c(c1)C)I 34a_100000198070_100000754431 [0,3,0,0,0,0|1,0,0]=4 17474 B13R1.669 C=CCCNc1ccc(c(c1)C)I 7a_100000198070_100000754431 [0,3,0,0,0,0|1,0,0]=4 17475 B13R1.669 C=CCCNc1ccc(c(c1)C)O 34a_100011218179_100000754431 [0,3,0,0,0,0|1,0,0]=4 17476 B13R1.669 C=CCCNc1ccc(c(c1)C)O 7a_100011218179_100000754431 [0,3,0,0,0,0|1,0,0]=4 17477 B13R1.669 C=CCCNc1ccc(c(c1)Cl)Br 2230a_100000687081_100000754431 [0,3,0,0,0,0|1,0,0]=4 17478 B13R1.669 C=CCCNc1ccc(c(c1)Cl)Br 34a_100000687081_100000754431 [0,3,0,0,0,0|1,0,0]=4 17479 B13R1.669 C=CCCNc1ccc(c(c1)Cl)Br 7a_100000687081_100000754431 [0,3,0,0,0,0|1,0,0]=4 17480 B13R1.669 C=CCCNc1ccc(c(c1)Cl)C 2230a_100000188892_100000754431 [0,3,0,0,0,0|1,0,0]=4 17481 B13R1.669 C=CCCNc1ccc(c(c1)Cl)C 34a_100000188892_100000754431 [0,3,0,0,0,0|1,0,0]=4 17482 B13R1.669 C=CCCNc1ccc(c(c1)Cl)C 7a_100000188892_100000754431 [0,3,0,0,0,0|1,0,0]=4 17483 B13R1.669 C=CCCNc1ccc(c(c1)Cl)Cl 2230a_100000184108_100000754431 [0,3,0,0,0,0|1,0,0]=4 17484 B13R1.669 C=CCCNc1ccc(c(c1)Cl)Cl 34a_100000184108_100000754431 [0,3,0,0,0,0|1,0,0]=4 17485 B13R1.669 C=CCCNc1ccc(c(c1)Cl)F 2230a_100000211060_100000754431 [0,3,0,0,0,0|1,0,0]=4 17486 B13R1.669 C=CCCNc1ccc(c(c1)Cl)F 34a_100000211060_100000754431 [0,3,0,0,0,0|1,0,0]=4 17487 B13R1.669 C=CCCNc1ccc(c(c1)Cl)F 7a_100000211060_100000754431 [0,3,0,0,0,0|1,0,0]=4 17488 B13R1.669 C=CCCNc1ccc(c(c1)Cl)I 34a_100000761885_100000754431 [0,3,0,0,0,0|1,0,0]=4 17489 B13R1.669 C=CCCNc1ccc(c(c1)Cl)O 34a_100000744943_100000754431 [0,3,0,0,0,0|1,0,0]=4 17490 B13R1.669 C=CCCNc1ccc(c(c1)F)Br 2230a_100000759894_100000754431 [0,3,0,0,0,0|1,0,0]=4 17491 B13R1.669 C=CCCNc1ccc(c(c1)F)Br 34a_100000759894_100000754431 [0,3,0,0,0,0|1,0,0]=4 17492 B13R1.669 C=CCCNc1ccc(c(c1)F)Br 7a_100000759894_100000754431 [0,3,0,0,0,0|1,0,0]=4 17493 B13R1.669 C=CCCNc1ccc(c(c1)F)C 2230a_100000210958_100000754431 [0,3,0,0,0,0|1,0,0]=4 17494 B13R1.669 C=CCCNc1ccc(c(c1)F)C 34a_100000210958_100000754431 [0,3,0,0,0,0|1,0,0]=4 17495 B13R1.669 C=CCCNc1ccc(c(c1)F)C 7a_100000210958_100000754431 [0,3,0,0,0,0|1,0,0]=4 17496 B13R1.669 C=CCCNc1ccc(c(c1)F)Cl 2230a_100000739366_100000754431 [0,3,0,0,0,0|1,0,0]=4 17497 B13R1.669 C=CCCNc1ccc(c(c1)F)Cl 34a_100000739366_100000754431 [0,3,0,0,0,0|1,0,0]=4 17498 B13R1.669 C=CCCNc1ccc(c(c1)F)Cl 7a_100000739366_100000754431 [0,3,0,0,0,0|1,0,0]=4 17499 B13R1.669 C=CCCNc1ccc(c(c1)F)F 2230a_100000210724_100000754431 [0,3,0,0,0,0|1,0,0]=4 17500 B13R1.669 C=CCCNc1ccc(c(c1)F)F 34a_100000210724_100000754431 [0,3,0,0,0,0|1,0,0]=4 17501 B13R1.669 C=CCCNc1ccc(c(c1)F)F 7a_100000210724_100000754431 [0,3,0,0,0,0|1,0,0]=4 17502 B13R1.669 C=CCCNc1ccc(c(c1)F)I 34a_100011356925_100000754431 [0,3,0,0,0,0|1,0,0]=4 17503 B13R1.669 C=CCCNc1ccc(c(c1)F)I 7a_100011356925_100000754431 [0,3,0,0,0,0|1,0,0]=4 17504 B13R1.669 C=CCCNc1ccc(c(c1)F)O 34a_100011220035_100000754431 [0,3,0,0,0,0|1,0,0]=4 17505 B13R1.669 C=CCCNc1ccc(c(c1)F)O 7a_100011220035_100000754431 [0,3,0,0,0,0|1,0,0]=4 17506 B13R1.669 C=CCCNc1ccc(c(c1)I)Br 34a_100000750459_100000754431 [0,3,0,0,0,0|1,0,0]=4 17507 B13R1.669 C=CCCNc1ccc(c(c1)I)C 34a_100000184131_100000754431 [0,3,0,0,0,0|1,0,0]=4 17508 B13R1.669 C=CCCNc1ccc(c(c1)I)C 7a_100000184131_100000754431 [0,3,0,0,0,0|1,0,0]=4 17509 B13R1.669 C=CCCNc1ccc(c(c1)I)Cl 34a_100012360549_100000754431 [0,3,0,0,0,0|1,0,0]=4 17510 B13R1.669 C=CCCNc1ccc(c(c1)I)F 34a_114828291077_100000754431 [0,3,0,0,0,0|1,0,0]=4 17511 B13R1.669 C=CCCNc1ccc(c(c1)I)F 7a_114828291077_100000754431 [0,3,0,0,0,0|1,0,0]=4 17512 B13R1.669 C=CCCNc1ccc(c(c1)O)C 34a_100000759471_100000754431 [0,3,0,0,0,0|1,0,0]=4 17513 B13R1.669 C=CCCNc1ccc(c(c1)O)C 7a_100000759471_100000754431 [0,3,0,0,0,0|1,0,0]=4 17514 B13R1.669 C=CCCNc1ccc(c(c1)O)Cl 34a_100011934209_100000754431 [0,3,0,0,0,0|1,0,0]=4 17515 B13R1.669 C=CCCNc1ccc(c(c1)O)F 34a_100012017398_100000754431 [0,3,0,0,0,0|1,0,0]=4 17516 B13R1.669 C=CCCNc1ccc(c(c1)O)F 7a_100012017398_100000754431 [0,3,0,0,0,0|1,0,0]=4 17517 B13R1.669 C=CCCNc1ccc(c(c1)O)O 34a_100102946323_100000754431 [0,3,0,0,0,0|1,0,0]=4 17518 B13R1.669 C=CCCOc1cc(c(cn1)Br)C 34a_100000766222_100000754431 [0,3,0,0,0,0|1,0,0]=4 17519 B13R1.669 C=CCCOc1cc(c(cn1)Br)Cl 34a_100010369989_100000754431 [0,3,0,0,0,0|1,0,0]=4 17520 B13R1.669 C=CCCOc1cc(c(cn1)C)Br 34a_100009831917_100000754431 [0,3,0,0,0,0|1,0,0]=4 17521 B13R1.669 C=CCCOc1cc(c(cn1)Cl)C 34a_200000085746_100000754431 [0,3,0,0,0,0|1,0,0]=4 17522 B13R1.669 C=CCCOc1cc(c(cn1)Cl)Cl 34a_200000099200_100000754431 [0,3,0,0,0,0|1,0,0]=4 17523 B13R1.669 C=CCCOc1ccc(c(c1)Br)C 34a_100011380479_100000754431 [0,3,0,0,0,0|0,0,0]=3 17524 B13R1.669 C=CCCOc1ccc(c(c1)Br)C 7a_100011380479_100000754431 [0,3,0,0,0,0|0,0,0]=3 17525 B13R1.669 C=CCCOc1ccc(c(c1)Br)Cl 34a_100011933957_100000754431 [0,3,0,0,0,0|0,0,0]=3 17526 B13R1.669 C=CCCOc1ccc(c(c1)Br)Cl 7a_100011933957_100000754431 [0,3,0,0,0,0|0,0,0]=3 17527 B13R1.669 C=CCCOc1ccc(c(c1)Br)F 34a_100000693481_100000754431 [0,3,0,0,0,0|0,0,0]=3 17528 B13R1.669 C=CCCOc1ccc(c(c1)Br)F 7a_100000693481_100000754431 [0,3,0,0,0,0|0,0,0]=3 17529 B13R1.669 C=CCCOc1ccc(c(c1)Br)I 34a_100000701344_100000754431 [0,3,0,0,0,0|0,0,0]=3 17530 B13R1.669 C=CCCOc1ccc(c(c1)Br)I 7a_100000701344_100000754431 [0,3,0,0,0,0|0,0,0]=3 17531 B13R1.669 C=CCCOc1ccc(c(c1)Br)N 34a_100012001276_100000754431 [0,3,0,0,0,0|0,0,0]=3 17532 B13R1.669 C=CCCOc1ccc(c(c1)Br)N 7a_100012001276_100000754431 [0,3,0,0,0,0|0,0,0]=3 17533 B13R1.669 C=CCCOc1ccc(c(c1)C)Br 34a_100000690111_100000754431 [0,3,0,0,0,0|0,0,0]=3 17534 B13R1.669 C=CCCOc1ccc(c(c1)C)Br 7a_100000690111_100000754431 [0,3,0,0,0,0|0,0,0]=3 17535 B13R1.669 C=CCCOc1ccc(c(c1)C)C 34a_100000210932_100000754431 [0,3,0,0,0,0|0,0,0]=3 17536 B13R1.669 C=CCCOc1ccc(c(c1)C)C 7a_100000210932_100000754431 [0,3,0,0,0,0|0,0,0]=3 17537 B13R1.669 C=CCCOc1ccc(c(c1)C)Cl 34a_100000211092_100000754431 [0,3,0,0,0,0|0,0,0]=3 17538 B13R1.669 C=CCCOc1ccc(c(c1)C)Cl 7a_100000211092_100000754431 [0,3,0,0,0,0|0,0,0]=3 17539 B13R1.669 C=CCCOc1ccc(c(c1)C)F 34a_100000751312_100000754431 [0,3,0,0,0,0|0,0,0]=3 17540 B13R1.669 C=CCCOc1ccc(c(c1)C)F 7a_100000751312_100000754431 [0,3,0,0,0,0|0,0,0]=3 17541 B13R1.669 C=CCCOc1ccc(c(c1)C)I 34a_100000729255_100000754431 [0,3,0,0,0,0|0,0,0]=3 17542 B13R1.669 C=CCCOc1ccc(c(c1)C)I 7a_100000729255_100000754431 [0,3,0,0,0,0|0,0,0]=3 17543 B13R1.669 C=CCCOc1ccc(c(c1)C)N 34a_100000756630_100000754431 [0,3,0,0,0,0|0,0,0]=3 17544 B13R1.669 C=CCCOc1ccc(c(c1)C)N 7a_100000756630_100000754431 [0,3,0,0,0,0|0,0,0]=3 17545 B13R1.669 C=CCCOc1ccc(c(c1)Cl)Br 34a_100011215161_100000754431 [0,3,0,0,0,0|0,0,0]=3 17546 B13R1.669 C=CCCOc1ccc(c(c1)Cl)Br 7a_100011215161_100000754431 [0,3,0,0,0,0|0,0,0]=3 17547 B13R1.669 C=CCCOc1ccc(c(c1)Cl)C 34a_100011265682_100000754431 [0,3,0,0,0,0|0,0,0]=3 17548 B13R1.669 C=CCCOc1ccc(c(c1)Cl)C 7a_100011265682_100000754431 [0,3,0,0,0,0|0,0,0]=3 17549 B13R1.669 C=CCCOc1ccc(c(c1)Cl)Cl 34a_100000211054_100000754431 [0,3,0,0,0,0|0,0,0]=3 17550 B13R1.669 C=CCCOc1ccc(c(c1)Cl)Cl 7a_100000211054_100000754431 [0,3,0,0,0,0|0,0,0]=3 17551 B13R1.669 C=CCCOc1ccc(c(c1)Cl)F 34a_100000211030_100000754431 [0,3,0,0,0,0|0,0,0]=3 17552 B13R1.669 C=CCCOc1ccc(c(c1)Cl)F 7a_100000211030_100000754431 [0,3,0,0,0,0|0,0,0]=3 17553 B13R1.669 C=CCCOc1ccc(c(c1)Cl)I 34a_100000047559_100000754431 [0,3,0,0,0,0|0,0,0]=3 17554 B13R1.669 C=CCCOc1ccc(c(c1)Cl)I 7a_100000047559_100000754431 [0,3,0,0,0,0|0,0,0]=3 17555 B13R1.669 C=CCCOc1ccc(c(c1)Cl)N 34a_100011215599_100000754431 [0,3,0,0,0,0|0,0,0]=3 17556 B13R1.669 C=CCCOc1ccc(c(c1)Cl)N 7a_100011215599_100000754431 [0,3,0,0,0,0|0,0,0]=3 17557 B13R1.669 C=CCCOc1ccc(c(c1)F)Br 34a_100000755031_100000754431 [0,3,0,0,0,0|0,0,0]=3 17558 B13R1.669 C=CCCOc1ccc(c(c1)F)Br 7a_100000755031_100000754431 [0,3,0,0,0,0|0,0,0]=3 17559 B13R1.669 C=CCCOc1ccc(c(c1)F)C 34a_100000722560_100000754431 [0,3,0,0,0,0|0,0,0]=3 17560 B13R1.669 C=CCCOc1ccc(c(c1)F)C 7a_100000722560_100000754431 [0,3,0,0,0,0|0,0,0]=3 17561 B13R1.669 C=CCCOc1ccc(c(c1)F)Cl 34a_100000691581_100000754431 [0,3,0,0,0,0|0,0,0]=3 17562 B13R1.669 C=CCCOc1ccc(c(c1)F)Cl 7a_100000691581_100000754431 [0,3,0,0,0,0|0,0,0]=3 17563 B13R1.669 C=CCCOc1ccc(c(c1)F)F 34a_100000181275_100000754431 [0,3,0,0,0,0|0,0,0]=3 17564 B13R1.669 C=CCCOc1ccc(c(c1)F)F 7a_100000181275_100000754431 [0,3,0,0,0,0|0,0,0]=3 17565 B13R1.669 C=CCCOc1ccc(c(c1)F)I 34a_100009990212_100000754431 [0,3,0,0,0,0|0,0,0]=3 17566 B13R1.669 C=CCCOc1ccc(c(c1)F)I 7a_100009990212_100000754431 [0,3,0,0,0,0|0,0,0]=3 17567 B13R1.669 C=CCCOc1ccc(c(c1)F)N 34a_100000759473_100000754431 [0,3,0,0,0,0|0,0,0]=3 17568 B13R1.669 C=CCCOc1ccc(c(c1)F)N 7a_100000759473_100000754431 [0,3,0,0,0,0|0,0,0]=3 17569 B13R1.669 C=CCCOc1ccc(c(c1)I)Br 34a_100012339312_100000754431 [0,3,0,0,0,0|0,0,0]=3 17570 B13R1.669 C=CCCOc1ccc(c(c1)I)Br 7a_100012339312_100000754431 [0,3,0,0,0,0|0,0,0]=3 17571 B13R1.669 C=CCCOc1ccc(c(c1)I)Cl 34a_100000049588_100000754431 [0,3,0,0,0,0|0,0,0]=3 17572 B13R1.669 C=CCCOc1ccc(c(c1)I)Cl 7a_100000049588_100000754431 [0,3,0,0,0,0|0,0,0]=3 17573 B13R1.669 C=CCCOc1ccc(c(c1)I)N 34a_100010084370_100000754431 [0,3,0,0,0,0|0,0,0]=3 17574 B13R1.669 C=CCCOc1ccc(c(c1)I)N 7a_100010084370_100000754431 [0,3,0,0,0,0|0,0,0]=3 17575 B13R1.669 C=CCCOc1ccc(c(c1)N)Br 34a_100011999798_100000754431 [0,3,0,0,0,0|0,0,0]=3 17576 B13R1.669 C=CCCOc1ccc(c(c1)N)Br 7a_100011999798_100000754431 [0,3,0,0,0,0|0,0,0]=3 17577 B13R1.669 C=CCCOc1ccc(c(c1)N)C 34a_100011216113_100000754431 [0,3,0,0,0,0|0,0,0]=3 17578 B13R1.669 C=CCCOc1ccc(c(c1)N)C 7a_100011216113_100000754431 [0,3,0,0,0,0|0,0,0]=3 17579 B13R1.669 C=CCCOc1ccc(c(c1)N)Cl 34a_100011934297_100000754431 [0,3,0,0,0,0|0,0,0]=3 17580 B13R1.669 C=CCCOc1ccc(c(c1)N)F 34a_100012017239_100000754431 [0,3,0,0,0,0|0,0,0]=3 17581 B13R1.669 C=CCCOc1ccc(c(c1)N)F 7a_100012017239_100000754431 [0,3,0,0,0,0|0,0,0]=3 17582 B13R1.669 C=CCCOc1ccc(c(c1)N)N 34a_100025771000_100000754431 [0,3,0,0,0,0|0,0,0]=3 17583 B13R1.669 C=CCCOc1ccc(c(n1)C)Br 34a_100000691680_100000754431 [0,3,0,0,0,0|1,0,0]=4 17584 B13R1.669 C=CCCOc1ccc(c(n1)C)Cl 34a_200009863735_100000754431 [0,3,0,0,0,0|1,0,0]=4 17585 B13R1.669 C=CCCOc1ccc(c(n1)F)Br 34a_100009879308_100000754431 [0,3,0,0,0,0|1,0,0]=4 17586 B13R1.669 C=CCCOc1cnc(c(c1)Br)C 34a_100009819603_100000754431 [0,3,0,0,0,0|1,0,0]=4 17587 B13R1.669 C=CCCOc1cnc(c(c1)Br)C 7a_100009819603_100000754431 [0,3,0,0,0,0|1,0,0]=4 17588 B13R1.669 C=CCCOc1cnc(c(c1)Br)Cl 34a_100012356455_100000754431 [0,3,0,0,0,0|1,0,0]=4 17589 B13R1.669 C=CCCOc1cnc(c(c1)Br)Cl 7a_100012356455_100000754431 [0,3,0,0,0,0|1,0,0]=4 17590 B13R1.669 C=CCCOc1cnc(c(c1)Br)F 34a_100009817267_100000754431 [0,3,0,0,0,0|1,0,0]=4 17591 B13R1.669 C=CCCOc1cnc(c(c1)Br)F 7a_100009817267_100000754431 [0,3,0,0,0,0|1,0,0]=4 17592 B13R1.669 C=CCCOc1cnc(c(c1)C)Br 34a_100012000486_100000754431 [0,3,0,0,0,0|1,0,0]=4 17593 B13R1.669 C=CCCOc1cnc(c(c1)C)Br 7a_100012000486_100000754431 [0,3,0,0,0,0|1,0,0]=4 17594 B13R1.669 C=CCCOc1cnc(c(c1)C)C 34a_100009854398_100000754431 [0,3,0,0,0,0|1,0,0]=4 17595 B13R1.669 C=CCCOc1cnc(c(c1)C)C 7a_100009854398_100000754431 [0,3,0,0,0,0|1,0,0]=4 17596 B13R1.669 C=CCCOc1cnc(c(c1)C)Cl 34a_100012002680_100000754431 [0,3,0,0,0,0|1,0,0]=4 17597 B13R1.669 C=CCCOc1cnc(c(c1)C)Cl 7a_100012002680_100000754431 [0,3,0,0,0,0|1,0,0]=4 17598 B13R1.669 C=CCCOc1cnc(c(c1)C)F 34a_100000094615_100000754431 [0,3,0,0,0,0|1,0,0]=4 17599 B13R1.669 C=CCCOc1cnc(c(c1)C)F 7a_100000094615_100000754431 [0,3,0,0,0,0|1,0,0]=4 17600 B13R1.669 C=CCCOc1cnc(c(c1)Cl)Br 34a_100010209684_100000754431 [0,3,0,0,0,0|1,0,0]=4 17601 B13R1.669 C=CCCOc1cnc(c(c1)Cl)Br 7a_100010209684_100000754431 [0,3,0,0,0,0|1,0,0]=4 17602 B13R1.669 C=CCCOc1cnc(c(c1)Cl)Cl 34a_100000094354_100000754431 [0,3,0,0,0,0|1,0,0]=4 17603 B13R1.669 C=CCCOc1cnc(c(c1)Cl)Cl 7a_100000094354_100000754431 [0,3,0,0,0,0|1,0,0]=4 17604 B13R1.669 C=CCCOc1cnc(c(c1)Cl)F 34a_100000087088_100000754431 [0,3,0,0,0,0|1,0,0]=4 17605 B13R1.669 C=CCCOc1cnc(c(c1)Cl)F 7a_100000087088_100000754431 [0,3,0,0,0,0|1,0,0]=4 17606 B13R1.669 C=CCCOc1cnc(c(c1)F)Cl 34a_100000063512_100000754431 [0,3,0,0,0,0|1,0,0]=4 17607 B13R1.669 C=CCCOc1cnc(c(c1)F)Cl 7a_100000063512_100000754431 [0,3,0,0,0,0|1,0,0]=4 17608 B13R1.669 C=CCCSc1ccc(c(c1)Br)Br 62a_100000754431_100012356285 [0,3,0,0,0,0|0,1,0]=4 17609 B13R1.669 C=CCCSc1ccc(c(c1)Br)Br 62a_100012356285_100000754431 [0,3,0,0,0,0|0,1,0]=4 17610 B13R1.669 C=CCCSc1ccc(c(c1)Br)C 62a_100000754431_100011847877 [0,3,0,0,0,0|0,1,0]=4 17611 B13R1.669 C=CCCSc1ccc(c(c1)Br)C 62a_100011847877_100000754431 [0,3,0,0,0,0|0,1,0]=4 17612 B13R1.669 C=CCCSc1ccc(c(c1)Br)Cl 62a_100000754431_100012353702 [0,3,0,0,0,0|0,1,0]=4 17613 B13R1.669 C=CCCSc1ccc(c(c1)Br)Cl 62a_100012353702_100000754431 [0,3,0,0,0,0|0,1,0]=4 17614 B13R1.669 C=CCCSc1ccc(c(c1)Br)F 62a_100000754431_100012047266 [0,3,0,0,0,0|0,1,0]=4 17615 B13R1.669 C=CCCSc1ccc(c(c1)Br)F 62a_100012047266_100000754431 [0,3,0,0,0,0|0,1,0]=4 17616 B13R1.669 C=CCCSc1ccc(c(c1)Br)N 62a_100000750455_100000754431 [0,3,0,0,0,0|0,1,0]=4 17617 B13R1.669 C=CCCSc1ccc(c(c1)Br)N 62a_100000754431_100000750455 [0,3,0,0,0,0|0,1,0]=4 17618 B13R1.669 C=CCCSc1ccc(c(c1)Br)O 62a_100000754431_100012361655 [0,3,0,0,0,0|0,1,0]=4 17619 B13R1.669 C=CCCSc1ccc(c(c1)Br)O 62a_100012361655_100000754431 [0,3,0,0,0,0|0,1,0]=4 17620 B13R1.669 C=CCCSc1ccc(c(c1)C)Br 62a_100000754431_100009813585 [0,3,0,0,0,0|0,1,0]=4 17621 B13R1.669 C=CCCSc1ccc(c(c1)C)Br 62a_100009813585_100000754431 [0,3,0,0,0,0|0,1,0]=4 17622 B13R1.669 C=CCCSc1ccc(c(c1)C)C 62a_100000754431_100011215607 [0,3,0,0,0,0|0,1,0]=4 17623 B13R1.669 C=CCCSc1ccc(c(c1)C)C 62a_100011215607_100000754431 [0,3,0,0,0,0|0,1,0]=4 17624 B13R1.669 C=CCCSc1ccc(c(c1)C)Cl 62a_100000049509_100000754431 [0,3,0,0,0,0|0,1,0]=4 17625 B13R1.669 C=CCCSc1ccc(c(c1)C)Cl 62a_100000754431_100000049509 [0,3,0,0,0,0|0,1,0]=4 17626 B13R1.669 C=CCCSc1ccc(c(c1)C)F 62a_100000754431_100011218330 [0,3,0,0,0,0|0,1,0]=4 17627 B13R1.669 C=CCCSc1ccc(c(c1)C)F 62a_100011218330_100000754431 [0,3,0,0,0,0|0,1,0]=4 17628 B13R1.669 C=CCCSc1ccc(c(c1)C)N 62a_100000211769_100000754431 [0,3,0,0,0,0|0,1,0]=4 17629 B13R1.669 C=CCCSc1ccc(c(c1)C)N 62a_100000754431_100000211769 [0,3,0,0,0,0|0,1,0]=4 17630 B13R1.669 C=CCCSc1ccc(c(c1)C)O 62a_100000754431_100000186361 [0,3,0,0,0,0|0,1,0]=4 17631 B13R1.669 C=CCCSc1ccc(c(c1)Cl)Br 62a_100000754431_100012047281 [0,3,0,0,0,0|0,1,0]=4 17632 B13R1.669 C=CCCSc1ccc(c(c1)Cl)Br 62a_100012047281_100000754431 [0,3,0,0,0,0|0,1,0]=4 17633 B13R1.669 C=CCCSc1ccc(c(c1)Cl)C 62a_100000754431_100011216363 [0,3,0,0,0,0|0,1,0]=4 17634 B13R1.669 C=CCCSc1ccc(c(c1)Cl)C 62a_100011216363_100000754431 [0,3,0,0,0,0|0,1,0]=4 17635 B13R1.669 C=CCCSc1ccc(c(c1)Cl)Cl 62a_100000754431_100011214914 [0,3,0,0,0,0|0,1,0]=4 17636 B13R1.669 C=CCCSc1ccc(c(c1)Cl)Cl 62a_100011214914_100000754431 [0,3,0,0,0,0|0,1,0]=4 17637 B13R1.669 C=CCCSc1ccc(c(c1)Cl)F 62a_100000754431_100011215976 [0,3,0,0,0,0|0,1,0]=4 17638 B13R1.669 C=CCCSc1ccc(c(c1)Cl)F 62a_100011215976_100000754431 [0,3,0,0,0,0|0,1,0]=4 17639 B13R1.669 C=CCCSc1ccc(c(c1)Cl)N 62a_100000754431_100011218065 [0,3,0,0,0,0|0,1,0]=4 17640 B13R1.669 C=CCCSc1ccc(c(c1)Cl)N 62a_100011218065_100000754431 [0,3,0,0,0,0|0,1,0]=4 17641 B13R1.669 C=CCCSc1ccc(c(c1)Cl)O 62a_100000754431_100012360047 [0,3,0,0,0,0|0,1,0]=4 17642 B13R1.669 C=CCCSc1ccc(c(c1)Cl)O 62a_100012360047_100000754431 [0,3,0,0,0,0|0,1,0]=4 17643 B13R1.669 C=CCCSc1ccc(c(c1)F)Br 62a_100000685389_100000754431 [0,3,0,0,0,0|0,1,0]=4 17644 B13R1.669 C=CCCSc1ccc(c(c1)F)Br 62a_100000754431_100000685389 [0,3,0,0,0,0|0,1,0]=4 17645 B13R1.669 C=CCCSc1ccc(c(c1)F)C 62a_100000720648_100000754431 [0,3,0,0,0,0|0,1,0]=4 17646 B13R1.669 C=CCCSc1ccc(c(c1)F)C 62a_100000754431_100000720648 [0,3,0,0,0,0|0,1,0]=4 17647 B13R1.669 C=CCCSc1ccc(c(c1)F)Cl 62a_100000754431_100011216805 [0,3,0,0,0,0|0,1,0]=4 17648 B13R1.669 C=CCCSc1ccc(c(c1)F)Cl 62a_100011216805_100000754431 [0,3,0,0,0,0|0,1,0]=4 17649 B13R1.669 C=CCCSc1ccc(c(c1)F)F 62a_100000703953_100000754431 [0,3,0,0,0,0|0,1,0]=4 17650 B13R1.669 C=CCCSc1ccc(c(c1)F)F 62a_100000754431_100000703953 [0,3,0,0,0,0|0,1,0]=4 17651 B13R1.669 C=CCCSc1ccc(c(c1)F)N 62a_100000754431_100011215594 [0,3,0,0,0,0|0,1,0]=4 17652 B13R1.669 C=CCCSc1ccc(c(c1)F)N 62a_100011215594_100000754431 [0,3,0,0,0,0|0,1,0]=4 17653 B13R1.669 C=CCCSc1ccc(c(c1)F)O 62a_100000185481_100000754431 [0,3,0,0,0,0|0,1,0]=4 17654 B13R1.669 C=CCCSc1ccc(c(c1)F)O 62a_100000754431_100000185481 [0,3,0,0,0,0|0,1,0]=4 17655 B13R1.669 C=CCCSc1ccc(c(c1)N)Br 62a_100000750456_100000754431 [0,3,0,0,0,0|0,1,0]=4 17656 B13R1.669 C=CCCSc1ccc(c(c1)N)Br 62a_100000754431_100000750456 [0,3,0,0,0,0|0,1,0]=4 17657 B13R1.669 C=CCCSc1ccc(c(c1)N)C 62a_100000754431_100000761890 [0,3,0,0,0,0|0,1,0]=4 17658 B13R1.669 C=CCCSc1ccc(c(c1)N)C 62a_100000761890_100000754431 [0,3,0,0,0,0|0,1,0]=4 17659 B13R1.669 C=CCCSc1ccc(c(c1)N)Cl 62a_100000754431_200000761891 [0,3,0,0,0,0|0,1,0]=4 17660 B13R1.669 C=CCCSc1ccc(c(c1)N)Cl 62a_200000761891_100000754431 [0,3,0,0,0,0|0,1,0]=4 17661 B13R1.669 C=CCCSc1ccc(c(c1)N)F 62a_100000740924_100000754431 [0,3,0,0,0,0|0,1,0]=4 17662 B13R1.669 C=CCCSc1ccc(c(c1)N)F 62a_100000754431_100000740924 [0,3,0,0,0,0|0,1,0]=4 17663 B13R1.669 C=CCCSc1ccc(c(c1)N)N 62a_100000741789_100000754431 [0,3,0,0,0,0|0,1,0]=4 17664 B13R1.669 C=CCCSc1ccc(c(c1)N)N 62a_100000754431_100011534411 [0,3,0,0,0,0|0,1,0]=4 17665 B13R1.669 C=CCCSc1ccc(c(c1)N)O 62a_100000752626_100000754431 [0,3,0,0,0,0|0,1,0]=4 17666 B13R1.669 C=CCCSc1ccc(c(c1)N)O 62a_100000754431_100000752626 [0,3,0,0,0,0|0,1,0]=4 17667 B13R1.669 C=CCCSc1ccc(c(c1)O)Br 62a_100000754431_100012356990 [0,3,0,0,0,0|0,1,0]=4 17668 B13R1.669 C=CCCSc1ccc(c(c1)O)Br 62a_100012356990_100000754431 [0,3,0,0,0,0|0,1,0]=4 17669 B13R1.669 C=CCCSc1ccc(c(c1)O)C 62a_100000685420_100000754431 [0,3,0,0,0,0|0,1,0]=4 17670 B13R1.669 C=CCCSc1ccc(c(c1)O)C 62a_100000754431_100000685420 [0,3,0,0,0,0|0,1,0]=4 17671 B13R1.669 C=CCCSc1ccc(c(c1)O)Cl 62a_100000754431_100011356854 [0,3,0,0,0,0|0,1,0]=4 17672 B13R1.669 C=CCCSc1ccc(c(c1)O)Cl 62a_100011356854_100000754431 [0,3,0,0,0,0|0,1,0]=4 17673 B13R1.669 C=CCCSc1ccc(c(c1)O)F 62a_100000686035_100000754431 [0,3,0,0,0,0|0,1,0]=4 17674 B13R1.669 C=CCCSc1ccc(c(c1)O)F 62a_100000754431_100000686035 [0,3,0,0,0,0|0,1,0]=4 17675 B13R1.669 C=CCCSc1ccc(c(c1)O)N 62a_100000739049_100000754431 [0,3,0,0,0,0|0,1,0]=4 17676 B13R1.669 C=CCCSc1ccc(c(c1)O)N 62a_100000754431_100000739049 [0,3,0,0,0,0|0,1,0]=4 17677 B13R1.669 C=CCCSc1ccc(c(c1)O)O 62a_100000754431_100009813601 [0,3,0,0,0,0|0,1,0]=4 17678 B13R1.669 C=CCNCc1ccc(c(c1)Br)Br 2230a_100012351559_100000210623 [0,3,0,0,0,0|1,0,0]=4 17679 B13R1.669 C=CCNCc1ccc(c(c1)Br)Br 2230a_100020586998_100012353900 [0,3,0,0,0,0|1,0,0]=4 17680 B13R1.669 C=CCNCc1ccc(c(c1)Br)Br 270004a_100020586998_100011215943 [0,3,0,0,0,0|1,0,0]=4 17681 B13R1.669 C=CCNCc1ccc(c(c1)Br)Br 34a_100012351559_100015514636 [0,3,0,0,0,0|1,0,0]=4 17682 B13R1.669 C=CCNCc1ccc(c(c1)Br)C 2230a_100020586998_100012232412 [0,3,0,0,0,0|1,0,0]=4 17683 B13R1.669 C=CCNCc1ccc(c(c1)Br)C 270004a_100020586998_100000695567 [0,3,0,0,0,0|1,0,0]=4 17684 B13R1.669 C=CCNCc1ccc(c(c1)Br)Cl 2230a_100012349490_100000210623 [0,3,0,0,0,0|1,0,0]=4 17685 B13R1.669 C=CCNCc1ccc(c(c1)Br)Cl 2230a_100020586998_100012353894 [0,3,0,0,0,0|1,0,0]=4 17686 B13R1.669 C=CCNCc1ccc(c(c1)Br)Cl 270004a_100020586998_100000693810 [0,3,0,0,0,0|1,0,0]=4 17687 B13R1.669 C=CCNCc1ccc(c(c1)Br)Cl 34a_100012349490_100015514636 [0,3,0,0,0,0|1,0,0]=4 17688 B13R1.669 C=CCNCc1ccc(c(c1)Br)F 2230a_100015193890_100000210623 [0,3,0,0,0,0|1,0,0]=4 17689 B13R1.669 C=CCNCc1ccc(c(c1)Br)F 2230a_100020586998_100011206884 [0,3,0,0,0,0|1,0,0]=4 17690 B13R1.669 C=CCNCc1ccc(c(c1)Br)F 270004a_100020586998_100000211747 [0,3,0,0,0,0|1,0,0]=4 17691 B13R1.669 C=CCNCc1ccc(c(c1)Br)F 34a_100015193890_100015514636 [0,3,0,0,0,0|1,0,0]=4 17692 B13R1.669 C=CCNCc1ccc(c(c1)C)Br 2230a_100015205234_100000210623 [0,3,0,0,0,0|1,0,0]=4 17693 B13R1.669 C=CCNCc1ccc(c(c1)C)Br 2230a_100020586998_100000727479 [0,3,0,0,0,0|1,0,0]=4 17694 B13R1.669 C=CCNCc1ccc(c(c1)C)Br 270004a_100020586998_100000765772 [0,3,0,0,0,0|1,0,0]=4 17695 B13R1.669 C=CCNCc1ccc(c(c1)C)Br 34a_100015205234_100015514636 [0,3,0,0,0,0|1,0,0]=4 17696 B13R1.669 C=CCNCc1ccc(c(c1)C)C 2230a_100020586998_100000742320 [0,3,0,0,0,0|1,0,0]=4 17697 B13R1.669 C=CCNCc1ccc(c(c1)C)C 2230a_100025706692_100000210623 [0,3,0,0,0,0|1,0,0]=4 17698 B13R1.669 C=CCNCc1ccc(c(c1)C)C 270004a_100020586998_100000229942 [0,3,0,0,0,0|1,0,0]=4 17699 B13R1.669 C=CCNCc1ccc(c(c1)C)C 34a_100025706692_100015514636 [0,3,0,0,0,0|1,0,0]=4 17700 B13R1.669 C=CCNCc1ccc(c(c1)C)Cl 2230a_100020586998_100012184735 [0,3,0,0,0,0|1,0,0]=4 17701 B13R1.669 C=CCNCc1ccc(c(c1)C)Cl 270004a_100020586998_100000698814 [0,3,0,0,0,0|1,0,0]=4 17702 B13R1.669 C=CCNCc1ccc(c(c1)C)F 2230a_100000239911_100000210623 [0,3,0,0,0,0|1,0,0]=4 17703 B13R1.669 C=CCNCc1ccc(c(c1)C)F 2230a_100020586998_100011216667 [0,3,0,0,0,0|1,0,0]=4 17704 B13R1.669 C=CCNCc1ccc(c(c1)C)F 270004a_100020586998_100000748208 [0,3,0,0,0,0|1,0,0]=4 17705 B13R1.669 C=CCNCc1ccc(c(c1)C)F 34a_100000239911_100015514636 [0,3,0,0,0,0|1,0,0]=4 17706 B13R1.669 C=CCNCc1ccc(c(c1)Cl)Br 2230a_100012362553_100000210623 [0,3,0,0,0,0|1,0,0]=4 17707 B13R1.669 C=CCNCc1ccc(c(c1)Cl)Br 2230a_100020586998_100012353895 [0,3,0,0,0,0|1,0,0]=4 17708 B13R1.669 C=CCNCc1ccc(c(c1)Cl)Br 270004a_100020586998_100000690054 [0,3,0,0,0,0|1,0,0]=4 17709 B13R1.669 C=CCNCc1ccc(c(c1)Cl)Br 34a_100012362553_100015514636 [0,3,0,0,0,0|1,0,0]=4 17710 B13R1.669 C=CCNCc1ccc(c(c1)Cl)C 2230a_100020586998_100011823929 [0,3,0,0,0,0|1,0,0]=4 17711 B13R1.669 C=CCNCc1ccc(c(c1)Cl)C 2230a_102495364989_100000210623 [0,3,0,0,0,0|1,0,0]=4 17712 B13R1.669 C=CCNCc1ccc(c(c1)Cl)C 270004a_100020586998_100000760539 [0,3,0,0,0,0|1,0,0]=4 17713 B13R1.669 C=CCNCc1ccc(c(c1)Cl)C 34a_102495364989_100015514636 [0,3,0,0,0,0|1,0,0]=4 17714 B13R1.669 C=CCNCc1ccc(c(c1)Cl)Cl 2230a_100000174881_100000210623 [0,3,0,0,0,0|1,0,0]=4 17715 B13R1.669 C=CCNCc1ccc(c(c1)Cl)Cl 2230a_100020586998_100000184707 [0,3,0,0,0,0|1,0,0]=4 17716 B13R1.669 C=CCNCc1ccc(c(c1)Cl)Cl 270004a_100020586998_100000188533 [0,3,0,0,0,0|1,0,0]=4 17717 B13R1.669 C=CCNCc1ccc(c(c1)Cl)Cl 34a_100000174881_100015514636 [0,3,0,0,0,0|1,0,0]=4 17718 B13R1.669 C=CCNCc1ccc(c(c1)Cl)F 2230a_100000749334_100000210623 [0,3,0,0,0,0|1,0,0]=4 17719 B13R1.669 C=CCNCc1ccc(c(c1)Cl)F 2230a_100020586998_100000717365 [0,3,0,0,0,0|1,0,0]=4 17720 B13R1.669 C=CCNCc1ccc(c(c1)Cl)F 270004a_100020586998_100000742290 [0,3,0,0,0,0|1,0,0]=4 17721 B13R1.669 C=CCNCc1ccc(c(c1)Cl)F 34a_100000749334_100015514636 [0,3,0,0,0,0|1,0,0]=4 17722 B13R1.669 C=CCNCc1ccc(c(c1)Cl)I 2230a_100020586998_100012349665 [0,3,0,0,0,0|1,0,0]=4 17723 B13R1.669 C=CCNCc1ccc(c(c1)F)Br 2230a_100000755036_100000210623 [0,3,0,0,0,0|1,0,0]=4 17724 B13R1.669 C=CCNCc1ccc(c(c1)F)Br 2230a_100020586998_100000767054 [0,3,0,0,0,0|1,0,0]=4 17725 B13R1.669 C=CCNCc1ccc(c(c1)F)Br 270004a_100020586998_100000686674 [0,3,0,0,0,0|1,0,0]=4 17726 B13R1.669 C=CCNCc1ccc(c(c1)F)Br 34a_100000755036_100015514636 [0,3,0,0,0,0|1,0,0]=4 17727 B13R1.669 C=CCNCc1ccc(c(c1)F)C 2230a_100020586998_100011217369 [0,3,0,0,0,0|1,0,0]=4 17728 B13R1.669 C=CCNCc1ccc(c(c1)F)C 2230a_100102708794_100000210623 [0,3,0,0,0,0|1,0,0]=4 17729 B13R1.669 C=CCNCc1ccc(c(c1)F)C 270004a_100020586998_100000753222 [0,3,0,0,0,0|1,0,0]=4 17730 B13R1.669 C=CCNCc1ccc(c(c1)F)C 34a_100102708794_100015514636 [0,3,0,0,0,0|1,0,0]=4 17731 B13R1.669 C=CCNCc1ccc(c(c1)F)Cl 2230a_100011219866_100000210623 [0,3,0,0,0,0|1,0,0]=4 17732 B13R1.669 C=CCNCc1ccc(c(c1)F)Cl 2230a_100020586998_100000716492 [0,3,0,0,0,0|1,0,0]=4 17733 B13R1.669 C=CCNCc1ccc(c(c1)F)Cl 270004a_100020586998_100000745630 [0,3,0,0,0,0|1,0,0]=4 17734 B13R1.669 C=CCNCc1ccc(c(c1)F)Cl 34a_100011219866_100015514636 [0,3,0,0,0,0|1,0,0]=4 17735 B13R1.669 C=CCNCc1ccc(c(c1)F)F 2230a_100000737897_100000210623 [0,3,0,0,0,0|1,0,0]=4 17736 B13R1.669 C=CCNCc1ccc(c(c1)F)F 2230a_100020586998_100000757363 [0,3,0,0,0,0|1,0,0]=4 17737 B13R1.669 C=CCNCc1ccc(c(c1)F)F 270004a_100020586998_100000211062 [0,3,0,0,0,0|1,0,0]=4 17738 B13R1.669 C=CCNCc1ccc(c(c1)F)F 34a_100000737897_100015514636 [0,3,0,0,0,0|1,0,0]=4 17739 B13R1.669 C=CCNCc1ccc(c(c1)F)I 2230a_100020586998_100010149604 [0,3,0,0,0,0|1,0,0]=4 17740 B13R1.669 C=CCNCc1ccc(c(c1)F)I 270004a_100020586998_100000050832 [0,3,0,0,0,0|1,0,0]=4 17741 B13R1.669 C=CCNCc1ccc(c(c1)F)O 34a_100000758358_100015514636 [0,3,0,0,0,0|1,0,0]=4 17742 B13R1.669 C=CCNCc1ccc(c(c1)I)Br 2230a_100020586998_100010146616 [0,3,0,0,0,0|1,0,0]=4 17743 B13R1.669 C=CCNCc1ccc(c(c1)I)Br 270004a_100020586998_100010146563 [0,3,0,0,0,0|1,0,0]=4 17744 B13R1.669 C=CCNCc1ccc(c(c1)I)C 2230a_100020586998_100010206137 [0,3,0,0,0,0|1,0,0]=4 17745 B13R1.669 C=CCNCc1ccc(c(c1)I)C 270004a_100020586998_100010197721 [0,3,0,0,0,0|1,0,0]=4 17746 B13R1.669 C=CCNCc1ccc(c(c1)I)Cl 270004a_100020586998_100010209939 [0,3,0,0,0,0|1,0,0]=4 17747 B13R1.669 C=CCNCc1ccc(c(c1)I)F 2230a_100020586998_100010188208 [0,3,0,0,0,0|1,0,0]=4 17748 B13R1.669 C=CCNCc1ccc(c(c1)I)F 270004a_100020586998_100010188209 [0,3,0,0,0,0|1,0,0]=4 17749 B13R1.669 C=CCNCc1ccc(c(c1)O)Cl 34a_100020636435_100015514636 [0,3,0,0,0,0|1,0,0]=4 17750 B13R1.669 C=CCNCc1ccc(c(c1)O)F 34a_100160469508_100015514636 [0,3,0,0,0,0|1,0,0]=4 17751 B13R1.669 C=CCNCc1ccc(c(c1)O)O 34a_100000010075_100015514636 [0,3,0,0,0,0|1,0,0]=4 17752 B13R1.669 C=CCOCc1cc(c(cn1)Br)C 34a_200010713146_100015514636 [0,3,0,0,0,0|1,0,0]=4 17753 B13R1.669 C=CCOCc1cc(c(cn1)C)Br 34a_100010113723_100015514636 [0,3,0,0,0,0|1,0,0]=4 17754 B13R1.669 C=CCOCc1cc(c(cn1)C)Br 7a_100010113723_100015514636 [0,3,0,0,0,0|1,0,0]=4 17755 B13R1.669 C=CCOCc1cc(c(cn1)C)Cl 34a_200000144627_100015514636 [0,3,0,0,0,0|1,0,0]=4 17756 B13R1.669 C=CCOCc1cc(c(cn1)C)Cl 7a_200000144627_100015514636 [0,3,0,0,0,0|1,0,0]=4 17757 B13R1.669 C=CCOCc1ccc(c(c1)Br)Br 34a_200000210373_100012353900 [0,3,0,0,0,0|0,0,0]=3 17758 B13R1.669 C=CCOCc1ccc(c(c1)Br)C 34a_100000708995_100015514636 [0,3,0,0,0,0|0,0,0]=3 17759 B13R1.669 C=CCOCc1ccc(c(c1)Br)C 34a_200000210373_100012232412 [0,3,0,0,0,0|0,0,0]=3 17760 B13R1.669 C=CCOCc1ccc(c(c1)Br)C 7a_100000708995_100015514636 [0,3,0,0,0,0|0,0,0]=3 17761 B13R1.669 C=CCOCc1ccc(c(c1)Br)Cl 34a_100012353893_100015514636 [0,3,0,0,0,0|0,0,0]=3 17762 B13R1.669 C=CCOCc1ccc(c(c1)Br)Cl 34a_200000210373_100012353894 [0,3,0,0,0,0|0,0,0]=3 17763 B13R1.669 C=CCOCc1ccc(c(c1)Br)Cl 7a_100012353893_100015514636 [0,3,0,0,0,0|0,0,0]=3 17764 B13R1.669 C=CCOCc1ccc(c(c1)Br)F 34a_100000246287_100015514636 [0,3,0,0,0,0|0,0,0]=3 17765 B13R1.669 C=CCOCc1ccc(c(c1)Br)F 34a_200000210373_100011206884 [0,3,0,0,0,0|0,0,0]=3 17766 B13R1.669 C=CCOCc1ccc(c(c1)Br)F 7a_100000246287_100015514636 [0,3,0,0,0,0|0,0,0]=3 17767 B13R1.669 C=CCOCc1ccc(c(c1)C)Br 34a_100000718852_100015514636 [0,3,0,0,0,0|0,0,0]=3 17768 B13R1.669 C=CCOCc1ccc(c(c1)C)Br 34a_200000210373_100000727479 [0,3,0,0,0,0|0,0,0]=3 17769 B13R1.669 C=CCOCc1ccc(c(c1)C)Br 7a_100000718852_100015514636 [0,3,0,0,0,0|0,0,0]=3 17770 B13R1.669 C=CCOCc1ccc(c(c1)C)C 34a_100011215342_100015514636 [0,3,0,0,0,0|0,0,0]=3 17771 B13R1.669 C=CCOCc1ccc(c(c1)C)C 34a_200000210373_100000742320 [0,3,0,0,0,0|0,0,0]=3 17772 B13R1.669 C=CCOCc1ccc(c(c1)C)C 7a_100011215342_100015514636 [0,3,0,0,0,0|0,0,0]=3 17773 B13R1.669 C=CCOCc1ccc(c(c1)C)Cl 34a_200000210373_100012184735 [0,3,0,0,0,0|0,0,0]=3 17774 B13R1.669 C=CCOCc1ccc(c(c1)C)F 34a_100011219793_100015514636 [0,3,0,0,0,0|0,0,0]=3 17775 B13R1.669 C=CCOCc1ccc(c(c1)C)F 34a_200000210373_100011216667 [0,3,0,0,0,0|0,0,0]=3 17776 B13R1.669 C=CCOCc1ccc(c(c1)C)F 7a_100011219793_100015514636 [0,3,0,0,0,0|0,0,0]=3 17777 B13R1.669 C=CCOCc1ccc(c(c1)C)N 34a_200011997030_100015514636 [0,3,0,0,0,0|0,0,0]=3 17778 B13R1.669 C=CCOCc1ccc(c(c1)Cl)Br 34a_100000709168_100015514636 [0,3,0,0,0,0|0,0,0]=3 17779 B13R1.669 C=CCOCc1ccc(c(c1)Cl)Br 34a_200000210373_100012353895 [0,3,0,0,0,0|0,0,0]=3 17780 B13R1.669 C=CCOCc1ccc(c(c1)Cl)Br 7a_100000709168_100015514636 [0,3,0,0,0,0|0,0,0]=3 17781 B13R1.669 C=CCOCc1ccc(c(c1)Cl)C 34a_100011290783_100015514636 [0,3,0,0,0,0|0,0,0]=3 17782 B13R1.669 C=CCOCc1ccc(c(c1)Cl)C 34a_200000210373_100011823929 [0,3,0,0,0,0|0,0,0]=3 17783 B13R1.669 C=CCOCc1ccc(c(c1)Cl)C 7a_100011290783_100015514636 [0,3,0,0,0,0|0,0,0]=3 17784 B13R1.669 C=CCOCc1ccc(c(c1)Cl)Cl 34a_100000211588_100015514636 [0,3,0,0,0,0|0,0,0]=3 17785 B13R1.669 C=CCOCc1ccc(c(c1)Cl)Cl 34a_200000210373_100000184707 [0,3,0,0,0,0|0,0,0]=3 17786 B13R1.669 C=CCOCc1ccc(c(c1)Cl)Cl 7a_100000211588_100015514636 [0,3,0,0,0,0|0,0,0]=3 17787 B13R1.669 C=CCOCc1ccc(c(c1)Cl)F 34a_100011217911_100015514636 [0,3,0,0,0,0|0,0,0]=3 17788 B13R1.669 C=CCOCc1ccc(c(c1)Cl)F 34a_200000210373_100011934319 [0,3,0,0,0,0|0,0,0]=3 17789 B13R1.669 C=CCOCc1ccc(c(c1)Cl)F 7a_100011217911_100015514636 [0,3,0,0,0,0|0,0,0]=3 17790 B13R1.669 C=CCOCc1ccc(c(c1)Cl)I 34a_100000718186_100015514636 [0,3,0,0,0,0|0,0,0]=3 17791 B13R1.669 C=CCOCc1ccc(c(c1)Cl)I 34a_200000210373_100012349665 [0,3,0,0,0,0|0,0,0]=3 17792 B13R1.669 C=CCOCc1ccc(c(c1)Cl)I 7a_100000718186_100015514636 [0,3,0,0,0,0|0,0,0]=3 17793 B13R1.669 C=CCOCc1ccc(c(c1)F)Br 34a_100011533735_100015514636 [0,3,0,0,0,0|0,0,0]=3 17794 B13R1.669 C=CCOCc1ccc(c(c1)F)Br 34a_200000210373_100000767054 [0,3,0,0,0,0|0,0,0]=3 17795 B13R1.669 C=CCOCc1ccc(c(c1)F)Br 7a_100011533735_100015514636 [0,3,0,0,0,0|0,0,0]=3 17796 B13R1.669 C=CCOCc1ccc(c(c1)F)C 34a_100000702247_100015514636 [0,3,0,0,0,0|0,0,0]=3 17797 B13R1.669 C=CCOCc1ccc(c(c1)F)C 34a_200000210373_100011217369 [0,3,0,0,0,0|0,0,0]=3 17798 B13R1.669 C=CCOCc1ccc(c(c1)F)C 7a_100000702247_100015514636 [0,3,0,0,0,0|0,0,0]=3 17799 B13R1.669 C=CCOCc1ccc(c(c1)F)Cl 34a_100011218299_100015514636 [0,3,0,0,0,0|0,0,0]=3 17800 B13R1.669 C=CCOCc1ccc(c(c1)F)Cl 34a_200000210373_100011519011 [0,3,0,0,0,0|0,0,0]=3 17801 B13R1.669 C=CCOCc1ccc(c(c1)F)Cl 7a_100011218299_100015514636 [0,3,0,0,0,0|0,0,0]=3 17802 B13R1.669 C=CCOCc1ccc(c(c1)F)F 34a_100011215442_100015514636 [0,3,0,0,0,0|0,0,0]=3 17803 B13R1.669 C=CCOCc1ccc(c(c1)F)F 34a_200000210373_100000757363 [0,3,0,0,0,0|0,0,0]=3 17804 B13R1.669 C=CCOCc1ccc(c(c1)F)F 7a_100011215442_100015514636 [0,3,0,0,0,0|0,0,0]=3 17805 B13R1.669 C=CCOCc1ccc(c(c1)F)I 34a_100010149597_100015514636 [0,3,0,0,0,0|0,0,0]=3 17806 B13R1.669 C=CCOCc1ccc(c(c1)F)I 34a_200000210373_100010149604 [0,3,0,0,0,0|0,0,0]=3 17807 B13R1.669 C=CCOCc1ccc(c(c1)F)I 7a_100010149597_100015514636 [0,3,0,0,0,0|0,0,0]=3 17808 B13R1.669 C=CCOCc1ccc(c(c1)F)N 34a_100011217239_100015514636 [0,3,0,0,0,0|0,0,0]=3 17809 B13R1.669 C=CCOCc1ccc(c(c1)I)Br 34a_200000210373_100010146616 [0,3,0,0,0,0|0,0,0]=3 17810 B13R1.669 C=CCOCc1ccc(c(c1)I)C 34a_100000050133_100015514636 [0,3,0,0,0,0|0,0,0]=3 17811 B13R1.669 C=CCOCc1ccc(c(c1)I)C 34a_200000210373_100010206137 [0,3,0,0,0,0|0,0,0]=3 17812 B13R1.669 C=CCOCc1ccc(c(c1)I)C 7a_100000050133_100015514636 [0,3,0,0,0,0|0,0,0]=3 17813 B13R1.669 C=CCOCc1ccc(c(c1)I)F 34a_100000049585_100015514636 [0,3,0,0,0,0|0,0,0]=3 17814 B13R1.669 C=CCOCc1ccc(c(c1)I)F 34a_200000210373_100010188208 [0,3,0,0,0,0|0,0,0]=3 17815 B13R1.669 C=CCOCc1ccc(c(c1)I)F 7a_100000049585_100015514636 [0,3,0,0,0,0|0,0,0]=3 17816 B13R1.669 C=CCOCc1ccc(c(c1)N)Br 34a_100012347568_100015514636 [0,3,0,0,0,0|0,0,0]=3 17817 B13R1.669 C=CCOCc1ccc(c(c1)N)C 34a_100000758420_100015514636 [0,3,0,0,0,0|0,0,0]=3 17818 B13R1.669 C=CCOCc1ccc(c(c1)N)Cl 34a_106256033963_100015514636 [0,3,0,0,0,0|0,0,0]=3 17819 B13R1.669 C=CCOCc1ccc(c(c1)N)F 34a_102125399562_100015514636 [0,3,0,0,0,0|0,0,0]=3 17820 B13R1.669 C=CCOCc1ccc(c(n1)C)Br 34a_100010114280_100015514636 [0,3,0,0,0,0|1,0,0]=4 17821 B13R1.669 C=CCOCc1ccc(c(n1)C)F 34a_200009884719_100015514636 [0,3,0,0,0,0|1,0,0]=4 17822 B13R1.669 C=CCOCc1ccc(c(n1)Cl)Br 34a_100010065236_100015514636 [0,3,0,0,0,0|1,0,0]=4 17823 B13R1.669 C=CCOCc1cnc(c(c1)Br)Cl 34a_100010201731_100015514636 [0,3,0,0,0,0|1,0,0]=4 17824 B13R1.669 C=CCOCc1cnc(c(c1)Br)Cl 7a_100010201731_100015514636 [0,3,0,0,0,0|1,0,0]=4 17825 B13R1.669 C=CCOCc1cnc(c(c1)Br)F 34a_200000210373_200010066439 [0,3,0,0,0,0|1,0,0]=4 17826 B13R1.669 C=CCOCc1cnc(c(c1)Br)N 34a_100012343677_100015514636 [0,3,0,0,0,0|1,0,0]=4 17827 B13R1.669 C=CCOCc1cnc(c(c1)Br)N 7a_100012343677_100015514636 [0,3,0,0,0,0|1,0,0]=4 17828 B13R1.669 C=CCOCc1cnc(c(c1)C)Cl 34a_200000092119_100015514636 [0,3,0,0,0,0|1,0,0]=4 17829 B13R1.669 C=CCOCc1cnc(c(c1)C)Cl 7a_200000092119_100015514636 [0,3,0,0,0,0|1,0,0]=4 17830 B13R1.669 C=CCOCc1cnc(c(c1)Cl)Cl 34a_100000042784_100015514636 [0,3,0,0,0,0|1,0,0]=4 17831 B13R1.669 C=CCOCc1cnc(c(c1)Cl)Cl 34a_200000210373_100009843750 [0,3,0,0,0,0|1,0,0]=4 17832 B13R1.669 C=CCOCc1cnc(c(c1)Cl)Cl 7a_100000042784_100015514636 [0,3,0,0,0,0|1,0,0]=4 17833 B13R1.669 C=CCOCc1cnc(c(c1)F)Br 34a_100010065243_100015514636 [0,3,0,0,0,0|1,0,0]=4 17834 B13R1.669 C=CCOCc1cnc(c(c1)F)Br 7a_100010065243_100015514636 [0,3,0,0,0,0|1,0,0]=4 17835 B13R1.669 C=CCOCc1cnc(c(c1)F)C 34a_100009839834_100015514636 [0,3,0,0,0,0|1,0,0]=4 17836 B13R1.669 C=CCOCc1cnc(c(c1)F)C 7a_100009839834_100015514636 [0,3,0,0,0,0|1,0,0]=4 17837 B13R1.669 C=CCOCc1cnc(c(c1)I)Cl 34a_200000210373_100011072623 [0,3,0,0,0,0|1,0,0]=4 17838 B13R1.669 C=CCOCc1cnc(c(c1)I)Cl 34a_200015217190_100015514636 [0,3,0,0,0,0|1,0,0]=4 17839 B13R1.669 C=CCOCc1cnc(c(c1)I)Cl 7a_200015217190_100015514636 [0,3,0,0,0,0|1,0,0]=4 17840 B13R1.669 C=CCSCc1ccc(c(c1)Br)Br 62a_100000210623_100012353900 [0,3,0,0,0,0|0,1,0]=4 17841 B13R1.669 C=CCSCc1ccc(c(c1)Br)Br 62a_100012353900_100000210623 [0,3,0,0,0,0|0,1,0]=4 17842 B13R1.669 C=CCSCc1ccc(c(c1)Br)C 62a_100000210623_100012232412 [0,3,0,0,0,0|0,1,0]=4 17843 B13R1.669 C=CCSCc1ccc(c(c1)Br)C 62a_100012232412_100000210623 [0,3,0,0,0,0|0,1,0]=4 17844 B13R1.669 C=CCSCc1ccc(c(c1)Br)Cl 62a_100000210623_100012353894 [0,3,0,0,0,0|0,1,0]=4 17845 B13R1.669 C=CCSCc1ccc(c(c1)Br)Cl 62a_100012353894_100000210623 [0,3,0,0,0,0|0,1,0]=4 17846 B13R1.669 C=CCSCc1ccc(c(c1)Br)F 62a_100000210623_100011206884 [0,3,0,0,0,0|0,1,0]=4 17847 B13R1.669 C=CCSCc1ccc(c(c1)Br)F 62a_100011206884_100000210623 [0,3,0,0,0,0|0,1,0]=4 17848 B13R1.669 C=CCSCc1ccc(c(c1)C)Br 62a_100000210623_100000727479 [0,3,0,0,0,0|0,1,0]=4 17849 B13R1.669 C=CCSCc1ccc(c(c1)C)Br 62a_100000727479_100000210623 [0,3,0,0,0,0|0,1,0]=4 17850 B13R1.669 C=CCSCc1ccc(c(c1)C)C 62a_100000210623_100000742320 [0,3,0,0,0,0|0,1,0]=4 17851 B13R1.669 C=CCSCc1ccc(c(c1)C)C 62a_100000742320_100000210623 [0,3,0,0,0,0|0,1,0]=4 17852 B13R1.669 C=CCSCc1ccc(c(c1)C)Cl 62a_100000210623_100012184735 [0,3,0,0,0,0|0,1,0]=4 17853 B13R1.669 C=CCSCc1ccc(c(c1)C)Cl 62a_100012184735_100000210623 [0,3,0,0,0,0|0,1,0]=4 17854 B13R1.669 C=CCSCc1ccc(c(c1)C)F 62a_100000210623_100011216667 [0,3,0,0,0,0|0,1,0]=4 17855 B13R1.669 C=CCSCc1ccc(c(c1)C)F 62a_100011216667_100000210623 [0,3,0,0,0,0|0,1,0]=4 17856 B13R1.669 C=CCSCc1ccc(c(c1)Cl)Br 62a_100000210623_100012353895 [0,3,0,0,0,0|0,1,0]=4 17857 B13R1.669 C=CCSCc1ccc(c(c1)Cl)Br 62a_100012353895_100000210623 [0,3,0,0,0,0|0,1,0]=4 17858 B13R1.669 C=CCSCc1ccc(c(c1)Cl)C 62a_100000210623_100011823929 [0,3,0,0,0,0|0,1,0]=4 17859 B13R1.669 C=CCSCc1ccc(c(c1)Cl)C 62a_100011823929_100000210623 [0,3,0,0,0,0|0,1,0]=4 17860 B13R1.669 C=CCSCc1ccc(c(c1)Cl)Cl 62a_100000184707_100000210623 [0,3,0,0,0,0|0,1,0]=4 17861 B13R1.669 C=CCSCc1ccc(c(c1)Cl)Cl 62a_100000210623_100000184707 [0,3,0,0,0,0|0,1,0]=4 17862 B13R1.669 C=CCSCc1ccc(c(c1)Cl)F 62a_100000210623_100011934319 [0,3,0,0,0,0|0,1,0]=4 17863 B13R1.669 C=CCSCc1ccc(c(c1)Cl)F 62a_100000717365_100000210623 [0,3,0,0,0,0|0,1,0]=4 17864 B13R1.669 C=CCSCc1ccc(c(c1)Cl)I 62a_100000210623_100012349665 [0,3,0,0,0,0|0,1,0]=4 17865 B13R1.669 C=CCSCc1ccc(c(c1)Cl)I 62a_100012349665_100000210623 [0,3,0,0,0,0|0,1,0]=4 17866 B13R1.669 C=CCSCc1ccc(c(c1)F)Br 62a_100000210623_100000767054 [0,3,0,0,0,0|0,1,0]=4 17867 B13R1.669 C=CCSCc1ccc(c(c1)F)Br 62a_100000767054_100000210623 [0,3,0,0,0,0|0,1,0]=4 17868 B13R1.669 C=CCSCc1ccc(c(c1)F)C 62a_100000210623_100011217369 [0,3,0,0,0,0|0,1,0]=4 17869 B13R1.669 C=CCSCc1ccc(c(c1)F)C 62a_100011217369_100000210623 [0,3,0,0,0,0|0,1,0]=4 17870 B13R1.669 C=CCSCc1ccc(c(c1)F)Cl 62a_100000210623_100000716492 [0,3,0,0,0,0|0,1,0]=4 17871 B13R1.669 C=CCSCc1ccc(c(c1)F)Cl 62a_100000716492_100000210623 [0,3,0,0,0,0|0,1,0]=4 17872 B13R1.669 C=CCSCc1ccc(c(c1)F)F 62a_100000210623_100000757363 [0,3,0,0,0,0|0,1,0]=4 17873 B13R1.669 C=CCSCc1ccc(c(c1)F)F 62a_100000757363_100000210623 [0,3,0,0,0,0|0,1,0]=4 17874 B13R1.669 C=CCSCc1ccc(c(c1)F)I 62a_100000210623_100010149604 [0,3,0,0,0,0|0,1,0]=4 17875 B13R1.669 C=CCSCc1ccc(c(c1)F)I 62a_100010149604_100000210623 [0,3,0,0,0,0|0,1,0]=4 17876 B13R1.669 C=CCSCc1ccc(c(c1)I)Br 62a_100000210623_100010146616 [0,3,0,0,0,0|0,1,0]=4 17877 B13R1.669 C=CCSCc1ccc(c(c1)I)Br 62a_100010146616_100000210623 [0,3,0,0,0,0|0,1,0]=4 17878 B13R1.669 C=CCSCc1ccc(c(c1)I)C 62a_100000210623_100010206137 [0,3,0,0,0,0|0,1,0]=4 17879 B13R1.669 C=CCSCc1ccc(c(c1)I)C 62a_100010206137_100000210623 [0,3,0,0,0,0|0,1,0]=4 17880 B13R1.669 C=CCSCc1ccc(c(c1)I)F 62a_100000210623_100010188208 [0,3,0,0,0,0|0,1,0]=4 17881 B13R1.669 C=CCSCc1ccc(c(c1)I)F 62a_100010188208_100000210623 [0,3,0,0,0,0|0,1,0]=4 17882 B13R1.669 CC=CCNc1ccc(c(c1)Br)Br 2230a_100011306057_100000070051 [0,3,0,0,0,0|1,0,0]=4 17883 B13R1.669 CC=CCNc1ccc(c(c1)Br)Br 34a_100011306057_100000070051 [0,3,0,0,0,0|1,0,0]=4 17884 B13R1.669 CC=CCNc1ccc(c(c1)Br)Br 7a_100011306057_100000070051 [0,3,0,0,0,0|1,0,0]=4 17885 B13R1.669 CC=CCNc1ccc(c(c1)Br)C 2230a_100000736455_100000070051 [0,3,0,0,0,0|1,0,0]=4 17886 B13R1.669 CC=CCNc1ccc(c(c1)Br)C 34a_100000736455_100000070051 [0,3,0,0,0,0|1,0,0]=4 17887 B13R1.669 CC=CCNc1ccc(c(c1)Br)C 7a_100000736455_100000070051 [0,3,0,0,0,0|1,0,0]=4 17888 B13R1.669 CC=CCNc1ccc(c(c1)Br)Cl 2230a_100000686031_100000070051 [0,3,0,0,0,0|1,0,0]=4 17889 B13R1.669 CC=CCNc1ccc(c(c1)Br)Cl 34a_100000686031_100000070051 [0,3,0,0,0,0|1,0,0]=4 17890 B13R1.669 CC=CCNc1ccc(c(c1)Br)F 2230a_100000760356_100000070051 [0,3,0,0,0,0|1,0,0]=4 17891 B13R1.669 CC=CCNc1ccc(c(c1)Br)F 34a_100000760356_100000070051 [0,3,0,0,0,0|1,0,0]=4 17892 B13R1.669 CC=CCNc1ccc(c(c1)Br)F 7a_100000760356_100000070051 [0,3,0,0,0,0|1,0,0]=4 17893 B13R1.669 CC=CCNc1ccc(c(c1)Br)I 34a_100000750458_100000070051 [0,3,0,0,0,0|1,0,0]=4 17894 B13R1.669 CC=CCNc1ccc(c(c1)Br)O 34a_100011534360_100000070051 [0,3,0,0,0,0|1,0,0]=4 17895 B13R1.669 CC=CCNc1ccc(c(c1)C)Br 2230a_100000210723_100000070051 [0,3,0,0,0,0|1,0,0]=4 17896 B13R1.669 CC=CCNc1ccc(c(c1)C)Br 34a_100000210723_100000070051 [0,3,0,0,0,0|1,0,0]=4 17897 B13R1.669 CC=CCNc1ccc(c(c1)C)Br 7a_100000210723_100000070051 [0,3,0,0,0,0|1,0,0]=4 17898 B13R1.669 CC=CCNc1ccc(c(c1)C)C 2230a_100000724040_100000070051 [0,3,0,0,0,0|1,0,0]=4 17899 B13R1.669 CC=CCNc1ccc(c(c1)C)C 34a_100000724040_100000070051 [0,3,0,0,0,0|1,0,0]=4 17900 B13R1.669 CC=CCNc1ccc(c(c1)C)C 7a_100000724040_100000070051 [0,3,0,0,0,0|1,0,0]=4 17901 B13R1.669 CC=CCNc1ccc(c(c1)C)Cl 2230a_100000187808_100000070051 [0,3,0,0,0,0|1,0,0]=4 17902 B13R1.669 CC=CCNc1ccc(c(c1)C)Cl 34a_100000187808_100000070051 [0,3,0,0,0,0|1,0,0]=4 17903 B13R1.669 CC=CCNc1ccc(c(c1)C)Cl 7a_100000187808_100000070051 [0,3,0,0,0,0|1,0,0]=4 17904 B13R1.669 CC=CCNc1ccc(c(c1)C)F 2230a_100000750164_100000070051 [0,3,0,0,0,0|1,0,0]=4 17905 B13R1.669 CC=CCNc1ccc(c(c1)C)F 34a_100000750164_100000070051 [0,3,0,0,0,0|1,0,0]=4 17906 B13R1.669 CC=CCNc1ccc(c(c1)C)F 7a_100000750164_100000070051 [0,3,0,0,0,0|1,0,0]=4 17907 B13R1.669 CC=CCNc1ccc(c(c1)C)I 34a_100000198070_100000070051 [0,3,0,0,0,0|1,0,0]=4 17908 B13R1.669 CC=CCNc1ccc(c(c1)C)I 7a_100000198070_100000070051 [0,3,0,0,0,0|1,0,0]=4 17909 B13R1.669 CC=CCNc1ccc(c(c1)C)O 34a_100011218179_100000070051 [0,3,0,0,0,0|1,0,0]=4 17910 B13R1.669 CC=CCNc1ccc(c(c1)C)O 7a_100011218179_100000070051 [0,3,0,0,0,0|1,0,0]=4 17911 B13R1.669 CC=CCNc1ccc(c(c1)Cl)Br 2230a_100000687081_100000070051 [0,3,0,0,0,0|1,0,0]=4 17912 B13R1.669 CC=CCNc1ccc(c(c1)Cl)Br 34a_100000687081_100000070051 [0,3,0,0,0,0|1,0,0]=4 17913 B13R1.669 CC=CCNc1ccc(c(c1)Cl)Br 7a_100000687081_100000070051 [0,3,0,0,0,0|1,0,0]=4 17914 B13R1.669 CC=CCNc1ccc(c(c1)Cl)C 2230a_100000188892_100000070051 [0,3,0,0,0,0|1,0,0]=4 17915 B13R1.669 CC=CCNc1ccc(c(c1)Cl)C 34a_100000188892_100000070051 [0,3,0,0,0,0|1,0,0]=4 17916 B13R1.669 CC=CCNc1ccc(c(c1)Cl)C 7a_100000188892_100000070051 [0,3,0,0,0,0|1,0,0]=4 17917 B13R1.669 CC=CCNc1ccc(c(c1)Cl)Cl 2230a_100000184108_100000070051 [0,3,0,0,0,0|1,0,0]=4 17918 B13R1.669 CC=CCNc1ccc(c(c1)Cl)Cl 34a_100000184108_100000070051 [0,3,0,0,0,0|1,0,0]=4 17919 B13R1.669 CC=CCNc1ccc(c(c1)Cl)F 2230a_100000211060_100000070051 [0,3,0,0,0,0|1,0,0]=4 17920 B13R1.669 CC=CCNc1ccc(c(c1)Cl)F 34a_100000211060_100000070051 [0,3,0,0,0,0|1,0,0]=4 17921 B13R1.669 CC=CCNc1ccc(c(c1)Cl)F 7a_100000211060_100000070051 [0,3,0,0,0,0|1,0,0]=4 17922 B13R1.669 CC=CCNc1ccc(c(c1)Cl)I 34a_100000761885_100000070051 [0,3,0,0,0,0|1,0,0]=4 17923 B13R1.669 CC=CCNc1ccc(c(c1)Cl)O 34a_100000744943_100000070051 [0,3,0,0,0,0|1,0,0]=4 17924 B13R1.669 CC=CCNc1ccc(c(c1)F)Br 2230a_100000759894_100000070051 [0,3,0,0,0,0|1,0,0]=4 17925 B13R1.669 CC=CCNc1ccc(c(c1)F)Br 34a_100000759894_100000070051 [0,3,0,0,0,0|1,0,0]=4 17926 B13R1.669 CC=CCNc1ccc(c(c1)F)Br 7a_100000759894_100000070051 [0,3,0,0,0,0|1,0,0]=4 17927 B13R1.669 CC=CCNc1ccc(c(c1)F)C 2230a_100000210958_100000070051 [0,3,0,0,0,0|1,0,0]=4 17928 B13R1.669 CC=CCNc1ccc(c(c1)F)C 34a_100000210958_100000070051 [0,3,0,0,0,0|1,0,0]=4 17929 B13R1.669 CC=CCNc1ccc(c(c1)F)C 7a_100000210958_100000070051 [0,3,0,0,0,0|1,0,0]=4 17930 B13R1.669 CC=CCNc1ccc(c(c1)F)Cl 2230a_100000739366_100000070051 [0,3,0,0,0,0|1,0,0]=4 17931 B13R1.669 CC=CCNc1ccc(c(c1)F)Cl 34a_100000739366_100000070051 [0,3,0,0,0,0|1,0,0]=4 17932 B13R1.669 CC=CCNc1ccc(c(c1)F)Cl 7a_100000739366_100000070051 [0,3,0,0,0,0|1,0,0]=4 17933 B13R1.669 CC=CCNc1ccc(c(c1)F)F 2230a_100000210724_100000070051 [0,3,0,0,0,0|1,0,0]=4 17934 B13R1.669 CC=CCNc1ccc(c(c1)F)F 34a_100000210724_100000070051 [0,3,0,0,0,0|1,0,0]=4 17935 B13R1.669 CC=CCNc1ccc(c(c1)F)F 7a_100000210724_100000070051 [0,3,0,0,0,0|1,0,0]=4 17936 B13R1.669 CC=CCNc1ccc(c(c1)F)I 34a_100011356925_100000070051 [0,3,0,0,0,0|1,0,0]=4 17937 B13R1.669 CC=CCNc1ccc(c(c1)F)I 7a_100011356925_100000070051 [0,3,0,0,0,0|1,0,0]=4 17938 B13R1.669 CC=CCNc1ccc(c(c1)F)O 34a_100011220035_100000070051 [0,3,0,0,0,0|1,0,0]=4 17939 B13R1.669 CC=CCNc1ccc(c(c1)F)O 7a_100011220035_100000070051 [0,3,0,0,0,0|1,0,0]=4 17940 B13R1.669 CC=CCNc1ccc(c(c1)I)Br 34a_100000750459_100000070051 [0,3,0,0,0,0|1,0,0]=4 17941 B13R1.669 CC=CCNc1ccc(c(c1)I)C 34a_100000184131_100000070051 [0,3,0,0,0,0|1,0,0]=4 17942 B13R1.669 CC=CCNc1ccc(c(c1)I)C 7a_100000184131_100000070051 [0,3,0,0,0,0|1,0,0]=4 17943 B13R1.669 CC=CCNc1ccc(c(c1)I)Cl 34a_100012360549_100000070051 [0,3,0,0,0,0|1,0,0]=4 17944 B13R1.669 CC=CCNc1ccc(c(c1)I)F 34a_114828291077_100000070051 [0,3,0,0,0,0|1,0,0]=4 17945 B13R1.669 CC=CCNc1ccc(c(c1)I)F 7a_114828291077_100000070051 [0,3,0,0,0,0|1,0,0]=4 17946 B13R1.669 CC=CCNc1ccc(c(c1)O)C 34a_100000759471_100000070051 [0,3,0,0,0,0|1,0,0]=4 17947 B13R1.669 CC=CCNc1ccc(c(c1)O)C 7a_100000759471_100000070051 [0,3,0,0,0,0|1,0,0]=4 17948 B13R1.669 CC=CCNc1ccc(c(c1)O)Cl 34a_100011934209_100000070051 [0,3,0,0,0,0|1,0,0]=4 17949 B13R1.669 CC=CCNc1ccc(c(c1)O)F 34a_100012017398_100000070051 [0,3,0,0,0,0|1,0,0]=4 17950 B13R1.669 CC=CCNc1ccc(c(c1)O)F 7a_100012017398_100000070051 [0,3,0,0,0,0|1,0,0]=4 17951 B13R1.669 CC=CCNc1ccc(c(c1)O)O 34a_100102946323_100000070051 [0,3,0,0,0,0|1,0,0]=4 17952 B13R1.669 CC=CCOc1cc(c(cn1)Br)C 34a_100000766222_100000070051 [0,3,0,0,0,0|1,0,0]=4 17953 B13R1.669 CC=CCOc1cc(c(cn1)Br)Cl 34a_100010369989_100000070051 [0,3,0,0,0,0|1,0,0]=4 17954 B13R1.669 CC=CCOc1cc(c(cn1)C)Br 34a_100009831917_100000070051 [0,3,0,0,0,0|1,0,0]=4 17955 B13R1.669 CC=CCOc1cc(c(cn1)Cl)C 34a_200000085746_100000070051 [0,3,0,0,0,0|1,0,0]=4 17956 B13R1.669 CC=CCOc1cc(c(cn1)Cl)Cl 34a_200000099200_100000070051 [0,3,0,0,0,0|1,0,0]=4 17957 B13R1.669 CC=CCOc1ccc(c(c1)Br)C 34a_100011380479_100000070051 [0,3,0,0,0,0|0,0,0]=3 17958 B13R1.669 CC=CCOc1ccc(c(c1)Br)C 7a_100011380479_100000070051 [0,3,0,0,0,0|0,0,0]=3 17959 B13R1.669 CC=CCOc1ccc(c(c1)Br)Cl 34a_100011933957_100000070051 [0,3,0,0,0,0|0,0,0]=3 17960 B13R1.669 CC=CCOc1ccc(c(c1)Br)Cl 7a_100011933957_100000070051 [0,3,0,0,0,0|0,0,0]=3 17961 B13R1.669 CC=CCOc1ccc(c(c1)Br)F 34a_100000693481_100000070051 [0,3,0,0,0,0|0,0,0]=3 17962 B13R1.669 CC=CCOc1ccc(c(c1)Br)F 7a_100000693481_100000070051 [0,3,0,0,0,0|0,0,0]=3 17963 B13R1.669 CC=CCOc1ccc(c(c1)Br)I 34a_100000701344_100000070051 [0,3,0,0,0,0|0,0,0]=3 17964 B13R1.669 CC=CCOc1ccc(c(c1)Br)I 7a_100000701344_100000070051 [0,3,0,0,0,0|0,0,0]=3 17965 B13R1.669 CC=CCOc1ccc(c(c1)Br)N 34a_100012001276_100000070051 [0,3,0,0,0,0|0,0,0]=3 17966 B13R1.669 CC=CCOc1ccc(c(c1)Br)N 7a_100012001276_100000070051 [0,3,0,0,0,0|0,0,0]=3 17967 B13R1.669 CC=CCOc1ccc(c(c1)C)Br 34a_100000690111_100000070051 [0,3,0,0,0,0|0,0,0]=3 17968 B13R1.669 CC=CCOc1ccc(c(c1)C)Br 7a_100000690111_100000070051 [0,3,0,0,0,0|0,0,0]=3 17969 B13R1.669 CC=CCOc1ccc(c(c1)C)C 34a_100000210932_100000070051 [0,3,0,0,0,0|0,0,0]=3 17970 B13R1.669 CC=CCOc1ccc(c(c1)C)C 7a_100000210932_100000070051 [0,3,0,0,0,0|0,0,0]=3 17971 B13R1.669 CC=CCOc1ccc(c(c1)C)Cl 34a_100000211092_100000070051 [0,3,0,0,0,0|0,0,0]=3 17972 B13R1.669 CC=CCOc1ccc(c(c1)C)Cl 7a_100000211092_100000070051 [0,3,0,0,0,0|0,0,0]=3 17973 B13R1.669 CC=CCOc1ccc(c(c1)C)F 34a_100000751312_100000070051 [0,3,0,0,0,0|0,0,0]=3 17974 B13R1.669 CC=CCOc1ccc(c(c1)C)F 7a_100000751312_100000070051 [0,3,0,0,0,0|0,0,0]=3 17975 B13R1.669 CC=CCOc1ccc(c(c1)C)I 34a_100000729255_100000070051 [0,3,0,0,0,0|0,0,0]=3 17976 B13R1.669 CC=CCOc1ccc(c(c1)C)I 7a_100000729255_100000070051 [0,3,0,0,0,0|0,0,0]=3 17977 B13R1.669 CC=CCOc1ccc(c(c1)C)N 34a_100000756630_100000070051 [0,3,0,0,0,0|0,0,0]=3 17978 B13R1.669 CC=CCOc1ccc(c(c1)C)N 7a_100000756630_100000070051 [0,3,0,0,0,0|0,0,0]=3 17979 B13R1.669 CC=CCOc1ccc(c(c1)Cl)Br 34a_100011215161_100000070051 [0,3,0,0,0,0|0,0,0]=3 17980 B13R1.669 CC=CCOc1ccc(c(c1)Cl)Br 7a_100011215161_100000070051 [0,3,0,0,0,0|0,0,0]=3 17981 B13R1.669 CC=CCOc1ccc(c(c1)Cl)C 34a_100011265682_100000070051 [0,3,0,0,0,0|0,0,0]=3 17982 B13R1.669 CC=CCOc1ccc(c(c1)Cl)C 7a_100011265682_100000070051 [0,3,0,0,0,0|0,0,0]=3 17983 B13R1.669 CC=CCOc1ccc(c(c1)Cl)Cl 34a_100000211054_100000070051 [0,3,0,0,0,0|0,0,0]=3 17984 B13R1.669 CC=CCOc1ccc(c(c1)Cl)Cl 7a_100000211054_100000070051 [0,3,0,0,0,0|0,0,0]=3 17985 B13R1.669 CC=CCOc1ccc(c(c1)Cl)F 34a_100000211030_100000070051 [0,3,0,0,0,0|0,0,0]=3 17986 B13R1.669 CC=CCOc1ccc(c(c1)Cl)F 7a_100000211030_100000070051 [0,3,0,0,0,0|0,0,0]=3 17987 B13R1.669 CC=CCOc1ccc(c(c1)Cl)I 34a_100000047559_100000070051 [0,3,0,0,0,0|0,0,0]=3 17988 B13R1.669 CC=CCOc1ccc(c(c1)Cl)I 7a_100000047559_100000070051 [0,3,0,0,0,0|0,0,0]=3 17989 B13R1.669 CC=CCOc1ccc(c(c1)Cl)N 34a_100011215599_100000070051 [0,3,0,0,0,0|0,0,0]=3 17990 B13R1.669 CC=CCOc1ccc(c(c1)Cl)N 7a_100011215599_100000070051 [0,3,0,0,0,0|0,0,0]=3 17991 B13R1.669 CC=CCOc1ccc(c(c1)F)Br 34a_100000755031_100000070051 [0,3,0,0,0,0|0,0,0]=3 17992 B13R1.669 CC=CCOc1ccc(c(c1)F)Br 7a_100000755031_100000070051 [0,3,0,0,0,0|0,0,0]=3 17993 B13R1.669 CC=CCOc1ccc(c(c1)F)C 34a_100000722560_100000070051 [0,3,0,0,0,0|0,0,0]=3 17994 B13R1.669 CC=CCOc1ccc(c(c1)F)C 7a_100000722560_100000070051 [0,3,0,0,0,0|0,0,0]=3 17995 B13R1.669 CC=CCOc1ccc(c(c1)F)Cl 34a_100000691581_100000070051 [0,3,0,0,0,0|0,0,0]=3 17996 B13R1.669 CC=CCOc1ccc(c(c1)F)Cl 7a_100000691581_100000070051 [0,3,0,0,0,0|0,0,0]=3 17997 B13R1.669 CC=CCOc1ccc(c(c1)F)F 34a_100000181275_100000070051 [0,3,0,0,0,0|0,0,0]=3 17998 B13R1.669 CC=CCOc1ccc(c(c1)F)F 7a_100000181275_100000070051 [0,3,0,0,0,0|0,0,0]=3 17999 B13R1.669 CC=CCOc1ccc(c(c1)F)I 34a_100009990212_100000070051 [0,3,0,0,0,0|0,0,0]=3 18000 B13R1.669 CC=CCOc1ccc(c(c1)F)I 7a_100009990212_100000070051 [0,3,0,0,0,0|0,0,0]=3 18001 B13R1.669 CC=CCOc1ccc(c(c1)F)N 34a_100000759473_100000070051 [0,3,0,0,0,0|0,0,0]=3 18002 B13R1.669 CC=CCOc1ccc(c(c1)F)N 7a_100000759473_100000070051 [0,3,0,0,0,0|0,0,0]=3 18003 B13R1.669 CC=CCOc1ccc(c(c1)I)Br 34a_100012339312_100000070051 [0,3,0,0,0,0|0,0,0]=3 18004 B13R1.669 CC=CCOc1ccc(c(c1)I)Br 7a_100012339312_100000070051 [0,3,0,0,0,0|0,0,0]=3 18005 B13R1.669 CC=CCOc1ccc(c(c1)I)Cl 34a_100000049588_100000070051 [0,3,0,0,0,0|0,0,0]=3 18006 B13R1.669 CC=CCOc1ccc(c(c1)I)Cl 7a_100000049588_100000070051 [0,3,0,0,0,0|0,0,0]=3 18007 B13R1.669 CC=CCOc1ccc(c(c1)I)N 34a_100010084370_100000070051 [0,3,0,0,0,0|0,0,0]=3 18008 B13R1.669 CC=CCOc1ccc(c(c1)I)N 7a_100010084370_100000070051 [0,3,0,0,0,0|0,0,0]=3 18009 B13R1.669 CC=CCOc1ccc(c(c1)N)Br 34a_100011999798_100000070051 [0,3,0,0,0,0|0,0,0]=3 18010 B13R1.669 CC=CCOc1ccc(c(c1)N)Br 7a_100011999798_100000070051 [0,3,0,0,0,0|0,0,0]=3 18011 B13R1.669 CC=CCOc1ccc(c(c1)N)C 34a_100011216113_100000070051 [0,3,0,0,0,0|0,0,0]=3 18012 B13R1.669 CC=CCOc1ccc(c(c1)N)C 7a_100011216113_100000070051 [0,3,0,0,0,0|0,0,0]=3 18013 B13R1.669 CC=CCOc1ccc(c(c1)N)Cl 34a_100011934297_100000070051 [0,3,0,0,0,0|0,0,0]=3 18014 B13R1.669 CC=CCOc1ccc(c(c1)N)F 34a_100012017239_100000070051 [0,3,0,0,0,0|0,0,0]=3 18015 B13R1.669 CC=CCOc1ccc(c(c1)N)F 7a_100012017239_100000070051 [0,3,0,0,0,0|0,0,0]=3 18016 B13R1.669 CC=CCOc1ccc(c(c1)N)N 34a_100025771000_100000070051 [0,3,0,0,0,0|0,0,0]=3 18017 B13R1.669 CC=CCOc1ccc(c(n1)C)Br 34a_100000691680_100000070051 [0,3,0,0,0,0|1,0,0]=4 18018 B13R1.669 CC=CCOc1ccc(c(n1)C)Cl 34a_200009863735_100000070051 [0,3,0,0,0,0|1,0,0]=4 18019 B13R1.669 CC=CCOc1ccc(c(n1)F)Br 34a_100009879308_100000070051 [0,3,0,0,0,0|1,0,0]=4 18020 B13R1.669 CC=CCOc1cnc(c(c1)Br)C 34a_100009819603_100000070051 [0,3,0,0,0,0|1,0,0]=4 18021 B13R1.669 CC=CCOc1cnc(c(c1)Br)C 7a_100009819603_100000070051 [0,3,0,0,0,0|1,0,0]=4 18022 B13R1.669 CC=CCOc1cnc(c(c1)Br)Cl 34a_100012356455_100000070051 [0,3,0,0,0,0|1,0,0]=4 18023 B13R1.669 CC=CCOc1cnc(c(c1)Br)Cl 7a_100012356455_100000070051 [0,3,0,0,0,0|1,0,0]=4 18024 B13R1.669 CC=CCOc1cnc(c(c1)Br)F 34a_100009817267_100000070051 [0,3,0,0,0,0|1,0,0]=4 18025 B13R1.669 CC=CCOc1cnc(c(c1)Br)F 7a_100009817267_100000070051 [0,3,0,0,0,0|1,0,0]=4 18026 B13R1.669 CC=CCOc1cnc(c(c1)C)Br 34a_100012000486_100000070051 [0,3,0,0,0,0|1,0,0]=4 18027 B13R1.669 CC=CCOc1cnc(c(c1)C)Br 7a_100012000486_100000070051 [0,3,0,0,0,0|1,0,0]=4 18028 B13R1.669 CC=CCOc1cnc(c(c1)C)C 34a_100009854398_100000070051 [0,3,0,0,0,0|1,0,0]=4 18029 B13R1.669 CC=CCOc1cnc(c(c1)C)C 7a_100009854398_100000070051 [0,3,0,0,0,0|1,0,0]=4 18030 B13R1.669 CC=CCOc1cnc(c(c1)C)Cl 34a_100012002680_100000070051 [0,3,0,0,0,0|1,0,0]=4 18031 B13R1.669 CC=CCOc1cnc(c(c1)C)Cl 7a_100012002680_100000070051 [0,3,0,0,0,0|1,0,0]=4 18032 B13R1.669 CC=CCOc1cnc(c(c1)C)F 34a_100000094615_100000070051 [0,3,0,0,0,0|1,0,0]=4 18033 B13R1.669 CC=CCOc1cnc(c(c1)C)F 7a_100000094615_100000070051 [0,3,0,0,0,0|1,0,0]=4 18034 B13R1.669 CC=CCOc1cnc(c(c1)Cl)Br 34a_100010209684_100000070051 [0,3,0,0,0,0|1,0,0]=4 18035 B13R1.669 CC=CCOc1cnc(c(c1)Cl)Br 7a_100010209684_100000070051 [0,3,0,0,0,0|1,0,0]=4 18036 B13R1.669 CC=CCOc1cnc(c(c1)Cl)Cl 34a_100000094354_100000070051 [0,3,0,0,0,0|1,0,0]=4 18037 B13R1.669 CC=CCOc1cnc(c(c1)Cl)Cl 7a_100000094354_100000070051 [0,3,0,0,0,0|1,0,0]=4 18038 B13R1.669 CC=CCOc1cnc(c(c1)Cl)F 34a_100000087088_100000070051 [0,3,0,0,0,0|1,0,0]=4 18039 B13R1.669 CC=CCOc1cnc(c(c1)Cl)F 7a_100000087088_100000070051 [0,3,0,0,0,0|1,0,0]=4 18040 B13R1.669 CC=CCOc1cnc(c(c1)F)Cl 34a_100000063512_100000070051 [0,3,0,0,0,0|1,0,0]=4 18041 B13R1.669 CC=CCOc1cnc(c(c1)F)Cl 7a_100000063512_100000070051 [0,3,0,0,0,0|1,0,0]=4 18042 B13R1.669 CC=CCSc1ccc(c(c1)Br)Br 62a_100000070051_100012356285 [0,3,0,0,0,0|0,1,0]=4 18043 B13R1.669 CC=CCSc1ccc(c(c1)Br)Br 62a_100012356285_100000070051 [0,3,0,0,0,0|0,1,0]=4 18044 B13R1.669 CC=CCSc1ccc(c(c1)Br)C 62a_100000070051_100011847877 [0,3,0,0,0,0|0,1,0]=4 18045 B13R1.669 CC=CCSc1ccc(c(c1)Br)C 62a_100011847877_100000070051 [0,3,0,0,0,0|0,1,0]=4 18046 B13R1.669 CC=CCSc1ccc(c(c1)Br)Cl 62a_100000070051_100012353702 [0,3,0,0,0,0|0,1,0]=4 18047 B13R1.669 CC=CCSc1ccc(c(c1)Br)Cl 62a_100012353702_100000070051 [0,3,0,0,0,0|0,1,0]=4 18048 B13R1.669 CC=CCSc1ccc(c(c1)Br)F 62a_100000070051_100012047266 [0,3,0,0,0,0|0,1,0]=4 18049 B13R1.669 CC=CCSc1ccc(c(c1)Br)F 62a_100012047266_100000070051 [0,3,0,0,0,0|0,1,0]=4 18050 B13R1.669 CC=CCSc1ccc(c(c1)Br)N 62a_100000070051_100000750455 [0,3,0,0,0,0|0,1,0]=4 18051 B13R1.669 CC=CCSc1ccc(c(c1)Br)N 62a_100000750455_100000070051 [0,3,0,0,0,0|0,1,0]=4 18052 B13R1.669 CC=CCSc1ccc(c(c1)Br)O 62a_100000070051_100012361655 [0,3,0,0,0,0|0,1,0]=4 18053 B13R1.669 CC=CCSc1ccc(c(c1)Br)O 62a_100012361655_100000070051 [0,3,0,0,0,0|0,1,0]=4 18054 B13R1.669 CC=CCSc1ccc(c(c1)C)Br 62a_100000070051_100009813585 [0,3,0,0,0,0|0,1,0]=4 18055 B13R1.669 CC=CCSc1ccc(c(c1)C)Br 62a_100009813585_100000070051 [0,3,0,0,0,0|0,1,0]=4 18056 B13R1.669 CC=CCSc1ccc(c(c1)C)C 62a_100000070051_100011215607 [0,3,0,0,0,0|0,1,0]=4 18057 B13R1.669 CC=CCSc1ccc(c(c1)C)C 62a_100011215607_100000070051 [0,3,0,0,0,0|0,1,0]=4 18058 B13R1.669 CC=CCSc1ccc(c(c1)C)Cl 62a_100000049509_100000070051 [0,3,0,0,0,0|0,1,0]=4 18059 B13R1.669 CC=CCSc1ccc(c(c1)C)Cl 62a_100000070051_100000049509 [0,3,0,0,0,0|0,1,0]=4 18060 B13R1.669 CC=CCSc1ccc(c(c1)C)F 62a_100000070051_100011218330 [0,3,0,0,0,0|0,1,0]=4 18061 B13R1.669 CC=CCSc1ccc(c(c1)C)F 62a_100011218330_100000070051 [0,3,0,0,0,0|0,1,0]=4 18062 B13R1.669 CC=CCSc1ccc(c(c1)C)N 62a_100000070051_100000211769 [0,3,0,0,0,0|0,1,0]=4 18063 B13R1.669 CC=CCSc1ccc(c(c1)C)N 62a_100000211769_100000070051 [0,3,0,0,0,0|0,1,0]=4 18064 B13R1.669 CC=CCSc1ccc(c(c1)C)O 62a_100000070051_100000186361 [0,3,0,0,0,0|0,1,0]=4 18065 B13R1.669 CC=CCSc1ccc(c(c1)Cl)Br 62a_100000070051_100012047281 [0,3,0,0,0,0|0,1,0]=4 18066 B13R1.669 CC=CCSc1ccc(c(c1)Cl)Br 62a_100012047281_100000070051 [0,3,0,0,0,0|0,1,0]=4 18067 B13R1.669 CC=CCSc1ccc(c(c1)Cl)C 62a_100000070051_100011216363 [0,3,0,0,0,0|0,1,0]=4 18068 B13R1.669 CC=CCSc1ccc(c(c1)Cl)C 62a_100011216363_100000070051 [0,3,0,0,0,0|0,1,0]=4 18069 B13R1.669 CC=CCSc1ccc(c(c1)Cl)Cl 62a_100000070051_100011214914 [0,3,0,0,0,0|0,1,0]=4 18070 B13R1.669 CC=CCSc1ccc(c(c1)Cl)Cl 62a_100011214914_100000070051 [0,3,0,0,0,0|0,1,0]=4 18071 B13R1.669 CC=CCSc1ccc(c(c1)Cl)F 62a_100000070051_100011215976 [0,3,0,0,0,0|0,1,0]=4 18072 B13R1.669 CC=CCSc1ccc(c(c1)Cl)F 62a_100011215976_100000070051 [0,3,0,0,0,0|0,1,0]=4 18073 B13R1.669 CC=CCSc1ccc(c(c1)Cl)N 62a_100000070051_100011218065 [0,3,0,0,0,0|0,1,0]=4 18074 B13R1.669 CC=CCSc1ccc(c(c1)Cl)N 62a_100011218065_100000070051 [0,3,0,0,0,0|0,1,0]=4 18075 B13R1.669 CC=CCSc1ccc(c(c1)Cl)O 62a_100000070051_100012360047 [0,3,0,0,0,0|0,1,0]=4 18076 B13R1.669 CC=CCSc1ccc(c(c1)Cl)O 62a_100012360047_100000070051 [0,3,0,0,0,0|0,1,0]=4 18077 B13R1.669 CC=CCSc1ccc(c(c1)F)Br 62a_100000070051_100000685389 [0,3,0,0,0,0|0,1,0]=4 18078 B13R1.669 CC=CCSc1ccc(c(c1)F)Br 62a_100000685389_100000070051 [0,3,0,0,0,0|0,1,0]=4 18079 B13R1.669 CC=CCSc1ccc(c(c1)F)C 62a_100000070051_100000720648 [0,3,0,0,0,0|0,1,0]=4 18080 B13R1.669 CC=CCSc1ccc(c(c1)F)C 62a_100000720648_100000070051 [0,3,0,0,0,0|0,1,0]=4 18081 B13R1.669 CC=CCSc1ccc(c(c1)F)Cl 62a_100000070051_100011216805 [0,3,0,0,0,0|0,1,0]=4 18082 B13R1.669 CC=CCSc1ccc(c(c1)F)Cl 62a_100011216805_100000070051 [0,3,0,0,0,0|0,1,0]=4 18083 B13R1.669 CC=CCSc1ccc(c(c1)F)F 62a_100000070051_100000703953 [0,3,0,0,0,0|0,1,0]=4 18084 B13R1.669 CC=CCSc1ccc(c(c1)F)F 62a_100000703953_100000070051 [0,3,0,0,0,0|0,1,0]=4 18085 B13R1.669 CC=CCSc1ccc(c(c1)F)N 62a_100000070051_100011215594 [0,3,0,0,0,0|0,1,0]=4 18086 B13R1.669 CC=CCSc1ccc(c(c1)F)N 62a_100011215594_100000070051 [0,3,0,0,0,0|0,1,0]=4 18087 B13R1.669 CC=CCSc1ccc(c(c1)F)O 62a_100000070051_100000185481 [0,3,0,0,0,0|0,1,0]=4 18088 B13R1.669 CC=CCSc1ccc(c(c1)F)O 62a_100000185481_100000070051 [0,3,0,0,0,0|0,1,0]=4 18089 B13R1.669 CC=CCSc1ccc(c(c1)N)Br 62a_100000070051_100000750456 [0,3,0,0,0,0|0,1,0]=4 18090 B13R1.669 CC=CCSc1ccc(c(c1)N)Br 62a_100000750456_100000070051 [0,3,0,0,0,0|0,1,0]=4 18091 B13R1.669 CC=CCSc1ccc(c(c1)N)C 62a_100000070051_100000761890 [0,3,0,0,0,0|0,1,0]=4 18092 B13R1.669 CC=CCSc1ccc(c(c1)N)C 62a_100000761890_100000070051 [0,3,0,0,0,0|0,1,0]=4 18093 B13R1.669 CC=CCSc1ccc(c(c1)N)Cl 62a_100000070051_200000761891 [0,3,0,0,0,0|0,1,0]=4 18094 B13R1.669 CC=CCSc1ccc(c(c1)N)Cl 62a_200000761891_100000070051 [0,3,0,0,0,0|0,1,0]=4 18095 B13R1.669 CC=CCSc1ccc(c(c1)N)F 62a_100000070051_100000740924 [0,3,0,0,0,0|0,1,0]=4 18096 B13R1.669 CC=CCSc1ccc(c(c1)N)F 62a_100000740924_100000070051 [0,3,0,0,0,0|0,1,0]=4 18097 B13R1.669 CC=CCSc1ccc(c(c1)N)N 62a_100000070051_100011534411 [0,3,0,0,0,0|0,1,0]=4 18098 B13R1.669 CC=CCSc1ccc(c(c1)N)N 62a_100000741789_100000070051 [0,3,0,0,0,0|0,1,0]=4 18099 B13R1.669 CC=CCSc1ccc(c(c1)N)O 62a_100000070051_100000752626 [0,3,0,0,0,0|0,1,0]=4 18100 B13R1.669 CC=CCSc1ccc(c(c1)N)O 62a_100000752626_100000070051 [0,3,0,0,0,0|0,1,0]=4 18101 B13R1.669 CC=CCSc1ccc(c(c1)O)Br 62a_100000070051_100012356990 [0,3,0,0,0,0|0,1,0]=4 18102 B13R1.669 CC=CCSc1ccc(c(c1)O)Br 62a_100012356990_100000070051 [0,3,0,0,0,0|0,1,0]=4 18103 B13R1.669 CC=CCSc1ccc(c(c1)O)C 62a_100000070051_100000685420 [0,3,0,0,0,0|0,1,0]=4 18104 B13R1.669 CC=CCSc1ccc(c(c1)O)C 62a_100000685420_100000070051 [0,3,0,0,0,0|0,1,0]=4 18105 B13R1.669 CC=CCSc1ccc(c(c1)O)Cl 62a_100000070051_100011356854 [0,3,0,0,0,0|0,1,0]=4 18106 B13R1.669 CC=CCSc1ccc(c(c1)O)Cl 62a_100011356854_100000070051 [0,3,0,0,0,0|0,1,0]=4 18107 B13R1.669 CC=CCSc1ccc(c(c1)O)F 62a_100000070051_100000686035 [0,3,0,0,0,0|0,1,0]=4 18108 B13R1.669 CC=CCSc1ccc(c(c1)O)F 62a_100000686035_100000070051 [0,3,0,0,0,0|0,1,0]=4 18109 B13R1.669 CC=CCSc1ccc(c(c1)O)N 62a_100000070051_100000739049 [0,3,0,0,0,0|0,1,0]=4 18110 B13R1.669 CC=CCSc1ccc(c(c1)O)N 62a_100000739049_100000070051 [0,3,0,0,0,0|0,1,0]=4 18111 B13R1.669 CC=CCSc1ccc(c(c1)O)O 62a_100000070051_100009813601 [0,3,0,0,0,0|0,1,0]=4 18112 B13R1.669 Cc1cc(ccc1Br)COCC=O 34a_100000718852_200009817547 [0,3,0,0,0,0|1,0,0]=4 18113 B13R1.669 Cc1cc(ccc1Br)COCC=O 7a_100000718852_200015260668 [0,3,0,0,0,0|1,0,0]=4 18114 B13R1.669 Cc1cc(ccc1F)COCC=O 34a_100011219793_200009817547 [0,3,0,0,0,0|1,0,0]=4 18115 B13R1.669 Cc1cc(ccc1F)COCC=O 7a_100011219793_200015260668 [0,3,0,0,0,0|1,0,0]=4 18116 B13R1.669 Cc1cc(ccc1N)COCC=O 34a_200011997030_200009817547 [0,3,0,0,0,0|1,0,0]=4 18117 B13R1.669 Cc1ccc(cc1Br)COCC=O 34a_100000708995_200009817547 [0,3,0,0,0,0|1,0,0]=4 18118 B13R1.669 Cc1ccc(cc1Br)COCC=O 7a_100000708995_200015260668 [0,3,0,0,0,0|1,0,0]=4 18119 B13R1.669 Cc1ccc(cc1C)COCC=O 34a_100011215342_200009817547 [0,3,0,0,0,0|1,0,0]=4 18120 B13R1.669 Cc1ccc(cc1C)COCC=O 7a_100011215342_200015260668 [0,3,0,0,0,0|1,0,0]=4 18121 B13R1.669 Cc1ccc(cc1Cl)COCC=O 34a_100011290783_200009817547 [0,3,0,0,0,0|1,0,0]=4 18122 B13R1.669 Cc1ccc(cc1Cl)COCC=O 7a_100011290783_200015260668 [0,3,0,0,0,0|1,0,0]=4 18123 B13R1.669 Cc1ccc(cc1F)COCC=O 34a_100000702247_200009817547 [0,3,0,0,0,0|1,0,0]=4 18124 B13R1.669 Cc1ccc(cc1F)COCC=O 7a_100000702247_200015260668 [0,3,0,0,0,0|1,0,0]=4 18125 B13R1.669 Cc1ccc(cc1I)COCC=O 34a_100000050133_200009817547 [0,3,0,0,0,0|1,0,0]=4 18126 B13R1.669 Cc1ccc(cc1I)COCC=O 7a_100000050133_200015260668 [0,3,0,0,0,0|1,0,0]=4 18127 B13R1.669 Cc1ccc(cc1N)COCC=O 34a_100000758420_200009817547 [0,3,0,0,0,0|1,0,0]=4 18128 B13R1.669 Nc1cc(ccc1Br)COCC=O 34a_100012347568_200009817547 [0,3,0,0,0,0|1,0,0]=4 18129 B13R1.669 Nc1cc(ccc1Cl)COCC=O 34a_106256033963_200009817547 [0,3,0,0,0,0|1,0,0]=4 18130 B13R1.669 Nc1cc(ccc1F)COCC=O 34a_102125399562_200009817547 [0,3,0,0,0,0|1,0,0]=4 18131 B13R1.669 Nc1ccc(cc1F)COCC=O 34a_100011217239_200009817547 [0,3,0,0,0,0|1,0,0]=4 18132 B13R1.669 O=CCOCc1ccc(c(c1)Br)Cl 34a_100012353893_200009817547 [0,3,0,0,0,0|1,0,0]=4 18133 B13R1.669 O=CCOCc1ccc(c(c1)Br)Cl 7a_100012353893_200015260668 [0,3,0,0,0,0|1,0,0]=4 18134 B13R1.669 O=CCOCc1ccc(c(c1)Br)F 34a_100000246287_200009817547 [0,3,0,0,0,0|1,0,0]=4 18135 B13R1.669 O=CCOCc1ccc(c(c1)Br)F 7a_100000246287_200015260668 [0,3,0,0,0,0|1,0,0]=4 18136 B13R1.669 O=CCOCc1ccc(c(c1)Cl)Br 34a_100000709168_200009817547 [0,3,0,0,0,0|1,0,0]=4 18137 B13R1.669 O=CCOCc1ccc(c(c1)Cl)Br 7a_100000709168_200015260668 [0,3,0,0,0,0|1,0,0]=4 18138 B13R1.669 O=CCOCc1ccc(c(c1)Cl)Cl 34a_100000211588_200009817547 [0,3,0,0,0,0|1,0,0]=4 18139 B13R1.669 O=CCOCc1ccc(c(c1)Cl)Cl 7a_100000211588_200015260668 [0,3,0,0,0,0|1,0,0]=4 18140 B13R1.669 O=CCOCc1ccc(c(c1)Cl)F 34a_100011217911_200009817547 [0,3,0,0,0,0|1,0,0]=4 18141 B13R1.669 O=CCOCc1ccc(c(c1)Cl)F 7a_100011217911_200015260668 [0,3,0,0,0,0|1,0,0]=4 18142 B13R1.669 O=CCOCc1ccc(c(c1)Cl)I 34a_100000718186_200009817547 [0,3,0,0,0,0|1,0,0]=4 18143 B13R1.669 O=CCOCc1ccc(c(c1)Cl)I 7a_100000718186_200015260668 [0,3,0,0,0,0|1,0,0]=4 18144 B13R1.669 O=CCOCc1ccc(c(c1)F)Br 34a_100011533735_200009817547 [0,3,0,0,0,0|1,0,0]=4 18145 B13R1.669 O=CCOCc1ccc(c(c1)F)Br 7a_100011533735_200015260668 [0,3,0,0,0,0|1,0,0]=4 18146 B13R1.669 O=CCOCc1ccc(c(c1)F)Cl 34a_100011218299_200009817547 [0,3,0,0,0,0|1,0,0]=4 18147 B13R1.669 O=CCOCc1ccc(c(c1)F)Cl 7a_100011218299_200015260668 [0,3,0,0,0,0|1,0,0]=4 18148 B13R1.669 O=CCOCc1ccc(c(c1)F)F 34a_100011215442_200009817547 [0,3,0,0,0,0|1,0,0]=4 18149 B13R1.669 O=CCOCc1ccc(c(c1)F)F 7a_100011215442_200015260668 [0,3,0,0,0,0|1,0,0]=4 18150 B13R1.669 O=CCOCc1ccc(c(c1)F)I 34a_100010149597_200009817547 [0,3,0,0,0,0|1,0,0]=4 18151 B13R1.669 O=CCOCc1ccc(c(c1)F)I 7a_100010149597_200015260668 [0,3,0,0,0,0|1,0,0]=4 18152 B13R1.669 O=CCOCc1ccc(c(c1)I)F 34a_100000049585_200009817547 [0,3,0,0,0,0|1,0,0]=4 18153 B13R1.669 O=CCOCc1ccc(c(c1)I)F 7a_100000049585_200015260668 [0,3,0,0,0,0|1,0,0]=4 18154 B13R1.1 C=CCC(OC)c1ccc(cc1)Br 34a_100011466436_200000210301 [0,3,0,0,0,0|1,0,0]=4 18155 B13R1.1 C=CCC(OC)c1ccc(cc1)Br 7a_100011466436_200000210301 [0,3,0,0,0,0|1,0,0]=4 18156 B13R1.1 C=CCC(OC)c1ccc(cc1)Cl 34a_200011466439_200000210301 [0,3,0,0,0,0|1,0,0]=4 18157 B13R1.1 C=CCC(OC)c1ccc(cc1)Cl 7a_200011466439_200000210301 [0,3,0,0,0,0|1,0,0]=4 18158 B13R1.1 C=CCC(O[13CH3])c1ccc(cc1)Br 34a_100011466436_200025704644 [0,3,0,0,0,0|1,0,0]=4 18159 B13R1.1 C=CCC(O[13CH3])c1ccc(cc1)Br 7a_100011466436_200025704644 [0,3,0,0,0,0|1,0,0]=4 18160 B13R1.1 C=CCC(O[13CH3])c1ccc(cc1)Cl 34a_200011466439_200025704644 [0,3,0,0,0,0|1,0,0]=4 18161 B13R1.1 C=CCC(O[13CH3])c1ccc(cc1)Cl 7a_200011466439_200025704644 [0,3,0,0,0,0|1,0,0]=4 18162 B13R1.1 C=CCN(CC)c1ccc(cc1)Br 2230a_100000219632_100000210623 [0,3,0,0,0,0|1,0,0]=4 18163 B13R1.1 C=CCN(CC)c1ccc(cc1)Br 269982a_100000219632_100000210623 [0,3,0,0,0,0|1,0,0]=4 18164 B13R1.1 C=CCN(CC)c1ccc(cc1)Br 34a_100000219632_100015514636 [0,3,0,0,0,0|1,0,0]=4 18165 B13R1.1 C=CCN(CC)c1ccc(cc1)C 2230a_100000219985_100000210623 [0,3,0,0,0,0|1,0,0]=4 18166 B13R1.1 C=CCN(CC)c1ccc(cc1)C 269982a_100000219985_100000210623 [0,3,0,0,0,0|1,0,0]=4 18167 B13R1.1 C=CCN(CC)c1ccc(cc1)C 34a_100000219985_100015514636 [0,3,0,0,0,0|1,0,0]=4 18168 B13R1.1 C=CCN(CC)c1ccc(cc1)Cl 2230a_100000220165_100000210623 [0,3,0,0,0,0|1,0,0]=4 18169 B13R1.1 C=CCN(CC)c1ccc(cc1)Cl 269982a_100000220165_100000210623 [0,3,0,0,0,0|1,0,0]=4 18170 B13R1.1 C=CCN(CC)c1ccc(cc1)Cl 34a_100000220165_100015514636 [0,3,0,0,0,0|1,0,0]=4 18171 B13R1.1 C=CCN(CC)c1ccc(cc1)F 2230a_100102640331_100000210623 [0,3,0,0,0,0|1,0,0]=4 18172 B13R1.1 C=CCN(CC)c1ccc(cc1)F 269982a_100102640331_100000210623 [0,3,0,0,0,0|1,0,0]=4 18173 B13R1.1 C=CCN(CC)c1ccc(cc1)F 34a_100102640331_100015514636 [0,3,0,0,0,0|1,0,0]=4 18174 B13R1.1 C=CCN(CC)c1ccc(cc1)O 2230a_100011337800_100000210623 [0,3,0,0,0,0|1,0,0]=4 18175 B13R1.1 C=CCN(CC)c1ccc(cc1)O 269982a_100011337800_100000210623 [0,3,0,0,0,0|1,0,0]=4 18176 B13R1.1 C=CCN(CC)c1ccc(cc1)O 34a_100011337800_100015514636 [0,3,0,0,0,0|1,0,0]=4 18177 B13R1.21 C=CC(C)N(C)c1ccc(cc1)Br 269982a_100000219623_100011215867 [0,3,0,0,0,0|1,0,0]=4 18178 B13R1.21 C=CC(C)N(C)c1ccc(cc1)C 269982a_100000219977_100011215867 [0,3,0,0,0,0|1,0,0]=4 18179 B13R1.21 C=CC(C)N(C)c1ccc(cc1)Cl 269982a_100020629279_100011215867 [0,3,0,0,0,0|1,0,0]=4 18180 B13R1.21 C=CC(C)N(C)c1ccc(cc1)F 269982a_100000219829_100011215867 [0,3,0,0,0,0|1,0,0]=4 18181 B13R1.21 C=CC(C)N(C)c1ccc(cc1)I 269982a_100000743151_100011215867 [0,3,0,0,0,0|1,0,0]=4 18182 B13R1.21 C=CC(C)N(C)c1ccc(cc1)O 269982a_100000182112_100011215867 [0,3,0,0,0,0|1,0,0]=4 18183 B13R1.132 C=C(C)CC(=O)c1ccc(cc1)Br 1458a_100000185839_100000748629 [0,3,0,0,0,0|1,0,0]=4 18184 B13R1.132 C=C(C)CC(=O)c1ccc(cc1)C 1458a_100000188618_100000748629 [0,3,0,0,0,0|1,0,0]=4 18185 B13R1.132 C=C(C)CC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000748629 [0,3,0,0,0,0|1,0,0]=4 18186 B13R1.132 C=C(C)CC(=O)c1ccc(cc1)F 1458a_100000187176_100000748629 [0,3,0,0,0,0|1,0,0]=4 18187 B13R1.132 C=C(C)CC(=O)c1ccc(cc1)I 1458a_100000187904_100000748629 [0,3,0,0,0,0|1,0,0]=4 18188 B13R1.132 C=C(C)CC(=O)c1ccc(cc1)O 1458a_100000212099_100000748629 [0,3,0,0,0,0|1,0,0]=4 18189 B13R1.132 C=C(C)CN(C)c1ccc(cc1)Br 2230a_100000219623_100000748629 [0,3,0,0,0,0|1,0,0]=4 18190 B13R1.132 C=C(C)CN(C)c1ccc(cc1)Br 269982a_100000219623_100000748629 [0,3,0,0,0,0|1,0,0]=4 18191 B13R1.132 C=C(C)CN(C)c1ccc(cc1)Br 34a_100000219623_100000748629 [0,3,0,0,0,0|1,0,0]=4 18192 B13R1.132 C=C(C)CN(C)c1ccc(cc1)C 2230a_100000219977_100000748629 [0,3,0,0,0,0|1,0,0]=4 18193 B13R1.132 C=C(C)CN(C)c1ccc(cc1)C 269982a_100000219977_100000748629 [0,3,0,0,0,0|1,0,0]=4 18194 B13R1.132 C=C(C)CN(C)c1ccc(cc1)C 34a_100000219977_100000748629 [0,3,0,0,0,0|1,0,0]=4 18195 B13R1.132 C=C(C)CN(C)c1ccc(cc1)Cl 2230a_100020629279_100000748629 [0,3,0,0,0,0|1,0,0]=4 18196 B13R1.132 C=C(C)CN(C)c1ccc(cc1)Cl 269982a_100020629279_100000748629 [0,3,0,0,0,0|1,0,0]=4 18197 B13R1.132 C=C(C)CN(C)c1ccc(cc1)Cl 34a_100020629279_100000748629 [0,3,0,0,0,0|1,0,0]=4 18198 B13R1.132 C=C(C)CN(C)c1ccc(cc1)F 2230a_100000219829_100000748629 [0,3,0,0,0,0|1,0,0]=4 18199 B13R1.132 C=C(C)CN(C)c1ccc(cc1)F 269982a_100000219829_100000748629 [0,3,0,0,0,0|1,0,0]=4 18200 B13R1.132 C=C(C)CN(C)c1ccc(cc1)F 34a_100000219829_100000748629 [0,3,0,0,0,0|1,0,0]=4 18201 B13R1.132 C=C(C)CN(C)c1ccc(cc1)I 2230a_100000743151_100000748629 [0,3,0,0,0,0|1,0,0]=4 18202 B13R1.132 C=C(C)CN(C)c1ccc(cc1)I 269982a_100000743151_100000748629 [0,3,0,0,0,0|1,0,0]=4 18203 B13R1.132 C=C(C)CN(C)c1ccc(cc1)I 34a_100000743151_100000748629 [0,3,0,0,0,0|1,0,0]=4 18204 B13R1.132 C=C(C)CN(C)c1ccc(cc1)O 269982a_100000182112_100000748629 [0,3,0,0,0,0|1,0,0]=4 18205 B13R1.132 C=C(C)CN(C)c1ccc(cc1)O 34a_100000182112_100000748629 [0,3,0,0,0,0|1,0,0]=4 18206 B13R1.132 C=C(F)CC(=O)c1ccc(cc1)Br 1458a_100000185839_100009893438 [0,3,0,0,0,0|1,0,0]=4 18207 B13R1.132 C=C(F)CC(=O)c1ccc(cc1)C 1458a_100000188618_100009893438 [0,3,0,0,0,0|1,0,0]=4 18208 B13R1.132 C=C(F)CC(=O)c1ccc(cc1)Cl 1458a_100000210187_100009893438 [0,3,0,0,0,0|1,0,0]=4 18209 B13R1.132 C=C(F)CC(=O)c1ccc(cc1)F 1458a_100000187176_100009893438 [0,3,0,0,0,0|1,0,0]=4 18210 B13R1.132 C=C(F)CC(=O)c1ccc(cc1)I 1458a_100000187904_100009893438 [0,3,0,0,0,0|1,0,0]=4 18211 B13R1.132 C=C(F)CC(=O)c1ccc(cc1)O 1458a_100000212099_100009893438 [0,3,0,0,0,0|1,0,0]=4 18212 B13R1.132 C=C(F)CN(C)c1ccc(cc1)Br 2230a_100000219623_100009893438 [0,3,0,0,0,0|1,0,0]=4 18213 B13R1.132 C=C(F)CN(C)c1ccc(cc1)Br 269982a_100000219623_100009893438 [0,3,0,0,0,0|1,0,0]=4 18214 B13R1.132 C=C(F)CN(C)c1ccc(cc1)Br 34a_100000219623_100009893438 [0,3,0,0,0,0|1,0,0]=4 18215 B13R1.132 C=C(F)CN(C)c1ccc(cc1)C 2230a_100000219977_100009893438 [0,3,0,0,0,0|1,0,0]=4 18216 B13R1.132 C=C(F)CN(C)c1ccc(cc1)C 269982a_100000219977_100009893438 [0,3,0,0,0,0|1,0,0]=4 18217 B13R1.132 C=C(F)CN(C)c1ccc(cc1)C 34a_100000219977_100009893438 [0,3,0,0,0,0|1,0,0]=4 18218 B13R1.132 C=C(F)CN(C)c1ccc(cc1)Cl 2230a_100020629279_100009893438 [0,3,0,0,0,0|1,0,0]=4 18219 B13R1.132 C=C(F)CN(C)c1ccc(cc1)Cl 269982a_100020629279_100009893438 [0,3,0,0,0,0|1,0,0]=4 18220 B13R1.132 C=C(F)CN(C)c1ccc(cc1)Cl 34a_100020629279_100009893438 [0,3,0,0,0,0|1,0,0]=4 18221 B13R1.132 C=C(F)CN(C)c1ccc(cc1)F 2230a_100000219829_100009893438 [0,3,0,0,0,0|1,0,0]=4 18222 B13R1.132 C=C(F)CN(C)c1ccc(cc1)F 269982a_100000219829_100009893438 [0,3,0,0,0,0|1,0,0]=4 18223 B13R1.132 C=C(F)CN(C)c1ccc(cc1)F 34a_100000219829_100009893438 [0,3,0,0,0,0|1,0,0]=4 18224 B13R1.132 C=C(F)CN(C)c1ccc(cc1)I 2230a_100000743151_100009893438 [0,3,0,0,0,0|1,0,0]=4 18225 B13R1.132 C=C(F)CN(C)c1ccc(cc1)I 269982a_100000743151_100009893438 [0,3,0,0,0,0|1,0,0]=4 18226 B13R1.132 C=C(F)CN(C)c1ccc(cc1)I 34a_100000743151_100009893438 [0,3,0,0,0,0|1,0,0]=4 18227 B13R1.132 C=C(F)CN(C)c1ccc(cc1)O 269982a_100000182112_100009893438 [0,3,0,0,0,0|1,0,0]=4 18228 B13R1.132 C=C(F)CN(C)c1ccc(cc1)O 34a_100000182112_100009893438 [0,3,0,0,0,0|1,0,0]=4 18229 B13R1.452 C#Cc1ccc(cc1)C(=O)CC=C 1458a_100011217615_100000210623 [0,3,0,0,0,0|1,0,0]=4 18230 B13R1.452 C=CCC(=O)c1ccc(cc1)C#N 1458a_100000210717_100000210623 [0,3,0,0,0,0|1,0,0]=4 18231 B13R1.452 C=CCC(=O)c1ccc(cc1)C=C 1458a_100000687532_100000210623 [0,3,0,0,0,0|1,0,0]=4 18232 B13R1.452 C=CCC(=O)c1ccc(cc1)CC 1458a_100000211226_100000210623 [0,3,0,0,0,0|1,0,0]=4 18233 B13R1.452 C=CCC(=O)c1ccc(cc1)CO 1458a_100000183892_100000210623 [0,3,0,0,0,0|1,0,0]=4 18234 B13R1.452 C=CCC(=O)c1ccc(cc1)OC 1458a_100000184203_100000210623 [0,3,0,0,0,0|1,0,0]=4 18235 B13R1.452 C=CCC(=O)c1ccc(cc1)SC 1458a_100000189692_100000210623 [0,3,0,0,0,0|1,0,0]=4 18236 B13R1.452 C=CCC(O)c1ccc(cc1)C=C 271570a_100011290941_100011466436 [0,3,0,0,0,0|1,0,0]=4 18237 B13R1.452 C=CCC(O)c1ccc(cc1)SC 62a_100011466436_200000210301 [0,3,0,0,0,0|1,0,0]=4 18238 B13R1.452 C=CCC(O)c1ccc(cc1)SC 62a_200000210301_100011466436 [0,3,0,0,0,0|1,0,0]=4 18239 B13R1.452 C=CCC(O)c1ccc(cc1)S[13CH3] 62a_100011466436_200025704644 [0,3,0,0,0,0|1,0,0]=4 18240 B13R1.452 C=CCC(O)c1ccc(cc1)S[13CH3] 62a_200025704644_100011466436 [0,3,0,0,0,0|1,0,0]=4 18241 B13R1.452 C=CCN(C)c1ccc(cc1)C#N 269982a_100000739737_100000210623 [0,3,0,0,0,0|1,0,0]=4 18242 B13R1.452 C=CCN(C)c1ccc(cc1)C#N 34a_100000739737_100015514636 [0,3,0,0,0,0|1,0,0]=4 18243 B13R1.452 C=CCN(C)c1ccc(cc1)OC 2230a_100000220023_100000210623 [0,3,0,0,0,0|1,0,0]=4 18244 B13R1.452 C=CCN(C)c1ccc(cc1)OC 269982a_100000220023_100000210623 [0,3,0,0,0,0|1,0,0]=4 18245 B13R1.452 C=CCN(C)c1ccc(cc1)OC 34a_100000220023_100015514636 [0,3,0,0,0,0|1,0,0]=4 18246 B13R1.466 C=CCC(=O)c1ccc(c(c1)Br)Br 1458a_100012339404_100000210623 [0,3,0,0,0,0|1,0,0]=4 18247 B13R1.466 C=CCC(=O)c1ccc(c(c1)Br)C 1458a_100000186397_100000210623 [0,3,0,0,0,0|1,0,0]=4 18248 B13R1.466 C=CCC(=O)c1ccc(c(c1)Br)Cl 1458a_100000691181_100000210623 [0,3,0,0,0,0|1,0,0]=4 18249 B13R1.466 C=CCC(=O)c1ccc(c(c1)Br)F 1458a_100000760357_100000210623 [0,3,0,0,0,0|1,0,0]=4 18250 B13R1.466 C=CCC(=O)c1ccc(c(c1)Br)I 1458a_100000739115_100000210623 [0,3,0,0,0,0|1,0,0]=4 18251 B13R1.466 C=CCC(=O)c1ccc(c(c1)Br)O 1458a_100000189672_100000210623 [0,3,0,0,0,0|1,0,0]=4 18252 B13R1.466 C=CCC(=O)c1ccc(c(c1)C)Br 1458a_100000692631_100000210623 [0,3,0,0,0,0|1,0,0]=4 18253 B13R1.466 C=CCC(=O)c1ccc(c(c1)C)C 1458a_100000210898_100000210623 [0,3,0,0,0,0|1,0,0]=4 18254 B13R1.466 C=CCC(=O)c1ccc(c(c1)C)Cl 1458a_100000686306_100000210623 [0,3,0,0,0,0|1,0,0]=4 18255 B13R1.466 C=CCC(=O)c1ccc(c(c1)C)F 1458a_100000751819_100000210623 [0,3,0,0,0,0|1,0,0]=4 18256 B13R1.466 C=CCC(=O)c1ccc(c(c1)C)I 1458a_100000751300_100000210623 [0,3,0,0,0,0|1,0,0]=4 18257 B13R1.466 C=CCC(=O)c1ccc(c(c1)C)O 1458a_100000685612_100000210623 [0,3,0,0,0,0|1,0,0]=4 18258 B13R1.466 C=CCC(=O)c1ccc(c(c1)Cl)Br 1458a_100000687082_100000210623 [0,3,0,0,0,0|1,0,0]=4 18259 B13R1.466 C=CCC(=O)c1ccc(c(c1)Cl)C 1458a_100000751740_100000210623 [0,3,0,0,0,0|1,0,0]=4 18260 B13R1.466 C=CCC(=O)c1ccc(c(c1)Cl)Cl 1458a_100000210401_100000210623 [0,3,0,0,0,0|1,0,0]=4 18261 B13R1.466 C=CCC(=O)c1ccc(c(c1)Cl)F 1458a_100000686462_100000210623 [0,3,0,0,0,0|1,0,0]=4 18262 B13R1.466 C=CCC(=O)c1ccc(c(c1)Cl)I 1458a_100000684831_100000210623 [0,3,0,0,0,0|1,0,0]=4 18263 B13R1.466 C=CCC(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_100000210623 [0,3,0,0,0,0|1,0,0]=4 18264 B13R1.466 C=CCC(=O)c1ccc(c(c1)F)Br 1458a_100000743946_100000210623 [0,3,0,0,0,0|1,0,0]=4 18265 B13R1.466 C=CCC(=O)c1ccc(c(c1)F)C 1458a_100000212313_100000210623 [0,3,0,0,0,0|1,0,0]=4 18266 B13R1.466 C=CCC(=O)c1ccc(c(c1)F)Cl 1458a_100000743183_100000210623 [0,3,0,0,0,0|1,0,0]=4 18267 B13R1.466 C=CCC(=O)c1ccc(c(c1)F)F 1458a_100000209822_100000210623 [0,3,0,0,0,0|1,0,0]=4 18268 B13R1.466 C=CCC(=O)c1ccc(c(c1)F)I 1458a_100000062624_100000210623 [0,3,0,0,0,0|1,0,0]=4 18269 B13R1.466 C=CCC(=O)c1ccc(c(c1)F)O 1458a_100000185466_100000210623 [0,3,0,0,0,0|1,0,0]=4 18270 B13R1.466 C=CCC(=O)c1ccc(c(c1)I)Br 1458a_100012343876_100000210623 [0,3,0,0,0,0|1,0,0]=4 18271 B13R1.466 C=CCC(=O)c1ccc(c(c1)I)C 1458a_100000751299_100000210623 [0,3,0,0,0,0|1,0,0]=4 18272 B13R1.466 C=CCC(=O)c1ccc(c(c1)I)Cl 1458a_100000739381_100000210623 [0,3,0,0,0,0|1,0,0]=4 18273 B13R1.466 C=CCC(=O)c1ccc(c(c1)I)F 1458a_100000688015_100000210623 [0,3,0,0,0,0|1,0,0]=4 18274 B13R1.466 C=CCC(=O)c1ccc(c(c1)I)I 1458a_100000725830_100000210623 [0,3,0,0,0,0|1,0,0]=4 18275 B13R1.466 C=CCC(=O)c1ccc(c(c1)I)O 1458a_100000037485_100000210623 [0,3,0,0,0,0|1,0,0]=4 18276 B13R1.466 C=CCC(=O)c1ccc(c(c1)O)Br 1458a_100000689001_100000210623 [0,3,0,0,0,0|1,0,0]=4 18277 B13R1.466 C=CCC(=O)c1ccc(c(c1)O)C 1458a_100000233767_100000210623 [0,3,0,0,0,0|1,0,0]=4 18278 B13R1.466 C=CCC(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_100000210623 [0,3,0,0,0,0|1,0,0]=4 18279 B13R1.466 C=CCC(=O)c1ccc(c(c1)O)F 1458a_100000035894_100000210623 [0,3,0,0,0,0|1,0,0]=4 18280 B13R1.466 C=CCC(=O)c1ccc(c(c1)O)I 1458a_100000239334_100000210623 [0,3,0,0,0,0|1,0,0]=4 18281 B13R1.466 C=CCC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000210623 [0,3,0,0,0,0|1,0,0]=4 18282 B13R1.466 C=CCN(C)c1ccc(c(c1)Br)C 2230a_100000707694_100000210623 [0,3,0,0,0,0|1,0,0]=4 18283 B13R1.466 C=CCN(C)c1ccc(c(c1)Br)C 269982a_100000707694_100000210623 [0,3,0,0,0,0|1,0,0]=4 18284 B13R1.466 C=CCN(C)c1ccc(c(c1)Br)C 34a_100000707694_100015514636 [0,3,0,0,0,0|1,0,0]=4 18285 B13R1.466 C=CCN(C)c1ccc(c(c1)Br)C 38a_100000707694_100000210623 [0,3,0,0,0,0|1,0,0]=4 18286 B13R1.466 C=CCN(C)c1ccc(c(c1)C)Br 2230a_100102888905_100000210623 [0,3,0,0,0,0|1,0,0]=4 18287 B13R1.466 C=CCN(C)c1ccc(c(c1)C)Br 269982a_100102888905_100000210623 [0,3,0,0,0,0|1,0,0]=4 18288 B13R1.466 C=CCN(C)c1ccc(c(c1)C)Br 34a_100102888905_100015514636 [0,3,0,0,0,0|1,0,0]=4 18289 B13R1.466 C=CCN(C)c1ccc(c(c1)C)Cl 2230a_114849113799_100000210623 [0,3,0,0,0,0|1,0,0]=4 18290 B13R1.466 C=CCN(C)c1ccc(c(c1)C)Cl 269982a_114849113799_100000210623 [0,3,0,0,0,0|1,0,0]=4 18291 B13R1.466 C=CCN(C)c1ccc(c(c1)C)Cl 34a_114849113799_100015514636 [0,3,0,0,0,0|1,0,0]=4 18292 B13R1.466 C=CCN(C)c1ccc(c(c1)C)F 2230a_100011756966_100000210623 [0,3,0,0,0,0|1,0,0]=4 18293 B13R1.466 C=CCN(C)c1ccc(c(c1)C)F 269982a_100011756966_100000210623 [0,3,0,0,0,0|1,0,0]=4 18294 B13R1.466 C=CCN(C)c1ccc(c(c1)C)F 34a_100011756966_100015514636 [0,3,0,0,0,0|1,0,0]=4 18295 B13R1.466 C=CCN(C)c1ccc(c(c1)C)F 38a_100011756966_100000210623 [0,3,0,0,0,0|1,0,0]=4 18296 B13R1.466 C=CCN(C)c1ccc(c(c1)C)F 7a_100011756966_100015514636 [0,3,0,0,0,0|1,0,0]=4 18297 B13R1.466 C=CCN(C)c1ccc(c(c1)Cl)C 2230a_100000220120_100000210623 [0,3,0,0,0,0|1,0,0]=4 18298 B13R1.466 C=CCN(C)c1ccc(c(c1)Cl)C 269982a_100000220120_100000210623 [0,3,0,0,0,0|1,0,0]=4 18299 B13R1.466 C=CCN(C)c1ccc(c(c1)Cl)C 34a_100000220120_100015514636 [0,3,0,0,0,0|1,0,0]=4 18300 B13R1.466 C=CCN(C)c1ccc(c(c1)Cl)C 38a_100000220120_100000210623 [0,3,0,0,0,0|1,0,0]=4 18301 B13R1.466 C=CCN(C)c1ccc(c(c1)Cl)Cl 2230a_100000219944_100000210623 [0,3,0,0,0,0|1,0,0]=4 18302 B13R1.466 C=CCN(C)c1ccc(c(c1)Cl)Cl 269982a_100000219944_100000210623 [0,3,0,0,0,0|1,0,0]=4 18303 B13R1.466 C=CCN(C)c1ccc(c(c1)Cl)Cl 34a_100000219944_100015514636 [0,3,0,0,0,0|1,0,0]=4 18304 B13R1.466 C=CCN(C)c1ccc(c(c1)Cl)F 2230a_100000697440_100000210623 [0,3,0,0,0,0|1,0,0]=4 18305 B13R1.466 C=CCN(C)c1ccc(c(c1)Cl)F 269982a_100000697440_100000210623 [0,3,0,0,0,0|1,0,0]=4 18306 B13R1.466 C=CCN(C)c1ccc(c(c1)Cl)F 34a_100000697440_100015514636 [0,3,0,0,0,0|1,0,0]=4 18307 B13R1.466 C=CCN(C)c1ccc(c(c1)Cl)F 38a_100000697440_100000210623 [0,3,0,0,0,0|1,0,0]=4 18308 B13R1.466 C=CCN(C)c1ccc(c(c1)Cl)F 7a_100000697440_100015514636 [0,3,0,0,0,0|1,0,0]=4 18309 B13R1.466 C=CCN(C)c1ccc(c(c1)F)Br 2230a_100012285320_100000210623 [0,3,0,0,0,0|1,0,0]=4 18310 B13R1.466 C=CCN(C)c1ccc(c(c1)F)Br 269982a_100012285320_100000210623 [0,3,0,0,0,0|1,0,0]=4 18311 B13R1.466 C=CCN(C)c1ccc(c(c1)F)Br 34a_100012285320_100015514636 [0,3,0,0,0,0|1,0,0]=4 18312 B13R1.466 C=CCN(C)c1ccc(c(c1)F)Br 7a_100012285320_100015514636 [0,3,0,0,0,0|1,0,0]=4 18313 B13R1.466 C=CCN(C)c1ccc(c(c1)F)C 2230a_100160572069_100000210623 [0,3,0,0,0,0|1,0,0]=4 18314 B13R1.466 C=CCN(C)c1ccc(c(c1)F)C 269982a_100160572069_100000210623 [0,3,0,0,0,0|1,0,0]=4 18315 B13R1.466 C=CCN(C)c1ccc(c(c1)F)C 34a_100160572069_100015514636 [0,3,0,0,0,0|1,0,0]=4 18316 B13R1.466 C=CCN(C)c1ccc(c(c1)F)C 38a_100160572069_100000210623 [0,3,0,0,0,0|1,0,0]=4 18317 B13R1.466 C=CCN(C)c1ccc(c(c1)F)C 7a_100160572069_100015514636 [0,3,0,0,0,0|1,0,0]=4 18318 B13R1.466 C=CCN(C)c1ccc(c(c1)F)F 2230a_100000221014_100000210623 [0,3,0,0,0,0|1,0,0]=4 18319 B13R1.466 C=CCN(C)c1ccc(c(c1)F)F 269982a_100000221014_100000210623 [0,3,0,0,0,0|1,0,0]=4 18320 B13R1.466 C=CCN(C)c1ccc(c(c1)F)F 34a_100000221014_100015514636 [0,3,0,0,0,0|1,0,0]=4 18321 B13R1.466 C=CCN(C)c1ccc(c(c1)F)F 38a_100000221014_100000210623 [0,3,0,0,0,0|1,0,0]=4 18322 B13R1.466 C=CCN(C)c1ccc(c(c1)F)F 7a_100000221014_100015514636 [0,3,0,0,0,0|1,0,0]=4 18323 B13R1.1511 C=CCC(=O)c1ccc(cc1Br)Br 1458a_100000762965_100000210623 [0,3,0,0,0,0|1,0,0]=4 18324 B13R1.1511 C=CCC(=O)c1ccc(cc1Br)C 1458a_100000685072_100000210623 [0,3,0,0,0,0|1,0,0]=4 18325 B13R1.1511 C=CCC(=O)c1ccc(cc1Br)Cl 1458a_100000766353_100000210623 [0,3,0,0,0,0|1,0,0]=4 18326 B13R1.1511 C=CCC(=O)c1ccc(cc1Br)F 1458a_100000212304_100000210623 [0,3,0,0,0,0|1,0,0]=4 18327 B13R1.1511 C=CCC(=O)c1ccc(cc1Br)I 1458a_100012360512_100000210623 [0,3,0,0,0,0|1,0,0]=4 18328 B13R1.1511 C=CCC(=O)c1ccc(cc1Br)O 1458a_100012344906_100000210623 [0,3,0,0,0,0|1,0,0]=4 18329 B13R1.1511 C=CCC(=O)c1ccc(cc1C)Br 1458a_100000741311_100000210623 [0,3,0,0,0,0|1,0,0]=4 18330 B13R1.1511 C=CCC(=O)c1ccc(cc1C)C 1458a_100000211164_100000210623 [0,3,0,0,0,0|1,0,0]=4 18331 B13R1.1511 C=CCC(=O)c1ccc(cc1C)Cl 1458a_100000688705_100000210623 [0,3,0,0,0,0|1,0,0]=4 18332 B13R1.1511 C=CCC(=O)c1ccc(cc1C)F 1458a_100000686989_100000210623 [0,3,0,0,0,0|1,0,0]=4 18333 B13R1.1511 C=CCC(=O)c1ccc(cc1C)I 1458a_100010189873_100000210623 [0,3,0,0,0,0|1,0,0]=4 18334 B13R1.1511 C=CCC(=O)c1ccc(cc1C)O 1458a_100000692822_100000210623 [0,3,0,0,0,0|1,0,0]=4 18335 B13R1.1511 C=CCC(=O)c1ccc(cc1Cl)Br 1458a_100000741628_100000210623 [0,3,0,0,0,0|1,0,0]=4 18336 B13R1.1511 C=CCC(=O)c1ccc(cc1Cl)C 1458a_100000766932_100000210623 [0,3,0,0,0,0|1,0,0]=4 18337 B13R1.1511 C=CCC(=O)c1ccc(cc1Cl)Cl 1458a_100000185840_100000210623 [0,3,0,0,0,0|1,0,0]=4 18338 B13R1.1511 C=CCC(=O)c1ccc(cc1Cl)F 1458a_100000211397_100000210623 [0,3,0,0,0,0|1,0,0]=4 18339 B13R1.1511 C=CCC(=O)c1ccc(cc1Cl)I 1458a_100000751301_100000210623 [0,3,0,0,0,0|1,0,0]=4 18340 B13R1.1511 C=CCC(=O)c1ccc(cc1Cl)O 1458a_100000702456_100000210623 [0,3,0,0,0,0|1,0,0]=4 18341 B13R1.1511 C=CCC(=O)c1ccc(cc1F)Br 1458a_100000214689_100000210623 [0,3,0,0,0,0|1,0,0]=4 18342 B13R1.1511 C=CCC(=O)c1ccc(cc1F)C 1458a_100000766033_100000210623 [0,3,0,0,0,0|1,0,0]=4 18343 B13R1.1511 C=CCC(=O)c1ccc(cc1F)Cl 1458a_100000212326_100000210623 [0,3,0,0,0,0|1,0,0]=4 18344 B13R1.1511 C=CCC(=O)c1ccc(cc1F)F 1458a_100000211022_100000210623 [0,3,0,0,0,0|1,0,0]=4 18345 B13R1.1511 C=CCC(=O)c1ccc(cc1F)I 1458a_100000037189_100000210623 [0,3,0,0,0,0|1,0,0]=4 18346 B13R1.1511 C=CCC(=O)c1ccc(cc1F)O 1458a_100000689029_100000210623 [0,3,0,0,0,0|1,0,0]=4 18347 B13R1.1511 C=CCC(=O)c1ccc(cc1I)Br 1458a_100000751167_100000210623 [0,3,0,0,0,0|1,0,0]=4 18348 B13R1.1511 C=CCC(=O)c1ccc(cc1I)C 1458a_100009999607_100000210623 [0,3,0,0,0,0|1,0,0]=4 18349 B13R1.1511 C=CCC(=O)c1ccc(cc1I)Cl 1458a_100000739380_100000210623 [0,3,0,0,0,0|1,0,0]=4 18350 B13R1.1511 C=CCC(=O)c1ccc(cc1I)F 1458a_100000739341_100000210623 [0,3,0,0,0,0|1,0,0]=4 18351 B13R1.1511 C=CCC(=O)c1ccc(cc1O)Br 1458a_100000744433_100000210623 [0,3,0,0,0,0|1,0,0]=4 18352 B13R1.1511 C=CCC(=O)c1ccc(cc1O)C 1458a_100000212137_100000210623 [0,3,0,0,0,0|1,0,0]=4 18353 B13R1.1511 C=CCC(=O)c1ccc(cc1O)Cl 1458a_100000188622_100000210623 [0,3,0,0,0,0|1,0,0]=4 18354 B13R1.1511 C=CCC(=O)c1ccc(cc1O)F 1458a_100000746061_100000210623 [0,3,0,0,0,0|1,0,0]=4 18355 B13R1.1511 C=CCC(=O)c1ccc(cc1O)I 1458a_100000091984_100000210623 [0,3,0,0,0,0|1,0,0]=4 18356 B13R1.1511 C=CCC(=O)c1ccc(cc1O)O 1458a_100000212172_100000210623 [0,3,0,0,0,0|1,0,0]=4 18357 B13R1.1511 C=CCN(C)c1ccc(cc1Br)Br 269982a_200000221195_100000210623 [0,3,0,0,0,0|1,0,0]=4 18358 B13R1.1511 C=CCN(C)c1ccc(cc1Br)Br 34a_200000221195_100015514636 [0,3,0,0,0,0|1,0,0]=4 18359 B13R1.1511 C=CCN(C)c1ccc(cc1Br)C 2230a_100000221369_100000210623 [0,3,0,0,0,0|1,0,0]=4 18360 B13R1.1511 C=CCN(C)c1ccc(cc1Br)C 269982a_100000221369_100000210623 [0,3,0,0,0,0|1,0,0]=4 18361 B13R1.1511 C=CCN(C)c1ccc(cc1Br)C 34a_100000221369_100015514636 [0,3,0,0,0,0|1,0,0]=4 18362 B13R1.1511 C=CCN(C)c1ccc(cc1Br)Cl 269982a_100020633009_100000210623 [0,3,0,0,0,0|1,0,0]=4 18363 B13R1.1511 C=CCN(C)c1ccc(cc1Br)Cl 34a_100020633009_100015514636 [0,3,0,0,0,0|1,0,0]=4 18364 B13R1.1511 C=CCN(C)c1ccc(cc1Br)F 269982a_100011246292_100000210623 [0,3,0,0,0,0|1,0,0]=4 18365 B13R1.1511 C=CCN(C)c1ccc(cc1Br)F 34a_100011246292_100015514636 [0,3,0,0,0,0|1,0,0]=4 18366 B13R1.1511 C=CCN(C)c1ccc(cc1C)Br 2230a_100000221803_100000210623 [0,3,0,0,0,0|1,0,0]=4 18367 B13R1.1511 C=CCN(C)c1ccc(cc1C)Br 269982a_100000221803_100000210623 [0,3,0,0,0,0|1,0,0]=4 18368 B13R1.1511 C=CCN(C)c1ccc(cc1C)Br 34a_100000221803_100015514636 [0,3,0,0,0,0|1,0,0]=4 18369 B13R1.1511 C=CCN(C)c1ccc(cc1C)Cl 2230a_114849113698_100000210623 [0,3,0,0,0,0|1,0,0]=4 18370 B13R1.1511 C=CCN(C)c1ccc(cc1C)Cl 269982a_114849113698_100000210623 [0,3,0,0,0,0|1,0,0]=4 18371 B13R1.1511 C=CCN(C)c1ccc(cc1C)Cl 34a_114849113698_100015514636 [0,3,0,0,0,0|1,0,0]=4 18372 B13R1.1511 C=CCN(C)c1ccc(cc1C)Cl 38a_114849113698_100000210623 [0,3,0,0,0,0|1,0,0]=4 18373 B13R1.1511 C=CCN(C)c1ccc(cc1C)O 269982a_100161107805_100000210623 [0,3,0,0,0,0|1,0,0]=4 18374 B13R1.1511 C=CCN(C)c1ccc(cc1C)O 34a_100161107805_100015514636 [0,3,0,0,0,0|1,0,0]=4 18375 B13R1.1511 C=CCN(C)c1ccc(cc1Cl)Br 269982a_100000221650_100000210623 [0,3,0,0,0,0|1,0,0]=4 18376 B13R1.1511 C=CCN(C)c1ccc(cc1Cl)Br 34a_100000221650_100015514636 [0,3,0,0,0,0|1,0,0]=4 18377 B13R1.1511 C=CCN(C)c1ccc(cc1Cl)Cl 269982a_114849113696_100000210623 [0,3,0,0,0,0|1,0,0]=4 18378 B13R1.1511 C=CCN(C)c1ccc(cc1Cl)Cl 34a_114849113696_100015514636 [0,3,0,0,0,0|1,0,0]=4 18379 B13R1.1511 C=CCN(C)c1ccc(cc1F)Br 2230a_100000743884_100000210623 [0,3,0,0,0,0|1,0,0]=4 18380 B13R1.1511 C=CCN(C)c1ccc(cc1F)Br 269982a_100000743884_100000210623 [0,3,0,0,0,0|1,0,0]=4 18381 B13R1.1511 C=CCN(C)c1ccc(cc1F)Br 34a_100000743884_100015514636 [0,3,0,0,0,0|1,0,0]=4 18382 B13R1.1511 C=CCN(C)c1ccc(cc1F)F 2230a_100020633734_100000210623 [0,3,0,0,0,0|1,0,0]=4 18383 B13R1.1511 C=CCN(C)c1ccc(cc1F)F 269982a_100020633734_100000210623 [0,3,0,0,0,0|1,0,0]=4 18384 B13R1.1511 C=CCN(C)c1ccc(cc1F)F 34a_100020633734_100015514636 [0,3,0,0,0,0|1,0,0]=4 18385 B13R1.1511 C=CCN(C)c1ccc(cc1F)F 38a_100020633734_100000210623 [0,3,0,0,0,0|1,0,0]=4 18386 B13R1.1511 C=CCN(C)c1ccc(cc1F)I 269982a_114948340911_100000210623 [0,3,0,0,0,0|1,0,0]=4 18387 B13R1.1511 C=CCN(C)c1ccc(cc1F)I 34a_114948340911_100015514636 [0,3,0,0,0,0|1,0,0]=4 18388 B13R1.1511 C=CCN(C)c1ccc(cc1F)I 38a_114948340911_100000210623 [0,3,0,0,0,0|1,0,0]=4 18389 B13R1.3 C#Cc1ccc(cc1)NCC(=C)C 34a_100011215031_100000748629 [0,3,0,0,0,0|1,0,0]=4 18390 B13R1.3 C#Cc1ccc(cc1)NCC(=C)F 34a_100011215031_100009893438 [0,3,0,0,0,0|1,0,0]=4 18391 B13R1.3 C#Cc1ccc(nc1)OCC(=C)C 34a_200009884252_100000748629 [0,3,0,0,0,0|1,0,0]=4 18392 B13R1.3 C#Cc1ccc(nc1)OCC(=C)F 34a_200009884252_100009893438 [0,3,0,0,0,0|1,0,0]=4 18393 B13R1.3 C=C(C)CNc1ccc(cc1)C#N 34a_100000185469_100000748629 [0,3,0,0,0,0|1,0,0]=4 18394 B13R1.3 C=C(C)CNc1ccc(cc1)CC 2230a_100000211069_100000748629 [0,3,0,0,0,0|1,0,0]=4 18395 B13R1.3 C=C(C)CNc1ccc(cc1)CC 34a_100000211069_100000748629 [0,3,0,0,0,0|1,0,0]=4 18396 B13R1.3 C=C(C)CNc1ccc(cc1)CO 2230a_100011215238_100000748629 [0,3,0,0,0,0|1,0,0]=4 18397 B13R1.3 C=C(C)CNc1ccc(cc1)CO 34a_100011215238_100000748629 [0,3,0,0,0,0|1,0,0]=4 18398 B13R1.3 C=C(C)CNc1ccc(cc1)OC 34a_100000184247_100000748629 [0,3,0,0,0,0|1,0,0]=4 18399 B13R1.3 C=C(C)CNc1ccc(cc1)SC 34a_100000212337_100000748629 [0,3,0,0,0,0|1,0,0]=4 18400 B13R1.3 C=C(C)COc1ccc(cc1)C#N 34a_100000210344_100000748629 [0,3,0,0,0,0|0,0,0]=3 18401 B13R1.3 C=C(C)COc1ccc(cc1)C#N 7a_100000210344_100000748629 [0,3,0,0,0,0|0,0,0]=3 18402 B13R1.3 C=C(C)COc1ccc(cc1)CC 34a_100000211359_100000748629 [0,3,0,0,0,0|0,0,0]=3 18403 B13R1.3 C=C(C)COc1ccc(cc1)CC 7a_100000211359_100000748629 [0,3,0,0,0,0|0,0,0]=3 18404 B13R1.3 C=C(C)COc1ccc(cc1)CN 34a_100000185549_100000748629 [0,3,0,0,0,0|0,0,0]=3 18405 B13R1.3 C=C(C)COc1ccc(cc1)CO 34a_100000211755_100000748629 [0,3,0,0,0,0|0,0,0]=3 18406 B13R1.3 C=C(C)COc1ccc(cc1)NC 2230a_200015186533_200000210301 [0,3,0,0,0,0|0,0,0]=3 18407 B13R1.3 C=C(C)COc1ccc(cc1)NC 34a_100000182112_100000748629 [0,3,0,0,0,0|0,0,0]=3 18408 B13R1.3 C=C(C)COc1ccc(cc1)NC 34a_200015186533_200000210301 [0,3,0,0,0,0|0,0,0]=3 18409 B13R1.3 C=C(C)COc1ccc(cc1)N[13CH3] 2230a_200015186533_200025704644 [0,3,0,0,0,0|0,0,0]=3 18410 B13R1.3 C=C(C)COc1ccc(cc1)N[13CH3] 34a_200015186533_200025704644 [0,3,0,0,0,0|0,0,0]=3 18411 B13R1.3 C=C(C)COc1ccc(cc1)OC 34a_100000210503_100000748629 [0,3,0,0,0,0|0,0,0]=3 18412 B13R1.3 C=C(C)COc1ccc(cc1)SC 34a_100000211864_100000748629 [0,3,0,0,0,0|0,0,0]=3 18413 B13R1.3 C=C(C)COc1ccc(cn1)CN 34a_100000757128_100000748629 [0,3,0,0,0,0|1,0,0]=4 18414 B13R1.3 C=C(C)COc1ccc(cn1)OC 34a_100012002028_100000748629 [0,3,0,0,0,0|1,0,0]=4 18415 B13R1.3 C=C(C)COc1ccc(nc1)C#N 34a_100011934750_100000748629 [0,3,0,0,0,0|1,0,0]=4 18416 B13R1.3 C=C(C)COc1ccc(nc1)C#N 7a_100011934750_100000748629 [0,3,0,0,0,0|1,0,0]=4 18417 B13R1.3 C=C(C)COc1ccc(nc1)CN 34a_100020605196_100000748629 [0,3,0,0,0,0|1,0,0]=4 18418 B13R1.3 C=C(C)COc1ccc(nc1)CO 34a_103436540053_100000748629 [0,3,0,0,0,0|1,0,0]=4 18419 B13R1.3 C=C(C)COc1ccc(nc1)OC 34a_100011934560_100000748629 [0,3,0,0,0,0|1,0,0]=4 18420 B13R1.3 C=C(C)CSc1ccc(cc1)C#N 62a_100000748629_100000184291 [0,3,0,0,0,0|0,1,0]=4 18421 B13R1.3 C=C(C)CSc1ccc(cc1)C=O 62a_100000188517_100000211660 [0,3,0,0,0,0|0,1,0]=4 18422 B13R1.3 C=C(C)CSc1ccc(cc1)C=O 62a_100000748629_100000188517 [0,3,0,0,0,0|0,1,0]=4 18423 B13R1.3 C=C(C)CSc1ccc(cc1)CC 62a_100000748629_100011215824 [0,3,0,0,0,0|0,1,0]=4 18424 B13R1.3 C=C(C)CSc1ccc(cc1)CC 62a_100011215824_100000211660 [0,3,0,0,0,0|0,1,0]=4 18425 B13R1.3 C=C(C)CSc1ccc(cc1)CF 62a_100000748629_100010268989 [0,3,0,0,0,0|0,1,0]=4 18426 B13R1.3 C=C(C)CSc1ccc(cc1)CF 62a_100010268989_100000211660 [0,3,0,0,0,0|0,1,0]=4 18427 B13R1.3 C=C(C)CSc1ccc(cc1)CN 62a_100000748629_100016989417 [0,3,0,0,0,0|0,1,0]=4 18428 B13R1.3 C=C(C)CSc1ccc(cc1)CN 62a_100016989417_100000211660 [0,3,0,0,0,0|0,1,0]=4 18429 B13R1.3 C=C(C)CSc1ccc(cc1)CO 62a_100000690907_100000211660 [0,3,0,0,0,0|0,1,0]=4 18430 B13R1.3 C=C(C)CSc1ccc(cc1)CO 62a_100000748629_100000690907 [0,3,0,0,0,0|0,1,0]=4 18431 B13R1.3 C=C(C)CSc1ccc(cc1)NC 62a_100000743151_100000211660 [0,3,0,0,0,0|0,1,0]=4 18432 B13R1.3 C=C(C)CSc1ccc(cc1)NC 62a_100000748629_100000743151 [0,3,0,0,0,0|0,1,0]=4 18433 B13R1.3 C=C(C)CSc1ccc(cc1)NN 62a_100000748629_100016988836 [0,3,0,0,0,0|0,1,0]=4 18434 B13R1.3 C=C(C)CSc1ccc(cc1)NN 62a_100016988836_100000211660 [0,3,0,0,0,0|0,1,0]=4 18435 B13R1.3 C=C(C)CSc1ccc(cc1)OC 62a_100000748629_100000171711 [0,3,0,0,0,0|0,1,0]=4 18436 B13R1.3 C=C(C)CSc1ccc(cc1)SC 62a_100000748629_100011263217 [0,3,0,0,0,0|0,1,0]=4 18437 B13R1.3 C=C(C)CSc1ccc(cc1)SC 62a_100011263217_100000211660 [0,3,0,0,0,0|0,1,0]=4 18438 B13R1.3 C=C(F)CNc1ccc(cc1)C#N 34a_100000185469_100009893438 [0,3,0,0,0,0|1,0,0]=4 18439 B13R1.3 C=C(F)CNc1ccc(cc1)CC 2230a_100000211069_100009893438 [0,3,0,0,0,0|1,0,0]=4 18440 B13R1.3 C=C(F)CNc1ccc(cc1)CC 34a_100000211069_100009893438 [0,3,0,0,0,0|1,0,0]=4 18441 B13R1.3 C=C(F)CNc1ccc(cc1)CO 2230a_100011215238_100009893438 [0,3,0,0,0,0|1,0,0]=4 18442 B13R1.3 C=C(F)CNc1ccc(cc1)CO 34a_100011215238_100009893438 [0,3,0,0,0,0|1,0,0]=4 18443 B13R1.3 C=C(F)CNc1ccc(cc1)OC 34a_100000184247_100009893438 [0,3,0,0,0,0|1,0,0]=4 18444 B13R1.3 C=C(F)CNc1ccc(cc1)SC 34a_100000212337_100009893438 [0,3,0,0,0,0|1,0,0]=4 18445 B13R1.3 C=C(F)COc1ccc(cc1)C#N 34a_100000210344_100009893438 [0,3,0,0,0,0|0,0,0]=3 18446 B13R1.3 C=C(F)COc1ccc(cc1)C#N 7a_100000210344_100000042424 [0,3,0,0,0,0|0,0,0]=3 18447 B13R1.3 C=C(F)COc1ccc(cc1)CC 34a_100000211359_100009893438 [0,3,0,0,0,0|0,0,0]=3 18448 B13R1.3 C=C(F)COc1ccc(cc1)CC 7a_100000211359_100000042424 [0,3,0,0,0,0|0,0,0]=3 18449 B13R1.3 C=C(F)COc1ccc(cc1)CN 34a_100000185549_100009893438 [0,3,0,0,0,0|0,0,0]=3 18450 B13R1.3 C=C(F)COc1ccc(cc1)CO 34a_100000211755_100009893438 [0,3,0,0,0,0|0,0,0]=3 18451 B13R1.3 C=C(F)COc1ccc(cc1)NC 34a_100000182112_100009893438 [0,3,0,0,0,0|0,0,0]=3 18452 B13R1.3 C=C(F)COc1ccc(cc1)OC 34a_100000210503_100009893438 [0,3,0,0,0,0|0,0,0]=3 18453 B13R1.3 C=C(F)COc1ccc(cc1)SC 34a_100000211864_100009893438 [0,3,0,0,0,0|0,0,0]=3 18454 B13R1.3 C=C(F)COc1ccc(cn1)CN 34a_100000757128_100009893438 [0,3,0,0,0,0|1,0,0]=4 18455 B13R1.3 C=C(F)COc1ccc(cn1)OC 34a_100012002028_100009893438 [0,3,0,0,0,0|1,0,0]=4 18456 B13R1.3 C=C(F)COc1ccc(nc1)C#N 34a_100011934750_100009893438 [0,3,0,0,0,0|1,0,0]=4 18457 B13R1.3 C=C(F)COc1ccc(nc1)C#N 7a_100011934750_100000042424 [0,3,0,0,0,0|1,0,0]=4 18458 B13R1.3 C=C(F)COc1ccc(nc1)CN 34a_100020605196_100009893438 [0,3,0,0,0,0|1,0,0]=4 18459 B13R1.3 C=C(F)COc1ccc(nc1)CO 34a_103436540053_100009893438 [0,3,0,0,0,0|1,0,0]=4 18460 B13R1.3 C=C(F)COc1ccc(nc1)OC 34a_100011934560_100009893438 [0,3,0,0,0,0|1,0,0]=4 18461 B13R1.3 C=C(F)CSc1ccc(cc1)C#N 62a_100000042424_100000184291 [0,3,0,0,0,0|0,1,0]=4 18462 B13R1.3 C=C(F)CSc1ccc(cc1)C=O 62a_100000042424_100000188517 [0,3,0,0,0,0|0,1,0]=4 18463 B13R1.3 C=C(F)CSc1ccc(cc1)C=O 62a_100000188517_100000042424 [0,3,0,0,0,0|0,1,0]=4 18464 B13R1.3 C=C(F)CSc1ccc(cc1)CC 62a_100000042424_100011215824 [0,3,0,0,0,0|0,1,0]=4 18465 B13R1.3 C=C(F)CSc1ccc(cc1)CC 62a_100011215824_100000042424 [0,3,0,0,0,0|0,1,0]=4 18466 B13R1.3 C=C(F)CSc1ccc(cc1)CF 62a_100000042424_100010268989 [0,3,0,0,0,0|0,1,0]=4 18467 B13R1.3 C=C(F)CSc1ccc(cc1)CF 62a_100010268989_100000042424 [0,3,0,0,0,0|0,1,0]=4 18468 B13R1.3 C=C(F)CSc1ccc(cc1)CN 62a_100000042424_100016989417 [0,3,0,0,0,0|0,1,0]=4 18469 B13R1.3 C=C(F)CSc1ccc(cc1)CN 62a_100016989417_100000042424 [0,3,0,0,0,0|0,1,0]=4 18470 B13R1.3 C=C(F)CSc1ccc(cc1)CO 62a_100000042424_100000690907 [0,3,0,0,0,0|0,1,0]=4 18471 B13R1.3 C=C(F)CSc1ccc(cc1)CO 62a_100000690907_100000042424 [0,3,0,0,0,0|0,1,0]=4 18472 B13R1.3 C=C(F)CSc1ccc(cc1)NC 62a_100000042424_100000743151 [0,3,0,0,0,0|0,1,0]=4 18473 B13R1.3 C=C(F)CSc1ccc(cc1)NC 62a_100000743151_100000042424 [0,3,0,0,0,0|0,1,0]=4 18474 B13R1.3 C=C(F)CSc1ccc(cc1)NN 62a_100000042424_100016988836 [0,3,0,0,0,0|0,1,0]=4 18475 B13R1.3 C=C(F)CSc1ccc(cc1)NN 62a_100016988836_100000042424 [0,3,0,0,0,0|0,1,0]=4 18476 B13R1.3 C=C(F)CSc1ccc(cc1)OC 62a_100000042424_100000171711 [0,3,0,0,0,0|0,1,0]=4 18477 B13R1.3 C=C(F)CSc1ccc(cc1)SC 62a_100000042424_100011263217 [0,3,0,0,0,0|0,1,0]=4 18478 B13R1.3 C=C(F)CSc1ccc(cc1)SC 62a_100011263217_100000042424 [0,3,0,0,0,0|0,1,0]=4 18479 B13R1.3 C=Cc1ccc(cc1)NCC(=C)C 34a_100011218248_100000748629 [0,3,0,0,0,0|1,0,0]=4 18480 B13R1.3 C=Cc1ccc(cc1)NCC(=C)F 34a_100011218248_100009893438 [0,3,0,0,0,0|1,0,0]=4 18481 B13R1.3 C=Cc1ccc(cc1)OCC(=C)C 34a_100000189437_100000748629 [0,3,0,0,0,0|0,0,0]=3 18482 B13R1.3 C=Cc1ccc(cc1)OCC(=C)C 7a_100000189437_100000748629 [0,3,0,0,0,0|0,0,0]=3 18483 B13R1.3 C=Cc1ccc(cc1)OCC(=C)F 34a_100000189437_100009893438 [0,3,0,0,0,0|0,0,0]=3 18484 B13R1.3 C=Cc1ccc(cc1)OCC(=C)F 7a_100000189437_100000042424 [0,3,0,0,0,0|0,0,0]=3 18485 B13R1.3 C=Cc1ccc(cc1)OCC(=O)N 34a_100000189437_100000187820 [0,3,0,0,0,0|1,0,0]=4 18486 B13R1.3 C=Cc1ccc(cc1)OCC(=O)N 7a_100000189437_100000187820 [0,3,0,0,0,0|1,0,0]=4 18487 B13R1.3 C=Cc1ccc(cc1)OCC(=O)[O-] 34a_100000189437_100020667443 [0,3,0,0,0,0|1,0,0]=4 18488 B13R1.3 C=Cc1ccc(cc1)SCC(=C)C 62a_100000748128_100000211660 [0,3,0,0,0,0|0,1,0]=4 18489 B13R1.3 C=Cc1ccc(cc1)SCC(=C)C 62a_100000748629_100000748128 [0,3,0,0,0,0|0,1,0]=4 18490 B13R1.3 C=Cc1ccc(cc1)SCC(=C)F 62a_100000042424_100000748128 [0,3,0,0,0,0|0,1,0]=4 18491 B13R1.3 C=Cc1ccc(cc1)SCC(=C)F 62a_100000748128_100000042424 [0,3,0,0,0,0|0,1,0]=4 18492 B13R1.3 CC(=O)COc1ccc(cc1)C#N 1458a_100000182482_200000210301 [0,3,0,0,0,0|0,0,1]=4 18493 B13R1.3 CC(=O)COc1ccc(cc1)CO 1458a_100000730898_200000210301 [0,3,0,0,0,0|0,0,1]=4 18494 B13R1.3 CCc1ccc(cc1)OCC(=O)C 1458a_100000182499_200000210301 [0,3,0,0,0,0|0,0,1]=4 18495 B13R1.3 CCc1ccc(cc1)OCC(=O)N 34a_100000211359_100000187820 [0,3,0,0,0,0|1,0,0]=4 18496 B13R1.3 CCc1ccc(cc1)OCC(=O)N 7a_100000211359_100000187820 [0,3,0,0,0,0|1,0,0]=4 18497 B13R1.3 CCc1ccc(cc1)OCC(=O)[13CH3] 1458a_100000182499_200025704644 [0,3,0,0,0,0|0,0,1]=4 18498 B13R1.3 CCc1ccc(cc1)OCC(=O)[O-] 34a_100000211359_100020667443 [0,3,0,0,0,0|1,0,0]=4 18499 B13R1.3 CNc1ccc(cc1)OCC(=O)N 2230a_100000238760_200000210301 [0,3,0,0,0,0|1,0,0]=4 18500 B13R1.3 CNc1ccc(cc1)OCC(=O)N 34a_100000182112_100000187820 [0,3,0,0,0,0|1,0,0]=4 18501 B13R1.3 CNc1ccc(cc1)OCC(=O)N 34a_100000238760_200000210301 [0,3,0,0,0,0|1,0,0]=4 18502 B13R1.3 CNc1ccc(cc1)OCC(=O)[O-] 34a_100000182112_100020667443 [0,3,0,0,0,0|1,0,0]=4 18503 B13R1.3 COc1ccc(cc1)OCC(=O)C 1458a_100000186439_200000210301 [0,3,0,0,0,0|0,0,1]=4 18504 B13R1.3 COc1ccc(cc1)OCC(=O)N 34a_100000210503_100000187820 [0,3,0,0,0,0|1,0,0]=4 18505 B13R1.3 COc1ccc(cc1)OCC(=O)[13CH3] 1458a_100000186439_200025704644 [0,3,0,0,0,0|0,0,1]=4 18506 B13R1.3 COc1ccc(cc1)OCC(=O)[O-] 34a_100000210503_100020667443 [0,3,0,0,0,0|1,0,0]=4 18507 B13R1.3 CSc1ccc(cc1)OCC(=O)N 34a_100000211864_100000187820 [0,3,0,0,0,0|1,0,0]=4 18508 B13R1.3 CSc1ccc(cc1)OCC(=O)[O-] 34a_100000211864_100020667443 [0,3,0,0,0,0|1,0,0]=4 18509 B13R1.3 N#Cc1ccc(cc1)OCC(=O)N 34a_100000210344_100000187820 [0,3,0,0,0,0|1,0,0]=4 18510 B13R1.3 N#Cc1ccc(cc1)OCC(=O)N 7a_100000210344_100000187820 [0,3,0,0,0,0|1,0,0]=4 18511 B13R1.3 N#Cc1ccc(cc1)OCC(=O)[O-] 34a_100000210344_100020667443 [0,3,0,0,0,0|1,0,0]=4 18512 B13R1.3 NC(=O)COc1ccc(cc1)CO 34a_100000211755_100000187820 [0,3,0,0,0,0|1,0,0]=4 18513 B13R1.3 NCc1ccc(cc1)OCC(=O)N 34a_100000185549_100000187820 [0,3,0,0,0,0|1,0,0]=4 18514 B13R1.3 NCc1ccc(cc1)OCC(=O)[O-] 34a_100000185549_100020667443 [0,3,0,0,0,0|1,0,0]=4 18515 B13R1.3 O=C([O-])COc1ccc(cc1)CO 34a_100000211755_100020667443 [0,3,0,0,0,0|1,0,0]=4 18516 B13R1.3 [13CH3]C(=O)COc1ccc(cc1)C#N 1458a_100000182482_200025704644 [0,3,0,0,0,0|0,0,1]=4 18517 B13R1.3 [13CH3]C(=O)COc1ccc(cc1)CO 1458a_100000730898_200025704644 [0,3,0,0,0,0|0,0,1]=4 18518 B13R1.3 [13CH3]Nc1ccc(cc1)OCC(=O)N 2230a_100000238760_200025704644 [0,3,0,0,0,0|1,0,0]=4 18519 B13R1.3 [13CH3]Nc1ccc(cc1)OCC(=O)N 34a_100000238760_200025704644 [0,3,0,0,0,0|1,0,0]=4 18520 B13R1.133 CC(=O)C(C)Oc1ccc(cc1)Br 1458a_100000181392_200000210301 [0,3,0,0,0,0|0,0,1]=4 18521 B13R1.133 CC(=O)C(C)Oc1ccc(cc1)Br 7a_100000185759_100000179758 [0,3,0,0,0,0|0,0,1]=4 18522 B13R1.133 CC(=O)C(C)Oc1ccc(cc1)C 1458a_100000183867_200000210301 [0,3,0,0,0,0|0,0,1]=4 18523 B13R1.133 CC(=O)C(C)Oc1ccc(cc1)C 7a_100000210336_100000179758 [0,3,0,0,0,0|0,0,1]=4 18524 B13R1.133 CC(=O)C(C)Oc1ccc(cc1)Cl 1458a_100000184027_200000210301 [0,3,0,0,0,0|0,0,1]=4 18525 B13R1.133 CC(=O)C(C)Oc1ccc(cc1)Cl 7a_100000210216_100000179758 [0,3,0,0,0,0|0,0,1]=4 18526 B13R1.133 CC(=O)C(C)Oc1ccc(cc1)F 1458a_100000203723_200000210301 [0,3,0,0,0,0|0,0,1]=4 18527 B13R1.133 CC(=O)C(C)Oc1ccc(cc1)I 7a_100000212066_100000179758 [0,3,0,0,0,0|0,0,1]=4 18528 B13R1.133 CC(=O)[C@@H](C)Oc1ccc(cc1)O 1458a_100000005562_200000210301 [0,3,0,0,0,0|0,0,1]=4 18529 B13R1.133 CC(Oc1ccc(cc1)Br)C(=O)N 34a_100000185759_100000702099 [0,3,0,0,0,0|1,0,0]=4 18530 B13R1.133 CC(Oc1ccc(cc1)Br)C(=O)N 7a_100000185759_100000702099 [0,3,0,0,0,0|1,0,0]=4 18531 B13R1.133 CC(Oc1ccc(cc1)Br)C(=O)[13CH3] 1458a_100000181392_200025704644 [0,3,0,0,0,0|0,0,1]=4 18532 B13R1.133 CC(Oc1ccc(cc1)Cl)C(=O)N 34a_100000210216_100000702099 [0,3,0,0,0,0|1,0,0]=4 18533 B13R1.133 CC(Oc1ccc(cc1)Cl)C(=O)N 7a_100000210216_100000702099 [0,3,0,0,0,0|1,0,0]=4 18534 B13R1.133 CC(Oc1ccc(cc1)Cl)C(=O)[13CH3] 1458a_100000184027_200025704644 [0,3,0,0,0,0|0,0,1]=4 18535 B13R1.133 CC(Oc1ccc(cc1)F)C(=O)N 34a_100000210339_100000702099 [0,3,0,0,0,0|1,0,0]=4 18536 B13R1.133 CC(Oc1ccc(cc1)F)C(=O)[13CH3] 1458a_100000203723_200025704644 [0,3,0,0,0,0|0,0,1]=4 18537 B13R1.133 CC(Oc1ccc(cc1)I)C(=O)N 34a_100000212066_100000702099 [0,3,0,0,0,0|1,0,0]=4 18538 B13R1.133 CC(Oc1ccc(cc1)I)C(=O)N 7a_100000212066_100000702099 [0,3,0,0,0,0|1,0,0]=4 18539 B13R1.133 CC(Oc1ccc(cc1)N)C(=O)N 34a_100000185829_100000702099 [0,3,0,0,0,0|1,0,0]=4 18540 B13R1.133 CC(Oc1ccc(cc1)O)C(=O)N 271570a_203496583355_100000150412 [0,3,0,0,0,0|1,0,0]=4 18541 B13R1.133 C[C@@H](Oc1ccc(cc1)O)C(=O)[13CH3] 1458a_100000005562_200025704644 [0,3,0,0,0,0|0,0,1]=4 18542 B13R1.133 Cc1ccc(cc1)OC(C)C(=O)N 34a_100000210336_100000702099 [0,3,0,0,0,0|1,0,0]=4 18543 B13R1.133 Cc1ccc(cc1)OC(C)C(=O)N 7a_100000210336_100000702099 [0,3,0,0,0,0|1,0,0]=4 18544 B13R1.133 Cc1ccc(cc1)OC(C)C(=O)[13CH3] 1458a_100000183867_200025704644 [0,3,0,0,0,0|0,0,1]=4 18545 B13R1.133 Cc1ccc(cc1)OC(F)C(=O)N 34a_100000210336_100009813875 [0,3,0,0,0,0|1,0,0]=4 18546 B13R1.133 Cc1ccc(cc1)OC(F)C(=O)N 7a_100000210336_100009813875 [0,3,0,0,0,0|1,0,0]=4 18547 B13R1.133 Cc1ccc(cc1)OC(F)C(=O)[O-] 34a_100000210336_100020610796 [0,3,0,0,0,0|1,0,0]=4 18548 B13R1.133 NC(=O)C(F)Oc1ccc(cc1)Br 34a_100000185759_100009813875 [0,3,0,0,0,0|1,0,0]=4 18549 B13R1.133 NC(=O)C(F)Oc1ccc(cc1)Br 7a_100000185759_100009813875 [0,3,0,0,0,0|1,0,0]=4 18550 B13R1.133 NC(=O)C(F)Oc1ccc(cc1)Cl 34a_100000210216_100009813875 [0,3,0,0,0,0|1,0,0]=4 18551 B13R1.133 NC(=O)C(F)Oc1ccc(cc1)Cl 7a_100000210216_100009813875 [0,3,0,0,0,0|1,0,0]=4 18552 B13R1.133 NC(=O)C(F)Oc1ccc(cc1)F 34a_100000210339_100009813875 [0,3,0,0,0,0|1,0,0]=4 18553 B13R1.133 NC(=O)C(F)Oc1ccc(cc1)I 34a_100000212066_100009813875 [0,3,0,0,0,0|1,0,0]=4 18554 B13R1.133 NC(=O)C(F)Oc1ccc(cc1)I 7a_100000212066_100009813875 [0,3,0,0,0,0|1,0,0]=4 18555 B13R1.133 NC(=O)C(F)Oc1ccc(cc1)N 34a_100000185829_100009813875 [0,3,0,0,0,0|1,0,0]=4 18556 B13R1.133 Nc1ccc(cc1)OC(F)C(=O)[O-] 34a_100000185829_100020610796 [0,3,0,0,0,0|1,0,0]=4 18557 B13R1.133 O=C([O-])C(F)Oc1ccc(cc1)Br 34a_100000185759_100020610796 [0,3,0,0,0,0|1,0,0]=4 18558 B13R1.133 O=C([O-])C(F)Oc1ccc(cc1)Cl 34a_100000210216_100020610796 [0,3,0,0,0,0|1,0,0]=4 18559 B13R1.133 O=C([O-])C(F)Oc1ccc(cc1)F 34a_100000210339_100020610796 [0,3,0,0,0,0|1,0,0]=4 18560 B13R1.133 O=C([O-])C(F)Oc1ccc(cc1)I 34a_100000212066_100020610796 [0,3,0,0,0,0|1,0,0]=4 18561 B13R1.164 C=C(C)CNc1ccc(cc1Br)Br 34a_100000211012_100000748629 [0,3,0,0,0,0|1,0,0]=4 18562 B13R1.164 C=C(C)CNc1ccc(cc1Br)C 34a_100000210942_100000748629 [0,3,0,0,0,0|1,0,0]=4 18563 B13R1.164 C=C(C)CNc1ccc(cc1Br)Cl 34a_100000752454_100000748629 [0,3,0,0,0,0|1,0,0]=4 18564 B13R1.164 C=C(C)CNc1ccc(cc1Br)F 34a_100000738039_100000748629 [0,3,0,0,0,0|1,0,0]=4 18565 B13R1.164 C=C(C)CNc1ccc(cc1Br)O 34a_100012001276_100000748629 [0,3,0,0,0,0|1,0,0]=4 18566 B13R1.164 C=C(C)CNc1ccc(cc1C)Br 34a_100000211769_100000748629 [0,3,0,0,0,0|1,0,0]=4 18567 B13R1.164 C=C(C)CNc1ccc(cc1C)Br 7a_100000211769_100000748629 [0,3,0,0,0,0|1,0,0]=4 18568 B13R1.164 C=C(C)CNc1ccc(cc1C)C 34a_100000736561_100000748629 [0,3,0,0,0,0|1,0,0]=4 18569 B13R1.164 C=C(C)CNc1ccc(cc1C)C 7a_100000736561_100000748629 [0,3,0,0,0,0|1,0,0]=4 18570 B13R1.164 C=C(C)CNc1ccc(cc1C)Cl 34a_100000210418_100000748629 [0,3,0,0,0,0|1,0,0]=4 18571 B13R1.164 C=C(C)CNc1ccc(cc1C)Cl 7a_100000210418_100000748629 [0,3,0,0,0,0|1,0,0]=4 18572 B13R1.164 C=C(C)CNc1ccc(cc1C)F 34a_100000211637_100000748629 [0,3,0,0,0,0|1,0,0]=4 18573 B13R1.164 C=C(C)CNc1ccc(cc1C)F 7a_100000211637_100000748629 [0,3,0,0,0,0|1,0,0]=4 18574 B13R1.164 C=C(C)CNc1ccc(cc1C)I 34a_100000184554_100000748629 [0,3,0,0,0,0|1,0,0]=4 18575 B13R1.164 C=C(C)CNc1ccc(cc1C)I 7a_100000184554_100000748629 [0,3,0,0,0,0|1,0,0]=4 18576 B13R1.164 C=C(C)CNc1ccc(cc1C)O 34a_100000756630_100000748629 [0,3,0,0,0,0|1,0,0]=4 18577 B13R1.164 C=C(C)CNc1ccc(cc1Cl)Br 34a_100000211467_100000748629 [0,3,0,0,0,0|1,0,0]=4 18578 B13R1.164 C=C(C)CNc1ccc(cc1Cl)C 34a_100000210522_100000748629 [0,3,0,0,0,0|1,0,0]=4 18579 B13R1.164 C=C(C)CNc1ccc(cc1Cl)Cl 34a_100000185861_100000748629 [0,3,0,0,0,0|1,0,0]=4 18580 B13R1.164 C=C(C)CNc1ccc(cc1Cl)F 34a_100000212003_100000748629 [0,3,0,0,0,0|1,0,0]=4 18581 B13R1.164 C=C(C)CNc1ccc(cc1Cl)I 34a_100011218065_100000748629 [0,3,0,0,0,0|1,0,0]=4 18582 B13R1.164 C=C(C)CNc1ccc(cc1Cl)O 34a_100011215599_100000748629 [0,3,0,0,0,0|1,0,0]=4 18583 B13R1.164 C=C(C)CNc1ccc(cc1F)Br 34a_100000210722_100000748629 [0,3,0,0,0,0|1,0,0]=4 18584 B13R1.164 C=C(C)CNc1ccc(cc1F)C 34a_100000211023_100000748629 [0,3,0,0,0,0|1,0,0]=4 18585 B13R1.164 C=C(C)CNc1ccc(cc1F)Cl 34a_100000211020_100000748629 [0,3,0,0,0,0|1,0,0]=4 18586 B13R1.164 C=C(C)CNc1ccc(cc1F)F 34a_100000210720_100000748629 [0,3,0,0,0,0|1,0,0]=4 18587 B13R1.164 C=C(C)CNc1ccc(cc1F)I 34a_100011215594_100000748629 [0,3,0,0,0,0|1,0,0]=4 18588 B13R1.164 C=C(C)CNc1ccc(cc1F)O 34a_100000759473_100000748629 [0,3,0,0,0,0|1,0,0]=4 18589 B13R1.164 C=C(C)CNc1ccc(cc1I)Br 34a_100000187925_100000748629 [0,3,0,0,0,0|1,0,0]=4 18590 B13R1.164 C=C(C)CNc1ccc(cc1I)C 34a_100011356834_100000748629 [0,3,0,0,0,0|1,0,0]=4 18591 B13R1.164 C=C(C)CNc1ccc(cc1I)Cl 34a_100000761889_100000748629 [0,3,0,0,0,0|1,0,0]=4 18592 B13R1.164 C=C(C)CNc1ccc(cc1I)F 34a_100000760547_100000748629 [0,3,0,0,0,0|1,0,0]=4 18593 B13R1.164 C=C(C)CNc1ccc(cc1I)O 34a_100010084370_100000748629 [0,3,0,0,0,0|1,0,0]=4 18594 B13R1.164 C=C(C)CNc1ccc(cc1O)Br 34a_100000739049_100000748629 [0,3,0,0,0,0|1,0,0]=4 18595 B13R1.164 C=C(C)CNc1ccc(cc1O)C 34a_100000211527_100000748629 [0,3,0,0,0,0|1,0,0]=4 18596 B13R1.164 C=C(C)CNc1ccc(cc1O)Cl 34a_100000185728_100000748629 [0,3,0,0,0,0|1,0,0]=4 18597 B13R1.164 C=C(C)CNc1ccc(cc1O)F 34a_100000753323_100000748629 [0,3,0,0,0,0|1,0,0]=4 18598 B13R1.164 C=C(C)CNc1ccc(cc1O)O 34a_100000106777_100000748629 [0,3,0,0,0,0|1,0,0]=4 18599 B13R1.164 C=C(C)COc1ccc(cc1Br)Br 34a_100000188717_100000748629 [0,3,0,0,0,0|0,0,0]=3 18600 B13R1.164 C=C(C)COc1ccc(cc1Br)Br 7a_100000188717_100000748629 [0,3,0,0,0,0|0,0,0]=3 18601 B13R1.164 C=C(C)COc1ccc(cc1Br)C 34a_100000210800_100000748629 [0,3,0,0,0,0|0,0,0]=3 18602 B13R1.164 C=C(C)COc1ccc(cc1Br)C 7a_100000210800_100000748629 [0,3,0,0,0,0|0,0,0]=3 18603 B13R1.164 C=C(C)COc1ccc(cc1Br)Cl 34a_100000211998_100000748629 [0,3,0,0,0,0|0,0,0]=3 18604 B13R1.164 C=C(C)COc1ccc(cc1Br)Cl 7a_100000211998_100000748629 [0,3,0,0,0,0|0,0,0]=3 18605 B13R1.164 C=C(C)COc1ccc(cc1Br)F 34a_100000211999_100000748629 [0,3,0,0,0,0|0,0,0]=3 18606 B13R1.164 C=C(C)COc1ccc(cc1Br)F 7a_100000211999_100000748629 [0,3,0,0,0,0|0,0,0]=3 18607 B13R1.164 C=C(C)COc1ccc(cc1Br)I 34a_100012361655_100000748629 [0,3,0,0,0,0|0,0,0]=3 18608 B13R1.164 C=C(C)COc1ccc(cc1Br)I 7a_100012361655_100000748629 [0,3,0,0,0,0|0,0,0]=3 18609 B13R1.164 C=C(C)COc1ccc(cc1Br)N 34a_100011534360_100000748629 [0,3,0,0,0,0|0,0,0]=3 18610 B13R1.164 C=C(C)COc1ccc(cc1Br)N 7a_100011534360_100000748629 [0,3,0,0,0,0|0,0,0]=3 18611 B13R1.164 C=C(C)COc1ccc(cc1C)Br 34a_100000186361_100000748629 [0,3,0,0,0,0|0,0,0]=3 18612 B13R1.164 C=C(C)COc1ccc(cc1C)Br 7a_100000186361_100000748629 [0,3,0,0,0,0|0,0,0]=3 18613 B13R1.164 C=C(C)COc1ccc(cc1C)C 34a_100000211776_100000748629 [0,3,0,0,0,0|0,0,0]=3 18614 B13R1.164 C=C(C)COc1ccc(cc1C)C 7a_100000211776_100000748629 [0,3,0,0,0,0|0,0,0]=3 18615 B13R1.164 C=C(C)COc1ccc(cc1C)Cl 34a_100000211091_100000748629 [0,3,0,0,0,0|0,0,0]=3 18616 B13R1.164 C=C(C)COc1ccc(cc1C)Cl 7a_100000211091_100000748629 [0,3,0,0,0,0|0,0,0]=3 18617 B13R1.164 C=C(C)COc1ccc(cc1C)F 34a_100000764316_100000748629 [0,3,0,0,0,0|0,0,0]=3 18618 B13R1.164 C=C(C)COc1ccc(cc1C)F 7a_100000764316_100000748629 [0,3,0,0,0,0|0,0,0]=3 18619 B13R1.164 C=C(C)COc1ccc(cc1C)I 34a_100011218673_100000748629 [0,3,0,0,0,0|0,0,0]=3 18620 B13R1.164 C=C(C)COc1ccc(cc1C)I 7a_100011218673_100000748629 [0,3,0,0,0,0|0,0,0]=3 18621 B13R1.164 C=C(C)COc1ccc(cc1C)N 34a_100011218179_100000748629 [0,3,0,0,0,0|0,0,0]=3 18622 B13R1.164 C=C(C)COc1ccc(cc1C)N 7a_100011218179_100000748629 [0,3,0,0,0,0|0,0,0]=3 18623 B13R1.164 C=C(C)COc1ccc(cc1Cl)Br 34a_100000186472_100000748629 [0,3,0,0,0,0|0,0,0]=3 18624 B13R1.164 C=C(C)COc1ccc(cc1Cl)Br 7a_100000186472_100000748629 [0,3,0,0,0,0|0,0,0]=3 18625 B13R1.164 C=C(C)COc1ccc(cc1Cl)C 34a_100000749699_100000748629 [0,3,0,0,0,0|0,0,0]=3 18626 B13R1.164 C=C(C)COc1ccc(cc1Cl)C 7a_100000749699_100000748629 [0,3,0,0,0,0|0,0,0]=3 18627 B13R1.164 C=C(C)COc1ccc(cc1Cl)Cl 34a_100015191787_100000748629 [0,3,0,0,0,0|0,0,0]=3 18628 B13R1.164 C=C(C)COc1ccc(cc1Cl)Cl 7a_100015191787_100000748629 [0,3,0,0,0,0|0,0,0]=3 18629 B13R1.164 C=C(C)COc1ccc(cc1Cl)F 34a_100000212004_100000748629 [0,3,0,0,0,0|0,0,0]=3 18630 B13R1.164 C=C(C)COc1ccc(cc1Cl)F 7a_100000212004_100000748629 [0,3,0,0,0,0|0,0,0]=3 18631 B13R1.164 C=C(C)COc1ccc(cc1Cl)I 34a_100012360047_100000748629 [0,3,0,0,0,0|0,0,0]=3 18632 B13R1.164 C=C(C)COc1ccc(cc1Cl)I 7a_100012360047_100000748629 [0,3,0,0,0,0|0,0,0]=3 18633 B13R1.164 C=C(C)COc1ccc(cc1Cl)N 34a_100000744943_100000748629 [0,3,0,0,0,0|0,0,0]=3 18634 B13R1.164 C=C(C)COc1ccc(cc1Cl)N 7a_100000744943_100000748629 [0,3,0,0,0,0|0,0,0]=3 18635 B13R1.164 C=C(C)COc1ccc(cc1F)Br 34a_100000185481_100000748629 [0,3,0,0,0,0|0,0,0]=3 18636 B13R1.164 C=C(C)COc1ccc(cc1F)Br 7a_100000185481_100000748629 [0,3,0,0,0,0|0,0,0]=3 18637 B13R1.164 C=C(C)COc1ccc(cc1F)C 34a_100011216688_100000748629 [0,3,0,0,0,0|0,0,0]=3 18638 B13R1.164 C=C(C)COc1ccc(cc1F)C 7a_100011216688_100000748629 [0,3,0,0,0,0|0,0,0]=3 18639 B13R1.164 C=C(C)COc1ccc(cc1F)Cl 34a_100000230166_100000748629 [0,3,0,0,0,0|0,0,0]=3 18640 B13R1.164 C=C(C)COc1ccc(cc1F)Cl 7a_100000230166_100000748629 [0,3,0,0,0,0|0,0,0]=3 18641 B13R1.164 C=C(C)COc1ccc(cc1F)F 34a_100000230127_100000748629 [0,3,0,0,0,0|0,0,0]=3 18642 B13R1.164 C=C(C)COc1ccc(cc1F)F 7a_100000230127_100000748629 [0,3,0,0,0,0|0,0,0]=3 18643 B13R1.164 C=C(C)COc1ccc(cc1F)I 34a_100011356965_100000748629 [0,3,0,0,0,0|0,0,0]=3 18644 B13R1.164 C=C(C)COc1ccc(cc1F)I 7a_100011356965_100000748629 [0,3,0,0,0,0|0,0,0]=3 18645 B13R1.164 C=C(C)COc1ccc(cc1F)N 34a_100011220035_100000748629 [0,3,0,0,0,0|0,0,0]=3 18646 B13R1.164 C=C(C)COc1ccc(cc1F)N 7a_100011220035_100000748629 [0,3,0,0,0,0|0,0,0]=3 18647 B13R1.164 C=C(C)COc1ccc(cc1I)Br 34a_100012355227_100000748629 [0,3,0,0,0,0|0,0,0]=3 18648 B13R1.164 C=C(C)COc1ccc(cc1I)Br 7a_100012355227_100000748629 [0,3,0,0,0,0|0,0,0]=3 18649 B13R1.164 C=C(C)COc1ccc(cc1I)C 34a_100000765521_100000748629 [0,3,0,0,0,0|0,0,0]=3 18650 B13R1.164 C=C(C)COc1ccc(cc1I)C 7a_100000765521_100000748629 [0,3,0,0,0,0|0,0,0]=3 18651 B13R1.164 C=C(C)COc1ccc(cc1I)Cl 34a_100011356953_100000748629 [0,3,0,0,0,0|0,0,0]=3 18652 B13R1.164 C=C(C)COc1ccc(cc1I)Cl 7a_100011356953_100000748629 [0,3,0,0,0,0|0,0,0]=3 18653 B13R1.164 C=C(C)COc1ccc(cc1I)F 34a_100012355409_100000748629 [0,3,0,0,0,0|0,0,0]=3 18654 B13R1.164 C=C(C)COc1ccc(cc1I)F 7a_100012355409_100000748629 [0,3,0,0,0,0|0,0,0]=3 18655 B13R1.164 C=C(C)COc1ccc(cc1I)I 7a_100010001573_100000748629 [0,3,0,0,0,0|0,0,0]=3 18656 B13R1.164 C=C(C)COc1ccc(cc1N)Br 34a_100000752626_100000748629 [0,3,0,0,0,0|0,0,0]=3 18657 B13R1.164 C=C(C)COc1ccc(cc1N)Br 7a_100000752626_100000748629 [0,3,0,0,0,0|0,0,0]=3 18658 B13R1.164 C=C(C)COc1ccc(cc1N)C 34a_100011215204_100000748629 [0,3,0,0,0,0|0,0,0]=3 18659 B13R1.164 C=C(C)COc1ccc(cc1N)C 7a_100011215204_100000748629 [0,3,0,0,0,0|0,0,0]=3 18660 B13R1.164 C=C(C)COc1ccc(cc1N)Cl 34a_100000210500_100000748629 [0,3,0,0,0,0|0,0,0]=3 18661 B13R1.164 C=C(C)COc1ccc(cc1N)Cl 7a_100000210500_100000748629 [0,3,0,0,0,0|0,0,0]=3 18662 B13R1.164 C=C(C)COc1ccc(cc1N)F 34a_100000759472_100000748629 [0,3,0,0,0,0|0,0,0]=3 18663 B13R1.164 C=C(C)COc1ccc(cc1N)F 7a_100000759472_100000748629 [0,3,0,0,0,0|0,0,0]=3 18664 B13R1.164 C=C(C)COc1ccc(cc1N)I 34a_100000753495_100000748629 [0,3,0,0,0,0|0,0,0]=3 18665 B13R1.164 C=C(C)COc1ccc(cc1N)I 7a_100000753495_100000748629 [0,3,0,0,0,0|0,0,0]=3 18666 B13R1.164 C=C(C)COc1ccc(cc1N)N 34a_100000725306_100000748629 [0,3,0,0,0,0|0,0,0]=3 18667 B13R1.164 C=C(C)COc1ccc(nc1Br)Br 34a_100009999766_100000748629 [0,3,0,0,0,0|1,0,0]=4 18668 B13R1.164 C=C(C)COc1ccc(nc1Br)Br 7a_100009999766_100000748629 [0,3,0,0,0,0|1,0,0]=4 18669 B13R1.164 C=C(C)COc1ccc(nc1Br)C 34a_100000702858_100000748629 [0,3,0,0,0,0|1,0,0]=4 18670 B13R1.164 C=C(C)COc1ccc(nc1Br)C 7a_100000702858_100000748629 [0,3,0,0,0,0|1,0,0]=4 18671 B13R1.164 C=C(C)COc1ccc(nc1Br)Cl 34a_100010219353_100000748629 [0,3,0,0,0,0|1,0,0]=4 18672 B13R1.164 C=C(C)COc1ccc(nc1Br)Cl 7a_100010219353_100000748629 [0,3,0,0,0,0|1,0,0]=4 18673 B13R1.164 C=C(C)COc1ccc(nc1Br)F 34a_100009887730_100000748629 [0,3,0,0,0,0|1,0,0]=4 18674 B13R1.164 C=C(C)COc1ccc(nc1Br)F 7a_100009887730_100000748629 [0,3,0,0,0,0|1,0,0]=4 18675 B13R1.164 C=C(C)COc1ccc(nc1Br)I 34a_100000725334_100000748629 [0,3,0,0,0,0|1,0,0]=4 18676 B13R1.164 C=C(C)COc1ccc(nc1Br)I 7a_100000725334_100000748629 [0,3,0,0,0,0|1,0,0]=4 18677 B13R1.164 C=C(C)COc1ccc(nc1C)Br 34a_100012002022_100000748629 [0,3,0,0,0,0|1,0,0]=4 18678 B13R1.164 C=C(C)COc1ccc(nc1C)Br 7a_100012002022_100000748629 [0,3,0,0,0,0|1,0,0]=4 18679 B13R1.164 C=C(C)COc1ccc(nc1C)C 34a_100011218912_100000748629 [0,3,0,0,0,0|1,0,0]=4 18680 B13R1.164 C=C(C)COc1ccc(nc1C)C 7a_100011218912_100000748629 [0,3,0,0,0,0|1,0,0]=4 18681 B13R1.164 C=C(C)COc1ccc(nc1C)Cl 34a_100012184626_100000748629 [0,3,0,0,0,0|1,0,0]=4 18682 B13R1.164 C=C(C)COc1ccc(nc1C)Cl 7a_100012184626_100000748629 [0,3,0,0,0,0|1,0,0]=4 18683 B13R1.164 C=C(C)COc1ccc(nc1C)F 34a_100009881036_100000748629 [0,3,0,0,0,0|1,0,0]=4 18684 B13R1.164 C=C(C)COc1ccc(nc1C)F 7a_100009881036_100000748629 [0,3,0,0,0,0|1,0,0]=4 18685 B13R1.164 C=C(C)COc1ccc(nc1C)I 34a_100010233687_100000748629 [0,3,0,0,0,0|1,0,0]=4 18686 B13R1.164 C=C(C)COc1ccc(nc1C)I 7a_100010233687_100000748629 [0,3,0,0,0,0|1,0,0]=4 18687 B13R1.164 C=C(C)COc1ccc(nc1Cl)Br 34a_100010246206_100000748629 [0,3,0,0,0,0|1,0,0]=4 18688 B13R1.164 C=C(C)COc1ccc(nc1Cl)Br 7a_100010246206_100000748629 [0,3,0,0,0,0|1,0,0]=4 18689 B13R1.164 C=C(C)COc1ccc(nc1Cl)C 34a_100000086286_100000748629 [0,3,0,0,0,0|1,0,0]=4 18690 B13R1.164 C=C(C)COc1ccc(nc1Cl)C 7a_100000086286_100000748629 [0,3,0,0,0,0|1,0,0]=4 18691 B13R1.164 C=C(C)COc1ccc(nc1Cl)Cl 34a_100000101165_100000748629 [0,3,0,0,0,0|1,0,0]=4 18692 B13R1.164 C=C(C)COc1ccc(nc1Cl)Cl 7a_100000101165_100000748629 [0,3,0,0,0,0|1,0,0]=4 18693 B13R1.164 C=C(C)COc1ccc(nc1Cl)I 34a_100000721234_100000748629 [0,3,0,0,0,0|1,0,0]=4 18694 B13R1.164 C=C(C)COc1ccc(nc1Cl)I 7a_100000721234_100000748629 [0,3,0,0,0,0|1,0,0]=4 18695 B13R1.164 C=C(C)COc1ccc(nc1F)Br 34a_100009819667_100000748629 [0,3,0,0,0,0|1,0,0]=4 18696 B13R1.164 C=C(C)COc1ccc(nc1F)Br 7a_100009819667_100000748629 [0,3,0,0,0,0|1,0,0]=4 18697 B13R1.164 C=C(C)COc1ccc(nc1F)C 34a_100000079963_100000748629 [0,3,0,0,0,0|1,0,0]=4 18698 B13R1.164 C=C(C)COc1ccc(nc1F)C 7a_100000079963_100000748629 [0,3,0,0,0,0|1,0,0]=4 18699 B13R1.164 C=C(C)COc1ccc(nc1F)Cl 34a_100009880201_100000748629 [0,3,0,0,0,0|1,0,0]=4 18700 B13R1.164 C=C(C)COc1ccc(nc1F)Cl 7a_100009880201_100000748629 [0,3,0,0,0,0|1,0,0]=4 18701 B13R1.164 C=C(C)COc1ccc(nc1F)F 34a_100000101184_100000748629 [0,3,0,0,0,0|1,0,0]=4 18702 B13R1.164 C=C(C)COc1ccc(nc1F)F 7a_100000101184_100000748629 [0,3,0,0,0,0|1,0,0]=4 18703 B13R1.164 C=C(C)COc1ccc(nc1I)Br 34a_100010253912_100000748629 [0,3,0,0,0,0|1,0,0]=4 18704 B13R1.164 C=C(C)COc1ccc(nc1I)Br 7a_100010253912_100000748629 [0,3,0,0,0,0|1,0,0]=4 18705 B13R1.164 C=C(C)COc1ccc(nc1I)C 34a_100000023897_100000748629 [0,3,0,0,0,0|1,0,0]=4 18706 B13R1.164 C=C(C)COc1ccc(nc1I)C 7a_100000023897_100000748629 [0,3,0,0,0,0|1,0,0]=4 18707 B13R1.164 C=C(C)COc1ccc(nc1I)Cl 34a_100000696390_100000748629 [0,3,0,0,0,0|1,0,0]=4 18708 B13R1.164 C=C(C)COc1ccc(nc1I)Cl 7a_100000696390_100000748629 [0,3,0,0,0,0|1,0,0]=4 18709 B13R1.164 C=C(C)COc1ccc(nc1I)F 34a_100010382442_100000748629 [0,3,0,0,0,0|1,0,0]=4 18710 B13R1.164 C=C(C)COc1ccc(nc1I)F 7a_100010382442_100000748629 [0,3,0,0,0,0|1,0,0]=4 18711 B13R1.164 C=C(C)COc1ccc(nc1N)Br 34a_100000685527_100000748629 [0,3,0,0,0,0|1,0,0]=4 18712 B13R1.164 C=C(C)COc1ccc(nc1N)Br 7a_100000685527_100000748629 [0,3,0,0,0,0|1,0,0]=4 18713 B13R1.164 C=C(C)COc1ccc(nc1N)C 34a_100000694039_100000748629 [0,3,0,0,0,0|1,0,0]=4 18714 B13R1.164 C=C(C)COc1ccc(nc1N)C 7a_100000694039_100000748629 [0,3,0,0,0,0|1,0,0]=4 18715 B13R1.164 C=C(C)COc1ccc(nc1N)Cl 34a_100000717809_100000748629 [0,3,0,0,0,0|1,0,0]=4 18716 B13R1.164 C=C(C)COc1ccc(nc1N)Cl 7a_100000717809_100000748629 [0,3,0,0,0,0|1,0,0]=4 18717 B13R1.164 C=C(C)COc1cnc(cc1Br)C 34a_100009843476_100000748629 [0,3,0,0,0,0|1,0,0]=4 18718 B13R1.164 C=C(C)COc1cnc(cc1Br)C 7a_100009843476_100000748629 [0,3,0,0,0,0|1,0,0]=4 18719 B13R1.164 C=C(C)COc1cnc(cc1C)C 34a_200000068632_100000748629 [0,3,0,0,0,0|1,0,0]=4 18720 B13R1.164 C=C(C)COc1cnc(cc1C)C 7a_200000068632_100000748629 [0,3,0,0,0,0|1,0,0]=4 18721 B13R1.164 C=C(C)COc1cnc(cc1C)Cl 34a_100000692680_100000748629 [0,3,0,0,0,0|1,0,0]=4 18722 B13R1.164 C=C(C)COc1cnc(cc1C)Cl 7a_100000692680_100000748629 [0,3,0,0,0,0|1,0,0]=4 18723 B13R1.164 C=C(C)COc1cnc(cc1C)F 34a_100009856773_100000748629 [0,3,0,0,0,0|1,0,0]=4 18724 B13R1.164 C=C(C)COc1cnc(cc1C)F 7a_100009856773_100000748629 [0,3,0,0,0,0|1,0,0]=4 18725 B13R1.164 C=C(C)COc1cnc(cc1Cl)Cl 34a_100009868576_100000748629 [0,3,0,0,0,0|1,0,0]=4 18726 B13R1.164 C=C(C)COc1cnc(cc1Cl)Cl 7a_100009868576_100000748629 [0,3,0,0,0,0|1,0,0]=4 18727 B13R1.164 C=C(C)COc1cnc(cc1F)F 34a_100009885687_100000748629 [0,3,0,0,0,0|1,0,0]=4 18728 B13R1.164 C=C(C)COc1cnc(cc1F)F 7a_100009885687_100000748629 [0,3,0,0,0,0|1,0,0]=4 18729 B13R1.164 C=C(C)COc1cnc(cc1I)Cl 34a_100000698892_100000748629 [0,3,0,0,0,0|1,0,0]=4 18730 B13R1.164 C=C(C)COc1cnc(cc1I)Cl 7a_100000698892_100000748629 [0,3,0,0,0,0|1,0,0]=4 18731 B13R1.164 C=C(C)COc1cnc(cc1N)Br 34a_100009819941_100000748629 [0,3,0,0,0,0|1,0,0]=4 18732 B13R1.164 C=C(C)COc1cnc(cc1N)Br 7a_100009819941_100000748629 [0,3,0,0,0,0|1,0,0]=4 18733 B13R1.164 C=C(C)COc1coc(cc1=O)C 34a_100000081520_100000748629 [0,3,0,0,0,0|1,0,0]=4 18734 B13R1.164 C=C(C)COc1ncc(cc1Br)Br 34a_100000701035_100000748629 [0,3,0,0,0,0|1,0,0]=4 18735 B13R1.164 C=C(C)COc1ncc(cc1Br)C 34a_100000719714_100000748629 [0,3,0,0,0,0|1,0,0]=4 18736 B13R1.164 C=C(C)COc1ncc(cc1C)Br 34a_100000685391_100000748629 [0,3,0,0,0,0|1,0,0]=4 18737 B13R1.164 C=C(C)COc1ncc(cc1Cl)Br 34a_100012339560_100000748629 [0,3,0,0,0,0|1,0,0]=4 18738 B13R1.164 C=C(C)COc1ncc(cc1Cl)F 34a_100009847679_100000748629 [0,3,0,0,0,0|1,0,0]=4 18739 B13R1.164 C=C(C)COc1ncc(cc1F)Cl 34a_100011998252_100000748629 [0,3,0,0,0,0|1,0,0]=4 18740 B13R1.164 C=C(C)COc1ncc(cc1F)F 34a_100012025737_100000748629 [0,3,0,0,0,0|1,0,0]=4 18741 B13R1.164 C=C(C)COc1ncc(cc1N)Br 34a_100000743729_100000748629 [0,3,0,0,0,0|1,0,0]=4 18742 B13R1.164 C=C(C)COc1ncc(cc1N)C 34a_100012000488_100000748629 [0,3,0,0,0,0|1,0,0]=4 18743 B13R1.164 C=C(C)COc1ncc(cc1N)Cl 34a_100011998249_100000748629 [0,3,0,0,0,0|1,0,0]=4 18744 B13R1.164 C=C(C)CSc1ccc(cc1Br)Br 62a_100000748629_100011484698 [0,3,0,0,0,0|0,1,0]=4 18745 B13R1.164 C=C(C)CSc1ccc(cc1Br)Br 62a_100011484698_100000211660 [0,3,0,0,0,0|0,1,0]=4 18746 B13R1.164 C=C(C)CSc1ccc(cc1Br)C 62a_100000748629_100009813563 [0,3,0,0,0,0|0,1,0]=4 18747 B13R1.164 C=C(C)CSc1ccc(cc1Br)C 62a_100009813563_100000211660 [0,3,0,0,0,0|0,1,0]=4 18748 B13R1.164 C=C(C)CSc1ccc(cc1Br)Cl 62a_100000748629_100011219703 [0,3,0,0,0,0|0,1,0]=4 18749 B13R1.164 C=C(C)CSc1ccc(cc1Br)Cl 62a_100011219703_100000211660 [0,3,0,0,0,0|0,1,0]=4 18750 B13R1.164 C=C(C)CSc1ccc(cc1Br)F 62a_100000748629_100011217111 [0,3,0,0,0,0|0,1,0]=4 18751 B13R1.164 C=C(C)CSc1ccc(cc1Br)F 62a_100011217111_100000211660 [0,3,0,0,0,0|0,1,0]=4 18752 B13R1.164 C=C(C)CSc1ccc(cc1Br)N 62a_100000748629_100000750458 [0,3,0,0,0,0|0,1,0]=4 18753 B13R1.164 C=C(C)CSc1ccc(cc1Br)N 62a_100000750458_100000211660 [0,3,0,0,0,0|0,1,0]=4 18754 B13R1.164 C=C(C)CSc1ccc(cc1Br)O 62a_100000701344_100000211660 [0,3,0,0,0,0|0,1,0]=4 18755 B13R1.164 C=C(C)CSc1ccc(cc1Br)O 62a_100000748629_100000701344 [0,3,0,0,0,0|0,1,0]=4 18756 B13R1.164 C=C(C)CSc1ccc(cc1C)Br 62a_100000701812_100000211660 [0,3,0,0,0,0|0,1,0]=4 18757 B13R1.164 C=C(C)CSc1ccc(cc1C)Br 62a_100000748629_100000701812 [0,3,0,0,0,0|0,1,0]=4 18758 B13R1.164 C=C(C)CSc1ccc(cc1C)C 62a_100000748629_100011217332 [0,3,0,0,0,0|0,1,0]=4 18759 B13R1.164 C=C(C)CSc1ccc(cc1C)C 62a_100011217332_100000211660 [0,3,0,0,0,0|0,1,0]=4 18760 B13R1.164 C=C(C)CSc1ccc(cc1C)Cl 62a_100000748629_100011219607 [0,3,0,0,0,0|0,1,0]=4 18761 B13R1.164 C=C(C)CSc1ccc(cc1C)Cl 62a_100011219607_100000211660 [0,3,0,0,0,0|0,1,0]=4 18762 B13R1.164 C=C(C)CSc1ccc(cc1C)F 62a_100000748629_100011205405 [0,3,0,0,0,0|0,1,0]=4 18763 B13R1.164 C=C(C)CSc1ccc(cc1C)F 62a_100011205405_100000211660 [0,3,0,0,0,0|0,1,0]=4 18764 B13R1.164 C=C(C)CSc1ccc(cc1C)N 62a_100000210723_100000211660 [0,3,0,0,0,0|0,1,0]=4 18765 B13R1.164 C=C(C)CSc1ccc(cc1C)N 62a_100000748629_100000210723 [0,3,0,0,0,0|0,1,0]=4 18766 B13R1.164 C=C(C)CSc1ccc(cc1C)O 62a_100000748629_100000690111 [0,3,0,0,0,0|0,1,0]=4 18767 B13R1.164 C=C(C)CSc1ccc(cc1Cl)Br 62a_100000748629_100011216062 [0,3,0,0,0,0|0,1,0]=4 18768 B13R1.164 C=C(C)CSc1ccc(cc1Cl)Br 62a_100011216062_100000211660 [0,3,0,0,0,0|0,1,0]=4 18769 B13R1.164 C=C(C)CSc1ccc(cc1Cl)C 62a_100000748629_100011263221 [0,3,0,0,0,0|0,1,0]=4 18770 B13R1.164 C=C(C)CSc1ccc(cc1Cl)C 62a_100011263221_100000211660 [0,3,0,0,0,0|0,1,0]=4 18771 B13R1.164 C=C(C)CSc1ccc(cc1Cl)Cl 62a_100000699841_100000211660 [0,3,0,0,0,0|0,1,0]=4 18772 B13R1.164 C=C(C)CSc1ccc(cc1Cl)Cl 62a_100000748629_100000699841 [0,3,0,0,0,0|0,1,0]=4 18773 B13R1.164 C=C(C)CSc1ccc(cc1Cl)F 62a_100000733362_100000211660 [0,3,0,0,0,0|0,1,0]=4 18774 B13R1.164 C=C(C)CSc1ccc(cc1Cl)F 62a_100000748629_100000733362 [0,3,0,0,0,0|0,1,0]=4 18775 B13R1.164 C=C(C)CSc1ccc(cc1Cl)N 62a_100000748629_100000761885 [0,3,0,0,0,0|0,1,0]=4 18776 B13R1.164 C=C(C)CSc1ccc(cc1Cl)N 62a_100000761885_100000211660 [0,3,0,0,0,0|0,1,0]=4 18777 B13R1.164 C=C(C)CSc1ccc(cc1Cl)O 62a_100000047559_100000211660 [0,3,0,0,0,0|0,1,0]=4 18778 B13R1.164 C=C(C)CSc1ccc(cc1Cl)O 62a_100000748629_100000047559 [0,3,0,0,0,0|0,1,0]=4 18779 B13R1.164 C=C(C)CSc1ccc(cc1F)Br 62a_100000748629_100009814013 [0,3,0,0,0,0|0,1,0]=4 18780 B13R1.164 C=C(C)CSc1ccc(cc1F)Br 62a_100009814013_100000211660 [0,3,0,0,0,0|0,1,0]=4 18781 B13R1.164 C=C(C)CSc1ccc(cc1F)C 62a_100000748629_100011216119 [0,3,0,0,0,0|0,1,0]=4 18782 B13R1.164 C=C(C)CSc1ccc(cc1F)C 62a_100011216119_100000211660 [0,3,0,0,0,0|0,1,0]=4 18783 B13R1.164 C=C(C)CSc1ccc(cc1F)Cl 62a_100000748629_100011216042 [0,3,0,0,0,0|0,1,0]=4 18784 B13R1.164 C=C(C)CSc1ccc(cc1F)Cl 62a_100011216042_100000211660 [0,3,0,0,0,0|0,1,0]=4 18785 B13R1.164 C=C(C)CSc1ccc(cc1F)F 62a_100000748629_100000750030 [0,3,0,0,0,0|0,1,0]=4 18786 B13R1.164 C=C(C)CSc1ccc(cc1F)F 62a_100000750030_100000211660 [0,3,0,0,0,0|0,1,0]=4 18787 B13R1.164 C=C(C)CSc1ccc(cc1F)N 62a_100000748629_100011356925 [0,3,0,0,0,0|0,1,0]=4 18788 B13R1.164 C=C(C)CSc1ccc(cc1F)N 62a_100011356925_100000211660 [0,3,0,0,0,0|0,1,0]=4 18789 B13R1.164 C=C(C)CSc1ccc(cc1F)O 62a_100000748629_100000755031 [0,3,0,0,0,0|0,1,0]=4 18790 B13R1.164 C=C(C)CSc1ccc(cc1F)O 62a_100000755031_100000211660 [0,3,0,0,0,0|0,1,0]=4 18791 B13R1.164 C=C(C)CSc1ccc(cc1N)Br 62a_100000743836_100000211660 [0,3,0,0,0,0|0,1,0]=4 18792 B13R1.164 C=C(C)CSc1ccc(cc1N)Br 62a_100000748629_100000743836 [0,3,0,0,0,0|0,1,0]=4 18793 B13R1.164 C=C(C)CSc1ccc(cc1N)C 62a_100000748629_100011216686 [0,3,0,0,0,0|0,1,0]=4 18794 B13R1.164 C=C(C)CSc1ccc(cc1N)C 62a_100011216686_100000211660 [0,3,0,0,0,0|0,1,0]=4 18795 B13R1.164 C=C(C)CSc1ccc(cc1N)Cl 62a_100000748629_100000761886 [0,3,0,0,0,0|0,1,0]=4 18796 B13R1.164 C=C(C)CSc1ccc(cc1N)Cl 62a_100000761886_100000211660 [0,3,0,0,0,0|0,1,0]=4 18797 B13R1.164 C=C(C)CSc1ccc(cc1N)F 62a_100000687223_100000211660 [0,3,0,0,0,0|0,1,0]=4 18798 B13R1.164 C=C(C)CSc1ccc(cc1N)F 62a_100000748629_100000687223 [0,3,0,0,0,0|0,1,0]=4 18799 B13R1.164 C=C(C)CSc1ccc(cc1N)N 62a_100000748629_200012175722 [0,3,0,0,0,0|0,1,0]=4 18800 B13R1.164 C=C(C)CSc1ccc(cc1N)N 62a_200012175722_100000211660 [0,3,0,0,0,0|0,1,0]=4 18801 B13R1.164 C=C(C)CSc1ccc(cc1N)O 62a_100000748629_100011999798 [0,3,0,0,0,0|0,1,0]=4 18802 B13R1.164 C=C(C)CSc1ccc(cc1N)O 62a_100011999798_100000211660 [0,3,0,0,0,0|0,1,0]=4 18803 B13R1.164 C=C(C)CSc1ccc(cc1O)Br 62a_100000748629_100012344904 [0,3,0,0,0,0|0,1,0]=4 18804 B13R1.164 C=C(C)CSc1ccc(cc1O)Br 62a_100012344904_100000211660 [0,3,0,0,0,0|0,1,0]=4 18805 B13R1.164 C=C(C)CSc1ccc(cc1O)C 62a_100000748629_100012002257 [0,3,0,0,0,0|0,1,0]=4 18806 B13R1.164 C=C(C)CSc1ccc(cc1O)C 62a_100012002257_100000211660 [0,3,0,0,0,0|0,1,0]=4 18807 B13R1.164 C=C(C)CSc1ccc(cc1O)Cl 62a_100000050036_100000211660 [0,3,0,0,0,0|0,1,0]=4 18808 B13R1.164 C=C(C)CSc1ccc(cc1O)Cl 62a_100000748629_100000050036 [0,3,0,0,0,0|0,1,0]=4 18809 B13R1.164 C=C(C)CSc1ccc(cc1O)F 62a_100000690578_100000211660 [0,3,0,0,0,0|0,1,0]=4 18810 B13R1.164 C=C(C)CSc1ccc(cc1O)F 62a_100000748629_100000690578 [0,3,0,0,0,0|0,1,0]=4 18811 B13R1.164 C=C(C)CSc1ccc(cc1O)O 62a_100000748629_100009813921 [0,3,0,0,0,0|0,1,0]=4 18812 B13R1.164 C=C(F)CNc1ccc(cc1Br)Br 34a_100000211012_100009893438 [0,3,0,0,0,0|1,0,0]=4 18813 B13R1.164 C=C(F)CNc1ccc(cc1Br)C 34a_100000210942_100009893438 [0,3,0,0,0,0|1,0,0]=4 18814 B13R1.164 C=C(F)CNc1ccc(cc1Br)Cl 34a_100000752454_100009893438 [0,3,0,0,0,0|1,0,0]=4 18815 B13R1.164 C=C(F)CNc1ccc(cc1Br)F 34a_100000738039_100009893438 [0,3,0,0,0,0|1,0,0]=4 18816 B13R1.164 C=C(F)CNc1ccc(cc1Br)O 34a_100012001276_100009893438 [0,3,0,0,0,0|1,0,0]=4 18817 B13R1.164 C=C(F)CNc1ccc(cc1C)Br 34a_100000211769_100009893438 [0,3,0,0,0,0|1,0,0]=4 18818 B13R1.164 C=C(F)CNc1ccc(cc1C)Br 7a_100000211769_100000042424 [0,3,0,0,0,0|1,0,0]=4 18819 B13R1.164 C=C(F)CNc1ccc(cc1C)C 34a_100000736561_100009893438 [0,3,0,0,0,0|1,0,0]=4 18820 B13R1.164 C=C(F)CNc1ccc(cc1C)C 7a_100000736561_100000042424 [0,3,0,0,0,0|1,0,0]=4 18821 B13R1.164 C=C(F)CNc1ccc(cc1C)Cl 34a_100000210418_100009893438 [0,3,0,0,0,0|1,0,0]=4 18822 B13R1.164 C=C(F)CNc1ccc(cc1C)Cl 7a_100000210418_100000042424 [0,3,0,0,0,0|1,0,0]=4 18823 B13R1.164 C=C(F)CNc1ccc(cc1C)F 34a_100000211637_100009893438 [0,3,0,0,0,0|1,0,0]=4 18824 B13R1.164 C=C(F)CNc1ccc(cc1C)F 7a_100000211637_100000042424 [0,3,0,0,0,0|1,0,0]=4 18825 B13R1.164 C=C(F)CNc1ccc(cc1C)I 34a_100000184554_100009893438 [0,3,0,0,0,0|1,0,0]=4 18826 B13R1.164 C=C(F)CNc1ccc(cc1C)I 7a_100000184554_100000042424 [0,3,0,0,0,0|1,0,0]=4 18827 B13R1.164 C=C(F)CNc1ccc(cc1C)O 34a_100000756630_100009893438 [0,3,0,0,0,0|1,0,0]=4 18828 B13R1.164 C=C(F)CNc1ccc(cc1Cl)Br 34a_100000211467_100009893438 [0,3,0,0,0,0|1,0,0]=4 18829 B13R1.164 C=C(F)CNc1ccc(cc1Cl)C 34a_100000210522_100009893438 [0,3,0,0,0,0|1,0,0]=4 18830 B13R1.164 C=C(F)CNc1ccc(cc1Cl)Cl 34a_100000185861_100009893438 [0,3,0,0,0,0|1,0,0]=4 18831 B13R1.164 C=C(F)CNc1ccc(cc1Cl)F 34a_100000212003_100009893438 [0,3,0,0,0,0|1,0,0]=4 18832 B13R1.164 C=C(F)CNc1ccc(cc1Cl)I 34a_100011218065_100009893438 [0,3,0,0,0,0|1,0,0]=4 18833 B13R1.164 C=C(F)CNc1ccc(cc1Cl)O 34a_100011215599_100009893438 [0,3,0,0,0,0|1,0,0]=4 18834 B13R1.164 C=C(F)CNc1ccc(cc1F)Br 34a_100000210722_100009893438 [0,3,0,0,0,0|1,0,0]=4 18835 B13R1.164 C=C(F)CNc1ccc(cc1F)C 34a_100000211023_100009893438 [0,3,0,0,0,0|1,0,0]=4 18836 B13R1.164 C=C(F)CNc1ccc(cc1F)Cl 34a_100000211020_100009893438 [0,3,0,0,0,0|1,0,0]=4 18837 B13R1.164 C=C(F)CNc1ccc(cc1F)F 34a_100000210720_100009893438 [0,3,0,0,0,0|1,0,0]=4 18838 B13R1.164 C=C(F)CNc1ccc(cc1F)I 34a_100011215594_100009893438 [0,3,0,0,0,0|1,0,0]=4 18839 B13R1.164 C=C(F)CNc1ccc(cc1F)O 34a_100000759473_100009893438 [0,3,0,0,0,0|1,0,0]=4 18840 B13R1.164 C=C(F)CNc1ccc(cc1I)Br 34a_100000187925_100009893438 [0,3,0,0,0,0|1,0,0]=4 18841 B13R1.164 C=C(F)CNc1ccc(cc1I)C 34a_100011356834_100009893438 [0,3,0,0,0,0|1,0,0]=4 18842 B13R1.164 C=C(F)CNc1ccc(cc1I)Cl 34a_100000761889_100009893438 [0,3,0,0,0,0|1,0,0]=4 18843 B13R1.164 C=C(F)CNc1ccc(cc1I)F 34a_100000760547_100009893438 [0,3,0,0,0,0|1,0,0]=4 18844 B13R1.164 C=C(F)CNc1ccc(cc1I)O 34a_100010084370_100009893438 [0,3,0,0,0,0|1,0,0]=4 18845 B13R1.164 C=C(F)CNc1ccc(cc1O)Br 34a_100000739049_100009893438 [0,3,0,0,0,0|1,0,0]=4 18846 B13R1.164 C=C(F)CNc1ccc(cc1O)C 34a_100000211527_100009893438 [0,3,0,0,0,0|1,0,0]=4 18847 B13R1.164 C=C(F)CNc1ccc(cc1O)Cl 34a_100000185728_100009893438 [0,3,0,0,0,0|1,0,0]=4 18848 B13R1.164 C=C(F)CNc1ccc(cc1O)F 34a_100000753323_100009893438 [0,3,0,0,0,0|1,0,0]=4 18849 B13R1.164 C=C(F)CNc1ccc(cc1O)O 34a_100000106777_100009893438 [0,3,0,0,0,0|1,0,0]=4 18850 B13R1.164 C=C(F)COc1ccc(cc1Br)Br 34a_100000188717_100009893438 [0,3,0,0,0,0|0,0,0]=3 18851 B13R1.164 C=C(F)COc1ccc(cc1Br)Br 7a_100000188717_100000042424 [0,3,0,0,0,0|0,0,0]=3 18852 B13R1.164 C=C(F)COc1ccc(cc1Br)C 34a_100000210800_100009893438 [0,3,0,0,0,0|0,0,0]=3 18853 B13R1.164 C=C(F)COc1ccc(cc1Br)C 7a_100000210800_100000042424 [0,3,0,0,0,0|0,0,0]=3 18854 B13R1.164 C=C(F)COc1ccc(cc1Br)Cl 34a_100000211998_100009893438 [0,3,0,0,0,0|0,0,0]=3 18855 B13R1.164 C=C(F)COc1ccc(cc1Br)Cl 7a_100000211998_100000042424 [0,3,0,0,0,0|0,0,0]=3 18856 B13R1.164 C=C(F)COc1ccc(cc1Br)F 34a_100000211999_100009893438 [0,3,0,0,0,0|0,0,0]=3 18857 B13R1.164 C=C(F)COc1ccc(cc1Br)F 7a_100000211999_100000042424 [0,3,0,0,0,0|0,0,0]=3 18858 B13R1.164 C=C(F)COc1ccc(cc1Br)I 34a_100012361655_100009893438 [0,3,0,0,0,0|0,0,0]=3 18859 B13R1.164 C=C(F)COc1ccc(cc1Br)I 7a_100012361655_100000042424 [0,3,0,0,0,0|0,0,0]=3 18860 B13R1.164 C=C(F)COc1ccc(cc1Br)N 34a_100011534360_100009893438 [0,3,0,0,0,0|0,0,0]=3 18861 B13R1.164 C=C(F)COc1ccc(cc1Br)N 7a_100011534360_100000042424 [0,3,0,0,0,0|0,0,0]=3 18862 B13R1.164 C=C(F)COc1ccc(cc1C)Br 34a_100000186361_100009893438 [0,3,0,0,0,0|0,0,0]=3 18863 B13R1.164 C=C(F)COc1ccc(cc1C)Br 7a_100000186361_100000042424 [0,3,0,0,0,0|0,0,0]=3 18864 B13R1.164 C=C(F)COc1ccc(cc1C)C 34a_100000211776_100009893438 [0,3,0,0,0,0|0,0,0]=3 18865 B13R1.164 C=C(F)COc1ccc(cc1C)C 7a_100000211776_100000042424 [0,3,0,0,0,0|0,0,0]=3 18866 B13R1.164 C=C(F)COc1ccc(cc1C)Cl 34a_100000211091_100009893438 [0,3,0,0,0,0|0,0,0]=3 18867 B13R1.164 C=C(F)COc1ccc(cc1C)Cl 7a_100000211091_100000042424 [0,3,0,0,0,0|0,0,0]=3 18868 B13R1.164 C=C(F)COc1ccc(cc1C)F 34a_100000764316_100009893438 [0,3,0,0,0,0|0,0,0]=3 18869 B13R1.164 C=C(F)COc1ccc(cc1C)F 7a_100000764316_100000042424 [0,3,0,0,0,0|0,0,0]=3 18870 B13R1.164 C=C(F)COc1ccc(cc1C)I 34a_100011218673_100009893438 [0,3,0,0,0,0|0,0,0]=3 18871 B13R1.164 C=C(F)COc1ccc(cc1C)I 7a_100011218673_100000042424 [0,3,0,0,0,0|0,0,0]=3 18872 B13R1.164 C=C(F)COc1ccc(cc1C)N 34a_100011218179_100009893438 [0,3,0,0,0,0|0,0,0]=3 18873 B13R1.164 C=C(F)COc1ccc(cc1C)N 7a_100011218179_100000042424 [0,3,0,0,0,0|0,0,0]=3 18874 B13R1.164 C=C(F)COc1ccc(cc1Cl)Br 34a_100000186472_100009893438 [0,3,0,0,0,0|0,0,0]=3 18875 B13R1.164 C=C(F)COc1ccc(cc1Cl)Br 7a_100000186472_100000042424 [0,3,0,0,0,0|0,0,0]=3 18876 B13R1.164 C=C(F)COc1ccc(cc1Cl)C 34a_100000749699_100009893438 [0,3,0,0,0,0|0,0,0]=3 18877 B13R1.164 C=C(F)COc1ccc(cc1Cl)C 7a_100000749699_100000042424 [0,3,0,0,0,0|0,0,0]=3 18878 B13R1.164 C=C(F)COc1ccc(cc1Cl)Cl 34a_100015191787_100009893438 [0,3,0,0,0,0|0,0,0]=3 18879 B13R1.164 C=C(F)COc1ccc(cc1Cl)Cl 7a_100015191787_100000042424 [0,3,0,0,0,0|0,0,0]=3 18880 B13R1.164 C=C(F)COc1ccc(cc1Cl)F 34a_100000212004_100009893438 [0,3,0,0,0,0|0,0,0]=3 18881 B13R1.164 C=C(F)COc1ccc(cc1Cl)F 7a_100000212004_100000042424 [0,3,0,0,0,0|0,0,0]=3 18882 B13R1.164 C=C(F)COc1ccc(cc1Cl)I 34a_100012360047_100009893438 [0,3,0,0,0,0|0,0,0]=3 18883 B13R1.164 C=C(F)COc1ccc(cc1Cl)I 7a_100012360047_100000042424 [0,3,0,0,0,0|0,0,0]=3 18884 B13R1.164 C=C(F)COc1ccc(cc1Cl)N 34a_100000744943_100009893438 [0,3,0,0,0,0|0,0,0]=3 18885 B13R1.164 C=C(F)COc1ccc(cc1Cl)N 7a_100000744943_100000042424 [0,3,0,0,0,0|0,0,0]=3 18886 B13R1.164 C=C(F)COc1ccc(cc1F)Br 34a_100000185481_100009893438 [0,3,0,0,0,0|0,0,0]=3 18887 B13R1.164 C=C(F)COc1ccc(cc1F)Br 7a_100000185481_100000042424 [0,3,0,0,0,0|0,0,0]=3 18888 B13R1.164 C=C(F)COc1ccc(cc1F)C 34a_100011216688_100009893438 [0,3,0,0,0,0|0,0,0]=3 18889 B13R1.164 C=C(F)COc1ccc(cc1F)C 7a_100011216688_100000042424 [0,3,0,0,0,0|0,0,0]=3 18890 B13R1.164 C=C(F)COc1ccc(cc1F)Cl 34a_100000230166_100009893438 [0,3,0,0,0,0|0,0,0]=3 18891 B13R1.164 C=C(F)COc1ccc(cc1F)Cl 7a_100000230166_100000042424 [0,3,0,0,0,0|0,0,0]=3 18892 B13R1.164 C=C(F)COc1ccc(cc1F)F 34a_100000230127_100009893438 [0,3,0,0,0,0|0,0,0]=3 18893 B13R1.164 C=C(F)COc1ccc(cc1F)F 7a_100000230127_100000042424 [0,3,0,0,0,0|0,0,0]=3 18894 B13R1.164 C=C(F)COc1ccc(cc1F)I 34a_100011356965_100009893438 [0,3,0,0,0,0|0,0,0]=3 18895 B13R1.164 C=C(F)COc1ccc(cc1F)I 7a_100011356965_100000042424 [0,3,0,0,0,0|0,0,0]=3 18896 B13R1.164 C=C(F)COc1ccc(cc1F)N 34a_100011220035_100009893438 [0,3,0,0,0,0|0,0,0]=3 18897 B13R1.164 C=C(F)COc1ccc(cc1F)N 7a_100011220035_100000042424 [0,3,0,0,0,0|0,0,0]=3 18898 B13R1.164 C=C(F)COc1ccc(cc1I)Br 34a_100012355227_100009893438 [0,3,0,0,0,0|0,0,0]=3 18899 B13R1.164 C=C(F)COc1ccc(cc1I)Br 7a_100012355227_100000042424 [0,3,0,0,0,0|0,0,0]=3 18900 B13R1.164 C=C(F)COc1ccc(cc1I)C 34a_100000765521_100009893438 [0,3,0,0,0,0|0,0,0]=3 18901 B13R1.164 C=C(F)COc1ccc(cc1I)C 7a_100000765521_100000042424 [0,3,0,0,0,0|0,0,0]=3 18902 B13R1.164 C=C(F)COc1ccc(cc1I)Cl 34a_100011356953_100009893438 [0,3,0,0,0,0|0,0,0]=3 18903 B13R1.164 C=C(F)COc1ccc(cc1I)Cl 7a_100011356953_100000042424 [0,3,0,0,0,0|0,0,0]=3 18904 B13R1.164 C=C(F)COc1ccc(cc1I)F 34a_100012355409_100009893438 [0,3,0,0,0,0|0,0,0]=3 18905 B13R1.164 C=C(F)COc1ccc(cc1I)F 7a_100012355409_100000042424 [0,3,0,0,0,0|0,0,0]=3 18906 B13R1.164 C=C(F)COc1ccc(cc1I)I 7a_100010001573_100000042424 [0,3,0,0,0,0|0,0,0]=3 18907 B13R1.164 C=C(F)COc1ccc(cc1N)Br 34a_100000752626_100009893438 [0,3,0,0,0,0|0,0,0]=3 18908 B13R1.164 C=C(F)COc1ccc(cc1N)Br 7a_100000752626_100000042424 [0,3,0,0,0,0|0,0,0]=3 18909 B13R1.164 C=C(F)COc1ccc(cc1N)C 34a_100011215204_100009893438 [0,3,0,0,0,0|0,0,0]=3 18910 B13R1.164 C=C(F)COc1ccc(cc1N)C 7a_100011215204_100000042424 [0,3,0,0,0,0|0,0,0]=3 18911 B13R1.164 C=C(F)COc1ccc(cc1N)Cl 34a_100000210500_100009893438 [0,3,0,0,0,0|0,0,0]=3 18912 B13R1.164 C=C(F)COc1ccc(cc1N)Cl 7a_100000210500_100000042424 [0,3,0,0,0,0|0,0,0]=3 18913 B13R1.164 C=C(F)COc1ccc(cc1N)F 34a_100000759472_100009893438 [0,3,0,0,0,0|0,0,0]=3 18914 B13R1.164 C=C(F)COc1ccc(cc1N)F 7a_100000759472_100000042424 [0,3,0,0,0,0|0,0,0]=3 18915 B13R1.164 C=C(F)COc1ccc(cc1N)I 34a_100000753495_100009893438 [0,3,0,0,0,0|0,0,0]=3 18916 B13R1.164 C=C(F)COc1ccc(cc1N)I 7a_100000753495_100000042424 [0,3,0,0,0,0|0,0,0]=3 18917 B13R1.164 C=C(F)COc1ccc(cc1N)N 34a_100000725306_100009893438 [0,3,0,0,0,0|0,0,0]=3 18918 B13R1.164 C=C(F)COc1ccc(nc1Br)Br 34a_100009999766_100009893438 [0,3,0,0,0,0|1,0,0]=4 18919 B13R1.164 C=C(F)COc1ccc(nc1Br)Br 7a_100009999766_100000042424 [0,3,0,0,0,0|1,0,0]=4 18920 B13R1.164 C=C(F)COc1ccc(nc1Br)C 34a_100000702858_100009893438 [0,3,0,0,0,0|1,0,0]=4 18921 B13R1.164 C=C(F)COc1ccc(nc1Br)C 7a_100000702858_100000042424 [0,3,0,0,0,0|1,0,0]=4 18922 B13R1.164 C=C(F)COc1ccc(nc1Br)Cl 34a_100010219353_100009893438 [0,3,0,0,0,0|1,0,0]=4 18923 B13R1.164 C=C(F)COc1ccc(nc1Br)Cl 7a_100010219353_100000042424 [0,3,0,0,0,0|1,0,0]=4 18924 B13R1.164 C=C(F)COc1ccc(nc1Br)F 34a_100009887730_100009893438 [0,3,0,0,0,0|1,0,0]=4 18925 B13R1.164 C=C(F)COc1ccc(nc1Br)F 7a_100009887730_100000042424 [0,3,0,0,0,0|1,0,0]=4 18926 B13R1.164 C=C(F)COc1ccc(nc1Br)I 34a_100000725334_100009893438 [0,3,0,0,0,0|1,0,0]=4 18927 B13R1.164 C=C(F)COc1ccc(nc1Br)I 7a_100000725334_100000042424 [0,3,0,0,0,0|1,0,0]=4 18928 B13R1.164 C=C(F)COc1ccc(nc1C)Br 34a_100012002022_100009893438 [0,3,0,0,0,0|1,0,0]=4 18929 B13R1.164 C=C(F)COc1ccc(nc1C)Br 7a_100012002022_100000042424 [0,3,0,0,0,0|1,0,0]=4 18930 B13R1.164 C=C(F)COc1ccc(nc1C)C 34a_100011218912_100009893438 [0,3,0,0,0,0|1,0,0]=4 18931 B13R1.164 C=C(F)COc1ccc(nc1C)C 7a_100011218912_100000042424 [0,3,0,0,0,0|1,0,0]=4 18932 B13R1.164 C=C(F)COc1ccc(nc1C)Cl 34a_100012184626_100009893438 [0,3,0,0,0,0|1,0,0]=4 18933 B13R1.164 C=C(F)COc1ccc(nc1C)Cl 7a_100012184626_100000042424 [0,3,0,0,0,0|1,0,0]=4 18934 B13R1.164 C=C(F)COc1ccc(nc1C)F 34a_100009881036_100009893438 [0,3,0,0,0,0|1,0,0]=4 18935 B13R1.164 C=C(F)COc1ccc(nc1C)F 7a_100009881036_100000042424 [0,3,0,0,0,0|1,0,0]=4 18936 B13R1.164 C=C(F)COc1ccc(nc1C)I 34a_100010233687_100009893438 [0,3,0,0,0,0|1,0,0]=4 18937 B13R1.164 C=C(F)COc1ccc(nc1C)I 7a_100010233687_100000042424 [0,3,0,0,0,0|1,0,0]=4 18938 B13R1.164 C=C(F)COc1ccc(nc1Cl)Br 34a_100010246206_100009893438 [0,3,0,0,0,0|1,0,0]=4 18939 B13R1.164 C=C(F)COc1ccc(nc1Cl)Br 7a_100010246206_100000042424 [0,3,0,0,0,0|1,0,0]=4 18940 B13R1.164 C=C(F)COc1ccc(nc1Cl)C 34a_100000086286_100009893438 [0,3,0,0,0,0|1,0,0]=4 18941 B13R1.164 C=C(F)COc1ccc(nc1Cl)C 7a_100000086286_100000042424 [0,3,0,0,0,0|1,0,0]=4 18942 B13R1.164 C=C(F)COc1ccc(nc1Cl)Cl 34a_100000101165_100009893438 [0,3,0,0,0,0|1,0,0]=4 18943 B13R1.164 C=C(F)COc1ccc(nc1Cl)Cl 7a_100000101165_100000042424 [0,3,0,0,0,0|1,0,0]=4 18944 B13R1.164 C=C(F)COc1ccc(nc1Cl)I 34a_100000721234_100009893438 [0,3,0,0,0,0|1,0,0]=4 18945 B13R1.164 C=C(F)COc1ccc(nc1Cl)I 7a_100000721234_100000042424 [0,3,0,0,0,0|1,0,0]=4 18946 B13R1.164 C=C(F)COc1ccc(nc1F)Br 34a_100009819667_100009893438 [0,3,0,0,0,0|1,0,0]=4 18947 B13R1.164 C=C(F)COc1ccc(nc1F)Br 7a_100009819667_100000042424 [0,3,0,0,0,0|1,0,0]=4 18948 B13R1.164 C=C(F)COc1ccc(nc1F)C 34a_100000079963_100009893438 [0,3,0,0,0,0|1,0,0]=4 18949 B13R1.164 C=C(F)COc1ccc(nc1F)C 7a_100000079963_100000042424 [0,3,0,0,0,0|1,0,0]=4 18950 B13R1.164 C=C(F)COc1ccc(nc1F)Cl 34a_100009880201_100009893438 [0,3,0,0,0,0|1,0,0]=4 18951 B13R1.164 C=C(F)COc1ccc(nc1F)Cl 7a_100009880201_100000042424 [0,3,0,0,0,0|1,0,0]=4 18952 B13R1.164 C=C(F)COc1ccc(nc1F)F 34a_100000101184_100009893438 [0,3,0,0,0,0|1,0,0]=4 18953 B13R1.164 C=C(F)COc1ccc(nc1F)F 7a_100000101184_100000042424 [0,3,0,0,0,0|1,0,0]=4 18954 B13R1.164 C=C(F)COc1ccc(nc1I)Br 34a_100010253912_100009893438 [0,3,0,0,0,0|1,0,0]=4 18955 B13R1.164 C=C(F)COc1ccc(nc1I)Br 7a_100010253912_100000042424 [0,3,0,0,0,0|1,0,0]=4 18956 B13R1.164 C=C(F)COc1ccc(nc1I)C 34a_100000023897_100009893438 [0,3,0,0,0,0|1,0,0]=4 18957 B13R1.164 C=C(F)COc1ccc(nc1I)C 7a_100000023897_100000042424 [0,3,0,0,0,0|1,0,0]=4 18958 B13R1.164 C=C(F)COc1ccc(nc1I)Cl 34a_100000696390_100009893438 [0,3,0,0,0,0|1,0,0]=4 18959 B13R1.164 C=C(F)COc1ccc(nc1I)Cl 7a_100000696390_100000042424 [0,3,0,0,0,0|1,0,0]=4 18960 B13R1.164 C=C(F)COc1ccc(nc1I)F 34a_100010382442_100009893438 [0,3,0,0,0,0|1,0,0]=4 18961 B13R1.164 C=C(F)COc1ccc(nc1I)F 7a_100010382442_100000042424 [0,3,0,0,0,0|1,0,0]=4 18962 B13R1.164 C=C(F)COc1ccc(nc1N)Br 34a_100000685527_100009893438 [0,3,0,0,0,0|1,0,0]=4 18963 B13R1.164 C=C(F)COc1ccc(nc1N)Br 7a_100000685527_100000042424 [0,3,0,0,0,0|1,0,0]=4 18964 B13R1.164 C=C(F)COc1ccc(nc1N)C 34a_100000694039_100009893438 [0,3,0,0,0,0|1,0,0]=4 18965 B13R1.164 C=C(F)COc1ccc(nc1N)C 7a_100000694039_100000042424 [0,3,0,0,0,0|1,0,0]=4 18966 B13R1.164 C=C(F)COc1ccc(nc1N)Cl 34a_100000717809_100009893438 [0,3,0,0,0,0|1,0,0]=4 18967 B13R1.164 C=C(F)COc1ccc(nc1N)Cl 7a_100000717809_100000042424 [0,3,0,0,0,0|1,0,0]=4 18968 B13R1.164 C=C(F)COc1cnc(cc1Br)C 34a_100009843476_100009893438 [0,3,0,0,0,0|1,0,0]=4 18969 B13R1.164 C=C(F)COc1cnc(cc1Br)C 7a_100009843476_100000042424 [0,3,0,0,0,0|1,0,0]=4 18970 B13R1.164 C=C(F)COc1cnc(cc1C)C 34a_200000068632_100009893438 [0,3,0,0,0,0|1,0,0]=4 18971 B13R1.164 C=C(F)COc1cnc(cc1C)C 7a_200000068632_100000042424 [0,3,0,0,0,0|1,0,0]=4 18972 B13R1.164 C=C(F)COc1cnc(cc1C)Cl 34a_100000692680_100009893438 [0,3,0,0,0,0|1,0,0]=4 18973 B13R1.164 C=C(F)COc1cnc(cc1C)Cl 7a_100000692680_100000042424 [0,3,0,0,0,0|1,0,0]=4 18974 B13R1.164 C=C(F)COc1cnc(cc1C)F 34a_100009856773_100009893438 [0,3,0,0,0,0|1,0,0]=4 18975 B13R1.164 C=C(F)COc1cnc(cc1C)F 7a_100009856773_100000042424 [0,3,0,0,0,0|1,0,0]=4 18976 B13R1.164 C=C(F)COc1cnc(cc1Cl)Cl 34a_100009868576_100009893438 [0,3,0,0,0,0|1,0,0]=4 18977 B13R1.164 C=C(F)COc1cnc(cc1Cl)Cl 7a_100009868576_100000042424 [0,3,0,0,0,0|1,0,0]=4 18978 B13R1.164 C=C(F)COc1cnc(cc1F)F 34a_100009885687_100009893438 [0,3,0,0,0,0|1,0,0]=4 18979 B13R1.164 C=C(F)COc1cnc(cc1F)F 7a_100009885687_100000042424 [0,3,0,0,0,0|1,0,0]=4 18980 B13R1.164 C=C(F)COc1cnc(cc1I)Cl 34a_100000698892_100009893438 [0,3,0,0,0,0|1,0,0]=4 18981 B13R1.164 C=C(F)COc1cnc(cc1I)Cl 7a_100000698892_100000042424 [0,3,0,0,0,0|1,0,0]=4 18982 B13R1.164 C=C(F)COc1cnc(cc1N)Br 34a_100009819941_100009893438 [0,3,0,0,0,0|1,0,0]=4 18983 B13R1.164 C=C(F)COc1cnc(cc1N)Br 7a_100009819941_100000042424 [0,3,0,0,0,0|1,0,0]=4 18984 B13R1.164 C=C(F)COc1coc(cc1=O)C 34a_100000081520_100009893438 [0,3,0,0,0,0|1,0,0]=4 18985 B13R1.164 C=C(F)COc1ncc(cc1Br)Br 34a_100000701035_100009893438 [0,3,0,0,0,0|1,0,0]=4 18986 B13R1.164 C=C(F)COc1ncc(cc1Br)C 34a_100000719714_100009893438 [0,3,0,0,0,0|1,0,0]=4 18987 B13R1.164 C=C(F)COc1ncc(cc1C)Br 34a_100000685391_100009893438 [0,3,0,0,0,0|1,0,0]=4 18988 B13R1.164 C=C(F)COc1ncc(cc1Cl)Br 34a_100012339560_100009893438 [0,3,0,0,0,0|1,0,0]=4 18989 B13R1.164 C=C(F)COc1ncc(cc1Cl)F 34a_100009847679_100009893438 [0,3,0,0,0,0|1,0,0]=4 18990 B13R1.164 C=C(F)COc1ncc(cc1F)Cl 34a_100011998252_100009893438 [0,3,0,0,0,0|1,0,0]=4 18991 B13R1.164 C=C(F)COc1ncc(cc1F)F 34a_100012025737_100009893438 [0,3,0,0,0,0|1,0,0]=4 18992 B13R1.164 C=C(F)COc1ncc(cc1N)Br 34a_100000743729_100009893438 [0,3,0,0,0,0|1,0,0]=4 18993 B13R1.164 C=C(F)COc1ncc(cc1N)C 34a_100012000488_100009893438 [0,3,0,0,0,0|1,0,0]=4 18994 B13R1.164 C=C(F)COc1ncc(cc1N)Cl 34a_100011998249_100009893438 [0,3,0,0,0,0|1,0,0]=4 18995 B13R1.164 C=C(F)CSc1ccc(cc1Br)Br 62a_100000042424_100011484698 [0,3,0,0,0,0|0,1,0]=4 18996 B13R1.164 C=C(F)CSc1ccc(cc1Br)Br 62a_100011484698_100000042424 [0,3,0,0,0,0|0,1,0]=4 18997 B13R1.164 C=C(F)CSc1ccc(cc1Br)C 62a_100000042424_100009813563 [0,3,0,0,0,0|0,1,0]=4 18998 B13R1.164 C=C(F)CSc1ccc(cc1Br)C 62a_100009813563_100000042424 [0,3,0,0,0,0|0,1,0]=4 18999 B13R1.164 C=C(F)CSc1ccc(cc1Br)Cl 62a_100000042424_100011219703 [0,3,0,0,0,0|0,1,0]=4 19000 B13R1.164 C=C(F)CSc1ccc(cc1Br)Cl 62a_100011219703_100000042424 [0,3,0,0,0,0|0,1,0]=4 19001 B13R1.164 C=C(F)CSc1ccc(cc1Br)F 62a_100000042424_100011217111 [0,3,0,0,0,0|0,1,0]=4 19002 B13R1.164 C=C(F)CSc1ccc(cc1Br)F 62a_100011217111_100000042424 [0,3,0,0,0,0|0,1,0]=4 19003 B13R1.164 C=C(F)CSc1ccc(cc1Br)N 62a_100000042424_100000750458 [0,3,0,0,0,0|0,1,0]=4 19004 B13R1.164 C=C(F)CSc1ccc(cc1Br)N 62a_100000750458_100000042424 [0,3,0,0,0,0|0,1,0]=4 19005 B13R1.164 C=C(F)CSc1ccc(cc1Br)O 62a_100000042424_100000701344 [0,3,0,0,0,0|0,1,0]=4 19006 B13R1.164 C=C(F)CSc1ccc(cc1Br)O 62a_100000701344_100000042424 [0,3,0,0,0,0|0,1,0]=4 19007 B13R1.164 C=C(F)CSc1ccc(cc1C)Br 62a_100000042424_100000701812 [0,3,0,0,0,0|0,1,0]=4 19008 B13R1.164 C=C(F)CSc1ccc(cc1C)Br 62a_100000701812_100000042424 [0,3,0,0,0,0|0,1,0]=4 19009 B13R1.164 C=C(F)CSc1ccc(cc1C)C 62a_100000042424_100011217332 [0,3,0,0,0,0|0,1,0]=4 19010 B13R1.164 C=C(F)CSc1ccc(cc1C)C 62a_100011217332_100000042424 [0,3,0,0,0,0|0,1,0]=4 19011 B13R1.164 C=C(F)CSc1ccc(cc1C)Cl 62a_100000042424_100011219607 [0,3,0,0,0,0|0,1,0]=4 19012 B13R1.164 C=C(F)CSc1ccc(cc1C)Cl 62a_100011219607_100000042424 [0,3,0,0,0,0|0,1,0]=4 19013 B13R1.164 C=C(F)CSc1ccc(cc1C)F 62a_100000042424_100011205405 [0,3,0,0,0,0|0,1,0]=4 19014 B13R1.164 C=C(F)CSc1ccc(cc1C)F 62a_100011205405_100000042424 [0,3,0,0,0,0|0,1,0]=4 19015 B13R1.164 C=C(F)CSc1ccc(cc1C)N 62a_100000042424_100000210723 [0,3,0,0,0,0|0,1,0]=4 19016 B13R1.164 C=C(F)CSc1ccc(cc1C)N 62a_100000210723_100000042424 [0,3,0,0,0,0|0,1,0]=4 19017 B13R1.164 C=C(F)CSc1ccc(cc1C)O 62a_100000042424_100000690111 [0,3,0,0,0,0|0,1,0]=4 19018 B13R1.164 C=C(F)CSc1ccc(cc1Cl)Br 62a_100000042424_100011216062 [0,3,0,0,0,0|0,1,0]=4 19019 B13R1.164 C=C(F)CSc1ccc(cc1Cl)Br 62a_100011216062_100000042424 [0,3,0,0,0,0|0,1,0]=4 19020 B13R1.164 C=C(F)CSc1ccc(cc1Cl)C 62a_100000042424_100011263221 [0,3,0,0,0,0|0,1,0]=4 19021 B13R1.164 C=C(F)CSc1ccc(cc1Cl)C 62a_100011263221_100000042424 [0,3,0,0,0,0|0,1,0]=4 19022 B13R1.164 C=C(F)CSc1ccc(cc1Cl)Cl 62a_100000042424_100000699841 [0,3,0,0,0,0|0,1,0]=4 19023 B13R1.164 C=C(F)CSc1ccc(cc1Cl)Cl 62a_100000699841_100000042424 [0,3,0,0,0,0|0,1,0]=4 19024 B13R1.164 C=C(F)CSc1ccc(cc1Cl)F 62a_100000042424_100000733362 [0,3,0,0,0,0|0,1,0]=4 19025 B13R1.164 C=C(F)CSc1ccc(cc1Cl)F 62a_100000733362_100000042424 [0,3,0,0,0,0|0,1,0]=4 19026 B13R1.164 C=C(F)CSc1ccc(cc1Cl)N 62a_100000042424_100000761885 [0,3,0,0,0,0|0,1,0]=4 19027 B13R1.164 C=C(F)CSc1ccc(cc1Cl)N 62a_100000761885_100000042424 [0,3,0,0,0,0|0,1,0]=4 19028 B13R1.164 C=C(F)CSc1ccc(cc1Cl)O 62a_100000042424_100000047559 [0,3,0,0,0,0|0,1,0]=4 19029 B13R1.164 C=C(F)CSc1ccc(cc1Cl)O 62a_100000047559_100000042424 [0,3,0,0,0,0|0,1,0]=4 19030 B13R1.164 C=C(F)CSc1ccc(cc1F)Br 62a_100000042424_100009814013 [0,3,0,0,0,0|0,1,0]=4 19031 B13R1.164 C=C(F)CSc1ccc(cc1F)Br 62a_100009814013_100000042424 [0,3,0,0,0,0|0,1,0]=4 19032 B13R1.164 C=C(F)CSc1ccc(cc1F)C 62a_100000042424_100011216119 [0,3,0,0,0,0|0,1,0]=4 19033 B13R1.164 C=C(F)CSc1ccc(cc1F)C 62a_100011216119_100000042424 [0,3,0,0,0,0|0,1,0]=4 19034 B13R1.164 C=C(F)CSc1ccc(cc1F)Cl 62a_100000042424_100011216042 [0,3,0,0,0,0|0,1,0]=4 19035 B13R1.164 C=C(F)CSc1ccc(cc1F)Cl 62a_100011216042_100000042424 [0,3,0,0,0,0|0,1,0]=4 19036 B13R1.164 C=C(F)CSc1ccc(cc1F)F 62a_100000042424_100000750030 [0,3,0,0,0,0|0,1,0]=4 19037 B13R1.164 C=C(F)CSc1ccc(cc1F)F 62a_100000750030_100000042424 [0,3,0,0,0,0|0,1,0]=4 19038 B13R1.164 C=C(F)CSc1ccc(cc1F)N 62a_100000042424_100011356925 [0,3,0,0,0,0|0,1,0]=4 19039 B13R1.164 C=C(F)CSc1ccc(cc1F)N 62a_100011356925_100000042424 [0,3,0,0,0,0|0,1,0]=4 19040 B13R1.164 C=C(F)CSc1ccc(cc1F)O 62a_100000042424_100000755031 [0,3,0,0,0,0|0,1,0]=4 19041 B13R1.164 C=C(F)CSc1ccc(cc1F)O 62a_100000755031_100000042424 [0,3,0,0,0,0|0,1,0]=4 19042 B13R1.164 C=C(F)CSc1ccc(cc1N)Br 62a_100000042424_100000743836 [0,3,0,0,0,0|0,1,0]=4 19043 B13R1.164 C=C(F)CSc1ccc(cc1N)Br 62a_100000743836_100000042424 [0,3,0,0,0,0|0,1,0]=4 19044 B13R1.164 C=C(F)CSc1ccc(cc1N)C 62a_100000042424_100011216686 [0,3,0,0,0,0|0,1,0]=4 19045 B13R1.164 C=C(F)CSc1ccc(cc1N)C 62a_100011216686_100000042424 [0,3,0,0,0,0|0,1,0]=4 19046 B13R1.164 C=C(F)CSc1ccc(cc1N)Cl 62a_100000042424_100000761886 [0,3,0,0,0,0|0,1,0]=4 19047 B13R1.164 C=C(F)CSc1ccc(cc1N)Cl 62a_100000761886_100000042424 [0,3,0,0,0,0|0,1,0]=4 19048 B13R1.164 C=C(F)CSc1ccc(cc1N)F 62a_100000042424_100000687223 [0,3,0,0,0,0|0,1,0]=4 19049 B13R1.164 C=C(F)CSc1ccc(cc1N)F 62a_100000687223_100000042424 [0,3,0,0,0,0|0,1,0]=4 19050 B13R1.164 C=C(F)CSc1ccc(cc1N)N 62a_100000042424_200012175722 [0,3,0,0,0,0|0,1,0]=4 19051 B13R1.164 C=C(F)CSc1ccc(cc1N)N 62a_200012175722_100000042424 [0,3,0,0,0,0|0,1,0]=4 19052 B13R1.164 C=C(F)CSc1ccc(cc1N)O 62a_100000042424_100011999798 [0,3,0,0,0,0|0,1,0]=4 19053 B13R1.164 C=C(F)CSc1ccc(cc1N)O 62a_100011999798_100000042424 [0,3,0,0,0,0|0,1,0]=4 19054 B13R1.164 C=C(F)CSc1ccc(cc1O)Br 62a_100000042424_100012344904 [0,3,0,0,0,0|0,1,0]=4 19055 B13R1.164 C=C(F)CSc1ccc(cc1O)Br 62a_100012344904_100000042424 [0,3,0,0,0,0|0,1,0]=4 19056 B13R1.164 C=C(F)CSc1ccc(cc1O)C 62a_100000042424_100012002257 [0,3,0,0,0,0|0,1,0]=4 19057 B13R1.164 C=C(F)CSc1ccc(cc1O)C 62a_100012002257_100000042424 [0,3,0,0,0,0|0,1,0]=4 19058 B13R1.164 C=C(F)CSc1ccc(cc1O)Cl 62a_100000042424_100000050036 [0,3,0,0,0,0|0,1,0]=4 19059 B13R1.164 C=C(F)CSc1ccc(cc1O)Cl 62a_100000050036_100000042424 [0,3,0,0,0,0|0,1,0]=4 19060 B13R1.164 C=C(F)CSc1ccc(cc1O)F 62a_100000042424_100000690578 [0,3,0,0,0,0|0,1,0]=4 19061 B13R1.164 C=C(F)CSc1ccc(cc1O)F 62a_100000690578_100000042424 [0,3,0,0,0,0|0,1,0]=4 19062 B13R1.164 C=C(F)CSc1ccc(cc1O)O 62a_100000042424_100009813921 [0,3,0,0,0,0|0,1,0]=4 19063 B13R1.164 CC(=O)COc1ccc(cc1Br)Br 1458a_200000181479_200000210301 [0,3,0,0,0,0|0,0,1]=4 19064 B13R1.164 CC(=O)COc1ccc(cc1Br)C 1458a_100000186371_200000210301 [0,3,0,0,0,0|0,0,1]=4 19065 B13R1.164 CC(=O)COc1ccc(cc1Br)Cl 1458a_100000184090_200000210301 [0,3,0,0,0,0|0,0,1]=4 19066 B13R1.164 CC(=O)COc1ccc(cc1Br)F 1458a_100000184067_200000210301 [0,3,0,0,0,0|0,0,1]=4 19067 B13R1.164 CC(=O)COc1ccc(cc1C)C 1458a_200000185146_200000210301 [0,3,0,0,0,0|0,0,1]=4 19068 B13R1.164 CC(=O)COc1ccc(cc1C)Cl 1458a_100000182498_200000210301 [0,3,0,0,0,0|0,0,1]=4 19069 B13R1.164 CC(=O)COc1ccc(cc1Cl)Br 1458a_100000185252_200000210301 [0,3,0,0,0,0|0,0,1]=4 19070 B13R1.164 CC(=O)COc1ccc(cc1Cl)C 1458a_200011725833_200000210301 [0,3,0,0,0,0|0,0,1]=4 19071 B13R1.164 CC(=O)COc1ccc(cc1Cl)Cl 1458a_100102647096_200000210301 [0,3,0,0,0,0|0,0,1]=4 19072 B13R1.164 CC(=O)COc1ccc(cc1Cl)F 1458a_100000191239_200000210301 [0,3,0,0,0,0|0,0,1]=4 19073 B13R1.164 CC(=O)COc1ccc(cc1F)Br 1458a_100000184069_200000210301 [0,3,0,0,0,0|0,0,1]=4 19074 B13R1.164 CC(=O)COc1ccc(cc1F)Cl 1458a_100012771990_200000210301 [0,3,0,0,0,0|0,0,1]=4 19075 B13R1.164 CC(=O)COc1ccc(cc1F)F 1458a_100000737261_200000210301 [0,3,0,0,0,0|0,0,1]=4 19076 B13R1.164 CC(=O)COc1ccc(cc1O)Cl 1458a_100010174420_200000210301 [0,3,0,0,0,0|0,0,1]=4 19077 B13R1.164 Cc1cc(ccc1OCC(=O)N)Br 34a_100000186361_100000187820 [0,3,0,0,0,0|1,0,0]=4 19078 B13R1.164 Cc1cc(ccc1OCC(=O)N)Br 7a_100000186361_100000187820 [0,3,0,0,0,0|1,0,0]=4 19079 B13R1.164 Cc1cc(ccc1OCC(=O)N)Cl 34a_100000211091_100000187820 [0,3,0,0,0,0|1,0,0]=4 19080 B13R1.164 Cc1cc(ccc1OCC(=O)N)Cl 7a_100000211091_100000187820 [0,3,0,0,0,0|1,0,0]=4 19081 B13R1.164 Cc1cc(ccc1OCC(=O)N)F 34a_100000764316_100000187820 [0,3,0,0,0,0|1,0,0]=4 19082 B13R1.164 Cc1cc(ccc1OCC(=O)N)F 7a_100000764316_100000187820 [0,3,0,0,0,0|1,0,0]=4 19083 B13R1.164 Cc1cc(ccc1OCC(=O)N)I 34a_100011218673_100000187820 [0,3,0,0,0,0|1,0,0]=4 19084 B13R1.164 Cc1cc(ccc1OCC(=O)N)I 7a_100011218673_100000187820 [0,3,0,0,0,0|1,0,0]=4 19085 B13R1.164 Cc1cc(ccc1OCC(=O)N)N 34a_100011218179_100000187820 [0,3,0,0,0,0|1,0,0]=4 19086 B13R1.164 Cc1cc(ccc1OCC(=O)N)N 7a_100011218179_100000187820 [0,3,0,0,0,0|1,0,0]=4 19087 B13R1.164 Cc1cc(ccc1OCC(=O)[13CH3])Cl 1458a_100000182498_200025704644 [0,3,0,0,0,0|0,0,1]=4 19088 B13R1.164 Cc1cc(ccc1OCC(=O)[O-])Br 34a_100000186361_100020667443 [0,3,0,0,0,0|1,0,0]=4 19089 B13R1.164 Cc1cc(ccc1OCC(=O)[O-])Cl 34a_100000211091_100020667443 [0,3,0,0,0,0|1,0,0]=4 19090 B13R1.164 Cc1cc(ccc1OCC(=O)[O-])F 34a_100000764316_100020667443 [0,3,0,0,0,0|1,0,0]=4 19091 B13R1.164 Cc1cc(ccc1OCC(=O)[O-])I 34a_100011218673_100020667443 [0,3,0,0,0,0|1,0,0]=4 19092 B13R1.164 Cc1cc(ccc1OCC(=O)[O-])N 34a_100011218179_100020667443 [0,3,0,0,0,0|1,0,0]=4 19093 B13R1.164 Cc1ccc(c(c1)Br)OCC(=O)N 34a_100000210800_100000187820 [0,3,0,0,0,0|1,0,0]=4 19094 B13R1.164 Cc1ccc(c(c1)Br)OCC(=O)N 7a_100000210800_100000187820 [0,3,0,0,0,0|1,0,0]=4 19095 B13R1.164 Cc1ccc(c(c1)Br)OCC(=O)[13CH3] 1458a_100000186371_200025704644 [0,3,0,0,0,0|0,0,1]=4 19096 B13R1.164 Cc1ccc(c(c1)Br)OCC(=O)[O-] 34a_100000210800_100020667443 [0,3,0,0,0,0|1,0,0]=4 19097 B13R1.164 Cc1ccc(c(c1)C)OCC(=O)N 34a_100000211776_100000187820 [0,3,0,0,0,0|1,0,0]=4 19098 B13R1.164 Cc1ccc(c(c1)C)OCC(=O)N 7a_100000211776_100000187820 [0,3,0,0,0,0|1,0,0]=4 19099 B13R1.164 Cc1ccc(c(c1)C)OCC(=O)[13CH3] 1458a_200000185146_200025704644 [0,3,0,0,0,0|0,0,1]=4 19100 B13R1.164 Cc1ccc(c(c1)C)OCC(=O)[O-] 34a_100000211776_100020667443 [0,3,0,0,0,0|1,0,0]=4 19101 B13R1.164 Cc1ccc(c(c1)Cl)OCC(=O)N 34a_100000749699_100000187820 [0,3,0,0,0,0|1,0,0]=4 19102 B13R1.164 Cc1ccc(c(c1)Cl)OCC(=O)N 7a_100000749699_100000187820 [0,3,0,0,0,0|1,0,0]=4 19103 B13R1.164 Cc1ccc(c(c1)Cl)OCC(=O)[13CH3] 1458a_200011725833_200025704644 [0,3,0,0,0,0|0,0,1]=4 19104 B13R1.164 Cc1ccc(c(c1)Cl)OCC(=O)[O-] 34a_100000749699_100020667443 [0,3,0,0,0,0|1,0,0]=4 19105 B13R1.164 Cc1ccc(c(c1)F)OCC(=O)N 34a_100011216688_100000187820 [0,3,0,0,0,0|1,0,0]=4 19106 B13R1.164 Cc1ccc(c(c1)F)OCC(=O)N 7a_100011216688_100000187820 [0,3,0,0,0,0|1,0,0]=4 19107 B13R1.164 Cc1ccc(c(c1)F)OCC(=O)[O-] 34a_100011216688_100020667443 [0,3,0,0,0,0|1,0,0]=4 19108 B13R1.164 Cc1ccc(c(c1)I)OCC(=O)N 34a_100000765521_100000187820 [0,3,0,0,0,0|1,0,0]=4 19109 B13R1.164 Cc1ccc(c(c1)I)OCC(=O)N 7a_100000765521_100000187820 [0,3,0,0,0,0|1,0,0]=4 19110 B13R1.164 Cc1ccc(c(c1)I)OCC(=O)[O-] 34a_100000765521_100020667443 [0,3,0,0,0,0|1,0,0]=4 19111 B13R1.164 Cc1ccc(c(c1)N)OCC(=O)N 34a_100011215204_100000187820 [0,3,0,0,0,0|1,0,0]=4 19112 B13R1.164 Cc1ccc(c(c1)N)OCC(=O)N 7a_100011215204_100000187820 [0,3,0,0,0,0|1,0,0]=4 19113 B13R1.164 Cc1ccc(c(c1)N)OCC(=O)[O-] 34a_100011215204_100020667443 [0,3,0,0,0,0|1,0,0]=4 19114 B13R1.164 Cc1ccc(c(c1)O)OCC(=O)N 271570a_203496583355_200000148664 [0,3,0,0,0,0|1,0,0]=4 19115 B13R1.164 NC(=O)COc1ccc(cc1Br)Br 34a_100000188717_100000187820 [0,3,0,0,0,0|1,0,0]=4 19116 B13R1.164 NC(=O)COc1ccc(cc1Br)Br 7a_100000188717_100000187820 [0,3,0,0,0,0|1,0,0]=4 19117 B13R1.164 NC(=O)COc1ccc(cc1Br)Cl 34a_100000211998_100000187820 [0,3,0,0,0,0|1,0,0]=4 19118 B13R1.164 NC(=O)COc1ccc(cc1Br)Cl 7a_100000211998_100000187820 [0,3,0,0,0,0|1,0,0]=4 19119 B13R1.164 NC(=O)COc1ccc(cc1Br)F 34a_100000211999_100000187820 [0,3,0,0,0,0|1,0,0]=4 19120 B13R1.164 NC(=O)COc1ccc(cc1Br)F 7a_100000211999_100000187820 [0,3,0,0,0,0|1,0,0]=4 19121 B13R1.164 NC(=O)COc1ccc(cc1Br)I 34a_100012361655_100000187820 [0,3,0,0,0,0|1,0,0]=4 19122 B13R1.164 NC(=O)COc1ccc(cc1Br)I 7a_100012361655_100000187820 [0,3,0,0,0,0|1,0,0]=4 19123 B13R1.164 NC(=O)COc1ccc(cc1Br)N 34a_100011534360_100000187820 [0,3,0,0,0,0|1,0,0]=4 19124 B13R1.164 NC(=O)COc1ccc(cc1Br)N 7a_100011534360_100000187820 [0,3,0,0,0,0|1,0,0]=4 19125 B13R1.164 NC(=O)COc1ccc(cc1Cl)Br 34a_100000186472_100000187820 [0,3,0,0,0,0|1,0,0]=4 19126 B13R1.164 NC(=O)COc1ccc(cc1Cl)Br 7a_100000186472_100000187820 [0,3,0,0,0,0|1,0,0]=4 19127 B13R1.164 NC(=O)COc1ccc(cc1Cl)Cl 34a_100015191787_100000187820 [0,3,0,0,0,0|1,0,0]=4 19128 B13R1.164 NC(=O)COc1ccc(cc1Cl)Cl 7a_100015191787_100000187820 [0,3,0,0,0,0|1,0,0]=4 19129 B13R1.164 NC(=O)COc1ccc(cc1Cl)F 34a_100000212004_100000187820 [0,3,0,0,0,0|1,0,0]=4 19130 B13R1.164 NC(=O)COc1ccc(cc1Cl)F 7a_100000212004_100000187820 [0,3,0,0,0,0|1,0,0]=4 19131 B13R1.164 NC(=O)COc1ccc(cc1Cl)I 34a_100012360047_100000187820 [0,3,0,0,0,0|1,0,0]=4 19132 B13R1.164 NC(=O)COc1ccc(cc1Cl)I 7a_100012360047_100000187820 [0,3,0,0,0,0|1,0,0]=4 19133 B13R1.164 NC(=O)COc1ccc(cc1Cl)N 34a_100000744943_100000187820 [0,3,0,0,0,0|1,0,0]=4 19134 B13R1.164 NC(=O)COc1ccc(cc1Cl)N 7a_100000744943_100000187820 [0,3,0,0,0,0|1,0,0]=4 19135 B13R1.164 NC(=O)COc1ccc(cc1F)Br 34a_100000185481_100000187820 [0,3,0,0,0,0|1,0,0]=4 19136 B13R1.164 NC(=O)COc1ccc(cc1F)Br 7a_100000185481_100000187820 [0,3,0,0,0,0|1,0,0]=4 19137 B13R1.164 NC(=O)COc1ccc(cc1F)Cl 34a_100000230166_100000187820 [0,3,0,0,0,0|1,0,0]=4 19138 B13R1.164 NC(=O)COc1ccc(cc1F)Cl 7a_100000230166_100000187820 [0,3,0,0,0,0|1,0,0]=4 19139 B13R1.164 NC(=O)COc1ccc(cc1F)F 34a_100000230127_100000187820 [0,3,0,0,0,0|1,0,0]=4 19140 B13R1.164 NC(=O)COc1ccc(cc1F)F 7a_100000230127_100000187820 [0,3,0,0,0,0|1,0,0]=4 19141 B13R1.164 NC(=O)COc1ccc(cc1F)I 34a_100011356965_100000187820 [0,3,0,0,0,0|1,0,0]=4 19142 B13R1.164 NC(=O)COc1ccc(cc1F)I 7a_100011356965_100000187820 [0,3,0,0,0,0|1,0,0]=4 19143 B13R1.164 NC(=O)COc1ccc(cc1F)N 34a_100011220035_100000187820 [0,3,0,0,0,0|1,0,0]=4 19144 B13R1.164 NC(=O)COc1ccc(cc1F)N 7a_100011220035_100000187820 [0,3,0,0,0,0|1,0,0]=4 19145 B13R1.164 NC(=O)COc1ccc(cc1I)Br 34a_100012355227_100000187820 [0,3,0,0,0,0|1,0,0]=4 19146 B13R1.164 NC(=O)COc1ccc(cc1I)Br 7a_100012355227_100000187820 [0,3,0,0,0,0|1,0,0]=4 19147 B13R1.164 NC(=O)COc1ccc(cc1I)Cl 34a_100011356953_100000187820 [0,3,0,0,0,0|1,0,0]=4 19148 B13R1.164 NC(=O)COc1ccc(cc1I)Cl 7a_100011356953_100000187820 [0,3,0,0,0,0|1,0,0]=4 19149 B13R1.164 NC(=O)COc1ccc(cc1I)F 34a_100012355409_100000187820 [0,3,0,0,0,0|1,0,0]=4 19150 B13R1.164 NC(=O)COc1ccc(cc1I)F 7a_100012355409_100000187820 [0,3,0,0,0,0|1,0,0]=4 19151 B13R1.164 NC(=O)COc1ccc(cc1I)I 7a_100010001573_100000187820 [0,3,0,0,0,0|1,0,0]=4 19152 B13R1.164 NC(=O)COc1ccc(cc1N)Br 34a_100000752626_100000187820 [0,3,0,0,0,0|1,0,0]=4 19153 B13R1.164 NC(=O)COc1ccc(cc1N)Br 7a_100000752626_100000187820 [0,3,0,0,0,0|1,0,0]=4 19154 B13R1.164 NC(=O)COc1ccc(cc1N)Cl 34a_100000210500_100000187820 [0,3,0,0,0,0|1,0,0]=4 19155 B13R1.164 NC(=O)COc1ccc(cc1N)Cl 7a_100000210500_100000187820 [0,3,0,0,0,0|1,0,0]=4 19156 B13R1.164 NC(=O)COc1ccc(cc1N)F 34a_100000759472_100000187820 [0,3,0,0,0,0|1,0,0]=4 19157 B13R1.164 NC(=O)COc1ccc(cc1N)F 7a_100000759472_100000187820 [0,3,0,0,0,0|1,0,0]=4 19158 B13R1.164 NC(=O)COc1ccc(cc1N)I 34a_100000753495_100000187820 [0,3,0,0,0,0|1,0,0]=4 19159 B13R1.164 NC(=O)COc1ccc(cc1N)I 7a_100000753495_100000187820 [0,3,0,0,0,0|1,0,0]=4 19160 B13R1.164 NC(=O)COc1ccc(cc1N)N 34a_100000725306_100000187820 [0,3,0,0,0,0|1,0,0]=4 19161 B13R1.164 Nc1cc(ccc1OCC(=O)[O-])Br 34a_100000752626_100020667443 [0,3,0,0,0,0|1,0,0]=4 19162 B13R1.164 Nc1cc(ccc1OCC(=O)[O-])Cl 34a_100000210500_100020667443 [0,3,0,0,0,0|1,0,0]=4 19163 B13R1.164 Nc1cc(ccc1OCC(=O)[O-])F 34a_100000759472_100020667443 [0,3,0,0,0,0|1,0,0]=4 19164 B13R1.164 Nc1cc(ccc1OCC(=O)[O-])I 34a_100000753495_100020667443 [0,3,0,0,0,0|1,0,0]=4 19165 B13R1.164 Nc1ccc(c(c1)Br)OCC(=O)[O-] 34a_100011534360_100020667443 [0,3,0,0,0,0|1,0,0]=4 19166 B13R1.164 Nc1ccc(c(c1)Cl)OCC(=O)[O-] 34a_100000744943_100020667443 [0,3,0,0,0,0|1,0,0]=4 19167 B13R1.164 Nc1ccc(c(c1)F)OCC(=O)[O-] 34a_100011220035_100020667443 [0,3,0,0,0,0|1,0,0]=4 19168 B13R1.164 Nc1ccc(c(c1)N)OCC(=O)[O-] 34a_100000725306_100020667443 [0,3,0,0,0,0|1,0,0]=4 19169 B13R1.164 O=C([O-])COc1ccc(cc1Br)Br 34a_100000188717_100020667443 [0,3,0,0,0,0|1,0,0]=4 19170 B13R1.164 O=C([O-])COc1ccc(cc1Br)Cl 34a_100000211998_100020667443 [0,3,0,0,0,0|1,0,0]=4 19171 B13R1.164 O=C([O-])COc1ccc(cc1Br)F 34a_100000211999_100020667443 [0,3,0,0,0,0|1,0,0]=4 19172 B13R1.164 O=C([O-])COc1ccc(cc1Br)I 34a_100012361655_100020667443 [0,3,0,0,0,0|1,0,0]=4 19173 B13R1.164 O=C([O-])COc1ccc(cc1Cl)Br 34a_100000186472_100020667443 [0,3,0,0,0,0|1,0,0]=4 19174 B13R1.164 O=C([O-])COc1ccc(cc1Cl)Cl 34a_100015191787_100020667443 [0,3,0,0,0,0|1,0,0]=4 19175 B13R1.164 O=C([O-])COc1ccc(cc1Cl)F 34a_100000212004_100020667443 [0,3,0,0,0,0|1,0,0]=4 19176 B13R1.164 O=C([O-])COc1ccc(cc1Cl)I 34a_100012360047_100020667443 [0,3,0,0,0,0|1,0,0]=4 19177 B13R1.164 O=C([O-])COc1ccc(cc1F)Br 34a_100000185481_100020667443 [0,3,0,0,0,0|1,0,0]=4 19178 B13R1.164 O=C([O-])COc1ccc(cc1F)Cl 34a_100000230166_100020667443 [0,3,0,0,0,0|1,0,0]=4 19179 B13R1.164 O=C([O-])COc1ccc(cc1F)F 34a_100000230127_100020667443 [0,3,0,0,0,0|1,0,0]=4 19180 B13R1.164 O=C([O-])COc1ccc(cc1F)I 34a_100011356965_100020667443 [0,3,0,0,0,0|1,0,0]=4 19181 B13R1.164 O=C([O-])COc1ccc(cc1I)Br 34a_100012355227_100020667443 [0,3,0,0,0,0|1,0,0]=4 19182 B13R1.164 O=C([O-])COc1ccc(cc1I)Cl 34a_100011356953_100020667443 [0,3,0,0,0,0|1,0,0]=4 19183 B13R1.164 O=C([O-])COc1ccc(cc1I)F 34a_100012355409_100020667443 [0,3,0,0,0,0|1,0,0]=4 19184 B13R1.164 [13CH3]C(=O)COc1ccc(cc1Br)Br 1458a_200000181479_200025704644 [0,3,0,0,0,0|0,0,1]=4 19185 B13R1.164 [13CH3]C(=O)COc1ccc(cc1Br)Cl 1458a_100000184090_200025704644 [0,3,0,0,0,0|0,0,1]=4 19186 B13R1.164 [13CH3]C(=O)COc1ccc(cc1Br)F 1458a_100000184067_200025704644 [0,3,0,0,0,0|0,0,1]=4 19187 B13R1.164 [13CH3]C(=O)COc1ccc(cc1Cl)Br 1458a_100000185252_200025704644 [0,3,0,0,0,0|0,0,1]=4 19188 B13R1.164 [13CH3]C(=O)COc1ccc(cc1Cl)Cl 1458a_100102647096_200025704644 [0,3,0,0,0,0|0,0,1]=4 19189 B13R1.164 [13CH3]C(=O)COc1ccc(cc1Cl)F 1458a_100000191239_200025704644 [0,3,0,0,0,0|0,0,1]=4 19190 B13R1.164 [13CH3]C(=O)COc1ccc(cc1F)Br 1458a_100000184069_200025704644 [0,3,0,0,0,0|0,0,1]=4 19191 B13R1.164 [13CH3]C(=O)COc1ccc(cc1F)Cl 1458a_100012771990_200025704644 [0,3,0,0,0,0|0,0,1]=4 19192 B13R1.164 [13CH3]C(=O)COc1ccc(cc1F)F 1458a_100000737261_200025704644 [0,3,0,0,0,0|0,0,1]=4 19193 B13R1.164 [13CH3]C(=O)COc1ccc(cc1O)Cl 1458a_100010174420_200025704644 [0,3,0,0,0,0|0,0,1]=4 19194 B13R1.511 C=C(C)CNc1ccc(c(c1)Br)Br 2230a_100011306057_100000748629 [0,3,0,0,0,0|1,0,0]=4 19195 B13R1.511 C=C(C)CNc1ccc(c(c1)Br)Br 34a_100011306057_100000748629 [0,3,0,0,0,0|1,0,0]=4 19196 B13R1.511 C=C(C)CNc1ccc(c(c1)Br)Br 7a_100011306057_100000748629 [0,3,0,0,0,0|1,0,0]=4 19197 B13R1.511 C=C(C)CNc1ccc(c(c1)Br)C 2230a_100000736455_100000748629 [0,3,0,0,0,0|1,0,0]=4 19198 B13R1.511 C=C(C)CNc1ccc(c(c1)Br)C 34a_100000736455_100000748629 [0,3,0,0,0,0|1,0,0]=4 19199 B13R1.511 C=C(C)CNc1ccc(c(c1)Br)C 7a_100000736455_100000748629 [0,3,0,0,0,0|1,0,0]=4 19200 B13R1.511 C=C(C)CNc1ccc(c(c1)Br)Cl 2230a_100000686031_100000748629 [0,3,0,0,0,0|1,0,0]=4 19201 B13R1.511 C=C(C)CNc1ccc(c(c1)Br)Cl 34a_100000686031_100000748629 [0,3,0,0,0,0|1,0,0]=4 19202 B13R1.511 C=C(C)CNc1ccc(c(c1)Br)F 2230a_100000760356_100000748629 [0,3,0,0,0,0|1,0,0]=4 19203 B13R1.511 C=C(C)CNc1ccc(c(c1)Br)F 34a_100000760356_100000748629 [0,3,0,0,0,0|1,0,0]=4 19204 B13R1.511 C=C(C)CNc1ccc(c(c1)Br)F 7a_100000760356_100000748629 [0,3,0,0,0,0|1,0,0]=4 19205 B13R1.511 C=C(C)CNc1ccc(c(c1)Br)I 34a_100000750458_100000748629 [0,3,0,0,0,0|1,0,0]=4 19206 B13R1.511 C=C(C)CNc1ccc(c(c1)Br)O 34a_100011534360_100000748629 [0,3,0,0,0,0|1,0,0]=4 19207 B13R1.511 C=C(C)CNc1ccc(c(c1)C)Br 2230a_100000210723_100000748629 [0,3,0,0,0,0|1,0,0]=4 19208 B13R1.511 C=C(C)CNc1ccc(c(c1)C)Br 34a_100000210723_100000748629 [0,3,0,0,0,0|1,0,0]=4 19209 B13R1.511 C=C(C)CNc1ccc(c(c1)C)Br 7a_100000210723_100000748629 [0,3,0,0,0,0|1,0,0]=4 19210 B13R1.511 C=C(C)CNc1ccc(c(c1)C)C 2230a_100000724040_100000748629 [0,3,0,0,0,0|1,0,0]=4 19211 B13R1.511 C=C(C)CNc1ccc(c(c1)C)C 34a_100000724040_100000748629 [0,3,0,0,0,0|1,0,0]=4 19212 B13R1.511 C=C(C)CNc1ccc(c(c1)C)C 7a_100000724040_100000748629 [0,3,0,0,0,0|1,0,0]=4 19213 B13R1.511 C=C(C)CNc1ccc(c(c1)C)Cl 2230a_100000187808_100000748629 [0,3,0,0,0,0|1,0,0]=4 19214 B13R1.511 C=C(C)CNc1ccc(c(c1)C)Cl 34a_100000187808_100000748629 [0,3,0,0,0,0|1,0,0]=4 19215 B13R1.511 C=C(C)CNc1ccc(c(c1)C)Cl 7a_100000187808_100000748629 [0,3,0,0,0,0|1,0,0]=4 19216 B13R1.511 C=C(C)CNc1ccc(c(c1)C)F 2230a_100000750164_100000748629 [0,3,0,0,0,0|1,0,0]=4 19217 B13R1.511 C=C(C)CNc1ccc(c(c1)C)F 34a_100000750164_100000748629 [0,3,0,0,0,0|1,0,0]=4 19218 B13R1.511 C=C(C)CNc1ccc(c(c1)C)F 7a_100000750164_100000748629 [0,3,0,0,0,0|1,0,0]=4 19219 B13R1.511 C=C(C)CNc1ccc(c(c1)C)I 34a_100000198070_100000748629 [0,3,0,0,0,0|1,0,0]=4 19220 B13R1.511 C=C(C)CNc1ccc(c(c1)C)I 7a_100000198070_100000748629 [0,3,0,0,0,0|1,0,0]=4 19221 B13R1.511 C=C(C)CNc1ccc(c(c1)C)O 34a_100011218179_100000748629 [0,3,0,0,0,0|1,0,0]=4 19222 B13R1.511 C=C(C)CNc1ccc(c(c1)C)O 7a_100011218179_100000748629 [0,3,0,0,0,0|1,0,0]=4 19223 B13R1.511 C=C(C)CNc1ccc(c(c1)Cl)Br 2230a_100000687081_100000748629 [0,3,0,0,0,0|1,0,0]=4 19224 B13R1.511 C=C(C)CNc1ccc(c(c1)Cl)Br 34a_100000687081_100000748629 [0,3,0,0,0,0|1,0,0]=4 19225 B13R1.511 C=C(C)CNc1ccc(c(c1)Cl)Br 7a_100000687081_100000748629 [0,3,0,0,0,0|1,0,0]=4 19226 B13R1.511 C=C(C)CNc1ccc(c(c1)Cl)C 2230a_100000188892_100000748629 [0,3,0,0,0,0|1,0,0]=4 19227 B13R1.511 C=C(C)CNc1ccc(c(c1)Cl)C 34a_100000188892_100000748629 [0,3,0,0,0,0|1,0,0]=4 19228 B13R1.511 C=C(C)CNc1ccc(c(c1)Cl)C 7a_100000188892_100000748629 [0,3,0,0,0,0|1,0,0]=4 19229 B13R1.511 C=C(C)CNc1ccc(c(c1)Cl)Cl 2230a_100000184108_100000748629 [0,3,0,0,0,0|1,0,0]=4 19230 B13R1.511 C=C(C)CNc1ccc(c(c1)Cl)Cl 34a_100000184108_100000748629 [0,3,0,0,0,0|1,0,0]=4 19231 B13R1.511 C=C(C)CNc1ccc(c(c1)Cl)F 2230a_100000211060_100000748629 [0,3,0,0,0,0|1,0,0]=4 19232 B13R1.511 C=C(C)CNc1ccc(c(c1)Cl)F 34a_100000211060_100000748629 [0,3,0,0,0,0|1,0,0]=4 19233 B13R1.511 C=C(C)CNc1ccc(c(c1)Cl)F 7a_100000211060_100000748629 [0,3,0,0,0,0|1,0,0]=4 19234 B13R1.511 C=C(C)CNc1ccc(c(c1)Cl)I 34a_100000761885_100000748629 [0,3,0,0,0,0|1,0,0]=4 19235 B13R1.511 C=C(C)CNc1ccc(c(c1)Cl)O 34a_100000744943_100000748629 [0,3,0,0,0,0|1,0,0]=4 19236 B13R1.511 C=C(C)CNc1ccc(c(c1)F)Br 2230a_100000759894_100000748629 [0,3,0,0,0,0|1,0,0]=4 19237 B13R1.511 C=C(C)CNc1ccc(c(c1)F)Br 34a_100000759894_100000748629 [0,3,0,0,0,0|1,0,0]=4 19238 B13R1.511 C=C(C)CNc1ccc(c(c1)F)Br 7a_100000759894_100000748629 [0,3,0,0,0,0|1,0,0]=4 19239 B13R1.511 C=C(C)CNc1ccc(c(c1)F)C 2230a_100000210958_100000748629 [0,3,0,0,0,0|1,0,0]=4 19240 B13R1.511 C=C(C)CNc1ccc(c(c1)F)C 34a_100000210958_100000748629 [0,3,0,0,0,0|1,0,0]=4 19241 B13R1.511 C=C(C)CNc1ccc(c(c1)F)C 7a_100000210958_100000748629 [0,3,0,0,0,0|1,0,0]=4 19242 B13R1.511 C=C(C)CNc1ccc(c(c1)F)Cl 2230a_100000739366_100000748629 [0,3,0,0,0,0|1,0,0]=4 19243 B13R1.511 C=C(C)CNc1ccc(c(c1)F)Cl 34a_100000739366_100000748629 [0,3,0,0,0,0|1,0,0]=4 19244 B13R1.511 C=C(C)CNc1ccc(c(c1)F)Cl 7a_100000739366_100000748629 [0,3,0,0,0,0|1,0,0]=4 19245 B13R1.511 C=C(C)CNc1ccc(c(c1)F)F 2230a_100000210724_100000748629 [0,3,0,0,0,0|1,0,0]=4 19246 B13R1.511 C=C(C)CNc1ccc(c(c1)F)F 34a_100000210724_100000748629 [0,3,0,0,0,0|1,0,0]=4 19247 B13R1.511 C=C(C)CNc1ccc(c(c1)F)F 7a_100000210724_100000748629 [0,3,0,0,0,0|1,0,0]=4 19248 B13R1.511 C=C(C)CNc1ccc(c(c1)F)I 34a_100011356925_100000748629 [0,3,0,0,0,0|1,0,0]=4 19249 B13R1.511 C=C(C)CNc1ccc(c(c1)F)I 7a_100011356925_100000748629 [0,3,0,0,0,0|1,0,0]=4 19250 B13R1.511 C=C(C)CNc1ccc(c(c1)F)O 34a_100011220035_100000748629 [0,3,0,0,0,0|1,0,0]=4 19251 B13R1.511 C=C(C)CNc1ccc(c(c1)F)O 7a_100011220035_100000748629 [0,3,0,0,0,0|1,0,0]=4 19252 B13R1.511 C=C(C)CNc1ccc(c(c1)I)Br 34a_100000750459_100000748629 [0,3,0,0,0,0|1,0,0]=4 19253 B13R1.511 C=C(C)CNc1ccc(c(c1)I)C 34a_100000184131_100000748629 [0,3,0,0,0,0|1,0,0]=4 19254 B13R1.511 C=C(C)CNc1ccc(c(c1)I)C 7a_100000184131_100000748629 [0,3,0,0,0,0|1,0,0]=4 19255 B13R1.511 C=C(C)CNc1ccc(c(c1)I)Cl 34a_100012360549_100000748629 [0,3,0,0,0,0|1,0,0]=4 19256 B13R1.511 C=C(C)CNc1ccc(c(c1)I)F 34a_114828291077_100000748629 [0,3,0,0,0,0|1,0,0]=4 19257 B13R1.511 C=C(C)CNc1ccc(c(c1)I)F 7a_114828291077_100000748629 [0,3,0,0,0,0|1,0,0]=4 19258 B13R1.511 C=C(C)CNc1ccc(c(c1)O)C 34a_100000759471_100000748629 [0,3,0,0,0,0|1,0,0]=4 19259 B13R1.511 C=C(C)CNc1ccc(c(c1)O)C 7a_100000759471_100000748629 [0,3,0,0,0,0|1,0,0]=4 19260 B13R1.511 C=C(C)CNc1ccc(c(c1)O)Cl 34a_100011934209_100000748629 [0,3,0,0,0,0|1,0,0]=4 19261 B13R1.511 C=C(C)CNc1ccc(c(c1)O)F 34a_100012017398_100000748629 [0,3,0,0,0,0|1,0,0]=4 19262 B13R1.511 C=C(C)CNc1ccc(c(c1)O)F 7a_100012017398_100000748629 [0,3,0,0,0,0|1,0,0]=4 19263 B13R1.511 C=C(C)CNc1ccc(c(c1)O)O 34a_100102946323_100000748629 [0,3,0,0,0,0|1,0,0]=4 19264 B13R1.511 C=C(C)COc1cc(c(cn1)Br)C 34a_100000766222_100000748629 [0,3,0,0,0,0|1,0,0]=4 19265 B13R1.511 C=C(C)COc1cc(c(cn1)Br)Cl 34a_100010369989_100000748629 [0,3,0,0,0,0|1,0,0]=4 19266 B13R1.511 C=C(C)COc1cc(c(cn1)C)Br 34a_100009831917_100000748629 [0,3,0,0,0,0|1,0,0]=4 19267 B13R1.511 C=C(C)COc1cc(c(cn1)Cl)C 34a_200000085746_100000748629 [0,3,0,0,0,0|1,0,0]=4 19268 B13R1.511 C=C(C)COc1cc(c(cn1)Cl)Cl 34a_200000099200_100000748629 [0,3,0,0,0,0|1,0,0]=4 19269 B13R1.511 C=C(C)COc1ccc(c(c1)Br)C 34a_100011380479_100000748629 [0,3,0,0,0,0|0,0,0]=3 19270 B13R1.511 C=C(C)COc1ccc(c(c1)Br)C 7a_100011380479_100000748629 [0,3,0,0,0,0|0,0,0]=3 19271 B13R1.511 C=C(C)COc1ccc(c(c1)Br)Cl 34a_100011933957_100000748629 [0,3,0,0,0,0|0,0,0]=3 19272 B13R1.511 C=C(C)COc1ccc(c(c1)Br)Cl 7a_100011933957_100000748629 [0,3,0,0,0,0|0,0,0]=3 19273 B13R1.511 C=C(C)COc1ccc(c(c1)Br)F 34a_100000693481_100000748629 [0,3,0,0,0,0|0,0,0]=3 19274 B13R1.511 C=C(C)COc1ccc(c(c1)Br)F 7a_100000693481_100000748629 [0,3,0,0,0,0|0,0,0]=3 19275 B13R1.511 C=C(C)COc1ccc(c(c1)Br)I 34a_100000701344_100000748629 [0,3,0,0,0,0|0,0,0]=3 19276 B13R1.511 C=C(C)COc1ccc(c(c1)Br)I 7a_100000701344_100000748629 [0,3,0,0,0,0|0,0,0]=3 19277 B13R1.511 C=C(C)COc1ccc(c(c1)Br)N 34a_100012001276_100000748629 [0,3,0,0,0,0|0,0,0]=3 19278 B13R1.511 C=C(C)COc1ccc(c(c1)Br)N 7a_100012001276_100000748629 [0,3,0,0,0,0|0,0,0]=3 19279 B13R1.511 C=C(C)COc1ccc(c(c1)C)Br 34a_100000690111_100000748629 [0,3,0,0,0,0|0,0,0]=3 19280 B13R1.511 C=C(C)COc1ccc(c(c1)C)Br 7a_100000690111_100000748629 [0,3,0,0,0,0|0,0,0]=3 19281 B13R1.511 C=C(C)COc1ccc(c(c1)C)C 34a_100000210932_100000748629 [0,3,0,0,0,0|0,0,0]=3 19282 B13R1.511 C=C(C)COc1ccc(c(c1)C)C 7a_100000210932_100000748629 [0,3,0,0,0,0|0,0,0]=3 19283 B13R1.511 C=C(C)COc1ccc(c(c1)C)Cl 34a_100000211092_100000748629 [0,3,0,0,0,0|0,0,0]=3 19284 B13R1.511 C=C(C)COc1ccc(c(c1)C)Cl 7a_100000211092_100000748629 [0,3,0,0,0,0|0,0,0]=3 19285 B13R1.511 C=C(C)COc1ccc(c(c1)C)F 34a_100000751312_100000748629 [0,3,0,0,0,0|0,0,0]=3 19286 B13R1.511 C=C(C)COc1ccc(c(c1)C)F 7a_100000751312_100000748629 [0,3,0,0,0,0|0,0,0]=3 19287 B13R1.511 C=C(C)COc1ccc(c(c1)C)I 34a_100000729255_100000748629 [0,3,0,0,0,0|0,0,0]=3 19288 B13R1.511 C=C(C)COc1ccc(c(c1)C)I 7a_100000729255_100000748629 [0,3,0,0,0,0|0,0,0]=3 19289 B13R1.511 C=C(C)COc1ccc(c(c1)C)N 34a_100000756630_100000748629 [0,3,0,0,0,0|0,0,0]=3 19290 B13R1.511 C=C(C)COc1ccc(c(c1)C)N 7a_100000756630_100000748629 [0,3,0,0,0,0|0,0,0]=3 19291 B13R1.511 C=C(C)COc1ccc(c(c1)Cl)Br 34a_100011215161_100000748629 [0,3,0,0,0,0|0,0,0]=3 19292 B13R1.511 C=C(C)COc1ccc(c(c1)Cl)Br 7a_100011215161_100000748629 [0,3,0,0,0,0|0,0,0]=3 19293 B13R1.511 C=C(C)COc1ccc(c(c1)Cl)C 34a_100011265682_100000748629 [0,3,0,0,0,0|0,0,0]=3 19294 B13R1.511 C=C(C)COc1ccc(c(c1)Cl)C 7a_100011265682_100000748629 [0,3,0,0,0,0|0,0,0]=3 19295 B13R1.511 C=C(C)COc1ccc(c(c1)Cl)Cl 34a_100000211054_100000748629 [0,3,0,0,0,0|0,0,0]=3 19296 B13R1.511 C=C(C)COc1ccc(c(c1)Cl)Cl 7a_100000211054_100000748629 [0,3,0,0,0,0|0,0,0]=3 19297 B13R1.511 C=C(C)COc1ccc(c(c1)Cl)F 34a_100000211030_100000748629 [0,3,0,0,0,0|0,0,0]=3 19298 B13R1.511 C=C(C)COc1ccc(c(c1)Cl)F 7a_100000211030_100000748629 [0,3,0,0,0,0|0,0,0]=3 19299 B13R1.511 C=C(C)COc1ccc(c(c1)Cl)I 34a_100000047559_100000748629 [0,3,0,0,0,0|0,0,0]=3 19300 B13R1.511 C=C(C)COc1ccc(c(c1)Cl)I 7a_100000047559_100000748629 [0,3,0,0,0,0|0,0,0]=3 19301 B13R1.511 C=C(C)COc1ccc(c(c1)Cl)N 34a_100011215599_100000748629 [0,3,0,0,0,0|0,0,0]=3 19302 B13R1.511 C=C(C)COc1ccc(c(c1)Cl)N 7a_100011215599_100000748629 [0,3,0,0,0,0|0,0,0]=3 19303 B13R1.511 C=C(C)COc1ccc(c(c1)F)Br 34a_100000755031_100000748629 [0,3,0,0,0,0|0,0,0]=3 19304 B13R1.511 C=C(C)COc1ccc(c(c1)F)Br 7a_100000755031_100000748629 [0,3,0,0,0,0|0,0,0]=3 19305 B13R1.511 C=C(C)COc1ccc(c(c1)F)C 34a_100000722560_100000748629 [0,3,0,0,0,0|0,0,0]=3 19306 B13R1.511 C=C(C)COc1ccc(c(c1)F)C 7a_100000722560_100000748629 [0,3,0,0,0,0|0,0,0]=3 19307 B13R1.511 C=C(C)COc1ccc(c(c1)F)Cl 34a_100000691581_100000748629 [0,3,0,0,0,0|0,0,0]=3 19308 B13R1.511 C=C(C)COc1ccc(c(c1)F)Cl 7a_100000691581_100000748629 [0,3,0,0,0,0|0,0,0]=3 19309 B13R1.511 C=C(C)COc1ccc(c(c1)F)F 34a_100000181275_100000748629 [0,3,0,0,0,0|0,0,0]=3 19310 B13R1.511 C=C(C)COc1ccc(c(c1)F)F 7a_100000181275_100000748629 [0,3,0,0,0,0|0,0,0]=3 19311 B13R1.511 C=C(C)COc1ccc(c(c1)F)I 34a_100009990212_100000748629 [0,3,0,0,0,0|0,0,0]=3 19312 B13R1.511 C=C(C)COc1ccc(c(c1)F)I 7a_100009990212_100000748629 [0,3,0,0,0,0|0,0,0]=3 19313 B13R1.511 C=C(C)COc1ccc(c(c1)F)N 34a_100000759473_100000748629 [0,3,0,0,0,0|0,0,0]=3 19314 B13R1.511 C=C(C)COc1ccc(c(c1)F)N 7a_100000759473_100000748629 [0,3,0,0,0,0|0,0,0]=3 19315 B13R1.511 C=C(C)COc1ccc(c(c1)I)Br 34a_100012339312_100000748629 [0,3,0,0,0,0|0,0,0]=3 19316 B13R1.511 C=C(C)COc1ccc(c(c1)I)Br 7a_100012339312_100000748629 [0,3,0,0,0,0|0,0,0]=3 19317 B13R1.511 C=C(C)COc1ccc(c(c1)I)Cl 34a_100000049588_100000748629 [0,3,0,0,0,0|0,0,0]=3 19318 B13R1.511 C=C(C)COc1ccc(c(c1)I)Cl 7a_100000049588_100000748629 [0,3,0,0,0,0|0,0,0]=3 19319 B13R1.511 C=C(C)COc1ccc(c(c1)I)N 34a_100010084370_100000748629 [0,3,0,0,0,0|0,0,0]=3 19320 B13R1.511 C=C(C)COc1ccc(c(c1)I)N 7a_100010084370_100000748629 [0,3,0,0,0,0|0,0,0]=3 19321 B13R1.511 C=C(C)COc1ccc(c(c1)N)Br 34a_100011999798_100000748629 [0,3,0,0,0,0|0,0,0]=3 19322 B13R1.511 C=C(C)COc1ccc(c(c1)N)Br 7a_100011999798_100000748629 [0,3,0,0,0,0|0,0,0]=3 19323 B13R1.511 C=C(C)COc1ccc(c(c1)N)C 34a_100011216113_100000748629 [0,3,0,0,0,0|0,0,0]=3 19324 B13R1.511 C=C(C)COc1ccc(c(c1)N)C 7a_100011216113_100000748629 [0,3,0,0,0,0|0,0,0]=3 19325 B13R1.511 C=C(C)COc1ccc(c(c1)N)Cl 34a_100011934297_100000748629 [0,3,0,0,0,0|0,0,0]=3 19326 B13R1.511 C=C(C)COc1ccc(c(c1)N)F 34a_100012017239_100000748629 [0,3,0,0,0,0|0,0,0]=3 19327 B13R1.511 C=C(C)COc1ccc(c(c1)N)F 7a_100012017239_100000748629 [0,3,0,0,0,0|0,0,0]=3 19328 B13R1.511 C=C(C)COc1ccc(c(c1)N)N 34a_100025771000_100000748629 [0,3,0,0,0,0|0,0,0]=3 19329 B13R1.511 C=C(C)COc1ccc(c(n1)C)Br 34a_100000691680_100000748629 [0,3,0,0,0,0|1,0,0]=4 19330 B13R1.511 C=C(C)COc1ccc(c(n1)C)Cl 34a_200009863735_100000748629 [0,3,0,0,0,0|1,0,0]=4 19331 B13R1.511 C=C(C)COc1ccc(c(n1)F)Br 34a_100009879308_100000748629 [0,3,0,0,0,0|1,0,0]=4 19332 B13R1.511 C=C(C)COc1cnc(c(c1)Br)C 34a_100009819603_100000748629 [0,3,0,0,0,0|1,0,0]=4 19333 B13R1.511 C=C(C)COc1cnc(c(c1)Br)C 7a_100009819603_100000748629 [0,3,0,0,0,0|1,0,0]=4 19334 B13R1.511 C=C(C)COc1cnc(c(c1)Br)Cl 34a_100012356455_100000748629 [0,3,0,0,0,0|1,0,0]=4 19335 B13R1.511 C=C(C)COc1cnc(c(c1)Br)Cl 7a_100012356455_100000748629 [0,3,0,0,0,0|1,0,0]=4 19336 B13R1.511 C=C(C)COc1cnc(c(c1)Br)F 34a_100009817267_100000748629 [0,3,0,0,0,0|1,0,0]=4 19337 B13R1.511 C=C(C)COc1cnc(c(c1)Br)F 7a_100009817267_100000748629 [0,3,0,0,0,0|1,0,0]=4 19338 B13R1.511 C=C(C)COc1cnc(c(c1)C)Br 34a_100012000486_100000748629 [0,3,0,0,0,0|1,0,0]=4 19339 B13R1.511 C=C(C)COc1cnc(c(c1)C)Br 7a_100012000486_100000748629 [0,3,0,0,0,0|1,0,0]=4 19340 B13R1.511 C=C(C)COc1cnc(c(c1)C)C 34a_100009854398_100000748629 [0,3,0,0,0,0|1,0,0]=4 19341 B13R1.511 C=C(C)COc1cnc(c(c1)C)C 7a_100009854398_100000748629 [0,3,0,0,0,0|1,0,0]=4 19342 B13R1.511 C=C(C)COc1cnc(c(c1)C)Cl 34a_100012002680_100000748629 [0,3,0,0,0,0|1,0,0]=4 19343 B13R1.511 C=C(C)COc1cnc(c(c1)C)Cl 7a_100012002680_100000748629 [0,3,0,0,0,0|1,0,0]=4 19344 B13R1.511 C=C(C)COc1cnc(c(c1)C)F 34a_100000094615_100000748629 [0,3,0,0,0,0|1,0,0]=4 19345 B13R1.511 C=C(C)COc1cnc(c(c1)C)F 7a_100000094615_100000748629 [0,3,0,0,0,0|1,0,0]=4 19346 B13R1.511 C=C(C)COc1cnc(c(c1)Cl)Br 34a_100010209684_100000748629 [0,3,0,0,0,0|1,0,0]=4 19347 B13R1.511 C=C(C)COc1cnc(c(c1)Cl)Br 7a_100010209684_100000748629 [0,3,0,0,0,0|1,0,0]=4 19348 B13R1.511 C=C(C)COc1cnc(c(c1)Cl)Cl 34a_100000094354_100000748629 [0,3,0,0,0,0|1,0,0]=4 19349 B13R1.511 C=C(C)COc1cnc(c(c1)Cl)Cl 7a_100000094354_100000748629 [0,3,0,0,0,0|1,0,0]=4 19350 B13R1.511 C=C(C)COc1cnc(c(c1)Cl)F 34a_100000087088_100000748629 [0,3,0,0,0,0|1,0,0]=4 19351 B13R1.511 C=C(C)COc1cnc(c(c1)Cl)F 7a_100000087088_100000748629 [0,3,0,0,0,0|1,0,0]=4 19352 B13R1.511 C=C(C)COc1cnc(c(c1)F)Cl 34a_100000063512_100000748629 [0,3,0,0,0,0|1,0,0]=4 19353 B13R1.511 C=C(C)COc1cnc(c(c1)F)Cl 7a_100000063512_100000748629 [0,3,0,0,0,0|1,0,0]=4 19354 B13R1.511 C=C(C)CSc1ccc(c(c1)Br)Br 62a_100000748629_100012356285 [0,3,0,0,0,0|0,1,0]=4 19355 B13R1.511 C=C(C)CSc1ccc(c(c1)Br)Br 62a_100012356285_100000211660 [0,3,0,0,0,0|0,1,0]=4 19356 B13R1.511 C=C(C)CSc1ccc(c(c1)Br)C 62a_100000748629_100011847877 [0,3,0,0,0,0|0,1,0]=4 19357 B13R1.511 C=C(C)CSc1ccc(c(c1)Br)C 62a_100011847877_100000211660 [0,3,0,0,0,0|0,1,0]=4 19358 B13R1.511 C=C(C)CSc1ccc(c(c1)Br)Cl 62a_100000748629_100012353702 [0,3,0,0,0,0|0,1,0]=4 19359 B13R1.511 C=C(C)CSc1ccc(c(c1)Br)Cl 62a_100012353702_100000211660 [0,3,0,0,0,0|0,1,0]=4 19360 B13R1.511 C=C(C)CSc1ccc(c(c1)Br)F 62a_100000748629_100012047266 [0,3,0,0,0,0|0,1,0]=4 19361 B13R1.511 C=C(C)CSc1ccc(c(c1)Br)F 62a_100012047266_100000211660 [0,3,0,0,0,0|0,1,0]=4 19362 B13R1.511 C=C(C)CSc1ccc(c(c1)Br)N 62a_100000748629_100000750455 [0,3,0,0,0,0|0,1,0]=4 19363 B13R1.511 C=C(C)CSc1ccc(c(c1)Br)N 62a_100000750455_100000211660 [0,3,0,0,0,0|0,1,0]=4 19364 B13R1.511 C=C(C)CSc1ccc(c(c1)Br)O 62a_100000748629_100012361655 [0,3,0,0,0,0|0,1,0]=4 19365 B13R1.511 C=C(C)CSc1ccc(c(c1)Br)O 62a_100012361655_100000211660 [0,3,0,0,0,0|0,1,0]=4 19366 B13R1.511 C=C(C)CSc1ccc(c(c1)C)Br 62a_100000748629_100009813585 [0,3,0,0,0,0|0,1,0]=4 19367 B13R1.511 C=C(C)CSc1ccc(c(c1)C)Br 62a_100009813585_100000211660 [0,3,0,0,0,0|0,1,0]=4 19368 B13R1.511 C=C(C)CSc1ccc(c(c1)C)C 62a_100000748629_100011215607 [0,3,0,0,0,0|0,1,0]=4 19369 B13R1.511 C=C(C)CSc1ccc(c(c1)C)C 62a_100011215607_100000211660 [0,3,0,0,0,0|0,1,0]=4 19370 B13R1.511 C=C(C)CSc1ccc(c(c1)C)Cl 62a_100000049509_100000211660 [0,3,0,0,0,0|0,1,0]=4 19371 B13R1.511 C=C(C)CSc1ccc(c(c1)C)Cl 62a_100000748629_100000049509 [0,3,0,0,0,0|0,1,0]=4 19372 B13R1.511 C=C(C)CSc1ccc(c(c1)C)F 62a_100000748629_100011218330 [0,3,0,0,0,0|0,1,0]=4 19373 B13R1.511 C=C(C)CSc1ccc(c(c1)C)F 62a_100011218330_100000211660 [0,3,0,0,0,0|0,1,0]=4 19374 B13R1.511 C=C(C)CSc1ccc(c(c1)C)N 62a_100000211769_100000211660 [0,3,0,0,0,0|0,1,0]=4 19375 B13R1.511 C=C(C)CSc1ccc(c(c1)C)N 62a_100000748629_100000211769 [0,3,0,0,0,0|0,1,0]=4 19376 B13R1.511 C=C(C)CSc1ccc(c(c1)C)O 62a_100000748629_100000186361 [0,3,0,0,0,0|0,1,0]=4 19377 B13R1.511 C=C(C)CSc1ccc(c(c1)Cl)Br 62a_100000748629_100012047281 [0,3,0,0,0,0|0,1,0]=4 19378 B13R1.511 C=C(C)CSc1ccc(c(c1)Cl)Br 62a_100012047281_100000211660 [0,3,0,0,0,0|0,1,0]=4 19379 B13R1.511 C=C(C)CSc1ccc(c(c1)Cl)C 62a_100000748629_100011216363 [0,3,0,0,0,0|0,1,0]=4 19380 B13R1.511 C=C(C)CSc1ccc(c(c1)Cl)C 62a_100011216363_100000211660 [0,3,0,0,0,0|0,1,0]=4 19381 B13R1.511 C=C(C)CSc1ccc(c(c1)Cl)Cl 62a_100000748629_100011214914 [0,3,0,0,0,0|0,1,0]=4 19382 B13R1.511 C=C(C)CSc1ccc(c(c1)Cl)Cl 62a_100011214914_100000211660 [0,3,0,0,0,0|0,1,0]=4 19383 B13R1.511 C=C(C)CSc1ccc(c(c1)Cl)F 62a_100000748629_100011215976 [0,3,0,0,0,0|0,1,0]=4 19384 B13R1.511 C=C(C)CSc1ccc(c(c1)Cl)F 62a_100011215976_100000211660 [0,3,0,0,0,0|0,1,0]=4 19385 B13R1.511 C=C(C)CSc1ccc(c(c1)Cl)N 62a_100000748629_100011218065 [0,3,0,0,0,0|0,1,0]=4 19386 B13R1.511 C=C(C)CSc1ccc(c(c1)Cl)N 62a_100011218065_100000211660 [0,3,0,0,0,0|0,1,0]=4 19387 B13R1.511 C=C(C)CSc1ccc(c(c1)Cl)O 62a_100000748629_100012360047 [0,3,0,0,0,0|0,1,0]=4 19388 B13R1.511 C=C(C)CSc1ccc(c(c1)Cl)O 62a_100012360047_100000211660 [0,3,0,0,0,0|0,1,0]=4 19389 B13R1.511 C=C(C)CSc1ccc(c(c1)F)Br 62a_100000685389_100000211660 [0,3,0,0,0,0|0,1,0]=4 19390 B13R1.511 C=C(C)CSc1ccc(c(c1)F)Br 62a_100000748629_100000685389 [0,3,0,0,0,0|0,1,0]=4 19391 B13R1.511 C=C(C)CSc1ccc(c(c1)F)C 62a_100000720648_100000211660 [0,3,0,0,0,0|0,1,0]=4 19392 B13R1.511 C=C(C)CSc1ccc(c(c1)F)C 62a_100000748629_100000720648 [0,3,0,0,0,0|0,1,0]=4 19393 B13R1.511 C=C(C)CSc1ccc(c(c1)F)Cl 62a_100000748629_100011216805 [0,3,0,0,0,0|0,1,0]=4 19394 B13R1.511 C=C(C)CSc1ccc(c(c1)F)Cl 62a_100011216805_100000211660 [0,3,0,0,0,0|0,1,0]=4 19395 B13R1.511 C=C(C)CSc1ccc(c(c1)F)F 62a_100000703953_100000211660 [0,3,0,0,0,0|0,1,0]=4 19396 B13R1.511 C=C(C)CSc1ccc(c(c1)F)F 62a_100000748629_100000703953 [0,3,0,0,0,0|0,1,0]=4 19397 B13R1.511 C=C(C)CSc1ccc(c(c1)F)N 62a_100000748629_100011215594 [0,3,0,0,0,0|0,1,0]=4 19398 B13R1.511 C=C(C)CSc1ccc(c(c1)F)N 62a_100011215594_100000211660 [0,3,0,0,0,0|0,1,0]=4 19399 B13R1.511 C=C(C)CSc1ccc(c(c1)F)O 62a_100000185481_100000211660 [0,3,0,0,0,0|0,1,0]=4 19400 B13R1.511 C=C(C)CSc1ccc(c(c1)F)O 62a_100000748629_100000185481 [0,3,0,0,0,0|0,1,0]=4 19401 B13R1.511 C=C(C)CSc1ccc(c(c1)N)Br 62a_100000748629_100000750456 [0,3,0,0,0,0|0,1,0]=4 19402 B13R1.511 C=C(C)CSc1ccc(c(c1)N)Br 62a_100000750456_100000211660 [0,3,0,0,0,0|0,1,0]=4 19403 B13R1.511 C=C(C)CSc1ccc(c(c1)N)C 62a_100000748629_100000761890 [0,3,0,0,0,0|0,1,0]=4 19404 B13R1.511 C=C(C)CSc1ccc(c(c1)N)C 62a_100000761890_100000211660 [0,3,0,0,0,0|0,1,0]=4 19405 B13R1.511 C=C(C)CSc1ccc(c(c1)N)Cl 62a_100000748629_200000761891 [0,3,0,0,0,0|0,1,0]=4 19406 B13R1.511 C=C(C)CSc1ccc(c(c1)N)Cl 62a_200000761891_100000211660 [0,3,0,0,0,0|0,1,0]=4 19407 B13R1.511 C=C(C)CSc1ccc(c(c1)N)F 62a_100000740924_100000211660 [0,3,0,0,0,0|0,1,0]=4 19408 B13R1.511 C=C(C)CSc1ccc(c(c1)N)F 62a_100000748629_100000740924 [0,3,0,0,0,0|0,1,0]=4 19409 B13R1.511 C=C(C)CSc1ccc(c(c1)N)N 62a_100000741789_100000211660 [0,3,0,0,0,0|0,1,0]=4 19410 B13R1.511 C=C(C)CSc1ccc(c(c1)N)N 62a_100000748629_100011534411 [0,3,0,0,0,0|0,1,0]=4 19411 B13R1.511 C=C(C)CSc1ccc(c(c1)N)O 62a_100000748629_100000752626 [0,3,0,0,0,0|0,1,0]=4 19412 B13R1.511 C=C(C)CSc1ccc(c(c1)N)O 62a_100000752626_100000211660 [0,3,0,0,0,0|0,1,0]=4 19413 B13R1.511 C=C(C)CSc1ccc(c(c1)O)Br 62a_100000748629_100012356990 [0,3,0,0,0,0|0,1,0]=4 19414 B13R1.511 C=C(C)CSc1ccc(c(c1)O)Br 62a_100012356990_100000211660 [0,3,0,0,0,0|0,1,0]=4 19415 B13R1.511 C=C(C)CSc1ccc(c(c1)O)C 62a_100000685420_100000211660 [0,3,0,0,0,0|0,1,0]=4 19416 B13R1.511 C=C(C)CSc1ccc(c(c1)O)C 62a_100000748629_100000685420 [0,3,0,0,0,0|0,1,0]=4 19417 B13R1.511 C=C(C)CSc1ccc(c(c1)O)Cl 62a_100000748629_100011356854 [0,3,0,0,0,0|0,1,0]=4 19418 B13R1.511 C=C(C)CSc1ccc(c(c1)O)Cl 62a_100011356854_100000211660 [0,3,0,0,0,0|0,1,0]=4 19419 B13R1.511 C=C(C)CSc1ccc(c(c1)O)F 62a_100000686035_100000211660 [0,3,0,0,0,0|0,1,0]=4 19420 B13R1.511 C=C(C)CSc1ccc(c(c1)O)F 62a_100000748629_100000686035 [0,3,0,0,0,0|0,1,0]=4 19421 B13R1.511 C=C(C)CSc1ccc(c(c1)O)N 62a_100000739049_100000211660 [0,3,0,0,0,0|0,1,0]=4 19422 B13R1.511 C=C(C)CSc1ccc(c(c1)O)N 62a_100000748629_100000739049 [0,3,0,0,0,0|0,1,0]=4 19423 B13R1.511 C=C(C)CSc1ccc(c(c1)O)O 62a_100000748629_100009813601 [0,3,0,0,0,0|0,1,0]=4 19424 B13R1.511 C=C(F)CNc1ccc(c(c1)Br)Br 2230a_100011306057_100009893438 [0,3,0,0,0,0|1,0,0]=4 19425 B13R1.511 C=C(F)CNc1ccc(c(c1)Br)Br 34a_100011306057_100009893438 [0,3,0,0,0,0|1,0,0]=4 19426 B13R1.511 C=C(F)CNc1ccc(c(c1)Br)Br 7a_100011306057_100000042424 [0,3,0,0,0,0|1,0,0]=4 19427 B13R1.511 C=C(F)CNc1ccc(c(c1)Br)C 2230a_100000736455_100009893438 [0,3,0,0,0,0|1,0,0]=4 19428 B13R1.511 C=C(F)CNc1ccc(c(c1)Br)C 34a_100000736455_100009893438 [0,3,0,0,0,0|1,0,0]=4 19429 B13R1.511 C=C(F)CNc1ccc(c(c1)Br)C 7a_100000736455_100000042424 [0,3,0,0,0,0|1,0,0]=4 19430 B13R1.511 C=C(F)CNc1ccc(c(c1)Br)Cl 2230a_100000686031_100009893438 [0,3,0,0,0,0|1,0,0]=4 19431 B13R1.511 C=C(F)CNc1ccc(c(c1)Br)Cl 34a_100000686031_100009893438 [0,3,0,0,0,0|1,0,0]=4 19432 B13R1.511 C=C(F)CNc1ccc(c(c1)Br)F 2230a_100000760356_100009893438 [0,3,0,0,0,0|1,0,0]=4 19433 B13R1.511 C=C(F)CNc1ccc(c(c1)Br)F 34a_100000760356_100009893438 [0,3,0,0,0,0|1,0,0]=4 19434 B13R1.511 C=C(F)CNc1ccc(c(c1)Br)F 7a_100000760356_100000042424 [0,3,0,0,0,0|1,0,0]=4 19435 B13R1.511 C=C(F)CNc1ccc(c(c1)Br)I 34a_100000750458_100009893438 [0,3,0,0,0,0|1,0,0]=4 19436 B13R1.511 C=C(F)CNc1ccc(c(c1)Br)O 34a_100011534360_100009893438 [0,3,0,0,0,0|1,0,0]=4 19437 B13R1.511 C=C(F)CNc1ccc(c(c1)C)Br 2230a_100000210723_100009893438 [0,3,0,0,0,0|1,0,0]=4 19438 B13R1.511 C=C(F)CNc1ccc(c(c1)C)Br 34a_100000210723_100009893438 [0,3,0,0,0,0|1,0,0]=4 19439 B13R1.511 C=C(F)CNc1ccc(c(c1)C)Br 7a_100000210723_100000042424 [0,3,0,0,0,0|1,0,0]=4 19440 B13R1.511 C=C(F)CNc1ccc(c(c1)C)C 2230a_100000724040_100009893438 [0,3,0,0,0,0|1,0,0]=4 19441 B13R1.511 C=C(F)CNc1ccc(c(c1)C)C 34a_100000724040_100009893438 [0,3,0,0,0,0|1,0,0]=4 19442 B13R1.511 C=C(F)CNc1ccc(c(c1)C)C 7a_100000724040_100000042424 [0,3,0,0,0,0|1,0,0]=4 19443 B13R1.511 C=C(F)CNc1ccc(c(c1)C)Cl 2230a_100000187808_100009893438 [0,3,0,0,0,0|1,0,0]=4 19444 B13R1.511 C=C(F)CNc1ccc(c(c1)C)Cl 34a_100000187808_100009893438 [0,3,0,0,0,0|1,0,0]=4 19445 B13R1.511 C=C(F)CNc1ccc(c(c1)C)Cl 7a_100000187808_100000042424 [0,3,0,0,0,0|1,0,0]=4 19446 B13R1.511 C=C(F)CNc1ccc(c(c1)C)F 2230a_100000750164_100009893438 [0,3,0,0,0,0|1,0,0]=4 19447 B13R1.511 C=C(F)CNc1ccc(c(c1)C)F 34a_100000750164_100009893438 [0,3,0,0,0,0|1,0,0]=4 19448 B13R1.511 C=C(F)CNc1ccc(c(c1)C)F 7a_100000750164_100000042424 [0,3,0,0,0,0|1,0,0]=4 19449 B13R1.511 C=C(F)CNc1ccc(c(c1)C)I 34a_100000198070_100009893438 [0,3,0,0,0,0|1,0,0]=4 19450 B13R1.511 C=C(F)CNc1ccc(c(c1)C)I 7a_100000198070_100000042424 [0,3,0,0,0,0|1,0,0]=4 19451 B13R1.511 C=C(F)CNc1ccc(c(c1)C)O 34a_100011218179_100009893438 [0,3,0,0,0,0|1,0,0]=4 19452 B13R1.511 C=C(F)CNc1ccc(c(c1)C)O 7a_100011218179_100000042424 [0,3,0,0,0,0|1,0,0]=4 19453 B13R1.511 C=C(F)CNc1ccc(c(c1)Cl)Br 2230a_100000687081_100009893438 [0,3,0,0,0,0|1,0,0]=4 19454 B13R1.511 C=C(F)CNc1ccc(c(c1)Cl)Br 34a_100000687081_100009893438 [0,3,0,0,0,0|1,0,0]=4 19455 B13R1.511 C=C(F)CNc1ccc(c(c1)Cl)Br 7a_100000687081_100000042424 [0,3,0,0,0,0|1,0,0]=4 19456 B13R1.511 C=C(F)CNc1ccc(c(c1)Cl)C 2230a_100000188892_100009893438 [0,3,0,0,0,0|1,0,0]=4 19457 B13R1.511 C=C(F)CNc1ccc(c(c1)Cl)C 34a_100000188892_100009893438 [0,3,0,0,0,0|1,0,0]=4 19458 B13R1.511 C=C(F)CNc1ccc(c(c1)Cl)C 7a_100000188892_100000042424 [0,3,0,0,0,0|1,0,0]=4 19459 B13R1.511 C=C(F)CNc1ccc(c(c1)Cl)Cl 2230a_100000184108_100009893438 [0,3,0,0,0,0|1,0,0]=4 19460 B13R1.511 C=C(F)CNc1ccc(c(c1)Cl)Cl 34a_100000184108_100009893438 [0,3,0,0,0,0|1,0,0]=4 19461 B13R1.511 C=C(F)CNc1ccc(c(c1)Cl)F 2230a_100000211060_100009893438 [0,3,0,0,0,0|1,0,0]=4 19462 B13R1.511 C=C(F)CNc1ccc(c(c1)Cl)F 34a_100000211060_100009893438 [0,3,0,0,0,0|1,0,0]=4 19463 B13R1.511 C=C(F)CNc1ccc(c(c1)Cl)F 7a_100000211060_100000042424 [0,3,0,0,0,0|1,0,0]=4 19464 B13R1.511 C=C(F)CNc1ccc(c(c1)Cl)I 34a_100000761885_100009893438 [0,3,0,0,0,0|1,0,0]=4 19465 B13R1.511 C=C(F)CNc1ccc(c(c1)Cl)O 34a_100000744943_100009893438 [0,3,0,0,0,0|1,0,0]=4 19466 B13R1.511 C=C(F)CNc1ccc(c(c1)F)Br 2230a_100000759894_100009893438 [0,3,0,0,0,0|1,0,0]=4 19467 B13R1.511 C=C(F)CNc1ccc(c(c1)F)Br 34a_100000759894_100009893438 [0,3,0,0,0,0|1,0,0]=4 19468 B13R1.511 C=C(F)CNc1ccc(c(c1)F)Br 7a_100000759894_100000042424 [0,3,0,0,0,0|1,0,0]=4 19469 B13R1.511 C=C(F)CNc1ccc(c(c1)F)C 2230a_100000210958_100009893438 [0,3,0,0,0,0|1,0,0]=4 19470 B13R1.511 C=C(F)CNc1ccc(c(c1)F)C 34a_100000210958_100009893438 [0,3,0,0,0,0|1,0,0]=4 19471 B13R1.511 C=C(F)CNc1ccc(c(c1)F)C 7a_100000210958_100000042424 [0,3,0,0,0,0|1,0,0]=4 19472 B13R1.511 C=C(F)CNc1ccc(c(c1)F)Cl 2230a_100000739366_100009893438 [0,3,0,0,0,0|1,0,0]=4 19473 B13R1.511 C=C(F)CNc1ccc(c(c1)F)Cl 34a_100000739366_100009893438 [0,3,0,0,0,0|1,0,0]=4 19474 B13R1.511 C=C(F)CNc1ccc(c(c1)F)Cl 7a_100000739366_100000042424 [0,3,0,0,0,0|1,0,0]=4 19475 B13R1.511 C=C(F)CNc1ccc(c(c1)F)F 2230a_100000210724_100009893438 [0,3,0,0,0,0|1,0,0]=4 19476 B13R1.511 C=C(F)CNc1ccc(c(c1)F)F 34a_100000210724_100009893438 [0,3,0,0,0,0|1,0,0]=4 19477 B13R1.511 C=C(F)CNc1ccc(c(c1)F)F 7a_100000210724_100000042424 [0,3,0,0,0,0|1,0,0]=4 19478 B13R1.511 C=C(F)CNc1ccc(c(c1)F)I 34a_100011356925_100009893438 [0,3,0,0,0,0|1,0,0]=4 19479 B13R1.511 C=C(F)CNc1ccc(c(c1)F)I 7a_100011356925_100000042424 [0,3,0,0,0,0|1,0,0]=4 19480 B13R1.511 C=C(F)CNc1ccc(c(c1)F)O 34a_100011220035_100009893438 [0,3,0,0,0,0|1,0,0]=4 19481 B13R1.511 C=C(F)CNc1ccc(c(c1)F)O 7a_100011220035_100000042424 [0,3,0,0,0,0|1,0,0]=4 19482 B13R1.511 C=C(F)CNc1ccc(c(c1)I)Br 34a_100000750459_100009893438 [0,3,0,0,0,0|1,0,0]=4 19483 B13R1.511 C=C(F)CNc1ccc(c(c1)I)C 34a_100000184131_100009893438 [0,3,0,0,0,0|1,0,0]=4 19484 B13R1.511 C=C(F)CNc1ccc(c(c1)I)C 7a_100000184131_100000042424 [0,3,0,0,0,0|1,0,0]=4 19485 B13R1.511 C=C(F)CNc1ccc(c(c1)I)Cl 34a_100012360549_100009893438 [0,3,0,0,0,0|1,0,0]=4 19486 B13R1.511 C=C(F)CNc1ccc(c(c1)I)F 34a_114828291077_100009893438 [0,3,0,0,0,0|1,0,0]=4 19487 B13R1.511 C=C(F)CNc1ccc(c(c1)I)F 7a_114828291077_100000042424 [0,3,0,0,0,0|1,0,0]=4 19488 B13R1.511 C=C(F)CNc1ccc(c(c1)O)C 34a_100000759471_100009893438 [0,3,0,0,0,0|1,0,0]=4 19489 B13R1.511 C=C(F)CNc1ccc(c(c1)O)C 7a_100000759471_100000042424 [0,3,0,0,0,0|1,0,0]=4 19490 B13R1.511 C=C(F)CNc1ccc(c(c1)O)Cl 34a_100011934209_100009893438 [0,3,0,0,0,0|1,0,0]=4 19491 B13R1.511 C=C(F)CNc1ccc(c(c1)O)F 34a_100012017398_100009893438 [0,3,0,0,0,0|1,0,0]=4 19492 B13R1.511 C=C(F)CNc1ccc(c(c1)O)F 7a_100012017398_100000042424 [0,3,0,0,0,0|1,0,0]=4 19493 B13R1.511 C=C(F)CNc1ccc(c(c1)O)O 34a_100102946323_100009893438 [0,3,0,0,0,0|1,0,0]=4 19494 B13R1.511 C=C(F)COc1cc(c(cn1)Br)C 34a_100000766222_100009893438 [0,3,0,0,0,0|1,0,0]=4 19495 B13R1.511 C=C(F)COc1cc(c(cn1)Br)Cl 34a_100010369989_100009893438 [0,3,0,0,0,0|1,0,0]=4 19496 B13R1.511 C=C(F)COc1cc(c(cn1)C)Br 34a_100009831917_100009893438 [0,3,0,0,0,0|1,0,0]=4 19497 B13R1.511 C=C(F)COc1cc(c(cn1)Cl)C 34a_200000085746_100009893438 [0,3,0,0,0,0|1,0,0]=4 19498 B13R1.511 C=C(F)COc1cc(c(cn1)Cl)Cl 34a_200000099200_100009893438 [0,3,0,0,0,0|1,0,0]=4 19499 B13R1.511 C=C(F)COc1ccc(c(c1)Br)C 34a_100011380479_100009893438 [0,3,0,0,0,0|0,0,0]=3 19500 B13R1.511 C=C(F)COc1ccc(c(c1)Br)C 7a_100011380479_100000042424 [0,3,0,0,0,0|0,0,0]=3 19501 B13R1.511 C=C(F)COc1ccc(c(c1)Br)Cl 34a_100011933957_100009893438 [0,3,0,0,0,0|0,0,0]=3 19502 B13R1.511 C=C(F)COc1ccc(c(c1)Br)Cl 7a_100011933957_100000042424 [0,3,0,0,0,0|0,0,0]=3 19503 B13R1.511 C=C(F)COc1ccc(c(c1)Br)F 34a_100000693481_100009893438 [0,3,0,0,0,0|0,0,0]=3 19504 B13R1.511 C=C(F)COc1ccc(c(c1)Br)F 7a_100000693481_100000042424 [0,3,0,0,0,0|0,0,0]=3 19505 B13R1.511 C=C(F)COc1ccc(c(c1)Br)I 34a_100000701344_100009893438 [0,3,0,0,0,0|0,0,0]=3 19506 B13R1.511 C=C(F)COc1ccc(c(c1)Br)I 7a_100000701344_100000042424 [0,3,0,0,0,0|0,0,0]=3 19507 B13R1.511 C=C(F)COc1ccc(c(c1)Br)N 34a_100012001276_100009893438 [0,3,0,0,0,0|0,0,0]=3 19508 B13R1.511 C=C(F)COc1ccc(c(c1)Br)N 7a_100012001276_100000042424 [0,3,0,0,0,0|0,0,0]=3 19509 B13R1.511 C=C(F)COc1ccc(c(c1)C)Br 34a_100000690111_100009893438 [0,3,0,0,0,0|0,0,0]=3 19510 B13R1.511 C=C(F)COc1ccc(c(c1)C)Br 7a_100000690111_100000042424 [0,3,0,0,0,0|0,0,0]=3 19511 B13R1.511 C=C(F)COc1ccc(c(c1)C)C 34a_100000210932_100009893438 [0,3,0,0,0,0|0,0,0]=3 19512 B13R1.511 C=C(F)COc1ccc(c(c1)C)C 7a_100000210932_100000042424 [0,3,0,0,0,0|0,0,0]=3 19513 B13R1.511 C=C(F)COc1ccc(c(c1)C)Cl 34a_100000211092_100009893438 [0,3,0,0,0,0|0,0,0]=3 19514 B13R1.511 C=C(F)COc1ccc(c(c1)C)Cl 7a_100000211092_100000042424 [0,3,0,0,0,0|0,0,0]=3 19515 B13R1.511 C=C(F)COc1ccc(c(c1)C)F 34a_100000751312_100009893438 [0,3,0,0,0,0|0,0,0]=3 19516 B13R1.511 C=C(F)COc1ccc(c(c1)C)F 7a_100000751312_100000042424 [0,3,0,0,0,0|0,0,0]=3 19517 B13R1.511 C=C(F)COc1ccc(c(c1)C)I 34a_100000729255_100009893438 [0,3,0,0,0,0|0,0,0]=3 19518 B13R1.511 C=C(F)COc1ccc(c(c1)C)I 7a_100000729255_100000042424 [0,3,0,0,0,0|0,0,0]=3 19519 B13R1.511 C=C(F)COc1ccc(c(c1)C)N 34a_100000756630_100009893438 [0,3,0,0,0,0|0,0,0]=3 19520 B13R1.511 C=C(F)COc1ccc(c(c1)C)N 7a_100000756630_100000042424 [0,3,0,0,0,0|0,0,0]=3 19521 B13R1.511 C=C(F)COc1ccc(c(c1)Cl)Br 34a_100011215161_100009893438 [0,3,0,0,0,0|0,0,0]=3 19522 B13R1.511 C=C(F)COc1ccc(c(c1)Cl)Br 7a_100011215161_100000042424 [0,3,0,0,0,0|0,0,0]=3 19523 B13R1.511 C=C(F)COc1ccc(c(c1)Cl)C 34a_100011265682_100009893438 [0,3,0,0,0,0|0,0,0]=3 19524 B13R1.511 C=C(F)COc1ccc(c(c1)Cl)C 7a_100011265682_100000042424 [0,3,0,0,0,0|0,0,0]=3 19525 B13R1.511 C=C(F)COc1ccc(c(c1)Cl)Cl 34a_100000211054_100009893438 [0,3,0,0,0,0|0,0,0]=3 19526 B13R1.511 C=C(F)COc1ccc(c(c1)Cl)Cl 7a_100000211054_100000042424 [0,3,0,0,0,0|0,0,0]=3 19527 B13R1.511 C=C(F)COc1ccc(c(c1)Cl)F 34a_100000211030_100009893438 [0,3,0,0,0,0|0,0,0]=3 19528 B13R1.511 C=C(F)COc1ccc(c(c1)Cl)F 7a_100000211030_100000042424 [0,3,0,0,0,0|0,0,0]=3 19529 B13R1.511 C=C(F)COc1ccc(c(c1)Cl)I 34a_100000047559_100009893438 [0,3,0,0,0,0|0,0,0]=3 19530 B13R1.511 C=C(F)COc1ccc(c(c1)Cl)I 7a_100000047559_100000042424 [0,3,0,0,0,0|0,0,0]=3 19531 B13R1.511 C=C(F)COc1ccc(c(c1)Cl)N 34a_100011215599_100009893438 [0,3,0,0,0,0|0,0,0]=3 19532 B13R1.511 C=C(F)COc1ccc(c(c1)Cl)N 7a_100011215599_100000042424 [0,3,0,0,0,0|0,0,0]=3 19533 B13R1.511 C=C(F)COc1ccc(c(c1)F)Br 34a_100000755031_100009893438 [0,3,0,0,0,0|0,0,0]=3 19534 B13R1.511 C=C(F)COc1ccc(c(c1)F)Br 7a_100000755031_100000042424 [0,3,0,0,0,0|0,0,0]=3 19535 B13R1.511 C=C(F)COc1ccc(c(c1)F)C 34a_100000722560_100009893438 [0,3,0,0,0,0|0,0,0]=3 19536 B13R1.511 C=C(F)COc1ccc(c(c1)F)C 7a_100000722560_100000042424 [0,3,0,0,0,0|0,0,0]=3 19537 B13R1.511 C=C(F)COc1ccc(c(c1)F)Cl 34a_100000691581_100009893438 [0,3,0,0,0,0|0,0,0]=3 19538 B13R1.511 C=C(F)COc1ccc(c(c1)F)Cl 7a_100000691581_100000042424 [0,3,0,0,0,0|0,0,0]=3 19539 B13R1.511 C=C(F)COc1ccc(c(c1)F)F 34a_100000181275_100009893438 [0,3,0,0,0,0|0,0,0]=3 19540 B13R1.511 C=C(F)COc1ccc(c(c1)F)F 7a_100000181275_100000042424 [0,3,0,0,0,0|0,0,0]=3 19541 B13R1.511 C=C(F)COc1ccc(c(c1)F)I 34a_100009990212_100009893438 [0,3,0,0,0,0|0,0,0]=3 19542 B13R1.511 C=C(F)COc1ccc(c(c1)F)I 7a_100009990212_100000042424 [0,3,0,0,0,0|0,0,0]=3 19543 B13R1.511 C=C(F)COc1ccc(c(c1)F)N 34a_100000759473_100009893438 [0,3,0,0,0,0|0,0,0]=3 19544 B13R1.511 C=C(F)COc1ccc(c(c1)F)N 7a_100000759473_100000042424 [0,3,0,0,0,0|0,0,0]=3 19545 B13R1.511 C=C(F)COc1ccc(c(c1)I)Br 34a_100012339312_100009893438 [0,3,0,0,0,0|0,0,0]=3 19546 B13R1.511 C=C(F)COc1ccc(c(c1)I)Br 7a_100012339312_100000042424 [0,3,0,0,0,0|0,0,0]=3 19547 B13R1.511 C=C(F)COc1ccc(c(c1)I)Cl 34a_100000049588_100009893438 [0,3,0,0,0,0|0,0,0]=3 19548 B13R1.511 C=C(F)COc1ccc(c(c1)I)Cl 7a_100000049588_100000042424 [0,3,0,0,0,0|0,0,0]=3 19549 B13R1.511 C=C(F)COc1ccc(c(c1)I)N 34a_100010084370_100009893438 [0,3,0,0,0,0|0,0,0]=3 19550 B13R1.511 C=C(F)COc1ccc(c(c1)I)N 7a_100010084370_100000042424 [0,3,0,0,0,0|0,0,0]=3 19551 B13R1.511 C=C(F)COc1ccc(c(c1)N)Br 34a_100011999798_100009893438 [0,3,0,0,0,0|0,0,0]=3 19552 B13R1.511 C=C(F)COc1ccc(c(c1)N)Br 7a_100011999798_100000042424 [0,3,0,0,0,0|0,0,0]=3 19553 B13R1.511 C=C(F)COc1ccc(c(c1)N)C 34a_100011216113_100009893438 [0,3,0,0,0,0|0,0,0]=3 19554 B13R1.511 C=C(F)COc1ccc(c(c1)N)C 7a_100011216113_100000042424 [0,3,0,0,0,0|0,0,0]=3 19555 B13R1.511 C=C(F)COc1ccc(c(c1)N)Cl 34a_100011934297_100009893438 [0,3,0,0,0,0|0,0,0]=3 19556 B13R1.511 C=C(F)COc1ccc(c(c1)N)F 34a_100012017239_100009893438 [0,3,0,0,0,0|0,0,0]=3 19557 B13R1.511 C=C(F)COc1ccc(c(c1)N)F 7a_100012017239_100000042424 [0,3,0,0,0,0|0,0,0]=3 19558 B13R1.511 C=C(F)COc1ccc(c(c1)N)N 34a_100025771000_100009893438 [0,3,0,0,0,0|0,0,0]=3 19559 B13R1.511 C=C(F)COc1ccc(c(n1)C)Br 34a_100000691680_100009893438 [0,3,0,0,0,0|1,0,0]=4 19560 B13R1.511 C=C(F)COc1ccc(c(n1)C)Cl 34a_200009863735_100009893438 [0,3,0,0,0,0|1,0,0]=4 19561 B13R1.511 C=C(F)COc1ccc(c(n1)F)Br 34a_100009879308_100009893438 [0,3,0,0,0,0|1,0,0]=4 19562 B13R1.511 C=C(F)COc1cnc(c(c1)Br)C 34a_100009819603_100009893438 [0,3,0,0,0,0|1,0,0]=4 19563 B13R1.511 C=C(F)COc1cnc(c(c1)Br)C 7a_100009819603_100000042424 [0,3,0,0,0,0|1,0,0]=4 19564 B13R1.511 C=C(F)COc1cnc(c(c1)Br)Cl 34a_100012356455_100009893438 [0,3,0,0,0,0|1,0,0]=4 19565 B13R1.511 C=C(F)COc1cnc(c(c1)Br)Cl 7a_100012356455_100000042424 [0,3,0,0,0,0|1,0,0]=4 19566 B13R1.511 C=C(F)COc1cnc(c(c1)Br)F 34a_100009817267_100009893438 [0,3,0,0,0,0|1,0,0]=4 19567 B13R1.511 C=C(F)COc1cnc(c(c1)Br)F 7a_100009817267_100000042424 [0,3,0,0,0,0|1,0,0]=4 19568 B13R1.511 C=C(F)COc1cnc(c(c1)C)Br 34a_100012000486_100009893438 [0,3,0,0,0,0|1,0,0]=4 19569 B13R1.511 C=C(F)COc1cnc(c(c1)C)Br 7a_100012000486_100000042424 [0,3,0,0,0,0|1,0,0]=4 19570 B13R1.511 C=C(F)COc1cnc(c(c1)C)C 34a_100009854398_100009893438 [0,3,0,0,0,0|1,0,0]=4 19571 B13R1.511 C=C(F)COc1cnc(c(c1)C)C 7a_100009854398_100000042424 [0,3,0,0,0,0|1,0,0]=4 19572 B13R1.511 C=C(F)COc1cnc(c(c1)C)Cl 34a_100012002680_100009893438 [0,3,0,0,0,0|1,0,0]=4 19573 B13R1.511 C=C(F)COc1cnc(c(c1)C)Cl 7a_100012002680_100000042424 [0,3,0,0,0,0|1,0,0]=4 19574 B13R1.511 C=C(F)COc1cnc(c(c1)C)F 34a_100000094615_100009893438 [0,3,0,0,0,0|1,0,0]=4 19575 B13R1.511 C=C(F)COc1cnc(c(c1)C)F 7a_100000094615_100000042424 [0,3,0,0,0,0|1,0,0]=4 19576 B13R1.511 C=C(F)COc1cnc(c(c1)Cl)Br 34a_100010209684_100009893438 [0,3,0,0,0,0|1,0,0]=4 19577 B13R1.511 C=C(F)COc1cnc(c(c1)Cl)Br 7a_100010209684_100000042424 [0,3,0,0,0,0|1,0,0]=4 19578 B13R1.511 C=C(F)COc1cnc(c(c1)Cl)Cl 34a_100000094354_100009893438 [0,3,0,0,0,0|1,0,0]=4 19579 B13R1.511 C=C(F)COc1cnc(c(c1)Cl)Cl 7a_100000094354_100000042424 [0,3,0,0,0,0|1,0,0]=4 19580 B13R1.511 C=C(F)COc1cnc(c(c1)Cl)F 34a_100000087088_100009893438 [0,3,0,0,0,0|1,0,0]=4 19581 B13R1.511 C=C(F)COc1cnc(c(c1)Cl)F 7a_100000087088_100000042424 [0,3,0,0,0,0|1,0,0]=4 19582 B13R1.511 C=C(F)COc1cnc(c(c1)F)Cl 34a_100000063512_100009893438 [0,3,0,0,0,0|1,0,0]=4 19583 B13R1.511 C=C(F)COc1cnc(c(c1)F)Cl 7a_100000063512_100000042424 [0,3,0,0,0,0|1,0,0]=4 19584 B13R1.511 C=C(F)CSc1ccc(c(c1)Br)Br 62a_100000042424_100012356285 [0,3,0,0,0,0|0,1,0]=4 19585 B13R1.511 C=C(F)CSc1ccc(c(c1)Br)Br 62a_100012356285_100000042424 [0,3,0,0,0,0|0,1,0]=4 19586 B13R1.511 C=C(F)CSc1ccc(c(c1)Br)C 62a_100000042424_100011847877 [0,3,0,0,0,0|0,1,0]=4 19587 B13R1.511 C=C(F)CSc1ccc(c(c1)Br)C 62a_100011847877_100000042424 [0,3,0,0,0,0|0,1,0]=4 19588 B13R1.511 C=C(F)CSc1ccc(c(c1)Br)Cl 62a_100000042424_100012353702 [0,3,0,0,0,0|0,1,0]=4 19589 B13R1.511 C=C(F)CSc1ccc(c(c1)Br)Cl 62a_100012353702_100000042424 [0,3,0,0,0,0|0,1,0]=4 19590 B13R1.511 C=C(F)CSc1ccc(c(c1)Br)F 62a_100000042424_100012047266 [0,3,0,0,0,0|0,1,0]=4 19591 B13R1.511 C=C(F)CSc1ccc(c(c1)Br)F 62a_100012047266_100000042424 [0,3,0,0,0,0|0,1,0]=4 19592 B13R1.511 C=C(F)CSc1ccc(c(c1)Br)N 62a_100000042424_100000750455 [0,3,0,0,0,0|0,1,0]=4 19593 B13R1.511 C=C(F)CSc1ccc(c(c1)Br)N 62a_100000750455_100000042424 [0,3,0,0,0,0|0,1,0]=4 19594 B13R1.511 C=C(F)CSc1ccc(c(c1)Br)O 62a_100000042424_100012361655 [0,3,0,0,0,0|0,1,0]=4 19595 B13R1.511 C=C(F)CSc1ccc(c(c1)Br)O 62a_100012361655_100000042424 [0,3,0,0,0,0|0,1,0]=4 19596 B13R1.511 C=C(F)CSc1ccc(c(c1)C)Br 62a_100000042424_100009813585 [0,3,0,0,0,0|0,1,0]=4 19597 B13R1.511 C=C(F)CSc1ccc(c(c1)C)Br 62a_100009813585_100000042424 [0,3,0,0,0,0|0,1,0]=4 19598 B13R1.511 C=C(F)CSc1ccc(c(c1)C)C 62a_100000042424_100011215607 [0,3,0,0,0,0|0,1,0]=4 19599 B13R1.511 C=C(F)CSc1ccc(c(c1)C)C 62a_100011215607_100000042424 [0,3,0,0,0,0|0,1,0]=4 19600 B13R1.511 C=C(F)CSc1ccc(c(c1)C)Cl 62a_100000042424_100000049509 [0,3,0,0,0,0|0,1,0]=4 19601 B13R1.511 C=C(F)CSc1ccc(c(c1)C)Cl 62a_100000049509_100000042424 [0,3,0,0,0,0|0,1,0]=4 19602 B13R1.511 C=C(F)CSc1ccc(c(c1)C)F 62a_100000042424_100011218330 [0,3,0,0,0,0|0,1,0]=4 19603 B13R1.511 C=C(F)CSc1ccc(c(c1)C)F 62a_100011218330_100000042424 [0,3,0,0,0,0|0,1,0]=4 19604 B13R1.511 C=C(F)CSc1ccc(c(c1)C)N 62a_100000042424_100000211769 [0,3,0,0,0,0|0,1,0]=4 19605 B13R1.511 C=C(F)CSc1ccc(c(c1)C)N 62a_100000211769_100000042424 [0,3,0,0,0,0|0,1,0]=4 19606 B13R1.511 C=C(F)CSc1ccc(c(c1)C)O 62a_100000042424_100000186361 [0,3,0,0,0,0|0,1,0]=4 19607 B13R1.511 C=C(F)CSc1ccc(c(c1)Cl)Br 62a_100000042424_100012047281 [0,3,0,0,0,0|0,1,0]=4 19608 B13R1.511 C=C(F)CSc1ccc(c(c1)Cl)Br 62a_100012047281_100000042424 [0,3,0,0,0,0|0,1,0]=4 19609 B13R1.511 C=C(F)CSc1ccc(c(c1)Cl)C 62a_100000042424_100011216363 [0,3,0,0,0,0|0,1,0]=4 19610 B13R1.511 C=C(F)CSc1ccc(c(c1)Cl)C 62a_100011216363_100000042424 [0,3,0,0,0,0|0,1,0]=4 19611 B13R1.511 C=C(F)CSc1ccc(c(c1)Cl)Cl 62a_100000042424_100011214914 [0,3,0,0,0,0|0,1,0]=4 19612 B13R1.511 C=C(F)CSc1ccc(c(c1)Cl)Cl 62a_100011214914_100000042424 [0,3,0,0,0,0|0,1,0]=4 19613 B13R1.511 C=C(F)CSc1ccc(c(c1)Cl)F 62a_100000042424_100011215976 [0,3,0,0,0,0|0,1,0]=4 19614 B13R1.511 C=C(F)CSc1ccc(c(c1)Cl)F 62a_100011215976_100000042424 [0,3,0,0,0,0|0,1,0]=4 19615 B13R1.511 C=C(F)CSc1ccc(c(c1)Cl)N 62a_100000042424_100011218065 [0,3,0,0,0,0|0,1,0]=4 19616 B13R1.511 C=C(F)CSc1ccc(c(c1)Cl)N 62a_100011218065_100000042424 [0,3,0,0,0,0|0,1,0]=4 19617 B13R1.511 C=C(F)CSc1ccc(c(c1)Cl)O 62a_100000042424_100012360047 [0,3,0,0,0,0|0,1,0]=4 19618 B13R1.511 C=C(F)CSc1ccc(c(c1)Cl)O 62a_100012360047_100000042424 [0,3,0,0,0,0|0,1,0]=4 19619 B13R1.511 C=C(F)CSc1ccc(c(c1)F)Br 62a_100000042424_100000685389 [0,3,0,0,0,0|0,1,0]=4 19620 B13R1.511 C=C(F)CSc1ccc(c(c1)F)Br 62a_100000685389_100000042424 [0,3,0,0,0,0|0,1,0]=4 19621 B13R1.511 C=C(F)CSc1ccc(c(c1)F)C 62a_100000042424_100000720648 [0,3,0,0,0,0|0,1,0]=4 19622 B13R1.511 C=C(F)CSc1ccc(c(c1)F)C 62a_100000720648_100000042424 [0,3,0,0,0,0|0,1,0]=4 19623 B13R1.511 C=C(F)CSc1ccc(c(c1)F)Cl 62a_100000042424_100011216805 [0,3,0,0,0,0|0,1,0]=4 19624 B13R1.511 C=C(F)CSc1ccc(c(c1)F)Cl 62a_100011216805_100000042424 [0,3,0,0,0,0|0,1,0]=4 19625 B13R1.511 C=C(F)CSc1ccc(c(c1)F)F 62a_100000042424_100000703953 [0,3,0,0,0,0|0,1,0]=4 19626 B13R1.511 C=C(F)CSc1ccc(c(c1)F)F 62a_100000703953_100000042424 [0,3,0,0,0,0|0,1,0]=4 19627 B13R1.511 C=C(F)CSc1ccc(c(c1)F)N 62a_100000042424_100011215594 [0,3,0,0,0,0|0,1,0]=4 19628 B13R1.511 C=C(F)CSc1ccc(c(c1)F)N 62a_100011215594_100000042424 [0,3,0,0,0,0|0,1,0]=4 19629 B13R1.511 C=C(F)CSc1ccc(c(c1)F)O 62a_100000042424_100000185481 [0,3,0,0,0,0|0,1,0]=4 19630 B13R1.511 C=C(F)CSc1ccc(c(c1)F)O 62a_100000185481_100000042424 [0,3,0,0,0,0|0,1,0]=4 19631 B13R1.511 C=C(F)CSc1ccc(c(c1)N)Br 62a_100000042424_100000750456 [0,3,0,0,0,0|0,1,0]=4 19632 B13R1.511 C=C(F)CSc1ccc(c(c1)N)Br 62a_100000750456_100000042424 [0,3,0,0,0,0|0,1,0]=4 19633 B13R1.511 C=C(F)CSc1ccc(c(c1)N)C 62a_100000042424_100000761890 [0,3,0,0,0,0|0,1,0]=4 19634 B13R1.511 C=C(F)CSc1ccc(c(c1)N)C 62a_100000761890_100000042424 [0,3,0,0,0,0|0,1,0]=4 19635 B13R1.511 C=C(F)CSc1ccc(c(c1)N)Cl 62a_100000042424_200000761891 [0,3,0,0,0,0|0,1,0]=4 19636 B13R1.511 C=C(F)CSc1ccc(c(c1)N)Cl 62a_200000761891_100000042424 [0,3,0,0,0,0|0,1,0]=4 19637 B13R1.511 C=C(F)CSc1ccc(c(c1)N)F 62a_100000042424_100000740924 [0,3,0,0,0,0|0,1,0]=4 19638 B13R1.511 C=C(F)CSc1ccc(c(c1)N)F 62a_100000740924_100000042424 [0,3,0,0,0,0|0,1,0]=4 19639 B13R1.511 C=C(F)CSc1ccc(c(c1)N)N 62a_100000042424_100011534411 [0,3,0,0,0,0|0,1,0]=4 19640 B13R1.511 C=C(F)CSc1ccc(c(c1)N)N 62a_100000741789_100000042424 [0,3,0,0,0,0|0,1,0]=4 19641 B13R1.511 C=C(F)CSc1ccc(c(c1)N)O 62a_100000042424_100000752626 [0,3,0,0,0,0|0,1,0]=4 19642 B13R1.511 C=C(F)CSc1ccc(c(c1)N)O 62a_100000752626_100000042424 [0,3,0,0,0,0|0,1,0]=4 19643 B13R1.511 C=C(F)CSc1ccc(c(c1)O)Br 62a_100000042424_100012356990 [0,3,0,0,0,0|0,1,0]=4 19644 B13R1.511 C=C(F)CSc1ccc(c(c1)O)Br 62a_100012356990_100000042424 [0,3,0,0,0,0|0,1,0]=4 19645 B13R1.511 C=C(F)CSc1ccc(c(c1)O)C 62a_100000042424_100000685420 [0,3,0,0,0,0|0,1,0]=4 19646 B13R1.511 C=C(F)CSc1ccc(c(c1)O)C 62a_100000685420_100000042424 [0,3,0,0,0,0|0,1,0]=4 19647 B13R1.511 C=C(F)CSc1ccc(c(c1)O)Cl 62a_100000042424_100011356854 [0,3,0,0,0,0|0,1,0]=4 19648 B13R1.511 C=C(F)CSc1ccc(c(c1)O)Cl 62a_100011356854_100000042424 [0,3,0,0,0,0|0,1,0]=4 19649 B13R1.511 C=C(F)CSc1ccc(c(c1)O)F 62a_100000042424_100000686035 [0,3,0,0,0,0|0,1,0]=4 19650 B13R1.511 C=C(F)CSc1ccc(c(c1)O)F 62a_100000686035_100000042424 [0,3,0,0,0,0|0,1,0]=4 19651 B13R1.511 C=C(F)CSc1ccc(c(c1)O)N 62a_100000042424_100000739049 [0,3,0,0,0,0|0,1,0]=4 19652 B13R1.511 C=C(F)CSc1ccc(c(c1)O)N 62a_100000739049_100000042424 [0,3,0,0,0,0|0,1,0]=4 19653 B13R1.511 C=C(F)CSc1ccc(c(c1)O)O 62a_100000042424_100009813601 [0,3,0,0,0,0|0,1,0]=4 19654 B13R1.511 CC(=O)COc1ccc(c(c1)C)C 1458a_100000182425_200000210301 [0,3,0,0,0,0|0,0,1]=4 19655 B13R1.511 CC(=O)COc1ccc(c(c1)C)Cl 1458a_100000182483_200000210301 [0,3,0,0,0,0|0,0,1]=4 19656 B13R1.511 CC(=O)COc1ccc(c(c1)Cl)Cl 1458a_100000191221_200000210301 [0,3,0,0,0,0|0,0,1]=4 19657 B13R1.511 CC(=O)COc1ccc(c(c1)Cl)F 1458a_100000191248_200000210301 [0,3,0,0,0,0|0,0,1]=4 19658 B13R1.511 CC(=O)COc1ccc(c(c1)F)Cl 1458a_100012982646_200000210301 [0,3,0,0,0,0|0,0,1]=4 19659 B13R1.511 CC(=O)COc1ccc(c(c1)F)F 1458a_100000246063_200000210301 [0,3,0,0,0,0|0,0,1]=4 19660 B13R1.511 Cc1cc(ccc1Br)OCC(=O)N 34a_100000690111_100000187820 [0,3,0,0,0,0|1,0,0]=4 19661 B13R1.511 Cc1cc(ccc1Br)OCC(=O)N 7a_100000690111_100000187820 [0,3,0,0,0,0|1,0,0]=4 19662 B13R1.511 Cc1cc(ccc1Br)OCC(=O)[O-] 34a_100000690111_100020667443 [0,3,0,0,0,0|1,0,0]=4 19663 B13R1.511 Cc1cc(ccc1Cl)OCC(=O)N 34a_100000211092_100000187820 [0,3,0,0,0,0|1,0,0]=4 19664 B13R1.511 Cc1cc(ccc1Cl)OCC(=O)N 7a_100000211092_100000187820 [0,3,0,0,0,0|1,0,0]=4 19665 B13R1.511 Cc1cc(ccc1Cl)OCC(=O)[13CH3] 1458a_100000182483_200025704644 [0,3,0,0,0,0|0,0,1]=4 19666 B13R1.511 Cc1cc(ccc1Cl)OCC(=O)[O-] 34a_100000211092_100020667443 [0,3,0,0,0,0|1,0,0]=4 19667 B13R1.511 Cc1cc(ccc1F)OCC(=O)N 34a_100000751312_100000187820 [0,3,0,0,0,0|1,0,0]=4 19668 B13R1.511 Cc1cc(ccc1F)OCC(=O)N 7a_100000751312_100000187820 [0,3,0,0,0,0|1,0,0]=4 19669 B13R1.511 Cc1cc(ccc1F)OCC(=O)[O-] 34a_100000751312_100020667443 [0,3,0,0,0,0|1,0,0]=4 19670 B13R1.511 Cc1cc(ccc1I)OCC(=O)N 34a_100000729255_100000187820 [0,3,0,0,0,0|1,0,0]=4 19671 B13R1.511 Cc1cc(ccc1I)OCC(=O)N 7a_100000729255_100000187820 [0,3,0,0,0,0|1,0,0]=4 19672 B13R1.511 Cc1cc(ccc1I)OCC(=O)[O-] 34a_100000729255_100020667443 [0,3,0,0,0,0|1,0,0]=4 19673 B13R1.511 Cc1cc(ccc1N)OCC(=O)N 34a_100000756630_100000187820 [0,3,0,0,0,0|1,0,0]=4 19674 B13R1.511 Cc1cc(ccc1N)OCC(=O)N 7a_100000756630_100000187820 [0,3,0,0,0,0|1,0,0]=4 19675 B13R1.511 Cc1cc(ccc1N)OCC(=O)[O-] 34a_100000756630_100020667443 [0,3,0,0,0,0|1,0,0]=4 19676 B13R1.511 Cc1ccc(cc1Br)OCC(=O)N 34a_100011380479_100000187820 [0,3,0,0,0,0|1,0,0]=4 19677 B13R1.511 Cc1ccc(cc1Br)OCC(=O)N 7a_100011380479_100000187820 [0,3,0,0,0,0|1,0,0]=4 19678 B13R1.511 Cc1ccc(cc1Br)OCC(=O)[O-] 34a_100011380479_100020667443 [0,3,0,0,0,0|1,0,0]=4 19679 B13R1.511 Cc1ccc(cc1C)OCC(=O)N 34a_100000210932_100000187820 [0,3,0,0,0,0|1,0,0]=4 19680 B13R1.511 Cc1ccc(cc1C)OCC(=O)N 7a_100000210932_100000187820 [0,3,0,0,0,0|1,0,0]=4 19681 B13R1.511 Cc1ccc(cc1C)OCC(=O)[13CH3] 1458a_100000182425_200025704644 [0,3,0,0,0,0|0,0,1]=4 19682 B13R1.511 Cc1ccc(cc1C)OCC(=O)[O-] 34a_100000210932_100020667443 [0,3,0,0,0,0|1,0,0]=4 19683 B13R1.511 Cc1ccc(cc1Cl)OCC(=O)N 34a_100011265682_100000187820 [0,3,0,0,0,0|1,0,0]=4 19684 B13R1.511 Cc1ccc(cc1Cl)OCC(=O)N 7a_100011265682_100000187820 [0,3,0,0,0,0|1,0,0]=4 19685 B13R1.511 Cc1ccc(cc1Cl)OCC(=O)[O-] 34a_100011265682_100020667443 [0,3,0,0,0,0|1,0,0]=4 19686 B13R1.511 Cc1ccc(cc1F)OCC(=O)N 34a_100000722560_100000187820 [0,3,0,0,0,0|1,0,0]=4 19687 B13R1.511 Cc1ccc(cc1F)OCC(=O)N 7a_100000722560_100000187820 [0,3,0,0,0,0|1,0,0]=4 19688 B13R1.511 Cc1ccc(cc1F)OCC(=O)[O-] 34a_100000722560_100020667443 [0,3,0,0,0,0|1,0,0]=4 19689 B13R1.511 Cc1ccc(cc1N)OCC(=O)N 34a_100011216113_100000187820 [0,3,0,0,0,0|1,0,0]=4 19690 B13R1.511 Cc1ccc(cc1N)OCC(=O)N 7a_100011216113_100000187820 [0,3,0,0,0,0|1,0,0]=4 19691 B13R1.511 Cc1ccc(cc1N)OCC(=O)[O-] 34a_100011216113_100020667443 [0,3,0,0,0,0|1,0,0]=4 19692 B13R1.511 NC(=O)COc1ccc(c(c1)Br)Cl 34a_100011933957_100000187820 [0,3,0,0,0,0|1,0,0]=4 19693 B13R1.511 NC(=O)COc1ccc(c(c1)Br)Cl 7a_100011933957_100000187820 [0,3,0,0,0,0|1,0,0]=4 19694 B13R1.511 NC(=O)COc1ccc(c(c1)Br)F 34a_100000693481_100000187820 [0,3,0,0,0,0|1,0,0]=4 19695 B13R1.511 NC(=O)COc1ccc(c(c1)Br)F 7a_100000693481_100000187820 [0,3,0,0,0,0|1,0,0]=4 19696 B13R1.511 NC(=O)COc1ccc(c(c1)Br)I 34a_100000701344_100000187820 [0,3,0,0,0,0|1,0,0]=4 19697 B13R1.511 NC(=O)COc1ccc(c(c1)Br)I 7a_100000701344_100000187820 [0,3,0,0,0,0|1,0,0]=4 19698 B13R1.511 NC(=O)COc1ccc(c(c1)Br)N 34a_100012001276_100000187820 [0,3,0,0,0,0|1,0,0]=4 19699 B13R1.511 NC(=O)COc1ccc(c(c1)Br)N 7a_100012001276_100000187820 [0,3,0,0,0,0|1,0,0]=4 19700 B13R1.511 NC(=O)COc1ccc(c(c1)Cl)Br 34a_100011215161_100000187820 [0,3,0,0,0,0|1,0,0]=4 19701 B13R1.511 NC(=O)COc1ccc(c(c1)Cl)Br 7a_100011215161_100000187820 [0,3,0,0,0,0|1,0,0]=4 19702 B13R1.511 NC(=O)COc1ccc(c(c1)Cl)Cl 34a_100000211054_100000187820 [0,3,0,0,0,0|1,0,0]=4 19703 B13R1.511 NC(=O)COc1ccc(c(c1)Cl)Cl 7a_100000211054_100000187820 [0,3,0,0,0,0|1,0,0]=4 19704 B13R1.511 NC(=O)COc1ccc(c(c1)Cl)F 34a_100000211030_100000187820 [0,3,0,0,0,0|1,0,0]=4 19705 B13R1.511 NC(=O)COc1ccc(c(c1)Cl)F 7a_100000211030_100000187820 [0,3,0,0,0,0|1,0,0]=4 19706 B13R1.511 NC(=O)COc1ccc(c(c1)Cl)I 34a_100000047559_100000187820 [0,3,0,0,0,0|1,0,0]=4 19707 B13R1.511 NC(=O)COc1ccc(c(c1)Cl)I 7a_100000047559_100000187820 [0,3,0,0,0,0|1,0,0]=4 19708 B13R1.511 NC(=O)COc1ccc(c(c1)Cl)N 34a_100011215599_100000187820 [0,3,0,0,0,0|1,0,0]=4 19709 B13R1.511 NC(=O)COc1ccc(c(c1)Cl)N 7a_100011215599_100000187820 [0,3,0,0,0,0|1,0,0]=4 19710 B13R1.511 NC(=O)COc1ccc(c(c1)F)Br 34a_100000755031_100000187820 [0,3,0,0,0,0|1,0,0]=4 19711 B13R1.511 NC(=O)COc1ccc(c(c1)F)Br 7a_100000755031_100000187820 [0,3,0,0,0,0|1,0,0]=4 19712 B13R1.511 NC(=O)COc1ccc(c(c1)F)Cl 34a_100000691581_100000187820 [0,3,0,0,0,0|1,0,0]=4 19713 B13R1.511 NC(=O)COc1ccc(c(c1)F)Cl 7a_100000691581_100000187820 [0,3,0,0,0,0|1,0,0]=4 19714 B13R1.511 NC(=O)COc1ccc(c(c1)F)F 34a_100000181275_100000187820 [0,3,0,0,0,0|1,0,0]=4 19715 B13R1.511 NC(=O)COc1ccc(c(c1)F)F 7a_100000181275_100000187820 [0,3,0,0,0,0|1,0,0]=4 19716 B13R1.511 NC(=O)COc1ccc(c(c1)F)I 34a_100009990212_100000187820 [0,3,0,0,0,0|1,0,0]=4 19717 B13R1.511 NC(=O)COc1ccc(c(c1)F)I 7a_100009990212_100000187820 [0,3,0,0,0,0|1,0,0]=4 19718 B13R1.511 NC(=O)COc1ccc(c(c1)F)N 34a_100000759473_100000187820 [0,3,0,0,0,0|1,0,0]=4 19719 B13R1.511 NC(=O)COc1ccc(c(c1)F)N 7a_100000759473_100000187820 [0,3,0,0,0,0|1,0,0]=4 19720 B13R1.511 NC(=O)COc1ccc(c(c1)I)Br 34a_100012339312_100000187820 [0,3,0,0,0,0|1,0,0]=4 19721 B13R1.511 NC(=O)COc1ccc(c(c1)I)Br 7a_100012339312_100000187820 [0,3,0,0,0,0|1,0,0]=4 19722 B13R1.511 NC(=O)COc1ccc(c(c1)I)Cl 34a_100000049588_100000187820 [0,3,0,0,0,0|1,0,0]=4 19723 B13R1.511 NC(=O)COc1ccc(c(c1)I)Cl 7a_100000049588_100000187820 [0,3,0,0,0,0|1,0,0]=4 19724 B13R1.511 NC(=O)COc1ccc(c(c1)I)N 34a_100010084370_100000187820 [0,3,0,0,0,0|1,0,0]=4 19725 B13R1.511 NC(=O)COc1ccc(c(c1)I)N 7a_100010084370_100000187820 [0,3,0,0,0,0|1,0,0]=4 19726 B13R1.511 NC(=O)COc1ccc(c(c1)N)Br 34a_100011999798_100000187820 [0,3,0,0,0,0|1,0,0]=4 19727 B13R1.511 NC(=O)COc1ccc(c(c1)N)Br 7a_100011999798_100000187820 [0,3,0,0,0,0|1,0,0]=4 19728 B13R1.511 NC(=O)COc1ccc(c(c1)N)Cl 34a_100011934297_100000187820 [0,3,0,0,0,0|1,0,0]=4 19729 B13R1.511 NC(=O)COc1ccc(c(c1)N)F 34a_100012017239_100000187820 [0,3,0,0,0,0|1,0,0]=4 19730 B13R1.511 NC(=O)COc1ccc(c(c1)N)F 7a_100012017239_100000187820 [0,3,0,0,0,0|1,0,0]=4 19731 B13R1.511 NC(=O)COc1ccc(c(c1)N)N 34a_100025771000_100000187820 [0,3,0,0,0,0|1,0,0]=4 19732 B13R1.511 Nc1cc(ccc1Br)OCC(=O)[O-] 34a_100011999798_100020667443 [0,3,0,0,0,0|1,0,0]=4 19733 B13R1.511 Nc1cc(ccc1Cl)OCC(=O)[O-] 34a_100011934297_100020667443 [0,3,0,0,0,0|1,0,0]=4 19734 B13R1.511 Nc1cc(ccc1F)OCC(=O)[O-] 34a_100012017239_100020667443 [0,3,0,0,0,0|1,0,0]=4 19735 B13R1.511 Nc1ccc(cc1Br)OCC(=O)[O-] 34a_100012001276_100020667443 [0,3,0,0,0,0|1,0,0]=4 19736 B13R1.511 Nc1ccc(cc1Cl)OCC(=O)[O-] 34a_100011215599_100020667443 [0,3,0,0,0,0|1,0,0]=4 19737 B13R1.511 Nc1ccc(cc1F)OCC(=O)[O-] 34a_100000759473_100020667443 [0,3,0,0,0,0|1,0,0]=4 19738 B13R1.511 Nc1ccc(cc1I)OCC(=O)[O-] 34a_100010084370_100020667443 [0,3,0,0,0,0|1,0,0]=4 19739 B13R1.511 Nc1ccc(cc1N)OCC(=O)[O-] 34a_100025771000_100020667443 [0,3,0,0,0,0|1,0,0]=4 19740 B13R1.511 O=C([O-])COc1ccc(c(c1)Br)Cl 34a_100011933957_100020667443 [0,3,0,0,0,0|1,0,0]=4 19741 B13R1.511 O=C([O-])COc1ccc(c(c1)Br)F 34a_100000693481_100020667443 [0,3,0,0,0,0|1,0,0]=4 19742 B13R1.511 O=C([O-])COc1ccc(c(c1)Br)I 34a_100000701344_100020667443 [0,3,0,0,0,0|1,0,0]=4 19743 B13R1.511 O=C([O-])COc1ccc(c(c1)Cl)Br 34a_100011215161_100020667443 [0,3,0,0,0,0|1,0,0]=4 19744 B13R1.511 O=C([O-])COc1ccc(c(c1)Cl)Cl 34a_100000211054_100020667443 [0,3,0,0,0,0|1,0,0]=4 19745 B13R1.511 O=C([O-])COc1ccc(c(c1)Cl)F 34a_100000211030_100020667443 [0,3,0,0,0,0|1,0,0]=4 19746 B13R1.511 O=C([O-])COc1ccc(c(c1)Cl)I 34a_100000047559_100020667443 [0,3,0,0,0,0|1,0,0]=4 19747 B13R1.511 O=C([O-])COc1ccc(c(c1)F)Br 34a_100000755031_100020667443 [0,3,0,0,0,0|1,0,0]=4 19748 B13R1.511 O=C([O-])COc1ccc(c(c1)F)Cl 34a_100000691581_100020667443 [0,3,0,0,0,0|1,0,0]=4 19749 B13R1.511 O=C([O-])COc1ccc(c(c1)F)F 34a_100000181275_100020667443 [0,3,0,0,0,0|1,0,0]=4 19750 B13R1.511 O=C([O-])COc1ccc(c(c1)F)I 34a_100009990212_100020667443 [0,3,0,0,0,0|1,0,0]=4 19751 B13R1.511 O=C([O-])COc1ccc(c(c1)I)Br 34a_100012339312_100020667443 [0,3,0,0,0,0|1,0,0]=4 19752 B13R1.511 O=C([O-])COc1ccc(c(c1)I)Cl 34a_100000049588_100020667443 [0,3,0,0,0,0|1,0,0]=4 19753 B13R1.511 [13CH3]C(=O)COc1ccc(c(c1)Cl)Cl 1458a_100000191221_200025704644 [0,3,0,0,0,0|0,0,1]=4 19754 B13R1.511 [13CH3]C(=O)COc1ccc(c(c1)Cl)F 1458a_100000191248_200025704644 [0,3,0,0,0,0|0,0,1]=4 19755 B13R1.511 [13CH3]C(=O)COc1ccc(c(c1)F)Cl 1458a_100012982646_200025704644 [0,3,0,0,0,0|0,0,1]=4 19756 B13R1.511 [13CH3]C(=O)COc1ccc(c(c1)F)F 1458a_100000246063_200025704644 [0,3,0,0,0,0|0,0,1]=4 19757 B13R1.5 C=CC(C)Sc1ccc(cc1)C#N 62a_100011215867_100000184291 [0,3,0,0,0,0|0,1,0]=4 19758 B13R1.5 C=CC(C)Sc1ccc(cc1)C=O 62a_100011215867_100000188517 [0,3,0,0,0,0|0,1,0]=4 19759 B13R1.5 C=CC(C)Sc1ccc(cc1)CC 62a_100011215867_100011215824 [0,3,0,0,0,0|0,1,0]=4 19760 B13R1.5 C=CC(C)Sc1ccc(cc1)CF 62a_100011215867_100010268989 [0,3,0,0,0,0|0,1,0]=4 19761 B13R1.5 C=CC(C)Sc1ccc(cc1)CN 62a_100011215867_100016989417 [0,3,0,0,0,0|0,1,0]=4 19762 B13R1.5 C=CC(C)Sc1ccc(cc1)CO 62a_100011215867_100000690907 [0,3,0,0,0,0|0,1,0]=4 19763 B13R1.5 C=CC(C)Sc1ccc(cc1)NC 62a_100011215867_100000743151 [0,3,0,0,0,0|0,1,0]=4 19764 B13R1.5 C=CC(C)Sc1ccc(cc1)NN 62a_100011215867_100016988836 [0,3,0,0,0,0|0,1,0]=4 19765 B13R1.5 C=CC(C)Sc1ccc(cc1)OC 62a_100011215867_100000171711 [0,3,0,0,0,0|0,1,0]=4 19766 B13R1.5 C=CC(C)Sc1ccc(cc1)SC 62a_100011215867_100011263217 [0,3,0,0,0,0|0,1,0]=4 19767 B13R1.5 C=Cc1ccc(cc1)SC(C)C=C 62a_100011215867_100000748128 [0,3,0,0,0,0|0,1,0]=4 19768 B13R1.145 Cc1ccc(cc1)OC(C=O)C=O 34a_100000210336_100000736813 [0,3,0,0,0,0|1,0,0]=4 19769 B13R1.145 Nc1ccc(cc1)OC(C=O)C=O 34a_100000185829_100000736813 [0,3,0,0,0,0|1,0,0]=4 19770 B13R1.145 O=CC(C=O)Oc1ccc(cc1)Br 34a_100000185759_100000736813 [0,3,0,0,0,0|1,0,0]=4 19771 B13R1.145 O=CC(C=O)Oc1ccc(cc1)Cl 34a_100000210216_100000736813 [0,3,0,0,0,0|1,0,0]=4 19772 B13R1.145 O=CC(C=O)Oc1ccc(cc1)F 34a_100000210339_100000736813 [0,3,0,0,0,0|1,0,0]=4 19773 B13R1.145 O=CC(C=O)Oc1ccc(cc1)I 34a_100000212066_100000736813 [0,3,0,0,0,0|1,0,0]=4 19774 B13R1.249 C=CC(F)(F)Sc1ccc(cc1)Br 62a_100000752885_100009814244 [0,3,0,0,0,0|0,1,0]=4 19775 B13R1.249 C=CC(F)(F)Sc1ccc(cc1)Br 62a_100009814244_100000752885 [0,3,0,0,0,0|0,1,0]=4 19776 B13R1.249 C=CC(F)(F)Sc1ccc(cc1)C 62a_100000186775_100009814244 [0,3,0,0,0,0|0,1,0]=4 19777 B13R1.249 C=CC(F)(F)Sc1ccc(cc1)C 62a_100009814244_100000186775 [0,3,0,0,0,0|0,1,0]=4 19778 B13R1.249 C=CC(F)(F)Sc1ccc(cc1)Cl 62a_100000755918_100009814244 [0,3,0,0,0,0|0,1,0]=4 19779 B13R1.249 C=CC(F)(F)Sc1ccc(cc1)Cl 62a_100009814244_100000755918 [0,3,0,0,0,0|0,1,0]=4 19780 B13R1.249 C=CC(F)(F)Sc1ccc(cc1)F 62a_100000211213_100009814244 [0,3,0,0,0,0|0,1,0]=4 19781 B13R1.249 C=CC(F)(F)Sc1ccc(cc1)F 62a_100009814244_100000211213 [0,3,0,0,0,0|0,1,0]=4 19782 B13R1.249 C=CC(F)(F)Sc1ccc(cc1)N 62a_100000185761_100009814244 [0,3,0,0,0,0|0,1,0]=4 19783 B13R1.249 C=CC(F)(F)Sc1ccc(cc1)N 62a_100009814244_100000185761 [0,3,0,0,0,0|0,1,0]=4 19784 B13R1.249 C=CC(F)(F)Sc1ccc(cc1)O 62a_100009814244_100000185759 [0,3,0,0,0,0|0,1,0]=4 19785 B13R1.2679 C=CC(C)Sc1ccc(cc1Br)Br 62a_100011215867_100011484698 [0,3,0,0,0,0|0,1,0]=4 19786 B13R1.2679 C=CC(C)Sc1ccc(cc1Br)C 62a_100011215867_100009813563 [0,3,0,0,0,0|0,1,0]=4 19787 B13R1.2679 C=CC(C)Sc1ccc(cc1Br)Cl 62a_100011215867_100011219703 [0,3,0,0,0,0|0,1,0]=4 19788 B13R1.2679 C=CC(C)Sc1ccc(cc1Br)F 62a_100011215867_100011217111 [0,3,0,0,0,0|0,1,0]=4 19789 B13R1.2679 C=CC(C)Sc1ccc(cc1Br)N 62a_100011215867_100000750458 [0,3,0,0,0,0|0,1,0]=4 19790 B13R1.2679 C=CC(C)Sc1ccc(cc1Br)O 62a_100011215867_100000701344 [0,3,0,0,0,0|0,1,0]=4 19791 B13R1.2679 C=CC(C)Sc1ccc(cc1C)Br 62a_100011215867_100000701812 [0,3,0,0,0,0|0,1,0]=4 19792 B13R1.2679 C=CC(C)Sc1ccc(cc1C)C 62a_100011215867_100011217332 [0,3,0,0,0,0|0,1,0]=4 19793 B13R1.2679 C=CC(C)Sc1ccc(cc1C)Cl 62a_100011215867_100011219607 [0,3,0,0,0,0|0,1,0]=4 19794 B13R1.2679 C=CC(C)Sc1ccc(cc1C)F 62a_100011215867_100011205405 [0,3,0,0,0,0|0,1,0]=4 19795 B13R1.2679 C=CC(C)Sc1ccc(cc1C)N 62a_100011215867_100000210723 [0,3,0,0,0,0|0,1,0]=4 19796 B13R1.2679 C=CC(C)Sc1ccc(cc1C)O 62a_100011215867_100000690111 [0,3,0,0,0,0|0,1,0]=4 19797 B13R1.2679 C=CC(C)Sc1ccc(cc1Cl)Br 62a_100011215867_100011216062 [0,3,0,0,0,0|0,1,0]=4 19798 B13R1.2679 C=CC(C)Sc1ccc(cc1Cl)C 62a_100011215867_100011263221 [0,3,0,0,0,0|0,1,0]=4 19799 B13R1.2679 C=CC(C)Sc1ccc(cc1Cl)Cl 62a_100011215867_100000699841 [0,3,0,0,0,0|0,1,0]=4 19800 B13R1.2679 C=CC(C)Sc1ccc(cc1Cl)F 62a_100011215867_100000733362 [0,3,0,0,0,0|0,1,0]=4 19801 B13R1.2679 C=CC(C)Sc1ccc(cc1Cl)N 62a_100011215867_100000761885 [0,3,0,0,0,0|0,1,0]=4 19802 B13R1.2679 C=CC(C)Sc1ccc(cc1Cl)O 62a_100011215867_100000047559 [0,3,0,0,0,0|0,1,0]=4 19803 B13R1.2679 C=CC(C)Sc1ccc(cc1F)Br 62a_100011215867_100009814013 [0,3,0,0,0,0|0,1,0]=4 19804 B13R1.2679 C=CC(C)Sc1ccc(cc1F)C 62a_100011215867_100011216119 [0,3,0,0,0,0|0,1,0]=4 19805 B13R1.2679 C=CC(C)Sc1ccc(cc1F)Cl 62a_100011215867_100011216042 [0,3,0,0,0,0|0,1,0]=4 19806 B13R1.2679 C=CC(C)Sc1ccc(cc1F)F 62a_100011215867_100000750030 [0,3,0,0,0,0|0,1,0]=4 19807 B13R1.2679 C=CC(C)Sc1ccc(cc1F)N 62a_100011215867_100011356925 [0,3,0,0,0,0|0,1,0]=4 19808 B13R1.2679 C=CC(C)Sc1ccc(cc1F)O 62a_100011215867_100000755031 [0,3,0,0,0,0|0,1,0]=4 19809 B13R1.2679 C=CC(C)Sc1ccc(cc1N)Br 62a_100011215867_100000743836 [0,3,0,0,0,0|0,1,0]=4 19810 B13R1.2679 C=CC(C)Sc1ccc(cc1N)C 62a_100011215867_100011216686 [0,3,0,0,0,0|0,1,0]=4 19811 B13R1.2679 C=CC(C)Sc1ccc(cc1N)Cl 62a_100011215867_100000761886 [0,3,0,0,0,0|0,1,0]=4 19812 B13R1.2679 C=CC(C)Sc1ccc(cc1N)F 62a_100011215867_100000687223 [0,3,0,0,0,0|0,1,0]=4 19813 B13R1.2679 C=CC(C)Sc1ccc(cc1N)N 62a_100011215867_200012175722 [0,3,0,0,0,0|0,1,0]=4 19814 B13R1.2679 C=CC(C)Sc1ccc(cc1N)O 62a_100011215867_100011999798 [0,3,0,0,0,0|0,1,0]=4 19815 B13R1.2679 C=CC(C)Sc1ccc(cc1O)Br 62a_100011215867_100012344904 [0,3,0,0,0,0|0,1,0]=4 19816 B13R1.2679 C=CC(C)Sc1ccc(cc1O)C 62a_100011215867_100012002257 [0,3,0,0,0,0|0,1,0]=4 19817 B13R1.2679 C=CC(C)Sc1ccc(cc1O)Cl 62a_100011215867_100000050036 [0,3,0,0,0,0|0,1,0]=4 19818 B13R1.2679 C=CC(C)Sc1ccc(cc1O)F 62a_100011215867_100000690578 [0,3,0,0,0,0|0,1,0]=4 19819 B13R1.2679 C=CC(C)Sc1ccc(cc1O)O 62a_100011215867_100009813921 [0,3,0,0,0,0|0,1,0]=4 19820 B13R1.2879 C=CC(C)Sc1ccc(c(c1)Br)Br 62a_100011215867_100012356285 [0,3,0,0,0,0|0,1,0]=4 19821 B13R1.2879 C=CC(C)Sc1ccc(c(c1)Br)C 62a_100011215867_100011847877 [0,3,0,0,0,0|0,1,0]=4 19822 B13R1.2879 C=CC(C)Sc1ccc(c(c1)Br)Cl 62a_100011215867_100012353702 [0,3,0,0,0,0|0,1,0]=4 19823 B13R1.2879 C=CC(C)Sc1ccc(c(c1)Br)F 62a_100011215867_100012047266 [0,3,0,0,0,0|0,1,0]=4 19824 B13R1.2879 C=CC(C)Sc1ccc(c(c1)Br)N 62a_100011215867_100000750455 [0,3,0,0,0,0|0,1,0]=4 19825 B13R1.2879 C=CC(C)Sc1ccc(c(c1)Br)O 62a_100011215867_100012361655 [0,3,0,0,0,0|0,1,0]=4 19826 B13R1.2879 C=CC(C)Sc1ccc(c(c1)C)Br 62a_100011215867_100009813585 [0,3,0,0,0,0|0,1,0]=4 19827 B13R1.2879 C=CC(C)Sc1ccc(c(c1)C)C 62a_100011215867_100011215607 [0,3,0,0,0,0|0,1,0]=4 19828 B13R1.2879 C=CC(C)Sc1ccc(c(c1)C)Cl 62a_100011215867_100000049509 [0,3,0,0,0,0|0,1,0]=4 19829 B13R1.2879 C=CC(C)Sc1ccc(c(c1)C)F 62a_100011215867_100011218330 [0,3,0,0,0,0|0,1,0]=4 19830 B13R1.2879 C=CC(C)Sc1ccc(c(c1)C)N 62a_100011215867_100000211769 [0,3,0,0,0,0|0,1,0]=4 19831 B13R1.2879 C=CC(C)Sc1ccc(c(c1)C)O 62a_100011215867_100000186361 [0,3,0,0,0,0|0,1,0]=4 19832 B13R1.2879 C=CC(C)Sc1ccc(c(c1)Cl)Br 62a_100011215867_100012047281 [0,3,0,0,0,0|0,1,0]=4 19833 B13R1.2879 C=CC(C)Sc1ccc(c(c1)Cl)C 62a_100011215867_100011216363 [0,3,0,0,0,0|0,1,0]=4 19834 B13R1.2879 C=CC(C)Sc1ccc(c(c1)Cl)Cl 62a_100011215867_100011214914 [0,3,0,0,0,0|0,1,0]=4 19835 B13R1.2879 C=CC(C)Sc1ccc(c(c1)Cl)F 62a_100011215867_100011215976 [0,3,0,0,0,0|0,1,0]=4 19836 B13R1.2879 C=CC(C)Sc1ccc(c(c1)Cl)N 62a_100011215867_100011218065 [0,3,0,0,0,0|0,1,0]=4 19837 B13R1.2879 C=CC(C)Sc1ccc(c(c1)Cl)O 62a_100011215867_100012360047 [0,3,0,0,0,0|0,1,0]=4 19838 B13R1.2879 C=CC(C)Sc1ccc(c(c1)F)Br 62a_100011215867_100000685389 [0,3,0,0,0,0|0,1,0]=4 19839 B13R1.2879 C=CC(C)Sc1ccc(c(c1)F)C 62a_100011215867_100000720648 [0,3,0,0,0,0|0,1,0]=4 19840 B13R1.2879 C=CC(C)Sc1ccc(c(c1)F)Cl 62a_100011215867_100011216805 [0,3,0,0,0,0|0,1,0]=4 19841 B13R1.2879 C=CC(C)Sc1ccc(c(c1)F)F 62a_100011215867_100000703953 [0,3,0,0,0,0|0,1,0]=4 19842 B13R1.2879 C=CC(C)Sc1ccc(c(c1)F)N 62a_100011215867_100011215594 [0,3,0,0,0,0|0,1,0]=4 19843 B13R1.2879 C=CC(C)Sc1ccc(c(c1)F)O 62a_100011215867_100000185481 [0,3,0,0,0,0|0,1,0]=4 19844 B13R1.2879 C=CC(C)Sc1ccc(c(c1)N)Br 62a_100011215867_100000750456 [0,3,0,0,0,0|0,1,0]=4 19845 B13R1.2879 C=CC(C)Sc1ccc(c(c1)N)C 62a_100011215867_100000761890 [0,3,0,0,0,0|0,1,0]=4 19846 B13R1.2879 C=CC(C)Sc1ccc(c(c1)N)Cl 62a_100011215867_200000761891 [0,3,0,0,0,0|0,1,0]=4 19847 B13R1.2879 C=CC(C)Sc1ccc(c(c1)N)F 62a_100011215867_100000740924 [0,3,0,0,0,0|0,1,0]=4 19848 B13R1.2879 C=CC(C)Sc1ccc(c(c1)N)N 62a_100011215867_100011534411 [0,3,0,0,0,0|0,1,0]=4 19849 B13R1.2879 C=CC(C)Sc1ccc(c(c1)N)O 62a_100011215867_100000752626 [0,3,0,0,0,0|0,1,0]=4 19850 B13R1.2879 C=CC(C)Sc1ccc(c(c1)O)Br 62a_100011215867_100012356990 [0,3,0,0,0,0|0,1,0]=4 19851 B13R1.2879 C=CC(C)Sc1ccc(c(c1)O)C 62a_100011215867_100000685420 [0,3,0,0,0,0|0,1,0]=4 19852 B13R1.2879 C=CC(C)Sc1ccc(c(c1)O)Cl 62a_100011215867_100011356854 [0,3,0,0,0,0|0,1,0]=4 19853 B13R1.2879 C=CC(C)Sc1ccc(c(c1)O)F 62a_100011215867_100000686035 [0,3,0,0,0,0|0,1,0]=4 19854 B13R1.2879 C=CC(C)Sc1ccc(c(c1)O)N 62a_100011215867_100000739049 [0,3,0,0,0,0|0,1,0]=4 19855 B13R1.2879 C=CC(C)Sc1ccc(c(c1)O)O 62a_100011215867_100009813601 [0,3,0,0,0,0|0,1,0]=4 19856 B13R1.73 C#Cc1cc(ccc1NCC=C)C 34a_200012001881_100015514636 [0,3,0,0,0,0|1,0,0]=4 19857 B13R1.73 C=CCNc1ccc(cc1C#N)Br 27a_100020586998_100011219714 [0,3,0,0,0,0|1,0,0]=4 19858 B13R1.73 C=CCNc1ccc(cc1C#N)Br 7a_100000688460_100015514636 [0,3,0,0,0,0|1,0,0]=4 19859 B13R1.73 C=CCNc1ccc(cc1C#N)C 7a_100011934023_100015514636 [0,3,0,0,0,0|1,0,0]=4 19860 B13R1.73 C=CCNc1ccc(cc1C#N)Cl 7a_100011219925_100015514636 [0,3,0,0,0,0|1,0,0]=4 19861 B13R1.73 C=CCNc1ccc(cc1C#N)F 34a_100000685569_100015514636 [0,3,0,0,0,0|1,0,0]=4 19862 B13R1.73 C=CCNc1ccc(cc1C#N)F 7a_100000685569_100015514636 [0,3,0,0,0,0|1,0,0]=4 19863 B13R1.73 C=CCNc1ccc(cc1C#N)I 7a_100000049818_100015514636 [0,3,0,0,0,0|1,0,0]=4 19864 B13R1.73 C=CCNc1ccc(cc1CC)Br 2230a_100000686106_100000210623 [0,3,0,0,0,0|1,0,0]=4 19865 B13R1.73 C=CCNc1ccc(cc1CC)Br 34a_100000686106_100015514636 [0,3,0,0,0,0|1,0,0]=4 19866 B13R1.73 C=CCNc1ccc(cc1CC)Br 7a_100000686106_100015514636 [0,3,0,0,0,0|1,0,0]=4 19867 B13R1.73 C=CCNc1ccc(cc1CC)Cl 2230a_100012017146_100000210623 [0,3,0,0,0,0|1,0,0]=4 19868 B13R1.73 C=CCNc1ccc(cc1CC)Cl 34a_100012017146_100015514636 [0,3,0,0,0,0|1,0,0]=4 19869 B13R1.73 C=CCNc1ccc(cc1CC)Cl 7a_100012017146_100015514636 [0,3,0,0,0,0|1,0,0]=4 19870 B13R1.73 C=CCNc1ccc(cc1CC)I 2230a_100000014069_100000210623 [0,3,0,0,0,0|1,0,0]=4 19871 B13R1.73 C=CCNc1ccc(cc1CC)I 34a_100000014069_100015514636 [0,3,0,0,0,0|1,0,0]=4 19872 B13R1.73 C=CCNc1ccc(cc1CC)I 7a_100000014069_100015514636 [0,3,0,0,0,0|1,0,0]=4 19873 B13R1.73 C=CCNc1ccc(cc1CO)Br 34a_100012353972_100015514636 [0,3,0,0,0,0|1,0,0]=4 19874 B13R1.73 C=CCNc1ccc(cc1CO)C 34a_100011215565_100015514636 [0,3,0,0,0,0|1,0,0]=4 19875 B13R1.73 C=CCNc1ccc(cc1CO)Cl 34a_100011214999_100015514636 [0,3,0,0,0,0|1,0,0]=4 19876 B13R1.73 C=CCNc1ccc(cc1CO)F 34a_100011296978_100015514636 [0,3,0,0,0,0|1,0,0]=4 19877 B13R1.73 C=CCNc1ccc(cc1OC)Br 34a_100011279103_100015514636 [0,3,0,0,0,0|1,0,0]=4 19878 B13R1.73 C=CCNc1ccc(cc1OC)C 2230a_100000746441_100000210623 [0,3,0,0,0,0|1,0,0]=4 19879 B13R1.73 C=CCNc1ccc(cc1OC)C 34a_100000746441_100015514636 [0,3,0,0,0,0|1,0,0]=4 19880 B13R1.73 C=CCNc1ccc(cc1OC)Cl 34a_100000707585_100015514636 [0,3,0,0,0,0|1,0,0]=4 19881 B13R1.73 C=CCNc1ccc(cc1OC)F 34a_100000737216_100015514636 [0,3,0,0,0,0|1,0,0]=4 19882 B13R1.73 C=CCNc1ccc(cc1OC)I 34a_100015196925_100015514636 [0,3,0,0,0,0|1,0,0]=4 19883 B13R1.73 C=CCNc1ccc(cc1OC)O 34a_100015326901_100015514636 [0,3,0,0,0,0|1,0,0]=4 19884 B13R1.73 C=CCOc1ccc(cc1C#N)Br 34a_100000687585_100015514636 [0,3,0,0,0,0|0,0,0]=3 19885 B13R1.73 C=CCOc1ccc(cc1C#N)Br 7a_100000687585_100015514636 [0,3,0,0,0,0|0,0,0]=3 19886 B13R1.73 C=CCOc1ccc(cc1C#N)C 34a_200012180384_100015514636 [0,3,0,0,0,0|0,0,0]=3 19887 B13R1.73 C=CCOc1ccc(cc1C#N)C 7a_200012180384_100015514636 [0,3,0,0,0,0|0,0,0]=3 19888 B13R1.73 C=CCOc1ccc(cc1C#N)Cl 34a_100011219380_100015514636 [0,3,0,0,0,0|0,0,0]=3 19889 B13R1.73 C=CCOc1ccc(cc1C#N)Cl 7a_100011219380_100015514636 [0,3,0,0,0,0|0,0,0]=3 19890 B13R1.73 C=CCOc1ccc(cc1C#N)F 34a_100011900173_100015514636 [0,3,0,0,0,0|0,0,0]=3 19891 B13R1.73 C=CCOc1ccc(cc1C#N)F 7a_100011900173_100015514636 [0,3,0,0,0,0|0,0,0]=3 19892 B13R1.73 C=CCOc1ccc(cc1C#N)I 34a_200000049958_100015514636 [0,3,0,0,0,0|0,0,0]=3 19893 B13R1.73 C=CCOc1ccc(cc1C#N)I 7a_200000049958_100015514636 [0,3,0,0,0,0|0,0,0]=3 19894 B13R1.73 C=CCOc1ccc(cc1C#N)N 34a_100011249283_100015514636 [0,3,0,0,0,0|0,0,0]=3 19895 B13R1.73 C=CCOc1ccc(cc1C#N)N 7a_100011249283_100015514636 [0,3,0,0,0,0|0,0,0]=3 19896 B13R1.73 C=CCOc1ccc(cc1CBr)F 34a_100010161318_100015514636 [0,3,0,0,0,0|0,0,0]=3 19897 B13R1.73 C=CCOc1ccc(cc1CBr)F 7a_100010161318_100015514636 [0,3,0,0,0,0|0,0,0]=3 19898 B13R1.73 C=CCOc1ccc(cc1CC)Br 34a_100012338938_100015514636 [0,3,0,0,0,0|0,0,0]=3 19899 B13R1.73 C=CCOc1ccc(cc1CC)Br 7a_100012338938_100015514636 [0,3,0,0,0,0|0,0,0]=3 19900 B13R1.73 C=CCOc1ccc(cc1CC)C 34a_100009844793_100015514636 [0,3,0,0,0,0|0,0,0]=3 19901 B13R1.73 C=CCOc1ccc(cc1CC)C 7a_100009844793_100015514636 [0,3,0,0,0,0|0,0,0]=3 19902 B13R1.73 C=CCOc1ccc(cc1CC)F 34a_200000035566_100015514636 [0,3,0,0,0,0|0,0,0]=3 19903 B13R1.73 C=CCOc1ccc(cc1CC)F 7a_200000035566_100015514636 [0,3,0,0,0,0|0,0,0]=3 19904 B13R1.73 C=CCOc1ccc(cc1CN)Br 34a_100000730032_100015514636 [0,3,0,0,0,0|0,0,0]=3 19905 B13R1.73 C=CCOc1ccc(cc1CN)Cl 34a_100000238540_100015514636 [0,3,0,0,0,0|0,0,0]=3 19906 B13R1.73 C=CCOc1ccc(cc1CO)Br 34a_100000184703_100015514636 [0,3,0,0,0,0|0,0,0]=3 19907 B13R1.73 C=CCOc1ccc(cc1CO)Br 7a_100000184703_100015514636 [0,3,0,0,0,0|0,0,0]=3 19908 B13R1.73 C=CCOc1ccc(cc1CO)C 34a_200011846009_100015514636 [0,3,0,0,0,0|0,0,0]=3 19909 B13R1.73 C=CCOc1ccc(cc1CO)C 7a_200011846009_100015514636 [0,3,0,0,0,0|0,0,0]=3 19910 B13R1.73 C=CCOc1ccc(cc1CO)Cl 34a_100011218961_100015514636 [0,3,0,0,0,0|0,0,0]=3 19911 B13R1.73 C=CCOc1ccc(cc1CO)Cl 7a_100011218961_100015514636 [0,3,0,0,0,0|0,0,0]=3 19912 B13R1.73 C=CCOc1ccc(cc1CO)F 34a_100011291448_100015514636 [0,3,0,0,0,0|0,0,0]=3 19913 B13R1.73 C=CCOc1ccc(cc1CO)F 7a_100011291448_100015514636 [0,3,0,0,0,0|0,0,0]=3 19914 B13R1.73 C=CCOc1ccc(cc1CO)I 34a_100000049520_100015514636 [0,3,0,0,0,0|0,0,0]=3 19915 B13R1.73 C=CCOc1ccc(cc1CO)I 7a_100000049520_100015514636 [0,3,0,0,0,0|0,0,0]=3 19916 B13R1.73 C=CCOc1ccc(cc1OC)Br 34a_100000694246_100015514636 [0,3,0,0,0,0|0,0,0]=3 19917 B13R1.73 C=CCOc1ccc(cc1OC)Br 7a_100000694246_100015514636 [0,3,0,0,0,0|0,0,0]=3 19918 B13R1.73 C=CCOc1ccc(cc1OC)C 34a_100000186466_100015514636 [0,3,0,0,0,0|0,0,0]=3 19919 B13R1.73 C=CCOc1ccc(cc1OC)Cl 34a_100000033002_100015514636 [0,3,0,0,0,0|0,0,0]=3 19920 B13R1.73 C=CCOc1ccc(cc1OC)F 34a_100000036057_100015514636 [0,3,0,0,0,0|0,0,0]=3 19921 B13R1.73 C=CCOc1ccc(cc1OC)F 7a_100000036057_100015514636 [0,3,0,0,0,0|0,0,0]=3 19922 B13R1.73 C=CCOc1ccc(cc1OC)I 34a_100000049635_100015514636 [0,3,0,0,0,0|0,0,0]=3 19923 B13R1.73 C=CCOc1ccc(cc1OC)N 34a_100000726020_100015514636 [0,3,0,0,0,0|0,0,0]=3 19924 B13R1.73 C=CCOc1ccc(nc1CC)C 34a_100000718140_100015514636 [0,3,0,0,0,0|1,0,0]=4 19925 B13R1.73 C=CCOc1ccc(nc1CC)C 7a_100000718140_100015514636 [0,3,0,0,0,0|1,0,0]=4 19926 B13R1.73 C=CCOc1ccc(nc1CCl)C 34a_100020630696_100015514636 [0,3,0,0,0,0|1,0,0]=4 19927 B13R1.73 C=CCOc1ccc(nc1CCl)C 7a_100020630696_100015514636 [0,3,0,0,0,0|1,0,0]=4 19928 B13R1.73 C=CCOc1ccc(nc1CO)C 34a_100000751967_100015514636 [0,3,0,0,0,0|1,0,0]=4 19929 B13R1.73 C=CCOc1ccc(nc1OC)Br 34a_100010893133_100015514636 [0,3,0,0,0,0|1,0,0]=4 19930 B13R1.73 C=CCOc1ncc(cc1OC)Cl 34a_200009845368_100015514636 [0,3,0,0,0,0|1,0,0]=4 19931 B13R1.73 C=CCSc1ccc(cc1C#N)Br 62a_100000210623_100011219714 [0,3,0,0,0,0|0,1,0]=4 19932 B13R1.73 C=CCSc1ccc(cc1C#N)C 62a_100000210623_100011935190 [0,3,0,0,0,0|0,1,0]=4 19933 B13R1.73 C=CCSc1ccc(cc1C#N)Cl 62a_100000210623_200011356825 [0,3,0,0,0,0|0,1,0]=4 19934 B13R1.73 C=CCSc1ccc(cc1C#N)F 62a_100000210623_100000747550 [0,3,0,0,0,0|0,1,0]=4 19935 B13R1.73 C=CCSc1ccc(cc1C#N)N 62a_100000210623_100011934039 [0,3,0,0,0,0|0,1,0]=4 19936 B13R1.73 C=CCSc1ccc(cc1C#N)O 62a_100000210623_100009818209 [0,3,0,0,0,0|0,1,0]=4 19937 B13R1.73 C=CCSc1ccc(cc1C=C)F 62a_100000210623_100012356183 [0,3,0,0,0,0|0,1,0]=4 19938 B13R1.73 C=CCSc1ccc(cc1C=C)F 62a_100012356183_100000210623 [0,3,0,0,0,0|0,1,0]=4 19939 B13R1.73 C=CCSc1ccc(cc1C=O)Br 62a_100000210623_100010185651 [0,3,0,0,0,0|0,1,0]=4 19940 B13R1.73 C=CCSc1ccc(cc1C=O)Br 62a_100010185651_100000210623 [0,3,0,0,0,0|0,1,0]=4 19941 B13R1.73 C=CCSc1ccc(cc1C=O)C 62a_100000210623_100011551863 [0,3,0,0,0,0|0,1,0]=4 19942 B13R1.73 C=CCSc1ccc(cc1C=O)C 62a_100011551863_100000210623 [0,3,0,0,0,0|0,1,0]=4 19943 B13R1.73 C=CCSc1ccc(cc1C=O)Cl 62a_100000210623_100010254386 [0,3,0,0,0,0|0,1,0]=4 19944 B13R1.73 C=CCSc1ccc(cc1C=O)Cl 62a_100010254386_100000210623 [0,3,0,0,0,0|0,1,0]=4 19945 B13R1.73 C=CCSc1ccc(cc1C=O)F 62a_100000210623_100011218309 [0,3,0,0,0,0|0,1,0]=4 19946 B13R1.73 C=CCSc1ccc(cc1C=O)F 62a_100011218309_100000210623 [0,3,0,0,0,0|0,1,0]=4 19947 B13R1.73 C=CCSc1ccc(cc1C=O)O 62a_100000210623_100000690577 [0,3,0,0,0,0|0,1,0]=4 19948 B13R1.73 C=CCSc1ccc(cc1C=O)O 62a_100000690577_100000210623 [0,3,0,0,0,0|0,1,0]=4 19949 B13R1.73 C=CCSc1ccc(cc1CC)Br 62a_100000210623_100011216195 [0,3,0,0,0,0|0,1,0]=4 19950 B13R1.73 C=CCSc1ccc(cc1CC)Br 62a_100011216195_100000210623 [0,3,0,0,0,0|0,1,0]=4 19951 B13R1.73 C=CCSc1ccc(cc1CC)N 62a_100000210623_100010109747 [0,3,0,0,0,0|0,1,0]=4 19952 B13R1.73 C=CCSc1ccc(cc1CC)N 62a_100010109747_100000210623 [0,3,0,0,0,0|0,1,0]=4 19953 B13R1.73 C=CCSc1ccc(cc1CN)F 62a_100000210623_100000742738 [0,3,0,0,0,0|0,1,0]=4 19954 B13R1.73 C=CCSc1ccc(cc1CN)F 62a_100000742738_100000210623 [0,3,0,0,0,0|0,1,0]=4 19955 B13R1.73 C=CCSc1ccc(cc1CO)Br 62a_100000210623_100011356890 [0,3,0,0,0,0|0,1,0]=4 19956 B13R1.73 C=CCSc1ccc(cc1CO)Br 62a_100011356890_100000210623 [0,3,0,0,0,0|0,1,0]=4 19957 B13R1.73 C=CCSc1ccc(cc1CO)C 62a_100000210623_100012361352 [0,3,0,0,0,0|0,1,0]=4 19958 B13R1.73 C=CCSc1ccc(cc1CO)C 62a_100012361352_100000210623 [0,3,0,0,0,0|0,1,0]=4 19959 B13R1.73 C=CCSc1ccc(cc1CO)F 62a_100000210623_100011217561 [0,3,0,0,0,0|0,1,0]=4 19960 B13R1.73 C=CCSc1ccc(cc1CO)F 62a_100011217561_100000210623 [0,3,0,0,0,0|0,1,0]=4 19961 B13R1.73 C=CCSc1ccc(cc1CO)N 62a_100000210623_100012347228 [0,3,0,0,0,0|0,1,0]=4 19962 B13R1.73 C=CCSc1ccc(cc1CO)N 62a_100012347228_100000210623 [0,3,0,0,0,0|0,1,0]=4 19963 B13R1.73 C=CCSc1ccc(cc1CO)O 62a_100000210623_100012351483 [0,3,0,0,0,0|0,1,0]=4 19964 B13R1.73 C=CCSc1ccc(cc1CO)O 62a_100012351483_100000210623 [0,3,0,0,0,0|0,1,0]=4 19965 B13R1.73 C=CCSc1ccc(cc1NC)F 62a_100000210623_100020633008 [0,3,0,0,0,0|0,1,0]=4 19966 B13R1.73 C=CCSc1ccc(cc1NC)F 62a_100020633008_100000210623 [0,3,0,0,0,0|0,1,0]=4 19967 B13R1.73 C=CCSc1ccc(cc1NN)F 62a_100000210623_100012362518 [0,3,0,0,0,0|0,1,0]=4 19968 B13R1.73 C=CCSc1ccc(cc1NN)F 62a_100012362518_100000210623 [0,3,0,0,0,0|0,1,0]=4 19969 B13R1.73 C=CCSc1ccc(cc1OC)Br 62a_100000210623_100010245111 [0,3,0,0,0,0|0,1,0]=4 19970 B13R1.73 C=CCSc1ccc(cc1OC)Br 62a_100010245111_100000210623 [0,3,0,0,0,0|0,1,0]=4 19971 B13R1.73 C=CCSc1ccc(cc1OC)C 62a_100000210623_100010200004 [0,3,0,0,0,0|0,1,0]=4 19972 B13R1.73 C=CCSc1ccc(cc1OC)C 62a_100010200004_100000210623 [0,3,0,0,0,0|0,1,0]=4 19973 B13R1.73 C=CCSc1ccc(cc1OC)Cl 62a_100000050115_100000210623 [0,3,0,0,0,0|0,1,0]=4 19974 B13R1.73 C=CCSc1ccc(cc1OC)Cl 62a_100000210623_100000050115 [0,3,0,0,0,0|0,1,0]=4 19975 B13R1.73 C=CCSc1ccc(cc1OC)F 62a_100000210623_100000757151 [0,3,0,0,0,0|0,1,0]=4 19976 B13R1.73 C=CCSc1ccc(cc1OC)F 62a_100000757151_100000210623 [0,3,0,0,0,0|0,1,0]=4 19977 B13R1.73 C=CCSc1ccc(cc1OC)N 62a_100000210623_100000765947 [0,3,0,0,0,0|0,1,0]=4 19978 B13R1.73 C=CCSc1ccc(cc1OC)N 62a_100000765947_100000210623 [0,3,0,0,0,0|0,1,0]=4 19979 B13R1.73 C=CCSc1ccc(cc1OC)O 62a_100000210623_100011827694 [0,3,0,0,0,0|0,1,0]=4 19980 B13R1.73 C=CCSc1ccc(cc1SC)C 62a_100000210623_200010709736 [0,3,0,0,0,0|0,1,0]=4 19981 B13R1.73 C=CCSc1ccc(cc1SC)C 62a_200010709736_100000210623 [0,3,0,0,0,0|0,1,0]=4 19982 B13R1.73 CCc1cc(ccc1OCC=O)Br 34a_100012338938_200009817547 [0,3,0,0,0,0|1,0,0]=4 19983 B13R1.73 CCc1cc(ccc1OCC=O)Br 7a_100012338938_200015260668 [0,3,0,0,0,0|1,0,0]=4 19984 B13R1.73 CCc1cc(ccc1OCC=O)C 34a_100009844793_200009817547 [0,3,0,0,0,0|1,0,0]=4 19985 B13R1.73 CCc1cc(ccc1OCC=O)C 7a_100009844793_200015260668 [0,3,0,0,0,0|1,0,0]=4 19986 B13R1.73 CCc1cc(ccc1OCC=O)F 34a_200000035566_200009817547 [0,3,0,0,0,0|1,0,0]=4 19987 B13R1.73 CCc1cc(ccc1OCC=O)F 7a_200000035566_200015260668 [0,3,0,0,0,0|1,0,0]=4 19988 B13R1.73 COc1cc(ccc1OCC=O)Br 34a_100000694246_200009817547 [0,3,0,0,0,0|1,0,0]=4 19989 B13R1.73 COc1cc(ccc1OCC=O)Br 7a_100000694246_200015260668 [0,3,0,0,0,0|1,0,0]=4 19990 B13R1.73 COc1cc(ccc1OCC=O)C 34a_100000186466_200009817547 [0,3,0,0,0,0|1,0,0]=4 19991 B13R1.73 COc1cc(ccc1OCC=O)Cl 34a_100000033002_200009817547 [0,3,0,0,0,0|1,0,0]=4 19992 B13R1.73 COc1cc(ccc1OCC=O)F 34a_100000036057_200009817547 [0,3,0,0,0,0|1,0,0]=4 19993 B13R1.73 COc1cc(ccc1OCC=O)F 7a_100000036057_200015260668 [0,3,0,0,0,0|1,0,0]=4 19994 B13R1.73 COc1cc(ccc1OCC=O)I 34a_100000049635_200009817547 [0,3,0,0,0,0|1,0,0]=4 19995 B13R1.73 COc1cc(ccc1OCC=O)N 34a_100000726020_200009817547 [0,3,0,0,0,0|1,0,0]=4 19996 B13R1.73 Cc1ccc(c(c1)C#N)OCC=O 34a_200012180384_200009817547 [0,3,0,0,0,0|1,0,0]=4 19997 B13R1.73 Cc1ccc(c(c1)C#N)OCC=O 7a_200012180384_200015260668 [0,3,0,0,0,0|1,0,0]=4 19998 B13R1.73 Cc1ccc(c(c1)CO)OCC=O 34a_200011846009_200009817547 [0,3,0,0,0,0|1,0,0]=4 19999 B13R1.73 Cc1ccc(c(c1)CO)OCC=O 7a_200011846009_200015260668 [0,3,0,0,0,0|1,0,0]=4 20000 B13R1.73 N#Cc1cc(ccc1OCC=O)Br 34a_100000687585_200009817547 [0,3,0,0,0,0|1,0,0]=4 20001 B13R1.73 N#Cc1cc(ccc1OCC=O)Br 7a_100000687585_200015260668 [0,3,0,0,0,0|1,0,0]=4 20002 B13R1.73 N#Cc1cc(ccc1OCC=O)Cl 34a_100011219380_200009817547 [0,3,0,0,0,0|1,0,0]=4 20003 B13R1.73 N#Cc1cc(ccc1OCC=O)Cl 7a_100011219380_200015260668 [0,3,0,0,0,0|1,0,0]=4 20004 B13R1.73 N#Cc1cc(ccc1OCC=O)F 34a_100011900173_200009817547 [0,3,0,0,0,0|1,0,0]=4 20005 B13R1.73 N#Cc1cc(ccc1OCC=O)F 7a_100011900173_200015260668 [0,3,0,0,0,0|1,0,0]=4 20006 B13R1.73 N#Cc1cc(ccc1OCC=O)I 34a_200000049958_200009817547 [0,3,0,0,0,0|1,0,0]=4 20007 B13R1.73 N#Cc1cc(ccc1OCC=O)I 7a_200000049958_200015260668 [0,3,0,0,0,0|1,0,0]=4 20008 B13R1.73 N#Cc1cc(ccc1OCC=O)N 34a_100011249283_200009817547 [0,3,0,0,0,0|1,0,0]=4 20009 B13R1.73 N#Cc1cc(ccc1OCC=O)N 7a_100011249283_200015260668 [0,3,0,0,0,0|1,0,0]=4 20010 B13R1.73 NCc1cc(ccc1OCC=O)Br 34a_100000730032_200009817547 [0,3,0,0,0,0|1,0,0]=4 20011 B13R1.73 NCc1cc(ccc1OCC=O)Cl 34a_100000238540_200009817547 [0,3,0,0,0,0|1,0,0]=4 20012 B13R1.73 O=CCOc1ccc(cc1CBr)F 34a_100010161318_200009817547 [0,3,0,0,0,0|1,0,0]=4 20013 B13R1.73 O=CCOc1ccc(cc1CBr)F 7a_100010161318_200015260668 [0,3,0,0,0,0|1,0,0]=4 20014 B13R1.73 O=CCOc1ccc(cc1CO)Br 34a_100000184703_200009817547 [0,3,0,0,0,0|1,0,0]=4 20015 B13R1.73 O=CCOc1ccc(cc1CO)Br 7a_100000184703_200015260668 [0,3,0,0,0,0|1,0,0]=4 20016 B13R1.73 O=CCOc1ccc(cc1CO)Cl 34a_100011218961_200009817547 [0,3,0,0,0,0|1,0,0]=4 20017 B13R1.73 O=CCOc1ccc(cc1CO)Cl 7a_100011218961_200015260668 [0,3,0,0,0,0|1,0,0]=4 20018 B13R1.73 O=CCOc1ccc(cc1CO)F 34a_100011291448_200009817547 [0,3,0,0,0,0|1,0,0]=4 20019 B13R1.73 O=CCOc1ccc(cc1CO)F 7a_100011291448_200015260668 [0,3,0,0,0,0|1,0,0]=4 20020 B13R1.73 O=CCOc1ccc(cc1CO)I 34a_100000049520_200009817547 [0,3,0,0,0,0|1,0,0]=4 20021 B13R1.73 O=CCOc1ccc(cc1CO)I 7a_100000049520_200015260668 [0,3,0,0,0,0|1,0,0]=4 20022 B13R1.75 C=CCNc1ccc(cc1Br)C#N 34a_100000736769_100015514636 [0,3,0,0,0,0|1,0,0]=4 20023 B13R1.75 C=CCNc1ccc(cc1Br)C#N 7a_100000736769_100015514636 [0,3,0,0,0,0|1,0,0]=4 20024 B13R1.75 C=CCNc1ccc(cc1Br)CC 2230a_100012339725_100000210623 [0,3,0,0,0,0|1,0,0]=4 20025 B13R1.75 C=CCNc1ccc(cc1Br)CC 34a_100012339725_100015514636 [0,3,0,0,0,0|1,0,0]=4 20026 B13R1.75 C=CCNc1ccc(cc1Br)OC 34a_100015195136_100015514636 [0,3,0,0,0,0|1,0,0]=4 20027 B13R1.75 C=CCNc1ccc(cc1C)C#N 34a_100011216260_100015514636 [0,3,0,0,0,0|1,0,0]=4 20028 B13R1.75 C=CCNc1ccc(cc1C)C#N 7a_100011216260_100015514636 [0,3,0,0,0,0|1,0,0]=4 20029 B13R1.75 C=CCNc1ccc(cc1C)CC 2230a_100011226020_100000210623 [0,3,0,0,0,0|1,0,0]=4 20030 B13R1.75 C=CCNc1ccc(cc1C)CC 34a_100011226020_100015514636 [0,3,0,0,0,0|1,0,0]=4 20031 B13R1.75 C=CCNc1ccc(cc1C)CC 7a_100011226020_100015514636 [0,3,0,0,0,0|1,0,0]=4 20032 B13R1.75 C=CCNc1ccc(cc1C)CO 2230a_200011997030_100000210623 [0,3,0,0,0,0|1,0,0]=4 20033 B13R1.75 C=CCNc1ccc(cc1C)CO 34a_200011997030_100015514636 [0,3,0,0,0,0|1,0,0]=4 20034 B13R1.75 C=CCNc1ccc(cc1C)OC 34a_100000750285_100015514636 [0,3,0,0,0,0|1,0,0]=4 20035 B13R1.75 C=CCNc1ccc(cc1Cl)C#N 34a_100000690208_100015514636 [0,3,0,0,0,0|1,0,0]=4 20036 B13R1.75 C=CCNc1ccc(cc1Cl)C#N 7a_100000690208_100015514636 [0,3,0,0,0,0|1,0,0]=4 20037 B13R1.75 C=CCNc1ccc(cc1Cl)OC 34a_100000747055_100015514636 [0,3,0,0,0,0|1,0,0]=4 20038 B13R1.75 C=CCNc1ccc(cc1F)C#N 34a_100000760432_100015514636 [0,3,0,0,0,0|1,0,0]=4 20039 B13R1.75 C=CCNc1ccc(cc1F)C#N 7a_100000760432_100015514636 [0,3,0,0,0,0|1,0,0]=4 20040 B13R1.75 C=CCNc1ccc(cc1F)CC 2230a_100016177294_100000210623 [0,3,0,0,0,0|1,0,0]=4 20041 B13R1.75 C=CCNc1ccc(cc1F)CC 34a_100016177294_100015514636 [0,3,0,0,0,0|1,0,0]=4 20042 B13R1.75 C=CCNc1ccc(cc1F)CO 2230a_100011217239_100000210623 [0,3,0,0,0,0|1,0,0]=4 20043 B13R1.75 C=CCNc1ccc(cc1F)CO 34a_100011217239_100015514636 [0,3,0,0,0,0|1,0,0]=4 20044 B13R1.75 C=CCNc1ccc(cc1F)OC 34a_100011299463_100015514636 [0,3,0,0,0,0|1,0,0]=4 20045 B13R1.75 C=CCNc1ccc(cc1F)SC 34a_100012056844_100015514636 [0,3,0,0,0,0|1,0,0]=4 20046 B13R1.75 C=CCNc1ccc(cc1I)C#N 7a_100000067503_100015514636 [0,3,0,0,0,0|1,0,0]=4 20047 B13R1.75 C=CCNc1ccc(cc1I)OC 34a_100000049804_100015514636 [0,3,0,0,0,0|1,0,0]=4 20048 B13R1.75 C=CCNc1ccc(cc1O)C#N 34a_100011997735_100015514636 [0,3,0,0,0,0|1,0,0]=4 20049 B13R1.75 C=CCNc1ccc(cc1O)CC 34a_100000124328_100015514636 [0,3,0,0,0,0|1,0,0]=4 20050 B13R1.75 C=CCNc1ccc(cc1O)OC 34a_100016989039_100015514636 [0,3,0,0,0,0|1,0,0]=4 20051 B13R1.75 C=CCOc1ccc(cc1Br)C#N 34a_100011216086_100015514636 [0,3,0,0,0,0|0,0,0]=3 20052 B13R1.75 C=CCOc1ccc(cc1Br)C#N 7a_100011216086_100015514636 [0,3,0,0,0,0|0,0,0]=3 20053 B13R1.75 C=CCOc1ccc(cc1Br)CC 34a_100012339963_100015514636 [0,3,0,0,0,0|0,0,0]=3 20054 B13R1.75 C=CCOc1ccc(cc1Br)CC 7a_100012339963_100015514636 [0,3,0,0,0,0|0,0,0]=3 20055 B13R1.75 C=CCOc1ccc(cc1Br)CO 34a_100011191544_100015514636 [0,3,0,0,0,0|0,0,0]=3 20056 B13R1.75 C=CCOc1ccc(cc1Br)CO 7a_100011191544_100015514636 [0,3,0,0,0,0|0,0,0]=3 20057 B13R1.75 C=CCOc1ccc(cc1Br)OC 34a_100000685887_100015514636 [0,3,0,0,0,0|0,0,0]=3 20058 B13R1.75 C=CCOc1ccc(cc1Br)OC 7a_100000685887_100015514636 [0,3,0,0,0,0|0,0,0]=3 20059 B13R1.75 C=CCOc1ccc(cc1C)C#N 34a_100000749339_100015514636 [0,3,0,0,0,0|0,0,0]=3 20060 B13R1.75 C=CCOc1ccc(cc1C)C#N 7a_100000749339_100015514636 [0,3,0,0,0,0|0,0,0]=3 20061 B13R1.75 C=CCOc1ccc(cc1C)CO 34a_100000075815_100015514636 [0,3,0,0,0,0|0,0,0]=3 20062 B13R1.75 C=CCOc1ccc(cc1C)CO 7a_100000075815_100015514636 [0,3,0,0,0,0|0,0,0]=3 20063 B13R1.75 C=CCOc1ccc(cc1C)OC 34a_100012002223_100015514636 [0,3,0,0,0,0|0,0,0]=3 20064 B13R1.75 C=CCOc1ccc(cc1C)OC 7a_100012002223_100015514636 [0,3,0,0,0,0|0,0,0]=3 20065 B13R1.75 C=CCOc1ccc(cc1Cl)C#N 34a_100000205955_100015514636 [0,3,0,0,0,0|0,0,0]=3 20066 B13R1.75 C=CCOc1ccc(cc1Cl)C#N 7a_100000205955_100015514636 [0,3,0,0,0,0|0,0,0]=3 20067 B13R1.75 C=CCOc1ccc(cc1Cl)OC 34a_100000038596_100015514636 [0,3,0,0,0,0|0,0,0]=3 20068 B13R1.75 C=CCOc1ccc(cc1Cl)OC 7a_100000038596_100015514636 [0,3,0,0,0,0|0,0,0]=3 20069 B13R1.75 C=CCOc1ccc(cc1F)C#N 34a_100000751310_100015514636 [0,3,0,0,0,0|0,0,0]=3 20070 B13R1.75 C=CCOc1ccc(cc1F)C#N 7a_100000751310_100015514636 [0,3,0,0,0,0|0,0,0]=3 20071 B13R1.75 C=CCOc1ccc(cc1F)CN 34a_100000758358_100015514636 [0,3,0,0,0,0|0,0,0]=3 20072 B13R1.75 C=CCOc1ccc(cc1F)OC 34a_100000036999_100015514636 [0,3,0,0,0,0|0,0,0]=3 20073 B13R1.75 C=CCOc1ccc(cc1F)OC 7a_100000036999_100015514636 [0,3,0,0,0,0|0,0,0]=3 20074 B13R1.75 C=CCOc1ccc(cc1I)C#N 34a_100000725478_100015514636 [0,3,0,0,0,0|0,0,0]=3 20075 B13R1.75 C=CCOc1ccc(cc1I)C#N 7a_100000725478_100015514636 [0,3,0,0,0,0|0,0,0]=3 20076 B13R1.75 C=CCOc1ccc(cc1N)C#N 34a_100000766272_100015514636 [0,3,0,0,0,0|0,0,0]=3 20077 B13R1.75 C=CCOc1ccc(cc1N)C#N 7a_100000766272_100015514636 [0,3,0,0,0,0|0,0,0]=3 20078 B13R1.75 C=CCOc1ccc(cc1N)CC 34a_100000765835_100015514636 [0,3,0,0,0,0|0,0,0]=3 20079 B13R1.75 C=CCOc1ccc(cc1N)CC 7a_100000765835_100015514636 [0,3,0,0,0,0|0,0,0]=3 20080 B13R1.75 C=CCOc1ccc(cc1N)CO 34a_100000123545_100015514636 [0,3,0,0,0,0|0,0,0]=3 20081 B13R1.75 C=CCOc1ccc(cc1N)OC 34a_100000188146_100015514636 [0,3,0,0,0,0|0,0,0]=3 20082 B13R1.75 C=CCOc1ccc(cc1O)C=O 271570a_203496583355_100000173511 [0,3,0,0,0,0|0,0,0]=3 20083 B13R1.75 C=CCOc1ccc(nc1Br)CO 34a_200009817064_100015514636 [0,3,0,0,0,0|1,0,0]=4 20084 B13R1.75 C=CCOc1ccc(nc1Br)CO 7a_200009817064_100015514636 [0,3,0,0,0,0|1,0,0]=4 20085 B13R1.75 C=CCOc1ccc(nc1C)OC 34a_200009873766_100015514636 [0,3,0,0,0,0|1,0,0]=4 20086 B13R1.75 C=CCOc1ccc(nc1Cl)CO 34a_200000118097_100015514636 [0,3,0,0,0,0|1,0,0]=4 20087 B13R1.75 C=CCOc1ccc(nc1Cl)CO 7a_200000118097_100015514636 [0,3,0,0,0,0|1,0,0]=4 20088 B13R1.75 C=CCOc1coc(cc1=O)CCl 34a_100000010605_100015514636 [0,3,0,0,0,0|1,0,0]=4 20089 B13R1.75 C=CCOc1coc(cc1=O)CO 34a_100000211585_100015514636 [0,3,0,0,0,0|1,0,0]=4 20090 B13R1.75 C=CCSc1ccc(cc1Br)C#N 62a_100000210623_100012356348 [0,3,0,0,0,0|0,1,0]=4 20091 B13R1.75 C=CCSc1ccc(cc1Br)CC 62a_100000210623_200009997437 [0,3,0,0,0,0|0,1,0]=4 20092 B13R1.75 C=CCSc1ccc(cc1Br)CC 62a_200009997437_100000210623 [0,3,0,0,0,0|0,1,0]=4 20093 B13R1.75 C=CCSc1ccc(cc1Br)OC 62a_100000210623_100012349170 [0,3,0,0,0,0|0,1,0]=4 20094 B13R1.75 C=CCSc1ccc(cc1Br)OC 62a_100012349170_100000210623 [0,3,0,0,0,0|0,1,0]=4 20095 B13R1.75 C=CCSc1ccc(cc1C)C#N 62a_100000210623_100000212329 [0,3,0,0,0,0|0,1,0]=4 20096 B13R1.75 C=CCSc1ccc(cc1C)C=O 62a_100000210623_100000765772 [0,3,0,0,0,0|0,1,0]=4 20097 B13R1.75 C=CCSc1ccc(cc1C)C=O 62a_100000765772_100000210623 [0,3,0,0,0,0|0,1,0]=4 20098 B13R1.75 C=CCSc1ccc(cc1C)CN 62a_100000210623_100015205234 [0,3,0,0,0,0|0,1,0]=4 20099 B13R1.75 C=CCSc1ccc(cc1C)CN 62a_100015205234_100000210623 [0,3,0,0,0,0|0,1,0]=4 20100 B13R1.75 C=CCSc1ccc(cc1C)CO 62a_100000210623_100000718852 [0,3,0,0,0,0|0,1,0]=4 20101 B13R1.75 C=CCSc1ccc(cc1C)CO 62a_100000718852_100000210623 [0,3,0,0,0,0|0,1,0]=4 20102 B13R1.75 C=CCSc1ccc(cc1C)NC 62a_100000210623_100102888905 [0,3,0,0,0,0|0,1,0]=4 20103 B13R1.75 C=CCSc1ccc(cc1C)NC 62a_100102888905_100000210623 [0,3,0,0,0,0|0,1,0]=4 20104 B13R1.75 C=CCSc1ccc(cc1C)NN 62a_100000210623_100000745493 [0,3,0,0,0,0|0,1,0]=4 20105 B13R1.75 C=CCSc1ccc(cc1C)NN 62a_100000745493_100000210623 [0,3,0,0,0,0|0,1,0]=4 20106 B13R1.75 C=CCSc1ccc(cc1C)OC 62a_100000210623_100000759875 [0,3,0,0,0,0|0,1,0]=4 20107 B13R1.75 C=CCSc1ccc(cc1C)OC 62a_100000759875_100000210623 [0,3,0,0,0,0|0,1,0]=4 20108 B13R1.75 C=CCSc1ccc(cc1Cl)C#N 62a_100000210623_100012349663 [0,3,0,0,0,0|0,1,0]=4 20109 B13R1.75 C=CCSc1ccc(cc1Cl)CO 62a_100000210623_100000718186 [0,3,0,0,0,0|0,1,0]=4 20110 B13R1.75 C=CCSc1ccc(cc1Cl)CO 62a_100000718186_100000210623 [0,3,0,0,0,0|0,1,0]=4 20111 B13R1.75 C=CCSc1ccc(cc1F)C#N 62a_100000210623_100000050172 [0,3,0,0,0,0|0,1,0]=4 20112 B13R1.75 C=CCSc1ccc(cc1F)C=O 62a_100000210623_100000686674 [0,3,0,0,0,0|0,1,0]=4 20113 B13R1.75 C=CCSc1ccc(cc1F)C=O 62a_100000686674_100000210623 [0,3,0,0,0,0|0,1,0]=4 20114 B13R1.75 C=CCSc1ccc(cc1F)CC 62a_100000210623_200010339503 [0,3,0,0,0,0|0,1,0]=4 20115 B13R1.75 C=CCSc1ccc(cc1F)CC 62a_200010339503_100000210623 [0,3,0,0,0,0|0,1,0]=4 20116 B13R1.75 C=CCSc1ccc(cc1F)CN 62a_100000210623_100000755036 [0,3,0,0,0,0|0,1,0]=4 20117 B13R1.75 C=CCSc1ccc(cc1F)CN 62a_100000755036_100000210623 [0,3,0,0,0,0|0,1,0]=4 20118 B13R1.75 C=CCSc1ccc(cc1F)CO 62a_100000210623_100011533735 [0,3,0,0,0,0|0,1,0]=4 20119 B13R1.75 C=CCSc1ccc(cc1F)CO 62a_100011533735_100000210623 [0,3,0,0,0,0|0,1,0]=4 20120 B13R1.75 C=CCSc1ccc(cc1F)NC 62a_100000210623_100012285320 [0,3,0,0,0,0|0,1,0]=4 20121 B13R1.75 C=CCSc1ccc(cc1F)NC 62a_100012285320_100000210623 [0,3,0,0,0,0|0,1,0]=4 20122 B13R1.75 C=CCSc1ccc(cc1F)NN 62a_100000210623_100016992936 [0,3,0,0,0,0|0,1,0]=4 20123 B13R1.75 C=CCSc1ccc(cc1F)NN 62a_100016992936_100000210623 [0,3,0,0,0,0|0,1,0]=4 20124 B13R1.75 C=CCSc1ccc(cc1F)OC 62a_100000210623_100000753793 [0,3,0,0,0,0|0,1,0]=4 20125 B13R1.75 C=CCSc1ccc(cc1F)OC 62a_100000753793_100000210623 [0,3,0,0,0,0|0,1,0]=4 20126 B13R1.75 C=CCSc1ccc(cc1F)SC 62a_100000210623_100009816902 [0,3,0,0,0,0|0,1,0]=4 20127 B13R1.75 C=CCSc1ccc(cc1F)SC 62a_100009816902_100000210623 [0,3,0,0,0,0|0,1,0]=4 20128 B13R1.75 C=CCSc1ccc(cc1N)C#N 62a_100000210623_100012001879 [0,3,0,0,0,0|0,1,0]=4 20129 B13R1.75 C=CCSc1ccc(cc1N)CO 62a_100000210623_100012347568 [0,3,0,0,0,0|0,1,0]=4 20130 B13R1.75 C=CCSc1ccc(cc1N)CO 62a_100012347568_100000210623 [0,3,0,0,0,0|0,1,0]=4 20131 B13R1.75 C=CCSc1ccc(cc1N)OC 62a_100000210623_100000748021 [0,3,0,0,0,0|0,1,0]=4 20132 B13R1.75 C=CCSc1ccc(cc1N)OC 62a_100000748021_100000210623 [0,3,0,0,0,0|0,1,0]=4 20133 B13R1.75 C=CCSc1ccc(cc1O)C#N 62a_100000210623_100009877741 [0,3,0,0,0,0|0,1,0]=4 20134 B13R1.75 C=CCSc1ccc(cc1O)C=O 62a_100000041418_100000210623 [0,3,0,0,0,0|0,1,0]=4 20135 B13R1.75 C=CCSc1ccc(cc1O)C=O 62a_100000210623_100000041418 [0,3,0,0,0,0|0,1,0]=4 20136 B13R1.75 C=CCSc1ccc(cc1O)CO 62a_100000049605_100000210623 [0,3,0,0,0,0|0,1,0]=4 20137 B13R1.75 C=CCSc1ccc(cc1O)CO 62a_100000210623_100000049605 [0,3,0,0,0,0|0,1,0]=4 20138 B13R1.75 C=CCSc1ccc(cc1O)OC 62a_100000210623_100000719091 [0,3,0,0,0,0|0,1,0]=4 20139 B13R1.75 CCc1ccc(c(c1)Br)OCC=O 34a_100012339963_200009817547 [0,3,0,0,0,0|1,0,0]=4 20140 B13R1.75 CCc1ccc(c(c1)Br)OCC=O 7a_100012339963_200015260668 [0,3,0,0,0,0|1,0,0]=4 20141 B13R1.75 CCc1ccc(c(c1)N)OCC=O 34a_100000765835_200009817547 [0,3,0,0,0,0|1,0,0]=4 20142 B13R1.75 CCc1ccc(c(c1)N)OCC=O 7a_100000765835_200015260668 [0,3,0,0,0,0|1,0,0]=4 20143 B13R1.75 COc1ccc(c(c1)Br)OCC=O 34a_100000685887_200009817547 [0,3,0,0,0,0|1,0,0]=4 20144 B13R1.75 COc1ccc(c(c1)Br)OCC=O 7a_100000685887_200015260668 [0,3,0,0,0,0|1,0,0]=4 20145 B13R1.75 COc1ccc(c(c1)C)OCC=O 34a_100012002223_200009817547 [0,3,0,0,0,0|1,0,0]=4 20146 B13R1.75 COc1ccc(c(c1)C)OCC=O 7a_100012002223_200015260668 [0,3,0,0,0,0|1,0,0]=4 20147 B13R1.75 COc1ccc(c(c1)Cl)OCC=O 34a_100000038596_200009817547 [0,3,0,0,0,0|1,0,0]=4 20148 B13R1.75 COc1ccc(c(c1)Cl)OCC=O 7a_100000038596_200015260668 [0,3,0,0,0,0|1,0,0]=4 20149 B13R1.75 COc1ccc(c(c1)F)OCC=O 34a_100000036999_200009817547 [0,3,0,0,0,0|1,0,0]=4 20150 B13R1.75 COc1ccc(c(c1)F)OCC=O 7a_100000036999_200015260668 [0,3,0,0,0,0|1,0,0]=4 20151 B13R1.75 COc1ccc(c(c1)N)OCC=O 34a_100000188146_200009817547 [0,3,0,0,0,0|1,0,0]=4 20152 B13R1.75 Cc1cc(ccc1OCC=O)C#N 34a_100000749339_200009817547 [0,3,0,0,0,0|1,0,0]=4 20153 B13R1.75 Cc1cc(ccc1OCC=O)C#N 7a_100000749339_200015260668 [0,3,0,0,0,0|1,0,0]=4 20154 B13R1.75 Cc1cc(ccc1OCC=O)CO 34a_100000075815_200009817547 [0,3,0,0,0,0|1,0,0]=4 20155 B13R1.75 Cc1cc(ccc1OCC=O)CO 7a_100000075815_200015260668 [0,3,0,0,0,0|1,0,0]=4 20156 B13R1.75 N#Cc1ccc(c(c1)Br)OCC=O 34a_100011216086_200009817547 [0,3,0,0,0,0|1,0,0]=4 20157 B13R1.75 N#Cc1ccc(c(c1)Br)OCC=O 7a_100011216086_200015260668 [0,3,0,0,0,0|1,0,0]=4 20158 B13R1.75 N#Cc1ccc(c(c1)Cl)OCC=O 34a_100000205955_200009817547 [0,3,0,0,0,0|1,0,0]=4 20159 B13R1.75 N#Cc1ccc(c(c1)Cl)OCC=O 7a_100000205955_200015260668 [0,3,0,0,0,0|1,0,0]=4 20160 B13R1.75 N#Cc1ccc(c(c1)F)OCC=O 34a_100000751310_200009817547 [0,3,0,0,0,0|1,0,0]=4 20161 B13R1.75 N#Cc1ccc(c(c1)F)OCC=O 7a_100000751310_200015260668 [0,3,0,0,0,0|1,0,0]=4 20162 B13R1.75 N#Cc1ccc(c(c1)I)OCC=O 34a_100000725478_200009817547 [0,3,0,0,0,0|1,0,0]=4 20163 B13R1.75 N#Cc1ccc(c(c1)I)OCC=O 7a_100000725478_200015260668 [0,3,0,0,0,0|1,0,0]=4 20164 B13R1.75 N#Cc1ccc(c(c1)N)OCC=O 34a_100000766272_200009817547 [0,3,0,0,0,0|1,0,0]=4 20165 B13R1.75 N#Cc1ccc(c(c1)N)OCC=O 7a_100000766272_200015260668 [0,3,0,0,0,0|1,0,0]=4 20166 B13R1.75 NCc1ccc(c(c1)F)OCC=O 34a_100000758358_200009817547 [0,3,0,0,0,0|1,0,0]=4 20167 B13R1.75 Nc1cc(ccc1OCC=O)CO 34a_100000123545_200009817547 [0,3,0,0,0,0|1,0,0]=4 20168 B13R1.75 O=CCOc1ccc(cc1Br)CO 34a_100011191544_200009817547 [0,3,0,0,0,0|1,0,0]=4 20169 B13R1.75 O=CCOc1ccc(cc1Br)CO 7a_100011191544_200015260668 [0,3,0,0,0,0|1,0,0]=4 20170 B13R1.1601 C=CCNc1c(cc(cc1Br)Br)C 34a_100012047207_100015514636 [0,3,0,0,0,0|1,0,0]=4 20171 B13R1.1601 C=CCNc1c(cc(cc1Br)Br)C 7a_100012047207_100015514636 [0,3,0,0,0,0|1,0,0]=4 20172 B13R1.1601 C=CCNc1c(cc(cc1Br)Br)Cl 34a_100011216035_100015514636 [0,3,0,0,0,0|1,0,0]=4 20173 B13R1.1601 C=CCNc1c(cc(cc1Br)Br)F 34a_100011215609_100015514636 [0,3,0,0,0,0|1,0,0]=4 20174 B13R1.1601 C=CCNc1c(cc(cc1Br)C)Br 34a_100000184052_100015514636 [0,3,0,0,0,0|1,0,0]=4 20175 B13R1.1601 C=CCNc1c(cc(cc1Br)C)C 34a_100000688863_100015514636 [0,3,0,0,0,0|1,0,0]=4 20176 B13R1.1601 C=CCNc1c(cc(cc1Br)C)Cl 34a_100012339639_100015514636 [0,3,0,0,0,0|1,0,0]=4 20177 B13R1.1601 C=CCNc1c(cc(cc1Br)C)F 34a_100012353694_100015514636 [0,3,0,0,0,0|1,0,0]=4 20178 B13R1.1601 C=CCNc1c(cc(cc1Br)Cl)Br 34a_100000724118_100015514636 [0,3,0,0,0,0|1,0,0]=4 20179 B13R1.1601 C=CCNc1c(cc(cc1Br)Cl)C 34a_100012353696_100015514636 [0,3,0,0,0,0|1,0,0]=4 20180 B13R1.1601 C=CCNc1c(cc(cc1Br)Cl)C 7a_100012353696_100015514636 [0,3,0,0,0,0|1,0,0]=4 20181 B13R1.1601 C=CCNc1c(cc(cc1Br)Cl)Cl 34a_100011218119_100015514636 [0,3,0,0,0,0|1,0,0]=4 20182 B13R1.1601 C=CCNc1c(cc(cc1Br)Cl)F 34a_100011217455_100015514636 [0,3,0,0,0,0|1,0,0]=4 20183 B13R1.1601 C=CCNc1c(cc(cc1Br)F)Br 34a_100000211720_100015514636 [0,3,0,0,0,0|1,0,0]=4 20184 B13R1.1601 C=CCNc1c(cc(cc1Br)F)C 34a_100011216670_100015514636 [0,3,0,0,0,0|1,0,0]=4 20185 B13R1.1601 C=CCNc1c(cc(cc1Br)F)C 7a_100011216670_100015514636 [0,3,0,0,0,0|1,0,0]=4 20186 B13R1.1601 C=CCNc1c(cc(cc1Br)F)Cl 34a_100000694656_100015514636 [0,3,0,0,0,0|1,0,0]=4 20187 B13R1.1601 C=CCNc1c(cc(cc1Br)F)F 34a_100000211602_100015514636 [0,3,0,0,0,0|1,0,0]=4 20188 B13R1.1601 C=CCNc1c(cc(cc1C)Br)C 34a_100000737279_100015514636 [0,3,0,0,0,0|1,0,0]=4 20189 B13R1.1601 C=CCNc1c(cc(cc1C)Br)C 7a_100000737279_100015514636 [0,3,0,0,0,0|1,0,0]=4 20190 B13R1.1601 C=CCNc1c(cc(cc1C)C)C 34a_100000210045_100015514636 [0,3,0,0,0,0|1,0,0]=4 20191 B13R1.1601 C=CCNc1c(cc(cc1C)C)C 7a_100000210045_100015514636 [0,3,0,0,0,0|1,0,0]=4 20192 B13R1.1601 C=CCNc1c(cc(cc1C)Cl)C 34a_100000692879_100015514636 [0,3,0,0,0,0|1,0,0]=4 20193 B13R1.1601 C=CCNc1c(cc(cc1C)Cl)C 7a_100000692879_100015514636 [0,3,0,0,0,0|1,0,0]=4 20194 B13R1.1601 C=CCNc1c(cc(cc1C)F)C 34a_100011290887_100015514636 [0,3,0,0,0,0|1,0,0]=4 20195 B13R1.1601 C=CCNc1c(cc(cc1C)F)C 7a_100011290887_100015514636 [0,3,0,0,0,0|1,0,0]=4 20196 B13R1.1601 C=CCNc1c(cc(cc1C)I)C 7a_100011356821_100015514636 [0,3,0,0,0,0|1,0,0]=4 20197 B13R1.1601 C=CCNc1c(cc(cc1C)O)C 34a_100011934200_100015514636 [0,3,0,0,0,0|1,0,0]=4 20198 B13R1.1601 C=CCNc1c(cc(cc1Cl)Br)C 34a_100000741131_100015514636 [0,3,0,0,0,0|1,0,0]=4 20199 B13R1.1601 C=CCNc1c(cc(cc1Cl)Br)C 7a_100000741131_100015514636 [0,3,0,0,0,0|1,0,0]=4 20200 B13R1.1601 C=CCNc1c(cc(cc1Cl)Br)Cl 34a_100000211608_100015514636 [0,3,0,0,0,0|1,0,0]=4 20201 B13R1.1601 C=CCNc1c(cc(cc1Cl)Br)F 34a_100000725741_100015514636 [0,3,0,0,0,0|1,0,0]=4 20202 B13R1.1601 C=CCNc1c(cc(cc1Cl)Br)F 7a_100000725741_100015514636 [0,3,0,0,0,0|1,0,0]=4 20203 B13R1.1601 C=CCNc1c(cc(cc1Cl)C)C 34a_100000211461_100015514636 [0,3,0,0,0,0|1,0,0]=4 20204 B13R1.1601 C=CCNc1c(cc(cc1Cl)C)C 7a_100000211461_100015514636 [0,3,0,0,0,0|1,0,0]=4 20205 B13R1.1601 C=CCNc1c(cc(cc1Cl)C)Cl 34a_100011996032_100015514636 [0,3,0,0,0,0|1,0,0]=4 20206 B13R1.1601 C=CCNc1c(cc(cc1Cl)C)O 34a_100015906060_100015514636 [0,3,0,0,0,0|1,0,0]=4 20207 B13R1.1601 C=CCNc1c(cc(cc1Cl)Cl)C 34a_100011215104_100015514636 [0,3,0,0,0,0|1,0,0]=4 20208 B13R1.1601 C=CCNc1c(cc(cc1Cl)Cl)C 7a_100011215104_100015514636 [0,3,0,0,0,0|1,0,0]=4 20209 B13R1.1601 C=CCNc1c(cc(cc1Cl)Cl)Cl 34a_100000210601_100015514636 [0,3,0,0,0,0|1,0,0]=4 20210 B13R1.1601 C=CCNc1c(cc(cc1Cl)Cl)F 34a_100000688862_100015514636 [0,3,0,0,0,0|1,0,0]=4 20211 B13R1.1601 C=CCNc1c(cc(cc1Cl)Cl)F 7a_100000688862_100015514636 [0,3,0,0,0,0|1,0,0]=4 20212 B13R1.1601 C=CCNc1c(cc(cc1Cl)F)C 34a_100000725997_100015514636 [0,3,0,0,0,0|1,0,0]=4 20213 B13R1.1601 C=CCNc1c(cc(cc1Cl)F)C 7a_100000725997_100015514636 [0,3,0,0,0,0|1,0,0]=4 20214 B13R1.1601 C=CCNc1c(cc(cc1Cl)F)Cl 34a_100000688861_100015514636 [0,3,0,0,0,0|1,0,0]=4 20215 B13R1.1601 C=CCNc1c(cc(cc1Cl)F)F 34a_100000688773_100015514636 [0,3,0,0,0,0|1,0,0]=4 20216 B13R1.1601 C=CCNc1c(cc(cc1F)Br)C 34a_100000709789_100015514636 [0,3,0,0,0,0|1,0,0]=4 20217 B13R1.1601 C=CCNc1c(cc(cc1F)Br)C 7a_100000709789_100015514636 [0,3,0,0,0,0|1,0,0]=4 20218 B13R1.1601 C=CCNc1c(cc(cc1F)Br)F 34a_100000758902_100015514636 [0,3,0,0,0,0|1,0,0]=4 20219 B13R1.1601 C=CCNc1c(cc(cc1F)Br)F 7a_100000758902_100015514636 [0,3,0,0,0,0|1,0,0]=4 20220 B13R1.1601 C=CCNc1c(cc(cc1F)Br)O 34a_100015475841_100015514636 [0,3,0,0,0,0|1,0,0]=4 20221 B13R1.1601 C=CCNc1c(cc(cc1F)Cl)C 34a_100012017672_100015514636 [0,3,0,0,0,0|1,0,0]=4 20222 B13R1.1601 C=CCNc1c(cc(cc1F)Cl)C 7a_100012017672_100015514636 [0,3,0,0,0,0|1,0,0]=4 20223 B13R1.1601 C=CCNc1c(cc(cc1F)Cl)F 34a_100000695146_100015514636 [0,3,0,0,0,0|1,0,0]=4 20224 B13R1.1601 C=CCNc1c(cc(cc1F)Cl)F 7a_100000695146_100015514636 [0,3,0,0,0,0|1,0,0]=4 20225 B13R1.1601 C=CCNc1c(cc(cc1F)Cl)O 34a_100010883250_100015514636 [0,3,0,0,0,0|1,0,0]=4 20226 B13R1.1601 C=CCNc1c(cc(cc1F)Cl)O 7a_100010883250_100015514636 [0,3,0,0,0,0|1,0,0]=4 20227 B13R1.1601 C=CCNc1c(cc(cc1F)F)F 34a_100000760425_100015514636 [0,3,0,0,0,0|1,0,0]=4 20228 B13R1.1601 C=CCNc1c(cc(cc1F)F)O 34a_100011217947_100015514636 [0,3,0,0,0,0|1,0,0]=4 20229 B13R1.1601 C=CCNc1c(cc(cc1F)F)O 7a_100011217947_100015514636 [0,3,0,0,0,0|1,0,0]=4 20230 B13R1.1601 C=CCNc1c(cc(cc1F)I)F 34a_100012353610_100015514636 [0,3,0,0,0,0|1,0,0]=4 20231 B13R1.1601 C=CCNc1c(cc(cc1F)O)F 34a_100000036573_100015514636 [0,3,0,0,0,0|1,0,0]=4 20232 B13R1.1601 C=CCNc1c(cc(cc1I)Br)C 7a_200000690823_100015514636 [0,3,0,0,0,0|1,0,0]=4 20233 B13R1.1601 C=CCNc1c(cc(cc1I)Cl)C 7a_100012344046_100015514636 [0,3,0,0,0,0|1,0,0]=4 20234 B13R1.1601 C=CCNc1c(cc(cc1I)F)F 34a_100102885649_100015514636 [0,3,0,0,0,0|1,0,0]=4 20235 B13R1.1601 C=CCNc1c(cc(cc1O)Br)C 34a_100010371313_100015514636 [0,3,0,0,0,0|1,0,0]=4 20236 B13R1.1601 C=CCNc1c(cc(cc1O)Br)C 7a_100010371313_100015514636 [0,3,0,0,0,0|1,0,0]=4 20237 B13R1.1601 C=CCOc1c(cc(cc1Br)Br)Br 34a_100000210219_100015514636 [0,3,0,0,0,0|0,0,0]=3 20238 B13R1.1601 C=CCOc1c(cc(cc1Br)Br)Br 7a_100000210219_100015514636 [0,3,0,0,0,0|0,0,0]=3 20239 B13R1.1601 C=CCOc1c(cc(cc1Br)Br)C 34a_100000186369_100015514636 [0,3,0,0,0,0|0,0,0]=3 20240 B13R1.1601 C=CCOc1c(cc(cc1Br)Br)C 7a_100000186369_100015514636 [0,3,0,0,0,0|0,0,0]=3 20241 B13R1.1601 C=CCOc1c(cc(cc1Br)Br)Cl 34a_100012337755_100015514636 [0,3,0,0,0,0|0,0,0]=3 20242 B13R1.1601 C=CCOc1c(cc(cc1Br)Br)Cl 7a_100012337755_100015514636 [0,3,0,0,0,0|0,0,0]=3 20243 B13R1.1601 C=CCOc1c(cc(cc1Br)Br)F 34a_100011216695_100015514636 [0,3,0,0,0,0|0,0,0]=3 20244 B13R1.1601 C=CCOc1c(cc(cc1Br)Br)F 7a_100011216695_100015514636 [0,3,0,0,0,0|0,0,0]=3 20245 B13R1.1601 C=CCOc1c(cc(cc1Br)Br)N 34a_100010781877_100015514636 [0,3,0,0,0,0|0,0,0]=3 20246 B13R1.1601 C=CCOc1c(cc(cc1Br)Br)N 7a_100010781877_100015514636 [0,3,0,0,0,0|0,0,0]=3 20247 B13R1.1601 C=CCOc1c(cc(cc1Br)C)Br 34a_100000203795_100015514636 [0,3,0,0,0,0|0,0,0]=3 20248 B13R1.1601 C=CCOc1c(cc(cc1Br)C)Br 7a_100000203795_100015514636 [0,3,0,0,0,0|0,0,0]=3 20249 B13R1.1601 C=CCOc1c(cc(cc1Br)C)C 34a_100011934984_100015514636 [0,3,0,0,0,0|0,0,0]=3 20250 B13R1.1601 C=CCOc1c(cc(cc1Br)C)C 7a_100011934984_100015514636 [0,3,0,0,0,0|0,0,0]=3 20251 B13R1.1601 C=CCOc1c(cc(cc1Br)C)F 34a_200010713133_100015514636 [0,3,0,0,0,0|0,0,0]=3 20252 B13R1.1601 C=CCOc1c(cc(cc1Br)C)F 7a_200010713133_100015514636 [0,3,0,0,0,0|0,0,0]=3 20253 B13R1.1601 C=CCOc1c(cc(cc1Br)Cl)Br 34a_100012337757_100015514636 [0,3,0,0,0,0|0,0,0]=3 20254 B13R1.1601 C=CCOc1c(cc(cc1Br)Cl)Br 7a_100012337757_100015514636 [0,3,0,0,0,0|0,0,0]=3 20255 B13R1.1601 C=CCOc1c(cc(cc1Br)Cl)C 34a_100012337756_100015514636 [0,3,0,0,0,0|0,0,0]=3 20256 B13R1.1601 C=CCOc1c(cc(cc1Br)Cl)C 7a_100012337756_100015514636 [0,3,0,0,0,0|0,0,0]=3 20257 B13R1.1601 C=CCOc1c(cc(cc1Br)Cl)Cl 34a_200000243811_100015514636 [0,3,0,0,0,0|0,0,0]=3 20258 B13R1.1601 C=CCOc1c(cc(cc1Br)Cl)Cl 7a_200000243811_100015514636 [0,3,0,0,0,0|0,0,0]=3 20259 B13R1.1601 C=CCOc1c(cc(cc1Br)Cl)F 34a_100011830412_100015514636 [0,3,0,0,0,0|0,0,0]=3 20260 B13R1.1601 C=CCOc1c(cc(cc1Br)Cl)F 7a_100011830412_100015514636 [0,3,0,0,0,0|0,0,0]=3 20261 B13R1.1601 C=CCOc1c(cc(cc1Br)Cl)N 34a_106741647128_100015514636 [0,3,0,0,0,0|0,0,0]=3 20262 B13R1.1601 C=CCOc1c(cc(cc1Br)Cl)N 7a_106741647128_100015514636 [0,3,0,0,0,0|0,0,0]=3 20263 B13R1.1601 C=CCOc1c(cc(cc1Br)F)Br 34a_100011215434_100015514636 [0,3,0,0,0,0|0,0,0]=3 20264 B13R1.1601 C=CCOc1c(cc(cc1Br)F)Br 7a_100011215434_100015514636 [0,3,0,0,0,0|0,0,0]=3 20265 B13R1.1601 C=CCOc1c(cc(cc1Br)F)Cl 34a_100011830411_100015514636 [0,3,0,0,0,0|0,0,0]=3 20266 B13R1.1601 C=CCOc1c(cc(cc1Br)F)Cl 7a_100011830411_100015514636 [0,3,0,0,0,0|0,0,0]=3 20267 B13R1.1601 C=CCOc1c(cc(cc1Br)F)F 34a_100000688693_100015514636 [0,3,0,0,0,0|0,0,0]=3 20268 B13R1.1601 C=CCOc1c(cc(cc1Br)F)F 7a_100000688693_100015514636 [0,3,0,0,0,0|0,0,0]=3 20269 B13R1.1601 C=CCOc1c(cc(cc1Br)F)N 34a_200011217456_100015514636 [0,3,0,0,0,0|0,0,0]=3 20270 B13R1.1601 C=CCOc1c(cc(cc1Br)F)N 7a_200011217456_100015514636 [0,3,0,0,0,0|0,0,0]=3 20271 B13R1.1601 C=CCOc1c(cc(cc1Br)I)C 34a_100010982682_100015514636 [0,3,0,0,0,0|0,0,0]=3 20272 B13R1.1601 C=CCOc1c(cc(cc1Br)I)C 7a_100010982682_100015514636 [0,3,0,0,0,0|0,0,0]=3 20273 B13R1.1601 C=CCOc1c(cc(cc1Br)N)Br 34a_200000186426_100015514636 [0,3,0,0,0,0|0,0,0]=3 20274 B13R1.1601 C=CCOc1c(cc(cc1Br)N)C 34a_100010064301_100015514636 [0,3,0,0,0,0|0,0,0]=3 20275 B13R1.1601 C=CCOc1c(cc(cc1Br)N)C 7a_100010064301_100015514636 [0,3,0,0,0,0|0,0,0]=3 20276 B13R1.1601 C=CCOc1c(cc(cc1C)Br)C 34a_100000187306_100015514636 [0,3,0,0,0,0|0,0,0]=3 20277 B13R1.1601 C=CCOc1c(cc(cc1C)Br)C 7a_100000187306_100015514636 [0,3,0,0,0,0|0,0,0]=3 20278 B13R1.1601 C=CCOc1c(cc(cc1C)C)C 34a_100000212074_100015514636 [0,3,0,0,0,0|0,0,0]=3 20279 B13R1.1601 C=CCOc1c(cc(cc1C)C)C 7a_100000212074_100015514636 [0,3,0,0,0,0|0,0,0]=3 20280 B13R1.1601 C=CCOc1c(cc(cc1C)Cl)C 34a_100000211519_100015514636 [0,3,0,0,0,0|0,0,0]=3 20281 B13R1.1601 C=CCOc1c(cc(cc1C)Cl)C 7a_100000211519_100015514636 [0,3,0,0,0,0|0,0,0]=3 20282 B13R1.1601 C=CCOc1c(cc(cc1C)F)C 34a_100000081862_100015514636 [0,3,0,0,0,0|0,0,0]=3 20283 B13R1.1601 C=CCOc1c(cc(cc1C)F)C 7a_100000081862_100015514636 [0,3,0,0,0,0|0,0,0]=3 20284 B13R1.1601 C=CCOc1c(cc(cc1C)I)C 34a_100011216129_100015514636 [0,3,0,0,0,0|0,0,0]=3 20285 B13R1.1601 C=CCOc1c(cc(cc1C)I)C 7a_100011216129_100015514636 [0,3,0,0,0,0|0,0,0]=3 20286 B13R1.1601 C=CCOc1c(cc(cc1C)N)C 34a_100000703291_100015514636 [0,3,0,0,0,0|0,0,0]=3 20287 B13R1.1601 C=CCOc1c(cc(cc1C)N)C 7a_100000703291_100015514636 [0,3,0,0,0,0|0,0,0]=3 20288 B13R1.1601 C=CCOc1c(cc(cc1Cl)Br)C 34a_100000211485_100015514636 [0,3,0,0,0,0|0,0,0]=3 20289 B13R1.1601 C=CCOc1c(cc(cc1Cl)Br)C 7a_100000211485_100015514636 [0,3,0,0,0,0|0,0,0]=3 20290 B13R1.1601 C=CCOc1c(cc(cc1Cl)Br)Cl 34a_100000753780_100015514636 [0,3,0,0,0,0|0,0,0]=3 20291 B13R1.1601 C=CCOc1c(cc(cc1Cl)Br)Cl 7a_100000753780_100015514636 [0,3,0,0,0,0|0,0,0]=3 20292 B13R1.1601 C=CCOc1c(cc(cc1Cl)Br)F 34a_100011216646_100015514636 [0,3,0,0,0,0|0,0,0]=3 20293 B13R1.1601 C=CCOc1c(cc(cc1Cl)Br)F 7a_100011216646_100015514636 [0,3,0,0,0,0|0,0,0]=3 20294 B13R1.1601 C=CCOc1c(cc(cc1Cl)Br)N 34a_100000694353_100015514636 [0,3,0,0,0,0|0,0,0]=3 20295 B13R1.1601 C=CCOc1c(cc(cc1Cl)Br)N 7a_100000694353_100015514636 [0,3,0,0,0,0|0,0,0]=3 20296 B13R1.1601 C=CCOc1c(cc(cc1Cl)C)Cl 34a_100000034925_100015514636 [0,3,0,0,0,0|0,0,0]=3 20297 B13R1.1601 C=CCOc1c(cc(cc1Cl)C)Cl 7a_100000034925_100015514636 [0,3,0,0,0,0|0,0,0]=3 20298 B13R1.1601 C=CCOc1c(cc(cc1Cl)Cl)C 34a_100011218458_100015514636 [0,3,0,0,0,0|0,0,0]=3 20299 B13R1.1601 C=CCOc1c(cc(cc1Cl)Cl)C 7a_100011218458_100015514636 [0,3,0,0,0,0|0,0,0]=3 20300 B13R1.1601 C=CCOc1c(cc(cc1Cl)Cl)Cl 34a_100000210218_100015514636 [0,3,0,0,0,0|0,0,0]=3 20301 B13R1.1601 C=CCOc1c(cc(cc1Cl)Cl)Cl 7a_100000210218_100015514636 [0,3,0,0,0,0|0,0,0]=3 20302 B13R1.1601 C=CCOc1c(cc(cc1Cl)Cl)N 34a_100000695819_100015514636 [0,3,0,0,0,0|0,0,0]=3 20303 B13R1.1601 C=CCOc1c(cc(cc1Cl)Cl)N 7a_100000695819_100015514636 [0,3,0,0,0,0|0,0,0]=3 20304 B13R1.1601 C=CCOc1c(cc(cc1Cl)F)Cl 34a_100011217724_100015514636 [0,3,0,0,0,0|0,0,0]=3 20305 B13R1.1601 C=CCOc1c(cc(cc1Cl)F)Cl 7a_100011217724_100015514636 [0,3,0,0,0,0|0,0,0]=3 20306 B13R1.1601 C=CCOc1c(cc(cc1Cl)F)F 34a_100011935252_100015514636 [0,3,0,0,0,0|0,0,0]=3 20307 B13R1.1601 C=CCOc1c(cc(cc1Cl)F)F 7a_100011935252_100015514636 [0,3,0,0,0,0|0,0,0]=3 20308 B13R1.1601 C=CCOc1c(cc(cc1Cl)I)C 34a_200015900153_100015514636 [0,3,0,0,0,0|0,0,0]=3 20309 B13R1.1601 C=CCOc1c(cc(cc1Cl)I)C 7a_200015900153_100015514636 [0,3,0,0,0,0|0,0,0]=3 20310 B13R1.1601 C=CCOc1c(cc(cc1Cl)I)Cl 7a_100012339652_100015514636 [0,3,0,0,0,0|0,0,0]=3 20311 B13R1.1601 C=CCOc1c(cc(cc1Cl)N)Cl 34a_100000695418_100015514636 [0,3,0,0,0,0|0,0,0]=3 20312 B13R1.1601 C=CCOc1c(cc(cc1Cl)N)Cl 7a_100000695418_100015514636 [0,3,0,0,0,0|0,0,0]=3 20313 B13R1.1601 C=CCOc1c(cc(cc1F)Br)F 34a_100011216917_100015514636 [0,3,0,0,0,0|0,0,0]=3 20314 B13R1.1601 C=CCOc1c(cc(cc1F)Br)F 7a_100011216917_100015514636 [0,3,0,0,0,0|0,0,0]=3 20315 B13R1.1601 C=CCOc1c(cc(cc1F)Br)N 34a_100011217383_100015514636 [0,3,0,0,0,0|0,0,0]=3 20316 B13R1.1601 C=CCOc1c(cc(cc1F)Br)N 7a_100011217383_100015514636 [0,3,0,0,0,0|0,0,0]=3 20317 B13R1.1601 C=CCOc1c(cc(cc1F)Cl)F 34a_100011830429_100015514636 [0,3,0,0,0,0|0,0,0]=3 20318 B13R1.1601 C=CCOc1c(cc(cc1F)Cl)F 7a_100011830429_100015514636 [0,3,0,0,0,0|0,0,0]=3 20319 B13R1.1601 C=CCOc1c(cc(cc1F)F)F 34a_100011218396_100015514636 [0,3,0,0,0,0|0,0,0]=3 20320 B13R1.1601 C=CCOc1c(cc(cc1F)F)F 7a_100011218396_100015514636 [0,3,0,0,0,0|0,0,0]=3 20321 B13R1.1601 C=CCOc1c(cc(cc1F)F)N 34a_100015205836_100015514636 [0,3,0,0,0,0|0,0,0]=3 20322 B13R1.1601 C=CCOc1c(cc(cc1F)F)N 7a_100015205836_100015514636 [0,3,0,0,0,0|0,0,0]=3 20323 B13R1.1601 C=CCOc1c(cc(cc1F)I)F 34a_200011830255_100015514636 [0,3,0,0,0,0|0,0,0]=3 20324 B13R1.1601 C=CCOc1c(cc(cc1F)I)F 7a_200011830255_100015514636 [0,3,0,0,0,0|0,0,0]=3 20325 B13R1.1601 C=CCOc1c(cc(cc1F)N)F 34a_100016987357_100015514636 [0,3,0,0,0,0|0,0,0]=3 20326 B13R1.1601 C=CCOc1c(cc(cc1F)N)F 7a_100016987357_100015514636 [0,3,0,0,0,0|0,0,0]=3 20327 B13R1.1601 C=CCOc1c(cc(cc1I)Br)F 34a_100013354677_100015514636 [0,3,0,0,0,0|0,0,0]=3 20328 B13R1.1601 C=CCOc1c(cc(cc1I)Br)F 7a_100013354677_100015514636 [0,3,0,0,0,0|0,0,0]=3 20329 B13R1.1601 C=CCOc1c(cc(cc1I)Br)I 7a_100009997433_100015514636 [0,3,0,0,0,0|0,0,0]=3 20330 B13R1.1601 C=CCOc1c(cc(cc1I)Br)N 7a_100016071998_100015514636 [0,3,0,0,0,0|0,0,0]=3 20331 B13R1.1601 C=CCOc1c(cc(cc1I)C)F 34a_200135191068_100015514636 [0,3,0,0,0,0|0,0,0]=3 20332 B13R1.1601 C=CCOc1c(cc(cc1I)C)F 7a_200135191068_100015514636 [0,3,0,0,0,0|0,0,0]=3 20333 B13R1.1601 C=CCOc1c(cc(cc1I)Cl)C 34a_100012343667_100015514636 [0,3,0,0,0,0|0,0,0]=3 20334 B13R1.1601 C=CCOc1c(cc(cc1I)Cl)C 7a_100012343667_100015514636 [0,3,0,0,0,0|0,0,0]=3 20335 B13R1.1601 C=CCOc1c(cc(cc1I)Cl)Cl 34a_200012339341_100015514636 [0,3,0,0,0,0|0,0,0]=3 20336 B13R1.1601 C=CCOc1c(cc(cc1I)Cl)Cl 7a_200012339341_100015514636 [0,3,0,0,0,0|0,0,0]=3 20337 B13R1.1601 C=CCOc1c(cc(cc1I)Cl)I 7a_100000730656_100015514636 [0,3,0,0,0,0|0,0,0]=3 20338 B13R1.1601 C=CCOc1c(cc(cc1I)F)Br 34a_200013085147_100015514636 [0,3,0,0,0,0|0,0,0]=3 20339 B13R1.1601 C=CCOc1c(cc(cc1I)F)Br 7a_200013085147_100015514636 [0,3,0,0,0,0|0,0,0]=3 20340 B13R1.1601 C=CCOc1c(cc(cc1I)F)F 34a_200013204775_100015514636 [0,3,0,0,0,0|0,0,0]=3 20341 B13R1.1601 C=CCOc1c(cc(cc1I)F)F 7a_200013204775_100015514636 [0,3,0,0,0,0|0,0,0]=3 20342 B13R1.1601 C=CCOc1c(cc(cc1I)I)Cl 7a_100009997439_100015514636 [0,3,0,0,0,0|0,0,0]=3 20343 B13R1.1601 C=CCOc1c(cc(cc1I)I)I 7a_100000210296_100015514636 [0,3,0,0,0,0|0,0,0]=3 20344 B13R1.1601 C=CCOc1c(cc(cc1N)Br)C 34a_100011825904_100015514636 [0,3,0,0,0,0|0,0,0]=3 20345 B13R1.1601 C=CCOc1c(cc(cc1N)Br)C 7a_100011825904_100015514636 [0,3,0,0,0,0|0,0,0]=3 20346 B13R1.1601 C=CCOc1c(cc(cc1N)C)C 34a_100011216242_100015514636 [0,3,0,0,0,0|0,0,0]=3 20347 B13R1.1601 C=CCOc1c(cc(cc1N)C)C 7a_100011216242_100015514636 [0,3,0,0,0,0|0,0,0]=3 20348 B13R1.1601 C=CCOc1c(cc(cc1N)F)C 34a_100000130126_100015514636 [0,3,0,0,0,0|0,0,0]=3 20349 B13R1.1601 C=CCOc1c(cc(cc1N)F)C 7a_100000130126_100015514636 [0,3,0,0,0,0|0,0,0]=3 20350 B13R1.1601 C=CCOc1c(cc(nc1Br)C)Br 34a_200010207325_100015514636 [0,3,0,0,0,0|1,0,0]=4 20351 B13R1.1601 C=CCOc1c(cc(nc1Br)C)Br 7a_200010207325_100015514636 [0,3,0,0,0,0|1,0,0]=4 20352 B13R1.1601 C=CCOc1c(cc(nc1Br)F)Br 34a_200015805819_100015514636 [0,3,0,0,0,0|1,0,0]=4 20353 B13R1.1601 C=CCOc1c(cc(nc1Br)F)Br 7a_200015805819_100015514636 [0,3,0,0,0,0|1,0,0]=4 20354 B13R1.1601 C=CCOc1c(cc(nc1C)Br)Br 34a_200010233669_100015514636 [0,3,0,0,0,0|1,0,0]=4 20355 B13R1.1601 C=CCOc1c(cc(nc1C)Br)Br 7a_200010233669_100015514636 [0,3,0,0,0,0|1,0,0]=4 20356 B13R1.1601 C=CCOc1c(cc(nc1F)Br)Br 34a_200010191512_100015514636 [0,3,0,0,0,0|1,0,0]=4 20357 B13R1.1601 C=CCOc1c(cc(nc1F)Br)Br 7a_200010191512_100015514636 [0,3,0,0,0,0|1,0,0]=4 20358 B13R1.1601 C=CCSc1c(cc(cc1Br)Br)Br 62a_100000210623_100011263223 [0,3,0,0,0,0|0,1,0]=4 20359 B13R1.1601 C=CCSc1c(cc(cc1Br)Br)Br 62a_100011263223_100000210623 [0,3,0,0,0,0|0,1,0]=4 20360 B13R1.1601 C=CCSc1c(cc(cc1Br)Br)C 62a_100000210623_200010208242 [0,3,0,0,0,0|0,1,0]=4 20361 B13R1.1601 C=CCSc1c(cc(cc1Br)Br)C 62a_200010208242_100000210623 [0,3,0,0,0,0|0,1,0]=4 20362 B13R1.1601 C=CCSc1c(cc(cc1Br)Br)F 62a_100000210623_100000708766 [0,3,0,0,0,0|0,1,0]=4 20363 B13R1.1601 C=CCSc1c(cc(cc1Br)Br)F 62a_100000708766_100000210623 [0,3,0,0,0,0|0,1,0]=4 20364 B13R1.1601 C=CCSc1c(cc(cc1Br)C)Br 62a_100000210623_200011219743 [0,3,0,0,0,0|0,1,0]=4 20365 B13R1.1601 C=CCSc1c(cc(cc1Br)C)Br 62a_200011219743_100000210623 [0,3,0,0,0,0|0,1,0]=4 20366 B13R1.1601 C=CCSc1c(cc(cc1Br)C)C 62a_100000210623_200012353697 [0,3,0,0,0,0|0,1,0]=4 20367 B13R1.1601 C=CCSc1c(cc(cc1Br)C)C 62a_200012353697_100000210623 [0,3,0,0,0,0|0,1,0]=4 20368 B13R1.1601 C=CCSc1c(cc(cc1Br)C)F 62a_100000210623_100010208195 [0,3,0,0,0,0|0,1,0]=4 20369 B13R1.1601 C=CCSc1c(cc(cc1Br)C)F 62a_100010208195_100000210623 [0,3,0,0,0,0|0,1,0]=4 20370 B13R1.1601 C=CCSc1c(cc(cc1Br)Cl)Cl 62a_100000210623_200009992027 [0,3,0,0,0,0|0,1,0]=4 20371 B13R1.1601 C=CCSc1c(cc(cc1Br)Cl)Cl 62a_200009992027_100000210623 [0,3,0,0,0,0|0,1,0]=4 20372 B13R1.1601 C=CCSc1c(cc(cc1Br)Cl)F 62a_100000210623_100009993495 [0,3,0,0,0,0|0,1,0]=4 20373 B13R1.1601 C=CCSc1c(cc(cc1Br)Cl)F 62a_100009993495_100000210623 [0,3,0,0,0,0|0,1,0]=4 20374 B13R1.1601 C=CCSc1c(cc(cc1Br)Cl)N 62a_100000210623_100011155807 [0,3,0,0,0,0|0,1,0]=4 20375 B13R1.1601 C=CCSc1c(cc(cc1Br)Cl)N 62a_100011155807_100000210623 [0,3,0,0,0,0|0,1,0]=4 20376 B13R1.1601 C=CCSc1c(cc(cc1Br)F)Br 62a_100000210623_100009813983 [0,3,0,0,0,0|0,1,0]=4 20377 B13R1.1601 C=CCSc1c(cc(cc1Br)F)Br 62a_100009813983_100000210623 [0,3,0,0,0,0|0,1,0]=4 20378 B13R1.1601 C=CCSc1c(cc(cc1Br)F)C 62a_100000210623_100010208209 [0,3,0,0,0,0|0,1,0]=4 20379 B13R1.1601 C=CCSc1c(cc(cc1Br)F)C 62a_100010208209_100000210623 [0,3,0,0,0,0|0,1,0]=4 20380 B13R1.1601 C=CCSc1c(cc(cc1Br)F)Cl 62a_100000210623_100012356682 [0,3,0,0,0,0|0,1,0]=4 20381 B13R1.1601 C=CCSc1c(cc(cc1Br)F)Cl 62a_100012356682_100000210623 [0,3,0,0,0,0|0,1,0]=4 20382 B13R1.1601 C=CCSc1c(cc(cc1Br)F)F 62a_100000210623_100000720994 [0,3,0,0,0,0|0,1,0]=4 20383 B13R1.1601 C=CCSc1c(cc(cc1Br)F)F 62a_100000720994_100000210623 [0,3,0,0,0,0|0,1,0]=4 20384 B13R1.1601 C=CCSc1c(cc(cc1Br)F)N 62a_100000210623_200010740111 [0,3,0,0,0,0|0,1,0]=4 20385 B13R1.1601 C=CCSc1c(cc(cc1Br)F)N 62a_200010740111_100000210623 [0,3,0,0,0,0|0,1,0]=4 20386 B13R1.1601 C=CCSc1c(cc(cc1C)Br)C 62a_100000210623_100009814048 [0,3,0,0,0,0|0,1,0]=4 20387 B13R1.1601 C=CCSc1c(cc(cc1C)Br)C 62a_100009814048_100000210623 [0,3,0,0,0,0|0,1,0]=4 20388 B13R1.1601 C=CCSc1c(cc(cc1C)C)C 62a_100000210623_100011204320 [0,3,0,0,0,0|0,1,0]=4 20389 B13R1.1601 C=CCSc1c(cc(cc1C)C)C 62a_100011204320_100000210623 [0,3,0,0,0,0|0,1,0]=4 20390 B13R1.1601 C=CCSc1c(cc(cc1C)Cl)C 62a_100000210623_100010244930 [0,3,0,0,0,0|0,1,0]=4 20391 B13R1.1601 C=CCSc1c(cc(cc1C)Cl)C 62a_100010244930_100000210623 [0,3,0,0,0,0|0,1,0]=4 20392 B13R1.1601 C=CCSc1c(cc(cc1C)F)C 62a_100000210623_100012356666 [0,3,0,0,0,0|0,1,0]=4 20393 B13R1.1601 C=CCSc1c(cc(cc1C)F)C 62a_100012356666_100000210623 [0,3,0,0,0,0|0,1,0]=4 20394 B13R1.1601 C=CCSc1c(cc(cc1C)N)C 62a_100000210623_100000215964 [0,3,0,0,0,0|0,1,0]=4 20395 B13R1.1601 C=CCSc1c(cc(cc1C)N)C 62a_100000215964_100000210623 [0,3,0,0,0,0|0,1,0]=4 20396 B13R1.1601 C=CCSc1c(cc(cc1C)O)C 62a_100000210623_100000243743 [0,3,0,0,0,0|0,1,0]=4 20397 B13R1.1601 C=CCSc1c(cc(cc1C)O)C 62a_100000243743_100000210623 [0,3,0,0,0,0|0,1,0]=4 20398 B13R1.1601 C=CCSc1c(cc(cc1Cl)Br)Cl 62a_100000210623_200011263224 [0,3,0,0,0,0|0,1,0]=4 20399 B13R1.1601 C=CCSc1c(cc(cc1Cl)Br)Cl 62a_200011263224_100000210623 [0,3,0,0,0,0|0,1,0]=4 20400 B13R1.1601 C=CCSc1c(cc(cc1Cl)Br)F 62a_100000210623_100010212234 [0,3,0,0,0,0|0,1,0]=4 20401 B13R1.1601 C=CCSc1c(cc(cc1Cl)Br)F 62a_100010212234_100000210623 [0,3,0,0,0,0|0,1,0]=4 20402 B13R1.1601 C=CCSc1c(cc(cc1Cl)Cl)C 62a_100000210623_200000035511 [0,3,0,0,0,0|0,1,0]=4 20403 B13R1.1601 C=CCSc1c(cc(cc1Cl)Cl)C 62a_200000035511_100000210623 [0,3,0,0,0,0|0,1,0]=4 20404 B13R1.1601 C=CCSc1c(cc(cc1Cl)Cl)Cl 62a_100000210623_200011216440 [0,3,0,0,0,0|0,1,0]=4 20405 B13R1.1601 C=CCSc1c(cc(cc1Cl)Cl)Cl 62a_200011216440_100000210623 [0,3,0,0,0,0|0,1,0]=4 20406 B13R1.1601 C=CCSc1c(cc(cc1Cl)F)C 62a_100000210623_100010079234 [0,3,0,0,0,0|0,1,0]=4 20407 B13R1.1601 C=CCSc1c(cc(cc1Cl)F)C 62a_100010079234_100000210623 [0,3,0,0,0,0|0,1,0]=4 20408 B13R1.1601 C=CCSc1c(cc(cc1Cl)F)Cl 62a_100000210623_100010175091 [0,3,0,0,0,0|0,1,0]=4 20409 B13R1.1601 C=CCSc1c(cc(cc1Cl)F)Cl 62a_100010175091_100000210623 [0,3,0,0,0,0|0,1,0]=4 20410 B13R1.1601 C=CCSc1c(cc(cc1Cl)N)F 62a_100000210623_100014833993 [0,3,0,0,0,0|0,1,0]=4 20411 B13R1.1601 C=CCSc1c(cc(cc1Cl)N)F 62a_100014833993_100000210623 [0,3,0,0,0,0|0,1,0]=4 20412 B13R1.1601 C=CCSc1c(cc(cc1F)Br)F 62a_100000210623_100009813614 [0,3,0,0,0,0|0,1,0]=4 20413 B13R1.1601 C=CCSc1c(cc(cc1F)Br)F 62a_100009813614_100000210623 [0,3,0,0,0,0|0,1,0]=4 20414 B13R1.1601 C=CCSc1c(cc(cc1F)C)F 62a_100000210623_100015306127 [0,3,0,0,0,0|0,1,0]=4 20415 B13R1.1601 C=CCSc1c(cc(cc1F)C)F 62a_100015306127_100000210623 [0,3,0,0,0,0|0,1,0]=4 20416 B13R1.1601 C=CCSc1c(cc(cc1F)C)N 62a_100000210623_100021129147 [0,3,0,0,0,0|0,1,0]=4 20417 B13R1.1601 C=CCSc1c(cc(cc1F)C)N 62a_100021129147_100000210623 [0,3,0,0,0,0|0,1,0]=4 20418 B13R1.1601 C=CCSc1c(cc(cc1F)Cl)N 62a_100000210623_200021297760 [0,3,0,0,0,0|0,1,0]=4 20419 B13R1.1601 C=CCSc1c(cc(cc1F)Cl)N 62a_200021297760_100000210623 [0,3,0,0,0,0|0,1,0]=4 20420 B13R1.1601 C=CCSc1c(cc(cc1F)F)C 62a_100000210623_100015332101 [0,3,0,0,0,0|0,1,0]=4 20421 B13R1.1601 C=CCSc1c(cc(cc1F)F)C 62a_100015332101_100000210623 [0,3,0,0,0,0|0,1,0]=4 20422 B13R1.1601 C=CCSc1c(cc(cc1F)F)F 62a_100000210623_100000243675 [0,3,0,0,0,0|0,1,0]=4 20423 B13R1.1601 C=CCSc1c(cc(cc1F)F)F 62a_100000243675_100000210623 [0,3,0,0,0,0|0,1,0]=4 20424 B13R1.1601 C=CCSc1c(cc(cc1F)F)N 62a_100000210623_100000716482 [0,3,0,0,0,0|0,1,0]=4 20425 B13R1.1601 C=CCSc1c(cc(cc1F)F)N 62a_100000716482_100000210623 [0,3,0,0,0,0|0,1,0]=4 20426 B13R1.1601 C=CCSc1c(cc(cc1F)F)O 62a_100000210623_100009815984 [0,3,0,0,0,0|0,1,0]=4 20427 B13R1.1601 C=CCSc1c(cc(cc1F)F)O 62a_100009815984_100000210623 [0,3,0,0,0,0|0,1,0]=4 20428 B13R1.1601 C=CCSc1c(cc(cc1F)N)C 62a_100000210623_100010115923 [0,3,0,0,0,0|0,1,0]=4 20429 B13R1.1601 C=CCSc1c(cc(cc1F)N)C 62a_100010115923_100000210623 [0,3,0,0,0,0|0,1,0]=4 20430 B13R1.1601 C=CCSc1c(cc(cc1F)N)F 62a_100000057532_100000210623 [0,3,0,0,0,0|0,1,0]=4 20431 B13R1.1601 C=CCSc1c(cc(cc1F)N)F 62a_100000210623_100000057532 [0,3,0,0,0,0|0,1,0]=4 20432 B13R1.1601 C=CCSc1c(cc(cc1F)O)F 62a_100000210623_100009816007 [0,3,0,0,0,0|0,1,0]=4 20433 B13R1.1601 C=CCSc1c(cc(cc1F)O)F 62a_100009816007_100000210623 [0,3,0,0,0,0|0,1,0]=4 20434 B13R1.1601 C=CCSc1c(cc(cc1N)Cl)C 62a_100000210623_100000698757 [0,3,0,0,0,0|0,1,0]=4 20435 B13R1.1601 C=CCSc1c(cc(cc1N)Cl)C 62a_100000698757_100000210623 [0,3,0,0,0,0|0,1,0]=4 20436 B13R1.1601 C=CCSc1c(cc(cc1O)C)C 62a_100000210623_100010342985 [0,3,0,0,0,0|0,1,0]=4 20437 B13R1.1601 C=CCSc1c(cc(cc1O)C)C 62a_100010342985_100000210623 [0,3,0,0,0,0|0,1,0]=4 20438 B13R1.1601 C=CCSc1c(cc(cc1O)Cl)C 62a_100000210623_100010254216 [0,3,0,0,0,0|0,1,0]=4 20439 B13R1.1601 C=CCSc1c(cc(cc1O)Cl)C 62a_100010254216_100000210623 [0,3,0,0,0,0|0,1,0]=4 20440 B13R1.1601 C=CCSc1c(cc(cc1O)O)O 62a_100000210623_200010341185 [0,3,0,0,0,0|0,1,0]=4 20441 B13R1.1601 Cc1cc(c(c(c1)Br)OCC=O)Br 34a_100000203795_200009817547 [0,3,0,0,0,0|1,0,0]=4 20442 B13R1.1601 Cc1cc(c(c(c1)Br)OCC=O)Br 7a_100000203795_200015260668 [0,3,0,0,0,0|1,0,0]=4 20443 B13R1.1601 Cc1cc(c(c(c1)Br)OCC=O)C 34a_100011934984_200009817547 [0,3,0,0,0,0|1,0,0]=4 20444 B13R1.1601 Cc1cc(c(c(c1)Br)OCC=O)C 7a_100011934984_200015260668 [0,3,0,0,0,0|1,0,0]=4 20445 B13R1.1601 Cc1cc(c(c(c1)Br)OCC=O)F 34a_200010713133_200009817547 [0,3,0,0,0,0|1,0,0]=4 20446 B13R1.1601 Cc1cc(c(c(c1)Br)OCC=O)F 7a_200010713133_200015260668 [0,3,0,0,0,0|1,0,0]=4 20447 B13R1.1601 Cc1cc(c(c(c1)C)OCC=O)C 34a_100000212074_200009817547 [0,3,0,0,0,0|1,0,0]=4 20448 B13R1.1601 Cc1cc(c(c(c1)C)OCC=O)C 7a_100000212074_200015260668 [0,3,0,0,0,0|1,0,0]=4 20449 B13R1.1601 Cc1cc(c(c(c1)Cl)OCC=O)Cl 34a_100000034925_200009817547 [0,3,0,0,0,0|1,0,0]=4 20450 B13R1.1601 Cc1cc(c(c(c1)Cl)OCC=O)Cl 7a_100000034925_200015260668 [0,3,0,0,0,0|1,0,0]=4 20451 B13R1.1601 Cc1cc(c(c(c1)I)OCC=O)F 34a_200135191068_200009817547 [0,3,0,0,0,0|1,0,0]=4 20452 B13R1.1601 Cc1cc(c(c(c1)I)OCC=O)F 7a_200135191068_200015260668 [0,3,0,0,0,0|1,0,0]=4 20453 B13R1.1601 Cc1cc(c(c(c1)N)OCC=O)C 34a_100011216242_200009817547 [0,3,0,0,0,0|1,0,0]=4 20454 B13R1.1601 Cc1cc(c(c(c1)N)OCC=O)C 7a_100011216242_200015260668 [0,3,0,0,0,0|1,0,0]=4 20455 B13R1.1601 Cc1cc(cc(c1OCC=O)Br)Br 34a_100000186369_200009817547 [0,3,0,0,0,0|1,0,0]=4 20456 B13R1.1601 Cc1cc(cc(c1OCC=O)Br)Br 7a_100000186369_200015260668 [0,3,0,0,0,0|1,0,0]=4 20457 B13R1.1601 Cc1cc(cc(c1OCC=O)Br)Cl 34a_100012337756_200009817547 [0,3,0,0,0,0|1,0,0]=4 20458 B13R1.1601 Cc1cc(cc(c1OCC=O)Br)Cl 7a_100012337756_200015260668 [0,3,0,0,0,0|1,0,0]=4 20459 B13R1.1601 Cc1cc(cc(c1OCC=O)Br)I 34a_100010982682_200009817547 [0,3,0,0,0,0|1,0,0]=4 20460 B13R1.1601 Cc1cc(cc(c1OCC=O)Br)I 7a_100010982682_200015260668 [0,3,0,0,0,0|1,0,0]=4 20461 B13R1.1601 Cc1cc(cc(c1OCC=O)Br)N 34a_100010064301_200009817547 [0,3,0,0,0,0|1,0,0]=4 20462 B13R1.1601 Cc1cc(cc(c1OCC=O)Br)N 7a_100010064301_200015260668 [0,3,0,0,0,0|1,0,0]=4 20463 B13R1.1601 Cc1cc(cc(c1OCC=O)C)Br 34a_100000187306_200009817547 [0,3,0,0,0,0|1,0,0]=4 20464 B13R1.1601 Cc1cc(cc(c1OCC=O)C)Br 7a_100000187306_200015260668 [0,3,0,0,0,0|1,0,0]=4 20465 B13R1.1601 Cc1cc(cc(c1OCC=O)C)Cl 34a_100000211519_200009817547 [0,3,0,0,0,0|1,0,0]=4 20466 B13R1.1601 Cc1cc(cc(c1OCC=O)C)Cl 7a_100000211519_200015260668 [0,3,0,0,0,0|1,0,0]=4 20467 B13R1.1601 Cc1cc(cc(c1OCC=O)C)F 34a_100000081862_200009817547 [0,3,0,0,0,0|1,0,0]=4 20468 B13R1.1601 Cc1cc(cc(c1OCC=O)C)F 7a_100000081862_200015260668 [0,3,0,0,0,0|1,0,0]=4 20469 B13R1.1601 Cc1cc(cc(c1OCC=O)C)I 34a_100011216129_200009817547 [0,3,0,0,0,0|1,0,0]=4 20470 B13R1.1601 Cc1cc(cc(c1OCC=O)C)I 7a_100011216129_200015260668 [0,3,0,0,0,0|1,0,0]=4 20471 B13R1.1601 Cc1cc(cc(c1OCC=O)C)N 34a_100000703291_200009817547 [0,3,0,0,0,0|1,0,0]=4 20472 B13R1.1601 Cc1cc(cc(c1OCC=O)C)N 7a_100000703291_200015260668 [0,3,0,0,0,0|1,0,0]=4 20473 B13R1.1601 Cc1cc(cc(c1OCC=O)Cl)Br 34a_100000211485_200009817547 [0,3,0,0,0,0|1,0,0]=4 20474 B13R1.1601 Cc1cc(cc(c1OCC=O)Cl)Br 7a_100000211485_200015260668 [0,3,0,0,0,0|1,0,0]=4 20475 B13R1.1601 Cc1cc(cc(c1OCC=O)Cl)Cl 34a_100011218458_200009817547 [0,3,0,0,0,0|1,0,0]=4 20476 B13R1.1601 Cc1cc(cc(c1OCC=O)Cl)Cl 7a_100011218458_200015260668 [0,3,0,0,0,0|1,0,0]=4 20477 B13R1.1601 Cc1cc(cc(c1OCC=O)Cl)I 34a_200015900153_200009817547 [0,3,0,0,0,0|1,0,0]=4 20478 B13R1.1601 Cc1cc(cc(c1OCC=O)Cl)I 7a_200015900153_200015260668 [0,3,0,0,0,0|1,0,0]=4 20479 B13R1.1601 Cc1cc(cc(c1OCC=O)I)Cl 34a_100012343667_200009817547 [0,3,0,0,0,0|1,0,0]=4 20480 B13R1.1601 Cc1cc(cc(c1OCC=O)I)Cl 7a_100012343667_200015260668 [0,3,0,0,0,0|1,0,0]=4 20481 B13R1.1601 Cc1cc(cc(c1OCC=O)N)Br 34a_100011825904_200009817547 [0,3,0,0,0,0|1,0,0]=4 20482 B13R1.1601 Cc1cc(cc(c1OCC=O)N)Br 7a_100011825904_200015260668 [0,3,0,0,0,0|1,0,0]=4 20483 B13R1.1601 Cc1cc(cc(c1OCC=O)N)F 34a_100000130126_200009817547 [0,3,0,0,0,0|1,0,0]=4 20484 B13R1.1601 Cc1cc(cc(c1OCC=O)N)F 7a_100000130126_200015260668 [0,3,0,0,0,0|1,0,0]=4 20485 B13R1.1601 Nc1cc(c(c(c1)Br)OCC=O)Br 34a_200000186426_200009817547 [0,3,0,0,0,0|1,0,0]=4 20486 B13R1.1601 Nc1cc(c(c(c1)Cl)OCC=O)Cl 34a_100000695418_200009817547 [0,3,0,0,0,0|1,0,0]=4 20487 B13R1.1601 Nc1cc(c(c(c1)Cl)OCC=O)Cl 7a_100000695418_200015260668 [0,3,0,0,0,0|1,0,0]=4 20488 B13R1.1601 Nc1cc(c(c(c1)F)OCC=O)F 34a_100016987357_200009817547 [0,3,0,0,0,0|1,0,0]=4 20489 B13R1.1601 Nc1cc(c(c(c1)F)OCC=O)F 7a_100016987357_200015260668 [0,3,0,0,0,0|1,0,0]=4 20490 B13R1.1601 Nc1cc(cc(c1OCC=O)Br)Br 34a_100010781877_200009817547 [0,3,0,0,0,0|1,0,0]=4 20491 B13R1.1601 Nc1cc(cc(c1OCC=O)Br)Br 7a_100010781877_200015260668 [0,3,0,0,0,0|1,0,0]=4 20492 B13R1.1601 Nc1cc(cc(c1OCC=O)Br)Cl 34a_106741647128_200009817547 [0,3,0,0,0,0|1,0,0]=4 20493 B13R1.1601 Nc1cc(cc(c1OCC=O)Br)Cl 7a_106741647128_200015260668 [0,3,0,0,0,0|1,0,0]=4 20494 B13R1.1601 Nc1cc(cc(c1OCC=O)Br)F 34a_200011217456_200009817547 [0,3,0,0,0,0|1,0,0]=4 20495 B13R1.1601 Nc1cc(cc(c1OCC=O)Br)F 7a_200011217456_200015260668 [0,3,0,0,0,0|1,0,0]=4 20496 B13R1.1601 Nc1cc(cc(c1OCC=O)Cl)Br 34a_100000694353_200009817547 [0,3,0,0,0,0|1,0,0]=4 20497 B13R1.1601 Nc1cc(cc(c1OCC=O)Cl)Br 7a_100000694353_200015260668 [0,3,0,0,0,0|1,0,0]=4 20498 B13R1.1601 Nc1cc(cc(c1OCC=O)Cl)Cl 34a_100000695819_200009817547 [0,3,0,0,0,0|1,0,0]=4 20499 B13R1.1601 Nc1cc(cc(c1OCC=O)Cl)Cl 7a_100000695819_200015260668 [0,3,0,0,0,0|1,0,0]=4 20500 B13R1.1601 Nc1cc(cc(c1OCC=O)F)Br 34a_100011217383_200009817547 [0,3,0,0,0,0|1,0,0]=4 20501 B13R1.1601 Nc1cc(cc(c1OCC=O)F)Br 7a_100011217383_200015260668 [0,3,0,0,0,0|1,0,0]=4 20502 B13R1.1601 Nc1cc(cc(c1OCC=O)F)F 34a_100015205836_200009817547 [0,3,0,0,0,0|1,0,0]=4 20503 B13R1.1601 Nc1cc(cc(c1OCC=O)F)F 7a_100015205836_200015260668 [0,3,0,0,0,0|1,0,0]=4 20504 B13R1.1601 Nc1cc(cc(c1OCC=O)I)Br 7a_100016071998_200015260668 [0,3,0,0,0,0|1,0,0]=4 20505 B13R1.1601 O=CCOc1c(cc(cc1Br)Br)Br 34a_100000210219_200009817547 [0,3,0,0,0,0|1,0,0]=4 20506 B13R1.1601 O=CCOc1c(cc(cc1Br)Br)Br 7a_100000210219_200015260668 [0,3,0,0,0,0|1,0,0]=4 20507 B13R1.1601 O=CCOc1c(cc(cc1Br)Br)Cl 34a_100012337755_200009817547 [0,3,0,0,0,0|1,0,0]=4 20508 B13R1.1601 O=CCOc1c(cc(cc1Br)Br)Cl 7a_100012337755_200015260668 [0,3,0,0,0,0|1,0,0]=4 20509 B13R1.1601 O=CCOc1c(cc(cc1Br)Br)F 34a_100011216695_200009817547 [0,3,0,0,0,0|1,0,0]=4 20510 B13R1.1601 O=CCOc1c(cc(cc1Br)Br)F 7a_100011216695_200015260668 [0,3,0,0,0,0|1,0,0]=4 20511 B13R1.1601 O=CCOc1c(cc(cc1Br)Cl)Br 34a_100012337757_200009817547 [0,3,0,0,0,0|1,0,0]=4 20512 B13R1.1601 O=CCOc1c(cc(cc1Br)Cl)Br 7a_100012337757_200015260668 [0,3,0,0,0,0|1,0,0]=4 20513 B13R1.1601 O=CCOc1c(cc(cc1Br)Cl)Cl 34a_200000243811_200009817547 [0,3,0,0,0,0|1,0,0]=4 20514 B13R1.1601 O=CCOc1c(cc(cc1Br)Cl)Cl 7a_200000243811_200015260668 [0,3,0,0,0,0|1,0,0]=4 20515 B13R1.1601 O=CCOc1c(cc(cc1Br)Cl)F 34a_100011830412_200009817547 [0,3,0,0,0,0|1,0,0]=4 20516 B13R1.1601 O=CCOc1c(cc(cc1Br)Cl)F 7a_100011830412_200015260668 [0,3,0,0,0,0|1,0,0]=4 20517 B13R1.1601 O=CCOc1c(cc(cc1Br)F)Br 34a_100011215434_200009817547 [0,3,0,0,0,0|1,0,0]=4 20518 B13R1.1601 O=CCOc1c(cc(cc1Br)F)Br 7a_100011215434_200015260668 [0,3,0,0,0,0|1,0,0]=4 20519 B13R1.1601 O=CCOc1c(cc(cc1Br)F)Cl 34a_100011830411_200009817547 [0,3,0,0,0,0|1,0,0]=4 20520 B13R1.1601 O=CCOc1c(cc(cc1Br)F)Cl 7a_100011830411_200015260668 [0,3,0,0,0,0|1,0,0]=4 20521 B13R1.1601 O=CCOc1c(cc(cc1Br)F)F 34a_100000688693_200009817547 [0,3,0,0,0,0|1,0,0]=4 20522 B13R1.1601 O=CCOc1c(cc(cc1Br)F)F 7a_100000688693_200015260668 [0,3,0,0,0,0|1,0,0]=4 20523 B13R1.1601 O=CCOc1c(cc(cc1Cl)Br)Cl 34a_100000753780_200009817547 [0,3,0,0,0,0|1,0,0]=4 20524 B13R1.1601 O=CCOc1c(cc(cc1Cl)Br)Cl 7a_100000753780_200015260668 [0,3,0,0,0,0|1,0,0]=4 20525 B13R1.1601 O=CCOc1c(cc(cc1Cl)Br)F 34a_100011216646_200009817547 [0,3,0,0,0,0|1,0,0]=4 20526 B13R1.1601 O=CCOc1c(cc(cc1Cl)Br)F 7a_100011216646_200015260668 [0,3,0,0,0,0|1,0,0]=4 20527 B13R1.1601 O=CCOc1c(cc(cc1Cl)Cl)Cl 34a_100000210218_200009817547 [0,3,0,0,0,0|1,0,0]=4 20528 B13R1.1601 O=CCOc1c(cc(cc1Cl)Cl)Cl 7a_100000210218_200015260668 [0,3,0,0,0,0|1,0,0]=4 20529 B13R1.1601 O=CCOc1c(cc(cc1Cl)F)Cl 34a_100011217724_200009817547 [0,3,0,0,0,0|1,0,0]=4 20530 B13R1.1601 O=CCOc1c(cc(cc1Cl)F)Cl 7a_100011217724_200015260668 [0,3,0,0,0,0|1,0,0]=4 20531 B13R1.1601 O=CCOc1c(cc(cc1Cl)F)F 34a_100011935252_200009817547 [0,3,0,0,0,0|1,0,0]=4 20532 B13R1.1601 O=CCOc1c(cc(cc1Cl)F)F 7a_100011935252_200015260668 [0,3,0,0,0,0|1,0,0]=4 20533 B13R1.1601 O=CCOc1c(cc(cc1Cl)I)Cl 7a_100012339652_200015260668 [0,3,0,0,0,0|1,0,0]=4 20534 B13R1.1601 O=CCOc1c(cc(cc1F)Br)F 34a_100011216917_200009817547 [0,3,0,0,0,0|1,0,0]=4 20535 B13R1.1601 O=CCOc1c(cc(cc1F)Br)F 7a_100011216917_200015260668 [0,3,0,0,0,0|1,0,0]=4 20536 B13R1.1601 O=CCOc1c(cc(cc1F)Cl)F 34a_100011830429_200009817547 [0,3,0,0,0,0|1,0,0]=4 20537 B13R1.1601 O=CCOc1c(cc(cc1F)Cl)F 7a_100011830429_200015260668 [0,3,0,0,0,0|1,0,0]=4 20538 B13R1.1601 O=CCOc1c(cc(cc1F)F)F 34a_100011218396_200009817547 [0,3,0,0,0,0|1,0,0]=4 20539 B13R1.1601 O=CCOc1c(cc(cc1F)F)F 7a_100011218396_200015260668 [0,3,0,0,0,0|1,0,0]=4 20540 B13R1.1601 O=CCOc1c(cc(cc1F)I)F 34a_200011830255_200009817547 [0,3,0,0,0,0|1,0,0]=4 20541 B13R1.1601 O=CCOc1c(cc(cc1F)I)F 7a_200011830255_200015260668 [0,3,0,0,0,0|1,0,0]=4 20542 B13R1.1601 O=CCOc1c(cc(cc1I)Br)F 34a_100013354677_200009817547 [0,3,0,0,0,0|1,0,0]=4 20543 B13R1.1601 O=CCOc1c(cc(cc1I)Br)F 7a_100013354677_200015260668 [0,3,0,0,0,0|1,0,0]=4 20544 B13R1.1601 O=CCOc1c(cc(cc1I)Br)I 7a_100009997433_200015260668 [0,3,0,0,0,0|1,0,0]=4 20545 B13R1.1601 O=CCOc1c(cc(cc1I)Cl)Cl 34a_200012339341_200009817547 [0,3,0,0,0,0|1,0,0]=4 20546 B13R1.1601 O=CCOc1c(cc(cc1I)Cl)Cl 7a_200012339341_200015260668 [0,3,0,0,0,0|1,0,0]=4 20547 B13R1.1601 O=CCOc1c(cc(cc1I)Cl)I 7a_100000730656_200015260668 [0,3,0,0,0,0|1,0,0]=4 20548 B13R1.1601 O=CCOc1c(cc(cc1I)F)Br 34a_200013085147_200009817547 [0,3,0,0,0,0|1,0,0]=4 20549 B13R1.1601 O=CCOc1c(cc(cc1I)F)Br 7a_200013085147_200015260668 [0,3,0,0,0,0|1,0,0]=4 20550 B13R1.1601 O=CCOc1c(cc(cc1I)F)F 34a_200013204775_200009817547 [0,3,0,0,0,0|1,0,0]=4 20551 B13R1.1601 O=CCOc1c(cc(cc1I)F)F 7a_200013204775_200015260668 [0,3,0,0,0,0|1,0,0]=4 20552 B13R1.1601 O=CCOc1c(cc(cc1I)I)Cl 7a_100009997439_200015260668 [0,3,0,0,0,0|1,0,0]=4 20553 B13R1.1601 O=CCOc1c(cc(cc1I)I)I 7a_100000210296_200015260668 [0,3,0,0,0,0|1,0,0]=4 20554 B13R1.1630 C=CCNc1cc(c(cc1Br)Br)Br 34a_100009998182_100015514636 [0,3,0,0,0,0|1,0,0]=4 20555 B13R1.1630 C=CCNc1cc(c(cc1Br)Br)Br 7a_100009998182_100015514636 [0,3,0,0,0,0|1,0,0]=4 20556 B13R1.1630 C=CCNc1cc(c(cc1Br)Br)C 34a_100009995518_100015514636 [0,3,0,0,0,0|1,0,0]=4 20557 B13R1.1630 C=CCNc1cc(c(cc1Br)Br)C 7a_100009995518_100015514636 [0,3,0,0,0,0|1,0,0]=4 20558 B13R1.1630 C=CCNc1cc(c(cc1Br)Br)F 34a_100010212202_100015514636 [0,3,0,0,0,0|1,0,0]=4 20559 B13R1.1630 C=CCNc1cc(c(cc1Br)Br)F 7a_100010212202_100015514636 [0,3,0,0,0,0|1,0,0]=4 20560 B13R1.1630 C=CCNc1cc(c(cc1Br)C)Br 34a_100012348304_100015514636 [0,3,0,0,0,0|1,0,0]=4 20561 B13R1.1630 C=CCNc1cc(c(cc1Br)C)Br 7a_100012348304_100015514636 [0,3,0,0,0,0|1,0,0]=4 20562 B13R1.1630 C=CCNc1cc(c(cc1Br)C)C 34a_100012337760_100015514636 [0,3,0,0,0,0|1,0,0]=4 20563 B13R1.1630 C=CCNc1cc(c(cc1Br)C)C 7a_100012337760_100015514636 [0,3,0,0,0,0|1,0,0]=4 20564 B13R1.1630 C=CCNc1cc(c(cc1Br)C)Cl 34a_100000702286_100015514636 [0,3,0,0,0,0|1,0,0]=4 20565 B13R1.1630 C=CCNc1cc(c(cc1Br)C)Cl 7a_100000702286_100015514636 [0,3,0,0,0,0|1,0,0]=4 20566 B13R1.1630 C=CCNc1cc(c(cc1Br)C)F 34a_100011218008_100015514636 [0,3,0,0,0,0|1,0,0]=4 20567 B13R1.1630 C=CCNc1cc(c(cc1Br)C)F 7a_100011218008_100015514636 [0,3,0,0,0,0|1,0,0]=4 20568 B13R1.1630 C=CCNc1cc(c(cc1Br)Cl)F 34a_100010254744_100015514636 [0,3,0,0,0,0|1,0,0]=4 20569 B13R1.1630 C=CCNc1cc(c(cc1Br)Cl)F 7a_100010254744_100015514636 [0,3,0,0,0,0|1,0,0]=4 20570 B13R1.1630 C=CCNc1cc(c(cc1Br)F)Br 34a_100010131408_100015514636 [0,3,0,0,0,0|1,0,0]=4 20571 B13R1.1630 C=CCNc1cc(c(cc1Br)F)Br 7a_100010131408_100015514636 [0,3,0,0,0,0|1,0,0]=4 20572 B13R1.1630 C=CCNc1cc(c(cc1Br)F)C 34a_100010233353_100015514636 [0,3,0,0,0,0|1,0,0]=4 20573 B13R1.1630 C=CCNc1cc(c(cc1Br)F)C 7a_100010233353_100015514636 [0,3,0,0,0,0|1,0,0]=4 20574 B13R1.1630 C=CCNc1cc(c(cc1Br)F)Cl 34a_100009817155_100015514636 [0,3,0,0,0,0|1,0,0]=4 20575 B13R1.1630 C=CCNc1cc(c(cc1Br)F)Cl 7a_100009817155_100015514636 [0,3,0,0,0,0|1,0,0]=4 20576 B13R1.1630 C=CCNc1cc(c(cc1Br)F)F 34a_100000690790_100015514636 [0,3,0,0,0,0|1,0,0]=4 20577 B13R1.1630 C=CCNc1cc(c(cc1Br)F)F 7a_100000690790_100015514636 [0,3,0,0,0,0|1,0,0]=4 20578 B13R1.1630 C=CCNc1cc(c(cc1Br)O)Br 34a_100011080774_100015514636 [0,3,0,0,0,0|1,0,0]=4 20579 B13R1.1630 C=CCNc1cc(c(cc1Br)O)Br 7a_100011080774_100015514636 [0,3,0,0,0,0|1,0,0]=4 20580 B13R1.1630 C=CCNc1cc(c(cc1C)Br)C 2230a_100011934712_100000210623 [0,3,0,0,0,0|1,0,0]=4 20581 B13R1.1630 C=CCNc1cc(c(cc1C)Br)C 34a_100011934712_100015514636 [0,3,0,0,0,0|1,0,0]=4 20582 B13R1.1630 C=CCNc1cc(c(cc1C)Br)C 7a_100011934712_100015514636 [0,3,0,0,0,0|1,0,0]=4 20583 B13R1.1630 C=CCNc1cc(c(cc1C)Br)Cl 2230a_100012353740_100000210623 [0,3,0,0,0,0|1,0,0]=4 20584 B13R1.1630 C=CCNc1cc(c(cc1C)Br)Cl 34a_100012353740_100015514636 [0,3,0,0,0,0|1,0,0]=4 20585 B13R1.1630 C=CCNc1cc(c(cc1C)Br)Cl 7a_100012353740_100015514636 [0,3,0,0,0,0|1,0,0]=4 20586 B13R1.1630 C=CCNc1cc(c(cc1C)Br)F 2230a_100000695870_100000210623 [0,3,0,0,0,0|1,0,0]=4 20587 B13R1.1630 C=CCNc1cc(c(cc1C)Br)F 34a_100000695870_100015514636 [0,3,0,0,0,0|1,0,0]=4 20588 B13R1.1630 C=CCNc1cc(c(cc1C)Br)F 7a_100000695870_100015514636 [0,3,0,0,0,0|1,0,0]=4 20589 B13R1.1630 C=CCNc1cc(c(cc1C)C)Br 2230a_100000703630_100000210623 [0,3,0,0,0,0|1,0,0]=4 20590 B13R1.1630 C=CCNc1cc(c(cc1C)C)Br 34a_100000703630_100015514636 [0,3,0,0,0,0|1,0,0]=4 20591 B13R1.1630 C=CCNc1cc(c(cc1C)C)Br 7a_100000703630_100015514636 [0,3,0,0,0,0|1,0,0]=4 20592 B13R1.1630 C=CCNc1cc(c(cc1C)C)C 2230a_100011217141_100000210623 [0,3,0,0,0,0|1,0,0]=4 20593 B13R1.1630 C=CCNc1cc(c(cc1C)C)C 34a_100011217141_100015514636 [0,3,0,0,0,0|1,0,0]=4 20594 B13R1.1630 C=CCNc1cc(c(cc1C)C)C 7a_100011217141_100015514636 [0,3,0,0,0,0|1,0,0]=4 20595 B13R1.1630 C=CCNc1cc(c(cc1C)Cl)Br 2230a_100010244688_100000210623 [0,3,0,0,0,0|1,0,0]=4 20596 B13R1.1630 C=CCNc1cc(c(cc1C)Cl)Br 34a_100010244688_100015514636 [0,3,0,0,0,0|1,0,0]=4 20597 B13R1.1630 C=CCNc1cc(c(cc1C)Cl)Br 7a_100010244688_100015514636 [0,3,0,0,0,0|1,0,0]=4 20598 B13R1.1630 C=CCNc1cc(c(cc1C)Cl)C 2230a_100011830454_100000210623 [0,3,0,0,0,0|1,0,0]=4 20599 B13R1.1630 C=CCNc1cc(c(cc1C)Cl)C 34a_100011830454_100015514636 [0,3,0,0,0,0|1,0,0]=4 20600 B13R1.1630 C=CCNc1cc(c(cc1C)Cl)C 7a_100011830454_100015514636 [0,3,0,0,0,0|1,0,0]=4 20601 B13R1.1630 C=CCNc1cc(c(cc1C)Cl)Cl 34a_100012017293_100015514636 [0,3,0,0,0,0|1,0,0]=4 20602 B13R1.1630 C=CCNc1cc(c(cc1C)Cl)Cl 7a_100012017293_100015514636 [0,3,0,0,0,0|1,0,0]=4 20603 B13R1.1630 C=CCNc1cc(c(cc1C)Cl)O 34a_100009961766_100015514636 [0,3,0,0,0,0|1,0,0]=4 20604 B13R1.1630 C=CCNc1cc(c(cc1C)Cl)O 7a_100009961766_100015514636 [0,3,0,0,0,0|1,0,0]=4 20605 B13R1.1630 C=CCNc1cc(c(cc1C)F)Br 2230a_100000717900_100000210623 [0,3,0,0,0,0|1,0,0]=4 20606 B13R1.1630 C=CCNc1cc(c(cc1C)F)Br 34a_100000717900_100015514636 [0,3,0,0,0,0|1,0,0]=4 20607 B13R1.1630 C=CCNc1cc(c(cc1C)F)Br 7a_100000717900_100015514636 [0,3,0,0,0,0|1,0,0]=4 20608 B13R1.1630 C=CCNc1cc(c(cc1C)F)Cl 2230a_100012017673_100000210623 [0,3,0,0,0,0|1,0,0]=4 20609 B13R1.1630 C=CCNc1cc(c(cc1C)F)Cl 34a_100012017673_100015514636 [0,3,0,0,0,0|1,0,0]=4 20610 B13R1.1630 C=CCNc1cc(c(cc1C)F)Cl 7a_100012017673_100015514636 [0,3,0,0,0,0|1,0,0]=4 20611 B13R1.1630 C=CCNc1cc(c(cc1C)F)F 2230a_100011830416_100000210623 [0,3,0,0,0,0|1,0,0]=4 20612 B13R1.1630 C=CCNc1cc(c(cc1C)F)F 34a_100011830416_100015514636 [0,3,0,0,0,0|1,0,0]=4 20613 B13R1.1630 C=CCNc1cc(c(cc1C)F)F 7a_100011830416_100015514636 [0,3,0,0,0,0|1,0,0]=4 20614 B13R1.1630 C=CCNc1cc(c(cc1C)I)F 34a_100010291052_100015514636 [0,3,0,0,0,0|1,0,0]=4 20615 B13R1.1630 C=CCNc1cc(c(cc1C)I)F 7a_100010291052_100015514636 [0,3,0,0,0,0|1,0,0]=4 20616 B13R1.1630 C=CCNc1cc(c(cc1C)O)C 34a_100000720036_100015514636 [0,3,0,0,0,0|1,0,0]=4 20617 B13R1.1630 C=CCNc1cc(c(cc1C)O)C 7a_100000720036_100015514636 [0,3,0,0,0,0|1,0,0]=4 20618 B13R1.1630 C=CCNc1cc(c(cc1Cl)Br)Cl 34a_100000246133_100015514636 [0,3,0,0,0,0|1,0,0]=4 20619 B13R1.1630 C=CCNc1cc(c(cc1Cl)Br)Cl 7a_100000246133_100015514636 [0,3,0,0,0,0|1,0,0]=4 20620 B13R1.1630 C=CCNc1cc(c(cc1Cl)Br)F 34a_100000688864_100015514636 [0,3,0,0,0,0|1,0,0]=4 20621 B13R1.1630 C=CCNc1cc(c(cc1Cl)Br)F 7a_100000688864_100015514636 [0,3,0,0,0,0|1,0,0]=4 20622 B13R1.1630 C=CCNc1cc(c(cc1Cl)C)C 34a_100012183282_100015514636 [0,3,0,0,0,0|1,0,0]=4 20623 B13R1.1630 C=CCNc1cc(c(cc1Cl)C)C 7a_100012183282_100015514636 [0,3,0,0,0,0|1,0,0]=4 20624 B13R1.1630 C=CCNc1cc(c(cc1Cl)C)O 34a_100000092876_100015514636 [0,3,0,0,0,0|1,0,0]=4 20625 B13R1.1630 C=CCNc1cc(c(cc1Cl)C)O 7a_100000092876_100015514636 [0,3,0,0,0,0|1,0,0]=4 20626 B13R1.1630 C=CCNc1cc(c(cc1Cl)Cl)Br 34a_200012360370_100015514636 [0,3,0,0,0,0|1,0,0]=4 20627 B13R1.1630 C=CCNc1cc(c(cc1Cl)Cl)Br 7a_200012360370_100015514636 [0,3,0,0,0,0|1,0,0]=4 20628 B13R1.1630 C=CCNc1cc(c(cc1Cl)Cl)C 34a_100012000392_100015514636 [0,3,0,0,0,0|1,0,0]=4 20629 B13R1.1630 C=CCNc1cc(c(cc1Cl)Cl)C 7a_100012000392_100015514636 [0,3,0,0,0,0|1,0,0]=4 20630 B13R1.1630 C=CCNc1cc(c(cc1Cl)Cl)Cl 34a_100000211015_100015514636 [0,3,0,0,0,0|1,0,0]=4 20631 B13R1.1630 C=CCNc1cc(c(cc1Cl)Cl)Cl 7a_100000211015_100015514636 [0,3,0,0,0,0|1,0,0]=4 20632 B13R1.1630 C=CCNc1cc(c(cc1Cl)Cl)F 34a_100012017157_100015514636 [0,3,0,0,0,0|1,0,0]=4 20633 B13R1.1630 C=CCNc1cc(c(cc1Cl)Cl)F 7a_100012017157_100015514636 [0,3,0,0,0,0|1,0,0]=4 20634 B13R1.1630 C=CCNc1cc(c(cc1Cl)Cl)I 7a_100016224655_100015514636 [0,3,0,0,0,0|1,0,0]=4 20635 B13R1.1630 C=CCNc1cc(c(cc1Cl)Cl)O 34a_100000037174_100015514636 [0,3,0,0,0,0|1,0,0]=4 20636 B13R1.1630 C=CCNc1cc(c(cc1Cl)Cl)O 7a_100000037174_100015514636 [0,3,0,0,0,0|1,0,0]=4 20637 B13R1.1630 C=CCNc1cc(c(cc1Cl)F)Br 34a_100000685351_100015514636 [0,3,0,0,0,0|1,0,0]=4 20638 B13R1.1630 C=CCNc1cc(c(cc1Cl)F)Br 7a_100000685351_100015514636 [0,3,0,0,0,0|1,0,0]=4 20639 B13R1.1630 C=CCNc1cc(c(cc1Cl)F)C 34a_100000729549_100015514636 [0,3,0,0,0,0|1,0,0]=4 20640 B13R1.1630 C=CCNc1cc(c(cc1Cl)F)C 7a_100000729549_100015514636 [0,3,0,0,0,0|1,0,0]=4 20641 B13R1.1630 C=CCNc1cc(c(cc1Cl)F)Cl 34a_100000085081_100015514636 [0,3,0,0,0,0|1,0,0]=4 20642 B13R1.1630 C=CCNc1cc(c(cc1Cl)F)Cl 7a_100000085081_100015514636 [0,3,0,0,0,0|1,0,0]=4 20643 B13R1.1630 C=CCNc1cc(c(cc1Cl)F)F 34a_100000766337_100015514636 [0,3,0,0,0,0|1,0,0]=4 20644 B13R1.1630 C=CCNc1cc(c(cc1Cl)F)F 7a_100000766337_100015514636 [0,3,0,0,0,0|1,0,0]=4 20645 B13R1.1630 C=CCNc1cc(c(cc1Cl)O)Cl 34a_100012000071_100015514636 [0,3,0,0,0,0|1,0,0]=4 20646 B13R1.1630 C=CCNc1cc(c(cc1Cl)O)Cl 7a_100012000071_100015514636 [0,3,0,0,0,0|1,0,0]=4 20647 B13R1.1630 C=CCNc1cc(c(cc1Cl)O)F 34a_100009886023_100015514636 [0,3,0,0,0,0|1,0,0]=4 20648 B13R1.1630 C=CCNc1cc(c(cc1Cl)O)F 7a_100009886023_100015514636 [0,3,0,0,0,0|1,0,0]=4 20649 B13R1.1630 C=CCNc1cc(c(cc1F)Br)Br 34a_200010212207_100015514636 [0,3,0,0,0,0|1,0,0]=4 20650 B13R1.1630 C=CCNc1cc(c(cc1F)Br)Br 7a_200010212207_100015514636 [0,3,0,0,0,0|1,0,0]=4 20651 B13R1.1630 C=CCNc1cc(c(cc1F)Br)C 2230a_100000691575_100000210623 [0,3,0,0,0,0|1,0,0]=4 20652 B13R1.1630 C=CCNc1cc(c(cc1F)Br)C 34a_100000691575_100015514636 [0,3,0,0,0,0|1,0,0]=4 20653 B13R1.1630 C=CCNc1cc(c(cc1F)Br)C 7a_100000691575_100015514636 [0,3,0,0,0,0|1,0,0]=4 20654 B13R1.1630 C=CCNc1cc(c(cc1F)Br)Cl 34a_100012356688_100015514636 [0,3,0,0,0,0|1,0,0]=4 20655 B13R1.1630 C=CCNc1cc(c(cc1F)Br)Cl 7a_100012356688_100015514636 [0,3,0,0,0,0|1,0,0]=4 20656 B13R1.1630 C=CCNc1cc(c(cc1F)Br)F 2230a_100000690247_100000210623 [0,3,0,0,0,0|1,0,0]=4 20657 B13R1.1630 C=CCNc1cc(c(cc1F)Br)F 34a_100000690247_100015514636 [0,3,0,0,0,0|1,0,0]=4 20658 B13R1.1630 C=CCNc1cc(c(cc1F)Br)F 7a_100000690247_100015514636 [0,3,0,0,0,0|1,0,0]=4 20659 B13R1.1630 C=CCNc1cc(c(cc1F)C)Br 2230a_100010239588_100000210623 [0,3,0,0,0,0|1,0,0]=4 20660 B13R1.1630 C=CCNc1cc(c(cc1F)C)Br 34a_100010239588_100015514636 [0,3,0,0,0,0|1,0,0]=4 20661 B13R1.1630 C=CCNc1cc(c(cc1F)C)Br 7a_100010239588_100015514636 [0,3,0,0,0,0|1,0,0]=4 20662 B13R1.1630 C=CCNc1cc(c(cc1F)C)F 2230a_100012002673_100000210623 [0,3,0,0,0,0|1,0,0]=4 20663 B13R1.1630 C=CCNc1cc(c(cc1F)C)F 34a_100012002673_100015514636 [0,3,0,0,0,0|1,0,0]=4 20664 B13R1.1630 C=CCNc1cc(c(cc1F)C)F 7a_100012002673_100015514636 [0,3,0,0,0,0|1,0,0]=4 20665 B13R1.1630 C=CCNc1cc(c(cc1F)C)I 34a_100011014115_100015514636 [0,3,0,0,0,0|1,0,0]=4 20666 B13R1.1630 C=CCNc1cc(c(cc1F)C)I 7a_100011014115_100015514636 [0,3,0,0,0,0|1,0,0]=4 20667 B13R1.1630 C=CCNc1cc(c(cc1F)C)O 34a_100000117193_100015514636 [0,3,0,0,0,0|1,0,0]=4 20668 B13R1.1630 C=CCNc1cc(c(cc1F)C)O 7a_100000117193_100015514636 [0,3,0,0,0,0|1,0,0]=4 20669 B13R1.1630 C=CCNc1cc(c(cc1F)Cl)Br 34a_100013023876_100015514636 [0,3,0,0,0,0|1,0,0]=4 20670 B13R1.1630 C=CCNc1cc(c(cc1F)Cl)Br 7a_100013023876_100015514636 [0,3,0,0,0,0|1,0,0]=4 20671 B13R1.1630 C=CCNc1cc(c(cc1F)Cl)C 34a_100000091823_100015514636 [0,3,0,0,0,0|1,0,0]=4 20672 B13R1.1630 C=CCNc1cc(c(cc1F)Cl)C 7a_100000091823_100015514636 [0,3,0,0,0,0|1,0,0]=4 20673 B13R1.1630 C=CCNc1cc(c(cc1F)Cl)Cl 34a_100000724578_100015514636 [0,3,0,0,0,0|1,0,0]=4 20674 B13R1.1630 C=CCNc1cc(c(cc1F)Cl)Cl 7a_100000724578_100015514636 [0,3,0,0,0,0|1,0,0]=4 20675 B13R1.1630 C=CCNc1cc(c(cc1F)Cl)F 34a_100011998097_100015514636 [0,3,0,0,0,0|1,0,0]=4 20676 B13R1.1630 C=CCNc1cc(c(cc1F)Cl)F 7a_100011998097_100015514636 [0,3,0,0,0,0|1,0,0]=4 20677 B13R1.1630 C=CCNc1cc(c(cc1F)Cl)O 34a_100000042052_100015514636 [0,3,0,0,0,0|1,0,0]=4 20678 B13R1.1630 C=CCNc1cc(c(cc1F)Cl)O 7a_100000042052_100015514636 [0,3,0,0,0,0|1,0,0]=4 20679 B13R1.1630 C=CCNc1cc(c(cc1F)F)Br 2230a_100000700208_100000210623 [0,3,0,0,0,0|1,0,0]=4 20680 B13R1.1630 C=CCNc1cc(c(cc1F)F)Br 34a_100000700208_100015514636 [0,3,0,0,0,0|1,0,0]=4 20681 B13R1.1630 C=CCNc1cc(c(cc1F)F)Br 7a_100000700208_100015514636 [0,3,0,0,0,0|1,0,0]=4 20682 B13R1.1630 C=CCNc1cc(c(cc1F)F)Cl 2230a_100011998096_100000210623 [0,3,0,0,0,0|1,0,0]=4 20683 B13R1.1630 C=CCNc1cc(c(cc1F)F)Cl 34a_100011998096_100015514636 [0,3,0,0,0,0|1,0,0]=4 20684 B13R1.1630 C=CCNc1cc(c(cc1F)F)Cl 7a_100011998096_100015514636 [0,3,0,0,0,0|1,0,0]=4 20685 B13R1.1630 C=CCNc1cc(c(cc1F)F)F 2230a_100000750162_100000210623 [0,3,0,0,0,0|1,0,0]=4 20686 B13R1.1630 C=CCNc1cc(c(cc1F)F)F 34a_100000750162_100015514636 [0,3,0,0,0,0|1,0,0]=4 20687 B13R1.1630 C=CCNc1cc(c(cc1F)F)F 7a_100000750162_100015514636 [0,3,0,0,0,0|1,0,0]=4 20688 B13R1.1630 C=CCNc1cc(c(cc1F)F)O 34a_100011219470_100015514636 [0,3,0,0,0,0|1,0,0]=4 20689 B13R1.1630 C=CCNc1cc(c(cc1F)F)O 7a_100011219470_100015514636 [0,3,0,0,0,0|1,0,0]=4 20690 B13R1.1630 C=CCNc1cc(c(cc1F)I)F 34a_100010185194_100015514636 [0,3,0,0,0,0|1,0,0]=4 20691 B13R1.1630 C=CCNc1cc(c(cc1F)I)F 7a_100010185194_100015514636 [0,3,0,0,0,0|1,0,0]=4 20692 B13R1.1630 C=CCNc1cc(c(cc1F)O)F 34a_100020635945_100015514636 [0,3,0,0,0,0|1,0,0]=4 20693 B13R1.1630 C=CCNc1cc(c(cc1F)O)F 7a_100020635945_100015514636 [0,3,0,0,0,0|1,0,0]=4 20694 B13R1.1630 C=CCNc1cc(c(cc1I)Br)F 34a_100010888672_100015514636 [0,3,0,0,0,0|1,0,0]=4 20695 B13R1.1630 C=CCNc1cc(c(cc1I)Br)F 7a_100010888672_100015514636 [0,3,0,0,0,0|1,0,0]=4 20696 B13R1.1630 C=CCNc1cc(c(cc1I)C)Br 34a_200015600912_100015514636 [0,3,0,0,0,0|1,0,0]=4 20697 B13R1.1630 C=CCNc1cc(c(cc1I)C)Br 7a_200015600912_100015514636 [0,3,0,0,0,0|1,0,0]=4 20698 B13R1.1630 C=CCNc1cc(c(cc1I)C)C 34a_100012353678_100015514636 [0,3,0,0,0,0|1,0,0]=4 20699 B13R1.1630 C=CCNc1cc(c(cc1I)C)C 7a_100012353678_100015514636 [0,3,0,0,0,0|1,0,0]=4 20700 B13R1.1630 C=CCNc1cc(c(cc1I)Cl)Cl 7a_200011093942_100015514636 [0,3,0,0,0,0|1,0,0]=4 20701 B13R1.1630 C=CCNc1cc(c(cc1I)Cl)F 34a_100010892166_100015514636 [0,3,0,0,0,0|1,0,0]=4 20702 B13R1.1630 C=CCNc1cc(c(cc1I)Cl)F 7a_100010892166_100015514636 [0,3,0,0,0,0|1,0,0]=4 20703 B13R1.1630 C=CCNc1cc(c(cc1I)F)Br 34a_200021016574_100015514636 [0,3,0,0,0,0|1,0,0]=4 20704 B13R1.1630 C=CCNc1cc(c(cc1I)F)Br 7a_200021016574_100015514636 [0,3,0,0,0,0|1,0,0]=4 20705 B13R1.1630 C=CCNc1cc(c(cc1I)F)C 34a_100010238302_100015514636 [0,3,0,0,0,0|1,0,0]=4 20706 B13R1.1630 C=CCNc1cc(c(cc1I)F)C 7a_100010238302_100015514636 [0,3,0,0,0,0|1,0,0]=4 20707 B13R1.1630 C=CCNc1cc(c(cc1I)F)Cl 34a_200010992381_100015514636 [0,3,0,0,0,0|1,0,0]=4 20708 B13R1.1630 C=CCNc1cc(c(cc1I)F)Cl 7a_200010992381_100015514636 [0,3,0,0,0,0|1,0,0]=4 20709 B13R1.1630 C=CCNc1cc(c(cc1I)F)F 34a_100000765032_100015514636 [0,3,0,0,0,0|1,0,0]=4 20710 B13R1.1630 C=CCNc1cc(c(cc1I)F)F 7a_100000765032_100015514636 [0,3,0,0,0,0|1,0,0]=4 20711 B13R1.1630 C=CCNc1cc(c(cc1O)Br)Br 7a_200010781931_100015514636 [0,3,0,0,0,0|1,0,0]=4 20712 B13R1.1630 C=CCNc1cc(c(cc1O)Br)C 34a_200010107346_100015514636 [0,3,0,0,0,0|1,0,0]=4 20713 B13R1.1630 C=CCNc1cc(c(cc1O)Br)F 34a_100013038943_100015514636 [0,3,0,0,0,0|1,0,0]=4 20714 B13R1.1630 C=CCNc1cc(c(cc1O)Br)F 7a_100013038943_100015514636 [0,3,0,0,0,0|1,0,0]=4 20715 B13R1.1630 C=CCNc1cc(c(cc1O)C)Br 34a_200010235796_100015514636 [0,3,0,0,0,0|1,0,0]=4 20716 B13R1.1630 C=CCNc1cc(c(cc1O)C)Br 7a_200010235796_100015514636 [0,3,0,0,0,0|1,0,0]=4 20717 B13R1.1630 C=CCNc1cc(c(cc1O)C)C 34a_100133014134_100015514636 [0,3,0,0,0,0|1,0,0]=4 20718 B13R1.1630 C=CCNc1cc(c(cc1O)C)C 7a_100133014134_100015514636 [0,3,0,0,0,0|1,0,0]=4 20719 B13R1.1630 C=CCNc1cc(c(cc1O)C)Cl 34a_100000091707_100015514636 [0,3,0,0,0,0|1,0,0]=4 20720 B13R1.1630 C=CCNc1cc(c(cc1O)Cl)Br 34a_100013488937_100015514636 [0,3,0,0,0,0|1,0,0]=4 20721 B13R1.1630 C=CCNc1cc(c(cc1O)Cl)Br 7a_100013488937_100015514636 [0,3,0,0,0,0|1,0,0]=4 20722 B13R1.1630 C=CCNc1cc(c(cc1O)Cl)Cl 34a_100000696747_100015514636 [0,3,0,0,0,0|1,0,0]=4 20723 B13R1.1630 C=CCNc1cc(c(cc1O)Cl)Cl 7a_100000696747_100015514636 [0,3,0,0,0,0|1,0,0]=4 20724 B13R1.1630 C=CCNc1cc(c(cc1O)F)Br 34a_100012359894_100015514636 [0,3,0,0,0,0|1,0,0]=4 20725 B13R1.1630 C=CCNc1cc(c(cc1O)F)Br 7a_100012359894_100015514636 [0,3,0,0,0,0|1,0,0]=4 20726 B13R1.1630 C=CCNc1cc(c(cc1O)F)C 34a_100012022779_100015514636 [0,3,0,0,0,0|1,0,0]=4 20727 B13R1.1630 C=CCNc1cc(c(cc1O)F)C 7a_100012022779_100015514636 [0,3,0,0,0,0|1,0,0]=4 20728 B13R1.1630 C=CCNc1cc(c(cc1O)F)F 2230a_106722365970_100000210623 [0,3,0,0,0,0|1,0,0]=4 20729 B13R1.1630 C=CCNc1cc(c(cc1O)F)F 34a_106722365970_100015514636 [0,3,0,0,0,0|1,0,0]=4 20730 B13R1.1630 C=CCNc1cc(c(cc1O)F)F 7a_106722365970_100015514636 [0,3,0,0,0,0|1,0,0]=4 20731 B13R1.1630 C=CCOc1cc(c(cc1Br)C)C 34a_100009814663_100015514636 [0,3,0,0,0,0|0,0,0]=3 20732 B13R1.1630 C=CCOc1cc(c(cc1Br)C)C 7a_100009814663_100015514636 [0,3,0,0,0,0|0,0,0]=3 20733 B13R1.1630 C=CCOc1cc(c(cc1Br)Cl)C 34a_100022700756_100015514636 [0,3,0,0,0,0|0,0,0]=3 20734 B13R1.1630 C=CCOc1cc(c(cc1Br)Cl)C 7a_100022700756_100015514636 [0,3,0,0,0,0|0,0,0]=3 20735 B13R1.1630 C=CCOc1cc(c(cc1Br)F)F 34a_100009813768_100015514636 [0,3,0,0,0,0|0,0,0]=3 20736 B13R1.1630 C=CCOc1cc(c(cc1Br)F)F 7a_100009813768_100015514636 [0,3,0,0,0,0|0,0,0]=3 20737 B13R1.1630 C=CCOc1cc(c(cc1Br)N)Br 34a_100011080774_100015514636 [0,3,0,0,0,0|0,0,0]=3 20738 B13R1.1630 C=CCOc1cc(c(cc1Br)N)Br 7a_100011080774_100015514636 [0,3,0,0,0,0|0,0,0]=3 20739 B13R1.1630 C=CCOc1cc(c(cc1C)Br)C 34a_100000698207_100015514636 [0,3,0,0,0,0|0,0,0]=3 20740 B13R1.1630 C=CCOc1cc(c(cc1C)Br)C 7a_100000698207_100015514636 [0,3,0,0,0,0|0,0,0]=3 20741 B13R1.1630 C=CCOc1cc(c(cc1C)C)C 34a_200000047129_100015514636 [0,3,0,0,0,0|0,0,0]=3 20742 B13R1.1630 C=CCOc1cc(c(cc1C)C)C 7a_200000047129_100015514636 [0,3,0,0,0,0|0,0,0]=3 20743 B13R1.1630 C=CCOc1cc(c(cc1C)Cl)N 34a_100000092876_100015514636 [0,3,0,0,0,0|0,0,0]=3 20744 B13R1.1630 C=CCOc1cc(c(cc1C)Cl)N 7a_100000092876_100015514636 [0,3,0,0,0,0|0,0,0]=3 20745 B13R1.1630 C=CCOc1cc(c(cc1C)F)Br 34a_100014242602_100015514636 [0,3,0,0,0,0|0,0,0]=3 20746 B13R1.1630 C=CCOc1cc(c(cc1C)F)Br 7a_100014242602_100015514636 [0,3,0,0,0,0|0,0,0]=3 20747 B13R1.1630 C=CCOc1cc(c(cc1C)F)C 34a_100010674473_100015514636 [0,3,0,0,0,0|0,0,0]=3 20748 B13R1.1630 C=CCOc1cc(c(cc1C)F)C 7a_100010674473_100015514636 [0,3,0,0,0,0|0,0,0]=3 20749 B13R1.1630 C=CCOc1cc(c(cc1C)F)F 34a_100000728840_100015514636 [0,3,0,0,0,0|0,0,0]=3 20750 B13R1.1630 C=CCOc1cc(c(cc1C)F)F 7a_100000728840_100015514636 [0,3,0,0,0,0|0,0,0]=3 20751 B13R1.1630 C=CCOc1cc(c(cc1C)F)I 34a_100010080512_100015514636 [0,3,0,0,0,0|0,0,0]=3 20752 B13R1.1630 C=CCOc1cc(c(cc1C)F)I 7a_100010080512_100015514636 [0,3,0,0,0,0|0,0,0]=3 20753 B13R1.1630 C=CCOc1cc(c(cc1C)F)N 34a_100000117193_100015514636 [0,3,0,0,0,0|0,0,0]=3 20754 B13R1.1630 C=CCOc1cc(c(cc1C)F)N 7a_100000117193_100015514636 [0,3,0,0,0,0|0,0,0]=3 20755 B13R1.1630 C=CCOc1cc(c(cc1C)I)C 34a_200011215153_100015514636 [0,3,0,0,0,0|0,0,0]=3 20756 B13R1.1630 C=CCOc1cc(c(cc1C)I)C 7a_200011215153_100015514636 [0,3,0,0,0,0|0,0,0]=3 20757 B13R1.1630 C=CCOc1cc(c(cc1C)N)C 34a_100000720036_100015514636 [0,3,0,0,0,0|0,0,0]=3 20758 B13R1.1630 C=CCOc1cc(c(cc1C)N)C 7a_100000720036_100015514636 [0,3,0,0,0,0|0,0,0]=3 20759 B13R1.1630 C=CCOc1cc(c(cc1Cl)Br)C 34a_200012350488_100015514636 [0,3,0,0,0,0|0,0,0]=3 20760 B13R1.1630 C=CCOc1cc(c(cc1Cl)Br)C 7a_200012350488_100015514636 [0,3,0,0,0,0|0,0,0]=3 20761 B13R1.1630 C=CCOc1cc(c(cc1Cl)Br)Cl 34a_100000719705_100015514636 [0,3,0,0,0,0|0,0,0]=3 20762 B13R1.1630 C=CCOc1cc(c(cc1Cl)Br)Cl 7a_100000719705_100015514636 [0,3,0,0,0,0|0,0,0]=3 20763 B13R1.1630 C=CCOc1cc(c(cc1Cl)Br)F 34a_100000726166_100015514636 [0,3,0,0,0,0|0,0,0]=3 20764 B13R1.1630 C=CCOc1cc(c(cc1Cl)Br)F 7a_100000726166_100015514636 [0,3,0,0,0,0|0,0,0]=3 20765 B13R1.1630 C=CCOc1cc(c(cc1Cl)Br)I 34a_100021297947_100015514636 [0,3,0,0,0,0|0,0,0]=3 20766 B13R1.1630 C=CCOc1cc(c(cc1Cl)Br)I 7a_100021297947_100015514636 [0,3,0,0,0,0|0,0,0]=3 20767 B13R1.1630 C=CCOc1cc(c(cc1Cl)C)C 34a_100000031796_100015514636 [0,3,0,0,0,0|0,0,0]=3 20768 B13R1.1630 C=CCOc1cc(c(cc1Cl)C)C 7a_100000031796_100015514636 [0,3,0,0,0,0|0,0,0]=3 20769 B13R1.1630 C=CCOc1cc(c(cc1Cl)C)N 34a_100009961766_100015514636 [0,3,0,0,0,0|0,0,0]=3 20770 B13R1.1630 C=CCOc1cc(c(cc1Cl)C)N 7a_100009961766_100015514636 [0,3,0,0,0,0|0,0,0]=3 20771 B13R1.1630 C=CCOc1cc(c(cc1Cl)Cl)Br 34a_100010203734_100015514636 [0,3,0,0,0,0|0,0,0]=3 20772 B13R1.1630 C=CCOc1cc(c(cc1Cl)Cl)Br 7a_100010203734_100015514636 [0,3,0,0,0,0|0,0,0]=3 20773 B13R1.1630 C=CCOc1cc(c(cc1Cl)Cl)C 34a_100012002691_100015514636 [0,3,0,0,0,0|0,0,0]=3 20774 B13R1.1630 C=CCOc1cc(c(cc1Cl)Cl)C 7a_100012002691_100015514636 [0,3,0,0,0,0|0,0,0]=3 20775 B13R1.1630 C=CCOc1cc(c(cc1Cl)Cl)Cl 34a_100000211312_100015514636 [0,3,0,0,0,0|0,0,0]=3 20776 B13R1.1630 C=CCOc1cc(c(cc1Cl)Cl)Cl 7a_100000211312_100015514636 [0,3,0,0,0,0|0,0,0]=3 20777 B13R1.1630 C=CCOc1cc(c(cc1Cl)Cl)N 34a_100000037174_100015514636 [0,3,0,0,0,0|0,0,0]=3 20778 B13R1.1630 C=CCOc1cc(c(cc1Cl)Cl)N 7a_100000037174_100015514636 [0,3,0,0,0,0|0,0,0]=3 20779 B13R1.1630 C=CCOc1cc(c(cc1Cl)F)Br 34a_100010189047_100015514636 [0,3,0,0,0,0|0,0,0]=3 20780 B13R1.1630 C=CCOc1cc(c(cc1Cl)F)Br 7a_100010189047_100015514636 [0,3,0,0,0,0|0,0,0]=3 20781 B13R1.1630 C=CCOc1cc(c(cc1Cl)F)F 34a_100009848785_100015514636 [0,3,0,0,0,0|0,0,0]=3 20782 B13R1.1630 C=CCOc1cc(c(cc1Cl)F)F 7a_100009848785_100015514636 [0,3,0,0,0,0|0,0,0]=3 20783 B13R1.1630 C=CCOc1cc(c(cc1Cl)F)I 34a_100010735246_100015514636 [0,3,0,0,0,0|0,0,0]=3 20784 B13R1.1630 C=CCOc1cc(c(cc1Cl)F)I 7a_100010735246_100015514636 [0,3,0,0,0,0|0,0,0]=3 20785 B13R1.1630 C=CCOc1cc(c(cc1Cl)F)N 34a_100000042052_100015514636 [0,3,0,0,0,0|0,0,0]=3 20786 B13R1.1630 C=CCOc1cc(c(cc1Cl)F)N 7a_100000042052_100015514636 [0,3,0,0,0,0|0,0,0]=3 20787 B13R1.1630 C=CCOc1cc(c(cc1Cl)N)Cl 34a_100012000071_100015514636 [0,3,0,0,0,0|0,0,0]=3 20788 B13R1.1630 C=CCOc1cc(c(cc1Cl)N)Cl 7a_100012000071_100015514636 [0,3,0,0,0,0|0,0,0]=3 20789 B13R1.1630 C=CCOc1cc(c(cc1F)Br)C 34a_100012355673_100015514636 [0,3,0,0,0,0|0,0,0]=3 20790 B13R1.1630 C=CCOc1cc(c(cc1F)Br)C 7a_100012355673_100015514636 [0,3,0,0,0,0|0,0,0]=3 20791 B13R1.1630 C=CCOc1cc(c(cc1F)Br)F 34a_100011830439_100015514636 [0,3,0,0,0,0|0,0,0]=3 20792 B13R1.1630 C=CCOc1cc(c(cc1F)Br)F 7a_100011830439_100015514636 [0,3,0,0,0,0|0,0,0]=3 20793 B13R1.1630 C=CCOc1cc(c(cc1F)C)Br 34a_100010068922_100015514636 [0,3,0,0,0,0|0,0,0]=3 20794 B13R1.1630 C=CCOc1cc(c(cc1F)C)Br 7a_100010068922_100015514636 [0,3,0,0,0,0|0,0,0]=3 20795 B13R1.1630 C=CCOc1cc(c(cc1F)F)Br 34a_100012457948_100015514636 [0,3,0,0,0,0|0,0,0]=3 20796 B13R1.1630 C=CCOc1cc(c(cc1F)F)Br 7a_100012457948_100015514636 [0,3,0,0,0,0|0,0,0]=3 20797 B13R1.1630 C=CCOc1cc(c(cc1F)F)F 34a_100000237555_100015514636 [0,3,0,0,0,0|0,0,0]=3 20798 B13R1.1630 C=CCOc1cc(c(cc1F)F)F 7a_100000237555_100015514636 [0,3,0,0,0,0|0,0,0]=3 20799 B13R1.1630 C=CCOc1cc(c(cc1F)F)I 34a_100015789030_100015514636 [0,3,0,0,0,0|0,0,0]=3 20800 B13R1.1630 C=CCOc1cc(c(cc1F)F)I 7a_100015789030_100015514636 [0,3,0,0,0,0|0,0,0]=3 20801 B13R1.1630 C=CCOc1cc(c(cc1F)F)N 34a_100011219470_100015514636 [0,3,0,0,0,0|0,0,0]=3 20802 B13R1.1630 C=CCOc1cc(c(cc1F)F)N 7a_100011219470_100015514636 [0,3,0,0,0,0|0,0,0]=3 20803 B13R1.1630 C=CCOc1cc(c(cc1F)N)Cl 34a_100009886023_100015514636 [0,3,0,0,0,0|0,0,0]=3 20804 B13R1.1630 C=CCOc1cc(c(cc1F)N)Cl 7a_100009886023_100015514636 [0,3,0,0,0,0|0,0,0]=3 20805 B13R1.1630 C=CCOc1cc(c(cc1F)N)F 34a_100020635945_100015514636 [0,3,0,0,0,0|0,0,0]=3 20806 B13R1.1630 C=CCOc1cc(c(cc1F)N)F 7a_100020635945_100015514636 [0,3,0,0,0,0|0,0,0]=3 20807 B13R1.1630 C=CCOc1cc(c(cc1I)F)F 34a_100010749349_100015514636 [0,3,0,0,0,0|0,0,0]=3 20808 B13R1.1630 C=CCOc1cc(c(cc1I)F)F 7a_100010749349_100015514636 [0,3,0,0,0,0|0,0,0]=3 20809 B13R1.1630 C=CCOc1cc(c(cc1N)Br)Br 34a_200010781931_100015514636 [0,3,0,0,0,0|0,0,0]=3 20810 B13R1.1630 C=CCOc1cc(c(cc1N)Br)Br 7a_200010781931_100015514636 [0,3,0,0,0,0|0,0,0]=3 20811 B13R1.1630 C=CCOc1cc(c(cc1N)Br)C 34a_200010235796_100015514636 [0,3,0,0,0,0|0,0,0]=3 20812 B13R1.1630 C=CCOc1cc(c(cc1N)Br)C 7a_200010235796_100015514636 [0,3,0,0,0,0|0,0,0]=3 20813 B13R1.1630 C=CCOc1cc(c(cc1N)Br)Cl 34a_100013488937_100015514636 [0,3,0,0,0,0|0,0,0]=3 20814 B13R1.1630 C=CCOc1cc(c(cc1N)Br)Cl 7a_100013488937_100015514636 [0,3,0,0,0,0|0,0,0]=3 20815 B13R1.1630 C=CCOc1cc(c(cc1N)Br)F 34a_100012359894_100015514636 [0,3,0,0,0,0|0,0,0]=3 20816 B13R1.1630 C=CCOc1cc(c(cc1N)Br)F 7a_100012359894_100015514636 [0,3,0,0,0,0|0,0,0]=3 20817 B13R1.1630 C=CCOc1cc(c(cc1N)C)Br 34a_200010107346_100015514636 [0,3,0,0,0,0|0,0,0]=3 20818 B13R1.1630 C=CCOc1cc(c(cc1N)C)Br 7a_200010107346_100015514636 [0,3,0,0,0,0|0,0,0]=3 20819 B13R1.1630 C=CCOc1cc(c(cc1N)C)C 34a_100133014134_100015514636 [0,3,0,0,0,0|0,0,0]=3 20820 B13R1.1630 C=CCOc1cc(c(cc1N)C)C 7a_100133014134_100015514636 [0,3,0,0,0,0|0,0,0]=3 20821 B13R1.1630 C=CCOc1cc(c(cc1N)C)F 34a_100012022779_100015514636 [0,3,0,0,0,0|0,0,0]=3 20822 B13R1.1630 C=CCOc1cc(c(cc1N)C)F 7a_100012022779_100015514636 [0,3,0,0,0,0|0,0,0]=3 20823 B13R1.1630 C=CCOc1cc(c(cc1N)Cl)C 34a_100000091707_100015514636 [0,3,0,0,0,0|0,0,0]=3 20824 B13R1.1630 C=CCOc1cc(c(cc1N)Cl)C 7a_100000091707_100015514636 [0,3,0,0,0,0|0,0,0]=3 20825 B13R1.1630 C=CCOc1cc(c(cc1N)Cl)Cl 34a_100000696747_100015514636 [0,3,0,0,0,0|0,0,0]=3 20826 B13R1.1630 C=CCOc1cc(c(cc1N)Cl)Cl 7a_100000696747_100015514636 [0,3,0,0,0,0|0,0,0]=3 20827 B13R1.1630 C=CCOc1cc(c(cc1N)F)Br 34a_100013038943_100015514636 [0,3,0,0,0,0|0,0,0]=3 20828 B13R1.1630 C=CCOc1cc(c(cc1N)F)Br 7a_100013038943_100015514636 [0,3,0,0,0,0|0,0,0]=3 20829 B13R1.1630 C=CCOc1cc(c(cc1N)F)F 34a_100011217416_100015514636 [0,3,0,0,0,0|0,0,0]=3 20830 B13R1.1630 C=CCOc1cc(c(cc1N)F)F 7a_100011217416_100015514636 [0,3,0,0,0,0|0,0,0]=3 20831 B13R1.1630 C=CCOc1cc(c(cc1N)I)Cl 34a_100011011175_100015514636 [0,3,0,0,0,0|0,0,0]=3 20832 B13R1.1630 C=CCOc1cc(c(cc1N)I)Cl 7a_100011011175_100015514636 [0,3,0,0,0,0|0,0,0]=3 20833 B13R1.1630 C=CCOc1cc(c(nc1N)Cl)Br 34a_100010136811_100015514636 [0,3,0,0,0,0|1,0,0]=4 20834 B13R1.1630 C=CCOc1cc(c(nc1N)Cl)Br 7a_100010136811_100015514636 [0,3,0,0,0,0|1,0,0]=4 20835 B13R1.1630 C=CCOc1nc(c(cc1Br)Cl)C 34a_200010749519_100015514636 [0,3,0,0,0,0|1,0,0]=4 20836 B13R1.1630 C=CCOc1nc(c(cc1Cl)Cl)Cl 34a_100011933978_100015514636 [0,3,0,0,0,0|1,0,0]=4 20837 B13R1.1630 C=CCOc1nc(c(cc1F)F)F 34a_100011934363_100015514636 [0,3,0,0,0,0|1,0,0]=4 20838 B13R1.1630 C=CCSc1cc(c(cc1Br)Br)Br 62a_100000210623_100010151546 [0,3,0,0,0,0|0,1,0]=4 20839 B13R1.1630 C=CCSc1cc(c(cc1Br)Br)Br 62a_100010151546_100000210623 [0,3,0,0,0,0|0,1,0]=4 20840 B13R1.1630 C=CCSc1cc(c(cc1Br)Br)F 62a_100000210623_200010212206 [0,3,0,0,0,0|0,1,0]=4 20841 B13R1.1630 C=CCSc1cc(c(cc1Br)Br)F 62a_200010212206_100000210623 [0,3,0,0,0,0|0,1,0]=4 20842 B13R1.1630 C=CCSc1cc(c(cc1Br)C)Br 62a_100000210623_100012929169 [0,3,0,0,0,0|0,1,0]=4 20843 B13R1.1630 C=CCSc1cc(c(cc1Br)C)Br 62a_100012929169_100000210623 [0,3,0,0,0,0|0,1,0]=4 20844 B13R1.1630 C=CCSc1cc(c(cc1Br)C)F 62a_100000210623_200009814774 [0,3,0,0,0,0|0,1,0]=4 20845 B13R1.1630 C=CCSc1cc(c(cc1Br)C)F 62a_200009814774_100000210623 [0,3,0,0,0,0|0,1,0]=4 20846 B13R1.1630 C=CCSc1cc(c(cc1Br)Cl)F 62a_100000210623_100010254745 [0,3,0,0,0,0|0,1,0]=4 20847 B13R1.1630 C=CCSc1cc(c(cc1Br)Cl)F 62a_100010254745_100000210623 [0,3,0,0,0,0|0,1,0]=4 20848 B13R1.1630 C=CCSc1cc(c(cc1Br)Cl)O 62a_100000210623_100021297947 [0,3,0,0,0,0|0,1,0]=4 20849 B13R1.1630 C=CCSc1cc(c(cc1Br)Cl)O 62a_100021297947_100000210623 [0,3,0,0,0,0|0,1,0]=4 20850 B13R1.1630 C=CCSc1cc(c(cc1Br)F)C 62a_100000210623_200009814773 [0,3,0,0,0,0|0,1,0]=4 20851 B13R1.1630 C=CCSc1cc(c(cc1Br)F)C 62a_200009814773_100000210623 [0,3,0,0,0,0|0,1,0]=4 20852 B13R1.1630 C=CCSc1cc(c(cc1Br)F)F 62a_100000210623_100010259568 [0,3,0,0,0,0|0,1,0]=4 20853 B13R1.1630 C=CCSc1cc(c(cc1Br)F)F 62a_100010259568_100000210623 [0,3,0,0,0,0|0,1,0]=4 20854 B13R1.1630 C=CCSc1cc(c(cc1C)Br)C 62a_100000210623_100011356911 [0,3,0,0,0,0|0,1,0]=4 20855 B13R1.1630 C=CCSc1cc(c(cc1C)Br)C 62a_100011356911_100000210623 [0,3,0,0,0,0|0,1,0]=4 20856 B13R1.1630 C=CCSc1cc(c(cc1C)Br)Cl 62a_100000210623_200009814780 [0,3,0,0,0,0|0,1,0]=4 20857 B13R1.1630 C=CCSc1cc(c(cc1C)Br)Cl 62a_200009814780_100000210623 [0,3,0,0,0,0|0,1,0]=4 20858 B13R1.1630 C=CCSc1cc(c(cc1C)Br)F 62a_100000210623_100011356895 [0,3,0,0,0,0|0,1,0]=4 20859 B13R1.1630 C=CCSc1cc(c(cc1C)Br)F 62a_100011356895_100000210623 [0,3,0,0,0,0|0,1,0]=4 20860 B13R1.1630 C=CCSc1cc(c(cc1C)C)C 62a_100000210623_100000759388 [0,3,0,0,0,0|0,1,0]=4 20861 B13R1.1630 C=CCSc1cc(c(cc1C)C)C 62a_100000759388_100000210623 [0,3,0,0,0,0|0,1,0]=4 20862 B13R1.1630 C=CCSc1cc(c(cc1C)C)N 62a_100000210623_100000703630 [0,3,0,0,0,0|0,1,0]=4 20863 B13R1.1630 C=CCSc1cc(c(cc1C)C)N 62a_100000703630_100000210623 [0,3,0,0,0,0|0,1,0]=4 20864 B13R1.1630 C=CCSc1cc(c(cc1C)Cl)C 62a_100000210623_100012357408 [0,3,0,0,0,0|0,1,0]=4 20865 B13R1.1630 C=CCSc1cc(c(cc1C)Cl)C 62a_100012357408_100000210623 [0,3,0,0,0,0|0,1,0]=4 20866 B13R1.1630 C=CCSc1cc(c(cc1C)F)Br 62a_100000210623_100011216669 [0,3,0,0,0,0|0,1,0]=4 20867 B13R1.1630 C=CCSc1cc(c(cc1C)F)Br 62a_100011216669_100000210623 [0,3,0,0,0,0|0,1,0]=4 20868 B13R1.1630 C=CCSc1cc(c(cc1C)F)C 62a_100000210623_100010212296 [0,3,0,0,0,0|0,1,0]=4 20869 B13R1.1630 C=CCSc1cc(c(cc1C)F)C 62a_100010212296_100000210623 [0,3,0,0,0,0|0,1,0]=4 20870 B13R1.1630 C=CCSc1cc(c(cc1C)F)F 62a_100000210623_100009815990 [0,3,0,0,0,0|0,1,0]=4 20871 B13R1.1630 C=CCSc1cc(c(cc1C)F)F 62a_100009815990_100000210623 [0,3,0,0,0,0|0,1,0]=4 20872 B13R1.1630 C=CCSc1cc(c(cc1C)F)N 62a_100000210623_100011014115 [0,3,0,0,0,0|0,1,0]=4 20873 B13R1.1630 C=CCSc1cc(c(cc1C)F)N 62a_100011014115_100000210623 [0,3,0,0,0,0|0,1,0]=4 20874 B13R1.1630 C=CCSc1cc(c(cc1C)F)O 62a_100000210623_100010068922 [0,3,0,0,0,0|0,1,0]=4 20875 B13R1.1630 C=CCSc1cc(c(cc1C)F)O 62a_100010068922_100000210623 [0,3,0,0,0,0|0,1,0]=4 20876 B13R1.1630 C=CCSc1cc(c(cc1C)N)C 62a_100000210623_100011934712 [0,3,0,0,0,0|0,1,0]=4 20877 B13R1.1630 C=CCSc1cc(c(cc1C)N)C 62a_100011934712_100000210623 [0,3,0,0,0,0|0,1,0]=4 20878 B13R1.1630 C=CCSc1cc(c(cc1C)N)F 62a_100000210623_100000691575 [0,3,0,0,0,0|0,1,0]=4 20879 B13R1.1630 C=CCSc1cc(c(cc1C)N)F 62a_100000691575_100000210623 [0,3,0,0,0,0|0,1,0]=4 20880 B13R1.1630 C=CCSc1cc(c(cc1C)N)N 62a_100000210623_100010080480 [0,3,0,0,0,0|0,1,0]=4 20881 B13R1.1630 C=CCSc1cc(c(cc1C)N)N 62a_100010080480_100000210623 [0,3,0,0,0,0|0,1,0]=4 20882 B13R1.1630 C=CCSc1cc(c(cc1C)N)O 62a_100000210623_200010107346 [0,3,0,0,0,0|0,1,0]=4 20883 B13R1.1630 C=CCSc1cc(c(cc1C)N)O 62a_200010107346_100000210623 [0,3,0,0,0,0|0,1,0]=4 20884 B13R1.1630 C=CCSc1cc(c(cc1C)O)C 62a_100000210623_100000698207 [0,3,0,0,0,0|0,1,0]=4 20885 B13R1.1630 C=CCSc1cc(c(cc1C)O)C 62a_100000698207_100000210623 [0,3,0,0,0,0|0,1,0]=4 20886 B13R1.1630 C=CCSc1cc(c(cc1C)O)F 62a_100000210623_100012355673 [0,3,0,0,0,0|0,1,0]=4 20887 B13R1.1630 C=CCSc1cc(c(cc1C)O)F 62a_100012355673_100000210623 [0,3,0,0,0,0|0,1,0]=4 20888 B13R1.1630 C=CCSc1cc(c(cc1C)O)N 62a_100000210623_200010235796 [0,3,0,0,0,0|0,1,0]=4 20889 B13R1.1630 C=CCSc1cc(c(cc1C)O)N 62a_200010235796_100000210623 [0,3,0,0,0,0|0,1,0]=4 20890 B13R1.1630 C=CCSc1cc(c(cc1Cl)Br)C 62a_100000210623_100010259621 [0,3,0,0,0,0|0,1,0]=4 20891 B13R1.1630 C=CCSc1cc(c(cc1Cl)Br)C 62a_100010259621_100000210623 [0,3,0,0,0,0|0,1,0]=4 20892 B13R1.1630 C=CCSc1cc(c(cc1Cl)Br)Cl 62a_100000210623_200010244590 [0,3,0,0,0,0|0,1,0]=4 20893 B13R1.1630 C=CCSc1cc(c(cc1Cl)Br)Cl 62a_200010244590_100000210623 [0,3,0,0,0,0|0,1,0]=4 20894 B13R1.1630 C=CCSc1cc(c(cc1Cl)Br)F 62a_100000210623_100010212230 [0,3,0,0,0,0|0,1,0]=4 20895 B13R1.1630 C=CCSc1cc(c(cc1Cl)Br)F 62a_100010212230_100000210623 [0,3,0,0,0,0|0,1,0]=4 20896 B13R1.1630 C=CCSc1cc(c(cc1Cl)Cl)Cl 62a_100000210623_200011216203 [0,3,0,0,0,0|0,1,0]=4 20897 B13R1.1630 C=CCSc1cc(c(cc1Cl)Cl)Cl 62a_200011216203_100000210623 [0,3,0,0,0,0|0,1,0]=4 20898 B13R1.1630 C=CCSc1cc(c(cc1Cl)Cl)N 62a_100000210623_100016224655 [0,3,0,0,0,0|0,1,0]=4 20899 B13R1.1630 C=CCSc1cc(c(cc1Cl)Cl)N 62a_100016224655_100000210623 [0,3,0,0,0,0|0,1,0]=4 20900 B13R1.1630 C=CCSc1cc(c(cc1Cl)F)F 62a_100000210623_100012349977 [0,3,0,0,0,0|0,1,0]=4 20901 B13R1.1630 C=CCSc1cc(c(cc1Cl)F)F 62a_100012349977_100000210623 [0,3,0,0,0,0|0,1,0]=4 20902 B13R1.1630 C=CCSc1cc(c(cc1Cl)O)N 62a_100000210623_100011011175 [0,3,0,0,0,0|0,1,0]=4 20903 B13R1.1630 C=CCSc1cc(c(cc1Cl)O)N 62a_100011011175_100000210623 [0,3,0,0,0,0|0,1,0]=4 20904 B13R1.1630 C=CCSc1cc(c(cc1F)Br)Br 62a_100000210623_200010212210 [0,3,0,0,0,0|0,1,0]=4 20905 B13R1.1630 C=CCSc1cc(c(cc1F)Br)Br 62a_200010212210_100000210623 [0,3,0,0,0,0|0,1,0]=4 20906 B13R1.1630 C=CCSc1cc(c(cc1F)Br)C 62a_100000210623_200009814772 [0,3,0,0,0,0|0,1,0]=4 20907 B13R1.1630 C=CCSc1cc(c(cc1F)Br)C 62a_200009814772_100000210623 [0,3,0,0,0,0|0,1,0]=4 20908 B13R1.1630 C=CCSc1cc(c(cc1F)Br)F 62a_100000210623_100011356857 [0,3,0,0,0,0|0,1,0]=4 20909 B13R1.1630 C=CCSc1cc(c(cc1F)Br)F 62a_100011356857_100000210623 [0,3,0,0,0,0|0,1,0]=4 20910 B13R1.1630 C=CCSc1cc(c(cc1F)C)Br 62a_100000210623_100011068846 [0,3,0,0,0,0|0,1,0]=4 20911 B13R1.1630 C=CCSc1cc(c(cc1F)C)Br 62a_100011068846_100000210623 [0,3,0,0,0,0|0,1,0]=4 20912 B13R1.1630 C=CCSc1cc(c(cc1F)C)C 62a_100000210623_100010197417 [0,3,0,0,0,0|0,1,0]=4 20913 B13R1.1630 C=CCSc1cc(c(cc1F)C)C 62a_100010197417_100000210623 [0,3,0,0,0,0|0,1,0]=4 20914 B13R1.1630 C=CCSc1cc(c(cc1F)C)F 62a_100000210623_100011219510 [0,3,0,0,0,0|0,1,0]=4 20915 B13R1.1630 C=CCSc1cc(c(cc1F)C)F 62a_100011219510_100000210623 [0,3,0,0,0,0|0,1,0]=4 20916 B13R1.1630 C=CCSc1cc(c(cc1F)C)N 62a_100000210623_100000717900 [0,3,0,0,0,0|0,1,0]=4 20917 B13R1.1630 C=CCSc1cc(c(cc1F)C)N 62a_100000717900_100000210623 [0,3,0,0,0,0|0,1,0]=4 20918 B13R1.1630 C=CCSc1cc(c(cc1F)C)O 62a_100000210623_100014242602 [0,3,0,0,0,0|0,1,0]=4 20919 B13R1.1630 C=CCSc1cc(c(cc1F)C)O 62a_100014242602_100000210623 [0,3,0,0,0,0|0,1,0]=4 20920 B13R1.1630 C=CCSc1cc(c(cc1F)Cl)F 62a_100000210623_100010142863 [0,3,0,0,0,0|0,1,0]=4 20921 B13R1.1630 C=CCSc1cc(c(cc1F)Cl)F 62a_100010142863_100000210623 [0,3,0,0,0,0|0,1,0]=4 20922 B13R1.1630 C=CCSc1cc(c(cc1F)Cl)O 62a_100000210623_100010735246 [0,3,0,0,0,0|0,1,0]=4 20923 B13R1.1630 C=CCSc1cc(c(cc1F)Cl)O 62a_100010735246_100000210623 [0,3,0,0,0,0|0,1,0]=4 20924 B13R1.1630 C=CCSc1cc(c(cc1F)F)Br 62a_100000210623_100011356914 [0,3,0,0,0,0|0,1,0]=4 20925 B13R1.1630 C=CCSc1cc(c(cc1F)F)Br 62a_100011356914_100000210623 [0,3,0,0,0,0|0,1,0]=4 20926 B13R1.1630 C=CCSc1cc(c(cc1F)F)C 62a_100000210623_100000692463 [0,3,0,0,0,0|0,1,0]=4 20927 B13R1.1630 C=CCSc1cc(c(cc1F)F)C 62a_100000692463_100000210623 [0,3,0,0,0,0|0,1,0]=4 20928 B13R1.1630 C=CCSc1cc(c(cc1F)F)F 62a_100000210623_100011756838 [0,3,0,0,0,0|0,1,0]=4 20929 B13R1.1630 C=CCSc1cc(c(cc1F)F)F 62a_100011756838_100000210623 [0,3,0,0,0,0|0,1,0]=4 20930 B13R1.1630 C=CCSc1cc(c(cc1F)F)N 62a_100000210623_100000700208 [0,3,0,0,0,0|0,1,0]=4 20931 B13R1.1630 C=CCSc1cc(c(cc1F)F)N 62a_100000700208_100000210623 [0,3,0,0,0,0|0,1,0]=4 20932 B13R1.1630 C=CCSc1cc(c(cc1F)F)O 62a_100000210623_100012457948 [0,3,0,0,0,0|0,1,0]=4 20933 B13R1.1630 C=CCSc1cc(c(cc1F)F)O 62a_100012457948_100000210623 [0,3,0,0,0,0|0,1,0]=4 20934 B13R1.1630 C=CCSc1cc(c(cc1F)N)C 62a_100000210623_100000695870 [0,3,0,0,0,0|0,1,0]=4 20935 B13R1.1630 C=CCSc1cc(c(cc1F)N)C 62a_100000695870_100000210623 [0,3,0,0,0,0|0,1,0]=4 20936 B13R1.1630 C=CCSc1cc(c(cc1F)N)F 62a_100000210623_100000690247 [0,3,0,0,0,0|0,1,0]=4 20937 B13R1.1630 C=CCSc1cc(c(cc1F)N)F 62a_100000690247_100000210623 [0,3,0,0,0,0|0,1,0]=4 20938 B13R1.1630 C=CCSc1cc(c(cc1F)N)N 62a_100000210623_100000766667 [0,3,0,0,0,0|0,1,0]=4 20939 B13R1.1630 C=CCSc1cc(c(cc1F)N)N 62a_100000766667_100000210623 [0,3,0,0,0,0|0,1,0]=4 20940 B13R1.1630 C=CCSc1cc(c(cc1F)N)O 62a_100000210623_100013038943 [0,3,0,0,0,0|0,1,0]=4 20941 B13R1.1630 C=CCSc1cc(c(cc1F)N)O 62a_100013038943_100000210623 [0,3,0,0,0,0|0,1,0]=4 20942 B13R1.1630 C=CCSc1cc(c(cc1F)O)F 62a_100000210623_100011830439 [0,3,0,0,0,0|0,1,0]=4 20943 B13R1.1630 C=CCSc1cc(c(cc1F)O)F 62a_100011830439_100000210623 [0,3,0,0,0,0|0,1,0]=4 20944 B13R1.1630 C=CCSc1cc(c(cc1F)O)N 62a_100000210623_100012359894 [0,3,0,0,0,0|0,1,0]=4 20945 B13R1.1630 C=CCSc1cc(c(cc1F)O)N 62a_100012359894_100000210623 [0,3,0,0,0,0|0,1,0]=4 20946 B13R1.1630 C=CCSc1cc(c(cc1N)Br)C 62a_100000210623_200015600912 [0,3,0,0,0,0|0,1,0]=4 20947 B13R1.1630 C=CCSc1cc(c(cc1N)Br)C 62a_200015600912_100000210623 [0,3,0,0,0,0|0,1,0]=4 20948 B13R1.1630 C=CCSc1cc(c(cc1N)Br)F 62a_100000210623_200021016574 [0,3,0,0,0,0|0,1,0]=4 20949 B13R1.1630 C=CCSc1cc(c(cc1N)Br)F 62a_200021016574_100000210623 [0,3,0,0,0,0|0,1,0]=4 20950 B13R1.1630 C=CCSc1cc(c(cc1N)C)C 62a_100000210623_100012337760 [0,3,0,0,0,0|0,1,0]=4 20951 B13R1.1630 C=CCSc1cc(c(cc1N)C)C 62a_100012337760_100000210623 [0,3,0,0,0,0|0,1,0]=4 20952 B13R1.1630 C=CCSc1cc(c(cc1N)C)F 62a_100000210623_100010233353 [0,3,0,0,0,0|0,1,0]=4 20953 B13R1.1630 C=CCSc1cc(c(cc1N)C)F 62a_100010233353_100000210623 [0,3,0,0,0,0|0,1,0]=4 20954 B13R1.1630 C=CCSc1cc(c(cc1N)Cl)Cl 62a_100000210623_200011093942 [0,3,0,0,0,0|0,1,0]=4 20955 B13R1.1630 C=CCSc1cc(c(cc1N)Cl)Cl 62a_200011093942_100000210623 [0,3,0,0,0,0|0,1,0]=4 20956 B13R1.1630 C=CCSc1cc(c(cc1N)Cl)F 62a_100000210623_200010992381 [0,3,0,0,0,0|0,1,0]=4 20957 B13R1.1630 C=CCSc1cc(c(cc1N)Cl)F 62a_200010992381_100000210623 [0,3,0,0,0,0|0,1,0]=4 20958 B13R1.1630 C=CCSc1cc(c(cc1N)F)Br 62a_100000210623_100010888672 [0,3,0,0,0,0|0,1,0]=4 20959 B13R1.1630 C=CCSc1cc(c(cc1N)F)Br 62a_100010888672_100000210623 [0,3,0,0,0,0|0,1,0]=4 20960 B13R1.1630 C=CCSc1cc(c(cc1N)F)C 62a_100000210623_100011218008 [0,3,0,0,0,0|0,1,0]=4 20961 B13R1.1630 C=CCSc1cc(c(cc1N)F)C 62a_100011218008_100000210623 [0,3,0,0,0,0|0,1,0]=4 20962 B13R1.1630 C=CCSc1cc(c(cc1N)F)Cl 62a_100000210623_100010892166 [0,3,0,0,0,0|0,1,0]=4 20963 B13R1.1630 C=CCSc1cc(c(cc1N)F)Cl 62a_100010892166_100000210623 [0,3,0,0,0,0|0,1,0]=4 20964 B13R1.1630 C=CCSc1cc(c(cc1N)F)F 62a_100000210623_100000765032 [0,3,0,0,0,0|0,1,0]=4 20965 B13R1.1630 C=CCSc1cc(c(cc1N)F)F 62a_100000765032_100000210623 [0,3,0,0,0,0|0,1,0]=4 20966 B13R1.1630 C=CCSc1cc(c(cc1N)N)C 62a_100000210623_200013038441 [0,3,0,0,0,0|0,1,0]=4 20967 B13R1.1630 C=CCSc1cc(c(cc1N)N)C 62a_200013038441_100000210623 [0,3,0,0,0,0|0,1,0]=4 20968 B13R1.1630 C=CCSc1cc(c(cc1N)N)F 62a_100000210623_200010115645 [0,3,0,0,0,0|0,1,0]=4 20969 B13R1.1630 C=CCSc1cc(c(cc1N)N)F 62a_200010115645_100000210623 [0,3,0,0,0,0|0,1,0]=4 20970 B13R1.1630 C=CCSc1cc(c(cc1O)C)C 62a_100000210623_100009814663 [0,3,0,0,0,0|0,1,0]=4 20971 B13R1.1630 C=CCSc1cc(c(cc1O)C)C 62a_100009814663_100000210623 [0,3,0,0,0,0|0,1,0]=4 20972 B13R1.1630 C=CCSc1cc(c(cc1O)F)F 62a_100000210623_100009813768 [0,3,0,0,0,0|0,1,0]=4 20973 B13R1.1630 C=CCSc1cc(c(cc1O)F)F 62a_100009813768_100000210623 [0,3,0,0,0,0|0,1,0]=4 20974 B13R1.1630 Cc1cc(c(cc1Br)C)OCC=O 34a_100000698207_200009817547 [0,3,0,0,0,0|1,0,0]=4 20975 B13R1.1630 Cc1cc(c(cc1Br)C)OCC=O 7a_100000698207_200015260668 [0,3,0,0,0,0|1,0,0]=4 20976 B13R1.1630 Cc1cc(c(cc1Br)Cl)OCC=O 34a_200012350488_200009817547 [0,3,0,0,0,0|1,0,0]=4 20977 B13R1.1630 Cc1cc(c(cc1Br)Cl)OCC=O 7a_200012350488_200015260668 [0,3,0,0,0,0|1,0,0]=4 20978 B13R1.1630 Cc1cc(c(cc1Br)F)OCC=O 34a_100012355673_200009817547 [0,3,0,0,0,0|1,0,0]=4 20979 B13R1.1630 Cc1cc(c(cc1Br)F)OCC=O 7a_100012355673_200015260668 [0,3,0,0,0,0|1,0,0]=4 20980 B13R1.1630 Cc1cc(c(cc1Br)N)OCC=O 34a_200010235796_200009817547 [0,3,0,0,0,0|1,0,0]=4 20981 B13R1.1630 Cc1cc(c(cc1Br)N)OCC=O 7a_200010235796_200015260668 [0,3,0,0,0,0|1,0,0]=4 20982 B13R1.1630 Cc1cc(c(cc1Br)OCC=O)F 34a_100010068922_200009817547 [0,3,0,0,0,0|1,0,0]=4 20983 B13R1.1630 Cc1cc(c(cc1Br)OCC=O)F 7a_100010068922_200015260668 [0,3,0,0,0,0|1,0,0]=4 20984 B13R1.1630 Cc1cc(c(cc1Br)OCC=O)N 34a_200010107346_200009817547 [0,3,0,0,0,0|1,0,0]=4 20985 B13R1.1630 Cc1cc(c(cc1Br)OCC=O)N 7a_200010107346_200015260668 [0,3,0,0,0,0|1,0,0]=4 20986 B13R1.1630 Cc1cc(c(cc1C)OCC=O)Br 34a_100009814663_200009817547 [0,3,0,0,0,0|1,0,0]=4 20987 B13R1.1630 Cc1cc(c(cc1C)OCC=O)Br 7a_100009814663_200015260668 [0,3,0,0,0,0|1,0,0]=4 20988 B13R1.1630 Cc1cc(c(cc1C)OCC=O)C 34a_200000047129_200009817547 [0,3,0,0,0,0|1,0,0]=4 20989 B13R1.1630 Cc1cc(c(cc1C)OCC=O)C 7a_200000047129_200015260668 [0,3,0,0,0,0|1,0,0]=4 20990 B13R1.1630 Cc1cc(c(cc1C)OCC=O)Cl 34a_100000031796_200009817547 [0,3,0,0,0,0|1,0,0]=4 20991 B13R1.1630 Cc1cc(c(cc1C)OCC=O)Cl 7a_100000031796_200015260668 [0,3,0,0,0,0|1,0,0]=4 20992 B13R1.1630 Cc1cc(c(cc1C)OCC=O)N 34a_100133014134_200009817547 [0,3,0,0,0,0|1,0,0]=4 20993 B13R1.1630 Cc1cc(c(cc1C)OCC=O)N 7a_100133014134_200015260668 [0,3,0,0,0,0|1,0,0]=4 20994 B13R1.1630 Cc1cc(c(cc1Cl)Br)OCC=O 34a_100022700756_200009817547 [0,3,0,0,0,0|1,0,0]=4 20995 B13R1.1630 Cc1cc(c(cc1Cl)Br)OCC=O 7a_100022700756_200015260668 [0,3,0,0,0,0|1,0,0]=4 20996 B13R1.1630 Cc1cc(c(cc1Cl)Cl)OCC=O 34a_100012002691_200009817547 [0,3,0,0,0,0|1,0,0]=4 20997 B13R1.1630 Cc1cc(c(cc1Cl)Cl)OCC=O 7a_100012002691_200015260668 [0,3,0,0,0,0|1,0,0]=4 20998 B13R1.1630 Cc1cc(c(cc1Cl)N)OCC=O 34a_100000091707_200009817547 [0,3,0,0,0,0|1,0,0]=4 20999 B13R1.1630 Cc1cc(c(cc1Cl)N)OCC=O 7a_100000091707_200015260668 [0,3,0,0,0,0|1,0,0]=4 21000 B13R1.1630 Cc1cc(c(cc1F)C)OCC=O 34a_100010674473_200009817547 [0,3,0,0,0,0|1,0,0]=4 21001 B13R1.1630 Cc1cc(c(cc1F)C)OCC=O 7a_100010674473_200015260668 [0,3,0,0,0,0|1,0,0]=4 21002 B13R1.1630 Cc1cc(c(cc1F)OCC=O)N 34a_100012022779_200009817547 [0,3,0,0,0,0|1,0,0]=4 21003 B13R1.1630 Cc1cc(c(cc1F)OCC=O)N 7a_100012022779_200015260668 [0,3,0,0,0,0|1,0,0]=4 21004 B13R1.1630 Cc1cc(c(cc1I)C)OCC=O 34a_200011215153_200009817547 [0,3,0,0,0,0|1,0,0]=4 21005 B13R1.1630 Cc1cc(c(cc1I)C)OCC=O 7a_200011215153_200015260668 [0,3,0,0,0,0|1,0,0]=4 21006 B13R1.1630 Cc1cc(c(cc1N)C)OCC=O 34a_100000720036_200009817547 [0,3,0,0,0,0|1,0,0]=4 21007 B13R1.1630 Cc1cc(c(cc1N)C)OCC=O 7a_100000720036_200015260668 [0,3,0,0,0,0|1,0,0]=4 21008 B13R1.1630 Cc1cc(c(cc1N)OCC=O)Cl 34a_100009961766_200009817547 [0,3,0,0,0,0|1,0,0]=4 21009 B13R1.1630 Cc1cc(c(cc1N)OCC=O)Cl 7a_100009961766_200015260668 [0,3,0,0,0,0|1,0,0]=4 21010 B13R1.1630 Cc1cc(c(cc1OCC=O)Br)F 34a_100014242602_200009817547 [0,3,0,0,0,0|1,0,0]=4 21011 B13R1.1630 Cc1cc(c(cc1OCC=O)Br)F 7a_100014242602_200015260668 [0,3,0,0,0,0|1,0,0]=4 21012 B13R1.1630 Cc1cc(c(cc1OCC=O)F)F 34a_100000728840_200009817547 [0,3,0,0,0,0|1,0,0]=4 21013 B13R1.1630 Cc1cc(c(cc1OCC=O)F)F 7a_100000728840_200015260668 [0,3,0,0,0,0|1,0,0]=4 21014 B13R1.1630 Cc1cc(c(cc1OCC=O)I)F 34a_100010080512_200009817547 [0,3,0,0,0,0|1,0,0]=4 21015 B13R1.1630 Cc1cc(c(cc1OCC=O)I)F 7a_100010080512_200015260668 [0,3,0,0,0,0|1,0,0]=4 21016 B13R1.1630 Cc1cc(c(cc1OCC=O)N)Cl 34a_100000092876_200009817547 [0,3,0,0,0,0|1,0,0]=4 21017 B13R1.1630 Cc1cc(c(cc1OCC=O)N)Cl 7a_100000092876_200015260668 [0,3,0,0,0,0|1,0,0]=4 21018 B13R1.1630 Cc1cc(c(cc1OCC=O)N)F 34a_100000117193_200009817547 [0,3,0,0,0,0|1,0,0]=4 21019 B13R1.1630 Cc1cc(c(cc1OCC=O)N)F 7a_100000117193_200015260668 [0,3,0,0,0,0|1,0,0]=4 21020 B13R1.1630 Nc1cc(c(cc1Br)OCC=O)Br 34a_100011080774_200009817547 [0,3,0,0,0,0|1,0,0]=4 21021 B13R1.1630 Nc1cc(c(cc1Br)OCC=O)Br 7a_100011080774_200015260668 [0,3,0,0,0,0|1,0,0]=4 21022 B13R1.1630 Nc1cc(c(cc1Cl)Cl)OCC=O 34a_100000037174_200009817547 [0,3,0,0,0,0|1,0,0]=4 21023 B13R1.1630 Nc1cc(c(cc1Cl)Cl)OCC=O 7a_100000037174_200015260668 [0,3,0,0,0,0|1,0,0]=4 21024 B13R1.1630 Nc1cc(c(cc1Cl)OCC=O)Cl 34a_100012000071_200009817547 [0,3,0,0,0,0|1,0,0]=4 21025 B13R1.1630 Nc1cc(c(cc1Cl)OCC=O)Cl 7a_100012000071_200015260668 [0,3,0,0,0,0|1,0,0]=4 21026 B13R1.1630 Nc1cc(c(cc1Cl)OCC=O)F 34a_100009886023_200009817547 [0,3,0,0,0,0|1,0,0]=4 21027 B13R1.1630 Nc1cc(c(cc1Cl)OCC=O)F 7a_100009886023_200015260668 [0,3,0,0,0,0|1,0,0]=4 21028 B13R1.1630 Nc1cc(c(cc1F)Cl)OCC=O 34a_100000042052_200009817547 [0,3,0,0,0,0|1,0,0]=4 21029 B13R1.1630 Nc1cc(c(cc1F)Cl)OCC=O 7a_100000042052_200015260668 [0,3,0,0,0,0|1,0,0]=4 21030 B13R1.1630 Nc1cc(c(cc1F)F)OCC=O 34a_100011219470_200009817547 [0,3,0,0,0,0|1,0,0]=4 21031 B13R1.1630 Nc1cc(c(cc1F)F)OCC=O 7a_100011219470_200015260668 [0,3,0,0,0,0|1,0,0]=4 21032 B13R1.1630 Nc1cc(c(cc1F)OCC=O)F 34a_100020635945_200009817547 [0,3,0,0,0,0|1,0,0]=4 21033 B13R1.1630 Nc1cc(c(cc1F)OCC=O)F 7a_100020635945_200015260668 [0,3,0,0,0,0|1,0,0]=4 21034 B13R1.1630 Nc1cc(c(cc1OCC=O)Br)Br 34a_200010781931_200009817547 [0,3,0,0,0,0|1,0,0]=4 21035 B13R1.1630 Nc1cc(c(cc1OCC=O)Br)Br 7a_200010781931_200015260668 [0,3,0,0,0,0|1,0,0]=4 21036 B13R1.1630 Nc1cc(c(cc1OCC=O)Br)F 34a_100013038943_200009817547 [0,3,0,0,0,0|1,0,0]=4 21037 B13R1.1630 Nc1cc(c(cc1OCC=O)Br)F 7a_100013038943_200015260668 [0,3,0,0,0,0|1,0,0]=4 21038 B13R1.1630 Nc1cc(c(cc1OCC=O)Cl)Br 34a_100013488937_200009817547 [0,3,0,0,0,0|1,0,0]=4 21039 B13R1.1630 Nc1cc(c(cc1OCC=O)Cl)Br 7a_100013488937_200015260668 [0,3,0,0,0,0|1,0,0]=4 21040 B13R1.1630 Nc1cc(c(cc1OCC=O)Cl)Cl 34a_100000696747_200009817547 [0,3,0,0,0,0|1,0,0]=4 21041 B13R1.1630 Nc1cc(c(cc1OCC=O)Cl)Cl 7a_100000696747_200015260668 [0,3,0,0,0,0|1,0,0]=4 21042 B13R1.1630 Nc1cc(c(cc1OCC=O)Cl)I 34a_100011011175_200009817547 [0,3,0,0,0,0|1,0,0]=4 21043 B13R1.1630 Nc1cc(c(cc1OCC=O)Cl)I 7a_100011011175_200015260668 [0,3,0,0,0,0|1,0,0]=4 21044 B13R1.1630 Nc1cc(c(cc1OCC=O)F)Br 34a_100012359894_200009817547 [0,3,0,0,0,0|1,0,0]=4 21045 B13R1.1630 Nc1cc(c(cc1OCC=O)F)Br 7a_100012359894_200015260668 [0,3,0,0,0,0|1,0,0]=4 21046 B13R1.1630 Nc1cc(c(cc1OCC=O)F)F 34a_100011217416_200009817547 [0,3,0,0,0,0|1,0,0]=4 21047 B13R1.1630 Nc1cc(c(cc1OCC=O)F)F 7a_100011217416_200015260668 [0,3,0,0,0,0|1,0,0]=4 21048 B13R1.1630 O=CCOc1cc(c(cc1Br)F)F 34a_100009813768_200009817547 [0,3,0,0,0,0|1,0,0]=4 21049 B13R1.1630 O=CCOc1cc(c(cc1Br)F)F 7a_100009813768_200015260668 [0,3,0,0,0,0|1,0,0]=4 21050 B13R1.1630 O=CCOc1cc(c(cc1Cl)Br)Cl 34a_100000719705_200009817547 [0,3,0,0,0,0|1,0,0]=4 21051 B13R1.1630 O=CCOc1cc(c(cc1Cl)Br)Cl 7a_100000719705_200015260668 [0,3,0,0,0,0|1,0,0]=4 21052 B13R1.1630 O=CCOc1cc(c(cc1Cl)Br)F 34a_100000726166_200009817547 [0,3,0,0,0,0|1,0,0]=4 21053 B13R1.1630 O=CCOc1cc(c(cc1Cl)Br)F 7a_100000726166_200015260668 [0,3,0,0,0,0|1,0,0]=4 21054 B13R1.1630 O=CCOc1cc(c(cc1Cl)Br)I 34a_100021297947_200009817547 [0,3,0,0,0,0|1,0,0]=4 21055 B13R1.1630 O=CCOc1cc(c(cc1Cl)Br)I 7a_100021297947_200015260668 [0,3,0,0,0,0|1,0,0]=4 21056 B13R1.1630 O=CCOc1cc(c(cc1Cl)Cl)Br 34a_100010203734_200009817547 [0,3,0,0,0,0|1,0,0]=4 21057 B13R1.1630 O=CCOc1cc(c(cc1Cl)Cl)Br 7a_100010203734_200015260668 [0,3,0,0,0,0|1,0,0]=4 21058 B13R1.1630 O=CCOc1cc(c(cc1Cl)Cl)Cl 34a_100000211312_200009817547 [0,3,0,0,0,0|1,0,0]=4 21059 B13R1.1630 O=CCOc1cc(c(cc1Cl)Cl)Cl 7a_100000211312_200015260668 [0,3,0,0,0,0|1,0,0]=4 21060 B13R1.1630 O=CCOc1cc(c(cc1Cl)F)Br 34a_100010189047_200009817547 [0,3,0,0,0,0|1,0,0]=4 21061 B13R1.1630 O=CCOc1cc(c(cc1Cl)F)Br 7a_100010189047_200015260668 [0,3,0,0,0,0|1,0,0]=4 21062 B13R1.1630 O=CCOc1cc(c(cc1Cl)F)F 34a_100009848785_200009817547 [0,3,0,0,0,0|1,0,0]=4 21063 B13R1.1630 O=CCOc1cc(c(cc1Cl)F)F 7a_100009848785_200015260668 [0,3,0,0,0,0|1,0,0]=4 21064 B13R1.1630 O=CCOc1cc(c(cc1Cl)F)I 34a_100010735246_200009817547 [0,3,0,0,0,0|1,0,0]=4 21065 B13R1.1630 O=CCOc1cc(c(cc1Cl)F)I 7a_100010735246_200015260668 [0,3,0,0,0,0|1,0,0]=4 21066 B13R1.1630 O=CCOc1cc(c(cc1F)Br)F 34a_100011830439_200009817547 [0,3,0,0,0,0|1,0,0]=4 21067 B13R1.1630 O=CCOc1cc(c(cc1F)Br)F 7a_100011830439_200015260668 [0,3,0,0,0,0|1,0,0]=4 21068 B13R1.1630 O=CCOc1cc(c(cc1F)F)Br 34a_100012457948_200009817547 [0,3,0,0,0,0|1,0,0]=4 21069 B13R1.1630 O=CCOc1cc(c(cc1F)F)Br 7a_100012457948_200015260668 [0,3,0,0,0,0|1,0,0]=4 21070 B13R1.1630 O=CCOc1cc(c(cc1F)F)F 34a_100000237555_200009817547 [0,3,0,0,0,0|1,0,0]=4 21071 B13R1.1630 O=CCOc1cc(c(cc1F)F)F 7a_100000237555_200015260668 [0,3,0,0,0,0|1,0,0]=4 21072 B13R1.1630 O=CCOc1cc(c(cc1F)F)I 34a_100015789030_200009817547 [0,3,0,0,0,0|1,0,0]=4 21073 B13R1.1630 O=CCOc1cc(c(cc1F)F)I 7a_100015789030_200015260668 [0,3,0,0,0,0|1,0,0]=4 21074 B13R1.1630 O=CCOc1cc(c(cc1I)F)F 34a_100010749349_200009817547 [0,3,0,0,0,0|1,0,0]=4 21075 B13R1.1630 O=CCOc1cc(c(cc1I)F)F 7a_100010749349_200015260668 [0,3,0,0,0,0|1,0,0]=4 21076 B13R1.3518 C=CCNc1ccc(c(c1Br)Br)Br 34a_100010151465_100015514636 [0,3,0,0,0,0|1,0,0]=4 21077 B13R1.3518 C=CCNc1ccc(c(c1Br)Cl)Cl 34a_100021501213_100015514636 [0,3,0,0,0,0|1,0,0]=4 21078 B13R1.3518 C=CCNc1ccc(c(c1Br)F)F 2230a_100010232473_100000210623 [0,3,0,0,0,0|1,0,0]=4 21079 B13R1.3518 C=CCNc1ccc(c(c1Br)F)F 34a_100010232473_100015514636 [0,3,0,0,0,0|1,0,0]=4 21080 B13R1.3518 C=CCNc1ccc(c(c1Br)F)F 7a_100010232473_100015514636 [0,3,0,0,0,0|1,0,0]=4 21081 B13R1.3518 C=CCNc1ccc(c(c1Br)F)I 34a_100015781493_100015514636 [0,3,0,0,0,0|1,0,0]=4 21082 B13R1.3518 C=CCNc1ccc(c(c1C)Br)Br 2230a_100010244494_100000210623 [0,3,0,0,0,0|1,0,0]=4 21083 B13R1.3518 C=CCNc1ccc(c(c1C)Br)Br 34a_100010244494_100015514636 [0,3,0,0,0,0|1,0,0]=4 21084 B13R1.3518 C=CCNc1ccc(c(c1C)Br)Br 7a_100010244494_100015514636 [0,3,0,0,0,0|1,0,0]=4 21085 B13R1.3518 C=CCNc1ccc(c(c1C)Br)C 2230a_106354213274_100000210623 [0,3,0,0,0,0|1,0,0]=4 21086 B13R1.3518 C=CCNc1ccc(c(c1C)Br)C 34a_106354213274_100015514636 [0,3,0,0,0,0|1,0,0]=4 21087 B13R1.3518 C=CCNc1ccc(c(c1C)Br)C 7a_106354213274_100015514636 [0,3,0,0,0,0|1,0,0]=4 21088 B13R1.3518 C=CCNc1ccc(c(c1C)Br)Cl 2230a_100016073598_100000210623 [0,3,0,0,0,0|1,0,0]=4 21089 B13R1.3518 C=CCNc1ccc(c(c1C)Br)Cl 34a_100016073598_100015514636 [0,3,0,0,0,0|1,0,0]=4 21090 B13R1.3518 C=CCNc1ccc(c(c1C)Br)Cl 7a_100016073598_100015514636 [0,3,0,0,0,0|1,0,0]=4 21091 B13R1.3518 C=CCNc1ccc(c(c1C)C)Br 2230a_100009816967_100000210623 [0,3,0,0,0,0|1,0,0]=4 21092 B13R1.3518 C=CCNc1ccc(c(c1C)C)Br 34a_100009816967_100015514636 [0,3,0,0,0,0|1,0,0]=4 21093 B13R1.3518 C=CCNc1ccc(c(c1C)C)Br 7a_100009816967_100015514636 [0,3,0,0,0,0|1,0,0]=4 21094 B13R1.3518 C=CCNc1ccc(c(c1C)C)C 2230a_100000116900_100000210623 [0,3,0,0,0,0|1,0,0]=4 21095 B13R1.3518 C=CCNc1ccc(c(c1C)C)C 34a_100000116900_100015514636 [0,3,0,0,0,0|1,0,0]=4 21096 B13R1.3518 C=CCNc1ccc(c(c1C)C)C 7a_100000116900_100015514636 [0,3,0,0,0,0|1,0,0]=4 21097 B13R1.3518 C=CCNc1ccc(c(c1C)C)F 2230a_100000062172_100000210623 [0,3,0,0,0,0|1,0,0]=4 21098 B13R1.3518 C=CCNc1ccc(c(c1C)C)F 34a_100000062172_100015514636 [0,3,0,0,0,0|1,0,0]=4 21099 B13R1.3518 C=CCNc1ccc(c(c1C)C)F 7a_100000062172_100015514636 [0,3,0,0,0,0|1,0,0]=4 21100 B13R1.3518 C=CCNc1ccc(c(c1C)C)O 34a_200011216674_100015514636 [0,3,0,0,0,0|1,0,0]=4 21101 B13R1.3518 C=CCNc1ccc(c(c1C)C)O 7a_200011216674_100015514636 [0,3,0,0,0,0|1,0,0]=4 21102 B13R1.3518 C=CCNc1ccc(c(c1C)Cl)Br 2230a_100009816872_100000210623 [0,3,0,0,0,0|1,0,0]=4 21103 B13R1.3518 C=CCNc1ccc(c(c1C)Cl)Br 34a_100009816872_100015514636 [0,3,0,0,0,0|1,0,0]=4 21104 B13R1.3518 C=CCNc1ccc(c(c1C)Cl)Br 7a_100009816872_100015514636 [0,3,0,0,0,0|1,0,0]=4 21105 B13R1.3518 C=CCNc1ccc(c(c1C)Cl)C 2230a_100009954856_100000210623 [0,3,0,0,0,0|1,0,0]=4 21106 B13R1.3518 C=CCNc1ccc(c(c1C)Cl)C 34a_100009954856_100015514636 [0,3,0,0,0,0|1,0,0]=4 21107 B13R1.3518 C=CCNc1ccc(c(c1C)Cl)C 7a_100009954856_100015514636 [0,3,0,0,0,0|1,0,0]=4 21108 B13R1.3518 C=CCNc1ccc(c(c1C)Cl)Cl 2230a_114948340058_100000210623 [0,3,0,0,0,0|1,0,0]=4 21109 B13R1.3518 C=CCNc1ccc(c(c1C)Cl)Cl 34a_114948340058_100015514636 [0,3,0,0,0,0|1,0,0]=4 21110 B13R1.3518 C=CCNc1ccc(c(c1C)Cl)Cl 7a_114948340058_100015514636 [0,3,0,0,0,0|1,0,0]=4 21111 B13R1.3518 C=CCNc1ccc(c(c1C)F)Br 2230a_100010208198_100000210623 [0,3,0,0,0,0|1,0,0]=4 21112 B13R1.3518 C=CCNc1ccc(c(c1C)F)Br 34a_100010208198_100015514636 [0,3,0,0,0,0|1,0,0]=4 21113 B13R1.3518 C=CCNc1ccc(c(c1C)F)Br 7a_100010208198_100015514636 [0,3,0,0,0,0|1,0,0]=4 21114 B13R1.3518 C=CCNc1ccc(c(c1C)F)I 34a_100010291050_100015514636 [0,3,0,0,0,0|1,0,0]=4 21115 B13R1.3518 C=CCNc1ccc(c(c1C)F)I 7a_100010291050_100015514636 [0,3,0,0,0,0|1,0,0]=4 21116 B13R1.3518 C=CCNc1ccc(c(c1C)I)C 34a_100011170560_100015514636 [0,3,0,0,0,0|1,0,0]=4 21117 B13R1.3518 C=CCNc1ccc(c(c1C)I)C 7a_100011170560_100015514636 [0,3,0,0,0,0|1,0,0]=4 21118 B13R1.3518 C=CCNc1ccc(c(c1Cl)C)Cl 34a_100011935240_100015514636 [0,3,0,0,0,0|1,0,0]=4 21119 B13R1.3518 C=CCNc1ccc(c(c1Cl)C)Cl 7a_100011935240_100015514636 [0,3,0,0,0,0|1,0,0]=4 21120 B13R1.3518 C=CCNc1ccc(c(c1Cl)C)F 2230a_100009863382_100000210623 [0,3,0,0,0,0|1,0,0]=4 21121 B13R1.3518 C=CCNc1ccc(c(c1Cl)C)F 34a_100009863382_100015514636 [0,3,0,0,0,0|1,0,0]=4 21122 B13R1.3518 C=CCNc1ccc(c(c1Cl)C)F 7a_100009863382_100015514636 [0,3,0,0,0,0|1,0,0]=4 21123 B13R1.3518 C=CCNc1ccc(c(c1Cl)Cl)Br 34a_100000701039_100015514636 [0,3,0,0,0,0|1,0,0]=4 21124 B13R1.3518 C=CCNc1ccc(c(c1Cl)Cl)Cl 34a_200000033989_100015514636 [0,3,0,0,0,0|1,0,0]=4 21125 B13R1.3518 C=CCNc1ccc(c(c1Cl)Cl)F 2230a_100000068956_100000210623 [0,3,0,0,0,0|1,0,0]=4 21126 B13R1.3518 C=CCNc1ccc(c(c1Cl)Cl)F 34a_100000068956_100015514636 [0,3,0,0,0,0|1,0,0]=4 21127 B13R1.3518 C=CCNc1ccc(c(c1Cl)Cl)F 7a_100000068956_100015514636 [0,3,0,0,0,0|1,0,0]=4 21128 B13R1.3518 C=CCNc1ccc(c(c1Cl)Cl)O 34a_100012017499_100015514636 [0,3,0,0,0,0|1,0,0]=4 21129 B13R1.3518 C=CCNc1ccc(c(c1Cl)Cl)O 7a_100012017499_100015514636 [0,3,0,0,0,0|1,0,0]=4 21130 B13R1.3518 C=CCNc1ccc(c(c1Cl)F)Br 2230a_100010109752_100000210623 [0,3,0,0,0,0|1,0,0]=4 21131 B13R1.3518 C=CCNc1ccc(c(c1Cl)F)Br 34a_100010109752_100015514636 [0,3,0,0,0,0|1,0,0]=4 21132 B13R1.3518 C=CCNc1ccc(c(c1Cl)F)Cl 2230a_100000069711_100000210623 [0,3,0,0,0,0|1,0,0]=4 21133 B13R1.3518 C=CCNc1ccc(c(c1Cl)F)Cl 34a_100000069711_100015514636 [0,3,0,0,0,0|1,0,0]=4 21134 B13R1.3518 C=CCNc1ccc(c(c1Cl)F)Cl 7a_100000069711_100015514636 [0,3,0,0,0,0|1,0,0]=4 21135 B13R1.3518 C=CCNc1ccc(c(c1Cl)F)F 2230a_100000101296_100000210623 [0,3,0,0,0,0|1,0,0]=4 21136 B13R1.3518 C=CCNc1ccc(c(c1Cl)F)F 34a_100000101296_100015514636 [0,3,0,0,0,0|1,0,0]=4 21137 B13R1.3518 C=CCNc1ccc(c(c1Cl)F)F 7a_100000101296_100015514636 [0,3,0,0,0,0|1,0,0]=4 21138 B13R1.3518 C=CCNc1ccc(c(c1Cl)O)C 34a_100000036876_100015514636 [0,3,0,0,0,0|1,0,0]=4 21139 B13R1.3518 C=CCNc1ccc(c(c1Cl)O)C 7a_100000036876_100015514636 [0,3,0,0,0,0|1,0,0]=4 21140 B13R1.3518 C=CCNc1ccc(c(c1F)Br)F 2230a_100010070858_100000210623 [0,3,0,0,0,0|1,0,0]=4 21141 B13R1.3518 C=CCNc1ccc(c(c1F)Br)F 34a_100010070858_100015514636 [0,3,0,0,0,0|1,0,0]=4 21142 B13R1.3518 C=CCNc1ccc(c(c1F)Br)F 7a_100010070858_100015514636 [0,3,0,0,0,0|1,0,0]=4 21143 B13R1.3518 C=CCNc1ccc(c(c1F)C)Br 2230a_100000722916_100000210623 [0,3,0,0,0,0|1,0,0]=4 21144 B13R1.3518 C=CCNc1ccc(c(c1F)C)Br 34a_100000722916_100015514636 [0,3,0,0,0,0|1,0,0]=4 21145 B13R1.3518 C=CCNc1ccc(c(c1F)C)Br 7a_100000722916_100015514636 [0,3,0,0,0,0|1,0,0]=4 21146 B13R1.3518 C=CCNc1ccc(c(c1F)C)F 2230a_102495366501_100000210623 [0,3,0,0,0,0|1,0,0]=4 21147 B13R1.3518 C=CCNc1ccc(c(c1F)C)F 34a_102495366501_100015514636 [0,3,0,0,0,0|1,0,0]=4 21148 B13R1.3518 C=CCNc1ccc(c(c1F)C)F 7a_102495366501_100015514636 [0,3,0,0,0,0|1,0,0]=4 21149 B13R1.3518 C=CCNc1ccc(c(c1F)C)O 34a_200000126710_100015514636 [0,3,0,0,0,0|1,0,0]=4 21150 B13R1.3518 C=CCNc1ccc(c(c1F)C)O 7a_200000126710_100015514636 [0,3,0,0,0,0|1,0,0]=4 21151 B13R1.3518 C=CCNc1ccc(c(c1F)Cl)Br 2230a_100009813730_100000210623 [0,3,0,0,0,0|1,0,0]=4 21152 B13R1.3518 C=CCNc1ccc(c(c1F)Cl)Br 34a_100009813730_100015514636 [0,3,0,0,0,0|1,0,0]=4 21153 B13R1.3518 C=CCNc1ccc(c(c1F)Cl)Cl 2230a_100000036759_100000210623 [0,3,0,0,0,0|1,0,0]=4 21154 B13R1.3518 C=CCNc1ccc(c(c1F)Cl)Cl 34a_100000036759_100015514636 [0,3,0,0,0,0|1,0,0]=4 21155 B13R1.3518 C=CCNc1ccc(c(c1F)Cl)F 2230a_100000038966_100000210623 [0,3,0,0,0,0|1,0,0]=4 21156 B13R1.3518 C=CCNc1ccc(c(c1F)Cl)F 34a_100000038966_100015514636 [0,3,0,0,0,0|1,0,0]=4 21157 B13R1.3518 C=CCNc1ccc(c(c1F)Cl)F 7a_100000038966_100015514636 [0,3,0,0,0,0|1,0,0]=4 21158 B13R1.3518 C=CCNc1ccc(c(c1F)Cl)O 34a_200000098347_100015514636 [0,3,0,0,0,0|1,0,0]=4 21159 B13R1.3518 C=CCNc1ccc(c(c1F)Cl)O 7a_200000098347_100015514636 [0,3,0,0,0,0|1,0,0]=4 21160 B13R1.3518 C=CCNc1ccc(c(c1F)F)Br 2230a_100010200256_100000210623 [0,3,0,0,0,0|1,0,0]=4 21161 B13R1.3518 C=CCNc1ccc(c(c1F)F)Br 34a_100010200256_100015514636 [0,3,0,0,0,0|1,0,0]=4 21162 B13R1.3518 C=CCNc1ccc(c(c1F)F)C 2230a_100000062217_100000210623 [0,3,0,0,0,0|1,0,0]=4 21163 B13R1.3518 C=CCNc1ccc(c(c1F)F)C 34a_100000062217_100015514636 [0,3,0,0,0,0|1,0,0]=4 21164 B13R1.3518 C=CCNc1ccc(c(c1F)F)C 7a_100000062217_100015514636 [0,3,0,0,0,0|1,0,0]=4 21165 B13R1.3518 C=CCNc1ccc(c(c1F)F)Cl 2230a_100000088996_100000210623 [0,3,0,0,0,0|1,0,0]=4 21166 B13R1.3518 C=CCNc1ccc(c(c1F)F)Cl 34a_100000088996_100015514636 [0,3,0,0,0,0|1,0,0]=4 21167 B13R1.3518 C=CCNc1ccc(c(c1F)F)Cl 7a_100000088996_100015514636 [0,3,0,0,0,0|1,0,0]=4 21168 B13R1.3518 C=CCNc1ccc(c(c1F)F)F 2230a_100000210235_100000210623 [0,3,0,0,0,0|1,0,0]=4 21169 B13R1.3518 C=CCNc1ccc(c(c1F)F)F 34a_100000210235_100015514636 [0,3,0,0,0,0|1,0,0]=4 21170 B13R1.3518 C=CCNc1ccc(c(c1F)F)F 7a_100000210235_100015514636 [0,3,0,0,0,0|1,0,0]=4 21171 B13R1.3518 C=CCNc1ccc(c(c1F)F)I 34a_100010291506_100015514636 [0,3,0,0,0,0|1,0,0]=4 21172 B13R1.3518 C=CCNc1ccc(c(c1F)F)I 7a_100010291506_100015514636 [0,3,0,0,0,0|1,0,0]=4 21173 B13R1.3518 C=CCNc1ccc(c(c1F)F)O 34a_100015204651_100015514636 [0,3,0,0,0,0|1,0,0]=4 21174 B13R1.3518 C=CCNc1ccc(c(c1F)F)O 7a_100015204651_100015514636 [0,3,0,0,0,0|1,0,0]=4 21175 B13R1.3518 C=CCNc1ccc(c(c1F)I)F 34a_100015510717_100015514636 [0,3,0,0,0,0|1,0,0]=4 21176 B13R1.3518 C=CCNc1ccc(c(c1I)Br)F 34a_100020765651_100015514636 [0,3,0,0,0,0|1,0,0]=4 21177 B13R1.3518 C=CCNc1ccc(c(c1I)Cl)Br 34a_200010779962_100015514636 [0,3,0,0,0,0|1,0,0]=4 21178 B13R1.3518 C=CCNc1ccc(c(c1I)Cl)Cl 34a_200011093878_100015514636 [0,3,0,0,0,0|1,0,0]=4 21179 B13R1.3518 C=CCNc1ccc(c(c1I)F)Cl 34a_100010134325_100015514636 [0,3,0,0,0,0|1,0,0]=4 21180 B13R1.3518 C=CCNc1ccc(c(c1O)Br)F 34a_100010128263_100015514636 [0,3,0,0,0,0|1,0,0]=4 21181 B13R1.3518 C=CCNc1ccc(c(c1O)F)F 34a_100015205010_100015514636 [0,3,0,0,0,0|1,0,0]=4 21182 B13R1.3518 C=CCOc1ccc(c(c1C)Br)C 34a_100010659238_100015514636 [0,3,0,0,0,0|0,0,0]=3 21183 B13R1.3518 C=CCOc1ccc(c(c1C)Br)C 7a_100010659238_100015514636 [0,3,0,0,0,0|0,0,0]=3 21184 B13R1.3518 C=CCOc1ccc(c(c1C)C)Br 34a_100012353674_100015514636 [0,3,0,0,0,0|0,0,0]=3 21185 B13R1.3518 C=CCOc1ccc(c(c1C)C)Br 7a_100012353674_100015514636 [0,3,0,0,0,0|0,0,0]=3 21186 B13R1.3518 C=CCOc1ccc(c(c1C)C)F 34a_100009847123_100015514636 [0,3,0,0,0,0|0,0,0]=3 21187 B13R1.3518 C=CCOc1ccc(c(c1C)C)F 7a_100009847123_100015514636 [0,3,0,0,0,0|0,0,0]=3 21188 B13R1.3518 C=CCOc1ccc(c(c1C)C)I 34a_100011356951_100015514636 [0,3,0,0,0,0|0,0,0]=3 21189 B13R1.3518 C=CCOc1ccc(c(c1C)C)I 7a_100011356951_100015514636 [0,3,0,0,0,0|0,0,0]=3 21190 B13R1.3518 C=CCOc1ccc(c(c1C)C)N 34a_200011216674_100015514636 [0,3,0,0,0,0|0,0,0]=3 21191 B13R1.3518 C=CCOc1ccc(c(c1C)C)N 7a_200011216674_100015514636 [0,3,0,0,0,0|0,0,0]=3 21192 B13R1.3518 C=CCOc1ccc(c(c1C)F)Br 34a_100010390934_100015514636 [0,3,0,0,0,0|0,0,0]=3 21193 B13R1.3518 C=CCOc1ccc(c(c1C)F)Br 7a_100010390934_100015514636 [0,3,0,0,0,0|0,0,0]=3 21194 B13R1.3518 C=CCOc1ccc(c(c1C)F)N 34a_200000126710_100015514636 [0,3,0,0,0,0|0,0,0]=3 21195 B13R1.3518 C=CCOc1ccc(c(c1C)F)N 7a_200000126710_100015514636 [0,3,0,0,0,0|0,0,0]=3 21196 B13R1.3518 C=CCOc1ccc(c(c1Cl)C)Br 34a_100021574527_100015514636 [0,3,0,0,0,0|0,0,0]=3 21197 B13R1.3518 C=CCOc1ccc(c(c1Cl)C)Br 7a_100021574527_100015514636 [0,3,0,0,0,0|0,0,0]=3 21198 B13R1.3518 C=CCOc1ccc(c(c1Cl)Cl)Br 34a_100011988769_100015514636 [0,3,0,0,0,0|0,0,0]=3 21199 B13R1.3518 C=CCOc1ccc(c(c1Cl)Cl)Br 7a_100011988769_100015514636 [0,3,0,0,0,0|0,0,0]=3 21200 B13R1.3518 C=CCOc1ccc(c(c1Cl)Cl)Cl 34a_200011215298_100015514636 [0,3,0,0,0,0|0,0,0]=3 21201 B13R1.3518 C=CCOc1ccc(c(c1Cl)Cl)Cl 7a_200011215298_100015514636 [0,3,0,0,0,0|0,0,0]=3 21202 B13R1.3518 C=CCOc1ccc(c(c1Cl)Cl)N 34a_100012017499_100015514636 [0,3,0,0,0,0|0,0,0]=3 21203 B13R1.3518 C=CCOc1ccc(c(c1Cl)Cl)N 7a_100012017499_100015514636 [0,3,0,0,0,0|0,0,0]=3 21204 B13R1.3518 C=CCOc1ccc(c(c1Cl)F)Br 34a_100010245746_100015514636 [0,3,0,0,0,0|0,0,0]=3 21205 B13R1.3518 C=CCOc1ccc(c(c1Cl)F)Br 7a_100010245746_100015514636 [0,3,0,0,0,0|0,0,0]=3 21206 B13R1.3518 C=CCOc1ccc(c(c1Cl)F)N 34a_200000098347_100015514636 [0,3,0,0,0,0|0,0,0]=3 21207 B13R1.3518 C=CCOc1ccc(c(c1Cl)F)N 7a_200000098347_100015514636 [0,3,0,0,0,0|0,0,0]=3 21208 B13R1.3518 C=CCOc1ccc(c(c1Cl)N)Cl 34a_100016988457_100015514636 [0,3,0,0,0,0|0,0,0]=3 21209 B13R1.3518 C=CCOc1ccc(c(c1Cl)N)Cl 7a_100016988457_100015514636 [0,3,0,0,0,0|0,0,0]=3 21210 B13R1.3518 C=CCOc1ccc(c(c1F)F)Br 34a_100011830415_100015514636 [0,3,0,0,0,0|0,0,0]=3 21211 B13R1.3518 C=CCOc1ccc(c(c1F)F)Br 7a_100011830415_100015514636 [0,3,0,0,0,0|0,0,0]=3 21212 B13R1.3518 C=CCOc1ccc(c(c1F)F)C 34a_100000036877_100015514636 [0,3,0,0,0,0|0,0,0]=3 21213 B13R1.3518 C=CCOc1ccc(c(c1F)F)C 7a_100000036877_100015514636 [0,3,0,0,0,0|0,0,0]=3 21214 B13R1.3518 C=CCOc1ccc(c(c1F)F)F 34a_100000230025_100015514636 [0,3,0,0,0,0|0,0,0]=3 21215 B13R1.3518 C=CCOc1ccc(c(c1F)F)F 7a_100000230025_100015514636 [0,3,0,0,0,0|0,0,0]=3 21216 B13R1.3518 C=CCOc1ccc(c(c1F)F)I 34a_200011356956_100015514636 [0,3,0,0,0,0|0,0,0]=3 21217 B13R1.3518 C=CCOc1ccc(c(c1F)F)I 7a_200011356956_100015514636 [0,3,0,0,0,0|0,0,0]=3 21218 B13R1.3518 C=CCOc1ccc(c(c1F)F)N 34a_100015204651_100015514636 [0,3,0,0,0,0|0,0,0]=3 21219 B13R1.3518 C=CCOc1ccc(c(c1F)F)N 7a_100015204651_100015514636 [0,3,0,0,0,0|0,0,0]=3 21220 B13R1.3518 C=CCOc1ccc(c(c1N)C)Br 34a_100013039247_100015514636 [0,3,0,0,0,0|0,0,0]=3 21221 B13R1.3518 C=CCOc1ccc(c(c1N)C)Br 7a_100013039247_100015514636 [0,3,0,0,0,0|0,0,0]=3 21222 B13R1.3518 C=CCOc1ncc(c(c1Br)C)Cl 34a_200010175591_100015514636 [0,3,0,0,0,0|1,0,0]=4 21223 B13R1.3518 C=CCOc1ncc(c(c1C)C)Br 34a_200011099879_100015514636 [0,3,0,0,0,0|1,0,0]=4 21224 B13R1.3518 C=CCOc1ncc(c(c1Cl)Cl)Cl 34a_200010273840_100015514636 [0,3,0,0,0,0|1,0,0]=4 21225 B13R1.3518 C=CCSc1ccc(c(c1C)C)Br 62a_100000210623_200010185626 [0,3,0,0,0,0|0,1,0]=4 21226 B13R1.3518 C=CCSc1ccc(c(c1C)C)Br 62a_200010185626_100000210623 [0,3,0,0,0,0|0,1,0]=4 21227 B13R1.3518 C=CCSc1ccc(c(c1C)C)F 62a_100000210623_100009816033 [0,3,0,0,0,0|0,1,0]=4 21228 B13R1.3518 C=CCSc1ccc(c(c1C)C)F 62a_100009816033_100000210623 [0,3,0,0,0,0|0,1,0]=4 21229 B13R1.3518 C=CCSc1ccc(c(c1C)C)N 62a_100000210623_100009816967 [0,3,0,0,0,0|0,1,0]=4 21230 B13R1.3518 C=CCSc1ccc(c(c1C)C)N 62a_100009816967_100000210623 [0,3,0,0,0,0|0,1,0]=4 21231 B13R1.3518 C=CCSc1ccc(c(c1C)C)O 62a_100000210623_100012353674 [0,3,0,0,0,0|0,1,0]=4 21232 B13R1.3518 C=CCSc1ccc(c(c1C)C)O 62a_100012353674_100000210623 [0,3,0,0,0,0|0,1,0]=4 21233 B13R1.3518 C=CCSc1ccc(c(c1C)Cl)Br 62a_100000210623_200010212245 [0,3,0,0,0,0|0,1,0]=4 21234 B13R1.3518 C=CCSc1ccc(c(c1C)Cl)Br 62a_200010212245_100000210623 [0,3,0,0,0,0|0,1,0]=4 21235 B13R1.3518 C=CCSc1ccc(c(c1C)F)Br 62a_100000210623_100010208201 [0,3,0,0,0,0|0,1,0]=4 21236 B13R1.3518 C=CCSc1ccc(c(c1C)F)Br 62a_100010208201_100000210623 [0,3,0,0,0,0|0,1,0]=4 21237 B13R1.3518 C=CCSc1ccc(c(c1C)F)F 62a_100000210623_100009815991 [0,3,0,0,0,0|0,1,0]=4 21238 B13R1.3518 C=CCSc1ccc(c(c1C)F)F 62a_100009815991_100000210623 [0,3,0,0,0,0|0,1,0]=4 21239 B13R1.3518 C=CCSc1ccc(c(c1C)F)N 62a_100000210623_100000722916 [0,3,0,0,0,0|0,1,0]=4 21240 B13R1.3518 C=CCSc1ccc(c(c1C)F)N 62a_100000722916_100000210623 [0,3,0,0,0,0|0,1,0]=4 21241 B13R1.3518 C=CCSc1ccc(c(c1C)N)C 62a_100000210623_200010074581 [0,3,0,0,0,0|0,1,0]=4 21242 B13R1.3518 C=CCSc1ccc(c(c1C)N)C 62a_200010074581_100000210623 [0,3,0,0,0,0|0,1,0]=4 21243 B13R1.3518 C=CCSc1ccc(c(c1C)N)F 62a_100000210623_100010588651 [0,3,0,0,0,0|0,1,0]=4 21244 B13R1.3518 C=CCSc1ccc(c(c1C)N)F 62a_100010588651_100000210623 [0,3,0,0,0,0|0,1,0]=4 21245 B13R1.3518 C=CCSc1ccc(c(c1C)N)N 62a_100010009725_100000210623 [0,3,0,0,0,0|0,1,0]=4 21246 B13R1.3518 C=CCSc1ccc(c(c1C)N)O 62a_100000210623_100013039247 [0,3,0,0,0,0|0,1,0]=4 21247 B13R1.3518 C=CCSc1ccc(c(c1C)N)O 62a_100013039247_100000210623 [0,3,0,0,0,0|0,1,0]=4 21248 B13R1.3518 C=CCSc1ccc(c(c1Cl)C)Br 62a_100000210623_100055076181 [0,3,0,0,0,0|0,1,0]=4 21249 B13R1.3518 C=CCSc1ccc(c(c1Cl)C)Br 62a_100055076181_100000210623 [0,3,0,0,0,0|0,1,0]=4 21250 B13R1.3518 C=CCSc1ccc(c(c1Cl)C)Cl 62a_100000210623_100010730154 [0,3,0,0,0,0|0,1,0]=4 21251 B13R1.3518 C=CCSc1ccc(c(c1Cl)C)Cl 62a_100010730154_100000210623 [0,3,0,0,0,0|0,1,0]=4 21252 B13R1.3518 C=CCSc1ccc(c(c1Cl)Cl)Br 62a_100000210623_200012356690 [0,3,0,0,0,0|0,1,0]=4 21253 B13R1.3518 C=CCSc1ccc(c(c1Cl)Cl)Br 62a_200012356690_100000210623 [0,3,0,0,0,0|0,1,0]=4 21254 B13R1.3518 C=CCSc1ccc(c(c1F)Br)F 62a_100000210623_100010167943 [0,3,0,0,0,0|0,1,0]=4 21255 B13R1.3518 C=CCSc1ccc(c(c1F)Br)F 62a_100010167943_100000210623 [0,3,0,0,0,0|0,1,0]=4 21256 B13R1.3518 C=CCSc1ccc(c(c1F)Br)N 62a_100000210623_100015781493 [0,3,0,0,0,0|0,1,0]=4 21257 B13R1.3518 C=CCSc1ccc(c(c1F)Br)N 62a_100015781493_100000210623 [0,3,0,0,0,0|0,1,0]=4 21258 B13R1.3518 C=CCSc1ccc(c(c1F)C)C 62a_100000210623_200015555822 [0,3,0,0,0,0|0,1,0]=4 21259 B13R1.3518 C=CCSc1ccc(c(c1F)C)C 62a_200015555822_100000210623 [0,3,0,0,0,0|0,1,0]=4 21260 B13R1.3518 C=CCSc1ccc(c(c1F)C)F 62a_100000210623_100009815987 [0,3,0,0,0,0|0,1,0]=4 21261 B13R1.3518 C=CCSc1ccc(c(c1F)C)F 62a_100009815987_100000210623 [0,3,0,0,0,0|0,1,0]=4 21262 B13R1.3518 C=CCSc1ccc(c(c1F)C)N 62a_100000210623_100010208198 [0,3,0,0,0,0|0,1,0]=4 21263 B13R1.3518 C=CCSc1ccc(c(c1F)C)N 62a_100010208198_100000210623 [0,3,0,0,0,0|0,1,0]=4 21264 B13R1.3518 C=CCSc1ccc(c(c1F)C)O 62a_100000210623_100010390934 [0,3,0,0,0,0|0,1,0]=4 21265 B13R1.3518 C=CCSc1ccc(c(c1F)C)O 62a_100010390934_100000210623 [0,3,0,0,0,0|0,1,0]=4 21266 B13R1.3518 C=CCSc1ccc(c(c1F)Cl)Br 62a_100000210623_100010212236 [0,3,0,0,0,0|0,1,0]=4 21267 B13R1.3518 C=CCSc1ccc(c(c1F)Cl)Br 62a_100010212236_100000210623 [0,3,0,0,0,0|0,1,0]=4 21268 B13R1.3518 C=CCSc1ccc(c(c1F)Cl)F 62a_100000210623_200000038702 [0,3,0,0,0,0|0,1,0]=4 21269 B13R1.3518 C=CCSc1ccc(c(c1F)Cl)F 62a_200000038702_100000210623 [0,3,0,0,0,0|0,1,0]=4 21270 B13R1.3518 C=CCSc1ccc(c(c1F)F)Br 62a_100000210623_100010212264 [0,3,0,0,0,0|0,1,0]=4 21271 B13R1.3518 C=CCSc1ccc(c(c1F)F)Br 62a_100010212264_100000210623 [0,3,0,0,0,0|0,1,0]=4 21272 B13R1.3518 C=CCSc1ccc(c(c1F)F)C 62a_100000210623_100012766498 [0,3,0,0,0,0|0,1,0]=4 21273 B13R1.3518 C=CCSc1ccc(c(c1F)F)C 62a_100012766498_100000210623 [0,3,0,0,0,0|0,1,0]=4 21274 B13R1.3518 C=CCSc1ccc(c(c1F)F)F 62a_100000210623_100000750562 [0,3,0,0,0,0|0,1,0]=4 21275 B13R1.3518 C=CCSc1ccc(c(c1F)F)F 62a_100000750562_100000210623 [0,3,0,0,0,0|0,1,0]=4 21276 B13R1.3518 C=CCSc1ccc(c(c1F)F)N 62a_100000210623_100010200256 [0,3,0,0,0,0|0,1,0]=4 21277 B13R1.3518 C=CCSc1ccc(c(c1F)F)N 62a_100010200256_100000210623 [0,3,0,0,0,0|0,1,0]=4 21278 B13R1.3518 C=CCSc1ccc(c(c1F)F)O 62a_100000210623_100011830415 [0,3,0,0,0,0|0,1,0]=4 21279 B13R1.3518 C=CCSc1ccc(c(c1F)F)O 62a_100011830415_100000210623 [0,3,0,0,0,0|0,1,0]=4 21280 B13R1.3518 C=CCSc1ccc(c(c1F)N)F 62a_100000210623_100025793129 [0,3,0,0,0,0|0,1,0]=4 21281 B13R1.3518 C=CCSc1ccc(c(c1F)N)F 62a_100025793129_100000210623 [0,3,0,0,0,0|0,1,0]=4 21282 B13R1.3518 C=CCSc1ccc(c(c1F)N)N 62a_100009814308_100000210623 [0,3,0,0,0,0|0,1,0]=4 21283 B13R1.3518 C=CCSc1ccc(c(c1F)O)Br 62a_100000210623_200010782288 [0,3,0,0,0,0|0,1,0]=4 21284 B13R1.3518 C=CCSc1ccc(c(c1F)O)Br 62a_200010782288_100000210623 [0,3,0,0,0,0|0,1,0]=4 21285 B13R1.3518 C=CCSc1ccc(c(c1F)O)F 62a_100000210623_100010167067 [0,3,0,0,0,0|0,1,0]=4 21286 B13R1.3518 C=CCSc1ccc(c(c1F)O)F 62a_100010167067_100000210623 [0,3,0,0,0,0|0,1,0]=4 21287 B13R1.3518 C=CCSc1ccc(c(c1N)C)F 62a_100000210623_100011009917 [0,3,0,0,0,0|0,1,0]=4 21288 B13R1.3518 C=CCSc1ccc(c(c1N)C)F 62a_100011009917_100000210623 [0,3,0,0,0,0|0,1,0]=4 21289 B13R1.3518 C=CCSc1ccc(c(c1N)F)F 62a_100000210623_100010008850 [0,3,0,0,0,0|0,1,0]=4 21290 B13R1.3518 C=CCSc1ccc(c(c1N)F)F 62a_100010008850_100000210623 [0,3,0,0,0,0|0,1,0]=4 21291 B13R1.3518 C=CCSc1ccc(c(c1N)N)F 62a_100011102919_100000210623 [0,3,0,0,0,0|0,1,0]=4 21292 B13R1.3518 C=CCSc1ccc(c(c1N)O)Br 62a_100020748643_100000210623 [0,3,0,0,0,0|0,1,0]=4 21293 B13R1.3518 C=CCSc1ccc(c(c1O)C)F 62a_100000210623_200010391124 [0,3,0,0,0,0|0,1,0]=4 21294 B13R1.3518 C=CCSc1ccc(c(c1O)C)F 62a_200010391124_100000210623 [0,3,0,0,0,0|0,1,0]=4 21295 B13R1.3518 C=CCSc1ccc(c(c1O)F)C 62a_100000210623_100000722096 [0,3,0,0,0,0|0,1,0]=4 21296 B13R1.3518 C=CCSc1ccc(c(c1O)F)C 62a_100000722096_100000210623 [0,3,0,0,0,0|0,1,0]=4 21297 B13R1.3518 C=CCSc1ccc(c(c1O)F)F 62a_100000210623_100010243909 [0,3,0,0,0,0|0,1,0]=4 21298 B13R1.3518 C=CCSc1ccc(c(c1O)F)F 62a_100010243909_100000210623 [0,3,0,0,0,0|0,1,0]=4 21299 B13R1.3518 Cc1c(ccc(c1C)OCC=O)Br 34a_100012353674_200009817547 [0,3,0,0,0,0|1,0,0]=4 21300 B13R1.3518 Cc1c(ccc(c1C)OCC=O)Br 7a_100012353674_200015260668 [0,3,0,0,0,0|1,0,0]=4 21301 B13R1.3518 Cc1c(ccc(c1C)OCC=O)F 34a_100009847123_200009817547 [0,3,0,0,0,0|1,0,0]=4 21302 B13R1.3518 Cc1c(ccc(c1C)OCC=O)F 7a_100009847123_200015260668 [0,3,0,0,0,0|1,0,0]=4 21303 B13R1.3518 Cc1c(ccc(c1C)OCC=O)I 34a_100011356951_200009817547 [0,3,0,0,0,0|1,0,0]=4 21304 B13R1.3518 Cc1c(ccc(c1C)OCC=O)I 7a_100011356951_200015260668 [0,3,0,0,0,0|1,0,0]=4 21305 B13R1.3518 Cc1c(ccc(c1C)OCC=O)N 34a_200011216674_200009817547 [0,3,0,0,0,0|1,0,0]=4 21306 B13R1.3518 Cc1c(ccc(c1C)OCC=O)N 7a_200011216674_200015260668 [0,3,0,0,0,0|1,0,0]=4 21307 B13R1.3518 Cc1c(ccc(c1Cl)OCC=O)Br 34a_100021574527_200009817547 [0,3,0,0,0,0|1,0,0]=4 21308 B13R1.3518 Cc1c(ccc(c1Cl)OCC=O)Br 7a_100021574527_200015260668 [0,3,0,0,0,0|1,0,0]=4 21309 B13R1.3518 Cc1c(ccc(c1F)Br)OCC=O 34a_100010390934_200009817547 [0,3,0,0,0,0|1,0,0]=4 21310 B13R1.3518 Cc1c(ccc(c1F)Br)OCC=O 7a_100010390934_200015260668 [0,3,0,0,0,0|1,0,0]=4 21311 B13R1.3518 Cc1c(ccc(c1F)N)OCC=O 34a_200000126710_200009817547 [0,3,0,0,0,0|1,0,0]=4 21312 B13R1.3518 Cc1c(ccc(c1F)N)OCC=O 7a_200000126710_200015260668 [0,3,0,0,0,0|1,0,0]=4 21313 B13R1.3518 Cc1c(ccc(c1N)OCC=O)Br 34a_100013039247_200009817547 [0,3,0,0,0,0|1,0,0]=4 21314 B13R1.3518 Cc1c(ccc(c1N)OCC=O)Br 7a_100013039247_200015260668 [0,3,0,0,0,0|1,0,0]=4 21315 B13R1.3518 Cc1ccc(c(c1Br)C)OCC=O 34a_100010659238_200009817547 [0,3,0,0,0,0|1,0,0]=4 21316 B13R1.3518 Cc1ccc(c(c1Br)C)OCC=O 7a_100010659238_200015260668 [0,3,0,0,0,0|1,0,0]=4 21317 B13R1.3518 Cc1ccc(c(c1F)F)OCC=O 34a_100000036877_200009817547 [0,3,0,0,0,0|1,0,0]=4 21318 B13R1.3518 Cc1ccc(c(c1F)F)OCC=O 7a_100000036877_200015260668 [0,3,0,0,0,0|1,0,0]=4 21319 B13R1.3518 Nc1c(ccc(c1Cl)OCC=O)Cl 34a_100016988457_200009817547 [0,3,0,0,0,0|1,0,0]=4 21320 B13R1.3518 Nc1c(ccc(c1Cl)OCC=O)Cl 7a_100016988457_200015260668 [0,3,0,0,0,0|1,0,0]=4 21321 B13R1.3518 Nc1ccc(c(c1Cl)Cl)OCC=O 34a_100012017499_200009817547 [0,3,0,0,0,0|1,0,0]=4 21322 B13R1.3518 Nc1ccc(c(c1Cl)Cl)OCC=O 7a_100012017499_200015260668 [0,3,0,0,0,0|1,0,0]=4 21323 B13R1.3518 Nc1ccc(c(c1F)Cl)OCC=O 34a_200000098347_200009817547 [0,3,0,0,0,0|1,0,0]=4 21324 B13R1.3518 Nc1ccc(c(c1F)Cl)OCC=O 7a_200000098347_200015260668 [0,3,0,0,0,0|1,0,0]=4 21325 B13R1.3518 Nc1ccc(c(c1F)F)OCC=O 34a_100015204651_200009817547 [0,3,0,0,0,0|1,0,0]=4 21326 B13R1.3518 Nc1ccc(c(c1F)F)OCC=O 7a_100015204651_200015260668 [0,3,0,0,0,0|1,0,0]=4 21327 B13R1.3518 O=CCOc1ccc(c(c1Cl)Cl)Br 34a_100011988769_200009817547 [0,3,0,0,0,0|1,0,0]=4 21328 B13R1.3518 O=CCOc1ccc(c(c1Cl)Cl)Br 7a_100011988769_200015260668 [0,3,0,0,0,0|1,0,0]=4 21329 B13R1.3518 O=CCOc1ccc(c(c1Cl)Cl)Cl 34a_200011215298_200009817547 [0,3,0,0,0,0|1,0,0]=4 21330 B13R1.3518 O=CCOc1ccc(c(c1Cl)Cl)Cl 7a_200011215298_200015260668 [0,3,0,0,0,0|1,0,0]=4 21331 B13R1.3518 O=CCOc1ccc(c(c1Cl)F)Br 34a_100010245746_200009817547 [0,3,0,0,0,0|1,0,0]=4 21332 B13R1.3518 O=CCOc1ccc(c(c1Cl)F)Br 7a_100010245746_200015260668 [0,3,0,0,0,0|1,0,0]=4 21333 B13R1.3518 O=CCOc1ccc(c(c1F)F)Br 34a_100011830415_200009817547 [0,3,0,0,0,0|1,0,0]=4 21334 B13R1.3518 O=CCOc1ccc(c(c1F)F)Br 7a_100011830415_200015260668 [0,3,0,0,0,0|1,0,0]=4 21335 B13R1.3518 O=CCOc1ccc(c(c1F)F)F 34a_100000230025_200009817547 [0,3,0,0,0,0|1,0,0]=4 21336 B13R1.3518 O=CCOc1ccc(c(c1F)F)F 7a_100000230025_200015260668 [0,3,0,0,0,0|1,0,0]=4 21337 B13R1.3518 O=CCOc1ccc(c(c1F)F)I 34a_200011356956_200009817547 [0,3,0,0,0,0|1,0,0]=4 21338 B13R1.3518 O=CCOc1ccc(c(c1F)F)I 7a_200011356956_200015260668 [0,3,0,0,0,0|1,0,0]=4 21339 B13R1.74 C=C(C)c1ccc(cc1)OCC=O 34a_100009880102_200009817547 [0,3,0,0,0,0|1,0,0]=4 21340 B13R1.74 C=C(C)c1ccc(cc1)OCC=O 7a_100009880102_200015260668 [0,3,0,0,0,0|1,0,0]=4 21341 B13R1.74 C=CCNc1ccc(cc1)C(=O)N 27a_100020586998_100000162191 [0,3,0,0,0,0|1,0,0]=4 21342 B13R1.74 C=CCNc1ccc(cc1)C(=O)N 34a_100000210537_100015514636 [0,3,0,0,0,0|1,0,0]=4 21343 B13R1.74 C=CCNc1ccc(cc1)C(C)C 2230a_100000210773_100000210623 [0,3,0,0,0,0|1,0,0]=4 21344 B13R1.74 C=CCNc1ccc(cc1)C(C)C 34a_100000210773_100015514636 [0,3,0,0,0,0|1,0,0]=4 21345 B13R1.74 C=CCNc1ccc(cc1)C(C)C 7a_100000210773_100015514636 [0,3,0,0,0,0|1,0,0]=4 21346 B13R1.74 C=CCNc1ccc(cc1)C(C)O 2230a_100011216399_100000210623 [0,3,0,0,0,0|1,0,0]=4 21347 B13R1.74 C=CCNc1ccc(cc1)C(C)O 34a_100011216399_100015514636 [0,3,0,0,0,0|1,0,0]=4 21348 B13R1.74 C=CCNc1ccc(cc1)C(F)F 34a_100020620101_100015514636 [0,3,0,0,0,0|1,0,0]=4 21349 B13R1.74 C=CCNc1ccc(cc1)C(F)F 7a_100020620101_100015514636 [0,3,0,0,0,0|1,0,0]=4 21350 B13R1.74 C=CCNc1ccc(cc1)N(C)C 34a_100016997997_100015514636 [0,3,0,0,0,0|1,0,0]=4 21351 B13R1.74 C=CCNc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_100000210623 [0,3,0,0,0,0|1,0,0]=4 21352 B13R1.74 C=CCNc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_100015514636 [0,3,0,0,0,0|1,0,0]=4 21353 B13R1.74 C=CCOc1ccc(cc1)C(=C)C 271570a_100000694244_100000172055 [0,3,0,0,0,0|0,0,0]=3 21354 B13R1.74 C=CCOc1ccc(cc1)C(=C)C 34a_100009880102_100015514636 [0,3,0,0,0,0|0,0,0]=3 21355 B13R1.74 C=CCOc1ccc(cc1)C(=C)C 7a_100009880102_100015514636 [0,3,0,0,0,0|0,0,0]=3 21356 B13R1.74 C=CCOc1ccc(cc1)C(=O)C 1458a_100000216320_200000210301 [0,3,0,0,0,0|0,0,0]=3 21357 B13R1.74 C=CCOc1ccc(cc1)C(=O)C 34a_100000185113_100015514636 [0,3,0,0,0,0|0,0,0]=3 21358 B13R1.74 C=CCOc1ccc(cc1)C(=O)C 7a_100000185113_100015514636 [0,3,0,0,0,0|0,0,0]=3 21359 B13R1.74 C=CCOc1ccc(cc1)C(=O)N 34a_100000746352_100015514636 [0,3,0,0,0,0|0,0,0]=3 21360 B13R1.74 C=CCOc1ccc(cc1)C(=O)N 7a_100000746352_100015514636 [0,3,0,0,0,0|0,0,0]=3 21361 B13R1.74 C=CCOc1ccc(cc1)C(=O)[13CH3] 1458a_100000216320_200025704644 [0,3,0,0,0,0|0,0,0]=3 21362 B13R1.74 C=CCOc1ccc(cc1)C(C)C 34a_100000181308_100015514636 [0,3,0,0,0,0|0,0,0]=3 21363 B13R1.74 C=CCOc1ccc(cc1)C(C)C 7a_100000181308_100015514636 [0,3,0,0,0,0|0,0,0]=3 21364 B13R1.74 C=CCOc1ccc(cc1)C(C)O 34a_100000754508_100015514636 [0,3,0,0,0,0|0,0,0]=3 21365 B13R1.74 C=CCOc1ccc(cc1)C(C)O 7a_100000754508_100015514636 [0,3,0,0,0,0|0,0,0]=3 21366 B13R1.74 C=CCOc1ccc(cc1)N(C)C 34a_100000718910_100015514636 [0,3,0,0,0,0|0,0,0]=3 21367 B13R1.74 C=CCOc1ccc(cc1)S(=O)C 34a_200000064373_100015514636 [0,3,0,0,0,0|0,0,0]=3 21368 B13R1.74 C=CCOc1ccc(cc1)S(=O)C 7a_200000064373_100015514636 [0,3,0,0,0,0|0,0,0]=3 21369 B13R1.74 C=CCOc1ccc(cc1)[C@H](C)N 34a_100161106496_100015514636 [0,3,0,0,0,0|0,0,0]=3 21370 B13R1.74 C=CCOc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_100015514636 [0,3,0,0,0,0|0,0,0]=3 21371 B13R1.74 C=CCOc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100015514636 [0,3,0,0,0,0|0,0,0]=3 21372 B13R1.74 C=CCOc1ccc(cc1)[S+](C)C 34a_100010188728_100015514636 [0,3,0,0,0,0|0,0,0]=3 21373 B13R1.74 C=CCOc1ccc(cc1)[S+](C)C 7a_100010188728_100015514636 [0,3,0,0,0,0|0,0,0]=3 21374 B13R1.74 C=CCOc1ccc(nc1)C(=O)C 34a_100012001710_100015514636 [0,3,0,0,0,0|1,0,0]=4 21375 B13R1.74 C=CCOc1ccc(nc1)C(=O)C 7a_100012001710_100015514636 [0,3,0,0,0,0|1,0,0]=4 21376 B13R1.74 C=CCOc1ccc(nc1)[N+](=O)[O-] 7a_100000060138_100015514636 [0,3,0,0,0,0|1,0,0]=4 21377 B13R1.74 C=CCSc1ccc(cc1)B(O)O 62a_100000210623_100000754493 [0,3,0,0,0,0|0,1,0]=4 21378 B13R1.74 C=CCSc1ccc(cc1)B(O)O 62a_100000754493_100000210623 [0,3,0,0,0,0|0,1,0]=4 21379 B13R1.74 C=CCSc1ccc(cc1)C(=C)C 62a_100000185454_100000210623 [0,3,0,0,0,0|0,1,0]=4 21380 B13R1.74 C=CCSc1ccc(cc1)C(=C)C 62a_100000210623_100000185454 [0,3,0,0,0,0|0,1,0]=4 21381 B13R1.74 C=CCSc1ccc(cc1)C(=O)C 62a_100000185465_100000210623 [0,3,0,0,0,0|0,1,0]=4 21382 B13R1.74 C=CCSc1ccc(cc1)C(=O)C 62a_100000210623_100000185465 [0,3,0,0,0,0|0,1,0]=4 21383 B13R1.74 C=CCSc1ccc(cc1)C(=O)N 62a_100000162191_100000210623 [0,3,0,0,0,0|0,1,0]=4 21384 B13R1.74 C=CCSc1ccc(cc1)C(=O)N 62a_100000210623_100000162191 [0,3,0,0,0,0|0,1,0]=4 21385 B13R1.74 C=CCSc1ccc(cc1)C(C)C 62a_100000210623_100000750031 [0,3,0,0,0,0|0,1,0]=4 21386 B13R1.74 C=CCSc1ccc(cc1)C(C)C 62a_100000750031_100000210623 [0,3,0,0,0,0|0,1,0]=4 21387 B13R1.74 C=CCSc1ccc(cc1)C(C)O 62a_100000210623_100000745893 [0,3,0,0,0,0|0,1,0]=4 21388 B13R1.74 C=CCSc1ccc(cc1)C(C)O 62a_100000745893_100000210623 [0,3,0,0,0,0|0,1,0]=4 21389 B13R1.74 C=CCSc1ccc(cc1)C(F)F 62a_100000210623_100000687661 [0,3,0,0,0,0|0,1,0]=4 21390 B13R1.74 C=CCSc1ccc(cc1)C(F)F 62a_100000687661_100000210623 [0,3,0,0,0,0|0,1,0]=4 21391 B13R1.74 C=CCSc1ccc(cc1)N(C)C 62a_100000210421_100000210623 [0,3,0,0,0,0|0,1,0]=4 21392 B13R1.74 C=CCSc1ccc(cc1)N(C)C 62a_100000210623_100000210421 [0,3,0,0,0,0|0,1,0]=4 21393 B13R1.74 C=CCSc1ccc(cc1)S(=O)C 62a_100009816266_100000210623 [0,3,0,0,0,0|0,1,0]=4 21394 B13R1.74 C=CCSc1ccc(cc1)[C@@H](C)N 62a_100000210623_100000720352 [0,3,0,0,0,0|0,1,0]=4 21395 B13R1.74 C=CCSc1ccc(cc1)[C@@H](C)N 62a_100000720352_100000210623 [0,3,0,0,0,0|0,1,0]=4 21396 B13R1.74 C=CCSc1ccc(cc1)[C@H](C)N 62a_100000210623_100000753911 [0,3,0,0,0,0|0,1,0]=4 21397 B13R1.74 C=CCSc1ccc(cc1)[C@H](C)N 62a_100000753911_100000210623 [0,3,0,0,0,0|0,1,0]=4 21398 B13R1.74 CC(=O)c1ccc(cc1)OCC=O 34a_100000185113_200009817547 [0,3,0,0,0,0|1,0,0]=4 21399 B13R1.74 CC(=O)c1ccc(cc1)OCC=O 7a_100000185113_200015260668 [0,3,0,0,0,0|1,0,0]=4 21400 B13R1.74 CC(C)c1ccc(cc1)OCC=O 34a_100000181308_200009817547 [0,3,0,0,0,0|1,0,0]=4 21401 B13R1.74 CC(C)c1ccc(cc1)OCC=O 7a_100000181308_200015260668 [0,3,0,0,0,0|1,0,0]=4 21402 B13R1.74 CC(O)c1ccc(cc1)OCC=O 34a_100000754508_200009817547 [0,3,0,0,0,0|1,0,0]=4 21403 B13R1.74 CC(O)c1ccc(cc1)OCC=O 7a_100000754508_200015260668 [0,3,0,0,0,0|1,0,0]=4 21404 B13R1.74 CN(C)c1ccc(cc1)OCC=O 34a_100000718910_200009817547 [0,3,0,0,0,0|1,0,0]=4 21405 B13R1.74 CS(=O)c1ccc(cc1)OCC=O 34a_200000064373_200009817547 [0,3,0,0,0,0|1,0,0]=4 21406 B13R1.74 CS(=O)c1ccc(cc1)OCC=O 7a_200000064373_200015260668 [0,3,0,0,0,0|1,0,0]=4 21407 B13R1.74 C[C@H](N)c1ccc(cc1)OCC=O 34a_100161106496_200009817547 [0,3,0,0,0,0|1,0,0]=4 21408 B13R1.74 C[S+](C)c1ccc(cc1)OCC=O 34a_100010188728_200009817547 [0,3,0,0,0,0|1,0,0]=4 21409 B13R1.74 C[S+](C)c1ccc(cc1)OCC=O 7a_100010188728_200015260668 [0,3,0,0,0,0|1,0,0]=4 21410 B13R1.74 NC(=O)c1ccc(cc1)OCC=O 34a_100000746352_200009817547 [0,3,0,0,0,0|1,0,0]=4 21411 B13R1.74 NC(=O)c1ccc(cc1)OCC=O 7a_100000746352_200015260668 [0,3,0,0,0,0|1,0,0]=4 21412 B13R1.74 O=CCOc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_200009817547 [0,3,0,0,0,0|1,0,0]=4 21413 B13R1.74 O=CCOc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_200015260668 [0,3,0,0,0,0|1,0,0]=4 21414 B13R1.77 C=C=Cc1ccc(cc1)OCC=C 271570a_100015277604_100000172055 [0,3,0,0,0,0|0,0,0]=3 21415 B13R1.77 C=CCNc1ccc(cc1)CC#N 34a_100000198999_100015514636 [0,3,0,0,0,0|1,0,0]=4 21416 B13R1.77 C=CCNc1ccc(cc1)CCC 2230a_100000211780_100000210623 [0,3,0,0,0,0|1,0,0]=4 21417 B13R1.77 C=CCNc1ccc(cc1)CCC 34a_100000211780_100015514636 [0,3,0,0,0,0|1,0,0]=4 21418 B13R1.77 C=CCNc1ccc(cc1)CCO 2230a_100011204434_100000210623 [0,3,0,0,0,0|1,0,0]=4 21419 B13R1.77 C=CCNc1ccc(cc1)CCO 34a_100011204434_100015514636 [0,3,0,0,0,0|1,0,0]=4 21420 B13R1.77 C=CCNc1ccc(cc1)COC 34a_100000694113_100015514636 [0,3,0,0,0,0|1,0,0]=4 21421 B13R1.77 C=CCNc1ccc(cc1)CSC 2230a_106726388226_100000210623 [0,3,0,0,0,0|1,0,0]=4 21422 B13R1.77 C=CCNc1ccc(cc1)CSC 34a_106726388226_100015514636 [0,3,0,0,0,0|1,0,0]=4 21423 B13R1.77 C=CCNc1ccc(cc1)CSC 7a_106726388226_100015514636 [0,3,0,0,0,0|1,0,0]=4 21424 B13R1.77 C=CCNc1ccc(cc1)N=[N+]=[N-] 2230a_100000032754_100000210623 [0,3,0,0,0,0|1,0,0]=4 21425 B13R1.77 C=CCNc1ccc(cc1)OCC 2230a_100000739623_100000210623 [0,3,0,0,0,0|1,0,0]=4 21426 B13R1.77 C=CCNc1ccc(cc1)OCC 34a_100000739623_100015514636 [0,3,0,0,0,0|1,0,0]=4 21427 B13R1.77 C=CCNc1ccc(cc1)SCC 34a_100015187087_100015514636 [0,3,0,0,0,0|1,0,0]=4 21428 B13R1.77 C=CCOc1ccc(cc1)C=CC 271570a_100016259895_100000172055 [0,3,0,0,0,0|0,0,0]=3 21429 B13R1.77 C=CCOc1ccc(cc1)CC#N 34a_100000198970_100015514636 [0,3,0,0,0,0|0,0,0]=3 21430 B13R1.77 C=CCOc1ccc(cc1)CC#N 7a_100000198970_100015514636 [0,3,0,0,0,0|0,0,0]=3 21431 B13R1.77 C=CCOc1ccc(cc1)CC=C 34a_100000078792_100015514636 [0,3,0,0,0,0|0,0,0]=3 21432 B13R1.77 C=CCOc1ccc(cc1)CC=C 7a_100000078792_100015514636 [0,3,0,0,0,0|0,0,0]=3 21433 B13R1.77 C=CCOc1ccc(cc1)CCBr 34a_100009816426_100015514636 [0,3,0,0,0,0|0,0,0]=3 21434 B13R1.77 C=CCOc1ccc(cc1)CCBr 7a_100009816426_100015514636 [0,3,0,0,0,0|0,0,0]=3 21435 B13R1.77 C=CCOc1ccc(cc1)CCC 34a_100000749406_100015514636 [0,3,0,0,0,0|0,0,0]=3 21436 B13R1.77 C=CCOc1ccc(cc1)CCC 7a_100000749406_100015514636 [0,3,0,0,0,0|0,0,0]=3 21437 B13R1.77 C=CCOc1ccc(cc1)CCN 34a_100000743037_100015514636 [0,3,0,0,0,0|0,0,0]=3 21438 B13R1.77 C=CCOc1ccc(cc1)CCO 34a_100011215338_100015514636 [0,3,0,0,0,0|0,0,0]=3 21439 B13R1.77 C=CCOc1ccc(cc1)CCO 7a_100011215338_100015514636 [0,3,0,0,0,0|0,0,0]=3 21440 B13R1.77 C=CCOc1ccc(cc1)CNC 207a_100102657272_100000172049 [0,3,0,0,0,0|0,0,0]=3 21441 B13R1.77 C=CCOc1ccc(cc1)CNC 270004a_106832991635_100000172049 [0,3,0,0,0,0|0,0,0]=3 21442 B13R1.77 C=CCOc1ccc(cc1)CNC 34a_100000207500_100015514636 [0,3,0,0,0,0|0,0,0]=3 21443 B13R1.77 C=CCOc1ccc(cc1)COC 34a_200011995677_100015514636 [0,3,0,0,0,0|0,0,0]=3 21444 B13R1.77 C=CCOc1ccc(cc1)COC 7a_200011995677_100015514636 [0,3,0,0,0,0|0,0,0]=3 21445 B13R1.77 C=CCOc1ccc(cc1)NCC 34a_100011337800_100015514636 [0,3,0,0,0,0|0,0,0]=3 21446 B13R1.77 C=CCOc1ccc(cc1)NCC 7a_100011337800_100015514636 [0,3,0,0,0,0|0,0,0]=3 21447 B13R1.77 C=CCOc1ccc(cc1)OCC 34a_100000185467_100015514636 [0,3,0,0,0,0|0,0,0]=3 21448 B13R1.77 C=CCOc1ccc(cc1)SCC 62a_100000172055_100000210202 [0,3,0,0,0,0|0,0,0]=3 21449 B13R1.77 C=CCOc1ccc(cc1)SCC 62a_100000210202_100000172055 [0,3,0,0,0,0|0,0,0]=3 21450 B13R1.77 C=CCOc1ccc(cc1)SCF 62a_100000172055_100015361967 [0,3,0,0,0,0|0,0,0]=3 21451 B13R1.77 C=CCOc1ccc(cc1)SCF 62a_100015361967_100000172055 [0,3,0,0,0,0|0,0,0]=3 21452 B13R1.77 C=CCSc1ccc(cc1)/C=C/Br 62a_100000210623_200016255901 [0,3,0,0,0,0|0,1,0]=4 21453 B13R1.77 C=CCSc1ccc(cc1)/C=C/Br 62a_200016255901_100000210623 [0,3,0,0,0,0|0,1,0]=4 21454 B13R1.77 C=CCSc1ccc(cc1)/C=C/C 62a_100000210623_100016259036 [0,3,0,0,0,0|0,1,0]=4 21455 B13R1.77 C=CCSc1ccc(cc1)/C=C/C 62a_100016259036_100000210623 [0,3,0,0,0,0|0,1,0]=4 21456 B13R1.77 C=CCSc1ccc(cc1)CC#N 62a_100000210623_100011217881 [0,3,0,0,0,0|0,1,0]=4 21457 B13R1.77 C=CCSc1ccc(cc1)CC#N 62a_100011217881_100000210623 [0,3,0,0,0,0|0,1,0]=4 21458 B13R1.77 C=CCSc1ccc(cc1)CC=O 62a_100000210623_100011361690 [0,3,0,0,0,0|0,1,0]=4 21459 B13R1.77 C=CCSc1ccc(cc1)CC=O 62a_100011361690_100000210623 [0,3,0,0,0,0|0,1,0]=4 21460 B13R1.77 C=CCSc1ccc(cc1)CCC 62a_100000210623_100000750032 [0,3,0,0,0,0|0,1,0]=4 21461 B13R1.77 C=CCSc1ccc(cc1)CCC 62a_100000750032_100000210623 [0,3,0,0,0,0|0,1,0]=4 21462 B13R1.77 C=CCSc1ccc(cc1)CCN 62a_100000210623_100000755846 [0,3,0,0,0,0|0,1,0]=4 21463 B13R1.77 C=CCSc1ccc(cc1)CCN 62a_100000755846_100000210623 [0,3,0,0,0,0|0,1,0]=4 21464 B13R1.77 C=CCSc1ccc(cc1)CCO 62a_100000210623_100000766406 [0,3,0,0,0,0|0,1,0]=4 21465 B13R1.77 C=CCSc1ccc(cc1)CCO 62a_100000766406_100000210623 [0,3,0,0,0,0|0,1,0]=4 21466 B13R1.77 C=CCSc1ccc(cc1)CNC 62a_100000180866_100000210623 [0,3,0,0,0,0|0,1,0]=4 21467 B13R1.77 C=CCSc1ccc(cc1)CNC 62a_100000210623_100000180866 [0,3,0,0,0,0|0,1,0]=4 21468 B13R1.77 C=CCSc1ccc(cc1)CNN 62a_100000210623_100016993955 [0,3,0,0,0,0|0,1,0]=4 21469 B13R1.77 C=CCSc1ccc(cc1)CNN 62a_100016993955_100000210623 [0,3,0,0,0,0|0,1,0]=4 21470 B13R1.77 C=CCSc1ccc(cc1)COC 62a_100000210623_100011493685 [0,3,0,0,0,0|0,1,0]=4 21471 B13R1.77 C=CCSc1ccc(cc1)COC 62a_100011493685_100000210623 [0,3,0,0,0,0|0,1,0]=4 21472 B13R1.77 C=CCSc1ccc(cc1)N=[N+]=[N-] 62a_100000210623_100000735661 [0,3,0,0,0,0|0,1,0]=4 21473 B13R1.77 C=CCSc1ccc(cc1)NC#N 62a_100000210623_100011685341 [0,3,0,0,0,0|0,1,0]=4 21474 B13R1.77 C=CCSc1ccc(cc1)NCC 62a_100000210623_100000219632 [0,3,0,0,0,0|0,1,0]=4 21475 B13R1.77 C=CCSc1ccc(cc1)OC=C 62a_100000210623_100000704263 [0,3,0,0,0,0|0,1,0]=4 21476 B13R1.77 C=CCSc1ccc(cc1)OC=C 62a_100000704263_100000210623 [0,3,0,0,0,0|0,1,0]=4 21477 B13R1.77 C=CCSc1ccc(cc1)OCC 62a_100000210623_100000171712 [0,3,0,0,0,0|0,1,0]=4 21478 B13R1.77 C=CCSc1ccc(cc1)SCC 62a_100000210623_200009811893 [0,3,0,0,0,0|0,1,0]=4 21479 B13R1.77 C=CCSc1ccc(cc1)SCC 62a_200009811893_100000210623 [0,3,0,0,0,0|0,1,0]=4 21480 B13R1.77 C=CCc1ccc(cc1)OCC=O 34a_100000078792_200009817547 [0,3,0,0,0,0|1,0,0]=4 21481 B13R1.77 C=CCc1ccc(cc1)OCC=O 7a_100000078792_200015260668 [0,3,0,0,0,0|1,0,0]=4 21482 B13R1.77 CCCc1ccc(cc1)OCC=O 34a_100000749406_200009817547 [0,3,0,0,0,0|1,0,0]=4 21483 B13R1.77 CCCc1ccc(cc1)OCC=O 7a_100000749406_200015260668 [0,3,0,0,0,0|1,0,0]=4 21484 B13R1.77 CCNc1ccc(cc1)OCC=O 34a_100011337800_200009817547 [0,3,0,0,0,0|1,0,0]=4 21485 B13R1.77 CCNc1ccc(cc1)OCC=O 7a_100011337800_200015260668 [0,3,0,0,0,0|1,0,0]=4 21486 B13R1.77 CCOc1ccc(cc1)OCC=O 34a_100000185467_200009817547 [0,3,0,0,0,0|1,0,0]=4 21487 B13R1.77 CNCc1ccc(cc1)OCC=O 34a_100000207500_200009817547 [0,3,0,0,0,0|1,0,0]=4 21488 B13R1.77 COCc1ccc(cc1)OCC=O 34a_200011995677_200009817547 [0,3,0,0,0,0|1,0,0]=4 21489 B13R1.77 COCc1ccc(cc1)OCC=O 7a_200011995677_200015260668 [0,3,0,0,0,0|1,0,0]=4 21490 B13R1.77 N#CCc1ccc(cc1)OCC=O 34a_100000198970_200009817547 [0,3,0,0,0,0|1,0,0]=4 21491 B13R1.77 N#CCc1ccc(cc1)OCC=O 7a_100000198970_200015260668 [0,3,0,0,0,0|1,0,0]=4 21492 B13R1.77 NCCc1ccc(cc1)OCC=O 34a_100000743037_200009817547 [0,3,0,0,0,0|1,0,0]=4 21493 B13R1.77 O=CCOc1ccc(cc1)CCBr 34a_100009816426_200009817547 [0,3,0,0,0,0|1,0,0]=4 21494 B13R1.77 O=CCOc1ccc(cc1)CCBr 7a_100009816426_200015260668 [0,3,0,0,0,0|1,0,0]=4 21495 B13R1.77 O=CCOc1ccc(cc1)CCO 34a_100011215338_200009817547 [0,3,0,0,0,0|1,0,0]=4 21496 B13R1.77 O=CCOc1ccc(cc1)CCO 7a_100011215338_200015260668 [0,3,0,0,0,0|1,0,0]=4 21497 B13R1.577 C#Cc1ccc(cc1Cl)NCC=C 2230a_100012001888_100000210623 [0,3,0,0,0,0|1,0,0]=4 21498 B13R1.577 C#Cc1ccc(cc1Cl)NCC=C 34a_100012001888_100015514636 [0,3,0,0,0,0|1,0,0]=4 21499 B13R1.577 C#Cc1ccc(cc1F)NCC=C 2230a_100012001886_100000210623 [0,3,0,0,0,0|1,0,0]=4 21500 B13R1.577 C#Cc1ccc(cc1F)NCC=C 34a_100012001886_100015514636 [0,3,0,0,0,0|1,0,0]=4 21501 B13R1.577 C=CCNc1ccc(c(c1)Br)C#N 27a_100020586998_100012349582 [0,3,0,0,0,0|1,0,0]=4 21502 B13R1.577 C=CCNc1ccc(c(c1)Br)C#N 34a_100000689153_100015514636 [0,3,0,0,0,0|1,0,0]=4 21503 B13R1.577 C=CCNc1ccc(c(c1)Br)C#N 7a_100000689153_100015514636 [0,3,0,0,0,0|1,0,0]=4 21504 B13R1.577 C=CCNc1ccc(c(c1)Br)OC 34a_100000187427_100015514636 [0,3,0,0,0,0|1,0,0]=4 21505 B13R1.577 C=CCNc1ccc(c(c1)C)C#N 34a_100011999795_100015514636 [0,3,0,0,0,0|1,0,0]=4 21506 B13R1.577 C=CCNc1ccc(c(c1)C)C#N 7a_100011999795_100015514636 [0,3,0,0,0,0|1,0,0]=4 21507 B13R1.577 C=CCNc1ccc(c(c1)C)CO 34a_100000102464_100015514636 [0,3,0,0,0,0|1,0,0]=4 21508 B13R1.577 C=CCNc1ccc(c(c1)C)OC 2230a_100000743268_100000210623 [0,3,0,0,0,0|1,0,0]=4 21509 B13R1.577 C=CCNc1ccc(c(c1)C)OC 34a_100000743268_100015514636 [0,3,0,0,0,0|1,0,0]=4 21510 B13R1.577 C=CCNc1ccc(c(c1)C)OC 7a_100000743268_100015514636 [0,3,0,0,0,0|1,0,0]=4 21511 B13R1.577 C=CCNc1ccc(c(c1)Cl)C#N 34a_100000211542_100015514636 [0,3,0,0,0,0|1,0,0]=4 21512 B13R1.577 C=CCNc1ccc(c(c1)Cl)C#N 7a_100000211542_100015514636 [0,3,0,0,0,0|1,0,0]=4 21513 B13R1.577 C=CCNc1ccc(c(c1)Cl)CC 2230a_100000766362_100000210623 [0,3,0,0,0,0|1,0,0]=4 21514 B13R1.577 C=CCNc1ccc(c(c1)Cl)CC 34a_100000766362_100015514636 [0,3,0,0,0,0|1,0,0]=4 21515 B13R1.577 C=CCNc1ccc(c(c1)Cl)CC 7a_100000766362_100015514636 [0,3,0,0,0,0|1,0,0]=4 21516 B13R1.577 C=CCNc1ccc(c(c1)Cl)CO 34a_100000689119_100015514636 [0,3,0,0,0,0|1,0,0]=4 21517 B13R1.577 C=CCNc1ccc(c(c1)Cl)OC 2230a_100000211044_100000210623 [0,3,0,0,0,0|1,0,0]=4 21518 B13R1.577 C=CCNc1ccc(c(c1)Cl)OC 34a_100000211044_100015514636 [0,3,0,0,0,0|1,0,0]=4 21519 B13R1.577 C=CCNc1ccc(c(c1)F)C#N 27a_100020586998_100000037869 [0,3,0,0,0,0|1,0,0]=4 21520 B13R1.577 C=CCNc1ccc(c(c1)F)C#N 34a_100000765089_100015514636 [0,3,0,0,0,0|1,0,0]=4 21521 B13R1.577 C=CCNc1ccc(c(c1)F)C#N 7a_100000765089_100015514636 [0,3,0,0,0,0|1,0,0]=4 21522 B13R1.577 C=CCNc1ccc(c(c1)F)OC 2230a_100000740183_100000210623 [0,3,0,0,0,0|1,0,0]=4 21523 B13R1.577 C=CCNc1ccc(c(c1)F)OC 34a_100000740183_100015514636 [0,3,0,0,0,0|1,0,0]=4 21524 B13R1.577 C=CCNc1ccc(c(c1)F)SC 2230a_100000762756_100000210623 [0,3,0,0,0,0|1,0,0]=4 21525 B13R1.577 C=CCNc1ccc(c(c1)F)SC 34a_100000762756_100015514636 [0,3,0,0,0,0|1,0,0]=4 21526 B13R1.577 C=CCNc1ccc(c(c1)I)OC 34a_100011356947_100015514636 [0,3,0,0,0,0|1,0,0]=4 21527 B13R1.577 C=CCNc1ccc(c(c1)O)C#N 34a_100000094571_100015514636 [0,3,0,0,0,0|1,0,0]=4 21528 B13R1.577 C=CCNc1ccc(c(c1)O)C#N 7a_100000094571_100015514636 [0,3,0,0,0,0|1,0,0]=4 21529 B13R1.577 C=CCNc1ccc(c(c1)O)OC 34a_100000211920_100015514636 [0,3,0,0,0,0|1,0,0]=4 21530 B13R1.577 C=CCOc1ccc(c(c1)Br)C#N 34a_100012184851_100015514636 [0,3,0,0,0,0|0,0,0]=3 21531 B13R1.577 C=CCOc1ccc(c(c1)Br)C#N 7a_100012184851_100015514636 [0,3,0,0,0,0|0,0,0]=3 21532 B13R1.577 C=CCOc1ccc(c(c1)Br)CO 34a_100010146404_100015514636 [0,3,0,0,0,0|0,0,0]=3 21533 B13R1.577 C=CCOc1ccc(c(c1)Br)CO 7a_100010146404_100015514636 [0,3,0,0,0,0|0,0,0]=3 21534 B13R1.577 C=CCOc1ccc(c(c1)Br)OC 34a_100010234764_100015514636 [0,3,0,0,0,0|0,0,0]=3 21535 B13R1.577 C=CCOc1ccc(c(c1)Br)OC 7a_100010234764_100015514636 [0,3,0,0,0,0|0,0,0]=3 21536 B13R1.577 C=CCOc1ccc(c(c1)C)C#N 34a_100000720286_100015514636 [0,3,0,0,0,0|0,0,0]=3 21537 B13R1.577 C=CCOc1ccc(c(c1)C)C#N 7a_100000720286_100015514636 [0,3,0,0,0,0|0,0,0]=3 21538 B13R1.577 C=CCOc1ccc(c(c1)C)NC 34a_100161107805_100015514636 [0,3,0,0,0,0|0,0,0]=3 21539 B13R1.577 C=CCOc1ccc(c(c1)C)NC 7a_100161107805_100015514636 [0,3,0,0,0,0|0,0,0]=3 21540 B13R1.577 C=CCOc1ccc(c(c1)C)OC 34a_100000759738_100015514636 [0,3,0,0,0,0|0,0,0]=3 21541 B13R1.577 C=CCOc1ccc(c(c1)C)OC 7a_100000759738_100015514636 [0,3,0,0,0,0|0,0,0]=3 21542 B13R1.577 C=CCOc1ccc(c(c1)C)SC 34a_100000030144_100015514636 [0,3,0,0,0,0|0,0,0]=3 21543 B13R1.577 C=CCOc1ccc(c(c1)Cl)C#N 34a_100000716493_100015514636 [0,3,0,0,0,0|0,0,0]=3 21544 B13R1.577 C=CCOc1ccc(c(c1)Cl)C#N 7a_100000716493_100015514636 [0,3,0,0,0,0|0,0,0]=3 21545 B13R1.577 C=CCOc1ccc(c(c1)Cl)CC 34a_100009886192_100015514636 [0,3,0,0,0,0|0,0,0]=3 21546 B13R1.577 C=CCOc1ccc(c(c1)Cl)CC 7a_100009886192_100015514636 [0,3,0,0,0,0|0,0,0]=3 21547 B13R1.577 C=CCOc1ccc(c(c1)Cl)CN 34a_200161156549_100015514636 [0,3,0,0,0,0|0,0,0]=3 21548 B13R1.577 C=CCOc1ccc(c(c1)Cl)CO 34a_200000075811_100015514636 [0,3,0,0,0,0|0,0,0]=3 21549 B13R1.577 C=CCOc1ccc(c(c1)Cl)CO 7a_200000075811_100015514636 [0,3,0,0,0,0|0,0,0]=3 21550 B13R1.577 C=CCOc1ccc(c(c1)Cl)OC 34a_200009861682_100015514636 [0,3,0,0,0,0|0,0,0]=3 21551 B13R1.577 C=CCOc1ccc(c(c1)Cl)OC 7a_200009861682_100015514636 [0,3,0,0,0,0|0,0,0]=3 21552 B13R1.577 C=CCOc1ccc(c(c1)F)C#N 34a_100000753931_100015514636 [0,3,0,0,0,0|0,0,0]=3 21553 B13R1.577 C=CCOc1ccc(c(c1)F)C#N 7a_100000753931_100015514636 [0,3,0,0,0,0|0,0,0]=3 21554 B13R1.577 C=CCOc1ccc(c(c1)F)CO 34a_100000084598_100015514636 [0,3,0,0,0,0|0,0,0]=3 21555 B13R1.577 C=CCOc1ccc(c(c1)F)CO 7a_100000084598_100015514636 [0,3,0,0,0,0|0,0,0]=3 21556 B13R1.577 C=CCOc1ccc(c(c1)F)OC 34a_100000746305_100015514636 [0,3,0,0,0,0|0,0,0]=3 21557 B13R1.577 C=CCOc1ccc(c(c1)F)OC 7a_100000746305_100015514636 [0,3,0,0,0,0|0,0,0]=3 21558 B13R1.577 C=CCOc1ccc(c(c1)I)OC 34a_100010084122_100015514636 [0,3,0,0,0,0|0,0,0]=3 21559 B13R1.577 C=CCOc1ccc(c(c1)I)OC 7a_100010084122_100015514636 [0,3,0,0,0,0|0,0,0]=3 21560 B13R1.577 C=CCOc1cnc(c(c1)Br)C#N 34a_200015293162_100015514636 [0,3,0,0,0,0|1,0,0]=4 21561 B13R1.577 C=CCOc1cnc(c(c1)Br)C#N 7a_200015293162_100015514636 [0,3,0,0,0,0|1,0,0]=4 21562 B13R1.577 C=CCSc1ccc(c(c1)Br)C#N 62a_100000210623_100012349582 [0,3,0,0,0,0|0,1,0]=4 21563 B13R1.577 C=CCSc1ccc(c(c1)Br)C#N 62a_100012349582_100000210623 [0,3,0,0,0,0|0,1,0]=4 21564 B13R1.577 C=CCSc1ccc(c(c1)Br)C=O 62a_100000210623_100010185650 [0,3,0,0,0,0|0,1,0]=4 21565 B13R1.577 C=CCSc1ccc(c(c1)Br)C=O 62a_100010185650_100000210623 [0,3,0,0,0,0|0,1,0]=4 21566 B13R1.577 C=CCSc1ccc(c(c1)Br)CO 62a_100000210623_100010240206 [0,3,0,0,0,0|0,1,0]=4 21567 B13R1.577 C=CCSc1ccc(c(c1)Br)CO 62a_100010240206_100000210623 [0,3,0,0,0,0|0,1,0]=4 21568 B13R1.577 C=CCSc1ccc(c(c1)Br)OC 62a_100000210623_100011249507 [0,3,0,0,0,0|0,1,0]=4 21569 B13R1.577 C=CCSc1ccc(c(c1)Br)OC 62a_100011249507_100000210623 [0,3,0,0,0,0|0,1,0]=4 21570 B13R1.577 C=CCSc1ccc(c(c1)C)C#N 62a_100000210623_100000687762 [0,3,0,0,0,0|0,1,0]=4 21571 B13R1.577 C=CCSc1ccc(c(c1)C)C=O 62a_100000210623_100000766358 [0,3,0,0,0,0|0,1,0]=4 21572 B13R1.577 C=CCSc1ccc(c(c1)C)C=O 62a_100000766358_100000210623 [0,3,0,0,0,0|0,1,0]=4 21573 B13R1.577 C=CCSc1ccc(c(c1)C)CF 62a_100000210623_200010711859 [0,3,0,0,0,0|0,1,0]=4 21574 B13R1.577 C=CCSc1ccc(c(c1)C)CF 62a_200010711859_100000210623 [0,3,0,0,0,0|0,1,0]=4 21575 B13R1.577 C=CCSc1ccc(c(c1)C)CN 62a_100000210623_100000753881 [0,3,0,0,0,0|0,1,0]=4 21576 B13R1.577 C=CCSc1ccc(c(c1)C)CN 62a_100000753881_100000210623 [0,3,0,0,0,0|0,1,0]=4 21577 B13R1.577 C=CCSc1ccc(c(c1)C)CO 62a_100000210623_100000748258 [0,3,0,0,0,0|0,1,0]=4 21578 B13R1.577 C=CCSc1ccc(c(c1)C)CO 62a_100000748258_100000210623 [0,3,0,0,0,0|0,1,0]=4 21579 B13R1.577 C=CCSc1ccc(c(c1)C)NC 62a_100000210623_100000221803 [0,3,0,0,0,0|0,1,0]=4 21580 B13R1.577 C=CCSc1ccc(c(c1)C)NC 62a_100000221803_100000210623 [0,3,0,0,0,0|0,1,0]=4 21581 B13R1.577 C=CCSc1ccc(c(c1)C)NN 62a_100000210623_100000751375 [0,3,0,0,0,0|0,1,0]=4 21582 B13R1.577 C=CCSc1ccc(c(c1)C)NN 62a_100000751375_100000210623 [0,3,0,0,0,0|0,1,0]=4 21583 B13R1.577 C=CCSc1ccc(c(c1)C)OC 62a_100000210623_100011219705 [0,3,0,0,0,0|0,1,0]=4 21584 B13R1.577 C=CCSc1ccc(c(c1)C)OC 62a_100011219705_100000210623 [0,3,0,0,0,0|0,1,0]=4 21585 B13R1.577 C=CCSc1ccc(c(c1)Cl)C#N 62a_100000210623_100012349662 [0,3,0,0,0,0|0,1,0]=4 21586 B13R1.577 C=CCSc1ccc(c(c1)Cl)C=O 62a_100000210623_100000727542 [0,3,0,0,0,0|0,1,0]=4 21587 B13R1.577 C=CCSc1ccc(c(c1)Cl)C=O 62a_100000727542_100000210623 [0,3,0,0,0,0|0,1,0]=4 21588 B13R1.577 C=CCSc1ccc(c(c1)Cl)OC 62a_100000210623_100012355395 [0,3,0,0,0,0|0,1,0]=4 21589 B13R1.577 C=CCSc1ccc(c(c1)Cl)OC 62a_100012355395_100000210623 [0,3,0,0,0,0|0,1,0]=4 21590 B13R1.577 C=CCSc1ccc(c(c1)Cl)SC 62a_100000210623_206447510565 [0,3,0,0,0,0|0,1,0]=4 21591 B13R1.577 C=CCSc1ccc(c(c1)Cl)SC 62a_206447510565_100000210623 [0,3,0,0,0,0|0,1,0]=4 21592 B13R1.577 C=CCSc1ccc(c(c1)F)C#N 62a_100000210623_100000037869 [0,3,0,0,0,0|0,1,0]=4 21593 B13R1.577 C=CCSc1ccc(c(c1)F)C=C 62a_100000210623_100011935271 [0,3,0,0,0,0|0,1,0]=4 21594 B13R1.577 C=CCSc1ccc(c(c1)F)C=C 62a_100011935271_100000210623 [0,3,0,0,0,0|0,1,0]=4 21595 B13R1.577 C=CCSc1ccc(c(c1)F)C=O 62a_100000210623_100000211676 [0,3,0,0,0,0|0,1,0]=4 21596 B13R1.577 C=CCSc1ccc(c(c1)F)C=O 62a_100000211676_100000210623 [0,3,0,0,0,0|0,1,0]=4 21597 B13R1.577 C=CCSc1ccc(c(c1)F)CC 62a_100000210623_200010071577 [0,3,0,0,0,0|0,1,0]=4 21598 B13R1.577 C=CCSc1ccc(c(c1)F)CC 62a_200010071577_100000210623 [0,3,0,0,0,0|0,1,0]=4 21599 B13R1.577 C=CCSc1ccc(c(c1)F)CN 62a_100000210623_100000754580 [0,3,0,0,0,0|0,1,0]=4 21600 B13R1.577 C=CCSc1ccc(c(c1)F)CN 62a_100000754580_100000210623 [0,3,0,0,0,0|0,1,0]=4 21601 B13R1.577 C=CCSc1ccc(c(c1)F)CO 62a_100000210623_100011191541 [0,3,0,0,0,0|0,1,0]=4 21602 B13R1.577 C=CCSc1ccc(c(c1)F)CO 62a_100011191541_100000210623 [0,3,0,0,0,0|0,1,0]=4 21603 B13R1.577 C=CCSc1ccc(c(c1)F)NC 62a_100000210623_100000743884 [0,3,0,0,0,0|0,1,0]=4 21604 B13R1.577 C=CCSc1ccc(c(c1)F)NC 62a_100000743884_100000210623 [0,3,0,0,0,0|0,1,0]=4 21605 B13R1.577 C=CCSc1ccc(c(c1)F)NN 62a_100000210623_100000751572 [0,3,0,0,0,0|0,1,0]=4 21606 B13R1.577 C=CCSc1ccc(c(c1)F)NN 62a_100000751572_100000210623 [0,3,0,0,0,0|0,1,0]=4 21607 B13R1.577 C=CCSc1ccc(c(c1)F)OC 62a_100000171752_100000210623 [0,3,0,0,0,0|0,1,0]=4 21608 B13R1.577 C=CCSc1ccc(c(c1)F)OC 62a_100000210623_100000171752 [0,3,0,0,0,0|0,1,0]=4 21609 B13R1.577 C=CCSc1ccc(c(c1)F)SC 62a_100000210623_100010161220 [0,3,0,0,0,0|0,1,0]=4 21610 B13R1.577 C=CCSc1ccc(c(c1)F)SC 62a_100010161220_100000210623 [0,3,0,0,0,0|0,1,0]=4 21611 B13R1.577 C=CCSc1ccc(c(c1)N)C#N 62a_100000210623_100000699244 [0,3,0,0,0,0|0,1,0]=4 21612 B13R1.577 C=CCSc1ccc(c(c1)N)C=O 62a_100009814810_100000210623 [0,3,0,0,0,0|0,1,0]=4 21613 B13R1.577 C=CCSc1ccc(c(c1)N)CC 62a_100000210623_100012354963 [0,3,0,0,0,0|0,1,0]=4 21614 B13R1.577 C=CCSc1ccc(c(c1)N)CC 62a_100012354963_100000210623 [0,3,0,0,0,0|0,1,0]=4 21615 B13R1.577 C=CCSc1ccc(c(c1)N)CO 62a_100000210623_100000718831 [0,3,0,0,0,0|0,1,0]=4 21616 B13R1.577 C=CCSc1ccc(c(c1)N)CO 62a_100000718831_100000210623 [0,3,0,0,0,0|0,1,0]=4 21617 B13R1.577 C=CCSc1ccc(c(c1)N)NC 62a_100000741790_100000210623 [0,3,0,0,0,0|0,1,0]=4 21618 B13R1.577 C=CCSc1ccc(c(c1)N)OC 62a_100000210623_100011249504 [0,3,0,0,0,0|0,1,0]=4 21619 B13R1.577 C=CCSc1ccc(c(c1)N)OC 62a_100011249504_100000210623 [0,3,0,0,0,0|0,1,0]=4 21620 B13R1.577 C=CCSc1ccc(c(c1)O)C#N 62a_100000210623_100011934713 [0,3,0,0,0,0|0,1,0]=4 21621 B13R1.577 C=CCSc1ccc(c(c1)O)C=O 62a_100000210623_100011277552 [0,3,0,0,0,0|0,1,0]=4 21622 B13R1.577 C=CCSc1ccc(c(c1)O)C=O 62a_100011277552_100000210623 [0,3,0,0,0,0|0,1,0]=4 21623 B13R1.577 C=CCSc1ccc(c(c1)O)CO 62a_100000071718_100000210623 [0,3,0,0,0,0|0,1,0]=4 21624 B13R1.577 C=CCSc1ccc(c(c1)O)CO 62a_100000210623_100000071718 [0,3,0,0,0,0|0,1,0]=4 21625 B13R1.577 C=CCSc1ccc(c(c1)O)OC 62a_100000210623_100009816560 [0,3,0,0,0,0|0,1,0]=4 21626 B13R1.577 CCc1ccc(cc1Cl)OCC=O 34a_100009886192_200009817547 [0,3,0,0,0,0|1,0,0]=4 21627 B13R1.577 CCc1ccc(cc1Cl)OCC=O 7a_100009886192_200015260668 [0,3,0,0,0,0|1,0,0]=4 21628 B13R1.577 CNc1ccc(cc1C)OCC=O 34a_100161107805_200009817547 [0,3,0,0,0,0|1,0,0]=4 21629 B13R1.577 CNc1ccc(cc1C)OCC=O 7a_100161107805_200015260668 [0,3,0,0,0,0|1,0,0]=4 21630 B13R1.577 COc1ccc(cc1Br)OCC=O 34a_100010234764_200009817547 [0,3,0,0,0,0|1,0,0]=4 21631 B13R1.577 COc1ccc(cc1Br)OCC=O 7a_100010234764_200015260668 [0,3,0,0,0,0|1,0,0]=4 21632 B13R1.577 COc1ccc(cc1C)OCC=O 34a_100000759738_200009817547 [0,3,0,0,0,0|1,0,0]=4 21633 B13R1.577 COc1ccc(cc1C)OCC=O 7a_100000759738_200015260668 [0,3,0,0,0,0|1,0,0]=4 21634 B13R1.577 COc1ccc(cc1Cl)OCC=O 34a_200009861682_200009817547 [0,3,0,0,0,0|1,0,0]=4 21635 B13R1.577 COc1ccc(cc1Cl)OCC=O 7a_200009861682_200015260668 [0,3,0,0,0,0|1,0,0]=4 21636 B13R1.577 COc1ccc(cc1F)OCC=O 34a_100000746305_200009817547 [0,3,0,0,0,0|1,0,0]=4 21637 B13R1.577 COc1ccc(cc1F)OCC=O 7a_100000746305_200015260668 [0,3,0,0,0,0|1,0,0]=4 21638 B13R1.577 COc1ccc(cc1I)OCC=O 34a_100010084122_200009817547 [0,3,0,0,0,0|1,0,0]=4 21639 B13R1.577 COc1ccc(cc1I)OCC=O 7a_100010084122_200015260668 [0,3,0,0,0,0|1,0,0]=4 21640 B13R1.577 CSc1ccc(cc1C)OCC=O 34a_100000030144_200009817547 [0,3,0,0,0,0|1,0,0]=4 21641 B13R1.577 Cc1cc(ccc1C#N)OCC=O 34a_100000720286_200009817547 [0,3,0,0,0,0|1,0,0]=4 21642 B13R1.577 Cc1cc(ccc1C#N)OCC=O 7a_100000720286_200015260668 [0,3,0,0,0,0|1,0,0]=4 21643 B13R1.577 N#Cc1ccc(cc1Br)OCC=O 34a_100012184851_200009817547 [0,3,0,0,0,0|1,0,0]=4 21644 B13R1.577 N#Cc1ccc(cc1Br)OCC=O 7a_100012184851_200015260668 [0,3,0,0,0,0|1,0,0]=4 21645 B13R1.577 N#Cc1ccc(cc1Cl)OCC=O 34a_100000716493_200009817547 [0,3,0,0,0,0|1,0,0]=4 21646 B13R1.577 N#Cc1ccc(cc1Cl)OCC=O 7a_100000716493_200015260668 [0,3,0,0,0,0|1,0,0]=4 21647 B13R1.577 N#Cc1ccc(cc1F)OCC=O 34a_100000753931_200009817547 [0,3,0,0,0,0|1,0,0]=4 21648 B13R1.577 N#Cc1ccc(cc1F)OCC=O 7a_100000753931_200015260668 [0,3,0,0,0,0|1,0,0]=4 21649 B13R1.577 NCc1ccc(cc1Cl)OCC=O 34a_200161156549_200009817547 [0,3,0,0,0,0|1,0,0]=4 21650 B13R1.577 O=CCOc1ccc(c(c1)Br)CO 34a_100010146404_200009817547 [0,3,0,0,0,0|1,0,0]=4 21651 B13R1.577 O=CCOc1ccc(c(c1)Br)CO 7a_100010146404_200015260668 [0,3,0,0,0,0|1,0,0]=4 21652 B13R1.577 O=CCOc1ccc(c(c1)Cl)CO 34a_200000075811_200009817547 [0,3,0,0,0,0|1,0,0]=4 21653 B13R1.577 O=CCOc1ccc(c(c1)Cl)CO 7a_200000075811_200015260668 [0,3,0,0,0,0|1,0,0]=4 21654 B13R1.577 O=CCOc1ccc(c(c1)F)CO 34a_100000084598_200009817547 [0,3,0,0,0,0|1,0,0]=4 21655 B13R1.577 O=CCOc1ccc(c(c1)F)CO 7a_100000084598_200015260668 [0,3,0,0,0,0|1,0,0]=4 21656 B13R1.136 C=CCNc1cc(c(c(c1)Br)C)Br 2230a_100009813276_100000210623 [0,3,0,0,0,0|1,0,0]=4 21657 B13R1.136 C=CCNc1cc(c(c(c1)Br)C)Br 34a_100009813276_100015514636 [0,3,0,0,0,0|1,0,0]=4 21658 B13R1.136 C=CCNc1cc(c(c(c1)Br)C)Br 7a_100009813276_100015514636 [0,3,0,0,0,0|1,0,0]=4 21659 B13R1.136 C=CCNc1cc(c(c(c1)Br)C)C 2230a_100010368239_100000210623 [0,3,0,0,0,0|1,0,0]=4 21660 B13R1.136 C=CCNc1cc(c(c(c1)Br)C)C 34a_100010368239_100015514636 [0,3,0,0,0,0|1,0,0]=4 21661 B13R1.136 C=CCNc1cc(c(c(c1)Br)C)C 7a_100010368239_100015514636 [0,3,0,0,0,0|1,0,0]=4 21662 B13R1.136 C=CCNc1cc(c(c(c1)Br)C)F 2230a_100010254531_100000210623 [0,3,0,0,0,0|1,0,0]=4 21663 B13R1.136 C=CCNc1cc(c(c(c1)Br)C)F 34a_100010254531_100015514636 [0,3,0,0,0,0|1,0,0]=4 21664 B13R1.136 C=CCNc1cc(c(c(c1)Br)C)F 7a_100010254531_100015514636 [0,3,0,0,0,0|1,0,0]=4 21665 B13R1.136 C=CCNc1cc(c(c(c1)Br)Cl)Cl 2230a_100010735061_100000210623 [0,3,0,0,0,0|1,0,0]=4 21666 B13R1.136 C=CCNc1cc(c(c(c1)Br)Cl)Cl 34a_100010735061_100015514636 [0,3,0,0,0,0|1,0,0]=4 21667 B13R1.136 C=CCNc1cc(c(c(c1)Br)Cl)Cl 7a_100010735061_100015514636 [0,3,0,0,0,0|1,0,0]=4 21668 B13R1.136 C=CCNc1cc(c(c(c1)Br)F)Br 2230a_100010209666_100000210623 [0,3,0,0,0,0|1,0,0]=4 21669 B13R1.136 C=CCNc1cc(c(c(c1)Br)F)Br 34a_100010209666_100015514636 [0,3,0,0,0,0|1,0,0]=4 21670 B13R1.136 C=CCNc1cc(c(c(c1)Br)F)Br 7a_100010209666_100015514636 [0,3,0,0,0,0|1,0,0]=4 21671 B13R1.136 C=CCNc1cc(c(c(c1)Br)F)F 2230a_100009816004_100000210623 [0,3,0,0,0,0|1,0,0]=4 21672 B13R1.136 C=CCNc1cc(c(c(c1)Br)F)F 34a_100009816004_100015514636 [0,3,0,0,0,0|1,0,0]=4 21673 B13R1.136 C=CCNc1cc(c(c(c1)Br)F)F 7a_100009816004_100015514636 [0,3,0,0,0,0|1,0,0]=4 21674 B13R1.136 C=CCNc1cc(c(c(c1)Br)O)Br 34a_200000186426_100015514636 [0,3,0,0,0,0|1,0,0]=4 21675 B13R1.136 C=CCNc1cc(c(c(c1)Br)O)C 34a_100010064301_100015514636 [0,3,0,0,0,0|1,0,0]=4 21676 B13R1.136 C=CCNc1cc(c(c(c1)Br)O)C 7a_100010064301_100015514636 [0,3,0,0,0,0|1,0,0]=4 21677 B13R1.136 C=CCNc1cc(c(c(c1)C)Br)C 2230a_100000684802_100000210623 [0,3,0,0,0,0|1,0,0]=4 21678 B13R1.136 C=CCNc1cc(c(c(c1)C)Br)C 34a_100000684802_100015514636 [0,3,0,0,0,0|1,0,0]=4 21679 B13R1.136 C=CCNc1cc(c(c(c1)C)Br)C 7a_100000684802_100015514636 [0,3,0,0,0,0|1,0,0]=4 21680 B13R1.136 C=CCNc1cc(c(c(c1)C)C)C 2230a_100000074974_100000210623 [0,3,0,0,0,0|1,0,0]=4 21681 B13R1.136 C=CCNc1cc(c(c(c1)C)C)C 34a_100000074974_100015514636 [0,3,0,0,0,0|1,0,0]=4 21682 B13R1.136 C=CCNc1cc(c(c(c1)C)C)C 7a_100000074974_100015514636 [0,3,0,0,0,0|1,0,0]=4 21683 B13R1.136 C=CCNc1cc(c(c(c1)C)F)C 2230a_100000061604_100000210623 [0,3,0,0,0,0|1,0,0]=4 21684 B13R1.136 C=CCNc1cc(c(c(c1)C)F)C 34a_100000061604_100015514636 [0,3,0,0,0,0|1,0,0]=4 21685 B13R1.136 C=CCNc1cc(c(c(c1)C)F)C 7a_100000061604_100015514636 [0,3,0,0,0,0|1,0,0]=4 21686 B13R1.136 C=CCNc1cc(c(c(c1)C)I)C 34a_100000215964_100015514636 [0,3,0,0,0,0|1,0,0]=4 21687 B13R1.136 C=CCNc1cc(c(c(c1)C)I)C 7a_100000215964_100015514636 [0,3,0,0,0,0|1,0,0]=4 21688 B13R1.136 C=CCNc1cc(c(c(c1)C)O)C 34a_100000703291_100015514636 [0,3,0,0,0,0|1,0,0]=4 21689 B13R1.136 C=CCNc1cc(c(c(c1)C)O)C 7a_100000703291_100015514636 [0,3,0,0,0,0|1,0,0]=4 21690 B13R1.136 C=CCNc1cc(c(c(c1)Cl)Br)Cl 2230a_100010212259_100000210623 [0,3,0,0,0,0|1,0,0]=4 21691 B13R1.136 C=CCNc1cc(c(c(c1)Cl)Br)Cl 34a_100010212259_100015514636 [0,3,0,0,0,0|1,0,0]=4 21692 B13R1.136 C=CCNc1cc(c(c(c1)Cl)Br)Cl 7a_100010212259_100015514636 [0,3,0,0,0,0|1,0,0]=4 21693 B13R1.136 C=CCNc1cc(c(c(c1)Cl)Br)F 2230a_100000728458_100000210623 [0,3,0,0,0,0|1,0,0]=4 21694 B13R1.136 C=CCNc1cc(c(c(c1)Cl)Br)F 34a_100000728458_100015514636 [0,3,0,0,0,0|1,0,0]=4 21695 B13R1.136 C=CCNc1cc(c(c(c1)Cl)Br)F 7a_100000728458_100015514636 [0,3,0,0,0,0|1,0,0]=4 21696 B13R1.136 C=CCNc1cc(c(c(c1)Cl)C)Cl 2230a_100000745310_100000210623 [0,3,0,0,0,0|1,0,0]=4 21697 B13R1.136 C=CCNc1cc(c(c(c1)Cl)C)Cl 34a_100000745310_100015514636 [0,3,0,0,0,0|1,0,0]=4 21698 B13R1.136 C=CCNc1cc(c(c(c1)Cl)C)Cl 7a_100000745310_100015514636 [0,3,0,0,0,0|1,0,0]=4 21699 B13R1.136 C=CCNc1cc(c(c(c1)Cl)Cl)C 2230a_100009830880_100000210623 [0,3,0,0,0,0|1,0,0]=4 21700 B13R1.136 C=CCNc1cc(c(c(c1)Cl)Cl)C 34a_100009830880_100015514636 [0,3,0,0,0,0|1,0,0]=4 21701 B13R1.136 C=CCNc1cc(c(c(c1)Cl)Cl)C 7a_100009830880_100015514636 [0,3,0,0,0,0|1,0,0]=4 21702 B13R1.136 C=CCNc1cc(c(c(c1)Cl)Cl)Cl 34a_100000037808_100015514636 [0,3,0,0,0,0|1,0,0]=4 21703 B13R1.136 C=CCNc1cc(c(c(c1)Cl)Cl)Cl 7a_100000037808_100015514636 [0,3,0,0,0,0|1,0,0]=4 21704 B13R1.136 C=CCNc1cc(c(c(c1)Cl)Cl)F 2230a_100012961779_100000210623 [0,3,0,0,0,0|1,0,0]=4 21705 B13R1.136 C=CCNc1cc(c(c(c1)Cl)Cl)F 34a_100012961779_100015514636 [0,3,0,0,0,0|1,0,0]=4 21706 B13R1.136 C=CCNc1cc(c(c(c1)Cl)Cl)F 7a_100012961779_100015514636 [0,3,0,0,0,0|1,0,0]=4 21707 B13R1.136 C=CCNc1cc(c(c(c1)Cl)Cl)O 34a_100015839415_100015514636 [0,3,0,0,0,0|1,0,0]=4 21708 B13R1.136 C=CCNc1cc(c(c(c1)Cl)Cl)O 7a_100015839415_100015514636 [0,3,0,0,0,0|1,0,0]=4 21709 B13R1.136 C=CCNc1cc(c(c(c1)Cl)F)Cl 2230a_100000700460_100000210623 [0,3,0,0,0,0|1,0,0]=4 21710 B13R1.136 C=CCNc1cc(c(c(c1)Cl)F)Cl 34a_100000700460_100015514636 [0,3,0,0,0,0|1,0,0]=4 21711 B13R1.136 C=CCNc1cc(c(c(c1)Cl)F)Cl 7a_100000700460_100015514636 [0,3,0,0,0,0|1,0,0]=4 21712 B13R1.136 C=CCNc1cc(c(c(c1)Cl)F)F 2230a_200009857453_100000210623 [0,3,0,0,0,0|1,0,0]=4 21713 B13R1.136 C=CCNc1cc(c(c(c1)Cl)F)F 34a_200009857453_100015514636 [0,3,0,0,0,0|1,0,0]=4 21714 B13R1.136 C=CCNc1cc(c(c(c1)Cl)F)F 7a_200009857453_100015514636 [0,3,0,0,0,0|1,0,0]=4 21715 B13R1.136 C=CCNc1cc(c(c(c1)Cl)I)F 34a_100014833993_100015514636 [0,3,0,0,0,0|1,0,0]=4 21716 B13R1.136 C=CCNc1cc(c(c(c1)Cl)I)F 7a_100014833993_100015514636 [0,3,0,0,0,0|1,0,0]=4 21717 B13R1.136 C=CCNc1cc(c(c(c1)Cl)O)Cl 34a_100000695418_100015514636 [0,3,0,0,0,0|1,0,0]=4 21718 B13R1.136 C=CCNc1cc(c(c(c1)Cl)O)Cl 7a_100000695418_100015514636 [0,3,0,0,0,0|1,0,0]=4 21719 B13R1.136 C=CCNc1cc(c(c(c1)F)Br)C 2230a_100010115923_100000210623 [0,3,0,0,0,0|1,0,0]=4 21720 B13R1.136 C=CCNc1cc(c(c(c1)F)Br)C 34a_100010115923_100015514636 [0,3,0,0,0,0|1,0,0]=4 21721 B13R1.136 C=CCNc1cc(c(c(c1)F)Br)C 7a_100010115923_100015514636 [0,3,0,0,0,0|1,0,0]=4 21722 B13R1.136 C=CCNc1cc(c(c(c1)F)Br)F 2230a_100000687227_100000210623 [0,3,0,0,0,0|1,0,0]=4 21723 B13R1.136 C=CCNc1cc(c(c(c1)F)Br)F 34a_100000687227_100015514636 [0,3,0,0,0,0|1,0,0]=4 21724 B13R1.136 C=CCNc1cc(c(c(c1)F)Br)F 7a_100000687227_100015514636 [0,3,0,0,0,0|1,0,0]=4 21725 B13R1.136 C=CCNc1cc(c(c(c1)F)C)F 2230a_100011216606_100000210623 [0,3,0,0,0,0|1,0,0]=4 21726 B13R1.136 C=CCNc1cc(c(c(c1)F)C)F 34a_100011216606_100015514636 [0,3,0,0,0,0|1,0,0]=4 21727 B13R1.136 C=CCNc1cc(c(c(c1)F)C)F 7a_100011216606_100015514636 [0,3,0,0,0,0|1,0,0]=4 21728 B13R1.136 C=CCNc1cc(c(c(c1)F)Cl)F 2230a_100000094121_100000210623 [0,3,0,0,0,0|1,0,0]=4 21729 B13R1.136 C=CCNc1cc(c(c(c1)F)Cl)F 34a_100000094121_100015514636 [0,3,0,0,0,0|1,0,0]=4 21730 B13R1.136 C=CCNc1cc(c(c(c1)F)Cl)F 7a_100000094121_100015514636 [0,3,0,0,0,0|1,0,0]=4 21731 B13R1.136 C=CCNc1cc(c(c(c1)F)F)C 2230a_100010704045_100000210623 [0,3,0,0,0,0|1,0,0]=4 21732 B13R1.136 C=CCNc1cc(c(c(c1)F)F)C 34a_100010704045_100015514636 [0,3,0,0,0,0|1,0,0]=4 21733 B13R1.136 C=CCNc1cc(c(c(c1)F)F)C 7a_100010704045_100015514636 [0,3,0,0,0,0|1,0,0]=4 21734 B13R1.136 C=CCNc1cc(c(c(c1)F)F)F 2230a_100000750163_100000210623 [0,3,0,0,0,0|1,0,0]=4 21735 B13R1.136 C=CCNc1cc(c(c(c1)F)F)F 34a_100000750163_100015514636 [0,3,0,0,0,0|1,0,0]=4 21736 B13R1.136 C=CCNc1cc(c(c(c1)F)F)F 7a_100000750163_100015514636 [0,3,0,0,0,0|1,0,0]=4 21737 B13R1.136 C=CCNc1cc(c(c(c1)F)I)F 34a_100000057532_100015514636 [0,3,0,0,0,0|1,0,0]=4 21738 B13R1.136 C=CCNc1cc(c(c(c1)F)I)F 7a_100000057532_100015514636 [0,3,0,0,0,0|1,0,0]=4 21739 B13R1.136 C=CCNc1cc(c(c(c1)F)O)F 34a_100016987357_100015514636 [0,3,0,0,0,0|1,0,0]=4 21740 B13R1.136 C=CCNc1cc(c(c(c1)F)O)F 7a_100016987357_100015514636 [0,3,0,0,0,0|1,0,0]=4 21741 B13R1.136 C=CCOc1cc(c(c(c1)Br)C)Br 34a_100009813510_100015514636 [0,3,0,0,0,0|0,0,0]=3 21742 B13R1.136 C=CCOc1cc(c(c(c1)Br)C)Br 7a_100009813510_100015514636 [0,3,0,0,0,0|0,0,0]=3 21743 B13R1.136 C=CCOc1cc(c(c(c1)Br)C)C 34a_100010068915_100015514636 [0,3,0,0,0,0|0,0,0]=3 21744 B13R1.136 C=CCOc1cc(c(c(c1)Br)C)C 7a_100010068915_100015514636 [0,3,0,0,0,0|0,0,0]=3 21745 B13R1.136 C=CCOc1cc(c(c(c1)Br)Cl)Cl 34a_100016179818_100015514636 [0,3,0,0,0,0|0,0,0]=3 21746 B13R1.136 C=CCOc1cc(c(c(c1)Br)Cl)Cl 7a_100016179818_100015514636 [0,3,0,0,0,0|0,0,0]=3 21747 B13R1.136 C=CCOc1cc(c(c(c1)Br)F)Cl 34a_200011105948_100015514636 [0,3,0,0,0,0|0,0,0]=3 21748 B13R1.136 C=CCOc1cc(c(c(c1)Br)F)Cl 7a_200011105948_100015514636 [0,3,0,0,0,0|0,0,0]=3 21749 B13R1.136 C=CCOc1cc(c(c(c1)Br)N)Br 34a_200010887395_100015514636 [0,3,0,0,0,0|0,0,0]=3 21750 B13R1.136 C=CCOc1cc(c(c(c1)Br)N)Br 7a_200010887395_100015514636 [0,3,0,0,0,0|0,0,0]=3 21751 B13R1.136 C=CCOc1cc(c(c(c1)C)Br)C 34a_100000243743_100015514636 [0,3,0,0,0,0|0,0,0]=3 21752 B13R1.136 C=CCOc1cc(c(c(c1)C)Br)C 7a_100000243743_100015514636 [0,3,0,0,0,0|0,0,0]=3 21753 B13R1.136 C=CCOc1cc(c(c(c1)C)C)C 34a_200000042890_100015514636 [0,3,0,0,0,0|0,0,0]=3 21754 B13R1.136 C=CCOc1cc(c(c(c1)C)C)C 7a_200000042890_100015514636 [0,3,0,0,0,0|0,0,0]=3 21755 B13R1.136 C=CCOc1cc(c(c(c1)C)Cl)C 34a_100000739557_100015514636 [0,3,0,0,0,0|0,0,0]=3 21756 B13R1.136 C=CCOc1cc(c(c(c1)C)Cl)C 7a_100000739557_100015514636 [0,3,0,0,0,0|0,0,0]=3 21757 B13R1.136 C=CCOc1cc(c(c(c1)C)I)C 34a_100011216239_100015514636 [0,3,0,0,0,0|0,0,0]=3 21758 B13R1.136 C=CCOc1cc(c(c(c1)C)I)C 7a_100011216239_100015514636 [0,3,0,0,0,0|0,0,0]=3 21759 B13R1.136 C=CCOc1cc(c(c(c1)C)N)C 34a_100011934200_100015514636 [0,3,0,0,0,0|0,0,0]=3 21760 B13R1.136 C=CCOc1cc(c(c(c1)C)N)C 7a_100011934200_100015514636 [0,3,0,0,0,0|0,0,0]=3 21761 B13R1.136 C=CCOc1cc(c(c(c1)Cl)Br)Cl 34a_100009888979_100015514636 [0,3,0,0,0,0|0,0,0]=3 21762 B13R1.136 C=CCOc1cc(c(c(c1)Cl)Br)Cl 7a_100009888979_100015514636 [0,3,0,0,0,0|0,0,0]=3 21763 B13R1.136 C=CCOc1cc(c(c(c1)Cl)Cl)Cl 34a_100000074982_100015514636 [0,3,0,0,0,0|0,0,0]=3 21764 B13R1.136 C=CCOc1cc(c(c(c1)Cl)Cl)Cl 7a_100000074982_100015514636 [0,3,0,0,0,0|0,0,0]=3 21765 B13R1.136 C=CCOc1cc(c(c(c1)Cl)F)Cl 34a_100012242831_100015514636 [0,3,0,0,0,0|0,0,0]=3 21766 B13R1.136 C=CCOc1cc(c(c(c1)Cl)F)Cl 7a_100012242831_100015514636 [0,3,0,0,0,0|0,0,0]=3 21767 B13R1.136 C=CCOc1cc(c(c(c1)F)Br)F 34a_100009816007_100015514636 [0,3,0,0,0,0|0,0,0]=3 21768 B13R1.136 C=CCOc1cc(c(c(c1)F)Br)F 7a_100009816007_100015514636 [0,3,0,0,0,0|0,0,0]=3 21769 B13R1.136 C=CCOc1cc(c(c(c1)F)Cl)F 34a_100000117300_100015514636 [0,3,0,0,0,0|0,0,0]=3 21770 B13R1.136 C=CCOc1cc(c(c(c1)F)Cl)F 7a_100000117300_100015514636 [0,3,0,0,0,0|0,0,0]=3 21771 B13R1.136 C=CCOc1cc(c(c(c1)F)F)F 34a_100000237451_100015514636 [0,3,0,0,0,0|0,0,0]=3 21772 B13R1.136 C=CCOc1cc(c(c(c1)F)F)F 7a_100000237451_100015514636 [0,3,0,0,0,0|0,0,0]=3 21773 B13R1.136 C=CCOc1cc(c(c(c1)F)I)F 34a_100010219129_100015514636 [0,3,0,0,0,0|0,0,0]=3 21774 B13R1.136 C=CCOc1cc(c(c(c1)F)I)F 7a_100010219129_100015514636 [0,3,0,0,0,0|0,0,0]=3 21775 B13R1.136 C=CCOc1cc(c(c(c1)F)N)F 34a_100000036573_100015514636 [0,3,0,0,0,0|0,0,0]=3 21776 B13R1.136 C=CCOc1cc(c(c(c1)F)N)F 7a_100000036573_100015514636 [0,3,0,0,0,0|0,0,0]=3 21777 B13R1.136 C=CCOc1cc(n(c(=O)c1)C)C 34a_100000075388_100015514636 [0,3,0,0,0,0|1,0,0]=4 21778 B13R1.136 C=CCSc1cc(c(c(c1)Br)C)Br 62a_100000210623_100011099977 [0,3,0,0,0,0|0,1,0]=4 21779 B13R1.136 C=CCSc1cc(c(c(c1)Br)C)Br 62a_100011099977_100000210623 [0,3,0,0,0,0|0,1,0]=4 21780 B13R1.136 C=CCSc1cc(c(c(c1)Br)O)C 62a_100000210623_100010982682 [0,3,0,0,0,0|0,1,0]=4 21781 B13R1.136 C=CCSc1cc(c(c(c1)Br)O)C 62a_100010982682_100000210623 [0,3,0,0,0,0|0,1,0]=4 21782 B13R1.136 C=CCSc1cc(c(c(c1)C)Br)C 62a_100000210623_100012353698 [0,3,0,0,0,0|0,1,0]=4 21783 B13R1.136 C=CCSc1cc(c(c(c1)C)Br)C 62a_100012353698_100000210623 [0,3,0,0,0,0|0,1,0]=4 21784 B13R1.136 C=CCSc1cc(c(c(c1)C)C)C 62a_100000210623_200011015895 [0,3,0,0,0,0|0,1,0]=4 21785 B13R1.136 C=CCSc1cc(c(c(c1)C)C)C 62a_200011015895_100000210623 [0,3,0,0,0,0|0,1,0]=4 21786 B13R1.136 C=CCSc1cc(c(c(c1)C)F)C 62a_100000210623_100009814169 [0,3,0,0,0,0|0,1,0]=4 21787 B13R1.136 C=CCSc1cc(c(c(c1)C)F)C 62a_100009814169_100000210623 [0,3,0,0,0,0|0,1,0]=4 21788 B13R1.136 C=CCSc1cc(c(c(c1)C)N)C 62a_100000210623_100000737279 [0,3,0,0,0,0|0,1,0]=4 21789 B13R1.136 C=CCSc1cc(c(c(c1)C)N)C 62a_100000737279_100000210623 [0,3,0,0,0,0|0,1,0]=4 21790 B13R1.136 C=CCSc1cc(c(c(c1)C)O)C 62a_100000210623_100011216129 [0,3,0,0,0,0|0,1,0]=4 21791 B13R1.136 C=CCSc1cc(c(c(c1)C)O)C 62a_100011216129_100000210623 [0,3,0,0,0,0|0,1,0]=4 21792 B13R1.136 C=CCSc1cc(c(c(c1)Cl)Br)Cl 62a_100000210623_200010212260 [0,3,0,0,0,0|0,1,0]=4 21793 B13R1.136 C=CCSc1cc(c(c(c1)Cl)Br)Cl 62a_200010212260_100000210623 [0,3,0,0,0,0|0,1,0]=4 21794 B13R1.136 C=CCSc1cc(c(c(c1)Cl)F)Cl 62a_100000210623_100012357505 [0,3,0,0,0,0|0,1,0]=4 21795 B13R1.136 C=CCSc1cc(c(c(c1)Cl)F)Cl 62a_100012357505_100000210623 [0,3,0,0,0,0|0,1,0]=4 21796 B13R1.136 C=CCSc1cc(c(c(c1)Cl)O)C 62a_100000210623_200015900153 [0,3,0,0,0,0|0,1,0]=4 21797 B13R1.136 C=CCSc1cc(c(c(c1)Cl)O)C 62a_200015900153_100000210623 [0,3,0,0,0,0|0,1,0]=4 21798 B13R1.136 C=CCSc1cc(c(c(c1)Cl)O)Cl 62a_100000210623_100012339652 [0,3,0,0,0,0|0,1,0]=4 21799 B13R1.136 C=CCSc1cc(c(c(c1)Cl)O)Cl 62a_100012339652_100000210623 [0,3,0,0,0,0|0,1,0]=4 21800 B13R1.136 C=CCSc1cc(c(c(c1)F)Br)F 62a_100000210623_100010176052 [0,3,0,0,0,0|0,1,0]=4 21801 B13R1.136 C=CCSc1cc(c(c(c1)F)Br)F 62a_100010176052_100000210623 [0,3,0,0,0,0|0,1,0]=4 21802 B13R1.136 C=CCSc1cc(c(c(c1)F)C)F 62a_100000210623_100009814309 [0,3,0,0,0,0|0,1,0]=4 21803 B13R1.136 C=CCSc1cc(c(c(c1)F)C)F 62a_100009814309_100000210623 [0,3,0,0,0,0|0,1,0]=4 21804 B13R1.136 C=CCSc1cc(c(c(c1)F)C)N 62a_100000210623_100009813729 [0,3,0,0,0,0|0,1,0]=4 21805 B13R1.136 C=CCSc1cc(c(c(c1)F)C)N 62a_100009813729_100000210623 [0,3,0,0,0,0|0,1,0]=4 21806 B13R1.136 C=CCSc1cc(c(c(c1)F)Cl)F 62a_100000210623_100010154629 [0,3,0,0,0,0|0,1,0]=4 21807 B13R1.136 C=CCSc1cc(c(c(c1)F)Cl)F 62a_100010154629_100000210623 [0,3,0,0,0,0|0,1,0]=4 21808 B13R1.136 C=CCSc1cc(c(c(c1)F)F)C 62a_100000210623_200011068660 [0,3,0,0,0,0|0,1,0]=4 21809 B13R1.136 C=CCSc1cc(c(c(c1)F)F)C 62a_200011068660_100000210623 [0,3,0,0,0,0|0,1,0]=4 21810 B13R1.136 C=CCSc1cc(c(c(c1)F)F)F 62a_100000210623_100011215606 [0,3,0,0,0,0|0,1,0]=4 21811 B13R1.136 C=CCSc1cc(c(c(c1)F)F)F 62a_100011215606_100000210623 [0,3,0,0,0,0|0,1,0]=4 21812 B13R1.136 C=CCSc1cc(c(c(c1)F)F)O 62a_100000210623_100000709865 [0,3,0,0,0,0|0,1,0]=4 21813 B13R1.136 C=CCSc1cc(c(c(c1)F)F)O 62a_100000709865_100000210623 [0,3,0,0,0,0|0,1,0]=4 21814 B13R1.136 C=CCSc1cc(c(c(c1)F)N)C 62a_100000210623_100000709789 [0,3,0,0,0,0|0,1,0]=4 21815 B13R1.136 C=CCSc1cc(c(c(c1)F)N)C 62a_100000709789_100000210623 [0,3,0,0,0,0|0,1,0]=4 21816 B13R1.136 C=CCSc1cc(c(c(c1)F)N)F 62a_100000210623_100000758902 [0,3,0,0,0,0|0,1,0]=4 21817 B13R1.136 C=CCSc1cc(c(c(c1)F)N)F 62a_100000758902_100000210623 [0,3,0,0,0,0|0,1,0]=4 21818 B13R1.136 C=CCSc1cc(c(c(c1)F)N)N 62a_100000210623_100011218333 [0,3,0,0,0,0|0,1,0]=4 21819 B13R1.136 C=CCSc1cc(c(c(c1)F)N)N 62a_100011218333_100000210623 [0,3,0,0,0,0|0,1,0]=4 21820 B13R1.136 C=CCSc1cc(c(c(c1)F)N)O 62a_100000210623_100015475841 [0,3,0,0,0,0|0,1,0]=4 21821 B13R1.136 C=CCSc1cc(c(c(c1)F)N)O 62a_100015475841_100000210623 [0,3,0,0,0,0|0,1,0]=4 21822 B13R1.136 C=CCSc1cc(c(c(c1)F)O)F 62a_100000210623_100011216917 [0,3,0,0,0,0|0,1,0]=4 21823 B13R1.136 C=CCSc1cc(c(c(c1)F)O)F 62a_100011216917_100000210623 [0,3,0,0,0,0|0,1,0]=4 21824 B13R1.136 C=CCSc1cc(c(c(c1)F)O)N 62a_100000210623_100011217383 [0,3,0,0,0,0|0,1,0]=4 21825 B13R1.136 C=CCSc1cc(c(c(c1)F)O)N 62a_100011217383_100000210623 [0,3,0,0,0,0|0,1,0]=4 21826 B13R1.136 C=CCSc1cc(c(c(c1)F)O)O 62a_100000210623_100010114375 [0,3,0,0,0,0|0,1,0]=4 21827 B13R1.136 C=CCSc1cc(c(c(c1)N)F)C 62a_100000210623_100010381932 [0,3,0,0,0,0|0,1,0]=4 21828 B13R1.136 C=CCSc1cc(c(c(c1)N)F)C 62a_100010381932_100000210623 [0,3,0,0,0,0|0,1,0]=4 21829 B13R1.136 C=CCSc1cc(c(c(c1)N)N)C 62a_100000210623_100000688557 [0,3,0,0,0,0|0,1,0]=4 21830 B13R1.136 C=CCSc1cc(c(c(c1)N)N)C 62a_100000688557_100000210623 [0,3,0,0,0,0|0,1,0]=4 21831 B13R1.136 C=CCSc1cc(c(c(c1)N)O)C 62a_100000210623_100011825904 [0,3,0,0,0,0|0,1,0]=4 21832 B13R1.136 C=CCSc1cc(c(c(c1)N)O)C 62a_100011825904_100000210623 [0,3,0,0,0,0|0,1,0]=4 21833 B13R1.136 C=CCSc1cc(c(c(c1)O)N)C 62a_100000210623_100010371313 [0,3,0,0,0,0|0,1,0]=4 21834 B13R1.136 C=CCSc1cc(c(c(c1)O)N)C 62a_100010371313_100000210623 [0,3,0,0,0,0|0,1,0]=4 21835 B13R1.136 C=CCSc1cc(c(c(c1)O)O)O 62a_100000210623_100010658518 [0,3,0,0,0,0|0,1,0]=4 21836 B13R1.136 Cc1c(cc(cc1Br)OCC=O)Br 34a_100009813510_200009817547 [0,3,0,0,0,0|1,0,0]=4 21837 B13R1.136 Cc1c(cc(cc1Br)OCC=O)Br 7a_100009813510_200015260668 [0,3,0,0,0,0|1,0,0]=4 21838 B13R1.136 Cc1cc(cc(c1Br)C)OCC=O 34a_100000243743_200009817547 [0,3,0,0,0,0|1,0,0]=4 21839 B13R1.136 Cc1cc(cc(c1Br)C)OCC=O 7a_100000243743_200015260668 [0,3,0,0,0,0|1,0,0]=4 21840 B13R1.136 Cc1cc(cc(c1C)Br)OCC=O 34a_100010068915_200009817547 [0,3,0,0,0,0|1,0,0]=4 21841 B13R1.136 Cc1cc(cc(c1C)Br)OCC=O 7a_100010068915_200015260668 [0,3,0,0,0,0|1,0,0]=4 21842 B13R1.136 Cc1cc(cc(c1C)C)OCC=O 34a_200000042890_200009817547 [0,3,0,0,0,0|1,0,0]=4 21843 B13R1.136 Cc1cc(cc(c1C)C)OCC=O 7a_200000042890_200015260668 [0,3,0,0,0,0|1,0,0]=4 21844 B13R1.136 Cc1cc(cc(c1Cl)C)OCC=O 34a_100000739557_200009817547 [0,3,0,0,0,0|1,0,0]=4 21845 B13R1.136 Cc1cc(cc(c1Cl)C)OCC=O 7a_100000739557_200015260668 [0,3,0,0,0,0|1,0,0]=4 21846 B13R1.136 Cc1cc(cc(c1I)C)OCC=O 34a_100011216239_200009817547 [0,3,0,0,0,0|1,0,0]=4 21847 B13R1.136 Cc1cc(cc(c1I)C)OCC=O 7a_100011216239_200015260668 [0,3,0,0,0,0|1,0,0]=4 21848 B13R1.136 Cc1cc(cc(c1N)C)OCC=O 34a_100011934200_200009817547 [0,3,0,0,0,0|1,0,0]=4 21849 B13R1.136 Cc1cc(cc(c1N)C)OCC=O 7a_100011934200_200015260668 [0,3,0,0,0,0|1,0,0]=4 21850 B13R1.136 Nc1c(cc(cc1Br)OCC=O)Br 34a_200010887395_200009817547 [0,3,0,0,0,0|1,0,0]=4 21851 B13R1.136 Nc1c(cc(cc1Br)OCC=O)Br 7a_200010887395_200015260668 [0,3,0,0,0,0|1,0,0]=4 21852 B13R1.136 Nc1c(cc(cc1F)OCC=O)F 34a_100000036573_200009817547 [0,3,0,0,0,0|1,0,0]=4 21853 B13R1.136 Nc1c(cc(cc1F)OCC=O)F 7a_100000036573_200015260668 [0,3,0,0,0,0|1,0,0]=4 21854 B13R1.136 O=CCOc1cc(c(c(c1)Br)Cl)Cl 34a_100016179818_200009817547 [0,3,0,0,0,0|1,0,0]=4 21855 B13R1.136 O=CCOc1cc(c(c(c1)Br)Cl)Cl 7a_100016179818_200015260668 [0,3,0,0,0,0|1,0,0]=4 21856 B13R1.136 O=CCOc1cc(c(c(c1)Br)F)Cl 34a_200011105948_200009817547 [0,3,0,0,0,0|1,0,0]=4 21857 B13R1.136 O=CCOc1cc(c(c(c1)Br)F)Cl 7a_200011105948_200015260668 [0,3,0,0,0,0|1,0,0]=4 21858 B13R1.136 O=CCOc1cc(c(c(c1)Cl)Br)Cl 34a_100009888979_200009817547 [0,3,0,0,0,0|1,0,0]=4 21859 B13R1.136 O=CCOc1cc(c(c(c1)Cl)Br)Cl 7a_100009888979_200015260668 [0,3,0,0,0,0|1,0,0]=4 21860 B13R1.136 O=CCOc1cc(c(c(c1)Cl)Cl)Cl 34a_100000074982_200009817547 [0,3,0,0,0,0|1,0,0]=4 21861 B13R1.136 O=CCOc1cc(c(c(c1)Cl)Cl)Cl 7a_100000074982_200015260668 [0,3,0,0,0,0|1,0,0]=4 21862 B13R1.136 O=CCOc1cc(c(c(c1)Cl)F)Cl 34a_100012242831_200009817547 [0,3,0,0,0,0|1,0,0]=4 21863 B13R1.136 O=CCOc1cc(c(c(c1)Cl)F)Cl 7a_100012242831_200015260668 [0,3,0,0,0,0|1,0,0]=4 21864 B13R1.136 O=CCOc1cc(c(c(c1)F)Br)F 34a_100009816007_200009817547 [0,3,0,0,0,0|1,0,0]=4 21865 B13R1.136 O=CCOc1cc(c(c(c1)F)Br)F 7a_100009816007_200015260668 [0,3,0,0,0,0|1,0,0]=4 21866 B13R1.136 O=CCOc1cc(c(c(c1)F)Cl)F 34a_100000117300_200009817547 [0,3,0,0,0,0|1,0,0]=4 21867 B13R1.136 O=CCOc1cc(c(c(c1)F)Cl)F 7a_100000117300_200015260668 [0,3,0,0,0,0|1,0,0]=4 21868 B13R1.136 O=CCOc1cc(c(c(c1)F)F)F 34a_100000237451_200009817547 [0,3,0,0,0,0|1,0,0]=4 21869 B13R1.136 O=CCOc1cc(c(c(c1)F)F)F 7a_100000237451_200015260668 [0,3,0,0,0,0|1,0,0]=4 21870 B13R1.136 O=CCOc1cc(c(c(c1)F)I)F 34a_100010219129_200009817547 [0,3,0,0,0,0|1,0,0]=4 21871 B13R1.136 O=CCOc1cc(c(c(c1)F)I)F 7a_100010219129_200015260668 [0,3,0,0,0,0|1,0,0]=4 21872 B13R1.575 C#Cc1cc(ccc1C)NCC=C 2230a_200012017271_100000210623 [0,3,0,0,0,0|1,0,0]=4 21873 B13R1.575 C#Cc1cc(ccc1C)NCC=C 34a_200012017271_100015514636 [0,3,0,0,0,0|1,0,0]=4 21874 B13R1.575 C#Cc1cc(ccc1Cl)NCC=C 2230a_103624766972_100000210623 [0,3,0,0,0,0|1,0,0]=4 21875 B13R1.575 C#Cc1cc(ccc1Cl)NCC=C 34a_103624766972_100015514636 [0,3,0,0,0,0|1,0,0]=4 21876 B13R1.575 C#Cc1cc(ccc1F)NCC=C 2230a_200011999510_100000210623 [0,3,0,0,0,0|1,0,0]=4 21877 B13R1.575 C#Cc1cc(ccc1F)NCC=C 34a_200011999510_100015514636 [0,3,0,0,0,0|1,0,0]=4 21878 B13R1.575 C=CCNc1ccc(c(c1)C#N)Br 34a_100011934039_100015514636 [0,3,0,0,0,0|1,0,0]=4 21879 B13R1.575 C=CCNc1ccc(c(c1)C#N)Br 7a_100011934039_100015514636 [0,3,0,0,0,0|1,0,0]=4 21880 B13R1.575 C=CCNc1ccc(c(c1)C#N)C 34a_100011216687_100015514636 [0,3,0,0,0,0|1,0,0]=4 21881 B13R1.575 C=CCNc1ccc(c(c1)C#N)C 7a_100011216687_100015514636 [0,3,0,0,0,0|1,0,0]=4 21882 B13R1.575 C=CCNc1ccc(c(c1)C#N)Cl 34a_100000239497_100015514636 [0,3,0,0,0,0|1,0,0]=4 21883 B13R1.575 C=CCNc1ccc(c(c1)C#N)Cl 7a_100000239497_100015514636 [0,3,0,0,0,0|1,0,0]=4 21884 B13R1.575 C=CCNc1ccc(c(c1)C#N)F 34a_100000748589_100015514636 [0,3,0,0,0,0|1,0,0]=4 21885 B13R1.575 C=CCNc1ccc(c(c1)C#N)F 7a_100000748589_100015514636 [0,3,0,0,0,0|1,0,0]=4 21886 B13R1.575 C=CCNc1ccc(c(c1)C#N)O 34a_100011249283_100015514636 [0,3,0,0,0,0|1,0,0]=4 21887 B13R1.575 C=CCNc1ccc(c(c1)CC)Br 2230a_100010109747_100000210623 [0,3,0,0,0,0|1,0,0]=4 21888 B13R1.575 C=CCNc1ccc(c(c1)CC)Br 34a_100010109747_100015514636 [0,3,0,0,0,0|1,0,0]=4 21889 B13R1.575 C=CCNc1ccc(c(c1)CC)Br 7a_100010109747_100015514636 [0,3,0,0,0,0|1,0,0]=4 21890 B13R1.575 C=CCNc1ccc(c(c1)CO)Br 2230a_100012347228_100000210623 [0,3,0,0,0,0|1,0,0]=4 21891 B13R1.575 C=CCNc1ccc(c(c1)CO)Br 34a_100012347228_100015514636 [0,3,0,0,0,0|1,0,0]=4 21892 B13R1.575 C=CCNc1ccc(c(c1)CO)Cl 2230a_100011273577_100000210623 [0,3,0,0,0,0|1,0,0]=4 21893 B13R1.575 C=CCNc1ccc(c(c1)CO)Cl 34a_100011273577_100015514636 [0,3,0,0,0,0|1,0,0]=4 21894 B13R1.575 C=CCNc1ccc(c(c1)CO)F 34a_100011218011_100015514636 [0,3,0,0,0,0|1,0,0]=4 21895 B13R1.575 C=CCNc1ccc(c(c1)OC)Br 2230a_100000765947_100000210623 [0,3,0,0,0,0|1,0,0]=4 21896 B13R1.575 C=CCNc1ccc(c(c1)OC)Br 34a_100000765947_100015514636 [0,3,0,0,0,0|1,0,0]=4 21897 B13R1.575 C=CCNc1ccc(c(c1)OC)C 2230a_100011279678_100000210623 [0,3,0,0,0,0|1,0,0]=4 21898 B13R1.575 C=CCNc1ccc(c(c1)OC)C 34a_100011279678_100015514636 [0,3,0,0,0,0|1,0,0]=4 21899 B13R1.575 C=CCNc1ccc(c(c1)OC)Cl 2230a_100000742311_100000210623 [0,3,0,0,0,0|1,0,0]=4 21900 B13R1.575 C=CCNc1ccc(c(c1)OC)Cl 34a_100000742311_100015514636 [0,3,0,0,0,0|1,0,0]=4 21901 B13R1.575 C=CCNc1ccc(c(c1)OC)F 2230a_100000701188_100000210623 [0,3,0,0,0,0|1,0,0]=4 21902 B13R1.575 C=CCNc1ccc(c(c1)OC)F 34a_100000701188_100015514636 [0,3,0,0,0,0|1,0,0]=4 21903 B13R1.575 C=CCNc1ccc(c(c1)OC)I 34a_100000746945_100015514636 [0,3,0,0,0,0|1,0,0]=4 21904 B13R1.575 C=CCNc1ccc(c(c1)OC)O 34a_100000726020_100015514636 [0,3,0,0,0,0|1,0,0]=4 21905 B13R1.575 C=CCOc1ccc(c(c1)C#N)Br 34a_100009818209_100015514636 [0,3,0,0,0,0|0,0,0]=3 21906 B13R1.575 C=CCOc1ccc(c(c1)C#N)Br 7a_100009818209_100015514636 [0,3,0,0,0,0|0,0,0]=3 21907 B13R1.575 C=CCOc1ccc(c(c1)C#N)Cl 34a_100000092820_100015514636 [0,3,0,0,0,0|0,0,0]=3 21908 B13R1.575 C=CCOc1ccc(c(c1)C#N)Cl 7a_100000092820_100015514636 [0,3,0,0,0,0|0,0,0]=3 21909 B13R1.575 C=CCOc1ccc(c(c1)C#N)F 34a_100000070142_100015514636 [0,3,0,0,0,0|0,0,0]=3 21910 B13R1.575 C=CCOc1ccc(c(c1)C#N)F 7a_100000070142_100015514636 [0,3,0,0,0,0|0,0,0]=3 21911 B13R1.575 C=CCOc1ccc(c(c1)C#N)N 34a_200011997737_100015514636 [0,3,0,0,0,0|0,0,0]=3 21912 B13R1.575 C=CCOc1ccc(c(c1)C#N)N 7a_200011997737_100015514636 [0,3,0,0,0,0|0,0,0]=3 21913 B13R1.575 C=CCOc1ccc(c(c1)CC)Cl 34a_100000212063_100015514636 [0,3,0,0,0,0|0,0,0]=3 21914 B13R1.575 C=CCOc1ccc(c(c1)CC)Cl 7a_100000212063_100015514636 [0,3,0,0,0,0|0,0,0]=3 21915 B13R1.575 C=CCOc1ccc(c(c1)CN)C 34a_200009844824_100015514636 [0,3,0,0,0,0|0,0,0]=3 21916 B13R1.575 C=CCOc1ccc(c(c1)CO)Br 34a_100012351483_100015514636 [0,3,0,0,0,0|0,0,0]=3 21917 B13R1.575 C=CCOc1ccc(c(c1)CO)Br 7a_100012351483_100015514636 [0,3,0,0,0,0|0,0,0]=3 21918 B13R1.575 C=CCOc1ccc(c(c1)CO)C 34a_100009878257_100015514636 [0,3,0,0,0,0|0,0,0]=3 21919 B13R1.575 C=CCOc1ccc(c(c1)CO)C 7a_100009878257_100015514636 [0,3,0,0,0,0|0,0,0]=3 21920 B13R1.575 C=CCOc1ccc(c(c1)CO)Cl 34a_100000091669_100015514636 [0,3,0,0,0,0|0,0,0]=3 21921 B13R1.575 C=CCOc1ccc(c(c1)CO)Cl 7a_100000091669_100015514636 [0,3,0,0,0,0|0,0,0]=3 21922 B13R1.575 C=CCOc1ccc(c(c1)OC)Br 34a_100011827694_100015514636 [0,3,0,0,0,0|0,0,0]=3 21923 B13R1.575 C=CCOc1ccc(c(c1)OC)Br 7a_100011827694_100015514636 [0,3,0,0,0,0|0,0,0]=3 21924 B13R1.575 C=CCOc1ccc(c(c1)OC)C 34a_100009865632_100015514636 [0,3,0,0,0,0|0,0,0]=3 21925 B13R1.575 C=CCOc1ccc(c(c1)OC)C 7a_100009865632_100015514636 [0,3,0,0,0,0|0,0,0]=3 21926 B13R1.575 C=CCOc1ccc(c(c1)OC)Cl 34a_100012186310_100015514636 [0,3,0,0,0,0|0,0,0]=3 21927 B13R1.575 C=CCOc1ccc(c(c1)OC)Cl 7a_100012186310_100015514636 [0,3,0,0,0,0|0,0,0]=3 21928 B13R1.575 C=CCOc1ccc(c(c1)OC)F 34a_100012001760_100015514636 [0,3,0,0,0,0|0,0,0]=3 21929 B13R1.575 C=CCOc1ccc(c(c1)OC)F 7a_100012001760_100015514636 [0,3,0,0,0,0|0,0,0]=3 21930 B13R1.575 C=CCOc1ccc(c(c1)OC)N 34a_100015326901_100015514636 [0,3,0,0,0,0|0,0,0]=3 21931 B13R1.575 C=CCOc1ccc(c(c1)OC)N 7a_100015326901_100015514636 [0,3,0,0,0,0|0,0,0]=3 21932 B13R1.575 C=CCSc1ccc(c(c1)C#N)Br 62a_100000210623_100012355174 [0,3,0,0,0,0|0,1,0]=4 21933 B13R1.575 C=CCSc1ccc(c(c1)C#N)Br 62a_100012355174_100000210623 [0,3,0,0,0,0|0,1,0]=4 21934 B13R1.575 C=CCSc1ccc(c(c1)C#N)C 62a_100000210623_100011356939 [0,3,0,0,0,0|0,1,0]=4 21935 B13R1.575 C=CCSc1ccc(c(c1)C#N)Cl 62a_100000210623_100011356831 [0,3,0,0,0,0|0,1,0]=4 21936 B13R1.575 C=CCSc1ccc(c(c1)C#N)F 62a_100000210623_100000037165 [0,3,0,0,0,0|0,1,0]=4 21937 B13R1.575 C=CCSc1ccc(c(c1)C#N)N 62a_100000210623_100000688460 [0,3,0,0,0,0|0,1,0]=4 21938 B13R1.575 C=CCSc1ccc(c(c1)C#N)O 62a_100000210623_100000687585 [0,3,0,0,0,0|0,1,0]=4 21939 B13R1.575 C=CCSc1ccc(c(c1)C=C)F 62a_100000210623_100000688377 [0,3,0,0,0,0|0,1,0]=4 21940 B13R1.575 C=CCSc1ccc(c(c1)C=C)F 62a_100000688377_100000210623 [0,3,0,0,0,0|0,1,0]=4 21941 B13R1.575 C=CCSc1ccc(c(c1)C=O)Br 62a_100000210623_100010185652 [0,3,0,0,0,0|0,1,0]=4 21942 B13R1.575 C=CCSc1ccc(c(c1)C=O)Br 62a_100010185652_100000210623 [0,3,0,0,0,0|0,1,0]=4 21943 B13R1.575 C=CCSc1ccc(c(c1)C=O)C 62a_100000210623_100011361606 [0,3,0,0,0,0|0,1,0]=4 21944 B13R1.575 C=CCSc1ccc(c(c1)C=O)C 62a_100011361606_100000210623 [0,3,0,0,0,0|0,1,0]=4 21945 B13R1.575 C=CCSc1ccc(c(c1)C=O)Cl 62a_100000210623_100010254384 [0,3,0,0,0,0|0,1,0]=4 21946 B13R1.575 C=CCSc1ccc(c(c1)C=O)Cl 62a_100010254384_100000210623 [0,3,0,0,0,0|0,1,0]=4 21947 B13R1.575 C=CCSc1ccc(c(c1)C=O)F 62a_100000050626_100000210623 [0,3,0,0,0,0|0,1,0]=4 21948 B13R1.575 C=CCSc1ccc(c(c1)C=O)F 62a_100000210623_100000050626 [0,3,0,0,0,0|0,1,0]=4 21949 B13R1.575 C=CCSc1ccc(c(c1)C=O)N 62a_100011935258_100000210623 [0,3,0,0,0,0|0,1,0]=4 21950 B13R1.575 C=CCSc1ccc(c(c1)C=O)O 62a_100000210623_100000186750 [0,3,0,0,0,0|0,1,0]=4 21951 B13R1.575 C=CCSc1ccc(c(c1)CC)Br 62a_100000210623_100010244631 [0,3,0,0,0,0|0,1,0]=4 21952 B13R1.575 C=CCSc1ccc(c(c1)CC)Br 62a_100010244631_100000210623 [0,3,0,0,0,0|0,1,0]=4 21953 B13R1.575 C=CCSc1ccc(c(c1)CC)F 62a_100000210623_100010244625 [0,3,0,0,0,0|0,1,0]=4 21954 B13R1.575 C=CCSc1ccc(c(c1)CC)F 62a_100010244625_100000210623 [0,3,0,0,0,0|0,1,0]=4 21955 B13R1.575 C=CCSc1ccc(c(c1)CC)N 62a_100000210623_100000686106 [0,3,0,0,0,0|0,1,0]=4 21956 B13R1.575 C=CCSc1ccc(c(c1)CC)N 62a_100000686106_100000210623 [0,3,0,0,0,0|0,1,0]=4 21957 B13R1.575 C=CCSc1ccc(c(c1)CC)O 62a_100000210623_100012338938 [0,3,0,0,0,0|0,1,0]=4 21958 B13R1.575 C=CCSc1ccc(c(c1)CN)F 62a_100000210623_100009815772 [0,3,0,0,0,0|0,1,0]=4 21959 B13R1.575 C=CCSc1ccc(c(c1)CN)F 62a_100009815772_100000210623 [0,3,0,0,0,0|0,1,0]=4 21960 B13R1.575 C=CCSc1ccc(c(c1)CN)N 62a_100000210623_100012349119 [0,3,0,0,0,0|0,1,0]=4 21961 B13R1.575 C=CCSc1ccc(c(c1)CN)N 62a_100012349119_100000210623 [0,3,0,0,0,0|0,1,0]=4 21962 B13R1.575 C=CCSc1ccc(c(c1)CN)O 62a_100000210623_100000730032 [0,3,0,0,0,0|0,1,0]=4 21963 B13R1.575 C=CCSc1ccc(c(c1)CN)O 62a_100000730032_100000210623 [0,3,0,0,0,0|0,1,0]=4 21964 B13R1.575 C=CCSc1ccc(c(c1)CO)Br 62a_100000210623_100012359683 [0,3,0,0,0,0|0,1,0]=4 21965 B13R1.575 C=CCSc1ccc(c(c1)CO)Br 62a_100012359683_100000210623 [0,3,0,0,0,0|0,1,0]=4 21966 B13R1.575 C=CCSc1ccc(c(c1)CO)C 62a_100000210623_100000700630 [0,3,0,0,0,0|0,1,0]=4 21967 B13R1.575 C=CCSc1ccc(c(c1)CO)C 62a_100000700630_100000210623 [0,3,0,0,0,0|0,1,0]=4 21968 B13R1.575 C=CCSc1ccc(c(c1)CO)Cl 62a_100000210623_100010128486 [0,3,0,0,0,0|0,1,0]=4 21969 B13R1.575 C=CCSc1ccc(c(c1)CO)Cl 62a_100010128486_100000210623 [0,3,0,0,0,0|0,1,0]=4 21970 B13R1.575 C=CCSc1ccc(c(c1)CO)F 62a_100000210623_100000246282 [0,3,0,0,0,0|0,1,0]=4 21971 B13R1.575 C=CCSc1ccc(c(c1)CO)F 62a_100000246282_100000210623 [0,3,0,0,0,0|0,1,0]=4 21972 B13R1.575 C=CCSc1ccc(c(c1)CO)N 62a_100000210623_100012353972 [0,3,0,0,0,0|0,1,0]=4 21973 B13R1.575 C=CCSc1ccc(c(c1)CO)N 62a_100012353972_100000210623 [0,3,0,0,0,0|0,1,0]=4 21974 B13R1.575 C=CCSc1ccc(c(c1)CO)O 62a_100000184703_100000210623 [0,3,0,0,0,0|0,1,0]=4 21975 B13R1.575 C=CCSc1ccc(c(c1)CO)O 62a_100000210623_100000184703 [0,3,0,0,0,0|0,1,0]=4 21976 B13R1.575 C=CCSc1ccc(c(c1)NC)C 62a_100000210623_100020629602 [0,3,0,0,0,0|0,1,0]=4 21977 B13R1.575 C=CCSc1ccc(c(c1)NC)C 62a_100020629602_100000210623 [0,3,0,0,0,0|0,1,0]=4 21978 B13R1.575 C=CCSc1ccc(c(c1)NC)F 62a_100000210623_100011314990 [0,3,0,0,0,0|0,1,0]=4 21979 B13R1.575 C=CCSc1ccc(c(c1)NC)F 62a_100011314990_100000210623 [0,3,0,0,0,0|0,1,0]=4 21980 B13R1.575 C=CCSc1ccc(c(c1)NC)N 62a_100000694363_100000210623 [0,3,0,0,0,0|0,1,0]=4 21981 B13R1.575 C=CCSc1ccc(c(c1)NN)F 62a_100000210623_100020610843 [0,3,0,0,0,0|0,1,0]=4 21982 B13R1.575 C=CCSc1ccc(c(c1)NN)F 62a_100020610843_100000210623 [0,3,0,0,0,0|0,1,0]=4 21983 B13R1.575 C=CCSc1ccc(c(c1)OC)Br 62a_100000210623_100012353699 [0,3,0,0,0,0|0,1,0]=4 21984 B13R1.575 C=CCSc1ccc(c(c1)OC)Br 62a_100012353699_100000210623 [0,3,0,0,0,0|0,1,0]=4 21985 B13R1.575 C=CCSc1ccc(c(c1)OC)C 62a_100000210623_100011830276 [0,3,0,0,0,0|0,1,0]=4 21986 B13R1.575 C=CCSc1ccc(c(c1)OC)C 62a_100011830276_100000210623 [0,3,0,0,0,0|0,1,0]=4 21987 B13R1.575 C=CCSc1ccc(c(c1)OC)Cl 62a_100000210623_100011356853 [0,3,0,0,0,0|0,1,0]=4 21988 B13R1.575 C=CCSc1ccc(c(c1)OC)Cl 62a_100011356853_100000210623 [0,3,0,0,0,0|0,1,0]=4 21989 B13R1.575 C=CCSc1ccc(c(c1)OC)F 62a_100000210623_100011934186 [0,3,0,0,0,0|0,1,0]=4 21990 B13R1.575 C=CCSc1ccc(c(c1)OC)F 62a_100011934186_100000210623 [0,3,0,0,0,0|0,1,0]=4 21991 B13R1.575 C=CCSc1ccc(c(c1)OC)N 62a_100000210623_100015196925 [0,3,0,0,0,0|0,1,0]=4 21992 B13R1.575 C=CCSc1ccc(c(c1)OC)N 62a_100011279103_100000210623 [0,3,0,0,0,0|0,1,0]=4 21993 B13R1.575 C=CCSc1ccc(c(c1)OC)O 62a_100000210623_100000694246 [0,3,0,0,0,0|0,1,0]=4 21994 B13R1.575 C=CCSc1ccc(c(c1)SC)F 62a_100000210623_100010341305 [0,3,0,0,0,0|0,1,0]=4 21995 B13R1.575 C=CCSc1ccc(c(c1)SC)F 62a_100010341305_100000210623 [0,3,0,0,0,0|0,1,0]=4 21996 B13R1.575 CCc1cc(ccc1Cl)OCC=O 34a_100000212063_200009817547 [0,3,0,0,0,0|1,0,0]=4 21997 B13R1.575 CCc1cc(ccc1Cl)OCC=O 7a_100000212063_200015260668 [0,3,0,0,0,0|1,0,0]=4 21998 B13R1.575 COc1cc(ccc1Br)OCC=O 34a_100011827694_200009817547 [0,3,0,0,0,0|1,0,0]=4 21999 B13R1.575 COc1cc(ccc1Br)OCC=O 7a_100011827694_200015260668 [0,3,0,0,0,0|1,0,0]=4 22000 B13R1.575 COc1cc(ccc1C)OCC=O 34a_100009865632_200009817547 [0,3,0,0,0,0|1,0,0]=4 22001 B13R1.575 COc1cc(ccc1C)OCC=O 7a_100009865632_200015260668 [0,3,0,0,0,0|1,0,0]=4 22002 B13R1.575 COc1cc(ccc1Cl)OCC=O 34a_100012186310_200009817547 [0,3,0,0,0,0|1,0,0]=4 22003 B13R1.575 COc1cc(ccc1Cl)OCC=O 7a_100012186310_200015260668 [0,3,0,0,0,0|1,0,0]=4 22004 B13R1.575 COc1cc(ccc1F)OCC=O 34a_100012001760_200009817547 [0,3,0,0,0,0|1,0,0]=4 22005 B13R1.575 COc1cc(ccc1F)OCC=O 7a_100012001760_200015260668 [0,3,0,0,0,0|1,0,0]=4 22006 B13R1.575 COc1cc(ccc1N)OCC=O 34a_100015326901_200009817547 [0,3,0,0,0,0|1,0,0]=4 22007 B13R1.575 COc1cc(ccc1N)OCC=O 7a_100015326901_200015260668 [0,3,0,0,0,0|1,0,0]=4 22008 B13R1.575 Cc1ccc(cc1CN)OCC=O 34a_200009844824_200009817547 [0,3,0,0,0,0|1,0,0]=4 22009 B13R1.575 Cc1ccc(cc1CO)OCC=O 34a_100009878257_200009817547 [0,3,0,0,0,0|1,0,0]=4 22010 B13R1.575 Cc1ccc(cc1CO)OCC=O 7a_100009878257_200015260668 [0,3,0,0,0,0|1,0,0]=4 22011 B13R1.575 N#Cc1cc(ccc1Br)OCC=O 34a_100009818209_200009817547 [0,3,0,0,0,0|1,0,0]=4 22012 B13R1.575 N#Cc1cc(ccc1Br)OCC=O 7a_100009818209_200015260668 [0,3,0,0,0,0|1,0,0]=4 22013 B13R1.575 N#Cc1cc(ccc1Cl)OCC=O 34a_100000092820_200009817547 [0,3,0,0,0,0|1,0,0]=4 22014 B13R1.575 N#Cc1cc(ccc1Cl)OCC=O 7a_100000092820_200015260668 [0,3,0,0,0,0|1,0,0]=4 22015 B13R1.575 N#Cc1cc(ccc1F)OCC=O 34a_100000070142_200009817547 [0,3,0,0,0,0|1,0,0]=4 22016 B13R1.575 N#Cc1cc(ccc1F)OCC=O 7a_100000070142_200015260668 [0,3,0,0,0,0|1,0,0]=4 22017 B13R1.575 N#Cc1cc(ccc1N)OCC=O 34a_200011997737_200009817547 [0,3,0,0,0,0|1,0,0]=4 22018 B13R1.575 N#Cc1cc(ccc1N)OCC=O 7a_200011997737_200015260668 [0,3,0,0,0,0|1,0,0]=4 22019 B13R1.575 O=CCOc1ccc(c(c1)CO)Br 34a_100012351483_200009817547 [0,3,0,0,0,0|1,0,0]=4 22020 B13R1.575 O=CCOc1ccc(c(c1)CO)Br 7a_100012351483_200015260668 [0,3,0,0,0,0|1,0,0]=4 22021 B13R1.575 O=CCOc1ccc(c(c1)CO)Cl 34a_100000091669_200009817547 [0,3,0,0,0,0|1,0,0]=4 22022 B13R1.575 O=CCOc1ccc(c(c1)CO)Cl 7a_100000091669_200015260668 [0,3,0,0,0,0|1,0,0]=4 22023 B13R1.2 C=CCC(NC)c1cccc(c1)Cl 2230a_100025714385_200000210301 [0,3,0,0,0,0|1,0,0]=4 22024 B13R1.2 C=CCC(NC)c1cccc(c1)Cl 34a_100025714385_200000210301 [0,3,0,0,0,0|1,0,0]=4 22025 B13R1.2 C=CCC(N[13CH3])c1cccc(c1)Cl 2230a_100025714385_200025704644 [0,3,0,0,0,0|1,0,0]=4 22026 B13R1.2 C=CCC(N[13CH3])c1cccc(c1)Cl 34a_100025714385_200025704644 [0,3,0,0,0,0|1,0,0]=4 22027 B13R1.2 C=CCN(CC)c1cccc(c1)Br 2230a_100000738899_100000210623 [0,3,0,0,0,0|1,0,0]=4 22028 B13R1.2 C=CCN(CC)c1cccc(c1)Br 269982a_100000738899_100000210623 [0,3,0,0,0,0|1,0,0]=4 22029 B13R1.2 C=CCN(CC)c1cccc(c1)Br 34a_100000738899_100015514636 [0,3,0,0,0,0|1,0,0]=4 22030 B13R1.2 C=CCN(CC)c1cccc(c1)C 2230a_100000182157_100000210623 [0,3,0,0,0,0|1,0,0]=4 22031 B13R1.2 C=CCN(CC)c1cccc(c1)C 269982a_100000182157_100000210623 [0,3,0,0,0,0|1,0,0]=4 22032 B13R1.2 C=CCN(CC)c1cccc(c1)C 34a_100000182157_100015514636 [0,3,0,0,0,0|1,0,0]=4 22033 B13R1.2 C=CCN(CC)c1cccc(c1)C 7a_100000182157_100015514636 [0,3,0,0,0,0|1,0,0]=4 22034 B13R1.2 C=CCN(CC)c1cccc(c1)O 2230a_100000717746_100000210623 [0,3,0,0,0,0|1,0,0]=4 22035 B13R1.2 C=CCN(CC)c1cccc(c1)O 269982a_100000717746_100000210623 [0,3,0,0,0,0|1,0,0]=4 22036 B13R1.2 C=CCN(CC)c1cccc(c1)O 34a_100000717746_100015514636 [0,3,0,0,0,0|1,0,0]=4 22037 B13R1.26 C#CC(OCC=C)c1ccccc1 34a_100011219616_100015514636 [0,3,0,0,0,0|0,0,0]=3 22038 B13R1.26 C#CC(OCC=C)c1ccccc1 7a_100011219616_100015514636 [0,3,0,0,0,0|0,0,0]=3 22039 B13R1.26 C#CC(OCC=O)c1ccccc1 34a_100011219616_200009817547 [0,3,0,0,0,0|1,0,0]=4 22040 B13R1.26 C#CC(OCC=O)c1ccccc1 7a_100011219616_200015260668 [0,3,0,0,0,0|1,0,0]=4 22041 B13R1.26 C/C=C/CN(CC)c1ccccc1 269982a_100000210013_100102629194 [0,3,0,0,0,0|1,0,0]=4 22042 B13R1.26 C/C=C/CN(CC)c1ccccc1 34a_100000210013_100102629194 [0,3,0,0,0,0|1,0,0]=4 22043 B13R1.26 C=CC(OCC=O)c1ccccc1 34a_100011215659_200009817547 [0,3,0,0,0,0|1,0,0]=4 22044 B13R1.26 C=CC(OCC=O)c1ccccc1 7a_100011215659_200015260668 [0,3,0,0,0,0|1,0,0]=4 22045 B13R1.26 C=CCCN(CC)c1ccccc1 2230a_100000210013_100000754431 [0,3,0,0,0,0|1,0,0]=4 22046 B13R1.26 C=CCCN(CC)c1ccccc1 269982a_100000210013_100000754431 [0,3,0,0,0,0|1,0,0]=4 22047 B13R1.26 C=CCCN(CC)c1ccccc1 34a_100000210013_100000754431 [0,3,0,0,0,0|1,0,0]=4 22048 B13R1.26 C=CCNC(C=C)c1ccccc1 2230a_100020586998_200000085779 [0,3,0,0,0,0|1,0,0]=4 22049 B13R1.26 C=CCNC(CC)c1ccccc1 2230a_100000737752_100000210623 [0,3,0,0,0,0|1,0,0]=4 22050 B13R1.26 C=CCN[C@H](CO)c1ccccc1 2230a_100000751927_100000210623 [0,3,0,0,0,0|1,0,0]=4 22051 B13R1.26 C=CCN[C@H](CO)c1ccccc1 34a_100000751927_100015514636 [0,3,0,0,0,0|1,0,0]=4 22052 B13R1.26 C=CCOC(C#N)c1ccccc1 7a_100011217353_100015514636 [0,3,0,0,0,0|0,0,0]=3 22053 B13R1.26 C=CCOC(C=C)c1ccccc1 34a_100011215659_100015514636 [0,3,0,0,0,0|0,0,0]=3 22054 B13R1.26 C=CCOC(C=C)c1ccccc1 7a_100011215659_100015514636 [0,3,0,0,0,0|0,0,0]=3 22055 B13R1.26 C=CCOC(CBr)c1ccccc1 7a_100000185958_100015514636 [0,3,0,0,0,0|0,0,0]=3 22056 B13R1.26 C=CCOC(CC)c1ccccc1 34a_100000698172_100015514636 [0,3,0,0,0,0|0,0,0]=3 22057 B13R1.26 C=CCOC(CC)c1ccccc1 7a_100000698172_100015514636 [0,3,0,0,0,0|0,0,0]=3 22058 B13R1.26 C=CCOC(CN)c1ccccc1 34a_100000210709_100015514636 [0,3,0,0,0,0|0,0,0]=3 22059 B13R1.26 C=CCO[C@H](CCl)c1ccccc1 34a_100011933945_100015514636 [0,3,0,0,0,0|0,0,0]=3 22060 B13R1.26 C=CCO[C@H](CCl)c1ccccc1 7a_100011933945_100015514636 [0,3,0,0,0,0|0,0,0]=3 22061 B13R1.26 C=CCSC(C=C)c1ccccc1 62a_100000210623_200000085779 [0,3,0,0,0,0|0,1,0]=4 22062 B13R1.26 C=CCSC(C=C)c1ccccc1 62a_200000085779_100000210623 [0,3,0,0,0,0|0,1,0]=4 22063 B13R1.26 CC=CCN(CC)c1ccccc1 2230a_100000210013_100000070051 [0,3,0,0,0,0|1,0,0]=4 22064 B13R1.26 CC=CCN(CC)c1ccccc1 34a_100000210013_100000070051 [0,3,0,0,0,0|1,0,0]=4 22065 B13R1.26 CCC(OCC=O)c1ccccc1 34a_100000698172_200009817547 [0,3,0,0,0,0|1,0,0]=4 22066 B13R1.26 CCC(OCC=O)c1ccccc1 7a_100000698172_200015260668 [0,3,0,0,0,0|1,0,0]=4 22067 B13R1.26 N#CC(OCC=O)c1ccccc1 7a_100011217353_200015260668 [0,3,0,0,0,0|1,0,0]=4 22068 B13R1.26 NCC(OCC=O)c1ccccc1 34a_100000210709_200009817547 [0,3,0,0,0,0|1,0,0]=4 22069 B13R1.26 O=CCOC(CBr)c1ccccc1 7a_100000185958_200015260668 [0,3,0,0,0,0|1,0,0]=4 22070 B13R1.26 O=CCO[C@H](CCl)c1ccccc1 34a_100011933945_200009817547 [0,3,0,0,0,0|1,0,0]=4 22071 B13R1.26 O=CCO[C@H](CCl)c1ccccc1 7a_100011933945_200015260668 [0,3,0,0,0,0|1,0,0]=4 22072 B13R1.173 C=CCN(CC)c1ccccc1Br 2230a_114873767003_100000210623 [0,3,0,0,0,0|1,0,0]=4 22073 B13R1.173 C=CCN(CC)c1ccccc1Br 269982a_114873767003_100000210623 [0,3,0,0,0,0|1,0,0]=4 22074 B13R1.173 C=CCN(CC)c1ccccc1Br 34a_114873767003_100015514636 [0,3,0,0,0,0|1,0,0]=4 22075 B13R1.173 C=CCN(CC)c1ccccc1C 2230a_100000211084_100000210623 [0,3,0,0,0,0|1,0,0]=4 22076 B13R1.173 C=CCN(CC)c1ccccc1C 269982a_100000211084_100000210623 [0,3,0,0,0,0|1,0,0]=4 22077 B13R1.173 C=CCN(CC)c1ccccc1C 34a_100000211084_100015514636 [0,3,0,0,0,0|1,0,0]=4 22078 B13R1.173 C=CCN(CC)c1ccccc1F 2230a_100000220365_100000210623 [0,3,0,0,0,0|1,0,0]=4 22079 B13R1.173 C=CCN(CC)c1ccccc1F 269982a_100000220365_100000210623 [0,3,0,0,0,0|1,0,0]=4 22080 B13R1.173 C=CCN(CC)c1ccccc1F 34a_100000220365_100015514636 [0,3,0,0,0,0|1,0,0]=4 22081 B13R1.173 C=CCN(CC)c1ccccc1O 269982a_103624766699_100000210623 [0,3,0,0,0,0|1,0,0]=4 22082 B13R1.398 C#CCN(CC=C)c1ccccc1 2230a_100000211662_100000038162 [0,3,0,0,0,0|1,0,0]=4 22083 B13R1.398 C#CCN(CC=C)c1ccccc1 34a_100000211662_100000184674 [0,3,0,0,0,0|1,0,0]=4 22084 B13R1.398 C=CCC(OCC)c1ccccc1 34a_100000687291_100000210202 [0,3,0,0,0,0|1,0,0]=4 22085 B13R1.398 C=CCC(OCC)c1ccccc1 7a_100000687291_100000210202 [0,3,0,0,0,0|1,0,0]=4 22086 B13R1.398 C=CCC(OCF)c1ccccc1 34a_100000687291_100015361967 [0,3,0,0,0,0|1,0,0]=4 22087 B13R1.398 C=CCC(OCF)c1ccccc1 7a_100000687291_100015361967 [0,3,0,0,0,0|1,0,0]=4 22088 B13R1.398 C=CCN(CC#N)c1ccccc1 2230a_100000211662_100011215382 [0,3,0,0,0,0|1,0,0]=4 22089 B13R1.398 C=CCN(CC#N)c1ccccc1 269982a_100000211662_100011214920 [0,3,0,0,0,0|1,0,0]=4 22090 B13R1.398 C=CCN(CC=C)c1ccccc1 2230a_100000211662_100000210623 [0,3,0,0,0,0|1,0,0]=4 22091 B13R1.398 C=CCN(CC=C)c1ccccc1 269982a_100000211662_100000210623 [0,3,0,0,0,0|1,0,0]=4 22092 B13R1.398 C=CCN(CC=C)c1ccccc1 34a_100000211662_100015514636 [0,3,0,0,0,0|1,0,0]=4 22093 B13R1.398 C=CCN(CC=O)c1ccccc1 2230a_100000211662_200015260668 [0,3,0,0,0,0|1,0,0]=4 22094 B13R1.398 C=CCN(CC=O)c1ccccc1 269982a_100000211662_200015260668 [0,3,0,0,0,0|1,0,0]=4 22095 B13R1.398 C=CCN(CC=O)c1ccccc1 34a_100000211662_200009817547 [0,3,0,0,0,0|1,0,0]=4 22096 B13R1.398 C=CCN(CCC)c1ccccc1 2230a_100000211662_100000210303 [0,3,0,0,0,0|1,0,0]=4 22097 B13R1.398 C=CCN(CCC)c1ccccc1 2230a_200011218496_100000210623 [0,3,0,0,0,0|1,0,0]=4 22098 B13R1.398 C=CCN(CCC)c1ccccc1 269982a_100000211662_100000210303 [0,3,0,0,0,0|1,0,0]=4 22099 B13R1.398 C=CCN(CCC)c1ccccc1 269982a_200011218496_100000210623 [0,3,0,0,0,0|1,0,0]=4 22100 B13R1.398 C=CCN(CCC)c1ccccc1 34a_100000211662_100000210303 [0,3,0,0,0,0|1,0,0]=4 22101 B13R1.398 C=CCN(CCC)c1ccccc1 34a_200011218496_100015514636 [0,3,0,0,0,0|1,0,0]=4 22102 B13R1.398 C=CCN(CCF)c1ccccc1 2230a_100000211662_100011217306 [0,3,0,0,0,0|1,0,0]=4 22103 B13R1.398 C=CCN(CCF)c1ccccc1 269982a_100000211662_100011217306 [0,3,0,0,0,0|1,0,0]=4 22104 B13R1.398 C=CCN(CCF)c1ccccc1 34a_100000211662_100011217306 [0,3,0,0,0,0|1,0,0]=4 22105 B13R1.398 C=CCN(CCO)c1ccccc1 2230a_100000211345_100000210623 [0,3,0,0,0,0|1,0,0]=4 22106 B13R1.398 C=CCN(CCO)c1ccccc1 2230a_100000211662_100000211926 [0,3,0,0,0,0|1,0,0]=4 22107 B13R1.398 C=CCN(CCO)c1ccccc1 269982a_100000211345_100000210623 [0,3,0,0,0,0|1,0,0]=4 22108 B13R1.398 C=CCN(CCO)c1ccccc1 269982a_100000211662_100000211926 [0,3,0,0,0,0|1,0,0]=4 22109 B13R1.398 C=CCN(CCO)c1ccccc1 34a_100000211345_100015514636 [0,3,0,0,0,0|1,0,0]=4 22110 B13R1.398 C=CCN(CCO)c1ccccc1 34a_100000211662_100000211926 [0,3,0,0,0,0|1,0,0]=4 22111 B13R1.398 C=CCN(COC)c1ccccc1 2230a_100000211662_100000766300 [0,3,0,0,0,0|1,0,0]=4 22112 B13R1.398 C=CCN(COC)c1ccccc1 269982a_100000211662_100000766300 [0,3,0,0,0,0|1,0,0]=4 22113 B13R1.398 C=CCN(CSC)c1ccccc1 2230a_100000211662_100011218213 [0,3,0,0,0,0|1,0,0]=4 22114 B13R1.398 C=CCN(CSC)c1ccccc1 269982a_100000211662_100011218213 [0,3,0,0,0,0|1,0,0]=4 22115 B13R1.398 C=CCN(CSC)c1ccccc1 34a_100000211662_100011218213 [0,3,0,0,0,0|1,0,0]=4 22116 B13R1.402 C=CCC(C)(OC)c1ccccc1 7a_200011216374_200000210301 [0,3,0,0,0,0|1,0,0]=4 22117 B13R1.402 C=CCC(C)(O[13CH3])c1ccccc1 7a_200011216374_200025704644 [0,3,0,0,0,0|1,0,0]=4 22118 B13R1.405 C=CCN(C(=O)C)c1ccccc1 11a_100000211662_100015343762 [0,3,0,0,0,0|1,0,0]=4 22119 B13R1.405 C=CCN(C(=O)C)c1ccccc1 1626a_100000211662_100015343762 [0,3,0,0,0,0|1,0,0]=4 22120 B13R1.405 C=CCN(C(=O)C)c1ccccc1 22a_100000211662_100000070787 [0,3,0,0,0,0|1,0,0]=4 22121 B13R1.405 C=CCN(c1ccccc1)C(C)C 2230a_100000210572_100000210623 [0,3,0,0,0,0|1,0,0]=4 22122 B13R1.405 C=CCN(c1ccccc1)C(C)C 2230a_100000211662_100000210206 [0,3,0,0,0,0|1,0,0]=4 22123 B13R1.405 C=CCN(c1ccccc1)C(C)C 269982a_100000210572_100000210623 [0,3,0,0,0,0|1,0,0]=4 22124 B13R1.405 C=CCN(c1ccccc1)C(C)C 269982a_100000211662_100000210206 [0,3,0,0,0,0|1,0,0]=4 22125 B13R1.405 C=CCN(c1ccccc1)C(C)C 34a_100000210572_100015514636 [0,3,0,0,0,0|1,0,0]=4 22126 B13R1.405 C=CCN(c1ccccc1)C(C)C 34a_100000211662_100000210206 [0,3,0,0,0,0|1,0,0]=4 22127 B13R1.405 C=CCN(c1ccccc1)C(C)C 7a_100000210572_100015514636 [0,3,0,0,0,0|1,0,0]=4 22128 B13R1.532 C=CC(C)N(CC)c1ccccc1 269982a_100000210013_100011215867 [0,3,0,0,0,0|1,0,0]=4 22129 B13R1.713 C=C(C)CN(CC)c1ccccc1 2230a_100000210013_100000748629 [0,3,0,0,0,0|1,0,0]=4 22130 B13R1.713 C=C(C)CN(CC)c1ccccc1 269982a_100000210013_100000748629 [0,3,0,0,0,0|1,0,0]=4 22131 B13R1.713 C=C(C)CN(CC)c1ccccc1 34a_100000210013_100000748629 [0,3,0,0,0,0|1,0,0]=4 22132 B13R1.713 C=C(F)CN(CC)c1ccccc1 2230a_100000210013_100009893438 [0,3,0,0,0,0|1,0,0]=4 22133 B13R1.713 C=C(F)CN(CC)c1ccccc1 269982a_100000210013_100009893438 [0,3,0,0,0,0|1,0,0]=4 22134 B13R1.713 C=C(F)CN(CC)c1ccccc1 34a_100000210013_100009893438 [0,3,0,0,0,0|1,0,0]=4 22135 B13R1.12 C=CCC(=O)c1cccc(c1Br)Br 1458a_100012360534_100000210623 [0,3,0,0,0,0|1,0,0]=4 22136 B13R1.12 C=CCC(=O)c1cccc(c1Br)C 1458a_100000692419_100000210623 [0,3,0,0,0,0|1,0,0]=4 22137 B13R1.12 C=CCC(=O)c1cccc(c1Br)Cl 1458a_100012339722_100000210623 [0,3,0,0,0,0|1,0,0]=4 22138 B13R1.12 C=CCC(=O)c1cccc(c1Br)F 1458a_100011217547_100000210623 [0,3,0,0,0,0|1,0,0]=4 22139 B13R1.12 C=CCC(=O)c1cccc(c1Br)I 1458a_100010232522_100000210623 [0,3,0,0,0,0|1,0,0]=4 22140 B13R1.12 C=CCC(=O)c1cccc(c1Br)O 1458a_100010230362_100000210623 [0,3,0,0,0,0|1,0,0]=4 22141 B13R1.12 C=CCC(=O)c1cccc(c1C)Br 1458a_100000760464_100000210623 [0,3,0,0,0,0|1,0,0]=4 22142 B13R1.12 C=CCC(=O)c1cccc(c1C)C 1458a_100000183679_100000210623 [0,3,0,0,0,0|1,0,0]=4 22143 B13R1.12 C=CCC(=O)c1cccc(c1C)Cl 1458a_100000690184_100000210623 [0,3,0,0,0,0|1,0,0]=4 22144 B13R1.12 C=CCC(=O)c1cccc(c1C)F 1458a_100011218272_100000210623 [0,3,0,0,0,0|1,0,0]=4 22145 B13R1.12 C=CCC(=O)c1cccc(c1C)I 1458a_100000751865_100000210623 [0,3,0,0,0,0|1,0,0]=4 22146 B13R1.12 C=CCC(=O)c1cccc(c1C)O 1458a_100000766327_100000210623 [0,3,0,0,0,0|1,0,0]=4 22147 B13R1.12 C=CCC(=O)c1cccc(c1Cl)Br 1458a_100000760540_100000210623 [0,3,0,0,0,0|1,0,0]=4 22148 B13R1.12 C=CCC(=O)c1cccc(c1Cl)C 1458a_100000693142_100000210623 [0,3,0,0,0,0|1,0,0]=4 22149 B13R1.12 C=CCC(=O)c1cccc(c1Cl)Cl 1458a_100000183631_100000210623 [0,3,0,0,0,0|1,0,0]=4 22150 B13R1.12 C=CCC(=O)c1cccc(c1Cl)F 1458a_100000759904_100000210623 [0,3,0,0,0,0|1,0,0]=4 22151 B13R1.12 C=CCC(=O)c1cccc(c1Cl)I 1458a_100010176783_100000210623 [0,3,0,0,0,0|1,0,0]=4 22152 B13R1.12 C=CCC(=O)c1cccc(c1Cl)O 1458a_100000092362_100000210623 [0,3,0,0,0,0|1,0,0]=4 22153 B13R1.12 C=CCC(=O)c1cccc(c1F)Br 1458a_100000756403_100000210623 [0,3,0,0,0,0|1,0,0]=4 22154 B13R1.12 C=CCC(=O)c1cccc(c1F)C 1458a_100000766181_100000210623 [0,3,0,0,0,0|1,0,0]=4 22155 B13R1.12 C=CCC(=O)c1cccc(c1F)Cl 1458a_100000688816_100000210623 [0,3,0,0,0,0|1,0,0]=4 22156 B13R1.12 C=CCC(=O)c1cccc(c1F)F 1458a_100000748134_100000210623 [0,3,0,0,0,0|1,0,0]=4 22157 B13R1.12 C=CCC(=O)c1cccc(c1F)I 1458a_100010185205_100000210623 [0,3,0,0,0,0|1,0,0]=4 22158 B13R1.12 C=CCC(=O)c1cccc(c1F)O 1458a_100000037433_100000210623 [0,3,0,0,0,0|1,0,0]=4 22159 B13R1.12 C=CCC(=O)c1cccc(c1I)Br 1458a_100000688019_100000210623 [0,3,0,0,0,0|1,0,0]=4 22160 B13R1.12 C=CCC(=O)c1cccc(c1I)C 1458a_100000739377_100000210623 [0,3,0,0,0,0|1,0,0]=4 22161 B13R1.12 C=CCC(=O)c1cccc(c1I)Cl 1458a_100010176784_100000210623 [0,3,0,0,0,0|1,0,0]=4 22162 B13R1.12 C=CCC(=O)c1cccc(c1I)F 1458a_100000690930_100000210623 [0,3,0,0,0,0|1,0,0]=4 22163 B13R1.12 C=CCC(=O)c1cccc(c1I)O 1458a_100010084636_100000210623 [0,3,0,0,0,0|1,0,0]=4 22164 B13R1.12 C=CCC(=O)c1cccc(c1O)Br 1458a_100000752940_100000210623 [0,3,0,0,0,0|1,0,0]=4 22165 B13R1.12 C=CCC(=O)c1cccc(c1O)C 1458a_100000183896_100000210623 [0,3,0,0,0,0|1,0,0]=4 22166 B13R1.12 C=CCC(=O)c1cccc(c1O)Cl 1458a_100000742801_100000210623 [0,3,0,0,0,0|1,0,0]=4 22167 B13R1.12 C=CCC(=O)c1cccc(c1O)F 1458a_100011217230_100000210623 [0,3,0,0,0,0|1,0,0]=4 22168 B13R1.12 C=CCC(=O)c1cccc(c1O)O 1458a_100000690420_100000210623 [0,3,0,0,0,0|1,0,0]=4 22169 B13R1.12 C=CCN(C)c1cccc(c1C)Cl 2230a_100020606106_100000210623 [0,3,0,0,0,0|1,0,0]=4 22170 B13R1.12 C=CCN(C)c1cccc(c1C)Cl 269982a_100020606106_100000210623 [0,3,0,0,0,0|1,0,0]=4 22171 B13R1.12 C=CCN(C)c1cccc(c1C)Cl 34a_100020606106_100015514636 [0,3,0,0,0,0|1,0,0]=4 22172 B13R1.12 C=CCN(C)c1cccc(c1C)Cl 38a_100020606106_100000210623 [0,3,0,0,0,0|1,0,0]=4 22173 B13R1.12 C=CCN(C)c1cccc(c1Cl)Cl 2230a_100000742713_100000210623 [0,3,0,0,0,0|1,0,0]=4 22174 B13R1.12 C=CCN(C)c1cccc(c1Cl)Cl 269982a_100000742713_100000210623 [0,3,0,0,0,0|1,0,0]=4 22175 B13R1.12 C=CCN(C)c1cccc(c1Cl)Cl 34a_100000742713_100015514636 [0,3,0,0,0,0|1,0,0]=4 22176 B13R1.12 C=CCN(C)c1cccc(c1F)Cl 2230a_100020633735_100000210623 [0,3,0,0,0,0|1,0,0]=4 22177 B13R1.12 C=CCN(C)c1cccc(c1F)Cl 269982a_100020633735_100000210623 [0,3,0,0,0,0|1,0,0]=4 22178 B13R1.12 C=CCN(C)c1cccc(c1F)Cl 34a_100020633735_100015514636 [0,3,0,0,0,0|1,0,0]=4 22179 B13R1.12 C=CCN(C)c1cccc(c1F)Cl 38a_100020633735_100000210623 [0,3,0,0,0,0|1,0,0]=4 22180 B13R1.18 C/C=C/CC(=O)c1cccc(c1)Br 1458a_100000210664_100102629194 [0,3,0,0,0,0|1,0,0]=4 22181 B13R1.18 C/C=C/CC(=O)c1cccc(c1)C 1458a_100000189346_100102629194 [0,3,0,0,0,0|1,0,0]=4 22182 B13R1.18 C/C=C/CC(=O)c1cccc(c1)Cl 1458a_100000210390_100102629194 [0,3,0,0,0,0|1,0,0]=4 22183 B13R1.18 C/C=C/CC(=O)c1cccc(c1)F 1458a_100000210950_100102629194 [0,3,0,0,0,0|1,0,0]=4 22184 B13R1.18 C/C=C/CC(=O)c1cccc(c1)I 1458a_100000184098_100102629194 [0,3,0,0,0,0|1,0,0]=4 22185 B13R1.18 C/C=C/CC(=O)c1cccc(c1)O 1458a_100000183914_100102629194 [0,3,0,0,0,0|1,0,0]=4 22186 B13R1.18 C/C=C/CN(C)c1cccc(c1)Br 269982a_100000219648_100102629194 [0,3,0,0,0,0|1,0,0]=4 22187 B13R1.18 C/C=C/CN(C)c1cccc(c1)Br 34a_100000219648_100102629194 [0,3,0,0,0,0|1,0,0]=4 22188 B13R1.18 C/C=C/CN(C)c1cccc(c1)C 269982a_100000219674_100102629194 [0,3,0,0,0,0|1,0,0]=4 22189 B13R1.18 C/C=C/CN(C)c1cccc(c1)C 34a_100000219674_100102629194 [0,3,0,0,0,0|1,0,0]=4 22190 B13R1.18 C/C=C/CN(C)c1cccc(c1)Cl 269982a_100000220044_100102629194 [0,3,0,0,0,0|1,0,0]=4 22191 B13R1.18 C/C=C/CN(C)c1cccc(c1)Cl 34a_100000220044_100102629194 [0,3,0,0,0,0|1,0,0]=4 22192 B13R1.18 C/C=C/CN(C)c1cccc(c1)F 269982a_100020633736_100102629194 [0,3,0,0,0,0|1,0,0]=4 22193 B13R1.18 C/C=C/CN(C)c1cccc(c1)F 34a_100020633736_100102629194 [0,3,0,0,0,0|1,0,0]=4 22194 B13R1.18 C/C=C/CN(C)c1cccc(c1)I 269982a_100000221217_100102629194 [0,3,0,0,0,0|1,0,0]=4 22195 B13R1.18 C/C=C/CN(C)c1cccc(c1)I 34a_100000221217_100102629194 [0,3,0,0,0,0|1,0,0]=4 22196 B13R1.18 C/C=C/CN(C)c1cccc(c1)O 269982a_100000756613_100102629194 [0,3,0,0,0,0|1,0,0]=4 22197 B13R1.18 C/C=C/CN(C)c1cccc(c1)O 34a_100000756613_100102629194 [0,3,0,0,0,0|1,0,0]=4 22198 B13R1.18 C=CCCC(=O)c1cccc(c1)Br 1458a_100000210664_100000754431 [0,3,0,0,0,0|1,0,0]=4 22199 B13R1.18 C=CCCC(=O)c1cccc(c1)C 1458a_100000189346_100000754431 [0,3,0,0,0,0|1,0,0]=4 22200 B13R1.18 C=CCCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000754431 [0,3,0,0,0,0|1,0,0]=4 22201 B13R1.18 C=CCCC(=O)c1cccc(c1)F 1458a_100000210950_100000754431 [0,3,0,0,0,0|1,0,0]=4 22202 B13R1.18 C=CCCC(=O)c1cccc(c1)I 1458a_100000184098_100000754431 [0,3,0,0,0,0|1,0,0]=4 22203 B13R1.18 C=CCCC(=O)c1cccc(c1)O 1458a_100000183914_100000754431 [0,3,0,0,0,0|1,0,0]=4 22204 B13R1.18 C=CCCN(C)c1cccc(c1)Br 2230a_100000219648_100000754431 [0,3,0,0,0,0|1,0,0]=4 22205 B13R1.18 C=CCCN(C)c1cccc(c1)Br 269982a_100000219648_100000754431 [0,3,0,0,0,0|1,0,0]=4 22206 B13R1.18 C=CCCN(C)c1cccc(c1)Br 34a_100000219648_100000754431 [0,3,0,0,0,0|1,0,0]=4 22207 B13R1.18 C=CCCN(C)c1cccc(c1)C 2230a_100000219674_100000754431 [0,3,0,0,0,0|1,0,0]=4 22208 B13R1.18 C=CCCN(C)c1cccc(c1)C 269982a_100000219674_100000754431 [0,3,0,0,0,0|1,0,0]=4 22209 B13R1.18 C=CCCN(C)c1cccc(c1)C 34a_100000219674_100000754431 [0,3,0,0,0,0|1,0,0]=4 22210 B13R1.18 C=CCCN(C)c1cccc(c1)Cl 2230a_100000220044_100000754431 [0,3,0,0,0,0|1,0,0]=4 22211 B13R1.18 C=CCCN(C)c1cccc(c1)Cl 269982a_100000220044_100000754431 [0,3,0,0,0,0|1,0,0]=4 22212 B13R1.18 C=CCCN(C)c1cccc(c1)Cl 34a_100000220044_100000754431 [0,3,0,0,0,0|1,0,0]=4 22213 B13R1.18 C=CCCN(C)c1cccc(c1)F 2230a_100020633736_100000754431 [0,3,0,0,0,0|1,0,0]=4 22214 B13R1.18 C=CCCN(C)c1cccc(c1)F 269982a_100020633736_100000754431 [0,3,0,0,0,0|1,0,0]=4 22215 B13R1.18 C=CCCN(C)c1cccc(c1)F 34a_100020633736_100000754431 [0,3,0,0,0,0|1,0,0]=4 22216 B13R1.18 C=CCCN(C)c1cccc(c1)I 2230a_100000221217_100000754431 [0,3,0,0,0,0|1,0,0]=4 22217 B13R1.18 C=CCCN(C)c1cccc(c1)I 269982a_100000221217_100000754431 [0,3,0,0,0,0|1,0,0]=4 22218 B13R1.18 C=CCCN(C)c1cccc(c1)I 34a_100000221217_100000754431 [0,3,0,0,0,0|1,0,0]=4 22219 B13R1.18 C=CCCN(C)c1cccc(c1)O 2230a_100000756613_100000754431 [0,3,0,0,0,0|1,0,0]=4 22220 B13R1.18 C=CCCN(C)c1cccc(c1)O 269982a_100000756613_100000754431 [0,3,0,0,0,0|1,0,0]=4 22221 B13R1.18 C=CCCN(C)c1cccc(c1)O 34a_100000756613_100000754431 [0,3,0,0,0,0|1,0,0]=4 22222 B13R1.18 C=CCNC(=O)c1cccc(c1)Br 1626a_100020586998_100000210664 [0,3,0,0,0,0|1,0,0]=4 22223 B13R1.18 C=CCNC(=O)c1cccc(c1)Br 240690a_100020586998_100000210664 [0,3,0,0,0,0|1,0,0]=4 22224 B13R1.18 C=CCNC(=O)c1cccc(c1)Br 527a_100020586998_100000210664 [0,3,0,0,0,0|1,0,0]=4 22225 B13R1.18 C=CCNC(=O)c1cccc(c1)C 1626a_100020586998_100000189346 [0,3,0,0,0,0|1,0,0]=4 22226 B13R1.18 C=CCNC(=O)c1cccc(c1)C 240690a_100020586998_100000189346 [0,3,0,0,0,0|1,0,0]=4 22227 B13R1.18 C=CCNC(=O)c1cccc(c1)C 527a_100020586998_100000189346 [0,3,0,0,0,0|1,0,0]=4 22228 B13R1.18 C=CCNC(=O)c1cccc(c1)Cl 1626a_100020586998_100000210390 [0,3,0,0,0,0|1,0,0]=4 22229 B13R1.18 C=CCNC(=O)c1cccc(c1)Cl 240690a_100020586998_100000210390 [0,3,0,0,0,0|1,0,0]=4 22230 B13R1.18 C=CCNC(=O)c1cccc(c1)Cl 527a_100020586998_100000210390 [0,3,0,0,0,0|1,0,0]=4 22231 B13R1.18 C=CCNC(=O)c1cccc(c1)F 1626a_100020586998_100000210950 [0,3,0,0,0,0|1,0,0]=4 22232 B13R1.18 C=CCNC(=O)c1cccc(c1)F 240690a_100020586998_100000210950 [0,3,0,0,0,0|1,0,0]=4 22233 B13R1.18 C=CCNC(=O)c1cccc(c1)F 527a_100020586998_100000210950 [0,3,0,0,0,0|1,0,0]=4 22234 B13R1.18 C=CCNC(=O)c1cccc(c1)I 1626a_100020586998_100000184098 [0,3,0,0,0,0|1,0,0]=4 22235 B13R1.18 C=CCNC(=O)c1cccc(c1)I 240690a_100020586998_100000184098 [0,3,0,0,0,0|1,0,0]=4 22236 B13R1.18 C=CCNC(=O)c1cccc(c1)I 527a_100020586998_100000184098 [0,3,0,0,0,0|1,0,0]=4 22237 B13R1.18 C=CCNC(=O)c1cccc(c1)O 240690a_100020586998_100000183914 [0,3,0,0,0,0|1,0,0]=4 22238 B13R1.18 C=CCNC(=O)c1cccc(c1)O 527a_100020586998_100000183914 [0,3,0,0,0,0|1,0,0]=4 22239 B13R1.18 C=CCNC(C)c1cccc(c1)Br 2230a_100020642005_100000210623 [0,3,0,0,0,0|1,0,0]=4 22240 B13R1.18 C=CCNC(C)c1cccc(c1)Cl 2230a_100102723534_100000210623 [0,3,0,0,0,0|1,0,0]=4 22241 B13R1.18 C=CCNC(C)c1cccc(c1)Cl 34a_100102723534_100015514636 [0,3,0,0,0,0|1,0,0]=4 22242 B13R1.18 C=CCNC(C)c1cccc(c1)O 2230a_100000740644_100000210623 [0,3,0,0,0,0|1,0,0]=4 22243 B13R1.18 C=CCN[C@H](C)c1cccc(c1)C 2230a_100000698126_100000210623 [0,3,0,0,0,0|1,0,0]=4 22244 B13R1.18 C=CCN[C@H](C)c1cccc(c1)C 34a_100000698126_100015514636 [0,3,0,0,0,0|1,0,0]=4 22245 B13R1.18 C=CCN[C@H](C)c1cccc(c1)F 2230a_100015193778_100000210623 [0,3,0,0,0,0|1,0,0]=4 22246 B13R1.18 C=CCN[C@H](C)c1cccc(c1)F 34a_100015193778_100015514636 [0,3,0,0,0,0|1,0,0]=4 22247 B13R1.18 C=CCOC(C)c1cc(ccn1)Cl 7a_100000144657_100015514636 [0,3,0,0,0,0|1,0,0]=4 22248 B13R1.18 C=CCOC(C)c1cccc(c1)Br 34a_100000246457_100015514636 [0,3,0,0,0,0|0,0,0]=3 22249 B13R1.18 C=CCOC(C)c1cccc(c1)Br 7a_100000246457_100015514636 [0,3,0,0,0,0|0,0,0]=3 22250 B13R1.18 C=CCOC(C)c1cccc(c1)C 34a_100000757818_100015514636 [0,3,0,0,0,0|0,0,0]=3 22251 B13R1.18 C=CCOC(C)c1cccc(c1)C 7a_100000757818_100015514636 [0,3,0,0,0,0|0,0,0]=3 22252 B13R1.18 C=CCOC(C)c1cccc(c1)F 34a_100000744526_100015514636 [0,3,0,0,0,0|0,0,0]=3 22253 B13R1.18 C=CCOC(C)c1cccc(c1)F 7a_100000744526_100015514636 [0,3,0,0,0,0|0,0,0]=3 22254 B13R1.18 C=CCOC(C)c1cccc(c1)I 34a_100013085317_100015514636 [0,3,0,0,0,0|0,0,0]=3 22255 B13R1.18 C=CCOC(C)c1cccc(c1)I 7a_100013085317_100015514636 [0,3,0,0,0,0|0,0,0]=3 22256 B13R1.18 C=CCOC(C)c1cccc(c1)N 34a_100011217120_100015514636 [0,3,0,0,0,0|0,0,0]=3 22257 B13R1.18 C=CCOC(C)c1cccc(c1)N 7a_100011217120_100015514636 [0,3,0,0,0,0|0,0,0]=3 22258 B13R1.18 C=CCOC(C)c1cccc(n1)Br 7a_100009820884_100015514636 [0,3,0,0,0,0|1,0,0]=4 22259 B13R1.18 C=CCOC(C)c1cccc(n1)C 34a_200011877368_100015514636 [0,3,0,0,0,0|1,0,0]=4 22260 B13R1.18 C=CCOC(C)c1cccc(n1)C 7a_200011877368_100015514636 [0,3,0,0,0,0|1,0,0]=4 22261 B13R1.18 C=CCOC(C)c1cncc(c1)Br 34a_100012351597_100015514636 [0,3,0,0,0,0|1,0,0]=4 22262 B13R1.18 C=CCOC(C)c1cncc(c1)Br 7a_100012351597_100015514636 [0,3,0,0,0,0|1,0,0]=4 22263 B13R1.18 C=CCO[C@H](C)c1cccc(c1)Cl 34a_100000747380_100015514636 [0,3,0,0,0,0|0,0,0]=3 22264 B13R1.18 C=CCO[C@H](C)c1cccc(c1)Cl 7a_100000747380_100015514636 [0,3,0,0,0,0|0,0,0]=3 22265 B13R1.18 CC(OCC=O)c1cccc(c1)Br 34a_100000246457_200009817547 [0,3,0,0,0,0|1,0,0]=4 22266 B13R1.18 CC(OCC=O)c1cccc(c1)Br 7a_100000246457_200015260668 [0,3,0,0,0,0|1,0,0]=4 22267 B13R1.18 CC(OCC=O)c1cccc(c1)F 34a_100000744526_200009817547 [0,3,0,0,0,0|1,0,0]=4 22268 B13R1.18 CC(OCC=O)c1cccc(c1)F 7a_100000744526_200015260668 [0,3,0,0,0,0|1,0,0]=4 22269 B13R1.18 CC(OCC=O)c1cccc(c1)I 34a_100013085317_200009817547 [0,3,0,0,0,0|1,0,0]=4 22270 B13R1.18 CC(OCC=O)c1cccc(c1)I 7a_100013085317_200015260668 [0,3,0,0,0,0|1,0,0]=4 22271 B13R1.18 CC(OCC=O)c1cccc(c1)N 34a_100011217120_200009817547 [0,3,0,0,0,0|1,0,0]=4 22272 B13R1.18 CC(OCC=O)c1cccc(c1)N 7a_100011217120_200015260668 [0,3,0,0,0,0|1,0,0]=4 22273 B13R1.18 CC=CCC(=O)c1cccc(c1)Br 1458a_100000210664_100000070051 [0,3,0,0,0,0|1,0,0]=4 22274 B13R1.18 CC=CCC(=O)c1cccc(c1)C 1458a_100000189346_100000070051 [0,3,0,0,0,0|1,0,0]=4 22275 B13R1.18 CC=CCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000070051 [0,3,0,0,0,0|1,0,0]=4 22276 B13R1.18 CC=CCC(=O)c1cccc(c1)F 1458a_100000210950_100000070051 [0,3,0,0,0,0|1,0,0]=4 22277 B13R1.18 CC=CCC(=O)c1cccc(c1)I 1458a_100000184098_100000070051 [0,3,0,0,0,0|1,0,0]=4 22278 B13R1.18 CC=CCC(=O)c1cccc(c1)O 1458a_100000183914_100000070051 [0,3,0,0,0,0|1,0,0]=4 22279 B13R1.18 CC=CCN(C)c1cccc(c1)Br 2230a_100000219648_100000070051 [0,3,0,0,0,0|1,0,0]=4 22280 B13R1.18 CC=CCN(C)c1cccc(c1)Br 34a_100000219648_100000070051 [0,3,0,0,0,0|1,0,0]=4 22281 B13R1.18 CC=CCN(C)c1cccc(c1)C 2230a_100000219674_100000070051 [0,3,0,0,0,0|1,0,0]=4 22282 B13R1.18 CC=CCN(C)c1cccc(c1)C 34a_100000219674_100000070051 [0,3,0,0,0,0|1,0,0]=4 22283 B13R1.18 CC=CCN(C)c1cccc(c1)Cl 2230a_100000220044_100000070051 [0,3,0,0,0,0|1,0,0]=4 22284 B13R1.18 CC=CCN(C)c1cccc(c1)Cl 34a_100000220044_100000070051 [0,3,0,0,0,0|1,0,0]=4 22285 B13R1.18 CC=CCN(C)c1cccc(c1)F 2230a_100020633736_100000070051 [0,3,0,0,0,0|1,0,0]=4 22286 B13R1.18 CC=CCN(C)c1cccc(c1)F 34a_100020633736_100000070051 [0,3,0,0,0,0|1,0,0]=4 22287 B13R1.18 CC=CCN(C)c1cccc(c1)I 2230a_100000221217_100000070051 [0,3,0,0,0,0|1,0,0]=4 22288 B13R1.18 CC=CCN(C)c1cccc(c1)I 34a_100000221217_100000070051 [0,3,0,0,0,0|1,0,0]=4 22289 B13R1.18 CC=CCN(C)c1cccc(c1)O 2230a_100000756613_100000070051 [0,3,0,0,0,0|1,0,0]=4 22290 B13R1.18 CC=CCN(C)c1cccc(c1)O 34a_100000756613_100000070051 [0,3,0,0,0,0|1,0,0]=4 22291 B13R1.18 C[C@@H](OCC=O)c1cccc(c1)Cl 34a_100000747380_200009817547 [0,3,0,0,0,0|1,0,0]=4 22292 B13R1.18 C[C@@H](OCC=O)c1cccc(c1)Cl 7a_100000747380_200015260668 [0,3,0,0,0,0|1,0,0]=4 22293 B13R1.18 Cc1cccc(c1)C(C)OCC=O 34a_100000757818_200009817547 [0,3,0,0,0,0|1,0,0]=4 22294 B13R1.18 Cc1cccc(c1)C(C)OCC=O 7a_100000757818_200015260668 [0,3,0,0,0,0|1,0,0]=4 22295 B13R1.22 C=CC(C)N(C)c1cccc(c1)Br 269982a_100000219648_100011215867 [0,3,0,0,0,0|1,0,0]=4 22296 B13R1.22 C=CC(C)N(C)c1cccc(c1)C 269982a_100000219674_100011215867 [0,3,0,0,0,0|1,0,0]=4 22297 B13R1.22 C=CC(C)N(C)c1cccc(c1)Cl 269982a_100000220044_100011215867 [0,3,0,0,0,0|1,0,0]=4 22298 B13R1.22 C=CC(C)N(C)c1cccc(c1)F 269982a_100020633736_100011215867 [0,3,0,0,0,0|1,0,0]=4 22299 B13R1.22 C=CC(C)N(C)c1cccc(c1)I 269982a_100000221217_100011215867 [0,3,0,0,0,0|1,0,0]=4 22300 B13R1.22 C=CC(C)N(C)c1cccc(c1)O 269982a_100000756613_100011215867 [0,3,0,0,0,0|1,0,0]=4 22301 B13R1.147 C=C(C)CC(=O)c1cccc(c1)Br 1458a_100000210664_100000748629 [0,3,0,0,0,0|1,0,0]=4 22302 B13R1.147 C=C(C)CC(=O)c1cccc(c1)C 1458a_100000189346_100000748629 [0,3,0,0,0,0|1,0,0]=4 22303 B13R1.147 C=C(C)CC(=O)c1cccc(c1)Cl 1458a_100000210390_100000748629 [0,3,0,0,0,0|1,0,0]=4 22304 B13R1.147 C=C(C)CC(=O)c1cccc(c1)F 1458a_100000210950_100000748629 [0,3,0,0,0,0|1,0,0]=4 22305 B13R1.147 C=C(C)CC(=O)c1cccc(c1)I 1458a_100000184098_100000748629 [0,3,0,0,0,0|1,0,0]=4 22306 B13R1.147 C=C(C)CC(=O)c1cccc(c1)O 1458a_100000183914_100000748629 [0,3,0,0,0,0|1,0,0]=4 22307 B13R1.147 C=C(C)CN(C)c1cccc(c1)Br 2230a_100000219648_100000748629 [0,3,0,0,0,0|1,0,0]=4 22308 B13R1.147 C=C(C)CN(C)c1cccc(c1)Br 269982a_100000219648_100000748629 [0,3,0,0,0,0|1,0,0]=4 22309 B13R1.147 C=C(C)CN(C)c1cccc(c1)Br 34a_100000219648_100000748629 [0,3,0,0,0,0|1,0,0]=4 22310 B13R1.147 C=C(C)CN(C)c1cccc(c1)C 2230a_100000219674_100000748629 [0,3,0,0,0,0|1,0,0]=4 22311 B13R1.147 C=C(C)CN(C)c1cccc(c1)C 269982a_100000219674_100000748629 [0,3,0,0,0,0|1,0,0]=4 22312 B13R1.147 C=C(C)CN(C)c1cccc(c1)C 34a_100000219674_100000748629 [0,3,0,0,0,0|1,0,0]=4 22313 B13R1.147 C=C(C)CN(C)c1cccc(c1)Cl 2230a_100000220044_100000748629 [0,3,0,0,0,0|1,0,0]=4 22314 B13R1.147 C=C(C)CN(C)c1cccc(c1)Cl 269982a_100000220044_100000748629 [0,3,0,0,0,0|1,0,0]=4 22315 B13R1.147 C=C(C)CN(C)c1cccc(c1)Cl 34a_100000220044_100000748629 [0,3,0,0,0,0|1,0,0]=4 22316 B13R1.147 C=C(C)CN(C)c1cccc(c1)F 2230a_100020633736_100000748629 [0,3,0,0,0,0|1,0,0]=4 22317 B13R1.147 C=C(C)CN(C)c1cccc(c1)F 269982a_100020633736_100000748629 [0,3,0,0,0,0|1,0,0]=4 22318 B13R1.147 C=C(C)CN(C)c1cccc(c1)F 34a_100020633736_100000748629 [0,3,0,0,0,0|1,0,0]=4 22319 B13R1.147 C=C(C)CN(C)c1cccc(c1)I 2230a_100000221217_100000748629 [0,3,0,0,0,0|1,0,0]=4 22320 B13R1.147 C=C(C)CN(C)c1cccc(c1)I 269982a_100000221217_100000748629 [0,3,0,0,0,0|1,0,0]=4 22321 B13R1.147 C=C(C)CN(C)c1cccc(c1)I 34a_100000221217_100000748629 [0,3,0,0,0,0|1,0,0]=4 22322 B13R1.147 C=C(C)CN(C)c1cccc(c1)O 2230a_100000756613_100000748629 [0,3,0,0,0,0|1,0,0]=4 22323 B13R1.147 C=C(C)CN(C)c1cccc(c1)O 269982a_100000756613_100000748629 [0,3,0,0,0,0|1,0,0]=4 22324 B13R1.147 C=C(C)CN(C)c1cccc(c1)O 34a_100000756613_100000748629 [0,3,0,0,0,0|1,0,0]=4 22325 B13R1.147 C=C(F)CC(=O)c1cccc(c1)Br 1458a_100000210664_100009893438 [0,3,0,0,0,0|1,0,0]=4 22326 B13R1.147 C=C(F)CC(=O)c1cccc(c1)C 1458a_100000189346_100009893438 [0,3,0,0,0,0|1,0,0]=4 22327 B13R1.147 C=C(F)CC(=O)c1cccc(c1)Cl 1458a_100000210390_100009893438 [0,3,0,0,0,0|1,0,0]=4 22328 B13R1.147 C=C(F)CC(=O)c1cccc(c1)F 1458a_100000210950_100009893438 [0,3,0,0,0,0|1,0,0]=4 22329 B13R1.147 C=C(F)CC(=O)c1cccc(c1)I 1458a_100000184098_100009893438 [0,3,0,0,0,0|1,0,0]=4 22330 B13R1.147 C=C(F)CC(=O)c1cccc(c1)O 1458a_100000183914_100009893438 [0,3,0,0,0,0|1,0,0]=4 22331 B13R1.147 C=C(F)CN(C)c1cccc(c1)Br 2230a_100000219648_100009893438 [0,3,0,0,0,0|1,0,0]=4 22332 B13R1.147 C=C(F)CN(C)c1cccc(c1)Br 269982a_100000219648_100009893438 [0,3,0,0,0,0|1,0,0]=4 22333 B13R1.147 C=C(F)CN(C)c1cccc(c1)Br 34a_100000219648_100009893438 [0,3,0,0,0,0|1,0,0]=4 22334 B13R1.147 C=C(F)CN(C)c1cccc(c1)C 2230a_100000219674_100009893438 [0,3,0,0,0,0|1,0,0]=4 22335 B13R1.147 C=C(F)CN(C)c1cccc(c1)C 269982a_100000219674_100009893438 [0,3,0,0,0,0|1,0,0]=4 22336 B13R1.147 C=C(F)CN(C)c1cccc(c1)C 34a_100000219674_100009893438 [0,3,0,0,0,0|1,0,0]=4 22337 B13R1.147 C=C(F)CN(C)c1cccc(c1)Cl 2230a_100000220044_100009893438 [0,3,0,0,0,0|1,0,0]=4 22338 B13R1.147 C=C(F)CN(C)c1cccc(c1)Cl 269982a_100000220044_100009893438 [0,3,0,0,0,0|1,0,0]=4 22339 B13R1.147 C=C(F)CN(C)c1cccc(c1)Cl 34a_100000220044_100009893438 [0,3,0,0,0,0|1,0,0]=4 22340 B13R1.147 C=C(F)CN(C)c1cccc(c1)F 2230a_100020633736_100009893438 [0,3,0,0,0,0|1,0,0]=4 22341 B13R1.147 C=C(F)CN(C)c1cccc(c1)F 269982a_100020633736_100009893438 [0,3,0,0,0,0|1,0,0]=4 22342 B13R1.147 C=C(F)CN(C)c1cccc(c1)F 34a_100020633736_100009893438 [0,3,0,0,0,0|1,0,0]=4 22343 B13R1.147 C=C(F)CN(C)c1cccc(c1)I 2230a_100000221217_100009893438 [0,3,0,0,0,0|1,0,0]=4 22344 B13R1.147 C=C(F)CN(C)c1cccc(c1)I 269982a_100000221217_100009893438 [0,3,0,0,0,0|1,0,0]=4 22345 B13R1.147 C=C(F)CN(C)c1cccc(c1)I 34a_100000221217_100009893438 [0,3,0,0,0,0|1,0,0]=4 22346 B13R1.147 C=C(F)CN(C)c1cccc(c1)O 2230a_100000756613_100009893438 [0,3,0,0,0,0|1,0,0]=4 22347 B13R1.147 C=C(F)CN(C)c1cccc(c1)O 269982a_100000756613_100009893438 [0,3,0,0,0,0|1,0,0]=4 22348 B13R1.147 C=C(F)CN(C)c1cccc(c1)O 34a_100000756613_100009893438 [0,3,0,0,0,0|1,0,0]=4 22349 B13R1.446 C=CCC(=O)c1cc(ccc1Br)Br 1458a_100000690610_100000210623 [0,3,0,0,0,0|1,0,0]=4 22350 B13R1.446 C=CCC(=O)c1cc(ccc1Br)C 1458a_100000689033_100000210623 [0,3,0,0,0,0|1,0,0]=4 22351 B13R1.446 C=CCC(=O)c1cc(ccc1Br)Cl 1458a_100000736951_100000210623 [0,3,0,0,0,0|1,0,0]=4 22352 B13R1.446 C=CCC(=O)c1cc(ccc1Br)F 1458a_100000212315_100000210623 [0,3,0,0,0,0|1,0,0]=4 22353 B13R1.446 C=CCC(=O)c1cc(ccc1Br)I 1458a_100000698340_100000210623 [0,3,0,0,0,0|1,0,0]=4 22354 B13R1.446 C=CCC(=O)c1cc(ccc1Br)O 1458a_100012352043_100000210623 [0,3,0,0,0,0|1,0,0]=4 22355 B13R1.446 C=CCC(=O)c1cc(ccc1C)Br 1458a_100000759961_100000210623 [0,3,0,0,0,0|1,0,0]=4 22356 B13R1.446 C=CCC(=O)c1cc(ccc1C)C 1458a_100000195421_100000210623 [0,3,0,0,0,0|1,0,0]=4 22357 B13R1.446 C=CCC(=O)c1cc(ccc1C)Cl 1458a_100000692595_100000210623 [0,3,0,0,0,0|1,0,0]=4 22358 B13R1.446 C=CCC(=O)c1cc(ccc1C)F 1458a_100000240043_100000210623 [0,3,0,0,0,0|1,0,0]=4 22359 B13R1.446 C=CCC(=O)c1cc(ccc1C)I 1458a_100000688012_100000210623 [0,3,0,0,0,0|1,0,0]=4 22360 B13R1.446 C=CCC(=O)c1cc(ccc1C)O 1458a_100000687834_100000210623 [0,3,0,0,0,0|1,0,0]=4 22361 B13R1.446 C=CCC(=O)c1cc(ccc1Cl)Br 1458a_100000211212_100000210623 [0,3,0,0,0,0|1,0,0]=4 22362 B13R1.446 C=CCC(=O)c1cc(ccc1Cl)C 1458a_100011290873_100000210623 [0,3,0,0,0,0|1,0,0]=4 22363 B13R1.446 C=CCC(=O)c1cc(ccc1Cl)Cl 1458a_100000210642_100000210623 [0,3,0,0,0,0|1,0,0]=4 22364 B13R1.446 C=CCC(=O)c1cc(ccc1Cl)F 1458a_100011219680_100000210623 [0,3,0,0,0,0|1,0,0]=4 22365 B13R1.446 C=CCC(=O)c1cc(ccc1Cl)I 1458a_100000688013_100000210623 [0,3,0,0,0,0|1,0,0]=4 22366 B13R1.446 C=CCC(=O)c1cc(ccc1Cl)O 1458a_100000719527_100000210623 [0,3,0,0,0,0|1,0,0]=4 22367 B13R1.446 C=CCC(=O)c1cc(ccc1F)Br 1458a_100000212322_100000210623 [0,3,0,0,0,0|1,0,0]=4 22368 B13R1.446 C=CCC(=O)c1cc(ccc1F)C 1458a_100000749327_100000210623 [0,3,0,0,0,0|1,0,0]=4 22369 B13R1.446 C=CCC(=O)c1cc(ccc1F)Cl 1458a_100000214954_100000210623 [0,3,0,0,0,0|1,0,0]=4 22370 B13R1.446 C=CCC(=O)c1cc(ccc1F)F 1458a_100000198512_100000210623 [0,3,0,0,0,0|1,0,0]=4 22371 B13R1.446 C=CCC(=O)c1cc(ccc1F)I 1458a_100000688014_100000210623 [0,3,0,0,0,0|1,0,0]=4 22372 B13R1.446 C=CCC(=O)c1cc(ccc1F)O 1458a_100000037260_100000210623 [0,3,0,0,0,0|1,0,0]=4 22373 B13R1.446 C=CCC(=O)c1cc(ccc1I)Br 1458a_100000183945_100000210623 [0,3,0,0,0,0|1,0,0]=4 22374 B13R1.446 C=CCC(=O)c1cc(ccc1I)C 1458a_100000057929_100000210623 [0,3,0,0,0,0|1,0,0]=4 22375 B13R1.446 C=CCC(=O)c1cc(ccc1I)Cl 1458a_100000739379_100000210623 [0,3,0,0,0,0|1,0,0]=4 22376 B13R1.446 C=CCC(=O)c1cc(ccc1I)F 1458a_100000748905_100000210623 [0,3,0,0,0,0|1,0,0]=4 22377 B13R1.446 C=CCC(=O)c1cc(ccc1I)I 1458a_100000750460_100000210623 [0,3,0,0,0,0|1,0,0]=4 22378 B13R1.446 C=CCC(=O)c1cc(ccc1I)O 1458a_200009995701_100000210623 [0,3,0,0,0,0|1,0,0]=4 22379 B13R1.446 C=CCC(=O)c1cc(ccc1O)Br 1458a_100000212140_100000210623 [0,3,0,0,0,0|1,0,0]=4 22380 B13R1.446 C=CCC(=O)c1cc(ccc1O)C 1458a_100000229998_100000210623 [0,3,0,0,0,0|1,0,0]=4 22381 B13R1.446 C=CCC(=O)c1cc(ccc1O)Cl 1458a_100000212143_100000210623 [0,3,0,0,0,0|1,0,0]=4 22382 B13R1.446 C=CCC(=O)c1cc(ccc1O)F 1458a_100000742286_100000210623 [0,3,0,0,0,0|1,0,0]=4 22383 B13R1.446 C=CCC(=O)c1cc(ccc1O)I 1458a_100000212111_100000210623 [0,3,0,0,0,0|1,0,0]=4 22384 B13R1.446 C=CCC(=O)c1cc(ccc1O)O 1458a_100000758025_100000210623 [0,3,0,0,0,0|1,0,0]=4 22385 B13R1.446 C=CCN(C)c1cc(ccc1Br)Cl 269982a_100020633006_100000210623 [0,3,0,0,0,0|1,0,0]=4 22386 B13R1.446 C=CCN(C)c1cc(ccc1Br)Cl 34a_100020633006_100015514636 [0,3,0,0,0,0|1,0,0]=4 22387 B13R1.446 C=CCN(C)c1cc(ccc1Br)F 2230a_100020633008_100000210623 [0,3,0,0,0,0|1,0,0]=4 22388 B13R1.446 C=CCN(C)c1cc(ccc1Br)F 269982a_100020633008_100000210623 [0,3,0,0,0,0|1,0,0]=4 22389 B13R1.446 C=CCN(C)c1cc(ccc1Br)F 34a_100020633008_100015514636 [0,3,0,0,0,0|1,0,0]=4 22390 B13R1.446 C=CCN(C)c1cc(ccc1C)Br 2230a_100020629602_100000210623 [0,3,0,0,0,0|1,0,0]=4 22391 B13R1.446 C=CCN(C)c1cc(ccc1C)Br 269982a_100020629602_100000210623 [0,3,0,0,0,0|1,0,0]=4 22392 B13R1.446 C=CCN(C)c1cc(ccc1C)Br 34a_100020629602_100015514636 [0,3,0,0,0,0|1,0,0]=4 22393 B13R1.446 C=CCN(C)c1cc(ccc1C)Br 38a_100020629602_100000210623 [0,3,0,0,0,0|1,0,0]=4 22394 B13R1.446 C=CCN(C)c1cc(ccc1C)Cl 2230a_100000221440_100000210623 [0,3,0,0,0,0|1,0,0]=4 22395 B13R1.446 C=CCN(C)c1cc(ccc1C)Cl 269982a_100000221440_100000210623 [0,3,0,0,0,0|1,0,0]=4 22396 B13R1.446 C=CCN(C)c1cc(ccc1C)Cl 34a_100000221440_100015514636 [0,3,0,0,0,0|1,0,0]=4 22397 B13R1.446 C=CCN(C)c1cc(ccc1C)Cl 38a_100000221440_100000210623 [0,3,0,0,0,0|1,0,0]=4 22398 B13R1.446 C=CCN(C)c1cc(ccc1C)F 2230a_114849113390_100000210623 [0,3,0,0,0,0|1,0,0]=4 22399 B13R1.446 C=CCN(C)c1cc(ccc1C)F 269982a_114849113390_100000210623 [0,3,0,0,0,0|1,0,0]=4 22400 B13R1.446 C=CCN(C)c1cc(ccc1C)F 34a_114849113390_100015514636 [0,3,0,0,0,0|1,0,0]=4 22401 B13R1.446 C=CCN(C)c1cc(ccc1C)F 38a_114849113390_100000210623 [0,3,0,0,0,0|1,0,0]=4 22402 B13R1.446 C=CCN(C)c1cc(ccc1Cl)Br 269982a_100011772073_100000210623 [0,3,0,0,0,0|1,0,0]=4 22403 B13R1.446 C=CCN(C)c1cc(ccc1Cl)Br 34a_100011772073_100015514636 [0,3,0,0,0,0|1,0,0]=4 22404 B13R1.446 C=CCN(C)c1cc(ccc1Cl)Cl 269982a_100000742562_100000210623 [0,3,0,0,0,0|1,0,0]=4 22405 B13R1.446 C=CCN(C)c1cc(ccc1Cl)Cl 34a_100000742562_100015514636 [0,3,0,0,0,0|1,0,0]=4 22406 B13R1.446 C=CCN(C)c1cc(ccc1F)Br 2230a_100011314990_100000210623 [0,3,0,0,0,0|1,0,0]=4 22407 B13R1.446 C=CCN(C)c1cc(ccc1F)Br 269982a_100011314990_100000210623 [0,3,0,0,0,0|1,0,0]=4 22408 B13R1.446 C=CCN(C)c1cc(ccc1F)Br 34a_100011314990_100015514636 [0,3,0,0,0,0|1,0,0]=4 22409 B13R1.446 C=CCN(C)c1cc(ccc1F)Br 38a_100011314990_100000210623 [0,3,0,0,0,0|1,0,0]=4 22410 B13R1.450 C=CCC(=O)c1cc(cc(c1)Br)Br 1458a_100000687083_100000210623 [0,3,0,0,0,0|1,0,0]=4 22411 B13R1.450 C=CCC(=O)c1cc(cc(c1)Br)C 1458a_100000760426_100000210623 [0,3,0,0,0,0|1,0,0]=4 22412 B13R1.450 C=CCC(=O)c1cc(cc(c1)Br)Cl 1458a_100000687899_100000210623 [0,3,0,0,0,0|1,0,0]=4 22413 B13R1.450 C=CCC(=O)c1cc(cc(c1)Br)F 1458a_100000739618_100000210623 [0,3,0,0,0,0|1,0,0]=4 22414 B13R1.450 C=CCC(=O)c1cc(cc(c1)Br)O 1458a_100011934545_100000210623 [0,3,0,0,0,0|1,0,0]=4 22415 B13R1.450 C=CCC(=O)c1cc(cc(c1)C)C 1458a_100000210874_100000210623 [0,3,0,0,0,0|1,0,0]=4 22416 B13R1.450 C=CCC(=O)c1cc(cc(c1)Cl)C 1458a_100000684526_100000210623 [0,3,0,0,0,0|1,0,0]=4 22417 B13R1.450 C=CCC(=O)c1cc(cc(c1)Cl)Cl 1458a_100000210701_100000210623 [0,3,0,0,0,0|1,0,0]=4 22418 B13R1.450 C=CCC(=O)c1cc(cc(c1)Cl)F 1458a_100000685768_100000210623 [0,3,0,0,0,0|1,0,0]=4 22419 B13R1.450 C=CCC(=O)c1cc(cc(c1)Cl)O 1458a_100011997059_100000210623 [0,3,0,0,0,0|1,0,0]=4 22420 B13R1.450 C=CCC(=O)c1cc(cc(c1)F)C 1458a_100000763163_100000210623 [0,3,0,0,0,0|1,0,0]=4 22421 B13R1.450 C=CCC(=O)c1cc(cc(c1)F)F 1458a_100000211655_100000210623 [0,3,0,0,0,0|1,0,0]=4 22422 B13R1.450 C=CCC(=O)c1cc(cc(c1)F)O 1458a_100012017291_100000210623 [0,3,0,0,0,0|1,0,0]=4 22423 B13R1.450 C=CCC(=O)c1cc(cc(c1)I)Br 1458a_100000689235_100000210623 [0,3,0,0,0,0|1,0,0]=4 22424 B13R1.450 C=CCC(=O)c1cc(cc(c1)I)C 1458a_100000729426_100000210623 [0,3,0,0,0,0|1,0,0]=4 22425 B13R1.450 C=CCC(=O)c1cc(cc(c1)I)Cl 1458a_100012047205_100000210623 [0,3,0,0,0,0|1,0,0]=4 22426 B13R1.450 C=CCC(=O)c1cc(cc(c1)I)F 1458a_100012047268_100000210623 [0,3,0,0,0,0|1,0,0]=4 22427 B13R1.450 C=CCC(=O)c1cc(cc(c1)I)I 1458a_100011204819_100000210623 [0,3,0,0,0,0|1,0,0]=4 22428 B13R1.450 C=CCC(=O)c1cc(cc(c1)O)C 1458a_100000094094_100000210623 [0,3,0,0,0,0|1,0,0]=4 22429 B13R1.450 C=CCN(C)c1cc(cc(c1)Br)F 269982a_106741647397_100000210623 [0,3,0,0,0,0|1,0,0]=4 22430 B13R1.450 C=CCN(C)c1cc(cc(c1)Br)F 34a_106741647397_100015514636 [0,3,0,0,0,0|1,0,0]=4 22431 B13R1.450 C=CCN(C)c1cc(cc(c1)Br)F 7a_106741647397_100015514636 [0,3,0,0,0,0|1,0,0]=4 22432 B13R1.450 C=CCN(C)c1cc(cc(c1)Cl)Cl 2230a_100000220458_100000210623 [0,3,0,0,0,0|1,0,0]=4 22433 B13R1.450 C=CCN(C)c1cc(cc(c1)Cl)Cl 269982a_100000220458_100000210623 [0,3,0,0,0,0|1,0,0]=4 22434 B13R1.450 C=CCN(C)c1cc(cc(c1)Cl)Cl 34a_100000220458_100015514636 [0,3,0,0,0,0|1,0,0]=4 22435 B13R1.450 C=CCN(C)c1cc(cc(c1)Cl)Cl 7a_100000220458_100015514636 [0,3,0,0,0,0|1,0,0]=4 22436 B13R1.450 C=CCN(C)c1cc(cc(c1)F)C 2230a_103496528823_100000210623 [0,3,0,0,0,0|1,0,0]=4 22437 B13R1.450 C=CCN(C)c1cc(cc(c1)F)C 269982a_103496528823_100000210623 [0,3,0,0,0,0|1,0,0]=4 22438 B13R1.450 C=CCN(C)c1cc(cc(c1)F)C 34a_103496528823_100015514636 [0,3,0,0,0,0|1,0,0]=4 22439 B13R1.450 C=CCN(C)c1cc(cc(c1)F)C 38a_103496528823_100000210623 [0,3,0,0,0,0|1,0,0]=4 22440 B13R1.450 C=CCN(C)c1cc(cc(c1)F)C 7a_103496528823_100015514636 [0,3,0,0,0,0|1,0,0]=4 22441 B13R1.450 C=CCN(C)c1cc(cc(c1)F)F 2230a_100011233154_100000210623 [0,3,0,0,0,0|1,0,0]=4 22442 B13R1.450 C=CCN(C)c1cc(cc(c1)F)F 269982a_100011233154_100000210623 [0,3,0,0,0,0|1,0,0]=4 22443 B13R1.450 C=CCN(C)c1cc(cc(c1)F)F 34a_100011233154_100015514636 [0,3,0,0,0,0|1,0,0]=4 22444 B13R1.450 C=CCN(C)c1cc(cc(c1)F)F 7a_100011233154_100015514636 [0,3,0,0,0,0|1,0,0]=4 22445 B13R1.460 C#Cc1cccc(c1)C(=O)CC=C 1458a_100011997762_100000210623 [0,3,0,0,0,0|1,0,0]=4 22446 B13R1.460 C=CCC(=O)c1cccc(c1)C#N 1458a_100000183950_100000210623 [0,3,0,0,0,0|1,0,0]=4 22447 B13R1.460 C=CCC(=O)c1cccc(c1)C=C 1458a_100011215009_100000210623 [0,3,0,0,0,0|1,0,0]=4 22448 B13R1.460 C=CCC(=O)c1cccc(c1)CC 1458a_100011933908_100000210623 [0,3,0,0,0,0|1,0,0]=4 22449 B13R1.460 C=CCC(=O)c1cccc(c1)CO 1458a_100000746274_100000210623 [0,3,0,0,0,0|1,0,0]=4 22450 B13R1.460 C=CCC(=O)c1cccc(c1)OC 1458a_100000188888_100000210623 [0,3,0,0,0,0|1,0,0]=4 22451 B13R1.460 C=CCC(=O)c1cccc(c1)SC 1458a_100011217804_100000210623 [0,3,0,0,0,0|1,0,0]=4 22452 B13R1.460 C=CCN(C)c1cccc(c1)C#N 2230a_100000221292_100000210623 [0,3,0,0,0,0|1,0,0]=4 22453 B13R1.460 C=CCN(C)c1cccc(c1)C#N 269982a_100000221292_100000210623 [0,3,0,0,0,0|1,0,0]=4 22454 B13R1.460 C=CCN(C)c1cccc(c1)C#N 34a_100000221292_100015514636 [0,3,0,0,0,0|1,0,0]=4 22455 B13R1.460 C=CCN(C)c1cccc(c1)C#N 7a_100000221292_100015514636 [0,3,0,0,0,0|1,0,0]=4 22456 B13R1.460 C=CCN(C)c1cccc(c1)OC 2230a_100000219725_100000210623 [0,3,0,0,0,0|1,0,0]=4 22457 B13R1.460 C=CCN(C)c1cccc(c1)OC 269982a_100000219725_100000210623 [0,3,0,0,0,0|1,0,0]=4 22458 B13R1.460 C=CCN(C)c1cccc(c1)OC 34a_100000219725_100015514636 [0,3,0,0,0,0|1,0,0]=4 22459 B13R1.460 C=CCN(C)c1cccc(c1)SC 2230a_100020672454_100000210623 [0,3,0,0,0,0|1,0,0]=4 22460 B13R1.460 C=CCN(C)c1cccc(c1)SC 269982a_100020672454_100000210623 [0,3,0,0,0,0|1,0,0]=4 22461 B13R1.460 C=CCN(C)c1cccc(c1)SC 34a_100020672454_100015514636 [0,3,0,0,0,0|1,0,0]=4 22462 B13R1.11 C=C(C#N)CC(=O)c1ccccc1 1458a_100000185807_100000694840 [0,3,0,0,0,0|1,0,0]=4 22463 B13R1.11 C=C(C#N)CN(C)c1ccccc1 2230a_100000210012_100000694840 [0,3,0,0,0,0|1,0,0]=4 22464 B13R1.11 C=C(C#N)CN(C)c1ccccc1 269982a_100000210012_100000694840 [0,3,0,0,0,0|1,0,0]=4 22465 B13R1.11 C=C(C#N)CN(C)c1ccccc1 34a_100000210012_100000694840 [0,3,0,0,0,0|1,0,0]=4 22466 B13R1.11 C=CC(=O)CC(=O)c1ccccc1 1458a_100000185746_100000211460 [0,3,0,0,0,0|1,0,0]=4 22467 B13R1.11 C=CC(=O)CC(C)c1ccccc1 1458a_100000185746_100000756946 [0,3,0,0,0,0|1,0,0]=4 22468 B13R1.11 C=CC(=O)CC(O)c1ccccc1 1458a_100000185746_100000185958 [0,3,0,0,0,0|1,0,0]=4 22469 B13R1.11 C=CC(=O)C[C@@H](O)c1ccccc1 1458a_100000185746_100011933945 [0,3,0,0,0,0|1,0,0]=4 22470 B13R1.11 C=CC(C)OC(C)c1ccccc1 34a_100000695699_100000211855 [0,3,0,0,0,0|0,0,0]=3 22471 B13R1.11 C=CC(C)SC(C)c1ccccc1 62a_100011215867_100000230085 [0,3,0,0,0,0|0,1,0]=4 22472 B13R1.11 C=CC(O)CN(C)c1ccccc1 2230a_100000210012_100000730141 [0,3,0,0,0,0|1,0,0]=4 22473 B13R1.11 C=CC(O)CN(C)c1ccccc1 34a_100000210012_100000730141 [0,3,0,0,0,0|1,0,0]=4 22474 B13R1.24 C/C=C/COC(C)c1ccccc1 34a_100016270725_100000211855 [0,3,0,0,0,0|0,0,0]=3 22475 B13R1.24 C/C=C/CO[C@H](C)c1ccccc1 34a_100000761318_100102629194 [0,3,0,0,0,0|0,0,0]=3 22476 B13R1.24 C/C=C/CO[C@H](C)c1ccccc1 7a_100000761318_100102629194 [0,3,0,0,0,0|0,0,0]=3 22477 B13R1.24 C/C=C/CSC(C)c1ccccc1 62a_100000230085_100102629194 [0,3,0,0,0,0|0,1,0]=4 22478 B13R1.24 C/C=C/CSC(C)c1ccccc1 62a_100102629194_100000230085 [0,3,0,0,0,0|0,1,0]=4 22479 B13R1.24 C=CCCCC(=O)c1ccccc1 1458a_100000185807_100000757094 [0,3,0,0,0,0|1,0,0]=4 22480 B13R1.24 C=CCCCN(C)c1ccccc1 2230a_100000210012_100011713584 [0,3,0,0,0,0|1,0,0]=4 22481 B13R1.24 C=CCCCN(C)c1ccccc1 269982a_100000210012_100000757094 [0,3,0,0,0,0|1,0,0]=4 22482 B13R1.24 C=CCCCN(C)c1ccccc1 34a_100000210012_100000757094 [0,3,0,0,0,0|1,0,0]=4 22483 B13R1.24 C=CCCNC(=O)c1ccccc1 11a_100015191253_100000185807 [0,3,0,0,0,0|1,0,0]=4 22484 B13R1.24 C=CCCNC(=O)c1ccccc1 1626a_100015191253_100000185807 [0,3,0,0,0,0|1,0,0]=4 22485 B13R1.24 C=CCCNC(=O)c1ccccc1 240690a_100015191253_100000185807 [0,3,0,0,0,0|1,0,0]=4 22486 B13R1.24 C=CCCNC(=O)c1ccccc1 527a_100015191253_100000185807 [0,3,0,0,0,0|1,0,0]=4 22487 B13R1.24 C=CCCNC(C)c1ccccc1 2230a_100015191253_100000230085 [0,3,0,0,0,0|1,0,0]=4 22488 B13R1.24 C=CCCNC(C)c1ccccc1 269862a_100015191253_100000185851 [0,3,0,0,0,0|1,0,0]=4 22489 B13R1.24 C=CCCN[C@H](C)c1ccccc1 2230a_100000751104_100000754431 [0,3,0,0,0,0|1,0,0]=4 22490 B13R1.24 C=CCCOC(C)c1ccccc1 34a_100011205117_100000211855 [0,3,0,0,0,0|0,0,0]=3 22491 B13R1.24 C=CCCO[C@H](C)c1ccccc1 34a_100000761318_100000754431 [0,3,0,0,0,0|0,0,0]=3 22492 B13R1.24 C=CCCO[C@H](C)c1ccccc1 7a_100000761318_100000754431 [0,3,0,0,0,0|0,0,0]=3 22493 B13R1.24 C=CCCSC(C)c1ccccc1 62a_100000230085_100000754431 [0,3,0,0,0,0|0,1,0]=4 22494 B13R1.24 C=CCCSC(C)c1ccccc1 62a_100000754431_100000230085 [0,3,0,0,0,0|0,1,0]=4 22495 B13R1.24 C=CCNCC(C)c1ccccc1 2230a_100000701038_100000210623 [0,3,0,0,0,0|1,0,0]=4 22496 B13R1.24 C=CCNCC(C)c1ccccc1 2230a_100020586998_100000756946 [0,3,0,0,0,0|1,0,0]=4 22497 B13R1.24 C=CCNCC(C)c1ccccc1 270004a_100020586998_100000212034 [0,3,0,0,0,0|1,0,0]=4 22498 B13R1.24 C=CCNCC(C)c1ccccc1 34a_100000701038_100015514636 [0,3,0,0,0,0|1,0,0]=4 22499 B13R1.24 C=CCNCC(O)c1ccccc1 2230a_100000210709_100000210623 [0,3,0,0,0,0|1,0,0]=4 22500 B13R1.24 C=CCNCC(O)c1ccccc1 2230a_100020586998_100000185958 [0,3,0,0,0,0|1,0,0]=4 22501 B13R1.24 C=CCNC[C@@H](O)c1ccccc1 2230a_100020586998_100011933945 [0,3,0,0,0,0|1,0,0]=4 22502 B13R1.24 C=CCNNC(=O)c1ccccc1 22a_100020588587_100000185807 [0,3,0,0,0,0|1,0,0]=4 22503 B13R1.24 C=CCOCC(=O)c1ccccn1 34a_200000210373_100000027445 [0,3,0,0,0,0|1,0,0]=4 22504 B13R1.24 C=CCOCC(C)c1ccccc1 34a_100011215166_100015514636 [0,3,0,0,0,0|0,0,0]=3 22505 B13R1.24 C=CCOCC(C)c1ccccc1 34a_200000210373_100000756946 [0,3,0,0,0,0|0,0,0]=3 22506 B13R1.24 C=CCOCC(C)c1ccccc1 7a_100011215166_100015514636 [0,3,0,0,0,0|0,0,0]=3 22507 B13R1.24 C=CCOCC(O)c1ccccc1 34a_200000210373_100000185958 [0,3,0,0,0,0|0,0,0]=3 22508 B13R1.24 C=CCOC[C@@H](N)c1ccccc1 34a_100000751927_100015514636 [0,3,0,0,0,0|0,0,0]=3 22509 B13R1.24 C=CCOC[C@@H](N)c1ccncc1 34a_100138412524_100015514636 [0,3,0,0,0,0|1,0,0]=4 22510 B13R1.24 C=CCOC[C@@H](O)c1ccccc1 34a_200000210373_100011933945 [0,3,0,0,0,0|0,0,0]=3 22511 B13R1.24 C=CCSCC(=O)c1ccccc1 62a_100000210623_100000211460 [0,3,0,0,0,0|0,1,0]=4 22512 B13R1.24 C=CCSCC(=O)c1ccccc1 62a_100000211460_100000210623 [0,3,0,0,0,0|0,1,0]=4 22513 B13R1.24 C=CCSCC(C)c1ccccc1 62a_100000210623_100000756946 [0,3,0,0,0,0|0,1,0]=4 22514 B13R1.24 C=CCSCC(C)c1ccccc1 62a_100000756946_100000210623 [0,3,0,0,0,0|0,1,0]=4 22515 B13R1.24 C=CCSCC(O)c1ccccc1 62a_100000185958_100000210623 [0,3,0,0,0,0|0,1,0]=4 22516 B13R1.24 C=CCSCC(O)c1ccccc1 62a_100000210623_100000185958 [0,3,0,0,0,0|0,1,0]=4 22517 B13R1.24 C=CCSCS(=O)c1ccccc1 62a_100000210623_100000031784 [0,3,0,0,0,0|0,1,0]=4 22518 B13R1.24 C=CCSC[C@@H](O)c1ccccc1 62a_100000210623_100011933945 [0,3,0,0,0,0|0,1,0]=4 22519 B13R1.24 C=CCSC[C@@H](O)c1ccccc1 62a_100011933945_100000210623 [0,3,0,0,0,0|0,1,0]=4 22520 B13R1.24 C=COCCC(=O)c1ccccc1 1458a_100000185807_100000039644 [0,3,0,0,0,0|1,0,0]=4 22521 B13R1.24 C=COCCN(C)c1ccccc1 2230a_100000210012_100000039644 [0,3,0,0,0,0|1,0,0]=4 22522 B13R1.24 C=COCCN(C)c1ccccc1 269982a_100000210012_100000039644 [0,3,0,0,0,0|1,0,0]=4 22523 B13R1.24 C=COCCN(C)c1ccccc1 34a_100000210012_100000039644 [0,3,0,0,0,0|1,0,0]=4 22524 B13R1.24 CC(COCC=O)c1ccccc1 34a_100011215166_200009817547 [0,3,0,0,0,0|1,0,0]=4 22525 B13R1.24 CC(COCC=O)c1ccccc1 7a_100011215166_200015260668 [0,3,0,0,0,0|1,0,0]=4 22526 B13R1.24 CC/C=C\CC(=O)c1ccccc1 1458a_100000185807_100103147603 [0,3,0,0,0,0|1,0,0]=4 22527 B13R1.24 CC/C=C\CN(C)c1ccccc1 2230a_100000210012_100103147603 [0,3,0,0,0,0|1,0,0]=4 22528 B13R1.24 CC/C=C\CN(C)c1ccccc1 269982a_100000210012_100103147603 [0,3,0,0,0,0|1,0,0]=4 22529 B13R1.24 CC/C=C\CN(C)c1ccccc1 34a_100000210012_100103147603 [0,3,0,0,0,0|1,0,0]=4 22530 B13R1.24 CC=CCN[C@H](C)c1ccccc1 2230a_100000751104_100000070051 [0,3,0,0,0,0|1,0,0]=4 22531 B13R1.24 CC=CCO[C@H](C)c1ccccc1 34a_100000761318_100000070051 [0,3,0,0,0,0|0,0,0]=3 22532 B13R1.24 CC=CCO[C@H](C)c1ccccc1 7a_100000761318_100000070051 [0,3,0,0,0,0|0,0,0]=3 22533 B13R1.24 CC=CCSC(C)c1ccccc1 62a_100000070051_100000230085 [0,3,0,0,0,0|0,1,0]=4 22534 B13R1.24 CC=CCSC(C)c1ccccc1 62a_100000230085_100000070051 [0,3,0,0,0,0|0,1,0]=4 22535 B13R1.24 N[C@H](COCC=O)c1ccccc1 34a_100000751927_200009817547 [0,3,0,0,0,0|1,0,0]=4 22536 B13R1.45 C=C(C)CCC(=O)c1ccccc1 1458a_100000185807_100000730704 [0,3,0,0,0,0|1,0,0]=4 22537 B13R1.45 C=C(C)CCN(C)c1ccccc1 2230a_100000210012_100000730704 [0,3,0,0,0,0|1,0,0]=4 22538 B13R1.45 C=C(C)CCN(C)c1ccccc1 269982a_100000210012_100000730704 [0,3,0,0,0,0|1,0,0]=4 22539 B13R1.45 C=C(C)CCN(C)c1ccccc1 34a_100000210012_100000730704 [0,3,0,0,0,0|1,0,0]=4 22540 B13R1.45 C=C(C)CNC(=O)c1ccccc1 11a_100000765925_100000185807 [0,3,0,0,0,0|1,0,0]=4 22541 B13R1.45 C=C(C)CNC(=O)c1ccccc1 1626a_100000765925_100000185807 [0,3,0,0,0,0|1,0,0]=4 22542 B13R1.45 C=C(C)CNC(=O)c1ccccc1 240690a_100000765925_100000185807 [0,3,0,0,0,0|1,0,0]=4 22543 B13R1.45 C=C(C)CNC(=O)c1ccccc1 527a_100000765925_100000185807 [0,3,0,0,0,0|1,0,0]=4 22544 B13R1.45 C=C(C)CN[C@H](C)c1ccccc1 2230a_100000751104_100000748629 [0,3,0,0,0,0|1,0,0]=4 22545 B13R1.45 C=C(C)COC(C)c1ccccc1 34a_100000210245_100000211855 [0,3,0,0,0,0|0,0,0]=3 22546 B13R1.45 C=C(C)CO[C@H](C)c1ccccc1 34a_100000761318_100000748629 [0,3,0,0,0,0|0,0,0]=3 22547 B13R1.45 C=C(C)CO[C@H](C)c1ccccc1 7a_100000761318_100000748629 [0,3,0,0,0,0|0,0,0]=3 22548 B13R1.45 C=C(C)CSC(C)c1ccccc1 62a_100000230085_100000211660 [0,3,0,0,0,0|0,1,0]=4 22549 B13R1.45 C=C(C)CSC(C)c1ccccc1 62a_100000748629_100000230085 [0,3,0,0,0,0|0,1,0]=4 22550 B13R1.45 C=C(F)CN[C@H](C)c1ccccc1 2230a_100000751104_100009893438 [0,3,0,0,0,0|1,0,0]=4 22551 B13R1.45 C=C(F)COC(C)c1ccccc1 34a_200010262243_100000211855 [0,3,0,0,0,0|0,0,0]=3 22552 B13R1.45 C=C(F)CO[C@H](C)c1ccccc1 34a_100000761318_100009893438 [0,3,0,0,0,0|0,0,0]=3 22553 B13R1.45 C=C(F)CO[C@H](C)c1ccccc1 7a_100000761318_100000042424 [0,3,0,0,0,0|0,0,0]=3 22554 B13R1.45 C=C(F)CSC(C)c1ccccc1 62a_100000042424_100000230085 [0,3,0,0,0,0|0,1,0]=4 22555 B13R1.45 C=C(F)CSC(C)c1ccccc1 62a_100000230085_100000042424 [0,3,0,0,0,0|0,1,0]=4 22556 B13R1.45 CC(=CCC(=O)c1ccccc1)C 1458a_100000185807_100000761012 [0,3,0,0,0,0|1,0,0]=4 22557 B13R1.45 CC(=CCN(C)c1ccccc1)C 2230a_100000210012_100000761012 [0,3,0,0,0,0|1,0,0]=4 22558 B13R1.45 CC(=CCN(C)c1ccccc1)C 269982a_100000210012_100000761012 [0,3,0,0,0,0|1,0,0]=4 22559 B13R1.45 CC(=CCN(C)c1ccccc1)C 34a_100000210012_100000761012 [0,3,0,0,0,0|1,0,0]=4 22560 B13R1.45 CC(=O)COC(=O)c1ccccc1 1458a_100000070787_100000073877 [0,3,0,0,0,0|0,0,1]=4 22561 B13R1.45 CC(=O)COC(C)c1ccccc1 34a_100000211253_100000211855 [0,3,0,0,0,0|0,0,1]=4 22562 B13R1.45 C[C@@H](OCC(=O)N)c1ccccc1 34a_100000761318_100000187820 [0,3,0,0,0,0|1,0,0]=4 22563 B13R1.45 C[C@@H](OCC(=O)N)c1ccccc1 7a_100000761318_100000187820 [0,3,0,0,0,0|1,0,0]=4 22564 B13R1.45 C[C@@H](OCC(=O)[O-])c1ccccc1 34a_100000761318_100020667443 [0,3,0,0,0,0|1,0,0]=4 22565 B13R1.47 C=CCC(=O)C(=C)c1ccccc1 1458a_100000065200_100000210623 [0,3,0,0,0,0|1,0,0]=4 22566 B13R1.47 C=CCC(=O)C(C)c1ccccc1 1458a_100000210193_100000230085 [0,3,0,0,0,0|1,0,0]=4 22567 B13R1.47 C=CCC(=O)C(F)c1ccccc1 1458a_100000698975_100000210623 [0,3,0,0,0,0|1,0,0]=4 22568 B13R1.47 C=CCC(=O)N(C)c1ccccc1 11a_100000210012_100000210193 [0,3,0,0,0,0|1,0,0]=4 22569 B13R1.47 C=CCC(=O)N(C)c1ccccc1 1626a_100000210012_100000210193 [0,3,0,0,0,0|1,0,0]=4 22570 B13R1.47 C=CCC(=O)N(C)c1ccccc1 22a_100000210012_100000210193 [0,3,0,0,0,0|1,0,0]=4 22571 B13R1.47 C=CCC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_100000210623 [0,3,0,0,0,0|1,0,0]=4 22572 B13R1.47 C=CCC(=O)[C@H](O)c1ccccc1 1458a_100000684486_100000210623 [0,3,0,0,0,0|1,0,0]=4 22573 B13R1.47 C=CCN(C)C(=O)c1ccccc1 11a_100000225617_100000185807 [0,3,0,0,0,0|1,0,0]=4 22574 B13R1.47 C=CCN(C)C(=O)c1ccccc1 1626a_100000225617_100000185807 [0,3,0,0,0,0|1,0,0]=4 22575 B13R1.47 C=CCN(C)C(=O)c1ccccc1 240690a_100000225617_100000185807 [0,3,0,0,0,0|1,0,0]=4 22576 B13R1.47 C=CCN(C)C(=O)c1ccccc1 527a_100000225617_100000185807 [0,3,0,0,0,0|1,0,0]=4 22577 B13R1.47 C=CCN(C)C(C)c1ccccc1 2230a_100000195388_100000210623 [0,3,0,0,0,0|1,0,0]=4 22578 B13R1.47 C=CCN(C)C(C)c1ccccc1 2230a_100000225617_100000230085 [0,3,0,0,0,0|1,0,0]=4 22579 B13R1.47 C=CCN(C)C(C)c1ccccc1 269982a_100000195388_100000210623 [0,3,0,0,0,0|1,0,0]=4 22580 B13R1.47 C=CCN(C)C(C)c1ccccc1 269982a_100000225617_100000230085 [0,3,0,0,0,0|1,0,0]=4 22581 B13R1.122 C=CCNC(C)(C)c1ccccc1 2230a_100011218174_100000210623 [0,3,0,0,0,0|1,0,0]=4 22582 B13R1.122 C=CCNC(C)(C)c1ccccc1 2230a_100020586998_100000034625 [0,3,0,0,0,0|1,0,0]=4 22583 B13R1.122 C=CCNS(=O)(=O)c1ccccc1 270084a_100020586998_100000210345 [0,3,0,0,0,0|0,1,0]=4 22584 B13R1.122 C=CCNS(=O)(=O)c1ccccc1 274078a_100020586998_100000210345 [0,3,0,0,0,0|0,1,0]=4 22585 B13R1.122 C=CCNS(=O)(=O)c1ccccc1 40a_100020586998_100000032697 [0,3,0,0,0,0|0,1,0]=4 22586 B13R1.122 C=CCOC(C)(C)c1ccccc1 7a_100000694644_100015514636 [0,3,0,0,0,0|0,0,0]=3 22587 B13R1.122 C=CCOC(C)(C)c1ccccn1 7a_100000041474_100015514636 [0,3,0,0,0,0|1,0,0]=4 22588 B13R1.122 C=CCSC(C)(C)c1ccccc1 62a_100000034625_100000210623 [0,3,0,0,0,0|0,1,0]=4 22589 B13R1.122 C=CCSC(C)(C)c1ccccc1 62a_100000210623_100000034625 [0,3,0,0,0,0|0,1,0]=4 22590 B13R1.122 C=CCSC(F)(F)c1ccccc1 62a_100000210623_100000036403 [0,3,0,0,0,0|0,1,0]=4 22591 B13R1.122 CC(C)(OCC=O)c1ccccc1 7a_100000694644_200015260668 [0,3,0,0,0,0|1,0,0]=4 22592 B13R1.674 C/C=C/CC(=O)c1ccccc1Br 1458a_100000188424_100102629194 [0,3,0,0,0,0|1,0,0]=4 22593 B13R1.674 C/C=C/CC(=O)c1ccccc1C 1458a_100000212026_100102629194 [0,3,0,0,0,0|1,0,0]=4 22594 B13R1.674 C/C=C/CC(=O)c1ccccc1Cl 1458a_100000185844_100102629194 [0,3,0,0,0,0|1,0,0]=4 22595 B13R1.674 C/C=C/CC(=O)c1ccccc1F 1458a_100000188656_100102629194 [0,3,0,0,0,0|1,0,0]=4 22596 B13R1.674 C/C=C/CC(=O)c1ccccc1I 1458a_100000187884_100102629194 [0,3,0,0,0,0|1,0,0]=4 22597 B13R1.674 C/C=C/CC(=O)c1ccccc1O 1458a_100015234032_100102629194 [0,3,0,0,0,0|1,0,0]=4 22598 B13R1.674 C/C=C/CC(=O)c1ccccc1[O-] 1458a_100009911694_100102629194 [0,3,0,0,0,0|1,0,0]=4 22599 B13R1.674 C/C=C/CN(C)c1ccccc1Br 269982a_100020606079_100102629194 [0,3,0,0,0,0|1,0,0]=4 22600 B13R1.674 C/C=C/CN(C)c1ccccc1Br 34a_100020606079_100102629194 [0,3,0,0,0,0|1,0,0]=4 22601 B13R1.674 C/C=C/CN(C)c1ccccc1C 269982a_100000219699_100102629194 [0,3,0,0,0,0|1,0,0]=4 22602 B13R1.674 C/C=C/CN(C)c1ccccc1C 34a_100000219699_100102629194 [0,3,0,0,0,0|1,0,0]=4 22603 B13R1.674 C/C=C/CN(C)c1ccccc1Cl 269982a_100000219374_100102629194 [0,3,0,0,0,0|1,0,0]=4 22604 B13R1.674 C/C=C/CN(C)c1ccccc1Cl 34a_100000219374_100102629194 [0,3,0,0,0,0|1,0,0]=4 22605 B13R1.674 C/C=C/CN(C)c1ccccc1F 269982a_100000220357_100102629194 [0,3,0,0,0,0|1,0,0]=4 22606 B13R1.674 C/C=C/CN(C)c1ccccc1F 34a_100000220357_100102629194 [0,3,0,0,0,0|1,0,0]=4 22607 B13R1.674 C/C=C/CN(C)c1ccccc1O 269982a_100000033821_100102629194 [0,3,0,0,0,0|1,0,0]=4 22608 B13R1.674 C=CCCC(=O)c1ccccc1Br 1458a_100000188424_100000754431 [0,3,0,0,0,0|1,0,0]=4 22609 B13R1.674 C=CCCC(=O)c1ccccc1C 1458a_100000212026_100000754431 [0,3,0,0,0,0|1,0,0]=4 22610 B13R1.674 C=CCCC(=O)c1ccccc1Cl 1458a_100000185844_100000754431 [0,3,0,0,0,0|1,0,0]=4 22611 B13R1.674 C=CCCC(=O)c1ccccc1F 1458a_100000188656_100000754431 [0,3,0,0,0,0|1,0,0]=4 22612 B13R1.674 C=CCCC(=O)c1ccccc1I 1458a_100000187884_100000754431 [0,3,0,0,0,0|1,0,0]=4 22613 B13R1.674 C=CCCC(=O)c1ccccc1O 1458a_100015234032_100000754431 [0,3,0,0,0,0|1,0,0]=4 22614 B13R1.674 C=CCCC(=O)c1ccccc1[O-] 1458a_100009911694_100000754431 [0,3,0,0,0,0|1,0,0]=4 22615 B13R1.674 C=CCCN(C)c1ccccc1Br 2230a_100020606079_100000754431 [0,3,0,0,0,0|1,0,0]=4 22616 B13R1.674 C=CCCN(C)c1ccccc1Br 269982a_100020606079_100000754431 [0,3,0,0,0,0|1,0,0]=4 22617 B13R1.674 C=CCCN(C)c1ccccc1Br 34a_100020606079_100000754431 [0,3,0,0,0,0|1,0,0]=4 22618 B13R1.674 C=CCCN(C)c1ccccc1C 2230a_100000219699_100000754431 [0,3,0,0,0,0|1,0,0]=4 22619 B13R1.674 C=CCCN(C)c1ccccc1C 269982a_100000219699_100000754431 [0,3,0,0,0,0|1,0,0]=4 22620 B13R1.674 C=CCCN(C)c1ccccc1C 34a_100000219699_100000754431 [0,3,0,0,0,0|1,0,0]=4 22621 B13R1.674 C=CCCN(C)c1ccccc1Cl 2230a_100000219374_100000754431 [0,3,0,0,0,0|1,0,0]=4 22622 B13R1.674 C=CCCN(C)c1ccccc1Cl 269982a_100000219374_100000754431 [0,3,0,0,0,0|1,0,0]=4 22623 B13R1.674 C=CCCN(C)c1ccccc1Cl 34a_100000219374_100000754431 [0,3,0,0,0,0|1,0,0]=4 22624 B13R1.674 C=CCCN(C)c1ccccc1F 2230a_100000220357_100000754431 [0,3,0,0,0,0|1,0,0]=4 22625 B13R1.674 C=CCCN(C)c1ccccc1F 269982a_100000220357_100000754431 [0,3,0,0,0,0|1,0,0]=4 22626 B13R1.674 C=CCCN(C)c1ccccc1F 34a_100000220357_100000754431 [0,3,0,0,0,0|1,0,0]=4 22627 B13R1.674 C=CCCN(C)c1ccccc1F 38a_100000220357_100000754431 [0,3,0,0,0,0|1,0,0]=4 22628 B13R1.674 C=CCCN(C)c1ccccc1O 269982a_100000033821_100000754431 [0,3,0,0,0,0|1,0,0]=4 22629 B13R1.674 C=CCNC(=O)c1ccccc1Br 1626a_100020586998_100000188424 [0,3,0,0,0,0|1,0,0]=4 22630 B13R1.674 C=CCNC(=O)c1ccccc1Br 240690a_100020586998_100000188424 [0,3,0,0,0,0|1,0,0]=4 22631 B13R1.674 C=CCNC(=O)c1ccccc1Br 527a_100020586998_100000188424 [0,3,0,0,0,0|1,0,0]=4 22632 B13R1.674 C=CCNC(=O)c1ccccc1C 1626a_100020586998_100000212026 [0,3,0,0,0,0|1,0,0]=4 22633 B13R1.674 C=CCNC(=O)c1ccccc1C 240690a_100020586998_100000212026 [0,3,0,0,0,0|1,0,0]=4 22634 B13R1.674 C=CCNC(=O)c1ccccc1C 527a_100020586998_100000212026 [0,3,0,0,0,0|1,0,0]=4 22635 B13R1.674 C=CCNC(=O)c1ccccc1Cl 1626a_100020586998_100000185844 [0,3,0,0,0,0|1,0,0]=4 22636 B13R1.674 C=CCNC(=O)c1ccccc1Cl 240690a_100020586998_100000185844 [0,3,0,0,0,0|1,0,0]=4 22637 B13R1.674 C=CCNC(=O)c1ccccc1Cl 527a_100020586998_100000185844 [0,3,0,0,0,0|1,0,0]=4 22638 B13R1.674 C=CCNC(=O)c1ccccc1F 1626a_100020586998_100000188656 [0,3,0,0,0,0|1,0,0]=4 22639 B13R1.674 C=CCNC(=O)c1ccccc1F 240690a_100020586998_100000188656 [0,3,0,0,0,0|1,0,0]=4 22640 B13R1.674 C=CCNC(=O)c1ccccc1F 527a_100020586998_100000188656 [0,3,0,0,0,0|1,0,0]=4 22641 B13R1.674 C=CCNC(=O)c1ccccc1I 1626a_100020586998_100000187884 [0,3,0,0,0,0|1,0,0]=4 22642 B13R1.674 C=CCNC(=O)c1ccccc1I 240690a_100020586998_100000187884 [0,3,0,0,0,0|1,0,0]=4 22643 B13R1.674 C=CCNC(=O)c1ccccc1I 527a_100020586998_100000187884 [0,3,0,0,0,0|1,0,0]=4 22644 B13R1.674 C=CCNC(=O)c1ccccc1O 240690a_100020586998_100015234032 [0,3,0,0,0,0|1,0,0]=4 22645 B13R1.674 C=CCNC(=O)c1ccccc1[O-] 1626a_100020586998_100009911694 [0,3,0,0,0,0|1,0,0]=4 22646 B13R1.674 C=CCNC(=O)c1ccccc1[O-] 240690a_100020586998_100009911694 [0,3,0,0,0,0|1,0,0]=4 22647 B13R1.674 C=CCNC(=O)c1ccccc1[O-] 527a_100020586998_100009911694 [0,3,0,0,0,0|1,0,0]=4 22648 B13R1.674 C=CCNC(C)c1ccccc1Br 2230a_100000181357_100000210623 [0,3,0,0,0,0|1,0,0]=4 22649 B13R1.674 C=CCNC(C)c1ccccc1C 2230a_100000181355_100000210623 [0,3,0,0,0,0|1,0,0]=4 22650 B13R1.674 C=CCNC(C)c1ccccc1C 34a_100000181355_100015514636 [0,3,0,0,0,0|1,0,0]=4 22651 B13R1.674 C=CCNC(C)c1ccccc1Cl 2230a_100000174978_100000210623 [0,3,0,0,0,0|1,0,0]=4 22652 B13R1.674 C=CCNC(C)c1ccccc1Cl 2230a_100020586998_100000181259 [0,3,0,0,0,0|1,0,0]=4 22653 B13R1.674 C=CCNC(C)c1ccccc1Cl 34a_100000174978_100015514636 [0,3,0,0,0,0|1,0,0]=4 22654 B13R1.674 C=CCNC(C)c1ccccc1F 2230a_100000181408_100000210623 [0,3,0,0,0,0|1,0,0]=4 22655 B13R1.674 C=CCNC(C)c1ccccc1F 2230a_100020586998_200000741388 [0,3,0,0,0,0|1,0,0]=4 22656 B13R1.674 C=CCNC(C)c1ccccc1F 34a_100000181408_100015514636 [0,3,0,0,0,0|1,0,0]=4 22657 B13R1.674 C=CCN[C@H](C)c1ccccc1O 2230a_100025703389_100000210623 [0,3,0,0,0,0|1,0,0]=4 22658 B13R1.674 C=CCOC(C)c1ccccc1Br 34a_100000702211_100015514636 [0,3,0,0,0,0|0,0,0]=3 22659 B13R1.674 C=CCOC(C)c1ccccc1Br 7a_100000702211_100015514636 [0,3,0,0,0,0|0,0,0]=3 22660 B13R1.674 C=CCOC(C)c1ccccc1C 34a_100000742021_100015514636 [0,3,0,0,0,0|0,0,0]=3 22661 B13R1.674 C=CCOC(C)c1ccccc1C 7a_100000742021_100015514636 [0,3,0,0,0,0|0,0,0]=3 22662 B13R1.674 C=CCOC(C)c1ccccc1Cl 34a_100000740796_100015514636 [0,3,0,0,0,0|0,0,0]=3 22663 B13R1.674 C=CCOC(C)c1ccccc1Cl 7a_100000740796_100015514636 [0,3,0,0,0,0|0,0,0]=3 22664 B13R1.674 C=CCOC(C)c1ccccc1F 34a_100000697922_100015514636 [0,3,0,0,0,0|0,0,0]=3 22665 B13R1.674 C=CCOC(C)c1ccccc1F 34a_200000210373_200000741388 [0,3,0,0,0,0|0,0,0]=3 22666 B13R1.674 C=CCOC(C)c1ccccc1F 7a_100000697922_100015514636 [0,3,0,0,0,0|0,0,0]=3 22667 B13R1.674 C=CCOC(C)c1ccccc1N 7a_100011405641_100015514636 [0,3,0,0,0,0|0,0,0]=3 22668 B13R1.674 C=CCOC(C)c1cccnc1Cl 34a_100009865335_100015514636 [0,3,0,0,0,0|1,0,0]=4 22669 B13R1.674 C=CCOC(C)c1cccnc1Cl 7a_100009865335_100015514636 [0,3,0,0,0,0|1,0,0]=4 22670 B13R1.674 C=CCOC(C)c1ccncc1F 34a_100012180158_100015514636 [0,3,0,0,0,0|1,0,0]=4 22671 B13R1.674 C=CCO[C@@H](C)c1ncccc1Br 7a_100013325542_100015514636 [0,3,0,0,0,0|1,0,0]=4 22672 B13R1.674 C=CCSC(C)c1ccccc1Cl 62a_100000181259_100000210623 [0,3,0,0,0,0|0,1,0]=4 22673 B13R1.674 C=CCSC(C)c1ccccc1Cl 62a_100000210623_100000181259 [0,3,0,0,0,0|0,1,0]=4 22674 B13R1.674 C=CCSC(C)c1ccccc1F 62a_100000210623_200000741388 [0,3,0,0,0,0|0,1,0]=4 22675 B13R1.674 C=CCSC(C)c1ccccc1F 62a_200000741388_100000210623 [0,3,0,0,0,0|0,1,0]=4 22676 B13R1.674 CC(OCC=O)c1ccccc1Br 34a_100000702211_200009817547 [0,3,0,0,0,0|1,0,0]=4 22677 B13R1.674 CC(OCC=O)c1ccccc1Br 7a_100000702211_200015260668 [0,3,0,0,0,0|1,0,0]=4 22678 B13R1.674 CC(OCC=O)c1ccccc1Cl 34a_100000740796_200009817547 [0,3,0,0,0,0|1,0,0]=4 22679 B13R1.674 CC(OCC=O)c1ccccc1Cl 7a_100000740796_200015260668 [0,3,0,0,0,0|1,0,0]=4 22680 B13R1.674 CC(OCC=O)c1ccccc1F 34a_100000697922_200009817547 [0,3,0,0,0,0|1,0,0]=4 22681 B13R1.674 CC(OCC=O)c1ccccc1F 7a_100000697922_200015260668 [0,3,0,0,0,0|1,0,0]=4 22682 B13R1.674 CC(OCC=O)c1ccccc1N 7a_100011405641_200015260668 [0,3,0,0,0,0|1,0,0]=4 22683 B13R1.674 CC=CCC(=O)c1ccccc1Br 1458a_100000188424_100000070051 [0,3,0,0,0,0|1,0,0]=4 22684 B13R1.674 CC=CCC(=O)c1ccccc1C 1458a_100000212026_100000070051 [0,3,0,0,0,0|1,0,0]=4 22685 B13R1.674 CC=CCC(=O)c1ccccc1Cl 1458a_100000185844_100000070051 [0,3,0,0,0,0|1,0,0]=4 22686 B13R1.674 CC=CCC(=O)c1ccccc1F 1458a_100000188656_100000070051 [0,3,0,0,0,0|1,0,0]=4 22687 B13R1.674 CC=CCC(=O)c1ccccc1I 1458a_100000187884_100000070051 [0,3,0,0,0,0|1,0,0]=4 22688 B13R1.674 CC=CCC(=O)c1ccccc1O 1458a_100015234032_100000070051 [0,3,0,0,0,0|1,0,0]=4 22689 B13R1.674 CC=CCC(=O)c1ccccc1[O-] 1458a_100009911694_100000070051 [0,3,0,0,0,0|1,0,0]=4 22690 B13R1.674 CC=CCN(C)c1ccccc1Br 2230a_100020606079_100000070051 [0,3,0,0,0,0|1,0,0]=4 22691 B13R1.674 CC=CCN(C)c1ccccc1Br 34a_100020606079_100000070051 [0,3,0,0,0,0|1,0,0]=4 22692 B13R1.674 CC=CCN(C)c1ccccc1C 2230a_100000219699_100000070051 [0,3,0,0,0,0|1,0,0]=4 22693 B13R1.674 CC=CCN(C)c1ccccc1C 34a_100000219699_100000070051 [0,3,0,0,0,0|1,0,0]=4 22694 B13R1.674 CC=CCN(C)c1ccccc1Cl 2230a_100000219374_100000070051 [0,3,0,0,0,0|1,0,0]=4 22695 B13R1.674 CC=CCN(C)c1ccccc1Cl 34a_100000219374_100000070051 [0,3,0,0,0,0|1,0,0]=4 22696 B13R1.674 CC=CCN(C)c1ccccc1F 2230a_100000220357_100000070051 [0,3,0,0,0,0|1,0,0]=4 22697 B13R1.674 CC=CCN(C)c1ccccc1F 34a_100000220357_100000070051 [0,3,0,0,0,0|1,0,0]=4 22698 B13R1.674 Cc1ccccc1C(C)OCC=O 34a_100000742021_200009817547 [0,3,0,0,0,0|1,0,0]=4 22699 B13R1.674 Cc1ccccc1C(C)OCC=O 7a_100000742021_200015260668 [0,3,0,0,0,0|1,0,0]=4 22700 B13R1.263 C=CC(F)(F)N(C)c1ccccc1 269982a_100000210012_100009814244 [0,3,0,0,0,0|1,0,0]=4 22701 B13R1.696 C=CC(C)N(C)c1ccccc1Br 269982a_100020606079_100011215867 [0,3,0,0,0,0|1,0,0]=4 22702 B13R1.696 C=CC(C)N(C)c1ccccc1C 269982a_100000219699_100011215867 [0,3,0,0,0,0|1,0,0]=4 22703 B13R1.696 C=CC(C)N(C)c1ccccc1Cl 269982a_100000219374_100011215867 [0,3,0,0,0,0|1,0,0]=4 22704 B13R1.696 C=CC(C)N(C)c1ccccc1F 269982a_100000220357_100011215867 [0,3,0,0,0,0|1,0,0]=4 22705 B13R1.696 C=CC(C)N(C)c1ccccc1O 269982a_100000033821_100011215867 [0,3,0,0,0,0|1,0,0]=4 22706 B13R1.201 C=C(C)CC(=O)c1ccccc1Br 1458a_100000188424_100000748629 [0,3,0,0,0,0|1,0,0]=4 22707 B13R1.201 C=C(C)CC(=O)c1ccccc1C 1458a_100000212026_100000748629 [0,3,0,0,0,0|1,0,0]=4 22708 B13R1.201 C=C(C)CC(=O)c1ccccc1Cl 1458a_100000185844_100000748629 [0,3,0,0,0,0|1,0,0]=4 22709 B13R1.201 C=C(C)CC(=O)c1ccccc1F 1458a_100000188656_100000748629 [0,3,0,0,0,0|1,0,0]=4 22710 B13R1.201 C=C(C)CC(=O)c1ccccc1I 1458a_100000187884_100000748629 [0,3,0,0,0,0|1,0,0]=4 22711 B13R1.201 C=C(C)CC(=O)c1ccccc1O 1458a_100015234032_100000748629 [0,3,0,0,0,0|1,0,0]=4 22712 B13R1.201 C=C(C)CC(=O)c1ccccc1[O-] 1458a_100009911694_100000748629 [0,3,0,0,0,0|1,0,0]=4 22713 B13R1.201 C=C(C)CN(C)c1ccccc1Br 2230a_100020606079_100000748629 [0,3,0,0,0,0|1,0,0]=4 22714 B13R1.201 C=C(C)CN(C)c1ccccc1Br 269982a_100020606079_100000748629 [0,3,0,0,0,0|1,0,0]=4 22715 B13R1.201 C=C(C)CN(C)c1ccccc1Br 34a_100020606079_100000748629 [0,3,0,0,0,0|1,0,0]=4 22716 B13R1.201 C=C(C)CN(C)c1ccccc1C 2230a_100000219699_100000748629 [0,3,0,0,0,0|1,0,0]=4 22717 B13R1.201 C=C(C)CN(C)c1ccccc1C 269982a_100000219699_100000748629 [0,3,0,0,0,0|1,0,0]=4 22718 B13R1.201 C=C(C)CN(C)c1ccccc1C 34a_100000219699_100000748629 [0,3,0,0,0,0|1,0,0]=4 22719 B13R1.201 C=C(C)CN(C)c1ccccc1Cl 2230a_100000219374_100000748629 [0,3,0,0,0,0|1,0,0]=4 22720 B13R1.201 C=C(C)CN(C)c1ccccc1Cl 269982a_100000219374_100000748629 [0,3,0,0,0,0|1,0,0]=4 22721 B13R1.201 C=C(C)CN(C)c1ccccc1Cl 34a_100000219374_100000748629 [0,3,0,0,0,0|1,0,0]=4 22722 B13R1.201 C=C(C)CN(C)c1ccccc1F 2230a_100000220357_100000748629 [0,3,0,0,0,0|1,0,0]=4 22723 B13R1.201 C=C(C)CN(C)c1ccccc1F 269982a_100000220357_100000748629 [0,3,0,0,0,0|1,0,0]=4 22724 B13R1.201 C=C(C)CN(C)c1ccccc1F 34a_100000220357_100000748629 [0,3,0,0,0,0|1,0,0]=4 22725 B13R1.201 C=C(C)CN(C)c1ccccc1F 38a_100000220357_100000748629 [0,3,0,0,0,0|1,0,0]=4 22726 B13R1.201 C=C(C)CN(C)c1ccccc1O 269982a_100000033821_100000748629 [0,3,0,0,0,0|1,0,0]=4 22727 B13R1.201 C=C(F)CC(=O)c1ccccc1Br 1458a_100000188424_100009893438 [0,3,0,0,0,0|1,0,0]=4 22728 B13R1.201 C=C(F)CC(=O)c1ccccc1C 1458a_100000212026_100009893438 [0,3,0,0,0,0|1,0,0]=4 22729 B13R1.201 C=C(F)CC(=O)c1ccccc1Cl 1458a_100000185844_100009893438 [0,3,0,0,0,0|1,0,0]=4 22730 B13R1.201 C=C(F)CC(=O)c1ccccc1F 1458a_100000188656_100009893438 [0,3,0,0,0,0|1,0,0]=4 22731 B13R1.201 C=C(F)CC(=O)c1ccccc1I 1458a_100000187884_100009893438 [0,3,0,0,0,0|1,0,0]=4 22732 B13R1.201 C=C(F)CC(=O)c1ccccc1O 1458a_100015234032_100009893438 [0,3,0,0,0,0|1,0,0]=4 22733 B13R1.201 C=C(F)CC(=O)c1ccccc1[O-] 1458a_100009911694_100009893438 [0,3,0,0,0,0|1,0,0]=4 22734 B13R1.201 C=C(F)CN(C)c1ccccc1Br 2230a_100020606079_100009893438 [0,3,0,0,0,0|1,0,0]=4 22735 B13R1.201 C=C(F)CN(C)c1ccccc1Br 269982a_100020606079_100009893438 [0,3,0,0,0,0|1,0,0]=4 22736 B13R1.201 C=C(F)CN(C)c1ccccc1Br 34a_100020606079_100009893438 [0,3,0,0,0,0|1,0,0]=4 22737 B13R1.201 C=C(F)CN(C)c1ccccc1C 2230a_100000219699_100009893438 [0,3,0,0,0,0|1,0,0]=4 22738 B13R1.201 C=C(F)CN(C)c1ccccc1C 269982a_100000219699_100009893438 [0,3,0,0,0,0|1,0,0]=4 22739 B13R1.201 C=C(F)CN(C)c1ccccc1C 34a_100000219699_100009893438 [0,3,0,0,0,0|1,0,0]=4 22740 B13R1.201 C=C(F)CN(C)c1ccccc1Cl 2230a_100000219374_100009893438 [0,3,0,0,0,0|1,0,0]=4 22741 B13R1.201 C=C(F)CN(C)c1ccccc1Cl 269982a_100000219374_100009893438 [0,3,0,0,0,0|1,0,0]=4 22742 B13R1.201 C=C(F)CN(C)c1ccccc1Cl 34a_100000219374_100009893438 [0,3,0,0,0,0|1,0,0]=4 22743 B13R1.201 C=C(F)CN(C)c1ccccc1F 2230a_100000220357_100009893438 [0,3,0,0,0,0|1,0,0]=4 22744 B13R1.201 C=C(F)CN(C)c1ccccc1F 269982a_100000220357_100009893438 [0,3,0,0,0,0|1,0,0]=4 22745 B13R1.201 C=C(F)CN(C)c1ccccc1F 34a_100000220357_100009893438 [0,3,0,0,0,0|1,0,0]=4 22746 B13R1.201 C=C(F)CN(C)c1ccccc1F 38a_100000220357_100009893438 [0,3,0,0,0,0|1,0,0]=4 22747 B13R1.201 C=C(F)CN(C)c1ccccc1O 269982a_100000033821_100009893438 [0,3,0,0,0,0|1,0,0]=4 22748 B13R1.464 C#Cc1ccccc1C(=O)CC=C 1458a_100011243808_100000210623 [0,3,0,0,0,0|1,0,0]=4 22749 B13R1.464 C=CCC(=O)c1ccccc1C#N 1458a_100000742908_100000210623 [0,3,0,0,0,0|1,0,0]=4 22750 B13R1.464 C=CCC(=O)c1ccccc1C=C 1458a_100011830265_100000210623 [0,3,0,0,0,0|1,0,0]=4 22751 B13R1.464 C=CCC(=O)c1ccccc1CC 1458a_100000689120_100000210623 [0,3,0,0,0,0|1,0,0]=4 22752 B13R1.464 C=CCC(=O)c1ccccc1CO 1458a_100011301526_100000210623 [0,3,0,0,0,0|1,0,0]=4 22753 B13R1.464 C=CCC(=O)c1ccccc1I=O 1458a_100000032414_100000210623 [0,3,0,0,0,0|1,0,0]=4 22754 B13R1.464 C=CCC(=O)c1ccccc1OC 1458a_100000185835_100000210623 [0,3,0,0,0,0|1,0,0]=4 22755 B13R1.464 C=CCC(=O)c1ccccc1SC 1458a_100000183967_100000210623 [0,3,0,0,0,0|1,0,0]=4 22756 B13R1.464 C=CCN(C)c1ccccc1C#N 2230a_100000744078_100000210623 [0,3,0,0,0,0|1,0,0]=4 22757 B13R1.464 C=CCN(C)c1ccccc1C#N 269982a_100000744078_100000210623 [0,3,0,0,0,0|1,0,0]=4 22758 B13R1.464 C=CCN(C)c1ccccc1OC 2230a_100000219746_100000210623 [0,3,0,0,0,0|1,0,0]=4 22759 B13R1.464 C=CCN(C)c1ccccc1OC 269982a_100000219746_100000210623 [0,3,0,0,0,0|1,0,0]=4 22760 B13R1.464 C=CCN(C)c1ccccc1OC 34a_100000219746_100015514636 [0,3,0,0,0,0|1,0,0]=4 22761 B13R1.4453 C=CCC(=O)c1c(cccc1Br)Br 1458a_100000690891_100000210623 [0,3,0,0,0,0|1,0,0]=4 22762 B13R1.4453 C=CCC(=O)c1c(cccc1Br)C 1458a_100000701904_100000210623 [0,3,0,0,0,0|1,0,0]=4 22763 B13R1.4453 C=CCC(=O)c1c(cccc1Br)Cl 1458a_100011253703_100000210623 [0,3,0,0,0,0|1,0,0]=4 22764 B13R1.4453 C=CCC(=O)c1c(cccc1Br)F 1458a_100000752694_100000210623 [0,3,0,0,0,0|1,0,0]=4 22765 B13R1.4453 C=CCC(=O)c1c(cccc1Br)O 1458a_100011935254_100000210623 [0,3,0,0,0,0|1,0,0]=4 22766 B13R1.4453 C=CCC(=O)c1c(cccc1C)C 1458a_100000758298_100000210623 [0,3,0,0,0,0|1,0,0]=4 22767 B13R1.4453 C=CCC(=O)c1c(cccc1Cl)C 1458a_100000692601_100000210623 [0,3,0,0,0,0|1,0,0]=4 22768 B13R1.4453 C=CCC(=O)c1c(cccc1Cl)Cl 1458a_100000210656_100000210623 [0,3,0,0,0,0|1,0,0]=4 22769 B13R1.4453 C=CCC(=O)c1c(cccc1Cl)F 1458a_100000210369_100000210623 [0,3,0,0,0,0|1,0,0]=4 22770 B13R1.4453 C=CCC(=O)c1c(cccc1Cl)O 1458a_100000745519_100000210623 [0,3,0,0,0,0|1,0,0]=4 22771 B13R1.4453 C=CCC(=O)c1c(cccc1F)C 1458a_100000762013_100000210623 [0,3,0,0,0,0|1,0,0]=4 22772 B13R1.4453 C=CCC(=O)c1c(cccc1F)F 1458a_100000210804_100000210623 [0,3,0,0,0,0|1,0,0]=4 22773 B13R1.4453 C=CCC(=O)c1c(cccc1F)O 1458a_100000763259_100000210623 [0,3,0,0,0,0|1,0,0]=4 22774 B13R1.4453 C=CCC(=O)c1c(cccc1I)Br 1458a_100010232521_100000210623 [0,3,0,0,0,0|1,0,0]=4 22775 B13R1.4453 C=CCC(=O)c1c(cccc1I)C 1458a_100000688020_100000210623 [0,3,0,0,0,0|1,0,0]=4 22776 B13R1.4453 C=CCC(=O)c1c(cccc1I)Cl 1458a_100000702859_100000210623 [0,3,0,0,0,0|1,0,0]=4 22777 B13R1.4453 C=CCC(=O)c1c(cccc1I)F 1458a_100000023732_100000210623 [0,3,0,0,0,0|1,0,0]=4 22778 B13R1.4453 C=CCC(=O)c1c(cccc1O)C 1458a_100011934116_100000210623 [0,3,0,0,0,0|1,0,0]=4 22779 B13R1.4453 C=CCC(=O)c1c(cccc1O)O 1458a_100000755285_100000210623 [0,3,0,0,0,0|1,0,0]=4 22780 B13R1.4453 C=CCN(C)c1c(cccc1C)C 2230a_100011645471_100000210623 [0,3,0,0,0,0|1,0,0]=4 22781 B13R1.4453 C=CCN(C)c1c(cccc1C)C 269982a_100011645471_100000210623 [0,3,0,0,0,0|1,0,0]=4 22782 B13R1.4453 C=CCN(C)c1c(cccc1C)C 34a_100011645471_100015514636 [0,3,0,0,0,0|1,0,0]=4 22783 B13R1.4453 C=CCN(C)c1c(cccc1Cl)Cl 269982a_100000691019_100000210623 [0,3,0,0,0,0|1,0,0]=4 22784 B13R1.4453 C=CCN(C)c1c(cccc1Cl)Cl 34a_100000691019_100015514636 [0,3,0,0,0,0|1,0,0]=4 22785 B13R1.4453 C=CCN(C)c1c(cccc1F)F 2230a_100000743377_100000210623 [0,3,0,0,0,0|1,0,0]=4 22786 B13R1.4453 C=CCN(C)c1c(cccc1F)F 269982a_100000743377_100000210623 [0,3,0,0,0,0|1,0,0]=4 22787 B13R1.4453 C=CCN(C)c1c(cccc1F)F 34a_100000743377_100015514636 [0,3,0,0,0,0|1,0,0]=4 22788 B13R1.4453 C=CCN(C)c1c(cccc1F)F 38a_100000743377_100000210623 [0,3,0,0,0,0|1,0,0]=4 22789 B13R1.16 C/C=C/CNc1cccc(c1Br)C 34a_100000684715_100102629194 [0,3,0,0,0,0|1,0,0]=4 22790 B13R1.16 C/C=C/CNc1cccc(c1Br)Cl 34a_100000687072_100102629194 [0,3,0,0,0,0|1,0,0]=4 22791 B13R1.16 C/C=C/CNc1cccc(c1Br)F 34a_100011934729_100102629194 [0,3,0,0,0,0|1,0,0]=4 22792 B13R1.16 C/C=C/CNc1cccc(c1Br)O 34a_100012183704_100102629194 [0,3,0,0,0,0|1,0,0]=4 22793 B13R1.16 C/C=C/CNc1cccc(c1Br)O 7a_100012183704_100102629194 [0,3,0,0,0,0|1,0,0]=4 22794 B13R1.16 C/C=C/CNc1cccc(c1C)Br 34a_100000750434_100102629194 [0,3,0,0,0,0|1,0,0]=4 22795 B13R1.16 C/C=C/CNc1cccc(c1C)C 34a_100000210026_100102629194 [0,3,0,0,0,0|1,0,0]=4 22796 B13R1.16 C/C=C/CNc1cccc(c1C)C 7a_100000210026_100102629194 [0,3,0,0,0,0|1,0,0]=4 22797 B13R1.16 C/C=C/CNc1cccc(c1C)Cl 34a_100000210441_100102629194 [0,3,0,0,0,0|1,0,0]=4 22798 B13R1.16 C/C=C/CNc1cccc(c1C)Cl 7a_100000210441_100102629194 [0,3,0,0,0,0|1,0,0]=4 22799 B13R1.16 C/C=C/CNc1cccc(c1C)F 34a_100000745574_100102629194 [0,3,0,0,0,0|1,0,0]=4 22800 B13R1.16 C/C=C/CNc1cccc(c1C)F 7a_100000745574_100102629194 [0,3,0,0,0,0|1,0,0]=4 22801 B13R1.16 C/C=C/CNc1cccc(c1C)I 34a_100000761887_100102629194 [0,3,0,0,0,0|1,0,0]=4 22802 B13R1.16 C/C=C/CNc1cccc(c1C)O 34a_100011216573_100102629194 [0,3,0,0,0,0|1,0,0]=4 22803 B13R1.16 C/C=C/CNc1cccc(c1C)O 7a_100011216573_100102629194 [0,3,0,0,0,0|1,0,0]=4 22804 B13R1.16 C/C=C/CNc1cccc(c1Cl)Br 34a_100000687075_100102629194 [0,3,0,0,0,0|1,0,0]=4 22805 B13R1.16 C/C=C/CNc1cccc(c1Cl)C 34a_100000765562_100102629194 [0,3,0,0,0,0|1,0,0]=4 22806 B13R1.16 C/C=C/CNc1cccc(c1Cl)C 7a_100000765562_100102629194 [0,3,0,0,0,0|1,0,0]=4 22807 B13R1.16 C/C=C/CNc1cccc(c1Cl)Cl 34a_100000185733_100102629194 [0,3,0,0,0,0|1,0,0]=4 22808 B13R1.16 C/C=C/CNc1cccc(c1Cl)F 34a_100000692321_100102629194 [0,3,0,0,0,0|1,0,0]=4 22809 B13R1.16 C/C=C/CNc1cccc(c1Cl)O 34a_100012002038_100102629194 [0,3,0,0,0,0|1,0,0]=4 22810 B13R1.16 C/C=C/CNc1cccc(c1Cl)O 7a_100012002038_100102629194 [0,3,0,0,0,0|1,0,0]=4 22811 B13R1.16 C/C=C/CNc1cccc(c1F)Br 34a_100011935091_100102629194 [0,3,0,0,0,0|1,0,0]=4 22812 B13R1.16 C/C=C/CNc1cccc(c1F)C 34a_100000697159_100102629194 [0,3,0,0,0,0|1,0,0]=4 22813 B13R1.16 C/C=C/CNc1cccc(c1F)C 7a_100000697159_100102629194 [0,3,0,0,0,0|1,0,0]=4 22814 B13R1.16 C/C=C/CNc1cccc(c1F)Cl 34a_100000199060_100102629194 [0,3,0,0,0,0|1,0,0]=4 22815 B13R1.16 C/C=C/CNc1cccc(c1F)F 34a_100000743855_100102629194 [0,3,0,0,0,0|1,0,0]=4 22816 B13R1.16 C/C=C/CNc1cccc(c1I)Br 34a_100020590159_100102629194 [0,3,0,0,0,0|1,0,0]=4 22817 B13R1.16 C/C=C/CNc1cccc(c1I)C 34a_100000761888_100102629194 [0,3,0,0,0,0|1,0,0]=4 22818 B13R1.16 C/C=C/CNc1cccc(c1I)Cl 34a_100000049713_100102629194 [0,3,0,0,0,0|1,0,0]=4 22819 B13R1.16 C/C=C/CNc1cccc(c1I)F 34a_100000690935_100102629194 [0,3,0,0,0,0|1,0,0]=4 22820 B13R1.16 C/C=C/CNc1cccc(c1O)Br 34a_100011934915_100102629194 [0,3,0,0,0,0|1,0,0]=4 22821 B13R1.16 C/C=C/CNc1cccc(c1O)C 34a_100000756359_100102629194 [0,3,0,0,0,0|1,0,0]=4 22822 B13R1.16 C/C=C/CNc1cccc(c1O)Cl 34a_100000754742_100102629194 [0,3,0,0,0,0|1,0,0]=4 22823 B13R1.16 C/C=C/CNc1cccc(c1O)F 34a_100011934987_100102629194 [0,3,0,0,0,0|1,0,0]=4 22824 B13R1.16 C/C=C/COc1cccc(c1Br)Br 34a_100010187966_100102629194 [0,3,0,0,0,0|0,0,0]=3 22825 B13R1.16 C/C=C/COc1cccc(c1Br)Br 7a_100010187966_100102629194 [0,3,0,0,0,0|0,0,0]=3 22826 B13R1.16 C/C=C/COc1cccc(c1Br)C 34a_100000686692_100102629194 [0,3,0,0,0,0|0,0,0]=3 22827 B13R1.16 C/C=C/COc1cccc(c1Br)C 7a_100000686692_100102629194 [0,3,0,0,0,0|0,0,0]=3 22828 B13R1.16 C/C=C/COc1cccc(c1Br)Cl 34a_100012348804_100102629194 [0,3,0,0,0,0|0,0,0]=3 22829 B13R1.16 C/C=C/COc1cccc(c1Br)Cl 7a_100012348804_100102629194 [0,3,0,0,0,0|0,0,0]=3 22830 B13R1.16 C/C=C/COc1cccc(c1Br)F 34a_100009820682_100102629194 [0,3,0,0,0,0|0,0,0]=3 22831 B13R1.16 C/C=C/COc1cccc(c1Br)F 7a_100009820682_100102629194 [0,3,0,0,0,0|0,0,0]=3 22832 B13R1.16 C/C=C/COc1cccc(c1Br)I 34a_100010187914_100102629194 [0,3,0,0,0,0|0,0,0]=3 22833 B13R1.16 C/C=C/COc1cccc(c1Br)I 7a_100010187914_100102629194 [0,3,0,0,0,0|0,0,0]=3 22834 B13R1.16 C/C=C/COc1cccc(c1Br)N 34a_100012183704_100102629194 [0,3,0,0,0,0|0,0,0]=3 22835 B13R1.16 C/C=C/COc1cccc(c1Br)N 7a_100012183704_100102629194 [0,3,0,0,0,0|0,0,0]=3 22836 B13R1.16 C/C=C/COc1cccc(c1C)Br 34a_100012002258_100102629194 [0,3,0,0,0,0|0,0,0]=3 22837 B13R1.16 C/C=C/COc1cccc(c1C)Br 7a_100012002258_100102629194 [0,3,0,0,0,0|0,0,0]=3 22838 B13R1.16 C/C=C/COc1cccc(c1C)C 34a_100000185855_100102629194 [0,3,0,0,0,0|0,0,0]=3 22839 B13R1.16 C/C=C/COc1cccc(c1C)C 7a_100000185855_100102629194 [0,3,0,0,0,0|0,0,0]=3 22840 B13R1.16 C/C=C/COc1cccc(c1C)Cl 34a_100011265684_100102629194 [0,3,0,0,0,0|0,0,0]=3 22841 B13R1.16 C/C=C/COc1cccc(c1C)Cl 7a_100011265684_100102629194 [0,3,0,0,0,0|0,0,0]=3 22842 B13R1.16 C/C=C/COc1cccc(c1C)F 34a_100011217231_100102629194 [0,3,0,0,0,0|0,0,0]=3 22843 B13R1.16 C/C=C/COc1cccc(c1C)F 7a_100011217231_100102629194 [0,3,0,0,0,0|0,0,0]=3 22844 B13R1.16 C/C=C/COc1cccc(c1C)N 34a_100011216573_100102629194 [0,3,0,0,0,0|0,0,0]=3 22845 B13R1.16 C/C=C/COc1cccc(c1C)N 7a_100011216573_100102629194 [0,3,0,0,0,0|0,0,0]=3 22846 B13R1.16 C/C=C/COc1cccc(c1Cl)Br 34a_100010187913_100102629194 [0,3,0,0,0,0|0,0,0]=3 22847 B13R1.16 C/C=C/COc1cccc(c1Cl)Br 7a_100010187913_100102629194 [0,3,0,0,0,0|0,0,0]=3 22848 B13R1.16 C/C=C/COc1cccc(c1Cl)C 34a_100000695629_100102629194 [0,3,0,0,0,0|0,0,0]=3 22849 B13R1.16 C/C=C/COc1cccc(c1Cl)C 7a_100000695629_100102629194 [0,3,0,0,0,0|0,0,0]=3 22850 B13R1.16 C/C=C/COc1cccc(c1Cl)Cl 34a_100000211076_100102629194 [0,3,0,0,0,0|0,0,0]=3 22851 B13R1.16 C/C=C/COc1cccc(c1Cl)Cl 7a_100000211076_100102629194 [0,3,0,0,0,0|0,0,0]=3 22852 B13R1.16 C/C=C/COc1cccc(c1Cl)F 34a_100000087408_100102629194 [0,3,0,0,0,0|0,0,0]=3 22853 B13R1.16 C/C=C/COc1cccc(c1Cl)F 7a_100000087408_100102629194 [0,3,0,0,0,0|0,0,0]=3 22854 B13R1.16 C/C=C/COc1cccc(c1Cl)I 34a_100000049636_100102629194 [0,3,0,0,0,0|0,0,0]=3 22855 B13R1.16 C/C=C/COc1cccc(c1Cl)I 7a_100000049636_100102629194 [0,3,0,0,0,0|0,0,0]=3 22856 B13R1.16 C/C=C/COc1cccc(c1Cl)N 34a_100012002038_100102629194 [0,3,0,0,0,0|0,0,0]=3 22857 B13R1.16 C/C=C/COc1cccc(c1Cl)N 7a_100012002038_100102629194 [0,3,0,0,0,0|0,0,0]=3 22858 B13R1.16 C/C=C/COc1cccc(c1F)Br 34a_100009817021_100102629194 [0,3,0,0,0,0|0,0,0]=3 22859 B13R1.16 C/C=C/COc1cccc(c1F)Br 7a_100009817021_100102629194 [0,3,0,0,0,0|0,0,0]=3 22860 B13R1.16 C/C=C/COc1cccc(c1F)C 34a_100000751311_100102629194 [0,3,0,0,0,0|0,0,0]=3 22861 B13R1.16 C/C=C/COc1cccc(c1F)C 7a_100000751311_100102629194 [0,3,0,0,0,0|0,0,0]=3 22862 B13R1.16 C/C=C/COc1cccc(c1F)Cl 34a_100000687438_100102629194 [0,3,0,0,0,0|0,0,0]=3 22863 B13R1.16 C/C=C/COc1cccc(c1F)Cl 7a_100000687438_100102629194 [0,3,0,0,0,0|0,0,0]=3 22864 B13R1.16 C/C=C/COc1cccc(c1F)F 34a_100000751161_100102629194 [0,3,0,0,0,0|0,0,0]=3 22865 B13R1.16 C/C=C/COc1cccc(c1F)F 7a_100000751161_100102629194 [0,3,0,0,0,0|0,0,0]=3 22866 B13R1.16 C/C=C/COc1cccc(c1I)Br 34a_100010187912_100102629194 [0,3,0,0,0,0|0,0,0]=3 22867 B13R1.16 C/C=C/COc1cccc(c1I)Br 7a_100010187912_100102629194 [0,3,0,0,0,0|0,0,0]=3 22868 B13R1.16 C/C=C/COc1cccc(c1I)C 34a_100010083724_100102629194 [0,3,0,0,0,0|0,0,0]=3 22869 B13R1.16 C/C=C/COc1cccc(c1I)C 7a_100010083724_100102629194 [0,3,0,0,0,0|0,0,0]=3 22870 B13R1.16 C/C=C/COc1cccc(c1I)Cl 34a_100000050174_100102629194 [0,3,0,0,0,0|0,0,0]=3 22871 B13R1.16 C/C=C/COc1cccc(c1I)Cl 7a_100000050174_100102629194 [0,3,0,0,0,0|0,0,0]=3 22872 B13R1.16 C/C=C/COc1cccc(c1I)F 34a_100000690913_100102629194 [0,3,0,0,0,0|0,0,0]=3 22873 B13R1.16 C/C=C/COc1cccc(c1I)F 7a_100000690913_100102629194 [0,3,0,0,0,0|0,0,0]=3 22874 B13R1.16 C/C=C/COc1cccc(c1N)Br 34a_100011934926_100102629194 [0,3,0,0,0,0|0,0,0]=3 22875 B13R1.16 C/C=C/COc1cccc(c1N)Br 7a_100011934926_100102629194 [0,3,0,0,0,0|0,0,0]=3 22876 B13R1.16 C/C=C/COc1cccc(c1N)C 34a_100000743429_100102629194 [0,3,0,0,0,0|0,0,0]=3 22877 B13R1.16 C/C=C/COc1cccc(c1N)C 7a_100000743429_100102629194 [0,3,0,0,0,0|0,0,0]=3 22878 B13R1.16 C/C=C/COc1cccc(c1N)Cl 34a_100012022510_100102629194 [0,3,0,0,0,0|0,0,0]=3 22879 B13R1.16 C/C=C/COc1cccc(c1N)Cl 7a_100012022510_100102629194 [0,3,0,0,0,0|0,0,0]=3 22880 B13R1.16 C/C=C/COc1cccc(c1N)F 34a_100020591140_100102629194 [0,3,0,0,0,0|0,0,0]=3 22881 B13R1.16 C/C=C/COc1cccc(c1N)F 7a_100020591140_100102629194 [0,3,0,0,0,0|0,0,0]=3 22882 B13R1.16 C/C=C/COc1cccc(c1N)I 34a_200000049512_100102629194 [0,3,0,0,0,0|0,0,0]=3 22883 B13R1.16 C/C=C/COc1cccc(c1N)I 7a_200000049512_100102629194 [0,3,0,0,0,0|0,0,0]=3 22884 B13R1.16 C/C=C/COc1cccc(c1N)N 34a_100000033209_100102629194 [0,3,0,0,0,0|0,0,0]=3 22885 B13R1.16 C/C=C/COc1cccn(c1=O)C 34a_100000117616_100102629194 [0,3,0,0,0,0|1,0,0]=4 22886 B13R1.16 C/C=C/COc1cccn(c1=O)C 7a_100000117616_100102629194 [0,3,0,0,0,0|1,0,0]=4 22887 B13R1.16 C/C=C/COc1ccnc(c1Br)Cl 34a_100010136240_100102629194 [0,3,0,0,0,0|1,0,0]=4 22888 B13R1.16 C/C=C/COc1ccnc(c1Cl)Cl 34a_100009860235_100102629194 [0,3,0,0,0,0|1,0,0]=4 22889 B13R1.16 C/C=C/COc1ccnc(c1F)Br 34a_100009876375_100102629194 [0,3,0,0,0,0|1,0,0]=4 22890 B13R1.16 C/C=C/COc1ccnc(c1F)Cl 34a_100009856406_100102629194 [0,3,0,0,0,0|1,0,0]=4 22891 B13R1.16 C/C=C/COc1ccnc(c1N)Cl 34a_100000128729_100102629194 [0,3,0,0,0,0|1,0,0]=4 22892 B13R1.16 C/C=C/COc1nccc(c1Br)C 34a_100012000493_100102629194 [0,3,0,0,0,0|1,0,0]=4 22893 B13R1.16 C/C=C/COc1nccc(c1C)Br 34a_100009858498_100102629194 [0,3,0,0,0,0|1,0,0]=4 22894 B13R1.16 C/C=C/COc1nccc(c1Cl)N 34a_200000093555_100102629194 [0,3,0,0,0,0|1,0,0]=4 22895 B13R1.16 C/C=C/CSc1cccc(c1Br)Br 62a_100010175083_100102629194 [0,3,0,0,0,0|0,1,0]=4 22896 B13R1.16 C/C=C/CSc1cccc(c1Br)Br 62a_100102629194_100010175083 [0,3,0,0,0,0|0,1,0]=4 22897 B13R1.16 C/C=C/CSc1cccc(c1Br)C 62a_100012362457_100102629194 [0,3,0,0,0,0|0,1,0]=4 22898 B13R1.16 C/C=C/CSc1cccc(c1Br)C 62a_100102629194_100012362457 [0,3,0,0,0,0|0,1,0]=4 22899 B13R1.16 C/C=C/CSc1cccc(c1Br)Cl 62a_100014021842_100102629194 [0,3,0,0,0,0|0,1,0]=4 22900 B13R1.16 C/C=C/CSc1cccc(c1Br)Cl 62a_100102629194_100014021842 [0,3,0,0,0,0|0,1,0]=4 22901 B13R1.16 C/C=C/CSc1cccc(c1Br)F 62a_100010202630_100102629194 [0,3,0,0,0,0|0,1,0]=4 22902 B13R1.16 C/C=C/CSc1cccc(c1Br)F 62a_100102629194_100010202630 [0,3,0,0,0,0|0,1,0]=4 22903 B13R1.16 C/C=C/CSc1cccc(c1Br)O 62a_100010187914_100102629194 [0,3,0,0,0,0|0,1,0]=4 22904 B13R1.16 C/C=C/CSc1cccc(c1Br)O 62a_100102629194_100010187914 [0,3,0,0,0,0|0,1,0]=4 22905 B13R1.16 C/C=C/CSc1cccc(c1C)Br 62a_100012353703_100102629194 [0,3,0,0,0,0|0,1,0]=4 22906 B13R1.16 C/C=C/CSc1cccc(c1C)Br 62a_100102629194_100012353703 [0,3,0,0,0,0|0,1,0]=4 22907 B13R1.16 C/C=C/CSc1cccc(c1C)C 62a_100011214922_100102629194 [0,3,0,0,0,0|0,1,0]=4 22908 B13R1.16 C/C=C/CSc1cccc(c1C)C 62a_100102629194_100011214922 [0,3,0,0,0,0|0,1,0]=4 22909 B13R1.16 C/C=C/CSc1cccc(c1C)Cl 62a_100000726075_100102629194 [0,3,0,0,0,0|0,1,0]=4 22910 B13R1.16 C/C=C/CSc1cccc(c1C)Cl 62a_100102629194_100000726075 [0,3,0,0,0,0|0,1,0]=4 22911 B13R1.16 C/C=C/CSc1cccc(c1C)F 62a_100011216893_100102629194 [0,3,0,0,0,0|0,1,0]=4 22912 B13R1.16 C/C=C/CSc1cccc(c1C)F 62a_100102629194_100011216893 [0,3,0,0,0,0|0,1,0]=4 22913 B13R1.16 C/C=C/CSc1cccc(c1C)N 62a_100000761887_100102629194 [0,3,0,0,0,0|0,1,0]=4 22914 B13R1.16 C/C=C/CSc1cccc(c1C)N 62a_100102629194_100000761887 [0,3,0,0,0,0|0,1,0]=4 22915 B13R1.16 C/C=C/CSc1cccc(c1C)O 62a_100012002258_100102629194 [0,3,0,0,0,0|0,1,0]=4 22916 B13R1.16 C/C=C/CSc1cccc(c1C)O 62a_100102629194_100012002258 [0,3,0,0,0,0|0,1,0]=4 22917 B13R1.16 C/C=C/CSc1cccc(c1Cl)Br 62a_100010142854_100102629194 [0,3,0,0,0,0|0,1,0]=4 22918 B13R1.16 C/C=C/CSc1cccc(c1Cl)Br 62a_100102629194_100010142854 [0,3,0,0,0,0|0,1,0]=4 22919 B13R1.16 C/C=C/CSc1cccc(c1Cl)C 62a_100102629194_200012352035 [0,3,0,0,0,0|0,1,0]=4 22920 B13R1.16 C/C=C/CSc1cccc(c1Cl)C 62a_200012352035_100102629194 [0,3,0,0,0,0|0,1,0]=4 22921 B13R1.16 C/C=C/CSc1cccc(c1Cl)Cl 62a_100011215384_100102629194 [0,3,0,0,0,0|0,1,0]=4 22922 B13R1.16 C/C=C/CSc1cccc(c1Cl)Cl 62a_100102629194_100011215384 [0,3,0,0,0,0|0,1,0]=4 22923 B13R1.16 C/C=C/CSc1cccc(c1Cl)F 62a_100102629194_200010234923 [0,3,0,0,0,0|0,1,0]=4 22924 B13R1.16 C/C=C/CSc1cccc(c1Cl)F 62a_200010234923_100102629194 [0,3,0,0,0,0|0,1,0]=4 22925 B13R1.16 C/C=C/CSc1cccc(c1Cl)O 62a_100102629194_100000049636 [0,3,0,0,0,0|0,1,0]=4 22926 B13R1.16 C/C=C/CSc1cccc(c1F)Br 62a_100000702267_100102629194 [0,3,0,0,0,0|0,1,0]=4 22927 B13R1.16 C/C=C/CSc1cccc(c1F)Br 62a_100102629194_100000702267 [0,3,0,0,0,0|0,1,0]=4 22928 B13R1.16 C/C=C/CSc1cccc(c1F)C 62a_100000717567_100102629194 [0,3,0,0,0,0|0,1,0]=4 22929 B13R1.16 C/C=C/CSc1cccc(c1F)C 62a_100102629194_100000717567 [0,3,0,0,0,0|0,1,0]=4 22930 B13R1.16 C/C=C/CSc1cccc(c1F)Cl 62a_100011217346_100102629194 [0,3,0,0,0,0|0,1,0]=4 22931 B13R1.16 C/C=C/CSc1cccc(c1F)Cl 62a_100102629194_100011217346 [0,3,0,0,0,0|0,1,0]=4 22932 B13R1.16 C/C=C/CSc1cccc(c1F)F 62a_100000694657_100102629194 [0,3,0,0,0,0|0,1,0]=4 22933 B13R1.16 C/C=C/CSc1cccc(c1F)F 62a_100102629194_100000694657 [0,3,0,0,0,0|0,1,0]=4 22934 B13R1.16 C/C=C/CSc1cccc(c1F)N 62a_100011935091_100102629194 [0,3,0,0,0,0|0,1,0]=4 22935 B13R1.16 C/C=C/CSc1cccc(c1F)N 62a_100102629194_100011935091 [0,3,0,0,0,0|0,1,0]=4 22936 B13R1.16 C/C=C/CSc1cccc(c1F)O 62a_100009817021_100102629194 [0,3,0,0,0,0|0,1,0]=4 22937 B13R1.16 C/C=C/CSc1cccc(c1F)O 62a_100102629194_100009817021 [0,3,0,0,0,0|0,1,0]=4 22938 B13R1.16 C/C=C/CSc1cccc(c1N)Br 62a_100010146558_100102629194 [0,3,0,0,0,0|0,1,0]=4 22939 B13R1.16 C/C=C/CSc1cccc(c1N)Br 62a_100102629194_100010146558 [0,3,0,0,0,0|0,1,0]=4 22940 B13R1.16 C/C=C/CSc1cccc(c1N)C 62a_100011834072_100102629194 [0,3,0,0,0,0|0,1,0]=4 22941 B13R1.16 C/C=C/CSc1cccc(c1N)C 62a_100102629194_100011834072 [0,3,0,0,0,0|0,1,0]=4 22942 B13R1.16 C/C=C/CSc1cccc(c1N)Cl 62a_100010190421_100102629194 [0,3,0,0,0,0|0,1,0]=4 22943 B13R1.16 C/C=C/CSc1cccc(c1N)Cl 62a_100102629194_100010190421 [0,3,0,0,0,0|0,1,0]=4 22944 B13R1.16 C/C=C/CSc1cccc(c1N)F 62a_100000042321_100102629194 [0,3,0,0,0,0|0,1,0]=4 22945 B13R1.16 C/C=C/CSc1cccc(c1N)F 62a_100102629194_100000042321 [0,3,0,0,0,0|0,1,0]=4 22946 B13R1.16 C/C=C/CSc1cccc(c1N)N 62a_100015191791_100102629194 [0,3,0,0,0,0|0,1,0]=4 22947 B13R1.16 C/C=C/CSc1cccc(c1N)O 62a_100102629194_100011934926 [0,3,0,0,0,0|0,1,0]=4 22948 B13R1.16 C/C=C/CSc1cccc(c1O)Br 62a_100010084509_100102629194 [0,3,0,0,0,0|0,1,0]=4 22949 B13R1.16 C/C=C/CSc1cccc(c1O)Br 62a_100102629194_100010084509 [0,3,0,0,0,0|0,1,0]=4 22950 B13R1.16 C/C=C/CSc1cccc(c1O)C 62a_100009817157_100102629194 [0,3,0,0,0,0|0,1,0]=4 22951 B13R1.16 C/C=C/CSc1cccc(c1O)C 62a_100102629194_100009817157 [0,3,0,0,0,0|0,1,0]=4 22952 B13R1.16 C/C=C/CSc1cccc(c1O)Cl 62a_100010202889_100102629194 [0,3,0,0,0,0|0,1,0]=4 22953 B13R1.16 C/C=C/CSc1cccc(c1O)Cl 62a_100102629194_100010202889 [0,3,0,0,0,0|0,1,0]=4 22954 B13R1.16 C/C=C/CSc1cccc(c1O)F 62a_100009813666_100102629194 [0,3,0,0,0,0|0,1,0]=4 22955 B13R1.16 C/C=C/CSc1cccc(c1O)F 62a_100102629194_100009813666 [0,3,0,0,0,0|0,1,0]=4 22956 B13R1.16 C/C=C/CSc1cccc(c1O)N 62a_100011934915_100102629194 [0,3,0,0,0,0|0,1,0]=4 22957 B13R1.16 C/C=C/CSc1cccc(c1O)N 62a_100102629194_100010084371 [0,3,0,0,0,0|0,1,0]=4 22958 B13R1.16 C/C=C/CSc1cccc(c1O)O 62a_100102629194_100009815950 [0,3,0,0,0,0|0,1,0]=4 22959 B13R1.16 C=CCCNc1cccc(c1Br)C 34a_100000684715_100000754431 [0,3,0,0,0,0|1,0,0]=4 22960 B13R1.16 C=CCCNc1cccc(c1Br)Cl 34a_100000687072_100000754431 [0,3,0,0,0,0|1,0,0]=4 22961 B13R1.16 C=CCCNc1cccc(c1Br)F 34a_100011934729_100000754431 [0,3,0,0,0,0|1,0,0]=4 22962 B13R1.16 C=CCCNc1cccc(c1Br)O 34a_100012183704_100000754431 [0,3,0,0,0,0|1,0,0]=4 22963 B13R1.16 C=CCCNc1cccc(c1Br)O 7a_100012183704_100000754431 [0,3,0,0,0,0|1,0,0]=4 22964 B13R1.16 C=CCCNc1cccc(c1C)Br 34a_100000750434_100000754431 [0,3,0,0,0,0|1,0,0]=4 22965 B13R1.16 C=CCCNc1cccc(c1C)C 2230a_100000210026_100000754431 [0,3,0,0,0,0|1,0,0]=4 22966 B13R1.16 C=CCCNc1cccc(c1C)C 34a_100000210026_100000754431 [0,3,0,0,0,0|1,0,0]=4 22967 B13R1.16 C=CCCNc1cccc(c1C)C 7a_100000210026_100000754431 [0,3,0,0,0,0|1,0,0]=4 22968 B13R1.16 C=CCCNc1cccc(c1C)Cl 2230a_100000210441_100000754431 [0,3,0,0,0,0|1,0,0]=4 22969 B13R1.16 C=CCCNc1cccc(c1C)Cl 34a_100000210441_100000754431 [0,3,0,0,0,0|1,0,0]=4 22970 B13R1.16 C=CCCNc1cccc(c1C)Cl 7a_100000210441_100000754431 [0,3,0,0,0,0|1,0,0]=4 22971 B13R1.16 C=CCCNc1cccc(c1C)F 34a_100000745574_100000754431 [0,3,0,0,0,0|1,0,0]=4 22972 B13R1.16 C=CCCNc1cccc(c1C)F 7a_100000745574_100000754431 [0,3,0,0,0,0|1,0,0]=4 22973 B13R1.16 C=CCCNc1cccc(c1C)I 34a_100000761887_100000754431 [0,3,0,0,0,0|1,0,0]=4 22974 B13R1.16 C=CCCNc1cccc(c1C)O 34a_100011216573_100000754431 [0,3,0,0,0,0|1,0,0]=4 22975 B13R1.16 C=CCCNc1cccc(c1C)O 7a_100011216573_100000754431 [0,3,0,0,0,0|1,0,0]=4 22976 B13R1.16 C=CCCNc1cccc(c1Cl)Br 34a_100000687075_100000754431 [0,3,0,0,0,0|1,0,0]=4 22977 B13R1.16 C=CCCNc1cccc(c1Cl)C 34a_100000765562_100000754431 [0,3,0,0,0,0|1,0,0]=4 22978 B13R1.16 C=CCCNc1cccc(c1Cl)C 7a_100000765562_100000754431 [0,3,0,0,0,0|1,0,0]=4 22979 B13R1.16 C=CCCNc1cccc(c1Cl)Cl 34a_100000185733_100000754431 [0,3,0,0,0,0|1,0,0]=4 22980 B13R1.16 C=CCCNc1cccc(c1Cl)F 34a_100000692321_100000754431 [0,3,0,0,0,0|1,0,0]=4 22981 B13R1.16 C=CCCNc1cccc(c1Cl)O 34a_100012002038_100000754431 [0,3,0,0,0,0|1,0,0]=4 22982 B13R1.16 C=CCCNc1cccc(c1Cl)O 7a_100012002038_100000754431 [0,3,0,0,0,0|1,0,0]=4 22983 B13R1.16 C=CCCNc1cccc(c1F)Br 2230a_100011935091_100000754431 [0,3,0,0,0,0|1,0,0]=4 22984 B13R1.16 C=CCCNc1cccc(c1F)Br 34a_100011935091_100000754431 [0,3,0,0,0,0|1,0,0]=4 22985 B13R1.16 C=CCCNc1cccc(c1F)C 2230a_100000697159_100000754431 [0,3,0,0,0,0|1,0,0]=4 22986 B13R1.16 C=CCCNc1cccc(c1F)C 34a_100000697159_100000754431 [0,3,0,0,0,0|1,0,0]=4 22987 B13R1.16 C=CCCNc1cccc(c1F)C 7a_100000697159_100000754431 [0,3,0,0,0,0|1,0,0]=4 22988 B13R1.16 C=CCCNc1cccc(c1F)Cl 2230a_100000199060_100000754431 [0,3,0,0,0,0|1,0,0]=4 22989 B13R1.16 C=CCCNc1cccc(c1F)Cl 34a_100000199060_100000754431 [0,3,0,0,0,0|1,0,0]=4 22990 B13R1.16 C=CCCNc1cccc(c1F)F 34a_100000743855_100000754431 [0,3,0,0,0,0|1,0,0]=4 22991 B13R1.16 C=CCCNc1cccc(c1I)Br 34a_100020590159_100000754431 [0,3,0,0,0,0|1,0,0]=4 22992 B13R1.16 C=CCCNc1cccc(c1I)C 34a_100000761888_100000754431 [0,3,0,0,0,0|1,0,0]=4 22993 B13R1.16 C=CCCNc1cccc(c1I)Cl 34a_100000049713_100000754431 [0,3,0,0,0,0|1,0,0]=4 22994 B13R1.16 C=CCCNc1cccc(c1I)F 34a_100000690935_100000754431 [0,3,0,0,0,0|1,0,0]=4 22995 B13R1.16 C=CCCNc1cccc(c1O)Br 34a_100011934915_100000754431 [0,3,0,0,0,0|1,0,0]=4 22996 B13R1.16 C=CCCNc1cccc(c1O)C 34a_100000756359_100000754431 [0,3,0,0,0,0|1,0,0]=4 22997 B13R1.16 C=CCCNc1cccc(c1O)Cl 34a_100000754742_100000754431 [0,3,0,0,0,0|1,0,0]=4 22998 B13R1.16 C=CCCNc1cccc(c1O)F 34a_100011934987_100000754431 [0,3,0,0,0,0|1,0,0]=4 22999 B13R1.16 C=CCCOc1cccc(c1Br)Br 34a_100010187966_100000754431 [0,3,0,0,0,0|0,0,0]=3 23000 B13R1.16 C=CCCOc1cccc(c1Br)Br 7a_100010187966_100000754431 [0,3,0,0,0,0|0,0,0]=3 23001 B13R1.16 C=CCCOc1cccc(c1Br)C 34a_100000686692_100000754431 [0,3,0,0,0,0|0,0,0]=3 23002 B13R1.16 C=CCCOc1cccc(c1Br)C 7a_100000686692_100000754431 [0,3,0,0,0,0|0,0,0]=3 23003 B13R1.16 C=CCCOc1cccc(c1Br)Cl 34a_100012348804_100000754431 [0,3,0,0,0,0|0,0,0]=3 23004 B13R1.16 C=CCCOc1cccc(c1Br)Cl 7a_100012348804_100000754431 [0,3,0,0,0,0|0,0,0]=3 23005 B13R1.16 C=CCCOc1cccc(c1Br)F 34a_100009820682_100000754431 [0,3,0,0,0,0|0,0,0]=3 23006 B13R1.16 C=CCCOc1cccc(c1Br)F 7a_100009820682_100000754431 [0,3,0,0,0,0|0,0,0]=3 23007 B13R1.16 C=CCCOc1cccc(c1Br)I 34a_100010187914_100000754431 [0,3,0,0,0,0|0,0,0]=3 23008 B13R1.16 C=CCCOc1cccc(c1Br)I 7a_100010187914_100000754431 [0,3,0,0,0,0|0,0,0]=3 23009 B13R1.16 C=CCCOc1cccc(c1Br)N 34a_100012183704_100000754431 [0,3,0,0,0,0|0,0,0]=3 23010 B13R1.16 C=CCCOc1cccc(c1Br)N 7a_100012183704_100000754431 [0,3,0,0,0,0|0,0,0]=3 23011 B13R1.16 C=CCCOc1cccc(c1C)Br 34a_100012002258_100000754431 [0,3,0,0,0,0|0,0,0]=3 23012 B13R1.16 C=CCCOc1cccc(c1C)Br 7a_100012002258_100000754431 [0,3,0,0,0,0|0,0,0]=3 23013 B13R1.16 C=CCCOc1cccc(c1C)C 34a_100000185855_100000754431 [0,3,0,0,0,0|0,0,0]=3 23014 B13R1.16 C=CCCOc1cccc(c1C)C 7a_100000185855_100000754431 [0,3,0,0,0,0|0,0,0]=3 23015 B13R1.16 C=CCCOc1cccc(c1C)Cl 34a_100011265684_100000754431 [0,3,0,0,0,0|0,0,0]=3 23016 B13R1.16 C=CCCOc1cccc(c1C)Cl 7a_100011265684_100000754431 [0,3,0,0,0,0|0,0,0]=3 23017 B13R1.16 C=CCCOc1cccc(c1C)F 34a_100011217231_100000754431 [0,3,0,0,0,0|0,0,0]=3 23018 B13R1.16 C=CCCOc1cccc(c1C)F 7a_100011217231_100000754431 [0,3,0,0,0,0|0,0,0]=3 23019 B13R1.16 C=CCCOc1cccc(c1C)N 34a_100011216573_100000754431 [0,3,0,0,0,0|0,0,0]=3 23020 B13R1.16 C=CCCOc1cccc(c1C)N 7a_100011216573_100000754431 [0,3,0,0,0,0|0,0,0]=3 23021 B13R1.16 C=CCCOc1cccc(c1Cl)Br 34a_100010187913_100000754431 [0,3,0,0,0,0|0,0,0]=3 23022 B13R1.16 C=CCCOc1cccc(c1Cl)Br 7a_100010187913_100000754431 [0,3,0,0,0,0|0,0,0]=3 23023 B13R1.16 C=CCCOc1cccc(c1Cl)C 34a_100000695629_100000754431 [0,3,0,0,0,0|0,0,0]=3 23024 B13R1.16 C=CCCOc1cccc(c1Cl)C 7a_100000695629_100000754431 [0,3,0,0,0,0|0,0,0]=3 23025 B13R1.16 C=CCCOc1cccc(c1Cl)Cl 34a_100000211076_100000754431 [0,3,0,0,0,0|0,0,0]=3 23026 B13R1.16 C=CCCOc1cccc(c1Cl)Cl 7a_100000211076_100000754431 [0,3,0,0,0,0|0,0,0]=3 23027 B13R1.16 C=CCCOc1cccc(c1Cl)F 34a_100000087408_100000754431 [0,3,0,0,0,0|0,0,0]=3 23028 B13R1.16 C=CCCOc1cccc(c1Cl)F 7a_100000087408_100000754431 [0,3,0,0,0,0|0,0,0]=3 23029 B13R1.16 C=CCCOc1cccc(c1Cl)I 34a_100000049636_100000754431 [0,3,0,0,0,0|0,0,0]=3 23030 B13R1.16 C=CCCOc1cccc(c1Cl)I 7a_100000049636_100000754431 [0,3,0,0,0,0|0,0,0]=3 23031 B13R1.16 C=CCCOc1cccc(c1Cl)N 34a_100012002038_100000754431 [0,3,0,0,0,0|0,0,0]=3 23032 B13R1.16 C=CCCOc1cccc(c1Cl)N 7a_100012002038_100000754431 [0,3,0,0,0,0|0,0,0]=3 23033 B13R1.16 C=CCCOc1cccc(c1F)Br 34a_100009817021_100000754431 [0,3,0,0,0,0|0,0,0]=3 23034 B13R1.16 C=CCCOc1cccc(c1F)Br 7a_100009817021_100000754431 [0,3,0,0,0,0|0,0,0]=3 23035 B13R1.16 C=CCCOc1cccc(c1F)C 34a_100000751311_100000754431 [0,3,0,0,0,0|0,0,0]=3 23036 B13R1.16 C=CCCOc1cccc(c1F)C 7a_100000751311_100000754431 [0,3,0,0,0,0|0,0,0]=3 23037 B13R1.16 C=CCCOc1cccc(c1F)Cl 34a_100000687438_100000754431 [0,3,0,0,0,0|0,0,0]=3 23038 B13R1.16 C=CCCOc1cccc(c1F)Cl 7a_100000687438_100000754431 [0,3,0,0,0,0|0,0,0]=3 23039 B13R1.16 C=CCCOc1cccc(c1F)F 34a_100000751161_100000754431 [0,3,0,0,0,0|0,0,0]=3 23040 B13R1.16 C=CCCOc1cccc(c1F)F 7a_100000751161_100000754431 [0,3,0,0,0,0|0,0,0]=3 23041 B13R1.16 C=CCCOc1cccc(c1I)Br 34a_100010187912_100000754431 [0,3,0,0,0,0|0,0,0]=3 23042 B13R1.16 C=CCCOc1cccc(c1I)Br 7a_100010187912_100000754431 [0,3,0,0,0,0|0,0,0]=3 23043 B13R1.16 C=CCCOc1cccc(c1I)C 34a_100010083724_100000754431 [0,3,0,0,0,0|0,0,0]=3 23044 B13R1.16 C=CCCOc1cccc(c1I)C 7a_100010083724_100000754431 [0,3,0,0,0,0|0,0,0]=3 23045 B13R1.16 C=CCCOc1cccc(c1I)Cl 34a_100000050174_100000754431 [0,3,0,0,0,0|0,0,0]=3 23046 B13R1.16 C=CCCOc1cccc(c1I)Cl 7a_100000050174_100000754431 [0,3,0,0,0,0|0,0,0]=3 23047 B13R1.16 C=CCCOc1cccc(c1I)F 34a_100000690913_100000754431 [0,3,0,0,0,0|0,0,0]=3 23048 B13R1.16 C=CCCOc1cccc(c1I)F 7a_100000690913_100000754431 [0,3,0,0,0,0|0,0,0]=3 23049 B13R1.16 C=CCCOc1cccc(c1N)Br 34a_100011934926_100000754431 [0,3,0,0,0,0|0,0,0]=3 23050 B13R1.16 C=CCCOc1cccc(c1N)Br 7a_100011934926_100000754431 [0,3,0,0,0,0|0,0,0]=3 23051 B13R1.16 C=CCCOc1cccc(c1N)C 34a_100000743429_100000754431 [0,3,0,0,0,0|0,0,0]=3 23052 B13R1.16 C=CCCOc1cccc(c1N)C 7a_100000743429_100000754431 [0,3,0,0,0,0|0,0,0]=3 23053 B13R1.16 C=CCCOc1cccc(c1N)Cl 34a_100012022510_100000754431 [0,3,0,0,0,0|0,0,0]=3 23054 B13R1.16 C=CCCOc1cccc(c1N)Cl 7a_100012022510_100000754431 [0,3,0,0,0,0|0,0,0]=3 23055 B13R1.16 C=CCCOc1cccc(c1N)F 34a_100020591140_100000754431 [0,3,0,0,0,0|0,0,0]=3 23056 B13R1.16 C=CCCOc1cccc(c1N)F 7a_100020591140_100000754431 [0,3,0,0,0,0|0,0,0]=3 23057 B13R1.16 C=CCCOc1cccc(c1N)I 34a_200000049512_100000754431 [0,3,0,0,0,0|0,0,0]=3 23058 B13R1.16 C=CCCOc1cccc(c1N)I 7a_200000049512_100000754431 [0,3,0,0,0,0|0,0,0]=3 23059 B13R1.16 C=CCCOc1cccc(c1N)N 34a_100000033209_100000754431 [0,3,0,0,0,0|0,0,0]=3 23060 B13R1.16 C=CCCOc1cccn(c1=O)C 34a_100000117616_100000754431 [0,3,0,0,0,0|1,0,0]=4 23061 B13R1.16 C=CCCOc1cccn(c1=O)C 7a_100000117616_100000754431 [0,3,0,0,0,0|1,0,0]=4 23062 B13R1.16 C=CCCOc1ccnc(c1Br)Cl 34a_100010136240_100000754431 [0,3,0,0,0,0|1,0,0]=4 23063 B13R1.16 C=CCCOc1ccnc(c1Cl)Cl 34a_100009860235_100000754431 [0,3,0,0,0,0|1,0,0]=4 23064 B13R1.16 C=CCCOc1ccnc(c1F)Br 34a_100009876375_100000754431 [0,3,0,0,0,0|1,0,0]=4 23065 B13R1.16 C=CCCOc1ccnc(c1F)Cl 34a_100009856406_100000754431 [0,3,0,0,0,0|1,0,0]=4 23066 B13R1.16 C=CCCOc1ccnc(c1N)Cl 34a_100000128729_100000754431 [0,3,0,0,0,0|1,0,0]=4 23067 B13R1.16 C=CCCOc1nccc(c1Br)C 34a_100012000493_100000754431 [0,3,0,0,0,0|1,0,0]=4 23068 B13R1.16 C=CCCOc1nccc(c1C)Br 34a_100009858498_100000754431 [0,3,0,0,0,0|1,0,0]=4 23069 B13R1.16 C=CCCOc1nccc(c1Cl)N 34a_200000093555_100000754431 [0,3,0,0,0,0|1,0,0]=4 23070 B13R1.16 C=CCCSc1cccc(c1Br)Br 62a_100000754431_100010175083 [0,3,0,0,0,0|0,1,0]=4 23071 B13R1.16 C=CCCSc1cccc(c1Br)Br 62a_100010175083_100000754431 [0,3,0,0,0,0|0,1,0]=4 23072 B13R1.16 C=CCCSc1cccc(c1Br)C 62a_100000754431_100012362457 [0,3,0,0,0,0|0,1,0]=4 23073 B13R1.16 C=CCCSc1cccc(c1Br)C 62a_100012362457_100000754431 [0,3,0,0,0,0|0,1,0]=4 23074 B13R1.16 C=CCCSc1cccc(c1Br)Cl 62a_100000754431_100014021842 [0,3,0,0,0,0|0,1,0]=4 23075 B13R1.16 C=CCCSc1cccc(c1Br)Cl 62a_100014021842_100000754431 [0,3,0,0,0,0|0,1,0]=4 23076 B13R1.16 C=CCCSc1cccc(c1Br)F 62a_100000754431_100010202630 [0,3,0,0,0,0|0,1,0]=4 23077 B13R1.16 C=CCCSc1cccc(c1Br)F 62a_100010202630_100000754431 [0,3,0,0,0,0|0,1,0]=4 23078 B13R1.16 C=CCCSc1cccc(c1Br)O 62a_100000754431_100010187914 [0,3,0,0,0,0|0,1,0]=4 23079 B13R1.16 C=CCCSc1cccc(c1Br)O 62a_100010187914_100000754431 [0,3,0,0,0,0|0,1,0]=4 23080 B13R1.16 C=CCCSc1cccc(c1C)Br 62a_100000754431_100012353703 [0,3,0,0,0,0|0,1,0]=4 23081 B13R1.16 C=CCCSc1cccc(c1C)Br 62a_100012353703_100000754431 [0,3,0,0,0,0|0,1,0]=4 23082 B13R1.16 C=CCCSc1cccc(c1C)C 62a_100000754431_100011214922 [0,3,0,0,0,0|0,1,0]=4 23083 B13R1.16 C=CCCSc1cccc(c1C)C 62a_100011214922_100000754431 [0,3,0,0,0,0|0,1,0]=4 23084 B13R1.16 C=CCCSc1cccc(c1C)Cl 62a_100000726075_100000754431 [0,3,0,0,0,0|0,1,0]=4 23085 B13R1.16 C=CCCSc1cccc(c1C)Cl 62a_100000754431_100000726075 [0,3,0,0,0,0|0,1,0]=4 23086 B13R1.16 C=CCCSc1cccc(c1C)F 62a_100000754431_100011216893 [0,3,0,0,0,0|0,1,0]=4 23087 B13R1.16 C=CCCSc1cccc(c1C)F 62a_100011216893_100000754431 [0,3,0,0,0,0|0,1,0]=4 23088 B13R1.16 C=CCCSc1cccc(c1C)N 62a_100000754431_100000761887 [0,3,0,0,0,0|0,1,0]=4 23089 B13R1.16 C=CCCSc1cccc(c1C)N 62a_100000761887_100000754431 [0,3,0,0,0,0|0,1,0]=4 23090 B13R1.16 C=CCCSc1cccc(c1C)O 62a_100000754431_100012002258 [0,3,0,0,0,0|0,1,0]=4 23091 B13R1.16 C=CCCSc1cccc(c1C)O 62a_100012002258_100000754431 [0,3,0,0,0,0|0,1,0]=4 23092 B13R1.16 C=CCCSc1cccc(c1Cl)Br 62a_100000754431_100010142854 [0,3,0,0,0,0|0,1,0]=4 23093 B13R1.16 C=CCCSc1cccc(c1Cl)Br 62a_100010142854_100000754431 [0,3,0,0,0,0|0,1,0]=4 23094 B13R1.16 C=CCCSc1cccc(c1Cl)C 62a_100000754431_200012352035 [0,3,0,0,0,0|0,1,0]=4 23095 B13R1.16 C=CCCSc1cccc(c1Cl)C 62a_200012352035_100000754431 [0,3,0,0,0,0|0,1,0]=4 23096 B13R1.16 C=CCCSc1cccc(c1Cl)Cl 62a_100000754431_100011215384 [0,3,0,0,0,0|0,1,0]=4 23097 B13R1.16 C=CCCSc1cccc(c1Cl)Cl 62a_100011215384_100000754431 [0,3,0,0,0,0|0,1,0]=4 23098 B13R1.16 C=CCCSc1cccc(c1Cl)F 62a_100000754431_200010234923 [0,3,0,0,0,0|0,1,0]=4 23099 B13R1.16 C=CCCSc1cccc(c1Cl)F 62a_200010234923_100000754431 [0,3,0,0,0,0|0,1,0]=4 23100 B13R1.16 C=CCCSc1cccc(c1Cl)O 62a_100000754431_100000049636 [0,3,0,0,0,0|0,1,0]=4 23101 B13R1.16 C=CCCSc1cccc(c1F)Br 62a_100000702267_100000754431 [0,3,0,0,0,0|0,1,0]=4 23102 B13R1.16 C=CCCSc1cccc(c1F)Br 62a_100000754431_100000702267 [0,3,0,0,0,0|0,1,0]=4 23103 B13R1.16 C=CCCSc1cccc(c1F)C 62a_100000717567_100000754431 [0,3,0,0,0,0|0,1,0]=4 23104 B13R1.16 C=CCCSc1cccc(c1F)C 62a_100000754431_100000717567 [0,3,0,0,0,0|0,1,0]=4 23105 B13R1.16 C=CCCSc1cccc(c1F)Cl 62a_100000754431_100011217346 [0,3,0,0,0,0|0,1,0]=4 23106 B13R1.16 C=CCCSc1cccc(c1F)Cl 62a_100011217346_100000754431 [0,3,0,0,0,0|0,1,0]=4 23107 B13R1.16 C=CCCSc1cccc(c1F)F 62a_100000694657_100000754431 [0,3,0,0,0,0|0,1,0]=4 23108 B13R1.16 C=CCCSc1cccc(c1F)F 62a_100000754431_100000694657 [0,3,0,0,0,0|0,1,0]=4 23109 B13R1.16 C=CCCSc1cccc(c1F)N 62a_100000754431_100011935091 [0,3,0,0,0,0|0,1,0]=4 23110 B13R1.16 C=CCCSc1cccc(c1F)N 62a_100011935091_100000754431 [0,3,0,0,0,0|0,1,0]=4 23111 B13R1.16 C=CCCSc1cccc(c1F)O 62a_100000754431_100009817021 [0,3,0,0,0,0|0,1,0]=4 23112 B13R1.16 C=CCCSc1cccc(c1F)O 62a_100009817021_100000754431 [0,3,0,0,0,0|0,1,0]=4 23113 B13R1.16 C=CCCSc1cccc(c1N)Br 62a_100000754431_100010146558 [0,3,0,0,0,0|0,1,0]=4 23114 B13R1.16 C=CCCSc1cccc(c1N)Br 62a_100010146558_100000754431 [0,3,0,0,0,0|0,1,0]=4 23115 B13R1.16 C=CCCSc1cccc(c1N)C 62a_100000754431_100011834072 [0,3,0,0,0,0|0,1,0]=4 23116 B13R1.16 C=CCCSc1cccc(c1N)C 62a_100011834072_100000754431 [0,3,0,0,0,0|0,1,0]=4 23117 B13R1.16 C=CCCSc1cccc(c1N)Cl 62a_100000754431_100010190421 [0,3,0,0,0,0|0,1,0]=4 23118 B13R1.16 C=CCCSc1cccc(c1N)Cl 62a_100010190421_100000754431 [0,3,0,0,0,0|0,1,0]=4 23119 B13R1.16 C=CCCSc1cccc(c1N)F 62a_100000042321_100000754431 [0,3,0,0,0,0|0,1,0]=4 23120 B13R1.16 C=CCCSc1cccc(c1N)F 62a_100000754431_100000042321 [0,3,0,0,0,0|0,1,0]=4 23121 B13R1.16 C=CCCSc1cccc(c1N)N 62a_100015191791_100000754431 [0,3,0,0,0,0|0,1,0]=4 23122 B13R1.16 C=CCCSc1cccc(c1N)O 62a_100000754431_100011934926 [0,3,0,0,0,0|0,1,0]=4 23123 B13R1.16 C=CCCSc1cccc(c1O)Br 62a_100000754431_100010084509 [0,3,0,0,0,0|0,1,0]=4 23124 B13R1.16 C=CCCSc1cccc(c1O)Br 62a_100010084509_100000754431 [0,3,0,0,0,0|0,1,0]=4 23125 B13R1.16 C=CCCSc1cccc(c1O)C 62a_100000754431_100009817157 [0,3,0,0,0,0|0,1,0]=4 23126 B13R1.16 C=CCCSc1cccc(c1O)C 62a_100009817157_100000754431 [0,3,0,0,0,0|0,1,0]=4 23127 B13R1.16 C=CCCSc1cccc(c1O)Cl 62a_100000754431_100010202889 [0,3,0,0,0,0|0,1,0]=4 23128 B13R1.16 C=CCCSc1cccc(c1O)Cl 62a_100010202889_100000754431 [0,3,0,0,0,0|0,1,0]=4 23129 B13R1.16 C=CCCSc1cccc(c1O)F 62a_100000754431_100009813666 [0,3,0,0,0,0|0,1,0]=4 23130 B13R1.16 C=CCCSc1cccc(c1O)F 62a_100009813666_100000754431 [0,3,0,0,0,0|0,1,0]=4 23131 B13R1.16 C=CCCSc1cccc(c1O)N 62a_100000754431_100010084371 [0,3,0,0,0,0|0,1,0]=4 23132 B13R1.16 C=CCCSc1cccc(c1O)N 62a_100011934915_100000754431 [0,3,0,0,0,0|0,1,0]=4 23133 B13R1.16 C=CCCSc1cccc(c1O)O 62a_100000754431_100009815950 [0,3,0,0,0,0|0,1,0]=4 23134 B13R1.16 C=CCNCc1cccc(c1Br)Br 270004a_100020586998_100010240334 [0,3,0,0,0,0|1,0,0]=4 23135 B13R1.16 C=CCNCc1cccc(c1Br)C 2230a_100020586998_200012349612 [0,3,0,0,0,0|1,0,0]=4 23136 B13R1.16 C=CCNCc1cccc(c1Br)C 270004a_100020586998_100012186367 [0,3,0,0,0,0|1,0,0]=4 23137 B13R1.16 C=CCNCc1cccc(c1Br)Cl 2230a_100020586998_100010145525 [0,3,0,0,0,0|1,0,0]=4 23138 B13R1.16 C=CCNCc1cccc(c1Br)Cl 270004a_100020586998_100010232083 [0,3,0,0,0,0|1,0,0]=4 23139 B13R1.16 C=CCNCc1cccc(c1Br)F 2230a_100020586998_100012351116 [0,3,0,0,0,0|1,0,0]=4 23140 B13R1.16 C=CCNCc1cccc(c1Br)F 2230a_100020638964_100000210623 [0,3,0,0,0,0|1,0,0]=4 23141 B13R1.16 C=CCNCc1cccc(c1Br)F 270004a_100020586998_100011934749 [0,3,0,0,0,0|1,0,0]=4 23142 B13R1.16 C=CCNCc1cccc(c1Br)F 34a_100020638964_100015514636 [0,3,0,0,0,0|1,0,0]=4 23143 B13R1.16 C=CCNCc1cccc(c1Br)I 2230a_100020586998_100010254545 [0,3,0,0,0,0|1,0,0]=4 23144 B13R1.16 C=CCNCc1cccc(c1C)Br 2230a_100020586998_100000694682 [0,3,0,0,0,0|1,0,0]=4 23145 B13R1.16 C=CCNCc1cccc(c1C)Br 270004a_100020586998_100012179384 [0,3,0,0,0,0|1,0,0]=4 23146 B13R1.16 C=CCNCc1cccc(c1C)Br 34a_100000724210_100015514636 [0,3,0,0,0,0|1,0,0]=4 23147 B13R1.16 C=CCNCc1cccc(c1C)C 2230a_100011211637_100000210623 [0,3,0,0,0,0|1,0,0]=4 23148 B13R1.16 C=CCNCc1cccc(c1C)C 2230a_100020586998_100011515928 [0,3,0,0,0,0|1,0,0]=4 23149 B13R1.16 C=CCNCc1cccc(c1C)C 270004a_100020586998_100000229941 [0,3,0,0,0,0|1,0,0]=4 23150 B13R1.16 C=CCNCc1cccc(c1C)C 34a_100011211637_100015514636 [0,3,0,0,0,0|1,0,0]=4 23151 B13R1.16 C=CCNCc1cccc(c1C)Cl 2230a_100020586998_100012186920 [0,3,0,0,0,0|1,0,0]=4 23152 B13R1.16 C=CCNCc1cccc(c1C)Cl 2230a_100020639605_100000210623 [0,3,0,0,0,0|1,0,0]=4 23153 B13R1.16 C=CCNCc1cccc(c1C)Cl 270004a_100020586998_100012002129 [0,3,0,0,0,0|1,0,0]=4 23154 B13R1.16 C=CCNCc1cccc(c1C)Cl 34a_100020639605_100015514636 [0,3,0,0,0,0|1,0,0]=4 23155 B13R1.16 C=CCNCc1cccc(c1C)F 2230a_100020586998_100009813626 [0,3,0,0,0,0|1,0,0]=4 23156 B13R1.16 C=CCNCc1cccc(c1C)F 2230a_100132306986_100000210623 [0,3,0,0,0,0|1,0,0]=4 23157 B13R1.16 C=CCNCc1cccc(c1C)F 270004a_100020586998_100000037668 [0,3,0,0,0,0|1,0,0]=4 23158 B13R1.16 C=CCNCc1cccc(c1C)F 34a_100132306986_100015514636 [0,3,0,0,0,0|1,0,0]=4 23159 B13R1.16 C=CCNCc1cccc(c1C)I 2230a_100020586998_100010150147 [0,3,0,0,0,0|1,0,0]=4 23160 B13R1.16 C=CCNCc1cccc(c1C)O 270004a_100020586998_100009868165 [0,3,0,0,0,0|1,0,0]=4 23161 B13R1.16 C=CCNCc1cccc(c1Cl)Br 2230a_100020586998_100012349491 [0,3,0,0,0,0|1,0,0]=4 23162 B13R1.16 C=CCNCc1cccc(c1Cl)Br 270004a_100020586998_100012362481 [0,3,0,0,0,0|1,0,0]=4 23163 B13R1.16 C=CCNCc1cccc(c1Cl)C 2230a_100025705714_100000210623 [0,3,0,0,0,0|1,0,0]=4 23164 B13R1.16 C=CCNCc1cccc(c1Cl)C 270004a_100020586998_100012017286 [0,3,0,0,0,0|1,0,0]=4 23165 B13R1.16 C=CCNCc1cccc(c1Cl)C 34a_100025705714_100015514636 [0,3,0,0,0,0|1,0,0]=4 23166 B13R1.16 C=CCNCc1cccc(c1Cl)Cl 2230a_100011211633_100000210623 [0,3,0,0,0,0|1,0,0]=4 23167 B13R1.16 C=CCNCc1cccc(c1Cl)Cl 2230a_100020586998_100000723366 [0,3,0,0,0,0|1,0,0]=4 23168 B13R1.16 C=CCNCc1cccc(c1Cl)Cl 270004a_100020586998_100000210504 [0,3,0,0,0,0|1,0,0]=4 23169 B13R1.16 C=CCNCc1cccc(c1Cl)Cl 34a_100011211633_100015514636 [0,3,0,0,0,0|1,0,0]=4 23170 B13R1.16 C=CCNCc1cccc(c1Cl)F 2230a_100012001614_100000210623 [0,3,0,0,0,0|1,0,0]=4 23171 B13R1.16 C=CCNCc1cccc(c1Cl)F 2230a_100020586998_100000696688 [0,3,0,0,0,0|1,0,0]=4 23172 B13R1.16 C=CCNCc1cccc(c1Cl)F 270004a_100020586998_100011998484 [0,3,0,0,0,0|1,0,0]=4 23173 B13R1.16 C=CCNCc1cccc(c1Cl)F 34a_100012001614_100015514636 [0,3,0,0,0,0|1,0,0]=4 23174 B13R1.16 C=CCNCc1cccc(c1Cl)O 270004a_100020586998_100000050521 [0,3,0,0,0,0|1,0,0]=4 23175 B13R1.16 C=CCNCc1cccc(c1F)Br 2230a_100015189953_100000210623 [0,3,0,0,0,0|1,0,0]=4 23176 B13R1.16 C=CCNCc1cccc(c1F)Br 2230a_100020586998_100012356506 [0,3,0,0,0,0|1,0,0]=4 23177 B13R1.16 C=CCNCc1cccc(c1F)Br 270004a_100020586998_100011361543 [0,3,0,0,0,0|1,0,0]=4 23178 B13R1.16 C=CCNCc1cccc(c1F)Br 34a_100015189953_100015514636 [0,3,0,0,0,0|1,0,0]=4 23179 B13R1.16 C=CCNCc1cccc(c1F)C 2230a_100012002060_100000210623 [0,3,0,0,0,0|1,0,0]=4 23180 B13R1.16 C=CCNCc1cccc(c1F)C 2230a_100020586998_100011216058 [0,3,0,0,0,0|1,0,0]=4 23181 B13R1.16 C=CCNCc1cccc(c1F)C 270004a_100020586998_100011219516 [0,3,0,0,0,0|1,0,0]=4 23182 B13R1.16 C=CCNCc1cccc(c1F)C 34a_100012002060_100015514636 [0,3,0,0,0,0|1,0,0]=4 23183 B13R1.16 C=CCNCc1cccc(c1F)Cl 2230a_100000764326_100000210623 [0,3,0,0,0,0|1,0,0]=4 23184 B13R1.16 C=CCNCc1cccc(c1F)Cl 2230a_100020586998_100000716733 [0,3,0,0,0,0|1,0,0]=4 23185 B13R1.16 C=CCNCc1cccc(c1F)Cl 270004a_100020586998_100000766533 [0,3,0,0,0,0|1,0,0]=4 23186 B13R1.16 C=CCNCc1cccc(c1F)Cl 34a_100000764326_100015514636 [0,3,0,0,0,0|1,0,0]=4 23187 B13R1.16 C=CCNCc1cccc(c1F)F 2230a_100011199105_100000210623 [0,3,0,0,0,0|1,0,0]=4 23188 B13R1.16 C=CCNCc1cccc(c1F)F 2230a_100020586998_100000217499 [0,3,0,0,0,0|1,0,0]=4 23189 B13R1.16 C=CCNCc1cccc(c1F)F 270004a_100020586998_100000753312 [0,3,0,0,0,0|1,0,0]=4 23190 B13R1.16 C=CCNCc1cccc(c1F)F 34a_100011199105_100015514636 [0,3,0,0,0,0|1,0,0]=4 23191 B13R1.16 C=CCNCc1cccc(c1F)I 270004a_100020586998_100010202174 [0,3,0,0,0,0|1,0,0]=4 23192 B13R1.16 C=CCNCc1cccc(c1F)O 34a_100025773512_100015514636 [0,3,0,0,0,0|1,0,0]=4 23193 B13R1.16 C=CCNCc1cccc(c1I)F 2230a_100020586998_100010149603 [0,3,0,0,0,0|1,0,0]=4 23194 B13R1.16 C=CCNCc1cccc(c1I)F 270004a_100020586998_100010186293 [0,3,0,0,0,0|1,0,0]=4 23195 B13R1.16 C=CCNCc1cccc(c1O)C 34a_100020639391_100015514636 [0,3,0,0,0,0|1,0,0]=4 23196 B13R1.16 C=CCOCc1cccc(c1Br)C 34a_100011659289_100015514636 [0,3,0,0,0,0|0,0,0]=3 23197 B13R1.16 C=CCOCc1cccc(c1Br)C 34a_200000210373_200012349612 [0,3,0,0,0,0|0,0,0]=3 23198 B13R1.16 C=CCOCc1cccc(c1Br)C 7a_100011659289_100015514636 [0,3,0,0,0,0|0,0,0]=3 23199 B13R1.16 C=CCOCc1cccc(c1Br)Cl 34a_100010168166_100015514636 [0,3,0,0,0,0|0,0,0]=3 23200 B13R1.16 C=CCOCc1cccc(c1Br)Cl 34a_200000210373_100010145525 [0,3,0,0,0,0|0,0,0]=3 23201 B13R1.16 C=CCOCc1cccc(c1Br)Cl 7a_100010168166_100015514636 [0,3,0,0,0,0|0,0,0]=3 23202 B13R1.16 C=CCOCc1cccc(c1Br)F 34a_100012351117_100015514636 [0,3,0,0,0,0|0,0,0]=3 23203 B13R1.16 C=CCOCc1cccc(c1Br)F 34a_200000210373_100012351116 [0,3,0,0,0,0|0,0,0]=3 23204 B13R1.16 C=CCOCc1cccc(c1Br)F 7a_100012351117_100015514636 [0,3,0,0,0,0|0,0,0]=3 23205 B13R1.16 C=CCOCc1cccc(c1Br)I 34a_100010240205_100015514636 [0,3,0,0,0,0|0,0,0]=3 23206 B13R1.16 C=CCOCc1cccc(c1Br)I 34a_200000210373_100010254545 [0,3,0,0,0,0|0,0,0]=3 23207 B13R1.16 C=CCOCc1cccc(c1Br)I 7a_100010240205_100015514636 [0,3,0,0,0,0|0,0,0]=3 23208 B13R1.16 C=CCOCc1cccc(c1C)Br 34a_100000694458_100015514636 [0,3,0,0,0,0|0,0,0]=3 23209 B13R1.16 C=CCOCc1cccc(c1C)Br 34a_200000210373_100000694682 [0,3,0,0,0,0|0,0,0]=3 23210 B13R1.16 C=CCOCc1cccc(c1C)Br 7a_100000694458_100015514636 [0,3,0,0,0,0|0,0,0]=3 23211 B13R1.16 C=CCOCc1cccc(c1C)C 34a_100011219135_100015514636 [0,3,0,0,0,0|0,0,0]=3 23212 B13R1.16 C=CCOCc1cccc(c1C)C 34a_200000210373_100011273979 [0,3,0,0,0,0|0,0,0]=3 23213 B13R1.16 C=CCOCc1cccc(c1C)C 7a_100011219135_100015514636 [0,3,0,0,0,0|0,0,0]=3 23214 B13R1.16 C=CCOCc1cccc(c1C)Cl 34a_100012000165_100015514636 [0,3,0,0,0,0|0,0,0]=3 23215 B13R1.16 C=CCOCc1cccc(c1C)Cl 34a_200000210373_100012186920 [0,3,0,0,0,0|0,0,0]=3 23216 B13R1.16 C=CCOCc1cccc(c1C)Cl 7a_100012000165_100015514636 [0,3,0,0,0,0|0,0,0]=3 23217 B13R1.16 C=CCOCc1cccc(c1C)F 34a_100000042775_100015514636 [0,3,0,0,0,0|0,0,0]=3 23218 B13R1.16 C=CCOCc1cccc(c1C)F 34a_200000210373_100009813626 [0,3,0,0,0,0|0,0,0]=3 23219 B13R1.16 C=CCOCc1cccc(c1C)F 7a_100000042775_100015514636 [0,3,0,0,0,0|0,0,0]=3 23220 B13R1.16 C=CCOCc1cccc(c1C)I 34a_100010150139_100015514636 [0,3,0,0,0,0|0,0,0]=3 23221 B13R1.16 C=CCOCc1cccc(c1C)I 34a_200000210373_100010150147 [0,3,0,0,0,0|0,0,0]=3 23222 B13R1.16 C=CCOCc1cccc(c1C)I 7a_100010150139_100015514636 [0,3,0,0,0,0|0,0,0]=3 23223 B13R1.16 C=CCOCc1cccc(c1C)N 34a_102495339961_100015514636 [0,3,0,0,0,0|0,0,0]=3 23224 B13R1.16 C=CCOCc1cccc(c1C)N 7a_102495339961_100015514636 [0,3,0,0,0,0|0,0,0]=3 23225 B13R1.16 C=CCOCc1cccc(c1Cl)Br 34a_100012351182_100015514636 [0,3,0,0,0,0|0,0,0]=3 23226 B13R1.16 C=CCOCc1cccc(c1Cl)Br 34a_200000210373_100012349491 [0,3,0,0,0,0|0,0,0]=3 23227 B13R1.16 C=CCOCc1cccc(c1Cl)Br 7a_100012351182_100015514636 [0,3,0,0,0,0|0,0,0]=3 23228 B13R1.16 C=CCOCc1cccc(c1Cl)C 34a_100000710031_100015514636 [0,3,0,0,0,0|0,0,0]=3 23229 B13R1.16 C=CCOCc1cccc(c1Cl)C 7a_100000710031_100015514636 [0,3,0,0,0,0|0,0,0]=3 23230 B13R1.16 C=CCOCc1cccc(c1Cl)Cl 34a_100000720469_100015514636 [0,3,0,0,0,0|0,0,0]=3 23231 B13R1.16 C=CCOCc1cccc(c1Cl)Cl 34a_200000210373_100000723366 [0,3,0,0,0,0|0,0,0]=3 23232 B13R1.16 C=CCOCc1cccc(c1Cl)Cl 7a_100000720469_100015514636 [0,3,0,0,0,0|0,0,0]=3 23233 B13R1.16 C=CCOCc1cccc(c1Cl)F 34a_100000696319_100015514636 [0,3,0,0,0,0|0,0,0]=3 23234 B13R1.16 C=CCOCc1cccc(c1Cl)F 34a_200000210373_100000696688 [0,3,0,0,0,0|0,0,0]=3 23235 B13R1.16 C=CCOCc1cccc(c1Cl)F 7a_100000696319_100015514636 [0,3,0,0,0,0|0,0,0]=3 23236 B13R1.16 C=CCOCc1cccc(c1F)Br 34a_100011935076_100015514636 [0,3,0,0,0,0|0,0,0]=3 23237 B13R1.16 C=CCOCc1cccc(c1F)Br 34a_200000210373_100012356506 [0,3,0,0,0,0|0,0,0]=3 23238 B13R1.16 C=CCOCc1cccc(c1F)Br 7a_100011935076_100015514636 [0,3,0,0,0,0|0,0,0]=3 23239 B13R1.16 C=CCOCc1cccc(c1F)C 34a_200000210373_100011216058 [0,3,0,0,0,0|0,0,0]=3 23240 B13R1.16 C=CCOCc1cccc(c1F)C 34a_200011219517_100015514636 [0,3,0,0,0,0|0,0,0]=3 23241 B13R1.16 C=CCOCc1cccc(c1F)C 7a_200011219517_100015514636 [0,3,0,0,0,0|0,0,0]=3 23242 B13R1.16 C=CCOCc1cccc(c1F)Cl 34a_100011216988_100015514636 [0,3,0,0,0,0|0,0,0]=3 23243 B13R1.16 C=CCOCc1cccc(c1F)Cl 34a_200000210373_100000716733 [0,3,0,0,0,0|0,0,0]=3 23244 B13R1.16 C=CCOCc1cccc(c1F)Cl 7a_100011216988_100015514636 [0,3,0,0,0,0|0,0,0]=3 23245 B13R1.16 C=CCOCc1cccc(c1F)F 34a_100011218644_100015514636 [0,3,0,0,0,0|0,0,0]=3 23246 B13R1.16 C=CCOCc1cccc(c1F)F 34a_200000210373_100000217499 [0,3,0,0,0,0|0,0,0]=3 23247 B13R1.16 C=CCOCc1cccc(c1F)F 7a_100011218644_100015514636 [0,3,0,0,0,0|0,0,0]=3 23248 B13R1.16 C=CCOCc1cccc(c1F)I 34a_200010235739_100015514636 [0,3,0,0,0,0|0,0,0]=3 23249 B13R1.16 C=CCOCc1cccc(c1F)I 7a_200010235739_100015514636 [0,3,0,0,0,0|0,0,0]=3 23250 B13R1.16 C=CCOCc1cccc(c1F)N 34a_100012023829_100015514636 [0,3,0,0,0,0|0,0,0]=3 23251 B13R1.16 C=CCOCc1cccc(c1I)Br 34a_100010146604_100015514636 [0,3,0,0,0,0|0,0,0]=3 23252 B13R1.16 C=CCOCc1cccc(c1I)Br 7a_100010146604_100015514636 [0,3,0,0,0,0|0,0,0]=3 23253 B13R1.16 C=CCOCc1cccc(c1I)C 34a_100012349780_100015514636 [0,3,0,0,0,0|0,0,0]=3 23254 B13R1.16 C=CCOCc1cccc(c1I)C 7a_100012349780_100015514636 [0,3,0,0,0,0|0,0,0]=3 23255 B13R1.16 C=CCOCc1cccc(c1I)F 34a_100000692438_100015514636 [0,3,0,0,0,0|0,0,0]=3 23256 B13R1.16 C=CCOCc1cccc(c1I)F 34a_200000210373_100010149603 [0,3,0,0,0,0|0,0,0]=3 23257 B13R1.16 C=CCOCc1cccc(c1I)F 7a_100000692438_100015514636 [0,3,0,0,0,0|0,0,0]=3 23258 B13R1.16 C=CCOCc1cccc(c1N)Br 34a_100012349457_100015514636 [0,3,0,0,0,0|0,0,0]=3 23259 B13R1.16 C=CCOCc1cccc(c1N)C 34a_100011215590_100015514636 [0,3,0,0,0,0|0,0,0]=3 23260 B13R1.16 C=CCOCc1cccc(c1N)Cl 34a_100012182729_100015514636 [0,3,0,0,0,0|0,0,0]=3 23261 B13R1.16 C=CCOCc1cccc(c1N)F 34a_100000692437_100015514636 [0,3,0,0,0,0|0,0,0]=3 23262 B13R1.16 C=CCOCc1ccnc(c1F)Br 34a_100010065242_100015514636 [0,3,0,0,0,0|1,0,0]=4 23263 B13R1.16 C=CCOCc1ccnc(c1F)Br 7a_100010065242_100015514636 [0,3,0,0,0,0|1,0,0]=4 23264 B13R1.16 C=CCOCc1ccnc(c1F)Cl 34a_100000101314_100015514636 [0,3,0,0,0,0|1,0,0]=4 23265 B13R1.16 C=CCOCc1ccnc(c1F)Cl 7a_100000101314_100015514636 [0,3,0,0,0,0|1,0,0]=4 23266 B13R1.16 C=CCOCc1nccc(c1C)Cl 34a_200000210373_100020614443 [0,3,0,0,0,0|1,0,0]=4 23267 B13R1.16 C=CCSCc1cccc(c1Br)C 62a_100000210623_200012349612 [0,3,0,0,0,0|0,1,0]=4 23268 B13R1.16 C=CCSCc1cccc(c1Br)C 62a_200012349612_100000210623 [0,3,0,0,0,0|0,1,0]=4 23269 B13R1.16 C=CCSCc1cccc(c1Br)Cl 62a_100000210623_100010145525 [0,3,0,0,0,0|0,1,0]=4 23270 B13R1.16 C=CCSCc1cccc(c1Br)Cl 62a_100010145525_100000210623 [0,3,0,0,0,0|0,1,0]=4 23271 B13R1.16 C=CCSCc1cccc(c1Br)F 62a_100000210623_100012351116 [0,3,0,0,0,0|0,1,0]=4 23272 B13R1.16 C=CCSCc1cccc(c1Br)F 62a_100012351116_100000210623 [0,3,0,0,0,0|0,1,0]=4 23273 B13R1.16 C=CCSCc1cccc(c1Br)I 62a_100000210623_100010254545 [0,3,0,0,0,0|0,1,0]=4 23274 B13R1.16 C=CCSCc1cccc(c1Br)I 62a_100010254545_100000210623 [0,3,0,0,0,0|0,1,0]=4 23275 B13R1.16 C=CCSCc1cccc(c1C)Br 62a_100000210623_100000694682 [0,3,0,0,0,0|0,1,0]=4 23276 B13R1.16 C=CCSCc1cccc(c1C)Br 62a_100000694682_100000210623 [0,3,0,0,0,0|0,1,0]=4 23277 B13R1.16 C=CCSCc1cccc(c1C)C 62a_100000210623_100011515928 [0,3,0,0,0,0|0,1,0]=4 23278 B13R1.16 C=CCSCc1cccc(c1C)C 62a_100011515928_100000210623 [0,3,0,0,0,0|0,1,0]=4 23279 B13R1.16 C=CCSCc1cccc(c1C)Cl 62a_100000210623_100012186920 [0,3,0,0,0,0|0,1,0]=4 23280 B13R1.16 C=CCSCc1cccc(c1C)Cl 62a_100012186920_100000210623 [0,3,0,0,0,0|0,1,0]=4 23281 B13R1.16 C=CCSCc1cccc(c1C)F 62a_100000210623_100009813626 [0,3,0,0,0,0|0,1,0]=4 23282 B13R1.16 C=CCSCc1cccc(c1C)F 62a_100009813626_100000210623 [0,3,0,0,0,0|0,1,0]=4 23283 B13R1.16 C=CCSCc1cccc(c1C)I 62a_100000210623_100010150147 [0,3,0,0,0,0|0,1,0]=4 23284 B13R1.16 C=CCSCc1cccc(c1C)I 62a_100010150147_100000210623 [0,3,0,0,0,0|0,1,0]=4 23285 B13R1.16 C=CCSCc1cccc(c1Cl)Br 62a_100000210623_100012349491 [0,3,0,0,0,0|0,1,0]=4 23286 B13R1.16 C=CCSCc1cccc(c1Cl)Br 62a_100012349491_100000210623 [0,3,0,0,0,0|0,1,0]=4 23287 B13R1.16 C=CCSCc1cccc(c1Cl)Cl 62a_100000210623_100000723366 [0,3,0,0,0,0|0,1,0]=4 23288 B13R1.16 C=CCSCc1cccc(c1Cl)Cl 62a_100000720918_100000210623 [0,3,0,0,0,0|0,1,0]=4 23289 B13R1.16 C=CCSCc1cccc(c1Cl)F 62a_100000210623_100000696688 [0,3,0,0,0,0|0,1,0]=4 23290 B13R1.16 C=CCSCc1cccc(c1Cl)F 62a_100000696688_100000210623 [0,3,0,0,0,0|0,1,0]=4 23291 B13R1.16 C=CCSCc1cccc(c1F)Br 62a_100000210623_100012356506 [0,3,0,0,0,0|0,1,0]=4 23292 B13R1.16 C=CCSCc1cccc(c1F)Br 62a_100012356506_100000210623 [0,3,0,0,0,0|0,1,0]=4 23293 B13R1.16 C=CCSCc1cccc(c1F)C 62a_100000210623_100011216058 [0,3,0,0,0,0|0,1,0]=4 23294 B13R1.16 C=CCSCc1cccc(c1F)C 62a_100011216058_100000210623 [0,3,0,0,0,0|0,1,0]=4 23295 B13R1.16 C=CCSCc1cccc(c1F)Cl 62a_100000210623_100000716733 [0,3,0,0,0,0|0,1,0]=4 23296 B13R1.16 C=CCSCc1cccc(c1F)Cl 62a_100000716733_100000210623 [0,3,0,0,0,0|0,1,0]=4 23297 B13R1.16 C=CCSCc1cccc(c1F)F 62a_100000210623_100000217499 [0,3,0,0,0,0|0,1,0]=4 23298 B13R1.16 C=CCSCc1cccc(c1F)F 62a_100000217499_100000210623 [0,3,0,0,0,0|0,1,0]=4 23299 B13R1.16 C=CCSCc1cccc(c1I)F 62a_100000210623_100010149603 [0,3,0,0,0,0|0,1,0]=4 23300 B13R1.16 C=CCSCc1cccc(c1I)F 62a_100010149603_100000210623 [0,3,0,0,0,0|0,1,0]=4 23301 B13R1.16 CC=CCNc1cccc(c1Br)C 34a_100000684715_100000070051 [0,3,0,0,0,0|1,0,0]=4 23302 B13R1.16 CC=CCNc1cccc(c1Br)Cl 34a_100000687072_100000070051 [0,3,0,0,0,0|1,0,0]=4 23303 B13R1.16 CC=CCNc1cccc(c1Br)F 34a_100011934729_100000070051 [0,3,0,0,0,0|1,0,0]=4 23304 B13R1.16 CC=CCNc1cccc(c1Br)O 34a_100012183704_100000070051 [0,3,0,0,0,0|1,0,0]=4 23305 B13R1.16 CC=CCNc1cccc(c1Br)O 7a_100012183704_100000070051 [0,3,0,0,0,0|1,0,0]=4 23306 B13R1.16 CC=CCNc1cccc(c1C)Br 34a_100000750434_100000070051 [0,3,0,0,0,0|1,0,0]=4 23307 B13R1.16 CC=CCNc1cccc(c1C)C 2230a_100000210026_100000070051 [0,3,0,0,0,0|1,0,0]=4 23308 B13R1.16 CC=CCNc1cccc(c1C)C 34a_100000210026_100000070051 [0,3,0,0,0,0|1,0,0]=4 23309 B13R1.16 CC=CCNc1cccc(c1C)C 7a_100000210026_100000070051 [0,3,0,0,0,0|1,0,0]=4 23310 B13R1.16 CC=CCNc1cccc(c1C)Cl 2230a_100000210441_100000070051 [0,3,0,0,0,0|1,0,0]=4 23311 B13R1.16 CC=CCNc1cccc(c1C)Cl 34a_100000210441_100000070051 [0,3,0,0,0,0|1,0,0]=4 23312 B13R1.16 CC=CCNc1cccc(c1C)Cl 7a_100000210441_100000070051 [0,3,0,0,0,0|1,0,0]=4 23313 B13R1.16 CC=CCNc1cccc(c1C)F 34a_100000745574_100000070051 [0,3,0,0,0,0|1,0,0]=4 23314 B13R1.16 CC=CCNc1cccc(c1C)F 7a_100000745574_100000070051 [0,3,0,0,0,0|1,0,0]=4 23315 B13R1.16 CC=CCNc1cccc(c1C)I 34a_100000761887_100000070051 [0,3,0,0,0,0|1,0,0]=4 23316 B13R1.16 CC=CCNc1cccc(c1C)O 34a_100011216573_100000070051 [0,3,0,0,0,0|1,0,0]=4 23317 B13R1.16 CC=CCNc1cccc(c1C)O 7a_100011216573_100000070051 [0,3,0,0,0,0|1,0,0]=4 23318 B13R1.16 CC=CCNc1cccc(c1Cl)Br 34a_100000687075_100000070051 [0,3,0,0,0,0|1,0,0]=4 23319 B13R1.16 CC=CCNc1cccc(c1Cl)C 34a_100000765562_100000070051 [0,3,0,0,0,0|1,0,0]=4 23320 B13R1.16 CC=CCNc1cccc(c1Cl)C 7a_100000765562_100000070051 [0,3,0,0,0,0|1,0,0]=4 23321 B13R1.16 CC=CCNc1cccc(c1Cl)Cl 34a_100000185733_100000070051 [0,3,0,0,0,0|1,0,0]=4 23322 B13R1.16 CC=CCNc1cccc(c1Cl)F 34a_100000692321_100000070051 [0,3,0,0,0,0|1,0,0]=4 23323 B13R1.16 CC=CCNc1cccc(c1Cl)O 34a_100012002038_100000070051 [0,3,0,0,0,0|1,0,0]=4 23324 B13R1.16 CC=CCNc1cccc(c1Cl)O 7a_100012002038_100000070051 [0,3,0,0,0,0|1,0,0]=4 23325 B13R1.16 CC=CCNc1cccc(c1F)Br 2230a_100011935091_100000070051 [0,3,0,0,0,0|1,0,0]=4 23326 B13R1.16 CC=CCNc1cccc(c1F)Br 34a_100011935091_100000070051 [0,3,0,0,0,0|1,0,0]=4 23327 B13R1.16 CC=CCNc1cccc(c1F)C 2230a_100000697159_100000070051 [0,3,0,0,0,0|1,0,0]=4 23328 B13R1.16 CC=CCNc1cccc(c1F)C 34a_100000697159_100000070051 [0,3,0,0,0,0|1,0,0]=4 23329 B13R1.16 CC=CCNc1cccc(c1F)C 7a_100000697159_100000070051 [0,3,0,0,0,0|1,0,0]=4 23330 B13R1.16 CC=CCNc1cccc(c1F)Cl 2230a_100000199060_100000070051 [0,3,0,0,0,0|1,0,0]=4 23331 B13R1.16 CC=CCNc1cccc(c1F)Cl 34a_100000199060_100000070051 [0,3,0,0,0,0|1,0,0]=4 23332 B13R1.16 CC=CCNc1cccc(c1F)F 34a_100000743855_100000070051 [0,3,0,0,0,0|1,0,0]=4 23333 B13R1.16 CC=CCNc1cccc(c1I)Br 34a_100020590159_100000070051 [0,3,0,0,0,0|1,0,0]=4 23334 B13R1.16 CC=CCNc1cccc(c1I)C 34a_100000761888_100000070051 [0,3,0,0,0,0|1,0,0]=4 23335 B13R1.16 CC=CCNc1cccc(c1I)Cl 34a_100000049713_100000070051 [0,3,0,0,0,0|1,0,0]=4 23336 B13R1.16 CC=CCNc1cccc(c1I)F 34a_100000690935_100000070051 [0,3,0,0,0,0|1,0,0]=4 23337 B13R1.16 CC=CCNc1cccc(c1O)Br 34a_100011934915_100000070051 [0,3,0,0,0,0|1,0,0]=4 23338 B13R1.16 CC=CCNc1cccc(c1O)C 34a_100000756359_100000070051 [0,3,0,0,0,0|1,0,0]=4 23339 B13R1.16 CC=CCNc1cccc(c1O)Cl 34a_100000754742_100000070051 [0,3,0,0,0,0|1,0,0]=4 23340 B13R1.16 CC=CCNc1cccc(c1O)F 34a_100011934987_100000070051 [0,3,0,0,0,0|1,0,0]=4 23341 B13R1.16 CC=CCOc1cccc(c1Br)Br 34a_100010187966_100000070051 [0,3,0,0,0,0|0,0,0]=3 23342 B13R1.16 CC=CCOc1cccc(c1Br)Br 7a_100010187966_100000070051 [0,3,0,0,0,0|0,0,0]=3 23343 B13R1.16 CC=CCOc1cccc(c1Br)C 34a_100000686692_100000070051 [0,3,0,0,0,0|0,0,0]=3 23344 B13R1.16 CC=CCOc1cccc(c1Br)C 7a_100000686692_100000070051 [0,3,0,0,0,0|0,0,0]=3 23345 B13R1.16 CC=CCOc1cccc(c1Br)Cl 34a_100012348804_100000070051 [0,3,0,0,0,0|0,0,0]=3 23346 B13R1.16 CC=CCOc1cccc(c1Br)Cl 7a_100012348804_100000070051 [0,3,0,0,0,0|0,0,0]=3 23347 B13R1.16 CC=CCOc1cccc(c1Br)F 34a_100009820682_100000070051 [0,3,0,0,0,0|0,0,0]=3 23348 B13R1.16 CC=CCOc1cccc(c1Br)F 7a_100009820682_100000070051 [0,3,0,0,0,0|0,0,0]=3 23349 B13R1.16 CC=CCOc1cccc(c1Br)I 34a_100010187914_100000070051 [0,3,0,0,0,0|0,0,0]=3 23350 B13R1.16 CC=CCOc1cccc(c1Br)I 7a_100010187914_100000070051 [0,3,0,0,0,0|0,0,0]=3 23351 B13R1.16 CC=CCOc1cccc(c1Br)N 34a_100012183704_100000070051 [0,3,0,0,0,0|0,0,0]=3 23352 B13R1.16 CC=CCOc1cccc(c1Br)N 7a_100012183704_100000070051 [0,3,0,0,0,0|0,0,0]=3 23353 B13R1.16 CC=CCOc1cccc(c1C)Br 34a_100012002258_100000070051 [0,3,0,0,0,0|0,0,0]=3 23354 B13R1.16 CC=CCOc1cccc(c1C)Br 7a_100012002258_100000070051 [0,3,0,0,0,0|0,0,0]=3 23355 B13R1.16 CC=CCOc1cccc(c1C)C 34a_100000185855_100000070051 [0,3,0,0,0,0|0,0,0]=3 23356 B13R1.16 CC=CCOc1cccc(c1C)C 7a_100000185855_100000070051 [0,3,0,0,0,0|0,0,0]=3 23357 B13R1.16 CC=CCOc1cccc(c1C)Cl 34a_100011265684_100000070051 [0,3,0,0,0,0|0,0,0]=3 23358 B13R1.16 CC=CCOc1cccc(c1C)Cl 7a_100011265684_100000070051 [0,3,0,0,0,0|0,0,0]=3 23359 B13R1.16 CC=CCOc1cccc(c1C)F 34a_100011217231_100000070051 [0,3,0,0,0,0|0,0,0]=3 23360 B13R1.16 CC=CCOc1cccc(c1C)F 7a_100011217231_100000070051 [0,3,0,0,0,0|0,0,0]=3 23361 B13R1.16 CC=CCOc1cccc(c1C)N 34a_100011216573_100000070051 [0,3,0,0,0,0|0,0,0]=3 23362 B13R1.16 CC=CCOc1cccc(c1C)N 7a_100011216573_100000070051 [0,3,0,0,0,0|0,0,0]=3 23363 B13R1.16 CC=CCOc1cccc(c1Cl)Br 34a_100010187913_100000070051 [0,3,0,0,0,0|0,0,0]=3 23364 B13R1.16 CC=CCOc1cccc(c1Cl)Br 7a_100010187913_100000070051 [0,3,0,0,0,0|0,0,0]=3 23365 B13R1.16 CC=CCOc1cccc(c1Cl)C 34a_100000695629_100000070051 [0,3,0,0,0,0|0,0,0]=3 23366 B13R1.16 CC=CCOc1cccc(c1Cl)C 7a_100000695629_100000070051 [0,3,0,0,0,0|0,0,0]=3 23367 B13R1.16 CC=CCOc1cccc(c1Cl)Cl 34a_100000211076_100000070051 [0,3,0,0,0,0|0,0,0]=3 23368 B13R1.16 CC=CCOc1cccc(c1Cl)Cl 7a_100000211076_100000070051 [0,3,0,0,0,0|0,0,0]=3 23369 B13R1.16 CC=CCOc1cccc(c1Cl)F 34a_100000087408_100000070051 [0,3,0,0,0,0|0,0,0]=3 23370 B13R1.16 CC=CCOc1cccc(c1Cl)F 7a_100000087408_100000070051 [0,3,0,0,0,0|0,0,0]=3 23371 B13R1.16 CC=CCOc1cccc(c1Cl)I 34a_100000049636_100000070051 [0,3,0,0,0,0|0,0,0]=3 23372 B13R1.16 CC=CCOc1cccc(c1Cl)I 7a_100000049636_100000070051 [0,3,0,0,0,0|0,0,0]=3 23373 B13R1.16 CC=CCOc1cccc(c1Cl)N 34a_100012002038_100000070051 [0,3,0,0,0,0|0,0,0]=3 23374 B13R1.16 CC=CCOc1cccc(c1Cl)N 7a_100012002038_100000070051 [0,3,0,0,0,0|0,0,0]=3 23375 B13R1.16 CC=CCOc1cccc(c1F)Br 34a_100009817021_100000070051 [0,3,0,0,0,0|0,0,0]=3 23376 B13R1.16 CC=CCOc1cccc(c1F)Br 7a_100009817021_100000070051 [0,3,0,0,0,0|0,0,0]=3 23377 B13R1.16 CC=CCOc1cccc(c1F)C 34a_100000751311_100000070051 [0,3,0,0,0,0|0,0,0]=3 23378 B13R1.16 CC=CCOc1cccc(c1F)C 7a_100000751311_100000070051 [0,3,0,0,0,0|0,0,0]=3 23379 B13R1.16 CC=CCOc1cccc(c1F)Cl 34a_100000687438_100000070051 [0,3,0,0,0,0|0,0,0]=3 23380 B13R1.16 CC=CCOc1cccc(c1F)Cl 7a_100000687438_100000070051 [0,3,0,0,0,0|0,0,0]=3 23381 B13R1.16 CC=CCOc1cccc(c1F)F 34a_100000751161_100000070051 [0,3,0,0,0,0|0,0,0]=3 23382 B13R1.16 CC=CCOc1cccc(c1F)F 7a_100000751161_100000070051 [0,3,0,0,0,0|0,0,0]=3 23383 B13R1.16 CC=CCOc1cccc(c1I)Br 34a_100010187912_100000070051 [0,3,0,0,0,0|0,0,0]=3 23384 B13R1.16 CC=CCOc1cccc(c1I)Br 7a_100010187912_100000070051 [0,3,0,0,0,0|0,0,0]=3 23385 B13R1.16 CC=CCOc1cccc(c1I)C 34a_100010083724_100000070051 [0,3,0,0,0,0|0,0,0]=3 23386 B13R1.16 CC=CCOc1cccc(c1I)C 7a_100010083724_100000070051 [0,3,0,0,0,0|0,0,0]=3 23387 B13R1.16 CC=CCOc1cccc(c1I)Cl 34a_100000050174_100000070051 [0,3,0,0,0,0|0,0,0]=3 23388 B13R1.16 CC=CCOc1cccc(c1I)Cl 7a_100000050174_100000070051 [0,3,0,0,0,0|0,0,0]=3 23389 B13R1.16 CC=CCOc1cccc(c1I)F 34a_100000690913_100000070051 [0,3,0,0,0,0|0,0,0]=3 23390 B13R1.16 CC=CCOc1cccc(c1I)F 7a_100000690913_100000070051 [0,3,0,0,0,0|0,0,0]=3 23391 B13R1.16 CC=CCOc1cccc(c1N)Br 34a_100011934926_100000070051 [0,3,0,0,0,0|0,0,0]=3 23392 B13R1.16 CC=CCOc1cccc(c1N)Br 7a_100011934926_100000070051 [0,3,0,0,0,0|0,0,0]=3 23393 B13R1.16 CC=CCOc1cccc(c1N)C 34a_100000743429_100000070051 [0,3,0,0,0,0|0,0,0]=3 23394 B13R1.16 CC=CCOc1cccc(c1N)C 7a_100000743429_100000070051 [0,3,0,0,0,0|0,0,0]=3 23395 B13R1.16 CC=CCOc1cccc(c1N)Cl 34a_100012022510_100000070051 [0,3,0,0,0,0|0,0,0]=3 23396 B13R1.16 CC=CCOc1cccc(c1N)Cl 7a_100012022510_100000070051 [0,3,0,0,0,0|0,0,0]=3 23397 B13R1.16 CC=CCOc1cccc(c1N)F 34a_100020591140_100000070051 [0,3,0,0,0,0|0,0,0]=3 23398 B13R1.16 CC=CCOc1cccc(c1N)F 7a_100020591140_100000070051 [0,3,0,0,0,0|0,0,0]=3 23399 B13R1.16 CC=CCOc1cccc(c1N)I 34a_200000049512_100000070051 [0,3,0,0,0,0|0,0,0]=3 23400 B13R1.16 CC=CCOc1cccc(c1N)I 7a_200000049512_100000070051 [0,3,0,0,0,0|0,0,0]=3 23401 B13R1.16 CC=CCOc1cccc(c1N)N 34a_100000033209_100000070051 [0,3,0,0,0,0|0,0,0]=3 23402 B13R1.16 CC=CCOc1cccn(c1=O)C 34a_100000117616_100000070051 [0,3,0,0,0,0|1,0,0]=4 23403 B13R1.16 CC=CCOc1cccn(c1=O)C 7a_100000117616_100000070051 [0,3,0,0,0,0|1,0,0]=4 23404 B13R1.16 CC=CCOc1ccnc(c1Br)Cl 34a_100010136240_100000070051 [0,3,0,0,0,0|1,0,0]=4 23405 B13R1.16 CC=CCOc1ccnc(c1Cl)Cl 34a_100009860235_100000070051 [0,3,0,0,0,0|1,0,0]=4 23406 B13R1.16 CC=CCOc1ccnc(c1F)Br 34a_100009876375_100000070051 [0,3,0,0,0,0|1,0,0]=4 23407 B13R1.16 CC=CCOc1ccnc(c1F)Cl 34a_100009856406_100000070051 [0,3,0,0,0,0|1,0,0]=4 23408 B13R1.16 CC=CCOc1ccnc(c1N)Cl 34a_100000128729_100000070051 [0,3,0,0,0,0|1,0,0]=4 23409 B13R1.16 CC=CCOc1nccc(c1Br)C 34a_100012000493_100000070051 [0,3,0,0,0,0|1,0,0]=4 23410 B13R1.16 CC=CCOc1nccc(c1C)Br 34a_100009858498_100000070051 [0,3,0,0,0,0|1,0,0]=4 23411 B13R1.16 CC=CCOc1nccc(c1Cl)N 34a_200000093555_100000070051 [0,3,0,0,0,0|1,0,0]=4 23412 B13R1.16 CC=CCSc1cccc(c1Br)Br 62a_100000070051_100010175083 [0,3,0,0,0,0|0,1,0]=4 23413 B13R1.16 CC=CCSc1cccc(c1Br)Br 62a_100010175083_100000070051 [0,3,0,0,0,0|0,1,0]=4 23414 B13R1.16 CC=CCSc1cccc(c1Br)C 62a_100000070051_100012362457 [0,3,0,0,0,0|0,1,0]=4 23415 B13R1.16 CC=CCSc1cccc(c1Br)C 62a_100012362457_100000070051 [0,3,0,0,0,0|0,1,0]=4 23416 B13R1.16 CC=CCSc1cccc(c1Br)Cl 62a_100000070051_100014021842 [0,3,0,0,0,0|0,1,0]=4 23417 B13R1.16 CC=CCSc1cccc(c1Br)Cl 62a_100014021842_100000070051 [0,3,0,0,0,0|0,1,0]=4 23418 B13R1.16 CC=CCSc1cccc(c1Br)F 62a_100000070051_100010202630 [0,3,0,0,0,0|0,1,0]=4 23419 B13R1.16 CC=CCSc1cccc(c1Br)F 62a_100010202630_100000070051 [0,3,0,0,0,0|0,1,0]=4 23420 B13R1.16 CC=CCSc1cccc(c1Br)O 62a_100000070051_100010187914 [0,3,0,0,0,0|0,1,0]=4 23421 B13R1.16 CC=CCSc1cccc(c1Br)O 62a_100010187914_100000070051 [0,3,0,0,0,0|0,1,0]=4 23422 B13R1.16 CC=CCSc1cccc(c1C)Br 62a_100000070051_100012353703 [0,3,0,0,0,0|0,1,0]=4 23423 B13R1.16 CC=CCSc1cccc(c1C)Br 62a_100012353703_100000070051 [0,3,0,0,0,0|0,1,0]=4 23424 B13R1.16 CC=CCSc1cccc(c1C)C 62a_100000070051_100011214922 [0,3,0,0,0,0|0,1,0]=4 23425 B13R1.16 CC=CCSc1cccc(c1C)C 62a_100011214922_100000070051 [0,3,0,0,0,0|0,1,0]=4 23426 B13R1.16 CC=CCSc1cccc(c1C)Cl 62a_100000070051_100000726075 [0,3,0,0,0,0|0,1,0]=4 23427 B13R1.16 CC=CCSc1cccc(c1C)Cl 62a_100000726075_100000070051 [0,3,0,0,0,0|0,1,0]=4 23428 B13R1.16 CC=CCSc1cccc(c1C)F 62a_100000070051_100011216893 [0,3,0,0,0,0|0,1,0]=4 23429 B13R1.16 CC=CCSc1cccc(c1C)F 62a_100011216893_100000070051 [0,3,0,0,0,0|0,1,0]=4 23430 B13R1.16 CC=CCSc1cccc(c1C)N 62a_100000070051_100000761887 [0,3,0,0,0,0|0,1,0]=4 23431 B13R1.16 CC=CCSc1cccc(c1C)N 62a_100000761887_100000070051 [0,3,0,0,0,0|0,1,0]=4 23432 B13R1.16 CC=CCSc1cccc(c1C)O 62a_100000070051_100012002258 [0,3,0,0,0,0|0,1,0]=4 23433 B13R1.16 CC=CCSc1cccc(c1C)O 62a_100012002258_100000070051 [0,3,0,0,0,0|0,1,0]=4 23434 B13R1.16 CC=CCSc1cccc(c1Cl)Br 62a_100000070051_100010142854 [0,3,0,0,0,0|0,1,0]=4 23435 B13R1.16 CC=CCSc1cccc(c1Cl)Br 62a_100010142854_100000070051 [0,3,0,0,0,0|0,1,0]=4 23436 B13R1.16 CC=CCSc1cccc(c1Cl)C 62a_100000070051_200012352035 [0,3,0,0,0,0|0,1,0]=4 23437 B13R1.16 CC=CCSc1cccc(c1Cl)C 62a_200012352035_100000070051 [0,3,0,0,0,0|0,1,0]=4 23438 B13R1.16 CC=CCSc1cccc(c1Cl)Cl 62a_100000070051_100011215384 [0,3,0,0,0,0|0,1,0]=4 23439 B13R1.16 CC=CCSc1cccc(c1Cl)Cl 62a_100011215384_100000070051 [0,3,0,0,0,0|0,1,0]=4 23440 B13R1.16 CC=CCSc1cccc(c1Cl)F 62a_100000070051_200010234923 [0,3,0,0,0,0|0,1,0]=4 23441 B13R1.16 CC=CCSc1cccc(c1Cl)F 62a_200010234923_100000070051 [0,3,0,0,0,0|0,1,0]=4 23442 B13R1.16 CC=CCSc1cccc(c1Cl)O 62a_100000070051_100000049636 [0,3,0,0,0,0|0,1,0]=4 23443 B13R1.16 CC=CCSc1cccc(c1F)Br 62a_100000070051_100000702267 [0,3,0,0,0,0|0,1,0]=4 23444 B13R1.16 CC=CCSc1cccc(c1F)Br 62a_100000702267_100000070051 [0,3,0,0,0,0|0,1,0]=4 23445 B13R1.16 CC=CCSc1cccc(c1F)C 62a_100000070051_100000717567 [0,3,0,0,0,0|0,1,0]=4 23446 B13R1.16 CC=CCSc1cccc(c1F)C 62a_100000717567_100000070051 [0,3,0,0,0,0|0,1,0]=4 23447 B13R1.16 CC=CCSc1cccc(c1F)Cl 62a_100000070051_100011217346 [0,3,0,0,0,0|0,1,0]=4 23448 B13R1.16 CC=CCSc1cccc(c1F)Cl 62a_100011217346_100000070051 [0,3,0,0,0,0|0,1,0]=4 23449 B13R1.16 CC=CCSc1cccc(c1F)F 62a_100000070051_100000694657 [0,3,0,0,0,0|0,1,0]=4 23450 B13R1.16 CC=CCSc1cccc(c1F)F 62a_100000694657_100000070051 [0,3,0,0,0,0|0,1,0]=4 23451 B13R1.16 CC=CCSc1cccc(c1F)N 62a_100000070051_100011935091 [0,3,0,0,0,0|0,1,0]=4 23452 B13R1.16 CC=CCSc1cccc(c1F)N 62a_100011935091_100000070051 [0,3,0,0,0,0|0,1,0]=4 23453 B13R1.16 CC=CCSc1cccc(c1F)O 62a_100000070051_100009817021 [0,3,0,0,0,0|0,1,0]=4 23454 B13R1.16 CC=CCSc1cccc(c1F)O 62a_100009817021_100000070051 [0,3,0,0,0,0|0,1,0]=4 23455 B13R1.16 CC=CCSc1cccc(c1N)Br 62a_100000070051_100010146558 [0,3,0,0,0,0|0,1,0]=4 23456 B13R1.16 CC=CCSc1cccc(c1N)Br 62a_100010146558_100000070051 [0,3,0,0,0,0|0,1,0]=4 23457 B13R1.16 CC=CCSc1cccc(c1N)C 62a_100000070051_100011834072 [0,3,0,0,0,0|0,1,0]=4 23458 B13R1.16 CC=CCSc1cccc(c1N)C 62a_100011834072_100000070051 [0,3,0,0,0,0|0,1,0]=4 23459 B13R1.16 CC=CCSc1cccc(c1N)Cl 62a_100000070051_100010190421 [0,3,0,0,0,0|0,1,0]=4 23460 B13R1.16 CC=CCSc1cccc(c1N)Cl 62a_100010190421_100000070051 [0,3,0,0,0,0|0,1,0]=4 23461 B13R1.16 CC=CCSc1cccc(c1N)F 62a_100000042321_100000070051 [0,3,0,0,0,0|0,1,0]=4 23462 B13R1.16 CC=CCSc1cccc(c1N)F 62a_100000070051_100000042321 [0,3,0,0,0,0|0,1,0]=4 23463 B13R1.16 CC=CCSc1cccc(c1N)N 62a_100015191791_100000070051 [0,3,0,0,0,0|0,1,0]=4 23464 B13R1.16 CC=CCSc1cccc(c1N)O 62a_100000070051_100011934926 [0,3,0,0,0,0|0,1,0]=4 23465 B13R1.16 CC=CCSc1cccc(c1O)Br 62a_100000070051_100010084509 [0,3,0,0,0,0|0,1,0]=4 23466 B13R1.16 CC=CCSc1cccc(c1O)Br 62a_100010084509_100000070051 [0,3,0,0,0,0|0,1,0]=4 23467 B13R1.16 CC=CCSc1cccc(c1O)C 62a_100000070051_100009817157 [0,3,0,0,0,0|0,1,0]=4 23468 B13R1.16 CC=CCSc1cccc(c1O)C 62a_100009817157_100000070051 [0,3,0,0,0,0|0,1,0]=4 23469 B13R1.16 CC=CCSc1cccc(c1O)Cl 62a_100000070051_100010202889 [0,3,0,0,0,0|0,1,0]=4 23470 B13R1.16 CC=CCSc1cccc(c1O)Cl 62a_100010202889_100000070051 [0,3,0,0,0,0|0,1,0]=4 23471 B13R1.16 CC=CCSc1cccc(c1O)F 62a_100000070051_100009813666 [0,3,0,0,0,0|0,1,0]=4 23472 B13R1.16 CC=CCSc1cccc(c1O)F 62a_100009813666_100000070051 [0,3,0,0,0,0|0,1,0]=4 23473 B13R1.16 CC=CCSc1cccc(c1O)N 62a_100000070051_100010084371 [0,3,0,0,0,0|0,1,0]=4 23474 B13R1.16 CC=CCSc1cccc(c1O)N 62a_100011934915_100000070051 [0,3,0,0,0,0|0,1,0]=4 23475 B13R1.16 CC=CCSc1cccc(c1O)O 62a_100000070051_100009815950 [0,3,0,0,0,0|0,1,0]=4 23476 B13R1.16 Cc1c(cccc1COCC=O)Br 34a_100000694458_200009817547 [0,3,0,0,0,0|1,0,0]=4 23477 B13R1.16 Cc1c(cccc1COCC=O)Br 7a_100000694458_200015260668 [0,3,0,0,0,0|1,0,0]=4 23478 B13R1.16 Cc1c(cccc1COCC=O)Cl 34a_100012000165_200009817547 [0,3,0,0,0,0|1,0,0]=4 23479 B13R1.16 Cc1c(cccc1COCC=O)Cl 7a_100012000165_200015260668 [0,3,0,0,0,0|1,0,0]=4 23480 B13R1.16 Cc1c(cccc1COCC=O)F 34a_100000042775_200009817547 [0,3,0,0,0,0|1,0,0]=4 23481 B13R1.16 Cc1c(cccc1COCC=O)F 7a_100000042775_200015260668 [0,3,0,0,0,0|1,0,0]=4 23482 B13R1.16 Cc1c(cccc1COCC=O)I 34a_100010150139_200009817547 [0,3,0,0,0,0|1,0,0]=4 23483 B13R1.16 Cc1c(cccc1COCC=O)I 7a_100010150139_200015260668 [0,3,0,0,0,0|1,0,0]=4 23484 B13R1.16 Cc1c(cccc1COCC=O)N 34a_102495339961_200009817547 [0,3,0,0,0,0|1,0,0]=4 23485 B13R1.16 Cc1c(cccc1COCC=O)N 7a_102495339961_200015260668 [0,3,0,0,0,0|1,0,0]=4 23486 B13R1.16 Cc1cccc(c1Br)COCC=O 34a_100011659289_200009817547 [0,3,0,0,0,0|1,0,0]=4 23487 B13R1.16 Cc1cccc(c1Br)COCC=O 7a_100011659289_200015260668 [0,3,0,0,0,0|1,0,0]=4 23488 B13R1.16 Cc1cccc(c1C)COCC=O 34a_100011219135_200009817547 [0,3,0,0,0,0|1,0,0]=4 23489 B13R1.16 Cc1cccc(c1C)COCC=O 7a_100011219135_200015260668 [0,3,0,0,0,0|1,0,0]=4 23490 B13R1.16 Cc1cccc(c1Cl)COCC=O 34a_100000710031_200009817547 [0,3,0,0,0,0|1,0,0]=4 23491 B13R1.16 Cc1cccc(c1Cl)COCC=O 7a_100000710031_200015260668 [0,3,0,0,0,0|1,0,0]=4 23492 B13R1.16 Cc1cccc(c1F)COCC=O 34a_200011219517_200009817547 [0,3,0,0,0,0|1,0,0]=4 23493 B13R1.16 Cc1cccc(c1F)COCC=O 7a_200011219517_200015260668 [0,3,0,0,0,0|1,0,0]=4 23494 B13R1.16 Cc1cccc(c1I)COCC=O 34a_100012349780_200009817547 [0,3,0,0,0,0|1,0,0]=4 23495 B13R1.16 Cc1cccc(c1I)COCC=O 7a_100012349780_200015260668 [0,3,0,0,0,0|1,0,0]=4 23496 B13R1.16 Cc1cccc(c1N)COCC=O 34a_100011215590_200009817547 [0,3,0,0,0,0|1,0,0]=4 23497 B13R1.16 Nc1c(cccc1COCC=O)Br 34a_100012349457_200009817547 [0,3,0,0,0,0|1,0,0]=4 23498 B13R1.16 Nc1c(cccc1COCC=O)Cl 34a_100012182729_200009817547 [0,3,0,0,0,0|1,0,0]=4 23499 B13R1.16 Nc1c(cccc1COCC=O)F 34a_100000692437_200009817547 [0,3,0,0,0,0|1,0,0]=4 23500 B13R1.16 Nc1cccc(c1F)COCC=O 34a_100012023829_200009817547 [0,3,0,0,0,0|1,0,0]=4 23501 B13R1.16 O=CCOCc1cccc(c1Br)Cl 34a_100010168166_200009817547 [0,3,0,0,0,0|1,0,0]=4 23502 B13R1.16 O=CCOCc1cccc(c1Br)Cl 7a_100010168166_200015260668 [0,3,0,0,0,0|1,0,0]=4 23503 B13R1.16 O=CCOCc1cccc(c1Br)F 34a_100012351117_200009817547 [0,3,0,0,0,0|1,0,0]=4 23504 B13R1.16 O=CCOCc1cccc(c1Br)F 7a_100012351117_200015260668 [0,3,0,0,0,0|1,0,0]=4 23505 B13R1.16 O=CCOCc1cccc(c1Br)I 34a_100010240205_200009817547 [0,3,0,0,0,0|1,0,0]=4 23506 B13R1.16 O=CCOCc1cccc(c1Br)I 7a_100010240205_200015260668 [0,3,0,0,0,0|1,0,0]=4 23507 B13R1.16 O=CCOCc1cccc(c1Cl)Br 34a_100012351182_200009817547 [0,3,0,0,0,0|1,0,0]=4 23508 B13R1.16 O=CCOCc1cccc(c1Cl)Br 7a_100012351182_200015260668 [0,3,0,0,0,0|1,0,0]=4 23509 B13R1.16 O=CCOCc1cccc(c1Cl)Cl 34a_100000720469_200009817547 [0,3,0,0,0,0|1,0,0]=4 23510 B13R1.16 O=CCOCc1cccc(c1Cl)Cl 7a_100000720469_200015260668 [0,3,0,0,0,0|1,0,0]=4 23511 B13R1.16 O=CCOCc1cccc(c1Cl)F 34a_100000696319_200009817547 [0,3,0,0,0,0|1,0,0]=4 23512 B13R1.16 O=CCOCc1cccc(c1Cl)F 7a_100000696319_200015260668 [0,3,0,0,0,0|1,0,0]=4 23513 B13R1.16 O=CCOCc1cccc(c1F)Br 34a_100011935076_200009817547 [0,3,0,0,0,0|1,0,0]=4 23514 B13R1.16 O=CCOCc1cccc(c1F)Br 7a_100011935076_200015260668 [0,3,0,0,0,0|1,0,0]=4 23515 B13R1.16 O=CCOCc1cccc(c1F)Cl 34a_100011216988_200009817547 [0,3,0,0,0,0|1,0,0]=4 23516 B13R1.16 O=CCOCc1cccc(c1F)Cl 7a_100011216988_200015260668 [0,3,0,0,0,0|1,0,0]=4 23517 B13R1.16 O=CCOCc1cccc(c1F)F 34a_100011218644_200009817547 [0,3,0,0,0,0|1,0,0]=4 23518 B13R1.16 O=CCOCc1cccc(c1F)F 7a_100011218644_200015260668 [0,3,0,0,0,0|1,0,0]=4 23519 B13R1.16 O=CCOCc1cccc(c1F)I 34a_200010235739_200009817547 [0,3,0,0,0,0|1,0,0]=4 23520 B13R1.16 O=CCOCc1cccc(c1F)I 7a_200010235739_200015260668 [0,3,0,0,0,0|1,0,0]=4 23521 B13R1.16 O=CCOCc1cccc(c1I)Br 34a_100010146604_200009817547 [0,3,0,0,0,0|1,0,0]=4 23522 B13R1.16 O=CCOCc1cccc(c1I)Br 7a_100010146604_200015260668 [0,3,0,0,0,0|1,0,0]=4 23523 B13R1.16 O=CCOCc1cccc(c1I)F 34a_100000692438_200009817547 [0,3,0,0,0,0|1,0,0]=4 23524 B13R1.16 O=CCOCc1cccc(c1I)F 7a_100000692438_200015260668 [0,3,0,0,0,0|1,0,0]=4 23525 B13R1.40 C=CC(C)Sc1cccc(c1Br)Br 62a_100011215867_100010175083 [0,3,0,0,0,0|0,1,0]=4 23526 B13R1.40 C=CC(C)Sc1cccc(c1Br)C 62a_100011215867_100012362457 [0,3,0,0,0,0|0,1,0]=4 23527 B13R1.40 C=CC(C)Sc1cccc(c1Br)Cl 62a_100011215867_100014021842 [0,3,0,0,0,0|0,1,0]=4 23528 B13R1.40 C=CC(C)Sc1cccc(c1Br)F 62a_100011215867_100010202630 [0,3,0,0,0,0|0,1,0]=4 23529 B13R1.40 C=CC(C)Sc1cccc(c1Br)O 62a_100011215867_100010187914 [0,3,0,0,0,0|0,1,0]=4 23530 B13R1.40 C=CC(C)Sc1cccc(c1C)Br 62a_100011215867_100012353703 [0,3,0,0,0,0|0,1,0]=4 23531 B13R1.40 C=CC(C)Sc1cccc(c1C)C 62a_100011215867_100011214922 [0,3,0,0,0,0|0,1,0]=4 23532 B13R1.40 C=CC(C)Sc1cccc(c1C)Cl 62a_100011215867_100000726075 [0,3,0,0,0,0|0,1,0]=4 23533 B13R1.40 C=CC(C)Sc1cccc(c1C)F 62a_100011215867_100011216893 [0,3,0,0,0,0|0,1,0]=4 23534 B13R1.40 C=CC(C)Sc1cccc(c1C)N 62a_100011215867_100000761887 [0,3,0,0,0,0|0,1,0]=4 23535 B13R1.40 C=CC(C)Sc1cccc(c1C)O 62a_100011215867_100012002258 [0,3,0,0,0,0|0,1,0]=4 23536 B13R1.40 C=CC(C)Sc1cccc(c1Cl)Br 62a_100011215867_100010142854 [0,3,0,0,0,0|0,1,0]=4 23537 B13R1.40 C=CC(C)Sc1cccc(c1Cl)C 62a_100011215867_200012352035 [0,3,0,0,0,0|0,1,0]=4 23538 B13R1.40 C=CC(C)Sc1cccc(c1Cl)Cl 62a_100011215867_100011215384 [0,3,0,0,0,0|0,1,0]=4 23539 B13R1.40 C=CC(C)Sc1cccc(c1Cl)F 62a_100011215867_200010234923 [0,3,0,0,0,0|0,1,0]=4 23540 B13R1.40 C=CC(C)Sc1cccc(c1Cl)O 62a_100011215867_100000049636 [0,3,0,0,0,0|0,1,0]=4 23541 B13R1.40 C=CC(C)Sc1cccc(c1F)Br 62a_100011215867_100000702267 [0,3,0,0,0,0|0,1,0]=4 23542 B13R1.40 C=CC(C)Sc1cccc(c1F)C 62a_100011215867_100000717567 [0,3,0,0,0,0|0,1,0]=4 23543 B13R1.40 C=CC(C)Sc1cccc(c1F)Cl 62a_100011215867_100011217346 [0,3,0,0,0,0|0,1,0]=4 23544 B13R1.40 C=CC(C)Sc1cccc(c1F)F 62a_100011215867_100000694657 [0,3,0,0,0,0|0,1,0]=4 23545 B13R1.40 C=CC(C)Sc1cccc(c1F)N 62a_100011215867_100011935091 [0,3,0,0,0,0|0,1,0]=4 23546 B13R1.40 C=CC(C)Sc1cccc(c1F)O 62a_100011215867_100009817021 [0,3,0,0,0,0|0,1,0]=4 23547 B13R1.40 C=CC(C)Sc1cccc(c1N)Br 62a_100011215867_100010146558 [0,3,0,0,0,0|0,1,0]=4 23548 B13R1.40 C=CC(C)Sc1cccc(c1N)C 62a_100011215867_100011834072 [0,3,0,0,0,0|0,1,0]=4 23549 B13R1.40 C=CC(C)Sc1cccc(c1N)Cl 62a_100011215867_100010190421 [0,3,0,0,0,0|0,1,0]=4 23550 B13R1.40 C=CC(C)Sc1cccc(c1N)F 62a_100011215867_100000042321 [0,3,0,0,0,0|0,1,0]=4 23551 B13R1.40 C=CC(C)Sc1cccc(c1N)O 62a_100011215867_100011934926 [0,3,0,0,0,0|0,1,0]=4 23552 B13R1.40 C=CC(C)Sc1cccc(c1O)Br 62a_100011215867_100010084509 [0,3,0,0,0,0|0,1,0]=4 23553 B13R1.40 C=CC(C)Sc1cccc(c1O)C 62a_100011215867_100009817157 [0,3,0,0,0,0|0,1,0]=4 23554 B13R1.40 C=CC(C)Sc1cccc(c1O)Cl 62a_100011215867_100010202889 [0,3,0,0,0,0|0,1,0]=4 23555 B13R1.40 C=CC(C)Sc1cccc(c1O)F 62a_100011215867_100009813666 [0,3,0,0,0,0|0,1,0]=4 23556 B13R1.40 C=CC(C)Sc1cccc(c1O)N 62a_100011215867_100010084371 [0,3,0,0,0,0|0,1,0]=4 23557 B13R1.40 C=CC(C)Sc1cccc(c1O)O 62a_100011215867_100009815950 [0,3,0,0,0,0|0,1,0]=4 23558 B13R1.123 C=CCNc1cc(cc(c1Br)Cl)Cl 34a_200010220950_100015514636 [0,3,0,0,0,0|1,0,0]=4 23559 B13R1.123 C=CCNc1cc(cc(c1Br)Cl)Cl 7a_200010220950_100015514636 [0,3,0,0,0,0|1,0,0]=4 23560 B13R1.123 C=CCNc1cc(cc(c1Br)F)F 34a_100000716482_100015514636 [0,3,0,0,0,0|1,0,0]=4 23561 B13R1.123 C=CCNc1cc(cc(c1Br)F)F 7a_100000716482_100015514636 [0,3,0,0,0,0|1,0,0]=4 23562 B13R1.123 C=CCNc1cc(cc(c1C)Br)Br 34a_100010206801_100015514636 [0,3,0,0,0,0|1,0,0]=4 23563 B13R1.123 C=CCNc1cc(cc(c1C)Br)Br 7a_100010206801_100015514636 [0,3,0,0,0,0|1,0,0]=4 23564 B13R1.123 C=CCNc1cc(cc(c1C)Br)C 2230a_102495365385_100000210623 [0,3,0,0,0,0|1,0,0]=4 23565 B13R1.123 C=CCNc1cc(cc(c1C)Br)C 34a_102495365385_100015514636 [0,3,0,0,0,0|1,0,0]=4 23566 B13R1.123 C=CCNc1cc(cc(c1C)Br)C 7a_102495365385_100015514636 [0,3,0,0,0,0|1,0,0]=4 23567 B13R1.123 C=CCNc1cc(cc(c1C)Br)Cl 34a_100010063005_100015514636 [0,3,0,0,0,0|1,0,0]=4 23568 B13R1.123 C=CCNc1cc(cc(c1C)Br)Cl 7a_100010063005_100015514636 [0,3,0,0,0,0|1,0,0]=4 23569 B13R1.123 C=CCNc1cc(cc(c1C)Br)F 34a_100009814351_100015514636 [0,3,0,0,0,0|1,0,0]=4 23570 B13R1.123 C=CCNc1cc(cc(c1C)Br)F 7a_100009814351_100015514636 [0,3,0,0,0,0|1,0,0]=4 23571 B13R1.123 C=CCNc1cc(cc(c1C)C)C 2230a_100000035412_100000210623 [0,3,0,0,0,0|1,0,0]=4 23572 B13R1.123 C=CCNc1cc(cc(c1C)C)C 34a_100000035412_100015514636 [0,3,0,0,0,0|1,0,0]=4 23573 B13R1.123 C=CCNc1cc(cc(c1C)C)C 7a_100000035412_100015514636 [0,3,0,0,0,0|1,0,0]=4 23574 B13R1.123 C=CCNc1cc(cc(c1C)Cl)Cl 34a_200009956477_100015514636 [0,3,0,0,0,0|1,0,0]=4 23575 B13R1.123 C=CCNc1cc(cc(c1C)Cl)Cl 7a_200009956477_100015514636 [0,3,0,0,0,0|1,0,0]=4 23576 B13R1.123 C=CCNc1cc(cc(c1C)F)Br 34a_100009813729_100015514636 [0,3,0,0,0,0|1,0,0]=4 23577 B13R1.123 C=CCNc1cc(cc(c1C)F)Br 7a_100009813729_100015514636 [0,3,0,0,0,0|1,0,0]=4 23578 B13R1.123 C=CCNc1cc(cc(c1C)I)Cl 34a_200000050010_100015514636 [0,3,0,0,0,0|1,0,0]=4 23579 B13R1.123 C=CCNc1cc(cc(c1C)I)Cl 7a_200000050010_100015514636 [0,3,0,0,0,0|1,0,0]=4 23580 B13R1.123 C=CCNc1cc(cc(c1Cl)Cl)Cl 34a_106623411496_100015514636 [0,3,0,0,0,0|1,0,0]=4 23581 B13R1.123 C=CCNc1cc(cc(c1Cl)Cl)Cl 7a_106623411496_100015514636 [0,3,0,0,0,0|1,0,0]=4 23582 B13R1.123 C=CCNc1cc(cc(c1Cl)F)F 34a_100000037168_100015514636 [0,3,0,0,0,0|1,0,0]=4 23583 B13R1.123 C=CCNc1cc(cc(c1Cl)F)F 7a_100000037168_100015514636 [0,3,0,0,0,0|1,0,0]=4 23584 B13R1.123 C=CCNc1cc(cc(c1F)Br)C 2230a_100010589139_100000210623 [0,3,0,0,0,0|1,0,0]=4 23585 B13R1.123 C=CCNc1cc(cc(c1F)Br)C 34a_100010589139_100015514636 [0,3,0,0,0,0|1,0,0]=4 23586 B13R1.123 C=CCNc1cc(cc(c1F)Br)C 7a_100010589139_100015514636 [0,3,0,0,0,0|1,0,0]=4 23587 B13R1.123 C=CCNc1cc(cc(c1F)Br)Cl 34a_100010110407_100015514636 [0,3,0,0,0,0|1,0,0]=4 23588 B13R1.123 C=CCNc1cc(cc(c1F)Br)Cl 7a_100010110407_100015514636 [0,3,0,0,0,0|1,0,0]=4 23589 B13R1.123 C=CCNc1cc(cc(c1F)Br)F 34a_100000722353_100015514636 [0,3,0,0,0,0|1,0,0]=4 23590 B13R1.123 C=CCNc1cc(cc(c1F)Br)F 7a_100000722353_100015514636 [0,3,0,0,0,0|1,0,0]=4 23591 B13R1.123 C=CCNc1cc(cc(c1F)C)Br 34a_100010381932_100015514636 [0,3,0,0,0,0|1,0,0]=4 23592 B13R1.123 C=CCNc1cc(cc(c1F)C)Br 7a_100010381932_100015514636 [0,3,0,0,0,0|1,0,0]=4 23593 B13R1.123 C=CCNc1cc(cc(c1F)Cl)Cl 34a_100010713094_100015514636 [0,3,0,0,0,0|1,0,0]=4 23594 B13R1.123 C=CCNc1cc(cc(c1F)Cl)Cl 7a_100010713094_100015514636 [0,3,0,0,0,0|1,0,0]=4 23595 B13R1.123 C=CCNc1cc(cc(c1F)F)F 34a_100000037171_100015514636 [0,3,0,0,0,0|1,0,0]=4 23596 B13R1.123 C=CCNc1cc(cc(c1F)F)F 7a_100000037171_100015514636 [0,3,0,0,0,0|1,0,0]=4 23597 B13R1.123 C=CCNc1cc(cc(c1I)Br)F 34a_200010740111_100015514636 [0,3,0,0,0,0|1,0,0]=4 23598 B13R1.123 C=CCNc1cc(cc(c1I)C)Cl 34a_100000698757_100015514636 [0,3,0,0,0,0|1,0,0]=4 23599 B13R1.123 C=CCNc1cc(cc(c1I)C)Cl 7a_100000698757_100015514636 [0,3,0,0,0,0|1,0,0]=4 23600 B13R1.123 C=CCNc1cc(cc(c1I)F)C 34a_100021129147_100015514636 [0,3,0,0,0,0|1,0,0]=4 23601 B13R1.123 C=CCNc1cc(cc(c1I)F)C 7a_100021129147_100015514636 [0,3,0,0,0,0|1,0,0]=4 23602 B13R1.123 C=CCNc1cc(cc(c1I)F)Cl 34a_200021297760_100015514636 [0,3,0,0,0,0|1,0,0]=4 23603 B13R1.123 C=CCNc1cc(cc(c1I)F)Cl 7a_200021297760_100015514636 [0,3,0,0,0,0|1,0,0]=4 23604 B13R1.123 C=CCNc1cc(cc(c1I)F)F 34a_100016149863_100015514636 [0,3,0,0,0,0|1,0,0]=4 23605 B13R1.123 C=CCNc1cc(cc(c1I)F)F 7a_100016149863_100015514636 [0,3,0,0,0,0|1,0,0]=4 23606 B13R1.123 C=CCNc1cc(cc(c1O)Br)Br 34a_100010781877_100015514636 [0,3,0,0,0,0|1,0,0]=4 23607 B13R1.123 C=CCNc1cc(cc(c1O)Br)Cl 34a_106741647128_100015514636 [0,3,0,0,0,0|1,0,0]=4 23608 B13R1.123 C=CCNc1cc(cc(c1O)Br)F 34a_200011217456_100015514636 [0,3,0,0,0,0|1,0,0]=4 23609 B13R1.123 C=CCNc1cc(cc(c1O)C)Br 34a_100011825904_100015514636 [0,3,0,0,0,0|1,0,0]=4 23610 B13R1.123 C=CCNc1cc(cc(c1O)C)Br 7a_100011825904_100015514636 [0,3,0,0,0,0|1,0,0]=4 23611 B13R1.123 C=CCNc1cc(cc(c1O)C)C 34a_100011216242_100015514636 [0,3,0,0,0,0|1,0,0]=4 23612 B13R1.123 C=CCNc1cc(cc(c1O)C)C 7a_100011216242_100015514636 [0,3,0,0,0,0|1,0,0]=4 23613 B13R1.123 C=CCNc1cc(cc(c1O)C)F 34a_100000130126_100015514636 [0,3,0,0,0,0|1,0,0]=4 23614 B13R1.123 C=CCNc1cc(cc(c1O)C)F 7a_100000130126_100015514636 [0,3,0,0,0,0|1,0,0]=4 23615 B13R1.123 C=CCNc1cc(cc(c1O)Cl)Br 34a_100000694353_100015514636 [0,3,0,0,0,0|1,0,0]=4 23616 B13R1.123 C=CCNc1cc(cc(c1O)Cl)Cl 34a_100000695819_100015514636 [0,3,0,0,0,0|1,0,0]=4 23617 B13R1.123 C=CCNc1cc(cc(c1O)F)Br 34a_100011217383_100015514636 [0,3,0,0,0,0|1,0,0]=4 23618 B13R1.123 C=CCNc1cc(cc(c1O)F)Br 7a_100011217383_100015514636 [0,3,0,0,0,0|1,0,0]=4 23619 B13R1.123 C=CCNc1cc(cc(c1O)F)F 34a_100015205836_100015514636 [0,3,0,0,0,0|1,0,0]=4 23620 B13R1.123 C=CCOc1cc(=O)[nH]c(c1C)C 34a_200000102741_100015514636 [0,3,0,0,0,0|1,0,0]=4 23621 B13R1.123 C=CCOc1cc(=O)[nH]c(c1C)C 7a_200000102741_100015514636 [0,3,0,0,0,0|1,0,0]=4 23622 B13R1.123 C=CCOc1cc([nH]c(=O)c1C)C 34a_200000102746_100015514636 [0,3,0,0,0,0|1,0,0]=4 23623 B13R1.123 C=CCOc1cc(cc(c1Br)C)C 34a_100010342985_100015514636 [0,3,0,0,0,0|0,0,0]=3 23624 B13R1.123 C=CCOc1cc(cc(c1Br)C)C 7a_100010342985_100015514636 [0,3,0,0,0,0|0,0,0]=3 23625 B13R1.123 C=CCOc1cc(cc(c1Br)F)Cl 34a_100015539415_100015514636 [0,3,0,0,0,0|0,0,0]=3 23626 B13R1.123 C=CCOc1cc(cc(c1Br)F)Cl 7a_100015539415_100015514636 [0,3,0,0,0,0|0,0,0]=3 23627 B13R1.123 C=CCOc1cc(cc(c1Br)F)F 34a_100009815984_100015514636 [0,3,0,0,0,0|0,0,0]=3 23628 B13R1.123 C=CCOc1cc(cc(c1Br)F)F 7a_100009815984_100015514636 [0,3,0,0,0,0|0,0,0]=3 23629 B13R1.123 C=CCOc1cc(cc(c1C)C)C 34a_100000230004_100015514636 [0,3,0,0,0,0|0,0,0]=3 23630 B13R1.123 C=CCOc1cc(cc(c1C)C)C 7a_100000230004_100015514636 [0,3,0,0,0,0|0,0,0]=3 23631 B13R1.123 C=CCOc1cc(cc(c1Cl)C)C 34a_100000094344_100015514636 [0,3,0,0,0,0|0,0,0]=3 23632 B13R1.123 C=CCOc1cc(cc(c1Cl)C)C 7a_100000094344_100015514636 [0,3,0,0,0,0|0,0,0]=3 23633 B13R1.123 C=CCOc1cc(cc(c1Cl)Cl)N 34a_100015839415_100015514636 [0,3,0,0,0,0|0,0,0]=3 23634 B13R1.123 C=CCOc1cc(cc(c1Cl)Cl)N 7a_100015839415_100015514636 [0,3,0,0,0,0|0,0,0]=3 23635 B13R1.123 C=CCOc1cc(cc(c1Cl)F)Br 34a_100010981968_100015514636 [0,3,0,0,0,0|0,0,0]=3 23636 B13R1.123 C=CCOc1cc(cc(c1Cl)F)Br 7a_100010981968_100015514636 [0,3,0,0,0,0|0,0,0]=3 23637 B13R1.123 C=CCOc1cc(cc(c1Cl)F)F 34a_200000037661_100015514636 [0,3,0,0,0,0|0,0,0]=3 23638 B13R1.123 C=CCOc1cc(cc(c1Cl)F)F 7a_200000037661_100015514636 [0,3,0,0,0,0|0,0,0]=3 23639 B13R1.123 C=CCOc1cc(cc(c1F)Cl)Br 34a_100010077842_100015514636 [0,3,0,0,0,0|0,0,0]=3 23640 B13R1.123 C=CCOc1cc(cc(c1F)Cl)Br 7a_100010077842_100015514636 [0,3,0,0,0,0|0,0,0]=3 23641 B13R1.123 C=CCOc1cc(cc(c1F)F)Br 34a_100000709865_100015514636 [0,3,0,0,0,0|0,0,0]=3 23642 B13R1.123 C=CCOc1cc(cc(c1F)F)Br 7a_100000709865_100015514636 [0,3,0,0,0,0|0,0,0]=3 23643 B13R1.123 C=CCOc1cc(cc(c1F)F)F 34a_200011215507_100015514636 [0,3,0,0,0,0|0,0,0]=3 23644 B13R1.123 C=CCOc1cc(cc(c1F)F)F 7a_200011215507_100015514636 [0,3,0,0,0,0|0,0,0]=3 23645 B13R1.123 C=CCOc1cc(cc(c1I)C)Cl 34a_100010254216_100015514636 [0,3,0,0,0,0|0,0,0]=3 23646 B13R1.123 C=CCOc1cc(cc(c1I)C)Cl 7a_100010254216_100015514636 [0,3,0,0,0,0|0,0,0]=3 23647 B13R1.123 C=CCOc1cc(cc(c1N)Br)Cl 34a_100015696055_100015514636 [0,3,0,0,0,0|0,0,0]=3 23648 B13R1.123 C=CCOc1cc(cc(c1N)Br)Cl 7a_100015696055_100015514636 [0,3,0,0,0,0|0,0,0]=3 23649 B13R1.123 C=CCOc1cc(cc(c1N)C)Br 34a_100010371313_100015514636 [0,3,0,0,0,0|0,0,0]=3 23650 B13R1.123 C=CCOc1cc(cc(c1N)C)Br 7a_100010371313_100015514636 [0,3,0,0,0,0|0,0,0]=3 23651 B13R1.123 C=CCOc1cc(cc(c1N)Cl)C 34a_100015906060_100015514636 [0,3,0,0,0,0|0,0,0]=3 23652 B13R1.123 C=CCOc1cc(cc(c1N)Cl)C 7a_100015906060_100015514636 [0,3,0,0,0,0|0,0,0]=3 23653 B13R1.123 C=CCOc1cc(cc(c1N)F)Br 34a_100015475841_100015514636 [0,3,0,0,0,0|0,0,0]=3 23654 B13R1.123 C=CCOc1cc(cc(c1N)F)Br 7a_100015475841_100015514636 [0,3,0,0,0,0|0,0,0]=3 23655 B13R1.123 C=CCOc1cc(cc(c1N)F)Cl 34a_100010883250_100015514636 [0,3,0,0,0,0|0,0,0]=3 23656 B13R1.123 C=CCOc1cc(cc(c1N)F)Cl 7a_100010883250_100015514636 [0,3,0,0,0,0|0,0,0]=3 23657 B13R1.123 C=CCOc1cc(cc(c1N)F)F 34a_100011217947_100015514636 [0,3,0,0,0,0|0,0,0]=3 23658 B13R1.123 C=CCOc1cc(cc(c1N)F)F 7a_100011217947_100015514636 [0,3,0,0,0,0|0,0,0]=3 23659 B13R1.123 C=CCSc1cc(cc(c1Br)F)F 62a_100000210623_100010256416 [0,3,0,0,0,0|0,1,0]=4 23660 B13R1.123 C=CCSc1cc(cc(c1Br)F)F 62a_100010256416_100000210623 [0,3,0,0,0,0|0,1,0]=4 23661 B13R1.123 C=CCSc1cc(cc(c1C)C)N 62a_100000210623_100010368239 [0,3,0,0,0,0|0,1,0]=4 23662 B13R1.123 C=CCSc1cc(cc(c1C)C)N 62a_100010368239_100000210623 [0,3,0,0,0,0|0,1,0]=4 23663 B13R1.123 C=CCSc1cc(cc(c1C)C)O 62a_100000210623_100010068915 [0,3,0,0,0,0|0,1,0]=4 23664 B13R1.123 C=CCSc1cc(cc(c1C)C)O 62a_100010068915_100000210623 [0,3,0,0,0,0|0,1,0]=4 23665 B13R1.123 C=CCSc1cc(cc(c1C)F)C 62a_100000210623_100015473476 [0,3,0,0,0,0|0,1,0]=4 23666 B13R1.123 C=CCSc1cc(cc(c1C)F)C 62a_100015473476_100000210623 [0,3,0,0,0,0|0,1,0]=4 23667 B13R1.123 C=CCSc1cc(cc(c1C)F)F 62a_100000210623_100015579730 [0,3,0,0,0,0|0,1,0]=4 23668 B13R1.123 C=CCSc1cc(cc(c1C)F)F 62a_100015579730_100000210623 [0,3,0,0,0,0|0,1,0]=4 23669 B13R1.123 C=CCSc1cc(cc(c1C)F)N 62a_100000210623_100010254531 [0,3,0,0,0,0|0,1,0]=4 23670 B13R1.123 C=CCSc1cc(cc(c1C)F)N 62a_100010254531_100000210623 [0,3,0,0,0,0|0,1,0]=4 23671 B13R1.123 C=CCSc1cc(cc(c1C)N)C 62a_100000210623_102495365385 [0,3,0,0,0,0|0,1,0]=4 23672 B13R1.123 C=CCSc1cc(cc(c1C)N)C 62a_102495365385_100000210623 [0,3,0,0,0,0|0,1,0]=4 23673 B13R1.123 C=CCSc1cc(cc(c1C)N)Cl 62a_100000210623_200000050010 [0,3,0,0,0,0|0,1,0]=4 23674 B13R1.123 C=CCSc1cc(cc(c1C)N)Cl 62a_200000050010_100000210623 [0,3,0,0,0,0|0,1,0]=4 23675 B13R1.123 C=CCSc1cc(cc(c1C)N)F 62a_100000210623_100009814351 [0,3,0,0,0,0|0,1,0]=4 23676 B13R1.123 C=CCSc1cc(cc(c1C)N)F 62a_100009814351_100000210623 [0,3,0,0,0,0|0,1,0]=4 23677 B13R1.123 C=CCSc1cc(cc(c1Cl)Cl)Cl 62a_100000210623_200000042848 [0,3,0,0,0,0|0,1,0]=4 23678 B13R1.123 C=CCSc1cc(cc(c1Cl)Cl)Cl 62a_200000042848_100000210623 [0,3,0,0,0,0|0,1,0]=4 23679 B13R1.123 C=CCSc1cc(cc(c1F)C)C 62a_100000210623_200010204574 [0,3,0,0,0,0|0,1,0]=4 23680 B13R1.123 C=CCSc1cc(cc(c1F)C)C 62a_200010204574_100000210623 [0,3,0,0,0,0|0,1,0]=4 23681 B13R1.123 C=CCSc1cc(cc(c1F)C)F 62a_100000210623_100010291795 [0,3,0,0,0,0|0,1,0]=4 23682 B13R1.123 C=CCSc1cc(cc(c1F)C)F 62a_100010291795_100000210623 [0,3,0,0,0,0|0,1,0]=4 23683 B13R1.123 C=CCSc1cc(cc(c1F)Cl)Br 62a_100000210623_100010270166 [0,3,0,0,0,0|0,1,0]=4 23684 B13R1.123 C=CCSc1cc(cc(c1F)Cl)Br 62a_100010270166_100000210623 [0,3,0,0,0,0|0,1,0]=4 23685 B13R1.123 C=CCSc1cc(cc(c1F)F)C 62a_100000210623_100010141297 [0,3,0,0,0,0|0,1,0]=4 23686 B13R1.123 C=CCSc1cc(cc(c1F)F)C 62a_100010141297_100000210623 [0,3,0,0,0,0|0,1,0]=4 23687 B13R1.123 C=CCSc1cc(cc(c1F)F)F 62a_100000210623_100000724850 [0,3,0,0,0,0|0,1,0]=4 23688 B13R1.123 C=CCSc1cc(cc(c1F)F)F 62a_100000724850_100000210623 [0,3,0,0,0,0|0,1,0]=4 23689 B13R1.123 C=CCSc1cc(cc(c1F)F)N 62a_100000210623_100009816004 [0,3,0,0,0,0|0,1,0]=4 23690 B13R1.123 C=CCSc1cc(cc(c1F)F)N 62a_100009816004_100000210623 [0,3,0,0,0,0|0,1,0]=4 23691 B13R1.123 C=CCSc1cc(cc(c1F)N)C 62a_100000210623_100010589139 [0,3,0,0,0,0|0,1,0]=4 23692 B13R1.123 C=CCSc1cc(cc(c1F)N)C 62a_100010589139_100000210623 [0,3,0,0,0,0|0,1,0]=4 23693 B13R1.123 C=CCSc1cc(cc(c1F)N)F 62a_100000210623_100000722353 [0,3,0,0,0,0|0,1,0]=4 23694 B13R1.123 C=CCSc1cc(cc(c1F)N)F 62a_100000722353_100000210623 [0,3,0,0,0,0|0,1,0]=4 23695 B13R1.123 C=CCSc1cc(cc(c1N)Br)Cl 62a_100000210623_200012970264 [0,3,0,0,0,0|0,1,0]=4 23696 B13R1.123 C=CCSc1cc(cc(c1N)Br)Cl 62a_200012970264_100000210623 [0,3,0,0,0,0|0,1,0]=4 23697 B13R1.123 C=CCSc1cc(cc(c1N)C)Br 62a_100000210623_200000690823 [0,3,0,0,0,0|0,1,0]=4 23698 B13R1.123 C=CCSc1cc(cc(c1N)C)Br 62a_200000690823_100000210623 [0,3,0,0,0,0|0,1,0]=4 23699 B13R1.123 C=CCSc1cc(cc(c1N)C)C 62a_100000210623_100000688863 [0,3,0,0,0,0|0,1,0]=4 23700 B13R1.123 C=CCSc1cc(cc(c1N)C)C 62a_100000688863_100000210623 [0,3,0,0,0,0|0,1,0]=4 23701 B13R1.123 C=CCSc1cc(cc(c1N)C)Cl 62a_100000210623_100012344046 [0,3,0,0,0,0|0,1,0]=4 23702 B13R1.123 C=CCSc1cc(cc(c1N)C)Cl 62a_100012344046_100000210623 [0,3,0,0,0,0|0,1,0]=4 23703 B13R1.123 C=CCSc1cc(cc(c1N)C)F 62a_100000210623_100011216670 [0,3,0,0,0,0|0,1,0]=4 23704 B13R1.123 C=CCSc1cc(cc(c1N)C)F 62a_100011216670_100000210623 [0,3,0,0,0,0|0,1,0]=4 23705 B13R1.123 C=CCSc1cc(cc(c1N)Cl)Cl 62a_100000210623_100011216899 [0,3,0,0,0,0|0,1,0]=4 23706 B13R1.123 C=CCSc1cc(cc(c1N)Cl)Cl 62a_100011216899_100000210623 [0,3,0,0,0,0|0,1,0]=4 23707 B13R1.123 C=CCSc1cc(cc(c1N)F)Br 62a_100000210623_100012970276 [0,3,0,0,0,0|0,1,0]=4 23708 B13R1.123 C=CCSc1cc(cc(c1N)F)Br 62a_100012970276_100000210623 [0,3,0,0,0,0|0,1,0]=4 23709 B13R1.123 C=CCSc1cc(cc(c1N)F)C 62a_100000210623_100012353694 [0,3,0,0,0,0|0,1,0]=4 23710 B13R1.123 C=CCSc1cc(cc(c1N)F)C 62a_100012353694_100000210623 [0,3,0,0,0,0|0,1,0]=4 23711 B13R1.123 C=CCSc1cc(cc(c1N)F)Cl 62a_100000210623_100011214900 [0,3,0,0,0,0|0,1,0]=4 23712 B13R1.123 C=CCSc1cc(cc(c1N)F)Cl 62a_100011214900_100000210623 [0,3,0,0,0,0|0,1,0]=4 23713 B13R1.123 C=CCSc1cc(cc(c1N)F)F 62a_100000210623_100000211602 [0,3,0,0,0,0|0,1,0]=4 23714 B13R1.123 C=CCSc1cc(cc(c1N)F)F 62a_100000211602_100000210623 [0,3,0,0,0,0|0,1,0]=4 23715 B13R1.123 C=CCSc1cc(cc(c1N)N)C 62a_100000210623_100012348275 [0,3,0,0,0,0|0,1,0]=4 23716 B13R1.123 C=CCSc1cc(cc(c1N)N)C 62a_100012348275_100000210623 [0,3,0,0,0,0|0,1,0]=4 23717 B13R1.123 C=CCSc1cc(cc(c1N)N)F 62a_100000210623_100011934818 [0,3,0,0,0,0|0,1,0]=4 23718 B13R1.123 C=CCSc1cc(cc(c1N)N)F 62a_100011934818_100000210623 [0,3,0,0,0,0|0,1,0]=4 23719 B13R1.123 C=CCSc1cc(cc(c1O)Br)F 62a_100000210623_200013085147 [0,3,0,0,0,0|0,1,0]=4 23720 B13R1.123 C=CCSc1cc(cc(c1O)Br)F 62a_200013085147_100000210623 [0,3,0,0,0,0|0,1,0]=4 23721 B13R1.123 C=CCSc1cc(cc(c1O)C)C 62a_100000210623_100011934984 [0,3,0,0,0,0|0,1,0]=4 23722 B13R1.123 C=CCSc1cc(cc(c1O)C)C 62a_100011934984_100000210623 [0,3,0,0,0,0|0,1,0]=4 23723 B13R1.123 C=CCSc1cc(cc(c1O)C)Cl 62a_100000210623_100012343667 [0,3,0,0,0,0|0,1,0]=4 23724 B13R1.123 C=CCSc1cc(cc(c1O)C)Cl 62a_100012343667_100000210623 [0,3,0,0,0,0|0,1,0]=4 23725 B13R1.123 C=CCSc1cc(cc(c1O)C)N 62a_100000210623_100010064301 [0,3,0,0,0,0|0,1,0]=4 23726 B13R1.123 C=CCSc1cc(cc(c1O)C)N 62a_100010064301_100000210623 [0,3,0,0,0,0|0,1,0]=4 23727 B13R1.123 C=CCSc1cc(cc(c1O)Cl)Cl 62a_100000210623_200012339341 [0,3,0,0,0,0|0,1,0]=4 23728 B13R1.123 C=CCSc1cc(cc(c1O)Cl)Cl 62a_200012339341_100000210623 [0,3,0,0,0,0|0,1,0]=4 23729 B13R1.123 C=CCSc1cc(cc(c1O)F)Br 62a_100000210623_100013354677 [0,3,0,0,0,0|0,1,0]=4 23730 B13R1.123 C=CCSc1cc(cc(c1O)F)Br 62a_100013354677_100000210623 [0,3,0,0,0,0|0,1,0]=4 23731 B13R1.123 C=CCSc1cc(cc(c1O)F)C 62a_100000210623_200135191068 [0,3,0,0,0,0|0,1,0]=4 23732 B13R1.123 C=CCSc1cc(cc(c1O)F)C 62a_200135191068_100000210623 [0,3,0,0,0,0|0,1,0]=4 23733 B13R1.123 C=CCSc1cc(cc(c1O)F)F 62a_100000210623_100000688693 [0,3,0,0,0,0|0,1,0]=4 23734 B13R1.123 C=CCSc1cc(cc(c1O)F)F 62a_100000688693_100000210623 [0,3,0,0,0,0|0,1,0]=4 23735 B13R1.123 C=CCSc1cc(cc(c1O)N)Br 62a_100000210623_100016071998 [0,3,0,0,0,0|0,1,0]=4 23736 B13R1.123 C=CCSc1cc(cc(c1O)N)Br 62a_100016071998_100000210623 [0,3,0,0,0,0|0,1,0]=4 23737 B13R1.123 C=CCSc1cc(cc(c1O)N)F 62a_100000210623_200011217456 [0,3,0,0,0,0|0,1,0]=4 23738 B13R1.123 C=CCSc1cc(cc(c1O)N)F 62a_200011217456_100000210623 [0,3,0,0,0,0|0,1,0]=4 23739 B13R1.123 Cc1cc(c(c(c1)OCC=O)Br)C 34a_100010342985_200009817547 [0,3,0,0,0,0|1,0,0]=4 23740 B13R1.123 Cc1cc(c(c(c1)OCC=O)Br)C 7a_100010342985_200015260668 [0,3,0,0,0,0|1,0,0]=4 23741 B13R1.123 Cc1cc(c(c(c1)OCC=O)C)C 34a_100000230004_200009817547 [0,3,0,0,0,0|1,0,0]=4 23742 B13R1.123 Cc1cc(c(c(c1)OCC=O)C)C 7a_100000230004_200015260668 [0,3,0,0,0,0|1,0,0]=4 23743 B13R1.123 Cc1cc(c(c(c1)OCC=O)Cl)C 34a_100000094344_200009817547 [0,3,0,0,0,0|1,0,0]=4 23744 B13R1.123 Cc1cc(c(c(c1)OCC=O)Cl)C 7a_100000094344_200015260668 [0,3,0,0,0,0|1,0,0]=4 23745 B13R1.123 Cc1cc(c(c(c1)OCC=O)N)Cl 34a_100015906060_200009817547 [0,3,0,0,0,0|1,0,0]=4 23746 B13R1.123 Cc1cc(c(c(c1)OCC=O)N)Cl 7a_100015906060_200015260668 [0,3,0,0,0,0|1,0,0]=4 23747 B13R1.123 Cc1cc(cc(c1I)OCC=O)Cl 34a_100010254216_200009817547 [0,3,0,0,0,0|1,0,0]=4 23748 B13R1.123 Cc1cc(cc(c1I)OCC=O)Cl 7a_100010254216_200015260668 [0,3,0,0,0,0|1,0,0]=4 23749 B13R1.123 Cc1cc(cc(c1N)OCC=O)Br 34a_100010371313_200009817547 [0,3,0,0,0,0|1,0,0]=4 23750 B13R1.123 Cc1cc(cc(c1N)OCC=O)Br 7a_100010371313_200015260668 [0,3,0,0,0,0|1,0,0]=4 23751 B13R1.123 Nc1c(cc(cc1OCC=O)Br)F 34a_100015475841_200009817547 [0,3,0,0,0,0|1,0,0]=4 23752 B13R1.123 Nc1c(cc(cc1OCC=O)Br)F 7a_100015475841_200015260668 [0,3,0,0,0,0|1,0,0]=4 23753 B13R1.123 Nc1c(cc(cc1OCC=O)Cl)Br 34a_100015696055_200009817547 [0,3,0,0,0,0|1,0,0]=4 23754 B13R1.123 Nc1c(cc(cc1OCC=O)Cl)Br 7a_100015696055_200015260668 [0,3,0,0,0,0|1,0,0]=4 23755 B13R1.123 Nc1c(cc(cc1OCC=O)Cl)F 34a_100010883250_200009817547 [0,3,0,0,0,0|1,0,0]=4 23756 B13R1.123 Nc1c(cc(cc1OCC=O)Cl)F 7a_100010883250_200015260668 [0,3,0,0,0,0|1,0,0]=4 23757 B13R1.123 Nc1c(cc(cc1OCC=O)F)F 34a_100011217947_200009817547 [0,3,0,0,0,0|1,0,0]=4 23758 B13R1.123 Nc1c(cc(cc1OCC=O)F)F 7a_100011217947_200015260668 [0,3,0,0,0,0|1,0,0]=4 23759 B13R1.123 Nc1cc(c(c(c1)OCC=O)Cl)Cl 34a_100015839415_200009817547 [0,3,0,0,0,0|1,0,0]=4 23760 B13R1.123 Nc1cc(c(c(c1)OCC=O)Cl)Cl 7a_100015839415_200015260668 [0,3,0,0,0,0|1,0,0]=4 23761 B13R1.123 O=CCOc1cc(cc(c1Br)F)Cl 34a_100015539415_200009817547 [0,3,0,0,0,0|1,0,0]=4 23762 B13R1.123 O=CCOc1cc(cc(c1Br)F)Cl 7a_100015539415_200015260668 [0,3,0,0,0,0|1,0,0]=4 23763 B13R1.123 O=CCOc1cc(cc(c1Br)F)F 34a_100009815984_200009817547 [0,3,0,0,0,0|1,0,0]=4 23764 B13R1.123 O=CCOc1cc(cc(c1Br)F)F 7a_100009815984_200015260668 [0,3,0,0,0,0|1,0,0]=4 23765 B13R1.123 O=CCOc1cc(cc(c1Cl)F)Br 34a_100010981968_200009817547 [0,3,0,0,0,0|1,0,0]=4 23766 B13R1.123 O=CCOc1cc(cc(c1Cl)F)Br 7a_100010981968_200015260668 [0,3,0,0,0,0|1,0,0]=4 23767 B13R1.123 O=CCOc1cc(cc(c1Cl)F)F 34a_200000037661_200009817547 [0,3,0,0,0,0|1,0,0]=4 23768 B13R1.123 O=CCOc1cc(cc(c1Cl)F)F 7a_200000037661_200015260668 [0,3,0,0,0,0|1,0,0]=4 23769 B13R1.123 O=CCOc1cc(cc(c1F)Cl)Br 34a_100010077842_200009817547 [0,3,0,0,0,0|1,0,0]=4 23770 B13R1.123 O=CCOc1cc(cc(c1F)Cl)Br 7a_100010077842_200015260668 [0,3,0,0,0,0|1,0,0]=4 23771 B13R1.123 O=CCOc1cc(cc(c1F)F)Br 34a_100000709865_200009817547 [0,3,0,0,0,0|1,0,0]=4 23772 B13R1.123 O=CCOc1cc(cc(c1F)F)Br 7a_100000709865_200015260668 [0,3,0,0,0,0|1,0,0]=4 23773 B13R1.123 O=CCOc1cc(cc(c1F)F)F 34a_200011215507_200009817547 [0,3,0,0,0,0|1,0,0]=4 23774 B13R1.123 O=CCOc1cc(cc(c1F)F)F 7a_200011215507_200015260668 [0,3,0,0,0,0|1,0,0]=4 23775 B13R1.150 C=C(C)CNc1cccc(c1Br)C 34a_100000684715_100000748629 [0,3,0,0,0,0|1,0,0]=4 23776 B13R1.150 C=C(C)CNc1cccc(c1Br)Cl 34a_100000687072_100000748629 [0,3,0,0,0,0|1,0,0]=4 23777 B13R1.150 C=C(C)CNc1cccc(c1Br)F 34a_100011934729_100000748629 [0,3,0,0,0,0|1,0,0]=4 23778 B13R1.150 C=C(C)CNc1cccc(c1Br)O 34a_100012183704_100000748629 [0,3,0,0,0,0|1,0,0]=4 23779 B13R1.150 C=C(C)CNc1cccc(c1Br)O 7a_100012183704_100000748629 [0,3,0,0,0,0|1,0,0]=4 23780 B13R1.150 C=C(C)CNc1cccc(c1C)Br 34a_100000750434_100000748629 [0,3,0,0,0,0|1,0,0]=4 23781 B13R1.150 C=C(C)CNc1cccc(c1C)C 2230a_100000210026_100000748629 [0,3,0,0,0,0|1,0,0]=4 23782 B13R1.150 C=C(C)CNc1cccc(c1C)C 34a_100000210026_100000748629 [0,3,0,0,0,0|1,0,0]=4 23783 B13R1.150 C=C(C)CNc1cccc(c1C)C 7a_100000210026_100000748629 [0,3,0,0,0,0|1,0,0]=4 23784 B13R1.150 C=C(C)CNc1cccc(c1C)Cl 2230a_100000210441_100000748629 [0,3,0,0,0,0|1,0,0]=4 23785 B13R1.150 C=C(C)CNc1cccc(c1C)Cl 34a_100000210441_100000748629 [0,3,0,0,0,0|1,0,0]=4 23786 B13R1.150 C=C(C)CNc1cccc(c1C)Cl 7a_100000210441_100000748629 [0,3,0,0,0,0|1,0,0]=4 23787 B13R1.150 C=C(C)CNc1cccc(c1C)F 34a_100000745574_100000748629 [0,3,0,0,0,0|1,0,0]=4 23788 B13R1.150 C=C(C)CNc1cccc(c1C)F 7a_100000745574_100000748629 [0,3,0,0,0,0|1,0,0]=4 23789 B13R1.150 C=C(C)CNc1cccc(c1C)I 34a_100000761887_100000748629 [0,3,0,0,0,0|1,0,0]=4 23790 B13R1.150 C=C(C)CNc1cccc(c1C)O 34a_100011216573_100000748629 [0,3,0,0,0,0|1,0,0]=4 23791 B13R1.150 C=C(C)CNc1cccc(c1C)O 7a_100011216573_100000748629 [0,3,0,0,0,0|1,0,0]=4 23792 B13R1.150 C=C(C)CNc1cccc(c1Cl)Br 34a_100000687075_100000748629 [0,3,0,0,0,0|1,0,0]=4 23793 B13R1.150 C=C(C)CNc1cccc(c1Cl)C 34a_100000765562_100000748629 [0,3,0,0,0,0|1,0,0]=4 23794 B13R1.150 C=C(C)CNc1cccc(c1Cl)C 7a_100000765562_100000748629 [0,3,0,0,0,0|1,0,0]=4 23795 B13R1.150 C=C(C)CNc1cccc(c1Cl)Cl 34a_100000185733_100000748629 [0,3,0,0,0,0|1,0,0]=4 23796 B13R1.150 C=C(C)CNc1cccc(c1Cl)F 34a_100000692321_100000748629 [0,3,0,0,0,0|1,0,0]=4 23797 B13R1.150 C=C(C)CNc1cccc(c1Cl)O 34a_100012002038_100000748629 [0,3,0,0,0,0|1,0,0]=4 23798 B13R1.150 C=C(C)CNc1cccc(c1Cl)O 7a_100012002038_100000748629 [0,3,0,0,0,0|1,0,0]=4 23799 B13R1.150 C=C(C)CNc1cccc(c1F)Br 2230a_100011935091_100000748629 [0,3,0,0,0,0|1,0,0]=4 23800 B13R1.150 C=C(C)CNc1cccc(c1F)Br 34a_100011935091_100000748629 [0,3,0,0,0,0|1,0,0]=4 23801 B13R1.150 C=C(C)CNc1cccc(c1F)C 2230a_100000697159_100000748629 [0,3,0,0,0,0|1,0,0]=4 23802 B13R1.150 C=C(C)CNc1cccc(c1F)C 34a_100000697159_100000748629 [0,3,0,0,0,0|1,0,0]=4 23803 B13R1.150 C=C(C)CNc1cccc(c1F)C 7a_100000697159_100000748629 [0,3,0,0,0,0|1,0,0]=4 23804 B13R1.150 C=C(C)CNc1cccc(c1F)Cl 2230a_100000199060_100000748629 [0,3,0,0,0,0|1,0,0]=4 23805 B13R1.150 C=C(C)CNc1cccc(c1F)Cl 34a_100000199060_100000748629 [0,3,0,0,0,0|1,0,0]=4 23806 B13R1.150 C=C(C)CNc1cccc(c1F)F 34a_100000743855_100000748629 [0,3,0,0,0,0|1,0,0]=4 23807 B13R1.150 C=C(C)CNc1cccc(c1I)Br 34a_100020590159_100000748629 [0,3,0,0,0,0|1,0,0]=4 23808 B13R1.150 C=C(C)CNc1cccc(c1I)C 34a_100000761888_100000748629 [0,3,0,0,0,0|1,0,0]=4 23809 B13R1.150 C=C(C)CNc1cccc(c1I)Cl 34a_100000049713_100000748629 [0,3,0,0,0,0|1,0,0]=4 23810 B13R1.150 C=C(C)CNc1cccc(c1I)F 34a_100000690935_100000748629 [0,3,0,0,0,0|1,0,0]=4 23811 B13R1.150 C=C(C)CNc1cccc(c1O)Br 34a_100011934915_100000748629 [0,3,0,0,0,0|1,0,0]=4 23812 B13R1.150 C=C(C)CNc1cccc(c1O)C 34a_100000756359_100000748629 [0,3,0,0,0,0|1,0,0]=4 23813 B13R1.150 C=C(C)CNc1cccc(c1O)Cl 34a_100000754742_100000748629 [0,3,0,0,0,0|1,0,0]=4 23814 B13R1.150 C=C(C)CNc1cccc(c1O)F 34a_100011934987_100000748629 [0,3,0,0,0,0|1,0,0]=4 23815 B13R1.150 C=C(C)COc1cccc(c1Br)Br 34a_100010187966_100000748629 [0,3,0,0,0,0|0,0,0]=3 23816 B13R1.150 C=C(C)COc1cccc(c1Br)Br 7a_100010187966_100000748629 [0,3,0,0,0,0|0,0,0]=3 23817 B13R1.150 C=C(C)COc1cccc(c1Br)C 34a_100000686692_100000748629 [0,3,0,0,0,0|0,0,0]=3 23818 B13R1.150 C=C(C)COc1cccc(c1Br)C 7a_100000686692_100000748629 [0,3,0,0,0,0|0,0,0]=3 23819 B13R1.150 C=C(C)COc1cccc(c1Br)Cl 34a_100012348804_100000748629 [0,3,0,0,0,0|0,0,0]=3 23820 B13R1.150 C=C(C)COc1cccc(c1Br)Cl 7a_100012348804_100000748629 [0,3,0,0,0,0|0,0,0]=3 23821 B13R1.150 C=C(C)COc1cccc(c1Br)F 34a_100009820682_100000748629 [0,3,0,0,0,0|0,0,0]=3 23822 B13R1.150 C=C(C)COc1cccc(c1Br)F 7a_100009820682_100000748629 [0,3,0,0,0,0|0,0,0]=3 23823 B13R1.150 C=C(C)COc1cccc(c1Br)I 34a_100010187914_100000748629 [0,3,0,0,0,0|0,0,0]=3 23824 B13R1.150 C=C(C)COc1cccc(c1Br)I 7a_100010187914_100000748629 [0,3,0,0,0,0|0,0,0]=3 23825 B13R1.150 C=C(C)COc1cccc(c1Br)N 34a_100012183704_100000748629 [0,3,0,0,0,0|0,0,0]=3 23826 B13R1.150 C=C(C)COc1cccc(c1Br)N 7a_100012183704_100000748629 [0,3,0,0,0,0|0,0,0]=3 23827 B13R1.150 C=C(C)COc1cccc(c1C)Br 34a_100012002258_100000748629 [0,3,0,0,0,0|0,0,0]=3 23828 B13R1.150 C=C(C)COc1cccc(c1C)Br 7a_100012002258_100000748629 [0,3,0,0,0,0|0,0,0]=3 23829 B13R1.150 C=C(C)COc1cccc(c1C)C 34a_100000185855_100000748629 [0,3,0,0,0,0|0,0,0]=3 23830 B13R1.150 C=C(C)COc1cccc(c1C)C 7a_100000185855_100000748629 [0,3,0,0,0,0|0,0,0]=3 23831 B13R1.150 C=C(C)COc1cccc(c1C)Cl 34a_100011265684_100000748629 [0,3,0,0,0,0|0,0,0]=3 23832 B13R1.150 C=C(C)COc1cccc(c1C)Cl 7a_100011265684_100000748629 [0,3,0,0,0,0|0,0,0]=3 23833 B13R1.150 C=C(C)COc1cccc(c1C)F 34a_100011217231_100000748629 [0,3,0,0,0,0|0,0,0]=3 23834 B13R1.150 C=C(C)COc1cccc(c1C)F 7a_100011217231_100000748629 [0,3,0,0,0,0|0,0,0]=3 23835 B13R1.150 C=C(C)COc1cccc(c1C)N 34a_100011216573_100000748629 [0,3,0,0,0,0|0,0,0]=3 23836 B13R1.150 C=C(C)COc1cccc(c1C)N 7a_100011216573_100000748629 [0,3,0,0,0,0|0,0,0]=3 23837 B13R1.150 C=C(C)COc1cccc(c1Cl)Br 34a_100010187913_100000748629 [0,3,0,0,0,0|0,0,0]=3 23838 B13R1.150 C=C(C)COc1cccc(c1Cl)Br 7a_100010187913_100000748629 [0,3,0,0,0,0|0,0,0]=3 23839 B13R1.150 C=C(C)COc1cccc(c1Cl)C 34a_100000695629_100000748629 [0,3,0,0,0,0|0,0,0]=3 23840 B13R1.150 C=C(C)COc1cccc(c1Cl)C 7a_100000695629_100000748629 [0,3,0,0,0,0|0,0,0]=3 23841 B13R1.150 C=C(C)COc1cccc(c1Cl)Cl 34a_100000211076_100000748629 [0,3,0,0,0,0|0,0,0]=3 23842 B13R1.150 C=C(C)COc1cccc(c1Cl)Cl 7a_100000211076_100000748629 [0,3,0,0,0,0|0,0,0]=3 23843 B13R1.150 C=C(C)COc1cccc(c1Cl)F 34a_100000087408_100000748629 [0,3,0,0,0,0|0,0,0]=3 23844 B13R1.150 C=C(C)COc1cccc(c1Cl)F 7a_100000087408_100000748629 [0,3,0,0,0,0|0,0,0]=3 23845 B13R1.150 C=C(C)COc1cccc(c1Cl)I 34a_100000049636_100000748629 [0,3,0,0,0,0|0,0,0]=3 23846 B13R1.150 C=C(C)COc1cccc(c1Cl)I 7a_100000049636_100000748629 [0,3,0,0,0,0|0,0,0]=3 23847 B13R1.150 C=C(C)COc1cccc(c1Cl)N 34a_100012002038_100000748629 [0,3,0,0,0,0|0,0,0]=3 23848 B13R1.150 C=C(C)COc1cccc(c1Cl)N 7a_100012002038_100000748629 [0,3,0,0,0,0|0,0,0]=3 23849 B13R1.150 C=C(C)COc1cccc(c1F)Br 34a_100009817021_100000748629 [0,3,0,0,0,0|0,0,0]=3 23850 B13R1.150 C=C(C)COc1cccc(c1F)Br 7a_100009817021_100000748629 [0,3,0,0,0,0|0,0,0]=3 23851 B13R1.150 C=C(C)COc1cccc(c1F)C 34a_100000751311_100000748629 [0,3,0,0,0,0|0,0,0]=3 23852 B13R1.150 C=C(C)COc1cccc(c1F)C 7a_100000751311_100000748629 [0,3,0,0,0,0|0,0,0]=3 23853 B13R1.150 C=C(C)COc1cccc(c1F)Cl 34a_100000687438_100000748629 [0,3,0,0,0,0|0,0,0]=3 23854 B13R1.150 C=C(C)COc1cccc(c1F)Cl 7a_100000687438_100000748629 [0,3,0,0,0,0|0,0,0]=3 23855 B13R1.150 C=C(C)COc1cccc(c1F)F 34a_100000751161_100000748629 [0,3,0,0,0,0|0,0,0]=3 23856 B13R1.150 C=C(C)COc1cccc(c1F)F 7a_100000751161_100000748629 [0,3,0,0,0,0|0,0,0]=3 23857 B13R1.150 C=C(C)COc1cccc(c1I)Br 34a_100010187912_100000748629 [0,3,0,0,0,0|0,0,0]=3 23858 B13R1.150 C=C(C)COc1cccc(c1I)Br 7a_100010187912_100000748629 [0,3,0,0,0,0|0,0,0]=3 23859 B13R1.150 C=C(C)COc1cccc(c1I)C 34a_100010083724_100000748629 [0,3,0,0,0,0|0,0,0]=3 23860 B13R1.150 C=C(C)COc1cccc(c1I)C 7a_100010083724_100000748629 [0,3,0,0,0,0|0,0,0]=3 23861 B13R1.150 C=C(C)COc1cccc(c1I)Cl 34a_100000050174_100000748629 [0,3,0,0,0,0|0,0,0]=3 23862 B13R1.150 C=C(C)COc1cccc(c1I)Cl 7a_100000050174_100000748629 [0,3,0,0,0,0|0,0,0]=3 23863 B13R1.150 C=C(C)COc1cccc(c1I)F 34a_100000690913_100000748629 [0,3,0,0,0,0|0,0,0]=3 23864 B13R1.150 C=C(C)COc1cccc(c1I)F 7a_100000690913_100000748629 [0,3,0,0,0,0|0,0,0]=3 23865 B13R1.150 C=C(C)COc1cccc(c1N)Br 34a_100011934926_100000748629 [0,3,0,0,0,0|0,0,0]=3 23866 B13R1.150 C=C(C)COc1cccc(c1N)Br 7a_100011934926_100000748629 [0,3,0,0,0,0|0,0,0]=3 23867 B13R1.150 C=C(C)COc1cccc(c1N)C 34a_100000743429_100000748629 [0,3,0,0,0,0|0,0,0]=3 23868 B13R1.150 C=C(C)COc1cccc(c1N)C 7a_100000743429_100000748629 [0,3,0,0,0,0|0,0,0]=3 23869 B13R1.150 C=C(C)COc1cccc(c1N)Cl 34a_100012022510_100000748629 [0,3,0,0,0,0|0,0,0]=3 23870 B13R1.150 C=C(C)COc1cccc(c1N)Cl 7a_100012022510_100000748629 [0,3,0,0,0,0|0,0,0]=3 23871 B13R1.150 C=C(C)COc1cccc(c1N)F 34a_100020591140_100000748629 [0,3,0,0,0,0|0,0,0]=3 23872 B13R1.150 C=C(C)COc1cccc(c1N)F 7a_100020591140_100000748629 [0,3,0,0,0,0|0,0,0]=3 23873 B13R1.150 C=C(C)COc1cccc(c1N)I 34a_200000049512_100000748629 [0,3,0,0,0,0|0,0,0]=3 23874 B13R1.150 C=C(C)COc1cccc(c1N)I 7a_200000049512_100000748629 [0,3,0,0,0,0|0,0,0]=3 23875 B13R1.150 C=C(C)COc1cccc(c1N)N 34a_100000033209_100000748629 [0,3,0,0,0,0|0,0,0]=3 23876 B13R1.150 C=C(C)COc1cccn(c1=O)C 34a_100000117616_100000748629 [0,3,0,0,0,0|1,0,0]=4 23877 B13R1.150 C=C(C)COc1cccn(c1=O)C 7a_100000117616_100000748629 [0,3,0,0,0,0|1,0,0]=4 23878 B13R1.150 C=C(C)COc1ccnc(c1Br)Cl 34a_100010136240_100000748629 [0,3,0,0,0,0|1,0,0]=4 23879 B13R1.150 C=C(C)COc1ccnc(c1Cl)Cl 34a_100009860235_100000748629 [0,3,0,0,0,0|1,0,0]=4 23880 B13R1.150 C=C(C)COc1ccnc(c1F)Br 34a_100009876375_100000748629 [0,3,0,0,0,0|1,0,0]=4 23881 B13R1.150 C=C(C)COc1ccnc(c1F)Cl 34a_100009856406_100000748629 [0,3,0,0,0,0|1,0,0]=4 23882 B13R1.150 C=C(C)COc1ccnc(c1N)Cl 34a_100000128729_100000748629 [0,3,0,0,0,0|1,0,0]=4 23883 B13R1.150 C=C(C)COc1nccc(c1Br)C 34a_100012000493_100000748629 [0,3,0,0,0,0|1,0,0]=4 23884 B13R1.150 C=C(C)COc1nccc(c1C)Br 34a_100009858498_100000748629 [0,3,0,0,0,0|1,0,0]=4 23885 B13R1.150 C=C(C)COc1nccc(c1Cl)N 34a_200000093555_100000748629 [0,3,0,0,0,0|1,0,0]=4 23886 B13R1.150 C=C(C)CSc1cccc(c1Br)Br 62a_100000748629_100010175083 [0,3,0,0,0,0|0,1,0]=4 23887 B13R1.150 C=C(C)CSc1cccc(c1Br)Br 62a_100010175083_100000211660 [0,3,0,0,0,0|0,1,0]=4 23888 B13R1.150 C=C(C)CSc1cccc(c1Br)C 62a_100000748629_100012362457 [0,3,0,0,0,0|0,1,0]=4 23889 B13R1.150 C=C(C)CSc1cccc(c1Br)C 62a_100012362457_100000211660 [0,3,0,0,0,0|0,1,0]=4 23890 B13R1.150 C=C(C)CSc1cccc(c1Br)Cl 62a_100000748629_100014021842 [0,3,0,0,0,0|0,1,0]=4 23891 B13R1.150 C=C(C)CSc1cccc(c1Br)Cl 62a_100014021842_100000211660 [0,3,0,0,0,0|0,1,0]=4 23892 B13R1.150 C=C(C)CSc1cccc(c1Br)F 62a_100000748629_100010202630 [0,3,0,0,0,0|0,1,0]=4 23893 B13R1.150 C=C(C)CSc1cccc(c1Br)F 62a_100010202630_100000211660 [0,3,0,0,0,0|0,1,0]=4 23894 B13R1.150 C=C(C)CSc1cccc(c1Br)O 62a_100000748629_100010187914 [0,3,0,0,0,0|0,1,0]=4 23895 B13R1.150 C=C(C)CSc1cccc(c1Br)O 62a_100010187914_100000211660 [0,3,0,0,0,0|0,1,0]=4 23896 B13R1.150 C=C(C)CSc1cccc(c1C)Br 62a_100000748629_100012353703 [0,3,0,0,0,0|0,1,0]=4 23897 B13R1.150 C=C(C)CSc1cccc(c1C)Br 62a_100012353703_100000211660 [0,3,0,0,0,0|0,1,0]=4 23898 B13R1.150 C=C(C)CSc1cccc(c1C)C 62a_100000748629_100011214922 [0,3,0,0,0,0|0,1,0]=4 23899 B13R1.150 C=C(C)CSc1cccc(c1C)C 62a_100011214922_100000211660 [0,3,0,0,0,0|0,1,0]=4 23900 B13R1.150 C=C(C)CSc1cccc(c1C)Cl 62a_100000726075_100000211660 [0,3,0,0,0,0|0,1,0]=4 23901 B13R1.150 C=C(C)CSc1cccc(c1C)Cl 62a_100000748629_100000726075 [0,3,0,0,0,0|0,1,0]=4 23902 B13R1.150 C=C(C)CSc1cccc(c1C)F 62a_100000748629_100011216893 [0,3,0,0,0,0|0,1,0]=4 23903 B13R1.150 C=C(C)CSc1cccc(c1C)F 62a_100011216893_100000211660 [0,3,0,0,0,0|0,1,0]=4 23904 B13R1.150 C=C(C)CSc1cccc(c1C)N 62a_100000748629_100000761887 [0,3,0,0,0,0|0,1,0]=4 23905 B13R1.150 C=C(C)CSc1cccc(c1C)N 62a_100000761887_100000211660 [0,3,0,0,0,0|0,1,0]=4 23906 B13R1.150 C=C(C)CSc1cccc(c1C)O 62a_100000748629_100012002258 [0,3,0,0,0,0|0,1,0]=4 23907 B13R1.150 C=C(C)CSc1cccc(c1C)O 62a_100012002258_100000211660 [0,3,0,0,0,0|0,1,0]=4 23908 B13R1.150 C=C(C)CSc1cccc(c1Cl)Br 62a_100000748629_100010142854 [0,3,0,0,0,0|0,1,0]=4 23909 B13R1.150 C=C(C)CSc1cccc(c1Cl)Br 62a_100010142854_100000211660 [0,3,0,0,0,0|0,1,0]=4 23910 B13R1.150 C=C(C)CSc1cccc(c1Cl)C 62a_100000748629_200012352035 [0,3,0,0,0,0|0,1,0]=4 23911 B13R1.150 C=C(C)CSc1cccc(c1Cl)C 62a_200012352035_100000211660 [0,3,0,0,0,0|0,1,0]=4 23912 B13R1.150 C=C(C)CSc1cccc(c1Cl)Cl 62a_100000748629_100011215384 [0,3,0,0,0,0|0,1,0]=4 23913 B13R1.150 C=C(C)CSc1cccc(c1Cl)Cl 62a_100011215384_100000211660 [0,3,0,0,0,0|0,1,0]=4 23914 B13R1.150 C=C(C)CSc1cccc(c1Cl)F 62a_100000748629_200010234923 [0,3,0,0,0,0|0,1,0]=4 23915 B13R1.150 C=C(C)CSc1cccc(c1Cl)F 62a_200010234923_100000211660 [0,3,0,0,0,0|0,1,0]=4 23916 B13R1.150 C=C(C)CSc1cccc(c1Cl)O 62a_100000748629_100000049636 [0,3,0,0,0,0|0,1,0]=4 23917 B13R1.150 C=C(C)CSc1cccc(c1F)Br 62a_100000702267_100000211660 [0,3,0,0,0,0|0,1,0]=4 23918 B13R1.150 C=C(C)CSc1cccc(c1F)Br 62a_100000748629_100000702267 [0,3,0,0,0,0|0,1,0]=4 23919 B13R1.150 C=C(C)CSc1cccc(c1F)C 62a_100000717567_100000211660 [0,3,0,0,0,0|0,1,0]=4 23920 B13R1.150 C=C(C)CSc1cccc(c1F)C 62a_100000748629_100000717567 [0,3,0,0,0,0|0,1,0]=4 23921 B13R1.150 C=C(C)CSc1cccc(c1F)Cl 62a_100000748629_100011217346 [0,3,0,0,0,0|0,1,0]=4 23922 B13R1.150 C=C(C)CSc1cccc(c1F)Cl 62a_100011217346_100000211660 [0,3,0,0,0,0|0,1,0]=4 23923 B13R1.150 C=C(C)CSc1cccc(c1F)F 62a_100000694657_100000211660 [0,3,0,0,0,0|0,1,0]=4 23924 B13R1.150 C=C(C)CSc1cccc(c1F)F 62a_100000748629_100000694657 [0,3,0,0,0,0|0,1,0]=4 23925 B13R1.150 C=C(C)CSc1cccc(c1F)N 62a_100000748629_100011935091 [0,3,0,0,0,0|0,1,0]=4 23926 B13R1.150 C=C(C)CSc1cccc(c1F)N 62a_100011935091_100000211660 [0,3,0,0,0,0|0,1,0]=4 23927 B13R1.150 C=C(C)CSc1cccc(c1F)O 62a_100000748629_100009817021 [0,3,0,0,0,0|0,1,0]=4 23928 B13R1.150 C=C(C)CSc1cccc(c1F)O 62a_100009817021_100000211660 [0,3,0,0,0,0|0,1,0]=4 23929 B13R1.150 C=C(C)CSc1cccc(c1N)Br 62a_100000748629_100010146558 [0,3,0,0,0,0|0,1,0]=4 23930 B13R1.150 C=C(C)CSc1cccc(c1N)Br 62a_100010146558_100000211660 [0,3,0,0,0,0|0,1,0]=4 23931 B13R1.150 C=C(C)CSc1cccc(c1N)C 62a_100000748629_100011834072 [0,3,0,0,0,0|0,1,0]=4 23932 B13R1.150 C=C(C)CSc1cccc(c1N)C 62a_100011834072_100000211660 [0,3,0,0,0,0|0,1,0]=4 23933 B13R1.150 C=C(C)CSc1cccc(c1N)Cl 62a_100000748629_100010190421 [0,3,0,0,0,0|0,1,0]=4 23934 B13R1.150 C=C(C)CSc1cccc(c1N)Cl 62a_100010190421_100000211660 [0,3,0,0,0,0|0,1,0]=4 23935 B13R1.150 C=C(C)CSc1cccc(c1N)F 62a_100000042321_100000211660 [0,3,0,0,0,0|0,1,0]=4 23936 B13R1.150 C=C(C)CSc1cccc(c1N)F 62a_100000748629_100000042321 [0,3,0,0,0,0|0,1,0]=4 23937 B13R1.150 C=C(C)CSc1cccc(c1N)N 62a_100015191791_100000211660 [0,3,0,0,0,0|0,1,0]=4 23938 B13R1.150 C=C(C)CSc1cccc(c1N)O 62a_100000748629_100011934926 [0,3,0,0,0,0|0,1,0]=4 23939 B13R1.150 C=C(C)CSc1cccc(c1O)Br 62a_100000748629_100010084509 [0,3,0,0,0,0|0,1,0]=4 23940 B13R1.150 C=C(C)CSc1cccc(c1O)Br 62a_100010084509_100000211660 [0,3,0,0,0,0|0,1,0]=4 23941 B13R1.150 C=C(C)CSc1cccc(c1O)C 62a_100000748629_100009817157 [0,3,0,0,0,0|0,1,0]=4 23942 B13R1.150 C=C(C)CSc1cccc(c1O)C 62a_100009817157_100000211660 [0,3,0,0,0,0|0,1,0]=4 23943 B13R1.150 C=C(C)CSc1cccc(c1O)Cl 62a_100000748629_100010202889 [0,3,0,0,0,0|0,1,0]=4 23944 B13R1.150 C=C(C)CSc1cccc(c1O)Cl 62a_100010202889_100000211660 [0,3,0,0,0,0|0,1,0]=4 23945 B13R1.150 C=C(C)CSc1cccc(c1O)F 62a_100000748629_100009813666 [0,3,0,0,0,0|0,1,0]=4 23946 B13R1.150 C=C(C)CSc1cccc(c1O)F 62a_100009813666_100000211660 [0,3,0,0,0,0|0,1,0]=4 23947 B13R1.150 C=C(C)CSc1cccc(c1O)N 62a_100000748629_100010084371 [0,3,0,0,0,0|0,1,0]=4 23948 B13R1.150 C=C(C)CSc1cccc(c1O)N 62a_100011934915_100000211660 [0,3,0,0,0,0|0,1,0]=4 23949 B13R1.150 C=C(C)CSc1cccc(c1O)O 62a_100000748629_100009815950 [0,3,0,0,0,0|0,1,0]=4 23950 B13R1.150 C=C(F)CNc1cccc(c1Br)C 34a_100000684715_100009893438 [0,3,0,0,0,0|1,0,0]=4 23951 B13R1.150 C=C(F)CNc1cccc(c1Br)Cl 34a_100000687072_100009893438 [0,3,0,0,0,0|1,0,0]=4 23952 B13R1.150 C=C(F)CNc1cccc(c1Br)F 34a_100011934729_100009893438 [0,3,0,0,0,0|1,0,0]=4 23953 B13R1.150 C=C(F)CNc1cccc(c1Br)O 34a_100012183704_100009893438 [0,3,0,0,0,0|1,0,0]=4 23954 B13R1.150 C=C(F)CNc1cccc(c1Br)O 7a_100012183704_100000042424 [0,3,0,0,0,0|1,0,0]=4 23955 B13R1.150 C=C(F)CNc1cccc(c1C)Br 34a_100000750434_100009893438 [0,3,0,0,0,0|1,0,0]=4 23956 B13R1.150 C=C(F)CNc1cccc(c1C)C 2230a_100000210026_100009893438 [0,3,0,0,0,0|1,0,0]=4 23957 B13R1.150 C=C(F)CNc1cccc(c1C)C 34a_100000210026_100009893438 [0,3,0,0,0,0|1,0,0]=4 23958 B13R1.150 C=C(F)CNc1cccc(c1C)C 7a_100000210026_100000042424 [0,3,0,0,0,0|1,0,0]=4 23959 B13R1.150 C=C(F)CNc1cccc(c1C)Cl 2230a_100000210441_100009893438 [0,3,0,0,0,0|1,0,0]=4 23960 B13R1.150 C=C(F)CNc1cccc(c1C)Cl 34a_100000210441_100009893438 [0,3,0,0,0,0|1,0,0]=4 23961 B13R1.150 C=C(F)CNc1cccc(c1C)Cl 7a_100000210441_100000042424 [0,3,0,0,0,0|1,0,0]=4 23962 B13R1.150 C=C(F)CNc1cccc(c1C)F 34a_100000745574_100009893438 [0,3,0,0,0,0|1,0,0]=4 23963 B13R1.150 C=C(F)CNc1cccc(c1C)F 7a_100000745574_100000042424 [0,3,0,0,0,0|1,0,0]=4 23964 B13R1.150 C=C(F)CNc1cccc(c1C)I 34a_100000761887_100009893438 [0,3,0,0,0,0|1,0,0]=4 23965 B13R1.150 C=C(F)CNc1cccc(c1C)O 34a_100011216573_100009893438 [0,3,0,0,0,0|1,0,0]=4 23966 B13R1.150 C=C(F)CNc1cccc(c1C)O 7a_100011216573_100000042424 [0,3,0,0,0,0|1,0,0]=4 23967 B13R1.150 C=C(F)CNc1cccc(c1Cl)Br 34a_100000687075_100009893438 [0,3,0,0,0,0|1,0,0]=4 23968 B13R1.150 C=C(F)CNc1cccc(c1Cl)C 34a_100000765562_100009893438 [0,3,0,0,0,0|1,0,0]=4 23969 B13R1.150 C=C(F)CNc1cccc(c1Cl)C 7a_100000765562_100000042424 [0,3,0,0,0,0|1,0,0]=4 23970 B13R1.150 C=C(F)CNc1cccc(c1Cl)Cl 34a_100000185733_100009893438 [0,3,0,0,0,0|1,0,0]=4 23971 B13R1.150 C=C(F)CNc1cccc(c1Cl)F 34a_100000692321_100009893438 [0,3,0,0,0,0|1,0,0]=4 23972 B13R1.150 C=C(F)CNc1cccc(c1Cl)O 34a_100012002038_100009893438 [0,3,0,0,0,0|1,0,0]=4 23973 B13R1.150 C=C(F)CNc1cccc(c1Cl)O 7a_100012002038_100000042424 [0,3,0,0,0,0|1,0,0]=4 23974 B13R1.150 C=C(F)CNc1cccc(c1F)Br 2230a_100011935091_100009893438 [0,3,0,0,0,0|1,0,0]=4 23975 B13R1.150 C=C(F)CNc1cccc(c1F)Br 34a_100011935091_100009893438 [0,3,0,0,0,0|1,0,0]=4 23976 B13R1.150 C=C(F)CNc1cccc(c1F)C 2230a_100000697159_100009893438 [0,3,0,0,0,0|1,0,0]=4 23977 B13R1.150 C=C(F)CNc1cccc(c1F)C 34a_100000697159_100009893438 [0,3,0,0,0,0|1,0,0]=4 23978 B13R1.150 C=C(F)CNc1cccc(c1F)C 7a_100000697159_100000042424 [0,3,0,0,0,0|1,0,0]=4 23979 B13R1.150 C=C(F)CNc1cccc(c1F)Cl 2230a_100000199060_100009893438 [0,3,0,0,0,0|1,0,0]=4 23980 B13R1.150 C=C(F)CNc1cccc(c1F)Cl 34a_100000199060_100009893438 [0,3,0,0,0,0|1,0,0]=4 23981 B13R1.150 C=C(F)CNc1cccc(c1F)F 34a_100000743855_100009893438 [0,3,0,0,0,0|1,0,0]=4 23982 B13R1.150 C=C(F)CNc1cccc(c1I)Br 34a_100020590159_100009893438 [0,3,0,0,0,0|1,0,0]=4 23983 B13R1.150 C=C(F)CNc1cccc(c1I)C 34a_100000761888_100009893438 [0,3,0,0,0,0|1,0,0]=4 23984 B13R1.150 C=C(F)CNc1cccc(c1I)Cl 34a_100000049713_100009893438 [0,3,0,0,0,0|1,0,0]=4 23985 B13R1.150 C=C(F)CNc1cccc(c1I)F 34a_100000690935_100009893438 [0,3,0,0,0,0|1,0,0]=4 23986 B13R1.150 C=C(F)CNc1cccc(c1O)Br 34a_100011934915_100009893438 [0,3,0,0,0,0|1,0,0]=4 23987 B13R1.150 C=C(F)CNc1cccc(c1O)C 34a_100000756359_100009893438 [0,3,0,0,0,0|1,0,0]=4 23988 B13R1.150 C=C(F)CNc1cccc(c1O)Cl 34a_100000754742_100009893438 [0,3,0,0,0,0|1,0,0]=4 23989 B13R1.150 C=C(F)CNc1cccc(c1O)F 34a_100011934987_100009893438 [0,3,0,0,0,0|1,0,0]=4 23990 B13R1.150 C=C(F)COc1cccc(c1Br)Br 34a_100010187966_100009893438 [0,3,0,0,0,0|0,0,0]=3 23991 B13R1.150 C=C(F)COc1cccc(c1Br)Br 7a_100010187966_100000042424 [0,3,0,0,0,0|0,0,0]=3 23992 B13R1.150 C=C(F)COc1cccc(c1Br)C 34a_100000686692_100009893438 [0,3,0,0,0,0|0,0,0]=3 23993 B13R1.150 C=C(F)COc1cccc(c1Br)C 7a_100000686692_100000042424 [0,3,0,0,0,0|0,0,0]=3 23994 B13R1.150 C=C(F)COc1cccc(c1Br)Cl 34a_100012348804_100009893438 [0,3,0,0,0,0|0,0,0]=3 23995 B13R1.150 C=C(F)COc1cccc(c1Br)Cl 7a_100012348804_100000042424 [0,3,0,0,0,0|0,0,0]=3 23996 B13R1.150 C=C(F)COc1cccc(c1Br)F 34a_100009820682_100009893438 [0,3,0,0,0,0|0,0,0]=3 23997 B13R1.150 C=C(F)COc1cccc(c1Br)F 7a_100009820682_100000042424 [0,3,0,0,0,0|0,0,0]=3 23998 B13R1.150 C=C(F)COc1cccc(c1Br)I 34a_100010187914_100009893438 [0,3,0,0,0,0|0,0,0]=3 23999 B13R1.150 C=C(F)COc1cccc(c1Br)I 7a_100010187914_100000042424 [0,3,0,0,0,0|0,0,0]=3 24000 B13R1.150 C=C(F)COc1cccc(c1Br)N 34a_100012183704_100009893438 [0,3,0,0,0,0|0,0,0]=3 24001 B13R1.150 C=C(F)COc1cccc(c1Br)N 7a_100012183704_100000042424 [0,3,0,0,0,0|0,0,0]=3 24002 B13R1.150 C=C(F)COc1cccc(c1C)Br 34a_100012002258_100009893438 [0,3,0,0,0,0|0,0,0]=3 24003 B13R1.150 C=C(F)COc1cccc(c1C)Br 7a_100012002258_100000042424 [0,3,0,0,0,0|0,0,0]=3 24004 B13R1.150 C=C(F)COc1cccc(c1C)C 34a_100000185855_100009893438 [0,3,0,0,0,0|0,0,0]=3 24005 B13R1.150 C=C(F)COc1cccc(c1C)C 7a_100000185855_100000042424 [0,3,0,0,0,0|0,0,0]=3 24006 B13R1.150 C=C(F)COc1cccc(c1C)Cl 34a_100011265684_100009893438 [0,3,0,0,0,0|0,0,0]=3 24007 B13R1.150 C=C(F)COc1cccc(c1C)Cl 7a_100011265684_100000042424 [0,3,0,0,0,0|0,0,0]=3 24008 B13R1.150 C=C(F)COc1cccc(c1C)F 34a_100011217231_100009893438 [0,3,0,0,0,0|0,0,0]=3 24009 B13R1.150 C=C(F)COc1cccc(c1C)F 7a_100011217231_100000042424 [0,3,0,0,0,0|0,0,0]=3 24010 B13R1.150 C=C(F)COc1cccc(c1C)N 34a_100011216573_100009893438 [0,3,0,0,0,0|0,0,0]=3 24011 B13R1.150 C=C(F)COc1cccc(c1C)N 7a_100011216573_100000042424 [0,3,0,0,0,0|0,0,0]=3 24012 B13R1.150 C=C(F)COc1cccc(c1Cl)Br 34a_100010187913_100009893438 [0,3,0,0,0,0|0,0,0]=3 24013 B13R1.150 C=C(F)COc1cccc(c1Cl)Br 7a_100010187913_100000042424 [0,3,0,0,0,0|0,0,0]=3 24014 B13R1.150 C=C(F)COc1cccc(c1Cl)C 34a_100000695629_100009893438 [0,3,0,0,0,0|0,0,0]=3 24015 B13R1.150 C=C(F)COc1cccc(c1Cl)C 7a_100000695629_100000042424 [0,3,0,0,0,0|0,0,0]=3 24016 B13R1.150 C=C(F)COc1cccc(c1Cl)Cl 34a_100000211076_100009893438 [0,3,0,0,0,0|0,0,0]=3 24017 B13R1.150 C=C(F)COc1cccc(c1Cl)Cl 7a_100000211076_100000042424 [0,3,0,0,0,0|0,0,0]=3 24018 B13R1.150 C=C(F)COc1cccc(c1Cl)F 34a_100000087408_100009893438 [0,3,0,0,0,0|0,0,0]=3 24019 B13R1.150 C=C(F)COc1cccc(c1Cl)F 7a_100000087408_100000042424 [0,3,0,0,0,0|0,0,0]=3 24020 B13R1.150 C=C(F)COc1cccc(c1Cl)I 34a_100000049636_100009893438 [0,3,0,0,0,0|0,0,0]=3 24021 B13R1.150 C=C(F)COc1cccc(c1Cl)I 7a_100000049636_100000042424 [0,3,0,0,0,0|0,0,0]=3 24022 B13R1.150 C=C(F)COc1cccc(c1Cl)N 34a_100012002038_100009893438 [0,3,0,0,0,0|0,0,0]=3 24023 B13R1.150 C=C(F)COc1cccc(c1Cl)N 7a_100012002038_100000042424 [0,3,0,0,0,0|0,0,0]=3 24024 B13R1.150 C=C(F)COc1cccc(c1F)Br 34a_100009817021_100009893438 [0,3,0,0,0,0|0,0,0]=3 24025 B13R1.150 C=C(F)COc1cccc(c1F)Br 7a_100009817021_100000042424 [0,3,0,0,0,0|0,0,0]=3 24026 B13R1.150 C=C(F)COc1cccc(c1F)C 34a_100000751311_100009893438 [0,3,0,0,0,0|0,0,0]=3 24027 B13R1.150 C=C(F)COc1cccc(c1F)C 7a_100000751311_100000042424 [0,3,0,0,0,0|0,0,0]=3 24028 B13R1.150 C=C(F)COc1cccc(c1F)Cl 34a_100000687438_100009893438 [0,3,0,0,0,0|0,0,0]=3 24029 B13R1.150 C=C(F)COc1cccc(c1F)Cl 7a_100000687438_100000042424 [0,3,0,0,0,0|0,0,0]=3 24030 B13R1.150 C=C(F)COc1cccc(c1F)F 34a_100000751161_100009893438 [0,3,0,0,0,0|0,0,0]=3 24031 B13R1.150 C=C(F)COc1cccc(c1F)F 7a_100000751161_100000042424 [0,3,0,0,0,0|0,0,0]=3 24032 B13R1.150 C=C(F)COc1cccc(c1I)Br 34a_100010187912_100009893438 [0,3,0,0,0,0|0,0,0]=3 24033 B13R1.150 C=C(F)COc1cccc(c1I)Br 7a_100010187912_100000042424 [0,3,0,0,0,0|0,0,0]=3 24034 B13R1.150 C=C(F)COc1cccc(c1I)C 34a_100010083724_100009893438 [0,3,0,0,0,0|0,0,0]=3 24035 B13R1.150 C=C(F)COc1cccc(c1I)C 7a_100010083724_100000042424 [0,3,0,0,0,0|0,0,0]=3 24036 B13R1.150 C=C(F)COc1cccc(c1I)Cl 34a_100000050174_100009893438 [0,3,0,0,0,0|0,0,0]=3 24037 B13R1.150 C=C(F)COc1cccc(c1I)Cl 7a_100000050174_100000042424 [0,3,0,0,0,0|0,0,0]=3 24038 B13R1.150 C=C(F)COc1cccc(c1I)F 34a_100000690913_100009893438 [0,3,0,0,0,0|0,0,0]=3 24039 B13R1.150 C=C(F)COc1cccc(c1I)F 7a_100000690913_100000042424 [0,3,0,0,0,0|0,0,0]=3 24040 B13R1.150 C=C(F)COc1cccc(c1N)Br 34a_100011934926_100009893438 [0,3,0,0,0,0|0,0,0]=3 24041 B13R1.150 C=C(F)COc1cccc(c1N)Br 7a_100011934926_100000042424 [0,3,0,0,0,0|0,0,0]=3 24042 B13R1.150 C=C(F)COc1cccc(c1N)C 34a_100000743429_100009893438 [0,3,0,0,0,0|0,0,0]=3 24043 B13R1.150 C=C(F)COc1cccc(c1N)C 7a_100000743429_100000042424 [0,3,0,0,0,0|0,0,0]=3 24044 B13R1.150 C=C(F)COc1cccc(c1N)Cl 34a_100012022510_100009893438 [0,3,0,0,0,0|0,0,0]=3 24045 B13R1.150 C=C(F)COc1cccc(c1N)Cl 7a_100012022510_100000042424 [0,3,0,0,0,0|0,0,0]=3 24046 B13R1.150 C=C(F)COc1cccc(c1N)F 34a_100020591140_100009893438 [0,3,0,0,0,0|0,0,0]=3 24047 B13R1.150 C=C(F)COc1cccc(c1N)F 7a_100020591140_100000042424 [0,3,0,0,0,0|0,0,0]=3 24048 B13R1.150 C=C(F)COc1cccc(c1N)I 34a_200000049512_100009893438 [0,3,0,0,0,0|0,0,0]=3 24049 B13R1.150 C=C(F)COc1cccc(c1N)I 7a_200000049512_100000042424 [0,3,0,0,0,0|0,0,0]=3 24050 B13R1.150 C=C(F)COc1cccc(c1N)N 34a_100000033209_100009893438 [0,3,0,0,0,0|0,0,0]=3 24051 B13R1.150 C=C(F)COc1cccn(c1=O)C 34a_100000117616_100009893438 [0,3,0,0,0,0|1,0,0]=4 24052 B13R1.150 C=C(F)COc1cccn(c1=O)C 7a_100000117616_100000042424 [0,3,0,0,0,0|1,0,0]=4 24053 B13R1.150 C=C(F)COc1ccnc(c1Br)Cl 34a_100010136240_100009893438 [0,3,0,0,0,0|1,0,0]=4 24054 B13R1.150 C=C(F)COc1ccnc(c1Cl)Cl 34a_100009860235_100009893438 [0,3,0,0,0,0|1,0,0]=4 24055 B13R1.150 C=C(F)COc1ccnc(c1F)Br 34a_100009876375_100009893438 [0,3,0,0,0,0|1,0,0]=4 24056 B13R1.150 C=C(F)COc1ccnc(c1F)Cl 34a_100009856406_100009893438 [0,3,0,0,0,0|1,0,0]=4 24057 B13R1.150 C=C(F)COc1ccnc(c1N)Cl 34a_100000128729_100009893438 [0,3,0,0,0,0|1,0,0]=4 24058 B13R1.150 C=C(F)COc1nccc(c1Br)C 34a_100012000493_100009893438 [0,3,0,0,0,0|1,0,0]=4 24059 B13R1.150 C=C(F)COc1nccc(c1C)Br 34a_100009858498_100009893438 [0,3,0,0,0,0|1,0,0]=4 24060 B13R1.150 C=C(F)COc1nccc(c1Cl)N 34a_200000093555_100009893438 [0,3,0,0,0,0|1,0,0]=4 24061 B13R1.150 C=C(F)CSc1cccc(c1Br)Br 62a_100000042424_100010175083 [0,3,0,0,0,0|0,1,0]=4 24062 B13R1.150 C=C(F)CSc1cccc(c1Br)Br 62a_100010175083_100000042424 [0,3,0,0,0,0|0,1,0]=4 24063 B13R1.150 C=C(F)CSc1cccc(c1Br)C 62a_100000042424_100012362457 [0,3,0,0,0,0|0,1,0]=4 24064 B13R1.150 C=C(F)CSc1cccc(c1Br)C 62a_100012362457_100000042424 [0,3,0,0,0,0|0,1,0]=4 24065 B13R1.150 C=C(F)CSc1cccc(c1Br)Cl 62a_100000042424_100014021842 [0,3,0,0,0,0|0,1,0]=4 24066 B13R1.150 C=C(F)CSc1cccc(c1Br)Cl 62a_100014021842_100000042424 [0,3,0,0,0,0|0,1,0]=4 24067 B13R1.150 C=C(F)CSc1cccc(c1Br)F 62a_100000042424_100010202630 [0,3,0,0,0,0|0,1,0]=4 24068 B13R1.150 C=C(F)CSc1cccc(c1Br)F 62a_100010202630_100000042424 [0,3,0,0,0,0|0,1,0]=4 24069 B13R1.150 C=C(F)CSc1cccc(c1Br)O 62a_100000042424_100010187914 [0,3,0,0,0,0|0,1,0]=4 24070 B13R1.150 C=C(F)CSc1cccc(c1Br)O 62a_100010187914_100000042424 [0,3,0,0,0,0|0,1,0]=4 24071 B13R1.150 C=C(F)CSc1cccc(c1C)Br 62a_100000042424_100012353703 [0,3,0,0,0,0|0,1,0]=4 24072 B13R1.150 C=C(F)CSc1cccc(c1C)Br 62a_100012353703_100000042424 [0,3,0,0,0,0|0,1,0]=4 24073 B13R1.150 C=C(F)CSc1cccc(c1C)C 62a_100000042424_100011214922 [0,3,0,0,0,0|0,1,0]=4 24074 B13R1.150 C=C(F)CSc1cccc(c1C)C 62a_100011214922_100000042424 [0,3,0,0,0,0|0,1,0]=4 24075 B13R1.150 C=C(F)CSc1cccc(c1C)Cl 62a_100000042424_100000726075 [0,3,0,0,0,0|0,1,0]=4 24076 B13R1.150 C=C(F)CSc1cccc(c1C)Cl 62a_100000726075_100000042424 [0,3,0,0,0,0|0,1,0]=4 24077 B13R1.150 C=C(F)CSc1cccc(c1C)F 62a_100000042424_100011216893 [0,3,0,0,0,0|0,1,0]=4 24078 B13R1.150 C=C(F)CSc1cccc(c1C)F 62a_100011216893_100000042424 [0,3,0,0,0,0|0,1,0]=4 24079 B13R1.150 C=C(F)CSc1cccc(c1C)N 62a_100000042424_100000761887 [0,3,0,0,0,0|0,1,0]=4 24080 B13R1.150 C=C(F)CSc1cccc(c1C)N 62a_100000761887_100000042424 [0,3,0,0,0,0|0,1,0]=4 24081 B13R1.150 C=C(F)CSc1cccc(c1C)O 62a_100000042424_100012002258 [0,3,0,0,0,0|0,1,0]=4 24082 B13R1.150 C=C(F)CSc1cccc(c1C)O 62a_100012002258_100000042424 [0,3,0,0,0,0|0,1,0]=4 24083 B13R1.150 C=C(F)CSc1cccc(c1Cl)Br 62a_100000042424_100010142854 [0,3,0,0,0,0|0,1,0]=4 24084 B13R1.150 C=C(F)CSc1cccc(c1Cl)Br 62a_100010142854_100000042424 [0,3,0,0,0,0|0,1,0]=4 24085 B13R1.150 C=C(F)CSc1cccc(c1Cl)C 62a_100000042424_200012352035 [0,3,0,0,0,0|0,1,0]=4 24086 B13R1.150 C=C(F)CSc1cccc(c1Cl)C 62a_200012352035_100000042424 [0,3,0,0,0,0|0,1,0]=4 24087 B13R1.150 C=C(F)CSc1cccc(c1Cl)Cl 62a_100000042424_100011215384 [0,3,0,0,0,0|0,1,0]=4 24088 B13R1.150 C=C(F)CSc1cccc(c1Cl)Cl 62a_100011215384_100000042424 [0,3,0,0,0,0|0,1,0]=4 24089 B13R1.150 C=C(F)CSc1cccc(c1Cl)F 62a_100000042424_200010234923 [0,3,0,0,0,0|0,1,0]=4 24090 B13R1.150 C=C(F)CSc1cccc(c1Cl)F 62a_200010234923_100000042424 [0,3,0,0,0,0|0,1,0]=4 24091 B13R1.150 C=C(F)CSc1cccc(c1Cl)O 62a_100000042424_100000049636 [0,3,0,0,0,0|0,1,0]=4 24092 B13R1.150 C=C(F)CSc1cccc(c1F)Br 62a_100000042424_100000702267 [0,3,0,0,0,0|0,1,0]=4 24093 B13R1.150 C=C(F)CSc1cccc(c1F)Br 62a_100000702267_100000042424 [0,3,0,0,0,0|0,1,0]=4 24094 B13R1.150 C=C(F)CSc1cccc(c1F)C 62a_100000042424_100000717567 [0,3,0,0,0,0|0,1,0]=4 24095 B13R1.150 C=C(F)CSc1cccc(c1F)C 62a_100000717567_100000042424 [0,3,0,0,0,0|0,1,0]=4 24096 B13R1.150 C=C(F)CSc1cccc(c1F)Cl 62a_100000042424_100011217346 [0,3,0,0,0,0|0,1,0]=4 24097 B13R1.150 C=C(F)CSc1cccc(c1F)Cl 62a_100011217346_100000042424 [0,3,0,0,0,0|0,1,0]=4 24098 B13R1.150 C=C(F)CSc1cccc(c1F)F 62a_100000042424_100000694657 [0,3,0,0,0,0|0,1,0]=4 24099 B13R1.150 C=C(F)CSc1cccc(c1F)F 62a_100000694657_100000042424 [0,3,0,0,0,0|0,1,0]=4 24100 B13R1.150 C=C(F)CSc1cccc(c1F)N 62a_100000042424_100011935091 [0,3,0,0,0,0|0,1,0]=4 24101 B13R1.150 C=C(F)CSc1cccc(c1F)N 62a_100011935091_100000042424 [0,3,0,0,0,0|0,1,0]=4 24102 B13R1.150 C=C(F)CSc1cccc(c1F)O 62a_100000042424_100009817021 [0,3,0,0,0,0|0,1,0]=4 24103 B13R1.150 C=C(F)CSc1cccc(c1F)O 62a_100009817021_100000042424 [0,3,0,0,0,0|0,1,0]=4 24104 B13R1.150 C=C(F)CSc1cccc(c1N)Br 62a_100000042424_100010146558 [0,3,0,0,0,0|0,1,0]=4 24105 B13R1.150 C=C(F)CSc1cccc(c1N)Br 62a_100010146558_100000042424 [0,3,0,0,0,0|0,1,0]=4 24106 B13R1.150 C=C(F)CSc1cccc(c1N)C 62a_100000042424_100011834072 [0,3,0,0,0,0|0,1,0]=4 24107 B13R1.150 C=C(F)CSc1cccc(c1N)C 62a_100011834072_100000042424 [0,3,0,0,0,0|0,1,0]=4 24108 B13R1.150 C=C(F)CSc1cccc(c1N)Cl 62a_100000042424_100010190421 [0,3,0,0,0,0|0,1,0]=4 24109 B13R1.150 C=C(F)CSc1cccc(c1N)Cl 62a_100010190421_100000042424 [0,3,0,0,0,0|0,1,0]=4 24110 B13R1.150 C=C(F)CSc1cccc(c1N)F 62a_100000042321_100000042424 [0,3,0,0,0,0|0,1,0]=4 24111 B13R1.150 C=C(F)CSc1cccc(c1N)F 62a_100000042424_100000042321 [0,3,0,0,0,0|0,1,0]=4 24112 B13R1.150 C=C(F)CSc1cccc(c1N)N 62a_100015191791_100000042424 [0,3,0,0,0,0|0,1,0]=4 24113 B13R1.150 C=C(F)CSc1cccc(c1N)O 62a_100000042424_100011934926 [0,3,0,0,0,0|0,1,0]=4 24114 B13R1.150 C=C(F)CSc1cccc(c1O)Br 62a_100000042424_100010084509 [0,3,0,0,0,0|0,1,0]=4 24115 B13R1.150 C=C(F)CSc1cccc(c1O)Br 62a_100010084509_100000042424 [0,3,0,0,0,0|0,1,0]=4 24116 B13R1.150 C=C(F)CSc1cccc(c1O)C 62a_100000042424_100009817157 [0,3,0,0,0,0|0,1,0]=4 24117 B13R1.150 C=C(F)CSc1cccc(c1O)C 62a_100009817157_100000042424 [0,3,0,0,0,0|0,1,0]=4 24118 B13R1.150 C=C(F)CSc1cccc(c1O)Cl 62a_100000042424_100010202889 [0,3,0,0,0,0|0,1,0]=4 24119 B13R1.150 C=C(F)CSc1cccc(c1O)Cl 62a_100010202889_100000042424 [0,3,0,0,0,0|0,1,0]=4 24120 B13R1.150 C=C(F)CSc1cccc(c1O)F 62a_100000042424_100009813666 [0,3,0,0,0,0|0,1,0]=4 24121 B13R1.150 C=C(F)CSc1cccc(c1O)F 62a_100009813666_100000042424 [0,3,0,0,0,0|0,1,0]=4 24122 B13R1.150 C=C(F)CSc1cccc(c1O)N 62a_100000042424_100010084371 [0,3,0,0,0,0|0,1,0]=4 24123 B13R1.150 C=C(F)CSc1cccc(c1O)N 62a_100011934915_100000042424 [0,3,0,0,0,0|0,1,0]=4 24124 B13R1.150 C=C(F)CSc1cccc(c1O)O 62a_100000042424_100009815950 [0,3,0,0,0,0|0,1,0]=4 24125 B13R1.150 CC(=O)COc1cccc(c1C)C 1458a_200000183798_200000210301 [0,3,0,0,0,0|0,0,1]=4 24126 B13R1.150 CC(=O)COc1cccc(c1Cl)Cl 1458a_100000191259_200000210301 [0,3,0,0,0,0|0,0,1]=4 24127 B13R1.150 Cc1c(cccc1OCC(=O)N)Br 34a_100012002258_100000187820 [0,3,0,0,0,0|1,0,0]=4 24128 B13R1.150 Cc1c(cccc1OCC(=O)N)Br 7a_100012002258_100000187820 [0,3,0,0,0,0|1,0,0]=4 24129 B13R1.150 Cc1c(cccc1OCC(=O)N)Cl 34a_100011265684_100000187820 [0,3,0,0,0,0|1,0,0]=4 24130 B13R1.150 Cc1c(cccc1OCC(=O)N)Cl 7a_100011265684_100000187820 [0,3,0,0,0,0|1,0,0]=4 24131 B13R1.150 Cc1c(cccc1OCC(=O)N)F 34a_100011217231_100000187820 [0,3,0,0,0,0|1,0,0]=4 24132 B13R1.150 Cc1c(cccc1OCC(=O)N)F 7a_100011217231_100000187820 [0,3,0,0,0,0|1,0,0]=4 24133 B13R1.150 Cc1c(cccc1OCC(=O)N)N 34a_100011216573_100000187820 [0,3,0,0,0,0|1,0,0]=4 24134 B13R1.150 Cc1c(cccc1OCC(=O)N)N 7a_100011216573_100000187820 [0,3,0,0,0,0|1,0,0]=4 24135 B13R1.150 Cc1c(cccc1OCC(=O)[O-])Br 34a_100012002258_100020667443 [0,3,0,0,0,0|1,0,0]=4 24136 B13R1.150 Cc1c(cccc1OCC(=O)[O-])Cl 34a_100011265684_100020667443 [0,3,0,0,0,0|1,0,0]=4 24137 B13R1.150 Cc1c(cccc1OCC(=O)[O-])F 34a_100011217231_100020667443 [0,3,0,0,0,0|1,0,0]=4 24138 B13R1.150 Cc1c(cccc1OCC(=O)[O-])N 34a_100011216573_100020667443 [0,3,0,0,0,0|1,0,0]=4 24139 B13R1.150 Cc1cccc(c1Br)OCC(=O)N 34a_100000686692_100000187820 [0,3,0,0,0,0|1,0,0]=4 24140 B13R1.150 Cc1cccc(c1Br)OCC(=O)N 7a_100000686692_100000187820 [0,3,0,0,0,0|1,0,0]=4 24141 B13R1.150 Cc1cccc(c1Br)OCC(=O)[O-] 34a_100000686692_100020667443 [0,3,0,0,0,0|1,0,0]=4 24142 B13R1.150 Cc1cccc(c1C)OCC(=O)N 34a_100000185855_100000187820 [0,3,0,0,0,0|1,0,0]=4 24143 B13R1.150 Cc1cccc(c1C)OCC(=O)N 7a_100000185855_100000187820 [0,3,0,0,0,0|1,0,0]=4 24144 B13R1.150 Cc1cccc(c1C)OCC(=O)[13CH3] 1458a_200000183798_200025704644 [0,3,0,0,0,0|0,0,1]=4 24145 B13R1.150 Cc1cccc(c1C)OCC(=O)[O-] 34a_100000185855_100020667443 [0,3,0,0,0,0|1,0,0]=4 24146 B13R1.150 Cc1cccc(c1Cl)OCC(=O)N 34a_100000695629_100000187820 [0,3,0,0,0,0|1,0,0]=4 24147 B13R1.150 Cc1cccc(c1Cl)OCC(=O)N 7a_100000695629_100000187820 [0,3,0,0,0,0|1,0,0]=4 24148 B13R1.150 Cc1cccc(c1Cl)OCC(=O)[O-] 34a_100000695629_100020667443 [0,3,0,0,0,0|1,0,0]=4 24149 B13R1.150 Cc1cccc(c1F)OCC(=O)N 34a_100000751311_100000187820 [0,3,0,0,0,0|1,0,0]=4 24150 B13R1.150 Cc1cccc(c1F)OCC(=O)N 7a_100000751311_100000187820 [0,3,0,0,0,0|1,0,0]=4 24151 B13R1.150 Cc1cccc(c1F)OCC(=O)[O-] 34a_100000751311_100020667443 [0,3,0,0,0,0|1,0,0]=4 24152 B13R1.150 Cc1cccc(c1I)OCC(=O)N 34a_100010083724_100000187820 [0,3,0,0,0,0|1,0,0]=4 24153 B13R1.150 Cc1cccc(c1I)OCC(=O)N 7a_100010083724_100000187820 [0,3,0,0,0,0|1,0,0]=4 24154 B13R1.150 Cc1cccc(c1I)OCC(=O)[O-] 34a_100010083724_100020667443 [0,3,0,0,0,0|1,0,0]=4 24155 B13R1.150 Cc1cccc(c1N)OCC(=O)N 34a_100000743429_100000187820 [0,3,0,0,0,0|1,0,0]=4 24156 B13R1.150 Cc1cccc(c1N)OCC(=O)N 7a_100000743429_100000187820 [0,3,0,0,0,0|1,0,0]=4 24157 B13R1.150 Cc1cccc(c1N)OCC(=O)[O-] 34a_100000743429_100020667443 [0,3,0,0,0,0|1,0,0]=4 24158 B13R1.150 NC(=O)COc1cccc(c1Br)Br 34a_100010187966_100000187820 [0,3,0,0,0,0|1,0,0]=4 24159 B13R1.150 NC(=O)COc1cccc(c1Br)Br 7a_100010187966_100000187820 [0,3,0,0,0,0|1,0,0]=4 24160 B13R1.150 NC(=O)COc1cccc(c1Br)Cl 34a_100012348804_100000187820 [0,3,0,0,0,0|1,0,0]=4 24161 B13R1.150 NC(=O)COc1cccc(c1Br)Cl 7a_100012348804_100000187820 [0,3,0,0,0,0|1,0,0]=4 24162 B13R1.150 NC(=O)COc1cccc(c1Br)F 34a_100009820682_100000187820 [0,3,0,0,0,0|1,0,0]=4 24163 B13R1.150 NC(=O)COc1cccc(c1Br)F 7a_100009820682_100000187820 [0,3,0,0,0,0|1,0,0]=4 24164 B13R1.150 NC(=O)COc1cccc(c1Br)I 34a_100010187914_100000187820 [0,3,0,0,0,0|1,0,0]=4 24165 B13R1.150 NC(=O)COc1cccc(c1Br)I 7a_100010187914_100000187820 [0,3,0,0,0,0|1,0,0]=4 24166 B13R1.150 NC(=O)COc1cccc(c1Br)N 34a_100012183704_100000187820 [0,3,0,0,0,0|1,0,0]=4 24167 B13R1.150 NC(=O)COc1cccc(c1Br)N 7a_100012183704_100000187820 [0,3,0,0,0,0|1,0,0]=4 24168 B13R1.150 NC(=O)COc1cccc(c1Cl)Br 34a_100010187913_100000187820 [0,3,0,0,0,0|1,0,0]=4 24169 B13R1.150 NC(=O)COc1cccc(c1Cl)Br 7a_100010187913_100000187820 [0,3,0,0,0,0|1,0,0]=4 24170 B13R1.150 NC(=O)COc1cccc(c1Cl)Cl 34a_100000211076_100000187820 [0,3,0,0,0,0|1,0,0]=4 24171 B13R1.150 NC(=O)COc1cccc(c1Cl)Cl 7a_100000211076_100000187820 [0,3,0,0,0,0|1,0,0]=4 24172 B13R1.150 NC(=O)COc1cccc(c1Cl)F 34a_100000087408_100000187820 [0,3,0,0,0,0|1,0,0]=4 24173 B13R1.150 NC(=O)COc1cccc(c1Cl)F 7a_100000087408_100000187820 [0,3,0,0,0,0|1,0,0]=4 24174 B13R1.150 NC(=O)COc1cccc(c1Cl)I 34a_100000049636_100000187820 [0,3,0,0,0,0|1,0,0]=4 24175 B13R1.150 NC(=O)COc1cccc(c1Cl)I 7a_100000049636_100000187820 [0,3,0,0,0,0|1,0,0]=4 24176 B13R1.150 NC(=O)COc1cccc(c1Cl)N 34a_100012002038_100000187820 [0,3,0,0,0,0|1,0,0]=4 24177 B13R1.150 NC(=O)COc1cccc(c1Cl)N 7a_100012002038_100000187820 [0,3,0,0,0,0|1,0,0]=4 24178 B13R1.150 NC(=O)COc1cccc(c1F)Br 34a_100009817021_100000187820 [0,3,0,0,0,0|1,0,0]=4 24179 B13R1.150 NC(=O)COc1cccc(c1F)Br 7a_100009817021_100000187820 [0,3,0,0,0,0|1,0,0]=4 24180 B13R1.150 NC(=O)COc1cccc(c1F)Cl 34a_100000687438_100000187820 [0,3,0,0,0,0|1,0,0]=4 24181 B13R1.150 NC(=O)COc1cccc(c1F)Cl 7a_100000687438_100000187820 [0,3,0,0,0,0|1,0,0]=4 24182 B13R1.150 NC(=O)COc1cccc(c1F)F 34a_100000751161_100000187820 [0,3,0,0,0,0|1,0,0]=4 24183 B13R1.150 NC(=O)COc1cccc(c1F)F 7a_100000751161_100000187820 [0,3,0,0,0,0|1,0,0]=4 24184 B13R1.150 NC(=O)COc1cccc(c1I)Br 34a_100010187912_100000187820 [0,3,0,0,0,0|1,0,0]=4 24185 B13R1.150 NC(=O)COc1cccc(c1I)Br 7a_100010187912_100000187820 [0,3,0,0,0,0|1,0,0]=4 24186 B13R1.150 NC(=O)COc1cccc(c1I)Cl 34a_100000050174_100000187820 [0,3,0,0,0,0|1,0,0]=4 24187 B13R1.150 NC(=O)COc1cccc(c1I)Cl 7a_100000050174_100000187820 [0,3,0,0,0,0|1,0,0]=4 24188 B13R1.150 NC(=O)COc1cccc(c1I)F 34a_100000690913_100000187820 [0,3,0,0,0,0|1,0,0]=4 24189 B13R1.150 NC(=O)COc1cccc(c1I)F 7a_100000690913_100000187820 [0,3,0,0,0,0|1,0,0]=4 24190 B13R1.150 NC(=O)COc1cccc(c1N)Br 34a_100011934926_100000187820 [0,3,0,0,0,0|1,0,0]=4 24191 B13R1.150 NC(=O)COc1cccc(c1N)Br 7a_100011934926_100000187820 [0,3,0,0,0,0|1,0,0]=4 24192 B13R1.150 NC(=O)COc1cccc(c1N)Cl 34a_100012022510_100000187820 [0,3,0,0,0,0|1,0,0]=4 24193 B13R1.150 NC(=O)COc1cccc(c1N)Cl 7a_100012022510_100000187820 [0,3,0,0,0,0|1,0,0]=4 24194 B13R1.150 NC(=O)COc1cccc(c1N)F 34a_100020591140_100000187820 [0,3,0,0,0,0|1,0,0]=4 24195 B13R1.150 NC(=O)COc1cccc(c1N)F 7a_100020591140_100000187820 [0,3,0,0,0,0|1,0,0]=4 24196 B13R1.150 NC(=O)COc1cccc(c1N)I 34a_200000049512_100000187820 [0,3,0,0,0,0|1,0,0]=4 24197 B13R1.150 NC(=O)COc1cccc(c1N)I 7a_200000049512_100000187820 [0,3,0,0,0,0|1,0,0]=4 24198 B13R1.150 NC(=O)COc1cccc(c1N)N 34a_100000033209_100000187820 [0,3,0,0,0,0|1,0,0]=4 24199 B13R1.150 Nc1c(cccc1OCC(=O)[O-])Br 34a_100011934926_100020667443 [0,3,0,0,0,0|1,0,0]=4 24200 B13R1.150 Nc1c(cccc1OCC(=O)[O-])Cl 34a_100012022510_100020667443 [0,3,0,0,0,0|1,0,0]=4 24201 B13R1.150 Nc1c(cccc1OCC(=O)[O-])F 34a_100020591140_100020667443 [0,3,0,0,0,0|1,0,0]=4 24202 B13R1.150 Nc1c(cccc1OCC(=O)[O-])I 34a_200000049512_100020667443 [0,3,0,0,0,0|1,0,0]=4 24203 B13R1.150 Nc1cccc(c1Br)OCC(=O)[O-] 34a_100012183704_100020667443 [0,3,0,0,0,0|1,0,0]=4 24204 B13R1.150 Nc1cccc(c1Cl)OCC(=O)[O-] 34a_100012002038_100020667443 [0,3,0,0,0,0|1,0,0]=4 24205 B13R1.150 Nc1cccc(c1N)OCC(=O)[O-] 34a_100000033209_100020667443 [0,3,0,0,0,0|1,0,0]=4 24206 B13R1.150 O=C([O-])COc1cccc(c1Br)Br 34a_100010187966_100020667443 [0,3,0,0,0,0|1,0,0]=4 24207 B13R1.150 O=C([O-])COc1cccc(c1Br)Cl 34a_100012348804_100020667443 [0,3,0,0,0,0|1,0,0]=4 24208 B13R1.150 O=C([O-])COc1cccc(c1Br)F 34a_100009820682_100020667443 [0,3,0,0,0,0|1,0,0]=4 24209 B13R1.150 O=C([O-])COc1cccc(c1Br)I 34a_100010187914_100020667443 [0,3,0,0,0,0|1,0,0]=4 24210 B13R1.150 O=C([O-])COc1cccc(c1Cl)Br 34a_100010187913_100020667443 [0,3,0,0,0,0|1,0,0]=4 24211 B13R1.150 O=C([O-])COc1cccc(c1Cl)Cl 34a_100000211076_100020667443 [0,3,0,0,0,0|1,0,0]=4 24212 B13R1.150 O=C([O-])COc1cccc(c1Cl)F 34a_100000087408_100020667443 [0,3,0,0,0,0|1,0,0]=4 24213 B13R1.150 O=C([O-])COc1cccc(c1Cl)I 34a_100000049636_100020667443 [0,3,0,0,0,0|1,0,0]=4 24214 B13R1.150 O=C([O-])COc1cccc(c1F)Br 34a_100009817021_100020667443 [0,3,0,0,0,0|1,0,0]=4 24215 B13R1.150 O=C([O-])COc1cccc(c1F)Cl 34a_100000687438_100020667443 [0,3,0,0,0,0|1,0,0]=4 24216 B13R1.150 O=C([O-])COc1cccc(c1F)F 34a_100000751161_100020667443 [0,3,0,0,0,0|1,0,0]=4 24217 B13R1.150 O=C([O-])COc1cccc(c1I)Br 34a_100010187912_100020667443 [0,3,0,0,0,0|1,0,0]=4 24218 B13R1.150 O=C([O-])COc1cccc(c1I)Cl 34a_100000050174_100020667443 [0,3,0,0,0,0|1,0,0]=4 24219 B13R1.150 O=C([O-])COc1cccc(c1I)F 34a_100000690913_100020667443 [0,3,0,0,0,0|1,0,0]=4 24220 B13R1.150 [13CH3]C(=O)COc1cccc(c1Cl)Cl 1458a_100000191259_200025704644 [0,3,0,0,0,0|0,0,1]=4 24221 B13R1.569 C=CCNc1cccc(c1Br)C#N 34a_100009877206_100015514636 [0,3,0,0,0,0|1,0,0]=4 24222 B13R1.569 C=CCNc1cccc(c1Br)OC 34a_100000703447_100015514636 [0,3,0,0,0,0|1,0,0]=4 24223 B13R1.569 C=CCNc1cccc(c1C)CO 2230a_102495339961_100000210623 [0,3,0,0,0,0|1,0,0]=4 24224 B13R1.569 C=CCNc1cccc(c1C)CO 34a_102495339961_100015514636 [0,3,0,0,0,0|1,0,0]=4 24225 B13R1.569 C=CCNc1cccc(c1C)OC 34a_100011244893_100015514636 [0,3,0,0,0,0|1,0,0]=4 24226 B13R1.569 C=CCNc1cccc(c1C)OC 7a_100011244893_100015514636 [0,3,0,0,0,0|1,0,0]=4 24227 B13R1.569 C=CCNc1cccc(c1Cl)C#N 34a_100012184300_100015514636 [0,3,0,0,0,0|1,0,0]=4 24228 B13R1.569 C=CCNc1cccc(c1Cl)OC 34a_100000089720_100015514636 [0,3,0,0,0,0|1,0,0]=4 24229 B13R1.569 C=CCNc1cccc(c1F)C#N 34a_100000087142_100015514636 [0,3,0,0,0,0|1,0,0]=4 24230 B13R1.569 C=CCNc1cccc(c1F)CO 34a_100012023829_100015514636 [0,3,0,0,0,0|1,0,0]=4 24231 B13R1.569 C=CCNc1cccc(c1F)OC 34a_100000100910_100015514636 [0,3,0,0,0,0|1,0,0]=4 24232 B13R1.569 C=CCNc1cccc(c1I)OC 34a_100010245509_100015514636 [0,3,0,0,0,0|1,0,0]=4 24233 B13R1.569 C=CCNc1cccc(c1O)OC 34a_100000123586_100015514636 [0,3,0,0,0,0|1,0,0]=4 24234 B13R1.569 C=CCOc1cccc(c1Br)C#N 34a_100009818990_100015514636 [0,3,0,0,0,0|0,0,0]=3 24235 B13R1.569 C=CCOc1cccc(c1Br)C#N 7a_100009818990_100015514636 [0,3,0,0,0,0|0,0,0]=3 24236 B13R1.569 C=CCOc1cccc(c1Br)OC 34a_100010202623_100015514636 [0,3,0,0,0,0|0,0,0]=3 24237 B13R1.569 C=CCOc1cccc(c1Br)OC 7a_100010202623_100015514636 [0,3,0,0,0,0|0,0,0]=3 24238 B13R1.569 C=CCOc1cccc(c1C)C#N 34a_100000079589_100015514636 [0,3,0,0,0,0|0,0,0]=3 24239 B13R1.569 C=CCOc1cccc(c1C)C#N 7a_100000079589_100015514636 [0,3,0,0,0,0|0,0,0]=3 24240 B13R1.569 C=CCOc1cccc(c1C)CO 34a_200000084602_100015514636 [0,3,0,0,0,0|0,0,0]=3 24241 B13R1.569 C=CCOc1cccc(c1C)CO 7a_200000084602_100015514636 [0,3,0,0,0,0|0,0,0]=3 24242 B13R1.569 C=CCOc1cccc(c1Cl)C#N 34a_200009871651_100015514636 [0,3,0,0,0,0|0,0,0]=3 24243 B13R1.569 C=CCOc1cccc(c1Cl)C#N 7a_200009871651_100015514636 [0,3,0,0,0,0|0,0,0]=3 24244 B13R1.569 C=CCOc1cccc(c1Cl)OC 34a_100000087810_100015514636 [0,3,0,0,0,0|0,0,0]=3 24245 B13R1.569 C=CCOc1cccc(c1Cl)OC 7a_100000087810_100015514636 [0,3,0,0,0,0|0,0,0]=3 24246 B13R1.569 C=CCOc1cccc(c1F)C#N 34a_200000094591_100015514636 [0,3,0,0,0,0|0,0,0]=3 24247 B13R1.569 C=CCOc1cccc(c1F)C#N 7a_200000094591_100015514636 [0,3,0,0,0,0|0,0,0]=3 24248 B13R1.569 C=CCOc1cccc(c1F)CN 34a_100025773512_100015514636 [0,3,0,0,0,0|0,0,0]=3 24249 B13R1.569 C=CCOc1cccc(c1F)OC 34a_100000102366_100015514636 [0,3,0,0,0,0|0,0,0]=3 24250 B13R1.569 C=CCOc1cccc(c1F)OC 7a_100000102366_100015514636 [0,3,0,0,0,0|0,0,0]=3 24251 B13R1.569 C=CCOc1cccc(c1I)OC 34a_200010201982_100015514636 [0,3,0,0,0,0|0,0,0]=3 24252 B13R1.569 C=CCOc1cccc(c1I)OC 7a_200010201982_100015514636 [0,3,0,0,0,0|0,0,0]=3 24253 B13R1.569 C=CCOc1cccc(c1N)OC 34a_100012022766_100015514636 [0,3,0,0,0,0|0,0,0]=3 24254 B13R1.569 C=CCOc1cccc(c1N)OC 7a_100012022766_100015514636 [0,3,0,0,0,0|0,0,0]=3 24255 B13R1.569 C=CCSc1cccc(c1Br)CO 62a_100000210623_100010240205 [0,3,0,0,0,0|0,1,0]=4 24256 B13R1.569 C=CCSc1cccc(c1Br)CO 62a_100010240205_100000210623 [0,3,0,0,0,0|0,1,0]=4 24257 B13R1.569 C=CCSc1cccc(c1Br)OC 62a_100000210623_100010146559 [0,3,0,0,0,0|0,1,0]=4 24258 B13R1.569 C=CCSc1cccc(c1Br)OC 62a_100010146559_100000210623 [0,3,0,0,0,0|0,1,0]=4 24259 B13R1.569 C=CCSc1cccc(c1C)C#N 62a_100000210623_100000721996 [0,3,0,0,0,0|0,1,0]=4 24260 B13R1.569 C=CCSc1cccc(c1C)C=O 62a_100000210623_100012179384 [0,3,0,0,0,0|0,1,0]=4 24261 B13R1.569 C=CCSc1cccc(c1C)C=O 62a_100012179384_100000210623 [0,3,0,0,0,0|0,1,0]=4 24262 B13R1.569 C=CCSc1cccc(c1C)CN 62a_100000210623_100000724210 [0,3,0,0,0,0|0,1,0]=4 24263 B13R1.569 C=CCSc1cccc(c1C)CN 62a_100000724210_100000210623 [0,3,0,0,0,0|0,1,0]=4 24264 B13R1.569 C=CCSc1cccc(c1C)CO 62a_100000210623_100000694458 [0,3,0,0,0,0|0,1,0]=4 24265 B13R1.569 C=CCSc1cccc(c1C)CO 62a_100000694458_100000210623 [0,3,0,0,0,0|0,1,0]=4 24266 B13R1.569 C=CCSc1cccc(c1C)OC 62a_100000210623_100010002647 [0,3,0,0,0,0|0,1,0]=4 24267 B13R1.569 C=CCSc1cccc(c1C)OC 62a_100010002647_100000210623 [0,3,0,0,0,0|0,1,0]=4 24268 B13R1.569 C=CCSc1cccc(c1Cl)OC 62a_100000210623_100010147677 [0,3,0,0,0,0|0,1,0]=4 24269 B13R1.569 C=CCSc1cccc(c1Cl)OC 62a_100010147677_100000210623 [0,3,0,0,0,0|0,1,0]=4 24270 B13R1.569 C=CCSc1cccc(c1F)C#N 62a_100000210623_100000239898 [0,3,0,0,0,0|0,1,0]=4 24271 B13R1.569 C=CCSc1cccc(c1F)C=C 62a_100000210623_100010741937 [0,3,0,0,0,0|0,1,0]=4 24272 B13R1.569 C=CCSc1cccc(c1F)C=C 62a_100010741937_100000210623 [0,3,0,0,0,0|0,1,0]=4 24273 B13R1.569 C=CCSc1cccc(c1F)C=O 62a_100000210623_100000766533 [0,3,0,0,0,0|0,1,0]=4 24274 B13R1.569 C=CCSc1cccc(c1F)C=O 62a_100000766533_100000210623 [0,3,0,0,0,0|0,1,0]=4 24275 B13R1.569 C=CCSc1cccc(c1F)CN 62a_100000210623_100015189953 [0,3,0,0,0,0|0,1,0]=4 24276 B13R1.569 C=CCSc1cccc(c1F)CN 62a_100015189953_100000210623 [0,3,0,0,0,0|0,1,0]=4 24277 B13R1.569 C=CCSc1cccc(c1F)CO 62a_100000210623_100011935076 [0,3,0,0,0,0|0,1,0]=4 24278 B13R1.569 C=CCSc1cccc(c1F)CO 62a_100011935076_100000210623 [0,3,0,0,0,0|0,1,0]=4 24279 B13R1.569 C=CCSc1cccc(c1F)OC 62a_100000210623_100010185846 [0,3,0,0,0,0|0,1,0]=4 24280 B13R1.569 C=CCSc1cccc(c1F)OC 62a_100010185846_100000210623 [0,3,0,0,0,0|0,1,0]=4 24281 B13R1.569 C=CCSc1cccc(c1N)C#N 62a_100000210623_100011934406 [0,3,0,0,0,0|0,1,0]=4 24282 B13R1.569 C=CCSc1cccc(c1N)C=O 62a_100010144990_100000210623 [0,3,0,0,0,0|0,1,0]=4 24283 B13R1.569 C=CCSc1cccc(c1N)CO 62a_100000210623_100012349457 [0,3,0,0,0,0|0,1,0]=4 24284 B13R1.569 C=CCSc1cccc(c1N)CO 62a_100012349457_100000210623 [0,3,0,0,0,0|0,1,0]=4 24285 B13R1.569 C=CCSc1cccc(c1N)NC 62a_100000695761_100000210623 [0,3,0,0,0,0|0,1,0]=4 24286 B13R1.569 C=CCSc1cccc(c1N)OC 62a_100000708083_100000210623 [0,3,0,0,0,0|0,1,0]=4 24287 B13R1.569 C=CCSc1cccc(c1O)C#N 62a_100000210623_100009817103 [0,3,0,0,0,0|0,1,0]=4 24288 B13R1.569 C=CCSc1cccc(c1O)C=O 62a_100000210623_100010171435 [0,3,0,0,0,0|0,1,0]=4 24289 B13R1.569 C=CCSc1cccc(c1O)CC 62a_100000210623_200010001580 [0,3,0,0,0,0|0,1,0]=4 24290 B13R1.569 C=CCSc1cccc(c1O)CC 62a_200010001580_100000210623 [0,3,0,0,0,0|0,1,0]=4 24291 B13R1.569 C=CCSc1cccc(c1O)OC 62a_100000210623_100000686866 [0,3,0,0,0,0|0,1,0]=4 24292 B13R1.569 COc1cccc(c1Br)OCC=O 34a_100010202623_200009817547 [0,3,0,0,0,0|1,0,0]=4 24293 B13R1.569 COc1cccc(c1Br)OCC=O 7a_100010202623_200015260668 [0,3,0,0,0,0|1,0,0]=4 24294 B13R1.569 COc1cccc(c1Cl)OCC=O 34a_100000087810_200009817547 [0,3,0,0,0,0|1,0,0]=4 24295 B13R1.569 COc1cccc(c1Cl)OCC=O 7a_100000087810_200015260668 [0,3,0,0,0,0|1,0,0]=4 24296 B13R1.569 COc1cccc(c1F)OCC=O 34a_100000102366_200009817547 [0,3,0,0,0,0|1,0,0]=4 24297 B13R1.569 COc1cccc(c1F)OCC=O 7a_100000102366_200015260668 [0,3,0,0,0,0|1,0,0]=4 24298 B13R1.569 COc1cccc(c1I)OCC=O 34a_200010201982_200009817547 [0,3,0,0,0,0|1,0,0]=4 24299 B13R1.569 COc1cccc(c1I)OCC=O 7a_200010201982_200015260668 [0,3,0,0,0,0|1,0,0]=4 24300 B13R1.569 COc1cccc(c1N)OCC=O 34a_100012022766_200009817547 [0,3,0,0,0,0|1,0,0]=4 24301 B13R1.569 COc1cccc(c1N)OCC=O 7a_100012022766_200015260668 [0,3,0,0,0,0|1,0,0]=4 24302 B13R1.569 Cc1c(cccc1OCC=O)C#N 34a_100000079589_200009817547 [0,3,0,0,0,0|1,0,0]=4 24303 B13R1.569 Cc1c(cccc1OCC=O)C#N 7a_100000079589_200015260668 [0,3,0,0,0,0|1,0,0]=4 24304 B13R1.569 Cc1c(cccc1OCC=O)CO 34a_200000084602_200009817547 [0,3,0,0,0,0|1,0,0]=4 24305 B13R1.569 Cc1c(cccc1OCC=O)CO 7a_200000084602_200015260668 [0,3,0,0,0,0|1,0,0]=4 24306 B13R1.569 N#Cc1cccc(c1Br)OCC=O 34a_100009818990_200009817547 [0,3,0,0,0,0|1,0,0]=4 24307 B13R1.569 N#Cc1cccc(c1Br)OCC=O 7a_100009818990_200015260668 [0,3,0,0,0,0|1,0,0]=4 24308 B13R1.569 N#Cc1cccc(c1Cl)OCC=O 34a_200009871651_200009817547 [0,3,0,0,0,0|1,0,0]=4 24309 B13R1.569 N#Cc1cccc(c1Cl)OCC=O 7a_200009871651_200015260668 [0,3,0,0,0,0|1,0,0]=4 24310 B13R1.569 N#Cc1cccc(c1F)OCC=O 34a_200000094591_200009817547 [0,3,0,0,0,0|1,0,0]=4 24311 B13R1.569 N#Cc1cccc(c1F)OCC=O 7a_200000094591_200015260668 [0,3,0,0,0,0|1,0,0]=4 24312 B13R1.569 NCc1cccc(c1F)OCC=O 34a_100025773512_200009817547 [0,3,0,0,0,0|1,0,0]=4 24313 B13R1.3395 C=CCNc1c(ccc(c1Br)F)F 34a_100014094178_100015514636 [0,3,0,0,0,0|1,0,0]=4 24314 B13R1.3395 C=CCNc1c(ccc(c1C)Br)C 34a_200010074581_100015514636 [0,3,0,0,0,0|1,0,0]=4 24315 B13R1.3395 C=CCNc1c(ccc(c1C)Br)F 2230a_100010588651_100000210623 [0,3,0,0,0,0|1,0,0]=4 24316 B13R1.3395 C=CCNc1c(ccc(c1C)Br)F 34a_100010588651_100015514636 [0,3,0,0,0,0|1,0,0]=4 24317 B13R1.3395 C=CCNc1c(ccc(c1C)Br)O 34a_100013039247_100015514636 [0,3,0,0,0,0|1,0,0]=4 24318 B13R1.3395 C=CCNc1c(ccc(c1C)C)C 2230a_100000117417_100000210623 [0,3,0,0,0,0|1,0,0]=4 24319 B13R1.3395 C=CCNc1c(ccc(c1C)C)C 34a_100000117417_100015514636 [0,3,0,0,0,0|1,0,0]=4 24320 B13R1.3395 C=CCNc1c(ccc(c1C)C)C 7a_100000117417_100015514636 [0,3,0,0,0,0|1,0,0]=4 24321 B13R1.3395 C=CCNc1c(ccc(c1C)Cl)C 2230a_200020642106_100000210623 [0,3,0,0,0,0|1,0,0]=4 24322 B13R1.3395 C=CCNc1c(ccc(c1C)Cl)C 34a_200020642106_100015514636 [0,3,0,0,0,0|1,0,0]=4 24323 B13R1.3395 C=CCNc1c(ccc(c1C)Cl)Cl 34a_100009961198_100015514636 [0,3,0,0,0,0|1,0,0]=4 24324 B13R1.3395 C=CCNc1c(ccc(c1C)F)Br 34a_100011009917_100015514636 [0,3,0,0,0,0|1,0,0]=4 24325 B13R1.3395 C=CCNc1c(ccc(c1C)I)C 34a_200010115591_100015514636 [0,3,0,0,0,0|1,0,0]=4 24326 B13R1.3395 C=CCNc1c(ccc(c1Cl)C)Cl 34a_100000210993_100015514636 [0,3,0,0,0,0|1,0,0]=4 24327 B13R1.3395 C=CCNc1c(ccc(c1Cl)C)F 34a_106744479701_100015514636 [0,3,0,0,0,0|1,0,0]=4 24328 B13R1.3395 C=CCNc1c(ccc(c1Cl)Cl)Cl 34a_103437851083_100015514636 [0,3,0,0,0,0|1,0,0]=4 24329 B13R1.3395 C=CCNc1c(ccc(c1Cl)Cl)F 34a_100000061523_100015514636 [0,3,0,0,0,0|1,0,0]=4 24330 B13R1.3395 C=CCNc1c(ccc(c1Cl)F)F 34a_100000062006_100015514636 [0,3,0,0,0,0|1,0,0]=4 24331 B13R1.3395 C=CCNc1c(ccc(c1Cl)O)Cl 34a_100016988457_100015514636 [0,3,0,0,0,0|1,0,0]=4 24332 B13R1.3395 C=CCNc1c(ccc(c1Cl)O)Cl 7a_100016988457_100015514636 [0,3,0,0,0,0|1,0,0]=4 24333 B13R1.3395 C=CCNc1c(ccc(c1F)Br)Cl 34a_100010995236_100015514636 [0,3,0,0,0,0|1,0,0]=4 24334 B13R1.3395 C=CCNc1c(ccc(c1F)Br)F 2230a_100025793129_100000210623 [0,3,0,0,0,0|1,0,0]=4 24335 B13R1.3395 C=CCNc1c(ccc(c1F)Br)F 34a_100025793129_100015514636 [0,3,0,0,0,0|1,0,0]=4 24336 B13R1.3395 C=CCNc1c(ccc(c1F)C)Cl 34a_100000062009_100015514636 [0,3,0,0,0,0|1,0,0]=4 24337 B13R1.3395 C=CCNc1c(ccc(c1F)C)F 2230a_102495364760_100000210623 [0,3,0,0,0,0|1,0,0]=4 24338 B13R1.3395 C=CCNc1c(ccc(c1F)C)F 34a_102495364760_100015514636 [0,3,0,0,0,0|1,0,0]=4 24339 B13R1.3395 C=CCNc1c(ccc(c1F)Cl)Br 34a_100011010633_100015514636 [0,3,0,0,0,0|1,0,0]=4 24340 B13R1.3395 C=CCNc1c(ccc(c1F)Cl)Cl 34a_200000061452_100015514636 [0,3,0,0,0,0|1,0,0]=4 24341 B13R1.3395 C=CCNc1c(ccc(c1F)Cl)F 34a_102495364764_100015514636 [0,3,0,0,0,0|1,0,0]=4 24342 B13R1.3395 C=CCNc1c(ccc(c1F)F)Br 34a_100010008850_100015514636 [0,3,0,0,0,0|1,0,0]=4 24343 B13R1.3395 C=CCNc1c(ccc(c1F)F)Cl 34a_200010381624_100015514636 [0,3,0,0,0,0|1,0,0]=4 24344 B13R1.3395 C=CCNc1c(ccc(c1F)F)F 34a_100000037384_100015514636 [0,3,0,0,0,0|1,0,0]=4 24345 B13R1.3395 C=CCNc1c(ccc(c1F)F)I 34a_100015763296_100015514636 [0,3,0,0,0,0|1,0,0]=4 24346 B13R1.3395 C=CCOc1c(ccc(c1Br)C)F 34a_200010223207_100015514636 [0,3,0,0,0,0|0,0,0]=3 24347 B13R1.3395 C=CCOc1c(ccc(c1Br)C)F 7a_200010223207_100015514636 [0,3,0,0,0,0|0,0,0]=3 24348 B13R1.3395 C=CCOc1c(ccc(c1Br)F)F 34a_100010170822_100015514636 [0,3,0,0,0,0|0,0,0]=3 24349 B13R1.3395 C=CCOc1c(ccc(c1Br)F)F 7a_100010170822_100015514636 [0,3,0,0,0,0|0,0,0]=3 24350 B13R1.3395 C=CCOc1c(ccc(c1Br)F)N 34a_100010128263_100015514636 [0,3,0,0,0,0|0,0,0]=3 24351 B13R1.3395 C=CCOc1c(ccc(c1Br)F)N 7a_100010128263_100015514636 [0,3,0,0,0,0|0,0,0]=3 24352 B13R1.3395 C=CCOc1c(ccc(c1C)C)C 34a_100000211305_100015514636 [0,3,0,0,0,0|0,0,0]=3 24353 B13R1.3395 C=CCOc1c(ccc(c1C)C)C 7a_100000211305_100015514636 [0,3,0,0,0,0|0,0,0]=3 24354 B13R1.3395 C=CCOc1c(ccc(c1C)Cl)Br 34a_200010391122_100015514636 [0,3,0,0,0,0|0,0,0]=3 24355 B13R1.3395 C=CCOc1c(ccc(c1C)Cl)Br 7a_200010391122_100015514636 [0,3,0,0,0,0|0,0,0]=3 24356 B13R1.3395 C=CCOc1c(ccc(c1C)F)Br 34a_200010391124_100015514636 [0,3,0,0,0,0|0,0,0]=3 24357 B13R1.3395 C=CCOc1c(ccc(c1C)F)Br 7a_200010391124_100015514636 [0,3,0,0,0,0|0,0,0]=3 24358 B13R1.3395 C=CCOc1c(ccc(c1Cl)Br)Cl 34a_100010089855_100015514636 [0,3,0,0,0,0|0,0,0]=3 24359 B13R1.3395 C=CCOc1c(ccc(c1Cl)Br)Cl 7a_100010089855_100015514636 [0,3,0,0,0,0|0,0,0]=3 24360 B13R1.3395 C=CCOc1c(ccc(c1Cl)C)Cl 34a_200000087117_100015514636 [0,3,0,0,0,0|0,0,0]=3 24361 B13R1.3395 C=CCOc1c(ccc(c1Cl)C)Cl 7a_200000087117_100015514636 [0,3,0,0,0,0|0,0,0]=3 24362 B13R1.3395 C=CCOc1c(ccc(c1Cl)C)F 34a_100000035349_100015514636 [0,3,0,0,0,0|0,0,0]=3 24363 B13R1.3395 C=CCOc1c(ccc(c1Cl)C)F 7a_100000035349_100015514636 [0,3,0,0,0,0|0,0,0]=3 24364 B13R1.3395 C=CCOc1c(ccc(c1Cl)Cl)Cl 34a_100000042553_100015514636 [0,3,0,0,0,0|0,0,0]=3 24365 B13R1.3395 C=CCOc1c(ccc(c1Cl)Cl)Cl 7a_100000042553_100015514636 [0,3,0,0,0,0|0,0,0]=3 24366 B13R1.3395 C=CCOc1c(ccc(c1Cl)Cl)F 34a_100000062035_100015514636 [0,3,0,0,0,0|0,0,0]=3 24367 B13R1.3395 C=CCOc1c(ccc(c1Cl)Cl)F 7a_100000062035_100015514636 [0,3,0,0,0,0|0,0,0]=3 24368 B13R1.3395 C=CCOc1c(ccc(c1Cl)F)Br 34a_100014979575_100015514636 [0,3,0,0,0,0|0,0,0]=3 24369 B13R1.3395 C=CCOc1c(ccc(c1Cl)F)Br 7a_100014979575_100015514636 [0,3,0,0,0,0|0,0,0]=3 24370 B13R1.3395 C=CCOc1c(ccc(c1Cl)F)F 34a_100000038336_100015514636 [0,3,0,0,0,0|0,0,0]=3 24371 B13R1.3395 C=CCOc1c(ccc(c1Cl)F)F 7a_100000038336_100015514636 [0,3,0,0,0,0|0,0,0]=3 24372 B13R1.3395 C=CCOc1c(ccc(c1Cl)N)C 34a_100000036876_100015514636 [0,3,0,0,0,0|0,0,0]=3 24373 B13R1.3395 C=CCOc1c(ccc(c1Cl)N)C 7a_100000036876_100015514636 [0,3,0,0,0,0|0,0,0]=3 24374 B13R1.3395 C=CCOc1c(ccc(c1F)Br)Cl 34a_100010240321_100015514636 [0,3,0,0,0,0|0,0,0]=3 24375 B13R1.3395 C=CCOc1c(ccc(c1F)Br)Cl 7a_100010240321_100015514636 [0,3,0,0,0,0|0,0,0]=3 24376 B13R1.3395 C=CCOc1c(ccc(c1F)Br)F 34a_100010167067_100015514636 [0,3,0,0,0,0|0,0,0]=3 24377 B13R1.3395 C=CCOc1c(ccc(c1F)Br)F 7a_100010167067_100015514636 [0,3,0,0,0,0|0,0,0]=3 24378 B13R1.3395 C=CCOc1c(ccc(c1F)C)Br 34a_100000722096_100015514636 [0,3,0,0,0,0|0,0,0]=3 24379 B13R1.3395 C=CCOc1c(ccc(c1F)C)Br 7a_100000722096_100015514636 [0,3,0,0,0,0|0,0,0]=3 24380 B13R1.3395 C=CCOc1c(ccc(c1F)C)Cl 34a_200000034537_100015514636 [0,3,0,0,0,0|0,0,0]=3 24381 B13R1.3395 C=CCOc1c(ccc(c1F)C)Cl 7a_200000034537_100015514636 [0,3,0,0,0,0|0,0,0]=3 24382 B13R1.3395 C=CCOc1c(ccc(c1F)C)F 34a_100011216644_100015514636 [0,3,0,0,0,0|0,0,0]=3 24383 B13R1.3395 C=CCOc1c(ccc(c1F)C)F 7a_100011216644_100015514636 [0,3,0,0,0,0|0,0,0]=3 24384 B13R1.3395 C=CCOc1c(ccc(c1F)Cl)Br 34a_100010081130_100015514636 [0,3,0,0,0,0|0,0,0]=3 24385 B13R1.3395 C=CCOc1c(ccc(c1F)Cl)Br 7a_100010081130_100015514636 [0,3,0,0,0,0|0,0,0]=3 24386 B13R1.3395 C=CCOc1c(ccc(c1F)Cl)F 34a_100000034634_100015514636 [0,3,0,0,0,0|0,0,0]=3 24387 B13R1.3395 C=CCOc1c(ccc(c1F)Cl)F 7a_100000034634_100015514636 [0,3,0,0,0,0|0,0,0]=3 24388 B13R1.3395 C=CCOc1c(ccc(c1F)F)Br 34a_100010243909_100015514636 [0,3,0,0,0,0|0,0,0]=3 24389 B13R1.3395 C=CCOc1c(ccc(c1F)F)Br 7a_100010243909_100015514636 [0,3,0,0,0,0|0,0,0]=3 24390 B13R1.3395 C=CCOc1c(ccc(c1F)F)F 34a_100000031686_100015514636 [0,3,0,0,0,0|0,0,0]=3 24391 B13R1.3395 C=CCOc1c(ccc(c1F)F)F 7a_100000031686_100015514636 [0,3,0,0,0,0|0,0,0]=3 24392 B13R1.3395 C=CCOc1c(ccc(c1F)F)N 34a_100015205010_100015514636 [0,3,0,0,0,0|0,0,0]=3 24393 B13R1.3395 C=CCOc1c(ccc(c1F)F)N 7a_100015205010_100015514636 [0,3,0,0,0,0|0,0,0]=3 24394 B13R1.3395 C=CCOc1c(ccc(c1F)I)Br 34a_200010782288_100015514636 [0,3,0,0,0,0|0,0,0]=3 24395 B13R1.3395 C=CCOc1c(ccc(c1F)I)Br 7a_200010782288_100015514636 [0,3,0,0,0,0|0,0,0]=3 24396 B13R1.3395 C=CCOc1c(n(ccc1=O)C)C 34a_100000032683_100015514636 [0,3,0,0,0,0|1,0,0]=4 24397 B13R1.3395 C=CCOc1c(n(ccc1=O)C)C 7a_100000032683_100015514636 [0,3,0,0,0,0|1,0,0]=4 24398 B13R1.3395 C=CCSc1c(ccc(c1Br)F)F 62a_100000210623_100010167956 [0,3,0,0,0,0|0,1,0]=4 24399 B13R1.3395 C=CCSc1c(ccc(c1Br)F)F 62a_100010167956_100000210623 [0,3,0,0,0,0|0,1,0]=4 24400 B13R1.3395 C=CCSc1c(ccc(c1Br)F)N 62a_100000210623_100020765651 [0,3,0,0,0,0|0,1,0]=4 24401 B13R1.3395 C=CCSc1c(ccc(c1Br)F)N 62a_100020765651_100000210623 [0,3,0,0,0,0|0,1,0]=4 24402 B13R1.3395 C=CCSc1c(ccc(c1C)F)C 62a_100000210623_100011068659 [0,3,0,0,0,0|0,1,0]=4 24403 B13R1.3395 C=CCSc1c(ccc(c1C)F)C 62a_100011068659_100000210623 [0,3,0,0,0,0|0,1,0]=4 24404 B13R1.3395 C=CCSc1c(ccc(c1C)F)F 62a_100000210623_100010167959 [0,3,0,0,0,0|0,1,0]=4 24405 B13R1.3395 C=CCSc1c(ccc(c1C)F)F 62a_100010167959_100000210623 [0,3,0,0,0,0|0,1,0]=4 24406 B13R1.3395 C=CCSc1c(ccc(c1C)N)C 62a_100000210623_106354213274 [0,3,0,0,0,0|0,1,0]=4 24407 B13R1.3395 C=CCSc1c(ccc(c1C)N)C 62a_106354213274_100000210623 [0,3,0,0,0,0|0,1,0]=4 24408 B13R1.3395 C=CCSc1c(ccc(c1C)O)C 62a_100000210623_100010659238 [0,3,0,0,0,0|0,1,0]=4 24409 B13R1.3395 C=CCSc1c(ccc(c1C)O)C 62a_100010659238_100000210623 [0,3,0,0,0,0|0,1,0]=4 24410 B13R1.3395 C=CCSc1c(ccc(c1Cl)Br)N 62a_100000210623_200010779962 [0,3,0,0,0,0|0,1,0]=4 24411 B13R1.3395 C=CCSc1c(ccc(c1Cl)Br)N 62a_200010779962_100000210623 [0,3,0,0,0,0|0,1,0]=4 24412 B13R1.3395 C=CCSc1c(ccc(c1Cl)Cl)Cl 62a_100000210623_200010170825 [0,3,0,0,0,0|0,1,0]=4 24413 B13R1.3395 C=CCSc1c(ccc(c1Cl)Cl)Cl 62a_200010170825_100000210623 [0,3,0,0,0,0|0,1,0]=4 24414 B13R1.3395 C=CCSc1c(ccc(c1Cl)Cl)F 62a_100000210623_200015697950 [0,3,0,0,0,0|0,1,0]=4 24415 B13R1.3395 C=CCSc1c(ccc(c1Cl)Cl)F 62a_200015697950_100000210623 [0,3,0,0,0,0|0,1,0]=4 24416 B13R1.3395 C=CCSc1c(ccc(c1Cl)Cl)N 62a_100000210623_200011093878 [0,3,0,0,0,0|0,1,0]=4 24417 B13R1.3395 C=CCSc1c(ccc(c1Cl)Cl)N 62a_200011093878_100000210623 [0,3,0,0,0,0|0,1,0]=4 24418 B13R1.3395 C=CCSc1c(ccc(c1Cl)F)Br 62a_100000210623_200037249116 [0,3,0,0,0,0|0,1,0]=4 24419 B13R1.3395 C=CCSc1c(ccc(c1Cl)F)Br 62a_200037249116_100000210623 [0,3,0,0,0,0|0,1,0]=4 24420 B13R1.3395 C=CCSc1c(ccc(c1Cl)F)F 62a_100000210623_100010167948 [0,3,0,0,0,0|0,1,0]=4 24421 B13R1.3395 C=CCSc1c(ccc(c1Cl)F)F 62a_100010167948_100000210623 [0,3,0,0,0,0|0,1,0]=4 24422 B13R1.3395 C=CCSc1c(ccc(c1F)Br)Cl 62a_100000210623_100011092007 [0,3,0,0,0,0|0,1,0]=4 24423 B13R1.3395 C=CCSc1c(ccc(c1F)Br)Cl 62a_100011092007_100000210623 [0,3,0,0,0,0|0,1,0]=4 24424 B13R1.3395 C=CCSc1c(ccc(c1F)Br)F 62a_100000210623_100000722365 [0,3,0,0,0,0|0,1,0]=4 24425 B13R1.3395 C=CCSc1c(ccc(c1F)Br)F 62a_100000722365_100000210623 [0,3,0,0,0,0|0,1,0]=4 24426 B13R1.3395 C=CCSc1c(ccc(c1F)Cl)Br 62a_100000210623_100011084128 [0,3,0,0,0,0|0,1,0]=4 24427 B13R1.3395 C=CCSc1c(ccc(c1F)Cl)Br 62a_100011084128_100000210623 [0,3,0,0,0,0|0,1,0]=4 24428 B13R1.3395 C=CCSc1c(ccc(c1F)Cl)F 62a_100000210623_200010167938 [0,3,0,0,0,0|0,1,0]=4 24429 B13R1.3395 C=CCSc1c(ccc(c1F)Cl)F 62a_200010167938_100000210623 [0,3,0,0,0,0|0,1,0]=4 24430 B13R1.3395 C=CCSc1c(ccc(c1F)Cl)N 62a_100000210623_100010134325 [0,3,0,0,0,0|0,1,0]=4 24431 B13R1.3395 C=CCSc1c(ccc(c1F)Cl)N 62a_100010134325_100000210623 [0,3,0,0,0,0|0,1,0]=4 24432 B13R1.3395 C=CCSc1c(ccc(c1F)F)F 62a_100000210623_100009814005 [0,3,0,0,0,0|0,1,0]=4 24433 B13R1.3395 C=CCSc1c(ccc(c1F)F)F 62a_100009814005_100000210623 [0,3,0,0,0,0|0,1,0]=4 24434 B13R1.3395 C=CCSc1c(ccc(c1F)F)N 62a_100000210623_100010232473 [0,3,0,0,0,0|0,1,0]=4 24435 B13R1.3395 C=CCSc1c(ccc(c1F)F)N 62a_100010232473_100000210623 [0,3,0,0,0,0|0,1,0]=4 24436 B13R1.3395 C=CCSc1c(ccc(c1F)N)F 62a_100000210623_100010070858 [0,3,0,0,0,0|0,1,0]=4 24437 B13R1.3395 C=CCSc1c(ccc(c1F)N)F 62a_100010070858_100000210623 [0,3,0,0,0,0|0,1,0]=4 24438 B13R1.3395 C=CCSc1c(ccc(c1N)F)F 62a_100000210623_100014094178 [0,3,0,0,0,0|0,1,0]=4 24439 B13R1.3395 C=CCSc1c(ccc(c1N)F)F 62a_100014094178_100000210623 [0,3,0,0,0,0|0,1,0]=4 24440 B13R1.3395 C=CCSc1c(ccc(c1N)N)F 62a_100010128261_100000210623 [0,3,0,0,0,0|0,1,0]=4 24441 B13R1.3395 C=CCSc1c(ccc(c1O)F)C 62a_100000210623_200010223207 [0,3,0,0,0,0|0,1,0]=4 24442 B13R1.3395 C=CCSc1c(ccc(c1O)F)C 62a_200010223207_100000210623 [0,3,0,0,0,0|0,1,0]=4 24443 B13R1.3395 C=CCSc1c(ccc(c1O)F)F 62a_100000210623_100010170822 [0,3,0,0,0,0|0,1,0]=4 24444 B13R1.3395 C=CCSc1c(ccc(c1O)F)F 62a_100010170822_100000210623 [0,3,0,0,0,0|0,1,0]=4 24445 B13R1.3395 C=CCSc1c(ccc(c1O)N)F 62a_100000210623_100010128263 [0,3,0,0,0,0|0,1,0]=4 24446 B13R1.3395 C=CCSc1c(ccc(c1O)N)F 62a_100010128263_100000210623 [0,3,0,0,0,0|0,1,0]=4 24447 B13R1.3395 Cc1c(ccc(c1OCC=O)Br)Cl 34a_200010391122_200009817547 [0,3,0,0,0,0|1,0,0]=4 24448 B13R1.3395 Cc1c(ccc(c1OCC=O)Br)Cl 7a_200010391122_200015260668 [0,3,0,0,0,0|1,0,0]=4 24449 B13R1.3395 Cc1c(ccc(c1OCC=O)Br)F 34a_200010391124_200009817547 [0,3,0,0,0,0|1,0,0]=4 24450 B13R1.3395 Cc1c(ccc(c1OCC=O)Br)F 7a_200010391124_200015260668 [0,3,0,0,0,0|1,0,0]=4 24451 B13R1.3395 Cc1ccc(c(c1Br)OCC=O)F 34a_200010223207_200009817547 [0,3,0,0,0,0|1,0,0]=4 24452 B13R1.3395 Cc1ccc(c(c1Br)OCC=O)F 7a_200010223207_200015260668 [0,3,0,0,0,0|1,0,0]=4 24453 B13R1.3395 Cc1ccc(c(c1C)OCC=O)C 34a_100000211305_200009817547 [0,3,0,0,0,0|1,0,0]=4 24454 B13R1.3395 Cc1ccc(c(c1C)OCC=O)C 7a_100000211305_200015260668 [0,3,0,0,0,0|1,0,0]=4 24455 B13R1.3395 Cc1ccc(c(c1Cl)OCC=O)Cl 34a_200000087117_200009817547 [0,3,0,0,0,0|1,0,0]=4 24456 B13R1.3395 Cc1ccc(c(c1Cl)OCC=O)Cl 7a_200000087117_200015260668 [0,3,0,0,0,0|1,0,0]=4 24457 B13R1.3395 Cc1ccc(c(c1Cl)OCC=O)F 34a_100000035349_200009817547 [0,3,0,0,0,0|1,0,0]=4 24458 B13R1.3395 Cc1ccc(c(c1Cl)OCC=O)F 7a_100000035349_200015260668 [0,3,0,0,0,0|1,0,0]=4 24459 B13R1.3395 Cc1ccc(c(c1F)OCC=O)Br 34a_100000722096_200009817547 [0,3,0,0,0,0|1,0,0]=4 24460 B13R1.3395 Cc1ccc(c(c1F)OCC=O)Br 7a_100000722096_200015260668 [0,3,0,0,0,0|1,0,0]=4 24461 B13R1.3395 Cc1ccc(c(c1F)OCC=O)Cl 34a_200000034537_200009817547 [0,3,0,0,0,0|1,0,0]=4 24462 B13R1.3395 Cc1ccc(c(c1F)OCC=O)Cl 7a_200000034537_200015260668 [0,3,0,0,0,0|1,0,0]=4 24463 B13R1.3395 Cc1ccc(c(c1F)OCC=O)F 34a_100011216644_200009817547 [0,3,0,0,0,0|1,0,0]=4 24464 B13R1.3395 Cc1ccc(c(c1F)OCC=O)F 7a_100011216644_200015260668 [0,3,0,0,0,0|1,0,0]=4 24465 B13R1.3395 Cc1ccc(c(c1OCC=O)Cl)N 34a_100000036876_200009817547 [0,3,0,0,0,0|1,0,0]=4 24466 B13R1.3395 Cc1ccc(c(c1OCC=O)Cl)N 7a_100000036876_200015260668 [0,3,0,0,0,0|1,0,0]=4 24467 B13R1.3395 Nc1ccc(c(c1OCC=O)Br)F 34a_100010128263_200009817547 [0,3,0,0,0,0|1,0,0]=4 24468 B13R1.3395 Nc1ccc(c(c1OCC=O)Br)F 7a_100010128263_200015260668 [0,3,0,0,0,0|1,0,0]=4 24469 B13R1.3395 Nc1ccc(c(c1OCC=O)F)F 34a_100015205010_200009817547 [0,3,0,0,0,0|1,0,0]=4 24470 B13R1.3395 Nc1ccc(c(c1OCC=O)F)F 7a_100015205010_200015260668 [0,3,0,0,0,0|1,0,0]=4 24471 B13R1.3395 O=CCOc1c(ccc(c1Br)F)F 34a_100010170822_200009817547 [0,3,0,0,0,0|1,0,0]=4 24472 B13R1.3395 O=CCOc1c(ccc(c1Br)F)F 7a_100010170822_200015260668 [0,3,0,0,0,0|1,0,0]=4 24473 B13R1.3395 O=CCOc1c(ccc(c1Cl)Br)Cl 34a_100010089855_200009817547 [0,3,0,0,0,0|1,0,0]=4 24474 B13R1.3395 O=CCOc1c(ccc(c1Cl)Br)Cl 7a_100010089855_200015260668 [0,3,0,0,0,0|1,0,0]=4 24475 B13R1.3395 O=CCOc1c(ccc(c1Cl)Cl)Cl 34a_100000042553_200009817547 [0,3,0,0,0,0|1,0,0]=4 24476 B13R1.3395 O=CCOc1c(ccc(c1Cl)Cl)Cl 7a_100000042553_200015260668 [0,3,0,0,0,0|1,0,0]=4 24477 B13R1.3395 O=CCOc1c(ccc(c1Cl)Cl)F 34a_100000062035_200009817547 [0,3,0,0,0,0|1,0,0]=4 24478 B13R1.3395 O=CCOc1c(ccc(c1Cl)Cl)F 7a_100000062035_200015260668 [0,3,0,0,0,0|1,0,0]=4 24479 B13R1.3395 O=CCOc1c(ccc(c1Cl)F)Br 34a_100014979575_200009817547 [0,3,0,0,0,0|1,0,0]=4 24480 B13R1.3395 O=CCOc1c(ccc(c1Cl)F)Br 7a_100014979575_200015260668 [0,3,0,0,0,0|1,0,0]=4 24481 B13R1.3395 O=CCOc1c(ccc(c1Cl)F)F 34a_100000038336_200009817547 [0,3,0,0,0,0|1,0,0]=4 24482 B13R1.3395 O=CCOc1c(ccc(c1Cl)F)F 7a_100000038336_200015260668 [0,3,0,0,0,0|1,0,0]=4 24483 B13R1.3395 O=CCOc1c(ccc(c1F)Br)Cl 34a_100010240321_200009817547 [0,3,0,0,0,0|1,0,0]=4 24484 B13R1.3395 O=CCOc1c(ccc(c1F)Br)Cl 7a_100010240321_200015260668 [0,3,0,0,0,0|1,0,0]=4 24485 B13R1.3395 O=CCOc1c(ccc(c1F)Br)F 34a_100010167067_200009817547 [0,3,0,0,0,0|1,0,0]=4 24486 B13R1.3395 O=CCOc1c(ccc(c1F)Br)F 7a_100010167067_200015260668 [0,3,0,0,0,0|1,0,0]=4 24487 B13R1.3395 O=CCOc1c(ccc(c1F)Cl)Br 34a_100010081130_200009817547 [0,3,0,0,0,0|1,0,0]=4 24488 B13R1.3395 O=CCOc1c(ccc(c1F)Cl)Br 7a_100010081130_200015260668 [0,3,0,0,0,0|1,0,0]=4 24489 B13R1.3395 O=CCOc1c(ccc(c1F)Cl)F 34a_100000034634_200009817547 [0,3,0,0,0,0|1,0,0]=4 24490 B13R1.3395 O=CCOc1c(ccc(c1F)Cl)F 7a_100000034634_200015260668 [0,3,0,0,0,0|1,0,0]=4 24491 B13R1.3395 O=CCOc1c(ccc(c1F)F)Br 34a_100010243909_200009817547 [0,3,0,0,0,0|1,0,0]=4 24492 B13R1.3395 O=CCOc1c(ccc(c1F)F)Br 7a_100010243909_200015260668 [0,3,0,0,0,0|1,0,0]=4 24493 B13R1.3395 O=CCOc1c(ccc(c1F)F)F 34a_100000031686_200009817547 [0,3,0,0,0,0|1,0,0]=4 24494 B13R1.3395 O=CCOc1c(ccc(c1F)F)F 7a_100000031686_200015260668 [0,3,0,0,0,0|1,0,0]=4 24495 B13R1.3395 O=CCOc1c(ccc(c1F)I)Br 34a_200010782288_200009817547 [0,3,0,0,0,0|1,0,0]=4 24496 B13R1.3395 O=CCOc1c(ccc(c1F)I)Br 7a_200010782288_200015260668 [0,3,0,0,0,0|1,0,0]=4 24497 B13R1.3516 C=CCNc1cccc(c1C#N)Br 27a_100020586998_100010071968 [0,3,0,0,0,0|1,0,0]=4 24498 B13R1.3516 C=CCNc1cccc(c1C#N)Br 7a_100011935054_100015514636 [0,3,0,0,0,0|1,0,0]=4 24499 B13R1.3516 C=CCNc1cccc(c1C#N)C 2230a_100000763283_100000210623 [0,3,0,0,0,0|1,0,0]=4 24500 B13R1.3516 C=CCNc1cccc(c1C#N)C 34a_100000763283_100015514636 [0,3,0,0,0,0|1,0,0]=4 24501 B13R1.3516 C=CCNc1cccc(c1C#N)C 7a_100000763283_100015514636 [0,3,0,0,0,0|1,0,0]=4 24502 B13R1.3516 C=CCNc1cccc(c1C#N)Cl 2230a_100000236969_100000210623 [0,3,0,0,0,0|1,0,0]=4 24503 B13R1.3516 C=CCNc1cccc(c1C#N)Cl 27a_100020586998_200000049503 [0,3,0,0,0,0|1,0,0]=4 24504 B13R1.3516 C=CCNc1cccc(c1C#N)Cl 7a_100000236969_100015514636 [0,3,0,0,0,0|1,0,0]=4 24505 B13R1.3516 C=CCNc1cccc(c1C#N)F 2230a_100000236971_100000210623 [0,3,0,0,0,0|1,0,0]=4 24506 B13R1.3516 C=CCNc1cccc(c1C#N)F 27a_100020586998_100000039607 [0,3,0,0,0,0|1,0,0]=4 24507 B13R1.3516 C=CCNc1cccc(c1C#N)F 34a_100000236971_100015514636 [0,3,0,0,0,0|1,0,0]=4 24508 B13R1.3516 C=CCNc1cccc(c1C#N)F 7a_100000236971_100015514636 [0,3,0,0,0,0|1,0,0]=4 24509 B13R1.3516 C=CCNc1cccc(c1CO)Br 34a_100000747656_100015514636 [0,3,0,0,0,0|1,0,0]=4 24510 B13R1.3516 C=CCNc1cccc(c1CO)Cl 34a_100011916388_100015514636 [0,3,0,0,0,0|1,0,0]=4 24511 B13R1.3516 C=CCNc1cccc(c1CO)F 34a_100011846719_100015514636 [0,3,0,0,0,0|1,0,0]=4 24512 B13R1.3516 C=CCNc1cccc(c1OC)Br 34a_100011935253_100015514636 [0,3,0,0,0,0|1,0,0]=4 24513 B13R1.3516 C=CCNc1cccc(c1OC)C 34a_100012017360_100015514636 [0,3,0,0,0,0|1,0,0]=4 24514 B13R1.3516 C=CCNc1cccc(c1OC)Cl 2230a_100000743799_100000210623 [0,3,0,0,0,0|1,0,0]=4 24515 B13R1.3516 C=CCNc1cccc(c1OC)Cl 34a_100000743799_100015514636 [0,3,0,0,0,0|1,0,0]=4 24516 B13R1.3516 C=CCNc1cccc(c1OC)F 34a_100011215007_100015514636 [0,3,0,0,0,0|1,0,0]=4 24517 B13R1.3516 C=CCOc1cccc(c1C#N)Br 34a_100012180507_100015514636 [0,3,0,0,0,0|0,0,0]=3 24518 B13R1.3516 C=CCOc1cccc(c1C#N)Br 7a_100012180507_100015514636 [0,3,0,0,0,0|0,0,0]=3 24519 B13R1.3516 C=CCOc1cccc(c1C#N)C 34a_100000079363_100015514636 [0,3,0,0,0,0|0,0,0]=3 24520 B13R1.3516 C=CCOc1cccc(c1C#N)C 7a_100000079363_100015514636 [0,3,0,0,0,0|0,0,0]=3 24521 B13R1.3516 C=CCOc1cccc(c1C#N)Cl 34a_100000764475_100015514636 [0,3,0,0,0,0|0,0,0]=3 24522 B13R1.3516 C=CCOc1cccc(c1C#N)Cl 7a_100000764475_100015514636 [0,3,0,0,0,0|0,0,0]=3 24523 B13R1.3516 C=CCOc1cccc(c1C#N)F 34a_100000741147_100015514636 [0,3,0,0,0,0|0,0,0]=3 24524 B13R1.3516 C=CCOc1cccc(c1C#N)F 7a_100000741147_100015514636 [0,3,0,0,0,0|0,0,0]=3 24525 B13R1.3516 C=CCOc1cccc(c1CO)C 34a_200009874777_100015514636 [0,3,0,0,0,0|0,0,0]=3 24526 B13R1.3516 C=CCOc1cccc(c1CO)C 7a_200009874777_100015514636 [0,3,0,0,0,0|0,0,0]=3 24527 B13R1.3516 C=CCOc1cccc(c1OC)Br 34a_100010234590_100015514636 [0,3,0,0,0,0|0,0,0]=3 24528 B13R1.3516 C=CCOc1cccc(c1OC)Cl 34a_200009886253_100015514636 [0,3,0,0,0,0|0,0,0]=3 24529 B13R1.3516 C=CCOc1cccc(c1OC)Cl 7a_200009886253_100015514636 [0,3,0,0,0,0|0,0,0]=3 24530 B13R1.3516 C=CCOc1cccc(c1SC)C 34a_200000099257_100015514636 [0,3,0,0,0,0|0,0,0]=3 24531 B13R1.3516 C=CCOc1cccc(c1SC)C 7a_200000099257_100015514636 [0,3,0,0,0,0|0,0,0]=3 24532 B13R1.3516 C=CCOc1ccnc(c1OC)Cl 34a_100000104430_100015514636 [0,3,0,0,0,0|1,0,0]=4 24533 B13R1.3516 C=CCSc1cccc(c1C#N)Br 62a_100000210623_100010071968 [0,3,0,0,0,0|0,1,0]=4 24534 B13R1.3516 C=CCSc1cccc(c1C#N)Br 62a_100010071968_100000210623 [0,3,0,0,0,0|0,1,0]=4 24535 B13R1.3516 C=CCSc1cccc(c1C#N)C 62a_100000210623_100009819585 [0,3,0,0,0,0|0,1,0]=4 24536 B13R1.3516 C=CCSc1cccc(c1C#N)Cl 62a_100000210623_200000049503 [0,3,0,0,0,0|0,1,0]=4 24537 B13R1.3516 C=CCSc1cccc(c1C#N)F 62a_100000210623_100000039607 [0,3,0,0,0,0|0,1,0]=4 24538 B13R1.3516 C=CCSc1cccc(c1C#N)N 62a_100000210623_100011935054 [0,3,0,0,0,0|0,1,0]=4 24539 B13R1.3516 C=CCSc1cccc(c1C#N)O 62a_100000210623_100012180507 [0,3,0,0,0,0|0,1,0]=4 24540 B13R1.3516 C=CCSc1cccc(c1C=O)C 62a_100000041122_100000210623 [0,3,0,0,0,0|0,1,0]=4 24541 B13R1.3516 C=CCSc1cccc(c1C=O)C 62a_100000210623_100000041122 [0,3,0,0,0,0|0,1,0]=4 24542 B13R1.3516 C=CCSc1cccc(c1C=O)Cl 62a_100000210623_100010147682 [0,3,0,0,0,0|0,1,0]=4 24543 B13R1.3516 C=CCSc1cccc(c1C=O)Cl 62a_100010147682_100000210623 [0,3,0,0,0,0|0,1,0]=4 24544 B13R1.3516 C=CCSc1cccc(c1C=O)F 62a_100000210083_100000210623 [0,3,0,0,0,0|0,1,0]=4 24545 B13R1.3516 C=CCSc1cccc(c1C=O)F 62a_100000210623_100000210083 [0,3,0,0,0,0|0,1,0]=4 24546 B13R1.3516 C=CCSc1cccc(c1C=O)N 62a_100010232536_100000210623 [0,3,0,0,0,0|0,1,0]=4 24547 B13R1.3516 C=CCSc1cccc(c1C=O)O 62a_100000210623_100010193437 [0,3,0,0,0,0|0,1,0]=4 24548 B13R1.3516 C=CCSc1cccc(c1CN)F 62a_100000210623_100012349121 [0,3,0,0,0,0|0,1,0]=4 24549 B13R1.3516 C=CCSc1cccc(c1CN)F 62a_100012349121_100000210623 [0,3,0,0,0,0|0,1,0]=4 24550 B13R1.3516 C=CCSc1cccc(c1CO)F 62a_100000210623_100012355691 [0,3,0,0,0,0|0,1,0]=4 24551 B13R1.3516 C=CCSc1cccc(c1CO)F 62a_100012355691_100000210623 [0,3,0,0,0,0|0,1,0]=4 24552 B13R1.3516 C=CCSc1cccc(c1CO)N 62a_100000210623_100000747656 [0,3,0,0,0,0|0,1,0]=4 24553 B13R1.3516 C=CCSc1cccc(c1CO)N 62a_100000747656_100000210623 [0,3,0,0,0,0|0,1,0]=4 24554 B13R1.3516 C=CCSc1cccc(c1NC)N 62a_100010510394_100000210623 [0,3,0,0,0,0|0,1,0]=4 24555 B13R1.3516 C=CCSc1cccc(c1NN)F 62a_100000210623_100016994982 [0,3,0,0,0,0|0,1,0]=4 24556 B13R1.3516 C=CCSc1cccc(c1NN)F 62a_100016994982_100000210623 [0,3,0,0,0,0|0,1,0]=4 24557 B13R1.3516 C=CCSc1cccc(c1OC)Br 62a_100000210623_100010146560 [0,3,0,0,0,0|0,1,0]=4 24558 B13R1.3516 C=CCSc1cccc(c1OC)Br 62a_100010146560_100000210623 [0,3,0,0,0,0|0,1,0]=4 24559 B13R1.3516 C=CCSc1cccc(c1OC)C 62a_100000210623_100010141385 [0,3,0,0,0,0|0,1,0]=4 24560 B13R1.3516 C=CCSc1cccc(c1OC)C 62a_100010141385_100000210623 [0,3,0,0,0,0|0,1,0]=4 24561 B13R1.3516 C=CCSc1cccc(c1OC)Cl 62a_100000210623_100010147678 [0,3,0,0,0,0|0,1,0]=4 24562 B13R1.3516 C=CCSc1cccc(c1OC)Cl 62a_100010147678_100000210623 [0,3,0,0,0,0|0,1,0]=4 24563 B13R1.3516 C=CCSc1cccc(c1OC)F 62a_100000210623_100009816759 [0,3,0,0,0,0|0,1,0]=4 24564 B13R1.3516 C=CCSc1cccc(c1OC)F 62a_100009816759_100000210623 [0,3,0,0,0,0|0,1,0]=4 24565 B13R1.3516 C=CCSc1cccc(c1OC)N 62a_100011935253_100000210623 [0,3,0,0,0,0|0,1,0]=4 24566 B13R1.3516 C=CCSc1cccc(c1OC)O 62a_100000210623_100010234590 [0,3,0,0,0,0|0,1,0]=4 24567 B13R1.3516 C=CCSc1cccc(c1SC)F 62a_100000210623_200010709249 [0,3,0,0,0,0|0,1,0]=4 24568 B13R1.3516 C=CCSc1cccc(c1SC)F 62a_200010709249_100000210623 [0,3,0,0,0,0|0,1,0]=4 24569 B13R1.3516 COc1c(cccc1OCC=O)Br 34a_100010234590_200009817547 [0,3,0,0,0,0|1,0,0]=4 24570 B13R1.3516 COc1c(cccc1OCC=O)Cl 34a_200009886253_200009817547 [0,3,0,0,0,0|1,0,0]=4 24571 B13R1.3516 COc1c(cccc1OCC=O)Cl 7a_200009886253_200015260668 [0,3,0,0,0,0|1,0,0]=4 24572 B13R1.3516 CSc1c(cccc1OCC=O)C 34a_200000099257_200009817547 [0,3,0,0,0,0|1,0,0]=4 24573 B13R1.3516 CSc1c(cccc1OCC=O)C 7a_200000099257_200015260668 [0,3,0,0,0,0|1,0,0]=4 24574 B13R1.3516 Cc1cccc(c1C#N)OCC=O 34a_100000079363_200009817547 [0,3,0,0,0,0|1,0,0]=4 24575 B13R1.3516 Cc1cccc(c1C#N)OCC=O 7a_100000079363_200015260668 [0,3,0,0,0,0|1,0,0]=4 24576 B13R1.3516 Cc1cccc(c1CO)OCC=O 34a_200009874777_200009817547 [0,3,0,0,0,0|1,0,0]=4 24577 B13R1.3516 Cc1cccc(c1CO)OCC=O 7a_200009874777_200015260668 [0,3,0,0,0,0|1,0,0]=4 24578 B13R1.3516 N#Cc1c(cccc1OCC=O)Br 34a_100012180507_200009817547 [0,3,0,0,0,0|1,0,0]=4 24579 B13R1.3516 N#Cc1c(cccc1OCC=O)Br 7a_100012180507_200015260668 [0,3,0,0,0,0|1,0,0]=4 24580 B13R1.3516 N#Cc1c(cccc1OCC=O)Cl 34a_100000764475_200009817547 [0,3,0,0,0,0|1,0,0]=4 24581 B13R1.3516 N#Cc1c(cccc1OCC=O)Cl 7a_100000764475_200015260668 [0,3,0,0,0,0|1,0,0]=4 24582 B13R1.3516 N#Cc1c(cccc1OCC=O)F 34a_100000741147_200009817547 [0,3,0,0,0,0|1,0,0]=4 24583 B13R1.3516 N#Cc1c(cccc1OCC=O)F 7a_100000741147_200015260668 [0,3,0,0,0,0|1,0,0]=4 24584 B13R1.84 C#Cc1ccccc1CNCC=C 34a_100020634229_100015514636 [0,3,0,0,0,0|1,0,0]=4 24585 B13R1.84 C#Cc1ccccc1COCC=C 34a_100000054652_100015514636 [0,3,0,0,0,0|0,0,0]=3 24586 B13R1.84 C#Cc1ccccc1COCC=C 7a_100000054652_100015514636 [0,3,0,0,0,0|0,0,0]=3 24587 B13R1.84 C#Cc1ccccc1COCC=O 34a_100000054652_200009817547 [0,3,0,0,0,0|1,0,0]=4 24588 B13R1.84 C#Cc1ccccc1COCC=O 7a_100000054652_200015260668 [0,3,0,0,0,0|1,0,0]=4 24589 B13R1.84 C#Cc1ccccc1NC/C=C/C 34a_100011470550_100102629194 [0,3,0,0,0,0|1,0,0]=4 24590 B13R1.84 C#Cc1ccccc1NCC=CC 34a_100011470550_100000070051 [0,3,0,0,0,0|1,0,0]=4 24591 B13R1.84 C#Cc1ccccc1NCCC=C 34a_100011470550_100000754431 [0,3,0,0,0,0|1,0,0]=4 24592 B13R1.84 C#Cc1ccccc1OC/C=C/C 34a_200011470546_100102629194 [0,3,0,0,0,0|0,0,0]=3 24593 B13R1.84 C#Cc1ccccc1OC/C=C/C 7a_200011470546_100102629194 [0,3,0,0,0,0|0,0,0]=3 24594 B13R1.84 C#Cc1ccccc1OCC=CC 34a_200011470546_100000070051 [0,3,0,0,0,0|0,0,0]=3 24595 B13R1.84 C#Cc1ccccc1OCC=CC 7a_200011470546_100000070051 [0,3,0,0,0,0|0,0,0]=3 24596 B13R1.84 C#Cc1ccccc1OCCC=C 34a_200011470546_100000754431 [0,3,0,0,0,0|0,0,0]=3 24597 B13R1.84 C#Cc1ccccc1OCCC=C 7a_200011470546_100000754431 [0,3,0,0,0,0|0,0,0]=3 24598 B13R1.84 C/C=C/CNc1ccccc1C#N 34a_100000211148_100102629194 [0,3,0,0,0,0|1,0,0]=4 24599 B13R1.84 C/C=C/CNc1ccccc1CC 34a_100000212081_100102629194 [0,3,0,0,0,0|1,0,0]=4 24600 B13R1.84 C/C=C/CNc1ccccc1CC 7a_100000212081_100102629194 [0,3,0,0,0,0|1,0,0]=4 24601 B13R1.84 C/C=C/CNc1ccccc1CO 34a_100000212039_100102629194 [0,3,0,0,0,0|1,0,0]=4 24602 B13R1.84 C/C=C/CNc1ccccc1OC 34a_100000210025_100102629194 [0,3,0,0,0,0|1,0,0]=4 24603 B13R1.84 C/C=C/CNc1ccccc1SC 34a_100000211160_100102629194 [0,3,0,0,0,0|1,0,0]=4 24604 B13R1.84 C/C=C/COc1ccccc1C#N 34a_100000211048_100102629194 [0,3,0,0,0,0|0,0,0]=3 24605 B13R1.84 C/C=C/COc1ccccc1C#N 7a_100000211048_100102629194 [0,3,0,0,0,0|0,0,0]=3 24606 B13R1.84 C/C=C/COc1ccccc1CC 34a_100000210936_100102629194 [0,3,0,0,0,0|0,0,0]=3 24607 B13R1.84 C/C=C/COc1ccccc1CC 7a_100000210936_100102629194 [0,3,0,0,0,0|0,0,0]=3 24608 B13R1.84 C/C=C/COc1ccccc1CN 34a_100000185550_100102629194 [0,3,0,0,0,0|0,0,0]=3 24609 B13R1.84 C/C=C/COc1ccccc1CO 34a_100011216872_100102629194 [0,3,0,0,0,0|0,0,0]=3 24610 B13R1.84 C/C=C/COc1ccccc1NC 34a_100000033821_100102629194 [0,3,0,0,0,0|0,0,0]=3 24611 B13R1.84 C/C=C/COc1ccccc1OC 34a_100000210385_100102629194 [0,3,0,0,0,0|0,0,0]=3 24612 B13R1.84 C/C=C/COc1ccccc1SC 34a_100011216402_100102629194 [0,3,0,0,0,0|0,0,0]=3 24613 B13R1.84 C/C=C/COc1cccnc1C#N 34a_100000722750_100102629194 [0,3,0,0,0,0|1,0,0]=4 24614 B13R1.84 C/C=C/COc1cccnc1C#N 7a_100000722750_100102629194 [0,3,0,0,0,0|1,0,0]=4 24615 B13R1.84 C/C=C/COc1cccnc1CBr 34a_200020655725_100102629194 [0,3,0,0,0,0|1,0,0]=4 24616 B13R1.84 C/C=C/COc1cccnc1CBr 7a_200020655725_100102629194 [0,3,0,0,0,0|1,0,0]=4 24617 B13R1.84 C/C=C/COc1cccnc1CO 34a_100000731849_100102629194 [0,3,0,0,0,0|1,0,0]=4 24618 B13R1.84 C/C=C/COc1cccnc1OC 34a_100000698397_100102629194 [0,3,0,0,0,0|1,0,0]=4 24619 B13R1.84 C/C=C/COc1cccnc1OC 7a_100000698397_100102629194 [0,3,0,0,0,0|1,0,0]=4 24620 B13R1.84 C/C=C/COc1cnccc1C#N 7a_100012181322_100102629194 [0,3,0,0,0,0|1,0,0]=4 24621 B13R1.84 C/C=C/COc1cnccc1CO 34a_100000078615_100102629194 [0,3,0,0,0,0|1,0,0]=4 24622 B13R1.84 C/C=C/COc1cnccc1OC 34a_100000101186_100102629194 [0,3,0,0,0,0|1,0,0]=4 24623 B13R1.84 C/C=C/COc1ncccc1OC 34a_100025773188_100102629194 [0,3,0,0,0,0|1,0,0]=4 24624 B13R1.84 C/C=C/CSc1ccccc1C#N 62a_100102629194_100000188569 [0,3,0,0,0,0|0,1,0]=4 24625 B13R1.84 C/C=C/CSc1ccccc1C=O 62a_100000210073_100102629194 [0,3,0,0,0,0|0,1,0]=4 24626 B13R1.84 C/C=C/CSc1ccccc1C=O 62a_100102629194_100000210073 [0,3,0,0,0,0|0,1,0]=4 24627 B13R1.84 C/C=C/CSc1ccccc1CC 62a_100011215823_100102629194 [0,3,0,0,0,0|0,1,0]=4 24628 B13R1.84 C/C=C/CSc1ccccc1CC 62a_100102629194_100011215823 [0,3,0,0,0,0|0,1,0]=4 24629 B13R1.84 C/C=C/CSc1ccccc1CN 62a_100000689332_100102629194 [0,3,0,0,0,0|0,1,0]=4 24630 B13R1.84 C/C=C/CSc1ccccc1CN 62a_100102629194_100000689332 [0,3,0,0,0,0|0,1,0]=4 24631 B13R1.84 C/C=C/CSc1ccccc1CO 62a_100000187465_100102629194 [0,3,0,0,0,0|0,1,0]=4 24632 B13R1.84 C/C=C/CSc1ccccc1CO 62a_100102629194_100000187465 [0,3,0,0,0,0|0,1,0]=4 24633 B13R1.84 C/C=C/CSc1ccccc1NC 62a_100020606079_100102629194 [0,3,0,0,0,0|0,1,0]=4 24634 B13R1.84 C/C=C/CSc1ccccc1NC 62a_100102629194_100020606079 [0,3,0,0,0,0|0,1,0]=4 24635 B13R1.84 C/C=C/CSc1ccccc1NN 62a_100000241748_100102629194 [0,3,0,0,0,0|0,1,0]=4 24636 B13R1.84 C/C=C/CSc1ccccc1NN 62a_100102629194_100000241748 [0,3,0,0,0,0|0,1,0]=4 24637 B13R1.84 C/C=C/CSc1ccccc1OC 62a_100000210334_100102629194 [0,3,0,0,0,0|0,1,0]=4 24638 B13R1.84 C/C=C/CSc1ccccc1OC 62a_100102629194_100000210334 [0,3,0,0,0,0|0,1,0]=4 24639 B13R1.84 C/C=C/CSc1ccccc1SC 62a_100011217816_100102629194 [0,3,0,0,0,0|0,1,0]=4 24640 B13R1.84 C/C=C/CSc1ccccc1SC 62a_100102629194_100011217816 [0,3,0,0,0,0|0,1,0]=4 24641 B13R1.84 C=CCCNc1ccccc1C#N 34a_100000211148_100000754431 [0,3,0,0,0,0|1,0,0]=4 24642 B13R1.84 C=CCCNc1ccccc1C=C 34a_100012022501_100000754431 [0,3,0,0,0,0|1,0,0]=4 24643 B13R1.84 C=CCCNc1ccccc1CC 2230a_100000212081_100000754431 [0,3,0,0,0,0|1,0,0]=4 24644 B13R1.84 C=CCCNc1ccccc1CC 34a_100000212081_100000754431 [0,3,0,0,0,0|1,0,0]=4 24645 B13R1.84 C=CCCNc1ccccc1CC 7a_100000212081_100000754431 [0,3,0,0,0,0|1,0,0]=4 24646 B13R1.84 C=CCCNc1ccccc1CO 34a_100000212039_100000754431 [0,3,0,0,0,0|1,0,0]=4 24647 B13R1.84 C=CCCNc1ccccc1OC 34a_100000210025_100000754431 [0,3,0,0,0,0|1,0,0]=4 24648 B13R1.84 C=CCCNc1ccccc1SC 34a_100000211160_100000754431 [0,3,0,0,0,0|1,0,0]=4 24649 B13R1.84 C=CCCOc1ccccc1C#N 34a_100000211048_100000754431 [0,3,0,0,0,0|0,0,0]=3 24650 B13R1.84 C=CCCOc1ccccc1C#N 7a_100000211048_100000754431 [0,3,0,0,0,0|0,0,0]=3 24651 B13R1.84 C=CCCOc1ccccc1CC 34a_100000210936_100000754431 [0,3,0,0,0,0|0,0,0]=3 24652 B13R1.84 C=CCCOc1ccccc1CC 7a_100000210936_100000754431 [0,3,0,0,0,0|0,0,0]=3 24653 B13R1.84 C=CCCOc1ccccc1CN 34a_100000185550_100000754431 [0,3,0,0,0,0|0,0,0]=3 24654 B13R1.84 C=CCCOc1ccccc1CO 34a_100011216872_100000754431 [0,3,0,0,0,0|0,0,0]=3 24655 B13R1.84 C=CCCOc1ccccc1NC 34a_100000033821_100000754431 [0,3,0,0,0,0|0,0,0]=3 24656 B13R1.84 C=CCCOc1ccccc1OC 34a_100000210385_100000754431 [0,3,0,0,0,0|0,0,0]=3 24657 B13R1.84 C=CCCOc1ccccc1SC 34a_100011216402_100000754431 [0,3,0,0,0,0|0,0,0]=3 24658 B13R1.84 C=CCCOc1cccnc1C#N 34a_100000722750_100000754431 [0,3,0,0,0,0|1,0,0]=4 24659 B13R1.84 C=CCCOc1cccnc1C#N 7a_100000722750_100000754431 [0,3,0,0,0,0|1,0,0]=4 24660 B13R1.84 C=CCCOc1cccnc1CBr 34a_200020655725_100000754431 [0,3,0,0,0,0|1,0,0]=4 24661 B13R1.84 C=CCCOc1cccnc1CBr 7a_200020655725_100000754431 [0,3,0,0,0,0|1,0,0]=4 24662 B13R1.84 C=CCCOc1cccnc1CO 34a_100000731849_100000754431 [0,3,0,0,0,0|1,0,0]=4 24663 B13R1.84 C=CCCOc1cccnc1OC 34a_100000698397_100000754431 [0,3,0,0,0,0|1,0,0]=4 24664 B13R1.84 C=CCCOc1cccnc1OC 7a_100000698397_100000754431 [0,3,0,0,0,0|1,0,0]=4 24665 B13R1.84 C=CCCOc1cnccc1C#N 7a_100012181322_100000754431 [0,3,0,0,0,0|1,0,0]=4 24666 B13R1.84 C=CCCOc1cnccc1CO 34a_100000078615_100000754431 [0,3,0,0,0,0|1,0,0]=4 24667 B13R1.84 C=CCCOc1cnccc1OC 34a_100000101186_100000754431 [0,3,0,0,0,0|1,0,0]=4 24668 B13R1.84 C=CCCOc1ncccc1OC 34a_100025773188_100000754431 [0,3,0,0,0,0|1,0,0]=4 24669 B13R1.84 C=CCCSc1ccccc1C#N 62a_100000754431_100000188569 [0,3,0,0,0,0|0,1,0]=4 24670 B13R1.84 C=CCCSc1ccccc1C=C 62a_100000754431_100011218376 [0,3,0,0,0,0|0,1,0]=4 24671 B13R1.84 C=CCCSc1ccccc1C=C 62a_100011218376_100000754431 [0,3,0,0,0,0|0,1,0]=4 24672 B13R1.84 C=CCCSc1ccccc1C=O 62a_100000210073_100000754431 [0,3,0,0,0,0|0,1,0]=4 24673 B13R1.84 C=CCCSc1ccccc1C=O 62a_100000754431_100000210073 [0,3,0,0,0,0|0,1,0]=4 24674 B13R1.84 C=CCCSc1ccccc1CC 62a_100000754431_100011215823 [0,3,0,0,0,0|0,1,0]=4 24675 B13R1.84 C=CCCSc1ccccc1CC 62a_100011215823_100000754431 [0,3,0,0,0,0|0,1,0]=4 24676 B13R1.84 C=CCCSc1ccccc1CN 62a_100000689332_100000754431 [0,3,0,0,0,0|0,1,0]=4 24677 B13R1.84 C=CCCSc1ccccc1CN 62a_100000754431_100000689332 [0,3,0,0,0,0|0,1,0]=4 24678 B13R1.84 C=CCCSc1ccccc1CO 62a_100000187465_100000754431 [0,3,0,0,0,0|0,1,0]=4 24679 B13R1.84 C=CCCSc1ccccc1CO 62a_100000754431_100000187465 [0,3,0,0,0,0|0,1,0]=4 24680 B13R1.84 C=CCCSc1ccccc1NC 62a_100000754431_100020606079 [0,3,0,0,0,0|0,1,0]=4 24681 B13R1.84 C=CCCSc1ccccc1NC 62a_100020606079_100000754431 [0,3,0,0,0,0|0,1,0]=4 24682 B13R1.84 C=CCCSc1ccccc1NN 62a_100000241748_100000754431 [0,3,0,0,0,0|0,1,0]=4 24683 B13R1.84 C=CCCSc1ccccc1NN 62a_100000754431_100000241748 [0,3,0,0,0,0|0,1,0]=4 24684 B13R1.84 C=CCCSc1ccccc1OC 62a_100000210334_100000754431 [0,3,0,0,0,0|0,1,0]=4 24685 B13R1.84 C=CCCSc1ccccc1OC 62a_100000754431_100000210334 [0,3,0,0,0,0|0,1,0]=4 24686 B13R1.84 C=CCCSc1ccccc1SC 62a_100000754431_100011217816 [0,3,0,0,0,0|0,1,0]=4 24687 B13R1.84 C=CCCSc1ccccc1SC 62a_100011217816_100000754431 [0,3,0,0,0,0|0,1,0]=4 24688 B13R1.84 C=CCNCc1ccccc1C#N 2230a_100020586998_100000181865 [0,3,0,0,0,0|1,0,0]=4 24689 B13R1.84 C=CCNCc1ccccc1C#N 34a_100016989011_100015514636 [0,3,0,0,0,0|1,0,0]=4 24690 B13R1.84 C=CCNCc1ccccc1C=O 2230a_100020586998_200009853537 [0,3,0,0,0,0|1,0,0]=4 24691 B13R1.84 C=CCNCc1ccccc1CC 270004a_100020586998_100011219594 [0,3,0,0,0,0|1,0,0]=4 24692 B13R1.84 C=CCNCc1ccccc1CO 2230a_100020586998_100009816955 [0,3,0,0,0,0|1,0,0]=4 24693 B13R1.84 C=CCNCc1ccccc1OC 2230a_100020586998_100000210004 [0,3,0,0,0,0|1,0,0]=4 24694 B13R1.84 C=CCNCc1ccccc1OC 270004a_100020586998_100000169842 [0,3,0,0,0,0|1,0,0]=4 24695 B13R1.84 C=CCNCc1ccccc1OC 34a_100000188900_100015514636 [0,3,0,0,0,0|1,0,0]=4 24696 B13R1.84 C=CCNCc1ccccc1SC 2230a_100020586998_100000699184 [0,3,0,0,0,0|1,0,0]=4 24697 B13R1.84 C=CCNCc1ccccc1SC 270004a_100020586998_100011217347 [0,3,0,0,0,0|1,0,0]=4 24698 B13R1.84 C=CCNCc1ccccc1SC 34a_102495365025_100015514636 [0,3,0,0,0,0|1,0,0]=4 24699 B13R1.84 C=CCOCc1ccccc1C#N 34a_200000210373_100000181865 [0,3,0,0,0,0|0,0,0]=3 24700 B13R1.84 C=CCOCc1ccccc1C#N 34a_200011269968_100015514636 [0,3,0,0,0,0|0,0,0]=3 24701 B13R1.84 C=CCOCc1ccccc1C#N 7a_200011269968_100015514636 [0,3,0,0,0,0|0,0,0]=3 24702 B13R1.84 C=CCOCc1ccccc1C=C 34a_200010883148_100015514636 [0,3,0,0,0,0|0,0,0]=3 24703 B13R1.84 C=CCOCc1ccccc1C=C 7a_200010883148_100015514636 [0,3,0,0,0,0|0,0,0]=3 24704 B13R1.84 C=CCOCc1ccccc1C=O 34a_200000210373_200009853537 [0,3,0,0,0,0|0,0,0]=3 24705 B13R1.84 C=CCOCc1ccccc1CBr 34a_100009816955_100015514636 [0,3,0,0,0,0|0,0,0]=3 24706 B13R1.84 C=CCOCc1ccccc1CBr 7a_100009816955_100015514636 [0,3,0,0,0,0|0,0,0]=3 24707 B13R1.84 C=CCOCc1ccccc1CC 34a_100011663872_100015514636 [0,3,0,0,0,0|0,0,0]=3 24708 B13R1.84 C=CCOCc1ccccc1CC 7a_100011663872_100015514636 [0,3,0,0,0,0|0,0,0]=3 24709 B13R1.84 C=CCOCc1ccccc1CN 34a_100000743596_100015514636 [0,3,0,0,0,0|0,0,0]=3 24710 B13R1.84 C=CCOCc1ccccc1CO 34a_200000210373_100009816955 [0,3,0,0,0,0|0,0,0]=3 24711 B13R1.84 C=CCOCc1ccccc1OC 34a_100000211301_100015514636 [0,3,0,0,0,0|0,0,0]=3 24712 B13R1.84 C=CCOCc1ccccc1OC 34a_200000210373_100000210004 [0,3,0,0,0,0|0,0,0]=3 24713 B13R1.84 C=CCOCc1ccccc1SC 34a_100000699167_100015514636 [0,3,0,0,0,0|0,0,0]=3 24714 B13R1.84 C=CCOCc1ccccc1SC 34a_200000210373_100000699184 [0,3,0,0,0,0|0,0,0]=3 24715 B13R1.84 C=CCOCc1cccnc1C#N 34a_200000210373_100011768898 [0,3,0,0,0,0|1,0,0]=4 24716 B13R1.84 C=CCOCc1cccnc1OC 34a_100000717863_100015514636 [0,3,0,0,0,0|1,0,0]=4 24717 B13R1.84 C=CCOCc1cccnc1OC 34a_200000210373_100020631285 [0,3,0,0,0,0|1,0,0]=4 24718 B13R1.84 C=CCOCc1ncccc1OC 34a_100011998681_100015514636 [0,3,0,0,0,0|1,0,0]=4 24719 B13R1.84 C=CCSCc1ccccc1C#N 62a_100000186380_100000210623 [0,3,0,0,0,0|0,1,0]=4 24720 B13R1.84 C=CCSCc1ccccc1C#N 62a_100000210623_100000181865 [0,3,0,0,0,0|0,1,0]=4 24721 B13R1.84 C=CCSCc1ccccc1C=O 62a_100000210623_200009853537 [0,3,0,0,0,0|0,1,0]=4 24722 B13R1.84 C=CCSCc1ccccc1C=O 62a_200009853537_100000210623 [0,3,0,0,0,0|0,1,0]=4 24723 B13R1.84 C=CCSCc1ccccc1CO 62a_100000210623_100009816955 [0,3,0,0,0,0|0,1,0]=4 24724 B13R1.84 C=CCSCc1ccccc1CO 62a_100009816955_100000210623 [0,3,0,0,0,0|0,1,0]=4 24725 B13R1.84 C=CCSCc1ccccc1OC 62a_100000210004_100000210623 [0,3,0,0,0,0|0,1,0]=4 24726 B13R1.84 C=CCSCc1ccccc1OC 62a_100000210623_100000210004 [0,3,0,0,0,0|0,1,0]=4 24727 B13R1.84 C=CCSCc1ccccc1SC 62a_100000210623_100000699184 [0,3,0,0,0,0|0,1,0]=4 24728 B13R1.84 C=CCSCc1ccccc1SC 62a_100000699184_100000210623 [0,3,0,0,0,0|0,1,0]=4 24729 B13R1.84 C=Cc1ccccc1COCC=O 34a_200010883148_200009817547 [0,3,0,0,0,0|1,0,0]=4 24730 B13R1.84 C=Cc1ccccc1COCC=O 7a_200010883148_200015260668 [0,3,0,0,0,0|1,0,0]=4 24731 B13R1.84 C=Cc1ccccc1NC/C=C/C 34a_100012022501_100102629194 [0,3,0,0,0,0|1,0,0]=4 24732 B13R1.84 C=Cc1ccccc1NCC=CC 34a_100012022501_100000070051 [0,3,0,0,0,0|1,0,0]=4 24733 B13R1.84 C=Cc1ccccc1SC/C=C/C 62a_100011218376_100102629194 [0,3,0,0,0,0|0,1,0]=4 24734 B13R1.84 C=Cc1ccccc1SC/C=C/C 62a_100102629194_100011218376 [0,3,0,0,0,0|0,1,0]=4 24735 B13R1.84 C=Cc1ccccc1SCC=CC 62a_100000070051_100011218376 [0,3,0,0,0,0|0,1,0]=4 24736 B13R1.84 C=Cc1ccccc1SCC=CC 62a_100011218376_100000070051 [0,3,0,0,0,0|0,1,0]=4 24737 B13R1.84 CC=CCNc1ccccc1C#N 34a_100000211148_100000070051 [0,3,0,0,0,0|1,0,0]=4 24738 B13R1.84 CC=CCNc1ccccc1CC 2230a_100000212081_100000070051 [0,3,0,0,0,0|1,0,0]=4 24739 B13R1.84 CC=CCNc1ccccc1CC 34a_100000212081_100000070051 [0,3,0,0,0,0|1,0,0]=4 24740 B13R1.84 CC=CCNc1ccccc1CC 7a_100000212081_100000070051 [0,3,0,0,0,0|1,0,0]=4 24741 B13R1.84 CC=CCNc1ccccc1CO 34a_100000212039_100000070051 [0,3,0,0,0,0|1,0,0]=4 24742 B13R1.84 CC=CCNc1ccccc1OC 34a_100000210025_100000070051 [0,3,0,0,0,0|1,0,0]=4 24743 B13R1.84 CC=CCNc1ccccc1SC 34a_100000211160_100000070051 [0,3,0,0,0,0|1,0,0]=4 24744 B13R1.84 CC=CCOc1ccccc1C#N 34a_100000211048_100000070051 [0,3,0,0,0,0|0,0,0]=3 24745 B13R1.84 CC=CCOc1ccccc1C#N 7a_100000211048_100000070051 [0,3,0,0,0,0|0,0,0]=3 24746 B13R1.84 CC=CCOc1ccccc1CC 34a_100000210936_100000070051 [0,3,0,0,0,0|0,0,0]=3 24747 B13R1.84 CC=CCOc1ccccc1CC 7a_100000210936_100000070051 [0,3,0,0,0,0|0,0,0]=3 24748 B13R1.84 CC=CCOc1ccccc1CN 34a_100000185550_100000070051 [0,3,0,0,0,0|0,0,0]=3 24749 B13R1.84 CC=CCOc1ccccc1CO 34a_100011216872_100000070051 [0,3,0,0,0,0|0,0,0]=3 24750 B13R1.84 CC=CCOc1ccccc1NC 34a_100000033821_100000070051 [0,3,0,0,0,0|0,0,0]=3 24751 B13R1.84 CC=CCOc1ccccc1OC 34a_100000210385_100000070051 [0,3,0,0,0,0|0,0,0]=3 24752 B13R1.84 CC=CCOc1ccccc1SC 34a_100011216402_100000070051 [0,3,0,0,0,0|0,0,0]=3 24753 B13R1.84 CC=CCOc1cccnc1C#N 34a_100000722750_100000070051 [0,3,0,0,0,0|1,0,0]=4 24754 B13R1.84 CC=CCOc1cccnc1C#N 7a_100000722750_100000070051 [0,3,0,0,0,0|1,0,0]=4 24755 B13R1.84 CC=CCOc1cccnc1CBr 34a_200020655725_100000070051 [0,3,0,0,0,0|1,0,0]=4 24756 B13R1.84 CC=CCOc1cccnc1CBr 7a_200020655725_100000070051 [0,3,0,0,0,0|1,0,0]=4 24757 B13R1.84 CC=CCOc1cccnc1CO 34a_100000731849_100000070051 [0,3,0,0,0,0|1,0,0]=4 24758 B13R1.84 CC=CCOc1cccnc1OC 34a_100000698397_100000070051 [0,3,0,0,0,0|1,0,0]=4 24759 B13R1.84 CC=CCOc1cccnc1OC 7a_100000698397_100000070051 [0,3,0,0,0,0|1,0,0]=4 24760 B13R1.84 CC=CCOc1cnccc1C#N 7a_100012181322_100000070051 [0,3,0,0,0,0|1,0,0]=4 24761 B13R1.84 CC=CCOc1cnccc1CO 34a_100000078615_100000070051 [0,3,0,0,0,0|1,0,0]=4 24762 B13R1.84 CC=CCOc1cnccc1OC 34a_100000101186_100000070051 [0,3,0,0,0,0|1,0,0]=4 24763 B13R1.84 CC=CCOc1ncccc1OC 34a_100025773188_100000070051 [0,3,0,0,0,0|1,0,0]=4 24764 B13R1.84 CC=CCSc1ccccc1C#N 62a_100000070051_100000188569 [0,3,0,0,0,0|0,1,0]=4 24765 B13R1.84 CC=CCSc1ccccc1C=O 62a_100000070051_100000210073 [0,3,0,0,0,0|0,1,0]=4 24766 B13R1.84 CC=CCSc1ccccc1C=O 62a_100000210073_100000070051 [0,3,0,0,0,0|0,1,0]=4 24767 B13R1.84 CC=CCSc1ccccc1CC 62a_100000070051_100011215823 [0,3,0,0,0,0|0,1,0]=4 24768 B13R1.84 CC=CCSc1ccccc1CC 62a_100011215823_100000070051 [0,3,0,0,0,0|0,1,0]=4 24769 B13R1.84 CC=CCSc1ccccc1CN 62a_100000070051_100000689332 [0,3,0,0,0,0|0,1,0]=4 24770 B13R1.84 CC=CCSc1ccccc1CN 62a_100000689332_100000070051 [0,3,0,0,0,0|0,1,0]=4 24771 B13R1.84 CC=CCSc1ccccc1CO 62a_100000070051_100000187465 [0,3,0,0,0,0|0,1,0]=4 24772 B13R1.84 CC=CCSc1ccccc1CO 62a_100000187465_100000070051 [0,3,0,0,0,0|0,1,0]=4 24773 B13R1.84 CC=CCSc1ccccc1NC 62a_100000070051_100020606079 [0,3,0,0,0,0|0,1,0]=4 24774 B13R1.84 CC=CCSc1ccccc1NC 62a_100020606079_100000070051 [0,3,0,0,0,0|0,1,0]=4 24775 B13R1.84 CC=CCSc1ccccc1NN 62a_100000070051_100000241748 [0,3,0,0,0,0|0,1,0]=4 24776 B13R1.84 CC=CCSc1ccccc1NN 62a_100000241748_100000070051 [0,3,0,0,0,0|0,1,0]=4 24777 B13R1.84 CC=CCSc1ccccc1OC 62a_100000070051_100000210334 [0,3,0,0,0,0|0,1,0]=4 24778 B13R1.84 CC=CCSc1ccccc1OC 62a_100000210334_100000070051 [0,3,0,0,0,0|0,1,0]=4 24779 B13R1.84 CC=CCSc1ccccc1SC 62a_100000070051_100011217816 [0,3,0,0,0,0|0,1,0]=4 24780 B13R1.84 CC=CCSc1ccccc1SC 62a_100011217816_100000070051 [0,3,0,0,0,0|0,1,0]=4 24781 B13R1.84 CCc1ccccc1COCC=O 34a_100011663872_200009817547 [0,3,0,0,0,0|1,0,0]=4 24782 B13R1.84 CCc1ccccc1COCC=O 7a_100011663872_200015260668 [0,3,0,0,0,0|1,0,0]=4 24783 B13R1.84 COc1ccccc1COCC=O 34a_100000211301_200009817547 [0,3,0,0,0,0|1,0,0]=4 24784 B13R1.84 CSc1ccccc1COCC=O 34a_100000699167_200009817547 [0,3,0,0,0,0|1,0,0]=4 24785 B13R1.84 N#Cc1ccccc1COCC=O 34a_200011269968_200009817547 [0,3,0,0,0,0|1,0,0]=4 24786 B13R1.84 N#Cc1ccccc1COCC=O 7a_200011269968_200015260668 [0,3,0,0,0,0|1,0,0]=4 24787 B13R1.84 NCc1ccccc1COCC=O 34a_100000743596_200009817547 [0,3,0,0,0,0|1,0,0]=4 24788 B13R1.84 O=CCOCc1ccccc1CBr 34a_100009816955_200009817547 [0,3,0,0,0,0|1,0,0]=4 24789 B13R1.84 O=CCOCc1ccccc1CBr 7a_100009816955_200015260668 [0,3,0,0,0,0|1,0,0]=4 24790 B13R1.90 C#Cc1ccccc1NCC(=C)C 34a_100011470550_100000748629 [0,3,0,0,0,0|1,0,0]=4 24791 B13R1.90 C#Cc1ccccc1NCC(=C)F 34a_100011470550_100009893438 [0,3,0,0,0,0|1,0,0]=4 24792 B13R1.90 C#Cc1ccccc1OCC(=C)C 34a_200011470546_100000748629 [0,3,0,0,0,0|0,0,0]=3 24793 B13R1.90 C#Cc1ccccc1OCC(=C)C 7a_200011470546_100000748629 [0,3,0,0,0,0|0,0,0]=3 24794 B13R1.90 C#Cc1ccccc1OCC(=C)F 34a_200011470546_100009893438 [0,3,0,0,0,0|0,0,0]=3 24795 B13R1.90 C#Cc1ccccc1OCC(=C)F 7a_200011470546_100000042424 [0,3,0,0,0,0|0,0,0]=3 24796 B13R1.90 C#Cc1ccccc1OCC(=O)N 34a_200011470546_100000187820 [0,3,0,0,0,0|1,0,0]=4 24797 B13R1.90 C#Cc1ccccc1OCC(=O)N 7a_200011470546_100000187820 [0,3,0,0,0,0|1,0,0]=4 24798 B13R1.90 C#Cc1ccccc1OCC(=O)[O-] 34a_200011470546_100020667443 [0,3,0,0,0,0|1,0,0]=4 24799 B13R1.90 C=C(C)CNc1ccccc1C#N 34a_100000211148_100000748629 [0,3,0,0,0,0|1,0,0]=4 24800 B13R1.90 C=C(C)CNc1ccccc1CC 2230a_100000212081_100000748629 [0,3,0,0,0,0|1,0,0]=4 24801 B13R1.90 C=C(C)CNc1ccccc1CC 34a_100000212081_100000748629 [0,3,0,0,0,0|1,0,0]=4 24802 B13R1.90 C=C(C)CNc1ccccc1CC 7a_100000212081_100000748629 [0,3,0,0,0,0|1,0,0]=4 24803 B13R1.90 C=C(C)CNc1ccccc1CO 34a_100000212039_100000748629 [0,3,0,0,0,0|1,0,0]=4 24804 B13R1.90 C=C(C)CNc1ccccc1OC 34a_100000210025_100000748629 [0,3,0,0,0,0|1,0,0]=4 24805 B13R1.90 C=C(C)CNc1ccccc1SC 34a_100000211160_100000748629 [0,3,0,0,0,0|1,0,0]=4 24806 B13R1.90 C=C(C)COc1ccccc1C#N 34a_100000211048_100000748629 [0,3,0,0,0,0|0,0,0]=3 24807 B13R1.90 C=C(C)COc1ccccc1C#N 7a_100000211048_100000748629 [0,3,0,0,0,0|0,0,0]=3 24808 B13R1.90 C=C(C)COc1ccccc1CC 34a_100000210936_100000748629 [0,3,0,0,0,0|0,0,0]=3 24809 B13R1.90 C=C(C)COc1ccccc1CC 7a_100000210936_100000748629 [0,3,0,0,0,0|0,0,0]=3 24810 B13R1.90 C=C(C)COc1ccccc1CN 34a_100000185550_100000748629 [0,3,0,0,0,0|0,0,0]=3 24811 B13R1.90 C=C(C)COc1ccccc1CO 34a_100011216872_100000748629 [0,3,0,0,0,0|0,0,0]=3 24812 B13R1.90 C=C(C)COc1ccccc1NC 2230a_100000243823_200000210301 [0,3,0,0,0,0|0,0,0]=3 24813 B13R1.90 C=C(C)COc1ccccc1NC 34a_100000033821_100000748629 [0,3,0,0,0,0|0,0,0]=3 24814 B13R1.90 C=C(C)COc1ccccc1NC 34a_100000243823_200000210301 [0,3,0,0,0,0|0,0,0]=3 24815 B13R1.90 C=C(C)COc1ccccc1N[13CH3] 2230a_100000243823_200025704644 [0,3,0,0,0,0|0,0,0]=3 24816 B13R1.90 C=C(C)COc1ccccc1N[13CH3] 34a_100000243823_200025704644 [0,3,0,0,0,0|0,0,0]=3 24817 B13R1.90 C=C(C)COc1ccccc1OC 34a_100000210385_100000748629 [0,3,0,0,0,0|0,0,0]=3 24818 B13R1.90 C=C(C)COc1ccccc1SC 34a_100011216402_100000748629 [0,3,0,0,0,0|0,0,0]=3 24819 B13R1.90 C=C(C)COc1cccnc1C#N 34a_100000722750_100000748629 [0,3,0,0,0,0|1,0,0]=4 24820 B13R1.90 C=C(C)COc1cccnc1C#N 7a_100000722750_100000748629 [0,3,0,0,0,0|1,0,0]=4 24821 B13R1.90 C=C(C)COc1cccnc1CBr 34a_200020655725_100000748629 [0,3,0,0,0,0|1,0,0]=4 24822 B13R1.90 C=C(C)COc1cccnc1CBr 7a_200020655725_100000748629 [0,3,0,0,0,0|1,0,0]=4 24823 B13R1.90 C=C(C)COc1cccnc1CO 34a_100000731849_100000748629 [0,3,0,0,0,0|1,0,0]=4 24824 B13R1.90 C=C(C)COc1cccnc1OC 34a_100000698397_100000748629 [0,3,0,0,0,0|1,0,0]=4 24825 B13R1.90 C=C(C)COc1cccnc1OC 7a_100000698397_100000748629 [0,3,0,0,0,0|1,0,0]=4 24826 B13R1.90 C=C(C)COc1cnccc1C#N 7a_100012181322_100000748629 [0,3,0,0,0,0|1,0,0]=4 24827 B13R1.90 C=C(C)COc1cnccc1CO 34a_100000078615_100000748629 [0,3,0,0,0,0|1,0,0]=4 24828 B13R1.90 C=C(C)COc1cnccc1OC 34a_100000101186_100000748629 [0,3,0,0,0,0|1,0,0]=4 24829 B13R1.90 C=C(C)COc1ncccc1OC 34a_100025773188_100000748629 [0,3,0,0,0,0|1,0,0]=4 24830 B13R1.90 C=C(C)CSc1ccccc1C#N 62a_100000748629_100000188569 [0,3,0,0,0,0|0,1,0]=4 24831 B13R1.90 C=C(C)CSc1ccccc1C=O 62a_100000210073_100000211660 [0,3,0,0,0,0|0,1,0]=4 24832 B13R1.90 C=C(C)CSc1ccccc1C=O 62a_100000748629_100000210073 [0,3,0,0,0,0|0,1,0]=4 24833 B13R1.90 C=C(C)CSc1ccccc1CC 62a_100000748629_100011215823 [0,3,0,0,0,0|0,1,0]=4 24834 B13R1.90 C=C(C)CSc1ccccc1CC 62a_100011215823_100000211660 [0,3,0,0,0,0|0,1,0]=4 24835 B13R1.90 C=C(C)CSc1ccccc1CN 62a_100000689332_100000211660 [0,3,0,0,0,0|0,1,0]=4 24836 B13R1.90 C=C(C)CSc1ccccc1CN 62a_100000748629_100000689332 [0,3,0,0,0,0|0,1,0]=4 24837 B13R1.90 C=C(C)CSc1ccccc1CO 62a_100000187465_100000211660 [0,3,0,0,0,0|0,1,0]=4 24838 B13R1.90 C=C(C)CSc1ccccc1CO 62a_100000748629_100000187465 [0,3,0,0,0,0|0,1,0]=4 24839 B13R1.90 C=C(C)CSc1ccccc1NC 62a_100000748629_100020606079 [0,3,0,0,0,0|0,1,0]=4 24840 B13R1.90 C=C(C)CSc1ccccc1NC 62a_100020606079_100000211660 [0,3,0,0,0,0|0,1,0]=4 24841 B13R1.90 C=C(C)CSc1ccccc1NN 62a_100000241748_100000211660 [0,3,0,0,0,0|0,1,0]=4 24842 B13R1.90 C=C(C)CSc1ccccc1NN 62a_100000748629_100000241748 [0,3,0,0,0,0|0,1,0]=4 24843 B13R1.90 C=C(C)CSc1ccccc1OC 62a_100000210334_100000211660 [0,3,0,0,0,0|0,1,0]=4 24844 B13R1.90 C=C(C)CSc1ccccc1OC 62a_100000748629_100000210334 [0,3,0,0,0,0|0,1,0]=4 24845 B13R1.90 C=C(C)CSc1ccccc1SC 62a_100000748629_100011217816 [0,3,0,0,0,0|0,1,0]=4 24846 B13R1.90 C=C(C)CSc1ccccc1SC 62a_100011217816_100000211660 [0,3,0,0,0,0|0,1,0]=4 24847 B13R1.90 C=C(F)CNc1ccccc1C#N 34a_100000211148_100009893438 [0,3,0,0,0,0|1,0,0]=4 24848 B13R1.90 C=C(F)CNc1ccccc1CC 2230a_100000212081_100009893438 [0,3,0,0,0,0|1,0,0]=4 24849 B13R1.90 C=C(F)CNc1ccccc1CC 34a_100000212081_100009893438 [0,3,0,0,0,0|1,0,0]=4 24850 B13R1.90 C=C(F)CNc1ccccc1CC 7a_100000212081_100000042424 [0,3,0,0,0,0|1,0,0]=4 24851 B13R1.90 C=C(F)CNc1ccccc1CO 34a_100000212039_100009893438 [0,3,0,0,0,0|1,0,0]=4 24852 B13R1.90 C=C(F)CNc1ccccc1OC 34a_100000210025_100009893438 [0,3,0,0,0,0|1,0,0]=4 24853 B13R1.90 C=C(F)CNc1ccccc1SC 34a_100000211160_100009893438 [0,3,0,0,0,0|1,0,0]=4 24854 B13R1.90 C=C(F)COc1ccccc1C#N 34a_100000211048_100009893438 [0,3,0,0,0,0|0,0,0]=3 24855 B13R1.90 C=C(F)COc1ccccc1C#N 7a_100000211048_100000042424 [0,3,0,0,0,0|0,0,0]=3 24856 B13R1.90 C=C(F)COc1ccccc1CC 34a_100000210936_100009893438 [0,3,0,0,0,0|0,0,0]=3 24857 B13R1.90 C=C(F)COc1ccccc1CC 7a_100000210936_100000042424 [0,3,0,0,0,0|0,0,0]=3 24858 B13R1.90 C=C(F)COc1ccccc1CN 34a_100000185550_100009893438 [0,3,0,0,0,0|0,0,0]=3 24859 B13R1.90 C=C(F)COc1ccccc1CO 34a_100011216872_100009893438 [0,3,0,0,0,0|0,0,0]=3 24860 B13R1.90 C=C(F)COc1ccccc1NC 34a_100000033821_100009893438 [0,3,0,0,0,0|0,0,0]=3 24861 B13R1.90 C=C(F)COc1ccccc1OC 34a_100000210385_100009893438 [0,3,0,0,0,0|0,0,0]=3 24862 B13R1.90 C=C(F)COc1ccccc1SC 34a_100011216402_100009893438 [0,3,0,0,0,0|0,0,0]=3 24863 B13R1.90 C=C(F)COc1cccnc1C#N 34a_100000722750_100009893438 [0,3,0,0,0,0|1,0,0]=4 24864 B13R1.90 C=C(F)COc1cccnc1C#N 7a_100000722750_100000042424 [0,3,0,0,0,0|1,0,0]=4 24865 B13R1.90 C=C(F)COc1cccnc1CBr 34a_200020655725_100009893438 [0,3,0,0,0,0|1,0,0]=4 24866 B13R1.90 C=C(F)COc1cccnc1CBr 7a_200020655725_100000042424 [0,3,0,0,0,0|1,0,0]=4 24867 B13R1.90 C=C(F)COc1cccnc1CO 34a_100000731849_100009893438 [0,3,0,0,0,0|1,0,0]=4 24868 B13R1.90 C=C(F)COc1cccnc1OC 34a_100000698397_100009893438 [0,3,0,0,0,0|1,0,0]=4 24869 B13R1.90 C=C(F)COc1cccnc1OC 7a_100000698397_100000042424 [0,3,0,0,0,0|1,0,0]=4 24870 B13R1.90 C=C(F)COc1cnccc1C#N 7a_100012181322_100000042424 [0,3,0,0,0,0|1,0,0]=4 24871 B13R1.90 C=C(F)COc1cnccc1CO 34a_100000078615_100009893438 [0,3,0,0,0,0|1,0,0]=4 24872 B13R1.90 C=C(F)COc1cnccc1OC 34a_100000101186_100009893438 [0,3,0,0,0,0|1,0,0]=4 24873 B13R1.90 C=C(F)COc1ncccc1OC 34a_100025773188_100009893438 [0,3,0,0,0,0|1,0,0]=4 24874 B13R1.90 C=C(F)CSc1ccccc1C#N 62a_100000042424_100000188569 [0,3,0,0,0,0|0,1,0]=4 24875 B13R1.90 C=C(F)CSc1ccccc1C=O 62a_100000042424_100000210073 [0,3,0,0,0,0|0,1,0]=4 24876 B13R1.90 C=C(F)CSc1ccccc1C=O 62a_100000210073_100000042424 [0,3,0,0,0,0|0,1,0]=4 24877 B13R1.90 C=C(F)CSc1ccccc1CC 62a_100000042424_100011215823 [0,3,0,0,0,0|0,1,0]=4 24878 B13R1.90 C=C(F)CSc1ccccc1CC 62a_100011215823_100000042424 [0,3,0,0,0,0|0,1,0]=4 24879 B13R1.90 C=C(F)CSc1ccccc1CN 62a_100000042424_100000689332 [0,3,0,0,0,0|0,1,0]=4 24880 B13R1.90 C=C(F)CSc1ccccc1CN 62a_100000689332_100000042424 [0,3,0,0,0,0|0,1,0]=4 24881 B13R1.90 C=C(F)CSc1ccccc1CO 62a_100000042424_100000187465 [0,3,0,0,0,0|0,1,0]=4 24882 B13R1.90 C=C(F)CSc1ccccc1CO 62a_100000187465_100000042424 [0,3,0,0,0,0|0,1,0]=4 24883 B13R1.90 C=C(F)CSc1ccccc1NC 62a_100000042424_100020606079 [0,3,0,0,0,0|0,1,0]=4 24884 B13R1.90 C=C(F)CSc1ccccc1NC 62a_100020606079_100000042424 [0,3,0,0,0,0|0,1,0]=4 24885 B13R1.90 C=C(F)CSc1ccccc1NN 62a_100000042424_100000241748 [0,3,0,0,0,0|0,1,0]=4 24886 B13R1.90 C=C(F)CSc1ccccc1NN 62a_100000241748_100000042424 [0,3,0,0,0,0|0,1,0]=4 24887 B13R1.90 C=C(F)CSc1ccccc1OC 62a_100000042424_100000210334 [0,3,0,0,0,0|0,1,0]=4 24888 B13R1.90 C=C(F)CSc1ccccc1OC 62a_100000210334_100000042424 [0,3,0,0,0,0|0,1,0]=4 24889 B13R1.90 C=C(F)CSc1ccccc1SC 62a_100000042424_100011217816 [0,3,0,0,0,0|0,1,0]=4 24890 B13R1.90 C=C(F)CSc1ccccc1SC 62a_100011217816_100000042424 [0,3,0,0,0,0|0,1,0]=4 24891 B13R1.90 C=Cc1ccccc1NCC(=C)C 34a_100012022501_100000748629 [0,3,0,0,0,0|1,0,0]=4 24892 B13R1.90 C=Cc1ccccc1NCC(=C)F 34a_100012022501_100009893438 [0,3,0,0,0,0|1,0,0]=4 24893 B13R1.90 C=Cc1ccccc1OCC(=O)N 271570a_100011290941_200000148491 [0,3,0,0,0,0|1,0,0]=4 24894 B13R1.90 C=Cc1ccccc1SCC(=C)C 62a_100000748629_100011218376 [0,3,0,0,0,0|0,1,0]=4 24895 B13R1.90 C=Cc1ccccc1SCC(=C)C 62a_100011218376_100000211660 [0,3,0,0,0,0|0,1,0]=4 24896 B13R1.90 C=Cc1ccccc1SCC(=C)F 62a_100000042424_100011218376 [0,3,0,0,0,0|0,1,0]=4 24897 B13R1.90 C=Cc1ccccc1SCC(=C)F 62a_100011218376_100000042424 [0,3,0,0,0,0|0,1,0]=4 24898 B13R1.90 CC(=O)COc1ccccc1C#N 1458a_100000182527_200000210301 [0,3,0,0,0,0|0,0,1]=4 24899 B13R1.90 CC(=O)COc1ccccc1CO 1458a_200011894254_200000210301 [0,3,0,0,0,0|0,0,1]=4 24900 B13R1.90 CCc1ccccc1OCC(=O)C 1458a_100000182566_200000210301 [0,3,0,0,0,0|0,0,1]=4 24901 B13R1.90 CCc1ccccc1OCC(=O)N 34a_100000210936_100000187820 [0,3,0,0,0,0|1,0,0]=4 24902 B13R1.90 CCc1ccccc1OCC(=O)N 7a_100000210936_100000187820 [0,3,0,0,0,0|1,0,0]=4 24903 B13R1.90 CCc1ccccc1OCC(=O)[13CH3] 1458a_100000182566_200025704644 [0,3,0,0,0,0|0,0,1]=4 24904 B13R1.90 CCc1ccccc1OCC(=O)[O-] 34a_100000210936_100020667443 [0,3,0,0,0,0|1,0,0]=4 24905 B13R1.90 CNc1ccccc1OCC(=O)N 34a_100000033821_100000187820 [0,3,0,0,0,0|1,0,0]=4 24906 B13R1.90 CNc1ccccc1OCC(=O)[O-] 34a_100000033821_100020667443 [0,3,0,0,0,0|1,0,0]=4 24907 B13R1.90 COc1ccccc1OCC(=O)C 1458a_100000182946_200000210301 [0,3,0,0,0,0|0,0,1]=4 24908 B13R1.90 COc1ccccc1OCC(=O)N 34a_100000210385_100000187820 [0,3,0,0,0,0|1,0,0]=4 24909 B13R1.90 COc1ccccc1OCC(=O)N 7a_100000162348_200000210301 [0,3,0,0,0,0|1,0,0]=4 24910 B13R1.90 COc1ccccc1OCC(=O)[13CH3] 1458a_100000182946_200025704644 [0,3,0,0,0,0|0,0,1]=4 24911 B13R1.90 COc1ccccc1OCC(=O)[O-] 34a_100000210385_100020667443 [0,3,0,0,0,0|1,0,0]=4 24912 B13R1.90 CSc1ccccc1OCC(=O)N 34a_100011216402_100000187820 [0,3,0,0,0,0|1,0,0]=4 24913 B13R1.90 CSc1ccccc1OCC(=O)N 62a_200000148491_200000210301 [0,3,0,0,0,0|1,0,0]=4 24914 B13R1.90 CSc1ccccc1OCC(=O)[O-] 34a_100011216402_100020667443 [0,3,0,0,0,0|1,0,0]=4 24915 B13R1.90 N#Cc1ccccc1OCC(=O)N 34a_100000211048_100000187820 [0,3,0,0,0,0|1,0,0]=4 24916 B13R1.90 N#Cc1ccccc1OCC(=O)N 7a_100000211048_100000187820 [0,3,0,0,0,0|1,0,0]=4 24917 B13R1.90 N#Cc1ccccc1OCC(=O)[O-] 34a_100000211048_100020667443 [0,3,0,0,0,0|1,0,0]=4 24918 B13R1.90 NC(=O)COc1ccccc1CO 34a_100011216872_100000187820 [0,3,0,0,0,0|1,0,0]=4 24919 B13R1.90 NCc1ccccc1OCC(=O)N 34a_100000185550_100000187820 [0,3,0,0,0,0|1,0,0]=4 24920 B13R1.90 NCc1ccccc1OCC(=O)[O-] 34a_100000185550_100020667443 [0,3,0,0,0,0|1,0,0]=4 24921 B13R1.90 O=C([O-])COc1ccccc1CO 34a_100011216872_100020667443 [0,3,0,0,0,0|1,0,0]=4 24922 B13R1.90 [13CH3]C(=O)COc1ccccc1C#N 1458a_100000182527_200025704644 [0,3,0,0,0,0|0,0,1]=4 24923 B13R1.90 [13CH3]C(=O)COc1ccccc1CO 1458a_200011894254_200025704644 [0,3,0,0,0,0|0,0,1]=4 24924 B13R1.90 [13CH3]Oc1ccccc1OCC(=O)N 7a_100000162348_200025704644 [0,3,0,0,0,0|1,0,0]=4 24925 B13R1.90 [13CH3]Sc1ccccc1OCC(=O)N 62a_200000148491_200025704644 [0,3,0,0,0,0|1,0,0]=4 24926 B13R1.91 C=CC(C)Sc1ccccc1C#N 62a_100011215867_100000188569 [0,3,0,0,0,0|0,1,0]=4 24927 B13R1.91 C=CC(C)Sc1ccccc1C=O 62a_100011215867_100000210073 [0,3,0,0,0,0|0,1,0]=4 24928 B13R1.91 C=CC(C)Sc1ccccc1CC 62a_100011215867_100011215823 [0,3,0,0,0,0|0,1,0]=4 24929 B13R1.91 C=CC(C)Sc1ccccc1CN 62a_100011215867_100000689332 [0,3,0,0,0,0|0,1,0]=4 24930 B13R1.91 C=CC(C)Sc1ccccc1CO 62a_100011215867_100000187465 [0,3,0,0,0,0|0,1,0]=4 24931 B13R1.91 C=CC(C)Sc1ccccc1NC 62a_100011215867_100020606079 [0,3,0,0,0,0|0,1,0]=4 24932 B13R1.91 C=CC(C)Sc1ccccc1NN 62a_100011215867_100000241748 [0,3,0,0,0,0|0,1,0]=4 24933 B13R1.91 C=CC(C)Sc1ccccc1OC 62a_100011215867_100000210334 [0,3,0,0,0,0|0,1,0]=4 24934 B13R1.91 C=CC(C)Sc1ccccc1SC 62a_100011215867_100011217816 [0,3,0,0,0,0|0,1,0]=4 24935 B13R1.91 C=Cc1ccccc1SC(C)C=C 62a_100011215867_100011218376 [0,3,0,0,0,0|0,1,0]=4 24936 B13R1.485 C/C=C/c1ccccc1OCC=O 34a_200000189419_200009817547 [0,3,0,0,0,0|1,0,0]=4 24937 B13R1.485 C/C=C/c1ccccc1OCC=O 7a_200000189419_200015260668 [0,3,0,0,0,0|1,0,0]=4 24938 B13R1.485 C=CCNc1ccccc1CC=C 2230a_200138433279_100000210623 [0,3,0,0,0,0|1,0,0]=4 24939 B13R1.485 C=CCNc1ccccc1CC=C 34a_200138433279_100015514636 [0,3,0,0,0,0|1,0,0]=4 24940 B13R1.485 C=CCNc1ccccc1CCC 2230a_100000737634_100000210623 [0,3,0,0,0,0|1,0,0]=4 24941 B13R1.485 C=CCNc1ccccc1CCC 34a_100000737634_100015514636 [0,3,0,0,0,0|1,0,0]=4 24942 B13R1.485 C=CCNc1ccccc1CCC 7a_100000737634_100015514636 [0,3,0,0,0,0|1,0,0]=4 24943 B13R1.485 C=CCNc1ccccc1CCO 2230a_100011215289_100000210623 [0,3,0,0,0,0|1,0,0]=4 24944 B13R1.485 C=CCNc1ccccc1CCO 34a_100011215289_100015514636 [0,3,0,0,0,0|1,0,0]=4 24945 B13R1.485 C=CCNc1ccccc1OCC 34a_100000211218_100015514636 [0,3,0,0,0,0|1,0,0]=4 24946 B13R1.485 C=CCNc1ccccc1SCC 34a_100011223125_100015514636 [0,3,0,0,0,0|1,0,0]=4 24947 B13R1.485 C=CCOc1ccccc1/C=C/C 34a_200000189419_100015514636 [0,3,0,0,0,0|0,0,0]=3 24948 B13R1.485 C=CCOc1ccccc1/C=C/C 7a_200000189419_100015514636 [0,3,0,0,0,0|0,0,0]=3 24949 B13R1.485 C=CCOc1ccccc1CC#N 34a_100000043107_100015514636 [0,3,0,0,0,0|0,0,0]=3 24950 B13R1.485 C=CCOc1ccccc1CC#N 7a_100000043107_100015514636 [0,3,0,0,0,0|0,0,0]=3 24951 B13R1.485 C=CCOc1ccccc1CC=C 34a_100000211836_100015514636 [0,3,0,0,0,0|0,0,0]=3 24952 B13R1.485 C=CCOc1ccccc1CC=C 7a_100000211836_100015514636 [0,3,0,0,0,0|0,0,0]=3 24953 B13R1.485 C=CCOc1ccccc1CCBr 34a_100000722297_100015514636 [0,3,0,0,0,0|0,0,0]=3 24954 B13R1.485 C=CCOc1ccccc1CCBr 7a_100000722297_100015514636 [0,3,0,0,0,0|0,0,0]=3 24955 B13R1.485 C=CCOc1ccccc1CCC 34a_100011217252_100015514636 [0,3,0,0,0,0|0,0,0]=3 24956 B13R1.485 C=CCOc1ccccc1CCC 7a_100011217252_100015514636 [0,3,0,0,0,0|0,0,0]=3 24957 B13R1.485 C=CCOc1ccccc1CCN 34a_100011207237_100015514636 [0,3,0,0,0,0|0,0,0]=3 24958 B13R1.485 C=CCOc1ccccc1CCO 34a_100000719421_100015514636 [0,3,0,0,0,0|0,0,0]=3 24959 B13R1.485 C=CCOc1ccccc1CCO 7a_100000719421_100015514636 [0,3,0,0,0,0|0,0,0]=3 24960 B13R1.485 C=CCOc1ccccc1CNC 207a_100102657272_100000172050 [0,3,0,0,0,0|0,0,0]=3 24961 B13R1.485 C=CCOc1ccccc1CNC 270004a_106832991635_100000172050 [0,3,0,0,0,0|0,0,0]=3 24962 B13R1.485 C=CCOc1ccccc1CNC 34a_100015189988_100015514636 [0,3,0,0,0,0|0,0,0]=3 24963 B13R1.485 C=CCOc1ccccc1COC 34a_100000246290_200000210301 [0,3,0,0,0,0|0,0,0]=3 24964 B13R1.485 C=CCOc1ccccc1COC 34a_100011488565_100015514636 [0,3,0,0,0,0|0,0,0]=3 24965 B13R1.485 C=CCOc1ccccc1COC 7a_100000246290_200000210301 [0,3,0,0,0,0|0,0,0]=3 24966 B13R1.485 C=CCOc1ccccc1COC 7a_100011488565_100015514636 [0,3,0,0,0,0|0,0,0]=3 24967 B13R1.485 C=CCOc1ccccc1CO[13CH3] 34a_100000246290_200025704644 [0,3,0,0,0,0|0,0,0]=3 24968 B13R1.485 C=CCOc1ccccc1CO[13CH3] 7a_100000246290_200025704644 [0,3,0,0,0,0|0,0,0]=3 24969 B13R1.485 C=CCOc1ccccc1NCC 34a_103624766699_100015514636 [0,3,0,0,0,0|0,0,0]=3 24970 B13R1.485 C=CCOc1ccccc1NCC 7a_103624766699_100015514636 [0,3,0,0,0,0|0,0,0]=3 24971 B13R1.485 C=CCOc1ccccc1OCC 34a_100000211404_100015514636 [0,3,0,0,0,0|0,0,0]=3 24972 B13R1.485 C=CCOc1ccccc1OCC 34a_200011262142_100000210202 [0,3,0,0,0,0|0,0,0]=3 24973 B13R1.485 C=CCOc1ccccc1OCC 7a_100000211404_100015514636 [0,3,0,0,0,0|0,0,0]=3 24974 B13R1.485 C=CCOc1ccccc1OCC 7a_200011262142_100000210202 [0,3,0,0,0,0|0,0,0]=3 24975 B13R1.485 C=CCOc1ccccc1OCF 34a_200011262142_100015361967 [0,3,0,0,0,0|0,0,0]=3 24976 B13R1.485 C=CCOc1ccccc1OCF 7a_200011262142_100015361967 [0,3,0,0,0,0|0,0,0]=3 24977 B13R1.485 C=CCOc1cccnc1OCC 34a_100011998697_100015514636 [0,3,0,0,0,0|1,0,0]=4 24978 B13R1.485 C=CCSc1ccccc1CC#N 62a_100000033512_100000210623 [0,3,0,0,0,0|0,1,0]=4 24979 B13R1.485 C=CCSc1ccccc1CC#N 62a_100000210623_100000033512 [0,3,0,0,0,0|0,1,0]=4 24980 B13R1.485 C=CCSc1ccccc1CC=C 62a_100000210623_100009828059 [0,3,0,0,0,0|0,1,0]=4 24981 B13R1.485 C=CCSc1ccccc1CC=C 62a_100009828059_100000210623 [0,3,0,0,0,0|0,1,0]=4 24982 B13R1.485 C=CCSc1ccccc1CCN 62a_100000210623_100000747383 [0,3,0,0,0,0|0,1,0]=4 24983 B13R1.485 C=CCSc1ccccc1CCN 62a_100000747383_100000210623 [0,3,0,0,0,0|0,1,0]=4 24984 B13R1.485 C=CCSc1ccccc1CCO 62a_100000210623_100000731337 [0,3,0,0,0,0|0,1,0]=4 24985 B13R1.485 C=CCSc1ccccc1CCO 62a_100000731337_100000210623 [0,3,0,0,0,0|0,1,0]=4 24986 B13R1.485 C=CCSc1ccccc1CNC 62a_100000184654_100000210623 [0,3,0,0,0,0|0,1,0]=4 24987 B13R1.485 C=CCSc1ccccc1CNC 62a_100000210623_100000184654 [0,3,0,0,0,0|0,1,0]=4 24988 B13R1.485 C=CCSc1ccccc1CNN 62a_100000210623_200016993956 [0,3,0,0,0,0|0,1,0]=4 24989 B13R1.485 C=CCSc1ccccc1CNN 62a_200016993956_100000210623 [0,3,0,0,0,0|0,1,0]=4 24990 B13R1.485 C=CCSc1ccccc1COC 62a_100000210623_100011493684 [0,3,0,0,0,0|0,1,0]=4 24991 B13R1.485 C=CCSc1ccccc1COC 62a_100011493684_100000210623 [0,3,0,0,0,0|0,1,0]=4 24992 B13R1.485 C=CCSc1ccccc1CSC 62a_100000148299_100000210623 [0,3,0,0,0,0|0,1,0]=4 24993 B13R1.485 C=CCSc1ccccc1CSC 62a_100000210623_100000148299 [0,3,0,0,0,0|0,1,0]=4 24994 B13R1.485 C=CCSc1ccccc1N=[N+]=[N-] 62a_100000210623_100000762926 [0,3,0,0,0,0|0,1,0]=4 24995 B13R1.485 C=CCSc1ccccc1NC#N 62a_100000210623_100011685340 [0,3,0,0,0,0|0,1,0]=4 24996 B13R1.485 C=CCSc1ccccc1NC=O 62a_100000210623_200020615051 [0,3,0,0,0,0|0,1,0]=4 24997 B13R1.485 C=CCSc1ccccc1NC=O 62a_200020615051_100000210623 [0,3,0,0,0,0|0,1,0]=4 24998 B13R1.485 C=CCSc1ccccc1NCC 2230a_100000198565_100000210202 [0,3,0,0,0,0|0,1,0]=4 24999 B13R1.485 C=CCSc1ccccc1NCC 62a_100000210623_114873767003 [0,3,0,0,0,0|0,1,0]=4 25000 B13R1.485 C=CCSc1ccccc1NCC 62a_114873767003_100000210623 [0,3,0,0,0,0|0,1,0]=4 25001 B13R1.485 C=CCSc1ccccc1NCC 7a_100000198565_100000210202 [0,3,0,0,0,0|0,1,0]=4 25002 B13R1.485 C=CCSc1ccccc1NCF 7a_100000198565_100015361967 [0,3,0,0,0,0|0,1,0]=4 25003 B13R1.485 C=CCSc1ccccc1OCC 62a_100000210623_100000230754 [0,3,0,0,0,0|0,1,0]=4 25004 B13R1.485 C=CCSc1ccccc1OCC 62a_100000230754_100000210623 [0,3,0,0,0,0|0,1,0]=4 25005 B13R1.485 C=CCSc1ccccc1SCC 62a_100000210623_100000230856 [0,3,0,0,0,0|0,1,0]=4 25006 B13R1.485 C=CCSc1ccccc1SCC 62a_100000230856_100000210623 [0,3,0,0,0,0|0,1,0]=4 25007 B13R1.485 C=CCc1ccccc1OCC=O 34a_100000211836_200009817547 [0,3,0,0,0,0|1,0,0]=4 25008 B13R1.485 C=CCc1ccccc1OCC=O 7a_100000211836_200015260668 [0,3,0,0,0,0|1,0,0]=4 25009 B13R1.485 CCCc1ccccc1OCC=O 34a_100011217252_200009817547 [0,3,0,0,0,0|1,0,0]=4 25010 B13R1.485 CCCc1ccccc1OCC=O 7a_100011217252_200015260668 [0,3,0,0,0,0|1,0,0]=4 25011 B13R1.485 CCNc1ccccc1OCC=O 34a_103624766699_200009817547 [0,3,0,0,0,0|1,0,0]=4 25012 B13R1.485 CCNc1ccccc1OCC=O 7a_103624766699_200015260668 [0,3,0,0,0,0|1,0,0]=4 25013 B13R1.485 CCOc1ccccc1OCC=O 34a_100000211404_200009817547 [0,3,0,0,0,0|1,0,0]=4 25014 B13R1.485 CCOc1ccccc1OCC=O 7a_100000211404_200015260668 [0,3,0,0,0,0|1,0,0]=4 25015 B13R1.485 CNCc1ccccc1OCC=O 34a_100015189988_200009817547 [0,3,0,0,0,0|1,0,0]=4 25016 B13R1.485 COCc1ccccc1OCC=O 34a_100011488565_200009817547 [0,3,0,0,0,0|1,0,0]=4 25017 B13R1.485 COCc1ccccc1OCC=O 7a_100011488565_200015260668 [0,3,0,0,0,0|1,0,0]=4 25018 B13R1.485 N#CCc1ccccc1OCC=O 34a_100000043107_200009817547 [0,3,0,0,0,0|1,0,0]=4 25019 B13R1.485 N#CCc1ccccc1OCC=O 7a_100000043107_200015260668 [0,3,0,0,0,0|1,0,0]=4 25020 B13R1.485 NCCc1ccccc1OCC=O 34a_100011207237_200009817547 [0,3,0,0,0,0|1,0,0]=4 25021 B13R1.485 O=CCOc1ccccc1CCBr 34a_100000722297_200009817547 [0,3,0,0,0,0|1,0,0]=4 25022 B13R1.485 O=CCOc1ccccc1CCBr 7a_100000722297_200015260668 [0,3,0,0,0,0|1,0,0]=4 25023 B13R1.485 O=CCOc1ccccc1CCO 34a_100000719421_200009817547 [0,3,0,0,0,0|1,0,0]=4 25024 B13R1.485 O=CCOc1ccccc1CCO 7a_100000719421_200015260668 [0,3,0,0,0,0|1,0,0]=4 25025 B13R1.556 C=CCNc1cc(ccc1C#N)Br 27a_100020586998_100010214477 [0,3,0,0,0,0|1,0,0]=4 25026 B13R1.556 C=CCNc1cc(ccc1C#N)Br 7a_100000699244_100015514636 [0,3,0,0,0,0|1,0,0]=4 25027 B13R1.556 C=CCNc1cc(ccc1C#N)C 34a_100011218341_100015514636 [0,3,0,0,0,0|1,0,0]=4 25028 B13R1.556 C=CCNc1cc(ccc1C#N)C 7a_100011218341_100015514636 [0,3,0,0,0,0|1,0,0]=4 25029 B13R1.556 C=CCNc1cc(ccc1C#N)Cl 27a_100020586998_100012355178 [0,3,0,0,0,0|1,0,0]=4 25030 B13R1.556 C=CCNc1cc(ccc1C#N)Cl 34a_100000211392_100015514636 [0,3,0,0,0,0|1,0,0]=4 25031 B13R1.556 C=CCNc1cc(ccc1C#N)Cl 7a_100000211392_100015514636 [0,3,0,0,0,0|1,0,0]=4 25032 B13R1.556 C=CCNc1cc(ccc1C#N)F 27a_100020586998_100011935285 [0,3,0,0,0,0|1,0,0]=4 25033 B13R1.556 C=CCNc1cc(ccc1C#N)F 34a_100011935279_100015514636 [0,3,0,0,0,0|1,0,0]=4 25034 B13R1.556 C=CCNc1cc(ccc1C#N)F 7a_100011935279_100015514636 [0,3,0,0,0,0|1,0,0]=4 25035 B13R1.556 C=CCNc1cc(ccc1CC)Br 2230a_100012354963_100000210623 [0,3,0,0,0,0|1,0,0]=4 25036 B13R1.556 C=CCNc1cc(ccc1CC)Br 34a_100012354963_100015514636 [0,3,0,0,0,0|1,0,0]=4 25037 B13R1.556 C=CCNc1cc(ccc1CC)Br 7a_100012354963_100015514636 [0,3,0,0,0,0|1,0,0]=4 25038 B13R1.556 C=CCNc1cc(ccc1CC)Cl 2230a_200012281948_100000210623 [0,3,0,0,0,0|1,0,0]=4 25039 B13R1.556 C=CCNc1cc(ccc1CC)Cl 34a_200012281948_100015514636 [0,3,0,0,0,0|1,0,0]=4 25040 B13R1.556 C=CCNc1cc(ccc1CC)Cl 7a_200012281948_100015514636 [0,3,0,0,0,0|1,0,0]=4 25041 B13R1.556 C=CCNc1cc(ccc1CO)Br 34a_100000718831_100015514636 [0,3,0,0,0,0|1,0,0]=4 25042 B13R1.556 C=CCNc1cc(ccc1CO)C 34a_100000087799_100015514636 [0,3,0,0,0,0|1,0,0]=4 25043 B13R1.556 C=CCNc1cc(ccc1CO)Cl 34a_100000238622_100015514636 [0,3,0,0,0,0|1,0,0]=4 25044 B13R1.556 C=CCNc1cc(ccc1CO)F 34a_100011996588_100015514636 [0,3,0,0,0,0|1,0,0]=4 25045 B13R1.556 C=CCNc1cc(ccc1OC)Br 34a_100000743470_100015514636 [0,3,0,0,0,0|1,0,0]=4 25046 B13R1.556 C=CCNc1cc(ccc1OC)C 2230a_100000210980_100000210623 [0,3,0,0,0,0|1,0,0]=4 25047 B13R1.556 C=CCNc1cc(ccc1OC)C 34a_100000210980_100015514636 [0,3,0,0,0,0|1,0,0]=4 25048 B13R1.556 C=CCNc1cc(ccc1OC)Cl 34a_100000182114_100015514636 [0,3,0,0,0,0|1,0,0]=4 25049 B13R1.556 C=CCNc1cc(ccc1OC)F 34a_100000757179_100015514636 [0,3,0,0,0,0|1,0,0]=4 25050 B13R1.556 C=CCNc1cc(ccc1SC)Cl 34a_100000745667_100015514636 [0,3,0,0,0,0|1,0,0]=4 25051 B13R1.556 C=CCOc1cc(ccc1C#N)Br 34a_100011934713_100015514636 [0,3,0,0,0,0|0,0,0]=3 25052 B13R1.556 C=CCOc1cc(ccc1C#N)Br 7a_100011934713_100015514636 [0,3,0,0,0,0|0,0,0]=3 25053 B13R1.556 C=CCOc1cc(ccc1C#N)C 34a_100011640519_100015514636 [0,3,0,0,0,0|0,0,0]=3 25054 B13R1.556 C=CCOc1cc(ccc1C#N)C 7a_100011640519_100015514636 [0,3,0,0,0,0|0,0,0]=3 25055 B13R1.556 C=CCOc1cc(ccc1C#N)Cl 34a_100000688488_100015514636 [0,3,0,0,0,0|0,0,0]=3 25056 B13R1.556 C=CCOc1cc(ccc1C#N)Cl 7a_100000688488_100015514636 [0,3,0,0,0,0|0,0,0]=3 25057 B13R1.556 C=CCOc1cc(ccc1C#N)F 34a_100012185923_100015514636 [0,3,0,0,0,0|0,0,0]=3 25058 B13R1.556 C=CCOc1cc(ccc1C#N)F 7a_100012185923_100015514636 [0,3,0,0,0,0|0,0,0]=3 25059 B13R1.556 C=CCOc1cc(ccc1C#N)N 34a_100000094571_100015514636 [0,3,0,0,0,0|0,0,0]=3 25060 B13R1.556 C=CCOc1cc(ccc1C#N)N 7a_100000094571_100015514636 [0,3,0,0,0,0|0,0,0]=3 25061 B13R1.556 C=CCOc1cc(ccc1CO)Br 34a_100000071718_100015514636 [0,3,0,0,0,0|0,0,0]=3 25062 B13R1.556 C=CCOc1cc(ccc1CO)Br 7a_100000071718_100015514636 [0,3,0,0,0,0|0,0,0]=3 25063 B13R1.556 C=CCOc1cc(ccc1OC)Br 34a_100009816560_100015514636 [0,3,0,0,0,0|0,0,0]=3 25064 B13R1.556 C=CCOc1cc(ccc1OC)Br 7a_100009816560_100015514636 [0,3,0,0,0,0|0,0,0]=3 25065 B13R1.556 C=CCOc1cc(ccc1OC)C 34a_100011216497_100015514636 [0,3,0,0,0,0|0,0,0]=3 25066 B13R1.556 C=CCOc1cc(ccc1OC)C 7a_100011216497_100015514636 [0,3,0,0,0,0|0,0,0]=3 25067 B13R1.556 C=CCOc1cc(ccc1OC)Cl 34a_100000101779_100015514636 [0,3,0,0,0,0|0,0,0]=3 25068 B13R1.556 C=CCOc1cc(ccc1OC)Cl 7a_100000101779_100015514636 [0,3,0,0,0,0|0,0,0]=3 25069 B13R1.556 C=CCOc1cc(ccc1OC)F 34a_100000034962_100015514636 [0,3,0,0,0,0|0,0,0]=3 25070 B13R1.556 C=CCOc1cc(ccc1OC)F 7a_100000034962_100015514636 [0,3,0,0,0,0|0,0,0]=3 25071 B13R1.556 C=CCOc1cc(ccc1OC)N 34a_100000211920_100015514636 [0,3,0,0,0,0|0,0,0]=3 25072 B13R1.556 C=CCOc1cc(cnc1C#N)Br 34a_200013853302_100015514636 [0,3,0,0,0,0|1,0,0]=4 25073 B13R1.556 C=CCOc1cc(cnc1C#N)Br 7a_200013853302_100015514636 [0,3,0,0,0,0|1,0,0]=4 25074 B13R1.556 C=CCOc1cc(cnc1OC)Br 34a_100010135713_100015514636 [0,3,0,0,0,0|1,0,0]=4 25075 B13R1.556 C=CCOc1cc(ncc1OC)Br 34a_100010264082_100015514636 [0,3,0,0,0,0|1,0,0]=4 25076 B13R1.556 C=CCOc1cc(ncc1OC)Cl 34a_100009849459_100015514636 [0,3,0,0,0,0|1,0,0]=4 25077 B13R1.556 C=CCSc1cc(ccc1C#N)Br 62a_100000210623_100010214477 [0,3,0,0,0,0|0,1,0]=4 25078 B13R1.556 C=CCSc1cc(ccc1C#N)C 62a_100000210623_100000693804 [0,3,0,0,0,0|0,1,0]=4 25079 B13R1.556 C=CCSc1cc(ccc1C#N)Cl 62a_100000210623_100012355178 [0,3,0,0,0,0|0,1,0]=4 25080 B13R1.556 C=CCSc1cc(ccc1C#N)F 62a_100000210623_100011935285 [0,3,0,0,0,0|0,1,0]=4 25081 B13R1.556 C=CCSc1cc(ccc1C#N)N 62a_100000210623_100000689153 [0,3,0,0,0,0|0,1,0]=4 25082 B13R1.556 C=CCSc1cc(ccc1C#N)O 62a_100000210623_100012184851 [0,3,0,0,0,0|0,1,0]=4 25083 B13R1.556 C=CCSc1cc(ccc1C=C)F 62a_100000210623_100012354420 [0,3,0,0,0,0|0,1,0]=4 25084 B13R1.556 C=CCSc1cc(ccc1C=C)F 62a_100012354420_100000210623 [0,3,0,0,0,0|0,1,0]=4 25085 B13R1.556 C=CCSc1cc(ccc1C=O)Br 62a_100000210623_100010146562 [0,3,0,0,0,0|0,1,0]=4 25086 B13R1.556 C=CCSc1cc(ccc1C=O)Br 62a_100010146562_100000210623 [0,3,0,0,0,0|0,1,0]=4 25087 B13R1.556 C=CCSc1cc(ccc1C=O)C 62a_100000210623_100011935181 [0,3,0,0,0,0|0,1,0]=4 25088 B13R1.556 C=CCSc1cc(ccc1C=O)C 62a_100011935181_100000210623 [0,3,0,0,0,0|0,1,0]=4 25089 B13R1.556 C=CCSc1cc(ccc1C=O)F 62a_100000210623_100000752949 [0,3,0,0,0,0|0,1,0]=4 25090 B13R1.556 C=CCSc1cc(ccc1C=O)F 62a_100000752949_100000210623 [0,3,0,0,0,0|0,1,0]=4 25091 B13R1.556 C=CCSc1cc(ccc1C=O)O 62a_100000210623_100011236494 [0,3,0,0,0,0|0,1,0]=4 25092 B13R1.556 C=CCSc1cc(ccc1C=O)O 62a_100011236494_100000210623 [0,3,0,0,0,0|0,1,0]=4 25093 B13R1.556 C=CCSc1cc(ccc1CN)F 62a_100000210623_100000708791 [0,3,0,0,0,0|0,1,0]=4 25094 B13R1.556 C=CCSc1cc(ccc1CN)F 62a_100000708791_100000210623 [0,3,0,0,0,0|0,1,0]=4 25095 B13R1.556 C=CCSc1cc(ccc1CO)Br 62a_100000210623_100010146605 [0,3,0,0,0,0|0,1,0]=4 25096 B13R1.556 C=CCSc1cc(ccc1CO)Br 62a_100010146605_100000210623 [0,3,0,0,0,0|0,1,0]=4 25097 B13R1.556 C=CCSc1cc(ccc1CO)Cl 62a_100000210623_100000722340 [0,3,0,0,0,0|0,1,0]=4 25098 B13R1.556 C=CCSc1cc(ccc1CO)Cl 62a_100000722340_100000210623 [0,3,0,0,0,0|0,1,0]=4 25099 B13R1.556 C=CCSc1cc(ccc1CO)F 62a_100000210623_100000744086 [0,3,0,0,0,0|0,1,0]=4 25100 B13R1.556 C=CCSc1cc(ccc1CO)F 62a_100000744086_100000210623 [0,3,0,0,0,0|0,1,0]=4 25101 B13R1.556 C=CCSc1cc(ccc1CO)O 62a_100000210623_100010146404 [0,3,0,0,0,0|0,1,0]=4 25102 B13R1.556 C=CCSc1cc(ccc1CO)O 62a_100010146404_100000210623 [0,3,0,0,0,0|0,1,0]=4 25103 B13R1.556 C=CCSc1cc(ccc1NC)C 62a_100000210623_100000221369 [0,3,0,0,0,0|0,1,0]=4 25104 B13R1.556 C=CCSc1cc(ccc1NC)C 62a_100000221369_100000210623 [0,3,0,0,0,0|0,1,0]=4 25105 B13R1.556 C=CCSc1cc(ccc1NC)F 62a_100000210623_100011246292 [0,3,0,0,0,0|0,1,0]=4 25106 B13R1.556 C=CCSc1cc(ccc1NC)F 62a_100011246292_100000210623 [0,3,0,0,0,0|0,1,0]=4 25107 B13R1.556 C=CCSc1cc(ccc1NN)C 62a_100000210623_100016996181 [0,3,0,0,0,0|0,1,0]=4 25108 B13R1.556 C=CCSc1cc(ccc1NN)C 62a_100016996181_100000210623 [0,3,0,0,0,0|0,1,0]=4 25109 B13R1.556 C=CCSc1cc(ccc1OC)Br 62a_100000210623_100012351588 [0,3,0,0,0,0|0,1,0]=4 25110 B13R1.556 C=CCSc1cc(ccc1OC)Br 62a_100012351588_100000210623 [0,3,0,0,0,0|0,1,0]=4 25111 B13R1.556 C=CCSc1cc(ccc1OC)C 62a_100000186399_100000210623 [0,3,0,0,0,0|0,1,0]=4 25112 B13R1.556 C=CCSc1cc(ccc1OC)C 62a_100000210623_100000186399 [0,3,0,0,0,0|0,1,0]=4 25113 B13R1.556 C=CCSc1cc(ccc1OC)Cl 62a_100000210623_100011215930 [0,3,0,0,0,0|0,1,0]=4 25114 B13R1.556 C=CCSc1cc(ccc1OC)Cl 62a_100011215930_100000210623 [0,3,0,0,0,0|0,1,0]=4 25115 B13R1.556 C=CCSc1cc(ccc1OC)F 62a_100000171694_100000210623 [0,3,0,0,0,0|0,1,0]=4 25116 B13R1.556 C=CCSc1cc(ccc1OC)F 62a_100000210623_100000171694 [0,3,0,0,0,0|0,1,0]=4 25117 B13R1.556 C=CCSc1cc(ccc1OC)N 62a_100000210623_100011356947 [0,3,0,0,0,0|0,1,0]=4 25118 B13R1.556 C=CCSc1cc(ccc1OC)N 62a_100011356947_100000210623 [0,3,0,0,0,0|0,1,0]=4 25119 B13R1.556 C=CCSc1cc(ccc1OC)O 62a_100000210623_100010234764 [0,3,0,0,0,0|0,1,0]=4 25120 B13R1.556 C=CCSc1cc(ccc1OC)O 62a_100010234764_100000210623 [0,3,0,0,0,0|0,1,0]=4 25121 B13R1.556 C=CCSc1cc(ccc1SC)C 62a_100000210623_200010201864 [0,3,0,0,0,0|0,1,0]=4 25122 B13R1.556 C=CCSc1cc(ccc1SC)C 62a_200010201864_100000210623 [0,3,0,0,0,0|0,1,0]=4 25123 B13R1.556 C=CCSc1cc(ccc1SC)F 62a_100000210623_100009817003 [0,3,0,0,0,0|0,1,0]=4 25124 B13R1.556 C=CCSc1cc(ccc1SC)F 62a_100009817003_100000210623 [0,3,0,0,0,0|0,1,0]=4 25125 B13R1.556 COc1ccc(cc1OCC=O)Br 34a_100009816560_200009817547 [0,3,0,0,0,0|1,0,0]=4 25126 B13R1.556 COc1ccc(cc1OCC=O)Br 7a_100009816560_200015260668 [0,3,0,0,0,0|1,0,0]=4 25127 B13R1.556 COc1ccc(cc1OCC=O)C 34a_100011216497_200009817547 [0,3,0,0,0,0|1,0,0]=4 25128 B13R1.556 COc1ccc(cc1OCC=O)C 7a_100011216497_200015260668 [0,3,0,0,0,0|1,0,0]=4 25129 B13R1.556 COc1ccc(cc1OCC=O)Cl 34a_100000101779_200009817547 [0,3,0,0,0,0|1,0,0]=4 25130 B13R1.556 COc1ccc(cc1OCC=O)Cl 7a_100000101779_200015260668 [0,3,0,0,0,0|1,0,0]=4 25131 B13R1.556 COc1ccc(cc1OCC=O)F 34a_100000034962_200009817547 [0,3,0,0,0,0|1,0,0]=4 25132 B13R1.556 COc1ccc(cc1OCC=O)F 7a_100000034962_200015260668 [0,3,0,0,0,0|1,0,0]=4 25133 B13R1.556 COc1ccc(cc1OCC=O)N 34a_100000211920_200009817547 [0,3,0,0,0,0|1,0,0]=4 25134 B13R1.556 Cc1ccc(c(c1)OCC=O)C#N 34a_100011640519_200009817547 [0,3,0,0,0,0|1,0,0]=4 25135 B13R1.556 Cc1ccc(c(c1)OCC=O)C#N 7a_100011640519_200015260668 [0,3,0,0,0,0|1,0,0]=4 25136 B13R1.556 N#Cc1ccc(cc1OCC=O)Br 34a_100011934713_200009817547 [0,3,0,0,0,0|1,0,0]=4 25137 B13R1.556 N#Cc1ccc(cc1OCC=O)Br 7a_100011934713_200015260668 [0,3,0,0,0,0|1,0,0]=4 25138 B13R1.556 N#Cc1ccc(cc1OCC=O)Cl 34a_100000688488_200009817547 [0,3,0,0,0,0|1,0,0]=4 25139 B13R1.556 N#Cc1ccc(cc1OCC=O)Cl 7a_100000688488_200015260668 [0,3,0,0,0,0|1,0,0]=4 25140 B13R1.556 N#Cc1ccc(cc1OCC=O)F 34a_100012185923_200009817547 [0,3,0,0,0,0|1,0,0]=4 25141 B13R1.556 N#Cc1ccc(cc1OCC=O)F 7a_100012185923_200015260668 [0,3,0,0,0,0|1,0,0]=4 25142 B13R1.556 N#Cc1ccc(cc1OCC=O)N 34a_100000094571_200009817547 [0,3,0,0,0,0|1,0,0]=4 25143 B13R1.556 N#Cc1ccc(cc1OCC=O)N 7a_100000094571_200015260668 [0,3,0,0,0,0|1,0,0]=4 25144 B13R1.556 O=CCOc1cc(ccc1CO)Br 34a_100000071718_200009817547 [0,3,0,0,0,0|1,0,0]=4 25145 B13R1.556 O=CCOc1cc(ccc1CO)Br 7a_100000071718_200015260668 [0,3,0,0,0,0|1,0,0]=4 25146 B13R1.572 C=CCNc1ccccc1C(=C)C 34a_100000037685_100015514636 [0,3,0,0,0,0|1,0,0]=4 25147 B13R1.572 C=CCNc1ccccc1C(=O)N 34a_100000185089_100015514636 [0,3,0,0,0,0|1,0,0]=4 25148 B13R1.572 C=CCNc1ccccc1C(C)C 2230a_100000210643_100000210623 [0,3,0,0,0,0|1,0,0]=4 25149 B13R1.572 C=CCNc1ccccc1C(C)C 34a_100000210643_100015514636 [0,3,0,0,0,0|1,0,0]=4 25150 B13R1.572 C=CCNc1ccccc1C(C)C 7a_100000210643_100015514636 [0,3,0,0,0,0|1,0,0]=4 25151 B13R1.572 C=CCNc1ccccc1C(C)O 2230a_100011405641_100000210623 [0,3,0,0,0,0|1,0,0]=4 25152 B13R1.572 C=CCNc1ccccc1C(F)F 2230a_100000734540_100000210623 [0,3,0,0,0,0|1,0,0]=4 25153 B13R1.572 C=CCNc1ccccc1C(F)F 34a_100000734540_100015514636 [0,3,0,0,0,0|1,0,0]=4 25154 B13R1.572 C=CCNc1ccccc1C(F)F 7a_100000734540_100015514636 [0,3,0,0,0,0|1,0,0]=4 25155 B13R1.572 C=CCOc1ccccc1C(=O)C 1458a_100000189412_200000210301 [0,3,0,0,0,0|0,0,0]=3 25156 B13R1.572 C=CCOc1ccccc1C(=O)N 34a_100000192804_100015514636 [0,3,0,0,0,0|0,0,0]=3 25157 B13R1.572 C=CCOc1ccccc1C(=O)N 7a_100000192804_100015514636 [0,3,0,0,0,0|0,0,0]=3 25158 B13R1.572 C=CCOc1ccccc1C(=O)[13CH3] 1458a_100000189412_200025704644 [0,3,0,0,0,0|0,0,0]=3 25159 B13R1.572 C=CCOc1ccccc1C(=O)[O-] 7a_100015234032_100015514636 [0,3,0,0,0,0|0,0,0]=3 25160 B13R1.572 C=CCOc1ccccc1C(=S)N 7a_100000745089_100015514636 [0,3,0,0,0,0|0,0,0]=3 25161 B13R1.572 C=CCOc1ccccc1C(C)C 34a_100000211617_100015514636 [0,3,0,0,0,0|0,0,0]=3 25162 B13R1.572 C=CCOc1ccccc1C(C)C 7a_100000211617_100015514636 [0,3,0,0,0,0|0,0,0]=3 25163 B13R1.572 C=CCOc1ccccc1C(C)O 34a_200011232679_100015514636 [0,3,0,0,0,0|0,0,0]=3 25164 B13R1.572 C=CCOc1ccccc1C(C)O 7a_200011232679_100015514636 [0,3,0,0,0,0|0,0,0]=3 25165 B13R1.572 C=CCOc1ccccc1[C@@H](C)N 34a_100025703389_100015514636 [0,3,0,0,0,0|0,0,0]=3 25166 B13R1.572 C=CCOc1ccccc1[N+](=O)[O-] 34a_100000186319_100015514636 [0,3,0,0,0,0|0,0,0]=3 25167 B13R1.572 C=CCOc1ccccc1[N+](=O)[O-] 7a_100000186319_100015514636 [0,3,0,0,0,0|0,0,0]=3 25168 B13R1.572 C=CCOc1cccnc1C(=O)C 34a_100000087166_100015514636 [0,3,0,0,0,0|1,0,0]=4 25169 B13R1.572 C=CCOc1cccnc1C(=O)C 7a_100000087166_100015514636 [0,3,0,0,0,0|1,0,0]=4 25170 B13R1.572 C=CCOc1cccnc1C(=O)N 34a_200011215183_100015514636 [0,3,0,0,0,0|1,0,0]=4 25171 B13R1.572 C=CCOc1cccnc1C(=O)N 7a_200011215183_100015514636 [0,3,0,0,0,0|1,0,0]=4 25172 B13R1.572 C=CCOc1cccnc1C(C)C 34a_100012183336_100015514636 [0,3,0,0,0,0|1,0,0]=4 25173 B13R1.572 C=CCOc1cccnc1C(C)C 7a_100012183336_100015514636 [0,3,0,0,0,0|1,0,0]=4 25174 B13R1.572 C=CCOc1cccnc1[N+](=O)[O-] 7a_100000183951_100015514636 [0,3,0,0,0,0|1,0,0]=4 25175 B13R1.572 C=CCOc1ccncc1C(=O)N 34a_200011998761_100015514636 [0,3,0,0,0,0|1,0,0]=4 25176 B13R1.572 C=CCOc1cnccc1C(=O)C 7a_100009872882_100015514636 [0,3,0,0,0,0|1,0,0]=4 25177 B13R1.572 C=CCOc1cnccc1C(=O)N 7a_100012022987_100015514636 [0,3,0,0,0,0|1,0,0]=4 25178 B13R1.572 C=CCOc1cnccc1C(F)F 34a_100010834524_100015514636 [0,3,0,0,0,0|1,0,0]=4 25179 B13R1.572 C=CCOc1cnccc1C(F)F 7a_100010834524_100015514636 [0,3,0,0,0,0|1,0,0]=4 25180 B13R1.572 C=CCSc1ccccc1B(O)O 62a_100000210623_100000693059 [0,3,0,0,0,0|0,1,0]=4 25181 B13R1.572 C=CCSc1ccccc1B(O)O 62a_100000693059_100000210623 [0,3,0,0,0,0|0,1,0]=4 25182 B13R1.572 C=CCSc1ccccc1C(=O)C 62a_100000751169_100000210623 [0,3,0,0,0,0|0,1,0]=4 25183 B13R1.572 C=CCSc1ccccc1C(=O)N 62a_100000162227_100000210623 [0,3,0,0,0,0|0,1,0]=4 25184 B13R1.572 C=CCSc1ccccc1C(=O)N 62a_100000210623_100000162227 [0,3,0,0,0,0|0,1,0]=4 25185 B13R1.572 C=CCSc1ccccc1C(=O)O 62a_100000210623_100000734275 [0,3,0,0,0,0|0,1,0]=4 25186 B13R1.572 C=CCSc1ccccc1C(=O)O 62a_202125556159_100000210623 [0,3,0,0,0,0|0,1,0]=4 25187 B13R1.572 C=CCSc1ccccc1C(C)C 62a_100000210623_100000708600 [0,3,0,0,0,0|0,1,0]=4 25188 B13R1.572 C=CCSc1ccccc1C(C)C 62a_100000708600_100000210623 [0,3,0,0,0,0|0,1,0]=4 25189 B13R1.572 C=CCSc1ccccc1C(C)N 62a_100000181357_100000210623 [0,3,0,0,0,0|0,1,0]=4 25190 B13R1.572 C=CCSc1ccccc1C(C)N 62a_100000210623_100000181357 [0,3,0,0,0,0|0,1,0]=4 25191 B13R1.572 C=CCSc1ccccc1C(C)O 62a_100000210623_100000702211 [0,3,0,0,0,0|0,1,0]=4 25192 B13R1.572 C=CCSc1ccccc1C(C)O 62a_100000702211_100000210623 [0,3,0,0,0,0|0,1,0]=4 25193 B13R1.572 C=CCSc1ccccc1C(F)F 62a_100000210623_100010169824 [0,3,0,0,0,0|0,1,0]=4 25194 B13R1.572 C=CCSc1ccccc1C(F)F 62a_100010169824_100000210623 [0,3,0,0,0,0|0,1,0]=4 25195 B13R1.572 C=CCSc1ccccc1N(C)C 62a_100000210623_100011290883 [0,3,0,0,0,0|0,1,0]=4 25196 B13R1.572 C=CCSc1ccccc1N(C)C 62a_100011290883_100000210623 [0,3,0,0,0,0|0,1,0]=4 25197 B13R1.572 C=CCSc1ccccc1S(=O)C 62a_100000734199_100000210623 [0,3,0,0,0,0|0,1,0]=4 25198 B13R1.572 CC(C)c1ccccc1OCC=O 34a_100000211617_200009817547 [0,3,0,0,0,0|1,0,0]=4 25199 B13R1.572 CC(C)c1ccccc1OCC=O 7a_100000211617_200015260668 [0,3,0,0,0,0|1,0,0]=4 25200 B13R1.572 CC(O)c1ccccc1OCC=O 34a_200011232679_200009817547 [0,3,0,0,0,0|1,0,0]=4 25201 B13R1.572 CC(O)c1ccccc1OCC=O 7a_200011232679_200015260668 [0,3,0,0,0,0|1,0,0]=4 25202 B13R1.572 C[C@@H](N)c1ccccc1OCC=O 34a_100025703389_200009817547 [0,3,0,0,0,0|1,0,0]=4 25203 B13R1.572 NC(=O)c1ccccc1OCC=O 34a_100000192804_200009817547 [0,3,0,0,0,0|1,0,0]=4 25204 B13R1.572 NC(=O)c1ccccc1OCC=O 7a_100000192804_200015260668 [0,3,0,0,0,0|1,0,0]=4 25205 B13R1.572 NC(=S)c1ccccc1OCC=O 7a_100000745089_200015260668 [0,3,0,0,0,0|1,0,0]=4 25206 B13R1.572 O=CCOc1ccccc1C(=O)[O-] 7a_100015234032_200015260668 [0,3,0,0,0,0|1,0,0]=4 25207 B13R1.572 O=CCOc1ccccc1[N+](=O)[O-] 34a_100000186319_200009817547 [0,3,0,0,0,0|1,0,0]=4 25208 B13R1.572 O=CCOc1ccccc1[N+](=O)[O-] 7a_100000186319_200015260668 [0,3,0,0,0,0|1,0,0]=4 25209 B13R1.1619 C=CCNc1c(cccc1C#N)C 2230a_100011826843_100000210623 [0,3,0,0,0,0|1,0,0]=4 25210 B13R1.1619 C=CCNc1c(cccc1C#N)F 2230a_100011219409_100000210623 [0,3,0,0,0,0|1,0,0]=4 25211 B13R1.1619 C=CCNc1c(cccc1C#N)F 34a_100011219409_100015514636 [0,3,0,0,0,0|1,0,0]=4 25212 B13R1.1619 C=CCNc1c(cccc1CC)C 2230a_100000210048_100000210623 [0,3,0,0,0,0|1,0,0]=4 25213 B13R1.1619 C=CCNc1c(cccc1CC)C 34a_100000210048_100015514636 [0,3,0,0,0,0|1,0,0]=4 25214 B13R1.1619 C=CCNc1c(cccc1CC)C 7a_100000210048_100015514636 [0,3,0,0,0,0|1,0,0]=4 25215 B13R1.1619 C=CCNc1c(cccc1CO)C 34a_100011215590_100015514636 [0,3,0,0,0,0|1,0,0]=4 25216 B13R1.1619 C=CCNc1c(cccc1CO)Cl 34a_100012182729_100015514636 [0,3,0,0,0,0|1,0,0]=4 25217 B13R1.1619 C=CCNc1c(cccc1CO)F 34a_100000692437_100015514636 [0,3,0,0,0,0|1,0,0]=4 25218 B13R1.1619 C=CCNc1c(cccc1OC)Br 34a_100000708083_100015514636 [0,3,0,0,0,0|1,0,0]=4 25219 B13R1.1619 C=CCNc1c(cccc1OC)C 2230a_100000758225_100000210623 [0,3,0,0,0,0|1,0,0]=4 25220 B13R1.1619 C=CCNc1c(cccc1OC)C 34a_100000758225_100015514636 [0,3,0,0,0,0|1,0,0]=4 25221 B13R1.1619 C=CCNc1c(cccc1OC)Cl 34a_100011309317_100015514636 [0,3,0,0,0,0|1,0,0]=4 25222 B13R1.1619 C=CCNc1c(cccc1OC)F 34a_100000686744_100015514636 [0,3,0,0,0,0|1,0,0]=4 25223 B13R1.1619 C=CCNc1c(cccc1OC)O 34a_100012022766_100015514636 [0,3,0,0,0,0|1,0,0]=4 25224 B13R1.1619 C=CCOc1c(cccc1C#N)Br 34a_100009817103_100015514636 [0,3,0,0,0,0|0,0,0]=3 25225 B13R1.1619 C=CCOc1c(cccc1C#N)C 34a_100011659161_100015514636 [0,3,0,0,0,0|0,0,0]=3 25226 B13R1.1619 C=CCOc1c(cccc1C#N)C 7a_100011659161_100015514636 [0,3,0,0,0,0|0,0,0]=3 25227 B13R1.1619 C=CCOc1c(cccc1C#N)Cl 34a_100009866432_100015514636 [0,3,0,0,0,0|0,0,0]=3 25228 B13R1.1619 C=CCOc1c(cccc1C#N)Cl 7a_100009866432_100015514636 [0,3,0,0,0,0|0,0,0]=3 25229 B13R1.1619 C=CCOc1c(cccc1C#N)F 34a_100000117915_100015514636 [0,3,0,0,0,0|0,0,0]=3 25230 B13R1.1619 C=CCOc1c(cccc1C#N)F 7a_100000117915_100015514636 [0,3,0,0,0,0|0,0,0]=3 25231 B13R1.1619 C=CCOc1c(cccc1CC)Br 34a_200010001580_100015514636 [0,3,0,0,0,0|0,0,0]=3 25232 B13R1.1619 C=CCOc1c(cccc1CC)Br 7a_200010001580_100015514636 [0,3,0,0,0,0|0,0,0]=3 25233 B13R1.1619 C=CCOc1c(cccc1CC)C 34a_100000034007_100015514636 [0,3,0,0,0,0|0,0,0]=3 25234 B13R1.1619 C=CCOc1c(cccc1CC)C 7a_100000034007_100015514636 [0,3,0,0,0,0|0,0,0]=3 25235 B13R1.1619 C=CCOc1c(cccc1CN)C 34a_100020639391_100015514636 [0,3,0,0,0,0|0,0,0]=3 25236 B13R1.1619 C=CCOc1c(cccc1CO)F 34a_100011997349_100015514636 [0,3,0,0,0,0|0,0,0]=3 25237 B13R1.1619 C=CCOc1c(cccc1CO)F 7a_100011997349_100015514636 [0,3,0,0,0,0|0,0,0]=3 25238 B13R1.1619 C=CCOc1c(cccc1OC)Br 34a_100000686866_100015514636 [0,3,0,0,0,0|0,0,0]=3 25239 B13R1.1619 C=CCOc1c(cccc1OC)C 34a_100011219253_100015514636 [0,3,0,0,0,0|0,0,0]=3 25240 B13R1.1619 C=CCOc1c(cccc1OC)C 7a_100011219253_100015514636 [0,3,0,0,0,0|0,0,0]=3 25241 B13R1.1619 C=CCOc1c(cccc1OC)Cl 34a_100009851661_100015514636 [0,3,0,0,0,0|0,0,0]=3 25242 B13R1.1619 C=CCOc1c(cccc1OC)Cl 7a_100009851661_100015514636 [0,3,0,0,0,0|0,0,0]=3 25243 B13R1.1619 C=CCOc1c(cccc1OC)F 34a_100000036725_100015514636 [0,3,0,0,0,0|0,0,0]=3 25244 B13R1.1619 C=CCOc1c(cccc1OC)F 7a_100000036725_100015514636 [0,3,0,0,0,0|0,0,0]=3 25245 B13R1.1619 C=CCOc1c(cccc1OC)N 34a_100000123586_100015514636 [0,3,0,0,0,0|0,0,0]=3 25246 B13R1.1619 C=CCOc1c(occc1=O)CC 34a_100000033269_100015514636 [0,3,0,0,0,0|1,0,0]=4 25247 B13R1.1619 C=CCSc1c(cccc1C#N)Br 62a_100000210623_100000703783 [0,3,0,0,0,0|0,1,0]=4 25248 B13R1.1619 C=CCSc1c(cccc1C#N)Br 62a_100000703783_100000210623 [0,3,0,0,0,0|0,1,0]=4 25249 B13R1.1619 C=CCSc1c(cccc1C#N)C 62a_100000210623_100011934862 [0,3,0,0,0,0|0,1,0]=4 25250 B13R1.1619 C=CCSc1c(cccc1C#N)Cl 62a_100000210623_100010134094 [0,3,0,0,0,0|0,1,0]=4 25251 B13R1.1619 C=CCSc1c(cccc1C#N)F 62a_100000210623_100011219237 [0,3,0,0,0,0|0,1,0]=4 25252 B13R1.1619 C=CCSc1c(cccc1C#N)N 62a_100000210623_100009877206 [0,3,0,0,0,0|0,1,0]=4 25253 B13R1.1619 C=CCSc1c(cccc1C#N)O 62a_100000210623_100009818990 [0,3,0,0,0,0|0,1,0]=4 25254 B13R1.1619 C=CCSc1c(cccc1C=O)C 62a_100000210623_100012186367 [0,3,0,0,0,0|0,1,0]=4 25255 B13R1.1619 C=CCSc1c(cccc1C=O)C 62a_100012186367_100000210623 [0,3,0,0,0,0|0,1,0]=4 25256 B13R1.1619 C=CCSc1c(cccc1C=O)F 62a_100000210623_100011934749 [0,3,0,0,0,0|0,1,0]=4 25257 B13R1.1619 C=CCSc1c(cccc1C=O)F 62a_100011934749_100000210623 [0,3,0,0,0,0|0,1,0]=4 25258 B13R1.1619 C=CCSc1c(cccc1C=O)O 62a_100000210623_100009816417 [0,3,0,0,0,0|0,1,0]=4 25259 B13R1.1619 C=CCSc1c(cccc1C=O)O 62a_100009816417_100000210623 [0,3,0,0,0,0|0,1,0]=4 25260 B13R1.1619 C=CCSc1c(cccc1CC)C 62a_100000036235_100000210623 [0,3,0,0,0,0|0,1,0]=4 25261 B13R1.1619 C=CCSc1c(cccc1CC)C 62a_100000210623_100000036235 [0,3,0,0,0,0|0,1,0]=4 25262 B13R1.1619 C=CCSc1c(cccc1CN)F 62a_100000210623_100020638964 [0,3,0,0,0,0|0,1,0]=4 25263 B13R1.1619 C=CCSc1c(cccc1CN)F 62a_100020638964_100000210623 [0,3,0,0,0,0|0,1,0]=4 25264 B13R1.1619 C=CCSc1c(cccc1CO)Br 62a_100000210623_100010146604 [0,3,0,0,0,0|0,1,0]=4 25265 B13R1.1619 C=CCSc1c(cccc1CO)Br 62a_100010146604_100000210623 [0,3,0,0,0,0|0,1,0]=4 25266 B13R1.1619 C=CCSc1c(cccc1CO)C 62a_100000210623_100011659289 [0,3,0,0,0,0|0,1,0]=4 25267 B13R1.1619 C=CCSc1c(cccc1CO)C 62a_100011659289_100000210623 [0,3,0,0,0,0|0,1,0]=4 25268 B13R1.1619 C=CCSc1c(cccc1CO)F 62a_100000210623_100012351117 [0,3,0,0,0,0|0,1,0]=4 25269 B13R1.1619 C=CCSc1c(cccc1CO)F 62a_100012351117_100000210623 [0,3,0,0,0,0|0,1,0]=4 25270 B13R1.1619 C=CCSc1c(cccc1OC)Br 62a_100000210623_100010131421 [0,3,0,0,0,0|0,1,0]=4 25271 B13R1.1619 C=CCSc1c(cccc1OC)Br 62a_100010131421_100000210623 [0,3,0,0,0,0|0,1,0]=4 25272 B13R1.1619 C=CCSc1c(cccc1OC)C 62a_100000210623_100010191535 [0,3,0,0,0,0|0,1,0]=4 25273 B13R1.1619 C=CCSc1c(cccc1OC)C 62a_100010191535_100000210623 [0,3,0,0,0,0|0,1,0]=4 25274 B13R1.1619 C=CCSc1c(cccc1OC)F 62a_100000210623_100000703912 [0,3,0,0,0,0|0,1,0]=4 25275 B13R1.1619 C=CCSc1c(cccc1OC)F 62a_100000703912_100000210623 [0,3,0,0,0,0|0,1,0]=4 25276 B13R1.1619 C=CCSc1c(cccc1OC)N 62a_100000210623_100000703447 [0,3,0,0,0,0|0,1,0]=4 25277 B13R1.1619 C=CCSc1c(cccc1OC)N 62a_100000703447_100000210623 [0,3,0,0,0,0|0,1,0]=4 25278 B13R1.1619 C=CCSc1c(cccc1OC)O 62a_100000210623_100010202623 [0,3,0,0,0,0|0,1,0]=4 25279 B13R1.1619 CCc1cccc(c1OCC=O)Br 34a_200010001580_200009817547 [0,3,0,0,0,0|1,0,0]=4 25280 B13R1.1619 CCc1cccc(c1OCC=O)Br 7a_200010001580_200015260668 [0,3,0,0,0,0|1,0,0]=4 25281 B13R1.1619 CCc1cccc(c1OCC=O)C 34a_100000034007_200009817547 [0,3,0,0,0,0|1,0,0]=4 25282 B13R1.1619 CCc1cccc(c1OCC=O)C 7a_100000034007_200015260668 [0,3,0,0,0,0|1,0,0]=4 25283 B13R1.1619 COc1cccc(c1OCC=O)Br 34a_100000686866_200009817547 [0,3,0,0,0,0|1,0,0]=4 25284 B13R1.1619 COc1cccc(c1OCC=O)C 34a_100011219253_200009817547 [0,3,0,0,0,0|1,0,0]=4 25285 B13R1.1619 COc1cccc(c1OCC=O)C 7a_100011219253_200015260668 [0,3,0,0,0,0|1,0,0]=4 25286 B13R1.1619 COc1cccc(c1OCC=O)Cl 34a_100009851661_200009817547 [0,3,0,0,0,0|1,0,0]=4 25287 B13R1.1619 COc1cccc(c1OCC=O)Cl 7a_100009851661_200015260668 [0,3,0,0,0,0|1,0,0]=4 25288 B13R1.1619 COc1cccc(c1OCC=O)F 34a_100000036725_200009817547 [0,3,0,0,0,0|1,0,0]=4 25289 B13R1.1619 COc1cccc(c1OCC=O)F 7a_100000036725_200015260668 [0,3,0,0,0,0|1,0,0]=4 25290 B13R1.1619 COc1cccc(c1OCC=O)N 34a_100000123586_200009817547 [0,3,0,0,0,0|1,0,0]=4 25291 B13R1.1619 Cc1cccc(c1OCC=O)C#N 34a_100011659161_200009817547 [0,3,0,0,0,0|1,0,0]=4 25292 B13R1.1619 Cc1cccc(c1OCC=O)C#N 7a_100011659161_200015260668 [0,3,0,0,0,0|1,0,0]=4 25293 B13R1.1619 Cc1cccc(c1OCC=O)CN 34a_100020639391_200009817547 [0,3,0,0,0,0|1,0,0]=4 25294 B13R1.1619 N#Cc1cccc(c1OCC=O)Br 34a_100009817103_200009817547 [0,3,0,0,0,0|1,0,0]=4 25295 B13R1.1619 N#Cc1cccc(c1OCC=O)Cl 34a_100009866432_200009817547 [0,3,0,0,0,0|1,0,0]=4 25296 B13R1.1619 N#Cc1cccc(c1OCC=O)Cl 7a_100009866432_200015260668 [0,3,0,0,0,0|1,0,0]=4 25297 B13R1.1619 N#Cc1cccc(c1OCC=O)F 34a_100000117915_200009817547 [0,3,0,0,0,0|1,0,0]=4 25298 B13R1.1619 N#Cc1cccc(c1OCC=O)F 7a_100000117915_200015260668 [0,3,0,0,0,0|1,0,0]=4 25299 B13R1.1619 O=CCOc1c(cccc1CO)F 34a_100011997349_200009817547 [0,3,0,0,0,0|1,0,0]=4 25300 B13R1.1619 O=CCOc1c(cccc1CO)F 7a_100011997349_200015260668 [0,3,0,0,0,0|1,0,0]=4 25301 B13R1.202 CC(=O)C(C)Oc1ccccc1Br 1458a_100000246065_200000210301 [0,3,0,0,0,0|0,0,1]=4 25302 B13R1.202 CC(=O)C(C)Oc1ccccc1Br 7a_100000181306_100000179758 [0,3,0,0,0,0|0,0,1]=4 25303 B13R1.202 CC(=O)C(C)Oc1ccccc1C 1458a_100000189243_200000210301 [0,3,0,0,0,0|0,0,1]=4 25304 B13R1.202 CC(=O)C(C)Oc1ccccc1C 7a_100000210338_100000179758 [0,3,0,0,0,0|0,0,1]=4 25305 B13R1.202 CC(=O)C(C)Oc1ccccc1Cl 1458a_100000191201_200000210301 [0,3,0,0,0,0|0,0,1]=4 25306 B13R1.202 CC(=O)C(C)Oc1ccccc1Cl 7a_100000210172_100000179758 [0,3,0,0,0,0|0,0,1]=4 25307 B13R1.202 CC(=O)C(C)Oc1ccccc1F 1458a_100000191191_200000210301 [0,3,0,0,0,0|0,0,1]=4 25308 B13R1.202 CC(=O)C(C)Oc1ccccc1F 7a_100000210171_100000179758 [0,3,0,0,0,0|0,0,1]=4 25309 B13R1.202 CC(=O)C(C)Oc1ccccc1I 7a_100000739446_100000179758 [0,3,0,0,0,0|0,0,1]=4 25310 B13R1.202 CC(=O)C(C)Oc1ccccc1N 7a_100000185747_100000179758 [0,3,0,0,0,0|0,0,1]=4 25311 B13R1.202 CC(Oc1ccccc1Br)C(=O)N 34a_100000181306_100000702099 [0,3,0,0,0,0|1,0,0]=4 25312 B13R1.202 CC(Oc1ccccc1Br)C(=O)N 7a_100000181306_100000702099 [0,3,0,0,0,0|1,0,0]=4 25313 B13R1.202 CC(Oc1ccccc1Br)C(=O)[13CH3] 1458a_100000246065_200025704644 [0,3,0,0,0,0|0,0,1]=4 25314 B13R1.202 CC(Oc1ccccc1Cl)C(=O)N 34a_100000210172_100000702099 [0,3,0,0,0,0|1,0,0]=4 25315 B13R1.202 CC(Oc1ccccc1Cl)C(=O)N 7a_100000210172_100000702099 [0,3,0,0,0,0|1,0,0]=4 25316 B13R1.202 CC(Oc1ccccc1Cl)C(=O)[13CH3] 1458a_100000191201_200025704644 [0,3,0,0,0,0|0,0,1]=4 25317 B13R1.202 CC(Oc1ccccc1F)C(=O)N 34a_100000210171_100000702099 [0,3,0,0,0,0|1,0,0]=4 25318 B13R1.202 CC(Oc1ccccc1F)C(=O)N 7a_100000210171_100000702099 [0,3,0,0,0,0|1,0,0]=4 25319 B13R1.202 CC(Oc1ccccc1F)C(=O)[13CH3] 1458a_100000191191_200025704644 [0,3,0,0,0,0|0,0,1]=4 25320 B13R1.202 CC(Oc1ccccc1I)C(=O)N 34a_100000739446_100000702099 [0,3,0,0,0,0|1,0,0]=4 25321 B13R1.202 CC(Oc1ccccc1I)C(=O)N 7a_100000739446_100000702099 [0,3,0,0,0,0|1,0,0]=4 25322 B13R1.202 CC(Oc1ccccc1N)C(=O)N 34a_100000185747_100000702099 [0,3,0,0,0,0|1,0,0]=4 25323 B13R1.202 CC(Oc1ccccc1N)C(=O)N 7a_100000185747_100000702099 [0,3,0,0,0,0|1,0,0]=4 25324 B13R1.202 CC(Oc1ccccc1O)C(=O)N 271570a_203496583355_100000148488 [0,3,0,0,0,0|1,0,0]=4 25325 B13R1.202 Cc1ccccc1OC(C)C(=O)N 34a_100000210338_100000702099 [0,3,0,0,0,0|1,0,0]=4 25326 B13R1.202 Cc1ccccc1OC(C)C(=O)N 7a_100000210338_100000702099 [0,3,0,0,0,0|1,0,0]=4 25327 B13R1.202 Cc1ccccc1OC(C)C(=O)[13CH3] 1458a_100000189243_200025704644 [0,3,0,0,0,0|0,0,1]=4 25328 B13R1.202 Cc1ccccc1OC(F)C(=O)N 34a_100000210338_100009813875 [0,3,0,0,0,0|1,0,0]=4 25329 B13R1.202 Cc1ccccc1OC(F)C(=O)N 7a_100000210338_100009813875 [0,3,0,0,0,0|1,0,0]=4 25330 B13R1.202 Cc1ccccc1OC(F)C(=O)[O-] 34a_100000210338_100020610796 [0,3,0,0,0,0|1,0,0]=4 25331 B13R1.202 NC(=O)C(F)Oc1ccccc1Br 34a_100000181306_100009813875 [0,3,0,0,0,0|1,0,0]=4 25332 B13R1.202 NC(=O)C(F)Oc1ccccc1Br 7a_100000181306_100009813875 [0,3,0,0,0,0|1,0,0]=4 25333 B13R1.202 NC(=O)C(F)Oc1ccccc1Cl 34a_100000210172_100009813875 [0,3,0,0,0,0|1,0,0]=4 25334 B13R1.202 NC(=O)C(F)Oc1ccccc1Cl 7a_100000210172_100009813875 [0,3,0,0,0,0|1,0,0]=4 25335 B13R1.202 NC(=O)C(F)Oc1ccccc1F 34a_100000210171_100009813875 [0,3,0,0,0,0|1,0,0]=4 25336 B13R1.202 NC(=O)C(F)Oc1ccccc1F 7a_100000210171_100009813875 [0,3,0,0,0,0|1,0,0]=4 25337 B13R1.202 NC(=O)C(F)Oc1ccccc1I 34a_100000739446_100009813875 [0,3,0,0,0,0|1,0,0]=4 25338 B13R1.202 NC(=O)C(F)Oc1ccccc1I 7a_100000739446_100009813875 [0,3,0,0,0,0|1,0,0]=4 25339 B13R1.202 NC(=O)C(F)Oc1ccccc1N 34a_100000185747_100009813875 [0,3,0,0,0,0|1,0,0]=4 25340 B13R1.202 NC(=O)C(F)Oc1ccccc1N 7a_100000185747_100009813875 [0,3,0,0,0,0|1,0,0]=4 25341 B13R1.202 Nc1ccccc1OC(F)C(=O)[O-] 34a_100000185747_100020610796 [0,3,0,0,0,0|1,0,0]=4 25342 B13R1.202 O=C([O-])C(F)Oc1ccccc1Br 34a_100000181306_100020610796 [0,3,0,0,0,0|1,0,0]=4 25343 B13R1.202 O=C([O-])C(F)Oc1ccccc1Cl 34a_100000210172_100020610796 [0,3,0,0,0,0|1,0,0]=4 25344 B13R1.202 O=C([O-])C(F)Oc1ccccc1F 34a_100000210171_100020610796 [0,3,0,0,0,0|1,0,0]=4 25345 B13R1.202 O=C([O-])C(F)Oc1ccccc1I 34a_100000739446_100020610796 [0,3,0,0,0,0|1,0,0]=4 25346 B13R1.528 C=C(C#N)CNc1ccccc1Br 34a_100000210017_100000694840 [0,3,0,0,0,0|1,0,0]=4 25347 B13R1.528 C=C(C#N)CNc1ccccc1C 34a_100015192222_100000694840 [0,3,0,0,0,0|1,0,0]=4 25348 B13R1.528 C=C(C#N)CNc1ccccc1Cl 34a_100000185783_100000694840 [0,3,0,0,0,0|1,0,0]=4 25349 B13R1.528 C=C(C#N)CNc1ccccc1F 34a_100000210422_100000694840 [0,3,0,0,0,0|1,0,0]=4 25350 B13R1.528 C=C(C#N)CNc1ccccc1I 34a_100000210053_100000694840 [0,3,0,0,0,0|1,0,0]=4 25351 B13R1.528 C=C(C#N)CNc1ccccc1O 34a_100000185747_100000694840 [0,3,0,0,0,0|1,0,0]=4 25352 B13R1.528 C=C(C#N)COc1ccccc1Br 34a_100000181306_100000694840 [0,3,0,0,0,0|0,0,0]=3 25353 B13R1.528 C=C(C#N)COc1ccccc1C 34a_100000210338_100000694840 [0,3,0,0,0,0|0,0,0]=3 25354 B13R1.528 C=C(C#N)COc1ccccc1Cl 34a_100000210172_100000694840 [0,3,0,0,0,0|0,0,0]=3 25355 B13R1.528 C=C(C#N)COc1ccccc1F 34a_100000210171_100000694840 [0,3,0,0,0,0|0,0,0]=3 25356 B13R1.528 C=C(C#N)COc1ccccc1I 34a_100000739446_100000694840 [0,3,0,0,0,0|0,0,0]=3 25357 B13R1.528 C=C(C#N)COc1ccccc1N 34a_100000185747_100000694840 [0,3,0,0,0,0|0,0,0]=3 25358 B13R1.528 C=C(C#N)COc1cccnc1Br 34a_100000744436_100000694840 [0,3,0,0,0,0|1,0,0]=4 25359 B13R1.528 C=C(C#N)COc1cccnc1C 34a_100000745507_100000694840 [0,3,0,0,0,0|1,0,0]=4 25360 B13R1.528 C=C(C#N)COc1cccnc1Cl 34a_100000757616_100000694840 [0,3,0,0,0,0|1,0,0]=4 25361 B13R1.528 C=C(C#N)COc1cccnc1F 34a_100000061740_100000694840 [0,3,0,0,0,0|1,0,0]=4 25362 B13R1.528 C=C(C#N)COc1cccnc1I 34a_100000034122_100000694840 [0,3,0,0,0,0|1,0,0]=4 25363 B13R1.528 C=C(C#N)COc1cccnc1N 34a_100000211975_100000694840 [0,3,0,0,0,0|1,0,0]=4 25364 B13R1.528 C=C(C#N)COc1cccoc1=O 34a_100000077404_100000694840 [0,3,0,0,0,0|1,0,0]=4 25365 B13R1.528 C=C(C#N)COc1ccncc1Br 34a_100011996408_100000694840 [0,3,0,0,0,0|1,0,0]=4 25366 B13R1.528 C=C(C#N)COc1ccncc1C 34a_100000694293_100000694840 [0,3,0,0,0,0|1,0,0]=4 25367 B13R1.528 C=C(C#N)COc1ccncc1Cl 34a_100011997054_100000694840 [0,3,0,0,0,0|1,0,0]=4 25368 B13R1.528 C=C(C#N)COc1ccncc1F 34a_200000081243_100000694840 [0,3,0,0,0,0|1,0,0]=4 25369 B13R1.528 C=C(C#N)COc1cnccc1C 34a_100011997053_100000694840 [0,3,0,0,0,0|1,0,0]=4 25370 B13R1.528 C=C(C#N)COc1cnccc1Cl 34a_100011996695_100000694840 [0,3,0,0,0,0|1,0,0]=4 25371 B13R1.528 C=C(C#N)COc1cnccc1I 34a_100000050107_100000694840 [0,3,0,0,0,0|1,0,0]=4 25372 B13R1.528 C=C(C#N)COc1cnccc1N 34a_100000753702_100000694840 [0,3,0,0,0,0|1,0,0]=4 25373 B13R1.528 C=C(C#N)COc1coccc1=O 34a_100000060831_100000694840 [0,3,0,0,0,0|1,0,0]=4 25374 B13R1.528 C=C(C#N)COc1ncccc1Cl 34a_100011290957_100000694840 [0,3,0,0,0,0|1,0,0]=4 25375 B13R1.528 C=C(C#N)COc1ncccc1F 34a_100011219419_100000694840 [0,3,0,0,0,0|1,0,0]=4 25376 B13R1.528 C=C(C#N)COc1ncccc1N 34a_100000746358_100000694840 [0,3,0,0,0,0|1,0,0]=4 25377 B13R1.528 C=C(C#N)CSc1ccccc1Br 62a_100000695589_100000694840 [0,3,0,0,0,0|0,1,0]=4 25378 B13R1.528 C=C(C#N)CSc1ccccc1C 62a_100000210755_100000694840 [0,3,0,0,0,0|0,1,0]=4 25379 B13R1.528 C=C(C#N)CSc1ccccc1Cl 62a_100000764095_100000694840 [0,3,0,0,0,0|0,1,0]=4 25380 B13R1.528 C=C(C#N)CSc1ccccc1F 62a_100011215700_100000694840 [0,3,0,0,0,0|0,1,0]=4 25381 B13R1.528 C=C(C#N)CSc1ccccc1N 62a_100000210017_100000694840 [0,3,0,0,0,0|0,1,0]=4 25382 B13R1.528 C=C(C#N)CSc1ccccc1O 62a_100000739446_100000694840 [0,3,0,0,0,0|0,1,0]=4 25383 B13R1.528 C=CC(=O)CCc1ccccc1Br 1458a_100000185746_100012161201 [0,3,0,0,0,0|1,0,0]=4 25384 B13R1.528 C=CC(=O)CCc1ccccc1C 1458a_100000185746_100011713688 [0,3,0,0,0,0|1,0,0]=4 25385 B13R1.528 C=CC(=O)CCc1ccccc1Cl 1458a_100000185746_100011713703 [0,3,0,0,0,0|1,0,0]=4 25386 B13R1.528 C=CC(=O)CCc1ccccc1F 1458a_100000185746_100000720011 [0,3,0,0,0,0|1,0,0]=4 25387 B13R1.528 C=CC(=O)CCc1ccccc1O 1458a_100000185746_100000722297 [0,3,0,0,0,0|1,0,0]=4 25388 B13R1.528 C=CC(C)OCc1ccccc1Br 34a_100000695699_100000184730 [0,3,0,0,0,0|0,0,0]=3 25389 B13R1.528 C=CC(C)OCc1ccccc1C 34a_100000695699_100000211839 [0,3,0,0,0,0|0,0,0]=3 25390 B13R1.528 C=CC(C)OCc1ccccc1Cl 34a_100000695699_100000187162 [0,3,0,0,0,0|0,0,0]=3 25391 B13R1.528 C=CC(C)OCc1ccccc1F 34a_100000695699_100000211605 [0,3,0,0,0,0|0,0,0]=3 25392 B13R1.528 C=CC(C)OCc1ccccc1I 34a_100000695699_100011215278 [0,3,0,0,0,0|0,0,0]=3 25393 B13R1.528 C=CC(C)OCc1cccnc1Br 34a_100000695699_100010140945 [0,3,0,0,0,0|1,0,0]=4 25394 B13R1.528 C=CC(C)OCc1cccnc1C 34a_100000695699_100000732876 [0,3,0,0,0,0|1,0,0]=4 25395 B13R1.528 C=CC(C)OCc1cccnc1Cl 34a_100000695699_100000045678 [0,3,0,0,0,0|1,0,0]=4 25396 B13R1.528 C=CC(C)OCc1cccnc1F 34a_100000695699_100000099810 [0,3,0,0,0,0|1,0,0]=4 25397 B13R1.528 C=CC(C)OCc1ccncc1C 34a_100000695699_100020672809 [0,3,0,0,0,0|1,0,0]=4 25398 B13R1.528 C=CC(C)OCc1cnccc1C 34a_100000695699_100000690890 [0,3,0,0,0,0|1,0,0]=4 25399 B13R1.528 C=CC(C)OCc1ncccc1Br 34a_100000695699_100025702911 [0,3,0,0,0,0|1,0,0]=4 25400 B13R1.528 C=CC(C)OCc1ncccc1C 34a_100000695699_100000696600 [0,3,0,0,0,0|1,0,0]=4 25401 B13R1.528 C=CC(C)OCc1ncccc1F 34a_100000695699_100000104219 [0,3,0,0,0,0|1,0,0]=4 25402 B13R1.528 C=CC(C)OCc1ncccc1O 34a_100000695699_200020655725 [0,3,0,0,0,0|1,0,0]=4 25403 B13R1.528 C=CC(C)SCc1ccccc1Br 62a_100011215867_100000184730 [0,3,0,0,0,0|0,1,0]=4 25404 B13R1.528 C=CC(C)SCc1ccccc1C 62a_100011215867_100000211839 [0,3,0,0,0,0|0,1,0]=4 25405 B13R1.528 C=CC(C)SCc1ccccc1Cl 62a_100011215867_100000187162 [0,3,0,0,0,0|0,1,0]=4 25406 B13R1.528 C=CC(C)SCc1ccccc1F 62a_100011215867_100000211605 [0,3,0,0,0,0|0,1,0]=4 25407 B13R1.528 C=CC(C)SCc1ccccc1I 62a_100011215867_100011216222 [0,3,0,0,0,0|0,1,0]=4 25408 B13R1.528 C=CC(O)CNc1ccccc1Br 34a_100000210017_100000730141 [0,3,0,0,0,0|1,0,0]=4 25409 B13R1.528 C=CC(O)CNc1ccccc1C 34a_100015192222_100000730141 [0,3,0,0,0,0|1,0,0]=4 25410 B13R1.528 C=CC(O)CNc1ccccc1Cl 34a_100000185783_100000730141 [0,3,0,0,0,0|1,0,0]=4 25411 B13R1.528 C=CC(O)CNc1ccccc1F 34a_100000210422_100000730141 [0,3,0,0,0,0|1,0,0]=4 25412 B13R1.528 C=CC(O)CNc1ccccc1I 34a_100000210053_100000730141 [0,3,0,0,0,0|1,0,0]=4 25413 B13R1.528 C=CC(O)CNc1ccccc1O 34a_100000185747_100000730141 [0,3,0,0,0,0|1,0,0]=4 25414 B13R1.528 C=CC(O)COc1cccc[n+]1[O-] 7a_100000211761_100000730141 [0,3,0,0,0,0|1,0,0]=4 25415 B13R1.528 C=CC(O)COc1ccccc1Br 34a_100000181306_100000730141 [0,3,0,0,0,0|0,0,0]=3 25416 B13R1.528 C=CC(O)COc1ccccc1Br 7a_100000181306_100000730141 [0,3,0,0,0,0|0,0,0]=3 25417 B13R1.528 C=CC(O)COc1ccccc1C 34a_100000210338_100000730141 [0,3,0,0,0,0|0,0,0]=3 25418 B13R1.528 C=CC(O)COc1ccccc1C 7a_100000210338_100000730141 [0,3,0,0,0,0|0,0,0]=3 25419 B13R1.528 C=CC(O)COc1ccccc1Cl 34a_100000210172_100000730141 [0,3,0,0,0,0|0,0,0]=3 25420 B13R1.528 C=CC(O)COc1ccccc1Cl 7a_100000210172_100000730141 [0,3,0,0,0,0|0,0,0]=3 25421 B13R1.528 C=CC(O)COc1ccccc1F 34a_100000210171_100000730141 [0,3,0,0,0,0|0,0,0]=3 25422 B13R1.528 C=CC(O)COc1ccccc1F 7a_100000210171_100000730141 [0,3,0,0,0,0|0,0,0]=3 25423 B13R1.528 C=CC(O)COc1ccccc1I 34a_100000739446_100000730141 [0,3,0,0,0,0|0,0,0]=3 25424 B13R1.528 C=CC(O)COc1ccccc1I 7a_100000739446_100000730141 [0,3,0,0,0,0|0,0,0]=3 25425 B13R1.528 C=CC(O)COc1ccccc1N 34a_100000185747_100000730141 [0,3,0,0,0,0|0,0,0]=3 25426 B13R1.528 C=CC(O)COc1ccccc1N 7a_100000185747_100000730141 [0,3,0,0,0,0|0,0,0]=3 25427 B13R1.528 C=CC(O)COc1cccnc1Br 34a_100000744436_100000730141 [0,3,0,0,0,0|1,0,0]=4 25428 B13R1.528 C=CC(O)COc1cccnc1Br 7a_100000744436_100000730141 [0,3,0,0,0,0|1,0,0]=4 25429 B13R1.528 C=CC(O)COc1cccnc1C 34a_100000745507_100000730141 [0,3,0,0,0,0|1,0,0]=4 25430 B13R1.528 C=CC(O)COc1cccnc1C 7a_100000745507_100000730141 [0,3,0,0,0,0|1,0,0]=4 25431 B13R1.528 C=CC(O)COc1cccnc1Cl 34a_100000757616_100000730141 [0,3,0,0,0,0|1,0,0]=4 25432 B13R1.528 C=CC(O)COc1cccnc1Cl 7a_100000757616_100000730141 [0,3,0,0,0,0|1,0,0]=4 25433 B13R1.528 C=CC(O)COc1cccnc1F 34a_100000061740_100000730141 [0,3,0,0,0,0|1,0,0]=4 25434 B13R1.528 C=CC(O)COc1cccnc1F 7a_100000061740_100000730141 [0,3,0,0,0,0|1,0,0]=4 25435 B13R1.528 C=CC(O)COc1cccnc1I 34a_100000034122_100000730141 [0,3,0,0,0,0|1,0,0]=4 25436 B13R1.528 C=CC(O)COc1cccnc1I 7a_100000034122_100000730141 [0,3,0,0,0,0|1,0,0]=4 25437 B13R1.528 C=CC(O)COc1cccnc1N 34a_100000211975_100000730141 [0,3,0,0,0,0|1,0,0]=4 25438 B13R1.528 C=CC(O)COc1cccnc1N 7a_100000211975_100000730141 [0,3,0,0,0,0|1,0,0]=4 25439 B13R1.528 C=CC(O)COc1cccoc1=O 34a_100000077404_100000730141 [0,3,0,0,0,0|1,0,0]=4 25440 B13R1.528 C=CC(O)COc1cccoc1=O 7a_100000077404_100000730141 [0,3,0,0,0,0|1,0,0]=4 25441 B13R1.528 C=CC(O)COc1ccncc1Br 34a_100011996408_100000730141 [0,3,0,0,0,0|1,0,0]=4 25442 B13R1.528 C=CC(O)COc1ccncc1C 34a_100000694293_100000730141 [0,3,0,0,0,0|1,0,0]=4 25443 B13R1.528 C=CC(O)COc1ccncc1Cl 34a_100011997054_100000730141 [0,3,0,0,0,0|1,0,0]=4 25444 B13R1.528 C=CC(O)COc1ccncc1F 34a_200000081243_100000730141 [0,3,0,0,0,0|1,0,0]=4 25445 B13R1.528 C=CC(O)COc1cnccc1C 34a_100011997053_100000730141 [0,3,0,0,0,0|1,0,0]=4 25446 B13R1.528 C=CC(O)COc1cnccc1C 7a_100011997053_100000730141 [0,3,0,0,0,0|1,0,0]=4 25447 B13R1.528 C=CC(O)COc1cnccc1Cl 34a_100011996695_100000730141 [0,3,0,0,0,0|1,0,0]=4 25448 B13R1.528 C=CC(O)COc1cnccc1I 34a_100000050107_100000730141 [0,3,0,0,0,0|1,0,0]=4 25449 B13R1.528 C=CC(O)COc1cnccc1N 34a_100000753702_100000730141 [0,3,0,0,0,0|1,0,0]=4 25450 B13R1.528 C=CC(O)COc1coccc1=O 34a_100000060831_100000730141 [0,3,0,0,0,0|1,0,0]=4 25451 B13R1.528 C=CC(O)COc1ncccc1Cl 34a_100011290957_100000730141 [0,3,0,0,0,0|1,0,0]=4 25452 B13R1.528 C=CC(O)COc1ncccc1F 34a_100011219419_100000730141 [0,3,0,0,0,0|1,0,0]=4 25453 B13R1.528 C=CC(O)COc1ncccc1N 34a_100000746358_100000730141 [0,3,0,0,0,0|1,0,0]=4 25454 B13R1.528 C=CC(O)CSc1ccccc1Br 62a_100000695589_100000730141 [0,3,0,0,0,0|0,1,0]=4 25455 B13R1.528 C=CC(O)CSc1ccccc1Br 62a_100000730141_100000695589 [0,3,0,0,0,0|0,1,0]=4 25456 B13R1.528 C=CC(O)CSc1ccccc1C 62a_100000210755_100000730141 [0,3,0,0,0,0|0,1,0]=4 25457 B13R1.528 C=CC(O)CSc1ccccc1C 62a_100000730141_100000210755 [0,3,0,0,0,0|0,1,0]=4 25458 B13R1.528 C=CC(O)CSc1ccccc1Cl 62a_100000730141_100000764095 [0,3,0,0,0,0|0,1,0]=4 25459 B13R1.528 C=CC(O)CSc1ccccc1Cl 62a_100000764095_100000730141 [0,3,0,0,0,0|0,1,0]=4 25460 B13R1.528 C=CC(O)CSc1ccccc1F 62a_100000730141_100011215700 [0,3,0,0,0,0|0,1,0]=4 25461 B13R1.528 C=CC(O)CSc1ccccc1F 62a_100011215700_100000730141 [0,3,0,0,0,0|0,1,0]=4 25462 B13R1.528 C=CC(O)CSc1ccccc1N 62a_100000210017_100000730141 [0,3,0,0,0,0|0,1,0]=4 25463 B13R1.528 C=CC(O)CSc1ccccc1N 62a_100000730141_100000210017 [0,3,0,0,0,0|0,1,0]=4 25464 B13R1.528 C=CC(O)CSc1ccccc1O 62a_100000730141_100000739446 [0,3,0,0,0,0|0,1,0]=4 25465 B13R1.528 C=CC(O)CSc1ccccc1O 62a_100000739446_100000730141 [0,3,0,0,0,0|0,1,0]=4 25466 B13R1.528 CCC(=O)COc1ccccc1Br 1458a_100000216496_100000210202 [0,3,0,0,0,0|0,0,1]=4 25467 B13R1.528 CCC(=O)COc1ccccc1Br 7a_100000181306_100000747405 [0,3,0,0,0,0|0,0,1]=4 25468 B13R1.528 CCC(=O)COc1ccccc1C 1458a_100000182418_100000210202 [0,3,0,0,0,0|0,0,1]=4 25469 B13R1.528 CCC(=O)COc1ccccc1C 7a_100000210338_100000747405 [0,3,0,0,0,0|0,0,1]=4 25470 B13R1.528 CCC(=O)COc1ccccc1Cl 1458a_100000185159_100000210202 [0,3,0,0,0,0|0,0,1]=4 25471 B13R1.528 CCC(=O)COc1ccccc1Cl 7a_100000210172_100000747405 [0,3,0,0,0,0|0,0,1]=4 25472 B13R1.528 CCC(=O)COc1ccccc1F 1458a_100000182486_100000210202 [0,3,0,0,0,0|0,0,1]=4 25473 B13R1.528 CCC(=O)COc1ccccc1F 7a_100000210171_100000747405 [0,3,0,0,0,0|0,0,1]=4 25474 B13R1.528 CCC(=O)COc1ccccc1I 7a_100000739446_100000747405 [0,3,0,0,0,0|0,0,1]=4 25475 B13R1.528 CCC(=O)COc1ccccc1N 7a_100000185747_100000747405 [0,3,0,0,0,0|0,0,1]=4 25476 B13R1.528 CCC(=O)COc1ccccc1O 1458a_100000183020_100000210202 [0,3,0,0,0,0|0,0,1]=4 25477 B13R1.528 CNC(=O)COc1ccccc1Br 11a_106832991635_100000216496 [0,3,0,0,0,0|0,0,1]=4 25478 B13R1.528 CNC(=O)COc1ccccc1Br 1626a_100102657272_100000216496 [0,3,0,0,0,0|0,0,1]=4 25479 B13R1.528 CNC(=O)COc1ccccc1Br 240690a_100102657272_100000216496 [0,3,0,0,0,0|0,0,1]=4 25480 B13R1.528 CNC(=O)COc1ccccc1Br 34a_100000181306_100000183359 [0,3,0,0,0,0|0,0,1]=4 25481 B13R1.528 CNC(=O)COc1ccccc1Br 527a_100102657272_100000216496 [0,3,0,0,0,0|0,0,1]=4 25482 B13R1.528 CNC(=O)COc1ccccc1Br 7a_100000181306_100000183359 [0,3,0,0,0,0|0,0,1]=4 25483 B13R1.528 CNC(=O)COc1ccccc1C 11a_106832991635_100000182418 [0,3,0,0,0,0|0,0,1]=4 25484 B13R1.528 CNC(=O)COc1ccccc1C 1626a_100102657272_100000182418 [0,3,0,0,0,0|0,0,1]=4 25485 B13R1.528 CNC(=O)COc1ccccc1C 240690a_100102657272_100000182418 [0,3,0,0,0,0|0,0,1]=4 25486 B13R1.528 CNC(=O)COc1ccccc1C 34a_100000210338_100000183359 [0,3,0,0,0,0|0,0,1]=4 25487 B13R1.528 CNC(=O)COc1ccccc1C 527a_100102657272_100000182418 [0,3,0,0,0,0|0,0,1]=4 25488 B13R1.528 CNC(=O)COc1ccccc1C 7a_100000210338_100000183359 [0,3,0,0,0,0|0,0,1]=4 25489 B13R1.528 CNC(=O)COc1ccccc1Cl 11a_106832991635_100000185159 [0,3,0,0,0,0|0,0,1]=4 25490 B13R1.528 CNC(=O)COc1ccccc1Cl 1626a_100102657272_100000185159 [0,3,0,0,0,0|0,0,1]=4 25491 B13R1.528 CNC(=O)COc1ccccc1Cl 240690a_100102657272_100000185159 [0,3,0,0,0,0|0,0,1]=4 25492 B13R1.528 CNC(=O)COc1ccccc1Cl 34a_100000210172_100000183359 [0,3,0,0,0,0|0,0,1]=4 25493 B13R1.528 CNC(=O)COc1ccccc1Cl 527a_100102657272_100000185159 [0,3,0,0,0,0|0,0,1]=4 25494 B13R1.528 CNC(=O)COc1ccccc1Cl 7a_100000210172_100000183359 [0,3,0,0,0,0|0,0,1]=4 25495 B13R1.528 CNC(=O)COc1ccccc1F 11a_106832991635_100000182486 [0,3,0,0,0,0|0,0,1]=4 25496 B13R1.528 CNC(=O)COc1ccccc1F 1626a_100102657272_100000182486 [0,3,0,0,0,0|0,0,1]=4 25497 B13R1.528 CNC(=O)COc1ccccc1F 240690a_100102657272_100000182486 [0,3,0,0,0,0|0,0,1]=4 25498 B13R1.528 CNC(=O)COc1ccccc1F 34a_100000210171_100000183359 [0,3,0,0,0,0|0,0,1]=4 25499 B13R1.528 CNC(=O)COc1ccccc1F 527a_100102657272_100000182486 [0,3,0,0,0,0|0,0,1]=4 25500 B13R1.528 CNC(=O)COc1ccccc1F 7a_100000210171_100000183359 [0,3,0,0,0,0|0,0,1]=4 25501 B13R1.528 CNC(=O)COc1ccccc1I 34a_100000739446_100000183359 [0,3,0,0,0,0|0,0,1]=4 25502 B13R1.528 CNC(=O)COc1ccccc1I 7a_100000739446_100000183359 [0,3,0,0,0,0|0,0,1]=4 25503 B13R1.528 CNC(=O)COc1ccccc1N 34a_100000185747_100000183359 [0,3,0,0,0,0|0,0,1]=4 25504 B13R1.528 CNC(=O)COc1ccccc1N 7a_100000185747_100000183359 [0,3,0,0,0,0|0,0,1]=4 25505 B13R1.528 CNC(=O)COc1ccccc1O 240690a_100102657272_100000183020 [0,3,0,0,0,0|0,0,1]=4 25506 B13R1.528 CNC(=O)COc1ccccc1O 271570a_203496583355_200000148481 [0,3,0,0,0,0|0,0,1]=4 25507 B13R1.528 CNC(=O)COc1ccccc1O 527a_100102657272_100000183020 [0,3,0,0,0,0|0,0,1]=4 25508 B13R1.528 COC(=O)COc1ccccc1Br 34a_100000181306_100000747449 [0,3,0,0,0,0|0,0,1]=4 25509 B13R1.528 COC(=O)COc1ccccc1Br 7a_100000181306_100000747449 [0,3,0,0,0,0|0,0,1]=4 25510 B13R1.528 COC(=O)COc1ccccc1C 34a_100000210338_100000747449 [0,3,0,0,0,0|0,0,1]=4 25511 B13R1.528 COC(=O)COc1ccccc1C 7a_100000210338_100000747449 [0,3,0,0,0,0|0,0,1]=4 25512 B13R1.528 COC(=O)COc1ccccc1Cl 34a_100000210172_100000747449 [0,3,0,0,0,0|0,0,1]=4 25513 B13R1.528 COC(=O)COc1ccccc1Cl 7a_100000210172_100000747449 [0,3,0,0,0,0|0,0,1]=4 25514 B13R1.528 COC(=O)COc1ccccc1F 34a_100000210171_100000747449 [0,3,0,0,0,0|0,0,1]=4 25515 B13R1.528 COC(=O)COc1ccccc1F 7a_100000210171_100000747449 [0,3,0,0,0,0|0,0,1]=4 25516 B13R1.528 COC(=O)COc1ccccc1I 34a_100000739446_100000747449 [0,3,0,0,0,0|0,0,1]=4 25517 B13R1.528 COC(=O)COc1ccccc1I 7a_100000739446_100000747449 [0,3,0,0,0,0|0,0,1]=4 25518 B13R1.528 COC(=O)COc1ccccc1N 34a_100000185747_100000747449 [0,3,0,0,0,0|0,0,1]=4 25519 B13R1.528 COC(=O)COc1ccccc1N 7a_100000185747_100000747449 [0,3,0,0,0,0|0,0,1]=4 25520 B13R1.528 COC(=O)COc1ccccc1O 271570a_203496583355_200000173920 [0,3,0,0,0,0|0,0,1]=4 25521 B13R1.528 Cc1ccccc1OCC(=O)CF 1458a_100000182418_100015361967 [0,3,0,0,0,0|0,0,1]=4 25522 B13R1.528 NNC(=O)COc1ccccc1O 271570a_203496583355_100025785231 [0,3,0,0,0,0|1,0,0]=4 25523 B13R1.528 O=C(CF)COc1ccccc1Br 1458a_100000216496_100015361967 [0,3,0,0,0,0|0,0,1]=4 25524 B13R1.528 O=C(CF)COc1ccccc1Cl 1458a_100000185159_100015361967 [0,3,0,0,0,0|0,0,1]=4 25525 B13R1.528 O=C(CF)COc1ccccc1F 1458a_100000182486_100015361967 [0,3,0,0,0,0|0,0,1]=4 25526 B13R1.528 O=C(CF)COc1ccccc1O 1458a_100000183020_100015361967 [0,3,0,0,0,0|0,0,1]=4 25527 B13R1.893 C=C(C)CNc1cc(ccc1Br)Br 34a_100000737762_100000748629 [0,3,0,0,0,0|1,0,0]=4 25528 B13R1.893 C=C(C)CNc1cc(ccc1Br)C 34a_100000745044_100000748629 [0,3,0,0,0,0|1,0,0]=4 25529 B13R1.893 C=C(C)CNc1cc(ccc1Br)Cl 34a_100000687073_100000748629 [0,3,0,0,0,0|1,0,0]=4 25530 B13R1.893 C=C(C)CNc1cc(ccc1Br)F 34a_100000687223_100000748629 [0,3,0,0,0,0|1,0,0]=4 25531 B13R1.893 C=C(C)CNc1cc(ccc1Br)O 34a_100011999798_100000748629 [0,3,0,0,0,0|1,0,0]=4 25532 B13R1.893 C=C(C)CNc1cc(ccc1C)Br 34a_100000741167_100000748629 [0,3,0,0,0,0|1,0,0]=4 25533 B13R1.893 C=C(C)CNc1cc(ccc1C)Br 7a_100000741167_100000748629 [0,3,0,0,0,0|1,0,0]=4 25534 B13R1.893 C=C(C)CNc1cc(ccc1C)C 2230a_100000185781_100000748629 [0,3,0,0,0,0|1,0,0]=4 25535 B13R1.893 C=C(C)CNc1cc(ccc1C)C 34a_100000185781_100000748629 [0,3,0,0,0,0|1,0,0]=4 25536 B13R1.893 C=C(C)CNc1cc(ccc1C)C 7a_100000185781_100000748629 [0,3,0,0,0,0|1,0,0]=4 25537 B13R1.893 C=C(C)CNc1cc(ccc1C)Cl 34a_100000211374_100000748629 [0,3,0,0,0,0|1,0,0]=4 25538 B13R1.893 C=C(C)CNc1cc(ccc1C)Cl 7a_100000211374_100000748629 [0,3,0,0,0,0|1,0,0]=4 25539 B13R1.893 C=C(C)CNc1cc(ccc1C)F 34a_100000211107_100000748629 [0,3,0,0,0,0|1,0,0]=4 25540 B13R1.893 C=C(C)CNc1cc(ccc1C)F 7a_100000211107_100000748629 [0,3,0,0,0,0|1,0,0]=4 25541 B13R1.893 C=C(C)CNc1cc(ccc1C)I 7a_100000761890_100000748629 [0,3,0,0,0,0|1,0,0]=4 25542 B13R1.893 C=C(C)CNc1cc(ccc1C)O 34a_100011216113_100000748629 [0,3,0,0,0,0|1,0,0]=4 25543 B13R1.893 C=C(C)CNc1cc(ccc1Cl)Br 34a_100000750497_100000748629 [0,3,0,0,0,0|1,0,0]=4 25544 B13R1.893 C=C(C)CNc1cc(ccc1Cl)C 34a_100011215360_100000748629 [0,3,0,0,0,0|1,0,0]=4 25545 B13R1.893 C=C(C)CNc1cc(ccc1Cl)Cl 34a_100000184485_100000748629 [0,3,0,0,0,0|1,0,0]=4 25546 B13R1.893 C=C(C)CNc1cc(ccc1Cl)F 34a_100000751338_100000748629 [0,3,0,0,0,0|1,0,0]=4 25547 B13R1.893 C=C(C)CNc1cc(ccc1Cl)I 34a_200000761891_100000748629 [0,3,0,0,0,0|1,0,0]=4 25548 B13R1.893 C=C(C)CNc1cc(ccc1Cl)O 34a_100011934297_100000748629 [0,3,0,0,0,0|1,0,0]=4 25549 B13R1.893 C=C(C)CNc1cc(ccc1F)Br 34a_100000740924_100000748629 [0,3,0,0,0,0|1,0,0]=4 25550 B13R1.893 C=C(C)CNc1cc(ccc1F)C 34a_100000211285_100000748629 [0,3,0,0,0,0|1,0,0]=4 25551 B13R1.893 C=C(C)CNc1cc(ccc1F)Cl 34a_100000212115_100000748629 [0,3,0,0,0,0|1,0,0]=4 25552 B13R1.893 C=C(C)CNc1cc(ccc1F)F 34a_100000210742_100000748629 [0,3,0,0,0,0|1,0,0]=4 25553 B13R1.893 C=C(C)CNc1cc(ccc1F)I 34a_100011464823_100000748629 [0,3,0,0,0,0|1,0,0]=4 25554 B13R1.893 C=C(C)CNc1cc(ccc1F)O 34a_100012017239_100000748629 [0,3,0,0,0,0|1,0,0]=4 25555 B13R1.893 C=C(C)CNc1cc(ccc1I)Br 34a_100000743836_100000748629 [0,3,0,0,0,0|1,0,0]=4 25556 B13R1.893 C=C(C)CNc1cc(ccc1I)C 34a_100011216686_100000748629 [0,3,0,0,0,0|1,0,0]=4 25557 B13R1.893 C=C(C)CNc1cc(ccc1I)Cl 34a_100000761886_100000748629 [0,3,0,0,0,0|1,0,0]=4 25558 B13R1.893 C=C(C)CNc1cc(ccc1I)F 34a_100011218093_100000748629 [0,3,0,0,0,0|1,0,0]=4 25559 B13R1.893 C=C(C)CNc1cc(ccc1O)Br 34a_100000752626_100000748629 [0,3,0,0,0,0|1,0,0]=4 25560 B13R1.893 C=C(C)CNc1cc(ccc1O)C 34a_100011215204_100000748629 [0,3,0,0,0,0|1,0,0]=4 25561 B13R1.893 C=C(C)CNc1cc(ccc1O)Cl 34a_100000210500_100000748629 [0,3,0,0,0,0|1,0,0]=4 25562 B13R1.893 C=C(C)CNc1cc(ccc1O)F 34a_100000759472_100000748629 [0,3,0,0,0,0|1,0,0]=4 25563 B13R1.893 C=C(C)COc1cc(=O)[nH]cc1Cl 34a_100000069390_100000748629 [0,3,0,0,0,0|1,0,0]=4 25564 B13R1.893 C=C(C)COc1cc(ccc1Br)Br 34a_100011220040_100000748629 [0,3,0,0,0,0|0,0,0]=3 25565 B13R1.893 C=C(C)COc1cc(ccc1Br)Br 7a_100011220040_100000748629 [0,3,0,0,0,0|0,0,0]=3 25566 B13R1.893 C=C(C)COc1cc(ccc1Br)C 34a_100012002257_100000748629 [0,3,0,0,0,0|0,0,0]=3 25567 B13R1.893 C=C(C)COc1cc(ccc1Br)C 7a_100012002257_100000748629 [0,3,0,0,0,0|0,0,0]=3 25568 B13R1.893 C=C(C)COc1cc(ccc1Br)Cl 34a_100012339455_100000748629 [0,3,0,0,0,0|0,0,0]=3 25569 B13R1.893 C=C(C)COc1cc(ccc1Br)Cl 7a_100012339455_100000748629 [0,3,0,0,0,0|0,0,0]=3 25570 B13R1.893 C=C(C)COc1cc(ccc1Br)F 34a_100000690578_100000748629 [0,3,0,0,0,0|0,0,0]=3 25571 B13R1.893 C=C(C)COc1cc(ccc1Br)F 7a_100000690578_100000748629 [0,3,0,0,0,0|0,0,0]=3 25572 B13R1.893 C=C(C)COc1cc(ccc1Br)I 34a_100012356990_100000748629 [0,3,0,0,0,0|0,0,0]=3 25573 B13R1.893 C=C(C)COc1cc(ccc1Br)I 7a_100012356990_100000748629 [0,3,0,0,0,0|0,0,0]=3 25574 B13R1.893 C=C(C)COc1cc(ccc1C)Br 34a_100000685420_100000748629 [0,3,0,0,0,0|0,0,0]=3 25575 B13R1.893 C=C(C)COc1cc(ccc1C)Br 7a_100000685420_100000748629 [0,3,0,0,0,0|0,0,0]=3 25576 B13R1.893 C=C(C)COc1cc(ccc1C)C 34a_100000210931_100000748629 [0,3,0,0,0,0|0,0,0]=3 25577 B13R1.893 C=C(C)COc1cc(ccc1C)C 7a_100000210931_100000748629 [0,3,0,0,0,0|0,0,0]=3 25578 B13R1.893 C=C(C)COc1cc(ccc1C)Cl 34a_100000756515_100000748629 [0,3,0,0,0,0|0,0,0]=3 25579 B13R1.893 C=C(C)COc1cc(ccc1C)Cl 7a_100000756515_100000748629 [0,3,0,0,0,0|0,0,0]=3 25580 B13R1.893 C=C(C)COc1cc(ccc1C)F 34a_100000690566_100000748629 [0,3,0,0,0,0|0,0,0]=3 25581 B13R1.893 C=C(C)COc1cc(ccc1C)F 7a_100000690566_100000748629 [0,3,0,0,0,0|0,0,0]=3 25582 B13R1.893 C=C(C)COc1cc(ccc1C)I 7a_100000766334_100000748629 [0,3,0,0,0,0|0,0,0]=3 25583 B13R1.893 C=C(C)COc1cc(ccc1C)N 34a_100000759471_100000748629 [0,3,0,0,0,0|0,0,0]=3 25584 B13R1.893 C=C(C)COc1cc(ccc1C)N 7a_100000759471_100000748629 [0,3,0,0,0,0|0,0,0]=3 25585 B13R1.893 C=C(C)COc1cc(ccc1Cl)Br 34a_100000738945_100000748629 [0,3,0,0,0,0|0,0,0]=3 25586 B13R1.893 C=C(C)COc1cc(ccc1Cl)Br 7a_100000738945_100000748629 [0,3,0,0,0,0|0,0,0]=3 25587 B13R1.893 C=C(C)COc1cc(ccc1Cl)C 34a_100000211493_100000748629 [0,3,0,0,0,0|0,0,0]=3 25588 B13R1.893 C=C(C)COc1cc(ccc1Cl)C 7a_100000211493_100000748629 [0,3,0,0,0,0|0,0,0]=3 25589 B13R1.893 C=C(C)COc1cc(ccc1Cl)Cl 34a_100000211422_100000748629 [0,3,0,0,0,0|0,0,0]=3 25590 B13R1.893 C=C(C)COc1cc(ccc1Cl)Cl 7a_100000211422_100000748629 [0,3,0,0,0,0|0,0,0]=3 25591 B13R1.893 C=C(C)COc1cc(ccc1Cl)F 34a_100000692107_100000748629 [0,3,0,0,0,0|0,0,0]=3 25592 B13R1.893 C=C(C)COc1cc(ccc1Cl)F 7a_100000692107_100000748629 [0,3,0,0,0,0|0,0,0]=3 25593 B13R1.893 C=C(C)COc1cc(ccc1Cl)I 34a_100011356854_100000748629 [0,3,0,0,0,0|0,0,0]=3 25594 B13R1.893 C=C(C)COc1cc(ccc1Cl)I 7a_100011356854_100000748629 [0,3,0,0,0,0|0,0,0]=3 25595 B13R1.893 C=C(C)COc1cc(ccc1Cl)N 34a_100011934209_100000748629 [0,3,0,0,0,0|0,0,0]=3 25596 B13R1.893 C=C(C)COc1cc(ccc1F)Br 34a_100000686035_100000748629 [0,3,0,0,0,0|0,0,0]=3 25597 B13R1.893 C=C(C)COc1cc(ccc1F)Br 7a_100000686035_100000748629 [0,3,0,0,0,0|0,0,0]=3 25598 B13R1.893 C=C(C)COc1cc(ccc1F)C 34a_100000759540_100000748629 [0,3,0,0,0,0|0,0,0]=3 25599 B13R1.893 C=C(C)COc1cc(ccc1F)C 7a_100000759540_100000748629 [0,3,0,0,0,0|0,0,0]=3 25600 B13R1.893 C=C(C)COc1cc(ccc1F)Cl 34a_100000757397_100000748629 [0,3,0,0,0,0|0,0,0]=3 25601 B13R1.893 C=C(C)COc1cc(ccc1F)Cl 7a_100000757397_100000748629 [0,3,0,0,0,0|0,0,0]=3 25602 B13R1.893 C=C(C)COc1cc(ccc1F)F 34a_100000752141_100000748629 [0,3,0,0,0,0|0,0,0]=3 25603 B13R1.893 C=C(C)COc1cc(ccc1F)F 7a_100000752141_100000748629 [0,3,0,0,0,0|0,0,0]=3 25604 B13R1.893 C=C(C)COc1cc(ccc1F)I 34a_100009958187_100000748629 [0,3,0,0,0,0|0,0,0]=3 25605 B13R1.893 C=C(C)COc1cc(ccc1F)I 7a_100009958187_100000748629 [0,3,0,0,0,0|0,0,0]=3 25606 B13R1.893 C=C(C)COc1cc(ccc1F)N 34a_100012017398_100000748629 [0,3,0,0,0,0|0,0,0]=3 25607 B13R1.893 C=C(C)COc1cc(ccc1F)N 7a_100012017398_100000748629 [0,3,0,0,0,0|0,0,0]=3 25608 B13R1.893 C=C(C)COc1cc(ccc1I)Br 34a_100012344904_100000748629 [0,3,0,0,0,0|0,0,0]=3 25609 B13R1.893 C=C(C)COc1cc(ccc1I)Br 7a_100012344904_100000748629 [0,3,0,0,0,0|0,0,0]=3 25610 B13R1.893 C=C(C)COc1cc(ccc1I)Cl 34a_100000050036_100000748629 [0,3,0,0,0,0|0,0,0]=3 25611 B13R1.893 C=C(C)COc1cc(ccc1I)Cl 7a_100000050036_100000748629 [0,3,0,0,0,0|0,0,0]=3 25612 B13R1.893 C=C(C)COc1cc(ccc1I)F 34a_100010084537_100000748629 [0,3,0,0,0,0|0,0,0]=3 25613 B13R1.893 C=C(C)COc1cc(ccc1I)F 7a_100010084537_100000748629 [0,3,0,0,0,0|0,0,0]=3 25614 B13R1.893 C=C(C)COc1cc(ccc1N)Br 34a_100000739049_100000748629 [0,3,0,0,0,0|0,0,0]=3 25615 B13R1.893 C=C(C)COc1cc(ccc1N)Br 7a_100000739049_100000748629 [0,3,0,0,0,0|0,0,0]=3 25616 B13R1.893 C=C(C)COc1cc(ccc1N)C 34a_100000211527_100000748629 [0,3,0,0,0,0|0,0,0]=3 25617 B13R1.893 C=C(C)COc1cc(ccc1N)C 7a_100000211527_100000748629 [0,3,0,0,0,0|0,0,0]=3 25618 B13R1.893 C=C(C)COc1cc(ccc1N)Cl 34a_100000185728_100000748629 [0,3,0,0,0,0|0,0,0]=3 25619 B13R1.893 C=C(C)COc1cc(ccc1N)Cl 7a_100000185728_100000748629 [0,3,0,0,0,0|0,0,0]=3 25620 B13R1.893 C=C(C)COc1cc(ccc1N)F 34a_100000753323_100000748629 [0,3,0,0,0,0|0,0,0]=3 25621 B13R1.893 C=C(C)COc1cc(ccc1N)F 7a_100000753323_100000748629 [0,3,0,0,0,0|0,0,0]=3 25622 B13R1.893 C=C(C)COc1cc(ccc1N)I 34a_100000057187_100000748629 [0,3,0,0,0,0|0,0,0]=3 25623 B13R1.893 C=C(C)COc1cc(ccc1N)I 7a_100000057187_100000748629 [0,3,0,0,0,0|0,0,0]=3 25624 B13R1.893 C=C(C)COc1cc(ccc1N)N 34a_100025717382_100000748629 [0,3,0,0,0,0|0,0,0]=3 25625 B13R1.893 C=C(C)COc1cc(cnc1Br)Cl 34a_100000697010_100000748629 [0,3,0,0,0,0|1,0,0]=4 25626 B13R1.893 C=C(C)COc1cc(cnc1Br)Cl 7a_100000697010_100000748629 [0,3,0,0,0,0|1,0,0]=4 25627 B13R1.893 C=C(C)COc1cc(cnc1Br)F 34a_100009820119_100000748629 [0,3,0,0,0,0|1,0,0]=4 25628 B13R1.893 C=C(C)COc1cc(cnc1Br)F 7a_100009820119_100000748629 [0,3,0,0,0,0|1,0,0]=4 25629 B13R1.893 C=C(C)COc1cc(cnc1C)Br 34a_100009864810_100000748629 [0,3,0,0,0,0|1,0,0]=4 25630 B13R1.893 C=C(C)COc1cc(cnc1C)Br 7a_100009864810_100000748629 [0,3,0,0,0,0|1,0,0]=4 25631 B13R1.893 C=C(C)COc1cc(cnc1Cl)Br 34a_100012354860_100000748629 [0,3,0,0,0,0|1,0,0]=4 25632 B13R1.893 C=C(C)COc1cc(cnc1Cl)Br 7a_100012354860_100000748629 [0,3,0,0,0,0|1,0,0]=4 25633 B13R1.893 C=C(C)COc1cc(cnc1Cl)C 34a_100012000487_100000748629 [0,3,0,0,0,0|1,0,0]=4 25634 B13R1.893 C=C(C)COc1cc(cnc1Cl)C 7a_100012000487_100000748629 [0,3,0,0,0,0|1,0,0]=4 25635 B13R1.893 C=C(C)COc1cc(cnc1Cl)F 34a_100000079967_100000748629 [0,3,0,0,0,0|1,0,0]=4 25636 B13R1.893 C=C(C)COc1cc(cnc1Cl)F 7a_100000079967_100000748629 [0,3,0,0,0,0|1,0,0]=4 25637 B13R1.893 C=C(C)COc1cc(cnc1F)Br 34a_100009819871_100000748629 [0,3,0,0,0,0|1,0,0]=4 25638 B13R1.893 C=C(C)COc1cc(cnc1F)Br 7a_100009819871_100000748629 [0,3,0,0,0,0|1,0,0]=4 25639 B13R1.893 C=C(C)COc1cc(cnc1F)C 34a_100009849810_100000748629 [0,3,0,0,0,0|1,0,0]=4 25640 B13R1.893 C=C(C)COc1cc(cnc1F)C 7a_100009849810_100000748629 [0,3,0,0,0,0|1,0,0]=4 25641 B13R1.893 C=C(C)COc1cc(cnc1F)Cl 34a_100000094372_100000748629 [0,3,0,0,0,0|1,0,0]=4 25642 B13R1.893 C=C(C)COc1cc(cnc1F)Cl 7a_100000094372_100000748629 [0,3,0,0,0,0|1,0,0]=4 25643 B13R1.893 C=C(C)COc1cc(cnc1I)Br 34a_100010210634_100000748629 [0,3,0,0,0,0|1,0,0]=4 25644 B13R1.893 C=C(C)COc1cc(cnc1I)Br 7a_100010210634_100000748629 [0,3,0,0,0,0|1,0,0]=4 25645 B13R1.893 C=C(C)COc1cc(cnc1I)Cl 34a_100010233512_100000748629 [0,3,0,0,0,0|1,0,0]=4 25646 B13R1.893 C=C(C)COc1cc(cnc1I)Cl 7a_100010233512_100000748629 [0,3,0,0,0,0|1,0,0]=4 25647 B13R1.893 C=C(C)COc1cc(cnc1I)F 34a_100015624800_100000748629 [0,3,0,0,0,0|1,0,0]=4 25648 B13R1.893 C=C(C)COc1cc(cnc1I)F 7a_100015624800_100000748629 [0,3,0,0,0,0|1,0,0]=4 25649 B13R1.893 C=C(C)COc1cc(cnc1N)Br 34a_100009819042_100000748629 [0,3,0,0,0,0|1,0,0]=4 25650 B13R1.893 C=C(C)COc1cc(cnc1N)Br 7a_100009819042_100000748629 [0,3,0,0,0,0|1,0,0]=4 25651 B13R1.893 C=C(C)COc1cc(cnc1N)Cl 34a_100000123674_100000748629 [0,3,0,0,0,0|1,0,0]=4 25652 B13R1.893 C=C(C)COc1cc(cnc1N)Cl 7a_100000123674_100000748629 [0,3,0,0,0,0|1,0,0]=4 25653 B13R1.893 C=C(C)COc1cc(cnc1N)F 34a_100000094369_100000748629 [0,3,0,0,0,0|1,0,0]=4 25654 B13R1.893 C=C(C)COc1cc(cnc1N)F 7a_100000094369_100000748629 [0,3,0,0,0,0|1,0,0]=4 25655 B13R1.893 C=C(C)COc1cc(ncc1Br)Br 34a_100010235016_100000748629 [0,3,0,0,0,0|1,0,0]=4 25656 B13R1.893 C=C(C)COc1cc(ncc1Br)C 34a_100011016184_100000748629 [0,3,0,0,0,0|1,0,0]=4 25657 B13R1.893 C=C(C)COc1cc(ncc1Br)Cl 34a_100010173860_100000748629 [0,3,0,0,0,0|1,0,0]=4 25658 B13R1.893 C=C(C)COc1cc(ncc1C)Br 34a_100000704368_100000748629 [0,3,0,0,0,0|1,0,0]=4 25659 B13R1.893 C=C(C)COc1cc(ncc1C)Br 7a_100000704368_100000748629 [0,3,0,0,0,0|1,0,0]=4 25660 B13R1.893 C=C(C)COc1cc(ncc1Cl)Br 34a_100010173861_100000748629 [0,3,0,0,0,0|1,0,0]=4 25661 B13R1.893 C=C(C)COc1cc(ncc1F)Br 34a_100009854642_100000748629 [0,3,0,0,0,0|1,0,0]=4 25662 B13R1.893 C=C(C)COc1cc(ncc1F)Cl 34a_100009851168_100000748629 [0,3,0,0,0,0|1,0,0]=4 25663 B13R1.893 C=C(C)COc1nc(ccc1Br)C 34a_100009817604_100000748629 [0,3,0,0,0,0|1,0,0]=4 25664 B13R1.893 C=C(C)COc1nc(ccc1F)Cl 34a_100010729010_100000748629 [0,3,0,0,0,0|1,0,0]=4 25665 B13R1.893 C=C(C)COc1nc(ccc1N)C 34a_100000687486_100000748629 [0,3,0,0,0,0|1,0,0]=4 25666 B13R1.893 C=C(C)CSc1cc(ccc1Br)Br 62a_100000748629_100011483371 [0,3,0,0,0,0|0,1,0]=4 25667 B13R1.893 C=C(C)CSc1cc(ccc1Br)Br 62a_100011483371_100000211660 [0,3,0,0,0,0|0,1,0]=4 25668 B13R1.893 C=C(C)CSc1cc(ccc1Br)C 62a_100000748629_100012353751 [0,3,0,0,0,0|0,1,0]=4 25669 B13R1.893 C=C(C)CSc1cc(ccc1Br)C 62a_100012353751_100000211660 [0,3,0,0,0,0|0,1,0]=4 25670 B13R1.893 C=C(C)CSc1cc(ccc1Br)Cl 62a_100000748629_100012339723 [0,3,0,0,0,0|0,1,0]=4 25671 B13R1.893 C=C(C)CSc1cc(ccc1Br)Cl 62a_100012339723_100000211660 [0,3,0,0,0,0|0,1,0]=4 25672 B13R1.893 C=C(C)CSc1cc(ccc1Br)F 62a_100000748629_100011217576 [0,3,0,0,0,0|0,1,0]=4 25673 B13R1.893 C=C(C)CSc1cc(ccc1Br)F 62a_100011217576_100000211660 [0,3,0,0,0,0|0,1,0]=4 25674 B13R1.893 C=C(C)CSc1cc(ccc1Br)N 62a_100000748629_100000750459 [0,3,0,0,0,0|0,1,0]=4 25675 B13R1.893 C=C(C)CSc1cc(ccc1Br)N 62a_100000750459_100000211660 [0,3,0,0,0,0|0,1,0]=4 25676 B13R1.893 C=C(C)CSc1cc(ccc1Br)O 62a_100000748629_100012339312 [0,3,0,0,0,0|0,1,0]=4 25677 B13R1.893 C=C(C)CSc1cc(ccc1Br)O 62a_100012339312_100000211660 [0,3,0,0,0,0|0,1,0]=4 25678 B13R1.893 C=C(C)CSc1cc(ccc1C)Br 62a_100000748629_100011344865 [0,3,0,0,0,0|0,1,0]=4 25679 B13R1.893 C=C(C)CSc1cc(ccc1C)Br 62a_100011344865_100000211660 [0,3,0,0,0,0|0,1,0]=4 25680 B13R1.893 C=C(C)CSc1cc(ccc1C)C 62a_100000210833_100000211660 [0,3,0,0,0,0|0,1,0]=4 25681 B13R1.893 C=C(C)CSc1cc(ccc1C)C 62a_100000748629_100000210833 [0,3,0,0,0,0|0,1,0]=4 25682 B13R1.893 C=C(C)CSc1cc(ccc1C)Cl 62a_100000748629_100011263213 [0,3,0,0,0,0|0,1,0]=4 25683 B13R1.893 C=C(C)CSc1cc(ccc1C)Cl 62a_100011263213_100000211660 [0,3,0,0,0,0|0,1,0]=4 25684 B13R1.893 C=C(C)CSc1cc(ccc1C)F 62a_100000748629_100011218078 [0,3,0,0,0,0|0,1,0]=4 25685 B13R1.893 C=C(C)CSc1cc(ccc1C)F 62a_100011218078_100000211660 [0,3,0,0,0,0|0,1,0]=4 25686 B13R1.893 C=C(C)CSc1cc(ccc1C)N 62a_100000736455_100000211660 [0,3,0,0,0,0|0,1,0]=4 25687 B13R1.893 C=C(C)CSc1cc(ccc1C)N 62a_100000748629_100000736455 [0,3,0,0,0,0|0,1,0]=4 25688 B13R1.893 C=C(C)CSc1cc(ccc1C)O 62a_100000748629_100011380479 [0,3,0,0,0,0|0,1,0]=4 25689 B13R1.893 C=C(C)CSc1cc(ccc1C)O 62a_100011380479_100000211660 [0,3,0,0,0,0|0,1,0]=4 25690 B13R1.893 C=C(C)CSc1cc(ccc1Cl)Br 62a_100000748629_100011772130 [0,3,0,0,0,0|0,1,0]=4 25691 B13R1.893 C=C(C)CSc1cc(ccc1Cl)Br 62a_100011772130_100000211660 [0,3,0,0,0,0|0,1,0]=4 25692 B13R1.893 C=C(C)CSc1cc(ccc1Cl)C 62a_100000748629_100012356289 [0,3,0,0,0,0|0,1,0]=4 25693 B13R1.893 C=C(C)CSc1cc(ccc1Cl)C 62a_100012356289_100000211660 [0,3,0,0,0,0|0,1,0]=4 25694 B13R1.893 C=C(C)CSc1cc(ccc1Cl)Cl 62a_100000707729_100000211660 [0,3,0,0,0,0|0,1,0]=4 25695 B13R1.893 C=C(C)CSc1cc(ccc1Cl)Cl 62a_100000748629_100000707729 [0,3,0,0,0,0|0,1,0]=4 25696 B13R1.893 C=C(C)CSc1cc(ccc1Cl)F 62a_100000748629_100011217299 [0,3,0,0,0,0|0,1,0]=4 25697 B13R1.893 C=C(C)CSc1cc(ccc1Cl)F 62a_100011217299_100000211660 [0,3,0,0,0,0|0,1,0]=4 25698 B13R1.893 C=C(C)CSc1cc(ccc1Cl)N 62a_100000748629_100012360549 [0,3,0,0,0,0|0,1,0]=4 25699 B13R1.893 C=C(C)CSc1cc(ccc1Cl)N 62a_100012360549_100000211660 [0,3,0,0,0,0|0,1,0]=4 25700 B13R1.893 C=C(C)CSc1cc(ccc1Cl)O 62a_100000049588_100000211660 [0,3,0,0,0,0|0,1,0]=4 25701 B13R1.893 C=C(C)CSc1cc(ccc1Cl)O 62a_100000748629_100000049588 [0,3,0,0,0,0|0,1,0]=4 25702 B13R1.893 C=C(C)CSc1cc(ccc1F)Br 62a_100000748629_100011217312 [0,3,0,0,0,0|0,1,0]=4 25703 B13R1.893 C=C(C)CSc1cc(ccc1F)Br 62a_100011217312_100000211660 [0,3,0,0,0,0|0,1,0]=4 25704 B13R1.893 C=C(C)CSc1cc(ccc1F)C 62a_100000736223_100000211660 [0,3,0,0,0,0|0,1,0]=4 25705 B13R1.893 C=C(C)CSc1cc(ccc1F)C 62a_100000748629_100000736223 [0,3,0,0,0,0|0,1,0]=4 25706 B13R1.893 C=C(C)CSc1cc(ccc1F)Cl 62a_100000748629_100011218116 [0,3,0,0,0,0|0,1,0]=4 25707 B13R1.893 C=C(C)CSc1cc(ccc1F)Cl 62a_100011218116_100000211660 [0,3,0,0,0,0|0,1,0]=4 25708 B13R1.893 C=C(C)CSc1cc(ccc1F)F 62a_100000748629_100011219198 [0,3,0,0,0,0|0,1,0]=4 25709 B13R1.893 C=C(C)CSc1cc(ccc1F)F 62a_100011219198_100000211660 [0,3,0,0,0,0|0,1,0]=4 25710 B13R1.893 C=C(C)CSc1cc(ccc1F)N 62a_100000748629_100000760356 [0,3,0,0,0,0|0,1,0]=4 25711 B13R1.893 C=C(C)CSc1cc(ccc1F)N 62a_100000760356_100000211660 [0,3,0,0,0,0|0,1,0]=4 25712 B13R1.893 C=C(C)CSc1cc(ccc1F)O 62a_100000693481_100000211660 [0,3,0,0,0,0|0,1,0]=4 25713 B13R1.893 C=C(C)CSc1cc(ccc1F)O 62a_100000748629_100000693481 [0,3,0,0,0,0|0,1,0]=4 25714 B13R1.893 C=C(C)CSc1cc(ccc1N)Br 62a_100000187925_100000211660 [0,3,0,0,0,0|0,1,0]=4 25715 B13R1.893 C=C(C)CSc1cc(ccc1N)Br 62a_100000748629_100000187925 [0,3,0,0,0,0|0,1,0]=4 25716 B13R1.893 C=C(C)CSc1cc(ccc1N)C 62a_100000748629_100011356834 [0,3,0,0,0,0|0,1,0]=4 25717 B13R1.893 C=C(C)CSc1cc(ccc1N)C 62a_100011356834_100000211660 [0,3,0,0,0,0|0,1,0]=4 25718 B13R1.893 C=C(C)CSc1cc(ccc1N)Cl 62a_100000748629_100000761889 [0,3,0,0,0,0|0,1,0]=4 25719 B13R1.893 C=C(C)CSc1cc(ccc1N)Cl 62a_100000761889_100000211660 [0,3,0,0,0,0|0,1,0]=4 25720 B13R1.893 C=C(C)CSc1cc(ccc1N)F 62a_100000748629_100000760547 [0,3,0,0,0,0|0,1,0]=4 25721 B13R1.893 C=C(C)CSc1cc(ccc1N)F 62a_100000760547_100000211660 [0,3,0,0,0,0|0,1,0]=4 25722 B13R1.893 C=C(C)CSc1cc(ccc1N)N 62a_100000748629_100011534242 [0,3,0,0,0,0|0,1,0]=4 25723 B13R1.893 C=C(C)CSc1cc(ccc1N)N 62a_100011534242_100000211660 [0,3,0,0,0,0|0,1,0]=4 25724 B13R1.893 C=C(C)CSc1cc(ccc1N)O 62a_100000748629_100012001276 [0,3,0,0,0,0|0,1,0]=4 25725 B13R1.893 C=C(C)CSc1cc(ccc1N)O 62a_100012001276_100000211660 [0,3,0,0,0,0|0,1,0]=4 25726 B13R1.893 C=C(C)CSc1cc(ccc1O)Br 62a_100000748629_100012355227 [0,3,0,0,0,0|0,1,0]=4 25727 B13R1.893 C=C(C)CSc1cc(ccc1O)Br 62a_100012355227_100000211660 [0,3,0,0,0,0|0,1,0]=4 25728 B13R1.893 C=C(C)CSc1cc(ccc1O)C 62a_100000748629_100000765521 [0,3,0,0,0,0|0,1,0]=4 25729 B13R1.893 C=C(C)CSc1cc(ccc1O)C 62a_100000765521_100000211660 [0,3,0,0,0,0|0,1,0]=4 25730 B13R1.893 C=C(C)CSc1cc(ccc1O)Cl 62a_100000748629_100011356953 [0,3,0,0,0,0|0,1,0]=4 25731 B13R1.893 C=C(C)CSc1cc(ccc1O)Cl 62a_100011356953_100000211660 [0,3,0,0,0,0|0,1,0]=4 25732 B13R1.893 C=C(C)CSc1cc(ccc1O)F 62a_100000211999_100000211660 [0,3,0,0,0,0|0,1,0]=4 25733 B13R1.893 C=C(C)CSc1cc(ccc1O)F 62a_100000748629_100000211999 [0,3,0,0,0,0|0,1,0]=4 25734 B13R1.893 C=C(C)CSc1cc(ccc1O)N 62a_100000748629_100011534360 [0,3,0,0,0,0|0,1,0]=4 25735 B13R1.893 C=C(C)CSc1cc(ccc1O)N 62a_100011534360_100000211660 [0,3,0,0,0,0|0,1,0]=4 25736 B13R1.893 C=C(C)CSc1cc(ccc1O)O 62a_100000748629_100009813629 [0,3,0,0,0,0|0,1,0]=4 25737 B13R1.893 C=C(F)CNc1cc(ccc1Br)Br 34a_100000737762_100009893438 [0,3,0,0,0,0|1,0,0]=4 25738 B13R1.893 C=C(F)CNc1cc(ccc1Br)C 34a_100000745044_100009893438 [0,3,0,0,0,0|1,0,0]=4 25739 B13R1.893 C=C(F)CNc1cc(ccc1Br)Cl 34a_100000687073_100009893438 [0,3,0,0,0,0|1,0,0]=4 25740 B13R1.893 C=C(F)CNc1cc(ccc1Br)F 34a_100000687223_100009893438 [0,3,0,0,0,0|1,0,0]=4 25741 B13R1.893 C=C(F)CNc1cc(ccc1Br)O 34a_100011999798_100009893438 [0,3,0,0,0,0|1,0,0]=4 25742 B13R1.893 C=C(F)CNc1cc(ccc1C)Br 34a_100000741167_100009893438 [0,3,0,0,0,0|1,0,0]=4 25743 B13R1.893 C=C(F)CNc1cc(ccc1C)Br 7a_100000741167_100000042424 [0,3,0,0,0,0|1,0,0]=4 25744 B13R1.893 C=C(F)CNc1cc(ccc1C)C 2230a_100000185781_100009893438 [0,3,0,0,0,0|1,0,0]=4 25745 B13R1.893 C=C(F)CNc1cc(ccc1C)C 34a_100000185781_100009893438 [0,3,0,0,0,0|1,0,0]=4 25746 B13R1.893 C=C(F)CNc1cc(ccc1C)C 7a_100000185781_100000042424 [0,3,0,0,0,0|1,0,0]=4 25747 B13R1.893 C=C(F)CNc1cc(ccc1C)Cl 34a_100000211374_100009893438 [0,3,0,0,0,0|1,0,0]=4 25748 B13R1.893 C=C(F)CNc1cc(ccc1C)Cl 7a_100000211374_100000042424 [0,3,0,0,0,0|1,0,0]=4 25749 B13R1.893 C=C(F)CNc1cc(ccc1C)F 34a_100000211107_100009893438 [0,3,0,0,0,0|1,0,0]=4 25750 B13R1.893 C=C(F)CNc1cc(ccc1C)F 7a_100000211107_100000042424 [0,3,0,0,0,0|1,0,0]=4 25751 B13R1.893 C=C(F)CNc1cc(ccc1C)I 7a_100000761890_100000042424 [0,3,0,0,0,0|1,0,0]=4 25752 B13R1.893 C=C(F)CNc1cc(ccc1C)O 34a_100011216113_100009893438 [0,3,0,0,0,0|1,0,0]=4 25753 B13R1.893 C=C(F)CNc1cc(ccc1Cl)Br 34a_100000750497_100009893438 [0,3,0,0,0,0|1,0,0]=4 25754 B13R1.893 C=C(F)CNc1cc(ccc1Cl)C 34a_100011215360_100009893438 [0,3,0,0,0,0|1,0,0]=4 25755 B13R1.893 C=C(F)CNc1cc(ccc1Cl)Cl 34a_100000184485_100009893438 [0,3,0,0,0,0|1,0,0]=4 25756 B13R1.893 C=C(F)CNc1cc(ccc1Cl)F 34a_100000751338_100009893438 [0,3,0,0,0,0|1,0,0]=4 25757 B13R1.893 C=C(F)CNc1cc(ccc1Cl)I 34a_200000761891_100009893438 [0,3,0,0,0,0|1,0,0]=4 25758 B13R1.893 C=C(F)CNc1cc(ccc1Cl)O 34a_100011934297_100009893438 [0,3,0,0,0,0|1,0,0]=4 25759 B13R1.893 C=C(F)CNc1cc(ccc1F)Br 34a_100000740924_100009893438 [0,3,0,0,0,0|1,0,0]=4 25760 B13R1.893 C=C(F)CNc1cc(ccc1F)C 34a_100000211285_100009893438 [0,3,0,0,0,0|1,0,0]=4 25761 B13R1.893 C=C(F)CNc1cc(ccc1F)Cl 34a_100000212115_100009893438 [0,3,0,0,0,0|1,0,0]=4 25762 B13R1.893 C=C(F)CNc1cc(ccc1F)F 34a_100000210742_100009893438 [0,3,0,0,0,0|1,0,0]=4 25763 B13R1.893 C=C(F)CNc1cc(ccc1F)I 34a_100011464823_100009893438 [0,3,0,0,0,0|1,0,0]=4 25764 B13R1.893 C=C(F)CNc1cc(ccc1F)O 34a_100012017239_100009893438 [0,3,0,0,0,0|1,0,0]=4 25765 B13R1.893 C=C(F)CNc1cc(ccc1I)Br 34a_100000743836_100009893438 [0,3,0,0,0,0|1,0,0]=4 25766 B13R1.893 C=C(F)CNc1cc(ccc1I)C 34a_100011216686_100009893438 [0,3,0,0,0,0|1,0,0]=4 25767 B13R1.893 C=C(F)CNc1cc(ccc1I)Cl 34a_100000761886_100009893438 [0,3,0,0,0,0|1,0,0]=4 25768 B13R1.893 C=C(F)CNc1cc(ccc1I)F 34a_100011218093_100009893438 [0,3,0,0,0,0|1,0,0]=4 25769 B13R1.893 C=C(F)CNc1cc(ccc1O)Br 34a_100000752626_100009893438 [0,3,0,0,0,0|1,0,0]=4 25770 B13R1.893 C=C(F)CNc1cc(ccc1O)C 34a_100011215204_100009893438 [0,3,0,0,0,0|1,0,0]=4 25771 B13R1.893 C=C(F)CNc1cc(ccc1O)Cl 34a_100000210500_100009893438 [0,3,0,0,0,0|1,0,0]=4 25772 B13R1.893 C=C(F)CNc1cc(ccc1O)F 34a_100000759472_100009893438 [0,3,0,0,0,0|1,0,0]=4 25773 B13R1.893 C=C(F)COc1cc(=O)[nH]cc1Cl 34a_100000069390_100009893438 [0,3,0,0,0,0|1,0,0]=4 25774 B13R1.893 C=C(F)COc1cc(ccc1Br)Br 34a_100011220040_100009893438 [0,3,0,0,0,0|0,0,0]=3 25775 B13R1.893 C=C(F)COc1cc(ccc1Br)Br 7a_100011220040_100000042424 [0,3,0,0,0,0|0,0,0]=3 25776 B13R1.893 C=C(F)COc1cc(ccc1Br)C 34a_100012002257_100009893438 [0,3,0,0,0,0|0,0,0]=3 25777 B13R1.893 C=C(F)COc1cc(ccc1Br)C 7a_100012002257_100000042424 [0,3,0,0,0,0|0,0,0]=3 25778 B13R1.893 C=C(F)COc1cc(ccc1Br)Cl 34a_100012339455_100009893438 [0,3,0,0,0,0|0,0,0]=3 25779 B13R1.893 C=C(F)COc1cc(ccc1Br)Cl 7a_100012339455_100000042424 [0,3,0,0,0,0|0,0,0]=3 25780 B13R1.893 C=C(F)COc1cc(ccc1Br)F 34a_100000690578_100009893438 [0,3,0,0,0,0|0,0,0]=3 25781 B13R1.893 C=C(F)COc1cc(ccc1Br)F 7a_100000690578_100000042424 [0,3,0,0,0,0|0,0,0]=3 25782 B13R1.893 C=C(F)COc1cc(ccc1Br)I 34a_100012356990_100009893438 [0,3,0,0,0,0|0,0,0]=3 25783 B13R1.893 C=C(F)COc1cc(ccc1Br)I 7a_100012356990_100000042424 [0,3,0,0,0,0|0,0,0]=3 25784 B13R1.893 C=C(F)COc1cc(ccc1C)Br 34a_100000685420_100009893438 [0,3,0,0,0,0|0,0,0]=3 25785 B13R1.893 C=C(F)COc1cc(ccc1C)Br 7a_100000685420_100000042424 [0,3,0,0,0,0|0,0,0]=3 25786 B13R1.893 C=C(F)COc1cc(ccc1C)C 34a_100000210931_100009893438 [0,3,0,0,0,0|0,0,0]=3 25787 B13R1.893 C=C(F)COc1cc(ccc1C)C 7a_100000210931_100000042424 [0,3,0,0,0,0|0,0,0]=3 25788 B13R1.893 C=C(F)COc1cc(ccc1C)Cl 34a_100000756515_100009893438 [0,3,0,0,0,0|0,0,0]=3 25789 B13R1.893 C=C(F)COc1cc(ccc1C)Cl 7a_100000756515_100000042424 [0,3,0,0,0,0|0,0,0]=3 25790 B13R1.893 C=C(F)COc1cc(ccc1C)F 34a_100000690566_100009893438 [0,3,0,0,0,0|0,0,0]=3 25791 B13R1.893 C=C(F)COc1cc(ccc1C)F 7a_100000690566_100000042424 [0,3,0,0,0,0|0,0,0]=3 25792 B13R1.893 C=C(F)COc1cc(ccc1C)I 7a_100000766334_100000042424 [0,3,0,0,0,0|0,0,0]=3 25793 B13R1.893 C=C(F)COc1cc(ccc1C)N 34a_100000759471_100009893438 [0,3,0,0,0,0|0,0,0]=3 25794 B13R1.893 C=C(F)COc1cc(ccc1C)N 7a_100000759471_100000042424 [0,3,0,0,0,0|0,0,0]=3 25795 B13R1.893 C=C(F)COc1cc(ccc1Cl)Br 34a_100000738945_100009893438 [0,3,0,0,0,0|0,0,0]=3 25796 B13R1.893 C=C(F)COc1cc(ccc1Cl)Br 7a_100000738945_100000042424 [0,3,0,0,0,0|0,0,0]=3 25797 B13R1.893 C=C(F)COc1cc(ccc1Cl)C 34a_100000211493_100009893438 [0,3,0,0,0,0|0,0,0]=3 25798 B13R1.893 C=C(F)COc1cc(ccc1Cl)C 7a_100000211493_100000042424 [0,3,0,0,0,0|0,0,0]=3 25799 B13R1.893 C=C(F)COc1cc(ccc1Cl)Cl 34a_100000211422_100009893438 [0,3,0,0,0,0|0,0,0]=3 25800 B13R1.893 C=C(F)COc1cc(ccc1Cl)Cl 7a_100000211422_100000042424 [0,3,0,0,0,0|0,0,0]=3 25801 B13R1.893 C=C(F)COc1cc(ccc1Cl)F 34a_100000692107_100009893438 [0,3,0,0,0,0|0,0,0]=3 25802 B13R1.893 C=C(F)COc1cc(ccc1Cl)F 7a_100000692107_100000042424 [0,3,0,0,0,0|0,0,0]=3 25803 B13R1.893 C=C(F)COc1cc(ccc1Cl)I 34a_100011356854_100009893438 [0,3,0,0,0,0|0,0,0]=3 25804 B13R1.893 C=C(F)COc1cc(ccc1Cl)I 7a_100011356854_100000042424 [0,3,0,0,0,0|0,0,0]=3 25805 B13R1.893 C=C(F)COc1cc(ccc1Cl)N 34a_100011934209_100009893438 [0,3,0,0,0,0|0,0,0]=3 25806 B13R1.893 C=C(F)COc1cc(ccc1F)Br 34a_100000686035_100009893438 [0,3,0,0,0,0|0,0,0]=3 25807 B13R1.893 C=C(F)COc1cc(ccc1F)Br 7a_100000686035_100000042424 [0,3,0,0,0,0|0,0,0]=3 25808 B13R1.893 C=C(F)COc1cc(ccc1F)C 34a_100000759540_100009893438 [0,3,0,0,0,0|0,0,0]=3 25809 B13R1.893 C=C(F)COc1cc(ccc1F)C 7a_100000759540_100000042424 [0,3,0,0,0,0|0,0,0]=3 25810 B13R1.893 C=C(F)COc1cc(ccc1F)Cl 34a_100000757397_100009893438 [0,3,0,0,0,0|0,0,0]=3 25811 B13R1.893 C=C(F)COc1cc(ccc1F)Cl 7a_100000757397_100000042424 [0,3,0,0,0,0|0,0,0]=3 25812 B13R1.893 C=C(F)COc1cc(ccc1F)F 34a_100000752141_100009893438 [0,3,0,0,0,0|0,0,0]=3 25813 B13R1.893 C=C(F)COc1cc(ccc1F)F 7a_100000752141_100000042424 [0,3,0,0,0,0|0,0,0]=3 25814 B13R1.893 C=C(F)COc1cc(ccc1F)I 34a_100009958187_100009893438 [0,3,0,0,0,0|0,0,0]=3 25815 B13R1.893 C=C(F)COc1cc(ccc1F)I 7a_100009958187_100000042424 [0,3,0,0,0,0|0,0,0]=3 25816 B13R1.893 C=C(F)COc1cc(ccc1F)N 34a_100012017398_100009893438 [0,3,0,0,0,0|0,0,0]=3 25817 B13R1.893 C=C(F)COc1cc(ccc1F)N 7a_100012017398_100000042424 [0,3,0,0,0,0|0,0,0]=3 25818 B13R1.893 C=C(F)COc1cc(ccc1I)Br 34a_100012344904_100009893438 [0,3,0,0,0,0|0,0,0]=3 25819 B13R1.893 C=C(F)COc1cc(ccc1I)Br 7a_100012344904_100000042424 [0,3,0,0,0,0|0,0,0]=3 25820 B13R1.893 C=C(F)COc1cc(ccc1I)Cl 34a_100000050036_100009893438 [0,3,0,0,0,0|0,0,0]=3 25821 B13R1.893 C=C(F)COc1cc(ccc1I)Cl 7a_100000050036_100000042424 [0,3,0,0,0,0|0,0,0]=3 25822 B13R1.893 C=C(F)COc1cc(ccc1I)F 34a_100010084537_100009893438 [0,3,0,0,0,0|0,0,0]=3 25823 B13R1.893 C=C(F)COc1cc(ccc1I)F 7a_100010084537_100000042424 [0,3,0,0,0,0|0,0,0]=3 25824 B13R1.893 C=C(F)COc1cc(ccc1N)Br 34a_100000739049_100009893438 [0,3,0,0,0,0|0,0,0]=3 25825 B13R1.893 C=C(F)COc1cc(ccc1N)Br 7a_100000739049_100000042424 [0,3,0,0,0,0|0,0,0]=3 25826 B13R1.893 C=C(F)COc1cc(ccc1N)C 34a_100000211527_100009893438 [0,3,0,0,0,0|0,0,0]=3 25827 B13R1.893 C=C(F)COc1cc(ccc1N)C 7a_100000211527_100000042424 [0,3,0,0,0,0|0,0,0]=3 25828 B13R1.893 C=C(F)COc1cc(ccc1N)Cl 34a_100000185728_100009893438 [0,3,0,0,0,0|0,0,0]=3 25829 B13R1.893 C=C(F)COc1cc(ccc1N)Cl 7a_100000185728_100000042424 [0,3,0,0,0,0|0,0,0]=3 25830 B13R1.893 C=C(F)COc1cc(ccc1N)F 34a_100000753323_100009893438 [0,3,0,0,0,0|0,0,0]=3 25831 B13R1.893 C=C(F)COc1cc(ccc1N)F 7a_100000753323_100000042424 [0,3,0,0,0,0|0,0,0]=3 25832 B13R1.893 C=C(F)COc1cc(ccc1N)I 34a_100000057187_100009893438 [0,3,0,0,0,0|0,0,0]=3 25833 B13R1.893 C=C(F)COc1cc(ccc1N)I 7a_100000057187_100000042424 [0,3,0,0,0,0|0,0,0]=3 25834 B13R1.893 C=C(F)COc1cc(ccc1N)N 34a_100025717382_100009893438 [0,3,0,0,0,0|0,0,0]=3 25835 B13R1.893 C=C(F)COc1cc(cnc1Br)Cl 34a_100000697010_100009893438 [0,3,0,0,0,0|1,0,0]=4 25836 B13R1.893 C=C(F)COc1cc(cnc1Br)Cl 7a_100000697010_100000042424 [0,3,0,0,0,0|1,0,0]=4 25837 B13R1.893 C=C(F)COc1cc(cnc1Br)F 34a_100009820119_100009893438 [0,3,0,0,0,0|1,0,0]=4 25838 B13R1.893 C=C(F)COc1cc(cnc1Br)F 7a_100009820119_100000042424 [0,3,0,0,0,0|1,0,0]=4 25839 B13R1.893 C=C(F)COc1cc(cnc1C)Br 34a_100009864810_100009893438 [0,3,0,0,0,0|1,0,0]=4 25840 B13R1.893 C=C(F)COc1cc(cnc1C)Br 7a_100009864810_100000042424 [0,3,0,0,0,0|1,0,0]=4 25841 B13R1.893 C=C(F)COc1cc(cnc1Cl)Br 34a_100012354860_100009893438 [0,3,0,0,0,0|1,0,0]=4 25842 B13R1.893 C=C(F)COc1cc(cnc1Cl)Br 7a_100012354860_100000042424 [0,3,0,0,0,0|1,0,0]=4 25843 B13R1.893 C=C(F)COc1cc(cnc1Cl)C 34a_100012000487_100009893438 [0,3,0,0,0,0|1,0,0]=4 25844 B13R1.893 C=C(F)COc1cc(cnc1Cl)C 7a_100012000487_100000042424 [0,3,0,0,0,0|1,0,0]=4 25845 B13R1.893 C=C(F)COc1cc(cnc1Cl)F 34a_100000079967_100009893438 [0,3,0,0,0,0|1,0,0]=4 25846 B13R1.893 C=C(F)COc1cc(cnc1Cl)F 7a_100000079967_100000042424 [0,3,0,0,0,0|1,0,0]=4 25847 B13R1.893 C=C(F)COc1cc(cnc1F)Br 34a_100009819871_100009893438 [0,3,0,0,0,0|1,0,0]=4 25848 B13R1.893 C=C(F)COc1cc(cnc1F)Br 7a_100009819871_100000042424 [0,3,0,0,0,0|1,0,0]=4 25849 B13R1.893 C=C(F)COc1cc(cnc1F)C 34a_100009849810_100009893438 [0,3,0,0,0,0|1,0,0]=4 25850 B13R1.893 C=C(F)COc1cc(cnc1F)C 7a_100009849810_100000042424 [0,3,0,0,0,0|1,0,0]=4 25851 B13R1.893 C=C(F)COc1cc(cnc1F)Cl 34a_100000094372_100009893438 [0,3,0,0,0,0|1,0,0]=4 25852 B13R1.893 C=C(F)COc1cc(cnc1F)Cl 7a_100000094372_100000042424 [0,3,0,0,0,0|1,0,0]=4 25853 B13R1.893 C=C(F)COc1cc(cnc1I)Br 34a_100010210634_100009893438 [0,3,0,0,0,0|1,0,0]=4 25854 B13R1.893 C=C(F)COc1cc(cnc1I)Br 7a_100010210634_100000042424 [0,3,0,0,0,0|1,0,0]=4 25855 B13R1.893 C=C(F)COc1cc(cnc1I)Cl 34a_100010233512_100009893438 [0,3,0,0,0,0|1,0,0]=4 25856 B13R1.893 C=C(F)COc1cc(cnc1I)Cl 7a_100010233512_100000042424 [0,3,0,0,0,0|1,0,0]=4 25857 B13R1.893 C=C(F)COc1cc(cnc1I)F 34a_100015624800_100009893438 [0,3,0,0,0,0|1,0,0]=4 25858 B13R1.893 C=C(F)COc1cc(cnc1I)F 7a_100015624800_100000042424 [0,3,0,0,0,0|1,0,0]=4 25859 B13R1.893 C=C(F)COc1cc(cnc1N)Br 34a_100009819042_100009893438 [0,3,0,0,0,0|1,0,0]=4 25860 B13R1.893 C=C(F)COc1cc(cnc1N)Br 7a_100009819042_100000042424 [0,3,0,0,0,0|1,0,0]=4 25861 B13R1.893 C=C(F)COc1cc(cnc1N)Cl 34a_100000123674_100009893438 [0,3,0,0,0,0|1,0,0]=4 25862 B13R1.893 C=C(F)COc1cc(cnc1N)Cl 7a_100000123674_100000042424 [0,3,0,0,0,0|1,0,0]=4 25863 B13R1.893 C=C(F)COc1cc(cnc1N)F 34a_100000094369_100009893438 [0,3,0,0,0,0|1,0,0]=4 25864 B13R1.893 C=C(F)COc1cc(cnc1N)F 7a_100000094369_100000042424 [0,3,0,0,0,0|1,0,0]=4 25865 B13R1.893 C=C(F)COc1cc(ncc1Br)Br 34a_100010235016_100009893438 [0,3,0,0,0,0|1,0,0]=4 25866 B13R1.893 C=C(F)COc1cc(ncc1Br)C 34a_100011016184_100009893438 [0,3,0,0,0,0|1,0,0]=4 25867 B13R1.893 C=C(F)COc1cc(ncc1Br)Cl 34a_100010173860_100009893438 [0,3,0,0,0,0|1,0,0]=4 25868 B13R1.893 C=C(F)COc1cc(ncc1C)Br 34a_100000704368_100009893438 [0,3,0,0,0,0|1,0,0]=4 25869 B13R1.893 C=C(F)COc1cc(ncc1C)Br 7a_100000704368_100000042424 [0,3,0,0,0,0|1,0,0]=4 25870 B13R1.893 C=C(F)COc1cc(ncc1Cl)Br 34a_100010173861_100009893438 [0,3,0,0,0,0|1,0,0]=4 25871 B13R1.893 C=C(F)COc1cc(ncc1F)Br 34a_100009854642_100009893438 [0,3,0,0,0,0|1,0,0]=4 25872 B13R1.893 C=C(F)COc1cc(ncc1F)Cl 34a_100009851168_100009893438 [0,3,0,0,0,0|1,0,0]=4 25873 B13R1.893 C=C(F)COc1nc(ccc1Br)C 34a_100009817604_100009893438 [0,3,0,0,0,0|1,0,0]=4 25874 B13R1.893 C=C(F)COc1nc(ccc1F)Cl 34a_100010729010_100009893438 [0,3,0,0,0,0|1,0,0]=4 25875 B13R1.893 C=C(F)COc1nc(ccc1N)C 34a_100000687486_100009893438 [0,3,0,0,0,0|1,0,0]=4 25876 B13R1.893 C=C(F)CSc1cc(ccc1Br)Br 62a_100000042424_100011483371 [0,3,0,0,0,0|0,1,0]=4 25877 B13R1.893 C=C(F)CSc1cc(ccc1Br)Br 62a_100011483371_100000042424 [0,3,0,0,0,0|0,1,0]=4 25878 B13R1.893 C=C(F)CSc1cc(ccc1Br)C 62a_100000042424_100012353751 [0,3,0,0,0,0|0,1,0]=4 25879 B13R1.893 C=C(F)CSc1cc(ccc1Br)C 62a_100012353751_100000042424 [0,3,0,0,0,0|0,1,0]=4 25880 B13R1.893 C=C(F)CSc1cc(ccc1Br)Cl 62a_100000042424_100012339723 [0,3,0,0,0,0|0,1,0]=4 25881 B13R1.893 C=C(F)CSc1cc(ccc1Br)Cl 62a_100012339723_100000042424 [0,3,0,0,0,0|0,1,0]=4 25882 B13R1.893 C=C(F)CSc1cc(ccc1Br)F 62a_100000042424_100011217576 [0,3,0,0,0,0|0,1,0]=4 25883 B13R1.893 C=C(F)CSc1cc(ccc1Br)F 62a_100011217576_100000042424 [0,3,0,0,0,0|0,1,0]=4 25884 B13R1.893 C=C(F)CSc1cc(ccc1Br)N 62a_100000042424_100000750459 [0,3,0,0,0,0|0,1,0]=4 25885 B13R1.893 C=C(F)CSc1cc(ccc1Br)N 62a_100000750459_100000042424 [0,3,0,0,0,0|0,1,0]=4 25886 B13R1.893 C=C(F)CSc1cc(ccc1Br)O 62a_100000042424_100012339312 [0,3,0,0,0,0|0,1,0]=4 25887 B13R1.893 C=C(F)CSc1cc(ccc1Br)O 62a_100012339312_100000042424 [0,3,0,0,0,0|0,1,0]=4 25888 B13R1.893 C=C(F)CSc1cc(ccc1C)Br 62a_100000042424_100011344865 [0,3,0,0,0,0|0,1,0]=4 25889 B13R1.893 C=C(F)CSc1cc(ccc1C)Br 62a_100011344865_100000042424 [0,3,0,0,0,0|0,1,0]=4 25890 B13R1.893 C=C(F)CSc1cc(ccc1C)C 62a_100000042424_100000210833 [0,3,0,0,0,0|0,1,0]=4 25891 B13R1.893 C=C(F)CSc1cc(ccc1C)C 62a_100000210833_100000042424 [0,3,0,0,0,0|0,1,0]=4 25892 B13R1.893 C=C(F)CSc1cc(ccc1C)Cl 62a_100000042424_100011263213 [0,3,0,0,0,0|0,1,0]=4 25893 B13R1.893 C=C(F)CSc1cc(ccc1C)Cl 62a_100011263213_100000042424 [0,3,0,0,0,0|0,1,0]=4 25894 B13R1.893 C=C(F)CSc1cc(ccc1C)F 62a_100000042424_100011218078 [0,3,0,0,0,0|0,1,0]=4 25895 B13R1.893 C=C(F)CSc1cc(ccc1C)F 62a_100011218078_100000042424 [0,3,0,0,0,0|0,1,0]=4 25896 B13R1.893 C=C(F)CSc1cc(ccc1C)N 62a_100000042424_100000736455 [0,3,0,0,0,0|0,1,0]=4 25897 B13R1.893 C=C(F)CSc1cc(ccc1C)N 62a_100000736455_100000042424 [0,3,0,0,0,0|0,1,0]=4 25898 B13R1.893 C=C(F)CSc1cc(ccc1C)O 62a_100000042424_100011380479 [0,3,0,0,0,0|0,1,0]=4 25899 B13R1.893 C=C(F)CSc1cc(ccc1C)O 62a_100011380479_100000042424 [0,3,0,0,0,0|0,1,0]=4 25900 B13R1.893 C=C(F)CSc1cc(ccc1Cl)Br 62a_100000042424_100011772130 [0,3,0,0,0,0|0,1,0]=4 25901 B13R1.893 C=C(F)CSc1cc(ccc1Cl)Br 62a_100011772130_100000042424 [0,3,0,0,0,0|0,1,0]=4 25902 B13R1.893 C=C(F)CSc1cc(ccc1Cl)C 62a_100000042424_100012356289 [0,3,0,0,0,0|0,1,0]=4 25903 B13R1.893 C=C(F)CSc1cc(ccc1Cl)C 62a_100012356289_100000042424 [0,3,0,0,0,0|0,1,0]=4 25904 B13R1.893 C=C(F)CSc1cc(ccc1Cl)Cl 62a_100000042424_100000707729 [0,3,0,0,0,0|0,1,0]=4 25905 B13R1.893 C=C(F)CSc1cc(ccc1Cl)Cl 62a_100000707729_100000042424 [0,3,0,0,0,0|0,1,0]=4 25906 B13R1.893 C=C(F)CSc1cc(ccc1Cl)F 62a_100000042424_100011217299 [0,3,0,0,0,0|0,1,0]=4 25907 B13R1.893 C=C(F)CSc1cc(ccc1Cl)F 62a_100011217299_100000042424 [0,3,0,0,0,0|0,1,0]=4 25908 B13R1.893 C=C(F)CSc1cc(ccc1Cl)N 62a_100000042424_100012360549 [0,3,0,0,0,0|0,1,0]=4 25909 B13R1.893 C=C(F)CSc1cc(ccc1Cl)N 62a_100012360549_100000042424 [0,3,0,0,0,0|0,1,0]=4 25910 B13R1.893 C=C(F)CSc1cc(ccc1Cl)O 62a_100000042424_100000049588 [0,3,0,0,0,0|0,1,0]=4 25911 B13R1.893 C=C(F)CSc1cc(ccc1Cl)O 62a_100000049588_100000042424 [0,3,0,0,0,0|0,1,0]=4 25912 B13R1.893 C=C(F)CSc1cc(ccc1F)Br 62a_100000042424_100011217312 [0,3,0,0,0,0|0,1,0]=4 25913 B13R1.893 C=C(F)CSc1cc(ccc1F)Br 62a_100011217312_100000042424 [0,3,0,0,0,0|0,1,0]=4 25914 B13R1.893 C=C(F)CSc1cc(ccc1F)C 62a_100000042424_100000736223 [0,3,0,0,0,0|0,1,0]=4 25915 B13R1.893 C=C(F)CSc1cc(ccc1F)C 62a_100000736223_100000042424 [0,3,0,0,0,0|0,1,0]=4 25916 B13R1.893 C=C(F)CSc1cc(ccc1F)Cl 62a_100000042424_100011218116 [0,3,0,0,0,0|0,1,0]=4 25917 B13R1.893 C=C(F)CSc1cc(ccc1F)Cl 62a_100011218116_100000042424 [0,3,0,0,0,0|0,1,0]=4 25918 B13R1.893 C=C(F)CSc1cc(ccc1F)F 62a_100000042424_100011219198 [0,3,0,0,0,0|0,1,0]=4 25919 B13R1.893 C=C(F)CSc1cc(ccc1F)F 62a_100011219198_100000042424 [0,3,0,0,0,0|0,1,0]=4 25920 B13R1.893 C=C(F)CSc1cc(ccc1F)N 62a_100000042424_100000760356 [0,3,0,0,0,0|0,1,0]=4 25921 B13R1.893 C=C(F)CSc1cc(ccc1F)N 62a_100000760356_100000042424 [0,3,0,0,0,0|0,1,0]=4 25922 B13R1.893 C=C(F)CSc1cc(ccc1F)O 62a_100000042424_100000693481 [0,3,0,0,0,0|0,1,0]=4 25923 B13R1.893 C=C(F)CSc1cc(ccc1F)O 62a_100000693481_100000042424 [0,3,0,0,0,0|0,1,0]=4 25924 B13R1.893 C=C(F)CSc1cc(ccc1N)Br 62a_100000042424_100000187925 [0,3,0,0,0,0|0,1,0]=4 25925 B13R1.893 C=C(F)CSc1cc(ccc1N)Br 62a_100000187925_100000042424 [0,3,0,0,0,0|0,1,0]=4 25926 B13R1.893 C=C(F)CSc1cc(ccc1N)C 62a_100000042424_100011356834 [0,3,0,0,0,0|0,1,0]=4 25927 B13R1.893 C=C(F)CSc1cc(ccc1N)C 62a_100011356834_100000042424 [0,3,0,0,0,0|0,1,0]=4 25928 B13R1.893 C=C(F)CSc1cc(ccc1N)Cl 62a_100000042424_100000761889 [0,3,0,0,0,0|0,1,0]=4 25929 B13R1.893 C=C(F)CSc1cc(ccc1N)Cl 62a_100000761889_100000042424 [0,3,0,0,0,0|0,1,0]=4 25930 B13R1.893 C=C(F)CSc1cc(ccc1N)F 62a_100000042424_100000760547 [0,3,0,0,0,0|0,1,0]=4 25931 B13R1.893 C=C(F)CSc1cc(ccc1N)F 62a_100000760547_100000042424 [0,3,0,0,0,0|0,1,0]=4 25932 B13R1.893 C=C(F)CSc1cc(ccc1N)N 62a_100000042424_100011534242 [0,3,0,0,0,0|0,1,0]=4 25933 B13R1.893 C=C(F)CSc1cc(ccc1N)N 62a_100011534242_100000042424 [0,3,0,0,0,0|0,1,0]=4 25934 B13R1.893 C=C(F)CSc1cc(ccc1N)O 62a_100000042424_100012001276 [0,3,0,0,0,0|0,1,0]=4 25935 B13R1.893 C=C(F)CSc1cc(ccc1N)O 62a_100012001276_100000042424 [0,3,0,0,0,0|0,1,0]=4 25936 B13R1.893 C=C(F)CSc1cc(ccc1O)Br 62a_100000042424_100012355227 [0,3,0,0,0,0|0,1,0]=4 25937 B13R1.893 C=C(F)CSc1cc(ccc1O)Br 62a_100012355227_100000042424 [0,3,0,0,0,0|0,1,0]=4 25938 B13R1.893 C=C(F)CSc1cc(ccc1O)C 62a_100000042424_100000765521 [0,3,0,0,0,0|0,1,0]=4 25939 B13R1.893 C=C(F)CSc1cc(ccc1O)C 62a_100000765521_100000042424 [0,3,0,0,0,0|0,1,0]=4 25940 B13R1.893 C=C(F)CSc1cc(ccc1O)Cl 62a_100000042424_100011356953 [0,3,0,0,0,0|0,1,0]=4 25941 B13R1.893 C=C(F)CSc1cc(ccc1O)Cl 62a_100011356953_100000042424 [0,3,0,0,0,0|0,1,0]=4 25942 B13R1.893 C=C(F)CSc1cc(ccc1O)F 62a_100000042424_100000211999 [0,3,0,0,0,0|0,1,0]=4 25943 B13R1.893 C=C(F)CSc1cc(ccc1O)F 62a_100000211999_100000042424 [0,3,0,0,0,0|0,1,0]=4 25944 B13R1.893 C=C(F)CSc1cc(ccc1O)N 62a_100000042424_100011534360 [0,3,0,0,0,0|0,1,0]=4 25945 B13R1.893 C=C(F)CSc1cc(ccc1O)N 62a_100011534360_100000042424 [0,3,0,0,0,0|0,1,0]=4 25946 B13R1.893 C=C(F)CSc1cc(ccc1O)O 62a_100000042424_100009813629 [0,3,0,0,0,0|0,1,0]=4 25947 B13R1.893 CC(=O)COc1cc(ccc1Br)Cl 1458a_100015481456_200000210301 [0,3,0,0,0,0|0,0,1]=4 25948 B13R1.893 CC(=O)COc1cc(ccc1C)C 1458a_100000182428_200000210301 [0,3,0,0,0,0|0,0,1]=4 25949 B13R1.893 CC(=O)COc1cc(ccc1Cl)C 1458a_100000183693_200000210301 [0,3,0,0,0,0|0,0,1]=4 25950 B13R1.893 CC(=O)COc1cc(ccc1Cl)Cl 1458a_100000187393_200000210301 [0,3,0,0,0,0|0,0,1]=4 25951 B13R1.893 CC(=O)COc1cc(ccc1F)F 1458a_100000752474_200000210301 [0,3,0,0,0,0|0,0,1]=4 25952 B13R1.893 Cc1ccc(c(c1)OCC(=O)N)Br 34a_100012002257_100000187820 [0,3,0,0,0,0|1,0,0]=4 25953 B13R1.893 Cc1ccc(c(c1)OCC(=O)N)Br 7a_100012002257_100000187820 [0,3,0,0,0,0|1,0,0]=4 25954 B13R1.893 Cc1ccc(c(c1)OCC(=O)N)C 34a_100000210931_100000187820 [0,3,0,0,0,0|1,0,0]=4 25955 B13R1.893 Cc1ccc(c(c1)OCC(=O)N)C 7a_100000210931_100000187820 [0,3,0,0,0,0|1,0,0]=4 25956 B13R1.893 Cc1ccc(c(c1)OCC(=O)N)Cl 34a_100000211493_100000187820 [0,3,0,0,0,0|1,0,0]=4 25957 B13R1.893 Cc1ccc(c(c1)OCC(=O)N)Cl 7a_100000211493_100000187820 [0,3,0,0,0,0|1,0,0]=4 25958 B13R1.893 Cc1ccc(c(c1)OCC(=O)N)F 34a_100000759540_100000187820 [0,3,0,0,0,0|1,0,0]=4 25959 B13R1.893 Cc1ccc(c(c1)OCC(=O)N)F 7a_100000759540_100000187820 [0,3,0,0,0,0|1,0,0]=4 25960 B13R1.893 Cc1ccc(c(c1)OCC(=O)N)N 34a_100000211527_100000187820 [0,3,0,0,0,0|1,0,0]=4 25961 B13R1.893 Cc1ccc(c(c1)OCC(=O)N)N 7a_100000211527_100000187820 [0,3,0,0,0,0|1,0,0]=4 25962 B13R1.893 Cc1ccc(c(c1)OCC(=O)[13CH3])C 1458a_100000182428_200025704644 [0,3,0,0,0,0|0,0,1]=4 25963 B13R1.893 Cc1ccc(c(c1)OCC(=O)[13CH3])Cl 1458a_100000183693_200025704644 [0,3,0,0,0,0|0,0,1]=4 25964 B13R1.893 Cc1ccc(c(c1)OCC(=O)[O-])Br 34a_100012002257_100020667443 [0,3,0,0,0,0|1,0,0]=4 25965 B13R1.893 Cc1ccc(c(c1)OCC(=O)[O-])C 34a_100000210931_100020667443 [0,3,0,0,0,0|1,0,0]=4 25966 B13R1.893 Cc1ccc(c(c1)OCC(=O)[O-])Cl 34a_100000211493_100020667443 [0,3,0,0,0,0|1,0,0]=4 25967 B13R1.893 Cc1ccc(c(c1)OCC(=O)[O-])F 34a_100000759540_100020667443 [0,3,0,0,0,0|1,0,0]=4 25968 B13R1.893 Cc1ccc(c(c1)OCC(=O)[O-])N 34a_100000211527_100020667443 [0,3,0,0,0,0|1,0,0]=4 25969 B13R1.893 Cc1ccc(cc1OCC(=O)N)Br 34a_100000685420_100000187820 [0,3,0,0,0,0|1,0,0]=4 25970 B13R1.893 Cc1ccc(cc1OCC(=O)N)Br 7a_100000685420_100000187820 [0,3,0,0,0,0|1,0,0]=4 25971 B13R1.893 Cc1ccc(cc1OCC(=O)N)Cl 34a_100000756515_100000187820 [0,3,0,0,0,0|1,0,0]=4 25972 B13R1.893 Cc1ccc(cc1OCC(=O)N)Cl 7a_100000756515_100000187820 [0,3,0,0,0,0|1,0,0]=4 25973 B13R1.893 Cc1ccc(cc1OCC(=O)N)F 34a_100000690566_100000187820 [0,3,0,0,0,0|1,0,0]=4 25974 B13R1.893 Cc1ccc(cc1OCC(=O)N)F 7a_100000690566_100000187820 [0,3,0,0,0,0|1,0,0]=4 25975 B13R1.893 Cc1ccc(cc1OCC(=O)N)I 7a_100000766334_100000187820 [0,3,0,0,0,0|1,0,0]=4 25976 B13R1.893 Cc1ccc(cc1OCC(=O)N)N 34a_100000759471_100000187820 [0,3,0,0,0,0|1,0,0]=4 25977 B13R1.893 Cc1ccc(cc1OCC(=O)N)N 7a_100000759471_100000187820 [0,3,0,0,0,0|1,0,0]=4 25978 B13R1.893 Cc1ccc(cc1OCC(=O)[O-])Br 34a_100000685420_100020667443 [0,3,0,0,0,0|1,0,0]=4 25979 B13R1.893 Cc1ccc(cc1OCC(=O)[O-])Cl 34a_100000756515_100020667443 [0,3,0,0,0,0|1,0,0]=4 25980 B13R1.893 Cc1ccc(cc1OCC(=O)[O-])F 34a_100000690566_100020667443 [0,3,0,0,0,0|1,0,0]=4 25981 B13R1.893 Cc1ccc(cc1OCC(=O)[O-])N 34a_100000759471_100020667443 [0,3,0,0,0,0|1,0,0]=4 25982 B13R1.893 NC(=O)COc1cc(ccc1Br)Br 34a_100011220040_100000187820 [0,3,0,0,0,0|1,0,0]=4 25983 B13R1.893 NC(=O)COc1cc(ccc1Br)Br 7a_100011220040_100000187820 [0,3,0,0,0,0|1,0,0]=4 25984 B13R1.893 NC(=O)COc1cc(ccc1Br)Cl 34a_100012339455_100000187820 [0,3,0,0,0,0|1,0,0]=4 25985 B13R1.893 NC(=O)COc1cc(ccc1Br)Cl 7a_100012339455_100000187820 [0,3,0,0,0,0|1,0,0]=4 25986 B13R1.893 NC(=O)COc1cc(ccc1Br)F 34a_100000690578_100000187820 [0,3,0,0,0,0|1,0,0]=4 25987 B13R1.893 NC(=O)COc1cc(ccc1Br)F 7a_100000690578_100000187820 [0,3,0,0,0,0|1,0,0]=4 25988 B13R1.893 NC(=O)COc1cc(ccc1Br)I 34a_100012356990_100000187820 [0,3,0,0,0,0|1,0,0]=4 25989 B13R1.893 NC(=O)COc1cc(ccc1Br)I 7a_100012356990_100000187820 [0,3,0,0,0,0|1,0,0]=4 25990 B13R1.893 NC(=O)COc1cc(ccc1Cl)Br 34a_100000738945_100000187820 [0,3,0,0,0,0|1,0,0]=4 25991 B13R1.893 NC(=O)COc1cc(ccc1Cl)Br 7a_100000738945_100000187820 [0,3,0,0,0,0|1,0,0]=4 25992 B13R1.893 NC(=O)COc1cc(ccc1Cl)Cl 34a_100000211422_100000187820 [0,3,0,0,0,0|1,0,0]=4 25993 B13R1.893 NC(=O)COc1cc(ccc1Cl)Cl 7a_100000211422_100000187820 [0,3,0,0,0,0|1,0,0]=4 25994 B13R1.893 NC(=O)COc1cc(ccc1Cl)F 34a_100000692107_100000187820 [0,3,0,0,0,0|1,0,0]=4 25995 B13R1.893 NC(=O)COc1cc(ccc1Cl)F 7a_100000692107_100000187820 [0,3,0,0,0,0|1,0,0]=4 25996 B13R1.893 NC(=O)COc1cc(ccc1Cl)I 34a_100011356854_100000187820 [0,3,0,0,0,0|1,0,0]=4 25997 B13R1.893 NC(=O)COc1cc(ccc1Cl)I 7a_100011356854_100000187820 [0,3,0,0,0,0|1,0,0]=4 25998 B13R1.893 NC(=O)COc1cc(ccc1Cl)N 34a_100011934209_100000187820 [0,3,0,0,0,0|1,0,0]=4 25999 B13R1.893 NC(=O)COc1cc(ccc1F)Br 34a_100000686035_100000187820 [0,3,0,0,0,0|1,0,0]=4 26000 B13R1.893 NC(=O)COc1cc(ccc1F)Br 7a_100000686035_100000187820 [0,3,0,0,0,0|1,0,0]=4 26001 B13R1.893 NC(=O)COc1cc(ccc1F)Cl 34a_100000757397_100000187820 [0,3,0,0,0,0|1,0,0]=4 26002 B13R1.893 NC(=O)COc1cc(ccc1F)Cl 7a_100000757397_100000187820 [0,3,0,0,0,0|1,0,0]=4 26003 B13R1.893 NC(=O)COc1cc(ccc1F)F 34a_100000752141_100000187820 [0,3,0,0,0,0|1,0,0]=4 26004 B13R1.893 NC(=O)COc1cc(ccc1F)F 7a_100000752141_100000187820 [0,3,0,0,0,0|1,0,0]=4 26005 B13R1.893 NC(=O)COc1cc(ccc1F)I 34a_100009958187_100000187820 [0,3,0,0,0,0|1,0,0]=4 26006 B13R1.893 NC(=O)COc1cc(ccc1F)I 7a_100009958187_100000187820 [0,3,0,0,0,0|1,0,0]=4 26007 B13R1.893 NC(=O)COc1cc(ccc1F)N 34a_100012017398_100000187820 [0,3,0,0,0,0|1,0,0]=4 26008 B13R1.893 NC(=O)COc1cc(ccc1F)N 7a_100012017398_100000187820 [0,3,0,0,0,0|1,0,0]=4 26009 B13R1.893 NC(=O)COc1cc(ccc1I)Br 34a_100012344904_100000187820 [0,3,0,0,0,0|1,0,0]=4 26010 B13R1.893 NC(=O)COc1cc(ccc1I)Br 7a_100012344904_100000187820 [0,3,0,0,0,0|1,0,0]=4 26011 B13R1.893 NC(=O)COc1cc(ccc1I)Cl 34a_100000050036_100000187820 [0,3,0,0,0,0|1,0,0]=4 26012 B13R1.893 NC(=O)COc1cc(ccc1I)Cl 7a_100000050036_100000187820 [0,3,0,0,0,0|1,0,0]=4 26013 B13R1.893 NC(=O)COc1cc(ccc1I)F 34a_100010084537_100000187820 [0,3,0,0,0,0|1,0,0]=4 26014 B13R1.893 NC(=O)COc1cc(ccc1I)F 7a_100010084537_100000187820 [0,3,0,0,0,0|1,0,0]=4 26015 B13R1.893 NC(=O)COc1cc(ccc1N)Br 34a_100000739049_100000187820 [0,3,0,0,0,0|1,0,0]=4 26016 B13R1.893 NC(=O)COc1cc(ccc1N)Br 7a_100000739049_100000187820 [0,3,0,0,0,0|1,0,0]=4 26017 B13R1.893 NC(=O)COc1cc(ccc1N)Cl 34a_100000185728_100000187820 [0,3,0,0,0,0|1,0,0]=4 26018 B13R1.893 NC(=O)COc1cc(ccc1N)Cl 7a_100000185728_100000187820 [0,3,0,0,0,0|1,0,0]=4 26019 B13R1.893 NC(=O)COc1cc(ccc1N)F 34a_100000753323_100000187820 [0,3,0,0,0,0|1,0,0]=4 26020 B13R1.893 NC(=O)COc1cc(ccc1N)F 7a_100000753323_100000187820 [0,3,0,0,0,0|1,0,0]=4 26021 B13R1.893 NC(=O)COc1cc(ccc1N)I 34a_100000057187_100000187820 [0,3,0,0,0,0|1,0,0]=4 26022 B13R1.893 NC(=O)COc1cc(ccc1N)I 7a_100000057187_100000187820 [0,3,0,0,0,0|1,0,0]=4 26023 B13R1.893 NC(=O)COc1cc(ccc1N)N 34a_100025717382_100000187820 [0,3,0,0,0,0|1,0,0]=4 26024 B13R1.893 Nc1ccc(c(c1)OCC(=O)[O-])Cl 34a_100011934209_100020667443 [0,3,0,0,0,0|1,0,0]=4 26025 B13R1.893 Nc1ccc(c(c1)OCC(=O)[O-])F 34a_100012017398_100020667443 [0,3,0,0,0,0|1,0,0]=4 26026 B13R1.893 Nc1ccc(c(c1)OCC(=O)[O-])N 34a_100025717382_100020667443 [0,3,0,0,0,0|1,0,0]=4 26027 B13R1.893 Nc1ccc(cc1OCC(=O)[O-])Br 34a_100000739049_100020667443 [0,3,0,0,0,0|1,0,0]=4 26028 B13R1.893 Nc1ccc(cc1OCC(=O)[O-])Cl 34a_100000185728_100020667443 [0,3,0,0,0,0|1,0,0]=4 26029 B13R1.893 Nc1ccc(cc1OCC(=O)[O-])F 34a_100000753323_100020667443 [0,3,0,0,0,0|1,0,0]=4 26030 B13R1.893 Nc1ccc(cc1OCC(=O)[O-])I 34a_100000057187_100020667443 [0,3,0,0,0,0|1,0,0]=4 26031 B13R1.893 O=C([O-])COc1cc(ccc1Br)Br 34a_100011220040_100020667443 [0,3,0,0,0,0|1,0,0]=4 26032 B13R1.893 O=C([O-])COc1cc(ccc1Br)Cl 34a_100012339455_100020667443 [0,3,0,0,0,0|1,0,0]=4 26033 B13R1.893 O=C([O-])COc1cc(ccc1Br)F 34a_100000690578_100020667443 [0,3,0,0,0,0|1,0,0]=4 26034 B13R1.893 O=C([O-])COc1cc(ccc1Br)I 34a_100012356990_100020667443 [0,3,0,0,0,0|1,0,0]=4 26035 B13R1.893 O=C([O-])COc1cc(ccc1Cl)Br 34a_100000738945_100020667443 [0,3,0,0,0,0|1,0,0]=4 26036 B13R1.893 O=C([O-])COc1cc(ccc1Cl)Cl 34a_100000211422_100020667443 [0,3,0,0,0,0|1,0,0]=4 26037 B13R1.893 O=C([O-])COc1cc(ccc1Cl)F 34a_100000692107_100020667443 [0,3,0,0,0,0|1,0,0]=4 26038 B13R1.893 O=C([O-])COc1cc(ccc1Cl)I 34a_100011356854_100020667443 [0,3,0,0,0,0|1,0,0]=4 26039 B13R1.893 O=C([O-])COc1cc(ccc1F)Br 34a_100000686035_100020667443 [0,3,0,0,0,0|1,0,0]=4 26040 B13R1.893 O=C([O-])COc1cc(ccc1F)Cl 34a_100000757397_100020667443 [0,3,0,0,0,0|1,0,0]=4 26041 B13R1.893 O=C([O-])COc1cc(ccc1F)F 34a_100000752141_100020667443 [0,3,0,0,0,0|1,0,0]=4 26042 B13R1.893 O=C([O-])COc1cc(ccc1F)I 34a_100009958187_100020667443 [0,3,0,0,0,0|1,0,0]=4 26043 B13R1.893 O=C([O-])COc1cc(ccc1I)Br 34a_100012344904_100020667443 [0,3,0,0,0,0|1,0,0]=4 26044 B13R1.893 O=C([O-])COc1cc(ccc1I)Cl 34a_100000050036_100020667443 [0,3,0,0,0,0|1,0,0]=4 26045 B13R1.893 O=C([O-])COc1cc(ccc1I)F 34a_100010084537_100020667443 [0,3,0,0,0,0|1,0,0]=4 26046 B13R1.893 [13CH3]C(=O)COc1cc(ccc1Br)Cl 1458a_100015481456_200025704644 [0,3,0,0,0,0|0,0,1]=4 26047 B13R1.893 [13CH3]C(=O)COc1cc(ccc1Cl)Cl 1458a_100000187393_200025704644 [0,3,0,0,0,0|0,0,1]=4 26048 B13R1.893 [13CH3]C(=O)COc1cc(ccc1F)F 1458a_100000752474_200025704644 [0,3,0,0,0,0|0,0,1]=4 26049 B13R1.3787 C=C(C)CNc1c(cccc1Br)Br 34a_100000690995_100000748629 [0,3,0,0,0,0|1,0,0]=4 26050 B13R1.3787 C=C(C)CNc1c(cccc1Br)C 34a_100011834072_100000748629 [0,3,0,0,0,0|1,0,0]=4 26051 B13R1.3787 C=C(C)CNc1c(cccc1Br)Cl 34a_100102946385_100000748629 [0,3,0,0,0,0|1,0,0]=4 26052 B13R1.3787 C=C(C)CNc1c(cccc1Br)F 34a_100000684712_100000748629 [0,3,0,0,0,0|1,0,0]=4 26053 B13R1.3787 C=C(C)CNc1c(cccc1Br)O 34a_100011934926_100000748629 [0,3,0,0,0,0|1,0,0]=4 26054 B13R1.3787 C=C(C)CNc1c(cccc1C)C 34a_100000185769_100000748629 [0,3,0,0,0,0|1,0,0]=4 26055 B13R1.3787 C=C(C)CNc1c(cccc1Cl)C 34a_100000756524_100000748629 [0,3,0,0,0,0|1,0,0]=4 26056 B13R1.3787 C=C(C)CNc1c(cccc1Cl)Cl 34a_100000210028_100000748629 [0,3,0,0,0,0|1,0,0]=4 26057 B13R1.3787 C=C(C)CNc1c(cccc1Cl)F 34a_100000760031_100000748629 [0,3,0,0,0,0|1,0,0]=4 26058 B13R1.3787 C=C(C)CNc1c(cccc1Cl)O 34a_100012022510_100000748629 [0,3,0,0,0,0|1,0,0]=4 26059 B13R1.3787 C=C(C)CNc1c(cccc1F)C 34a_100000766463_100000748629 [0,3,0,0,0,0|1,0,0]=4 26060 B13R1.3787 C=C(C)CNc1c(cccc1F)F 2230a_100000210704_100000748629 [0,3,0,0,0,0|1,0,0]=4 26061 B13R1.3787 C=C(C)CNc1c(cccc1F)F 34a_100000210704_100000748629 [0,3,0,0,0,0|1,0,0]=4 26062 B13R1.3787 C=C(C)CNc1c(cccc1F)O 34a_100020591140_100000748629 [0,3,0,0,0,0|1,0,0]=4 26063 B13R1.3787 C=C(C)CNc1c(cccc1I)F 34a_100000042321_100000748629 [0,3,0,0,0,0|1,0,0]=4 26064 B13R1.3787 C=C(C)CNc1c(cccc1O)C 34a_100000743429_100000748629 [0,3,0,0,0,0|1,0,0]=4 26065 B13R1.3787 C=C(C)COc1c(cccc1Br)Br 34a_100000736428_100000748629 [0,3,0,0,0,0|0,0,0]=3 26066 B13R1.3787 C=C(C)COc1c(cccc1Br)Br 7a_100000736428_100000748629 [0,3,0,0,0,0|0,0,0]=3 26067 B13R1.3787 C=C(C)COc1c(cccc1Br)C 34a_100009817157_100000748629 [0,3,0,0,0,0|0,0,0]=3 26068 B13R1.3787 C=C(C)COc1c(cccc1Br)C 7a_100009817157_100000748629 [0,3,0,0,0,0|0,0,0]=3 26069 B13R1.3787 C=C(C)COc1c(cccc1Br)Cl 34a_100010214474_100000748629 [0,3,0,0,0,0|0,0,0]=3 26070 B13R1.3787 C=C(C)COc1c(cccc1Br)Cl 7a_100010214474_100000748629 [0,3,0,0,0,0|0,0,0]=3 26071 B13R1.3787 C=C(C)COc1c(cccc1Br)F 34a_100009813666_100000748629 [0,3,0,0,0,0|0,0,0]=3 26072 B13R1.3787 C=C(C)COc1c(cccc1Br)F 7a_100009813666_100000748629 [0,3,0,0,0,0|0,0,0]=3 26073 B13R1.3787 C=C(C)COc1c(cccc1Br)N 34a_100011934915_100000748629 [0,3,0,0,0,0|0,0,0]=3 26074 B13R1.3787 C=C(C)COc1c(cccc1C)C 34a_100000210341_100000748629 [0,3,0,0,0,0|0,0,0]=3 26075 B13R1.3787 C=C(C)COc1c(cccc1C)C 7a_100000210341_100000748629 [0,3,0,0,0,0|0,0,0]=3 26076 B13R1.3787 C=C(C)COc1c(cccc1Cl)C 34a_100000033731_100000748629 [0,3,0,0,0,0|0,0,0]=3 26077 B13R1.3787 C=C(C)COc1c(cccc1Cl)C 7a_100000033731_100000748629 [0,3,0,0,0,0|0,0,0]=3 26078 B13R1.3787 C=C(C)COc1c(cccc1Cl)Cl 34a_100000211709_100000748629 [0,3,0,0,0,0|0,0,0]=3 26079 B13R1.3787 C=C(C)COc1c(cccc1Cl)Cl 7a_100000211709_100000748629 [0,3,0,0,0,0|0,0,0]=3 26080 B13R1.3787 C=C(C)COc1c(cccc1Cl)F 34a_100000694953_100000748629 [0,3,0,0,0,0|0,0,0]=3 26081 B13R1.3787 C=C(C)COc1c(cccc1Cl)F 7a_100000694953_100000748629 [0,3,0,0,0,0|0,0,0]=3 26082 B13R1.3787 C=C(C)COc1c(cccc1Cl)N 34a_100000754742_100000748629 [0,3,0,0,0,0|0,0,0]=3 26083 B13R1.3787 C=C(C)COc1c(cccc1F)C 34a_100011659162_100000748629 [0,3,0,0,0,0|0,0,0]=3 26084 B13R1.3787 C=C(C)COc1c(cccc1F)C 7a_100011659162_100000748629 [0,3,0,0,0,0|0,0,0]=3 26085 B13R1.3787 C=C(C)COc1c(cccc1F)F 34a_100000230165_100000748629 [0,3,0,0,0,0|0,0,0]=3 26086 B13R1.3787 C=C(C)COc1c(cccc1F)F 7a_100000230165_100000748629 [0,3,0,0,0,0|0,0,0]=3 26087 B13R1.3787 C=C(C)COc1c(cccc1F)N 34a_100011934987_100000748629 [0,3,0,0,0,0|0,0,0]=3 26088 B13R1.3787 C=C(C)COc1c(cccc1I)Br 34a_100010084509_100000748629 [0,3,0,0,0,0|0,0,0]=3 26089 B13R1.3787 C=C(C)COc1c(cccc1I)Br 7a_100010084509_100000748629 [0,3,0,0,0,0|0,0,0]=3 26090 B13R1.3787 C=C(C)COc1c(cccc1I)Cl 34a_100010202889_100000748629 [0,3,0,0,0,0|0,0,0]=3 26091 B13R1.3787 C=C(C)COc1c(cccc1I)Cl 7a_100010202889_100000748629 [0,3,0,0,0,0|0,0,0]=3 26092 B13R1.3787 C=C(C)COc1c(cccc1I)F 34a_100010186298_100000748629 [0,3,0,0,0,0|0,0,0]=3 26093 B13R1.3787 C=C(C)COc1c(cccc1I)F 7a_100010186298_100000748629 [0,3,0,0,0,0|0,0,0]=3 26094 B13R1.3787 C=C(C)COc1c(cccc1I)N 34a_100010084371_100000748629 [0,3,0,0,0,0|0,0,0]=3 26095 B13R1.3787 C=C(C)COc1c(cccc1N)C 34a_100000756359_100000748629 [0,3,0,0,0,0|0,0,0]=3 26096 B13R1.3787 C=C(C)COc1c(cccc1N)C 7a_100000756359_100000748629 [0,3,0,0,0,0|0,0,0]=3 26097 B13R1.3787 C=C(C)COc1c(cccc1N)N 34a_200016994477_100000748629 [0,3,0,0,0,0|0,0,0]=3 26098 B13R1.3787 C=C(C)COc1c(ccnc1C)C 34a_100011934651_100000748629 [0,3,0,0,0,0|1,0,0]=4 26099 B13R1.3787 C=C(C)COc1c(ccnc1C)C 7a_100011934651_100000748629 [0,3,0,0,0,0|1,0,0]=4 26100 B13R1.3787 C=C(C)COc1c(ccnc1Cl)C 34a_100000696282_100000748629 [0,3,0,0,0,0|1,0,0]=4 26101 B13R1.3787 C=C(C)COc1c(ccnc1Cl)C 7a_100000696282_100000748629 [0,3,0,0,0,0|1,0,0]=4 26102 B13R1.3787 C=C(C)COc1c(ccnc1Cl)Cl 34a_100000118450_100000748629 [0,3,0,0,0,0|1,0,0]=4 26103 B13R1.3787 C=C(C)COc1c(ccnc1Cl)Cl 7a_100000118450_100000748629 [0,3,0,0,0,0|1,0,0]=4 26104 B13R1.3787 C=C(C)COc1c(ccnc1Cl)F 34a_100009867227_100000748629 [0,3,0,0,0,0|1,0,0]=4 26105 B13R1.3787 C=C(C)COc1c(ccnc1Cl)F 7a_100009867227_100000748629 [0,3,0,0,0,0|1,0,0]=4 26106 B13R1.3787 C=C(C)COc1c(ccnc1Cl)I 34a_100010067911_100000748629 [0,3,0,0,0,0|1,0,0]=4 26107 B13R1.3787 C=C(C)COc1c(ccnc1Cl)I 7a_100010067911_100000748629 [0,3,0,0,0,0|1,0,0]=4 26108 B13R1.3787 C=C(C)COc1c(ccnc1Cl)N 34a_100009844647_100000748629 [0,3,0,0,0,0|1,0,0]=4 26109 B13R1.3787 C=C(C)COc1c(ccnc1Cl)N 7a_100009844647_100000748629 [0,3,0,0,0,0|1,0,0]=4 26110 B13R1.3787 C=C(C)COc1c(occc1=O)C 34a_100000031901_100000748629 [0,3,0,0,0,0|1,0,0]=4 26111 B13R1.3787 C=C(C)CSc1c(cccc1Br)Br 62a_100000748629_100009994525 [0,3,0,0,0,0|0,1,0]=4 26112 B13R1.3787 C=C(C)CSc1c(cccc1Br)Br 62a_100009994525_100000211660 [0,3,0,0,0,0|0,1,0]=4 26113 B13R1.3787 C=C(C)CSc1c(cccc1Br)C 62a_100000748629_100010141302 [0,3,0,0,0,0|0,1,0]=4 26114 B13R1.3787 C=C(C)CSc1c(cccc1Br)C 62a_100010141302_100000211660 [0,3,0,0,0,0|0,1,0]=4 26115 B13R1.3787 C=C(C)CSc1c(cccc1Br)Cl 62a_100000748629_100010214488 [0,3,0,0,0,0|0,1,0]=4 26116 B13R1.3787 C=C(C)CSc1c(cccc1Br)Cl 62a_100010214488_100000211660 [0,3,0,0,0,0|0,1,0]=4 26117 B13R1.3787 C=C(C)CSc1c(cccc1Br)F 62a_100000748629_100011219512 [0,3,0,0,0,0|0,1,0]=4 26118 B13R1.3787 C=C(C)CSc1c(cccc1Br)F 62a_100011219512_100000211660 [0,3,0,0,0,0|0,1,0]=4 26119 B13R1.3787 C=C(C)CSc1c(cccc1Br)N 62a_100000748629_100020590159 [0,3,0,0,0,0|0,1,0]=4 26120 B13R1.3787 C=C(C)CSc1c(cccc1Br)N 62a_100020590159_100000211660 [0,3,0,0,0,0|0,1,0]=4 26121 B13R1.3787 C=C(C)CSc1c(cccc1Br)O 62a_100000748629_100010187912 [0,3,0,0,0,0|0,1,0]=4 26122 B13R1.3787 C=C(C)CSc1c(cccc1Br)O 62a_100010187912_100000211660 [0,3,0,0,0,0|0,1,0]=4 26123 B13R1.3787 C=C(C)CSc1c(cccc1C)C 62a_100000033847_100000211660 [0,3,0,0,0,0|0,1,0]=4 26124 B13R1.3787 C=C(C)CSc1c(cccc1C)C 62a_100000748629_100000033847 [0,3,0,0,0,0|0,1,0]=4 26125 B13R1.3787 C=C(C)CSc1c(cccc1Cl)C 62a_100000043165_100000211660 [0,3,0,0,0,0|0,1,0]=4 26126 B13R1.3787 C=C(C)CSc1c(cccc1Cl)C 62a_100000748629_100000043165 [0,3,0,0,0,0|0,1,0]=4 26127 B13R1.3787 C=C(C)CSc1c(cccc1Cl)Cl 62a_100000034237_100000211660 [0,3,0,0,0,0|0,1,0]=4 26128 B13R1.3787 C=C(C)CSc1c(cccc1Cl)Cl 62a_100000748629_100000034237 [0,3,0,0,0,0|0,1,0]=4 26129 B13R1.3787 C=C(C)CSc1c(cccc1Cl)F 62a_100000050007_100000211660 [0,3,0,0,0,0|0,1,0]=4 26130 B13R1.3787 C=C(C)CSc1c(cccc1Cl)F 62a_100000748629_100000050007 [0,3,0,0,0,0|0,1,0]=4 26131 B13R1.3787 C=C(C)CSc1c(cccc1Cl)N 62a_100000049713_100000211660 [0,3,0,0,0,0|0,1,0]=4 26132 B13R1.3787 C=C(C)CSc1c(cccc1Cl)N 62a_100000748629_100000049713 [0,3,0,0,0,0|0,1,0]=4 26133 B13R1.3787 C=C(C)CSc1c(cccc1Cl)O 62a_100000748629_100000050174 [0,3,0,0,0,0|0,1,0]=4 26134 B13R1.3787 C=C(C)CSc1c(cccc1F)C 62a_100000748629_100011218421 [0,3,0,0,0,0|0,1,0]=4 26135 B13R1.3787 C=C(C)CSc1c(cccc1F)C 62a_100011218421_100000211660 [0,3,0,0,0,0|0,1,0]=4 26136 B13R1.3787 C=C(C)CSc1c(cccc1F)F 62a_100000693133_100000211660 [0,3,0,0,0,0|0,1,0]=4 26137 B13R1.3787 C=C(C)CSc1c(cccc1F)F 62a_100000748629_100000693133 [0,3,0,0,0,0|0,1,0]=4 26138 B13R1.3787 C=C(C)CSc1c(cccc1F)N 62a_100000690935_100000211660 [0,3,0,0,0,0|0,1,0]=4 26139 B13R1.3787 C=C(C)CSc1c(cccc1F)N 62a_100000748629_100000690935 [0,3,0,0,0,0|0,1,0]=4 26140 B13R1.3787 C=C(C)CSc1c(cccc1F)O 62a_100000748629_100009820682 [0,3,0,0,0,0|0,1,0]=4 26141 B13R1.3787 C=C(C)CSc1c(cccc1F)O 62a_100009820682_100000211660 [0,3,0,0,0,0|0,1,0]=4 26142 B13R1.3787 C=C(C)CSc1c(cccc1N)C 62a_100000684715_100000211660 [0,3,0,0,0,0|0,1,0]=4 26143 B13R1.3787 C=C(C)CSc1c(cccc1N)C 62a_100000748629_100000684715 [0,3,0,0,0,0|0,1,0]=4 26144 B13R1.3787 C=C(C)CSc1c(cccc1O)C 62a_100000686692_100000211660 [0,3,0,0,0,0|0,1,0]=4 26145 B13R1.3787 C=C(C)CSc1c(cccc1O)C 62a_100000748629_100000686692 [0,3,0,0,0,0|0,1,0]=4 26146 B13R1.3787 C=C(C)CSc1c(cccc1O)N 62a_100000748629_100012183704 [0,3,0,0,0,0|0,1,0]=4 26147 B13R1.3787 C=C(C)CSc1c(cccc1O)N 62a_100012183704_100000211660 [0,3,0,0,0,0|0,1,0]=4 26148 B13R1.3787 C=C(C)CSc1c(cccc1O)O 62a_100000748629_100010205330 [0,3,0,0,0,0|0,1,0]=4 26149 B13R1.3787 C=C(F)CNc1c(cccc1Br)Br 34a_100000690995_100009893438 [0,3,0,0,0,0|1,0,0]=4 26150 B13R1.3787 C=C(F)CNc1c(cccc1Br)C 34a_100011834072_100009893438 [0,3,0,0,0,0|1,0,0]=4 26151 B13R1.3787 C=C(F)CNc1c(cccc1Br)Cl 34a_100102946385_100009893438 [0,3,0,0,0,0|1,0,0]=4 26152 B13R1.3787 C=C(F)CNc1c(cccc1Br)F 34a_100000684712_100009893438 [0,3,0,0,0,0|1,0,0]=4 26153 B13R1.3787 C=C(F)CNc1c(cccc1Br)O 34a_100011934926_100009893438 [0,3,0,0,0,0|1,0,0]=4 26154 B13R1.3787 C=C(F)CNc1c(cccc1C)C 34a_100000185769_100009893438 [0,3,0,0,0,0|1,0,0]=4 26155 B13R1.3787 C=C(F)CNc1c(cccc1Cl)C 34a_100000756524_100009893438 [0,3,0,0,0,0|1,0,0]=4 26156 B13R1.3787 C=C(F)CNc1c(cccc1Cl)Cl 34a_100000210028_100009893438 [0,3,0,0,0,0|1,0,0]=4 26157 B13R1.3787 C=C(F)CNc1c(cccc1Cl)F 34a_100000760031_100009893438 [0,3,0,0,0,0|1,0,0]=4 26158 B13R1.3787 C=C(F)CNc1c(cccc1Cl)O 34a_100012022510_100009893438 [0,3,0,0,0,0|1,0,0]=4 26159 B13R1.3787 C=C(F)CNc1c(cccc1F)C 34a_100000766463_100009893438 [0,3,0,0,0,0|1,0,0]=4 26160 B13R1.3787 C=C(F)CNc1c(cccc1F)F 2230a_100000210704_100009893438 [0,3,0,0,0,0|1,0,0]=4 26161 B13R1.3787 C=C(F)CNc1c(cccc1F)F 34a_100000210704_100009893438 [0,3,0,0,0,0|1,0,0]=4 26162 B13R1.3787 C=C(F)CNc1c(cccc1F)O 34a_100020591140_100009893438 [0,3,0,0,0,0|1,0,0]=4 26163 B13R1.3787 C=C(F)CNc1c(cccc1I)F 34a_100000042321_100009893438 [0,3,0,0,0,0|1,0,0]=4 26164 B13R1.3787 C=C(F)CNc1c(cccc1O)C 34a_100000743429_100009893438 [0,3,0,0,0,0|1,0,0]=4 26165 B13R1.3787 C=C(F)COc1c(cccc1Br)Br 34a_100000736428_100009893438 [0,3,0,0,0,0|0,0,0]=3 26166 B13R1.3787 C=C(F)COc1c(cccc1Br)Br 7a_100000736428_100000042424 [0,3,0,0,0,0|0,0,0]=3 26167 B13R1.3787 C=C(F)COc1c(cccc1Br)C 34a_100009817157_100009893438 [0,3,0,0,0,0|0,0,0]=3 26168 B13R1.3787 C=C(F)COc1c(cccc1Br)C 7a_100009817157_100000042424 [0,3,0,0,0,0|0,0,0]=3 26169 B13R1.3787 C=C(F)COc1c(cccc1Br)Cl 34a_100010214474_100009893438 [0,3,0,0,0,0|0,0,0]=3 26170 B13R1.3787 C=C(F)COc1c(cccc1Br)Cl 7a_100010214474_100000042424 [0,3,0,0,0,0|0,0,0]=3 26171 B13R1.3787 C=C(F)COc1c(cccc1Br)F 34a_100009813666_100009893438 [0,3,0,0,0,0|0,0,0]=3 26172 B13R1.3787 C=C(F)COc1c(cccc1Br)F 7a_100009813666_100000042424 [0,3,0,0,0,0|0,0,0]=3 26173 B13R1.3787 C=C(F)COc1c(cccc1Br)N 34a_100011934915_100009893438 [0,3,0,0,0,0|0,0,0]=3 26174 B13R1.3787 C=C(F)COc1c(cccc1C)C 34a_100000210341_100009893438 [0,3,0,0,0,0|0,0,0]=3 26175 B13R1.3787 C=C(F)COc1c(cccc1C)C 7a_100000210341_100000042424 [0,3,0,0,0,0|0,0,0]=3 26176 B13R1.3787 C=C(F)COc1c(cccc1Cl)C 34a_100000033731_100009893438 [0,3,0,0,0,0|0,0,0]=3 26177 B13R1.3787 C=C(F)COc1c(cccc1Cl)C 7a_100000033731_100000042424 [0,3,0,0,0,0|0,0,0]=3 26178 B13R1.3787 C=C(F)COc1c(cccc1Cl)Cl 34a_100000211709_100009893438 [0,3,0,0,0,0|0,0,0]=3 26179 B13R1.3787 C=C(F)COc1c(cccc1Cl)Cl 7a_100000211709_100000042424 [0,3,0,0,0,0|0,0,0]=3 26180 B13R1.3787 C=C(F)COc1c(cccc1Cl)F 34a_100000694953_100009893438 [0,3,0,0,0,0|0,0,0]=3 26181 B13R1.3787 C=C(F)COc1c(cccc1Cl)F 7a_100000694953_100000042424 [0,3,0,0,0,0|0,0,0]=3 26182 B13R1.3787 C=C(F)COc1c(cccc1Cl)N 34a_100000754742_100009893438 [0,3,0,0,0,0|0,0,0]=3 26183 B13R1.3787 C=C(F)COc1c(cccc1F)C 34a_100011659162_100009893438 [0,3,0,0,0,0|0,0,0]=3 26184 B13R1.3787 C=C(F)COc1c(cccc1F)C 7a_100011659162_100000042424 [0,3,0,0,0,0|0,0,0]=3 26185 B13R1.3787 C=C(F)COc1c(cccc1F)F 34a_100000230165_100009893438 [0,3,0,0,0,0|0,0,0]=3 26186 B13R1.3787 C=C(F)COc1c(cccc1F)F 7a_100000230165_100000042424 [0,3,0,0,0,0|0,0,0]=3 26187 B13R1.3787 C=C(F)COc1c(cccc1F)N 34a_100011934987_100009893438 [0,3,0,0,0,0|0,0,0]=3 26188 B13R1.3787 C=C(F)COc1c(cccc1I)Br 34a_100010084509_100009893438 [0,3,0,0,0,0|0,0,0]=3 26189 B13R1.3787 C=C(F)COc1c(cccc1I)Br 7a_100010084509_100000042424 [0,3,0,0,0,0|0,0,0]=3 26190 B13R1.3787 C=C(F)COc1c(cccc1I)Cl 34a_100010202889_100009893438 [0,3,0,0,0,0|0,0,0]=3 26191 B13R1.3787 C=C(F)COc1c(cccc1I)Cl 7a_100010202889_100000042424 [0,3,0,0,0,0|0,0,0]=3 26192 B13R1.3787 C=C(F)COc1c(cccc1I)F 34a_100010186298_100009893438 [0,3,0,0,0,0|0,0,0]=3 26193 B13R1.3787 C=C(F)COc1c(cccc1I)F 7a_100010186298_100000042424 [0,3,0,0,0,0|0,0,0]=3 26194 B13R1.3787 C=C(F)COc1c(cccc1I)N 34a_100010084371_100009893438 [0,3,0,0,0,0|0,0,0]=3 26195 B13R1.3787 C=C(F)COc1c(cccc1N)C 34a_100000756359_100009893438 [0,3,0,0,0,0|0,0,0]=3 26196 B13R1.3787 C=C(F)COc1c(cccc1N)C 7a_100000756359_100000042424 [0,3,0,0,0,0|0,0,0]=3 26197 B13R1.3787 C=C(F)COc1c(cccc1N)N 34a_200016994477_100009893438 [0,3,0,0,0,0|0,0,0]=3 26198 B13R1.3787 C=C(F)COc1c(ccnc1C)C 34a_100011934651_100009893438 [0,3,0,0,0,0|1,0,0]=4 26199 B13R1.3787 C=C(F)COc1c(ccnc1C)C 7a_100011934651_100000042424 [0,3,0,0,0,0|1,0,0]=4 26200 B13R1.3787 C=C(F)COc1c(ccnc1Cl)C 34a_100000696282_100009893438 [0,3,0,0,0,0|1,0,0]=4 26201 B13R1.3787 C=C(F)COc1c(ccnc1Cl)C 7a_100000696282_100000042424 [0,3,0,0,0,0|1,0,0]=4 26202 B13R1.3787 C=C(F)COc1c(ccnc1Cl)Cl 34a_100000118450_100009893438 [0,3,0,0,0,0|1,0,0]=4 26203 B13R1.3787 C=C(F)COc1c(ccnc1Cl)Cl 7a_100000118450_100000042424 [0,3,0,0,0,0|1,0,0]=4 26204 B13R1.3787 C=C(F)COc1c(ccnc1Cl)F 34a_100009867227_100009893438 [0,3,0,0,0,0|1,0,0]=4 26205 B13R1.3787 C=C(F)COc1c(ccnc1Cl)F 7a_100009867227_100000042424 [0,3,0,0,0,0|1,0,0]=4 26206 B13R1.3787 C=C(F)COc1c(ccnc1Cl)I 34a_100010067911_100009893438 [0,3,0,0,0,0|1,0,0]=4 26207 B13R1.3787 C=C(F)COc1c(ccnc1Cl)I 7a_100010067911_100000042424 [0,3,0,0,0,0|1,0,0]=4 26208 B13R1.3787 C=C(F)COc1c(ccnc1Cl)N 34a_100009844647_100009893438 [0,3,0,0,0,0|1,0,0]=4 26209 B13R1.3787 C=C(F)COc1c(ccnc1Cl)N 7a_100009844647_100000042424 [0,3,0,0,0,0|1,0,0]=4 26210 B13R1.3787 C=C(F)COc1c(occc1=O)C 34a_100000031901_100009893438 [0,3,0,0,0,0|1,0,0]=4 26211 B13R1.3787 C=C(F)CSc1c(cccc1Br)Br 62a_100000042424_100009994525 [0,3,0,0,0,0|0,1,0]=4 26212 B13R1.3787 C=C(F)CSc1c(cccc1Br)Br 62a_100009994525_100000042424 [0,3,0,0,0,0|0,1,0]=4 26213 B13R1.3787 C=C(F)CSc1c(cccc1Br)C 62a_100000042424_100010141302 [0,3,0,0,0,0|0,1,0]=4 26214 B13R1.3787 C=C(F)CSc1c(cccc1Br)C 62a_100010141302_100000042424 [0,3,0,0,0,0|0,1,0]=4 26215 B13R1.3787 C=C(F)CSc1c(cccc1Br)Cl 62a_100000042424_100010214488 [0,3,0,0,0,0|0,1,0]=4 26216 B13R1.3787 C=C(F)CSc1c(cccc1Br)Cl 62a_100010214488_100000042424 [0,3,0,0,0,0|0,1,0]=4 26217 B13R1.3787 C=C(F)CSc1c(cccc1Br)F 62a_100000042424_100011219512 [0,3,0,0,0,0|0,1,0]=4 26218 B13R1.3787 C=C(F)CSc1c(cccc1Br)F 62a_100011219512_100000042424 [0,3,0,0,0,0|0,1,0]=4 26219 B13R1.3787 C=C(F)CSc1c(cccc1Br)N 62a_100000042424_100020590159 [0,3,0,0,0,0|0,1,0]=4 26220 B13R1.3787 C=C(F)CSc1c(cccc1Br)N 62a_100020590159_100000042424 [0,3,0,0,0,0|0,1,0]=4 26221 B13R1.3787 C=C(F)CSc1c(cccc1Br)O 62a_100000042424_100010187912 [0,3,0,0,0,0|0,1,0]=4 26222 B13R1.3787 C=C(F)CSc1c(cccc1Br)O 62a_100010187912_100000042424 [0,3,0,0,0,0|0,1,0]=4 26223 B13R1.3787 C=C(F)CSc1c(cccc1C)C 62a_100000033847_100000042424 [0,3,0,0,0,0|0,1,0]=4 26224 B13R1.3787 C=C(F)CSc1c(cccc1C)C 62a_100000042424_100000033847 [0,3,0,0,0,0|0,1,0]=4 26225 B13R1.3787 C=C(F)CSc1c(cccc1Cl)C 62a_100000042424_100000043165 [0,3,0,0,0,0|0,1,0]=4 26226 B13R1.3787 C=C(F)CSc1c(cccc1Cl)C 62a_100000043165_100000042424 [0,3,0,0,0,0|0,1,0]=4 26227 B13R1.3787 C=C(F)CSc1c(cccc1Cl)Cl 62a_100000034237_100000042424 [0,3,0,0,0,0|0,1,0]=4 26228 B13R1.3787 C=C(F)CSc1c(cccc1Cl)Cl 62a_100000042424_100000034237 [0,3,0,0,0,0|0,1,0]=4 26229 B13R1.3787 C=C(F)CSc1c(cccc1Cl)F 62a_100000042424_100000050007 [0,3,0,0,0,0|0,1,0]=4 26230 B13R1.3787 C=C(F)CSc1c(cccc1Cl)F 62a_100000050007_100000042424 [0,3,0,0,0,0|0,1,0]=4 26231 B13R1.3787 C=C(F)CSc1c(cccc1Cl)N 62a_100000042424_100000049713 [0,3,0,0,0,0|0,1,0]=4 26232 B13R1.3787 C=C(F)CSc1c(cccc1Cl)N 62a_100000049713_100000042424 [0,3,0,0,0,0|0,1,0]=4 26233 B13R1.3787 C=C(F)CSc1c(cccc1Cl)O 62a_100000042424_100000050174 [0,3,0,0,0,0|0,1,0]=4 26234 B13R1.3787 C=C(F)CSc1c(cccc1F)C 62a_100000042424_100011218421 [0,3,0,0,0,0|0,1,0]=4 26235 B13R1.3787 C=C(F)CSc1c(cccc1F)C 62a_100011218421_100000042424 [0,3,0,0,0,0|0,1,0]=4 26236 B13R1.3787 C=C(F)CSc1c(cccc1F)F 62a_100000042424_100000693133 [0,3,0,0,0,0|0,1,0]=4 26237 B13R1.3787 C=C(F)CSc1c(cccc1F)F 62a_100000693133_100000042424 [0,3,0,0,0,0|0,1,0]=4 26238 B13R1.3787 C=C(F)CSc1c(cccc1F)N 62a_100000042424_100000690935 [0,3,0,0,0,0|0,1,0]=4 26239 B13R1.3787 C=C(F)CSc1c(cccc1F)N 62a_100000690935_100000042424 [0,3,0,0,0,0|0,1,0]=4 26240 B13R1.3787 C=C(F)CSc1c(cccc1F)O 62a_100000042424_100009820682 [0,3,0,0,0,0|0,1,0]=4 26241 B13R1.3787 C=C(F)CSc1c(cccc1F)O 62a_100009820682_100000042424 [0,3,0,0,0,0|0,1,0]=4 26242 B13R1.3787 C=C(F)CSc1c(cccc1N)C 62a_100000042424_100000684715 [0,3,0,0,0,0|0,1,0]=4 26243 B13R1.3787 C=C(F)CSc1c(cccc1N)C 62a_100000684715_100000042424 [0,3,0,0,0,0|0,1,0]=4 26244 B13R1.3787 C=C(F)CSc1c(cccc1O)C 62a_100000042424_100000686692 [0,3,0,0,0,0|0,1,0]=4 26245 B13R1.3787 C=C(F)CSc1c(cccc1O)C 62a_100000686692_100000042424 [0,3,0,0,0,0|0,1,0]=4 26246 B13R1.3787 C=C(F)CSc1c(cccc1O)N 62a_100000042424_100012183704 [0,3,0,0,0,0|0,1,0]=4 26247 B13R1.3787 C=C(F)CSc1c(cccc1O)N 62a_100012183704_100000042424 [0,3,0,0,0,0|0,1,0]=4 26248 B13R1.3787 C=C(F)CSc1c(cccc1O)O 62a_100000042424_100010205330 [0,3,0,0,0,0|0,1,0]=4 26249 B13R1.3787 CC(=O)COc1c(cccc1C)C 1458a_100000184085_200000210301 [0,3,0,0,0,0|0,0,1]=4 26250 B13R1.3787 CC(=O)COc1c(cccc1Cl)Cl 1458a_100000184137_200000210301 [0,3,0,0,0,0|0,0,1]=4 26251 B13R1.3787 Cc1cccc(c1OCC(=O)N)Br 34a_100009817157_100000187820 [0,3,0,0,0,0|1,0,0]=4 26252 B13R1.3787 Cc1cccc(c1OCC(=O)N)Br 7a_100009817157_100000187820 [0,3,0,0,0,0|1,0,0]=4 26253 B13R1.3787 Cc1cccc(c1OCC(=O)N)C 34a_100000210341_100000187820 [0,3,0,0,0,0|1,0,0]=4 26254 B13R1.3787 Cc1cccc(c1OCC(=O)N)C 7a_100000210341_100000187820 [0,3,0,0,0,0|1,0,0]=4 26255 B13R1.3787 Cc1cccc(c1OCC(=O)N)Cl 34a_100000033731_100000187820 [0,3,0,0,0,0|1,0,0]=4 26256 B13R1.3787 Cc1cccc(c1OCC(=O)N)Cl 7a_100000033731_100000187820 [0,3,0,0,0,0|1,0,0]=4 26257 B13R1.3787 Cc1cccc(c1OCC(=O)N)F 34a_100011659162_100000187820 [0,3,0,0,0,0|1,0,0]=4 26258 B13R1.3787 Cc1cccc(c1OCC(=O)N)F 7a_100011659162_100000187820 [0,3,0,0,0,0|1,0,0]=4 26259 B13R1.3787 Cc1cccc(c1OCC(=O)N)N 34a_100000756359_100000187820 [0,3,0,0,0,0|1,0,0]=4 26260 B13R1.3787 Cc1cccc(c1OCC(=O)N)N 7a_100000756359_100000187820 [0,3,0,0,0,0|1,0,0]=4 26261 B13R1.3787 Cc1cccc(c1OCC(=O)[13CH3])C 1458a_100000184085_200025704644 [0,3,0,0,0,0|0,0,1]=4 26262 B13R1.3787 Cc1cccc(c1OCC(=O)[O-])Br 34a_100009817157_100020667443 [0,3,0,0,0,0|1,0,0]=4 26263 B13R1.3787 Cc1cccc(c1OCC(=O)[O-])C 34a_100000210341_100020667443 [0,3,0,0,0,0|1,0,0]=4 26264 B13R1.3787 Cc1cccc(c1OCC(=O)[O-])Cl 34a_100000033731_100020667443 [0,3,0,0,0,0|1,0,0]=4 26265 B13R1.3787 Cc1cccc(c1OCC(=O)[O-])F 34a_100011659162_100020667443 [0,3,0,0,0,0|1,0,0]=4 26266 B13R1.3787 Cc1cccc(c1OCC(=O)[O-])N 34a_100000756359_100020667443 [0,3,0,0,0,0|1,0,0]=4 26267 B13R1.3787 NC(=O)COc1c(cccc1Br)Br 34a_100000736428_100000187820 [0,3,0,0,0,0|1,0,0]=4 26268 B13R1.3787 NC(=O)COc1c(cccc1Br)Br 7a_100000736428_100000187820 [0,3,0,0,0,0|1,0,0]=4 26269 B13R1.3787 NC(=O)COc1c(cccc1Br)Cl 34a_100010214474_100000187820 [0,3,0,0,0,0|1,0,0]=4 26270 B13R1.3787 NC(=O)COc1c(cccc1Br)Cl 7a_100010214474_100000187820 [0,3,0,0,0,0|1,0,0]=4 26271 B13R1.3787 NC(=O)COc1c(cccc1Br)F 34a_100009813666_100000187820 [0,3,0,0,0,0|1,0,0]=4 26272 B13R1.3787 NC(=O)COc1c(cccc1Br)F 7a_100009813666_100000187820 [0,3,0,0,0,0|1,0,0]=4 26273 B13R1.3787 NC(=O)COc1c(cccc1Br)N 34a_100011934915_100000187820 [0,3,0,0,0,0|1,0,0]=4 26274 B13R1.3787 NC(=O)COc1c(cccc1Cl)Cl 34a_100000211709_100000187820 [0,3,0,0,0,0|1,0,0]=4 26275 B13R1.3787 NC(=O)COc1c(cccc1Cl)Cl 7a_100000211709_100000187820 [0,3,0,0,0,0|1,0,0]=4 26276 B13R1.3787 NC(=O)COc1c(cccc1Cl)F 34a_100000694953_100000187820 [0,3,0,0,0,0|1,0,0]=4 26277 B13R1.3787 NC(=O)COc1c(cccc1Cl)F 7a_100000694953_100000187820 [0,3,0,0,0,0|1,0,0]=4 26278 B13R1.3787 NC(=O)COc1c(cccc1Cl)N 34a_100000754742_100000187820 [0,3,0,0,0,0|1,0,0]=4 26279 B13R1.3787 NC(=O)COc1c(cccc1F)F 34a_100000230165_100000187820 [0,3,0,0,0,0|1,0,0]=4 26280 B13R1.3787 NC(=O)COc1c(cccc1F)F 7a_100000230165_100000187820 [0,3,0,0,0,0|1,0,0]=4 26281 B13R1.3787 NC(=O)COc1c(cccc1F)N 34a_100011934987_100000187820 [0,3,0,0,0,0|1,0,0]=4 26282 B13R1.3787 NC(=O)COc1c(cccc1I)Br 34a_100010084509_100000187820 [0,3,0,0,0,0|1,0,0]=4 26283 B13R1.3787 NC(=O)COc1c(cccc1I)Br 7a_100010084509_100000187820 [0,3,0,0,0,0|1,0,0]=4 26284 B13R1.3787 NC(=O)COc1c(cccc1I)Cl 34a_100010202889_100000187820 [0,3,0,0,0,0|1,0,0]=4 26285 B13R1.3787 NC(=O)COc1c(cccc1I)Cl 7a_100010202889_100000187820 [0,3,0,0,0,0|1,0,0]=4 26286 B13R1.3787 NC(=O)COc1c(cccc1I)F 34a_100010186298_100000187820 [0,3,0,0,0,0|1,0,0]=4 26287 B13R1.3787 NC(=O)COc1c(cccc1I)F 7a_100010186298_100000187820 [0,3,0,0,0,0|1,0,0]=4 26288 B13R1.3787 NC(=O)COc1c(cccc1I)N 34a_100010084371_100000187820 [0,3,0,0,0,0|1,0,0]=4 26289 B13R1.3787 NC(=O)COc1c(cccc1N)N 34a_200016994477_100000187820 [0,3,0,0,0,0|1,0,0]=4 26290 B13R1.3787 Nc1cccc(c1OCC(=O)[O-])Br 34a_100011934915_100020667443 [0,3,0,0,0,0|1,0,0]=4 26291 B13R1.3787 Nc1cccc(c1OCC(=O)[O-])Cl 34a_100000754742_100020667443 [0,3,0,0,0,0|1,0,0]=4 26292 B13R1.3787 Nc1cccc(c1OCC(=O)[O-])F 34a_100011934987_100020667443 [0,3,0,0,0,0|1,0,0]=4 26293 B13R1.3787 Nc1cccc(c1OCC(=O)[O-])I 34a_100010084371_100020667443 [0,3,0,0,0,0|1,0,0]=4 26294 B13R1.3787 Nc1cccc(c1OCC(=O)[O-])N 34a_200016994477_100020667443 [0,3,0,0,0,0|1,0,0]=4 26295 B13R1.3787 O=C([O-])COc1c(cccc1Br)Br 34a_100000736428_100020667443 [0,3,0,0,0,0|1,0,0]=4 26296 B13R1.3787 O=C([O-])COc1c(cccc1Br)Cl 34a_100010214474_100020667443 [0,3,0,0,0,0|1,0,0]=4 26297 B13R1.3787 O=C([O-])COc1c(cccc1Br)F 34a_100009813666_100020667443 [0,3,0,0,0,0|1,0,0]=4 26298 B13R1.3787 O=C([O-])COc1c(cccc1Cl)Cl 34a_100000211709_100020667443 [0,3,0,0,0,0|1,0,0]=4 26299 B13R1.3787 O=C([O-])COc1c(cccc1Cl)F 34a_100000694953_100020667443 [0,3,0,0,0,0|1,0,0]=4 26300 B13R1.3787 O=C([O-])COc1c(cccc1F)F 34a_100000230165_100020667443 [0,3,0,0,0,0|1,0,0]=4 26301 B13R1.3787 O=C([O-])COc1c(cccc1I)Br 34a_100010084509_100020667443 [0,3,0,0,0,0|1,0,0]=4 26302 B13R1.3787 O=C([O-])COc1c(cccc1I)Cl 34a_100010202889_100020667443 [0,3,0,0,0,0|1,0,0]=4 26303 B13R1.3787 O=C([O-])COc1c(cccc1I)F 34a_100010186298_100020667443 [0,3,0,0,0,0|1,0,0]=4 26304 B13R1.3787 [13CH3]C(=O)COc1c(cccc1Cl)Cl 1458a_100000184137_200025704644 [0,3,0,0,0,0|0,0,1]=4 26305 B13R1.158 C=C(C)CCNc1ccccc1Br 34a_100000210017_100000730704 [0,3,0,0,0,0|1,0,0]=4 26306 B13R1.158 C=C(C)CCNc1ccccc1C 34a_100015192222_100000730704 [0,3,0,0,0,0|1,0,0]=4 26307 B13R1.158 C=C(C)CCNc1ccccc1Cl 34a_100000185783_100000730704 [0,3,0,0,0,0|1,0,0]=4 26308 B13R1.158 C=C(C)CCNc1ccccc1F 34a_100000210422_100000730704 [0,3,0,0,0,0|1,0,0]=4 26309 B13R1.158 C=C(C)CCNc1ccccc1I 34a_100000210053_100000730704 [0,3,0,0,0,0|1,0,0]=4 26310 B13R1.158 C=C(C)CCNc1ccccc1O 34a_100000185747_100000730704 [0,3,0,0,0,0|1,0,0]=4 26311 B13R1.158 C=C(C)CCOc1cccc[n+]1[O-] 7a_100000211761_100000730704 [0,3,0,0,0,0|1,0,0]=4 26312 B13R1.158 C=C(C)CCOc1ccccc1Br 34a_100000181306_100000730704 [0,3,0,0,0,0|0,0,0]=3 26313 B13R1.158 C=C(C)CCOc1ccccc1Br 7a_100000181306_100000730704 [0,3,0,0,0,0|0,0,0]=3 26314 B13R1.158 C=C(C)CCOc1ccccc1C 34a_100000210338_100000730704 [0,3,0,0,0,0|0,0,0]=3 26315 B13R1.158 C=C(C)CCOc1ccccc1C 7a_100000210338_100000730704 [0,3,0,0,0,0|0,0,0]=3 26316 B13R1.158 C=C(C)CCOc1ccccc1Cl 34a_100000210172_100000730704 [0,3,0,0,0,0|0,0,0]=3 26317 B13R1.158 C=C(C)CCOc1ccccc1Cl 7a_100000210172_100000730704 [0,3,0,0,0,0|0,0,0]=3 26318 B13R1.158 C=C(C)CCOc1ccccc1F 34a_100000210171_100000730704 [0,3,0,0,0,0|0,0,0]=3 26319 B13R1.158 C=C(C)CCOc1ccccc1F 7a_100000210171_100000730704 [0,3,0,0,0,0|0,0,0]=3 26320 B13R1.158 C=C(C)CCOc1ccccc1I 34a_100000739446_100000730704 [0,3,0,0,0,0|0,0,0]=3 26321 B13R1.158 C=C(C)CCOc1ccccc1I 7a_100000739446_100000730704 [0,3,0,0,0,0|0,0,0]=3 26322 B13R1.158 C=C(C)CCOc1ccccc1N 34a_100000185747_100000730704 [0,3,0,0,0,0|0,0,0]=3 26323 B13R1.158 C=C(C)CCOc1ccccc1N 7a_100000185747_100000730704 [0,3,0,0,0,0|0,0,0]=3 26324 B13R1.158 C=C(C)CCOc1cccnc1Br 34a_100000744436_100000730704 [0,3,0,0,0,0|1,0,0]=4 26325 B13R1.158 C=C(C)CCOc1cccnc1Br 7a_100000744436_100000730704 [0,3,0,0,0,0|1,0,0]=4 26326 B13R1.158 C=C(C)CCOc1cccnc1C 34a_100000745507_100000730704 [0,3,0,0,0,0|1,0,0]=4 26327 B13R1.158 C=C(C)CCOc1cccnc1C 7a_100000745507_100000730704 [0,3,0,0,0,0|1,0,0]=4 26328 B13R1.158 C=C(C)CCOc1cccnc1Cl 34a_100000757616_100000730704 [0,3,0,0,0,0|1,0,0]=4 26329 B13R1.158 C=C(C)CCOc1cccnc1Cl 7a_100000757616_100000730704 [0,3,0,0,0,0|1,0,0]=4 26330 B13R1.158 C=C(C)CCOc1cccnc1F 34a_100000061740_100000730704 [0,3,0,0,0,0|1,0,0]=4 26331 B13R1.158 C=C(C)CCOc1cccnc1F 7a_100000061740_100000730704 [0,3,0,0,0,0|1,0,0]=4 26332 B13R1.158 C=C(C)CCOc1cccnc1I 34a_100000034122_100000730704 [0,3,0,0,0,0|1,0,0]=4 26333 B13R1.158 C=C(C)CCOc1cccnc1I 7a_100000034122_100000730704 [0,3,0,0,0,0|1,0,0]=4 26334 B13R1.158 C=C(C)CCOc1cccnc1N 34a_100000211975_100000730704 [0,3,0,0,0,0|1,0,0]=4 26335 B13R1.158 C=C(C)CCOc1cccnc1N 7a_100000211975_100000730704 [0,3,0,0,0,0|1,0,0]=4 26336 B13R1.158 C=C(C)CCOc1cccoc1=O 34a_100000077404_100000730704 [0,3,0,0,0,0|1,0,0]=4 26337 B13R1.158 C=C(C)CCOc1cccoc1=O 7a_100000077404_100000730704 [0,3,0,0,0,0|1,0,0]=4 26338 B13R1.158 C=C(C)CCOc1ccncc1Br 34a_100011996408_100000730704 [0,3,0,0,0,0|1,0,0]=4 26339 B13R1.158 C=C(C)CCOc1ccncc1C 34a_100000694293_100000730704 [0,3,0,0,0,0|1,0,0]=4 26340 B13R1.158 C=C(C)CCOc1ccncc1Cl 34a_100011997054_100000730704 [0,3,0,0,0,0|1,0,0]=4 26341 B13R1.158 C=C(C)CCOc1ccncc1F 34a_200000081243_100000730704 [0,3,0,0,0,0|1,0,0]=4 26342 B13R1.158 C=C(C)CCOc1cnccc1C 34a_100011997053_100000730704 [0,3,0,0,0,0|1,0,0]=4 26343 B13R1.158 C=C(C)CCOc1cnccc1C 7a_100011997053_100000730704 [0,3,0,0,0,0|1,0,0]=4 26344 B13R1.158 C=C(C)CCOc1cnccc1Cl 34a_100011996695_100000730704 [0,3,0,0,0,0|1,0,0]=4 26345 B13R1.158 C=C(C)CCOc1cnccc1I 34a_100000050107_100000730704 [0,3,0,0,0,0|1,0,0]=4 26346 B13R1.158 C=C(C)CCOc1cnccc1N 34a_100000753702_100000730704 [0,3,0,0,0,0|1,0,0]=4 26347 B13R1.158 C=C(C)CCOc1coccc1=O 34a_100000060831_100000730704 [0,3,0,0,0,0|1,0,0]=4 26348 B13R1.158 C=C(C)CCOc1ncccc1Cl 34a_100011290957_100000730704 [0,3,0,0,0,0|1,0,0]=4 26349 B13R1.158 C=C(C)CCOc1ncccc1F 34a_100011219419_100000730704 [0,3,0,0,0,0|1,0,0]=4 26350 B13R1.158 C=C(C)CCOc1ncccc1N 34a_100000746358_100000730704 [0,3,0,0,0,0|1,0,0]=4 26351 B13R1.158 C=C(C)CCSc1ccccc1Br 62a_100000695589_100000730704 [0,3,0,0,0,0|0,1,0]=4 26352 B13R1.158 C=C(C)CCSc1ccccc1Br 62a_100000730704_100000695589 [0,3,0,0,0,0|0,1,0]=4 26353 B13R1.158 C=C(C)CCSc1ccccc1C 62a_100000210755_100000730704 [0,3,0,0,0,0|0,1,0]=4 26354 B13R1.158 C=C(C)CCSc1ccccc1C 62a_100000730704_100000210755 [0,3,0,0,0,0|0,1,0]=4 26355 B13R1.158 C=C(C)CCSc1ccccc1Cl 62a_100000730704_100000764095 [0,3,0,0,0,0|0,1,0]=4 26356 B13R1.158 C=C(C)CCSc1ccccc1Cl 62a_100000764095_100000730704 [0,3,0,0,0,0|0,1,0]=4 26357 B13R1.158 C=C(C)CCSc1ccccc1F 62a_100000730704_100011215700 [0,3,0,0,0,0|0,1,0]=4 26358 B13R1.158 C=C(C)CCSc1ccccc1F 62a_100011215700_100000730704 [0,3,0,0,0,0|0,1,0]=4 26359 B13R1.158 C=C(C)CCSc1ccccc1N 62a_100000210017_100000730704 [0,3,0,0,0,0|0,1,0]=4 26360 B13R1.158 C=C(C)CCSc1ccccc1N 62a_100000730704_100000210017 [0,3,0,0,0,0|0,1,0]=4 26361 B13R1.158 C=C(C)CCSc1ccccc1O 62a_100000730704_100000739446 [0,3,0,0,0,0|0,1,0]=4 26362 B13R1.158 C=C(C)CCSc1ccccc1O 62a_100000739446_100000730704 [0,3,0,0,0,0|0,1,0]=4 26363 B13R1.158 C=C(C)CNCc1ccccc1Br 2230a_100000689332_100000748629 [0,3,0,0,0,0|1,0,0]=4 26364 B13R1.158 C=C(C)CNCc1ccccc1Br 34a_100000689332_100000748629 [0,3,0,0,0,0|1,0,0]=4 26365 B13R1.158 C=C(C)CNCc1ccccc1C 34a_100000174972_100000748629 [0,3,0,0,0,0|1,0,0]=4 26366 B13R1.158 C=C(C)CNCc1ccccc1Cl 2230a_100000174879_100000748629 [0,3,0,0,0,0|1,0,0]=4 26367 B13R1.158 C=C(C)CNCc1ccccc1Cl 34a_100000174879_100000748629 [0,3,0,0,0,0|1,0,0]=4 26368 B13R1.158 C=C(C)CNCc1ccccc1F 34a_100000174869_100000748629 [0,3,0,0,0,0|1,0,0]=4 26369 B13R1.158 C=C(C)CNCc1ccccc1O 34a_100000185550_100000748629 [0,3,0,0,0,0|1,0,0]=4 26370 B13R1.158 C=C(C)COCc1ccccc1Br 34a_100000210245_100000184730 [0,3,0,0,0,0|0,0,0]=3 26371 B13R1.158 C=C(C)COCc1ccccc1Br 34a_100000756307_100000748629 [0,3,0,0,0,0|0,0,0]=3 26372 B13R1.158 C=C(C)COCc1ccccc1Br 7a_100000756307_100000748629 [0,3,0,0,0,0|0,0,0]=3 26373 B13R1.158 C=C(C)COCc1ccccc1C 34a_100000210245_100000211839 [0,3,0,0,0,0|0,0,0]=3 26374 B13R1.158 C=C(C)COCc1ccccc1C 34a_100000698903_100000748629 [0,3,0,0,0,0|0,0,0]=3 26375 B13R1.158 C=C(C)COCc1ccccc1C 7a_100000698903_100000748629 [0,3,0,0,0,0|0,0,0]=3 26376 B13R1.158 C=C(C)COCc1ccccc1Cl 34a_100000210245_100000187162 [0,3,0,0,0,0|0,0,0]=3 26377 B13R1.158 C=C(C)COCc1ccccc1Cl 34a_100000210847_100000748629 [0,3,0,0,0,0|0,0,0]=3 26378 B13R1.158 C=C(C)COCc1ccccc1Cl 7a_100000210847_100000748629 [0,3,0,0,0,0|0,0,0]=3 26379 B13R1.158 C=C(C)COCc1ccccc1F 34a_100000210245_100000211605 [0,3,0,0,0,0|0,0,0]=3 26380 B13R1.158 C=C(C)COCc1ccccc1F 34a_100000211962_100000748629 [0,3,0,0,0,0|0,0,0]=3 26381 B13R1.158 C=C(C)COCc1ccccc1F 7a_100000211962_100000748629 [0,3,0,0,0,0|0,0,0]=3 26382 B13R1.158 C=C(C)COCc1ccccc1I 34a_100000187465_100000748629 [0,3,0,0,0,0|0,0,0]=3 26383 B13R1.158 C=C(C)COCc1ccccc1I 34a_100000210245_100011215278 [0,3,0,0,0,0|0,0,0]=3 26384 B13R1.158 C=C(C)COCc1ccccc1I 7a_100000187465_100000748629 [0,3,0,0,0,0|0,0,0]=3 26385 B13R1.158 C=C(C)COCc1ccccc1N 34a_100000212039_100000748629 [0,3,0,0,0,0|0,0,0]=3 26386 B13R1.158 C=C(C)COCc1cccnc1Br 34a_100000210245_100010140945 [0,3,0,0,0,0|1,0,0]=4 26387 B13R1.158 C=C(C)COCc1cccnc1Br 34a_100000719692_100000748629 [0,3,0,0,0,0|1,0,0]=4 26388 B13R1.158 C=C(C)COCc1cccnc1Br 7a_100000719692_100000748629 [0,3,0,0,0,0|1,0,0]=4 26389 B13R1.158 C=C(C)COCc1cccnc1C 34a_100000210245_100000732876 [0,3,0,0,0,0|1,0,0]=4 26390 B13R1.158 C=C(C)COCc1cccnc1C 34a_100000729262_100000748629 [0,3,0,0,0,0|1,0,0]=4 26391 B13R1.158 C=C(C)COCc1cccnc1C 7a_100000729262_100000748629 [0,3,0,0,0,0|1,0,0]=4 26392 B13R1.158 C=C(C)COCc1cccnc1Cl 34a_100000210245_100000045678 [0,3,0,0,0,0|1,0,0]=4 26393 B13R1.158 C=C(C)COCc1cccnc1Cl 34a_100000748726_100000748629 [0,3,0,0,0,0|1,0,0]=4 26394 B13R1.158 C=C(C)COCc1cccnc1Cl 7a_100000748726_100000748629 [0,3,0,0,0,0|1,0,0]=4 26395 B13R1.158 C=C(C)COCc1cccnc1F 34a_100000079888_100000748629 [0,3,0,0,0,0|1,0,0]=4 26396 B13R1.158 C=C(C)COCc1cccnc1F 34a_100000210245_100000099810 [0,3,0,0,0,0|1,0,0]=4 26397 B13R1.158 C=C(C)COCc1cccnc1F 7a_100000079888_100000748629 [0,3,0,0,0,0|1,0,0]=4 26398 B13R1.158 C=C(C)COCc1ccncc1C 34a_100000210245_100020672809 [0,3,0,0,0,0|1,0,0]=4 26399 B13R1.158 C=C(C)COCc1ccncc1C 34a_100011997032_100000748629 [0,3,0,0,0,0|1,0,0]=4 26400 B13R1.158 C=C(C)COCc1ccncc1F 34a_100012172863_100000748629 [0,3,0,0,0,0|1,0,0]=4 26401 B13R1.158 C=C(C)COCc1cnccc1C 34a_100000210245_100000690890 [0,3,0,0,0,0|1,0,0]=4 26402 B13R1.158 C=C(C)COCc1cnccc1C 34a_100011996381_100000748629 [0,3,0,0,0,0|1,0,0]=4 26403 B13R1.158 C=C(C)COCc1cnccc1Cl 34a_100000117392_100000748629 [0,3,0,0,0,0|1,0,0]=4 26404 B13R1.158 C=C(C)COCc1ncccc1Br 34a_100000210245_100025702911 [0,3,0,0,0,0|1,0,0]=4 26405 B13R1.158 C=C(C)COCc1ncccc1Br 34a_100011996772_100000748629 [0,3,0,0,0,0|1,0,0]=4 26406 B13R1.158 C=C(C)COCc1ncccc1C 34a_100000210245_100000696600 [0,3,0,0,0,0|1,0,0]=4 26407 B13R1.158 C=C(C)COCc1ncccc1C 34a_100000698912_100000748629 [0,3,0,0,0,0|1,0,0]=4 26408 B13R1.158 C=C(C)COCc1ncccc1Cl 34a_100012002383_100000748629 [0,3,0,0,0,0|1,0,0]=4 26409 B13R1.158 C=C(C)COCc1ncccc1F 34a_100000210245_100000104219 [0,3,0,0,0,0|1,0,0]=4 26410 B13R1.158 C=C(C)COCc1ncccc1F 34a_100011934865_100000748629 [0,3,0,0,0,0|1,0,0]=4 26411 B13R1.158 C=C(C)COCc1ncccc1N 34a_114873767017_100000748629 [0,3,0,0,0,0|1,0,0]=4 26412 B13R1.158 C=C(C)COCc1ncccc1O 34a_100000210245_200020655725 [0,3,0,0,0,0|1,0,0]=4 26413 B13R1.158 C=C(C)CSCc1ccccc1Br 62a_100000184730_100000211660 [0,3,0,0,0,0|0,1,0]=4 26414 B13R1.158 C=C(C)CSCc1ccccc1Br 62a_100000748629_100000184730 [0,3,0,0,0,0|0,1,0]=4 26415 B13R1.158 C=C(C)CSCc1ccccc1C 62a_100000211839_100000211660 [0,3,0,0,0,0|0,1,0]=4 26416 B13R1.158 C=C(C)CSCc1ccccc1C 62a_100000748629_100000211839 [0,3,0,0,0,0|0,1,0]=4 26417 B13R1.158 C=C(C)CSCc1ccccc1Cl 62a_100000187162_100000211660 [0,3,0,0,0,0|0,1,0]=4 26418 B13R1.158 C=C(C)CSCc1ccccc1Cl 62a_100000748629_100000187162 [0,3,0,0,0,0|0,1,0]=4 26419 B13R1.158 C=C(C)CSCc1ccccc1F 62a_100000211605_100000211660 [0,3,0,0,0,0|0,1,0]=4 26420 B13R1.158 C=C(C)CSCc1ccccc1F 62a_100000748629_100000211605 [0,3,0,0,0,0|0,1,0]=4 26421 B13R1.158 C=C(C)CSCc1ccccc1I 62a_100000748629_100011216222 [0,3,0,0,0,0|0,1,0]=4 26422 B13R1.158 C=C(C)CSCc1ccccc1I 62a_100011216222_100000211660 [0,3,0,0,0,0|0,1,0]=4 26423 B13R1.158 C=C(F)CNCc1ccccc1Br 2230a_100000689332_100009893438 [0,3,0,0,0,0|1,0,0]=4 26424 B13R1.158 C=C(F)CNCc1ccccc1Br 34a_100000689332_100009893438 [0,3,0,0,0,0|1,0,0]=4 26425 B13R1.158 C=C(F)CNCc1ccccc1C 34a_100000174972_100009893438 [0,3,0,0,0,0|1,0,0]=4 26426 B13R1.158 C=C(F)CNCc1ccccc1Cl 2230a_100000174879_100009893438 [0,3,0,0,0,0|1,0,0]=4 26427 B13R1.158 C=C(F)CNCc1ccccc1Cl 34a_100000174879_100009893438 [0,3,0,0,0,0|1,0,0]=4 26428 B13R1.158 C=C(F)CNCc1ccccc1F 34a_100000174869_100009893438 [0,3,0,0,0,0|1,0,0]=4 26429 B13R1.158 C=C(F)CNCc1ccccc1O 34a_100000185550_100009893438 [0,3,0,0,0,0|1,0,0]=4 26430 B13R1.158 C=C(F)COCc1ccccc1Br 34a_100000756307_100009893438 [0,3,0,0,0,0|0,0,0]=3 26431 B13R1.158 C=C(F)COCc1ccccc1Br 34a_200010262243_100000184730 [0,3,0,0,0,0|0,0,0]=3 26432 B13R1.158 C=C(F)COCc1ccccc1Br 7a_100000756307_100000042424 [0,3,0,0,0,0|0,0,0]=3 26433 B13R1.158 C=C(F)COCc1ccccc1C 34a_100000698903_100009893438 [0,3,0,0,0,0|0,0,0]=3 26434 B13R1.158 C=C(F)COCc1ccccc1C 34a_200010262243_100000211839 [0,3,0,0,0,0|0,0,0]=3 26435 B13R1.158 C=C(F)COCc1ccccc1C 7a_100000698903_100000042424 [0,3,0,0,0,0|0,0,0]=3 26436 B13R1.158 C=C(F)COCc1ccccc1Cl 34a_100000210847_100009893438 [0,3,0,0,0,0|0,0,0]=3 26437 B13R1.158 C=C(F)COCc1ccccc1Cl 34a_200010262243_100000187162 [0,3,0,0,0,0|0,0,0]=3 26438 B13R1.158 C=C(F)COCc1ccccc1Cl 7a_100000210847_100000042424 [0,3,0,0,0,0|0,0,0]=3 26439 B13R1.158 C=C(F)COCc1ccccc1F 34a_100000211962_100009893438 [0,3,0,0,0,0|0,0,0]=3 26440 B13R1.158 C=C(F)COCc1ccccc1F 34a_200010262243_100000211605 [0,3,0,0,0,0|0,0,0]=3 26441 B13R1.158 C=C(F)COCc1ccccc1F 7a_100000211962_100000042424 [0,3,0,0,0,0|0,0,0]=3 26442 B13R1.158 C=C(F)COCc1ccccc1I 34a_100000187465_100009893438 [0,3,0,0,0,0|0,0,0]=3 26443 B13R1.158 C=C(F)COCc1ccccc1I 34a_200010262243_100011215278 [0,3,0,0,0,0|0,0,0]=3 26444 B13R1.158 C=C(F)COCc1ccccc1I 7a_100000187465_100000042424 [0,3,0,0,0,0|0,0,0]=3 26445 B13R1.158 C=C(F)COCc1ccccc1N 34a_100000212039_100009893438 [0,3,0,0,0,0|0,0,0]=3 26446 B13R1.158 C=C(F)COCc1cccnc1Br 34a_100000719692_100009893438 [0,3,0,0,0,0|1,0,0]=4 26447 B13R1.158 C=C(F)COCc1cccnc1Br 34a_200010262243_100010140945 [0,3,0,0,0,0|1,0,0]=4 26448 B13R1.158 C=C(F)COCc1cccnc1Br 7a_100000719692_100000042424 [0,3,0,0,0,0|1,0,0]=4 26449 B13R1.158 C=C(F)COCc1cccnc1C 34a_100000729262_100009893438 [0,3,0,0,0,0|1,0,0]=4 26450 B13R1.158 C=C(F)COCc1cccnc1C 34a_200010262243_100000732876 [0,3,0,0,0,0|1,0,0]=4 26451 B13R1.158 C=C(F)COCc1cccnc1C 7a_100000729262_100000042424 [0,3,0,0,0,0|1,0,0]=4 26452 B13R1.158 C=C(F)COCc1cccnc1Cl 34a_100000748726_100009893438 [0,3,0,0,0,0|1,0,0]=4 26453 B13R1.158 C=C(F)COCc1cccnc1Cl 34a_200010262243_100000045678 [0,3,0,0,0,0|1,0,0]=4 26454 B13R1.158 C=C(F)COCc1cccnc1Cl 7a_100000748726_100000042424 [0,3,0,0,0,0|1,0,0]=4 26455 B13R1.158 C=C(F)COCc1cccnc1F 34a_100000079888_100009893438 [0,3,0,0,0,0|1,0,0]=4 26456 B13R1.158 C=C(F)COCc1cccnc1F 34a_200010262243_100000099810 [0,3,0,0,0,0|1,0,0]=4 26457 B13R1.158 C=C(F)COCc1cccnc1F 7a_100000079888_100000042424 [0,3,0,0,0,0|1,0,0]=4 26458 B13R1.158 C=C(F)COCc1ccncc1C 34a_100011997032_100009893438 [0,3,0,0,0,0|1,0,0]=4 26459 B13R1.158 C=C(F)COCc1ccncc1C 34a_200010262243_100020672809 [0,3,0,0,0,0|1,0,0]=4 26460 B13R1.158 C=C(F)COCc1ccncc1F 34a_100012172863_100009893438 [0,3,0,0,0,0|1,0,0]=4 26461 B13R1.158 C=C(F)COCc1cnccc1C 34a_100011996381_100009893438 [0,3,0,0,0,0|1,0,0]=4 26462 B13R1.158 C=C(F)COCc1cnccc1C 34a_200010262243_100000690890 [0,3,0,0,0,0|1,0,0]=4 26463 B13R1.158 C=C(F)COCc1cnccc1Cl 34a_100000117392_100009893438 [0,3,0,0,0,0|1,0,0]=4 26464 B13R1.158 C=C(F)COCc1ncccc1Br 34a_100011996772_100009893438 [0,3,0,0,0,0|1,0,0]=4 26465 B13R1.158 C=C(F)COCc1ncccc1Br 34a_200010262243_100025702911 [0,3,0,0,0,0|1,0,0]=4 26466 B13R1.158 C=C(F)COCc1ncccc1C 34a_100000698912_100009893438 [0,3,0,0,0,0|1,0,0]=4 26467 B13R1.158 C=C(F)COCc1ncccc1C 34a_200010262243_100000696600 [0,3,0,0,0,0|1,0,0]=4 26468 B13R1.158 C=C(F)COCc1ncccc1Cl 34a_100012002383_100009893438 [0,3,0,0,0,0|1,0,0]=4 26469 B13R1.158 C=C(F)COCc1ncccc1F 34a_100011934865_100009893438 [0,3,0,0,0,0|1,0,0]=4 26470 B13R1.158 C=C(F)COCc1ncccc1F 34a_200010262243_100000104219 [0,3,0,0,0,0|1,0,0]=4 26471 B13R1.158 C=C(F)COCc1ncccc1N 34a_114873767017_100009893438 [0,3,0,0,0,0|1,0,0]=4 26472 B13R1.158 C=C(F)COCc1ncccc1O 34a_200010262243_200020655725 [0,3,0,0,0,0|1,0,0]=4 26473 B13R1.158 C=C(F)CSCc1ccccc1Br 62a_100000042424_100000184730 [0,3,0,0,0,0|0,1,0]=4 26474 B13R1.158 C=C(F)CSCc1ccccc1Br 62a_100000184730_100000042424 [0,3,0,0,0,0|0,1,0]=4 26475 B13R1.158 C=C(F)CSCc1ccccc1C 62a_100000042424_100000211839 [0,3,0,0,0,0|0,1,0]=4 26476 B13R1.158 C=C(F)CSCc1ccccc1C 62a_100000211839_100000042424 [0,3,0,0,0,0|0,1,0]=4 26477 B13R1.158 C=C(F)CSCc1ccccc1Cl 62a_100000042424_100000187162 [0,3,0,0,0,0|0,1,0]=4 26478 B13R1.158 C=C(F)CSCc1ccccc1Cl 62a_100000187162_100000042424 [0,3,0,0,0,0|0,1,0]=4 26479 B13R1.158 C=C(F)CSCc1ccccc1F 62a_100000042424_100000211605 [0,3,0,0,0,0|0,1,0]=4 26480 B13R1.158 C=C(F)CSCc1ccccc1F 62a_100000211605_100000042424 [0,3,0,0,0,0|0,1,0]=4 26481 B13R1.158 C=C(F)CSCc1ccccc1I 62a_100000042424_100011216222 [0,3,0,0,0,0|0,1,0]=4 26482 B13R1.158 C=C(F)CSCc1ccccc1I 62a_100011216222_100000042424 [0,3,0,0,0,0|0,1,0]=4 26483 B13R1.158 CC(=CCNc1ccccc1Br)C 34a_100000210017_100000761012 [0,3,0,0,0,0|1,0,0]=4 26484 B13R1.158 CC(=CCNc1ccccc1C)C 34a_100015192222_100000761012 [0,3,0,0,0,0|1,0,0]=4 26485 B13R1.158 CC(=CCNc1ccccc1Cl)C 34a_100000185783_100000761012 [0,3,0,0,0,0|1,0,0]=4 26486 B13R1.158 CC(=CCNc1ccccc1F)C 34a_100000210422_100000761012 [0,3,0,0,0,0|1,0,0]=4 26487 B13R1.158 CC(=CCNc1ccccc1I)C 34a_100000210053_100000761012 [0,3,0,0,0,0|1,0,0]=4 26488 B13R1.158 CC(=CCNc1ccccc1O)C 34a_100000185747_100000761012 [0,3,0,0,0,0|1,0,0]=4 26489 B13R1.158 CC(=CCOc1cccc[n+]1[O-])C 7a_100000211761_100000761012 [0,3,0,0,0,0|1,0,0]=4 26490 B13R1.158 CC(=CCOc1ccccc1Br)C 34a_100000181306_100000761012 [0,3,0,0,0,0|0,0,0]=3 26491 B13R1.158 CC(=CCOc1ccccc1Br)C 7a_100000181306_100000761012 [0,3,0,0,0,0|0,0,0]=3 26492 B13R1.158 CC(=CCOc1ccccc1C)C 34a_100000210338_100000761012 [0,3,0,0,0,0|0,0,0]=3 26493 B13R1.158 CC(=CCOc1ccccc1C)C 7a_100000210338_100000761012 [0,3,0,0,0,0|0,0,0]=3 26494 B13R1.158 CC(=CCOc1ccccc1Cl)C 34a_100000210172_100000761012 [0,3,0,0,0,0|0,0,0]=3 26495 B13R1.158 CC(=CCOc1ccccc1Cl)C 7a_100000210172_100000761012 [0,3,0,0,0,0|0,0,0]=3 26496 B13R1.158 CC(=CCOc1ccccc1F)C 34a_100000210171_100000761012 [0,3,0,0,0,0|0,0,0]=3 26497 B13R1.158 CC(=CCOc1ccccc1F)C 7a_100000210171_100000761012 [0,3,0,0,0,0|0,0,0]=3 26498 B13R1.158 CC(=CCOc1ccccc1I)C 34a_100000739446_100000761012 [0,3,0,0,0,0|0,0,0]=3 26499 B13R1.158 CC(=CCOc1ccccc1I)C 7a_100000739446_100000761012 [0,3,0,0,0,0|0,0,0]=3 26500 B13R1.158 CC(=CCOc1ccccc1N)C 34a_100000185747_100000761012 [0,3,0,0,0,0|0,0,0]=3 26501 B13R1.158 CC(=CCOc1ccccc1N)C 7a_100000185747_100000761012 [0,3,0,0,0,0|0,0,0]=3 26502 B13R1.158 CC(=CCOc1cccnc1Br)C 34a_100000744436_100000761012 [0,3,0,0,0,0|1,0,0]=4 26503 B13R1.158 CC(=CCOc1cccnc1Br)C 7a_100000744436_100000761012 [0,3,0,0,0,0|1,0,0]=4 26504 B13R1.158 CC(=CCOc1cccnc1C)C 34a_100000745507_100000761012 [0,3,0,0,0,0|1,0,0]=4 26505 B13R1.158 CC(=CCOc1cccnc1C)C 7a_100000745507_100000761012 [0,3,0,0,0,0|1,0,0]=4 26506 B13R1.158 CC(=CCOc1cccnc1Cl)C 34a_100000757616_100000761012 [0,3,0,0,0,0|1,0,0]=4 26507 B13R1.158 CC(=CCOc1cccnc1Cl)C 7a_100000757616_100000761012 [0,3,0,0,0,0|1,0,0]=4 26508 B13R1.158 CC(=CCOc1cccnc1F)C 34a_100000061740_100000761012 [0,3,0,0,0,0|1,0,0]=4 26509 B13R1.158 CC(=CCOc1cccnc1F)C 7a_100000061740_100000761012 [0,3,0,0,0,0|1,0,0]=4 26510 B13R1.158 CC(=CCOc1cccnc1I)C 34a_100000034122_100000761012 [0,3,0,0,0,0|1,0,0]=4 26511 B13R1.158 CC(=CCOc1cccnc1I)C 7a_100000034122_100000761012 [0,3,0,0,0,0|1,0,0]=4 26512 B13R1.158 CC(=CCOc1cccnc1N)C 34a_100000211975_100000761012 [0,3,0,0,0,0|1,0,0]=4 26513 B13R1.158 CC(=CCOc1cccnc1N)C 7a_100000211975_100000761012 [0,3,0,0,0,0|1,0,0]=4 26514 B13R1.158 CC(=CCOc1cccoc1=O)C 34a_100000077404_100000761012 [0,3,0,0,0,0|1,0,0]=4 26515 B13R1.158 CC(=CCOc1cccoc1=O)C 7a_100000077404_100000761012 [0,3,0,0,0,0|1,0,0]=4 26516 B13R1.158 CC(=CCOc1ccncc1Br)C 34a_100011996408_100000761012 [0,3,0,0,0,0|1,0,0]=4 26517 B13R1.158 CC(=CCOc1ccncc1C)C 34a_100000694293_100000761012 [0,3,0,0,0,0|1,0,0]=4 26518 B13R1.158 CC(=CCOc1ccncc1Cl)C 34a_100011997054_100000761012 [0,3,0,0,0,0|1,0,0]=4 26519 B13R1.158 CC(=CCOc1ccncc1F)C 34a_200000081243_100000761012 [0,3,0,0,0,0|1,0,0]=4 26520 B13R1.158 CC(=CCOc1cnccc1C)C 34a_100011997053_100000761012 [0,3,0,0,0,0|1,0,0]=4 26521 B13R1.158 CC(=CCOc1cnccc1C)C 7a_100011997053_100000761012 [0,3,0,0,0,0|1,0,0]=4 26522 B13R1.158 CC(=CCOc1cnccc1Cl)C 34a_100011996695_100000761012 [0,3,0,0,0,0|1,0,0]=4 26523 B13R1.158 CC(=CCOc1cnccc1I)C 34a_100000050107_100000761012 [0,3,0,0,0,0|1,0,0]=4 26524 B13R1.158 CC(=CCOc1cnccc1N)C 34a_100000753702_100000761012 [0,3,0,0,0,0|1,0,0]=4 26525 B13R1.158 CC(=CCOc1coccc1=O)C 34a_100000060831_100000761012 [0,3,0,0,0,0|1,0,0]=4 26526 B13R1.158 CC(=CCOc1ncccc1Cl)C 34a_100011290957_100000761012 [0,3,0,0,0,0|1,0,0]=4 26527 B13R1.158 CC(=CCOc1ncccc1F)C 34a_100011219419_100000761012 [0,3,0,0,0,0|1,0,0]=4 26528 B13R1.158 CC(=CCOc1ncccc1N)C 34a_100000746358_100000761012 [0,3,0,0,0,0|1,0,0]=4 26529 B13R1.158 CC(=CCSc1ccccc1Br)C 62a_100000695589_100000761012 [0,3,0,0,0,0|0,1,0]=4 26530 B13R1.158 CC(=CCSc1ccccc1Br)C 62a_100000761012_100000695589 [0,3,0,0,0,0|0,1,0]=4 26531 B13R1.158 CC(=CCSc1ccccc1C)C 62a_100000210755_100000761012 [0,3,0,0,0,0|0,1,0]=4 26532 B13R1.158 CC(=CCSc1ccccc1C)C 62a_100000761012_100000210755 [0,3,0,0,0,0|0,1,0]=4 26533 B13R1.158 CC(=CCSc1ccccc1Cl)C 62a_100000761012_100000764095 [0,3,0,0,0,0|0,1,0]=4 26534 B13R1.158 CC(=CCSc1ccccc1Cl)C 62a_100000764095_100000761012 [0,3,0,0,0,0|0,1,0]=4 26535 B13R1.158 CC(=CCSc1ccccc1F)C 62a_100000761012_100011215700 [0,3,0,0,0,0|0,1,0]=4 26536 B13R1.158 CC(=CCSc1ccccc1F)C 62a_100011215700_100000761012 [0,3,0,0,0,0|0,1,0]=4 26537 B13R1.158 CC(=CCSc1ccccc1N)C 62a_100000210017_100000761012 [0,3,0,0,0,0|0,1,0]=4 26538 B13R1.158 CC(=CCSc1ccccc1N)C 62a_100000761012_100000210017 [0,3,0,0,0,0|0,1,0]=4 26539 B13R1.158 CC(=CCSc1ccccc1O)C 62a_100000739446_100000761012 [0,3,0,0,0,0|0,1,0]=4 26540 B13R1.158 CC(=CCSc1ccccc1O)C 62a_100000761012_100000739446 [0,3,0,0,0,0|0,1,0]=4 26541 B13R1.158 CC(=O)CCOc1ccccc1Br 1458a_100000070787_100000695877 [0,3,0,0,0,0|0,0,1]=4 26542 B13R1.158 CC(=O)CCOc1ccccc1Br 1458a_100000740817_200000210301 [0,3,0,0,0,0|0,0,1]=4 26543 B13R1.158 CC(=O)CCOc1ccccc1Br 7a_100000181306_100000053229 [0,3,0,0,0,0|0,0,1]=4 26544 B13R1.158 CC(=O)CCOc1ccccc1C 1458a_100000070787_100000184434 [0,3,0,0,0,0|0,0,1]=4 26545 B13R1.158 CC(=O)CCOc1ccccc1C 1458a_100000182324_200000210301 [0,3,0,0,0,0|0,0,1]=4 26546 B13R1.158 CC(=O)CCOc1ccccc1C 7a_100000210338_100000053229 [0,3,0,0,0,0|0,0,1]=4 26547 B13R1.158 CC(=O)CCOc1ccccc1Cl 1458a_100000240438_200000210301 [0,3,0,0,0,0|0,0,1]=4 26548 B13R1.158 CC(=O)CCOc1ccccc1Cl 7a_100000210172_100000053229 [0,3,0,0,0,0|0,0,1]=4 26549 B13R1.158 CC(=O)CCOc1ccccc1F 1458a_100000070787_100000183290 [0,3,0,0,0,0|0,0,1]=4 26550 B13R1.158 CC(=O)CCOc1ccccc1F 1458a_100000184057_200000210301 [0,3,0,0,0,0|0,0,1]=4 26551 B13R1.158 CC(=O)CCOc1ccccc1F 7a_100000210171_100000053229 [0,3,0,0,0,0|0,0,1]=4 26552 B13R1.158 CC(=O)CCOc1ccccc1I 7a_100000739446_100000053229 [0,3,0,0,0,0|0,0,1]=4 26553 B13R1.158 CC(=O)CCOc1ccccc1N 7a_100000185747_100000053229 [0,3,0,0,0,0|0,0,1]=4 26554 B13R1.158 CC(=O)COCc1ccccc1Br 34a_100000211253_100000184730 [0,3,0,0,0,0|0,0,1]=4 26555 B13R1.158 CC(=O)COCc1ccccc1C 34a_100000211253_100000211839 [0,3,0,0,0,0|0,0,1]=4 26556 B13R1.158 CC(=O)COCc1ccccc1Cl 34a_100000211253_100000187162 [0,3,0,0,0,0|0,0,1]=4 26557 B13R1.158 CC(=O)COCc1ccccc1F 34a_100000211253_100000211605 [0,3,0,0,0,0|0,0,1]=4 26558 B13R1.158 CC(=O)COCc1ccccc1I 34a_100000211253_100011215278 [0,3,0,0,0,0|0,0,1]=4 26559 B13R1.158 CC(=O)OCOc1ccccc1Br 34a_100000181306_100009813279 [0,3,0,0,0,0|0,0,1]=4 26560 B13R1.158 CC(=O)OCOc1ccccc1C 34a_100000210338_100009813279 [0,3,0,0,0,0|0,0,1]=4 26561 B13R1.158 CC(=O)OCOc1ccccc1Cl 34a_100000210172_100009813279 [0,3,0,0,0,0|0,0,1]=4 26562 B13R1.158 CC(=O)OCOc1ccccc1F 34a_100000210171_100009813279 [0,3,0,0,0,0|0,0,1]=4 26563 B13R1.158 CC(=O)OCOc1ccccc1I 34a_100000739446_100009813279 [0,3,0,0,0,0|0,0,1]=4 26564 B13R1.158 CC(=O)OCOc1ccccc1N 34a_100000185747_100009813279 [0,3,0,0,0,0|0,0,1]=4 26565 B13R1.158 Cc1ccccc1COCC(=O)N 34a_100000698903_100000187820 [0,3,0,0,0,0|1,0,0]=4 26566 B13R1.158 Cc1ccccc1COCC(=O)N 7a_100000698903_100000187820 [0,3,0,0,0,0|1,0,0]=4 26567 B13R1.158 Cc1ccccc1COCC(=O)[O-] 34a_100000698903_100020667443 [0,3,0,0,0,0|1,0,0]=4 26568 B13R1.158 Cc1ccccc1OCCC(=O)N 34a_100000210338_100000731001 [0,3,0,0,0,0|0,0,1]=4 26569 B13R1.158 Cc1ccccc1OCCC(=O)N 7a_100000210338_100000744528 [0,3,0,0,0,0|0,0,1]=4 26570 B13R1.158 Cc1ccccc1OCCC(=O)[13CH3] 1458a_100000182324_200025704644 [0,3,0,0,0,0|0,0,1]=4 26571 B13R1.158 NC(=O)CCOc1ccccc1Br 34a_100000181306_100000731001 [0,3,0,0,0,0|0,0,1]=4 26572 B13R1.158 NC(=O)CCOc1ccccc1Br 7a_100000181306_100000744528 [0,3,0,0,0,0|0,0,1]=4 26573 B13R1.158 NC(=O)CCOc1ccccc1Cl 34a_100000210172_100000731001 [0,3,0,0,0,0|0,0,1]=4 26574 B13R1.158 NC(=O)CCOc1ccccc1Cl 7a_100000210172_100000744528 [0,3,0,0,0,0|0,0,1]=4 26575 B13R1.158 NC(=O)CCOc1ccccc1F 34a_100000210171_100000731001 [0,3,0,0,0,0|0,0,1]=4 26576 B13R1.158 NC(=O)CCOc1ccccc1F 7a_100000210171_100000744528 [0,3,0,0,0,0|0,0,1]=4 26577 B13R1.158 NC(=O)CCOc1ccccc1I 34a_100000739446_100000731001 [0,3,0,0,0,0|0,0,1]=4 26578 B13R1.158 NC(=O)CCOc1ccccc1I 7a_100000739446_100000744528 [0,3,0,0,0,0|0,0,1]=4 26579 B13R1.158 NC(=O)CCOc1ccccc1N 34a_100000185747_100000731001 [0,3,0,0,0,0|0,0,1]=4 26580 B13R1.158 NC(=O)CCOc1ccccc1N 7a_100000185747_100000744528 [0,3,0,0,0,0|0,0,1]=4 26581 B13R1.158 NC(=O)COCc1ccccc1Br 34a_100000756307_100000187820 [0,3,0,0,0,0|1,0,0]=4 26582 B13R1.158 NC(=O)COCc1ccccc1Br 7a_100000756307_100000187820 [0,3,0,0,0,0|1,0,0]=4 26583 B13R1.158 NC(=O)COCc1ccccc1Cl 34a_100000210847_100000187820 [0,3,0,0,0,0|1,0,0]=4 26584 B13R1.158 NC(=O)COCc1ccccc1Cl 7a_100000210847_100000187820 [0,3,0,0,0,0|1,0,0]=4 26585 B13R1.158 NC(=O)COCc1ccccc1F 34a_100000211962_100000187820 [0,3,0,0,0,0|1,0,0]=4 26586 B13R1.158 NC(=O)COCc1ccccc1F 7a_100000211962_100000187820 [0,3,0,0,0,0|1,0,0]=4 26587 B13R1.158 NC(=O)COCc1ccccc1I 34a_100000187465_100000187820 [0,3,0,0,0,0|1,0,0]=4 26588 B13R1.158 NC(=O)COCc1ccccc1I 7a_100000187465_100000187820 [0,3,0,0,0,0|1,0,0]=4 26589 B13R1.158 NC(=O)COCc1ccccc1N 34a_100000212039_100000187820 [0,3,0,0,0,0|1,0,0]=4 26590 B13R1.158 Nc1ccccc1COCC(=O)[O-] 34a_100000212039_100020667443 [0,3,0,0,0,0|1,0,0]=4 26591 B13R1.158 O=C([O-])COCc1ccccc1Br 34a_100000756307_100020667443 [0,3,0,0,0,0|1,0,0]=4 26592 B13R1.158 O=C([O-])COCc1ccccc1Cl 34a_100000210847_100020667443 [0,3,0,0,0,0|1,0,0]=4 26593 B13R1.158 O=C([O-])COCc1ccccc1F 34a_100000211962_100020667443 [0,3,0,0,0,0|1,0,0]=4 26594 B13R1.158 O=C([O-])COCc1ccccc1I 34a_100000187465_100020667443 [0,3,0,0,0,0|1,0,0]=4 26595 B13R1.158 [13CH3]C(=O)CCOc1ccccc1Br 1458a_100000740817_200025704644 [0,3,0,0,0,0|0,0,1]=4 26596 B13R1.158 [13CH3]C(=O)CCOc1ccccc1Cl 1458a_100000240438_200025704644 [0,3,0,0,0,0|0,0,1]=4 26597 B13R1.158 [13CH3]C(=O)CCOc1ccccc1F 1458a_100000184057_200025704644 [0,3,0,0,0,0|0,0,1]=4 26598 B13R1.470 C=CCC(=O)Cc1ccccc1Br 1458a_100000210193_100000184730 [0,3,0,0,0,0|1,0,0]=4 26599 B13R1.470 C=CCC(=O)Cc1ccccc1Br 1458a_100000751119_100000210623 [0,3,0,0,0,0|1,0,0]=4 26600 B13R1.470 C=CCC(=O)Cc1ccccc1C 1458a_100000210193_100000211839 [0,3,0,0,0,0|1,0,0]=4 26601 B13R1.470 C=CCC(=O)Cc1ccccc1C 1458a_100000212180_100000210623 [0,3,0,0,0,0|1,0,0]=4 26602 B13R1.470 C=CCC(=O)Cc1ccccc1Cl 1458a_100000183793_100000210623 [0,3,0,0,0,0|1,0,0]=4 26603 B13R1.470 C=CCC(=O)Cc1ccccc1Cl 1458a_100000210193_100000187162 [0,3,0,0,0,0|1,0,0]=4 26604 B13R1.470 C=CCC(=O)Cc1ccccc1F 1458a_100000210193_100000187165 [0,3,0,0,0,0|1,0,0]=4 26605 B13R1.470 C=CCC(=O)Cc1ccccc1F 1458a_100000212012_100000210623 [0,3,0,0,0,0|1,0,0]=4 26606 B13R1.470 C=CCC(=O)Cc1ccccc1I 1458a_100000036491_100000210623 [0,3,0,0,0,0|1,0,0]=4 26607 B13R1.470 C=CCC(=O)Cc1ccccc1I 1458a_100000210193_100011216222 [0,3,0,0,0,0|1,0,0]=4 26608 B13R1.470 C=CCC(=O)Cc1ccccc1O 1458a_100000743006_100000210623 [0,3,0,0,0,0|1,0,0]=4 26609 B13R1.470 C=CCC(=O)Nc1ccccc1Br 11a_100000210017_100000210193 [0,3,0,0,0,0|1,0,0]=4 26610 B13R1.470 C=CCC(=O)Nc1ccccc1Br 1626a_100000210017_100000210193 [0,3,0,0,0,0|1,0,0]=4 26611 B13R1.470 C=CCC(=O)Nc1ccccc1C 11a_100015192222_100000210193 [0,3,0,0,0,0|1,0,0]=4 26612 B13R1.470 C=CCC(=O)Nc1ccccc1C 1626a_100015192222_100000210193 [0,3,0,0,0,0|1,0,0]=4 26613 B13R1.470 C=CCC(=O)Nc1ccccc1C 22a_100015192222_100000210193 [0,3,0,0,0,0|1,0,0]=4 26614 B13R1.470 C=CCC(=O)Nc1ccccc1C 527a_100015192222_100000210193 [0,3,0,0,0,0|1,0,0]=4 26615 B13R1.470 C=CCC(=O)Nc1ccccc1Cl 11a_100000185783_100000210193 [0,3,0,0,0,0|1,0,0]=4 26616 B13R1.470 C=CCC(=O)Nc1ccccc1Cl 1626a_100000185783_100000210193 [0,3,0,0,0,0|1,0,0]=4 26617 B13R1.470 C=CCC(=O)Nc1ccccc1Cl 22a_100000185783_100000210193 [0,3,0,0,0,0|1,0,0]=4 26618 B13R1.470 C=CCC(=O)Nc1ccccc1Cl 527a_100000185783_100000210193 [0,3,0,0,0,0|1,0,0]=4 26619 B13R1.470 C=CCC(=O)Nc1ccccc1F 11a_100000210422_100000210193 [0,3,0,0,0,0|1,0,0]=4 26620 B13R1.470 C=CCC(=O)Nc1ccccc1F 1626a_100000210422_100000210193 [0,3,0,0,0,0|1,0,0]=4 26621 B13R1.470 C=CCC(=O)Nc1ccccc1F 22a_100000210422_100000210193 [0,3,0,0,0,0|1,0,0]=4 26622 B13R1.470 C=CCC(=O)Nc1ccccc1F 527a_100000210422_100000210193 [0,3,0,0,0,0|1,0,0]=4 26623 B13R1.470 C=CCC(=O)Nc1ccccc1I 11a_100000210053_100000210193 [0,3,0,0,0,0|1,0,0]=4 26624 B13R1.470 C=CCC(=O)Nc1ccccc1I 1626a_100000210053_100000210193 [0,3,0,0,0,0|1,0,0]=4 26625 B13R1.470 C=CCC(=O)Nc1ccccc1O 22a_100000185747_100000210193 [0,3,0,0,0,0|1,0,0]=4 26626 B13R1.470 C=CCC(=O)Nc1ccccc1O 527a_100000185747_100000210193 [0,3,0,0,0,0|1,0,0]=4 26627 B13R1.470 C=CCN(C)Cc1ccccc1Br 2230a_100000184654_100000210623 [0,3,0,0,0,0|1,0,0]=4 26628 B13R1.470 C=CCN(C)Cc1ccccc1Br 2230a_100000225617_100000184730 [0,3,0,0,0,0|1,0,0]=4 26629 B13R1.470 C=CCN(C)Cc1ccccc1Br 269982a_100000184654_100000210623 [0,3,0,0,0,0|1,0,0]=4 26630 B13R1.470 C=CCN(C)Cc1ccccc1Br 269982a_100000225617_100000184730 [0,3,0,0,0,0|1,0,0]=4 26631 B13R1.470 C=CCN(C)Cc1ccccc1Br 26a_100000225617_100000181306 [0,3,0,0,0,0|1,0,0]=4 26632 B13R1.470 C=CCN(C)Cc1ccccc1Br 270004a_100000225617_100000211189 [0,3,0,0,0,0|1,0,0]=4 26633 B13R1.470 C=CCN(C)Cc1ccccc1C 2230a_100000184421_100000210623 [0,3,0,0,0,0|1,0,0]=4 26634 B13R1.470 C=CCN(C)Cc1ccccc1C 2230a_100000225617_100000211839 [0,3,0,0,0,0|1,0,0]=4 26635 B13R1.470 C=CCN(C)Cc1ccccc1C 2230a_200015183989_200000210301 [0,3,0,0,0,0|1,0,0]=4 26636 B13R1.470 C=CCN(C)Cc1ccccc1C 269982a_100000184421_100000210623 [0,3,0,0,0,0|1,0,0]=4 26637 B13R1.470 C=CCN(C)Cc1ccccc1C 269982a_100000225617_100000211839 [0,3,0,0,0,0|1,0,0]=4 26638 B13R1.470 C=CCN(C)Cc1ccccc1C 269982a_200015183989_200000210301 [0,3,0,0,0,0|1,0,0]=4 26639 B13R1.470 C=CCN(C)Cc1ccccc1C 270004a_100000225617_100000211143 [0,3,0,0,0,0|1,0,0]=4 26640 B13R1.470 C=CCN(C)Cc1ccccc1C 34a_200015183989_200000210301 [0,3,0,0,0,0|1,0,0]=4 26641 B13R1.470 C=CCN(C)Cc1ccccc1Cl 2230a_100000184507_100000210623 [0,3,0,0,0,0|1,0,0]=4 26642 B13R1.470 C=CCN(C)Cc1ccccc1Cl 2230a_100000225617_100000187162 [0,3,0,0,0,0|1,0,0]=4 26643 B13R1.470 C=CCN(C)Cc1ccccc1Cl 2230a_200015185268_200000210301 [0,3,0,0,0,0|1,0,0]=4 26644 B13R1.470 C=CCN(C)Cc1ccccc1Cl 269982a_100000184507_100000210623 [0,3,0,0,0,0|1,0,0]=4 26645 B13R1.470 C=CCN(C)Cc1ccccc1Cl 269982a_100000225617_100000187162 [0,3,0,0,0,0|1,0,0]=4 26646 B13R1.470 C=CCN(C)Cc1ccccc1Cl 269982a_200015185268_200000210301 [0,3,0,0,0,0|1,0,0]=4 26647 B13R1.470 C=CCN(C)Cc1ccccc1Cl 26a_100000225617_100000210172 [0,3,0,0,0,0|1,0,0]=4 26648 B13R1.470 C=CCN(C)Cc1ccccc1Cl 270004a_100000225617_100000210073 [0,3,0,0,0,0|1,0,0]=4 26649 B13R1.470 C=CCN(C)Cc1ccccc1Cl 34a_200015185268_200000210301 [0,3,0,0,0,0|1,0,0]=4 26650 B13R1.470 C=CCN(C)Cc1ccccc1F 2230a_100000225617_100000211605 [0,3,0,0,0,0|1,0,0]=4 26651 B13R1.470 C=CCN(C)Cc1ccccc1F 2230a_100000742528_100000210623 [0,3,0,0,0,0|1,0,0]=4 26652 B13R1.470 C=CCN(C)Cc1ccccc1F 269982a_100000225617_100000211605 [0,3,0,0,0,0|1,0,0]=4 26653 B13R1.470 C=CCN(C)Cc1ccccc1F 269982a_100000742528_100000210623 [0,3,0,0,0,0|1,0,0]=4 26654 B13R1.470 C=CCN(C)Cc1ccccc1F 270004a_100000225617_100000210811 [0,3,0,0,0,0|1,0,0]=4 26655 B13R1.470 C=CCN(C)Cc1ccccc1F 34a_100000742528_100015514636 [0,3,0,0,0,0|1,0,0]=4 26656 B13R1.470 C=CCN(C)Cc1ccccc1I 2230a_100000225617_100011215278 [0,3,0,0,0,0|1,0,0]=4 26657 B13R1.470 C=CCN(C)Cc1ccccc1I 269982a_100000225617_100011215278 [0,3,0,0,0,0|1,0,0]=4 26658 B13R1.470 C=CCN(C)Cc1ccccc1I 270004a_100000225617_100000010305 [0,3,0,0,0,0|1,0,0]=4 26659 B13R1.470 C=CCN(C)Cc1ccccc1O 2230a_100015189988_100000210623 [0,3,0,0,0,0|1,0,0]=4 26660 B13R1.470 C=CCN(C)Cc1ccccc1O 269982a_100015189988_100000210623 [0,3,0,0,0,0|1,0,0]=4 26661 B13R1.470 C=CCN([13CH3])Cc1ccccc1C 2230a_200015183989_200025704644 [0,3,0,0,0,0|1,0,0]=4 26662 B13R1.470 C=CCN([13CH3])Cc1ccccc1C 269982a_200015183989_200025704644 [0,3,0,0,0,0|1,0,0]=4 26663 B13R1.470 C=CCN([13CH3])Cc1ccccc1C 34a_200015183989_200025704644 [0,3,0,0,0,0|1,0,0]=4 26664 B13R1.470 C=CCN([13CH3])Cc1ccccc1Cl 2230a_200015185268_200025704644 [0,3,0,0,0,0|1,0,0]=4 26665 B13R1.470 C=CCN([13CH3])Cc1ccccc1Cl 269982a_200015185268_200025704644 [0,3,0,0,0,0|1,0,0]=4 26666 B13R1.470 C=CCN([13CH3])Cc1ccccc1Cl 34a_200015185268_200025704644 [0,3,0,0,0,0|1,0,0]=4 26667 B13R1.555 C/C=C/CNCc1ccccc1Br 34a_100000689332_100102629194 [0,3,0,0,0,0|1,0,0]=4 26668 B13R1.555 C/C=C/CNCc1ccccc1C 34a_100000174972_100102629194 [0,3,0,0,0,0|1,0,0]=4 26669 B13R1.555 C/C=C/CNCc1ccccc1Cl 34a_100000174879_100102629194 [0,3,0,0,0,0|1,0,0]=4 26670 B13R1.555 C/C=C/CNCc1ccccc1F 34a_100000174869_100102629194 [0,3,0,0,0,0|1,0,0]=4 26671 B13R1.555 C/C=C/CNCc1ccccc1O 34a_100000185550_100102629194 [0,3,0,0,0,0|1,0,0]=4 26672 B13R1.555 C/C=C/COCc1ccccc1Br 34a_100000756307_100102629194 [0,3,0,0,0,0|0,0,0]=3 26673 B13R1.555 C/C=C/COCc1ccccc1Br 34a_100016270725_100000184730 [0,3,0,0,0,0|0,0,0]=3 26674 B13R1.555 C/C=C/COCc1ccccc1Br 7a_100000756307_100102629194 [0,3,0,0,0,0|0,0,0]=3 26675 B13R1.555 C/C=C/COCc1ccccc1C 34a_100000698903_100102629194 [0,3,0,0,0,0|0,0,0]=3 26676 B13R1.555 C/C=C/COCc1ccccc1C 34a_100016270725_100000211839 [0,3,0,0,0,0|0,0,0]=3 26677 B13R1.555 C/C=C/COCc1ccccc1C 7a_100000698903_100102629194 [0,3,0,0,0,0|0,0,0]=3 26678 B13R1.555 C/C=C/COCc1ccccc1Cl 34a_100000210847_100102629194 [0,3,0,0,0,0|0,0,0]=3 26679 B13R1.555 C/C=C/COCc1ccccc1Cl 34a_100016270725_100000187162 [0,3,0,0,0,0|0,0,0]=3 26680 B13R1.555 C/C=C/COCc1ccccc1Cl 7a_100000210847_100102629194 [0,3,0,0,0,0|0,0,0]=3 26681 B13R1.555 C/C=C/COCc1ccccc1F 34a_100000211962_100102629194 [0,3,0,0,0,0|0,0,0]=3 26682 B13R1.555 C/C=C/COCc1ccccc1F 34a_100016270725_100000211605 [0,3,0,0,0,0|0,0,0]=3 26683 B13R1.555 C/C=C/COCc1ccccc1F 7a_100000211962_100102629194 [0,3,0,0,0,0|0,0,0]=3 26684 B13R1.555 C/C=C/COCc1ccccc1I 34a_100000187465_100102629194 [0,3,0,0,0,0|0,0,0]=3 26685 B13R1.555 C/C=C/COCc1ccccc1I 34a_100016270725_100011215278 [0,3,0,0,0,0|0,0,0]=3 26686 B13R1.555 C/C=C/COCc1ccccc1I 7a_100000187465_100102629194 [0,3,0,0,0,0|0,0,0]=3 26687 B13R1.555 C/C=C/COCc1ccccc1N 34a_100000212039_100102629194 [0,3,0,0,0,0|0,0,0]=3 26688 B13R1.555 C/C=C/COCc1cccnc1Br 34a_100000719692_100102629194 [0,3,0,0,0,0|1,0,0]=4 26689 B13R1.555 C/C=C/COCc1cccnc1Br 34a_100016270725_100010140945 [0,3,0,0,0,0|1,0,0]=4 26690 B13R1.555 C/C=C/COCc1cccnc1Br 7a_100000719692_100102629194 [0,3,0,0,0,0|1,0,0]=4 26691 B13R1.555 C/C=C/COCc1cccnc1C 34a_100000729262_100102629194 [0,3,0,0,0,0|1,0,0]=4 26692 B13R1.555 C/C=C/COCc1cccnc1C 34a_100016270725_100000732876 [0,3,0,0,0,0|1,0,0]=4 26693 B13R1.555 C/C=C/COCc1cccnc1C 7a_100000729262_100102629194 [0,3,0,0,0,0|1,0,0]=4 26694 B13R1.555 C/C=C/COCc1cccnc1Cl 34a_100000748726_100102629194 [0,3,0,0,0,0|1,0,0]=4 26695 B13R1.555 C/C=C/COCc1cccnc1Cl 34a_100016270725_100000045678 [0,3,0,0,0,0|1,0,0]=4 26696 B13R1.555 C/C=C/COCc1cccnc1Cl 7a_100000748726_100102629194 [0,3,0,0,0,0|1,0,0]=4 26697 B13R1.555 C/C=C/COCc1cccnc1F 34a_100000079888_100102629194 [0,3,0,0,0,0|1,0,0]=4 26698 B13R1.555 C/C=C/COCc1cccnc1F 34a_100016270725_100000099810 [0,3,0,0,0,0|1,0,0]=4 26699 B13R1.555 C/C=C/COCc1cccnc1F 7a_100000079888_100102629194 [0,3,0,0,0,0|1,0,0]=4 26700 B13R1.555 C/C=C/COCc1ccncc1C 34a_100011997032_100102629194 [0,3,0,0,0,0|1,0,0]=4 26701 B13R1.555 C/C=C/COCc1ccncc1C 34a_100016270725_100020672809 [0,3,0,0,0,0|1,0,0]=4 26702 B13R1.555 C/C=C/COCc1ccncc1F 34a_100012172863_100102629194 [0,3,0,0,0,0|1,0,0]=4 26703 B13R1.555 C/C=C/COCc1cnccc1C 34a_100011996381_100102629194 [0,3,0,0,0,0|1,0,0]=4 26704 B13R1.555 C/C=C/COCc1cnccc1C 34a_100016270725_100000690890 [0,3,0,0,0,0|1,0,0]=4 26705 B13R1.555 C/C=C/COCc1cnccc1Cl 34a_100000117392_100102629194 [0,3,0,0,0,0|1,0,0]=4 26706 B13R1.555 C/C=C/COCc1ncccc1Br 34a_100011996772_100102629194 [0,3,0,0,0,0|1,0,0]=4 26707 B13R1.555 C/C=C/COCc1ncccc1Br 34a_100016270725_100025702911 [0,3,0,0,0,0|1,0,0]=4 26708 B13R1.555 C/C=C/COCc1ncccc1C 34a_100000698912_100102629194 [0,3,0,0,0,0|1,0,0]=4 26709 B13R1.555 C/C=C/COCc1ncccc1C 34a_100016270725_100000696600 [0,3,0,0,0,0|1,0,0]=4 26710 B13R1.555 C/C=C/COCc1ncccc1Cl 34a_100012002383_100102629194 [0,3,0,0,0,0|1,0,0]=4 26711 B13R1.555 C/C=C/COCc1ncccc1F 34a_100011934865_100102629194 [0,3,0,0,0,0|1,0,0]=4 26712 B13R1.555 C/C=C/COCc1ncccc1F 34a_100016270725_100000104219 [0,3,0,0,0,0|1,0,0]=4 26713 B13R1.555 C/C=C/COCc1ncccc1N 34a_114873767017_100102629194 [0,3,0,0,0,0|1,0,0]=4 26714 B13R1.555 C/C=C/COCc1ncccc1O 34a_100016270725_200020655725 [0,3,0,0,0,0|1,0,0]=4 26715 B13R1.555 C/C=C/CSCc1ccccc1Br 62a_100000184730_100102629194 [0,3,0,0,0,0|0,1,0]=4 26716 B13R1.555 C/C=C/CSCc1ccccc1Br 62a_100102629194_100000184730 [0,3,0,0,0,0|0,1,0]=4 26717 B13R1.555 C/C=C/CSCc1ccccc1C 62a_100000211839_100102629194 [0,3,0,0,0,0|0,1,0]=4 26718 B13R1.555 C/C=C/CSCc1ccccc1C 62a_100102629194_100000211839 [0,3,0,0,0,0|0,1,0]=4 26719 B13R1.555 C/C=C/CSCc1ccccc1Cl 62a_100000187162_100102629194 [0,3,0,0,0,0|0,1,0]=4 26720 B13R1.555 C/C=C/CSCc1ccccc1Cl 62a_100102629194_100000187162 [0,3,0,0,0,0|0,1,0]=4 26721 B13R1.555 C/C=C/CSCc1ccccc1F 62a_100000211605_100102629194 [0,3,0,0,0,0|0,1,0]=4 26722 B13R1.555 C/C=C/CSCc1ccccc1F 62a_100102629194_100000211605 [0,3,0,0,0,0|0,1,0]=4 26723 B13R1.555 C/C=C/CSCc1ccccc1I 62a_100011216222_100102629194 [0,3,0,0,0,0|0,1,0]=4 26724 B13R1.555 C/C=C/CSCc1ccccc1I 62a_100102629194_100011216222 [0,3,0,0,0,0|0,1,0]=4 26725 B13R1.555 C=CCCCNc1ccccc1Br 34a_100000210017_100000757094 [0,3,0,0,0,0|1,0,0]=4 26726 B13R1.555 C=CCCCNc1ccccc1C 34a_100015192222_100000757094 [0,3,0,0,0,0|1,0,0]=4 26727 B13R1.555 C=CCCCNc1ccccc1Cl 34a_100000185783_100000757094 [0,3,0,0,0,0|1,0,0]=4 26728 B13R1.555 C=CCCCNc1ccccc1F 34a_100000210422_100000757094 [0,3,0,0,0,0|1,0,0]=4 26729 B13R1.555 C=CCCCNc1ccccc1I 34a_100000210053_100000757094 [0,3,0,0,0,0|1,0,0]=4 26730 B13R1.555 C=CCCCNc1ccccc1O 34a_100000185747_100000757094 [0,3,0,0,0,0|1,0,0]=4 26731 B13R1.555 C=CCCCOc1cccc[n+]1[O-] 7a_100000211761_100000757094 [0,3,0,0,0,0|1,0,0]=4 26732 B13R1.555 C=CCCCOc1ccccc1Br 34a_100000181306_100000757094 [0,3,0,0,0,0|0,0,0]=3 26733 B13R1.555 C=CCCCOc1ccccc1Br 7a_100000181306_100000757094 [0,3,0,0,0,0|0,0,0]=3 26734 B13R1.555 C=CCCCOc1ccccc1C 34a_100000210338_100000757094 [0,3,0,0,0,0|0,0,0]=3 26735 B13R1.555 C=CCCCOc1ccccc1C 7a_100000210338_100000757094 [0,3,0,0,0,0|0,0,0]=3 26736 B13R1.555 C=CCCCOc1ccccc1Cl 34a_100000210172_100000757094 [0,3,0,0,0,0|0,0,0]=3 26737 B13R1.555 C=CCCCOc1ccccc1Cl 7a_100000210172_100000757094 [0,3,0,0,0,0|0,0,0]=3 26738 B13R1.555 C=CCCCOc1ccccc1F 34a_100000210171_100000757094 [0,3,0,0,0,0|0,0,0]=3 26739 B13R1.555 C=CCCCOc1ccccc1F 7a_100000210171_100000757094 [0,3,0,0,0,0|0,0,0]=3 26740 B13R1.555 C=CCCCOc1ccccc1I 34a_100000739446_100000757094 [0,3,0,0,0,0|0,0,0]=3 26741 B13R1.555 C=CCCCOc1ccccc1I 7a_100000739446_100000757094 [0,3,0,0,0,0|0,0,0]=3 26742 B13R1.555 C=CCCCOc1ccccc1N 34a_100000185747_100000757094 [0,3,0,0,0,0|0,0,0]=3 26743 B13R1.555 C=CCCCOc1ccccc1N 7a_100000185747_100000757094 [0,3,0,0,0,0|0,0,0]=3 26744 B13R1.555 C=CCCCOc1cccnc1Br 34a_100000744436_100000757094 [0,3,0,0,0,0|1,0,0]=4 26745 B13R1.555 C=CCCCOc1cccnc1Br 7a_100000744436_100000757094 [0,3,0,0,0,0|1,0,0]=4 26746 B13R1.555 C=CCCCOc1cccnc1C 34a_100000745507_100000757094 [0,3,0,0,0,0|1,0,0]=4 26747 B13R1.555 C=CCCCOc1cccnc1C 7a_100000745507_100000757094 [0,3,0,0,0,0|1,0,0]=4 26748 B13R1.555 C=CCCCOc1cccnc1Cl 34a_100000757616_100000757094 [0,3,0,0,0,0|1,0,0]=4 26749 B13R1.555 C=CCCCOc1cccnc1Cl 7a_100000757616_100000757094 [0,3,0,0,0,0|1,0,0]=4 26750 B13R1.555 C=CCCCOc1cccnc1F 34a_100000061740_100000757094 [0,3,0,0,0,0|1,0,0]=4 26751 B13R1.555 C=CCCCOc1cccnc1F 7a_100000061740_100000757094 [0,3,0,0,0,0|1,0,0]=4 26752 B13R1.555 C=CCCCOc1cccnc1I 34a_100000034122_100000757094 [0,3,0,0,0,0|1,0,0]=4 26753 B13R1.555 C=CCCCOc1cccnc1I 7a_100000034122_100000757094 [0,3,0,0,0,0|1,0,0]=4 26754 B13R1.555 C=CCCCOc1cccnc1N 34a_100000211975_100000757094 [0,3,0,0,0,0|1,0,0]=4 26755 B13R1.555 C=CCCCOc1cccnc1N 7a_100000211975_100000757094 [0,3,0,0,0,0|1,0,0]=4 26756 B13R1.555 C=CCCCOc1cccoc1=O 34a_100000077404_100000757094 [0,3,0,0,0,0|1,0,0]=4 26757 B13R1.555 C=CCCCOc1cccoc1=O 7a_100000077404_100000757094 [0,3,0,0,0,0|1,0,0]=4 26758 B13R1.555 C=CCCCOc1ccncc1Br 34a_100011996408_100000757094 [0,3,0,0,0,0|1,0,0]=4 26759 B13R1.555 C=CCCCOc1ccncc1C 34a_100000694293_100000757094 [0,3,0,0,0,0|1,0,0]=4 26760 B13R1.555 C=CCCCOc1ccncc1Cl 34a_100011997054_100000757094 [0,3,0,0,0,0|1,0,0]=4 26761 B13R1.555 C=CCCCOc1ccncc1F 34a_200000081243_100000757094 [0,3,0,0,0,0|1,0,0]=4 26762 B13R1.555 C=CCCCOc1cnccc1C 34a_100011997053_100000757094 [0,3,0,0,0,0|1,0,0]=4 26763 B13R1.555 C=CCCCOc1cnccc1C 7a_100011997053_100000757094 [0,3,0,0,0,0|1,0,0]=4 26764 B13R1.555 C=CCCCOc1cnccc1Cl 34a_100011996695_100000757094 [0,3,0,0,0,0|1,0,0]=4 26765 B13R1.555 C=CCCCOc1cnccc1I 34a_100000050107_100000757094 [0,3,0,0,0,0|1,0,0]=4 26766 B13R1.555 C=CCCCOc1cnccc1N 34a_100000753702_100000757094 [0,3,0,0,0,0|1,0,0]=4 26767 B13R1.555 C=CCCCOc1coccc1=O 34a_100000060831_100000757094 [0,3,0,0,0,0|1,0,0]=4 26768 B13R1.555 C=CCCCOc1ncccc1Cl 34a_100011290957_100000757094 [0,3,0,0,0,0|1,0,0]=4 26769 B13R1.555 C=CCCCOc1ncccc1F 34a_100011219419_100000757094 [0,3,0,0,0,0|1,0,0]=4 26770 B13R1.555 C=CCCCOc1ncccc1N 34a_100000746358_100000757094 [0,3,0,0,0,0|1,0,0]=4 26771 B13R1.555 C=CCCCSc1ccccc1Br 62a_100000695589_100000757094 [0,3,0,0,0,0|0,1,0]=4 26772 B13R1.555 C=CCCCSc1ccccc1Br 62a_100011713584_100000695589 [0,3,0,0,0,0|0,1,0]=4 26773 B13R1.555 C=CCCCSc1ccccc1C 62a_100000210755_100000757094 [0,3,0,0,0,0|0,1,0]=4 26774 B13R1.555 C=CCCCSc1ccccc1C 62a_100011713584_100000210755 [0,3,0,0,0,0|0,1,0]=4 26775 B13R1.555 C=CCCCSc1ccccc1Cl 62a_100000764095_100000757094 [0,3,0,0,0,0|0,1,0]=4 26776 B13R1.555 C=CCCCSc1ccccc1Cl 62a_100011713584_100000764095 [0,3,0,0,0,0|0,1,0]=4 26777 B13R1.555 C=CCCCSc1ccccc1F 62a_100011215700_100000757094 [0,3,0,0,0,0|0,1,0]=4 26778 B13R1.555 C=CCCCSc1ccccc1F 62a_100011713584_100011215700 [0,3,0,0,0,0|0,1,0]=4 26779 B13R1.555 C=CCCCSc1ccccc1N 62a_100000210017_100000757094 [0,3,0,0,0,0|0,1,0]=4 26780 B13R1.555 C=CCCCSc1ccccc1N 62a_100011713584_100000210017 [0,3,0,0,0,0|0,1,0]=4 26781 B13R1.555 C=CCCCSc1ccccc1O 62a_100000739446_100000757094 [0,3,0,0,0,0|0,1,0]=4 26782 B13R1.555 C=CCCCSc1ccccc1O 62a_100011713584_100000739446 [0,3,0,0,0,0|0,1,0]=4 26783 B13R1.555 C=CCCNCc1ccccc1Br 207a_100015191253_100000211189 [0,3,0,0,0,0|1,0,0]=4 26784 B13R1.555 C=CCCNCc1ccccc1Br 2230a_100000689332_100000754431 [0,3,0,0,0,0|1,0,0]=4 26785 B13R1.555 C=CCCNCc1ccccc1Br 2230a_100015191253_100000184730 [0,3,0,0,0,0|1,0,0]=4 26786 B13R1.555 C=CCCNCc1ccccc1Br 270004a_100015191253_100000211189 [0,3,0,0,0,0|1,0,0]=4 26787 B13R1.555 C=CCCNCc1ccccc1Br 34a_100000689332_100000754431 [0,3,0,0,0,0|1,0,0]=4 26788 B13R1.555 C=CCCNCc1ccccc1C 207a_100015191253_100000211143 [0,3,0,0,0,0|1,0,0]=4 26789 B13R1.555 C=CCCNCc1ccccc1C 2230a_100015191253_100000211839 [0,3,0,0,0,0|1,0,0]=4 26790 B13R1.555 C=CCCNCc1ccccc1C 270004a_100015191253_100000211143 [0,3,0,0,0,0|1,0,0]=4 26791 B13R1.555 C=CCCNCc1ccccc1C 34a_100000174972_100000754431 [0,3,0,0,0,0|1,0,0]=4 26792 B13R1.555 C=CCCNCc1ccccc1Cl 207a_100015191253_100000210073 [0,3,0,0,0,0|1,0,0]=4 26793 B13R1.555 C=CCCNCc1ccccc1Cl 2230a_100000174879_100000754431 [0,3,0,0,0,0|1,0,0]=4 26794 B13R1.555 C=CCCNCc1ccccc1Cl 2230a_100015191253_100000187162 [0,3,0,0,0,0|1,0,0]=4 26795 B13R1.555 C=CCCNCc1ccccc1Cl 270004a_100015191253_100000210073 [0,3,0,0,0,0|1,0,0]=4 26796 B13R1.555 C=CCCNCc1ccccc1Cl 34a_100000174879_100000754431 [0,3,0,0,0,0|1,0,0]=4 26797 B13R1.555 C=CCCNCc1ccccc1F 207a_100015191253_100000210811 [0,3,0,0,0,0|1,0,0]=4 26798 B13R1.555 C=CCCNCc1ccccc1F 2230a_100015191253_100000211605 [0,3,0,0,0,0|1,0,0]=4 26799 B13R1.555 C=CCCNCc1ccccc1F 270004a_100015191253_100000210811 [0,3,0,0,0,0|1,0,0]=4 26800 B13R1.555 C=CCCNCc1ccccc1F 34a_100000174869_100000754431 [0,3,0,0,0,0|1,0,0]=4 26801 B13R1.555 C=CCCNCc1ccccc1I 207a_100015191253_100000010305 [0,3,0,0,0,0|1,0,0]=4 26802 B13R1.555 C=CCCNCc1ccccc1I 2230a_100015191253_100011215278 [0,3,0,0,0,0|1,0,0]=4 26803 B13R1.555 C=CCCNCc1ccccc1I 270004a_100015191253_100000010305 [0,3,0,0,0,0|1,0,0]=4 26804 B13R1.555 C=CCCNCc1ccccc1O 34a_100000185550_100000754431 [0,3,0,0,0,0|1,0,0]=4 26805 B13R1.555 C=CCCOCc1ccccc1Br 34a_100000756307_100000754431 [0,3,0,0,0,0|0,0,0]=3 26806 B13R1.555 C=CCCOCc1ccccc1Br 34a_100011205117_100000184730 [0,3,0,0,0,0|0,0,0]=3 26807 B13R1.555 C=CCCOCc1ccccc1Br 7a_100000756307_100000754431 [0,3,0,0,0,0|0,0,0]=3 26808 B13R1.555 C=CCCOCc1ccccc1C 34a_100000698903_100000754431 [0,3,0,0,0,0|0,0,0]=3 26809 B13R1.555 C=CCCOCc1ccccc1C 34a_100011205117_100000211839 [0,3,0,0,0,0|0,0,0]=3 26810 B13R1.555 C=CCCOCc1ccccc1C 7a_100000698903_100000754431 [0,3,0,0,0,0|0,0,0]=3 26811 B13R1.555 C=CCCOCc1ccccc1Cl 34a_100000210847_100000754431 [0,3,0,0,0,0|0,0,0]=3 26812 B13R1.555 C=CCCOCc1ccccc1Cl 34a_100011205117_100000187162 [0,3,0,0,0,0|0,0,0]=3 26813 B13R1.555 C=CCCOCc1ccccc1Cl 7a_100000210847_100000754431 [0,3,0,0,0,0|0,0,0]=3 26814 B13R1.555 C=CCCOCc1ccccc1F 34a_100000211962_100000754431 [0,3,0,0,0,0|0,0,0]=3 26815 B13R1.555 C=CCCOCc1ccccc1F 34a_100011205117_100000211605 [0,3,0,0,0,0|0,0,0]=3 26816 B13R1.555 C=CCCOCc1ccccc1F 7a_100000211962_100000754431 [0,3,0,0,0,0|0,0,0]=3 26817 B13R1.555 C=CCCOCc1ccccc1I 34a_100000187465_100000754431 [0,3,0,0,0,0|0,0,0]=3 26818 B13R1.555 C=CCCOCc1ccccc1I 34a_100011205117_100011215278 [0,3,0,0,0,0|0,0,0]=3 26819 B13R1.555 C=CCCOCc1ccccc1I 7a_100000187465_100000754431 [0,3,0,0,0,0|0,0,0]=3 26820 B13R1.555 C=CCCOCc1ccccc1N 34a_100000212039_100000754431 [0,3,0,0,0,0|0,0,0]=3 26821 B13R1.555 C=CCCOCc1cccnc1Br 34a_100000719692_100000754431 [0,3,0,0,0,0|1,0,0]=4 26822 B13R1.555 C=CCCOCc1cccnc1Br 34a_100011205117_100010140945 [0,3,0,0,0,0|1,0,0]=4 26823 B13R1.555 C=CCCOCc1cccnc1Br 7a_100000719692_100000754431 [0,3,0,0,0,0|1,0,0]=4 26824 B13R1.555 C=CCCOCc1cccnc1C 34a_100000729262_100000754431 [0,3,0,0,0,0|1,0,0]=4 26825 B13R1.555 C=CCCOCc1cccnc1C 34a_100011205117_100000732876 [0,3,0,0,0,0|1,0,0]=4 26826 B13R1.555 C=CCCOCc1cccnc1C 7a_100000729262_100000754431 [0,3,0,0,0,0|1,0,0]=4 26827 B13R1.555 C=CCCOCc1cccnc1Cl 34a_100000748726_100000754431 [0,3,0,0,0,0|1,0,0]=4 26828 B13R1.555 C=CCCOCc1cccnc1Cl 34a_100011205117_100000045678 [0,3,0,0,0,0|1,0,0]=4 26829 B13R1.555 C=CCCOCc1cccnc1Cl 7a_100000748726_100000754431 [0,3,0,0,0,0|1,0,0]=4 26830 B13R1.555 C=CCCOCc1cccnc1F 34a_100000079888_100000754431 [0,3,0,0,0,0|1,0,0]=4 26831 B13R1.555 C=CCCOCc1cccnc1F 34a_100011205117_100000099810 [0,3,0,0,0,0|1,0,0]=4 26832 B13R1.555 C=CCCOCc1cccnc1F 7a_100000079888_100000754431 [0,3,0,0,0,0|1,0,0]=4 26833 B13R1.555 C=CCCOCc1ccncc1C 34a_100011205117_100020672809 [0,3,0,0,0,0|1,0,0]=4 26834 B13R1.555 C=CCCOCc1ccncc1C 34a_100011997032_100000754431 [0,3,0,0,0,0|1,0,0]=4 26835 B13R1.555 C=CCCOCc1ccncc1F 34a_100012172863_100000754431 [0,3,0,0,0,0|1,0,0]=4 26836 B13R1.555 C=CCCOCc1cnccc1C 34a_100011205117_100000690890 [0,3,0,0,0,0|1,0,0]=4 26837 B13R1.555 C=CCCOCc1cnccc1C 34a_100011996381_100000754431 [0,3,0,0,0,0|1,0,0]=4 26838 B13R1.555 C=CCCOCc1cnccc1Cl 34a_100000117392_100000754431 [0,3,0,0,0,0|1,0,0]=4 26839 B13R1.555 C=CCCOCc1ncccc1Br 34a_100011205117_100025702911 [0,3,0,0,0,0|1,0,0]=4 26840 B13R1.555 C=CCCOCc1ncccc1Br 34a_100011996772_100000754431 [0,3,0,0,0,0|1,0,0]=4 26841 B13R1.555 C=CCCOCc1ncccc1C 34a_100000698912_100000754431 [0,3,0,0,0,0|1,0,0]=4 26842 B13R1.555 C=CCCOCc1ncccc1C 34a_100011205117_100000696600 [0,3,0,0,0,0|1,0,0]=4 26843 B13R1.555 C=CCCOCc1ncccc1Cl 34a_100012002383_100000754431 [0,3,0,0,0,0|1,0,0]=4 26844 B13R1.555 C=CCCOCc1ncccc1F 34a_100011205117_100000104219 [0,3,0,0,0,0|1,0,0]=4 26845 B13R1.555 C=CCCOCc1ncccc1F 34a_100011934865_100000754431 [0,3,0,0,0,0|1,0,0]=4 26846 B13R1.555 C=CCCOCc1ncccc1N 34a_114873767017_100000754431 [0,3,0,0,0,0|1,0,0]=4 26847 B13R1.555 C=CCCOCc1ncccc1O 34a_100011205117_200020655725 [0,3,0,0,0,0|1,0,0]=4 26848 B13R1.555 C=CCCSCc1ccccc1Br 62a_100000184730_100000754431 [0,3,0,0,0,0|0,1,0]=4 26849 B13R1.555 C=CCCSCc1ccccc1Br 62a_100000754431_100000184730 [0,3,0,0,0,0|0,1,0]=4 26850 B13R1.555 C=CCCSCc1ccccc1C 62a_100000211839_100000754431 [0,3,0,0,0,0|0,1,0]=4 26851 B13R1.555 C=CCCSCc1ccccc1C 62a_100000754431_100000211839 [0,3,0,0,0,0|0,1,0]=4 26852 B13R1.555 C=CCCSCc1ccccc1Cl 62a_100000187162_100000754431 [0,3,0,0,0,0|0,1,0]=4 26853 B13R1.555 C=CCCSCc1ccccc1Cl 62a_100000754431_100000187162 [0,3,0,0,0,0|0,1,0]=4 26854 B13R1.555 C=CCCSCc1ccccc1F 62a_100000211605_100000754431 [0,3,0,0,0,0|0,1,0]=4 26855 B13R1.555 C=CCCSCc1ccccc1F 62a_100000754431_100000211605 [0,3,0,0,0,0|0,1,0]=4 26856 B13R1.555 C=CCCSCc1ccccc1I 62a_100000754431_100011216222 [0,3,0,0,0,0|0,1,0]=4 26857 B13R1.555 C=CCCSCc1ccccc1I 62a_100011216222_100000754431 [0,3,0,0,0,0|0,1,0]=4 26858 B13R1.555 C=CCNCCc1ccccc1Br 2230a_100000747383_100000210623 [0,3,0,0,0,0|1,0,0]=4 26859 B13R1.555 C=CCNCCc1ccccc1Br 2230a_100020586998_100012161201 [0,3,0,0,0,0|1,0,0]=4 26860 B13R1.555 C=CCNCCc1ccccc1Br 34a_100000747383_100015514636 [0,3,0,0,0,0|1,0,0]=4 26861 B13R1.555 C=CCNCCc1ccccc1C 2230a_100000685071_100000210623 [0,3,0,0,0,0|1,0,0]=4 26862 B13R1.555 C=CCNCCc1ccccc1C 2230a_100020586998_100011713688 [0,3,0,0,0,0|1,0,0]=4 26863 B13R1.555 C=CCNCCc1ccccc1C 34a_100000685071_100015514636 [0,3,0,0,0,0|1,0,0]=4 26864 B13R1.555 C=CCNCCc1ccccc1Cl 2230a_100011207228_100000210623 [0,3,0,0,0,0|1,0,0]=4 26865 B13R1.555 C=CCNCCc1ccccc1Cl 2230a_100020586998_100011713703 [0,3,0,0,0,0|1,0,0]=4 26866 B13R1.555 C=CCNCCc1ccccc1Cl 270004a_100020586998_200011713468 [0,3,0,0,0,0|1,0,0]=4 26867 B13R1.555 C=CCNCCc1ccccc1Cl 34a_100011207228_100015514636 [0,3,0,0,0,0|1,0,0]=4 26868 B13R1.555 C=CCNCCc1ccccc1F 2230a_100000185272_100000210623 [0,3,0,0,0,0|1,0,0]=4 26869 B13R1.555 C=CCNCCc1ccccc1F 2230a_100020586998_100011713696 [0,3,0,0,0,0|1,0,0]=4 26870 B13R1.555 C=CCNCCc1ccccc1F 34a_100000185272_100015514636 [0,3,0,0,0,0|1,0,0]=4 26871 B13R1.555 C=CCNCCc1ccccc1O 34a_100011207237_100015514636 [0,3,0,0,0,0|1,0,0]=4 26872 B13R1.555 C=CCOCCc1ccccc1Br 34a_100000731337_100015514636 [0,3,0,0,0,0|0,0,0]=3 26873 B13R1.555 C=CCOCCc1ccccc1Br 34a_200000210373_100012161201 [0,3,0,0,0,0|0,0,0]=3 26874 B13R1.555 C=CCOCCc1ccccc1Br 7a_100000731337_100015514636 [0,3,0,0,0,0|0,0,0]=3 26875 B13R1.555 C=CCOCCc1ccccc1C 34a_100011220023_100015514636 [0,3,0,0,0,0|0,0,0]=3 26876 B13R1.555 C=CCOCCc1ccccc1C 34a_200000210373_100011713688 [0,3,0,0,0,0|0,0,0]=3 26877 B13R1.555 C=CCOCCc1ccccc1C 7a_100011220023_100015514636 [0,3,0,0,0,0|0,0,0]=3 26878 B13R1.555 C=CCOCCc1ccccc1Cl 34a_100011215284_100015514636 [0,3,0,0,0,0|0,0,0]=3 26879 B13R1.555 C=CCOCCc1ccccc1Cl 34a_200000210373_100011713703 [0,3,0,0,0,0|0,0,0]=3 26880 B13R1.555 C=CCOCCc1ccccc1Cl 7a_100011215284_100015514636 [0,3,0,0,0,0|0,0,0]=3 26881 B13R1.555 C=CCOCCc1ccccc1F 34a_100000753711_100015514636 [0,3,0,0,0,0|0,0,0]=3 26882 B13R1.555 C=CCOCCc1ccccc1F 34a_200000210373_100000720011 [0,3,0,0,0,0|0,0,0]=3 26883 B13R1.555 C=CCOCCc1ccccc1F 7a_100000753711_100015514636 [0,3,0,0,0,0|0,0,0]=3 26884 B13R1.555 C=CCOCCc1ccccc1I 34a_100010255290_100015514636 [0,3,0,0,0,0|0,0,0]=3 26885 B13R1.555 C=CCOCCc1ccccc1I 7a_100010255290_100015514636 [0,3,0,0,0,0|0,0,0]=3 26886 B13R1.555 C=CCOCCc1ccccc1N 34a_100011215289_100015514636 [0,3,0,0,0,0|0,0,0]=3 26887 B13R1.555 C=CCOCCc1ccccc1O 34a_200000210373_100000722297 [0,3,0,0,0,0|0,0,0]=3 26888 B13R1.555 C=CCOCCc1ncccc1C 34a_100011997706_100015514636 [0,3,0,0,0,0|1,0,0]=4 26889 B13R1.555 C=CCOCCc1ncccc1C 7a_100011997706_100015514636 [0,3,0,0,0,0|1,0,0]=4 26890 B13R1.555 C=CCSCCc1ccccc1Br 62a_100000210623_100012161201 [0,3,0,0,0,0|0,1,0]=4 26891 B13R1.555 C=CCSCCc1ccccc1Br 62a_100012161201_100000210623 [0,3,0,0,0,0|0,1,0]=4 26892 B13R1.555 C=CCSCCc1ccccc1C 62a_100000210623_100011713688 [0,3,0,0,0,0|0,1,0]=4 26893 B13R1.555 C=CCSCCc1ccccc1C 62a_100011713688_100000210623 [0,3,0,0,0,0|0,1,0]=4 26894 B13R1.555 C=CCSCCc1ccccc1Cl 62a_100000210623_100011713703 [0,3,0,0,0,0|0,1,0]=4 26895 B13R1.555 C=CCSCCc1ccccc1Cl 62a_100011713703_100000210623 [0,3,0,0,0,0|0,1,0]=4 26896 B13R1.555 C=CCSCCc1ccccc1F 62a_100000210623_100011713696 [0,3,0,0,0,0|0,1,0]=4 26897 B13R1.555 C=CCSCCc1ccccc1F 62a_100011713696_100000210623 [0,3,0,0,0,0|0,1,0]=4 26898 B13R1.555 C=CCSCCc1ccccc1O 62a_100000210623_100000722297 [0,3,0,0,0,0|0,1,0]=4 26899 B13R1.555 C=CCSCCc1ccccc1O 62a_100000722297_100000210623 [0,3,0,0,0,0|0,1,0]=4 26900 B13R1.555 C=COCCNc1ccccc1Br 34a_100000210017_100000039644 [0,3,0,0,0,0|1,0,0]=4 26901 B13R1.555 C=COCCNc1ccccc1C 34a_100015192222_100000039644 [0,3,0,0,0,0|1,0,0]=4 26902 B13R1.555 C=COCCNc1ccccc1Cl 34a_100000185783_100000039644 [0,3,0,0,0,0|1,0,0]=4 26903 B13R1.555 C=COCCNc1ccccc1F 34a_100000210422_100000039644 [0,3,0,0,0,0|1,0,0]=4 26904 B13R1.555 C=COCCNc1ccccc1I 34a_100000210053_100000039644 [0,3,0,0,0,0|1,0,0]=4 26905 B13R1.555 C=COCCNc1ccccc1O 34a_100000185747_100000039644 [0,3,0,0,0,0|1,0,0]=4 26906 B13R1.555 C=COCCOc1cccc[n+]1[O-] 7a_100000211761_100000039644 [0,3,0,0,0,0|1,0,0]=4 26907 B13R1.555 C=COCCOc1ccccc1Br 34a_100000181306_100000039644 [0,3,0,0,0,0|0,0,0]=3 26908 B13R1.555 C=COCCOc1ccccc1Br 7a_100000181306_100000039644 [0,3,0,0,0,0|0,0,0]=3 26909 B13R1.555 C=COCCOc1ccccc1C 34a_100000210338_100000039644 [0,3,0,0,0,0|0,0,0]=3 26910 B13R1.555 C=COCCOc1ccccc1C 7a_100000210338_100000039644 [0,3,0,0,0,0|0,0,0]=3 26911 B13R1.555 C=COCCOc1ccccc1Cl 34a_100000210172_100000039644 [0,3,0,0,0,0|0,0,0]=3 26912 B13R1.555 C=COCCOc1ccccc1Cl 7a_100000210172_100000039644 [0,3,0,0,0,0|0,0,0]=3 26913 B13R1.555 C=COCCOc1ccccc1F 34a_100000210171_100000039644 [0,3,0,0,0,0|0,0,0]=3 26914 B13R1.555 C=COCCOc1ccccc1F 7a_100000210171_100000039644 [0,3,0,0,0,0|0,0,0]=3 26915 B13R1.555 C=COCCOc1ccccc1I 34a_100000739446_100000039644 [0,3,0,0,0,0|0,0,0]=3 26916 B13R1.555 C=COCCOc1ccccc1I 7a_100000739446_100000039644 [0,3,0,0,0,0|0,0,0]=3 26917 B13R1.555 C=COCCOc1ccccc1N 34a_100000185747_100000039644 [0,3,0,0,0,0|0,0,0]=3 26918 B13R1.555 C=COCCOc1ccccc1N 7a_100000185747_100000039644 [0,3,0,0,0,0|0,0,0]=3 26919 B13R1.555 C=COCCOc1cccnc1Br 34a_100000744436_100000039644 [0,3,0,0,0,0|1,0,0]=4 26920 B13R1.555 C=COCCOc1cccnc1Br 7a_100000744436_100000039644 [0,3,0,0,0,0|1,0,0]=4 26921 B13R1.555 C=COCCOc1cccnc1C 34a_100000745507_100000039644 [0,3,0,0,0,0|1,0,0]=4 26922 B13R1.555 C=COCCOc1cccnc1C 7a_100000745507_100000039644 [0,3,0,0,0,0|1,0,0]=4 26923 B13R1.555 C=COCCOc1cccnc1Cl 34a_100000757616_100000039644 [0,3,0,0,0,0|1,0,0]=4 26924 B13R1.555 C=COCCOc1cccnc1Cl 7a_100000757616_100000039644 [0,3,0,0,0,0|1,0,0]=4 26925 B13R1.555 C=COCCOc1cccnc1F 34a_100000061740_100000039644 [0,3,0,0,0,0|1,0,0]=4 26926 B13R1.555 C=COCCOc1cccnc1F 7a_100000061740_100000039644 [0,3,0,0,0,0|1,0,0]=4 26927 B13R1.555 C=COCCOc1cccnc1I 34a_100000034122_100000039644 [0,3,0,0,0,0|1,0,0]=4 26928 B13R1.555 C=COCCOc1cccnc1I 7a_100000034122_100000039644 [0,3,0,0,0,0|1,0,0]=4 26929 B13R1.555 C=COCCOc1cccnc1N 34a_100000211975_100000039644 [0,3,0,0,0,0|1,0,0]=4 26930 B13R1.555 C=COCCOc1cccnc1N 7a_100000211975_100000039644 [0,3,0,0,0,0|1,0,0]=4 26931 B13R1.555 C=COCCOc1cccoc1=O 34a_100000077404_100000039644 [0,3,0,0,0,0|1,0,0]=4 26932 B13R1.555 C=COCCOc1cccoc1=O 7a_100000077404_100000039644 [0,3,0,0,0,0|1,0,0]=4 26933 B13R1.555 C=COCCOc1ccncc1Br 34a_100011996408_100000039644 [0,3,0,0,0,0|1,0,0]=4 26934 B13R1.555 C=COCCOc1ccncc1C 34a_100000694293_100000039644 [0,3,0,0,0,0|1,0,0]=4 26935 B13R1.555 C=COCCOc1ccncc1Cl 34a_100011997054_100000039644 [0,3,0,0,0,0|1,0,0]=4 26936 B13R1.555 C=COCCOc1ccncc1F 34a_200000081243_100000039644 [0,3,0,0,0,0|1,0,0]=4 26937 B13R1.555 C=COCCOc1cnccc1C 34a_100011997053_100000039644 [0,3,0,0,0,0|1,0,0]=4 26938 B13R1.555 C=COCCOc1cnccc1C 7a_100011997053_100000039644 [0,3,0,0,0,0|1,0,0]=4 26939 B13R1.555 C=COCCOc1cnccc1Cl 34a_100011996695_100000039644 [0,3,0,0,0,0|1,0,0]=4 26940 B13R1.555 C=COCCOc1cnccc1I 34a_100000050107_100000039644 [0,3,0,0,0,0|1,0,0]=4 26941 B13R1.555 C=COCCOc1cnccc1N 34a_100000753702_100000039644 [0,3,0,0,0,0|1,0,0]=4 26942 B13R1.555 C=COCCOc1coccc1=O 34a_100000060831_100000039644 [0,3,0,0,0,0|1,0,0]=4 26943 B13R1.555 C=COCCOc1ncccc1Cl 34a_100011290957_100000039644 [0,3,0,0,0,0|1,0,0]=4 26944 B13R1.555 C=COCCOc1ncccc1F 34a_100011219419_100000039644 [0,3,0,0,0,0|1,0,0]=4 26945 B13R1.555 C=COCCOc1ncccc1N 34a_100000746358_100000039644 [0,3,0,0,0,0|1,0,0]=4 26946 B13R1.555 C=COCCSc1ccccc1Br 62a_100000039644_100000695589 [0,3,0,0,0,0|0,1,0]=4 26947 B13R1.555 C=COCCSc1ccccc1Br 62a_100000695589_100000039644 [0,3,0,0,0,0|0,1,0]=4 26948 B13R1.555 C=COCCSc1ccccc1C 62a_100000039644_100000210755 [0,3,0,0,0,0|0,1,0]=4 26949 B13R1.555 C=COCCSc1ccccc1C 62a_100000210755_100000039644 [0,3,0,0,0,0|0,1,0]=4 26950 B13R1.555 C=COCCSc1ccccc1Cl 62a_100000039644_100000764095 [0,3,0,0,0,0|0,1,0]=4 26951 B13R1.555 C=COCCSc1ccccc1Cl 62a_100000764095_100000039644 [0,3,0,0,0,0|0,1,0]=4 26952 B13R1.555 C=COCCSc1ccccc1F 62a_100000039644_100011215700 [0,3,0,0,0,0|0,1,0]=4 26953 B13R1.555 C=COCCSc1ccccc1F 62a_100011215700_100000039644 [0,3,0,0,0,0|0,1,0]=4 26954 B13R1.555 C=COCCSc1ccccc1N 62a_100000039644_100000210017 [0,3,0,0,0,0|0,1,0]=4 26955 B13R1.555 C=COCCSc1ccccc1N 62a_100000210017_100000039644 [0,3,0,0,0,0|0,1,0]=4 26956 B13R1.555 C=COCCSc1ccccc1O 62a_100000039644_100000739446 [0,3,0,0,0,0|0,1,0]=4 26957 B13R1.555 C=COCCSc1ccccc1O 62a_100000739446_100000039644 [0,3,0,0,0,0|0,1,0]=4 26958 B13R1.555 CC/C=C\CNc1ccccc1Br 34a_100000210017_100103147603 [0,3,0,0,0,0|1,0,0]=4 26959 B13R1.555 CC/C=C\CNc1ccccc1C 34a_100015192222_100103147603 [0,3,0,0,0,0|1,0,0]=4 26960 B13R1.555 CC/C=C\CNc1ccccc1Cl 34a_100000185783_100103147603 [0,3,0,0,0,0|1,0,0]=4 26961 B13R1.555 CC/C=C\CNc1ccccc1F 34a_100000210422_100103147603 [0,3,0,0,0,0|1,0,0]=4 26962 B13R1.555 CC/C=C\CNc1ccccc1I 34a_100000210053_100103147603 [0,3,0,0,0,0|1,0,0]=4 26963 B13R1.555 CC/C=C\CNc1ccccc1O 34a_100000185747_100103147603 [0,3,0,0,0,0|1,0,0]=4 26964 B13R1.555 CC/C=C\COc1cccc[n+]1[O-] 7a_100000211761_100103147603 [0,3,0,0,0,0|1,0,0]=4 26965 B13R1.555 CC/C=C\COc1ccccc1Br 34a_100000181306_100103147603 [0,3,0,0,0,0|0,0,0]=3 26966 B13R1.555 CC/C=C\COc1ccccc1Br 7a_100000181306_100103147603 [0,3,0,0,0,0|0,0,0]=3 26967 B13R1.555 CC/C=C\COc1ccccc1C 34a_100000210338_100103147603 [0,3,0,0,0,0|0,0,0]=3 26968 B13R1.555 CC/C=C\COc1ccccc1C 7a_100000210338_100103147603 [0,3,0,0,0,0|0,0,0]=3 26969 B13R1.555 CC/C=C\COc1ccccc1Cl 34a_100000210172_100103147603 [0,3,0,0,0,0|0,0,0]=3 26970 B13R1.555 CC/C=C\COc1ccccc1Cl 7a_100000210172_100103147603 [0,3,0,0,0,0|0,0,0]=3 26971 B13R1.555 CC/C=C\COc1ccccc1F 34a_100000210171_100103147603 [0,3,0,0,0,0|0,0,0]=3 26972 B13R1.555 CC/C=C\COc1ccccc1F 7a_100000210171_100103147603 [0,3,0,0,0,0|0,0,0]=3 26973 B13R1.555 CC/C=C\COc1ccccc1I 34a_100000739446_100103147603 [0,3,0,0,0,0|0,0,0]=3 26974 B13R1.555 CC/C=C\COc1ccccc1I 7a_100000739446_100103147603 [0,3,0,0,0,0|0,0,0]=3 26975 B13R1.555 CC/C=C\COc1ccccc1N 34a_100000185747_100103147603 [0,3,0,0,0,0|0,0,0]=3 26976 B13R1.555 CC/C=C\COc1ccccc1N 7a_100000185747_100103147603 [0,3,0,0,0,0|0,0,0]=3 26977 B13R1.555 CC/C=C\COc1cccnc1Br 34a_100000744436_100103147603 [0,3,0,0,0,0|1,0,0]=4 26978 B13R1.555 CC/C=C\COc1cccnc1Br 7a_100000744436_100103147603 [0,3,0,0,0,0|1,0,0]=4 26979 B13R1.555 CC/C=C\COc1cccnc1C 34a_100000745507_100103147603 [0,3,0,0,0,0|1,0,0]=4 26980 B13R1.555 CC/C=C\COc1cccnc1C 7a_100000745507_100103147603 [0,3,0,0,0,0|1,0,0]=4 26981 B13R1.555 CC/C=C\COc1cccnc1Cl 34a_100000757616_100103147603 [0,3,0,0,0,0|1,0,0]=4 26982 B13R1.555 CC/C=C\COc1cccnc1Cl 7a_100000757616_100103147603 [0,3,0,0,0,0|1,0,0]=4 26983 B13R1.555 CC/C=C\COc1cccnc1F 34a_100000061740_100103147603 [0,3,0,0,0,0|1,0,0]=4 26984 B13R1.555 CC/C=C\COc1cccnc1F 7a_100000061740_100103147603 [0,3,0,0,0,0|1,0,0]=4 26985 B13R1.555 CC/C=C\COc1cccnc1I 34a_100000034122_100103147603 [0,3,0,0,0,0|1,0,0]=4 26986 B13R1.555 CC/C=C\COc1cccnc1I 7a_100000034122_100103147603 [0,3,0,0,0,0|1,0,0]=4 26987 B13R1.555 CC/C=C\COc1cccnc1N 34a_100000211975_100103147603 [0,3,0,0,0,0|1,0,0]=4 26988 B13R1.555 CC/C=C\COc1cccnc1N 7a_100000211975_100103147603 [0,3,0,0,0,0|1,0,0]=4 26989 B13R1.555 CC/C=C\COc1cccoc1=O 34a_100000077404_100103147603 [0,3,0,0,0,0|1,0,0]=4 26990 B13R1.555 CC/C=C\COc1cccoc1=O 7a_100000077404_100103147603 [0,3,0,0,0,0|1,0,0]=4 26991 B13R1.555 CC/C=C\COc1ccncc1Br 34a_100011996408_100103147603 [0,3,0,0,0,0|1,0,0]=4 26992 B13R1.555 CC/C=C\COc1ccncc1C 34a_100000694293_100103147603 [0,3,0,0,0,0|1,0,0]=4 26993 B13R1.555 CC/C=C\COc1ccncc1Cl 34a_100011997054_100103147603 [0,3,0,0,0,0|1,0,0]=4 26994 B13R1.555 CC/C=C\COc1ccncc1F 34a_200000081243_100103147603 [0,3,0,0,0,0|1,0,0]=4 26995 B13R1.555 CC/C=C\COc1cnccc1C 34a_100011997053_100103147603 [0,3,0,0,0,0|1,0,0]=4 26996 B13R1.555 CC/C=C\COc1cnccc1C 7a_100011997053_100103147603 [0,3,0,0,0,0|1,0,0]=4 26997 B13R1.555 CC/C=C\COc1cnccc1Cl 34a_100011996695_100103147603 [0,3,0,0,0,0|1,0,0]=4 26998 B13R1.555 CC/C=C\COc1cnccc1I 34a_100000050107_100103147603 [0,3,0,0,0,0|1,0,0]=4 26999 B13R1.555 CC/C=C\COc1cnccc1N 34a_100000753702_100103147603 [0,3,0,0,0,0|1,0,0]=4 27000 B13R1.555 CC/C=C\COc1coccc1=O 34a_100000060831_100103147603 [0,3,0,0,0,0|1,0,0]=4 27001 B13R1.555 CC/C=C\COc1ncccc1Cl 34a_100011290957_100103147603 [0,3,0,0,0,0|1,0,0]=4 27002 B13R1.555 CC/C=C\COc1ncccc1F 34a_100011219419_100103147603 [0,3,0,0,0,0|1,0,0]=4 27003 B13R1.555 CC/C=C\COc1ncccc1N 34a_100000746358_100103147603 [0,3,0,0,0,0|1,0,0]=4 27004 B13R1.555 CC/C=C\CSc1ccccc1Br 62a_100000695589_100103147603 [0,3,0,0,0,0|0,1,0]=4 27005 B13R1.555 CC/C=C\CSc1ccccc1Br 62a_100103147603_100000695589 [0,3,0,0,0,0|0,1,0]=4 27006 B13R1.555 CC/C=C\CSc1ccccc1C 62a_100000210755_100103147603 [0,3,0,0,0,0|0,1,0]=4 27007 B13R1.555 CC/C=C\CSc1ccccc1C 62a_100103147603_100000210755 [0,3,0,0,0,0|0,1,0]=4 27008 B13R1.555 CC/C=C\CSc1ccccc1Cl 62a_100000764095_100103147603 [0,3,0,0,0,0|0,1,0]=4 27009 B13R1.555 CC/C=C\CSc1ccccc1Cl 62a_100103147603_100000764095 [0,3,0,0,0,0|0,1,0]=4 27010 B13R1.555 CC/C=C\CSc1ccccc1F 62a_100011215700_100103147603 [0,3,0,0,0,0|0,1,0]=4 27011 B13R1.555 CC/C=C\CSc1ccccc1F 62a_100103147603_100011215700 [0,3,0,0,0,0|0,1,0]=4 27012 B13R1.555 CC/C=C\CSc1ccccc1N 62a_100000210017_100103147603 [0,3,0,0,0,0|0,1,0]=4 27013 B13R1.555 CC/C=C\CSc1ccccc1N 62a_100103147603_100000210017 [0,3,0,0,0,0|0,1,0]=4 27014 B13R1.555 CC/C=C\CSc1ccccc1O 62a_100000739446_100103147603 [0,3,0,0,0,0|0,1,0]=4 27015 B13R1.555 CC/C=C\CSc1ccccc1O 62a_100103147603_100000739446 [0,3,0,0,0,0|0,1,0]=4 27016 B13R1.555 CC=CCNCc1ccccc1Br 2230a_100000689332_100000070051 [0,3,0,0,0,0|1,0,0]=4 27017 B13R1.555 CC=CCNCc1ccccc1Br 34a_100000689332_100000070051 [0,3,0,0,0,0|1,0,0]=4 27018 B13R1.555 CC=CCNCc1ccccc1C 34a_100000174972_100000070051 [0,3,0,0,0,0|1,0,0]=4 27019 B13R1.555 CC=CCNCc1ccccc1Cl 2230a_100000174879_100000070051 [0,3,0,0,0,0|1,0,0]=4 27020 B13R1.555 CC=CCNCc1ccccc1Cl 34a_100000174879_100000070051 [0,3,0,0,0,0|1,0,0]=4 27021 B13R1.555 CC=CCNCc1ccccc1F 34a_100000174869_100000070051 [0,3,0,0,0,0|1,0,0]=4 27022 B13R1.555 CC=CCNCc1ccccc1O 34a_100000185550_100000070051 [0,3,0,0,0,0|1,0,0]=4 27023 B13R1.555 CC=CCOCc1ccccc1Br 34a_100000756307_100000070051 [0,3,0,0,0,0|0,0,0]=3 27024 B13R1.555 CC=CCOCc1ccccc1Br 7a_100000756307_100000070051 [0,3,0,0,0,0|0,0,0]=3 27025 B13R1.555 CC=CCOCc1ccccc1C 34a_100000698903_100000070051 [0,3,0,0,0,0|0,0,0]=3 27026 B13R1.555 CC=CCOCc1ccccc1C 7a_100000698903_100000070051 [0,3,0,0,0,0|0,0,0]=3 27027 B13R1.555 CC=CCOCc1ccccc1Cl 34a_100000210847_100000070051 [0,3,0,0,0,0|0,0,0]=3 27028 B13R1.555 CC=CCOCc1ccccc1Cl 7a_100000210847_100000070051 [0,3,0,0,0,0|0,0,0]=3 27029 B13R1.555 CC=CCOCc1ccccc1F 34a_100000211962_100000070051 [0,3,0,0,0,0|0,0,0]=3 27030 B13R1.555 CC=CCOCc1ccccc1F 7a_100000211962_100000070051 [0,3,0,0,0,0|0,0,0]=3 27031 B13R1.555 CC=CCOCc1ccccc1I 34a_100000187465_100000070051 [0,3,0,0,0,0|0,0,0]=3 27032 B13R1.555 CC=CCOCc1ccccc1I 7a_100000187465_100000070051 [0,3,0,0,0,0|0,0,0]=3 27033 B13R1.555 CC=CCOCc1ccccc1N 34a_100000212039_100000070051 [0,3,0,0,0,0|0,0,0]=3 27034 B13R1.555 CC=CCOCc1cccnc1Br 34a_100000719692_100000070051 [0,3,0,0,0,0|1,0,0]=4 27035 B13R1.555 CC=CCOCc1cccnc1Br 7a_100000719692_100000070051 [0,3,0,0,0,0|1,0,0]=4 27036 B13R1.555 CC=CCOCc1cccnc1C 34a_100000729262_100000070051 [0,3,0,0,0,0|1,0,0]=4 27037 B13R1.555 CC=CCOCc1cccnc1C 7a_100000729262_100000070051 [0,3,0,0,0,0|1,0,0]=4 27038 B13R1.555 CC=CCOCc1cccnc1Cl 34a_100000748726_100000070051 [0,3,0,0,0,0|1,0,0]=4 27039 B13R1.555 CC=CCOCc1cccnc1Cl 7a_100000748726_100000070051 [0,3,0,0,0,0|1,0,0]=4 27040 B13R1.555 CC=CCOCc1cccnc1F 34a_100000079888_100000070051 [0,3,0,0,0,0|1,0,0]=4 27041 B13R1.555 CC=CCOCc1cccnc1F 7a_100000079888_100000070051 [0,3,0,0,0,0|1,0,0]=4 27042 B13R1.555 CC=CCOCc1ccncc1C 34a_100011997032_100000070051 [0,3,0,0,0,0|1,0,0]=4 27043 B13R1.555 CC=CCOCc1ccncc1F 34a_100012172863_100000070051 [0,3,0,0,0,0|1,0,0]=4 27044 B13R1.555 CC=CCOCc1cnccc1C 34a_100011996381_100000070051 [0,3,0,0,0,0|1,0,0]=4 27045 B13R1.555 CC=CCOCc1cnccc1Cl 34a_100000117392_100000070051 [0,3,0,0,0,0|1,0,0]=4 27046 B13R1.555 CC=CCOCc1ncccc1Br 34a_100011996772_100000070051 [0,3,0,0,0,0|1,0,0]=4 27047 B13R1.555 CC=CCOCc1ncccc1C 34a_100000698912_100000070051 [0,3,0,0,0,0|1,0,0]=4 27048 B13R1.555 CC=CCOCc1ncccc1Cl 34a_100012002383_100000070051 [0,3,0,0,0,0|1,0,0]=4 27049 B13R1.555 CC=CCOCc1ncccc1F 34a_100011934865_100000070051 [0,3,0,0,0,0|1,0,0]=4 27050 B13R1.555 CC=CCOCc1ncccc1N 34a_114873767017_100000070051 [0,3,0,0,0,0|1,0,0]=4 27051 B13R1.555 CC=CCSCc1ccccc1Br 62a_100000070051_100000184730 [0,3,0,0,0,0|0,1,0]=4 27052 B13R1.555 CC=CCSCc1ccccc1Br 62a_100000184730_100000070051 [0,3,0,0,0,0|0,1,0]=4 27053 B13R1.555 CC=CCSCc1ccccc1C 62a_100000070051_100000211839 [0,3,0,0,0,0|0,1,0]=4 27054 B13R1.555 CC=CCSCc1ccccc1C 62a_100000211839_100000070051 [0,3,0,0,0,0|0,1,0]=4 27055 B13R1.555 CC=CCSCc1ccccc1Cl 62a_100000070051_100000187162 [0,3,0,0,0,0|0,1,0]=4 27056 B13R1.555 CC=CCSCc1ccccc1Cl 62a_100000187162_100000070051 [0,3,0,0,0,0|0,1,0]=4 27057 B13R1.555 CC=CCSCc1ccccc1F 62a_100000070051_100000211605 [0,3,0,0,0,0|0,1,0]=4 27058 B13R1.555 CC=CCSCc1ccccc1F 62a_100000211605_100000070051 [0,3,0,0,0,0|0,1,0]=4 27059 B13R1.555 CC=CCSCc1ccccc1I 62a_100000070051_100011216222 [0,3,0,0,0,0|0,1,0]=4 27060 B13R1.555 CC=CCSCc1ccccc1I 62a_100011216222_100000070051 [0,3,0,0,0,0|0,1,0]=4 27061 B13R1.555 Cc1ccccc1CCOCC=O 34a_100011220023_200009817547 [0,3,0,0,0,0|1,0,0]=4 27062 B13R1.555 Cc1ccccc1CCOCC=O 7a_100011220023_200015260668 [0,3,0,0,0,0|1,0,0]=4 27063 B13R1.555 Cc1ccccc1OCCCC=O 7a_100000210338_200011292268 [0,3,0,0,0,0|0,0,1]=4 27064 B13R1.555 Nc1ccccc1CCOCC=O 34a_100011215289_200009817547 [0,3,0,0,0,0|1,0,0]=4 27065 B13R1.555 Nc1ccccc1OCCCC=O 7a_100000185747_200011292268 [0,3,0,0,0,0|0,0,1]=4 27066 B13R1.555 O=CCCCOc1ccccc1Br 7a_100000181306_200011292268 [0,3,0,0,0,0|0,0,1]=4 27067 B13R1.555 O=CCCCOc1ccccc1Cl 7a_100000210172_200011292268 [0,3,0,0,0,0|0,0,1]=4 27068 B13R1.555 O=CCCCOc1ccccc1F 7a_100000210171_200011292268 [0,3,0,0,0,0|0,0,1]=4 27069 B13R1.555 O=CCCCOc1ccccc1I 7a_100000739446_200011292268 [0,3,0,0,0,0|0,0,1]=4 27070 B13R1.555 O=CCOCCc1ccccc1Br 34a_100000731337_200009817547 [0,3,0,0,0,0|1,0,0]=4 27071 B13R1.555 O=CCOCCc1ccccc1Br 7a_100000731337_200015260668 [0,3,0,0,0,0|1,0,0]=4 27072 B13R1.555 O=CCOCCc1ccccc1Cl 34a_100011215284_200009817547 [0,3,0,0,0,0|1,0,0]=4 27073 B13R1.555 O=CCOCCc1ccccc1Cl 7a_100011215284_200015260668 [0,3,0,0,0,0|1,0,0]=4 27074 B13R1.555 O=CCOCCc1ccccc1F 34a_100000753711_200009817547 [0,3,0,0,0,0|1,0,0]=4 27075 B13R1.555 O=CCOCCc1ccccc1F 7a_100000753711_200015260668 [0,3,0,0,0,0|1,0,0]=4 27076 B13R1.555 O=CCOCCc1ccccc1I 34a_100010255290_200009817547 [0,3,0,0,0,0|1,0,0]=4 27077 B13R1.555 O=CCOCCc1ccccc1I 7a_100010255290_200015260668 [0,3,0,0,0,0|1,0,0]=4 27078 B13R1.656 C/C=C/CNc1cc(ccc1Br)Br 34a_100000737762_100102629194 [0,3,0,0,0,0|1,0,0]=4 27079 B13R1.656 C/C=C/CNc1cc(ccc1Br)C 34a_100000745044_100102629194 [0,3,0,0,0,0|1,0,0]=4 27080 B13R1.656 C/C=C/CNc1cc(ccc1Br)Cl 34a_100000687073_100102629194 [0,3,0,0,0,0|1,0,0]=4 27081 B13R1.656 C/C=C/CNc1cc(ccc1Br)F 34a_100000687223_100102629194 [0,3,0,0,0,0|1,0,0]=4 27082 B13R1.656 C/C=C/CNc1cc(ccc1Br)O 34a_100011999798_100102629194 [0,3,0,0,0,0|1,0,0]=4 27083 B13R1.656 C/C=C/CNc1cc(ccc1C)Br 34a_100000741167_100102629194 [0,3,0,0,0,0|1,0,0]=4 27084 B13R1.656 C/C=C/CNc1cc(ccc1C)Br 7a_100000741167_100102629194 [0,3,0,0,0,0|1,0,0]=4 27085 B13R1.656 C/C=C/CNc1cc(ccc1C)C 34a_100000185781_100102629194 [0,3,0,0,0,0|1,0,0]=4 27086 B13R1.656 C/C=C/CNc1cc(ccc1C)C 7a_100000185781_100102629194 [0,3,0,0,0,0|1,0,0]=4 27087 B13R1.656 C/C=C/CNc1cc(ccc1C)Cl 34a_100000211374_100102629194 [0,3,0,0,0,0|1,0,0]=4 27088 B13R1.656 C/C=C/CNc1cc(ccc1C)Cl 7a_100000211374_100102629194 [0,3,0,0,0,0|1,0,0]=4 27089 B13R1.656 C/C=C/CNc1cc(ccc1C)F 34a_100000211107_100102629194 [0,3,0,0,0,0|1,0,0]=4 27090 B13R1.656 C/C=C/CNc1cc(ccc1C)F 7a_100000211107_100102629194 [0,3,0,0,0,0|1,0,0]=4 27091 B13R1.656 C/C=C/CNc1cc(ccc1C)I 7a_100000761890_100102629194 [0,3,0,0,0,0|1,0,0]=4 27092 B13R1.656 C/C=C/CNc1cc(ccc1C)O 34a_100011216113_100102629194 [0,3,0,0,0,0|1,0,0]=4 27093 B13R1.656 C/C=C/CNc1cc(ccc1Cl)Br 34a_100000750497_100102629194 [0,3,0,0,0,0|1,0,0]=4 27094 B13R1.656 C/C=C/CNc1cc(ccc1Cl)C 34a_100011215360_100102629194 [0,3,0,0,0,0|1,0,0]=4 27095 B13R1.656 C/C=C/CNc1cc(ccc1Cl)Cl 34a_100000184485_100102629194 [0,3,0,0,0,0|1,0,0]=4 27096 B13R1.656 C/C=C/CNc1cc(ccc1Cl)F 34a_100000751338_100102629194 [0,3,0,0,0,0|1,0,0]=4 27097 B13R1.656 C/C=C/CNc1cc(ccc1Cl)I 34a_200000761891_100102629194 [0,3,0,0,0,0|1,0,0]=4 27098 B13R1.656 C/C=C/CNc1cc(ccc1Cl)O 34a_100011934297_100102629194 [0,3,0,0,0,0|1,0,0]=4 27099 B13R1.656 C/C=C/CNc1cc(ccc1F)Br 34a_100000740924_100102629194 [0,3,0,0,0,0|1,0,0]=4 27100 B13R1.656 C/C=C/CNc1cc(ccc1F)C 34a_100000211285_100102629194 [0,3,0,0,0,0|1,0,0]=4 27101 B13R1.656 C/C=C/CNc1cc(ccc1F)Cl 34a_100000212115_100102629194 [0,3,0,0,0,0|1,0,0]=4 27102 B13R1.656 C/C=C/CNc1cc(ccc1F)F 34a_100000210742_100102629194 [0,3,0,0,0,0|1,0,0]=4 27103 B13R1.656 C/C=C/CNc1cc(ccc1F)I 34a_100011464823_100102629194 [0,3,0,0,0,0|1,0,0]=4 27104 B13R1.656 C/C=C/CNc1cc(ccc1F)O 34a_100012017239_100102629194 [0,3,0,0,0,0|1,0,0]=4 27105 B13R1.656 C/C=C/CNc1cc(ccc1I)Br 34a_100000743836_100102629194 [0,3,0,0,0,0|1,0,0]=4 27106 B13R1.656 C/C=C/CNc1cc(ccc1I)C 34a_100011216686_100102629194 [0,3,0,0,0,0|1,0,0]=4 27107 B13R1.656 C/C=C/CNc1cc(ccc1I)Cl 34a_100000761886_100102629194 [0,3,0,0,0,0|1,0,0]=4 27108 B13R1.656 C/C=C/CNc1cc(ccc1I)F 34a_100011218093_100102629194 [0,3,0,0,0,0|1,0,0]=4 27109 B13R1.656 C/C=C/CNc1cc(ccc1O)Br 34a_100000752626_100102629194 [0,3,0,0,0,0|1,0,0]=4 27110 B13R1.656 C/C=C/CNc1cc(ccc1O)C 34a_100011215204_100102629194 [0,3,0,0,0,0|1,0,0]=4 27111 B13R1.656 C/C=C/CNc1cc(ccc1O)Cl 34a_100000210500_100102629194 [0,3,0,0,0,0|1,0,0]=4 27112 B13R1.656 C/C=C/CNc1cc(ccc1O)F 34a_100000759472_100102629194 [0,3,0,0,0,0|1,0,0]=4 27113 B13R1.656 C/C=C/COc1cc(=O)[nH]cc1Cl 34a_100000069390_100102629194 [0,3,0,0,0,0|1,0,0]=4 27114 B13R1.656 C/C=C/COc1cc(ccc1Br)Br 34a_100011220040_100102629194 [0,3,0,0,0,0|0,0,0]=3 27115 B13R1.656 C/C=C/COc1cc(ccc1Br)Br 7a_100011220040_100102629194 [0,3,0,0,0,0|0,0,0]=3 27116 B13R1.656 C/C=C/COc1cc(ccc1Br)C 34a_100012002257_100102629194 [0,3,0,0,0,0|0,0,0]=3 27117 B13R1.656 C/C=C/COc1cc(ccc1Br)C 7a_100012002257_100102629194 [0,3,0,0,0,0|0,0,0]=3 27118 B13R1.656 C/C=C/COc1cc(ccc1Br)Cl 34a_100012339455_100102629194 [0,3,0,0,0,0|0,0,0]=3 27119 B13R1.656 C/C=C/COc1cc(ccc1Br)Cl 7a_100012339455_100102629194 [0,3,0,0,0,0|0,0,0]=3 27120 B13R1.656 C/C=C/COc1cc(ccc1Br)F 34a_100000690578_100102629194 [0,3,0,0,0,0|0,0,0]=3 27121 B13R1.656 C/C=C/COc1cc(ccc1Br)F 7a_100000690578_100102629194 [0,3,0,0,0,0|0,0,0]=3 27122 B13R1.656 C/C=C/COc1cc(ccc1Br)I 34a_100012356990_100102629194 [0,3,0,0,0,0|0,0,0]=3 27123 B13R1.656 C/C=C/COc1cc(ccc1Br)I 7a_100012356990_100102629194 [0,3,0,0,0,0|0,0,0]=3 27124 B13R1.656 C/C=C/COc1cc(ccc1C)Br 34a_100000685420_100102629194 [0,3,0,0,0,0|0,0,0]=3 27125 B13R1.656 C/C=C/COc1cc(ccc1C)Br 7a_100000685420_100102629194 [0,3,0,0,0,0|0,0,0]=3 27126 B13R1.656 C/C=C/COc1cc(ccc1C)C 34a_100000210931_100102629194 [0,3,0,0,0,0|0,0,0]=3 27127 B13R1.656 C/C=C/COc1cc(ccc1C)C 7a_100000210931_100102629194 [0,3,0,0,0,0|0,0,0]=3 27128 B13R1.656 C/C=C/COc1cc(ccc1C)Cl 34a_100000756515_100102629194 [0,3,0,0,0,0|0,0,0]=3 27129 B13R1.656 C/C=C/COc1cc(ccc1C)Cl 7a_100000756515_100102629194 [0,3,0,0,0,0|0,0,0]=3 27130 B13R1.656 C/C=C/COc1cc(ccc1C)F 34a_100000690566_100102629194 [0,3,0,0,0,0|0,0,0]=3 27131 B13R1.656 C/C=C/COc1cc(ccc1C)F 7a_100000690566_100102629194 [0,3,0,0,0,0|0,0,0]=3 27132 B13R1.656 C/C=C/COc1cc(ccc1C)I 7a_100000766334_100102629194 [0,3,0,0,0,0|0,0,0]=3 27133 B13R1.656 C/C=C/COc1cc(ccc1C)N 34a_100000759471_100102629194 [0,3,0,0,0,0|0,0,0]=3 27134 B13R1.656 C/C=C/COc1cc(ccc1C)N 7a_100000759471_100102629194 [0,3,0,0,0,0|0,0,0]=3 27135 B13R1.656 C/C=C/COc1cc(ccc1Cl)Br 34a_100000738945_100102629194 [0,3,0,0,0,0|0,0,0]=3 27136 B13R1.656 C/C=C/COc1cc(ccc1Cl)Br 7a_100000738945_100102629194 [0,3,0,0,0,0|0,0,0]=3 27137 B13R1.656 C/C=C/COc1cc(ccc1Cl)C 34a_100000211493_100102629194 [0,3,0,0,0,0|0,0,0]=3 27138 B13R1.656 C/C=C/COc1cc(ccc1Cl)C 7a_100000211493_100102629194 [0,3,0,0,0,0|0,0,0]=3 27139 B13R1.656 C/C=C/COc1cc(ccc1Cl)Cl 34a_100000211422_100102629194 [0,3,0,0,0,0|0,0,0]=3 27140 B13R1.656 C/C=C/COc1cc(ccc1Cl)Cl 7a_100000211422_100102629194 [0,3,0,0,0,0|0,0,0]=3 27141 B13R1.656 C/C=C/COc1cc(ccc1Cl)F 34a_100000692107_100102629194 [0,3,0,0,0,0|0,0,0]=3 27142 B13R1.656 C/C=C/COc1cc(ccc1Cl)F 7a_100000692107_100102629194 [0,3,0,0,0,0|0,0,0]=3 27143 B13R1.656 C/C=C/COc1cc(ccc1Cl)I 34a_100011356854_100102629194 [0,3,0,0,0,0|0,0,0]=3 27144 B13R1.656 C/C=C/COc1cc(ccc1Cl)I 7a_100011356854_100102629194 [0,3,0,0,0,0|0,0,0]=3 27145 B13R1.656 C/C=C/COc1cc(ccc1Cl)N 34a_100011934209_100102629194 [0,3,0,0,0,0|0,0,0]=3 27146 B13R1.656 C/C=C/COc1cc(ccc1F)Br 34a_100000686035_100102629194 [0,3,0,0,0,0|0,0,0]=3 27147 B13R1.656 C/C=C/COc1cc(ccc1F)Br 7a_100000686035_100102629194 [0,3,0,0,0,0|0,0,0]=3 27148 B13R1.656 C/C=C/COc1cc(ccc1F)C 34a_100000759540_100102629194 [0,3,0,0,0,0|0,0,0]=3 27149 B13R1.656 C/C=C/COc1cc(ccc1F)C 7a_100000759540_100102629194 [0,3,0,0,0,0|0,0,0]=3 27150 B13R1.656 C/C=C/COc1cc(ccc1F)Cl 34a_100000757397_100102629194 [0,3,0,0,0,0|0,0,0]=3 27151 B13R1.656 C/C=C/COc1cc(ccc1F)Cl 7a_100000757397_100102629194 [0,3,0,0,0,0|0,0,0]=3 27152 B13R1.656 C/C=C/COc1cc(ccc1F)F 34a_100000752141_100102629194 [0,3,0,0,0,0|0,0,0]=3 27153 B13R1.656 C/C=C/COc1cc(ccc1F)F 7a_100000752141_100102629194 [0,3,0,0,0,0|0,0,0]=3 27154 B13R1.656 C/C=C/COc1cc(ccc1F)I 34a_100009958187_100102629194 [0,3,0,0,0,0|0,0,0]=3 27155 B13R1.656 C/C=C/COc1cc(ccc1F)I 7a_100009958187_100102629194 [0,3,0,0,0,0|0,0,0]=3 27156 B13R1.656 C/C=C/COc1cc(ccc1F)N 34a_100012017398_100102629194 [0,3,0,0,0,0|0,0,0]=3 27157 B13R1.656 C/C=C/COc1cc(ccc1F)N 7a_100012017398_100102629194 [0,3,0,0,0,0|0,0,0]=3 27158 B13R1.656 C/C=C/COc1cc(ccc1I)Br 34a_100012344904_100102629194 [0,3,0,0,0,0|0,0,0]=3 27159 B13R1.656 C/C=C/COc1cc(ccc1I)Br 7a_100012344904_100102629194 [0,3,0,0,0,0|0,0,0]=3 27160 B13R1.656 C/C=C/COc1cc(ccc1I)Cl 34a_100000050036_100102629194 [0,3,0,0,0,0|0,0,0]=3 27161 B13R1.656 C/C=C/COc1cc(ccc1I)Cl 7a_100000050036_100102629194 [0,3,0,0,0,0|0,0,0]=3 27162 B13R1.656 C/C=C/COc1cc(ccc1I)F 34a_100010084537_100102629194 [0,3,0,0,0,0|0,0,0]=3 27163 B13R1.656 C/C=C/COc1cc(ccc1I)F 7a_100010084537_100102629194 [0,3,0,0,0,0|0,0,0]=3 27164 B13R1.656 C/C=C/COc1cc(ccc1N)Br 34a_100000739049_100102629194 [0,3,0,0,0,0|0,0,0]=3 27165 B13R1.656 C/C=C/COc1cc(ccc1N)Br 7a_100000739049_100102629194 [0,3,0,0,0,0|0,0,0]=3 27166 B13R1.656 C/C=C/COc1cc(ccc1N)C 34a_100000211527_100102629194 [0,3,0,0,0,0|0,0,0]=3 27167 B13R1.656 C/C=C/COc1cc(ccc1N)C 7a_100000211527_100102629194 [0,3,0,0,0,0|0,0,0]=3 27168 B13R1.656 C/C=C/COc1cc(ccc1N)Cl 34a_100000185728_100102629194 [0,3,0,0,0,0|0,0,0]=3 27169 B13R1.656 C/C=C/COc1cc(ccc1N)Cl 7a_100000185728_100102629194 [0,3,0,0,0,0|0,0,0]=3 27170 B13R1.656 C/C=C/COc1cc(ccc1N)F 34a_100000753323_100102629194 [0,3,0,0,0,0|0,0,0]=3 27171 B13R1.656 C/C=C/COc1cc(ccc1N)F 7a_100000753323_100102629194 [0,3,0,0,0,0|0,0,0]=3 27172 B13R1.656 C/C=C/COc1cc(ccc1N)I 34a_100000057187_100102629194 [0,3,0,0,0,0|0,0,0]=3 27173 B13R1.656 C/C=C/COc1cc(ccc1N)I 7a_100000057187_100102629194 [0,3,0,0,0,0|0,0,0]=3 27174 B13R1.656 C/C=C/COc1cc(ccc1N)N 34a_100025717382_100102629194 [0,3,0,0,0,0|0,0,0]=3 27175 B13R1.656 C/C=C/COc1cc(cnc1Br)Cl 34a_100000697010_100102629194 [0,3,0,0,0,0|1,0,0]=4 27176 B13R1.656 C/C=C/COc1cc(cnc1Br)Cl 7a_100000697010_100102629194 [0,3,0,0,0,0|1,0,0]=4 27177 B13R1.656 C/C=C/COc1cc(cnc1Br)F 34a_100009820119_100102629194 [0,3,0,0,0,0|1,0,0]=4 27178 B13R1.656 C/C=C/COc1cc(cnc1Br)F 7a_100009820119_100102629194 [0,3,0,0,0,0|1,0,0]=4 27179 B13R1.656 C/C=C/COc1cc(cnc1C)Br 34a_100009864810_100102629194 [0,3,0,0,0,0|1,0,0]=4 27180 B13R1.656 C/C=C/COc1cc(cnc1C)Br 7a_100009864810_100102629194 [0,3,0,0,0,0|1,0,0]=4 27181 B13R1.656 C/C=C/COc1cc(cnc1Cl)Br 34a_100012354860_100102629194 [0,3,0,0,0,0|1,0,0]=4 27182 B13R1.656 C/C=C/COc1cc(cnc1Cl)Br 7a_100012354860_100102629194 [0,3,0,0,0,0|1,0,0]=4 27183 B13R1.656 C/C=C/COc1cc(cnc1Cl)C 34a_100012000487_100102629194 [0,3,0,0,0,0|1,0,0]=4 27184 B13R1.656 C/C=C/COc1cc(cnc1Cl)C 7a_100012000487_100102629194 [0,3,0,0,0,0|1,0,0]=4 27185 B13R1.656 C/C=C/COc1cc(cnc1Cl)F 34a_100000079967_100102629194 [0,3,0,0,0,0|1,0,0]=4 27186 B13R1.656 C/C=C/COc1cc(cnc1Cl)F 7a_100000079967_100102629194 [0,3,0,0,0,0|1,0,0]=4 27187 B13R1.656 C/C=C/COc1cc(cnc1F)Br 34a_100009819871_100102629194 [0,3,0,0,0,0|1,0,0]=4 27188 B13R1.656 C/C=C/COc1cc(cnc1F)Br 7a_100009819871_100102629194 [0,3,0,0,0,0|1,0,0]=4 27189 B13R1.656 C/C=C/COc1cc(cnc1F)C 34a_100009849810_100102629194 [0,3,0,0,0,0|1,0,0]=4 27190 B13R1.656 C/C=C/COc1cc(cnc1F)C 7a_100009849810_100102629194 [0,3,0,0,0,0|1,0,0]=4 27191 B13R1.656 C/C=C/COc1cc(cnc1F)Cl 34a_100000094372_100102629194 [0,3,0,0,0,0|1,0,0]=4 27192 B13R1.656 C/C=C/COc1cc(cnc1F)Cl 7a_100000094372_100102629194 [0,3,0,0,0,0|1,0,0]=4 27193 B13R1.656 C/C=C/COc1cc(cnc1I)Br 34a_100010210634_100102629194 [0,3,0,0,0,0|1,0,0]=4 27194 B13R1.656 C/C=C/COc1cc(cnc1I)Br 7a_100010210634_100102629194 [0,3,0,0,0,0|1,0,0]=4 27195 B13R1.656 C/C=C/COc1cc(cnc1I)Cl 34a_100010233512_100102629194 [0,3,0,0,0,0|1,0,0]=4 27196 B13R1.656 C/C=C/COc1cc(cnc1I)Cl 7a_100010233512_100102629194 [0,3,0,0,0,0|1,0,0]=4 27197 B13R1.656 C/C=C/COc1cc(cnc1I)F 34a_100015624800_100102629194 [0,3,0,0,0,0|1,0,0]=4 27198 B13R1.656 C/C=C/COc1cc(cnc1I)F 7a_100015624800_100102629194 [0,3,0,0,0,0|1,0,0]=4 27199 B13R1.656 C/C=C/COc1cc(cnc1N)Br 34a_100009819042_100102629194 [0,3,0,0,0,0|1,0,0]=4 27200 B13R1.656 C/C=C/COc1cc(cnc1N)Br 7a_100009819042_100102629194 [0,3,0,0,0,0|1,0,0]=4 27201 B13R1.656 C/C=C/COc1cc(cnc1N)Cl 34a_100000123674_100102629194 [0,3,0,0,0,0|1,0,0]=4 27202 B13R1.656 C/C=C/COc1cc(cnc1N)Cl 7a_100000123674_100102629194 [0,3,0,0,0,0|1,0,0]=4 27203 B13R1.656 C/C=C/COc1cc(cnc1N)F 34a_100000094369_100102629194 [0,3,0,0,0,0|1,0,0]=4 27204 B13R1.656 C/C=C/COc1cc(cnc1N)F 7a_100000094369_100102629194 [0,3,0,0,0,0|1,0,0]=4 27205 B13R1.656 C/C=C/COc1cc(ncc1Br)Br 34a_100010235016_100102629194 [0,3,0,0,0,0|1,0,0]=4 27206 B13R1.656 C/C=C/COc1cc(ncc1Br)C 34a_100011016184_100102629194 [0,3,0,0,0,0|1,0,0]=4 27207 B13R1.656 C/C=C/COc1cc(ncc1Br)Cl 34a_100010173860_100102629194 [0,3,0,0,0,0|1,0,0]=4 27208 B13R1.656 C/C=C/COc1cc(ncc1C)Br 34a_100000704368_100102629194 [0,3,0,0,0,0|1,0,0]=4 27209 B13R1.656 C/C=C/COc1cc(ncc1C)Br 7a_100000704368_100102629194 [0,3,0,0,0,0|1,0,0]=4 27210 B13R1.656 C/C=C/COc1cc(ncc1Cl)Br 34a_100010173861_100102629194 [0,3,0,0,0,0|1,0,0]=4 27211 B13R1.656 C/C=C/COc1cc(ncc1F)Br 34a_100009854642_100102629194 [0,3,0,0,0,0|1,0,0]=4 27212 B13R1.656 C/C=C/COc1cc(ncc1F)Cl 34a_100009851168_100102629194 [0,3,0,0,0,0|1,0,0]=4 27213 B13R1.656 C/C=C/COc1nc(ccc1Br)C 34a_100009817604_100102629194 [0,3,0,0,0,0|1,0,0]=4 27214 B13R1.656 C/C=C/COc1nc(ccc1F)Cl 34a_100010729010_100102629194 [0,3,0,0,0,0|1,0,0]=4 27215 B13R1.656 C/C=C/COc1nc(ccc1N)C 34a_100000687486_100102629194 [0,3,0,0,0,0|1,0,0]=4 27216 B13R1.656 C/C=C/CSc1cc(ccc1Br)Br 62a_100011483371_100102629194 [0,3,0,0,0,0|0,1,0]=4 27217 B13R1.656 C/C=C/CSc1cc(ccc1Br)Br 62a_100102629194_100011483371 [0,3,0,0,0,0|0,1,0]=4 27218 B13R1.656 C/C=C/CSc1cc(ccc1Br)C 62a_100012353751_100102629194 [0,3,0,0,0,0|0,1,0]=4 27219 B13R1.656 C/C=C/CSc1cc(ccc1Br)C 62a_100102629194_100012353751 [0,3,0,0,0,0|0,1,0]=4 27220 B13R1.656 C/C=C/CSc1cc(ccc1Br)Cl 62a_100012339723_100102629194 [0,3,0,0,0,0|0,1,0]=4 27221 B13R1.656 C/C=C/CSc1cc(ccc1Br)Cl 62a_100102629194_100012339723 [0,3,0,0,0,0|0,1,0]=4 27222 B13R1.656 C/C=C/CSc1cc(ccc1Br)F 62a_100011217576_100102629194 [0,3,0,0,0,0|0,1,0]=4 27223 B13R1.656 C/C=C/CSc1cc(ccc1Br)F 62a_100102629194_100011217576 [0,3,0,0,0,0|0,1,0]=4 27224 B13R1.656 C/C=C/CSc1cc(ccc1Br)N 62a_100000750459_100102629194 [0,3,0,0,0,0|0,1,0]=4 27225 B13R1.656 C/C=C/CSc1cc(ccc1Br)N 62a_100102629194_100000750459 [0,3,0,0,0,0|0,1,0]=4 27226 B13R1.656 C/C=C/CSc1cc(ccc1Br)O 62a_100012339312_100102629194 [0,3,0,0,0,0|0,1,0]=4 27227 B13R1.656 C/C=C/CSc1cc(ccc1Br)O 62a_100102629194_100012339312 [0,3,0,0,0,0|0,1,0]=4 27228 B13R1.656 C/C=C/CSc1cc(ccc1C)Br 62a_100011344865_100102629194 [0,3,0,0,0,0|0,1,0]=4 27229 B13R1.656 C/C=C/CSc1cc(ccc1C)Br 62a_100102629194_100011344865 [0,3,0,0,0,0|0,1,0]=4 27230 B13R1.656 C/C=C/CSc1cc(ccc1C)C 62a_100000210833_100102629194 [0,3,0,0,0,0|0,1,0]=4 27231 B13R1.656 C/C=C/CSc1cc(ccc1C)C 62a_100102629194_100000210833 [0,3,0,0,0,0|0,1,0]=4 27232 B13R1.656 C/C=C/CSc1cc(ccc1C)Cl 62a_100011263213_100102629194 [0,3,0,0,0,0|0,1,0]=4 27233 B13R1.656 C/C=C/CSc1cc(ccc1C)Cl 62a_100102629194_100011263213 [0,3,0,0,0,0|0,1,0]=4 27234 B13R1.656 C/C=C/CSc1cc(ccc1C)F 62a_100011218078_100102629194 [0,3,0,0,0,0|0,1,0]=4 27235 B13R1.656 C/C=C/CSc1cc(ccc1C)F 62a_100102629194_100011218078 [0,3,0,0,0,0|0,1,0]=4 27236 B13R1.656 C/C=C/CSc1cc(ccc1C)N 62a_100000736455_100102629194 [0,3,0,0,0,0|0,1,0]=4 27237 B13R1.656 C/C=C/CSc1cc(ccc1C)N 62a_100102629194_100000736455 [0,3,0,0,0,0|0,1,0]=4 27238 B13R1.656 C/C=C/CSc1cc(ccc1C)O 62a_100011380479_100102629194 [0,3,0,0,0,0|0,1,0]=4 27239 B13R1.656 C/C=C/CSc1cc(ccc1C)O 62a_100102629194_100011380479 [0,3,0,0,0,0|0,1,0]=4 27240 B13R1.656 C/C=C/CSc1cc(ccc1Cl)Br 62a_100011772130_100102629194 [0,3,0,0,0,0|0,1,0]=4 27241 B13R1.656 C/C=C/CSc1cc(ccc1Cl)Br 62a_100102629194_100011772130 [0,3,0,0,0,0|0,1,0]=4 27242 B13R1.656 C/C=C/CSc1cc(ccc1Cl)C 62a_100012356289_100102629194 [0,3,0,0,0,0|0,1,0]=4 27243 B13R1.656 C/C=C/CSc1cc(ccc1Cl)C 62a_100102629194_100012356289 [0,3,0,0,0,0|0,1,0]=4 27244 B13R1.656 C/C=C/CSc1cc(ccc1Cl)Cl 62a_100000707729_100102629194 [0,3,0,0,0,0|0,1,0]=4 27245 B13R1.656 C/C=C/CSc1cc(ccc1Cl)Cl 62a_100102629194_100000707729 [0,3,0,0,0,0|0,1,0]=4 27246 B13R1.656 C/C=C/CSc1cc(ccc1Cl)F 62a_100011217299_100102629194 [0,3,0,0,0,0|0,1,0]=4 27247 B13R1.656 C/C=C/CSc1cc(ccc1Cl)F 62a_100102629194_100011217299 [0,3,0,0,0,0|0,1,0]=4 27248 B13R1.656 C/C=C/CSc1cc(ccc1Cl)N 62a_100012360549_100102629194 [0,3,0,0,0,0|0,1,0]=4 27249 B13R1.656 C/C=C/CSc1cc(ccc1Cl)N 62a_100102629194_100012360549 [0,3,0,0,0,0|0,1,0]=4 27250 B13R1.656 C/C=C/CSc1cc(ccc1Cl)O 62a_100000049588_100102629194 [0,3,0,0,0,0|0,1,0]=4 27251 B13R1.656 C/C=C/CSc1cc(ccc1Cl)O 62a_100102629194_100000049588 [0,3,0,0,0,0|0,1,0]=4 27252 B13R1.656 C/C=C/CSc1cc(ccc1F)Br 62a_100011217312_100102629194 [0,3,0,0,0,0|0,1,0]=4 27253 B13R1.656 C/C=C/CSc1cc(ccc1F)Br 62a_100102629194_100011217312 [0,3,0,0,0,0|0,1,0]=4 27254 B13R1.656 C/C=C/CSc1cc(ccc1F)C 62a_100000736223_100102629194 [0,3,0,0,0,0|0,1,0]=4 27255 B13R1.656 C/C=C/CSc1cc(ccc1F)C 62a_100102629194_100000736223 [0,3,0,0,0,0|0,1,0]=4 27256 B13R1.656 C/C=C/CSc1cc(ccc1F)Cl 62a_100011218116_100102629194 [0,3,0,0,0,0|0,1,0]=4 27257 B13R1.656 C/C=C/CSc1cc(ccc1F)Cl 62a_100102629194_100011218116 [0,3,0,0,0,0|0,1,0]=4 27258 B13R1.656 C/C=C/CSc1cc(ccc1F)F 62a_100011219198_100102629194 [0,3,0,0,0,0|0,1,0]=4 27259 B13R1.656 C/C=C/CSc1cc(ccc1F)F 62a_100102629194_100011219198 [0,3,0,0,0,0|0,1,0]=4 27260 B13R1.656 C/C=C/CSc1cc(ccc1F)N 62a_100000760356_100102629194 [0,3,0,0,0,0|0,1,0]=4 27261 B13R1.656 C/C=C/CSc1cc(ccc1F)N 62a_100102629194_100000760356 [0,3,0,0,0,0|0,1,0]=4 27262 B13R1.656 C/C=C/CSc1cc(ccc1F)O 62a_100000693481_100102629194 [0,3,0,0,0,0|0,1,0]=4 27263 B13R1.656 C/C=C/CSc1cc(ccc1F)O 62a_100102629194_100000693481 [0,3,0,0,0,0|0,1,0]=4 27264 B13R1.656 C/C=C/CSc1cc(ccc1N)Br 62a_100000187925_100102629194 [0,3,0,0,0,0|0,1,0]=4 27265 B13R1.656 C/C=C/CSc1cc(ccc1N)Br 62a_100102629194_100000187925 [0,3,0,0,0,0|0,1,0]=4 27266 B13R1.656 C/C=C/CSc1cc(ccc1N)C 62a_100011356834_100102629194 [0,3,0,0,0,0|0,1,0]=4 27267 B13R1.656 C/C=C/CSc1cc(ccc1N)C 62a_100102629194_100011356834 [0,3,0,0,0,0|0,1,0]=4 27268 B13R1.656 C/C=C/CSc1cc(ccc1N)Cl 62a_100000761889_100102629194 [0,3,0,0,0,0|0,1,0]=4 27269 B13R1.656 C/C=C/CSc1cc(ccc1N)Cl 62a_100102629194_100000761889 [0,3,0,0,0,0|0,1,0]=4 27270 B13R1.656 C/C=C/CSc1cc(ccc1N)F 62a_100000760547_100102629194 [0,3,0,0,0,0|0,1,0]=4 27271 B13R1.656 C/C=C/CSc1cc(ccc1N)F 62a_100102629194_100000760547 [0,3,0,0,0,0|0,1,0]=4 27272 B13R1.656 C/C=C/CSc1cc(ccc1N)N 62a_100011534242_100102629194 [0,3,0,0,0,0|0,1,0]=4 27273 B13R1.656 C/C=C/CSc1cc(ccc1N)N 62a_100102629194_100011534242 [0,3,0,0,0,0|0,1,0]=4 27274 B13R1.656 C/C=C/CSc1cc(ccc1N)O 62a_100012001276_100102629194 [0,3,0,0,0,0|0,1,0]=4 27275 B13R1.656 C/C=C/CSc1cc(ccc1N)O 62a_100102629194_100012001276 [0,3,0,0,0,0|0,1,0]=4 27276 B13R1.656 C/C=C/CSc1cc(ccc1O)Br 62a_100012355227_100102629194 [0,3,0,0,0,0|0,1,0]=4 27277 B13R1.656 C/C=C/CSc1cc(ccc1O)Br 62a_100102629194_100012355227 [0,3,0,0,0,0|0,1,0]=4 27278 B13R1.656 C/C=C/CSc1cc(ccc1O)C 62a_100000765521_100102629194 [0,3,0,0,0,0|0,1,0]=4 27279 B13R1.656 C/C=C/CSc1cc(ccc1O)C 62a_100102629194_100000765521 [0,3,0,0,0,0|0,1,0]=4 27280 B13R1.656 C/C=C/CSc1cc(ccc1O)Cl 62a_100011356953_100102629194 [0,3,0,0,0,0|0,1,0]=4 27281 B13R1.656 C/C=C/CSc1cc(ccc1O)Cl 62a_100102629194_100011356953 [0,3,0,0,0,0|0,1,0]=4 27282 B13R1.656 C/C=C/CSc1cc(ccc1O)F 62a_100000211999_100102629194 [0,3,0,0,0,0|0,1,0]=4 27283 B13R1.656 C/C=C/CSc1cc(ccc1O)F 62a_100102629194_100000211999 [0,3,0,0,0,0|0,1,0]=4 27284 B13R1.656 C/C=C/CSc1cc(ccc1O)N 62a_100011534360_100102629194 [0,3,0,0,0,0|0,1,0]=4 27285 B13R1.656 C/C=C/CSc1cc(ccc1O)N 62a_100102629194_100011534360 [0,3,0,0,0,0|0,1,0]=4 27286 B13R1.656 C/C=C/CSc1cc(ccc1O)O 62a_100102629194_100009813629 [0,3,0,0,0,0|0,1,0]=4 27287 B13R1.656 C=CCCNc1cc(ccc1Br)Br 34a_100000737762_100000754431 [0,3,0,0,0,0|1,0,0]=4 27288 B13R1.656 C=CCCNc1cc(ccc1Br)C 34a_100000745044_100000754431 [0,3,0,0,0,0|1,0,0]=4 27289 B13R1.656 C=CCCNc1cc(ccc1Br)Cl 34a_100000687073_100000754431 [0,3,0,0,0,0|1,0,0]=4 27290 B13R1.656 C=CCCNc1cc(ccc1Br)F 34a_100000687223_100000754431 [0,3,0,0,0,0|1,0,0]=4 27291 B13R1.656 C=CCCNc1cc(ccc1Br)O 34a_100011999798_100000754431 [0,3,0,0,0,0|1,0,0]=4 27292 B13R1.656 C=CCCNc1cc(ccc1C)Br 34a_100000741167_100000754431 [0,3,0,0,0,0|1,0,0]=4 27293 B13R1.656 C=CCCNc1cc(ccc1C)Br 7a_100000741167_100000754431 [0,3,0,0,0,0|1,0,0]=4 27294 B13R1.656 C=CCCNc1cc(ccc1C)C 2230a_100000185781_100000754431 [0,3,0,0,0,0|1,0,0]=4 27295 B13R1.656 C=CCCNc1cc(ccc1C)C 34a_100000185781_100000754431 [0,3,0,0,0,0|1,0,0]=4 27296 B13R1.656 C=CCCNc1cc(ccc1C)C 7a_100000185781_100000754431 [0,3,0,0,0,0|1,0,0]=4 27297 B13R1.656 C=CCCNc1cc(ccc1C)Cl 34a_100000211374_100000754431 [0,3,0,0,0,0|1,0,0]=4 27298 B13R1.656 C=CCCNc1cc(ccc1C)Cl 7a_100000211374_100000754431 [0,3,0,0,0,0|1,0,0]=4 27299 B13R1.656 C=CCCNc1cc(ccc1C)F 34a_100000211107_100000754431 [0,3,0,0,0,0|1,0,0]=4 27300 B13R1.656 C=CCCNc1cc(ccc1C)F 7a_100000211107_100000754431 [0,3,0,0,0,0|1,0,0]=4 27301 B13R1.656 C=CCCNc1cc(ccc1C)I 7a_100000761890_100000754431 [0,3,0,0,0,0|1,0,0]=4 27302 B13R1.656 C=CCCNc1cc(ccc1C)O 34a_100011216113_100000754431 [0,3,0,0,0,0|1,0,0]=4 27303 B13R1.656 C=CCCNc1cc(ccc1Cl)Br 34a_100000750497_100000754431 [0,3,0,0,0,0|1,0,0]=4 27304 B13R1.656 C=CCCNc1cc(ccc1Cl)C 34a_100011215360_100000754431 [0,3,0,0,0,0|1,0,0]=4 27305 B13R1.656 C=CCCNc1cc(ccc1Cl)Cl 34a_100000184485_100000754431 [0,3,0,0,0,0|1,0,0]=4 27306 B13R1.656 C=CCCNc1cc(ccc1Cl)F 34a_100000751338_100000754431 [0,3,0,0,0,0|1,0,0]=4 27307 B13R1.656 C=CCCNc1cc(ccc1Cl)I 34a_200000761891_100000754431 [0,3,0,0,0,0|1,0,0]=4 27308 B13R1.656 C=CCCNc1cc(ccc1Cl)O 34a_100011934297_100000754431 [0,3,0,0,0,0|1,0,0]=4 27309 B13R1.656 C=CCCNc1cc(ccc1F)Br 34a_100000740924_100000754431 [0,3,0,0,0,0|1,0,0]=4 27310 B13R1.656 C=CCCNc1cc(ccc1F)C 34a_100000211285_100000754431 [0,3,0,0,0,0|1,0,0]=4 27311 B13R1.656 C=CCCNc1cc(ccc1F)Cl 34a_100000212115_100000754431 [0,3,0,0,0,0|1,0,0]=4 27312 B13R1.656 C=CCCNc1cc(ccc1F)F 34a_100000210742_100000754431 [0,3,0,0,0,0|1,0,0]=4 27313 B13R1.656 C=CCCNc1cc(ccc1F)I 34a_100011464823_100000754431 [0,3,0,0,0,0|1,0,0]=4 27314 B13R1.656 C=CCCNc1cc(ccc1F)O 34a_100012017239_100000754431 [0,3,0,0,0,0|1,0,0]=4 27315 B13R1.656 C=CCCNc1cc(ccc1I)Br 34a_100000743836_100000754431 [0,3,0,0,0,0|1,0,0]=4 27316 B13R1.656 C=CCCNc1cc(ccc1I)C 34a_100011216686_100000754431 [0,3,0,0,0,0|1,0,0]=4 27317 B13R1.656 C=CCCNc1cc(ccc1I)Cl 34a_100000761886_100000754431 [0,3,0,0,0,0|1,0,0]=4 27318 B13R1.656 C=CCCNc1cc(ccc1I)F 34a_100011218093_100000754431 [0,3,0,0,0,0|1,0,0]=4 27319 B13R1.656 C=CCCNc1cc(ccc1O)Br 34a_100000752626_100000754431 [0,3,0,0,0,0|1,0,0]=4 27320 B13R1.656 C=CCCNc1cc(ccc1O)C 34a_100011215204_100000754431 [0,3,0,0,0,0|1,0,0]=4 27321 B13R1.656 C=CCCNc1cc(ccc1O)Cl 34a_100000210500_100000754431 [0,3,0,0,0,0|1,0,0]=4 27322 B13R1.656 C=CCCNc1cc(ccc1O)F 34a_100000759472_100000754431 [0,3,0,0,0,0|1,0,0]=4 27323 B13R1.656 C=CCCOc1cc(=O)[nH]cc1Cl 34a_100000069390_100000754431 [0,3,0,0,0,0|1,0,0]=4 27324 B13R1.656 C=CCCOc1cc(ccc1Br)Br 34a_100011220040_100000754431 [0,3,0,0,0,0|0,0,0]=3 27325 B13R1.656 C=CCCOc1cc(ccc1Br)Br 7a_100011220040_100000754431 [0,3,0,0,0,0|0,0,0]=3 27326 B13R1.656 C=CCCOc1cc(ccc1Br)C 34a_100012002257_100000754431 [0,3,0,0,0,0|0,0,0]=3 27327 B13R1.656 C=CCCOc1cc(ccc1Br)C 7a_100012002257_100000754431 [0,3,0,0,0,0|0,0,0]=3 27328 B13R1.656 C=CCCOc1cc(ccc1Br)Cl 34a_100012339455_100000754431 [0,3,0,0,0,0|0,0,0]=3 27329 B13R1.656 C=CCCOc1cc(ccc1Br)Cl 7a_100012339455_100000754431 [0,3,0,0,0,0|0,0,0]=3 27330 B13R1.656 C=CCCOc1cc(ccc1Br)F 34a_100000690578_100000754431 [0,3,0,0,0,0|0,0,0]=3 27331 B13R1.656 C=CCCOc1cc(ccc1Br)F 7a_100000690578_100000754431 [0,3,0,0,0,0|0,0,0]=3 27332 B13R1.656 C=CCCOc1cc(ccc1Br)I 34a_100012356990_100000754431 [0,3,0,0,0,0|0,0,0]=3 27333 B13R1.656 C=CCCOc1cc(ccc1Br)I 7a_100012356990_100000754431 [0,3,0,0,0,0|0,0,0]=3 27334 B13R1.656 C=CCCOc1cc(ccc1C)Br 34a_100000685420_100000754431 [0,3,0,0,0,0|0,0,0]=3 27335 B13R1.656 C=CCCOc1cc(ccc1C)Br 7a_100000685420_100000754431 [0,3,0,0,0,0|0,0,0]=3 27336 B13R1.656 C=CCCOc1cc(ccc1C)C 34a_100000210931_100000754431 [0,3,0,0,0,0|0,0,0]=3 27337 B13R1.656 C=CCCOc1cc(ccc1C)C 7a_100000210931_100000754431 [0,3,0,0,0,0|0,0,0]=3 27338 B13R1.656 C=CCCOc1cc(ccc1C)Cl 34a_100000756515_100000754431 [0,3,0,0,0,0|0,0,0]=3 27339 B13R1.656 C=CCCOc1cc(ccc1C)Cl 7a_100000756515_100000754431 [0,3,0,0,0,0|0,0,0]=3 27340 B13R1.656 C=CCCOc1cc(ccc1C)F 34a_100000690566_100000754431 [0,3,0,0,0,0|0,0,0]=3 27341 B13R1.656 C=CCCOc1cc(ccc1C)F 7a_100000690566_100000754431 [0,3,0,0,0,0|0,0,0]=3 27342 B13R1.656 C=CCCOc1cc(ccc1C)I 7a_100000766334_100000754431 [0,3,0,0,0,0|0,0,0]=3 27343 B13R1.656 C=CCCOc1cc(ccc1C)N 34a_100000759471_100000754431 [0,3,0,0,0,0|0,0,0]=3 27344 B13R1.656 C=CCCOc1cc(ccc1C)N 7a_100000759471_100000754431 [0,3,0,0,0,0|0,0,0]=3 27345 B13R1.656 C=CCCOc1cc(ccc1Cl)Br 34a_100000738945_100000754431 [0,3,0,0,0,0|0,0,0]=3 27346 B13R1.656 C=CCCOc1cc(ccc1Cl)Br 7a_100000738945_100000754431 [0,3,0,0,0,0|0,0,0]=3 27347 B13R1.656 C=CCCOc1cc(ccc1Cl)C 34a_100000211493_100000754431 [0,3,0,0,0,0|0,0,0]=3 27348 B13R1.656 C=CCCOc1cc(ccc1Cl)C 7a_100000211493_100000754431 [0,3,0,0,0,0|0,0,0]=3 27349 B13R1.656 C=CCCOc1cc(ccc1Cl)Cl 34a_100000211422_100000754431 [0,3,0,0,0,0|0,0,0]=3 27350 B13R1.656 C=CCCOc1cc(ccc1Cl)Cl 7a_100000211422_100000754431 [0,3,0,0,0,0|0,0,0]=3 27351 B13R1.656 C=CCCOc1cc(ccc1Cl)F 34a_100000692107_100000754431 [0,3,0,0,0,0|0,0,0]=3 27352 B13R1.656 C=CCCOc1cc(ccc1Cl)F 7a_100000692107_100000754431 [0,3,0,0,0,0|0,0,0]=3 27353 B13R1.656 C=CCCOc1cc(ccc1Cl)I 34a_100011356854_100000754431 [0,3,0,0,0,0|0,0,0]=3 27354 B13R1.656 C=CCCOc1cc(ccc1Cl)I 7a_100011356854_100000754431 [0,3,0,0,0,0|0,0,0]=3 27355 B13R1.656 C=CCCOc1cc(ccc1Cl)N 34a_100011934209_100000754431 [0,3,0,0,0,0|0,0,0]=3 27356 B13R1.656 C=CCCOc1cc(ccc1F)Br 34a_100000686035_100000754431 [0,3,0,0,0,0|0,0,0]=3 27357 B13R1.656 C=CCCOc1cc(ccc1F)Br 7a_100000686035_100000754431 [0,3,0,0,0,0|0,0,0]=3 27358 B13R1.656 C=CCCOc1cc(ccc1F)C 34a_100000759540_100000754431 [0,3,0,0,0,0|0,0,0]=3 27359 B13R1.656 C=CCCOc1cc(ccc1F)C 7a_100000759540_100000754431 [0,3,0,0,0,0|0,0,0]=3 27360 B13R1.656 C=CCCOc1cc(ccc1F)Cl 34a_100000757397_100000754431 [0,3,0,0,0,0|0,0,0]=3 27361 B13R1.656 C=CCCOc1cc(ccc1F)Cl 7a_100000757397_100000754431 [0,3,0,0,0,0|0,0,0]=3 27362 B13R1.656 C=CCCOc1cc(ccc1F)F 34a_100000752141_100000754431 [0,3,0,0,0,0|0,0,0]=3 27363 B13R1.656 C=CCCOc1cc(ccc1F)F 7a_100000752141_100000754431 [0,3,0,0,0,0|0,0,0]=3 27364 B13R1.656 C=CCCOc1cc(ccc1F)I 34a_100009958187_100000754431 [0,3,0,0,0,0|0,0,0]=3 27365 B13R1.656 C=CCCOc1cc(ccc1F)I 7a_100009958187_100000754431 [0,3,0,0,0,0|0,0,0]=3 27366 B13R1.656 C=CCCOc1cc(ccc1F)N 34a_100012017398_100000754431 [0,3,0,0,0,0|0,0,0]=3 27367 B13R1.656 C=CCCOc1cc(ccc1F)N 7a_100012017398_100000754431 [0,3,0,0,0,0|0,0,0]=3 27368 B13R1.656 C=CCCOc1cc(ccc1I)Br 34a_100012344904_100000754431 [0,3,0,0,0,0|0,0,0]=3 27369 B13R1.656 C=CCCOc1cc(ccc1I)Br 7a_100012344904_100000754431 [0,3,0,0,0,0|0,0,0]=3 27370 B13R1.656 C=CCCOc1cc(ccc1I)Cl 34a_100000050036_100000754431 [0,3,0,0,0,0|0,0,0]=3 27371 B13R1.656 C=CCCOc1cc(ccc1I)Cl 7a_100000050036_100000754431 [0,3,0,0,0,0|0,0,0]=3 27372 B13R1.656 C=CCCOc1cc(ccc1I)F 34a_100010084537_100000754431 [0,3,0,0,0,0|0,0,0]=3 27373 B13R1.656 C=CCCOc1cc(ccc1I)F 7a_100010084537_100000754431 [0,3,0,0,0,0|0,0,0]=3 27374 B13R1.656 C=CCCOc1cc(ccc1N)Br 34a_100000739049_100000754431 [0,3,0,0,0,0|0,0,0]=3 27375 B13R1.656 C=CCCOc1cc(ccc1N)Br 7a_100000739049_100000754431 [0,3,0,0,0,0|0,0,0]=3 27376 B13R1.656 C=CCCOc1cc(ccc1N)C 34a_100000211527_100000754431 [0,3,0,0,0,0|0,0,0]=3 27377 B13R1.656 C=CCCOc1cc(ccc1N)C 7a_100000211527_100000754431 [0,3,0,0,0,0|0,0,0]=3 27378 B13R1.656 C=CCCOc1cc(ccc1N)Cl 34a_100000185728_100000754431 [0,3,0,0,0,0|0,0,0]=3 27379 B13R1.656 C=CCCOc1cc(ccc1N)Cl 7a_100000185728_100000754431 [0,3,0,0,0,0|0,0,0]=3 27380 B13R1.656 C=CCCOc1cc(ccc1N)F 34a_100000753323_100000754431 [0,3,0,0,0,0|0,0,0]=3 27381 B13R1.656 C=CCCOc1cc(ccc1N)F 7a_100000753323_100000754431 [0,3,0,0,0,0|0,0,0]=3 27382 B13R1.656 C=CCCOc1cc(ccc1N)I 34a_100000057187_100000754431 [0,3,0,0,0,0|0,0,0]=3 27383 B13R1.656 C=CCCOc1cc(ccc1N)I 7a_100000057187_100000754431 [0,3,0,0,0,0|0,0,0]=3 27384 B13R1.656 C=CCCOc1cc(ccc1N)N 34a_100025717382_100000754431 [0,3,0,0,0,0|0,0,0]=3 27385 B13R1.656 C=CCCOc1cc(cnc1Br)Cl 34a_100000697010_100000754431 [0,3,0,0,0,0|1,0,0]=4 27386 B13R1.656 C=CCCOc1cc(cnc1Br)Cl 7a_100000697010_100000754431 [0,3,0,0,0,0|1,0,0]=4 27387 B13R1.656 C=CCCOc1cc(cnc1Br)F 34a_100009820119_100000754431 [0,3,0,0,0,0|1,0,0]=4 27388 B13R1.656 C=CCCOc1cc(cnc1Br)F 7a_100009820119_100000754431 [0,3,0,0,0,0|1,0,0]=4 27389 B13R1.656 C=CCCOc1cc(cnc1C)Br 34a_100009864810_100000754431 [0,3,0,0,0,0|1,0,0]=4 27390 B13R1.656 C=CCCOc1cc(cnc1C)Br 7a_100009864810_100000754431 [0,3,0,0,0,0|1,0,0]=4 27391 B13R1.656 C=CCCOc1cc(cnc1Cl)Br 34a_100012354860_100000754431 [0,3,0,0,0,0|1,0,0]=4 27392 B13R1.656 C=CCCOc1cc(cnc1Cl)Br 7a_100012354860_100000754431 [0,3,0,0,0,0|1,0,0]=4 27393 B13R1.656 C=CCCOc1cc(cnc1Cl)C 34a_100012000487_100000754431 [0,3,0,0,0,0|1,0,0]=4 27394 B13R1.656 C=CCCOc1cc(cnc1Cl)C 7a_100012000487_100000754431 [0,3,0,0,0,0|1,0,0]=4 27395 B13R1.656 C=CCCOc1cc(cnc1Cl)F 34a_100000079967_100000754431 [0,3,0,0,0,0|1,0,0]=4 27396 B13R1.656 C=CCCOc1cc(cnc1Cl)F 7a_100000079967_100000754431 [0,3,0,0,0,0|1,0,0]=4 27397 B13R1.656 C=CCCOc1cc(cnc1F)Br 34a_100009819871_100000754431 [0,3,0,0,0,0|1,0,0]=4 27398 B13R1.656 C=CCCOc1cc(cnc1F)Br 7a_100009819871_100000754431 [0,3,0,0,0,0|1,0,0]=4 27399 B13R1.656 C=CCCOc1cc(cnc1F)C 34a_100009849810_100000754431 [0,3,0,0,0,0|1,0,0]=4 27400 B13R1.656 C=CCCOc1cc(cnc1F)C 7a_100009849810_100000754431 [0,3,0,0,0,0|1,0,0]=4 27401 B13R1.656 C=CCCOc1cc(cnc1F)Cl 34a_100000094372_100000754431 [0,3,0,0,0,0|1,0,0]=4 27402 B13R1.656 C=CCCOc1cc(cnc1F)Cl 7a_100000094372_100000754431 [0,3,0,0,0,0|1,0,0]=4 27403 B13R1.656 C=CCCOc1cc(cnc1I)Br 34a_100010210634_100000754431 [0,3,0,0,0,0|1,0,0]=4 27404 B13R1.656 C=CCCOc1cc(cnc1I)Br 7a_100010210634_100000754431 [0,3,0,0,0,0|1,0,0]=4 27405 B13R1.656 C=CCCOc1cc(cnc1I)Cl 34a_100010233512_100000754431 [0,3,0,0,0,0|1,0,0]=4 27406 B13R1.656 C=CCCOc1cc(cnc1I)Cl 7a_100010233512_100000754431 [0,3,0,0,0,0|1,0,0]=4 27407 B13R1.656 C=CCCOc1cc(cnc1I)F 34a_100015624800_100000754431 [0,3,0,0,0,0|1,0,0]=4 27408 B13R1.656 C=CCCOc1cc(cnc1I)F 7a_100015624800_100000754431 [0,3,0,0,0,0|1,0,0]=4 27409 B13R1.656 C=CCCOc1cc(cnc1N)Br 34a_100009819042_100000754431 [0,3,0,0,0,0|1,0,0]=4 27410 B13R1.656 C=CCCOc1cc(cnc1N)Br 7a_100009819042_100000754431 [0,3,0,0,0,0|1,0,0]=4 27411 B13R1.656 C=CCCOc1cc(cnc1N)Cl 34a_100000123674_100000754431 [0,3,0,0,0,0|1,0,0]=4 27412 B13R1.656 C=CCCOc1cc(cnc1N)Cl 7a_100000123674_100000754431 [0,3,0,0,0,0|1,0,0]=4 27413 B13R1.656 C=CCCOc1cc(cnc1N)F 34a_100000094369_100000754431 [0,3,0,0,0,0|1,0,0]=4 27414 B13R1.656 C=CCCOc1cc(cnc1N)F 7a_100000094369_100000754431 [0,3,0,0,0,0|1,0,0]=4 27415 B13R1.656 C=CCCOc1cc(ncc1Br)Br 34a_100010235016_100000754431 [0,3,0,0,0,0|1,0,0]=4 27416 B13R1.656 C=CCCOc1cc(ncc1Br)C 34a_100011016184_100000754431 [0,3,0,0,0,0|1,0,0]=4 27417 B13R1.656 C=CCCOc1cc(ncc1Br)Cl 34a_100010173860_100000754431 [0,3,0,0,0,0|1,0,0]=4 27418 B13R1.656 C=CCCOc1cc(ncc1C)Br 34a_100000704368_100000754431 [0,3,0,0,0,0|1,0,0]=4 27419 B13R1.656 C=CCCOc1cc(ncc1C)Br 7a_100000704368_100000754431 [0,3,0,0,0,0|1,0,0]=4 27420 B13R1.656 C=CCCOc1cc(ncc1Cl)Br 34a_100010173861_100000754431 [0,3,0,0,0,0|1,0,0]=4 27421 B13R1.656 C=CCCOc1cc(ncc1F)Br 34a_100009854642_100000754431 [0,3,0,0,0,0|1,0,0]=4 27422 B13R1.656 C=CCCOc1cc(ncc1F)Cl 34a_100009851168_100000754431 [0,3,0,0,0,0|1,0,0]=4 27423 B13R1.656 C=CCCOc1nc(ccc1Br)C 34a_100009817604_100000754431 [0,3,0,0,0,0|1,0,0]=4 27424 B13R1.656 C=CCCOc1nc(ccc1F)Cl 34a_100010729010_100000754431 [0,3,0,0,0,0|1,0,0]=4 27425 B13R1.656 C=CCCOc1nc(ccc1N)C 34a_100000687486_100000754431 [0,3,0,0,0,0|1,0,0]=4 27426 B13R1.656 C=CCCSc1cc(ccc1Br)Br 62a_100000754431_100011483371 [0,3,0,0,0,0|0,1,0]=4 27427 B13R1.656 C=CCCSc1cc(ccc1Br)Br 62a_100011483371_100000754431 [0,3,0,0,0,0|0,1,0]=4 27428 B13R1.656 C=CCCSc1cc(ccc1Br)C 62a_100000754431_100012353751 [0,3,0,0,0,0|0,1,0]=4 27429 B13R1.656 C=CCCSc1cc(ccc1Br)C 62a_100012353751_100000754431 [0,3,0,0,0,0|0,1,0]=4 27430 B13R1.656 C=CCCSc1cc(ccc1Br)Cl 62a_100000754431_100012339723 [0,3,0,0,0,0|0,1,0]=4 27431 B13R1.656 C=CCCSc1cc(ccc1Br)Cl 62a_100012339723_100000754431 [0,3,0,0,0,0|0,1,0]=4 27432 B13R1.656 C=CCCSc1cc(ccc1Br)F 62a_100000754431_100011217576 [0,3,0,0,0,0|0,1,0]=4 27433 B13R1.656 C=CCCSc1cc(ccc1Br)F 62a_100011217576_100000754431 [0,3,0,0,0,0|0,1,0]=4 27434 B13R1.656 C=CCCSc1cc(ccc1Br)N 62a_100000750459_100000754431 [0,3,0,0,0,0|0,1,0]=4 27435 B13R1.656 C=CCCSc1cc(ccc1Br)N 62a_100000754431_100000750459 [0,3,0,0,0,0|0,1,0]=4 27436 B13R1.656 C=CCCSc1cc(ccc1Br)O 62a_100000754431_100012339312 [0,3,0,0,0,0|0,1,0]=4 27437 B13R1.656 C=CCCSc1cc(ccc1Br)O 62a_100012339312_100000754431 [0,3,0,0,0,0|0,1,0]=4 27438 B13R1.656 C=CCCSc1cc(ccc1C)Br 62a_100000754431_100011344865 [0,3,0,0,0,0|0,1,0]=4 27439 B13R1.656 C=CCCSc1cc(ccc1C)Br 62a_100011344865_100000754431 [0,3,0,0,0,0|0,1,0]=4 27440 B13R1.656 C=CCCSc1cc(ccc1C)C 62a_100000210833_100000754431 [0,3,0,0,0,0|0,1,0]=4 27441 B13R1.656 C=CCCSc1cc(ccc1C)C 62a_100000754431_100000210833 [0,3,0,0,0,0|0,1,0]=4 27442 B13R1.656 C=CCCSc1cc(ccc1C)Cl 62a_100000754431_100011263213 [0,3,0,0,0,0|0,1,0]=4 27443 B13R1.656 C=CCCSc1cc(ccc1C)Cl 62a_100011263213_100000754431 [0,3,0,0,0,0|0,1,0]=4 27444 B13R1.656 C=CCCSc1cc(ccc1C)F 62a_100000754431_100011218078 [0,3,0,0,0,0|0,1,0]=4 27445 B13R1.656 C=CCCSc1cc(ccc1C)F 62a_100011218078_100000754431 [0,3,0,0,0,0|0,1,0]=4 27446 B13R1.656 C=CCCSc1cc(ccc1C)N 62a_100000736455_100000754431 [0,3,0,0,0,0|0,1,0]=4 27447 B13R1.656 C=CCCSc1cc(ccc1C)N 62a_100000754431_100000736455 [0,3,0,0,0,0|0,1,0]=4 27448 B13R1.656 C=CCCSc1cc(ccc1C)O 62a_100000754431_100011380479 [0,3,0,0,0,0|0,1,0]=4 27449 B13R1.656 C=CCCSc1cc(ccc1C)O 62a_100011380479_100000754431 [0,3,0,0,0,0|0,1,0]=4 27450 B13R1.656 C=CCCSc1cc(ccc1Cl)Br 62a_100000754431_100011772130 [0,3,0,0,0,0|0,1,0]=4 27451 B13R1.656 C=CCCSc1cc(ccc1Cl)Br 62a_100011772130_100000754431 [0,3,0,0,0,0|0,1,0]=4 27452 B13R1.656 C=CCCSc1cc(ccc1Cl)C 62a_100000754431_100012356289 [0,3,0,0,0,0|0,1,0]=4 27453 B13R1.656 C=CCCSc1cc(ccc1Cl)C 62a_100012356289_100000754431 [0,3,0,0,0,0|0,1,0]=4 27454 B13R1.656 C=CCCSc1cc(ccc1Cl)Cl 62a_100000707729_100000754431 [0,3,0,0,0,0|0,1,0]=4 27455 B13R1.656 C=CCCSc1cc(ccc1Cl)Cl 62a_100000754431_100000707729 [0,3,0,0,0,0|0,1,0]=4 27456 B13R1.656 C=CCCSc1cc(ccc1Cl)F 62a_100000754431_100011217299 [0,3,0,0,0,0|0,1,0]=4 27457 B13R1.656 C=CCCSc1cc(ccc1Cl)F 62a_100011217299_100000754431 [0,3,0,0,0,0|0,1,0]=4 27458 B13R1.656 C=CCCSc1cc(ccc1Cl)N 62a_100000754431_100012360549 [0,3,0,0,0,0|0,1,0]=4 27459 B13R1.656 C=CCCSc1cc(ccc1Cl)N 62a_100012360549_100000754431 [0,3,0,0,0,0|0,1,0]=4 27460 B13R1.656 C=CCCSc1cc(ccc1Cl)O 62a_100000049588_100000754431 [0,3,0,0,0,0|0,1,0]=4 27461 B13R1.656 C=CCCSc1cc(ccc1Cl)O 62a_100000754431_100000049588 [0,3,0,0,0,0|0,1,0]=4 27462 B13R1.656 C=CCCSc1cc(ccc1F)Br 62a_100000754431_100011217312 [0,3,0,0,0,0|0,1,0]=4 27463 B13R1.656 C=CCCSc1cc(ccc1F)Br 62a_100011217312_100000754431 [0,3,0,0,0,0|0,1,0]=4 27464 B13R1.656 C=CCCSc1cc(ccc1F)C 62a_100000736223_100000754431 [0,3,0,0,0,0|0,1,0]=4 27465 B13R1.656 C=CCCSc1cc(ccc1F)C 62a_100000754431_100000736223 [0,3,0,0,0,0|0,1,0]=4 27466 B13R1.656 C=CCCSc1cc(ccc1F)Cl 62a_100000754431_100011218116 [0,3,0,0,0,0|0,1,0]=4 27467 B13R1.656 C=CCCSc1cc(ccc1F)Cl 62a_100011218116_100000754431 [0,3,0,0,0,0|0,1,0]=4 27468 B13R1.656 C=CCCSc1cc(ccc1F)F 62a_100000754431_100011219198 [0,3,0,0,0,0|0,1,0]=4 27469 B13R1.656 C=CCCSc1cc(ccc1F)F 62a_100011219198_100000754431 [0,3,0,0,0,0|0,1,0]=4 27470 B13R1.656 C=CCCSc1cc(ccc1F)N 62a_100000754431_100000760356 [0,3,0,0,0,0|0,1,0]=4 27471 B13R1.656 C=CCCSc1cc(ccc1F)N 62a_100000760356_100000754431 [0,3,0,0,0,0|0,1,0]=4 27472 B13R1.656 C=CCCSc1cc(ccc1F)O 62a_100000693481_100000754431 [0,3,0,0,0,0|0,1,0]=4 27473 B13R1.656 C=CCCSc1cc(ccc1F)O 62a_100000754431_100000693481 [0,3,0,0,0,0|0,1,0]=4 27474 B13R1.656 C=CCCSc1cc(ccc1N)Br 62a_100000187925_100000754431 [0,3,0,0,0,0|0,1,0]=4 27475 B13R1.656 C=CCCSc1cc(ccc1N)Br 62a_100000754431_100000187925 [0,3,0,0,0,0|0,1,0]=4 27476 B13R1.656 C=CCCSc1cc(ccc1N)C 62a_100000754431_100011356834 [0,3,0,0,0,0|0,1,0]=4 27477 B13R1.656 C=CCCSc1cc(ccc1N)C 62a_100011356834_100000754431 [0,3,0,0,0,0|0,1,0]=4 27478 B13R1.656 C=CCCSc1cc(ccc1N)Cl 62a_100000754431_100000761889 [0,3,0,0,0,0|0,1,0]=4 27479 B13R1.656 C=CCCSc1cc(ccc1N)Cl 62a_100000761889_100000754431 [0,3,0,0,0,0|0,1,0]=4 27480 B13R1.656 C=CCCSc1cc(ccc1N)F 62a_100000754431_100000760547 [0,3,0,0,0,0|0,1,0]=4 27481 B13R1.656 C=CCCSc1cc(ccc1N)F 62a_100000760547_100000754431 [0,3,0,0,0,0|0,1,0]=4 27482 B13R1.656 C=CCCSc1cc(ccc1N)N 62a_100000754431_100011534242 [0,3,0,0,0,0|0,1,0]=4 27483 B13R1.656 C=CCCSc1cc(ccc1N)N 62a_100011534242_100000754431 [0,3,0,0,0,0|0,1,0]=4 27484 B13R1.656 C=CCCSc1cc(ccc1N)O 62a_100000754431_100012001276 [0,3,0,0,0,0|0,1,0]=4 27485 B13R1.656 C=CCCSc1cc(ccc1N)O 62a_100012001276_100000754431 [0,3,0,0,0,0|0,1,0]=4 27486 B13R1.656 C=CCCSc1cc(ccc1O)Br 62a_100000754431_100012355227 [0,3,0,0,0,0|0,1,0]=4 27487 B13R1.656 C=CCCSc1cc(ccc1O)Br 62a_100012355227_100000754431 [0,3,0,0,0,0|0,1,0]=4 27488 B13R1.656 C=CCCSc1cc(ccc1O)C 62a_100000754431_100000765521 [0,3,0,0,0,0|0,1,0]=4 27489 B13R1.656 C=CCCSc1cc(ccc1O)C 62a_100000765521_100000754431 [0,3,0,0,0,0|0,1,0]=4 27490 B13R1.656 C=CCCSc1cc(ccc1O)Cl 62a_100000754431_100011356953 [0,3,0,0,0,0|0,1,0]=4 27491 B13R1.656 C=CCCSc1cc(ccc1O)Cl 62a_100011356953_100000754431 [0,3,0,0,0,0|0,1,0]=4 27492 B13R1.656 C=CCCSc1cc(ccc1O)F 62a_100000211999_100000754431 [0,3,0,0,0,0|0,1,0]=4 27493 B13R1.656 C=CCCSc1cc(ccc1O)F 62a_100000754431_100000211999 [0,3,0,0,0,0|0,1,0]=4 27494 B13R1.656 C=CCCSc1cc(ccc1O)N 62a_100000754431_100011534360 [0,3,0,0,0,0|0,1,0]=4 27495 B13R1.656 C=CCCSc1cc(ccc1O)N 62a_100011534360_100000754431 [0,3,0,0,0,0|0,1,0]=4 27496 B13R1.656 C=CCCSc1cc(ccc1O)O 62a_100000754431_100009813629 [0,3,0,0,0,0|0,1,0]=4 27497 B13R1.656 C=CCNCc1cc(ccc1Br)Br 2230a_100020586998_100011982794 [0,3,0,0,0,0|1,0,0]=4 27498 B13R1.656 C=CCNCc1cc(ccc1Br)Br 270004a_100020586998_100011266429 [0,3,0,0,0,0|1,0,0]=4 27499 B13R1.656 C=CCNCc1cc(ccc1Br)Br 34a_100000707832_100015514636 [0,3,0,0,0,0|1,0,0]=4 27500 B13R1.656 C=CCNCc1cc(ccc1Br)C 270004a_100020586998_100011551863 [0,3,0,0,0,0|1,0,0]=4 27501 B13R1.656 C=CCNCc1cc(ccc1Br)Cl 2230a_100020586998_100000733903 [0,3,0,0,0,0|1,0,0]=4 27502 B13R1.656 C=CCNCc1cc(ccc1Br)Cl 270004a_100020586998_100000746314 [0,3,0,0,0,0|1,0,0]=4 27503 B13R1.656 C=CCNCc1cc(ccc1Br)F 2230a_100000742738_100000210623 [0,3,0,0,0,0|1,0,0]=4 27504 B13R1.656 C=CCNCc1cc(ccc1Br)F 2230a_100020586998_100000736370 [0,3,0,0,0,0|1,0,0]=4 27505 B13R1.656 C=CCNCc1cc(ccc1Br)F 270004a_100020586998_100000766564 [0,3,0,0,0,0|1,0,0]=4 27506 B13R1.656 C=CCNCc1cc(ccc1Br)F 34a_100000742738_100015514636 [0,3,0,0,0,0|1,0,0]=4 27507 B13R1.656 C=CCNCc1cc(ccc1Br)I 2230a_100020586998_100012355412 [0,3,0,0,0,0|1,0,0]=4 27508 B13R1.656 C=CCNCc1cc(ccc1C)Br 270004a_100020586998_100011361606 [0,3,0,0,0,0|1,0,0]=4 27509 B13R1.656 C=CCNCc1cc(ccc1C)C 2230a_100020586998_100000184699 [0,3,0,0,0,0|1,0,0]=4 27510 B13R1.656 C=CCNCc1cc(ccc1C)C 270004a_100020586998_100000211343 [0,3,0,0,0,0|1,0,0]=4 27511 B13R1.656 C=CCNCc1cc(ccc1C)C 34a_100000174964_100015514636 [0,3,0,0,0,0|1,0,0]=4 27512 B13R1.656 C=CCNCc1cc(ccc1C)Cl 2230a_100020586998_100012186985 [0,3,0,0,0,0|1,0,0]=4 27513 B13R1.656 C=CCNCc1cc(ccc1C)Cl 270004a_100020586998_100011551331 [0,3,0,0,0,0|1,0,0]=4 27514 B13R1.656 C=CCNCc1cc(ccc1C)Cl 34a_100000717755_100015514636 [0,3,0,0,0,0|1,0,0]=4 27515 B13R1.656 C=CCNCc1cc(ccc1C)F 2230a_100020586998_100000709795 [0,3,0,0,0,0|1,0,0]=4 27516 B13R1.656 C=CCNCc1cc(ccc1C)F 270004a_100020586998_100000697687 [0,3,0,0,0,0|1,0,0]=4 27517 B13R1.656 C=CCNCc1cc(ccc1C)F 34a_100011217291_100015514636 [0,3,0,0,0,0|1,0,0]=4 27518 B13R1.656 C=CCNCc1cc(ccc1C)O 34a_200009844824_100015514636 [0,3,0,0,0,0|1,0,0]=4 27519 B13R1.656 C=CCNCc1cc(ccc1Cl)Br 2230a_100020586998_100000763347 [0,3,0,0,0,0|1,0,0]=4 27520 B13R1.656 C=CCNCc1cc(ccc1Cl)Br 270004a_100020586998_100000746309 [0,3,0,0,0,0|1,0,0]=4 27521 B13R1.656 C=CCNCc1cc(ccc1Cl)Br 34a_100025772652_100015514636 [0,3,0,0,0,0|1,0,0]=4 27522 B13R1.656 C=CCNCc1cc(ccc1Cl)C 2230a_100020586998_100009871730 [0,3,0,0,0,0|1,0,0]=4 27523 B13R1.656 C=CCNCc1cc(ccc1Cl)C 2230a_100025705715_100000210623 [0,3,0,0,0,0|1,0,0]=4 27524 B13R1.656 C=CCNCc1cc(ccc1Cl)C 270004a_100020586998_100011551332 [0,3,0,0,0,0|1,0,0]=4 27525 B13R1.656 C=CCNCc1cc(ccc1Cl)C 34a_100025705715_100015514636 [0,3,0,0,0,0|1,0,0]=4 27526 B13R1.656 C=CCNCc1cc(ccc1Cl)Cl 2230a_100020586998_100000756322 [0,3,0,0,0,0|1,0,0]=4 27527 B13R1.656 C=CCNCc1cc(ccc1Cl)Cl 270004a_100020586998_100000746308 [0,3,0,0,0,0|1,0,0]=4 27528 B13R1.656 C=CCNCc1cc(ccc1Cl)Cl 34a_100102946428_100015514636 [0,3,0,0,0,0|1,0,0]=4 27529 B13R1.656 C=CCNCc1cc(ccc1Cl)F 2230a_100011830483_100000210623 [0,3,0,0,0,0|1,0,0]=4 27530 B13R1.656 C=CCNCc1cc(ccc1Cl)F 2230a_100020586998_100000709952 [0,3,0,0,0,0|1,0,0]=4 27531 B13R1.656 C=CCNCc1cc(ccc1Cl)F 270004a_100020586998_100011218309 [0,3,0,0,0,0|1,0,0]=4 27532 B13R1.656 C=CCNCc1cc(ccc1Cl)F 34a_100011830483_100015514636 [0,3,0,0,0,0|1,0,0]=4 27533 B13R1.656 C=CCNCc1cc(ccc1Cl)I 2230a_100020586998_100010188191 [0,3,0,0,0,0|1,0,0]=4 27534 B13R1.656 C=CCNCc1cc(ccc1F)Br 2230a_100020586998_100000736399 [0,3,0,0,0,0|1,0,0]=4 27535 B13R1.656 C=CCNCc1cc(ccc1F)Br 270004a_100020586998_100000211465 [0,3,0,0,0,0|1,0,0]=4 27536 B13R1.656 C=CCNCc1cc(ccc1F)Br 34a_100009815772_100015514636 [0,3,0,0,0,0|1,0,0]=4 27537 B13R1.656 C=CCNCc1cc(ccc1F)C 2230a_100020586998_100011260760 [0,3,0,0,0,0|1,0,0]=4 27538 B13R1.656 C=CCNCc1cc(ccc1F)C 270004a_100020586998_100000756917 [0,3,0,0,0,0|1,0,0]=4 27539 B13R1.656 C=CCNCc1cc(ccc1F)C 34a_100102693586_100015514636 [0,3,0,0,0,0|1,0,0]=4 27540 B13R1.656 C=CCNCc1cc(ccc1F)Cl 2230a_100020586998_100000716957 [0,3,0,0,0,0|1,0,0]=4 27541 B13R1.656 C=CCNCc1cc(ccc1F)Cl 270004a_100020586998_100000745245 [0,3,0,0,0,0|1,0,0]=4 27542 B13R1.656 C=CCNCc1cc(ccc1F)Cl 34a_100011211646_100015514636 [0,3,0,0,0,0|1,0,0]=4 27543 B13R1.656 C=CCNCc1cc(ccc1F)F 2230a_100020586998_100000741279 [0,3,0,0,0,0|1,0,0]=4 27544 B13R1.656 C=CCNCc1cc(ccc1F)F 270004a_100020586998_100000740046 [0,3,0,0,0,0|1,0,0]=4 27545 B13R1.656 C=CCNCc1cc(ccc1F)F 34a_100000752317_100015514636 [0,3,0,0,0,0|1,0,0]=4 27546 B13R1.656 C=CCNCc1cc(ccc1F)I 2230a_100020586998_200010149601 [0,3,0,0,0,0|1,0,0]=4 27547 B13R1.656 C=CCNCc1cc(ccc1F)O 271570a_203496583355_100000196267 [0,3,0,0,0,0|1,0,0]=4 27548 B13R1.656 C=CCNCc1cc(ccc1I)Br 2230a_100020586998_100012362523 [0,3,0,0,0,0|1,0,0]=4 27549 B13R1.656 C=CCNCc1cc(ccc1I)Br 270004a_100020586998_100010185651 [0,3,0,0,0,0|1,0,0]=4 27550 B13R1.656 C=CCNCc1cc(ccc1I)C 270004a_100020586998_100010150105 [0,3,0,0,0,0|1,0,0]=4 27551 B13R1.656 C=CCNCc1cc(ccc1I)Cl 2230a_100020586998_100012348826 [0,3,0,0,0,0|1,0,0]=4 27552 B13R1.656 C=CCNCc1cc(ccc1I)Cl 270004a_100020586998_100010254386 [0,3,0,0,0,0|1,0,0]=4 27553 B13R1.656 C=CCNCc1cc(ccc1I)F 2230a_100020586998_100010149606 [0,3,0,0,0,0|1,0,0]=4 27554 B13R1.656 C=CCNCc1cc(ccc1I)F 270004a_100020586998_100010186294 [0,3,0,0,0,0|1,0,0]=4 27555 B13R1.656 C=CCNCc1cc(ccc1O)Br 34a_100000730032_100015514636 [0,3,0,0,0,0|1,0,0]=4 27556 B13R1.656 C=CCNCc1cc(ccc1O)Cl 34a_100000238540_100015514636 [0,3,0,0,0,0|1,0,0]=4 27557 B13R1.656 C=CCOCc1cc(ccc1Br)Br 34a_100011266457_100015514636 [0,3,0,0,0,0|0,0,0]=3 27558 B13R1.656 C=CCOCc1cc(ccc1Br)Br 34a_200000210373_100011982794 [0,3,0,0,0,0|0,0,0]=3 27559 B13R1.656 C=CCOCc1cc(ccc1Br)Br 7a_100011266457_100015514636 [0,3,0,0,0,0|0,0,0]=3 27560 B13R1.656 C=CCOCc1cc(ccc1Br)C 34a_100012361352_100015514636 [0,3,0,0,0,0|0,0,0]=3 27561 B13R1.656 C=CCOCc1cc(ccc1Br)C 7a_100012361352_100015514636 [0,3,0,0,0,0|0,0,0]=3 27562 B13R1.656 C=CCOCc1cc(ccc1Br)Cl 34a_100012355668_100015514636 [0,3,0,0,0,0|0,0,0]=3 27563 B13R1.656 C=CCOCc1cc(ccc1Br)Cl 34a_200000210373_100000733903 [0,3,0,0,0,0|0,0,0]=3 27564 B13R1.656 C=CCOCc1cc(ccc1Br)Cl 7a_100012355668_100015514636 [0,3,0,0,0,0|0,0,0]=3 27565 B13R1.656 C=CCOCc1cc(ccc1Br)F 34a_100011217561_100015514636 [0,3,0,0,0,0|0,0,0]=3 27566 B13R1.656 C=CCOCc1cc(ccc1Br)F 34a_200000210373_100000736370 [0,3,0,0,0,0|0,0,0]=3 27567 B13R1.656 C=CCOCc1cc(ccc1Br)F 7a_100011217561_100015514636 [0,3,0,0,0,0|0,0,0]=3 27568 B13R1.656 C=CCOCc1cc(ccc1Br)I 34a_200000210373_100012355412 [0,3,0,0,0,0|0,0,0]=3 27569 B13R1.656 C=CCOCc1cc(ccc1Br)I 7a_100012359683_100015514636 [0,3,0,0,0,0|0,0,0]=3 27570 B13R1.656 C=CCOCc1cc(ccc1Br)N 34a_100012347228_100015514636 [0,3,0,0,0,0|0,0,0]=3 27571 B13R1.656 C=CCOCc1cc(ccc1C)Br 34a_100000700630_100015514636 [0,3,0,0,0,0|0,0,0]=3 27572 B13R1.656 C=CCOCc1cc(ccc1C)Br 7a_100000700630_100015514636 [0,3,0,0,0,0|0,0,0]=3 27573 B13R1.656 C=CCOCc1cc(ccc1C)C 34a_200000210373_100000184699 [0,3,0,0,0,0|0,0,0]=3 27574 B13R1.656 C=CCOCc1cc(ccc1C)C 34a_200011215349_100015514636 [0,3,0,0,0,0|0,0,0]=3 27575 B13R1.656 C=CCOCc1cc(ccc1C)C 7a_200011215349_100015514636 [0,3,0,0,0,0|0,0,0]=3 27576 B13R1.656 C=CCOCc1cc(ccc1C)Cl 34a_100012002407_100015514636 [0,3,0,0,0,0|0,0,0]=3 27577 B13R1.656 C=CCOCc1cc(ccc1C)Cl 34a_200000210373_100012186985 [0,3,0,0,0,0|0,0,0]=3 27578 B13R1.656 C=CCOCc1cc(ccc1C)Cl 7a_100012002407_100015514636 [0,3,0,0,0,0|0,0,0]=3 27579 B13R1.656 C=CCOCc1cc(ccc1C)F 34a_100011219218_100015514636 [0,3,0,0,0,0|0,0,0]=3 27580 B13R1.656 C=CCOCc1cc(ccc1C)F 34a_200000210373_100000709795 [0,3,0,0,0,0|0,0,0]=3 27581 B13R1.656 C=CCOCc1cc(ccc1C)F 7a_100011219218_100015514636 [0,3,0,0,0,0|0,0,0]=3 27582 B13R1.656 C=CCOCc1cc(ccc1C)I 34a_100010150140_100015514636 [0,3,0,0,0,0|0,0,0]=3 27583 B13R1.656 C=CCOCc1cc(ccc1C)I 7a_100010150140_100015514636 [0,3,0,0,0,0|0,0,0]=3 27584 B13R1.656 C=CCOCc1cc(ccc1Cl)Br 34a_100011215897_100015514636 [0,3,0,0,0,0|0,0,0]=3 27585 B13R1.656 C=CCOCc1cc(ccc1Cl)Br 34a_200000210373_100000763347 [0,3,0,0,0,0|0,0,0]=3 27586 B13R1.656 C=CCOCc1cc(ccc1Cl)Br 7a_100011215897_100015514636 [0,3,0,0,0,0|0,0,0]=3 27587 B13R1.656 C=CCOCc1cc(ccc1Cl)C 34a_100009878994_100015514636 [0,3,0,0,0,0|0,0,0]=3 27588 B13R1.656 C=CCOCc1cc(ccc1Cl)C 34a_200000210373_100009871730 [0,3,0,0,0,0|0,0,0]=3 27589 B13R1.656 C=CCOCc1cc(ccc1Cl)C 7a_100009878994_100015514636 [0,3,0,0,0,0|0,0,0]=3 27590 B13R1.656 C=CCOCc1cc(ccc1Cl)Cl 34a_100000698905_100015514636 [0,3,0,0,0,0|0,0,0]=3 27591 B13R1.656 C=CCOCc1cc(ccc1Cl)Cl 34a_200000210373_100000756322 [0,3,0,0,0,0|0,0,0]=3 27592 B13R1.656 C=CCOCc1cc(ccc1Cl)Cl 7a_100000698905_100015514636 [0,3,0,0,0,0|0,0,0]=3 27593 B13R1.656 C=CCOCc1cc(ccc1Cl)F 34a_100011218361_100015514636 [0,3,0,0,0,0|0,0,0]=3 27594 B13R1.656 C=CCOCc1cc(ccc1Cl)F 34a_200000210373_100000709952 [0,3,0,0,0,0|0,0,0]=3 27595 B13R1.656 C=CCOCc1cc(ccc1Cl)F 7a_100011218361_100015514636 [0,3,0,0,0,0|0,0,0]=3 27596 B13R1.656 C=CCOCc1cc(ccc1Cl)I 34a_100010128486_100015514636 [0,3,0,0,0,0|0,0,0]=3 27597 B13R1.656 C=CCOCc1cc(ccc1Cl)I 34a_200000210373_100010188191 [0,3,0,0,0,0|0,0,0]=3 27598 B13R1.656 C=CCOCc1cc(ccc1Cl)I 7a_100010128486_100015514636 [0,3,0,0,0,0|0,0,0]=3 27599 B13R1.656 C=CCOCc1cc(ccc1Cl)N 34a_100011273577_100015514636 [0,3,0,0,0,0|0,0,0]=3 27600 B13R1.656 C=CCOCc1cc(ccc1F)Br 34a_100000246282_100015514636 [0,3,0,0,0,0|0,0,0]=3 27601 B13R1.656 C=CCOCc1cc(ccc1F)Br 34a_200000210373_100000736399 [0,3,0,0,0,0|0,0,0]=3 27602 B13R1.656 C=CCOCc1cc(ccc1F)Br 7a_100000246282_100015514636 [0,3,0,0,0,0|0,0,0]=3 27603 B13R1.656 C=CCOCc1cc(ccc1F)C 34a_100011692775_100015514636 [0,3,0,0,0,0|0,0,0]=3 27604 B13R1.656 C=CCOCc1cc(ccc1F)C 34a_200000210373_100011260760 [0,3,0,0,0,0|0,0,0]=3 27605 B13R1.656 C=CCOCc1cc(ccc1F)C 7a_100011692775_100015514636 [0,3,0,0,0,0|0,0,0]=3 27606 B13R1.656 C=CCOCc1cc(ccc1F)Cl 34a_100011217248_100015514636 [0,3,0,0,0,0|0,0,0]=3 27607 B13R1.656 C=CCOCc1cc(ccc1F)Cl 34a_200000210373_100000716957 [0,3,0,0,0,0|0,0,0]=3 27608 B13R1.656 C=CCOCc1cc(ccc1F)Cl 7a_100011217248_100015514636 [0,3,0,0,0,0|0,0,0]=3 27609 B13R1.656 C=CCOCc1cc(ccc1F)F 34a_100011217725_100015514636 [0,3,0,0,0,0|0,0,0]=3 27610 B13R1.656 C=CCOCc1cc(ccc1F)F 34a_200000210373_100000741279 [0,3,0,0,0,0|0,0,0]=3 27611 B13R1.656 C=CCOCc1cc(ccc1F)F 7a_100011217725_100015514636 [0,3,0,0,0,0|0,0,0]=3 27612 B13R1.656 C=CCOCc1cc(ccc1F)I 34a_100000049604_100015514636 [0,3,0,0,0,0|0,0,0]=3 27613 B13R1.656 C=CCOCc1cc(ccc1F)I 34a_200000210373_200010149601 [0,3,0,0,0,0|0,0,0]=3 27614 B13R1.656 C=CCOCc1cc(ccc1F)I 7a_100000049604_100015514636 [0,3,0,0,0,0|0,0,0]=3 27615 B13R1.656 C=CCOCc1cc(ccc1F)N 34a_100011218011_100015514636 [0,3,0,0,0,0|0,0,0]=3 27616 B13R1.656 C=CCOCc1cc(ccc1I)Br 34a_100011356890_100015514636 [0,3,0,0,0,0|0,0,0]=3 27617 B13R1.656 C=CCOCc1cc(ccc1I)Br 34a_200000210373_100012362523 [0,3,0,0,0,0|0,0,0]=3 27618 B13R1.656 C=CCOCc1cc(ccc1I)Br 7a_100011356890_100015514636 [0,3,0,0,0,0|0,0,0]=3 27619 B13R1.656 C=CCOCc1cc(ccc1I)Cl 34a_200000210373_100012348826 [0,3,0,0,0,0|0,0,0]=3 27620 B13R1.656 C=CCOCc1cc(ccc1I)F 34a_100010255287_100015514636 [0,3,0,0,0,0|0,0,0]=3 27621 B13R1.656 C=CCOCc1cc(ccc1I)F 34a_200000210373_100010149606 [0,3,0,0,0,0|0,0,0]=3 27622 B13R1.656 C=CCOCc1cc(ccc1I)F 7a_100010255287_100015514636 [0,3,0,0,0,0|0,0,0]=3 27623 B13R1.656 C=CCOCc1cc(ccc1N)Br 34a_100012353972_100015514636 [0,3,0,0,0,0|0,0,0]=3 27624 B13R1.656 C=CCOCc1cc(ccc1N)Br 7a_100012353972_100015514636 [0,3,0,0,0,0|0,0,0]=3 27625 B13R1.656 C=CCOCc1cc(ccc1N)C 34a_100011215565_100015514636 [0,3,0,0,0,0|0,0,0]=3 27626 B13R1.656 C=CCOCc1cc(ccc1N)C 7a_100011215565_100015514636 [0,3,0,0,0,0|0,0,0]=3 27627 B13R1.656 C=CCOCc1cc(ccc1N)Cl 34a_100011214999_100015514636 [0,3,0,0,0,0|0,0,0]=3 27628 B13R1.656 C=CCOCc1cc(ccc1N)Cl 7a_100011214999_100015514636 [0,3,0,0,0,0|0,0,0]=3 27629 B13R1.656 C=CCOCc1cc(ccc1N)F 34a_100011296978_100015514636 [0,3,0,0,0,0|0,0,0]=3 27630 B13R1.656 C=CCOCc1cc(ccc1N)F 7a_100011296978_100015514636 [0,3,0,0,0,0|0,0,0]=3 27631 B13R1.656 C=CCOCc1cc(ccc1O)F 34a_200000210373_100010161318 [0,3,0,0,0,0|0,0,0]=3 27632 B13R1.656 C=CCOCc1cc(cnc1Br)Br 34a_200000210373_100010253922 [0,3,0,0,0,0|1,0,0]=4 27633 B13R1.656 C=CCOCc1cc(cnc1Br)Cl 34a_200010065233_100015514636 [0,3,0,0,0,0|1,0,0]=4 27634 B13R1.656 C=CCOCc1cc(cnc1Br)Cl 7a_200010065233_100015514636 [0,3,0,0,0,0|1,0,0]=4 27635 B13R1.656 C=CCOCc1cc(cnc1C)Br 34a_100010894652_100015514636 [0,3,0,0,0,0|1,0,0]=4 27636 B13R1.656 C=CCOCc1cc(cnc1C)Br 7a_100010894652_100015514636 [0,3,0,0,0,0|1,0,0]=4 27637 B13R1.656 C=CCOCc1cc(cnc1Cl)Br 34a_100000734252_100015514636 [0,3,0,0,0,0|1,0,0]=4 27638 B13R1.656 C=CCOCc1cc(cnc1Cl)Br 34a_200000210373_100009816982 [0,3,0,0,0,0|1,0,0]=4 27639 B13R1.656 C=CCOCc1cc(cnc1Cl)Br 7a_100000734252_100015514636 [0,3,0,0,0,0|1,0,0]=4 27640 B13R1.656 C=CCOCc1cc(cnc1Cl)C 34a_100000118064_100015514636 [0,3,0,0,0,0|1,0,0]=4 27641 B13R1.656 C=CCOCc1cc(cnc1Cl)C 7a_100000118064_100015514636 [0,3,0,0,0,0|1,0,0]=4 27642 B13R1.656 C=CCOCc1cc(cnc1Cl)Cl 34a_100000084153_100015514636 [0,3,0,0,0,0|1,0,0]=4 27643 B13R1.656 C=CCOCc1cc(cnc1Cl)Cl 7a_100000084153_100015514636 [0,3,0,0,0,0|1,0,0]=4 27644 B13R1.656 C=CCOCc1cc(cnc1Cl)F 34a_100000079972_100015514636 [0,3,0,0,0,0|1,0,0]=4 27645 B13R1.656 C=CCOCc1cc(cnc1Cl)F 7a_100000079972_100015514636 [0,3,0,0,0,0|1,0,0]=4 27646 B13R1.656 C=CCOCc1cc(cnc1F)Br 34a_100010202234_100015514636 [0,3,0,0,0,0|1,0,0]=4 27647 B13R1.656 C=CCOCc1cc(cnc1F)Br 7a_100010202234_100015514636 [0,3,0,0,0,0|1,0,0]=4 27648 B13R1.656 C=CCOCc1cc(cnc1F)Cl 34a_200000081815_100015514636 [0,3,0,0,0,0|1,0,0]=4 27649 B13R1.656 C=CCOCc1cc(cnc1F)Cl 7a_200000081815_100015514636 [0,3,0,0,0,0|1,0,0]=4 27650 B13R1.656 C=CCOCc1cc(cnc1N)Br 34a_100011934449_100015514636 [0,3,0,0,0,0|1,0,0]=4 27651 B13R1.656 C=CCOCc1cc(cnc1N)Br 7a_100011934449_100015514636 [0,3,0,0,0,0|1,0,0]=4 27652 B13R1.656 C=CCOCc1cc(ncc1Br)Br 34a_100010245045_100015514636 [0,3,0,0,0,0|1,0,0]=4 27653 B13R1.656 C=CCOCc1cc(ncc1Br)Br 7a_100010245045_100015514636 [0,3,0,0,0,0|1,0,0]=4 27654 B13R1.656 C=CCOCc1cc(ncc1Br)C 34a_100015579599_100015514636 [0,3,0,0,0,0|1,0,0]=4 27655 B13R1.656 C=CCOCc1cc(ncc1Br)Cl 34a_100010245067_100015514636 [0,3,0,0,0,0|1,0,0]=4 27656 B13R1.656 C=CCOCc1cc(ncc1Br)Cl 7a_100010245067_100015514636 [0,3,0,0,0,0|1,0,0]=4 27657 B13R1.656 C=CCOCc1cc(ncc1Cl)Cl 34a_100000081519_100015514636 [0,3,0,0,0,0|1,0,0]=4 27658 B13R1.656 C=CCOCc1cc(ncc1Cl)Cl 7a_100000081519_100015514636 [0,3,0,0,0,0|1,0,0]=4 27659 B13R1.656 C=CCOCc1cc(ncc1F)Cl 34a_100000081974_100015514636 [0,3,0,0,0,0|1,0,0]=4 27660 B13R1.656 C=CCOCc1cc(ncc1F)Cl 7a_100000081974_100015514636 [0,3,0,0,0,0|1,0,0]=4 27661 B13R1.656 C=CCOCc1cc(ncc1F)F 34a_100000730792_100015514636 [0,3,0,0,0,0|1,0,0]=4 27662 B13R1.656 C=CCOCc1cc(ncc1F)F 7a_100000730792_100015514636 [0,3,0,0,0,0|1,0,0]=4 27663 B13R1.656 C=CCOCc1nc(ccc1Br)Br 34a_200010065229_100015514636 [0,3,0,0,0,0|1,0,0]=4 27664 B13R1.656 C=CCOCc1nc(ccc1Br)Br 7a_200010065229_100015514636 [0,3,0,0,0,0|1,0,0]=4 27665 B13R1.656 C=CCOCc1nc(ccc1Br)C 34a_100010074375_100015514636 [0,3,0,0,0,0|1,0,0]=4 27666 B13R1.656 C=CCOCc1nc(ccc1Br)Cl 34a_100010244999_100015514636 [0,3,0,0,0,0|1,0,0]=4 27667 B13R1.656 C=CCOCc1nc(ccc1Br)F 34a_100000701195_100015514636 [0,3,0,0,0,0|1,0,0]=4 27668 B13R1.656 C=CCOCc1nc(ccc1Cl)C 34a_200000210373_200009852033 [0,3,0,0,0,0|1,0,0]=4 27669 B13R1.656 C=CCOCc1nc(ccc1Cl)Cl 34a_100000749784_100015514636 [0,3,0,0,0,0|1,0,0]=4 27670 B13R1.656 C=CCOCc1nc(ccc1Cl)Cl 34a_200000210373_100000059412 [0,3,0,0,0,0|1,0,0]=4 27671 B13R1.656 C=CCOCc1nc(ccc1F)Br 34a_200000210373_100010065826 [0,3,0,0,0,0|1,0,0]=4 27672 B13R1.656 C=CCOCc1nc(ccc1F)Cl 34a_200000210373_100009881012 [0,3,0,0,0,0|1,0,0]=4 27673 B13R1.656 C=CCOCc1nc(ccc1O)C 34a_200000210373_100020630696 [0,3,0,0,0,0|1,0,0]=4 27674 B13R1.656 C=CCSCc1cc(ccc1Br)Br 62a_100000210623_100011982794 [0,3,0,0,0,0|0,1,0]=4 27675 B13R1.656 C=CCSCc1cc(ccc1Br)Br 62a_100011982794_100000210623 [0,3,0,0,0,0|0,1,0]=4 27676 B13R1.656 C=CCSCc1cc(ccc1Br)Cl 62a_100000210623_100000733903 [0,3,0,0,0,0|0,1,0]=4 27677 B13R1.656 C=CCSCc1cc(ccc1Br)Cl 62a_100000733903_100000210623 [0,3,0,0,0,0|0,1,0]=4 27678 B13R1.656 C=CCSCc1cc(ccc1Br)F 62a_100000210623_100000736370 [0,3,0,0,0,0|0,1,0]=4 27679 B13R1.656 C=CCSCc1cc(ccc1Br)F 62a_100000736370_100000210623 [0,3,0,0,0,0|0,1,0]=4 27680 B13R1.656 C=CCSCc1cc(ccc1Br)I 62a_100000210623_100012355412 [0,3,0,0,0,0|0,1,0]=4 27681 B13R1.656 C=CCSCc1cc(ccc1Br)I 62a_100012355412_100000210623 [0,3,0,0,0,0|0,1,0]=4 27682 B13R1.656 C=CCSCc1cc(ccc1C)C 62a_100000184699_100000210623 [0,3,0,0,0,0|0,1,0]=4 27683 B13R1.656 C=CCSCc1cc(ccc1C)C 62a_100000210623_100000184699 [0,3,0,0,0,0|0,1,0]=4 27684 B13R1.656 C=CCSCc1cc(ccc1C)Cl 62a_100000210623_100012186985 [0,3,0,0,0,0|0,1,0]=4 27685 B13R1.656 C=CCSCc1cc(ccc1C)Cl 62a_100012186985_100000210623 [0,3,0,0,0,0|0,1,0]=4 27686 B13R1.656 C=CCSCc1cc(ccc1C)F 62a_100000210623_100000709795 [0,3,0,0,0,0|0,1,0]=4 27687 B13R1.656 C=CCSCc1cc(ccc1C)F 62a_100000709795_100000210623 [0,3,0,0,0,0|0,1,0]=4 27688 B13R1.656 C=CCSCc1cc(ccc1Cl)Br 62a_100000210623_100000763347 [0,3,0,0,0,0|0,1,0]=4 27689 B13R1.656 C=CCSCc1cc(ccc1Cl)Br 62a_100000763347_100000210623 [0,3,0,0,0,0|0,1,0]=4 27690 B13R1.656 C=CCSCc1cc(ccc1Cl)C 62a_100000210623_100009871730 [0,3,0,0,0,0|0,1,0]=4 27691 B13R1.656 C=CCSCc1cc(ccc1Cl)C 62a_100009871730_100000210623 [0,3,0,0,0,0|0,1,0]=4 27692 B13R1.656 C=CCSCc1cc(ccc1Cl)Cl 62a_100000210623_100000756322 [0,3,0,0,0,0|0,1,0]=4 27693 B13R1.656 C=CCSCc1cc(ccc1Cl)Cl 62a_100000756322_100000210623 [0,3,0,0,0,0|0,1,0]=4 27694 B13R1.656 C=CCSCc1cc(ccc1Cl)F 62a_100000210623_100000709952 [0,3,0,0,0,0|0,1,0]=4 27695 B13R1.656 C=CCSCc1cc(ccc1Cl)F 62a_100000709952_100000210623 [0,3,0,0,0,0|0,1,0]=4 27696 B13R1.656 C=CCSCc1cc(ccc1Cl)I 62a_100000210623_100010188191 [0,3,0,0,0,0|0,1,0]=4 27697 B13R1.656 C=CCSCc1cc(ccc1Cl)I 62a_100010188191_100000210623 [0,3,0,0,0,0|0,1,0]=4 27698 B13R1.656 C=CCSCc1cc(ccc1F)Br 62a_100000210623_100000736399 [0,3,0,0,0,0|0,1,0]=4 27699 B13R1.656 C=CCSCc1cc(ccc1F)Br 62a_100000736399_100000210623 [0,3,0,0,0,0|0,1,0]=4 27700 B13R1.656 C=CCSCc1cc(ccc1F)C 62a_100000210623_100011260760 [0,3,0,0,0,0|0,1,0]=4 27701 B13R1.656 C=CCSCc1cc(ccc1F)C 62a_100011260760_100000210623 [0,3,0,0,0,0|0,1,0]=4 27702 B13R1.656 C=CCSCc1cc(ccc1F)Cl 62a_100000210623_100000716957 [0,3,0,0,0,0|0,1,0]=4 27703 B13R1.656 C=CCSCc1cc(ccc1F)Cl 62a_100000716957_100000210623 [0,3,0,0,0,0|0,1,0]=4 27704 B13R1.656 C=CCSCc1cc(ccc1F)F 62a_100000210623_100000685659 [0,3,0,0,0,0|0,1,0]=4 27705 B13R1.656 C=CCSCc1cc(ccc1F)F 62a_100000685659_100000210623 [0,3,0,0,0,0|0,1,0]=4 27706 B13R1.656 C=CCSCc1cc(ccc1F)I 62a_100000210623_200010149601 [0,3,0,0,0,0|0,1,0]=4 27707 B13R1.656 C=CCSCc1cc(ccc1F)I 62a_200010149601_100000210623 [0,3,0,0,0,0|0,1,0]=4 27708 B13R1.656 C=CCSCc1cc(ccc1I)Br 62a_100000210623_100012362523 [0,3,0,0,0,0|0,1,0]=4 27709 B13R1.656 C=CCSCc1cc(ccc1I)Br 62a_100012362523_100000210623 [0,3,0,0,0,0|0,1,0]=4 27710 B13R1.656 C=CCSCc1cc(ccc1I)Cl 62a_100000210623_100012348826 [0,3,0,0,0,0|0,1,0]=4 27711 B13R1.656 C=CCSCc1cc(ccc1I)Cl 62a_100012348826_100000210623 [0,3,0,0,0,0|0,1,0]=4 27712 B13R1.656 C=CCSCc1cc(ccc1I)F 62a_100000210623_100010149606 [0,3,0,0,0,0|0,1,0]=4 27713 B13R1.656 C=CCSCc1cc(ccc1I)F 62a_100010149606_100000210623 [0,3,0,0,0,0|0,1,0]=4 27714 B13R1.656 C=CCSCc1cc(ccc1O)F 62a_100000210623_100010161318 [0,3,0,0,0,0|0,1,0]=4 27715 B13R1.656 C=CCSCc1cc(ccc1O)F 62a_100010161318_100000210623 [0,3,0,0,0,0|0,1,0]=4 27716 B13R1.656 CC=CCNc1cc(ccc1Br)Br 34a_100000737762_100000070051 [0,3,0,0,0,0|1,0,0]=4 27717 B13R1.656 CC=CCNc1cc(ccc1Br)C 34a_100000745044_100000070051 [0,3,0,0,0,0|1,0,0]=4 27718 B13R1.656 CC=CCNc1cc(ccc1Br)Cl 34a_100000687073_100000070051 [0,3,0,0,0,0|1,0,0]=4 27719 B13R1.656 CC=CCNc1cc(ccc1Br)F 34a_100000687223_100000070051 [0,3,0,0,0,0|1,0,0]=4 27720 B13R1.656 CC=CCNc1cc(ccc1Br)O 34a_100011999798_100000070051 [0,3,0,0,0,0|1,0,0]=4 27721 B13R1.656 CC=CCNc1cc(ccc1C)Br 34a_100000741167_100000070051 [0,3,0,0,0,0|1,0,0]=4 27722 B13R1.656 CC=CCNc1cc(ccc1C)Br 7a_100000741167_100000070051 [0,3,0,0,0,0|1,0,0]=4 27723 B13R1.656 CC=CCNc1cc(ccc1C)C 2230a_100000185781_100000070051 [0,3,0,0,0,0|1,0,0]=4 27724 B13R1.656 CC=CCNc1cc(ccc1C)C 34a_100000185781_100000070051 [0,3,0,0,0,0|1,0,0]=4 27725 B13R1.656 CC=CCNc1cc(ccc1C)C 7a_100000185781_100000070051 [0,3,0,0,0,0|1,0,0]=4 27726 B13R1.656 CC=CCNc1cc(ccc1C)Cl 34a_100000211374_100000070051 [0,3,0,0,0,0|1,0,0]=4 27727 B13R1.656 CC=CCNc1cc(ccc1C)Cl 7a_100000211374_100000070051 [0,3,0,0,0,0|1,0,0]=4 27728 B13R1.656 CC=CCNc1cc(ccc1C)F 34a_100000211107_100000070051 [0,3,0,0,0,0|1,0,0]=4 27729 B13R1.656 CC=CCNc1cc(ccc1C)F 7a_100000211107_100000070051 [0,3,0,0,0,0|1,0,0]=4 27730 B13R1.656 CC=CCNc1cc(ccc1C)I 7a_100000761890_100000070051 [0,3,0,0,0,0|1,0,0]=4 27731 B13R1.656 CC=CCNc1cc(ccc1C)O 34a_100011216113_100000070051 [0,3,0,0,0,0|1,0,0]=4 27732 B13R1.656 CC=CCNc1cc(ccc1Cl)Br 34a_100000750497_100000070051 [0,3,0,0,0,0|1,0,0]=4 27733 B13R1.656 CC=CCNc1cc(ccc1Cl)C 34a_100011215360_100000070051 [0,3,0,0,0,0|1,0,0]=4 27734 B13R1.656 CC=CCNc1cc(ccc1Cl)Cl 34a_100000184485_100000070051 [0,3,0,0,0,0|1,0,0]=4 27735 B13R1.656 CC=CCNc1cc(ccc1Cl)F 34a_100000751338_100000070051 [0,3,0,0,0,0|1,0,0]=4 27736 B13R1.656 CC=CCNc1cc(ccc1Cl)I 34a_200000761891_100000070051 [0,3,0,0,0,0|1,0,0]=4 27737 B13R1.656 CC=CCNc1cc(ccc1Cl)O 34a_100011934297_100000070051 [0,3,0,0,0,0|1,0,0]=4 27738 B13R1.656 CC=CCNc1cc(ccc1F)Br 34a_100000740924_100000070051 [0,3,0,0,0,0|1,0,0]=4 27739 B13R1.656 CC=CCNc1cc(ccc1F)C 34a_100000211285_100000070051 [0,3,0,0,0,0|1,0,0]=4 27740 B13R1.656 CC=CCNc1cc(ccc1F)Cl 34a_100000212115_100000070051 [0,3,0,0,0,0|1,0,0]=4 27741 B13R1.656 CC=CCNc1cc(ccc1F)F 34a_100000210742_100000070051 [0,3,0,0,0,0|1,0,0]=4 27742 B13R1.656 CC=CCNc1cc(ccc1F)I 34a_100011464823_100000070051 [0,3,0,0,0,0|1,0,0]=4 27743 B13R1.656 CC=CCNc1cc(ccc1F)O 34a_100012017239_100000070051 [0,3,0,0,0,0|1,0,0]=4 27744 B13R1.656 CC=CCNc1cc(ccc1I)Br 34a_100000743836_100000070051 [0,3,0,0,0,0|1,0,0]=4 27745 B13R1.656 CC=CCNc1cc(ccc1I)C 34a_100011216686_100000070051 [0,3,0,0,0,0|1,0,0]=4 27746 B13R1.656 CC=CCNc1cc(ccc1I)Cl 34a_100000761886_100000070051 [0,3,0,0,0,0|1,0,0]=4 27747 B13R1.656 CC=CCNc1cc(ccc1I)F 34a_100011218093_100000070051 [0,3,0,0,0,0|1,0,0]=4 27748 B13R1.656 CC=CCNc1cc(ccc1O)Br 34a_100000752626_100000070051 [0,3,0,0,0,0|1,0,0]=4 27749 B13R1.656 CC=CCNc1cc(ccc1O)C 34a_100011215204_100000070051 [0,3,0,0,0,0|1,0,0]=4 27750 B13R1.656 CC=CCNc1cc(ccc1O)Cl 34a_100000210500_100000070051 [0,3,0,0,0,0|1,0,0]=4 27751 B13R1.656 CC=CCNc1cc(ccc1O)F 34a_100000759472_100000070051 [0,3,0,0,0,0|1,0,0]=4 27752 B13R1.656 CC=CCOc1cc(=O)[nH]cc1Cl 34a_100000069390_100000070051 [0,3,0,0,0,0|1,0,0]=4 27753 B13R1.656 CC=CCOc1cc(ccc1Br)Br 34a_100011220040_100000070051 [0,3,0,0,0,0|0,0,0]=3 27754 B13R1.656 CC=CCOc1cc(ccc1Br)Br 7a_100011220040_100000070051 [0,3,0,0,0,0|0,0,0]=3 27755 B13R1.656 CC=CCOc1cc(ccc1Br)C 34a_100012002257_100000070051 [0,3,0,0,0,0|0,0,0]=3 27756 B13R1.656 CC=CCOc1cc(ccc1Br)C 7a_100012002257_100000070051 [0,3,0,0,0,0|0,0,0]=3 27757 B13R1.656 CC=CCOc1cc(ccc1Br)Cl 34a_100012339455_100000070051 [0,3,0,0,0,0|0,0,0]=3 27758 B13R1.656 CC=CCOc1cc(ccc1Br)Cl 7a_100012339455_100000070051 [0,3,0,0,0,0|0,0,0]=3 27759 B13R1.656 CC=CCOc1cc(ccc1Br)F 34a_100000690578_100000070051 [0,3,0,0,0,0|0,0,0]=3 27760 B13R1.656 CC=CCOc1cc(ccc1Br)F 7a_100000690578_100000070051 [0,3,0,0,0,0|0,0,0]=3 27761 B13R1.656 CC=CCOc1cc(ccc1Br)I 34a_100012356990_100000070051 [0,3,0,0,0,0|0,0,0]=3 27762 B13R1.656 CC=CCOc1cc(ccc1Br)I 7a_100012356990_100000070051 [0,3,0,0,0,0|0,0,0]=3 27763 B13R1.656 CC=CCOc1cc(ccc1C)Br 34a_100000685420_100000070051 [0,3,0,0,0,0|0,0,0]=3 27764 B13R1.656 CC=CCOc1cc(ccc1C)Br 7a_100000685420_100000070051 [0,3,0,0,0,0|0,0,0]=3 27765 B13R1.656 CC=CCOc1cc(ccc1C)C 34a_100000210931_100000070051 [0,3,0,0,0,0|0,0,0]=3 27766 B13R1.656 CC=CCOc1cc(ccc1C)C 7a_100000210931_100000070051 [0,3,0,0,0,0|0,0,0]=3 27767 B13R1.656 CC=CCOc1cc(ccc1C)Cl 34a_100000756515_100000070051 [0,3,0,0,0,0|0,0,0]=3 27768 B13R1.656 CC=CCOc1cc(ccc1C)Cl 7a_100000756515_100000070051 [0,3,0,0,0,0|0,0,0]=3 27769 B13R1.656 CC=CCOc1cc(ccc1C)F 34a_100000690566_100000070051 [0,3,0,0,0,0|0,0,0]=3 27770 B13R1.656 CC=CCOc1cc(ccc1C)F 7a_100000690566_100000070051 [0,3,0,0,0,0|0,0,0]=3 27771 B13R1.656 CC=CCOc1cc(ccc1C)I 7a_100000766334_100000070051 [0,3,0,0,0,0|0,0,0]=3 27772 B13R1.656 CC=CCOc1cc(ccc1C)N 34a_100000759471_100000070051 [0,3,0,0,0,0|0,0,0]=3 27773 B13R1.656 CC=CCOc1cc(ccc1C)N 7a_100000759471_100000070051 [0,3,0,0,0,0|0,0,0]=3 27774 B13R1.656 CC=CCOc1cc(ccc1Cl)Br 34a_100000738945_100000070051 [0,3,0,0,0,0|0,0,0]=3 27775 B13R1.656 CC=CCOc1cc(ccc1Cl)Br 7a_100000738945_100000070051 [0,3,0,0,0,0|0,0,0]=3 27776 B13R1.656 CC=CCOc1cc(ccc1Cl)C 34a_100000211493_100000070051 [0,3,0,0,0,0|0,0,0]=3 27777 B13R1.656 CC=CCOc1cc(ccc1Cl)C 7a_100000211493_100000070051 [0,3,0,0,0,0|0,0,0]=3 27778 B13R1.656 CC=CCOc1cc(ccc1Cl)Cl 34a_100000211422_100000070051 [0,3,0,0,0,0|0,0,0]=3 27779 B13R1.656 CC=CCOc1cc(ccc1Cl)Cl 7a_100000211422_100000070051 [0,3,0,0,0,0|0,0,0]=3 27780 B13R1.656 CC=CCOc1cc(ccc1Cl)F 34a_100000692107_100000070051 [0,3,0,0,0,0|0,0,0]=3 27781 B13R1.656 CC=CCOc1cc(ccc1Cl)F 7a_100000692107_100000070051 [0,3,0,0,0,0|0,0,0]=3 27782 B13R1.656 CC=CCOc1cc(ccc1Cl)I 34a_100011356854_100000070051 [0,3,0,0,0,0|0,0,0]=3 27783 B13R1.656 CC=CCOc1cc(ccc1Cl)I 7a_100011356854_100000070051 [0,3,0,0,0,0|0,0,0]=3 27784 B13R1.656 CC=CCOc1cc(ccc1Cl)N 34a_100011934209_100000070051 [0,3,0,0,0,0|0,0,0]=3 27785 B13R1.656 CC=CCOc1cc(ccc1F)Br 34a_100000686035_100000070051 [0,3,0,0,0,0|0,0,0]=3 27786 B13R1.656 CC=CCOc1cc(ccc1F)Br 7a_100000686035_100000070051 [0,3,0,0,0,0|0,0,0]=3 27787 B13R1.656 CC=CCOc1cc(ccc1F)C 34a_100000759540_100000070051 [0,3,0,0,0,0|0,0,0]=3 27788 B13R1.656 CC=CCOc1cc(ccc1F)C 7a_100000759540_100000070051 [0,3,0,0,0,0|0,0,0]=3 27789 B13R1.656 CC=CCOc1cc(ccc1F)Cl 34a_100000757397_100000070051 [0,3,0,0,0,0|0,0,0]=3 27790 B13R1.656 CC=CCOc1cc(ccc1F)Cl 7a_100000757397_100000070051 [0,3,0,0,0,0|0,0,0]=3 27791 B13R1.656 CC=CCOc1cc(ccc1F)F 34a_100000752141_100000070051 [0,3,0,0,0,0|0,0,0]=3 27792 B13R1.656 CC=CCOc1cc(ccc1F)F 7a_100000752141_100000070051 [0,3,0,0,0,0|0,0,0]=3 27793 B13R1.656 CC=CCOc1cc(ccc1F)I 34a_100009958187_100000070051 [0,3,0,0,0,0|0,0,0]=3 27794 B13R1.656 CC=CCOc1cc(ccc1F)I 7a_100009958187_100000070051 [0,3,0,0,0,0|0,0,0]=3 27795 B13R1.656 CC=CCOc1cc(ccc1F)N 34a_100012017398_100000070051 [0,3,0,0,0,0|0,0,0]=3 27796 B13R1.656 CC=CCOc1cc(ccc1F)N 7a_100012017398_100000070051 [0,3,0,0,0,0|0,0,0]=3 27797 B13R1.656 CC=CCOc1cc(ccc1I)Br 34a_100012344904_100000070051 [0,3,0,0,0,0|0,0,0]=3 27798 B13R1.656 CC=CCOc1cc(ccc1I)Br 7a_100012344904_100000070051 [0,3,0,0,0,0|0,0,0]=3 27799 B13R1.656 CC=CCOc1cc(ccc1I)Cl 34a_100000050036_100000070051 [0,3,0,0,0,0|0,0,0]=3 27800 B13R1.656 CC=CCOc1cc(ccc1I)Cl 7a_100000050036_100000070051 [0,3,0,0,0,0|0,0,0]=3 27801 B13R1.656 CC=CCOc1cc(ccc1I)F 34a_100010084537_100000070051 [0,3,0,0,0,0|0,0,0]=3 27802 B13R1.656 CC=CCOc1cc(ccc1I)F 7a_100010084537_100000070051 [0,3,0,0,0,0|0,0,0]=3 27803 B13R1.656 CC=CCOc1cc(ccc1N)Br 34a_100000739049_100000070051 [0,3,0,0,0,0|0,0,0]=3 27804 B13R1.656 CC=CCOc1cc(ccc1N)Br 7a_100000739049_100000070051 [0,3,0,0,0,0|0,0,0]=3 27805 B13R1.656 CC=CCOc1cc(ccc1N)C 34a_100000211527_100000070051 [0,3,0,0,0,0|0,0,0]=3 27806 B13R1.656 CC=CCOc1cc(ccc1N)C 7a_100000211527_100000070051 [0,3,0,0,0,0|0,0,0]=3 27807 B13R1.656 CC=CCOc1cc(ccc1N)Cl 34a_100000185728_100000070051 [0,3,0,0,0,0|0,0,0]=3 27808 B13R1.656 CC=CCOc1cc(ccc1N)Cl 7a_100000185728_100000070051 [0,3,0,0,0,0|0,0,0]=3 27809 B13R1.656 CC=CCOc1cc(ccc1N)F 34a_100000753323_100000070051 [0,3,0,0,0,0|0,0,0]=3 27810 B13R1.656 CC=CCOc1cc(ccc1N)F 7a_100000753323_100000070051 [0,3,0,0,0,0|0,0,0]=3 27811 B13R1.656 CC=CCOc1cc(ccc1N)I 34a_100000057187_100000070051 [0,3,0,0,0,0|0,0,0]=3 27812 B13R1.656 CC=CCOc1cc(ccc1N)I 7a_100000057187_100000070051 [0,3,0,0,0,0|0,0,0]=3 27813 B13R1.656 CC=CCOc1cc(ccc1N)N 34a_100025717382_100000070051 [0,3,0,0,0,0|0,0,0]=3 27814 B13R1.656 CC=CCOc1cc(cnc1Br)Cl 34a_100000697010_100000070051 [0,3,0,0,0,0|1,0,0]=4 27815 B13R1.656 CC=CCOc1cc(cnc1Br)Cl 7a_100000697010_100000070051 [0,3,0,0,0,0|1,0,0]=4 27816 B13R1.656 CC=CCOc1cc(cnc1Br)F 34a_100009820119_100000070051 [0,3,0,0,0,0|1,0,0]=4 27817 B13R1.656 CC=CCOc1cc(cnc1Br)F 7a_100009820119_100000070051 [0,3,0,0,0,0|1,0,0]=4 27818 B13R1.656 CC=CCOc1cc(cnc1C)Br 34a_100009864810_100000070051 [0,3,0,0,0,0|1,0,0]=4 27819 B13R1.656 CC=CCOc1cc(cnc1C)Br 7a_100009864810_100000070051 [0,3,0,0,0,0|1,0,0]=4 27820 B13R1.656 CC=CCOc1cc(cnc1Cl)Br 34a_100012354860_100000070051 [0,3,0,0,0,0|1,0,0]=4 27821 B13R1.656 CC=CCOc1cc(cnc1Cl)Br 7a_100012354860_100000070051 [0,3,0,0,0,0|1,0,0]=4 27822 B13R1.656 CC=CCOc1cc(cnc1Cl)C 34a_100012000487_100000070051 [0,3,0,0,0,0|1,0,0]=4 27823 B13R1.656 CC=CCOc1cc(cnc1Cl)C 7a_100012000487_100000070051 [0,3,0,0,0,0|1,0,0]=4 27824 B13R1.656 CC=CCOc1cc(cnc1Cl)F 34a_100000079967_100000070051 [0,3,0,0,0,0|1,0,0]=4 27825 B13R1.656 CC=CCOc1cc(cnc1Cl)F 7a_100000079967_100000070051 [0,3,0,0,0,0|1,0,0]=4 27826 B13R1.656 CC=CCOc1cc(cnc1F)Br 34a_100009819871_100000070051 [0,3,0,0,0,0|1,0,0]=4 27827 B13R1.656 CC=CCOc1cc(cnc1F)Br 7a_100009819871_100000070051 [0,3,0,0,0,0|1,0,0]=4 27828 B13R1.656 CC=CCOc1cc(cnc1F)C 34a_100009849810_100000070051 [0,3,0,0,0,0|1,0,0]=4 27829 B13R1.656 CC=CCOc1cc(cnc1F)C 7a_100009849810_100000070051 [0,3,0,0,0,0|1,0,0]=4 27830 B13R1.656 CC=CCOc1cc(cnc1F)Cl 34a_100000094372_100000070051 [0,3,0,0,0,0|1,0,0]=4 27831 B13R1.656 CC=CCOc1cc(cnc1F)Cl 7a_100000094372_100000070051 [0,3,0,0,0,0|1,0,0]=4 27832 B13R1.656 CC=CCOc1cc(cnc1I)Br 34a_100010210634_100000070051 [0,3,0,0,0,0|1,0,0]=4 27833 B13R1.656 CC=CCOc1cc(cnc1I)Br 7a_100010210634_100000070051 [0,3,0,0,0,0|1,0,0]=4 27834 B13R1.656 CC=CCOc1cc(cnc1I)Cl 34a_100010233512_100000070051 [0,3,0,0,0,0|1,0,0]=4 27835 B13R1.656 CC=CCOc1cc(cnc1I)Cl 7a_100010233512_100000070051 [0,3,0,0,0,0|1,0,0]=4 27836 B13R1.656 CC=CCOc1cc(cnc1I)F 34a_100015624800_100000070051 [0,3,0,0,0,0|1,0,0]=4 27837 B13R1.656 CC=CCOc1cc(cnc1I)F 7a_100015624800_100000070051 [0,3,0,0,0,0|1,0,0]=4 27838 B13R1.656 CC=CCOc1cc(cnc1N)Br 34a_100009819042_100000070051 [0,3,0,0,0,0|1,0,0]=4 27839 B13R1.656 CC=CCOc1cc(cnc1N)Br 7a_100009819042_100000070051 [0,3,0,0,0,0|1,0,0]=4 27840 B13R1.656 CC=CCOc1cc(cnc1N)Cl 34a_100000123674_100000070051 [0,3,0,0,0,0|1,0,0]=4 27841 B13R1.656 CC=CCOc1cc(cnc1N)Cl 7a_100000123674_100000070051 [0,3,0,0,0,0|1,0,0]=4 27842 B13R1.656 CC=CCOc1cc(cnc1N)F 34a_100000094369_100000070051 [0,3,0,0,0,0|1,0,0]=4 27843 B13R1.656 CC=CCOc1cc(cnc1N)F 7a_100000094369_100000070051 [0,3,0,0,0,0|1,0,0]=4 27844 B13R1.656 CC=CCOc1cc(ncc1Br)Br 34a_100010235016_100000070051 [0,3,0,0,0,0|1,0,0]=4 27845 B13R1.656 CC=CCOc1cc(ncc1Br)C 34a_100011016184_100000070051 [0,3,0,0,0,0|1,0,0]=4 27846 B13R1.656 CC=CCOc1cc(ncc1Br)Cl 34a_100010173860_100000070051 [0,3,0,0,0,0|1,0,0]=4 27847 B13R1.656 CC=CCOc1cc(ncc1C)Br 34a_100000704368_100000070051 [0,3,0,0,0,0|1,0,0]=4 27848 B13R1.656 CC=CCOc1cc(ncc1C)Br 7a_100000704368_100000070051 [0,3,0,0,0,0|1,0,0]=4 27849 B13R1.656 CC=CCOc1cc(ncc1Cl)Br 34a_100010173861_100000070051 [0,3,0,0,0,0|1,0,0]=4 27850 B13R1.656 CC=CCOc1cc(ncc1F)Br 34a_100009854642_100000070051 [0,3,0,0,0,0|1,0,0]=4 27851 B13R1.656 CC=CCOc1cc(ncc1F)Cl 34a_100009851168_100000070051 [0,3,0,0,0,0|1,0,0]=4 27852 B13R1.656 CC=CCOc1nc(ccc1Br)C 34a_100009817604_100000070051 [0,3,0,0,0,0|1,0,0]=4 27853 B13R1.656 CC=CCOc1nc(ccc1F)Cl 34a_100010729010_100000070051 [0,3,0,0,0,0|1,0,0]=4 27854 B13R1.656 CC=CCOc1nc(ccc1N)C 34a_100000687486_100000070051 [0,3,0,0,0,0|1,0,0]=4 27855 B13R1.656 CC=CCSc1cc(ccc1Br)Br 62a_100000070051_100011483371 [0,3,0,0,0,0|0,1,0]=4 27856 B13R1.656 CC=CCSc1cc(ccc1Br)Br 62a_100011483371_100000070051 [0,3,0,0,0,0|0,1,0]=4 27857 B13R1.656 CC=CCSc1cc(ccc1Br)C 62a_100000070051_100012353751 [0,3,0,0,0,0|0,1,0]=4 27858 B13R1.656 CC=CCSc1cc(ccc1Br)C 62a_100012353751_100000070051 [0,3,0,0,0,0|0,1,0]=4 27859 B13R1.656 CC=CCSc1cc(ccc1Br)Cl 62a_100000070051_100012339723 [0,3,0,0,0,0|0,1,0]=4 27860 B13R1.656 CC=CCSc1cc(ccc1Br)Cl 62a_100012339723_100000070051 [0,3,0,0,0,0|0,1,0]=4 27861 B13R1.656 CC=CCSc1cc(ccc1Br)F 62a_100000070051_100011217576 [0,3,0,0,0,0|0,1,0]=4 27862 B13R1.656 CC=CCSc1cc(ccc1Br)F 62a_100011217576_100000070051 [0,3,0,0,0,0|0,1,0]=4 27863 B13R1.656 CC=CCSc1cc(ccc1Br)N 62a_100000070051_100000750459 [0,3,0,0,0,0|0,1,0]=4 27864 B13R1.656 CC=CCSc1cc(ccc1Br)N 62a_100000750459_100000070051 [0,3,0,0,0,0|0,1,0]=4 27865 B13R1.656 CC=CCSc1cc(ccc1Br)O 62a_100000070051_100012339312 [0,3,0,0,0,0|0,1,0]=4 27866 B13R1.656 CC=CCSc1cc(ccc1Br)O 62a_100012339312_100000070051 [0,3,0,0,0,0|0,1,0]=4 27867 B13R1.656 CC=CCSc1cc(ccc1C)Br 62a_100000070051_100011344865 [0,3,0,0,0,0|0,1,0]=4 27868 B13R1.656 CC=CCSc1cc(ccc1C)Br 62a_100011344865_100000070051 [0,3,0,0,0,0|0,1,0]=4 27869 B13R1.656 CC=CCSc1cc(ccc1C)C 62a_100000070051_100000210833 [0,3,0,0,0,0|0,1,0]=4 27870 B13R1.656 CC=CCSc1cc(ccc1C)C 62a_100000210833_100000070051 [0,3,0,0,0,0|0,1,0]=4 27871 B13R1.656 CC=CCSc1cc(ccc1C)Cl 62a_100000070051_100011263213 [0,3,0,0,0,0|0,1,0]=4 27872 B13R1.656 CC=CCSc1cc(ccc1C)Cl 62a_100011263213_100000070051 [0,3,0,0,0,0|0,1,0]=4 27873 B13R1.656 CC=CCSc1cc(ccc1C)F 62a_100000070051_100011218078 [0,3,0,0,0,0|0,1,0]=4 27874 B13R1.656 CC=CCSc1cc(ccc1C)F 62a_100011218078_100000070051 [0,3,0,0,0,0|0,1,0]=4 27875 B13R1.656 CC=CCSc1cc(ccc1C)N 62a_100000070051_100000736455 [0,3,0,0,0,0|0,1,0]=4 27876 B13R1.656 CC=CCSc1cc(ccc1C)N 62a_100000736455_100000070051 [0,3,0,0,0,0|0,1,0]=4 27877 B13R1.656 CC=CCSc1cc(ccc1C)O 62a_100000070051_100011380479 [0,3,0,0,0,0|0,1,0]=4 27878 B13R1.656 CC=CCSc1cc(ccc1C)O 62a_100011380479_100000070051 [0,3,0,0,0,0|0,1,0]=4 27879 B13R1.656 CC=CCSc1cc(ccc1Cl)Br 62a_100000070051_100011772130 [0,3,0,0,0,0|0,1,0]=4 27880 B13R1.656 CC=CCSc1cc(ccc1Cl)Br 62a_100011772130_100000070051 [0,3,0,0,0,0|0,1,0]=4 27881 B13R1.656 CC=CCSc1cc(ccc1Cl)C 62a_100000070051_100012356289 [0,3,0,0,0,0|0,1,0]=4 27882 B13R1.656 CC=CCSc1cc(ccc1Cl)C 62a_100012356289_100000070051 [0,3,0,0,0,0|0,1,0]=4 27883 B13R1.656 CC=CCSc1cc(ccc1Cl)Cl 62a_100000070051_100000707729 [0,3,0,0,0,0|0,1,0]=4 27884 B13R1.656 CC=CCSc1cc(ccc1Cl)Cl 62a_100000707729_100000070051 [0,3,0,0,0,0|0,1,0]=4 27885 B13R1.656 CC=CCSc1cc(ccc1Cl)F 62a_100000070051_100011217299 [0,3,0,0,0,0|0,1,0]=4 27886 B13R1.656 CC=CCSc1cc(ccc1Cl)F 62a_100011217299_100000070051 [0,3,0,0,0,0|0,1,0]=4 27887 B13R1.656 CC=CCSc1cc(ccc1Cl)N 62a_100000070051_100012360549 [0,3,0,0,0,0|0,1,0]=4 27888 B13R1.656 CC=CCSc1cc(ccc1Cl)N 62a_100012360549_100000070051 [0,3,0,0,0,0|0,1,0]=4 27889 B13R1.656 CC=CCSc1cc(ccc1Cl)O 62a_100000049588_100000070051 [0,3,0,0,0,0|0,1,0]=4 27890 B13R1.656 CC=CCSc1cc(ccc1Cl)O 62a_100000070051_100000049588 [0,3,0,0,0,0|0,1,0]=4 27891 B13R1.656 CC=CCSc1cc(ccc1F)Br 62a_100000070051_100011217312 [0,3,0,0,0,0|0,1,0]=4 27892 B13R1.656 CC=CCSc1cc(ccc1F)Br 62a_100011217312_100000070051 [0,3,0,0,0,0|0,1,0]=4 27893 B13R1.656 CC=CCSc1cc(ccc1F)C 62a_100000070051_100000736223 [0,3,0,0,0,0|0,1,0]=4 27894 B13R1.656 CC=CCSc1cc(ccc1F)C 62a_100000736223_100000070051 [0,3,0,0,0,0|0,1,0]=4 27895 B13R1.656 CC=CCSc1cc(ccc1F)Cl 62a_100000070051_100011218116 [0,3,0,0,0,0|0,1,0]=4 27896 B13R1.656 CC=CCSc1cc(ccc1F)Cl 62a_100011218116_100000070051 [0,3,0,0,0,0|0,1,0]=4 27897 B13R1.656 CC=CCSc1cc(ccc1F)F 62a_100000070051_100011219198 [0,3,0,0,0,0|0,1,0]=4 27898 B13R1.656 CC=CCSc1cc(ccc1F)F 62a_100011219198_100000070051 [0,3,0,0,0,0|0,1,0]=4 27899 B13R1.656 CC=CCSc1cc(ccc1F)N 62a_100000070051_100000760356 [0,3,0,0,0,0|0,1,0]=4 27900 B13R1.656 CC=CCSc1cc(ccc1F)N 62a_100000760356_100000070051 [0,3,0,0,0,0|0,1,0]=4 27901 B13R1.656 CC=CCSc1cc(ccc1F)O 62a_100000070051_100000693481 [0,3,0,0,0,0|0,1,0]=4 27902 B13R1.656 CC=CCSc1cc(ccc1F)O 62a_100000693481_100000070051 [0,3,0,0,0,0|0,1,0]=4 27903 B13R1.656 CC=CCSc1cc(ccc1N)Br 62a_100000070051_100000187925 [0,3,0,0,0,0|0,1,0]=4 27904 B13R1.656 CC=CCSc1cc(ccc1N)Br 62a_100000187925_100000070051 [0,3,0,0,0,0|0,1,0]=4 27905 B13R1.656 CC=CCSc1cc(ccc1N)C 62a_100000070051_100011356834 [0,3,0,0,0,0|0,1,0]=4 27906 B13R1.656 CC=CCSc1cc(ccc1N)C 62a_100011356834_100000070051 [0,3,0,0,0,0|0,1,0]=4 27907 B13R1.656 CC=CCSc1cc(ccc1N)Cl 62a_100000070051_100000761889 [0,3,0,0,0,0|0,1,0]=4 27908 B13R1.656 CC=CCSc1cc(ccc1N)Cl 62a_100000761889_100000070051 [0,3,0,0,0,0|0,1,0]=4 27909 B13R1.656 CC=CCSc1cc(ccc1N)F 62a_100000070051_100000760547 [0,3,0,0,0,0|0,1,0]=4 27910 B13R1.656 CC=CCSc1cc(ccc1N)F 62a_100000760547_100000070051 [0,3,0,0,0,0|0,1,0]=4 27911 B13R1.656 CC=CCSc1cc(ccc1N)N 62a_100000070051_100011534242 [0,3,0,0,0,0|0,1,0]=4 27912 B13R1.656 CC=CCSc1cc(ccc1N)N 62a_100011534242_100000070051 [0,3,0,0,0,0|0,1,0]=4 27913 B13R1.656 CC=CCSc1cc(ccc1N)O 62a_100000070051_100012001276 [0,3,0,0,0,0|0,1,0]=4 27914 B13R1.656 CC=CCSc1cc(ccc1N)O 62a_100012001276_100000070051 [0,3,0,0,0,0|0,1,0]=4 27915 B13R1.656 CC=CCSc1cc(ccc1O)Br 62a_100000070051_100012355227 [0,3,0,0,0,0|0,1,0]=4 27916 B13R1.656 CC=CCSc1cc(ccc1O)Br 62a_100012355227_100000070051 [0,3,0,0,0,0|0,1,0]=4 27917 B13R1.656 CC=CCSc1cc(ccc1O)C 62a_100000070051_100000765521 [0,3,0,0,0,0|0,1,0]=4 27918 B13R1.656 CC=CCSc1cc(ccc1O)C 62a_100000765521_100000070051 [0,3,0,0,0,0|0,1,0]=4 27919 B13R1.656 CC=CCSc1cc(ccc1O)Cl 62a_100000070051_100011356953 [0,3,0,0,0,0|0,1,0]=4 27920 B13R1.656 CC=CCSc1cc(ccc1O)Cl 62a_100011356953_100000070051 [0,3,0,0,0,0|0,1,0]=4 27921 B13R1.656 CC=CCSc1cc(ccc1O)F 62a_100000070051_100000211999 [0,3,0,0,0,0|0,1,0]=4 27922 B13R1.656 CC=CCSc1cc(ccc1O)F 62a_100000211999_100000070051 [0,3,0,0,0,0|0,1,0]=4 27923 B13R1.656 CC=CCSc1cc(ccc1O)N 62a_100000070051_100011534360 [0,3,0,0,0,0|0,1,0]=4 27924 B13R1.656 CC=CCSc1cc(ccc1O)N 62a_100011534360_100000070051 [0,3,0,0,0,0|0,1,0]=4 27925 B13R1.656 CC=CCSc1cc(ccc1O)O 62a_100000070051_100009813629 [0,3,0,0,0,0|0,1,0]=4 27926 B13R1.656 Cc1ccc(c(c1)COCC=O)Br 34a_100012361352_200009817547 [0,3,0,0,0,0|1,0,0]=4 27927 B13R1.656 Cc1ccc(c(c1)COCC=O)Br 7a_100012361352_200015260668 [0,3,0,0,0,0|1,0,0]=4 27928 B13R1.656 Cc1ccc(c(c1)COCC=O)C 34a_200011215349_200009817547 [0,3,0,0,0,0|1,0,0]=4 27929 B13R1.656 Cc1ccc(c(c1)COCC=O)C 7a_200011215349_200015260668 [0,3,0,0,0,0|1,0,0]=4 27930 B13R1.656 Cc1ccc(c(c1)COCC=O)Cl 34a_100009878994_200009817547 [0,3,0,0,0,0|1,0,0]=4 27931 B13R1.656 Cc1ccc(c(c1)COCC=O)Cl 7a_100009878994_200015260668 [0,3,0,0,0,0|1,0,0]=4 27932 B13R1.656 Cc1ccc(c(c1)COCC=O)F 34a_100011692775_200009817547 [0,3,0,0,0,0|1,0,0]=4 27933 B13R1.656 Cc1ccc(c(c1)COCC=O)F 7a_100011692775_200015260668 [0,3,0,0,0,0|1,0,0]=4 27934 B13R1.656 Cc1ccc(c(c1)COCC=O)N 34a_100011215565_200009817547 [0,3,0,0,0,0|1,0,0]=4 27935 B13R1.656 Cc1ccc(c(c1)COCC=O)N 7a_100011215565_200015260668 [0,3,0,0,0,0|1,0,0]=4 27936 B13R1.656 Cc1ccc(cc1COCC=O)Br 34a_100000700630_200009817547 [0,3,0,0,0,0|1,0,0]=4 27937 B13R1.656 Cc1ccc(cc1COCC=O)Br 7a_100000700630_200015260668 [0,3,0,0,0,0|1,0,0]=4 27938 B13R1.656 Cc1ccc(cc1COCC=O)Cl 34a_100012002407_200009817547 [0,3,0,0,0,0|1,0,0]=4 27939 B13R1.656 Cc1ccc(cc1COCC=O)Cl 7a_100012002407_200015260668 [0,3,0,0,0,0|1,0,0]=4 27940 B13R1.656 Cc1ccc(cc1COCC=O)F 34a_100011219218_200009817547 [0,3,0,0,0,0|1,0,0]=4 27941 B13R1.656 Cc1ccc(cc1COCC=O)F 7a_100011219218_200015260668 [0,3,0,0,0,0|1,0,0]=4 27942 B13R1.656 Cc1ccc(cc1COCC=O)I 34a_100010150140_200009817547 [0,3,0,0,0,0|1,0,0]=4 27943 B13R1.656 Cc1ccc(cc1COCC=O)I 7a_100010150140_200015260668 [0,3,0,0,0,0|1,0,0]=4 27944 B13R1.656 Nc1ccc(c(c1)COCC=O)Br 34a_100012347228_200009817547 [0,3,0,0,0,0|1,0,0]=4 27945 B13R1.656 Nc1ccc(c(c1)COCC=O)Cl 34a_100011273577_200009817547 [0,3,0,0,0,0|1,0,0]=4 27946 B13R1.656 Nc1ccc(c(c1)COCC=O)F 34a_100011218011_200009817547 [0,3,0,0,0,0|1,0,0]=4 27947 B13R1.656 Nc1ccc(cc1COCC=O)Br 34a_100012353972_200009817547 [0,3,0,0,0,0|1,0,0]=4 27948 B13R1.656 Nc1ccc(cc1COCC=O)Br 7a_100012353972_200015260668 [0,3,0,0,0,0|1,0,0]=4 27949 B13R1.656 Nc1ccc(cc1COCC=O)Cl 34a_100011214999_200009817547 [0,3,0,0,0,0|1,0,0]=4 27950 B13R1.656 Nc1ccc(cc1COCC=O)Cl 7a_100011214999_200015260668 [0,3,0,0,0,0|1,0,0]=4 27951 B13R1.656 Nc1ccc(cc1COCC=O)F 34a_100011296978_200009817547 [0,3,0,0,0,0|1,0,0]=4 27952 B13R1.656 Nc1ccc(cc1COCC=O)F 7a_100011296978_200015260668 [0,3,0,0,0,0|1,0,0]=4 27953 B13R1.656 O=CCOCc1cc(ccc1Br)Br 34a_100011266457_200009817547 [0,3,0,0,0,0|1,0,0]=4 27954 B13R1.656 O=CCOCc1cc(ccc1Br)Br 7a_100011266457_200015260668 [0,3,0,0,0,0|1,0,0]=4 27955 B13R1.656 O=CCOCc1cc(ccc1Br)Cl 34a_100012355668_200009817547 [0,3,0,0,0,0|1,0,0]=4 27956 B13R1.656 O=CCOCc1cc(ccc1Br)Cl 7a_100012355668_200015260668 [0,3,0,0,0,0|1,0,0]=4 27957 B13R1.656 O=CCOCc1cc(ccc1Br)F 34a_100011217561_200009817547 [0,3,0,0,0,0|1,0,0]=4 27958 B13R1.656 O=CCOCc1cc(ccc1Br)F 7a_100011217561_200015260668 [0,3,0,0,0,0|1,0,0]=4 27959 B13R1.656 O=CCOCc1cc(ccc1Br)I 7a_100012359683_200015260668 [0,3,0,0,0,0|1,0,0]=4 27960 B13R1.656 O=CCOCc1cc(ccc1Cl)Br 34a_100011215897_200009817547 [0,3,0,0,0,0|1,0,0]=4 27961 B13R1.656 O=CCOCc1cc(ccc1Cl)Br 7a_100011215897_200015260668 [0,3,0,0,0,0|1,0,0]=4 27962 B13R1.656 O=CCOCc1cc(ccc1Cl)Cl 34a_100000698905_200009817547 [0,3,0,0,0,0|1,0,0]=4 27963 B13R1.656 O=CCOCc1cc(ccc1Cl)Cl 7a_100000698905_200015260668 [0,3,0,0,0,0|1,0,0]=4 27964 B13R1.656 O=CCOCc1cc(ccc1Cl)F 34a_100011218361_200009817547 [0,3,0,0,0,0|1,0,0]=4 27965 B13R1.656 O=CCOCc1cc(ccc1Cl)F 7a_100011218361_200015260668 [0,3,0,0,0,0|1,0,0]=4 27966 B13R1.656 O=CCOCc1cc(ccc1Cl)I 34a_100010128486_200009817547 [0,3,0,0,0,0|1,0,0]=4 27967 B13R1.656 O=CCOCc1cc(ccc1Cl)I 7a_100010128486_200015260668 [0,3,0,0,0,0|1,0,0]=4 27968 B13R1.656 O=CCOCc1cc(ccc1F)Br 34a_100000246282_200009817547 [0,3,0,0,0,0|1,0,0]=4 27969 B13R1.656 O=CCOCc1cc(ccc1F)Br 7a_100000246282_200015260668 [0,3,0,0,0,0|1,0,0]=4 27970 B13R1.656 O=CCOCc1cc(ccc1F)Cl 34a_100011217248_200009817547 [0,3,0,0,0,0|1,0,0]=4 27971 B13R1.656 O=CCOCc1cc(ccc1F)Cl 7a_100011217248_200015260668 [0,3,0,0,0,0|1,0,0]=4 27972 B13R1.656 O=CCOCc1cc(ccc1F)F 34a_100011217725_200009817547 [0,3,0,0,0,0|1,0,0]=4 27973 B13R1.656 O=CCOCc1cc(ccc1F)F 7a_100011217725_200015260668 [0,3,0,0,0,0|1,0,0]=4 27974 B13R1.656 O=CCOCc1cc(ccc1F)I 34a_100000049604_200009817547 [0,3,0,0,0,0|1,0,0]=4 27975 B13R1.656 O=CCOCc1cc(ccc1F)I 7a_100000049604_200015260668 [0,3,0,0,0,0|1,0,0]=4 27976 B13R1.656 O=CCOCc1cc(ccc1I)Br 34a_100011356890_200009817547 [0,3,0,0,0,0|1,0,0]=4 27977 B13R1.656 O=CCOCc1cc(ccc1I)Br 7a_100011356890_200015260668 [0,3,0,0,0,0|1,0,0]=4 27978 B13R1.656 O=CCOCc1cc(ccc1I)F 34a_100010255287_200009817547 [0,3,0,0,0,0|1,0,0]=4 27979 B13R1.656 O=CCOCc1cc(ccc1I)F 7a_100010255287_200015260668 [0,3,0,0,0,0|1,0,0]=4 27980 B13R1.8919 C/C=C/CNc1c(cccc1Br)Br 34a_100000690995_100102629194 [0,3,0,0,0,0|1,0,0]=4 27981 B13R1.8919 C/C=C/CNc1c(cccc1Br)C 34a_100011834072_100102629194 [0,3,0,0,0,0|1,0,0]=4 27982 B13R1.8919 C/C=C/CNc1c(cccc1Br)Cl 34a_100102946385_100102629194 [0,3,0,0,0,0|1,0,0]=4 27983 B13R1.8919 C/C=C/CNc1c(cccc1Br)F 34a_100000684712_100102629194 [0,3,0,0,0,0|1,0,0]=4 27984 B13R1.8919 C/C=C/CNc1c(cccc1Br)O 34a_100011934926_100102629194 [0,3,0,0,0,0|1,0,0]=4 27985 B13R1.8919 C/C=C/CNc1c(cccc1C)C 34a_100000185769_100102629194 [0,3,0,0,0,0|1,0,0]=4 27986 B13R1.8919 C/C=C/CNc1c(cccc1Cl)C 34a_100000756524_100102629194 [0,3,0,0,0,0|1,0,0]=4 27987 B13R1.8919 C/C=C/CNc1c(cccc1Cl)Cl 34a_100000210028_100102629194 [0,3,0,0,0,0|1,0,0]=4 27988 B13R1.8919 C/C=C/CNc1c(cccc1Cl)F 34a_100000760031_100102629194 [0,3,0,0,0,0|1,0,0]=4 27989 B13R1.8919 C/C=C/CNc1c(cccc1Cl)O 34a_100012022510_100102629194 [0,3,0,0,0,0|1,0,0]=4 27990 B13R1.8919 C/C=C/CNc1c(cccc1F)C 34a_100000766463_100102629194 [0,3,0,0,0,0|1,0,0]=4 27991 B13R1.8919 C/C=C/CNc1c(cccc1F)F 34a_100000210704_100102629194 [0,3,0,0,0,0|1,0,0]=4 27992 B13R1.8919 C/C=C/CNc1c(cccc1F)O 34a_100020591140_100102629194 [0,3,0,0,0,0|1,0,0]=4 27993 B13R1.8919 C/C=C/CNc1c(cccc1I)F 34a_100000042321_100102629194 [0,3,0,0,0,0|1,0,0]=4 27994 B13R1.8919 C/C=C/CNc1c(cccc1O)C 34a_100000743429_100102629194 [0,3,0,0,0,0|1,0,0]=4 27995 B13R1.8919 C/C=C/COc1c(cccc1Br)Br 34a_100000736428_100102629194 [0,3,0,0,0,0|0,0,0]=3 27996 B13R1.8919 C/C=C/COc1c(cccc1Br)Br 7a_100000736428_100102629194 [0,3,0,0,0,0|0,0,0]=3 27997 B13R1.8919 C/C=C/COc1c(cccc1Br)C 34a_100009817157_100102629194 [0,3,0,0,0,0|0,0,0]=3 27998 B13R1.8919 C/C=C/COc1c(cccc1Br)C 7a_100009817157_100102629194 [0,3,0,0,0,0|0,0,0]=3 27999 B13R1.8919 C/C=C/COc1c(cccc1Br)Cl 34a_100010214474_100102629194 [0,3,0,0,0,0|0,0,0]=3 28000 B13R1.8919 C/C=C/COc1c(cccc1Br)Cl 7a_100010214474_100102629194 [0,3,0,0,0,0|0,0,0]=3 28001 B13R1.8919 C/C=C/COc1c(cccc1Br)F 34a_100009813666_100102629194 [0,3,0,0,0,0|0,0,0]=3 28002 B13R1.8919 C/C=C/COc1c(cccc1Br)F 7a_100009813666_100102629194 [0,3,0,0,0,0|0,0,0]=3 28003 B13R1.8919 C/C=C/COc1c(cccc1Br)N 34a_100011934915_100102629194 [0,3,0,0,0,0|0,0,0]=3 28004 B13R1.8919 C/C=C/COc1c(cccc1C)C 34a_100000210341_100102629194 [0,3,0,0,0,0|0,0,0]=3 28005 B13R1.8919 C/C=C/COc1c(cccc1C)C 7a_100000210341_100102629194 [0,3,0,0,0,0|0,0,0]=3 28006 B13R1.8919 C/C=C/COc1c(cccc1Cl)C 34a_100000033731_100102629194 [0,3,0,0,0,0|0,0,0]=3 28007 B13R1.8919 C/C=C/COc1c(cccc1Cl)C 7a_100000033731_100102629194 [0,3,0,0,0,0|0,0,0]=3 28008 B13R1.8919 C/C=C/COc1c(cccc1Cl)Cl 34a_100000211709_100102629194 [0,3,0,0,0,0|0,0,0]=3 28009 B13R1.8919 C/C=C/COc1c(cccc1Cl)Cl 7a_100000211709_100102629194 [0,3,0,0,0,0|0,0,0]=3 28010 B13R1.8919 C/C=C/COc1c(cccc1Cl)F 34a_100000694953_100102629194 [0,3,0,0,0,0|0,0,0]=3 28011 B13R1.8919 C/C=C/COc1c(cccc1Cl)F 7a_100000694953_100102629194 [0,3,0,0,0,0|0,0,0]=3 28012 B13R1.8919 C/C=C/COc1c(cccc1Cl)N 34a_100000754742_100102629194 [0,3,0,0,0,0|0,0,0]=3 28013 B13R1.8919 C/C=C/COc1c(cccc1F)C 34a_100011659162_100102629194 [0,3,0,0,0,0|0,0,0]=3 28014 B13R1.8919 C/C=C/COc1c(cccc1F)C 7a_100011659162_100102629194 [0,3,0,0,0,0|0,0,0]=3 28015 B13R1.8919 C/C=C/COc1c(cccc1F)F 34a_100000230165_100102629194 [0,3,0,0,0,0|0,0,0]=3 28016 B13R1.8919 C/C=C/COc1c(cccc1F)F 7a_100000230165_100102629194 [0,3,0,0,0,0|0,0,0]=3 28017 B13R1.8919 C/C=C/COc1c(cccc1F)N 34a_100011934987_100102629194 [0,3,0,0,0,0|0,0,0]=3 28018 B13R1.8919 C/C=C/COc1c(cccc1I)Br 34a_100010084509_100102629194 [0,3,0,0,0,0|0,0,0]=3 28019 B13R1.8919 C/C=C/COc1c(cccc1I)Br 7a_100010084509_100102629194 [0,3,0,0,0,0|0,0,0]=3 28020 B13R1.8919 C/C=C/COc1c(cccc1I)Cl 34a_100010202889_100102629194 [0,3,0,0,0,0|0,0,0]=3 28021 B13R1.8919 C/C=C/COc1c(cccc1I)Cl 7a_100010202889_100102629194 [0,3,0,0,0,0|0,0,0]=3 28022 B13R1.8919 C/C=C/COc1c(cccc1I)F 34a_100010186298_100102629194 [0,3,0,0,0,0|0,0,0]=3 28023 B13R1.8919 C/C=C/COc1c(cccc1I)F 7a_100010186298_100102629194 [0,3,0,0,0,0|0,0,0]=3 28024 B13R1.8919 C/C=C/COc1c(cccc1I)N 34a_100010084371_100102629194 [0,3,0,0,0,0|0,0,0]=3 28025 B13R1.8919 C/C=C/COc1c(cccc1N)C 34a_100000756359_100102629194 [0,3,0,0,0,0|0,0,0]=3 28026 B13R1.8919 C/C=C/COc1c(cccc1N)C 7a_100000756359_100102629194 [0,3,0,0,0,0|0,0,0]=3 28027 B13R1.8919 C/C=C/COc1c(cccc1N)N 34a_200016994477_100102629194 [0,3,0,0,0,0|0,0,0]=3 28028 B13R1.8919 C/C=C/COc1c(ccnc1C)C 34a_100011934651_100102629194 [0,3,0,0,0,0|1,0,0]=4 28029 B13R1.8919 C/C=C/COc1c(ccnc1C)C 7a_100011934651_100102629194 [0,3,0,0,0,0|1,0,0]=4 28030 B13R1.8919 C/C=C/COc1c(ccnc1Cl)C 34a_100000696282_100102629194 [0,3,0,0,0,0|1,0,0]=4 28031 B13R1.8919 C/C=C/COc1c(ccnc1Cl)C 7a_100000696282_100102629194 [0,3,0,0,0,0|1,0,0]=4 28032 B13R1.8919 C/C=C/COc1c(ccnc1Cl)Cl 34a_100000118450_100102629194 [0,3,0,0,0,0|1,0,0]=4 28033 B13R1.8919 C/C=C/COc1c(ccnc1Cl)Cl 7a_100000118450_100102629194 [0,3,0,0,0,0|1,0,0]=4 28034 B13R1.8919 C/C=C/COc1c(ccnc1Cl)F 34a_100009867227_100102629194 [0,3,0,0,0,0|1,0,0]=4 28035 B13R1.8919 C/C=C/COc1c(ccnc1Cl)F 7a_100009867227_100102629194 [0,3,0,0,0,0|1,0,0]=4 28036 B13R1.8919 C/C=C/COc1c(ccnc1Cl)I 34a_100010067911_100102629194 [0,3,0,0,0,0|1,0,0]=4 28037 B13R1.8919 C/C=C/COc1c(ccnc1Cl)I 7a_100010067911_100102629194 [0,3,0,0,0,0|1,0,0]=4 28038 B13R1.8919 C/C=C/COc1c(ccnc1Cl)N 34a_100009844647_100102629194 [0,3,0,0,0,0|1,0,0]=4 28039 B13R1.8919 C/C=C/COc1c(ccnc1Cl)N 7a_100009844647_100102629194 [0,3,0,0,0,0|1,0,0]=4 28040 B13R1.8919 C/C=C/COc1c(occc1=O)C 34a_100000031901_100102629194 [0,3,0,0,0,0|1,0,0]=4 28041 B13R1.8919 C/C=C/CSc1c(cccc1Br)Br 62a_100009994525_100102629194 [0,3,0,0,0,0|0,1,0]=4 28042 B13R1.8919 C/C=C/CSc1c(cccc1Br)Br 62a_100102629194_100009994525 [0,3,0,0,0,0|0,1,0]=4 28043 B13R1.8919 C/C=C/CSc1c(cccc1Br)C 62a_100010141302_100102629194 [0,3,0,0,0,0|0,1,0]=4 28044 B13R1.8919 C/C=C/CSc1c(cccc1Br)C 62a_100102629194_100010141302 [0,3,0,0,0,0|0,1,0]=4 28045 B13R1.8919 C/C=C/CSc1c(cccc1Br)Cl 62a_100010214488_100102629194 [0,3,0,0,0,0|0,1,0]=4 28046 B13R1.8919 C/C=C/CSc1c(cccc1Br)Cl 62a_100102629194_100010214488 [0,3,0,0,0,0|0,1,0]=4 28047 B13R1.8919 C/C=C/CSc1c(cccc1Br)F 62a_100011219512_100102629194 [0,3,0,0,0,0|0,1,0]=4 28048 B13R1.8919 C/C=C/CSc1c(cccc1Br)F 62a_100102629194_100011219512 [0,3,0,0,0,0|0,1,0]=4 28049 B13R1.8919 C/C=C/CSc1c(cccc1Br)N 62a_100020590159_100102629194 [0,3,0,0,0,0|0,1,0]=4 28050 B13R1.8919 C/C=C/CSc1c(cccc1Br)N 62a_100102629194_100020590159 [0,3,0,0,0,0|0,1,0]=4 28051 B13R1.8919 C/C=C/CSc1c(cccc1Br)O 62a_100010187912_100102629194 [0,3,0,0,0,0|0,1,0]=4 28052 B13R1.8919 C/C=C/CSc1c(cccc1Br)O 62a_100102629194_100010187912 [0,3,0,0,0,0|0,1,0]=4 28053 B13R1.8919 C/C=C/CSc1c(cccc1C)C 62a_100000033847_100102629194 [0,3,0,0,0,0|0,1,0]=4 28054 B13R1.8919 C/C=C/CSc1c(cccc1C)C 62a_100102629194_100000033847 [0,3,0,0,0,0|0,1,0]=4 28055 B13R1.8919 C/C=C/CSc1c(cccc1Cl)C 62a_100000043165_100102629194 [0,3,0,0,0,0|0,1,0]=4 28056 B13R1.8919 C/C=C/CSc1c(cccc1Cl)C 62a_100102629194_100000043165 [0,3,0,0,0,0|0,1,0]=4 28057 B13R1.8919 C/C=C/CSc1c(cccc1Cl)Cl 62a_100000034237_100102629194 [0,3,0,0,0,0|0,1,0]=4 28058 B13R1.8919 C/C=C/CSc1c(cccc1Cl)Cl 62a_100102629194_100000034237 [0,3,0,0,0,0|0,1,0]=4 28059 B13R1.8919 C/C=C/CSc1c(cccc1Cl)F 62a_100000050007_100102629194 [0,3,0,0,0,0|0,1,0]=4 28060 B13R1.8919 C/C=C/CSc1c(cccc1Cl)F 62a_100102629194_100000050007 [0,3,0,0,0,0|0,1,0]=4 28061 B13R1.8919 C/C=C/CSc1c(cccc1Cl)N 62a_100000049713_100102629194 [0,3,0,0,0,0|0,1,0]=4 28062 B13R1.8919 C/C=C/CSc1c(cccc1Cl)N 62a_100102629194_100000049713 [0,3,0,0,0,0|0,1,0]=4 28063 B13R1.8919 C/C=C/CSc1c(cccc1Cl)O 62a_100102629194_100000050174 [0,3,0,0,0,0|0,1,0]=4 28064 B13R1.8919 C/C=C/CSc1c(cccc1F)C 62a_100011218421_100102629194 [0,3,0,0,0,0|0,1,0]=4 28065 B13R1.8919 C/C=C/CSc1c(cccc1F)C 62a_100102629194_100011218421 [0,3,0,0,0,0|0,1,0]=4 28066 B13R1.8919 C/C=C/CSc1c(cccc1F)F 62a_100000693133_100102629194 [0,3,0,0,0,0|0,1,0]=4 28067 B13R1.8919 C/C=C/CSc1c(cccc1F)F 62a_100102629194_100000693133 [0,3,0,0,0,0|0,1,0]=4 28068 B13R1.8919 C/C=C/CSc1c(cccc1F)N 62a_100000690935_100102629194 [0,3,0,0,0,0|0,1,0]=4 28069 B13R1.8919 C/C=C/CSc1c(cccc1F)N 62a_100102629194_100000690935 [0,3,0,0,0,0|0,1,0]=4 28070 B13R1.8919 C/C=C/CSc1c(cccc1F)O 62a_100009820682_100102629194 [0,3,0,0,0,0|0,1,0]=4 28071 B13R1.8919 C/C=C/CSc1c(cccc1F)O 62a_100102629194_100009820682 [0,3,0,0,0,0|0,1,0]=4 28072 B13R1.8919 C/C=C/CSc1c(cccc1N)C 62a_100000684715_100102629194 [0,3,0,0,0,0|0,1,0]=4 28073 B13R1.8919 C/C=C/CSc1c(cccc1N)C 62a_100102629194_100000684715 [0,3,0,0,0,0|0,1,0]=4 28074 B13R1.8919 C/C=C/CSc1c(cccc1O)C 62a_100000686692_100102629194 [0,3,0,0,0,0|0,1,0]=4 28075 B13R1.8919 C/C=C/CSc1c(cccc1O)C 62a_100102629194_100000686692 [0,3,0,0,0,0|0,1,0]=4 28076 B13R1.8919 C/C=C/CSc1c(cccc1O)N 62a_100012183704_100102629194 [0,3,0,0,0,0|0,1,0]=4 28077 B13R1.8919 C/C=C/CSc1c(cccc1O)N 62a_100102629194_100012183704 [0,3,0,0,0,0|0,1,0]=4 28078 B13R1.8919 C/C=C/CSc1c(cccc1O)O 62a_100102629194_100010205330 [0,3,0,0,0,0|0,1,0]=4 28079 B13R1.8919 C=CCCNc1c(cccc1Br)Br 34a_100000690995_100000754431 [0,3,0,0,0,0|1,0,0]=4 28080 B13R1.8919 C=CCCNc1c(cccc1Br)C 34a_100011834072_100000754431 [0,3,0,0,0,0|1,0,0]=4 28081 B13R1.8919 C=CCCNc1c(cccc1Br)Cl 34a_100102946385_100000754431 [0,3,0,0,0,0|1,0,0]=4 28082 B13R1.8919 C=CCCNc1c(cccc1Br)F 34a_100000684712_100000754431 [0,3,0,0,0,0|1,0,0]=4 28083 B13R1.8919 C=CCCNc1c(cccc1Br)O 34a_100011934926_100000754431 [0,3,0,0,0,0|1,0,0]=4 28084 B13R1.8919 C=CCCNc1c(cccc1C)C 34a_100000185769_100000754431 [0,3,0,0,0,0|1,0,0]=4 28085 B13R1.8919 C=CCCNc1c(cccc1Cl)C 34a_100000756524_100000754431 [0,3,0,0,0,0|1,0,0]=4 28086 B13R1.8919 C=CCCNc1c(cccc1Cl)Cl 34a_100000210028_100000754431 [0,3,0,0,0,0|1,0,0]=4 28087 B13R1.8919 C=CCCNc1c(cccc1Cl)F 34a_100000760031_100000754431 [0,3,0,0,0,0|1,0,0]=4 28088 B13R1.8919 C=CCCNc1c(cccc1Cl)O 34a_100012022510_100000754431 [0,3,0,0,0,0|1,0,0]=4 28089 B13R1.8919 C=CCCNc1c(cccc1F)C 34a_100000766463_100000754431 [0,3,0,0,0,0|1,0,0]=4 28090 B13R1.8919 C=CCCNc1c(cccc1F)F 2230a_100000210704_100000754431 [0,3,0,0,0,0|1,0,0]=4 28091 B13R1.8919 C=CCCNc1c(cccc1F)F 34a_100000210704_100000754431 [0,3,0,0,0,0|1,0,0]=4 28092 B13R1.8919 C=CCCNc1c(cccc1F)O 34a_100020591140_100000754431 [0,3,0,0,0,0|1,0,0]=4 28093 B13R1.8919 C=CCCNc1c(cccc1I)F 34a_100000042321_100000754431 [0,3,0,0,0,0|1,0,0]=4 28094 B13R1.8919 C=CCCNc1c(cccc1O)C 34a_100000743429_100000754431 [0,3,0,0,0,0|1,0,0]=4 28095 B13R1.8919 C=CCCOc1c(cccc1Br)Br 34a_100000736428_100000754431 [0,3,0,0,0,0|0,0,0]=3 28096 B13R1.8919 C=CCCOc1c(cccc1Br)Br 7a_100000736428_100000754431 [0,3,0,0,0,0|0,0,0]=3 28097 B13R1.8919 C=CCCOc1c(cccc1Br)C 34a_100009817157_100000754431 [0,3,0,0,0,0|0,0,0]=3 28098 B13R1.8919 C=CCCOc1c(cccc1Br)C 7a_100009817157_100000754431 [0,3,0,0,0,0|0,0,0]=3 28099 B13R1.8919 C=CCCOc1c(cccc1Br)Cl 34a_100010214474_100000754431 [0,3,0,0,0,0|0,0,0]=3 28100 B13R1.8919 C=CCCOc1c(cccc1Br)Cl 7a_100010214474_100000754431 [0,3,0,0,0,0|0,0,0]=3 28101 B13R1.8919 C=CCCOc1c(cccc1Br)F 34a_100009813666_100000754431 [0,3,0,0,0,0|0,0,0]=3 28102 B13R1.8919 C=CCCOc1c(cccc1Br)F 7a_100009813666_100000754431 [0,3,0,0,0,0|0,0,0]=3 28103 B13R1.8919 C=CCCOc1c(cccc1Br)N 34a_100011934915_100000754431 [0,3,0,0,0,0|0,0,0]=3 28104 B13R1.8919 C=CCCOc1c(cccc1C)C 34a_100000210341_100000754431 [0,3,0,0,0,0|0,0,0]=3 28105 B13R1.8919 C=CCCOc1c(cccc1C)C 7a_100000210341_100000754431 [0,3,0,0,0,0|0,0,0]=3 28106 B13R1.8919 C=CCCOc1c(cccc1Cl)C 34a_100000033731_100000754431 [0,3,0,0,0,0|0,0,0]=3 28107 B13R1.8919 C=CCCOc1c(cccc1Cl)C 7a_100000033731_100000754431 [0,3,0,0,0,0|0,0,0]=3 28108 B13R1.8919 C=CCCOc1c(cccc1Cl)Cl 34a_100000211709_100000754431 [0,3,0,0,0,0|0,0,0]=3 28109 B13R1.8919 C=CCCOc1c(cccc1Cl)Cl 7a_100000211709_100000754431 [0,3,0,0,0,0|0,0,0]=3 28110 B13R1.8919 C=CCCOc1c(cccc1Cl)F 34a_100000694953_100000754431 [0,3,0,0,0,0|0,0,0]=3 28111 B13R1.8919 C=CCCOc1c(cccc1Cl)F 7a_100000694953_100000754431 [0,3,0,0,0,0|0,0,0]=3 28112 B13R1.8919 C=CCCOc1c(cccc1Cl)N 34a_100000754742_100000754431 [0,3,0,0,0,0|0,0,0]=3 28113 B13R1.8919 C=CCCOc1c(cccc1F)C 34a_100011659162_100000754431 [0,3,0,0,0,0|0,0,0]=3 28114 B13R1.8919 C=CCCOc1c(cccc1F)C 7a_100011659162_100000754431 [0,3,0,0,0,0|0,0,0]=3 28115 B13R1.8919 C=CCCOc1c(cccc1F)F 34a_100000230165_100000754431 [0,3,0,0,0,0|0,0,0]=3 28116 B13R1.8919 C=CCCOc1c(cccc1F)F 7a_100000230165_100000754431 [0,3,0,0,0,0|0,0,0]=3 28117 B13R1.8919 C=CCCOc1c(cccc1F)N 34a_100011934987_100000754431 [0,3,0,0,0,0|0,0,0]=3 28118 B13R1.8919 C=CCCOc1c(cccc1I)Br 34a_100010084509_100000754431 [0,3,0,0,0,0|0,0,0]=3 28119 B13R1.8919 C=CCCOc1c(cccc1I)Br 7a_100010084509_100000754431 [0,3,0,0,0,0|0,0,0]=3 28120 B13R1.8919 C=CCCOc1c(cccc1I)Cl 34a_100010202889_100000754431 [0,3,0,0,0,0|0,0,0]=3 28121 B13R1.8919 C=CCCOc1c(cccc1I)Cl 7a_100010202889_100000754431 [0,3,0,0,0,0|0,0,0]=3 28122 B13R1.8919 C=CCCOc1c(cccc1I)F 34a_100010186298_100000754431 [0,3,0,0,0,0|0,0,0]=3 28123 B13R1.8919 C=CCCOc1c(cccc1I)F 7a_100010186298_100000754431 [0,3,0,0,0,0|0,0,0]=3 28124 B13R1.8919 C=CCCOc1c(cccc1I)N 34a_100010084371_100000754431 [0,3,0,0,0,0|0,0,0]=3 28125 B13R1.8919 C=CCCOc1c(cccc1N)C 34a_100000756359_100000754431 [0,3,0,0,0,0|0,0,0]=3 28126 B13R1.8919 C=CCCOc1c(cccc1N)C 7a_100000756359_100000754431 [0,3,0,0,0,0|0,0,0]=3 28127 B13R1.8919 C=CCCOc1c(cccc1N)N 34a_200016994477_100000754431 [0,3,0,0,0,0|0,0,0]=3 28128 B13R1.8919 C=CCCOc1c(ccnc1C)C 34a_100011934651_100000754431 [0,3,0,0,0,0|1,0,0]=4 28129 B13R1.8919 C=CCCOc1c(ccnc1C)C 7a_100011934651_100000754431 [0,3,0,0,0,0|1,0,0]=4 28130 B13R1.8919 C=CCCOc1c(ccnc1Cl)C 34a_100000696282_100000754431 [0,3,0,0,0,0|1,0,0]=4 28131 B13R1.8919 C=CCCOc1c(ccnc1Cl)C 7a_100000696282_100000754431 [0,3,0,0,0,0|1,0,0]=4 28132 B13R1.8919 C=CCCOc1c(ccnc1Cl)Cl 34a_100000118450_100000754431 [0,3,0,0,0,0|1,0,0]=4 28133 B13R1.8919 C=CCCOc1c(ccnc1Cl)Cl 7a_100000118450_100000754431 [0,3,0,0,0,0|1,0,0]=4 28134 B13R1.8919 C=CCCOc1c(ccnc1Cl)F 34a_100009867227_100000754431 [0,3,0,0,0,0|1,0,0]=4 28135 B13R1.8919 C=CCCOc1c(ccnc1Cl)F 7a_100009867227_100000754431 [0,3,0,0,0,0|1,0,0]=4 28136 B13R1.8919 C=CCCOc1c(ccnc1Cl)I 34a_100010067911_100000754431 [0,3,0,0,0,0|1,0,0]=4 28137 B13R1.8919 C=CCCOc1c(ccnc1Cl)I 7a_100010067911_100000754431 [0,3,0,0,0,0|1,0,0]=4 28138 B13R1.8919 C=CCCOc1c(ccnc1Cl)N 34a_100009844647_100000754431 [0,3,0,0,0,0|1,0,0]=4 28139 B13R1.8919 C=CCCOc1c(ccnc1Cl)N 7a_100009844647_100000754431 [0,3,0,0,0,0|1,0,0]=4 28140 B13R1.8919 C=CCCOc1c(occc1=O)C 34a_100000031901_100000754431 [0,3,0,0,0,0|1,0,0]=4 28141 B13R1.8919 C=CCCSc1c(cccc1Br)Br 62a_100000754431_100009994525 [0,3,0,0,0,0|0,1,0]=4 28142 B13R1.8919 C=CCCSc1c(cccc1Br)Br 62a_100009994525_100000754431 [0,3,0,0,0,0|0,1,0]=4 28143 B13R1.8919 C=CCCSc1c(cccc1Br)C 62a_100000754431_100010141302 [0,3,0,0,0,0|0,1,0]=4 28144 B13R1.8919 C=CCCSc1c(cccc1Br)C 62a_100010141302_100000754431 [0,3,0,0,0,0|0,1,0]=4 28145 B13R1.8919 C=CCCSc1c(cccc1Br)Cl 62a_100000754431_100010214488 [0,3,0,0,0,0|0,1,0]=4 28146 B13R1.8919 C=CCCSc1c(cccc1Br)Cl 62a_100010214488_100000754431 [0,3,0,0,0,0|0,1,0]=4 28147 B13R1.8919 C=CCCSc1c(cccc1Br)F 62a_100000754431_100011219512 [0,3,0,0,0,0|0,1,0]=4 28148 B13R1.8919 C=CCCSc1c(cccc1Br)F 62a_100011219512_100000754431 [0,3,0,0,0,0|0,1,0]=4 28149 B13R1.8919 C=CCCSc1c(cccc1Br)N 62a_100000754431_100020590159 [0,3,0,0,0,0|0,1,0]=4 28150 B13R1.8919 C=CCCSc1c(cccc1Br)N 62a_100020590159_100000754431 [0,3,0,0,0,0|0,1,0]=4 28151 B13R1.8919 C=CCCSc1c(cccc1Br)O 62a_100000754431_100010187912 [0,3,0,0,0,0|0,1,0]=4 28152 B13R1.8919 C=CCCSc1c(cccc1Br)O 62a_100010187912_100000754431 [0,3,0,0,0,0|0,1,0]=4 28153 B13R1.8919 C=CCCSc1c(cccc1C)C 62a_100000033847_100000754431 [0,3,0,0,0,0|0,1,0]=4 28154 B13R1.8919 C=CCCSc1c(cccc1C)C 62a_100000754431_100000033847 [0,3,0,0,0,0|0,1,0]=4 28155 B13R1.8919 C=CCCSc1c(cccc1Cl)C 62a_100000043165_100000754431 [0,3,0,0,0,0|0,1,0]=4 28156 B13R1.8919 C=CCCSc1c(cccc1Cl)C 62a_100000754431_100000043165 [0,3,0,0,0,0|0,1,0]=4 28157 B13R1.8919 C=CCCSc1c(cccc1Cl)Cl 62a_100000034237_100000754431 [0,3,0,0,0,0|0,1,0]=4 28158 B13R1.8919 C=CCCSc1c(cccc1Cl)Cl 62a_100000754431_100000034237 [0,3,0,0,0,0|0,1,0]=4 28159 B13R1.8919 C=CCCSc1c(cccc1Cl)F 62a_100000050007_100000754431 [0,3,0,0,0,0|0,1,0]=4 28160 B13R1.8919 C=CCCSc1c(cccc1Cl)F 62a_100000754431_100000050007 [0,3,0,0,0,0|0,1,0]=4 28161 B13R1.8919 C=CCCSc1c(cccc1Cl)N 62a_100000049713_100000754431 [0,3,0,0,0,0|0,1,0]=4 28162 B13R1.8919 C=CCCSc1c(cccc1Cl)N 62a_100000754431_100000049713 [0,3,0,0,0,0|0,1,0]=4 28163 B13R1.8919 C=CCCSc1c(cccc1Cl)O 62a_100000754431_100000050174 [0,3,0,0,0,0|0,1,0]=4 28164 B13R1.8919 C=CCCSc1c(cccc1F)C 62a_100000754431_100011218421 [0,3,0,0,0,0|0,1,0]=4 28165 B13R1.8919 C=CCCSc1c(cccc1F)C 62a_100011218421_100000754431 [0,3,0,0,0,0|0,1,0]=4 28166 B13R1.8919 C=CCCSc1c(cccc1F)F 62a_100000693133_100000754431 [0,3,0,0,0,0|0,1,0]=4 28167 B13R1.8919 C=CCCSc1c(cccc1F)F 62a_100000754431_100000693133 [0,3,0,0,0,0|0,1,0]=4 28168 B13R1.8919 C=CCCSc1c(cccc1F)N 62a_100000690935_100000754431 [0,3,0,0,0,0|0,1,0]=4 28169 B13R1.8919 C=CCCSc1c(cccc1F)N 62a_100000754431_100000690935 [0,3,0,0,0,0|0,1,0]=4 28170 B13R1.8919 C=CCCSc1c(cccc1F)O 62a_100000754431_100009820682 [0,3,0,0,0,0|0,1,0]=4 28171 B13R1.8919 C=CCCSc1c(cccc1F)O 62a_100009820682_100000754431 [0,3,0,0,0,0|0,1,0]=4 28172 B13R1.8919 C=CCCSc1c(cccc1N)C 62a_100000684715_100000754431 [0,3,0,0,0,0|0,1,0]=4 28173 B13R1.8919 C=CCCSc1c(cccc1N)C 62a_100000754431_100000684715 [0,3,0,0,0,0|0,1,0]=4 28174 B13R1.8919 C=CCCSc1c(cccc1O)C 62a_100000686692_100000754431 [0,3,0,0,0,0|0,1,0]=4 28175 B13R1.8919 C=CCCSc1c(cccc1O)C 62a_100000754431_100000686692 [0,3,0,0,0,0|0,1,0]=4 28176 B13R1.8919 C=CCCSc1c(cccc1O)N 62a_100000754431_100012183704 [0,3,0,0,0,0|0,1,0]=4 28177 B13R1.8919 C=CCCSc1c(cccc1O)N 62a_100012183704_100000754431 [0,3,0,0,0,0|0,1,0]=4 28178 B13R1.8919 C=CCCSc1c(cccc1O)O 62a_100000754431_100010205330 [0,3,0,0,0,0|0,1,0]=4 28179 B13R1.8919 C=CCNCc1c(cccc1Br)Br 270004a_100020586998_100010233043 [0,3,0,0,0,0|1,0,0]=4 28180 B13R1.8919 C=CCNCc1c(cccc1Br)C 2230a_100020586998_100010146847 [0,3,0,0,0,0|1,0,0]=4 28181 B13R1.8919 C=CCNCc1c(cccc1Br)C 270004a_100020586998_100009881667 [0,3,0,0,0,0|1,0,0]=4 28182 B13R1.8919 C=CCNCc1c(cccc1Br)Cl 2230a_100020586998_100010138402 [0,3,0,0,0,0|1,0,0]=4 28183 B13R1.8919 C=CCNCc1c(cccc1Br)Cl 270004a_100020586998_100011249081 [0,3,0,0,0,0|1,0,0]=4 28184 B13R1.8919 C=CCNCc1c(cccc1Br)F 2230a_100020586998_100012145669 [0,3,0,0,0,0|1,0,0]=4 28185 B13R1.8919 C=CCNCc1c(cccc1Br)F 270004a_100020586998_100000752695 [0,3,0,0,0,0|1,0,0]=4 28186 B13R1.8919 C=CCNCc1c(cccc1Br)F 34a_100012349121_100015514636 [0,3,0,0,0,0|1,0,0]=4 28187 B13R1.8919 C=CCNCc1c(cccc1C)C 2230a_100020586998_100000758300 [0,3,0,0,0,0|1,0,0]=4 28188 B13R1.8919 C=CCNCc1c(cccc1C)C 270004a_100020586998_100000758299 [0,3,0,0,0,0|1,0,0]=4 28189 B13R1.8919 C=CCNCc1c(cccc1C)C 34a_100000689800_100015514636 [0,3,0,0,0,0|1,0,0]=4 28190 B13R1.8919 C=CCNCc1c(cccc1Cl)C 270004a_100020586998_100000041122 [0,3,0,0,0,0|1,0,0]=4 28191 B13R1.8919 C=CCNCc1c(cccc1Cl)Cl 2230a_100000174884_100000210623 [0,3,0,0,0,0|1,0,0]=4 28192 B13R1.8919 C=CCNCc1c(cccc1Cl)Cl 2230a_100020586998_100000187851 [0,3,0,0,0,0|1,0,0]=4 28193 B13R1.8919 C=CCNCc1c(cccc1Cl)Cl 270004a_100020586998_100000189306 [0,3,0,0,0,0|1,0,0]=4 28194 B13R1.8919 C=CCNCc1c(cccc1Cl)Cl 34a_100000174884_100015514636 [0,3,0,0,0,0|1,0,0]=4 28195 B13R1.8919 C=CCNCc1c(cccc1Cl)F 2230a_100020586998_100000187852 [0,3,0,0,0,0|1,0,0]=4 28196 B13R1.8919 C=CCNCc1c(cccc1Cl)F 270004a_100020586998_100000210083 [0,3,0,0,0,0|1,0,0]=4 28197 B13R1.8919 C=CCNCc1c(cccc1Cl)F 34a_100000174883_100015514636 [0,3,0,0,0,0|1,0,0]=4 28198 B13R1.8919 C=CCNCc1c(cccc1F)C 2230a_100020586998_100009814554 [0,3,0,0,0,0|1,0,0]=4 28199 B13R1.8919 C=CCNCc1c(cccc1F)C 270004a_100020586998_100000069827 [0,3,0,0,0,0|1,0,0]=4 28200 B13R1.8919 C=CCNCc1c(cccc1F)C 34a_100000762012_100015514636 [0,3,0,0,0,0|1,0,0]=4 28201 B13R1.8919 C=CCNCc1c(cccc1F)F 2230a_100020586998_100000698325 [0,3,0,0,0,0|1,0,0]=4 28202 B13R1.8919 C=CCNCc1c(cccc1F)F 270004a_100020586998_100000211061 [0,3,0,0,0,0|1,0,0]=4 28203 B13R1.8919 C=CCNCc1c(cccc1F)F 34a_100000688400_100015514636 [0,3,0,0,0,0|1,0,0]=4 28204 B13R1.8919 C=CCNCc1c(cccc1I)Br 2230a_100020586998_100010146611 [0,3,0,0,0,0|1,0,0]=4 28205 B13R1.8919 C=CCNCc1c(cccc1I)C 2230a_100020586998_100010150146 [0,3,0,0,0,0|1,0,0]=4 28206 B13R1.8919 C=CCNCc1c(cccc1I)Cl 270004a_100020586998_100010147682 [0,3,0,0,0,0|1,0,0]=4 28207 B13R1.8919 C=CCNCc1c(cccc1I)F 2230a_100020586998_100010149602 [0,3,0,0,0,0|1,0,0]=4 28208 B13R1.8919 C=CCNCc1c(cccc1I)F 270004a_100020586998_100010178011 [0,3,0,0,0,0|1,0,0]=4 28209 B13R1.8919 C=CCOCc1c(cccc1Br)Br 34a_100010172814_100015514636 [0,3,0,0,0,0|0,0,0]=3 28210 B13R1.8919 C=CCOCc1c(cccc1Br)Br 7a_100010172814_100015514636 [0,3,0,0,0,0|0,0,0]=3 28211 B13R1.8919 C=CCOCc1c(cccc1Br)C 34a_200000210373_100010146847 [0,3,0,0,0,0|0,0,0]=3 28212 B13R1.8919 C=CCOCc1c(cccc1Br)Cl 34a_200000210373_100010138402 [0,3,0,0,0,0|0,0,0]=3 28213 B13R1.8919 C=CCOCc1c(cccc1Br)F 34a_100012355691_100015514636 [0,3,0,0,0,0|0,0,0]=3 28214 B13R1.8919 C=CCOCc1c(cccc1Br)F 34a_200000210373_100012145669 [0,3,0,0,0,0|0,0,0]=3 28215 B13R1.8919 C=CCOCc1c(cccc1Br)F 7a_100012355691_100015514636 [0,3,0,0,0,0|0,0,0]=3 28216 B13R1.8919 C=CCOCc1c(cccc1Br)N 34a_100000747656_100015514636 [0,3,0,0,0,0|0,0,0]=3 28217 B13R1.8919 C=CCOCc1c(cccc1C)C 34a_100011933981_100015514636 [0,3,0,0,0,0|0,0,0]=3 28218 B13R1.8919 C=CCOCc1c(cccc1C)C 34a_200000210373_100000758300 [0,3,0,0,0,0|0,0,0]=3 28219 B13R1.8919 C=CCOCc1c(cccc1C)C 7a_100011933981_100015514636 [0,3,0,0,0,0|0,0,0]=3 28220 B13R1.8919 C=CCOCc1c(cccc1Cl)C 34a_100000082531_100015514636 [0,3,0,0,0,0|0,0,0]=3 28221 B13R1.8919 C=CCOCc1c(cccc1Cl)C 7a_100000082531_100015514636 [0,3,0,0,0,0|0,0,0]=3 28222 B13R1.8919 C=CCOCc1c(cccc1Cl)Cl 34a_100000215722_100015514636 [0,3,0,0,0,0|0,0,0]=3 28223 B13R1.8919 C=CCOCc1c(cccc1Cl)Cl 34a_200000210373_100000187851 [0,3,0,0,0,0|0,0,0]=3 28224 B13R1.8919 C=CCOCc1c(cccc1Cl)Cl 7a_100000215722_100015514636 [0,3,0,0,0,0|0,0,0]=3 28225 B13R1.8919 C=CCOCc1c(cccc1Cl)F 34a_100000215723_100015514636 [0,3,0,0,0,0|0,0,0]=3 28226 B13R1.8919 C=CCOCc1c(cccc1Cl)F 34a_200000210373_100000187852 [0,3,0,0,0,0|0,0,0]=3 28227 B13R1.8919 C=CCOCc1c(cccc1Cl)F 7a_100000215723_100015514636 [0,3,0,0,0,0|0,0,0]=3 28228 B13R1.8919 C=CCOCc1c(cccc1Cl)N 34a_100011916388_100015514636 [0,3,0,0,0,0|0,0,0]=3 28229 B13R1.8919 C=CCOCc1c(cccc1F)C 34a_100000057874_100015514636 [0,3,0,0,0,0|0,0,0]=3 28230 B13R1.8919 C=CCOCc1c(cccc1F)C 34a_200000210373_100009814554 [0,3,0,0,0,0|0,0,0]=3 28231 B13R1.8919 C=CCOCc1c(cccc1F)C 7a_100000057874_100015514636 [0,3,0,0,0,0|0,0,0]=3 28232 B13R1.8919 C=CCOCc1c(cccc1F)F 34a_100000698215_100015514636 [0,3,0,0,0,0|0,0,0]=3 28233 B13R1.8919 C=CCOCc1c(cccc1F)F 34a_200000210373_100000698325 [0,3,0,0,0,0|0,0,0]=3 28234 B13R1.8919 C=CCOCc1c(cccc1F)F 7a_100000698215_100015514636 [0,3,0,0,0,0|0,0,0]=3 28235 B13R1.8919 C=CCOCc1c(cccc1F)N 34a_100011846719_100015514636 [0,3,0,0,0,0|0,0,0]=3 28236 B13R1.8919 C=CCOCc1c(cccc1I)Br 34a_200000210373_100010146611 [0,3,0,0,0,0|0,0,0]=3 28237 B13R1.8919 C=CCOCc1c(cccc1I)C 34a_200000210373_100010150146 [0,3,0,0,0,0|0,0,0]=3 28238 B13R1.8919 C=CCOCc1c(cccc1I)F 34a_100010214973_100015514636 [0,3,0,0,0,0|0,0,0]=3 28239 B13R1.8919 C=CCOCc1c(cccc1I)F 34a_200000210373_100010149602 [0,3,0,0,0,0|0,0,0]=3 28240 B13R1.8919 C=CCOCc1c(cccc1I)F 7a_100010214973_100015514636 [0,3,0,0,0,0|0,0,0]=3 28241 B13R1.8919 C=CCOCc1c(ccnc1Br)Br 34a_200015784018_100015514636 [0,3,0,0,0,0|1,0,0]=4 28242 B13R1.8919 C=CCOCc1c(ccnc1Br)Br 7a_200015784018_100015514636 [0,3,0,0,0,0|1,0,0]=4 28243 B13R1.8919 C=CCOCc1c(ccnc1Cl)Cl 34a_200009882739_100015514636 [0,3,0,0,0,0|1,0,0]=4 28244 B13R1.8919 C=CCOCc1c(ccnc1Cl)Cl 7a_200009882739_100015514636 [0,3,0,0,0,0|1,0,0]=4 28245 B13R1.8919 C=CCOCc1c(ccnc1Cl)I 7a_100000047008_100015514636 [0,3,0,0,0,0|1,0,0]=4 28246 B13R1.8919 C=CCOCc1c(ccnc1F)I 34a_100000050056_100015514636 [0,3,0,0,0,0|1,0,0]=4 28247 B13R1.8919 C=CCOCc1c(ccnc1F)I 7a_100000050056_100015514636 [0,3,0,0,0,0|1,0,0]=4 28248 B13R1.8919 C=CCOCc1c(cncc1Cl)Cl 34a_200000210373_200009872113 [0,3,0,0,0,0|1,0,0]=4 28249 B13R1.8919 C=CCSCc1c(cccc1Br)C 62a_100000210623_100010146847 [0,3,0,0,0,0|0,1,0]=4 28250 B13R1.8919 C=CCSCc1c(cccc1Br)C 62a_100010146847_100000210623 [0,3,0,0,0,0|0,1,0]=4 28251 B13R1.8919 C=CCSCc1c(cccc1Br)Cl 62a_100000210623_100010138402 [0,3,0,0,0,0|0,1,0]=4 28252 B13R1.8919 C=CCSCc1c(cccc1Br)Cl 62a_100010138402_100000210623 [0,3,0,0,0,0|0,1,0]=4 28253 B13R1.8919 C=CCSCc1c(cccc1Br)F 62a_100000210623_100012145669 [0,3,0,0,0,0|0,1,0]=4 28254 B13R1.8919 C=CCSCc1c(cccc1Br)F 62a_100012145669_100000210623 [0,3,0,0,0,0|0,1,0]=4 28255 B13R1.8919 C=CCSCc1c(cccc1C)C 62a_100000210623_100000758300 [0,3,0,0,0,0|0,1,0]=4 28256 B13R1.8919 C=CCSCc1c(cccc1C)C 62a_100000758300_100000210623 [0,3,0,0,0,0|0,1,0]=4 28257 B13R1.8919 C=CCSCc1c(cccc1Cl)Cl 62a_100000187851_100000210623 [0,3,0,0,0,0|0,1,0]=4 28258 B13R1.8919 C=CCSCc1c(cccc1Cl)Cl 62a_100000210623_100000187851 [0,3,0,0,0,0|0,1,0]=4 28259 B13R1.8919 C=CCSCc1c(cccc1Cl)F 62a_100000187852_100000210623 [0,3,0,0,0,0|0,1,0]=4 28260 B13R1.8919 C=CCSCc1c(cccc1Cl)F 62a_100000210623_100000187852 [0,3,0,0,0,0|0,1,0]=4 28261 B13R1.8919 C=CCSCc1c(cccc1F)C 62a_100000210623_100009814554 [0,3,0,0,0,0|0,1,0]=4 28262 B13R1.8919 C=CCSCc1c(cccc1F)C 62a_100009814554_100000210623 [0,3,0,0,0,0|0,1,0]=4 28263 B13R1.8919 C=CCSCc1c(cccc1F)F 62a_100000210623_100000698325 [0,3,0,0,0,0|0,1,0]=4 28264 B13R1.8919 C=CCSCc1c(cccc1F)F 62a_100000709179_100000210623 [0,3,0,0,0,0|0,1,0]=4 28265 B13R1.8919 C=CCSCc1c(cccc1I)Br 62a_100000210623_100010146611 [0,3,0,0,0,0|0,1,0]=4 28266 B13R1.8919 C=CCSCc1c(cccc1I)Br 62a_100010146611_100000210623 [0,3,0,0,0,0|0,1,0]=4 28267 B13R1.8919 C=CCSCc1c(cccc1I)C 62a_100000210623_100010150146 [0,3,0,0,0,0|0,1,0]=4 28268 B13R1.8919 C=CCSCc1c(cccc1I)C 62a_100010150146_100000210623 [0,3,0,0,0,0|0,1,0]=4 28269 B13R1.8919 C=CCSCc1c(cccc1I)F 62a_100000210623_100010149602 [0,3,0,0,0,0|0,1,0]=4 28270 B13R1.8919 C=CCSCc1c(cccc1I)F 62a_100010149602_100000210623 [0,3,0,0,0,0|0,1,0]=4 28271 B13R1.8919 CC=CCNc1c(cccc1Br)Br 34a_100000690995_100000070051 [0,3,0,0,0,0|1,0,0]=4 28272 B13R1.8919 CC=CCNc1c(cccc1Br)C 34a_100011834072_100000070051 [0,3,0,0,0,0|1,0,0]=4 28273 B13R1.8919 CC=CCNc1c(cccc1Br)Cl 34a_100102946385_100000070051 [0,3,0,0,0,0|1,0,0]=4 28274 B13R1.8919 CC=CCNc1c(cccc1Br)F 34a_100000684712_100000070051 [0,3,0,0,0,0|1,0,0]=4 28275 B13R1.8919 CC=CCNc1c(cccc1Br)O 34a_100011934926_100000070051 [0,3,0,0,0,0|1,0,0]=4 28276 B13R1.8919 CC=CCNc1c(cccc1C)C 34a_100000185769_100000070051 [0,3,0,0,0,0|1,0,0]=4 28277 B13R1.8919 CC=CCNc1c(cccc1Cl)C 34a_100000756524_100000070051 [0,3,0,0,0,0|1,0,0]=4 28278 B13R1.8919 CC=CCNc1c(cccc1Cl)Cl 34a_100000210028_100000070051 [0,3,0,0,0,0|1,0,0]=4 28279 B13R1.8919 CC=CCNc1c(cccc1Cl)F 34a_100000760031_100000070051 [0,3,0,0,0,0|1,0,0]=4 28280 B13R1.8919 CC=CCNc1c(cccc1Cl)O 34a_100012022510_100000070051 [0,3,0,0,0,0|1,0,0]=4 28281 B13R1.8919 CC=CCNc1c(cccc1F)C 34a_100000766463_100000070051 [0,3,0,0,0,0|1,0,0]=4 28282 B13R1.8919 CC=CCNc1c(cccc1F)F 2230a_100000210704_100000070051 [0,3,0,0,0,0|1,0,0]=4 28283 B13R1.8919 CC=CCNc1c(cccc1F)F 34a_100000210704_100000070051 [0,3,0,0,0,0|1,0,0]=4 28284 B13R1.8919 CC=CCNc1c(cccc1F)O 34a_100020591140_100000070051 [0,3,0,0,0,0|1,0,0]=4 28285 B13R1.8919 CC=CCNc1c(cccc1I)F 34a_100000042321_100000070051 [0,3,0,0,0,0|1,0,0]=4 28286 B13R1.8919 CC=CCNc1c(cccc1O)C 34a_100000743429_100000070051 [0,3,0,0,0,0|1,0,0]=4 28287 B13R1.8919 CC=CCOc1c(cccc1Br)Br 34a_100000736428_100000070051 [0,3,0,0,0,0|0,0,0]=3 28288 B13R1.8919 CC=CCOc1c(cccc1Br)Br 7a_100000736428_100000070051 [0,3,0,0,0,0|0,0,0]=3 28289 B13R1.8919 CC=CCOc1c(cccc1Br)C 34a_100009817157_100000070051 [0,3,0,0,0,0|0,0,0]=3 28290 B13R1.8919 CC=CCOc1c(cccc1Br)C 7a_100009817157_100000070051 [0,3,0,0,0,0|0,0,0]=3 28291 B13R1.8919 CC=CCOc1c(cccc1Br)Cl 34a_100010214474_100000070051 [0,3,0,0,0,0|0,0,0]=3 28292 B13R1.8919 CC=CCOc1c(cccc1Br)Cl 7a_100010214474_100000070051 [0,3,0,0,0,0|0,0,0]=3 28293 B13R1.8919 CC=CCOc1c(cccc1Br)F 34a_100009813666_100000070051 [0,3,0,0,0,0|0,0,0]=3 28294 B13R1.8919 CC=CCOc1c(cccc1Br)F 7a_100009813666_100000070051 [0,3,0,0,0,0|0,0,0]=3 28295 B13R1.8919 CC=CCOc1c(cccc1Br)N 34a_100011934915_100000070051 [0,3,0,0,0,0|0,0,0]=3 28296 B13R1.8919 CC=CCOc1c(cccc1C)C 34a_100000210341_100000070051 [0,3,0,0,0,0|0,0,0]=3 28297 B13R1.8919 CC=CCOc1c(cccc1C)C 7a_100000210341_100000070051 [0,3,0,0,0,0|0,0,0]=3 28298 B13R1.8919 CC=CCOc1c(cccc1Cl)C 34a_100000033731_100000070051 [0,3,0,0,0,0|0,0,0]=3 28299 B13R1.8919 CC=CCOc1c(cccc1Cl)C 7a_100000033731_100000070051 [0,3,0,0,0,0|0,0,0]=3 28300 B13R1.8919 CC=CCOc1c(cccc1Cl)Cl 34a_100000211709_100000070051 [0,3,0,0,0,0|0,0,0]=3 28301 B13R1.8919 CC=CCOc1c(cccc1Cl)Cl 7a_100000211709_100000070051 [0,3,0,0,0,0|0,0,0]=3 28302 B13R1.8919 CC=CCOc1c(cccc1Cl)F 34a_100000694953_100000070051 [0,3,0,0,0,0|0,0,0]=3 28303 B13R1.8919 CC=CCOc1c(cccc1Cl)F 7a_100000694953_100000070051 [0,3,0,0,0,0|0,0,0]=3 28304 B13R1.8919 CC=CCOc1c(cccc1Cl)N 34a_100000754742_100000070051 [0,3,0,0,0,0|0,0,0]=3 28305 B13R1.8919 CC=CCOc1c(cccc1F)C 34a_100011659162_100000070051 [0,3,0,0,0,0|0,0,0]=3 28306 B13R1.8919 CC=CCOc1c(cccc1F)C 7a_100011659162_100000070051 [0,3,0,0,0,0|0,0,0]=3 28307 B13R1.8919 CC=CCOc1c(cccc1F)F 34a_100000230165_100000070051 [0,3,0,0,0,0|0,0,0]=3 28308 B13R1.8919 CC=CCOc1c(cccc1F)F 7a_100000230165_100000070051 [0,3,0,0,0,0|0,0,0]=3 28309 B13R1.8919 CC=CCOc1c(cccc1F)N 34a_100011934987_100000070051 [0,3,0,0,0,0|0,0,0]=3 28310 B13R1.8919 CC=CCOc1c(cccc1I)Br 34a_100010084509_100000070051 [0,3,0,0,0,0|0,0,0]=3 28311 B13R1.8919 CC=CCOc1c(cccc1I)Br 7a_100010084509_100000070051 [0,3,0,0,0,0|0,0,0]=3 28312 B13R1.8919 CC=CCOc1c(cccc1I)Cl 34a_100010202889_100000070051 [0,3,0,0,0,0|0,0,0]=3 28313 B13R1.8919 CC=CCOc1c(cccc1I)Cl 7a_100010202889_100000070051 [0,3,0,0,0,0|0,0,0]=3 28314 B13R1.8919 CC=CCOc1c(cccc1I)F 34a_100010186298_100000070051 [0,3,0,0,0,0|0,0,0]=3 28315 B13R1.8919 CC=CCOc1c(cccc1I)F 7a_100010186298_100000070051 [0,3,0,0,0,0|0,0,0]=3 28316 B13R1.8919 CC=CCOc1c(cccc1I)N 34a_100010084371_100000070051 [0,3,0,0,0,0|0,0,0]=3 28317 B13R1.8919 CC=CCOc1c(cccc1N)C 34a_100000756359_100000070051 [0,3,0,0,0,0|0,0,0]=3 28318 B13R1.8919 CC=CCOc1c(cccc1N)C 7a_100000756359_100000070051 [0,3,0,0,0,0|0,0,0]=3 28319 B13R1.8919 CC=CCOc1c(cccc1N)N 34a_200016994477_100000070051 [0,3,0,0,0,0|0,0,0]=3 28320 B13R1.8919 CC=CCOc1c(ccnc1C)C 34a_100011934651_100000070051 [0,3,0,0,0,0|1,0,0]=4 28321 B13R1.8919 CC=CCOc1c(ccnc1C)C 7a_100011934651_100000070051 [0,3,0,0,0,0|1,0,0]=4 28322 B13R1.8919 CC=CCOc1c(ccnc1Cl)C 34a_100000696282_100000070051 [0,3,0,0,0,0|1,0,0]=4 28323 B13R1.8919 CC=CCOc1c(ccnc1Cl)C 7a_100000696282_100000070051 [0,3,0,0,0,0|1,0,0]=4 28324 B13R1.8919 CC=CCOc1c(ccnc1Cl)Cl 34a_100000118450_100000070051 [0,3,0,0,0,0|1,0,0]=4 28325 B13R1.8919 CC=CCOc1c(ccnc1Cl)Cl 7a_100000118450_100000070051 [0,3,0,0,0,0|1,0,0]=4 28326 B13R1.8919 CC=CCOc1c(ccnc1Cl)F 34a_100009867227_100000070051 [0,3,0,0,0,0|1,0,0]=4 28327 B13R1.8919 CC=CCOc1c(ccnc1Cl)F 7a_100009867227_100000070051 [0,3,0,0,0,0|1,0,0]=4 28328 B13R1.8919 CC=CCOc1c(ccnc1Cl)I 34a_100010067911_100000070051 [0,3,0,0,0,0|1,0,0]=4 28329 B13R1.8919 CC=CCOc1c(ccnc1Cl)I 7a_100010067911_100000070051 [0,3,0,0,0,0|1,0,0]=4 28330 B13R1.8919 CC=CCOc1c(ccnc1Cl)N 34a_100009844647_100000070051 [0,3,0,0,0,0|1,0,0]=4 28331 B13R1.8919 CC=CCOc1c(ccnc1Cl)N 7a_100009844647_100000070051 [0,3,0,0,0,0|1,0,0]=4 28332 B13R1.8919 CC=CCOc1c(occc1=O)C 34a_100000031901_100000070051 [0,3,0,0,0,0|1,0,0]=4 28333 B13R1.8919 CC=CCSc1c(cccc1Br)Br 62a_100000070051_100009994525 [0,3,0,0,0,0|0,1,0]=4 28334 B13R1.8919 CC=CCSc1c(cccc1Br)Br 62a_100009994525_100000070051 [0,3,0,0,0,0|0,1,0]=4 28335 B13R1.8919 CC=CCSc1c(cccc1Br)C 62a_100000070051_100010141302 [0,3,0,0,0,0|0,1,0]=4 28336 B13R1.8919 CC=CCSc1c(cccc1Br)C 62a_100010141302_100000070051 [0,3,0,0,0,0|0,1,0]=4 28337 B13R1.8919 CC=CCSc1c(cccc1Br)Cl 62a_100000070051_100010214488 [0,3,0,0,0,0|0,1,0]=4 28338 B13R1.8919 CC=CCSc1c(cccc1Br)Cl 62a_100010214488_100000070051 [0,3,0,0,0,0|0,1,0]=4 28339 B13R1.8919 CC=CCSc1c(cccc1Br)F 62a_100000070051_100011219512 [0,3,0,0,0,0|0,1,0]=4 28340 B13R1.8919 CC=CCSc1c(cccc1Br)F 62a_100011219512_100000070051 [0,3,0,0,0,0|0,1,0]=4 28341 B13R1.8919 CC=CCSc1c(cccc1Br)N 62a_100000070051_100020590159 [0,3,0,0,0,0|0,1,0]=4 28342 B13R1.8919 CC=CCSc1c(cccc1Br)N 62a_100020590159_100000070051 [0,3,0,0,0,0|0,1,0]=4 28343 B13R1.8919 CC=CCSc1c(cccc1Br)O 62a_100000070051_100010187912 [0,3,0,0,0,0|0,1,0]=4 28344 B13R1.8919 CC=CCSc1c(cccc1Br)O 62a_100010187912_100000070051 [0,3,0,0,0,0|0,1,0]=4 28345 B13R1.8919 CC=CCSc1c(cccc1C)C 62a_100000033847_100000070051 [0,3,0,0,0,0|0,1,0]=4 28346 B13R1.8919 CC=CCSc1c(cccc1C)C 62a_100000070051_100000033847 [0,3,0,0,0,0|0,1,0]=4 28347 B13R1.8919 CC=CCSc1c(cccc1Cl)C 62a_100000043165_100000070051 [0,3,0,0,0,0|0,1,0]=4 28348 B13R1.8919 CC=CCSc1c(cccc1Cl)C 62a_100000070051_100000043165 [0,3,0,0,0,0|0,1,0]=4 28349 B13R1.8919 CC=CCSc1c(cccc1Cl)Cl 62a_100000034237_100000070051 [0,3,0,0,0,0|0,1,0]=4 28350 B13R1.8919 CC=CCSc1c(cccc1Cl)Cl 62a_100000070051_100000034237 [0,3,0,0,0,0|0,1,0]=4 28351 B13R1.8919 CC=CCSc1c(cccc1Cl)F 62a_100000050007_100000070051 [0,3,0,0,0,0|0,1,0]=4 28352 B13R1.8919 CC=CCSc1c(cccc1Cl)F 62a_100000070051_100000050007 [0,3,0,0,0,0|0,1,0]=4 28353 B13R1.8919 CC=CCSc1c(cccc1Cl)N 62a_100000049713_100000070051 [0,3,0,0,0,0|0,1,0]=4 28354 B13R1.8919 CC=CCSc1c(cccc1Cl)N 62a_100000070051_100000049713 [0,3,0,0,0,0|0,1,0]=4 28355 B13R1.8919 CC=CCSc1c(cccc1Cl)O 62a_100000070051_100000050174 [0,3,0,0,0,0|0,1,0]=4 28356 B13R1.8919 CC=CCSc1c(cccc1F)C 62a_100000070051_100011218421 [0,3,0,0,0,0|0,1,0]=4 28357 B13R1.8919 CC=CCSc1c(cccc1F)C 62a_100011218421_100000070051 [0,3,0,0,0,0|0,1,0]=4 28358 B13R1.8919 CC=CCSc1c(cccc1F)F 62a_100000070051_100000693133 [0,3,0,0,0,0|0,1,0]=4 28359 B13R1.8919 CC=CCSc1c(cccc1F)F 62a_100000693133_100000070051 [0,3,0,0,0,0|0,1,0]=4 28360 B13R1.8919 CC=CCSc1c(cccc1F)N 62a_100000070051_100000690935 [0,3,0,0,0,0|0,1,0]=4 28361 B13R1.8919 CC=CCSc1c(cccc1F)N 62a_100000690935_100000070051 [0,3,0,0,0,0|0,1,0]=4 28362 B13R1.8919 CC=CCSc1c(cccc1F)O 62a_100000070051_100009820682 [0,3,0,0,0,0|0,1,0]=4 28363 B13R1.8919 CC=CCSc1c(cccc1F)O 62a_100009820682_100000070051 [0,3,0,0,0,0|0,1,0]=4 28364 B13R1.8919 CC=CCSc1c(cccc1N)C 62a_100000070051_100000684715 [0,3,0,0,0,0|0,1,0]=4 28365 B13R1.8919 CC=CCSc1c(cccc1N)C 62a_100000684715_100000070051 [0,3,0,0,0,0|0,1,0]=4 28366 B13R1.8919 CC=CCSc1c(cccc1O)C 62a_100000070051_100000686692 [0,3,0,0,0,0|0,1,0]=4 28367 B13R1.8919 CC=CCSc1c(cccc1O)C 62a_100000686692_100000070051 [0,3,0,0,0,0|0,1,0]=4 28368 B13R1.8919 CC=CCSc1c(cccc1O)N 62a_100000070051_100012183704 [0,3,0,0,0,0|0,1,0]=4 28369 B13R1.8919 CC=CCSc1c(cccc1O)N 62a_100012183704_100000070051 [0,3,0,0,0,0|0,1,0]=4 28370 B13R1.8919 CC=CCSc1c(cccc1O)O 62a_100000070051_100010205330 [0,3,0,0,0,0|0,1,0]=4 28371 B13R1.8919 Cc1cccc(c1COCC=O)C 34a_100011933981_200009817547 [0,3,0,0,0,0|1,0,0]=4 28372 B13R1.8919 Cc1cccc(c1COCC=O)C 7a_100011933981_200015260668 [0,3,0,0,0,0|1,0,0]=4 28373 B13R1.8919 Cc1cccc(c1COCC=O)Cl 34a_100000082531_200009817547 [0,3,0,0,0,0|1,0,0]=4 28374 B13R1.8919 Cc1cccc(c1COCC=O)Cl 7a_100000082531_200015260668 [0,3,0,0,0,0|1,0,0]=4 28375 B13R1.8919 Cc1cccc(c1COCC=O)F 34a_100000057874_200009817547 [0,3,0,0,0,0|1,0,0]=4 28376 B13R1.8919 Cc1cccc(c1COCC=O)F 7a_100000057874_200015260668 [0,3,0,0,0,0|1,0,0]=4 28377 B13R1.8919 Nc1cccc(c1COCC=O)Br 34a_100000747656_200009817547 [0,3,0,0,0,0|1,0,0]=4 28378 B13R1.8919 Nc1cccc(c1COCC=O)Cl 34a_100011916388_200009817547 [0,3,0,0,0,0|1,0,0]=4 28379 B13R1.8919 Nc1cccc(c1COCC=O)F 34a_100011846719_200009817547 [0,3,0,0,0,0|1,0,0]=4 28380 B13R1.8919 O=CCOCc1c(cccc1Br)Br 34a_100010172814_200009817547 [0,3,0,0,0,0|1,0,0]=4 28381 B13R1.8919 O=CCOCc1c(cccc1Br)Br 7a_100010172814_200015260668 [0,3,0,0,0,0|1,0,0]=4 28382 B13R1.8919 O=CCOCc1c(cccc1Br)F 34a_100012355691_200009817547 [0,3,0,0,0,0|1,0,0]=4 28383 B13R1.8919 O=CCOCc1c(cccc1Br)F 7a_100012355691_200015260668 [0,3,0,0,0,0|1,0,0]=4 28384 B13R1.8919 O=CCOCc1c(cccc1Cl)Cl 34a_100000215722_200009817547 [0,3,0,0,0,0|1,0,0]=4 28385 B13R1.8919 O=CCOCc1c(cccc1Cl)Cl 7a_100000215722_200015260668 [0,3,0,0,0,0|1,0,0]=4 28386 B13R1.8919 O=CCOCc1c(cccc1Cl)F 34a_100000215723_200009817547 [0,3,0,0,0,0|1,0,0]=4 28387 B13R1.8919 O=CCOCc1c(cccc1Cl)F 7a_100000215723_200015260668 [0,3,0,0,0,0|1,0,0]=4 28388 B13R1.8919 O=CCOCc1c(cccc1F)F 34a_100000698215_200009817547 [0,3,0,0,0,0|1,0,0]=4 28389 B13R1.8919 O=CCOCc1c(cccc1F)F 7a_100000698215_200015260668 [0,3,0,0,0,0|1,0,0]=4 28390 B13R1.8919 O=CCOCc1c(cccc1I)F 34a_100010214973_200009817547 [0,3,0,0,0,0|1,0,0]=4 28391 B13R1.8919 O=CCOCc1c(cccc1I)F 7a_100010214973_200015260668 [0,3,0,0,0,0|1,0,0]=4 28392 B13R1.275 C=CC(F)(F)Sc1ccccc1Br 62a_100000695589_100009814244 [0,3,0,0,0,0|0,1,0]=4 28393 B13R1.275 C=CC(F)(F)Sc1ccccc1Br 62a_100009814244_100000695589 [0,3,0,0,0,0|0,1,0]=4 28394 B13R1.275 C=CC(F)(F)Sc1ccccc1C 62a_100000210755_100009814244 [0,3,0,0,0,0|0,1,0]=4 28395 B13R1.275 C=CC(F)(F)Sc1ccccc1C 62a_100009814244_100000210755 [0,3,0,0,0,0|0,1,0]=4 28396 B13R1.275 C=CC(F)(F)Sc1ccccc1Cl 62a_100000764095_100009814244 [0,3,0,0,0,0|0,1,0]=4 28397 B13R1.275 C=CC(F)(F)Sc1ccccc1Cl 62a_100009814244_100000764095 [0,3,0,0,0,0|0,1,0]=4 28398 B13R1.275 C=CC(F)(F)Sc1ccccc1F 62a_100009814244_100011215700 [0,3,0,0,0,0|0,1,0]=4 28399 B13R1.275 C=CC(F)(F)Sc1ccccc1F 62a_100011215700_100009814244 [0,3,0,0,0,0|0,1,0]=4 28400 B13R1.275 C=CC(F)(F)Sc1ccccc1N 62a_100000210017_100009814244 [0,3,0,0,0,0|0,1,0]=4 28401 B13R1.275 C=CC(F)(F)Sc1ccccc1N 62a_100009814244_100000210017 [0,3,0,0,0,0|0,1,0]=4 28402 B13R1.275 C=CC(F)(F)Sc1ccccc1O 62a_100000739446_100009814244 [0,3,0,0,0,0|0,1,0]=4 28403 B13R1.275 C=CC(F)(F)Sc1ccccc1O 62a_100009814244_100000739446 [0,3,0,0,0,0|0,1,0]=4 28404 B13R1.335 Cc1ccccc1OC(C=O)C=O 34a_100000210338_100000736813 [0,3,0,0,0,0|1,0,0]=4 28405 B13R1.335 Nc1ccccc1OC(C=O)C=O 34a_100000185747_100000736813 [0,3,0,0,0,0|1,0,0]=4 28406 B13R1.335 O=CC(C=O)Oc1ccccc1Br 34a_100000181306_100000736813 [0,3,0,0,0,0|1,0,0]=4 28407 B13R1.335 O=CC(C=O)Oc1ccccc1Cl 34a_100000210172_100000736813 [0,3,0,0,0,0|1,0,0]=4 28408 B13R1.335 O=CC(C=O)Oc1ccccc1F 34a_100000210171_100000736813 [0,3,0,0,0,0|1,0,0]=4 28409 B13R1.335 O=CC(C=O)Oc1ccccc1I 34a_100000739446_100000736813 [0,3,0,0,0,0|1,0,0]=4 28410 B13R1.2872 C=CC(C)Sc1cc(ccc1Br)Br 62a_100011215867_100011483371 [0,3,0,0,0,0|0,1,0]=4 28411 B13R1.2872 C=CC(C)Sc1cc(ccc1Br)C 62a_100011215867_100012353751 [0,3,0,0,0,0|0,1,0]=4 28412 B13R1.2872 C=CC(C)Sc1cc(ccc1Br)Cl 62a_100011215867_100012339723 [0,3,0,0,0,0|0,1,0]=4 28413 B13R1.2872 C=CC(C)Sc1cc(ccc1Br)F 62a_100011215867_100011217576 [0,3,0,0,0,0|0,1,0]=4 28414 B13R1.2872 C=CC(C)Sc1cc(ccc1Br)N 62a_100011215867_100000750459 [0,3,0,0,0,0|0,1,0]=4 28415 B13R1.2872 C=CC(C)Sc1cc(ccc1Br)O 62a_100011215867_100012339312 [0,3,0,0,0,0|0,1,0]=4 28416 B13R1.2872 C=CC(C)Sc1cc(ccc1C)Br 62a_100011215867_100011344865 [0,3,0,0,0,0|0,1,0]=4 28417 B13R1.2872 C=CC(C)Sc1cc(ccc1C)C 62a_100011215867_100000210833 [0,3,0,0,0,0|0,1,0]=4 28418 B13R1.2872 C=CC(C)Sc1cc(ccc1C)Cl 62a_100011215867_100011263213 [0,3,0,0,0,0|0,1,0]=4 28419 B13R1.2872 C=CC(C)Sc1cc(ccc1C)F 62a_100011215867_100011218078 [0,3,0,0,0,0|0,1,0]=4 28420 B13R1.2872 C=CC(C)Sc1cc(ccc1C)N 62a_100011215867_100000736455 [0,3,0,0,0,0|0,1,0]=4 28421 B13R1.2872 C=CC(C)Sc1cc(ccc1C)O 62a_100011215867_100011380479 [0,3,0,0,0,0|0,1,0]=4 28422 B13R1.2872 C=CC(C)Sc1cc(ccc1Cl)Br 62a_100011215867_100011772130 [0,3,0,0,0,0|0,1,0]=4 28423 B13R1.2872 C=CC(C)Sc1cc(ccc1Cl)C 62a_100011215867_100012356289 [0,3,0,0,0,0|0,1,0]=4 28424 B13R1.2872 C=CC(C)Sc1cc(ccc1Cl)Cl 62a_100011215867_100000707729 [0,3,0,0,0,0|0,1,0]=4 28425 B13R1.2872 C=CC(C)Sc1cc(ccc1Cl)F 62a_100011215867_100011217299 [0,3,0,0,0,0|0,1,0]=4 28426 B13R1.2872 C=CC(C)Sc1cc(ccc1Cl)N 62a_100011215867_100012360549 [0,3,0,0,0,0|0,1,0]=4 28427 B13R1.2872 C=CC(C)Sc1cc(ccc1Cl)O 62a_100011215867_100000049588 [0,3,0,0,0,0|0,1,0]=4 28428 B13R1.2872 C=CC(C)Sc1cc(ccc1F)Br 62a_100011215867_100011217312 [0,3,0,0,0,0|0,1,0]=4 28429 B13R1.2872 C=CC(C)Sc1cc(ccc1F)C 62a_100011215867_100000736223 [0,3,0,0,0,0|0,1,0]=4 28430 B13R1.2872 C=CC(C)Sc1cc(ccc1F)Cl 62a_100011215867_100011218116 [0,3,0,0,0,0|0,1,0]=4 28431 B13R1.2872 C=CC(C)Sc1cc(ccc1F)F 62a_100011215867_100011219198 [0,3,0,0,0,0|0,1,0]=4 28432 B13R1.2872 C=CC(C)Sc1cc(ccc1F)N 62a_100011215867_100000760356 [0,3,0,0,0,0|0,1,0]=4 28433 B13R1.2872 C=CC(C)Sc1cc(ccc1F)O 62a_100011215867_100000693481 [0,3,0,0,0,0|0,1,0]=4 28434 B13R1.2872 C=CC(C)Sc1cc(ccc1N)Br 62a_100011215867_100000187925 [0,3,0,0,0,0|0,1,0]=4 28435 B13R1.2872 C=CC(C)Sc1cc(ccc1N)C 62a_100011215867_100011356834 [0,3,0,0,0,0|0,1,0]=4 28436 B13R1.2872 C=CC(C)Sc1cc(ccc1N)Cl 62a_100011215867_100000761889 [0,3,0,0,0,0|0,1,0]=4 28437 B13R1.2872 C=CC(C)Sc1cc(ccc1N)F 62a_100011215867_100000760547 [0,3,0,0,0,0|0,1,0]=4 28438 B13R1.2872 C=CC(C)Sc1cc(ccc1N)N 62a_100011215867_100011534242 [0,3,0,0,0,0|0,1,0]=4 28439 B13R1.2872 C=CC(C)Sc1cc(ccc1N)O 62a_100011215867_100012001276 [0,3,0,0,0,0|0,1,0]=4 28440 B13R1.2872 C=CC(C)Sc1cc(ccc1O)Br 62a_100011215867_100012355227 [0,3,0,0,0,0|0,1,0]=4 28441 B13R1.2872 C=CC(C)Sc1cc(ccc1O)C 62a_100011215867_100000765521 [0,3,0,0,0,0|0,1,0]=4 28442 B13R1.2872 C=CC(C)Sc1cc(ccc1O)Cl 62a_100011215867_100011356953 [0,3,0,0,0,0|0,1,0]=4 28443 B13R1.2872 C=CC(C)Sc1cc(ccc1O)F 62a_100011215867_100000211999 [0,3,0,0,0,0|0,1,0]=4 28444 B13R1.2872 C=CC(C)Sc1cc(ccc1O)N 62a_100011215867_100011534360 [0,3,0,0,0,0|0,1,0]=4 28445 B13R1.2872 C=CC(C)Sc1cc(ccc1O)O 62a_100011215867_100009813629 [0,3,0,0,0,0|0,1,0]=4 28446 B13R1.4928 C=CC(C)Sc1c(cccc1Br)Br 62a_100011215867_100009994525 [0,3,0,0,0,0|0,1,0]=4 28447 B13R1.4928 C=CC(C)Sc1c(cccc1Br)C 62a_100011215867_100010141302 [0,3,0,0,0,0|0,1,0]=4 28448 B13R1.4928 C=CC(C)Sc1c(cccc1Br)Cl 62a_100011215867_100010214488 [0,3,0,0,0,0|0,1,0]=4 28449 B13R1.4928 C=CC(C)Sc1c(cccc1Br)F 62a_100011215867_100011219512 [0,3,0,0,0,0|0,1,0]=4 28450 B13R1.4928 C=CC(C)Sc1c(cccc1Br)N 62a_100011215867_100020590159 [0,3,0,0,0,0|0,1,0]=4 28451 B13R1.4928 C=CC(C)Sc1c(cccc1Br)O 62a_100011215867_100010187912 [0,3,0,0,0,0|0,1,0]=4 28452 B13R1.4928 C=CC(C)Sc1c(cccc1C)C 62a_100011215867_100000033847 [0,3,0,0,0,0|0,1,0]=4 28453 B13R1.4928 C=CC(C)Sc1c(cccc1Cl)C 62a_100011215867_100000043165 [0,3,0,0,0,0|0,1,0]=4 28454 B13R1.4928 C=CC(C)Sc1c(cccc1Cl)Cl 62a_100011215867_100000034237 [0,3,0,0,0,0|0,1,0]=4 28455 B13R1.4928 C=CC(C)Sc1c(cccc1Cl)F 62a_100011215867_100000050007 [0,3,0,0,0,0|0,1,0]=4 28456 B13R1.4928 C=CC(C)Sc1c(cccc1Cl)N 62a_100011215867_100000049713 [0,3,0,0,0,0|0,1,0]=4 28457 B13R1.4928 C=CC(C)Sc1c(cccc1Cl)O 62a_100011215867_100000050174 [0,3,0,0,0,0|0,1,0]=4 28458 B13R1.4928 C=CC(C)Sc1c(cccc1F)C 62a_100011215867_100011218421 [0,3,0,0,0,0|0,1,0]=4 28459 B13R1.4928 C=CC(C)Sc1c(cccc1F)F 62a_100011215867_100000693133 [0,3,0,0,0,0|0,1,0]=4 28460 B13R1.4928 C=CC(C)Sc1c(cccc1F)N 62a_100011215867_100000690935 [0,3,0,0,0,0|0,1,0]=4 28461 B13R1.4928 C=CC(C)Sc1c(cccc1F)O 62a_100011215867_100009820682 [0,3,0,0,0,0|0,1,0]=4 28462 B13R1.4928 C=CC(C)Sc1c(cccc1N)C 62a_100011215867_100000684715 [0,3,0,0,0,0|0,1,0]=4 28463 B13R1.4928 C=CC(C)Sc1c(cccc1O)C 62a_100011215867_100000686692 [0,3,0,0,0,0|0,1,0]=4 28464 B13R1.4928 C=CC(C)Sc1c(cccc1O)N 62a_100011215867_100012183704 [0,3,0,0,0,0|0,1,0]=4 28465 B13R1.4928 C=CC(C)Sc1c(cccc1O)O 62a_100011215867_100010205330 [0,3,0,0,0,0|0,1,0]=4 28466 B13R1.558 C#Cc1ccc(c(c1)NCC=C)C 2230a_100012022948_100000210623 [0,3,0,0,0,0|1,0,0]=4 28467 B13R1.558 C#Cc1ccc(c(c1)NCC=C)C 34a_100012022948_100015514636 [0,3,0,0,0,0|1,0,0]=4 28468 B13R1.558 C#Cc1ccc(c(c1)NCC=C)C 7a_100012022948_100015514636 [0,3,0,0,0,0|1,0,0]=4 28469 B13R1.558 C#Cc1ccc(c(c1)NCC=C)F 34a_100000100531_100015514636 [0,3,0,0,0,0|1,0,0]=4 28470 B13R1.558 C=CCNc1cc(ccc1Br)C#N 34a_100012001879_100015514636 [0,3,0,0,0,0|1,0,0]=4 28471 B13R1.558 C=CCNc1cc(ccc1Br)C#N 7a_100012001879_100015514636 [0,3,0,0,0,0|1,0,0]=4 28472 B13R1.558 C=CCNc1cc(ccc1Br)CO 34a_100012347568_100015514636 [0,3,0,0,0,0|1,0,0]=4 28473 B13R1.558 C=CCNc1cc(ccc1Br)OC 34a_100000748603_100015514636 [0,3,0,0,0,0|1,0,0]=4 28474 B13R1.558 C=CCNc1cc(ccc1C)C#N 34a_100000748024_100015514636 [0,3,0,0,0,0|1,0,0]=4 28475 B13R1.558 C=CCNc1cc(ccc1C)C#N 7a_100000748024_100015514636 [0,3,0,0,0,0|1,0,0]=4 28476 B13R1.558 C=CCNc1cc(ccc1C)CC 2230a_200012022522_100000210623 [0,3,0,0,0,0|1,0,0]=4 28477 B13R1.558 C=CCNc1cc(ccc1C)CC 34a_200012022522_100015514636 [0,3,0,0,0,0|1,0,0]=4 28478 B13R1.558 C=CCNc1cc(ccc1C)CC 7a_200012022522_100015514636 [0,3,0,0,0,0|1,0,0]=4 28479 B13R1.558 C=CCNc1cc(ccc1C)CO 2230a_100000758420_100000210623 [0,3,0,0,0,0|1,0,0]=4 28480 B13R1.558 C=CCNc1cc(ccc1C)CO 34a_100000758420_100015514636 [0,3,0,0,0,0|1,0,0]=4 28481 B13R1.558 C=CCNc1cc(ccc1C)OC 2230a_100000760359_100000210623 [0,3,0,0,0,0|1,0,0]=4 28482 B13R1.558 C=CCNc1cc(ccc1C)OC 34a_100000760359_100015514636 [0,3,0,0,0,0|1,0,0]=4 28483 B13R1.558 C=CCNc1cc(ccc1Cl)C#N 34a_100000766345_100015514636 [0,3,0,0,0,0|1,0,0]=4 28484 B13R1.558 C=CCNc1cc(ccc1Cl)C#N 7a_100000766345_100015514636 [0,3,0,0,0,0|1,0,0]=4 28485 B13R1.558 C=CCNc1cc(ccc1Cl)CO 34a_106256033963_100015514636 [0,3,0,0,0,0|1,0,0]=4 28486 B13R1.558 C=CCNc1cc(ccc1Cl)OC 34a_100000745576_100015514636 [0,3,0,0,0,0|1,0,0]=4 28487 B13R1.558 C=CCNc1cc(ccc1F)C#N 34a_100011934650_100015514636 [0,3,0,0,0,0|1,0,0]=4 28488 B13R1.558 C=CCNc1cc(ccc1F)C#N 7a_100011934650_100015514636 [0,3,0,0,0,0|1,0,0]=4 28489 B13R1.558 C=CCNc1cc(ccc1F)CO 2230a_102125399562_100000210623 [0,3,0,0,0,0|1,0,0]=4 28490 B13R1.558 C=CCNc1cc(ccc1F)CO 34a_102125399562_100015514636 [0,3,0,0,0,0|1,0,0]=4 28491 B13R1.558 C=CCNc1cc(ccc1F)OC 34a_100000764331_100015514636 [0,3,0,0,0,0|1,0,0]=4 28492 B13R1.558 C=CCNc1cc(ccc1I)C#N 34a_200012349464_100015514636 [0,3,0,0,0,0|1,0,0]=4 28493 B13R1.558 C=CCNc1cc(ccc1I)C#N 7a_200012349464_100015514636 [0,3,0,0,0,0|1,0,0]=4 28494 B13R1.558 C=CCNc1cc(ccc1I)OC 34a_100000748021_100015514636 [0,3,0,0,0,0|1,0,0]=4 28495 B13R1.558 C=CCNc1cc(ccc1O)C#N 34a_100000766272_100015514636 [0,3,0,0,0,0|1,0,0]=4 28496 B13R1.558 C=CCNc1cc(ccc1O)C#N 7a_100000766272_100015514636 [0,3,0,0,0,0|1,0,0]=4 28497 B13R1.558 C=CCNc1cc(ccc1O)CC 34a_100000765835_100015514636 [0,3,0,0,0,0|1,0,0]=4 28498 B13R1.558 C=CCNc1cc(ccc1O)CO 34a_100000123545_100015514636 [0,3,0,0,0,0|1,0,0]=4 28499 B13R1.558 C=CCNc1cc(ccc1O)OC 34a_100000188146_100015514636 [0,3,0,0,0,0|1,0,0]=4 28500 B13R1.558 C=CCOc1cc(ccc1Br)C#N 34a_100009877741_100015514636 [0,3,0,0,0,0|0,0,0]=3 28501 B13R1.558 C=CCOc1cc(ccc1Br)C#N 7a_100009877741_100015514636 [0,3,0,0,0,0|0,0,0]=3 28502 B13R1.558 C=CCOc1cc(ccc1Br)CO 34a_100010191536_100015514636 [0,3,0,0,0,0|0,0,0]=3 28503 B13R1.558 C=CCOc1cc(ccc1Br)CO 7a_100010191536_100015514636 [0,3,0,0,0,0|0,0,0]=3 28504 B13R1.558 C=CCOc1cc(ccc1Br)OC 34a_100000719091_100015514636 [0,3,0,0,0,0|0,0,0]=3 28505 B13R1.558 C=CCOc1cc(ccc1Br)OC 7a_100000719091_100015514636 [0,3,0,0,0,0|0,0,0]=3 28506 B13R1.558 C=CCOc1cc(ccc1C)C#N 34a_100000765541_100015514636 [0,3,0,0,0,0|0,0,0]=3 28507 B13R1.558 C=CCOc1cc(ccc1C)C#N 7a_100000765541_100015514636 [0,3,0,0,0,0|0,0,0]=3 28508 B13R1.558 C=CCOc1cc(ccc1C)OC 34a_100012179981_100015514636 [0,3,0,0,0,0|0,0,0]=3 28509 B13R1.558 C=CCOc1cc(ccc1C)OC 7a_100012179981_100015514636 [0,3,0,0,0,0|0,0,0]=3 28510 B13R1.558 C=CCOc1cc(ccc1Cl)C#N 34a_100012186312_100015514636 [0,3,0,0,0,0|0,0,0]=3 28511 B13R1.558 C=CCOc1cc(ccc1Cl)C#N 7a_100012186312_100015514636 [0,3,0,0,0,0|0,0,0]=3 28512 B13R1.558 C=CCOc1cc(ccc1Cl)CN 34a_100020636435_100015514636 [0,3,0,0,0,0|0,0,0]=3 28513 B13R1.558 C=CCOc1cc(ccc1Cl)CO 34a_100009876509_100015514636 [0,3,0,0,0,0|0,0,0]=3 28514 B13R1.558 C=CCOc1cc(ccc1Cl)CO 7a_100009876509_100015514636 [0,3,0,0,0,0|0,0,0]=3 28515 B13R1.558 C=CCOc1cc(ccc1Cl)OC 34a_100011516019_100015514636 [0,3,0,0,0,0|0,0,0]=3 28516 B13R1.558 C=CCOc1cc(ccc1Cl)OC 7a_100011516019_100015514636 [0,3,0,0,0,0|0,0,0]=3 28517 B13R1.558 C=CCOc1cc(ccc1F)C#N 34a_100000069402_100015514636 [0,3,0,0,0,0|0,0,0]=3 28518 B13R1.558 C=CCOc1cc(ccc1F)C#N 7a_100000069402_100015514636 [0,3,0,0,0,0|0,0,0]=3 28519 B13R1.558 C=CCOc1cc(ccc1F)CN 34a_100160469508_100015514636 [0,3,0,0,0,0|0,0,0]=3 28520 B13R1.558 C=CCOc1cc(ccc1F)CO 34a_100009842347_100015514636 [0,3,0,0,0,0|0,0,0]=3 28521 B13R1.558 C=CCOc1cc(ccc1F)CO 7a_100009842347_100015514636 [0,3,0,0,0,0|0,0,0]=3 28522 B13R1.558 C=CCOc1cc(ccc1F)OC 34a_100012178750_100015514636 [0,3,0,0,0,0|0,0,0]=3 28523 B13R1.558 C=CCOc1cc(ccc1F)OC 7a_100012178750_100015514636 [0,3,0,0,0,0|0,0,0]=3 28524 B13R1.558 C=CCOc1cc(ccc1I)C#N 34a_100000724445_100015514636 [0,3,0,0,0,0|0,0,0]=3 28525 B13R1.558 C=CCOc1cc(ccc1I)C#N 7a_100000724445_100015514636 [0,3,0,0,0,0|0,0,0]=3 28526 B13R1.558 C=CCOc1cc(ccc1I)CO 34a_100000049605_100015514636 [0,3,0,0,0,0|0,0,0]=3 28527 B13R1.558 C=CCOc1cc(ccc1I)CO 7a_100000049605_100015514636 [0,3,0,0,0,0|0,0,0]=3 28528 B13R1.558 C=CCOc1cc(ccc1I)OC 34a_100010168831_100015514636 [0,3,0,0,0,0|0,0,0]=3 28529 B13R1.558 C=CCOc1cc(ccc1I)OC 7a_100010168831_100015514636 [0,3,0,0,0,0|0,0,0]=3 28530 B13R1.558 C=CCOc1cc(ccc1N)C#N 34a_100011997735_100015514636 [0,3,0,0,0,0|0,0,0]=3 28531 B13R1.558 C=CCOc1cc(ccc1N)C#N 7a_100011997735_100015514636 [0,3,0,0,0,0|0,0,0]=3 28532 B13R1.558 C=CCOc1cc(ccc1N)CC 34a_100000124328_100015514636 [0,3,0,0,0,0|0,0,0]=3 28533 B13R1.558 C=CCOc1cc(ccc1N)CC 7a_100000124328_100015514636 [0,3,0,0,0,0|0,0,0]=3 28534 B13R1.558 C=CCOc1cc(ccc1N)OC 34a_100016989039_100015514636 [0,3,0,0,0,0|0,0,0]=3 28535 B13R1.558 C=CCOc1cc(ccc1N)OC 7a_100016989039_100015514636 [0,3,0,0,0,0|0,0,0]=3 28536 B13R1.558 C=CCOc1cc(ncc1Br)OC 34a_100010738159_100015514636 [0,3,0,0,0,0|1,0,0]=4 28537 B13R1.558 C=CCSc1cc(ccc1Br)C#N 62a_100000210623_100012349583 [0,3,0,0,0,0|0,1,0]=4 28538 B13R1.558 C=CCSc1cc(ccc1Br)C=O 62a_100000210623_100010146563 [0,3,0,0,0,0|0,1,0]=4 28539 B13R1.558 C=CCSc1cc(ccc1Br)C=O 62a_100010146563_100000210623 [0,3,0,0,0,0|0,1,0]=4 28540 B13R1.558 C=CCSc1cc(ccc1Br)OC 62a_100000210623_100009992028 [0,3,0,0,0,0|0,1,0]=4 28541 B13R1.558 C=CCSc1cc(ccc1Br)OC 62a_100009992028_100000210623 [0,3,0,0,0,0|0,1,0]=4 28542 B13R1.558 C=CCSc1cc(ccc1C)C#N 62a_100000210623_100000690169 [0,3,0,0,0,0|0,1,0]=4 28543 B13R1.558 C=CCSc1cc(ccc1C)C=O 62a_100000210623_100000695567 [0,3,0,0,0,0|0,1,0]=4 28544 B13R1.558 C=CCSc1cc(ccc1C)C=O 62a_100000695567_100000210623 [0,3,0,0,0,0|0,1,0]=4 28545 B13R1.558 C=CCSc1cc(ccc1C)CO 62a_100000210623_100000708995 [0,3,0,0,0,0|0,1,0]=4 28546 B13R1.558 C=CCSc1cc(ccc1C)CO 62a_100000708995_100000210623 [0,3,0,0,0,0|0,1,0]=4 28547 B13R1.558 C=CCSc1cc(ccc1C)NC 62a_100000210623_100000707694 [0,3,0,0,0,0|0,1,0]=4 28548 B13R1.558 C=CCSc1cc(ccc1C)NC 62a_100000707694_100000210623 [0,3,0,0,0,0|0,1,0]=4 28549 B13R1.558 C=CCSc1cc(ccc1C)NN 62a_100000210623_100016991967 [0,3,0,0,0,0|0,1,0]=4 28550 B13R1.558 C=CCSc1cc(ccc1C)NN 62a_100016991967_100000210623 [0,3,0,0,0,0|0,1,0]=4 28551 B13R1.558 C=CCSc1cc(ccc1C)OC 62a_100000210623_100012349166 [0,3,0,0,0,0|0,1,0]=4 28552 B13R1.558 C=CCSc1cc(ccc1C)OC 62a_100012349166_100000210623 [0,3,0,0,0,0|0,1,0]=4 28553 B13R1.558 C=CCSc1cc(ccc1Cl)C#N 62a_100000210623_100010199462 [0,3,0,0,0,0|0,1,0]=4 28554 B13R1.558 C=CCSc1cc(ccc1Cl)C=O 62a_100000210623_100010209939 [0,3,0,0,0,0|0,1,0]=4 28555 B13R1.558 C=CCSc1cc(ccc1Cl)C=O 62a_100010209939_100000210623 [0,3,0,0,0,0|0,1,0]=4 28556 B13R1.558 C=CCSc1cc(ccc1Cl)OC 62a_100000210623_100011356938 [0,3,0,0,0,0|0,1,0]=4 28557 B13R1.558 C=CCSc1cc(ccc1Cl)OC 62a_100011356938_100000210623 [0,3,0,0,0,0|0,1,0]=4 28558 B13R1.558 C=CCSc1cc(ccc1F)C#N 62a_100000210623_100000188605 [0,3,0,0,0,0|0,1,0]=4 28559 B13R1.558 C=CCSc1cc(ccc1F)C=O 62a_100000210623_100000211747 [0,3,0,0,0,0|0,1,0]=4 28560 B13R1.558 C=CCSc1cc(ccc1F)C=O 62a_100000211747_100000210623 [0,3,0,0,0,0|0,1,0]=4 28561 B13R1.558 C=CCSc1cc(ccc1F)CC 62a_100000210623_200010244628 [0,3,0,0,0,0|0,1,0]=4 28562 B13R1.558 C=CCSc1cc(ccc1F)CC 62a_200010244628_100000210623 [0,3,0,0,0,0|0,1,0]=4 28563 B13R1.558 C=CCSc1cc(ccc1F)CN 62a_100000210623_100015193890 [0,3,0,0,0,0|0,1,0]=4 28564 B13R1.558 C=CCSc1cc(ccc1F)CN 62a_100015193890_100000210623 [0,3,0,0,0,0|0,1,0]=4 28565 B13R1.558 C=CCSc1cc(ccc1F)CO 62a_100000210623_100000246287 [0,3,0,0,0,0|0,1,0]=4 28566 B13R1.558 C=CCSc1cc(ccc1F)CO 62a_100000246287_100000210623 [0,3,0,0,0,0|0,1,0]=4 28567 B13R1.558 C=CCSc1cc(ccc1F)NN 62a_100000210623_200025705588 [0,3,0,0,0,0|0,1,0]=4 28568 B13R1.558 C=CCSc1cc(ccc1F)NN 62a_200025705588_100000210623 [0,3,0,0,0,0|0,1,0]=4 28569 B13R1.558 C=CCSc1cc(ccc1F)OC 62a_100000210623_100000699733 [0,3,0,0,0,0|0,1,0]=4 28570 B13R1.558 C=CCSc1cc(ccc1F)OC 62a_100000699733_100000210623 [0,3,0,0,0,0|0,1,0]=4 28571 B13R1.558 C=CCSc1cc(ccc1F)SC 62a_100000210623_200010708804 [0,3,0,0,0,0|0,1,0]=4 28572 B13R1.558 C=CCSc1cc(ccc1F)SC 62a_200010708804_100000210623 [0,3,0,0,0,0|0,1,0]=4 28573 B13R1.558 C=CCSc1cc(ccc1N)C#N 62a_100000210623_100000736769 [0,3,0,0,0,0|0,1,0]=4 28574 B13R1.558 C=CCSc1cc(ccc1N)CC 62a_100000210623_100012339725 [0,3,0,0,0,0|0,1,0]=4 28575 B13R1.558 C=CCSc1cc(ccc1N)CC 62a_100012339725_100000210623 [0,3,0,0,0,0|0,1,0]=4 28576 B13R1.558 C=CCSc1cc(ccc1N)OC 62a_100000210623_100015195136 [0,3,0,0,0,0|0,1,0]=4 28577 B13R1.558 C=CCSc1cc(ccc1N)OC 62a_100015195136_100000210623 [0,3,0,0,0,0|0,1,0]=4 28578 B13R1.558 C=CCSc1cc(ccc1O)C#N 62a_100000210623_100000725478 [0,3,0,0,0,0|0,1,0]=4 28579 B13R1.558 C=CCSc1cc(ccc1O)C=O 62a_100000184552_100000210623 [0,3,0,0,0,0|0,1,0]=4 28580 B13R1.558 C=CCSc1cc(ccc1O)C=O 62a_100000210623_100000184552 [0,3,0,0,0,0|0,1,0]=4 28581 B13R1.558 C=CCSc1cc(ccc1O)CC 62a_100000210623_100012339963 [0,3,0,0,0,0|0,1,0]=4 28582 B13R1.558 C=CCSc1cc(ccc1O)CC 62a_100012339963_100000210623 [0,3,0,0,0,0|0,1,0]=4 28583 B13R1.558 C=CCSc1cc(ccc1O)CO 62a_100000210623_100011191544 [0,3,0,0,0,0|0,1,0]=4 28584 B13R1.558 C=CCSc1cc(ccc1O)CO 62a_100011191544_100000210623 [0,3,0,0,0,0|0,1,0]=4 28585 B13R1.558 C=CCSc1cc(ccc1O)OC 62a_100000210623_100000685887 [0,3,0,0,0,0|0,1,0]=4 28586 B13R1.558 CCc1ccc(c(c1)OCC=O)N 34a_100000124328_200009817547 [0,3,0,0,0,0|1,0,0]=4 28587 B13R1.558 CCc1ccc(c(c1)OCC=O)N 7a_100000124328_200015260668 [0,3,0,0,0,0|1,0,0]=4 28588 B13R1.558 COc1ccc(c(c1)OCC=O)Br 34a_100000719091_200009817547 [0,3,0,0,0,0|1,0,0]=4 28589 B13R1.558 COc1ccc(c(c1)OCC=O)Br 7a_100000719091_200015260668 [0,3,0,0,0,0|1,0,0]=4 28590 B13R1.558 COc1ccc(c(c1)OCC=O)C 34a_100012179981_200009817547 [0,3,0,0,0,0|1,0,0]=4 28591 B13R1.558 COc1ccc(c(c1)OCC=O)C 7a_100012179981_200015260668 [0,3,0,0,0,0|1,0,0]=4 28592 B13R1.558 COc1ccc(c(c1)OCC=O)Cl 34a_100011516019_200009817547 [0,3,0,0,0,0|1,0,0]=4 28593 B13R1.558 COc1ccc(c(c1)OCC=O)Cl 7a_100011516019_200015260668 [0,3,0,0,0,0|1,0,0]=4 28594 B13R1.558 COc1ccc(c(c1)OCC=O)F 34a_100012178750_200009817547 [0,3,0,0,0,0|1,0,0]=4 28595 B13R1.558 COc1ccc(c(c1)OCC=O)F 7a_100012178750_200015260668 [0,3,0,0,0,0|1,0,0]=4 28596 B13R1.558 COc1ccc(c(c1)OCC=O)I 34a_100010168831_200009817547 [0,3,0,0,0,0|1,0,0]=4 28597 B13R1.558 COc1ccc(c(c1)OCC=O)I 7a_100010168831_200015260668 [0,3,0,0,0,0|1,0,0]=4 28598 B13R1.558 COc1ccc(c(c1)OCC=O)N 34a_100016989039_200009817547 [0,3,0,0,0,0|1,0,0]=4 28599 B13R1.558 COc1ccc(c(c1)OCC=O)N 7a_100016989039_200015260668 [0,3,0,0,0,0|1,0,0]=4 28600 B13R1.558 Cc1ccc(cc1OCC=O)C#N 34a_100000765541_200009817547 [0,3,0,0,0,0|1,0,0]=4 28601 B13R1.558 Cc1ccc(cc1OCC=O)C#N 7a_100000765541_200015260668 [0,3,0,0,0,0|1,0,0]=4 28602 B13R1.558 N#Cc1ccc(c(c1)OCC=O)Br 34a_100009877741_200009817547 [0,3,0,0,0,0|1,0,0]=4 28603 B13R1.558 N#Cc1ccc(c(c1)OCC=O)Br 7a_100009877741_200015260668 [0,3,0,0,0,0|1,0,0]=4 28604 B13R1.558 N#Cc1ccc(c(c1)OCC=O)Cl 34a_100012186312_200009817547 [0,3,0,0,0,0|1,0,0]=4 28605 B13R1.558 N#Cc1ccc(c(c1)OCC=O)Cl 7a_100012186312_200015260668 [0,3,0,0,0,0|1,0,0]=4 28606 B13R1.558 N#Cc1ccc(c(c1)OCC=O)F 34a_100000069402_200009817547 [0,3,0,0,0,0|1,0,0]=4 28607 B13R1.558 N#Cc1ccc(c(c1)OCC=O)F 7a_100000069402_200015260668 [0,3,0,0,0,0|1,0,0]=4 28608 B13R1.558 N#Cc1ccc(c(c1)OCC=O)I 34a_100000724445_200009817547 [0,3,0,0,0,0|1,0,0]=4 28609 B13R1.558 N#Cc1ccc(c(c1)OCC=O)I 7a_100000724445_200015260668 [0,3,0,0,0,0|1,0,0]=4 28610 B13R1.558 N#Cc1ccc(c(c1)OCC=O)N 34a_100011997735_200009817547 [0,3,0,0,0,0|1,0,0]=4 28611 B13R1.558 N#Cc1ccc(c(c1)OCC=O)N 7a_100011997735_200015260668 [0,3,0,0,0,0|1,0,0]=4 28612 B13R1.558 NCc1ccc(c(c1)OCC=O)Cl 34a_100020636435_200009817547 [0,3,0,0,0,0|1,0,0]=4 28613 B13R1.558 NCc1ccc(c(c1)OCC=O)F 34a_100160469508_200009817547 [0,3,0,0,0,0|1,0,0]=4 28614 B13R1.558 O=CCOc1cc(ccc1Br)CO 34a_100010191536_200009817547 [0,3,0,0,0,0|1,0,0]=4 28615 B13R1.558 O=CCOc1cc(ccc1Br)CO 7a_100010191536_200015260668 [0,3,0,0,0,0|1,0,0]=4 28616 B13R1.558 O=CCOc1cc(ccc1Cl)CO 34a_100009876509_200009817547 [0,3,0,0,0,0|1,0,0]=4 28617 B13R1.558 O=CCOc1cc(ccc1Cl)CO 7a_100009876509_200015260668 [0,3,0,0,0,0|1,0,0]=4 28618 B13R1.558 O=CCOc1cc(ccc1F)CO 34a_100009842347_200009817547 [0,3,0,0,0,0|1,0,0]=4 28619 B13R1.558 O=CCOc1cc(ccc1F)CO 7a_100009842347_200015260668 [0,3,0,0,0,0|1,0,0]=4 28620 B13R1.558 O=CCOc1cc(ccc1I)CO 34a_100000049605_200009817547 [0,3,0,0,0,0|1,0,0]=4 28621 B13R1.558 O=CCOc1cc(ccc1I)CO 7a_100000049605_200015260668 [0,3,0,0,0,0|1,0,0]=4 28622 B13R1.6 C/C=C/CNCc1cccc(c1)Br 34a_100000174977_100102629194 [0,3,0,0,0,0|1,0,0]=4 28623 B13R1.6 C/C=C/CNCc1cccc(c1)C 34a_100000185548_100102629194 [0,3,0,0,0,0|1,0,0]=4 28624 B13R1.6 C/C=C/CNCc1cccc(c1)Cl 34a_100000174878_100102629194 [0,3,0,0,0,0|1,0,0]=4 28625 B13R1.6 C/C=C/CNCc1cccc(c1)F 34a_100000174948_100102629194 [0,3,0,0,0,0|1,0,0]=4 28626 B13R1.6 C/C=C/CNCc1cccc(c1)I 34a_100000106179_100102629194 [0,3,0,0,0,0|1,0,0]=4 28627 B13R1.6 C/C=C/CNCc1cccc(c1)O 34a_100000743036_100102629194 [0,3,0,0,0,0|1,0,0]=4 28628 B13R1.6 C/C=C/COCc1cc(ccn1)Br 34a_100016270725_100010173614 [0,3,0,0,0,0|1,0,0]=4 28629 B13R1.6 C/C=C/COCc1cc(ccn1)C 34a_100011998357_100102629194 [0,3,0,0,0,0|1,0,0]=4 28630 B13R1.6 C/C=C/COCc1cc(ccn1)C 34a_100016270725_100000718516 [0,3,0,0,0,0|1,0,0]=4 28631 B13R1.6 C/C=C/COCc1cc(ccn1)Cl 34a_100000748867_100102629194 [0,3,0,0,0,0|1,0,0]=4 28632 B13R1.6 C/C=C/COCc1cc(ccn1)Cl 34a_100016270725_100016988179 [0,3,0,0,0,0|1,0,0]=4 28633 B13R1.6 C/C=C/COCc1cc(ccn1)N 34a_100000692640_100102629194 [0,3,0,0,0,0|1,0,0]=4 28634 B13R1.6 C/C=C/COCc1ccc[n+](c1)[O-] 34a_100000037817_100102629194 [0,3,0,0,0,0|1,0,0]=4 28635 B13R1.6 C/C=C/COCc1ccc[n+](c1)[O-] 7a_100000037817_100102629194 [0,3,0,0,0,0|1,0,0]=4 28636 B13R1.6 C/C=C/COCc1cccc(c1)Br 34a_100000687537_100102629194 [0,3,0,0,0,0|0,0,0]=3 28637 B13R1.6 C/C=C/COCc1cccc(c1)Br 34a_100016270725_100000698116 [0,3,0,0,0,0|0,0,0]=3 28638 B13R1.6 C/C=C/COCc1cccc(c1)Br 7a_100000687537_100102629194 [0,3,0,0,0,0|0,0,0]=3 28639 B13R1.6 C/C=C/COCc1cccc(c1)C 34a_100011217746_100102629194 [0,3,0,0,0,0|0,0,0]=3 28640 B13R1.6 C/C=C/COCc1cccc(c1)C 34a_100016270725_100000211840 [0,3,0,0,0,0|0,0,0]=3 28641 B13R1.6 C/C=C/COCc1cccc(c1)C 7a_100011217746_100102629194 [0,3,0,0,0,0|0,0,0]=3 28642 B13R1.6 C/C=C/COCc1cccc(c1)Cl 34a_100000241301_100102629194 [0,3,0,0,0,0|0,0,0]=3 28643 B13R1.6 C/C=C/COCc1cccc(c1)Cl 34a_100016270725_100000187163 [0,3,0,0,0,0|0,0,0]=3 28644 B13R1.6 C/C=C/COCc1cccc(c1)Cl 7a_100000241301_100102629194 [0,3,0,0,0,0|0,0,0]=3 28645 B13R1.6 C/C=C/COCc1cccc(c1)F 34a_100000210976_100102629194 [0,3,0,0,0,0|0,0,0]=3 28646 B13R1.6 C/C=C/COCc1cccc(c1)F 34a_100016270725_100000187166 [0,3,0,0,0,0|0,0,0]=3 28647 B13R1.6 C/C=C/COCc1cccc(c1)F 7a_100000210976_100102629194 [0,3,0,0,0,0|0,0,0]=3 28648 B13R1.6 C/C=C/COCc1cccc(c1)I 34a_100011215336_100102629194 [0,3,0,0,0,0|0,0,0]=3 28649 B13R1.6 C/C=C/COCc1cccc(c1)I 34a_100016270725_100011218688 [0,3,0,0,0,0|0,0,0]=3 28650 B13R1.6 C/C=C/COCc1cccc(c1)I 7a_100011215336_100102629194 [0,3,0,0,0,0|0,0,0]=3 28651 B13R1.6 C/C=C/COCc1cccc(c1)N 34a_100000211919_100102629194 [0,3,0,0,0,0|0,0,0]=3 28652 B13R1.6 C/C=C/COCc1cccc(c1)O 34a_100016270725_100011660834 [0,3,0,0,0,0|0,0,0]=3 28653 B13R1.6 C/C=C/COCc1cccc(n1)Br 34a_100000694195_100102629194 [0,3,0,0,0,0|1,0,0]=4 28654 B13R1.6 C/C=C/COCc1cccc(n1)Br 34a_100016270725_100009889011 [0,3,0,0,0,0|1,0,0]=4 28655 B13R1.6 C/C=C/COCc1cccc(n1)C 34a_100000690600_100102629194 [0,3,0,0,0,0|1,0,0]=4 28656 B13R1.6 C/C=C/COCc1cccc(n1)C 34a_100016270725_100000757606 [0,3,0,0,0,0|1,0,0]=4 28657 B13R1.6 C/C=C/COCc1cccc(n1)Cl 34a_100011998359_100102629194 [0,3,0,0,0,0|1,0,0]=4 28658 B13R1.6 C/C=C/COCc1cccc(n1)Cl 34a_100016270725_100000086093 [0,3,0,0,0,0|1,0,0]=4 28659 B13R1.6 C/C=C/COCc1cccc(n1)F 34a_100000086748_100102629194 [0,3,0,0,0,0|1,0,0]=4 28660 B13R1.6 C/C=C/COCc1cccc(n1)F 34a_100016270725_100009819644 [0,3,0,0,0,0|1,0,0]=4 28661 B13R1.6 C/C=C/COCc1ccnc(c1)Br 34a_100009814636_100102629194 [0,3,0,0,0,0|1,0,0]=4 28662 B13R1.6 C/C=C/COCc1ccnc(c1)Br 34a_100016270725_100010243470 [0,3,0,0,0,0|1,0,0]=4 28663 B13R1.6 C/C=C/COCc1ccnc(c1)Br 7a_100009814636_100102629194 [0,3,0,0,0,0|1,0,0]=4 28664 B13R1.6 C/C=C/COCc1ccnc(c1)C 34a_100011998630_100102629194 [0,3,0,0,0,0|1,0,0]=4 28665 B13R1.6 C/C=C/COCc1ccnc(c1)C 34a_100016270725_200020672517 [0,3,0,0,0,0|1,0,0]=4 28666 B13R1.6 C/C=C/COCc1ccnc(c1)Cl 34a_100000748751_100102629194 [0,3,0,0,0,0|1,0,0]=4 28667 B13R1.6 C/C=C/COCc1ccnc(c1)Cl 34a_100016270725_100000764220 [0,3,0,0,0,0|1,0,0]=4 28668 B13R1.6 C/C=C/COCc1ccnc(c1)F 34a_100000082451_100102629194 [0,3,0,0,0,0|1,0,0]=4 28669 B13R1.6 C/C=C/COCc1cncc(c1)Br 34a_100011259137_100102629194 [0,3,0,0,0,0|1,0,0]=4 28670 B13R1.6 C/C=C/COCc1cncc(c1)Br 34a_100016270725_100000738771 [0,3,0,0,0,0|1,0,0]=4 28671 B13R1.6 C/C=C/COCc1cncc(c1)Br 7a_100011259137_100102629194 [0,3,0,0,0,0|1,0,0]=4 28672 B13R1.6 C/C=C/COCc1cncc(c1)C 34a_100011998709_100102629194 [0,3,0,0,0,0|1,0,0]=4 28673 B13R1.6 C/C=C/COCc1cncc(c1)C 34a_100016270725_100000716715 [0,3,0,0,0,0|1,0,0]=4 28674 B13R1.6 C/C=C/COCc1cncc(c1)C 7a_100011998709_100102629194 [0,3,0,0,0,0|1,0,0]=4 28675 B13R1.6 C/C=C/COCc1cncc(c1)Cl 34a_100000092867_100102629194 [0,3,0,0,0,0|1,0,0]=4 28676 B13R1.6 C/C=C/COCc1cncc(c1)Cl 34a_100016270725_100016992070 [0,3,0,0,0,0|1,0,0]=4 28677 B13R1.6 C/C=C/COCc1cncc(c1)Cl 7a_100000092867_100102629194 [0,3,0,0,0,0|1,0,0]=4 28678 B13R1.6 C/C=C/COCc1cncc(c1)F 34a_100011962875_100102629194 [0,3,0,0,0,0|1,0,0]=4 28679 B13R1.6 C/C=C/COCc1cncc(c1)F 34a_100016270725_100000725299 [0,3,0,0,0,0|1,0,0]=4 28680 B13R1.6 C/C=C/COCc1cncc(c1)F 7a_100011962875_100102629194 [0,3,0,0,0,0|1,0,0]=4 28681 B13R1.6 C/C=C/COCc1cncc(c1)N 34a_100000085308_100102629194 [0,3,0,0,0,0|1,0,0]=4 28682 B13R1.6 C/C=C/CSCc1cccc(c1)Br 62a_100000211773_100102629194 [0,3,0,0,0,0|0,1,0]=4 28683 B13R1.6 C/C=C/CSCc1cccc(c1)Br 62a_100102629194_100000211773 [0,3,0,0,0,0|0,1,0]=4 28684 B13R1.6 C/C=C/CSCc1cccc(c1)C 62a_100000211840_100102629194 [0,3,0,0,0,0|0,1,0]=4 28685 B13R1.6 C/C=C/CSCc1cccc(c1)C 62a_100102629194_100000211840 [0,3,0,0,0,0|0,1,0]=4 28686 B13R1.6 C/C=C/CSCc1cccc(c1)Cl 62a_100000187163_100102629194 [0,3,0,0,0,0|0,1,0]=4 28687 B13R1.6 C/C=C/CSCc1cccc(c1)Cl 62a_100102629194_100000187163 [0,3,0,0,0,0|0,1,0]=4 28688 B13R1.6 C/C=C/CSCc1cccc(c1)F 62a_100000230114_100102629194 [0,3,0,0,0,0|0,1,0]=4 28689 B13R1.6 C/C=C/CSCc1cccc(c1)F 62a_100102629194_100000230114 [0,3,0,0,0,0|0,1,0]=4 28690 B13R1.6 C/C=C/CSCc1cccc(c1)I 62a_100011218688_100102629194 [0,3,0,0,0,0|0,1,0]=4 28691 B13R1.6 C/C=C/CSCc1cccc(c1)I 62a_100102629194_100011218688 [0,3,0,0,0,0|0,1,0]=4 28692 B13R1.6 C/C=C/CSCc1cccc(c1)O 62a_100011660834_100102629194 [0,3,0,0,0,0|0,1,0]=4 28693 B13R1.6 C/C=C/CSCc1cccc(c1)O 62a_100102629194_100011660834 [0,3,0,0,0,0|0,1,0]=4 28694 B13R1.6 C=CCCCNc1cccc(c1)Br 34a_100000210019_100000757094 [0,3,0,0,0,0|1,0,0]=4 28695 B13R1.6 C=CCCCNc1cccc(c1)C 2230a_100000188690_100011713584 [0,3,0,0,0,0|1,0,0]=4 28696 B13R1.6 C=CCCCNc1cccc(c1)C 34a_100000188690_100000757094 [0,3,0,0,0,0|1,0,0]=4 28697 B13R1.6 C=CCCCNc1cccc(c1)Cl 34a_100000185859_100000757094 [0,3,0,0,0,0|1,0,0]=4 28698 B13R1.6 C=CCCCNc1cccc(c1)F 34a_100000210047_100000757094 [0,3,0,0,0,0|1,0,0]=4 28699 B13R1.6 C=CCCCNc1cccc(c1)I 34a_100000211102_100000757094 [0,3,0,0,0,0|1,0,0]=4 28700 B13R1.6 C=CCCCNc1cccc(c1)O 34a_100000210217_100000757094 [0,3,0,0,0,0|1,0,0]=4 28701 B13R1.6 C=CCCCOc1cc[nH]c(=O)c1 34a_100000032262_100000757094 [0,3,0,0,0,0|1,0,0]=4 28702 B13R1.6 C=CCCCOc1ccc[n+](c1)[O-] 34a_100000039713_100000757094 [0,3,0,0,0,0|1,0,0]=4 28703 B13R1.6 C=CCCCOc1ccc[n+](c1)[O-] 7a_100000039713_100000757094 [0,3,0,0,0,0|1,0,0]=4 28704 B13R1.6 C=CCCCOc1cccc(=O)[nH]1 34a_100000033347_100000757094 [0,3,0,0,0,0|1,0,0]=4 28705 B13R1.6 C=CCCCOc1cccc(c1)Br 34a_100000210342_100000757094 [0,3,0,0,0,0|0,0,0]=3 28706 B13R1.6 C=CCCCOc1cccc(c1)Br 7a_100000210342_100000757094 [0,3,0,0,0,0|0,0,0]=3 28707 B13R1.6 C=CCCCOc1cccc(c1)C 34a_100000210337_100000757094 [0,3,0,0,0,0|0,0,0]=3 28708 B13R1.6 C=CCCCOc1cccc(c1)C 7a_100000210337_100000757094 [0,3,0,0,0,0|0,0,0]=3 28709 B13R1.6 C=CCCCOc1cccc(c1)Cl 34a_100000210295_100000757094 [0,3,0,0,0,0|0,0,0]=3 28710 B13R1.6 C=CCCCOc1cccc(c1)Cl 7a_100000210295_100000757094 [0,3,0,0,0,0|0,0,0]=3 28711 B13R1.6 C=CCCCOc1cccc(c1)F 34a_100000210426_100000757094 [0,3,0,0,0,0|0,0,0]=3 28712 B13R1.6 C=CCCCOc1cccc(c1)F 7a_100000210426_100000757094 [0,3,0,0,0,0|0,0,0]=3 28713 B13R1.6 C=CCCCOc1cccc(c1)I 34a_100000211634_100000757094 [0,3,0,0,0,0|0,0,0]=3 28714 B13R1.6 C=CCCCOc1cccc(c1)I 7a_100000211634_100000757094 [0,3,0,0,0,0|0,0,0]=3 28715 B13R1.6 C=CCCCOc1cccc(c1)N 34a_100000210217_100000757094 [0,3,0,0,0,0|0,0,0]=3 28716 B13R1.6 C=CCCCOc1cccc(n1)F 34a_100011432558_100000757094 [0,3,0,0,0,0|1,0,0]=4 28717 B13R1.6 C=CCCCOc1ccnc(c1)C 34a_100000688365_100000757094 [0,3,0,0,0,0|1,0,0]=4 28718 B13R1.6 C=CCCCOc1ccnc(c1)Cl 34a_100000762945_100000757094 [0,3,0,0,0,0|1,0,0]=4 28719 B13R1.6 C=CCCCOc1ccnc(c1)F 34a_100000732698_100000757094 [0,3,0,0,0,0|1,0,0]=4 28720 B13R1.6 C=CCCCOc1ccnc(c1)N 34a_100011834064_100000757094 [0,3,0,0,0,0|1,0,0]=4 28721 B13R1.6 C=CCCCOc1cncc(c1)Br 34a_100000754920_100000757094 [0,3,0,0,0,0|1,0,0]=4 28722 B13R1.6 C=CCCCOc1cncc(c1)Br 7a_100000754920_100000757094 [0,3,0,0,0,0|1,0,0]=4 28723 B13R1.6 C=CCCCOc1cncc(c1)C 34a_100011830280_100000757094 [0,3,0,0,0,0|1,0,0]=4 28724 B13R1.6 C=CCCCOc1cncc(c1)C 7a_100011830280_100000757094 [0,3,0,0,0,0|1,0,0]=4 28725 B13R1.6 C=CCCCOc1cncc(c1)Cl 7a_100000032511_100000757094 [0,3,0,0,0,0|1,0,0]=4 28726 B13R1.6 C=CCCCOc1cncc(c1)F 34a_100011830296_100000757094 [0,3,0,0,0,0|1,0,0]=4 28727 B13R1.6 C=CCCCOc1cncc(c1)F 7a_100011830296_100000757094 [0,3,0,0,0,0|1,0,0]=4 28728 B13R1.6 C=CCCCOc1cncc(c1)N 34a_100011997051_100000757094 [0,3,0,0,0,0|1,0,0]=4 28729 B13R1.6 C=CCCCSc1cccc(c1)Br 62a_100000691529_100000757094 [0,3,0,0,0,0|0,1,0]=4 28730 B13R1.6 C=CCCCSc1cccc(c1)Br 62a_100011713584_100000691529 [0,3,0,0,0,0|0,1,0]=4 28731 B13R1.6 C=CCCCSc1cccc(c1)C 62a_100011215228_100000757094 [0,3,0,0,0,0|0,1,0]=4 28732 B13R1.6 C=CCCCSc1cccc(c1)C 62a_100011713584_100011215228 [0,3,0,0,0,0|0,1,0]=4 28733 B13R1.6 C=CCCCSc1cccc(c1)Cl 62a_100000699651_100000757094 [0,3,0,0,0,0|0,1,0]=4 28734 B13R1.6 C=CCCCSc1cccc(c1)Cl 62a_100011713584_100000699651 [0,3,0,0,0,0|0,1,0]=4 28735 B13R1.6 C=CCCCSc1cccc(c1)F 62a_100000685547_100000757094 [0,3,0,0,0,0|0,1,0]=4 28736 B13R1.6 C=CCCCSc1cccc(c1)F 62a_100011713584_100000685547 [0,3,0,0,0,0|0,1,0]=4 28737 B13R1.6 C=CCCCSc1cccc(c1)N 62a_100000210019_100000757094 [0,3,0,0,0,0|0,1,0]=4 28738 B13R1.6 C=CCCCSc1cccc(c1)N 62a_100011713584_100000210019 [0,3,0,0,0,0|0,1,0]=4 28739 B13R1.6 C=CCCCSc1cccc(c1)O 62a_100011713584_100000211634 [0,3,0,0,0,0|0,1,0]=4 28740 B13R1.6 C=CCCCSc1cccc(c1)[S] 62a_100011713584_114929384022 [0,3,0,0,0,0|0,1,0]=4 28741 B13R1.6 C=CCCCSc1cccc(c1)[S] 62a_114929384022_100000757094 [0,3,0,0,0,0|0,1,0]=4 28742 B13R1.6 C=CCCNCc1cccc(c1)Br 207a_100015191253_100000210085 [0,3,0,0,0,0|1,0,0]=4 28743 B13R1.6 C=CCCNCc1cccc(c1)Br 2230a_100000174977_100000754431 [0,3,0,0,0,0|1,0,0]=4 28744 B13R1.6 C=CCCNCc1cccc(c1)Br 2230a_100015191253_100000698116 [0,3,0,0,0,0|1,0,0]=4 28745 B13R1.6 C=CCCNCc1cccc(c1)Br 270004a_100015191253_100000210085 [0,3,0,0,0,0|1,0,0]=4 28746 B13R1.6 C=CCCNCc1cccc(c1)Br 34a_100000174977_100000754431 [0,3,0,0,0,0|1,0,0]=4 28747 B13R1.6 C=CCCNCc1cccc(c1)C 207a_100015191253_100000211157 [0,3,0,0,0,0|1,0,0]=4 28748 B13R1.6 C=CCCNCc1cccc(c1)C 2230a_100000185548_100000754431 [0,3,0,0,0,0|1,0,0]=4 28749 B13R1.6 C=CCCNCc1cccc(c1)C 2230a_100015191253_100000211840 [0,3,0,0,0,0|1,0,0]=4 28750 B13R1.6 C=CCCNCc1cccc(c1)C 270004a_100015191253_100000211157 [0,3,0,0,0,0|1,0,0]=4 28751 B13R1.6 C=CCCNCc1cccc(c1)C 34a_100000185548_100000754431 [0,3,0,0,0,0|1,0,0]=4 28752 B13R1.6 C=CCCNCc1cccc(c1)Cl 207a_100015191253_100000210801 [0,3,0,0,0,0|1,0,0]=4 28753 B13R1.6 C=CCCNCc1cccc(c1)Cl 2230a_100000174878_100000754431 [0,3,0,0,0,0|1,0,0]=4 28754 B13R1.6 C=CCCNCc1cccc(c1)Cl 2230a_100015191253_100000181238 [0,3,0,0,0,0|1,0,0]=4 28755 B13R1.6 C=CCCNCc1cccc(c1)Cl 270004a_100015191253_100000210801 [0,3,0,0,0,0|1,0,0]=4 28756 B13R1.6 C=CCCNCc1cccc(c1)Cl 34a_100000174878_100000754431 [0,3,0,0,0,0|1,0,0]=4 28757 B13R1.6 C=CCCNCc1cccc(c1)F 207a_100015191253_100000210812 [0,3,0,0,0,0|1,0,0]=4 28758 B13R1.6 C=CCCNCc1cccc(c1)F 2230a_100000174948_100000754431 [0,3,0,0,0,0|1,0,0]=4 28759 B13R1.6 C=CCCNCc1cccc(c1)F 2230a_100015191253_100000230114 [0,3,0,0,0,0|1,0,0]=4 28760 B13R1.6 C=CCCNCc1cccc(c1)F 270004a_100015191253_100000210812 [0,3,0,0,0,0|1,0,0]=4 28761 B13R1.6 C=CCCNCc1cccc(c1)F 34a_100000174948_100000754431 [0,3,0,0,0,0|1,0,0]=4 28762 B13R1.6 C=CCCNCc1cccc(c1)I 207a_100015191253_100000014684 [0,3,0,0,0,0|1,0,0]=4 28763 B13R1.6 C=CCCNCc1cccc(c1)I 2230a_100000106179_100000754431 [0,3,0,0,0,0|1,0,0]=4 28764 B13R1.6 C=CCCNCc1cccc(c1)I 2230a_100015191253_100011218688 [0,3,0,0,0,0|1,0,0]=4 28765 B13R1.6 C=CCCNCc1cccc(c1)I 270004a_100015191253_100000014684 [0,3,0,0,0,0|1,0,0]=4 28766 B13R1.6 C=CCCNCc1cccc(c1)I 34a_100000106179_100000754431 [0,3,0,0,0,0|1,0,0]=4 28767 B13R1.6 C=CCCNCc1cccc(c1)O 207a_100015191253_100000188321 [0,3,0,0,0,0|1,0,0]=4 28768 B13R1.6 C=CCCNCc1cccc(c1)O 2230a_100000743036_100000754431 [0,3,0,0,0,0|1,0,0]=4 28769 B13R1.6 C=CCCNCc1cccc(c1)O 2230a_100015191253_100011660834 [0,3,0,0,0,0|1,0,0]=4 28770 B13R1.6 C=CCCNCc1cccc(c1)O 270004a_100015191253_100000188321 [0,3,0,0,0,0|1,0,0]=4 28771 B13R1.6 C=CCCNCc1cccc(c1)O 34a_100000743036_100000754431 [0,3,0,0,0,0|1,0,0]=4 28772 B13R1.6 C=CCCOCc1cc(ccn1)Br 34a_100011205117_100010173614 [0,3,0,0,0,0|1,0,0]=4 28773 B13R1.6 C=CCCOCc1cc(ccn1)C 34a_100011205117_100000718516 [0,3,0,0,0,0|1,0,0]=4 28774 B13R1.6 C=CCCOCc1cc(ccn1)C 34a_100011998357_100000754431 [0,3,0,0,0,0|1,0,0]=4 28775 B13R1.6 C=CCCOCc1cc(ccn1)Cl 34a_100000748867_100000754431 [0,3,0,0,0,0|1,0,0]=4 28776 B13R1.6 C=CCCOCc1cc(ccn1)Cl 34a_100011205117_100016988179 [0,3,0,0,0,0|1,0,0]=4 28777 B13R1.6 C=CCCOCc1cc(ccn1)N 34a_100000692640_100000754431 [0,3,0,0,0,0|1,0,0]=4 28778 B13R1.6 C=CCCOCc1ccc[n+](c1)[O-] 34a_100000037817_100000754431 [0,3,0,0,0,0|1,0,0]=4 28779 B13R1.6 C=CCCOCc1ccc[n+](c1)[O-] 7a_100000037817_100000754431 [0,3,0,0,0,0|1,0,0]=4 28780 B13R1.6 C=CCCOCc1cccc(c1)Br 34a_100000687537_100000754431 [0,3,0,0,0,0|0,0,0]=3 28781 B13R1.6 C=CCCOCc1cccc(c1)Br 34a_100011205117_100000698116 [0,3,0,0,0,0|0,0,0]=3 28782 B13R1.6 C=CCCOCc1cccc(c1)Br 7a_100000687537_100000754431 [0,3,0,0,0,0|0,0,0]=3 28783 B13R1.6 C=CCCOCc1cccc(c1)C 34a_100011205117_100000211840 [0,3,0,0,0,0|0,0,0]=3 28784 B13R1.6 C=CCCOCc1cccc(c1)C 34a_100011217746_100000754431 [0,3,0,0,0,0|0,0,0]=3 28785 B13R1.6 C=CCCOCc1cccc(c1)C 7a_100011217746_100000754431 [0,3,0,0,0,0|0,0,0]=3 28786 B13R1.6 C=CCCOCc1cccc(c1)Cl 34a_100000241301_100000754431 [0,3,0,0,0,0|0,0,0]=3 28787 B13R1.6 C=CCCOCc1cccc(c1)Cl 34a_100011205117_100000187163 [0,3,0,0,0,0|0,0,0]=3 28788 B13R1.6 C=CCCOCc1cccc(c1)Cl 7a_100000241301_100000754431 [0,3,0,0,0,0|0,0,0]=3 28789 B13R1.6 C=CCCOCc1cccc(c1)F 34a_100000210976_100000754431 [0,3,0,0,0,0|0,0,0]=3 28790 B13R1.6 C=CCCOCc1cccc(c1)F 34a_100011205117_100000187166 [0,3,0,0,0,0|0,0,0]=3 28791 B13R1.6 C=CCCOCc1cccc(c1)F 7a_100000210976_100000754431 [0,3,0,0,0,0|0,0,0]=3 28792 B13R1.6 C=CCCOCc1cccc(c1)I 34a_100011205117_100011218688 [0,3,0,0,0,0|0,0,0]=3 28793 B13R1.6 C=CCCOCc1cccc(c1)I 34a_100011215336_100000754431 [0,3,0,0,0,0|0,0,0]=3 28794 B13R1.6 C=CCCOCc1cccc(c1)I 7a_100011215336_100000754431 [0,3,0,0,0,0|0,0,0]=3 28795 B13R1.6 C=CCCOCc1cccc(c1)N 34a_100000211919_100000754431 [0,3,0,0,0,0|0,0,0]=3 28796 B13R1.6 C=CCCOCc1cccc(c1)O 34a_100011205117_100011660834 [0,3,0,0,0,0|0,0,0]=3 28797 B13R1.6 C=CCCOCc1cccc(n1)Br 34a_100000694195_100000754431 [0,3,0,0,0,0|1,0,0]=4 28798 B13R1.6 C=CCCOCc1cccc(n1)Br 34a_100011205117_100009889011 [0,3,0,0,0,0|1,0,0]=4 28799 B13R1.6 C=CCCOCc1cccc(n1)C 34a_100000690600_100000754431 [0,3,0,0,0,0|1,0,0]=4 28800 B13R1.6 C=CCCOCc1cccc(n1)C 34a_100011205117_100000757606 [0,3,0,0,0,0|1,0,0]=4 28801 B13R1.6 C=CCCOCc1cccc(n1)Cl 34a_100011205117_100000086093 [0,3,0,0,0,0|1,0,0]=4 28802 B13R1.6 C=CCCOCc1cccc(n1)Cl 34a_100011998359_100000754431 [0,3,0,0,0,0|1,0,0]=4 28803 B13R1.6 C=CCCOCc1cccc(n1)F 34a_100000086748_100000754431 [0,3,0,0,0,0|1,0,0]=4 28804 B13R1.6 C=CCCOCc1cccc(n1)F 34a_100011205117_100009819644 [0,3,0,0,0,0|1,0,0]=4 28805 B13R1.6 C=CCCOCc1ccnc(c1)Br 34a_100009814636_100000754431 [0,3,0,0,0,0|1,0,0]=4 28806 B13R1.6 C=CCCOCc1ccnc(c1)Br 34a_100011205117_100010243470 [0,3,0,0,0,0|1,0,0]=4 28807 B13R1.6 C=CCCOCc1ccnc(c1)Br 7a_100009814636_100000754431 [0,3,0,0,0,0|1,0,0]=4 28808 B13R1.6 C=CCCOCc1ccnc(c1)C 34a_100011205117_200020672517 [0,3,0,0,0,0|1,0,0]=4 28809 B13R1.6 C=CCCOCc1ccnc(c1)C 34a_100011998630_100000754431 [0,3,0,0,0,0|1,0,0]=4 28810 B13R1.6 C=CCCOCc1ccnc(c1)Cl 34a_100000748751_100000754431 [0,3,0,0,0,0|1,0,0]=4 28811 B13R1.6 C=CCCOCc1ccnc(c1)Cl 34a_100011205117_100000764220 [0,3,0,0,0,0|1,0,0]=4 28812 B13R1.6 C=CCCOCc1ccnc(c1)F 34a_100000082451_100000754431 [0,3,0,0,0,0|1,0,0]=4 28813 B13R1.6 C=CCCOCc1cncc(c1)Br 34a_100011205117_100000738771 [0,3,0,0,0,0|1,0,0]=4 28814 B13R1.6 C=CCCOCc1cncc(c1)Br 34a_100011259137_100000754431 [0,3,0,0,0,0|1,0,0]=4 28815 B13R1.6 C=CCCOCc1cncc(c1)Br 7a_100011259137_100000754431 [0,3,0,0,0,0|1,0,0]=4 28816 B13R1.6 C=CCCOCc1cncc(c1)C 34a_100011205117_100000716715 [0,3,0,0,0,0|1,0,0]=4 28817 B13R1.6 C=CCCOCc1cncc(c1)C 34a_100011998709_100000754431 [0,3,0,0,0,0|1,0,0]=4 28818 B13R1.6 C=CCCOCc1cncc(c1)C 7a_100011998709_100000754431 [0,3,0,0,0,0|1,0,0]=4 28819 B13R1.6 C=CCCOCc1cncc(c1)Cl 34a_100000092867_100000754431 [0,3,0,0,0,0|1,0,0]=4 28820 B13R1.6 C=CCCOCc1cncc(c1)Cl 34a_100011205117_100016992070 [0,3,0,0,0,0|1,0,0]=4 28821 B13R1.6 C=CCCOCc1cncc(c1)Cl 7a_100000092867_100000754431 [0,3,0,0,0,0|1,0,0]=4 28822 B13R1.6 C=CCCOCc1cncc(c1)F 34a_100011205117_100000725299 [0,3,0,0,0,0|1,0,0]=4 28823 B13R1.6 C=CCCOCc1cncc(c1)F 34a_100011962875_100000754431 [0,3,0,0,0,0|1,0,0]=4 28824 B13R1.6 C=CCCOCc1cncc(c1)F 7a_100011962875_100000754431 [0,3,0,0,0,0|1,0,0]=4 28825 B13R1.6 C=CCCOCc1cncc(c1)N 34a_100000085308_100000754431 [0,3,0,0,0,0|1,0,0]=4 28826 B13R1.6 C=CCCSCc1cccc(c1)Br 62a_100000211773_100000754431 [0,3,0,0,0,0|0,1,0]=4 28827 B13R1.6 C=CCCSCc1cccc(c1)Br 62a_100000754431_100000211773 [0,3,0,0,0,0|0,1,0]=4 28828 B13R1.6 C=CCCSCc1cccc(c1)C 62a_100000211840_100000754431 [0,3,0,0,0,0|0,1,0]=4 28829 B13R1.6 C=CCCSCc1cccc(c1)C 62a_100000754431_100000211840 [0,3,0,0,0,0|0,1,0]=4 28830 B13R1.6 C=CCCSCc1cccc(c1)Cl 62a_100000187163_100000754431 [0,3,0,0,0,0|0,1,0]=4 28831 B13R1.6 C=CCCSCc1cccc(c1)Cl 62a_100000754431_100000187163 [0,3,0,0,0,0|0,1,0]=4 28832 B13R1.6 C=CCCSCc1cccc(c1)F 62a_100000230114_100000754431 [0,3,0,0,0,0|0,1,0]=4 28833 B13R1.6 C=CCCSCc1cccc(c1)F 62a_100000754431_100000230114 [0,3,0,0,0,0|0,1,0]=4 28834 B13R1.6 C=CCCSCc1cccc(c1)I 62a_100000754431_100011218688 [0,3,0,0,0,0|0,1,0]=4 28835 B13R1.6 C=CCCSCc1cccc(c1)I 62a_100011218688_100000754431 [0,3,0,0,0,0|0,1,0]=4 28836 B13R1.6 C=CCCSCc1cccc(c1)O 62a_100000754431_100011660834 [0,3,0,0,0,0|0,1,0]=4 28837 B13R1.6 C=CCCSCc1cccc(c1)O 62a_100011660834_100000754431 [0,3,0,0,0,0|0,1,0]=4 28838 B13R1.6 C=CCNCCc1cccc(c1)Br 2230a_100011207229_100000210623 [0,3,0,0,0,0|1,0,0]=4 28839 B13R1.6 C=CCNCCc1cccc(c1)Br 2230a_100020586998_100011740638 [0,3,0,0,0,0|1,0,0]=4 28840 B13R1.6 C=CCNCCc1cccc(c1)Br 34a_100011207229_100015514636 [0,3,0,0,0,0|1,0,0]=4 28841 B13R1.6 C=CCNCCc1cccc(c1)C 2230a_100000749837_100000210623 [0,3,0,0,0,0|1,0,0]=4 28842 B13R1.6 C=CCNCCc1cccc(c1)C 2230a_100020586998_100011713685 [0,3,0,0,0,0|1,0,0]=4 28843 B13R1.6 C=CCNCCc1cccc(c1)C 34a_100000749837_100015514636 [0,3,0,0,0,0|1,0,0]=4 28844 B13R1.6 C=CCNCCc1cccc(c1)Cl 2230a_100000185263_100000210623 [0,3,0,0,0,0|1,0,0]=4 28845 B13R1.6 C=CCNCCc1cccc(c1)Cl 2230a_100020586998_100011713710 [0,3,0,0,0,0|1,0,0]=4 28846 B13R1.6 C=CCNCCc1cccc(c1)Cl 34a_100000185263_100015514636 [0,3,0,0,0,0|1,0,0]=4 28847 B13R1.6 C=CCNCCc1cccc(c1)F 2230a_100000205154_100000210623 [0,3,0,0,0,0|1,0,0]=4 28848 B13R1.6 C=CCNCCc1cccc(c1)F 2230a_100020586998_100011217235 [0,3,0,0,0,0|1,0,0]=4 28849 B13R1.6 C=CCNCCc1cccc(c1)F 34a_100000205154_100015514636 [0,3,0,0,0,0|1,0,0]=4 28850 B13R1.6 C=CCNCCc1cccc(c1)O 2230a_100000747277_100000210623 [0,3,0,0,0,0|1,0,0]=4 28851 B13R1.6 C=CCNCCc1cccc(c1)O 34a_100000747277_100015514636 [0,3,0,0,0,0|1,0,0]=4 28852 B13R1.6 C=CCOCCc1cccc(c1)Br 34a_100011217444_100015514636 [0,3,0,0,0,0|0,0,0]=3 28853 B13R1.6 C=CCOCCc1cccc(c1)Br 34a_200000210373_100011740638 [0,3,0,0,0,0|0,0,0]=3 28854 B13R1.6 C=CCOCCc1cccc(c1)Br 7a_100011217444_100015514636 [0,3,0,0,0,0|0,0,0]=3 28855 B13R1.6 C=CCOCCc1cccc(c1)C 34a_100011217157_100015514636 [0,3,0,0,0,0|0,0,0]=3 28856 B13R1.6 C=CCOCCc1cccc(c1)C 34a_200000210373_100011713685 [0,3,0,0,0,0|0,0,0]=3 28857 B13R1.6 C=CCOCCc1cccc(c1)C 7a_100011217157_100015514636 [0,3,0,0,0,0|0,0,0]=3 28858 B13R1.6 C=CCOCCc1cccc(c1)Cl 34a_100000754733_100015514636 [0,3,0,0,0,0|0,0,0]=3 28859 B13R1.6 C=CCOCCc1cccc(c1)Cl 34a_200000210373_100011713710 [0,3,0,0,0,0|0,0,0]=3 28860 B13R1.6 C=CCOCCc1cccc(c1)Cl 7a_100000754733_100015514636 [0,3,0,0,0,0|0,0,0]=3 28861 B13R1.6 C=CCOCCc1cccc(c1)F 34a_100000763591_100015514636 [0,3,0,0,0,0|0,0,0]=3 28862 B13R1.6 C=CCOCCc1cccc(c1)F 34a_200000210373_100011217235 [0,3,0,0,0,0|0,0,0]=3 28863 B13R1.6 C=CCOCCc1cccc(c1)F 7a_100000763591_100015514636 [0,3,0,0,0,0|0,0,0]=3 28864 B13R1.6 C=CCOCCc1cccc(c1)N 34a_100011996697_100015514636 [0,3,0,0,0,0|0,0,0]=3 28865 B13R1.6 C=CCOCCc1cccc(n1)Br 34a_100010221043_100015514636 [0,3,0,0,0,0|1,0,0]=4 28866 B13R1.6 C=CCOCCc1cccc(n1)Br 7a_100010221043_100015514636 [0,3,0,0,0,0|1,0,0]=4 28867 B13R1.6 C=CCSCCc1cccc(c1)Br 62a_100000210623_100011740638 [0,3,0,0,0,0|0,1,0]=4 28868 B13R1.6 C=CCSCCc1cccc(c1)Br 62a_100011740638_100000210623 [0,3,0,0,0,0|0,1,0]=4 28869 B13R1.6 C=CCSCCc1cccc(c1)C 62a_100000210623_100011713685 [0,3,0,0,0,0|0,1,0]=4 28870 B13R1.6 C=CCSCCc1cccc(c1)C 62a_100011713685_100000210623 [0,3,0,0,0,0|0,1,0]=4 28871 B13R1.6 C=CCSCCc1cccc(c1)Cl 62a_100000210623_100011713710 [0,3,0,0,0,0|0,1,0]=4 28872 B13R1.6 C=CCSCCc1cccc(c1)Cl 62a_100011713710_100000210623 [0,3,0,0,0,0|0,1,0]=4 28873 B13R1.6 C=CCSCCc1cccc(c1)F 62a_100000210623_100011217235 [0,3,0,0,0,0|0,1,0]=4 28874 B13R1.6 C=CCSCCc1cccc(c1)F 62a_100011217235_100000210623 [0,3,0,0,0,0|0,1,0]=4 28875 B13R1.6 C=COCCNc1cccc(c1)Br 34a_100000210019_100000039644 [0,3,0,0,0,0|1,0,0]=4 28876 B13R1.6 C=COCCNc1cccc(c1)C 2230a_100000188690_100000039644 [0,3,0,0,0,0|1,0,0]=4 28877 B13R1.6 C=COCCNc1cccc(c1)C 34a_100000188690_100000039644 [0,3,0,0,0,0|1,0,0]=4 28878 B13R1.6 C=COCCNc1cccc(c1)Cl 34a_100000185859_100000039644 [0,3,0,0,0,0|1,0,0]=4 28879 B13R1.6 C=COCCNc1cccc(c1)F 34a_100000210047_100000039644 [0,3,0,0,0,0|1,0,0]=4 28880 B13R1.6 C=COCCNc1cccc(c1)I 34a_100000211102_100000039644 [0,3,0,0,0,0|1,0,0]=4 28881 B13R1.6 C=COCCNc1cccc(c1)O 34a_100000210217_100000039644 [0,3,0,0,0,0|1,0,0]=4 28882 B13R1.6 C=COCCOc1cc[nH]c(=O)c1 34a_100000032262_100000039644 [0,3,0,0,0,0|1,0,0]=4 28883 B13R1.6 C=COCCOc1ccc[n+](c1)[O-] 34a_100000039713_100000039644 [0,3,0,0,0,0|1,0,0]=4 28884 B13R1.6 C=COCCOc1ccc[n+](c1)[O-] 7a_100000039713_100000039644 [0,3,0,0,0,0|1,0,0]=4 28885 B13R1.6 C=COCCOc1cccc(=O)[nH]1 34a_100000033347_100000039644 [0,3,0,0,0,0|1,0,0]=4 28886 B13R1.6 C=COCCOc1cccc(c1)Br 34a_100000210342_100000039644 [0,3,0,0,0,0|0,0,0]=3 28887 B13R1.6 C=COCCOc1cccc(c1)Br 7a_100000210342_100000039644 [0,3,0,0,0,0|0,0,0]=3 28888 B13R1.6 C=COCCOc1cccc(c1)C 34a_100000210337_100000039644 [0,3,0,0,0,0|0,0,0]=3 28889 B13R1.6 C=COCCOc1cccc(c1)C 7a_100000210337_100000039644 [0,3,0,0,0,0|0,0,0]=3 28890 B13R1.6 C=COCCOc1cccc(c1)Cl 34a_100000210295_100000039644 [0,3,0,0,0,0|0,0,0]=3 28891 B13R1.6 C=COCCOc1cccc(c1)Cl 7a_100000210295_100000039644 [0,3,0,0,0,0|0,0,0]=3 28892 B13R1.6 C=COCCOc1cccc(c1)F 34a_100000210426_100000039644 [0,3,0,0,0,0|0,0,0]=3 28893 B13R1.6 C=COCCOc1cccc(c1)F 7a_100000210426_100000039644 [0,3,0,0,0,0|0,0,0]=3 28894 B13R1.6 C=COCCOc1cccc(c1)I 34a_100000211634_100000039644 [0,3,0,0,0,0|0,0,0]=3 28895 B13R1.6 C=COCCOc1cccc(c1)I 7a_100000211634_100000039644 [0,3,0,0,0,0|0,0,0]=3 28896 B13R1.6 C=COCCOc1cccc(c1)N 34a_100000210217_100000039644 [0,3,0,0,0,0|0,0,0]=3 28897 B13R1.6 C=COCCOc1cccc(n1)F 34a_100011432558_100000039644 [0,3,0,0,0,0|1,0,0]=4 28898 B13R1.6 C=COCCOc1ccnc(c1)C 34a_100000688365_100000039644 [0,3,0,0,0,0|1,0,0]=4 28899 B13R1.6 C=COCCOc1ccnc(c1)Cl 34a_100000762945_100000039644 [0,3,0,0,0,0|1,0,0]=4 28900 B13R1.6 C=COCCOc1ccnc(c1)F 34a_100000732698_100000039644 [0,3,0,0,0,0|1,0,0]=4 28901 B13R1.6 C=COCCOc1ccnc(c1)N 34a_100011834064_100000039644 [0,3,0,0,0,0|1,0,0]=4 28902 B13R1.6 C=COCCOc1cncc(c1)Br 34a_100000754920_100000039644 [0,3,0,0,0,0|1,0,0]=4 28903 B13R1.6 C=COCCOc1cncc(c1)Br 7a_100000754920_100000039644 [0,3,0,0,0,0|1,0,0]=4 28904 B13R1.6 C=COCCOc1cncc(c1)C 34a_100011830280_100000039644 [0,3,0,0,0,0|1,0,0]=4 28905 B13R1.6 C=COCCOc1cncc(c1)C 7a_100011830280_100000039644 [0,3,0,0,0,0|1,0,0]=4 28906 B13R1.6 C=COCCOc1cncc(c1)Cl 7a_100000032511_100000039644 [0,3,0,0,0,0|1,0,0]=4 28907 B13R1.6 C=COCCOc1cncc(c1)F 34a_100011830296_100000039644 [0,3,0,0,0,0|1,0,0]=4 28908 B13R1.6 C=COCCOc1cncc(c1)F 7a_100011830296_100000039644 [0,3,0,0,0,0|1,0,0]=4 28909 B13R1.6 C=COCCOc1cncc(c1)N 34a_100011997051_100000039644 [0,3,0,0,0,0|1,0,0]=4 28910 B13R1.6 C=COCCSc1cccc(c1)Br 62a_100000039644_100000691529 [0,3,0,0,0,0|0,1,0]=4 28911 B13R1.6 C=COCCSc1cccc(c1)Br 62a_100000691529_100000039644 [0,3,0,0,0,0|0,1,0]=4 28912 B13R1.6 C=COCCSc1cccc(c1)C 62a_100000039644_100011215228 [0,3,0,0,0,0|0,1,0]=4 28913 B13R1.6 C=COCCSc1cccc(c1)C 62a_100011215228_100000039644 [0,3,0,0,0,0|0,1,0]=4 28914 B13R1.6 C=COCCSc1cccc(c1)Cl 62a_100000039644_100000699651 [0,3,0,0,0,0|0,1,0]=4 28915 B13R1.6 C=COCCSc1cccc(c1)Cl 62a_100000699651_100000039644 [0,3,0,0,0,0|0,1,0]=4 28916 B13R1.6 C=COCCSc1cccc(c1)F 62a_100000039644_100000685547 [0,3,0,0,0,0|0,1,0]=4 28917 B13R1.6 C=COCCSc1cccc(c1)F 62a_100000685547_100000039644 [0,3,0,0,0,0|0,1,0]=4 28918 B13R1.6 C=COCCSc1cccc(c1)N 62a_100000039644_100000210019 [0,3,0,0,0,0|0,1,0]=4 28919 B13R1.6 C=COCCSc1cccc(c1)N 62a_100000210019_100000039644 [0,3,0,0,0,0|0,1,0]=4 28920 B13R1.6 C=COCCSc1cccc(c1)O 62a_100000039644_100000211634 [0,3,0,0,0,0|0,1,0]=4 28921 B13R1.6 C=COCCSc1cccc(c1)[S] 62a_100000039644_114929384022 [0,3,0,0,0,0|0,1,0]=4 28922 B13R1.6 C=COCCSc1cccc(c1)[S] 62a_114929384022_100000039644 [0,3,0,0,0,0|0,1,0]=4 28923 B13R1.6 CC/C=C\CNc1cccc(c1)Br 34a_100000210019_100103147603 [0,3,0,0,0,0|1,0,0]=4 28924 B13R1.6 CC/C=C\CNc1cccc(c1)C 2230a_100000188690_100103147603 [0,3,0,0,0,0|1,0,0]=4 28925 B13R1.6 CC/C=C\CNc1cccc(c1)C 34a_100000188690_100103147603 [0,3,0,0,0,0|1,0,0]=4 28926 B13R1.6 CC/C=C\CNc1cccc(c1)Cl 34a_100000185859_100103147603 [0,3,0,0,0,0|1,0,0]=4 28927 B13R1.6 CC/C=C\CNc1cccc(c1)F 34a_100000210047_100103147603 [0,3,0,0,0,0|1,0,0]=4 28928 B13R1.6 CC/C=C\CNc1cccc(c1)I 34a_100000211102_100103147603 [0,3,0,0,0,0|1,0,0]=4 28929 B13R1.6 CC/C=C\CNc1cccc(c1)O 34a_100000210217_100103147603 [0,3,0,0,0,0|1,0,0]=4 28930 B13R1.6 CC/C=C\COc1cc[nH]c(=O)c1 34a_100000032262_100103147603 [0,3,0,0,0,0|1,0,0]=4 28931 B13R1.6 CC/C=C\COc1ccc[n+](c1)[O-] 34a_100000039713_100103147603 [0,3,0,0,0,0|1,0,0]=4 28932 B13R1.6 CC/C=C\COc1ccc[n+](c1)[O-] 7a_100000039713_100103147603 [0,3,0,0,0,0|1,0,0]=4 28933 B13R1.6 CC/C=C\COc1cccc(=O)[nH]1 34a_100000033347_100103147603 [0,3,0,0,0,0|1,0,0]=4 28934 B13R1.6 CC/C=C\COc1cccc(c1)Br 34a_100000210342_100103147603 [0,3,0,0,0,0|0,0,0]=3 28935 B13R1.6 CC/C=C\COc1cccc(c1)Br 7a_100000210342_100103147603 [0,3,0,0,0,0|0,0,0]=3 28936 B13R1.6 CC/C=C\COc1cccc(c1)C 34a_100000210337_100103147603 [0,3,0,0,0,0|0,0,0]=3 28937 B13R1.6 CC/C=C\COc1cccc(c1)C 7a_100000210337_100103147603 [0,3,0,0,0,0|0,0,0]=3 28938 B13R1.6 CC/C=C\COc1cccc(c1)Cl 34a_100000210295_100103147603 [0,3,0,0,0,0|0,0,0]=3 28939 B13R1.6 CC/C=C\COc1cccc(c1)Cl 7a_100000210295_100103147603 [0,3,0,0,0,0|0,0,0]=3 28940 B13R1.6 CC/C=C\COc1cccc(c1)F 34a_100000210426_100103147603 [0,3,0,0,0,0|0,0,0]=3 28941 B13R1.6 CC/C=C\COc1cccc(c1)F 7a_100000210426_100103147603 [0,3,0,0,0,0|0,0,0]=3 28942 B13R1.6 CC/C=C\COc1cccc(c1)I 34a_100000211634_100103147603 [0,3,0,0,0,0|0,0,0]=3 28943 B13R1.6 CC/C=C\COc1cccc(c1)I 7a_100000211634_100103147603 [0,3,0,0,0,0|0,0,0]=3 28944 B13R1.6 CC/C=C\COc1cccc(c1)N 34a_100000210217_100103147603 [0,3,0,0,0,0|0,0,0]=3 28945 B13R1.6 CC/C=C\COc1cccc(n1)F 34a_100011432558_100103147603 [0,3,0,0,0,0|1,0,0]=4 28946 B13R1.6 CC/C=C\COc1ccnc(c1)C 34a_100000688365_100103147603 [0,3,0,0,0,0|1,0,0]=4 28947 B13R1.6 CC/C=C\COc1ccnc(c1)Cl 34a_100000762945_100103147603 [0,3,0,0,0,0|1,0,0]=4 28948 B13R1.6 CC/C=C\COc1ccnc(c1)F 34a_100000732698_100103147603 [0,3,0,0,0,0|1,0,0]=4 28949 B13R1.6 CC/C=C\COc1ccnc(c1)N 34a_100011834064_100103147603 [0,3,0,0,0,0|1,0,0]=4 28950 B13R1.6 CC/C=C\COc1cncc(c1)Br 34a_100000754920_100103147603 [0,3,0,0,0,0|1,0,0]=4 28951 B13R1.6 CC/C=C\COc1cncc(c1)Br 7a_100000754920_100103147603 [0,3,0,0,0,0|1,0,0]=4 28952 B13R1.6 CC/C=C\COc1cncc(c1)C 34a_100011830280_100103147603 [0,3,0,0,0,0|1,0,0]=4 28953 B13R1.6 CC/C=C\COc1cncc(c1)C 7a_100011830280_100103147603 [0,3,0,0,0,0|1,0,0]=4 28954 B13R1.6 CC/C=C\COc1cncc(c1)Cl 7a_100000032511_100103147603 [0,3,0,0,0,0|1,0,0]=4 28955 B13R1.6 CC/C=C\COc1cncc(c1)F 34a_100011830296_100103147603 [0,3,0,0,0,0|1,0,0]=4 28956 B13R1.6 CC/C=C\COc1cncc(c1)F 7a_100011830296_100103147603 [0,3,0,0,0,0|1,0,0]=4 28957 B13R1.6 CC/C=C\COc1cncc(c1)N 34a_100011997051_100103147603 [0,3,0,0,0,0|1,0,0]=4 28958 B13R1.6 CC/C=C\CSc1cccc(c1)Br 62a_100000691529_100103147603 [0,3,0,0,0,0|0,1,0]=4 28959 B13R1.6 CC/C=C\CSc1cccc(c1)Br 62a_100103147603_100000691529 [0,3,0,0,0,0|0,1,0]=4 28960 B13R1.6 CC/C=C\CSc1cccc(c1)C 62a_100011215228_100103147603 [0,3,0,0,0,0|0,1,0]=4 28961 B13R1.6 CC/C=C\CSc1cccc(c1)C 62a_100103147603_100011215228 [0,3,0,0,0,0|0,1,0]=4 28962 B13R1.6 CC/C=C\CSc1cccc(c1)Cl 62a_100000699651_100103147603 [0,3,0,0,0,0|0,1,0]=4 28963 B13R1.6 CC/C=C\CSc1cccc(c1)Cl 62a_100103147603_100000699651 [0,3,0,0,0,0|0,1,0]=4 28964 B13R1.6 CC/C=C\CSc1cccc(c1)F 62a_100000685547_100103147603 [0,3,0,0,0,0|0,1,0]=4 28965 B13R1.6 CC/C=C\CSc1cccc(c1)F 62a_100103147603_100000685547 [0,3,0,0,0,0|0,1,0]=4 28966 B13R1.6 CC/C=C\CSc1cccc(c1)N 62a_100000210019_100103147603 [0,3,0,0,0,0|0,1,0]=4 28967 B13R1.6 CC/C=C\CSc1cccc(c1)N 62a_100103147603_100000210019 [0,3,0,0,0,0|0,1,0]=4 28968 B13R1.6 CC/C=C\CSc1cccc(c1)O 62a_100103147603_100000211634 [0,3,0,0,0,0|0,1,0]=4 28969 B13R1.6 CC/C=C\CSc1cccc(c1)[S] 62a_100103147603_114929384022 [0,3,0,0,0,0|0,1,0]=4 28970 B13R1.6 CC/C=C\CSc1cccc(c1)[S] 62a_114929384022_100103147603 [0,3,0,0,0,0|0,1,0]=4 28971 B13R1.6 CC=CCNCc1cccc(c1)Br 2230a_100000174977_100000070051 [0,3,0,0,0,0|1,0,0]=4 28972 B13R1.6 CC=CCNCc1cccc(c1)Br 34a_100000174977_100000070051 [0,3,0,0,0,0|1,0,0]=4 28973 B13R1.6 CC=CCNCc1cccc(c1)C 2230a_100000185548_100000070051 [0,3,0,0,0,0|1,0,0]=4 28974 B13R1.6 CC=CCNCc1cccc(c1)C 34a_100000185548_100000070051 [0,3,0,0,0,0|1,0,0]=4 28975 B13R1.6 CC=CCNCc1cccc(c1)Cl 2230a_100000174878_100000070051 [0,3,0,0,0,0|1,0,0]=4 28976 B13R1.6 CC=CCNCc1cccc(c1)Cl 34a_100000174878_100000070051 [0,3,0,0,0,0|1,0,0]=4 28977 B13R1.6 CC=CCNCc1cccc(c1)F 2230a_100000174948_100000070051 [0,3,0,0,0,0|1,0,0]=4 28978 B13R1.6 CC=CCNCc1cccc(c1)F 34a_100000174948_100000070051 [0,3,0,0,0,0|1,0,0]=4 28979 B13R1.6 CC=CCNCc1cccc(c1)I 2230a_100000106179_100000070051 [0,3,0,0,0,0|1,0,0]=4 28980 B13R1.6 CC=CCNCc1cccc(c1)I 34a_100000106179_100000070051 [0,3,0,0,0,0|1,0,0]=4 28981 B13R1.6 CC=CCNCc1cccc(c1)O 2230a_100000743036_100000070051 [0,3,0,0,0,0|1,0,0]=4 28982 B13R1.6 CC=CCNCc1cccc(c1)O 34a_100000743036_100000070051 [0,3,0,0,0,0|1,0,0]=4 28983 B13R1.6 CC=CCOCc1cc(ccn1)C 34a_100011998357_100000070051 [0,3,0,0,0,0|1,0,0]=4 28984 B13R1.6 CC=CCOCc1cc(ccn1)Cl 34a_100000748867_100000070051 [0,3,0,0,0,0|1,0,0]=4 28985 B13R1.6 CC=CCOCc1cc(ccn1)N 34a_100000692640_100000070051 [0,3,0,0,0,0|1,0,0]=4 28986 B13R1.6 CC=CCOCc1ccc[n+](c1)[O-] 34a_100000037817_100000070051 [0,3,0,0,0,0|1,0,0]=4 28987 B13R1.6 CC=CCOCc1ccc[n+](c1)[O-] 7a_100000037817_100000070051 [0,3,0,0,0,0|1,0,0]=4 28988 B13R1.6 CC=CCOCc1cccc(c1)Br 34a_100000687537_100000070051 [0,3,0,0,0,0|0,0,0]=3 28989 B13R1.6 CC=CCOCc1cccc(c1)Br 7a_100000687537_100000070051 [0,3,0,0,0,0|0,0,0]=3 28990 B13R1.6 CC=CCOCc1cccc(c1)C 34a_100011217746_100000070051 [0,3,0,0,0,0|0,0,0]=3 28991 B13R1.6 CC=CCOCc1cccc(c1)C 7a_100011217746_100000070051 [0,3,0,0,0,0|0,0,0]=3 28992 B13R1.6 CC=CCOCc1cccc(c1)Cl 34a_100000241301_100000070051 [0,3,0,0,0,0|0,0,0]=3 28993 B13R1.6 CC=CCOCc1cccc(c1)Cl 7a_100000241301_100000070051 [0,3,0,0,0,0|0,0,0]=3 28994 B13R1.6 CC=CCOCc1cccc(c1)F 34a_100000210976_100000070051 [0,3,0,0,0,0|0,0,0]=3 28995 B13R1.6 CC=CCOCc1cccc(c1)F 7a_100000210976_100000070051 [0,3,0,0,0,0|0,0,0]=3 28996 B13R1.6 CC=CCOCc1cccc(c1)I 34a_100011215336_100000070051 [0,3,0,0,0,0|0,0,0]=3 28997 B13R1.6 CC=CCOCc1cccc(c1)I 7a_100011215336_100000070051 [0,3,0,0,0,0|0,0,0]=3 28998 B13R1.6 CC=CCOCc1cccc(c1)N 34a_100000211919_100000070051 [0,3,0,0,0,0|0,0,0]=3 28999 B13R1.6 CC=CCOCc1cccc(n1)Br 34a_100000694195_100000070051 [0,3,0,0,0,0|1,0,0]=4 29000 B13R1.6 CC=CCOCc1cccc(n1)C 34a_100000690600_100000070051 [0,3,0,0,0,0|1,0,0]=4 29001 B13R1.6 CC=CCOCc1cccc(n1)Cl 34a_100011998359_100000070051 [0,3,0,0,0,0|1,0,0]=4 29002 B13R1.6 CC=CCOCc1cccc(n1)F 34a_100000086748_100000070051 [0,3,0,0,0,0|1,0,0]=4 29003 B13R1.6 CC=CCOCc1ccnc(c1)Br 34a_100009814636_100000070051 [0,3,0,0,0,0|1,0,0]=4 29004 B13R1.6 CC=CCOCc1ccnc(c1)Br 7a_100009814636_100000070051 [0,3,0,0,0,0|1,0,0]=4 29005 B13R1.6 CC=CCOCc1ccnc(c1)C 34a_100011998630_100000070051 [0,3,0,0,0,0|1,0,0]=4 29006 B13R1.6 CC=CCOCc1ccnc(c1)Cl 34a_100000748751_100000070051 [0,3,0,0,0,0|1,0,0]=4 29007 B13R1.6 CC=CCOCc1ccnc(c1)F 34a_100000082451_100000070051 [0,3,0,0,0,0|1,0,0]=4 29008 B13R1.6 CC=CCOCc1cncc(c1)Br 34a_100011259137_100000070051 [0,3,0,0,0,0|1,0,0]=4 29009 B13R1.6 CC=CCOCc1cncc(c1)Br 7a_100011259137_100000070051 [0,3,0,0,0,0|1,0,0]=4 29010 B13R1.6 CC=CCOCc1cncc(c1)C 34a_100011998709_100000070051 [0,3,0,0,0,0|1,0,0]=4 29011 B13R1.6 CC=CCOCc1cncc(c1)C 7a_100011998709_100000070051 [0,3,0,0,0,0|1,0,0]=4 29012 B13R1.6 CC=CCOCc1cncc(c1)Cl 34a_100000092867_100000070051 [0,3,0,0,0,0|1,0,0]=4 29013 B13R1.6 CC=CCOCc1cncc(c1)Cl 7a_100000092867_100000070051 [0,3,0,0,0,0|1,0,0]=4 29014 B13R1.6 CC=CCOCc1cncc(c1)F 34a_100011962875_100000070051 [0,3,0,0,0,0|1,0,0]=4 29015 B13R1.6 CC=CCOCc1cncc(c1)F 7a_100011962875_100000070051 [0,3,0,0,0,0|1,0,0]=4 29016 B13R1.6 CC=CCOCc1cncc(c1)N 34a_100000085308_100000070051 [0,3,0,0,0,0|1,0,0]=4 29017 B13R1.6 CC=CCSCc1cccc(c1)Br 62a_100000070051_100000211773 [0,3,0,0,0,0|0,1,0]=4 29018 B13R1.6 CC=CCSCc1cccc(c1)Br 62a_100000211773_100000070051 [0,3,0,0,0,0|0,1,0]=4 29019 B13R1.6 CC=CCSCc1cccc(c1)C 62a_100000070051_100000211840 [0,3,0,0,0,0|0,1,0]=4 29020 B13R1.6 CC=CCSCc1cccc(c1)C 62a_100000211840_100000070051 [0,3,0,0,0,0|0,1,0]=4 29021 B13R1.6 CC=CCSCc1cccc(c1)Cl 62a_100000070051_100000187163 [0,3,0,0,0,0|0,1,0]=4 29022 B13R1.6 CC=CCSCc1cccc(c1)Cl 62a_100000187163_100000070051 [0,3,0,0,0,0|0,1,0]=4 29023 B13R1.6 CC=CCSCc1cccc(c1)F 62a_100000070051_100000230114 [0,3,0,0,0,0|0,1,0]=4 29024 B13R1.6 CC=CCSCc1cccc(c1)F 62a_100000230114_100000070051 [0,3,0,0,0,0|0,1,0]=4 29025 B13R1.6 CC=CCSCc1cccc(c1)I 62a_100000070051_100011218688 [0,3,0,0,0,0|0,1,0]=4 29026 B13R1.6 CC=CCSCc1cccc(c1)I 62a_100011218688_100000070051 [0,3,0,0,0,0|0,1,0]=4 29027 B13R1.6 CC=CCSCc1cccc(c1)O 62a_100000070051_100011660834 [0,3,0,0,0,0|0,1,0]=4 29028 B13R1.6 CC=CCSCc1cccc(c1)O 62a_100011660834_100000070051 [0,3,0,0,0,0|0,1,0]=4 29029 B13R1.6 Cc1cccc(c1)CCOCC=O 34a_100011217157_200009817547 [0,3,0,0,0,0|1,0,0]=4 29030 B13R1.6 Cc1cccc(c1)CCOCC=O 7a_100011217157_200015260668 [0,3,0,0,0,0|1,0,0]=4 29031 B13R1.6 Cc1cccc(c1)OCCCC=O 7a_100000210337_200011292268 [0,3,0,0,0,0|0,0,1]=4 29032 B13R1.6 Nc1cccc(c1)CCOCC=O 34a_100011996697_200009817547 [0,3,0,0,0,0|1,0,0]=4 29033 B13R1.6 O=CCCCOc1cccc(c1)Br 7a_100000210342_200011292268 [0,3,0,0,0,0|0,0,1]=4 29034 B13R1.6 O=CCCCOc1cccc(c1)Cl 7a_100000210295_200011292268 [0,3,0,0,0,0|0,0,1]=4 29035 B13R1.6 O=CCCCOc1cccc(c1)F 7a_100000210426_200011292268 [0,3,0,0,0,0|0,0,1]=4 29036 B13R1.6 O=CCCCOc1cccc(c1)I 7a_100000211634_200011292268 [0,3,0,0,0,0|0,0,1]=4 29037 B13R1.6 O=CCOCCc1cccc(c1)Br 34a_100011217444_200009817547 [0,3,0,0,0,0|1,0,0]=4 29038 B13R1.6 O=CCOCCc1cccc(c1)Br 7a_100011217444_200015260668 [0,3,0,0,0,0|1,0,0]=4 29039 B13R1.6 O=CCOCCc1cccc(c1)Cl 34a_100000754733_200009817547 [0,3,0,0,0,0|1,0,0]=4 29040 B13R1.6 O=CCOCCc1cccc(c1)Cl 7a_100000754733_200015260668 [0,3,0,0,0,0|1,0,0]=4 29041 B13R1.6 O=CCOCCc1cccc(c1)F 34a_100000763591_200009817547 [0,3,0,0,0,0|1,0,0]=4 29042 B13R1.6 O=CCOCCc1cccc(c1)F 7a_100000763591_200015260668 [0,3,0,0,0,0|1,0,0]=4 29043 B13R1.15 C=C(C#N)CNc1cccc(c1)Br 34a_100000210019_100000694840 [0,3,0,0,0,0|1,0,0]=4 29044 B13R1.15 C=C(C#N)CNc1cccc(c1)C 2230a_100000188690_100000694840 [0,3,0,0,0,0|1,0,0]=4 29045 B13R1.15 C=C(C#N)CNc1cccc(c1)C 34a_100000188690_100000694840 [0,3,0,0,0,0|1,0,0]=4 29046 B13R1.15 C=C(C#N)CNc1cccc(c1)Cl 34a_100000185859_100000694840 [0,3,0,0,0,0|1,0,0]=4 29047 B13R1.15 C=C(C#N)CNc1cccc(c1)F 34a_100000210047_100000694840 [0,3,0,0,0,0|1,0,0]=4 29048 B13R1.15 C=C(C#N)CNc1cccc(c1)I 34a_100000211102_100000694840 [0,3,0,0,0,0|1,0,0]=4 29049 B13R1.15 C=C(C#N)CNc1cccc(c1)O 34a_100000210217_100000694840 [0,3,0,0,0,0|1,0,0]=4 29050 B13R1.15 C=C(C#N)COc1cc[nH]c(=O)c1 34a_100000032262_100000694840 [0,3,0,0,0,0|1,0,0]=4 29051 B13R1.15 C=C(C#N)COc1ccc[n+](c1)[O-] 34a_100000039713_100000694840 [0,3,0,0,0,0|1,0,0]=4 29052 B13R1.15 C=C(C#N)COc1cccc(=O)[nH]1 34a_100000033347_100000694840 [0,3,0,0,0,0|1,0,0]=4 29053 B13R1.15 C=C(C#N)COc1cccc(c1)Br 34a_100000210342_100000694840 [0,3,0,0,0,0|0,0,0]=3 29054 B13R1.15 C=C(C#N)COc1cccc(c1)C 34a_100000210337_100000694840 [0,3,0,0,0,0|0,0,0]=3 29055 B13R1.15 C=C(C#N)COc1cccc(c1)Cl 34a_100000210295_100000694840 [0,3,0,0,0,0|0,0,0]=3 29056 B13R1.15 C=C(C#N)COc1cccc(c1)F 34a_100000210426_100000694840 [0,3,0,0,0,0|0,0,0]=3 29057 B13R1.15 C=C(C#N)COc1cccc(c1)I 34a_100000211634_100000694840 [0,3,0,0,0,0|0,0,0]=3 29058 B13R1.15 C=C(C#N)COc1cccc(c1)N 34a_100000210217_100000694840 [0,3,0,0,0,0|0,0,0]=3 29059 B13R1.15 C=C(C#N)COc1cccc(n1)F 34a_100011432558_100000694840 [0,3,0,0,0,0|1,0,0]=4 29060 B13R1.15 C=C(C#N)COc1ccnc(c1)C 34a_100000688365_100000694840 [0,3,0,0,0,0|1,0,0]=4 29061 B13R1.15 C=C(C#N)COc1ccnc(c1)Cl 34a_100000762945_100000694840 [0,3,0,0,0,0|1,0,0]=4 29062 B13R1.15 C=C(C#N)COc1ccnc(c1)F 34a_100000732698_100000694840 [0,3,0,0,0,0|1,0,0]=4 29063 B13R1.15 C=C(C#N)COc1ccnc(c1)N 34a_100011834064_100000694840 [0,3,0,0,0,0|1,0,0]=4 29064 B13R1.15 C=C(C#N)COc1cncc(c1)Br 34a_100000754920_100000694840 [0,3,0,0,0,0|1,0,0]=4 29065 B13R1.15 C=C(C#N)COc1cncc(c1)C 34a_100011830280_100000694840 [0,3,0,0,0,0|1,0,0]=4 29066 B13R1.15 C=C(C#N)COc1cncc(c1)F 34a_100011830296_100000694840 [0,3,0,0,0,0|1,0,0]=4 29067 B13R1.15 C=C(C#N)COc1cncc(c1)N 34a_100011997051_100000694840 [0,3,0,0,0,0|1,0,0]=4 29068 B13R1.15 C=C(C#N)CSc1cccc(c1)Br 62a_100000691529_100000694840 [0,3,0,0,0,0|0,1,0]=4 29069 B13R1.15 C=C(C#N)CSc1cccc(c1)C 62a_100011215228_100000694840 [0,3,0,0,0,0|0,1,0]=4 29070 B13R1.15 C=C(C#N)CSc1cccc(c1)Cl 62a_100000699651_100000694840 [0,3,0,0,0,0|0,1,0]=4 29071 B13R1.15 C=C(C#N)CSc1cccc(c1)F 62a_100000685547_100000694840 [0,3,0,0,0,0|0,1,0]=4 29072 B13R1.15 C=C(C#N)CSc1cccc(c1)N 62a_100000210019_100000694840 [0,3,0,0,0,0|0,1,0]=4 29073 B13R1.15 C=C(C#N)CSc1cccc(c1)[S] 62a_114929384022_100000694840 [0,3,0,0,0,0|0,1,0]=4 29074 B13R1.15 C=CC(=O)CCc1cccc(c1)Br 1458a_100000185746_100011740638 [0,3,0,0,0,0|1,0,0]=4 29075 B13R1.15 C=CC(=O)CCc1cccc(c1)C 1458a_100000185746_100011713685 [0,3,0,0,0,0|1,0,0]=4 29076 B13R1.15 C=CC(=O)CCc1cccc(c1)Cl 1458a_100000185746_100011713710 [0,3,0,0,0,0|1,0,0]=4 29077 B13R1.15 C=CC(=O)CCc1cccc(c1)F 1458a_100000185746_100011217235 [0,3,0,0,0,0|1,0,0]=4 29078 B13R1.15 C=CC(C)OCc1cc(ccn1)Br 34a_100000695699_100010173614 [0,3,0,0,0,0|1,0,0]=4 29079 B13R1.15 C=CC(C)OCc1cc(ccn1)C 34a_100000695699_100000718516 [0,3,0,0,0,0|1,0,0]=4 29080 B13R1.15 C=CC(C)OCc1cc(ccn1)Cl 34a_100000695699_100016988179 [0,3,0,0,0,0|1,0,0]=4 29081 B13R1.15 C=CC(C)OCc1cccc(c1)Br 34a_100000695699_100000698116 [0,3,0,0,0,0|0,0,0]=3 29082 B13R1.15 C=CC(C)OCc1cccc(c1)C 34a_100000695699_100000211840 [0,3,0,0,0,0|0,0,0]=3 29083 B13R1.15 C=CC(C)OCc1cccc(c1)Cl 34a_100000695699_100000187163 [0,3,0,0,0,0|0,0,0]=3 29084 B13R1.15 C=CC(C)OCc1cccc(c1)F 34a_100000695699_100000187166 [0,3,0,0,0,0|0,0,0]=3 29085 B13R1.15 C=CC(C)OCc1cccc(c1)I 34a_100000695699_100011218688 [0,3,0,0,0,0|0,0,0]=3 29086 B13R1.15 C=CC(C)OCc1cccc(c1)O 34a_100000695699_100011660834 [0,3,0,0,0,0|0,0,0]=3 29087 B13R1.15 C=CC(C)OCc1cccc(n1)Br 34a_100000695699_100009889011 [0,3,0,0,0,0|1,0,0]=4 29088 B13R1.15 C=CC(C)OCc1cccc(n1)C 34a_100000695699_100000757606 [0,3,0,0,0,0|1,0,0]=4 29089 B13R1.15 C=CC(C)OCc1cccc(n1)Cl 34a_100000695699_100000086093 [0,3,0,0,0,0|1,0,0]=4 29090 B13R1.15 C=CC(C)OCc1cccc(n1)F 34a_100000695699_100009819644 [0,3,0,0,0,0|1,0,0]=4 29091 B13R1.15 C=CC(C)OCc1ccnc(c1)Br 34a_100000695699_100010243470 [0,3,0,0,0,0|1,0,0]=4 29092 B13R1.15 C=CC(C)OCc1ccnc(c1)C 34a_100000695699_200020672517 [0,3,0,0,0,0|1,0,0]=4 29093 B13R1.15 C=CC(C)OCc1ccnc(c1)Cl 34a_100000695699_100000764220 [0,3,0,0,0,0|1,0,0]=4 29094 B13R1.15 C=CC(C)OCc1cncc(c1)Br 34a_100000695699_100000738771 [0,3,0,0,0,0|1,0,0]=4 29095 B13R1.15 C=CC(C)OCc1cncc(c1)C 34a_100000695699_100000716715 [0,3,0,0,0,0|1,0,0]=4 29096 B13R1.15 C=CC(C)OCc1cncc(c1)Cl 34a_100000695699_100016992070 [0,3,0,0,0,0|1,0,0]=4 29097 B13R1.15 C=CC(C)OCc1cncc(c1)F 34a_100000695699_100000725299 [0,3,0,0,0,0|1,0,0]=4 29098 B13R1.15 C=CC(C)SCc1cccc(c1)Br 62a_100011215867_100000211773 [0,3,0,0,0,0|0,1,0]=4 29099 B13R1.15 C=CC(C)SCc1cccc(c1)C 62a_100011215867_100000211840 [0,3,0,0,0,0|0,1,0]=4 29100 B13R1.15 C=CC(C)SCc1cccc(c1)Cl 62a_100011215867_100000187163 [0,3,0,0,0,0|0,1,0]=4 29101 B13R1.15 C=CC(C)SCc1cccc(c1)F 62a_100011215867_100000230114 [0,3,0,0,0,0|0,1,0]=4 29102 B13R1.15 C=CC(C)SCc1cccc(c1)I 62a_100011215867_100011218688 [0,3,0,0,0,0|0,1,0]=4 29103 B13R1.15 C=CC(C)SCc1cccc(c1)O 62a_100011215867_100011660834 [0,3,0,0,0,0|0,1,0]=4 29104 B13R1.15 C=CC(O)CNc1cccc(c1)Br 34a_100000210019_100000730141 [0,3,0,0,0,0|1,0,0]=4 29105 B13R1.15 C=CC(O)CNc1cccc(c1)C 2230a_100000188690_100000730141 [0,3,0,0,0,0|1,0,0]=4 29106 B13R1.15 C=CC(O)CNc1cccc(c1)C 34a_100000188690_100000730141 [0,3,0,0,0,0|1,0,0]=4 29107 B13R1.15 C=CC(O)CNc1cccc(c1)Cl 34a_100000185859_100000730141 [0,3,0,0,0,0|1,0,0]=4 29108 B13R1.15 C=CC(O)CNc1cccc(c1)F 34a_100000210047_100000730141 [0,3,0,0,0,0|1,0,0]=4 29109 B13R1.15 C=CC(O)CNc1cccc(c1)I 34a_100000211102_100000730141 [0,3,0,0,0,0|1,0,0]=4 29110 B13R1.15 C=CC(O)CNc1cccc(c1)O 34a_100000210217_100000730141 [0,3,0,0,0,0|1,0,0]=4 29111 B13R1.15 C=CC(O)COc1cc[nH]c(=O)c1 34a_100000032262_100000730141 [0,3,0,0,0,0|1,0,0]=4 29112 B13R1.15 C=CC(O)COc1ccc[n+](c1)[O-] 34a_100000039713_100000730141 [0,3,0,0,0,0|1,0,0]=4 29113 B13R1.15 C=CC(O)COc1ccc[n+](c1)[O-] 7a_100000039713_100000730141 [0,3,0,0,0,0|1,0,0]=4 29114 B13R1.15 C=CC(O)COc1cccc(=O)[nH]1 34a_100000033347_100000730141 [0,3,0,0,0,0|1,0,0]=4 29115 B13R1.15 C=CC(O)COc1cccc(c1)Br 34a_100000210342_100000730141 [0,3,0,0,0,0|0,0,0]=3 29116 B13R1.15 C=CC(O)COc1cccc(c1)Br 7a_100000210342_100000730141 [0,3,0,0,0,0|0,0,0]=3 29117 B13R1.15 C=CC(O)COc1cccc(c1)C 34a_100000210337_100000730141 [0,3,0,0,0,0|0,0,0]=3 29118 B13R1.15 C=CC(O)COc1cccc(c1)C 7a_100000210337_100000730141 [0,3,0,0,0,0|0,0,0]=3 29119 B13R1.15 C=CC(O)COc1cccc(c1)Cl 34a_100000210295_100000730141 [0,3,0,0,0,0|0,0,0]=3 29120 B13R1.15 C=CC(O)COc1cccc(c1)Cl 7a_100000210295_100000730141 [0,3,0,0,0,0|0,0,0]=3 29121 B13R1.15 C=CC(O)COc1cccc(c1)F 34a_100000210426_100000730141 [0,3,0,0,0,0|0,0,0]=3 29122 B13R1.15 C=CC(O)COc1cccc(c1)F 7a_100000210426_100000730141 [0,3,0,0,0,0|0,0,0]=3 29123 B13R1.15 C=CC(O)COc1cccc(c1)I 34a_100000211634_100000730141 [0,3,0,0,0,0|0,0,0]=3 29124 B13R1.15 C=CC(O)COc1cccc(c1)I 7a_100000211634_100000730141 [0,3,0,0,0,0|0,0,0]=3 29125 B13R1.15 C=CC(O)COc1cccc(c1)N 34a_100000210217_100000730141 [0,3,0,0,0,0|0,0,0]=3 29126 B13R1.15 C=CC(O)COc1cccc(n1)F 34a_100011432558_100000730141 [0,3,0,0,0,0|1,0,0]=4 29127 B13R1.15 C=CC(O)COc1ccnc(c1)C 34a_100000688365_100000730141 [0,3,0,0,0,0|1,0,0]=4 29128 B13R1.15 C=CC(O)COc1ccnc(c1)Cl 34a_100000762945_100000730141 [0,3,0,0,0,0|1,0,0]=4 29129 B13R1.15 C=CC(O)COc1ccnc(c1)F 34a_100000732698_100000730141 [0,3,0,0,0,0|1,0,0]=4 29130 B13R1.15 C=CC(O)COc1ccnc(c1)N 34a_100011834064_100000730141 [0,3,0,0,0,0|1,0,0]=4 29131 B13R1.15 C=CC(O)COc1cncc(c1)Br 34a_100000754920_100000730141 [0,3,0,0,0,0|1,0,0]=4 29132 B13R1.15 C=CC(O)COc1cncc(c1)Br 7a_100000754920_100000730141 [0,3,0,0,0,0|1,0,0]=4 29133 B13R1.15 C=CC(O)COc1cncc(c1)C 34a_100011830280_100000730141 [0,3,0,0,0,0|1,0,0]=4 29134 B13R1.15 C=CC(O)COc1cncc(c1)C 7a_100011830280_100000730141 [0,3,0,0,0,0|1,0,0]=4 29135 B13R1.15 C=CC(O)COc1cncc(c1)Cl 7a_100000032511_100000730141 [0,3,0,0,0,0|1,0,0]=4 29136 B13R1.15 C=CC(O)COc1cncc(c1)F 34a_100011830296_100000730141 [0,3,0,0,0,0|1,0,0]=4 29137 B13R1.15 C=CC(O)COc1cncc(c1)F 7a_100011830296_100000730141 [0,3,0,0,0,0|1,0,0]=4 29138 B13R1.15 C=CC(O)COc1cncc(c1)N 34a_100011997051_100000730141 [0,3,0,0,0,0|1,0,0]=4 29139 B13R1.15 C=CC(O)CSc1cccc(c1)Br 62a_100000691529_100000730141 [0,3,0,0,0,0|0,1,0]=4 29140 B13R1.15 C=CC(O)CSc1cccc(c1)Br 62a_100000730141_100000691529 [0,3,0,0,0,0|0,1,0]=4 29141 B13R1.15 C=CC(O)CSc1cccc(c1)C 62a_100000730141_100011215228 [0,3,0,0,0,0|0,1,0]=4 29142 B13R1.15 C=CC(O)CSc1cccc(c1)C 62a_100011215228_100000730141 [0,3,0,0,0,0|0,1,0]=4 29143 B13R1.15 C=CC(O)CSc1cccc(c1)Cl 62a_100000699651_100000730141 [0,3,0,0,0,0|0,1,0]=4 29144 B13R1.15 C=CC(O)CSc1cccc(c1)Cl 62a_100000730141_100000699651 [0,3,0,0,0,0|0,1,0]=4 29145 B13R1.15 C=CC(O)CSc1cccc(c1)F 62a_100000685547_100000730141 [0,3,0,0,0,0|0,1,0]=4 29146 B13R1.15 C=CC(O)CSc1cccc(c1)F 62a_100000730141_100000685547 [0,3,0,0,0,0|0,1,0]=4 29147 B13R1.15 C=CC(O)CSc1cccc(c1)N 62a_100000210019_100000730141 [0,3,0,0,0,0|0,1,0]=4 29148 B13R1.15 C=CC(O)CSc1cccc(c1)N 62a_100000730141_100000210019 [0,3,0,0,0,0|0,1,0]=4 29149 B13R1.15 C=CC(O)CSc1cccc(c1)O 62a_100000730141_100000211634 [0,3,0,0,0,0|0,1,0]=4 29150 B13R1.15 C=CC(O)CSc1cccc(c1)[S] 62a_100000730141_114929384022 [0,3,0,0,0,0|0,1,0]=4 29151 B13R1.15 C=CC(O)CSc1cccc(c1)[S] 62a_114929384022_100000730141 [0,3,0,0,0,0|0,1,0]=4 29152 B13R1.15 CCC(=O)COc1cccc(c1)Br 1458a_100000182359_100000210202 [0,3,0,0,0,0|0,0,1]=4 29153 B13R1.15 CCC(=O)COc1cccc(c1)Br 7a_100000210342_100000747405 [0,3,0,0,0,0|0,0,1]=4 29154 B13R1.15 CCC(=O)COc1cccc(c1)C 1458a_100000183606_100000210202 [0,3,0,0,0,0|0,0,1]=4 29155 B13R1.15 CCC(=O)COc1cccc(c1)C 7a_100000210337_100000747405 [0,3,0,0,0,0|0,0,1]=4 29156 B13R1.15 CCC(=O)COc1cccc(c1)Cl 1458a_100000184978_100000210202 [0,3,0,0,0,0|0,0,1]=4 29157 B13R1.15 CCC(=O)COc1cccc(c1)Cl 7a_100000210295_100000747405 [0,3,0,0,0,0|0,0,1]=4 29158 B13R1.15 CCC(=O)COc1cccc(c1)F 1458a_100000182781_100000210202 [0,3,0,0,0,0|0,0,1]=4 29159 B13R1.15 CCC(=O)COc1cccc(c1)F 7a_100000210426_100000747405 [0,3,0,0,0,0|0,0,1]=4 29160 B13R1.15 CCC(=O)COc1cccc(c1)I 7a_100000211634_100000747405 [0,3,0,0,0,0|0,0,1]=4 29161 B13R1.15 CNC(=O)COc1cccc(c1)Br 11a_106832991635_100000182359 [0,3,0,0,0,0|0,0,1]=4 29162 B13R1.15 CNC(=O)COc1cccc(c1)Br 1626a_100102657272_100000182359 [0,3,0,0,0,0|0,0,1]=4 29163 B13R1.15 CNC(=O)COc1cccc(c1)Br 240690a_100102657272_100000182359 [0,3,0,0,0,0|0,0,1]=4 29164 B13R1.15 CNC(=O)COc1cccc(c1)Br 34a_100000210342_100000183359 [0,3,0,0,0,0|0,0,1]=4 29165 B13R1.15 CNC(=O)COc1cccc(c1)Br 527a_100102657272_100000182359 [0,3,0,0,0,0|0,0,1]=4 29166 B13R1.15 CNC(=O)COc1cccc(c1)Br 7a_100000210342_100000183359 [0,3,0,0,0,0|0,0,1]=4 29167 B13R1.15 CNC(=O)COc1cccc(c1)C 11a_106832991635_100000183606 [0,3,0,0,0,0|0,0,1]=4 29168 B13R1.15 CNC(=O)COc1cccc(c1)C 1626a_100102657272_100000183606 [0,3,0,0,0,0|0,0,1]=4 29169 B13R1.15 CNC(=O)COc1cccc(c1)C 240690a_100102657272_100000183606 [0,3,0,0,0,0|0,0,1]=4 29170 B13R1.15 CNC(=O)COc1cccc(c1)C 34a_100000210337_100000183359 [0,3,0,0,0,0|0,0,1]=4 29171 B13R1.15 CNC(=O)COc1cccc(c1)C 527a_100102657272_100000183606 [0,3,0,0,0,0|0,0,1]=4 29172 B13R1.15 CNC(=O)COc1cccc(c1)C 7a_100000210337_100000183359 [0,3,0,0,0,0|0,0,1]=4 29173 B13R1.15 CNC(=O)COc1cccc(c1)Cl 11a_106832991635_100000184978 [0,3,0,0,0,0|0,0,1]=4 29174 B13R1.15 CNC(=O)COc1cccc(c1)Cl 1626a_100102657272_100000184978 [0,3,0,0,0,0|0,0,1]=4 29175 B13R1.15 CNC(=O)COc1cccc(c1)Cl 240690a_100102657272_100000184978 [0,3,0,0,0,0|0,0,1]=4 29176 B13R1.15 CNC(=O)COc1cccc(c1)Cl 34a_100000210295_100000183359 [0,3,0,0,0,0|0,0,1]=4 29177 B13R1.15 CNC(=O)COc1cccc(c1)Cl 527a_100102657272_100000184978 [0,3,0,0,0,0|0,0,1]=4 29178 B13R1.15 CNC(=O)COc1cccc(c1)Cl 7a_100000210295_100000183359 [0,3,0,0,0,0|0,0,1]=4 29179 B13R1.15 CNC(=O)COc1cccc(c1)F 11a_106832991635_100000182781 [0,3,0,0,0,0|0,0,1]=4 29180 B13R1.15 CNC(=O)COc1cccc(c1)F 1626a_100102657272_100000182781 [0,3,0,0,0,0|0,0,1]=4 29181 B13R1.15 CNC(=O)COc1cccc(c1)F 240690a_100102657272_100000182781 [0,3,0,0,0,0|0,0,1]=4 29182 B13R1.15 CNC(=O)COc1cccc(c1)F 34a_100000210426_100000183359 [0,3,0,0,0,0|0,0,1]=4 29183 B13R1.15 CNC(=O)COc1cccc(c1)F 527a_100102657272_100000182781 [0,3,0,0,0,0|0,0,1]=4 29184 B13R1.15 CNC(=O)COc1cccc(c1)F 7a_100000210426_100000183359 [0,3,0,0,0,0|0,0,1]=4 29185 B13R1.15 CNC(=O)COc1cccc(c1)I 34a_100000211634_100000183359 [0,3,0,0,0,0|0,0,1]=4 29186 B13R1.15 CNC(=O)COc1cccc(c1)I 7a_100000211634_100000183359 [0,3,0,0,0,0|0,0,1]=4 29187 B13R1.15 CNC(=O)COc1cccc(c1)N 34a_100000210217_100000183359 [0,3,0,0,0,0|0,0,1]=4 29188 B13R1.15 CNC(=O)COc1cccc(c1)O 271570a_203496583355_200000150594 [0,3,0,0,0,0|0,0,1]=4 29189 B13R1.15 COC(=O)COc1cccc(c1)Br 34a_100000210342_100000747449 [0,3,0,0,0,0|0,0,1]=4 29190 B13R1.15 COC(=O)COc1cccc(c1)Br 7a_100000210342_100000747449 [0,3,0,0,0,0|0,0,1]=4 29191 B13R1.15 COC(=O)COc1cccc(c1)C 34a_100000210337_100000747449 [0,3,0,0,0,0|0,0,1]=4 29192 B13R1.15 COC(=O)COc1cccc(c1)C 7a_100000210337_100000747449 [0,3,0,0,0,0|0,0,1]=4 29193 B13R1.15 COC(=O)COc1cccc(c1)Cl 34a_100000210295_100000747449 [0,3,0,0,0,0|0,0,1]=4 29194 B13R1.15 COC(=O)COc1cccc(c1)Cl 7a_100000210295_100000747449 [0,3,0,0,0,0|0,0,1]=4 29195 B13R1.15 COC(=O)COc1cccc(c1)F 34a_100000210426_100000747449 [0,3,0,0,0,0|0,0,1]=4 29196 B13R1.15 COC(=O)COc1cccc(c1)F 7a_100000210426_100000747449 [0,3,0,0,0,0|0,0,1]=4 29197 B13R1.15 COC(=O)COc1cccc(c1)I 34a_100000211634_100000747449 [0,3,0,0,0,0|0,0,1]=4 29198 B13R1.15 COC(=O)COc1cccc(c1)I 7a_100000211634_100000747449 [0,3,0,0,0,0|0,0,1]=4 29199 B13R1.15 COC(=O)COc1cccc(c1)N 34a_100000210217_100000747449 [0,3,0,0,0,0|0,0,1]=4 29200 B13R1.15 COC(=O)COc1cccc(c1)O 271570a_203496583355_200000148702 [0,3,0,0,0,0|0,0,1]=4 29201 B13R1.15 Cc1cccc(c1)OCC(=O)CF 1458a_100000183606_100015361967 [0,3,0,0,0,0|0,0,1]=4 29202 B13R1.15 NNC(=O)COc1cccc(c1)O 271570a_203496583355_100000184228 [0,3,0,0,0,0|1,0,0]=4 29203 B13R1.15 O=C(CF)COc1cccc(c1)Br 1458a_100000182359_100015361967 [0,3,0,0,0,0|0,0,1]=4 29204 B13R1.15 O=C(CF)COc1cccc(c1)Cl 1458a_100000184978_100015361967 [0,3,0,0,0,0|0,0,1]=4 29205 B13R1.15 O=C(CF)COc1cccc(c1)F 1458a_100000182781_100015361967 [0,3,0,0,0,0|0,0,1]=4 29206 B13R1.20 C=CCC(=O)Cc1cccc(c1)Br 1458a_100000210193_100000211773 [0,3,0,0,0,0|1,0,0]=4 29207 B13R1.20 C=CCC(=O)Cc1cccc(c1)Br 1458a_100000747190_100000210623 [0,3,0,0,0,0|1,0,0]=4 29208 B13R1.20 C=CCC(=O)Cc1cccc(c1)C 1458a_100000210193_100000211840 [0,3,0,0,0,0|1,0,0]=4 29209 B13R1.20 C=CCC(=O)Cc1cccc(c1)C 1458a_100011206899_100000210623 [0,3,0,0,0,0|1,0,0]=4 29210 B13R1.20 C=CCC(=O)Cc1cccc(c1)Cl 1458a_100000210193_100000181238 [0,3,0,0,0,0|1,0,0]=4 29211 B13R1.20 C=CCC(=O)Cc1cccc(c1)Cl 1458a_100000749307_100000210623 [0,3,0,0,0,0|1,0,0]=4 29212 B13R1.20 C=CCC(=O)Cc1cccc(c1)F 1458a_100000210193_100000230114 [0,3,0,0,0,0|1,0,0]=4 29213 B13R1.20 C=CCC(=O)Cc1cccc(c1)F 1458a_100000211661_100000210623 [0,3,0,0,0,0|1,0,0]=4 29214 B13R1.20 C=CCC(=O)Cc1cccc(c1)I 1458a_100000210193_100011218688 [0,3,0,0,0,0|1,0,0]=4 29215 B13R1.20 C=CCC(=O)Cc1cccc(c1)I 1458a_100000238430_100000210623 [0,3,0,0,0,0|1,0,0]=4 29216 B13R1.20 C=CCC(=O)Cc1cccc(c1)O 1458a_100000210193_100011660834 [0,3,0,0,0,0|1,0,0]=4 29217 B13R1.20 C=CCC(=O)Cc1cccc(c1)O 1458a_100000745134_100000210623 [0,3,0,0,0,0|1,0,0]=4 29218 B13R1.20 C=CCC(=O)Nc1cccc(c1)Br 11a_100000210019_100000210193 [0,3,0,0,0,0|1,0,0]=4 29219 B13R1.20 C=CCC(=O)Nc1cccc(c1)Br 1626a_100000210019_100000210193 [0,3,0,0,0,0|1,0,0]=4 29220 B13R1.20 C=CCC(=O)Nc1cccc(c1)Br 22a_100000210019_100000210193 [0,3,0,0,0,0|1,0,0]=4 29221 B13R1.20 C=CCC(=O)Nc1cccc(c1)Br 527a_100000210019_100000210193 [0,3,0,0,0,0|1,0,0]=4 29222 B13R1.20 C=CCC(=O)Nc1cccc(c1)C 11a_100000188690_100000210193 [0,3,0,0,0,0|1,0,0]=4 29223 B13R1.20 C=CCC(=O)Nc1cccc(c1)C 1626a_100000188690_100000210193 [0,3,0,0,0,0|1,0,0]=4 29224 B13R1.20 C=CCC(=O)Nc1cccc(c1)C 22a_100000188690_100000210193 [0,3,0,0,0,0|1,0,0]=4 29225 B13R1.20 C=CCC(=O)Nc1cccc(c1)C 527a_100000188690_100000210193 [0,3,0,0,0,0|1,0,0]=4 29226 B13R1.20 C=CCC(=O)Nc1cccc(c1)Cl 11a_100000185859_100000210193 [0,3,0,0,0,0|1,0,0]=4 29227 B13R1.20 C=CCC(=O)Nc1cccc(c1)Cl 1626a_100000185859_100000210193 [0,3,0,0,0,0|1,0,0]=4 29228 B13R1.20 C=CCC(=O)Nc1cccc(c1)Cl 22a_100000185859_100000210193 [0,3,0,0,0,0|1,0,0]=4 29229 B13R1.20 C=CCC(=O)Nc1cccc(c1)F 11a_100000210047_100000210193 [0,3,0,0,0,0|1,0,0]=4 29230 B13R1.20 C=CCC(=O)Nc1cccc(c1)F 1626a_100000210047_100000210193 [0,3,0,0,0,0|1,0,0]=4 29231 B13R1.20 C=CCC(=O)Nc1cccc(c1)F 22a_100000210047_100000210193 [0,3,0,0,0,0|1,0,0]=4 29232 B13R1.20 C=CCC(=O)Nc1cccc(c1)F 527a_100000210047_100000210193 [0,3,0,0,0,0|1,0,0]=4 29233 B13R1.20 C=CCC(=O)Nc1cccc(c1)I 11a_100000211102_100000210193 [0,3,0,0,0,0|1,0,0]=4 29234 B13R1.20 C=CCC(=O)Nc1cccc(c1)I 1626a_100000211102_100000210193 [0,3,0,0,0,0|1,0,0]=4 29235 B13R1.20 C=CCC(=O)Nc1cccc(c1)I 22a_100000211102_100000210193 [0,3,0,0,0,0|1,0,0]=4 29236 B13R1.20 C=CCC(=O)Nc1cccc(c1)I 527a_100000211102_100000210193 [0,3,0,0,0,0|1,0,0]=4 29237 B13R1.20 C=CCC(=O)Nc1cccc(c1)O 1626a_100000210217_100000210193 [0,3,0,0,0,0|1,0,0]=4 29238 B13R1.20 C=CCC(=O)Nc1cccc(c1)O 22a_100000210217_100000210193 [0,3,0,0,0,0|1,0,0]=4 29239 B13R1.20 C=CCC(=O)Nc1cccc(c1)O 527a_100000210217_100000210193 [0,3,0,0,0,0|1,0,0]=4 29240 B13R1.20 C=CCN(C)Cc1cccc(c1)Br 2230a_100000187585_100000210623 [0,3,0,0,0,0|1,0,0]=4 29241 B13R1.20 C=CCN(C)Cc1cccc(c1)Br 2230a_100000225617_100000698116 [0,3,0,0,0,0|1,0,0]=4 29242 B13R1.20 C=CCN(C)Cc1cccc(c1)Br 2230a_100015185876_200000210301 [0,3,0,0,0,0|1,0,0]=4 29243 B13R1.20 C=CCN(C)Cc1cccc(c1)Br 269982a_100000187585_100000210623 [0,3,0,0,0,0|1,0,0]=4 29244 B13R1.20 C=CCN(C)Cc1cccc(c1)Br 269982a_100000225617_100000211773 [0,3,0,0,0,0|1,0,0]=4 29245 B13R1.20 C=CCN(C)Cc1cccc(c1)Br 269982a_100015185876_200000210301 [0,3,0,0,0,0|1,0,0]=4 29246 B13R1.20 C=CCN(C)Cc1cccc(c1)Br 26a_100000225617_100000210342 [0,3,0,0,0,0|1,0,0]=4 29247 B13R1.20 C=CCN(C)Cc1cccc(c1)Br 270004a_100000225617_100000210085 [0,3,0,0,0,0|1,0,0]=4 29248 B13R1.20 C=CCN(C)Cc1cccc(c1)C 2230a_100000225617_100000211840 [0,3,0,0,0,0|1,0,0]=4 29249 B13R1.20 C=CCN(C)Cc1cccc(c1)C 2230a_102495364743_100000210623 [0,3,0,0,0,0|1,0,0]=4 29250 B13R1.20 C=CCN(C)Cc1cccc(c1)C 269982a_100000225617_100000211840 [0,3,0,0,0,0|1,0,0]=4 29251 B13R1.20 C=CCN(C)Cc1cccc(c1)C 269982a_102495364743_100000210623 [0,3,0,0,0,0|1,0,0]=4 29252 B13R1.20 C=CCN(C)Cc1cccc(c1)C 270004a_100000225617_100000211157 [0,3,0,0,0,0|1,0,0]=4 29253 B13R1.20 C=CCN(C)Cc1cccc(c1)C 34a_102495364743_100015514636 [0,3,0,0,0,0|1,0,0]=4 29254 B13R1.20 C=CCN(C)Cc1cccc(c1)Cl 2230a_100000225617_100000181238 [0,3,0,0,0,0|1,0,0]=4 29255 B13R1.20 C=CCN(C)Cc1cccc(c1)Cl 2230a_100020629429_100000210623 [0,3,0,0,0,0|1,0,0]=4 29256 B13R1.20 C=CCN(C)Cc1cccc(c1)Cl 269982a_100000225617_100000181238 [0,3,0,0,0,0|1,0,0]=4 29257 B13R1.20 C=CCN(C)Cc1cccc(c1)Cl 269982a_100020629429_100000210623 [0,3,0,0,0,0|1,0,0]=4 29258 B13R1.20 C=CCN(C)Cc1cccc(c1)Cl 270004a_100000225617_100000210801 [0,3,0,0,0,0|1,0,0]=4 29259 B13R1.20 C=CCN(C)Cc1cccc(c1)F 2230a_100000184398_100000210623 [0,3,0,0,0,0|1,0,0]=4 29260 B13R1.20 C=CCN(C)Cc1cccc(c1)F 2230a_100000196241_200000210301 [0,3,0,0,0,0|1,0,0]=4 29261 B13R1.20 C=CCN(C)Cc1cccc(c1)F 2230a_100000225617_100000230114 [0,3,0,0,0,0|1,0,0]=4 29262 B13R1.20 C=CCN(C)Cc1cccc(c1)F 269982a_100000184398_100000210623 [0,3,0,0,0,0|1,0,0]=4 29263 B13R1.20 C=CCN(C)Cc1cccc(c1)F 269982a_100000196241_200000210301 [0,3,0,0,0,0|1,0,0]=4 29264 B13R1.20 C=CCN(C)Cc1cccc(c1)F 269982a_100000225617_100000230114 [0,3,0,0,0,0|1,0,0]=4 29265 B13R1.20 C=CCN(C)Cc1cccc(c1)F 270004a_100000225617_100000210812 [0,3,0,0,0,0|1,0,0]=4 29266 B13R1.20 C=CCN(C)Cc1cccc(c1)F 34a_100000184398_100015514636 [0,3,0,0,0,0|1,0,0]=4 29267 B13R1.20 C=CCN(C)Cc1cccc(c1)F 34a_100000196241_200000210301 [0,3,0,0,0,0|1,0,0]=4 29268 B13R1.20 C=CCN(C)Cc1cccc(c1)I 2230a_100000225617_100011218688 [0,3,0,0,0,0|1,0,0]=4 29269 B13R1.20 C=CCN(C)Cc1cccc(c1)I 269982a_100000225617_100011218688 [0,3,0,0,0,0|1,0,0]=4 29270 B13R1.20 C=CCN(C)Cc1cccc(c1)I 270004a_100000225617_100000014684 [0,3,0,0,0,0|1,0,0]=4 29271 B13R1.20 C=CCN(C)Cc1cccc(c1)O 2230a_100000207540_100000210623 [0,3,0,0,0,0|1,0,0]=4 29272 B13R1.20 C=CCN(C)Cc1cccc(c1)O 2230a_100000225617_100011660834 [0,3,0,0,0,0|1,0,0]=4 29273 B13R1.20 C=CCN(C)Cc1cccc(c1)O 269982a_100000207540_100000210623 [0,3,0,0,0,0|1,0,0]=4 29274 B13R1.20 C=CCN(C)Cc1cccc(c1)O 269982a_100000225617_100000084143 [0,3,0,0,0,0|1,0,0]=4 29275 B13R1.20 C=CCN(C)Cc1cccc(c1)O 270004a_100000225617_100000188321 [0,3,0,0,0,0|1,0,0]=4 29276 B13R1.20 C=CCN([13CH3])Cc1cccc(c1)Br 2230a_100015185876_200025704644 [0,3,0,0,0,0|1,0,0]=4 29277 B13R1.20 C=CCN([13CH3])Cc1cccc(c1)Br 269982a_100015185876_200025704644 [0,3,0,0,0,0|1,0,0]=4 29278 B13R1.20 C=CCN([13CH3])Cc1cccc(c1)F 2230a_100000196241_200025704644 [0,3,0,0,0,0|1,0,0]=4 29279 B13R1.20 C=CCN([13CH3])Cc1cccc(c1)F 269982a_100000196241_200025704644 [0,3,0,0,0,0|1,0,0]=4 29280 B13R1.20 C=CCN([13CH3])Cc1cccc(c1)F 34a_100000196241_200025704644 [0,3,0,0,0,0|1,0,0]=4 29281 B13R1.55 C/C=C/CNc1cc(cc(c1)Br)Br 34a_100012047176_100102629194 [0,3,0,0,0,0|1,0,0]=4 29282 B13R1.55 C/C=C/CNc1cc(cc(c1)Br)Br 7a_100012047176_100102629194 [0,3,0,0,0,0|1,0,0]=4 29283 B13R1.55 C/C=C/CNc1cc(cc(c1)Br)C 34a_100000695972_100102629194 [0,3,0,0,0,0|1,0,0]=4 29284 B13R1.55 C/C=C/CNc1cc(cc(c1)Br)C 7a_100000695972_100102629194 [0,3,0,0,0,0|1,0,0]=4 29285 B13R1.55 C/C=C/CNc1cc(cc(c1)Br)Cl 34a_100011934539_100102629194 [0,3,0,0,0,0|1,0,0]=4 29286 B13R1.55 C/C=C/CNc1cc(cc(c1)Br)Cl 7a_100011934539_100102629194 [0,3,0,0,0,0|1,0,0]=4 29287 B13R1.55 C/C=C/CNc1cc(cc(c1)Br)F 34a_100000705686_100102629194 [0,3,0,0,0,0|1,0,0]=4 29288 B13R1.55 C/C=C/CNc1cc(cc(c1)Br)F 7a_100000705686_100102629194 [0,3,0,0,0,0|1,0,0]=4 29289 B13R1.55 C/C=C/CNc1cc(cc(c1)C)C 34a_100000210930_100102629194 [0,3,0,0,0,0|1,0,0]=4 29290 B13R1.55 C/C=C/CNc1cc(cc(c1)C)C 7a_100000210930_100102629194 [0,3,0,0,0,0|1,0,0]=4 29291 B13R1.55 C/C=C/CNc1cc(cc(c1)Cl)C 34a_100012022512_100102629194 [0,3,0,0,0,0|1,0,0]=4 29292 B13R1.55 C/C=C/CNc1cc(cc(c1)Cl)C 7a_100012022512_100102629194 [0,3,0,0,0,0|1,0,0]=4 29293 B13R1.55 C/C=C/CNc1cc(cc(c1)Cl)Cl 34a_100000210456_100102629194 [0,3,0,0,0,0|1,0,0]=4 29294 B13R1.55 C/C=C/CNc1cc(cc(c1)Cl)Cl 7a_100000210456_100102629194 [0,3,0,0,0,0|1,0,0]=4 29295 B13R1.55 C/C=C/CNc1cc(cc(c1)Cl)F 34a_100000686136_100102629194 [0,3,0,0,0,0|1,0,0]=4 29296 B13R1.55 C/C=C/CNc1cc(cc(c1)Cl)F 7a_100000686136_100102629194 [0,3,0,0,0,0|1,0,0]=4 29297 B13R1.55 C/C=C/CNc1cc(cc(c1)Cl)O 34a_100000123917_100102629194 [0,3,0,0,0,0|1,0,0]=4 29298 B13R1.55 C/C=C/CNc1cc(cc(c1)Cl)O 7a_100000123917_100102629194 [0,3,0,0,0,0|1,0,0]=4 29299 B13R1.55 C/C=C/CNc1cc(cc(c1)F)C 34a_100000742734_100102629194 [0,3,0,0,0,0|1,0,0]=4 29300 B13R1.55 C/C=C/CNc1cc(cc(c1)F)C 7a_100000742734_100102629194 [0,3,0,0,0,0|1,0,0]=4 29301 B13R1.55 C/C=C/CNc1cc(cc(c1)F)F 34a_100000233717_100102629194 [0,3,0,0,0,0|1,0,0]=4 29302 B13R1.55 C/C=C/CNc1cc(cc(c1)F)F 7a_100000233717_100102629194 [0,3,0,0,0,0|1,0,0]=4 29303 B13R1.55 C/C=C/CNc1cc(cc(c1)I)Br 7a_100009814763_100102629194 [0,3,0,0,0,0|1,0,0]=4 29304 B13R1.55 C/C=C/CNc1cc(cc(c1)I)Cl 7a_100010147676_100102629194 [0,3,0,0,0,0|1,0,0]=4 29305 B13R1.55 C/C=C/CNc1cc(cc(c1)I)F 34a_100011356972_100102629194 [0,3,0,0,0,0|1,0,0]=4 29306 B13R1.55 C/C=C/CNc1cc(cc(c1)I)F 7a_100011356972_100102629194 [0,3,0,0,0,0|1,0,0]=4 29307 B13R1.55 C/C=C/CNc1cc(cc(c1)I)I 7a_200000696836_100102629194 [0,3,0,0,0,0|1,0,0]=4 29308 B13R1.55 C/C=C/CNc1cc(cc(c1)O)C 34a_100011995906_100102629194 [0,3,0,0,0,0|1,0,0]=4 29309 B13R1.55 C/C=C/CNc1cc(cc(c1)O)C 7a_100011995906_100102629194 [0,3,0,0,0,0|1,0,0]=4 29310 B13R1.55 C/C=C/CNc1cc(cc(c1)O)O 34a_100000043371_100102629194 [0,3,0,0,0,0|1,0,0]=4 29311 B13R1.55 C/C=C/COc1cc(=O)cc(o1)C 34a_100016989201_100102629194 [0,3,0,0,0,0|1,0,0]=4 29312 B13R1.55 C/C=C/COc1cc([nH]c(=O)c1)C 34a_100000039070_100102629194 [0,3,0,0,0,0|1,0,0]=4 29313 B13R1.55 C/C=C/COc1cc(cc(c1)Br)Br 34a_100010167048_100102629194 [0,3,0,0,0,0|0,0,0]=3 29314 B13R1.55 C/C=C/COc1cc(cc(c1)Br)Br 7a_100010167048_100102629194 [0,3,0,0,0,0|0,0,0]=3 29315 B13R1.55 C/C=C/COc1cc(cc(c1)Br)C 34a_100011999630_100102629194 [0,3,0,0,0,0|0,0,0]=3 29316 B13R1.55 C/C=C/COc1cc(cc(c1)Br)C 7a_100011999630_100102629194 [0,3,0,0,0,0|0,0,0]=3 29317 B13R1.55 C/C=C/COc1cc(cc(c1)Br)Cl 34a_100010185897_100102629194 [0,3,0,0,0,0|0,0,0]=3 29318 B13R1.55 C/C=C/COc1cc(cc(c1)Br)Cl 7a_100010185897_100102629194 [0,3,0,0,0,0|0,0,0]=3 29319 B13R1.55 C/C=C/COc1cc(cc(c1)Br)F 34a_100000688818_100102629194 [0,3,0,0,0,0|0,0,0]=3 29320 B13R1.55 C/C=C/COc1cc(cc(c1)Br)F 7a_100000688818_100102629194 [0,3,0,0,0,0|0,0,0]=3 29321 B13R1.55 C/C=C/COc1cc(cc(c1)C)C 34a_100000210933_100102629194 [0,3,0,0,0,0|0,0,0]=3 29322 B13R1.55 C/C=C/COc1cc(cc(c1)C)C 7a_100000210933_100102629194 [0,3,0,0,0,0|0,0,0]=3 29323 B13R1.55 C/C=C/COc1cc(cc(c1)Cl)C 34a_100000087485_100102629194 [0,3,0,0,0,0|0,0,0]=3 29324 B13R1.55 C/C=C/COc1cc(cc(c1)Cl)C 7a_100000087485_100102629194 [0,3,0,0,0,0|0,0,0]=3 29325 B13R1.55 C/C=C/COc1cc(cc(c1)Cl)Cl 34a_100000181315_100102629194 [0,3,0,0,0,0|0,0,0]=3 29326 B13R1.55 C/C=C/COc1cc(cc(c1)Cl)Cl 7a_100000181315_100102629194 [0,3,0,0,0,0|0,0,0]=3 29327 B13R1.55 C/C=C/COc1cc(cc(c1)Cl)F 34a_100011219751_100102629194 [0,3,0,0,0,0|0,0,0]=3 29328 B13R1.55 C/C=C/COc1cc(cc(c1)Cl)F 7a_100011219751_100102629194 [0,3,0,0,0,0|0,0,0]=3 29329 B13R1.55 C/C=C/COc1cc(cc(c1)Cl)N 34a_100000123917_100102629194 [0,3,0,0,0,0|0,0,0]=3 29330 B13R1.55 C/C=C/COc1cc(cc(c1)Cl)N 7a_100000123917_100102629194 [0,3,0,0,0,0|0,0,0]=3 29331 B13R1.55 C/C=C/COc1cc(cc(c1)F)C 34a_100011830401_100102629194 [0,3,0,0,0,0|0,0,0]=3 29332 B13R1.55 C/C=C/COc1cc(cc(c1)F)C 7a_100011830401_100102629194 [0,3,0,0,0,0|0,0,0]=3 29333 B13R1.55 C/C=C/COc1cc(cc(c1)F)F 34a_100000747503_100102629194 [0,3,0,0,0,0|0,0,0]=3 29334 B13R1.55 C/C=C/COc1cc(cc(c1)F)F 7a_100000747503_100102629194 [0,3,0,0,0,0|0,0,0]=3 29335 B13R1.55 C/C=C/COc1cc(cc(c1)I)Br 34a_100010068917_100102629194 [0,3,0,0,0,0|0,0,0]=3 29336 B13R1.55 C/C=C/COc1cc(cc(c1)I)Br 7a_100010068917_100102629194 [0,3,0,0,0,0|0,0,0]=3 29337 B13R1.55 C/C=C/COc1cc(cc(c1)I)Cl 34a_100010068924_100102629194 [0,3,0,0,0,0|0,0,0]=3 29338 B13R1.55 C/C=C/COc1cc(cc(c1)I)Cl 7a_100010068924_100102629194 [0,3,0,0,0,0|0,0,0]=3 29339 B13R1.55 C/C=C/COc1cc(cc(c1)I)F 34a_100000717995_100102629194 [0,3,0,0,0,0|0,0,0]=3 29340 B13R1.55 C/C=C/COc1cc(cc(c1)I)F 7a_100000717995_100102629194 [0,3,0,0,0,0|0,0,0]=3 29341 B13R1.55 C/C=C/COc1cc(cc(c1)N)C 34a_100011995906_100102629194 [0,3,0,0,0,0|0,0,0]=3 29342 B13R1.55 C/C=C/COc1cc(cc(c1)N)C 7a_100011995906_100102629194 [0,3,0,0,0,0|0,0,0]=3 29343 B13R1.55 C/C=C/COc1cc(nc(c1)Br)Br 34a_100010172823_100102629194 [0,3,0,0,0,0|1,0,0]=4 29344 B13R1.55 C/C=C/COc1cc(nc(c1)Br)Br 7a_100010172823_100102629194 [0,3,0,0,0,0|1,0,0]=4 29345 B13R1.55 C/C=C/COc1cc(oc(=O)c1)C 34a_100000210952_100102629194 [0,3,0,0,0,0|1,0,0]=4 29346 B13R1.55 C/C=C/COc1cc(oc(=O)c1)C 7a_100000210952_100102629194 [0,3,0,0,0,0|1,0,0]=4 29347 B13R1.55 C/C=C/CSc1cc(cc(c1)Br)Br 62a_100009814770_100102629194 [0,3,0,0,0,0|0,1,0]=4 29348 B13R1.55 C/C=C/CSc1cc(cc(c1)Br)Br 62a_100102629194_100009814770 [0,3,0,0,0,0|0,1,0]=4 29349 B13R1.55 C/C=C/CSc1cc(cc(c1)Br)Cl 62a_100009814755_100102629194 [0,3,0,0,0,0|0,1,0]=4 29350 B13R1.55 C/C=C/CSc1cc(cc(c1)Br)Cl 62a_100102629194_100009814755 [0,3,0,0,0,0|0,1,0]=4 29351 B13R1.55 C/C=C/CSc1cc(cc(c1)Br)F 62a_100009814764_100102629194 [0,3,0,0,0,0|0,1,0]=4 29352 B13R1.55 C/C=C/CSc1cc(cc(c1)Br)F 62a_100102629194_100009814764 [0,3,0,0,0,0|0,1,0]=4 29353 B13R1.55 C/C=C/CSc1cc(cc(c1)Br)N 62a_100009814763_100102629194 [0,3,0,0,0,0|0,1,0]=4 29354 B13R1.55 C/C=C/CSc1cc(cc(c1)Br)N 62a_100102629194_100009814763 [0,3,0,0,0,0|0,1,0]=4 29355 B13R1.55 C/C=C/CSc1cc(cc(c1)Br)O 62a_100010068917_100102629194 [0,3,0,0,0,0|0,1,0]=4 29356 B13R1.55 C/C=C/CSc1cc(cc(c1)Br)O 62a_100102629194_100010068917 [0,3,0,0,0,0|0,1,0]=4 29357 B13R1.55 C/C=C/CSc1cc(cc(c1)C)C 62a_100011215608_100102629194 [0,3,0,0,0,0|0,1,0]=4 29358 B13R1.55 C/C=C/CSc1cc(cc(c1)C)C 62a_100102629194_100011215608 [0,3,0,0,0,0|0,1,0]=4 29359 B13R1.55 C/C=C/CSc1cc(cc(c1)Cl)C 62a_100010172791_100102629194 [0,3,0,0,0,0|0,1,0]=4 29360 B13R1.55 C/C=C/CSc1cc(cc(c1)Cl)C 62a_100102629194_100010172791 [0,3,0,0,0,0|0,1,0]=4 29361 B13R1.55 C/C=C/CSc1cc(cc(c1)Cl)Cl 62a_100000747138_100102629194 [0,3,0,0,0,0|0,1,0]=4 29362 B13R1.55 C/C=C/CSc1cc(cc(c1)Cl)Cl 62a_100102629194_100000747138 [0,3,0,0,0,0|0,1,0]=4 29363 B13R1.55 C/C=C/CSc1cc(cc(c1)Cl)F 62a_100013859453_100102629194 [0,3,0,0,0,0|0,1,0]=4 29364 B13R1.55 C/C=C/CSc1cc(cc(c1)Cl)F 62a_100102629194_100013859453 [0,3,0,0,0,0|0,1,0]=4 29365 B13R1.55 C/C=C/CSc1cc(cc(c1)Cl)N 62a_100010147676_100102629194 [0,3,0,0,0,0|0,1,0]=4 29366 B13R1.55 C/C=C/CSc1cc(cc(c1)Cl)N 62a_100102629194_100010147676 [0,3,0,0,0,0|0,1,0]=4 29367 B13R1.55 C/C=C/CSc1cc(cc(c1)Cl)O 62a_100010068924_100102629194 [0,3,0,0,0,0|0,1,0]=4 29368 B13R1.55 C/C=C/CSc1cc(cc(c1)Cl)O 62a_100102629194_100010068924 [0,3,0,0,0,0|0,1,0]=4 29369 B13R1.55 C/C=C/CSc1cc(cc(c1)F)C 62a_100011356977_100102629194 [0,3,0,0,0,0|0,1,0]=4 29370 B13R1.55 C/C=C/CSc1cc(cc(c1)F)C 62a_100102629194_100011356977 [0,3,0,0,0,0|0,1,0]=4 29371 B13R1.55 C/C=C/CSc1cc(cc(c1)F)F 62a_100000233788_100102629194 [0,3,0,0,0,0|0,1,0]=4 29372 B13R1.55 C/C=C/CSc1cc(cc(c1)F)F 62a_100102629194_100000233788 [0,3,0,0,0,0|0,1,0]=4 29373 B13R1.55 C/C=C/CSc1cc(cc(c1)F)N 62a_100011356972_100102629194 [0,3,0,0,0,0|0,1,0]=4 29374 B13R1.55 C/C=C/CSc1cc(cc(c1)F)N 62a_100102629194_100011356972 [0,3,0,0,0,0|0,1,0]=4 29375 B13R1.55 C/C=C/CSc1cc(cc(c1)F)O 62a_100000688818_100102629194 [0,3,0,0,0,0|0,1,0]=4 29376 B13R1.55 C/C=C/CSc1cc(cc(c1)F)O 62a_100102629194_100000688818 [0,3,0,0,0,0|0,1,0]=4 29377 B13R1.55 C/C=C/CSc1cc(cc(c1)N)C 62a_100000695972_100102629194 [0,3,0,0,0,0|0,1,0]=4 29378 B13R1.55 C/C=C/CSc1cc(cc(c1)N)C 62a_100102629194_100000695972 [0,3,0,0,0,0|0,1,0]=4 29379 B13R1.55 C/C=C/CSc1cc(cc(c1)N)N 62a_100011999608_100102629194 [0,3,0,0,0,0|0,1,0]=4 29380 B13R1.55 C/C=C/CSc1cc(cc(c1)N)N 62a_100102629194_100011999608 [0,3,0,0,0,0|0,1,0]=4 29381 B13R1.55 C/C=C/CSc1cc(cc(c1)O)C 62a_100102629194_100011999630 [0,3,0,0,0,0|0,1,0]=4 29382 B13R1.55 C/C=C/CSc1cc(cc(c1)O)O 62a_100102629194_100009868816 [0,3,0,0,0,0|0,1,0]=4 29383 B13R1.55 C=CCCNc1cc(cc(c1)Br)Br 27a_100015191253_100009814770 [0,3,0,0,0,0|1,0,0]=4 29384 B13R1.55 C=CCCNc1cc(cc(c1)Br)Br 34a_100012047176_100000754431 [0,3,0,0,0,0|1,0,0]=4 29385 B13R1.55 C=CCCNc1cc(cc(c1)Br)Br 7a_100012047176_100000754431 [0,3,0,0,0,0|1,0,0]=4 29386 B13R1.55 C=CCCNc1cc(cc(c1)Br)C 34a_100000695972_100000754431 [0,3,0,0,0,0|1,0,0]=4 29387 B13R1.55 C=CCCNc1cc(cc(c1)Br)C 7a_100000695972_100000754431 [0,3,0,0,0,0|1,0,0]=4 29388 B13R1.55 C=CCCNc1cc(cc(c1)Br)Cl 34a_100011934539_100000754431 [0,3,0,0,0,0|1,0,0]=4 29389 B13R1.55 C=CCCNc1cc(cc(c1)Br)Cl 7a_100011934539_100000754431 [0,3,0,0,0,0|1,0,0]=4 29390 B13R1.55 C=CCCNc1cc(cc(c1)Br)F 34a_100000705686_100000754431 [0,3,0,0,0,0|1,0,0]=4 29391 B13R1.55 C=CCCNc1cc(cc(c1)Br)F 7a_100000705686_100000754431 [0,3,0,0,0,0|1,0,0]=4 29392 B13R1.55 C=CCCNc1cc(cc(c1)C)C 2230a_100000210930_100000754431 [0,3,0,0,0,0|1,0,0]=4 29393 B13R1.55 C=CCCNc1cc(cc(c1)C)C 34a_100000210930_100000754431 [0,3,0,0,0,0|1,0,0]=4 29394 B13R1.55 C=CCCNc1cc(cc(c1)C)C 7a_100000210930_100000754431 [0,3,0,0,0,0|1,0,0]=4 29395 B13R1.55 C=CCCNc1cc(cc(c1)Cl)C 2230a_100012022512_100000754431 [0,3,0,0,0,0|1,0,0]=4 29396 B13R1.55 C=CCCNc1cc(cc(c1)Cl)C 34a_100012022512_100000754431 [0,3,0,0,0,0|1,0,0]=4 29397 B13R1.55 C=CCCNc1cc(cc(c1)Cl)C 7a_100012022512_100000754431 [0,3,0,0,0,0|1,0,0]=4 29398 B13R1.55 C=CCCNc1cc(cc(c1)Cl)Cl 34a_100000210456_100000754431 [0,3,0,0,0,0|1,0,0]=4 29399 B13R1.55 C=CCCNc1cc(cc(c1)Cl)Cl 7a_100000210456_100000754431 [0,3,0,0,0,0|1,0,0]=4 29400 B13R1.55 C=CCCNc1cc(cc(c1)Cl)F 34a_100000686136_100000754431 [0,3,0,0,0,0|1,0,0]=4 29401 B13R1.55 C=CCCNc1cc(cc(c1)Cl)F 7a_100000686136_100000754431 [0,3,0,0,0,0|1,0,0]=4 29402 B13R1.55 C=CCCNc1cc(cc(c1)Cl)O 34a_100000123917_100000754431 [0,3,0,0,0,0|1,0,0]=4 29403 B13R1.55 C=CCCNc1cc(cc(c1)Cl)O 7a_100000123917_100000754431 [0,3,0,0,0,0|1,0,0]=4 29404 B13R1.55 C=CCCNc1cc(cc(c1)F)C 2230a_100000742734_100000754431 [0,3,0,0,0,0|1,0,0]=4 29405 B13R1.55 C=CCCNc1cc(cc(c1)F)C 34a_100000742734_100000754431 [0,3,0,0,0,0|1,0,0]=4 29406 B13R1.55 C=CCCNc1cc(cc(c1)F)C 7a_100000742734_100000754431 [0,3,0,0,0,0|1,0,0]=4 29407 B13R1.55 C=CCCNc1cc(cc(c1)F)F 34a_100000233717_100000754431 [0,3,0,0,0,0|1,0,0]=4 29408 B13R1.55 C=CCCNc1cc(cc(c1)F)F 7a_100000233717_100000754431 [0,3,0,0,0,0|1,0,0]=4 29409 B13R1.55 C=CCCNc1cc(cc(c1)I)Br 7a_100009814763_100000754431 [0,3,0,0,0,0|1,0,0]=4 29410 B13R1.55 C=CCCNc1cc(cc(c1)I)Cl 7a_100010147676_100000754431 [0,3,0,0,0,0|1,0,0]=4 29411 B13R1.55 C=CCCNc1cc(cc(c1)I)F 34a_100011356972_100000754431 [0,3,0,0,0,0|1,0,0]=4 29412 B13R1.55 C=CCCNc1cc(cc(c1)I)F 7a_100011356972_100000754431 [0,3,0,0,0,0|1,0,0]=4 29413 B13R1.55 C=CCCNc1cc(cc(c1)I)I 7a_200000696836_100000754431 [0,3,0,0,0,0|1,0,0]=4 29414 B13R1.55 C=CCCNc1cc(cc(c1)O)C 34a_100011995906_100000754431 [0,3,0,0,0,0|1,0,0]=4 29415 B13R1.55 C=CCCNc1cc(cc(c1)O)C 7a_100011995906_100000754431 [0,3,0,0,0,0|1,0,0]=4 29416 B13R1.55 C=CCCNc1cc(cc(c1)O)O 34a_100000043371_100000754431 [0,3,0,0,0,0|1,0,0]=4 29417 B13R1.55 C=CCCOc1cc(=O)cc(o1)C 34a_100016989201_100000754431 [0,3,0,0,0,0|1,0,0]=4 29418 B13R1.55 C=CCCOc1cc([nH]c(=O)c1)C 34a_100000039070_100000754431 [0,3,0,0,0,0|1,0,0]=4 29419 B13R1.55 C=CCCOc1cc(cc(c1)Br)Br 34a_100010167048_100000754431 [0,3,0,0,0,0|0,0,0]=3 29420 B13R1.55 C=CCCOc1cc(cc(c1)Br)Br 7a_100010167048_100000754431 [0,3,0,0,0,0|0,0,0]=3 29421 B13R1.55 C=CCCOc1cc(cc(c1)Br)C 34a_100011999630_100000754431 [0,3,0,0,0,0|0,0,0]=3 29422 B13R1.55 C=CCCOc1cc(cc(c1)Br)C 7a_100011999630_100000754431 [0,3,0,0,0,0|0,0,0]=3 29423 B13R1.55 C=CCCOc1cc(cc(c1)Br)Cl 34a_100010185897_100000754431 [0,3,0,0,0,0|0,0,0]=3 29424 B13R1.55 C=CCCOc1cc(cc(c1)Br)Cl 7a_100010185897_100000754431 [0,3,0,0,0,0|0,0,0]=3 29425 B13R1.55 C=CCCOc1cc(cc(c1)Br)F 34a_100000688818_100000754431 [0,3,0,0,0,0|0,0,0]=3 29426 B13R1.55 C=CCCOc1cc(cc(c1)Br)F 7a_100000688818_100000754431 [0,3,0,0,0,0|0,0,0]=3 29427 B13R1.55 C=CCCOc1cc(cc(c1)C)C 34a_100000210933_100000754431 [0,3,0,0,0,0|0,0,0]=3 29428 B13R1.55 C=CCCOc1cc(cc(c1)C)C 7a_100000210933_100000754431 [0,3,0,0,0,0|0,0,0]=3 29429 B13R1.55 C=CCCOc1cc(cc(c1)Cl)C 34a_100000087485_100000754431 [0,3,0,0,0,0|0,0,0]=3 29430 B13R1.55 C=CCCOc1cc(cc(c1)Cl)C 7a_100000087485_100000754431 [0,3,0,0,0,0|0,0,0]=3 29431 B13R1.55 C=CCCOc1cc(cc(c1)Cl)Cl 34a_100000181315_100000754431 [0,3,0,0,0,0|0,0,0]=3 29432 B13R1.55 C=CCCOc1cc(cc(c1)Cl)Cl 7a_100000181315_100000754431 [0,3,0,0,0,0|0,0,0]=3 29433 B13R1.55 C=CCCOc1cc(cc(c1)Cl)F 34a_100011219751_100000754431 [0,3,0,0,0,0|0,0,0]=3 29434 B13R1.55 C=CCCOc1cc(cc(c1)Cl)F 7a_100011219751_100000754431 [0,3,0,0,0,0|0,0,0]=3 29435 B13R1.55 C=CCCOc1cc(cc(c1)Cl)N 34a_100000123917_100000754431 [0,3,0,0,0,0|0,0,0]=3 29436 B13R1.55 C=CCCOc1cc(cc(c1)Cl)N 7a_100000123917_100000754431 [0,3,0,0,0,0|0,0,0]=3 29437 B13R1.55 C=CCCOc1cc(cc(c1)F)C 34a_100011830401_100000754431 [0,3,0,0,0,0|0,0,0]=3 29438 B13R1.55 C=CCCOc1cc(cc(c1)F)C 7a_100011830401_100000754431 [0,3,0,0,0,0|0,0,0]=3 29439 B13R1.55 C=CCCOc1cc(cc(c1)F)F 34a_100000747503_100000754431 [0,3,0,0,0,0|0,0,0]=3 29440 B13R1.55 C=CCCOc1cc(cc(c1)F)F 7a_100000747503_100000754431 [0,3,0,0,0,0|0,0,0]=3 29441 B13R1.55 C=CCCOc1cc(cc(c1)I)Br 34a_100010068917_100000754431 [0,3,0,0,0,0|0,0,0]=3 29442 B13R1.55 C=CCCOc1cc(cc(c1)I)Br 7a_100010068917_100000754431 [0,3,0,0,0,0|0,0,0]=3 29443 B13R1.55 C=CCCOc1cc(cc(c1)I)Cl 34a_100010068924_100000754431 [0,3,0,0,0,0|0,0,0]=3 29444 B13R1.55 C=CCCOc1cc(cc(c1)I)Cl 7a_100010068924_100000754431 [0,3,0,0,0,0|0,0,0]=3 29445 B13R1.55 C=CCCOc1cc(cc(c1)I)F 34a_100000717995_100000754431 [0,3,0,0,0,0|0,0,0]=3 29446 B13R1.55 C=CCCOc1cc(cc(c1)I)F 7a_100000717995_100000754431 [0,3,0,0,0,0|0,0,0]=3 29447 B13R1.55 C=CCCOc1cc(cc(c1)N)C 34a_100011995906_100000754431 [0,3,0,0,0,0|0,0,0]=3 29448 B13R1.55 C=CCCOc1cc(cc(c1)N)C 7a_100011995906_100000754431 [0,3,0,0,0,0|0,0,0]=3 29449 B13R1.55 C=CCCOc1cc(nc(c1)Br)Br 34a_100010172823_100000754431 [0,3,0,0,0,0|1,0,0]=4 29450 B13R1.55 C=CCCOc1cc(nc(c1)Br)Br 7a_100010172823_100000754431 [0,3,0,0,0,0|1,0,0]=4 29451 B13R1.55 C=CCCOc1cc(oc(=O)c1)C 34a_100000210952_100000754431 [0,3,0,0,0,0|1,0,0]=4 29452 B13R1.55 C=CCCOc1cc(oc(=O)c1)C 7a_100000210952_100000754431 [0,3,0,0,0,0|1,0,0]=4 29453 B13R1.55 C=CCCSc1cc(cc(c1)Br)Br 62a_100000754431_100009814770 [0,3,0,0,0,0|0,1,0]=4 29454 B13R1.55 C=CCCSc1cc(cc(c1)Br)Br 62a_100009814770_100000754431 [0,3,0,0,0,0|0,1,0]=4 29455 B13R1.55 C=CCCSc1cc(cc(c1)Br)Cl 62a_100000754431_100009814755 [0,3,0,0,0,0|0,1,0]=4 29456 B13R1.55 C=CCCSc1cc(cc(c1)Br)Cl 62a_100009814755_100000754431 [0,3,0,0,0,0|0,1,0]=4 29457 B13R1.55 C=CCCSc1cc(cc(c1)Br)F 62a_100000754431_100009814764 [0,3,0,0,0,0|0,1,0]=4 29458 B13R1.55 C=CCCSc1cc(cc(c1)Br)F 62a_100009814764_100000754431 [0,3,0,0,0,0|0,1,0]=4 29459 B13R1.55 C=CCCSc1cc(cc(c1)Br)N 62a_100000754431_100009814763 [0,3,0,0,0,0|0,1,0]=4 29460 B13R1.55 C=CCCSc1cc(cc(c1)Br)N 62a_100009814763_100000754431 [0,3,0,0,0,0|0,1,0]=4 29461 B13R1.55 C=CCCSc1cc(cc(c1)Br)O 62a_100000754431_100010068917 [0,3,0,0,0,0|0,1,0]=4 29462 B13R1.55 C=CCCSc1cc(cc(c1)Br)O 62a_100010068917_100000754431 [0,3,0,0,0,0|0,1,0]=4 29463 B13R1.55 C=CCCSc1cc(cc(c1)C)C 62a_100000754431_100011215608 [0,3,0,0,0,0|0,1,0]=4 29464 B13R1.55 C=CCCSc1cc(cc(c1)C)C 62a_100011215608_100000754431 [0,3,0,0,0,0|0,1,0]=4 29465 B13R1.55 C=CCCSc1cc(cc(c1)Cl)C 62a_100000754431_100010172791 [0,3,0,0,0,0|0,1,0]=4 29466 B13R1.55 C=CCCSc1cc(cc(c1)Cl)C 62a_100010172791_100000754431 [0,3,0,0,0,0|0,1,0]=4 29467 B13R1.55 C=CCCSc1cc(cc(c1)Cl)Cl 62a_100000747138_100000754431 [0,3,0,0,0,0|0,1,0]=4 29468 B13R1.55 C=CCCSc1cc(cc(c1)Cl)Cl 62a_100000754431_100000747138 [0,3,0,0,0,0|0,1,0]=4 29469 B13R1.55 C=CCCSc1cc(cc(c1)Cl)F 62a_100000754431_100013859453 [0,3,0,0,0,0|0,1,0]=4 29470 B13R1.55 C=CCCSc1cc(cc(c1)Cl)F 62a_100013859453_100000754431 [0,3,0,0,0,0|0,1,0]=4 29471 B13R1.55 C=CCCSc1cc(cc(c1)Cl)N 62a_100000754431_100010147676 [0,3,0,0,0,0|0,1,0]=4 29472 B13R1.55 C=CCCSc1cc(cc(c1)Cl)N 62a_100010147676_100000754431 [0,3,0,0,0,0|0,1,0]=4 29473 B13R1.55 C=CCCSc1cc(cc(c1)Cl)O 62a_100000754431_100010068924 [0,3,0,0,0,0|0,1,0]=4 29474 B13R1.55 C=CCCSc1cc(cc(c1)Cl)O 62a_100010068924_100000754431 [0,3,0,0,0,0|0,1,0]=4 29475 B13R1.55 C=CCCSc1cc(cc(c1)F)C 62a_100000754431_100011356977 [0,3,0,0,0,0|0,1,0]=4 29476 B13R1.55 C=CCCSc1cc(cc(c1)F)C 62a_100011356977_100000754431 [0,3,0,0,0,0|0,1,0]=4 29477 B13R1.55 C=CCCSc1cc(cc(c1)F)F 62a_100000233788_100000754431 [0,3,0,0,0,0|0,1,0]=4 29478 B13R1.55 C=CCCSc1cc(cc(c1)F)F 62a_100000754431_100000233788 [0,3,0,0,0,0|0,1,0]=4 29479 B13R1.55 C=CCCSc1cc(cc(c1)F)N 62a_100000754431_100011356972 [0,3,0,0,0,0|0,1,0]=4 29480 B13R1.55 C=CCCSc1cc(cc(c1)F)N 62a_100011356972_100000754431 [0,3,0,0,0,0|0,1,0]=4 29481 B13R1.55 C=CCCSc1cc(cc(c1)F)O 62a_100000688818_100000754431 [0,3,0,0,0,0|0,1,0]=4 29482 B13R1.55 C=CCCSc1cc(cc(c1)F)O 62a_100000754431_100000688818 [0,3,0,0,0,0|0,1,0]=4 29483 B13R1.55 C=CCCSc1cc(cc(c1)N)C 62a_100000695972_100000754431 [0,3,0,0,0,0|0,1,0]=4 29484 B13R1.55 C=CCCSc1cc(cc(c1)N)C 62a_100000754431_100000695972 [0,3,0,0,0,0|0,1,0]=4 29485 B13R1.55 C=CCCSc1cc(cc(c1)N)N 62a_100000754431_100011999608 [0,3,0,0,0,0|0,1,0]=4 29486 B13R1.55 C=CCCSc1cc(cc(c1)N)N 62a_100011999608_100000754431 [0,3,0,0,0,0|0,1,0]=4 29487 B13R1.55 C=CCCSc1cc(cc(c1)O)C 62a_100000754431_100011999630 [0,3,0,0,0,0|0,1,0]=4 29488 B13R1.55 C=CCCSc1cc(cc(c1)O)O 62a_100000754431_100009868816 [0,3,0,0,0,0|0,1,0]=4 29489 B13R1.55 C=CCNCc1cc(cc(c1)Br)Br 2230a_100015211796_100000210623 [0,3,0,0,0,0|1,0,0]=4 29490 B13R1.55 C=CCNCc1cc(cc(c1)Br)Br 2230a_100020586998_100011216082 [0,3,0,0,0,0|1,0,0]=4 29491 B13R1.55 C=CCNCc1cc(cc(c1)Br)Br 270004a_100020586998_100000719502 [0,3,0,0,0,0|1,0,0]=4 29492 B13R1.55 C=CCNCc1cc(cc(c1)Br)Br 34a_100015211796_100015514636 [0,3,0,0,0,0|1,0,0]=4 29493 B13R1.55 C=CCNCc1cc(cc(c1)Br)C 2230a_100020586998_100012348363 [0,3,0,0,0,0|1,0,0]=4 29494 B13R1.55 C=CCNCc1cc(cc(c1)Br)C 270004a_100020586998_100000686105 [0,3,0,0,0,0|1,0,0]=4 29495 B13R1.55 C=CCNCc1cc(cc(c1)Br)Cl 270004a_100020586998_100011934515 [0,3,0,0,0,0|1,0,0]=4 29496 B13R1.55 C=CCNCc1cc(cc(c1)Br)F 2230a_100020586998_100000766940 [0,3,0,0,0,0|1,0,0]=4 29497 B13R1.55 C=CCNCc1cc(cc(c1)Br)F 2230a_100020611034_100000210623 [0,3,0,0,0,0|1,0,0]=4 29498 B13R1.55 C=CCNCc1cc(cc(c1)Br)F 270004a_100020586998_100011794424 [0,3,0,0,0,0|1,0,0]=4 29499 B13R1.55 C=CCNCc1cc(cc(c1)Br)F 34a_100020611034_100015514636 [0,3,0,0,0,0|1,0,0]=4 29500 B13R1.55 C=CCNCc1cc(cc(c1)Br)O 270004a_100020586998_100010176088 [0,3,0,0,0,0|1,0,0]=4 29501 B13R1.55 C=CCNCc1cc(cc(c1)C)C 2230a_100020586998_100000181317 [0,3,0,0,0,0|1,0,0]=4 29502 B13R1.55 C=CCNCc1cc(cc(c1)C)C 2230a_100020591340_100000210623 [0,3,0,0,0,0|1,0,0]=4 29503 B13R1.55 C=CCNCc1cc(cc(c1)C)C 270004a_100020586998_100000745632 [0,3,0,0,0,0|1,0,0]=4 29504 B13R1.55 C=CCNCc1cc(cc(c1)C)C 34a_100020591340_100015514636 [0,3,0,0,0,0|1,0,0]=4 29505 B13R1.55 C=CCNCc1cc(cc(c1)Cl)C 270004a_100020586998_100000684525 [0,3,0,0,0,0|1,0,0]=4 29506 B13R1.55 C=CCNCc1cc(cc(c1)Cl)Cl 2230a_100011211636_100000210623 [0,3,0,0,0,0|1,0,0]=4 29507 B13R1.55 C=CCNCc1cc(cc(c1)Cl)Cl 2230a_100020586998_100000685807 [0,3,0,0,0,0|1,0,0]=4 29508 B13R1.55 C=CCNCc1cc(cc(c1)Cl)Cl 270004a_100020586998_100000741761 [0,3,0,0,0,0|1,0,0]=4 29509 B13R1.55 C=CCNCc1cc(cc(c1)Cl)Cl 34a_100011211636_100015514636 [0,3,0,0,0,0|1,0,0]=4 29510 B13R1.55 C=CCNCc1cc(cc(c1)Cl)F 2230a_100020586998_100011219885 [0,3,0,0,0,0|1,0,0]=4 29511 B13R1.55 C=CCNCc1cc(cc(c1)Cl)F 2230a_100137329012_100000210623 [0,3,0,0,0,0|1,0,0]=4 29512 B13R1.55 C=CCNCc1cc(cc(c1)Cl)F 270004a_100020586998_100000703917 [0,3,0,0,0,0|1,0,0]=4 29513 B13R1.55 C=CCNCc1cc(cc(c1)Cl)F 34a_100137329012_100015514636 [0,3,0,0,0,0|1,0,0]=4 29514 B13R1.55 C=CCNCc1cc(cc(c1)Cl)O 2230a_107254831445_100000210623 [0,3,0,0,0,0|1,0,0]=4 29515 B13R1.55 C=CCNCc1cc(cc(c1)Cl)O 270004a_100020586998_100000050827 [0,3,0,0,0,0|1,0,0]=4 29516 B13R1.55 C=CCNCc1cc(cc(c1)Cl)O 34a_107254831445_100015514636 [0,3,0,0,0,0|1,0,0]=4 29517 B13R1.55 C=CCNCc1cc(cc(c1)F)C 2230a_100011830484_100000210623 [0,3,0,0,0,0|1,0,0]=4 29518 B13R1.55 C=CCNCc1cc(cc(c1)F)C 2230a_100020586998_100011219130 [0,3,0,0,0,0|1,0,0]=4 29519 B13R1.55 C=CCNCc1cc(cc(c1)F)C 270004a_100020586998_100011217087 [0,3,0,0,0,0|1,0,0]=4 29520 B13R1.55 C=CCNCc1cc(cc(c1)F)C 34a_100011830484_100015514636 [0,3,0,0,0,0|1,0,0]=4 29521 B13R1.55 C=CCNCc1cc(cc(c1)F)F 2230a_100000737602_100000210623 [0,3,0,0,0,0|1,0,0]=4 29522 B13R1.55 C=CCNCc1cc(cc(c1)F)F 2230a_100020586998_100000697002 [0,3,0,0,0,0|1,0,0]=4 29523 B13R1.55 C=CCNCc1cc(cc(c1)F)F 270004a_100020586998_100000743029 [0,3,0,0,0,0|1,0,0]=4 29524 B13R1.55 C=CCNCc1cc(cc(c1)F)F 34a_100000737602_100015514636 [0,3,0,0,0,0|1,0,0]=4 29525 B13R1.55 C=CCNCc1cc(cc(c1)F)O 2230a_100160469513_100000210623 [0,3,0,0,0,0|1,0,0]=4 29526 B13R1.55 C=CCNCc1cc(cc(c1)F)O 270004a_100020586998_100000703664 [0,3,0,0,0,0|1,0,0]=4 29527 B13R1.55 C=CCNCc1cc(cc(c1)F)O 34a_100160469513_100015514636 [0,3,0,0,0,0|1,0,0]=4 29528 B13R1.55 C=CCNCc1cc(cc(c1)I)Br 2230a_100020586998_100010146614 [0,3,0,0,0,0|1,0,0]=4 29529 B13R1.55 C=CCNCc1cc(cc(c1)I)Br 270004a_100020586998_100010185649 [0,3,0,0,0,0|1,0,0]=4 29530 B13R1.55 C=CCNCc1cc(cc(c1)I)F 2230a_100020586998_100010149605 [0,3,0,0,0,0|1,0,0]=4 29531 B13R1.55 C=CCNCc1cc(cc(c1)I)F 270004a_100020586998_100010185655 [0,3,0,0,0,0|1,0,0]=4 29532 B13R1.55 C=CCNCc1cc(cc(c1)O)C 270004a_100020586998_100009853434 [0,3,0,0,0,0|1,0,0]=4 29533 B13R1.55 C=CCNCc1cc(cc(c1)O)O 2230a_100159270720_100000210623 [0,3,0,0,0,0|1,0,0]=4 29534 B13R1.55 C=CCNCc1cc(cc(c1)O)O 34a_100159270720_100015514636 [0,3,0,0,0,0|1,0,0]=4 29535 B13R1.55 C=CCOCc1cc(cc(c1)Br)Br 34a_100011218366_100015514636 [0,3,0,0,0,0|0,0,0]=3 29536 B13R1.55 C=CCOCc1cc(cc(c1)Br)Br 34a_200000210373_100011216082 [0,3,0,0,0,0|0,0,0]=3 29537 B13R1.55 C=CCOCc1cc(cc(c1)Br)Br 7a_100011218366_100015514636 [0,3,0,0,0,0|0,0,0]=3 29538 B13R1.55 C=CCOCc1cc(cc(c1)Br)C 34a_100000720511_100015514636 [0,3,0,0,0,0|0,0,0]=3 29539 B13R1.55 C=CCOCc1cc(cc(c1)Br)C 34a_200000210373_100012348363 [0,3,0,0,0,0|0,0,0]=3 29540 B13R1.55 C=CCOCc1cc(cc(c1)Br)C 7a_100000720511_100015514636 [0,3,0,0,0,0|0,0,0]=3 29541 B13R1.55 C=CCOCc1cc(cc(c1)Br)Cl 34a_100012353933_100015514636 [0,3,0,0,0,0|0,0,0]=3 29542 B13R1.55 C=CCOCc1cc(cc(c1)Br)Cl 7a_100012353933_100015514636 [0,3,0,0,0,0|0,0,0]=3 29543 B13R1.55 C=CCOCc1cc(cc(c1)Br)F 34a_100000766897_100015514636 [0,3,0,0,0,0|0,0,0]=3 29544 B13R1.55 C=CCOCc1cc(cc(c1)Br)F 34a_200000210373_100000766940 [0,3,0,0,0,0|0,0,0]=3 29545 B13R1.55 C=CCOCc1cc(cc(c1)Br)F 7a_100000766897_100015514636 [0,3,0,0,0,0|0,0,0]=3 29546 B13R1.55 C=CCOCc1cc(cc(c1)C)C 34a_100011216556_100015514636 [0,3,0,0,0,0|0,0,0]=3 29547 B13R1.55 C=CCOCc1cc(cc(c1)C)C 34a_200000210373_100000181317 [0,3,0,0,0,0|0,0,0]=3 29548 B13R1.55 C=CCOCc1cc(cc(c1)C)C 7a_100011216556_100015514636 [0,3,0,0,0,0|0,0,0]=3 29549 B13R1.55 C=CCOCc1cc(cc(c1)Cl)Cl 34a_100011218629_100015514636 [0,3,0,0,0,0|0,0,0]=3 29550 B13R1.55 C=CCOCc1cc(cc(c1)Cl)Cl 7a_100011218629_100015514636 [0,3,0,0,0,0|0,0,0]=3 29551 B13R1.55 C=CCOCc1cc(cc(c1)Cl)F 34a_100011217560_100015514636 [0,3,0,0,0,0|0,0,0]=3 29552 B13R1.55 C=CCOCc1cc(cc(c1)Cl)F 34a_200000210373_100011219885 [0,3,0,0,0,0|0,0,0]=3 29553 B13R1.55 C=CCOCc1cc(cc(c1)Cl)F 7a_100011217560_100015514636 [0,3,0,0,0,0|0,0,0]=3 29554 B13R1.55 C=CCOCc1cc(cc(c1)Cl)N 34a_100012002482_100015514636 [0,3,0,0,0,0|0,0,0]=3 29555 B13R1.55 C=CCOCc1cc(cc(c1)Cl)N 7a_100012002482_100015514636 [0,3,0,0,0,0|0,0,0]=3 29556 B13R1.55 C=CCOCc1cc(cc(c1)F)C 34a_100011217934_100015514636 [0,3,0,0,0,0|0,0,0]=3 29557 B13R1.55 C=CCOCc1cc(cc(c1)F)C 34a_200000210373_100011219130 [0,3,0,0,0,0|0,0,0]=3 29558 B13R1.55 C=CCOCc1cc(cc(c1)F)C 7a_100011217934_100015514636 [0,3,0,0,0,0|0,0,0]=3 29559 B13R1.55 C=CCOCc1cc(cc(c1)F)F 34a_100011215443_100015514636 [0,3,0,0,0,0|0,0,0]=3 29560 B13R1.55 C=CCOCc1cc(cc(c1)F)F 34a_200000210373_100000697002 [0,3,0,0,0,0|0,0,0]=3 29561 B13R1.55 C=CCOCc1cc(cc(c1)F)F 7a_100011215443_100015514636 [0,3,0,0,0,0|0,0,0]=3 29562 B13R1.55 C=CCOCc1cc(cc(c1)I)Br 34a_200000210373_100010146614 [0,3,0,0,0,0|0,0,0]=3 29563 B13R1.55 C=CCOCc1cc(cc(c1)I)Br 7a_100009814756_100015514636 [0,3,0,0,0,0|0,0,0]=3 29564 B13R1.55 C=CCOCc1cc(cc(c1)I)F 34a_100010149598_100015514636 [0,3,0,0,0,0|0,0,0]=3 29565 B13R1.55 C=CCOCc1cc(cc(c1)I)F 34a_200000210373_100010149605 [0,3,0,0,0,0|0,0,0]=3 29566 B13R1.55 C=CCOCc1cc(cc(c1)I)F 7a_100010149598_100015514636 [0,3,0,0,0,0|0,0,0]=3 29567 B13R1.55 C=CCOCc1cc(cc(c1)I)I 7a_100010205817_100015514636 [0,3,0,0,0,0|0,0,0]=3 29568 B13R1.55 C=CCOCc1cc(cc(c1)N)N 34a_100000032468_100015514636 [0,3,0,0,0,0|0,0,0]=3 29569 B13R1.55 C=CCOCc1cc(cc(n1)C)Br 34a_100010178681_100015514636 [0,3,0,0,0,0|1,0,0]=4 29570 B13R1.55 C=CCOCc1cc(cc(n1)C)C 34a_100012182918_100015514636 [0,3,0,0,0,0|1,0,0]=4 29571 B13R1.55 C=CCOCc1cc(cc(n1)C)C 34a_200000210373_100012357514 [0,3,0,0,0,0|1,0,0]=4 29572 B13R1.55 C=CCOCc1cc(nc(c1)Br)Br 7a_100010209938_100015514636 [0,3,0,0,0,0|1,0,0]=4 29573 B13R1.55 C=CCOCc1cc(nc(c1)C)C 34a_100012017140_100015514636 [0,3,0,0,0,0|1,0,0]=4 29574 B13R1.55 C=CCOCc1cc(nc(c1)C)C 34a_200000210373_200000139866 [0,3,0,0,0,0|1,0,0]=4 29575 B13R1.55 C=CCOCc1cc(nc(c1)Cl)Cl 34a_100000041643_100015514636 [0,3,0,0,0,0|1,0,0]=4 29576 B13R1.55 C=CCOCc1cc(nc(c1)Cl)Cl 7a_100000041643_100015514636 [0,3,0,0,0,0|1,0,0]=4 29577 B13R1.55 C=CCSCc1cc(cc(c1)Br)Br 62a_100000210623_100011216082 [0,3,0,0,0,0|0,1,0]=4 29578 B13R1.55 C=CCSCc1cc(cc(c1)Br)Br 62a_100011216082_100000210623 [0,3,0,0,0,0|0,1,0]=4 29579 B13R1.55 C=CCSCc1cc(cc(c1)Br)C 62a_100000210623_100012348363 [0,3,0,0,0,0|0,1,0]=4 29580 B13R1.55 C=CCSCc1cc(cc(c1)Br)C 62a_100012348363_100000210623 [0,3,0,0,0,0|0,1,0]=4 29581 B13R1.55 C=CCSCc1cc(cc(c1)Br)F 62a_100000210623_100000766940 [0,3,0,0,0,0|0,1,0]=4 29582 B13R1.55 C=CCSCc1cc(cc(c1)Br)F 62a_100000766940_100000210623 [0,3,0,0,0,0|0,1,0]=4 29583 B13R1.55 C=CCSCc1cc(cc(c1)C)C 62a_100000181317_100000210623 [0,3,0,0,0,0|0,1,0]=4 29584 B13R1.55 C=CCSCc1cc(cc(c1)C)C 62a_100000210623_100000181317 [0,3,0,0,0,0|0,1,0]=4 29585 B13R1.55 C=CCSCc1cc(cc(c1)Cl)Cl 62a_100000210623_100011219208 [0,3,0,0,0,0|0,1,0]=4 29586 B13R1.55 C=CCSCc1cc(cc(c1)Cl)Cl 62a_100011219208_100000210623 [0,3,0,0,0,0|0,1,0]=4 29587 B13R1.55 C=CCSCc1cc(cc(c1)Cl)F 62a_100000210623_100011219885 [0,3,0,0,0,0|0,1,0]=4 29588 B13R1.55 C=CCSCc1cc(cc(c1)Cl)F 62a_100011219885_100000210623 [0,3,0,0,0,0|0,1,0]=4 29589 B13R1.55 C=CCSCc1cc(cc(c1)F)C 62a_100000210623_100011219130 [0,3,0,0,0,0|0,1,0]=4 29590 B13R1.55 C=CCSCc1cc(cc(c1)F)C 62a_100011219130_100000210623 [0,3,0,0,0,0|0,1,0]=4 29591 B13R1.55 C=CCSCc1cc(cc(c1)F)F 62a_100000210623_100000697002 [0,3,0,0,0,0|0,1,0]=4 29592 B13R1.55 C=CCSCc1cc(cc(c1)F)F 62a_100000697002_100000210623 [0,3,0,0,0,0|0,1,0]=4 29593 B13R1.55 C=CCSCc1cc(cc(c1)I)Br 62a_100000210623_100010146614 [0,3,0,0,0,0|0,1,0]=4 29594 B13R1.55 C=CCSCc1cc(cc(c1)I)Br 62a_100010146614_100000210623 [0,3,0,0,0,0|0,1,0]=4 29595 B13R1.55 C=CCSCc1cc(cc(c1)I)F 62a_100000210623_100010149605 [0,3,0,0,0,0|0,1,0]=4 29596 B13R1.55 C=CCSCc1cc(cc(c1)I)F 62a_100010149605_100000210623 [0,3,0,0,0,0|0,1,0]=4 29597 B13R1.55 CC=CCNc1cc(cc(c1)Br)Br 34a_100012047176_100000070051 [0,3,0,0,0,0|1,0,0]=4 29598 B13R1.55 CC=CCNc1cc(cc(c1)Br)Br 7a_100012047176_100000070051 [0,3,0,0,0,0|1,0,0]=4 29599 B13R1.55 CC=CCNc1cc(cc(c1)Br)C 34a_100000695972_100000070051 [0,3,0,0,0,0|1,0,0]=4 29600 B13R1.55 CC=CCNc1cc(cc(c1)Br)C 7a_100000695972_100000070051 [0,3,0,0,0,0|1,0,0]=4 29601 B13R1.55 CC=CCNc1cc(cc(c1)Br)Cl 34a_100011934539_100000070051 [0,3,0,0,0,0|1,0,0]=4 29602 B13R1.55 CC=CCNc1cc(cc(c1)Br)Cl 7a_100011934539_100000070051 [0,3,0,0,0,0|1,0,0]=4 29603 B13R1.55 CC=CCNc1cc(cc(c1)Br)F 34a_100000705686_100000070051 [0,3,0,0,0,0|1,0,0]=4 29604 B13R1.55 CC=CCNc1cc(cc(c1)Br)F 7a_100000705686_100000070051 [0,3,0,0,0,0|1,0,0]=4 29605 B13R1.55 CC=CCNc1cc(cc(c1)C)C 2230a_100000210930_100000070051 [0,3,0,0,0,0|1,0,0]=4 29606 B13R1.55 CC=CCNc1cc(cc(c1)C)C 34a_100000210930_100000070051 [0,3,0,0,0,0|1,0,0]=4 29607 B13R1.55 CC=CCNc1cc(cc(c1)C)C 7a_100000210930_100000070051 [0,3,0,0,0,0|1,0,0]=4 29608 B13R1.55 CC=CCNc1cc(cc(c1)Cl)C 2230a_100012022512_100000070051 [0,3,0,0,0,0|1,0,0]=4 29609 B13R1.55 CC=CCNc1cc(cc(c1)Cl)C 34a_100012022512_100000070051 [0,3,0,0,0,0|1,0,0]=4 29610 B13R1.55 CC=CCNc1cc(cc(c1)Cl)C 7a_100012022512_100000070051 [0,3,0,0,0,0|1,0,0]=4 29611 B13R1.55 CC=CCNc1cc(cc(c1)Cl)Cl 34a_100000210456_100000070051 [0,3,0,0,0,0|1,0,0]=4 29612 B13R1.55 CC=CCNc1cc(cc(c1)Cl)Cl 7a_100000210456_100000070051 [0,3,0,0,0,0|1,0,0]=4 29613 B13R1.55 CC=CCNc1cc(cc(c1)Cl)F 34a_100000686136_100000070051 [0,3,0,0,0,0|1,0,0]=4 29614 B13R1.55 CC=CCNc1cc(cc(c1)Cl)F 7a_100000686136_100000070051 [0,3,0,0,0,0|1,0,0]=4 29615 B13R1.55 CC=CCNc1cc(cc(c1)Cl)O 34a_100000123917_100000070051 [0,3,0,0,0,0|1,0,0]=4 29616 B13R1.55 CC=CCNc1cc(cc(c1)Cl)O 7a_100000123917_100000070051 [0,3,0,0,0,0|1,0,0]=4 29617 B13R1.55 CC=CCNc1cc(cc(c1)F)C 2230a_100000742734_100000070051 [0,3,0,0,0,0|1,0,0]=4 29618 B13R1.55 CC=CCNc1cc(cc(c1)F)C 34a_100000742734_100000070051 [0,3,0,0,0,0|1,0,0]=4 29619 B13R1.55 CC=CCNc1cc(cc(c1)F)C 7a_100000742734_100000070051 [0,3,0,0,0,0|1,0,0]=4 29620 B13R1.55 CC=CCNc1cc(cc(c1)F)F 34a_100000233717_100000070051 [0,3,0,0,0,0|1,0,0]=4 29621 B13R1.55 CC=CCNc1cc(cc(c1)F)F 7a_100000233717_100000070051 [0,3,0,0,0,0|1,0,0]=4 29622 B13R1.55 CC=CCNc1cc(cc(c1)I)Br 7a_100009814763_100000070051 [0,3,0,0,0,0|1,0,0]=4 29623 B13R1.55 CC=CCNc1cc(cc(c1)I)Cl 7a_100010147676_100000070051 [0,3,0,0,0,0|1,0,0]=4 29624 B13R1.55 CC=CCNc1cc(cc(c1)I)F 34a_100011356972_100000070051 [0,3,0,0,0,0|1,0,0]=4 29625 B13R1.55 CC=CCNc1cc(cc(c1)I)F 7a_100011356972_100000070051 [0,3,0,0,0,0|1,0,0]=4 29626 B13R1.55 CC=CCNc1cc(cc(c1)I)I 7a_200000696836_100000070051 [0,3,0,0,0,0|1,0,0]=4 29627 B13R1.55 CC=CCNc1cc(cc(c1)O)C 34a_100011995906_100000070051 [0,3,0,0,0,0|1,0,0]=4 29628 B13R1.55 CC=CCNc1cc(cc(c1)O)C 7a_100011995906_100000070051 [0,3,0,0,0,0|1,0,0]=4 29629 B13R1.55 CC=CCNc1cc(cc(c1)O)O 34a_100000043371_100000070051 [0,3,0,0,0,0|1,0,0]=4 29630 B13R1.55 CC=CCOc1cc(=O)cc(o1)C 34a_100016989201_100000070051 [0,3,0,0,0,0|1,0,0]=4 29631 B13R1.55 CC=CCOc1cc([nH]c(=O)c1)C 34a_100000039070_100000070051 [0,3,0,0,0,0|1,0,0]=4 29632 B13R1.55 CC=CCOc1cc(cc(c1)Br)Br 34a_100010167048_100000070051 [0,3,0,0,0,0|0,0,0]=3 29633 B13R1.55 CC=CCOc1cc(cc(c1)Br)Br 7a_100010167048_100000070051 [0,3,0,0,0,0|0,0,0]=3 29634 B13R1.55 CC=CCOc1cc(cc(c1)Br)C 34a_100011999630_100000070051 [0,3,0,0,0,0|0,0,0]=3 29635 B13R1.55 CC=CCOc1cc(cc(c1)Br)C 7a_100011999630_100000070051 [0,3,0,0,0,0|0,0,0]=3 29636 B13R1.55 CC=CCOc1cc(cc(c1)Br)Cl 34a_100010185897_100000070051 [0,3,0,0,0,0|0,0,0]=3 29637 B13R1.55 CC=CCOc1cc(cc(c1)Br)Cl 7a_100010185897_100000070051 [0,3,0,0,0,0|0,0,0]=3 29638 B13R1.55 CC=CCOc1cc(cc(c1)Br)F 34a_100000688818_100000070051 [0,3,0,0,0,0|0,0,0]=3 29639 B13R1.55 CC=CCOc1cc(cc(c1)Br)F 7a_100000688818_100000070051 [0,3,0,0,0,0|0,0,0]=3 29640 B13R1.55 CC=CCOc1cc(cc(c1)C)C 34a_100000210933_100000070051 [0,3,0,0,0,0|0,0,0]=3 29641 B13R1.55 CC=CCOc1cc(cc(c1)C)C 7a_100000210933_100000070051 [0,3,0,0,0,0|0,0,0]=3 29642 B13R1.55 CC=CCOc1cc(cc(c1)Cl)C 34a_100000087485_100000070051 [0,3,0,0,0,0|0,0,0]=3 29643 B13R1.55 CC=CCOc1cc(cc(c1)Cl)C 7a_100000087485_100000070051 [0,3,0,0,0,0|0,0,0]=3 29644 B13R1.55 CC=CCOc1cc(cc(c1)Cl)Cl 34a_100000181315_100000070051 [0,3,0,0,0,0|0,0,0]=3 29645 B13R1.55 CC=CCOc1cc(cc(c1)Cl)Cl 7a_100000181315_100000070051 [0,3,0,0,0,0|0,0,0]=3 29646 B13R1.55 CC=CCOc1cc(cc(c1)Cl)F 34a_100011219751_100000070051 [0,3,0,0,0,0|0,0,0]=3 29647 B13R1.55 CC=CCOc1cc(cc(c1)Cl)F 7a_100011219751_100000070051 [0,3,0,0,0,0|0,0,0]=3 29648 B13R1.55 CC=CCOc1cc(cc(c1)Cl)N 34a_100000123917_100000070051 [0,3,0,0,0,0|0,0,0]=3 29649 B13R1.55 CC=CCOc1cc(cc(c1)Cl)N 7a_100000123917_100000070051 [0,3,0,0,0,0|0,0,0]=3 29650 B13R1.55 CC=CCOc1cc(cc(c1)F)C 34a_100011830401_100000070051 [0,3,0,0,0,0|0,0,0]=3 29651 B13R1.55 CC=CCOc1cc(cc(c1)F)C 7a_100011830401_100000070051 [0,3,0,0,0,0|0,0,0]=3 29652 B13R1.55 CC=CCOc1cc(cc(c1)F)F 34a_100000747503_100000070051 [0,3,0,0,0,0|0,0,0]=3 29653 B13R1.55 CC=CCOc1cc(cc(c1)F)F 7a_100000747503_100000070051 [0,3,0,0,0,0|0,0,0]=3 29654 B13R1.55 CC=CCOc1cc(cc(c1)I)Br 34a_100010068917_100000070051 [0,3,0,0,0,0|0,0,0]=3 29655 B13R1.55 CC=CCOc1cc(cc(c1)I)Br 7a_100010068917_100000070051 [0,3,0,0,0,0|0,0,0]=3 29656 B13R1.55 CC=CCOc1cc(cc(c1)I)Cl 34a_100010068924_100000070051 [0,3,0,0,0,0|0,0,0]=3 29657 B13R1.55 CC=CCOc1cc(cc(c1)I)Cl 7a_100010068924_100000070051 [0,3,0,0,0,0|0,0,0]=3 29658 B13R1.55 CC=CCOc1cc(cc(c1)I)F 34a_100000717995_100000070051 [0,3,0,0,0,0|0,0,0]=3 29659 B13R1.55 CC=CCOc1cc(cc(c1)I)F 7a_100000717995_100000070051 [0,3,0,0,0,0|0,0,0]=3 29660 B13R1.55 CC=CCOc1cc(cc(c1)N)C 34a_100011995906_100000070051 [0,3,0,0,0,0|0,0,0]=3 29661 B13R1.55 CC=CCOc1cc(cc(c1)N)C 7a_100011995906_100000070051 [0,3,0,0,0,0|0,0,0]=3 29662 B13R1.55 CC=CCOc1cc(nc(c1)Br)Br 34a_100010172823_100000070051 [0,3,0,0,0,0|1,0,0]=4 29663 B13R1.55 CC=CCOc1cc(nc(c1)Br)Br 7a_100010172823_100000070051 [0,3,0,0,0,0|1,0,0]=4 29664 B13R1.55 CC=CCOc1cc(oc(=O)c1)C 34a_100000210952_100000070051 [0,3,0,0,0,0|1,0,0]=4 29665 B13R1.55 CC=CCOc1cc(oc(=O)c1)C 7a_100000210952_100000070051 [0,3,0,0,0,0|1,0,0]=4 29666 B13R1.55 CC=CCSc1cc(cc(c1)Br)Br 62a_100000070051_100009814770 [0,3,0,0,0,0|0,1,0]=4 29667 B13R1.55 CC=CCSc1cc(cc(c1)Br)Br 62a_100009814770_100000070051 [0,3,0,0,0,0|0,1,0]=4 29668 B13R1.55 CC=CCSc1cc(cc(c1)Br)Cl 62a_100000070051_100009814755 [0,3,0,0,0,0|0,1,0]=4 29669 B13R1.55 CC=CCSc1cc(cc(c1)Br)Cl 62a_100009814755_100000070051 [0,3,0,0,0,0|0,1,0]=4 29670 B13R1.55 CC=CCSc1cc(cc(c1)Br)F 62a_100000070051_100009814764 [0,3,0,0,0,0|0,1,0]=4 29671 B13R1.55 CC=CCSc1cc(cc(c1)Br)F 62a_100009814764_100000070051 [0,3,0,0,0,0|0,1,0]=4 29672 B13R1.55 CC=CCSc1cc(cc(c1)Br)N 62a_100000070051_100009814763 [0,3,0,0,0,0|0,1,0]=4 29673 B13R1.55 CC=CCSc1cc(cc(c1)Br)N 62a_100009814763_100000070051 [0,3,0,0,0,0|0,1,0]=4 29674 B13R1.55 CC=CCSc1cc(cc(c1)Br)O 62a_100000070051_100010068917 [0,3,0,0,0,0|0,1,0]=4 29675 B13R1.55 CC=CCSc1cc(cc(c1)Br)O 62a_100010068917_100000070051 [0,3,0,0,0,0|0,1,0]=4 29676 B13R1.55 CC=CCSc1cc(cc(c1)C)C 62a_100000070051_100011215608 [0,3,0,0,0,0|0,1,0]=4 29677 B13R1.55 CC=CCSc1cc(cc(c1)C)C 62a_100011215608_100000070051 [0,3,0,0,0,0|0,1,0]=4 29678 B13R1.55 CC=CCSc1cc(cc(c1)Cl)C 62a_100000070051_100010172791 [0,3,0,0,0,0|0,1,0]=4 29679 B13R1.55 CC=CCSc1cc(cc(c1)Cl)C 62a_100010172791_100000070051 [0,3,0,0,0,0|0,1,0]=4 29680 B13R1.55 CC=CCSc1cc(cc(c1)Cl)Cl 62a_100000070051_100000747138 [0,3,0,0,0,0|0,1,0]=4 29681 B13R1.55 CC=CCSc1cc(cc(c1)Cl)Cl 62a_100000747138_100000070051 [0,3,0,0,0,0|0,1,0]=4 29682 B13R1.55 CC=CCSc1cc(cc(c1)Cl)F 62a_100000070051_100013859453 [0,3,0,0,0,0|0,1,0]=4 29683 B13R1.55 CC=CCSc1cc(cc(c1)Cl)F 62a_100013859453_100000070051 [0,3,0,0,0,0|0,1,0]=4 29684 B13R1.55 CC=CCSc1cc(cc(c1)Cl)N 62a_100000070051_100010147676 [0,3,0,0,0,0|0,1,0]=4 29685 B13R1.55 CC=CCSc1cc(cc(c1)Cl)N 62a_100010147676_100000070051 [0,3,0,0,0,0|0,1,0]=4 29686 B13R1.55 CC=CCSc1cc(cc(c1)Cl)O 62a_100000070051_100010068924 [0,3,0,0,0,0|0,1,0]=4 29687 B13R1.55 CC=CCSc1cc(cc(c1)Cl)O 62a_100010068924_100000070051 [0,3,0,0,0,0|0,1,0]=4 29688 B13R1.55 CC=CCSc1cc(cc(c1)F)C 62a_100000070051_100011356977 [0,3,0,0,0,0|0,1,0]=4 29689 B13R1.55 CC=CCSc1cc(cc(c1)F)C 62a_100011356977_100000070051 [0,3,0,0,0,0|0,1,0]=4 29690 B13R1.55 CC=CCSc1cc(cc(c1)F)F 62a_100000070051_100000233788 [0,3,0,0,0,0|0,1,0]=4 29691 B13R1.55 CC=CCSc1cc(cc(c1)F)F 62a_100000233788_100000070051 [0,3,0,0,0,0|0,1,0]=4 29692 B13R1.55 CC=CCSc1cc(cc(c1)F)N 62a_100000070051_100011356972 [0,3,0,0,0,0|0,1,0]=4 29693 B13R1.55 CC=CCSc1cc(cc(c1)F)N 62a_100011356972_100000070051 [0,3,0,0,0,0|0,1,0]=4 29694 B13R1.55 CC=CCSc1cc(cc(c1)F)O 62a_100000070051_100000688818 [0,3,0,0,0,0|0,1,0]=4 29695 B13R1.55 CC=CCSc1cc(cc(c1)F)O 62a_100000688818_100000070051 [0,3,0,0,0,0|0,1,0]=4 29696 B13R1.55 CC=CCSc1cc(cc(c1)N)C 62a_100000070051_100000695972 [0,3,0,0,0,0|0,1,0]=4 29697 B13R1.55 CC=CCSc1cc(cc(c1)N)C 62a_100000695972_100000070051 [0,3,0,0,0,0|0,1,0]=4 29698 B13R1.55 CC=CCSc1cc(cc(c1)N)N 62a_100000070051_100011999608 [0,3,0,0,0,0|0,1,0]=4 29699 B13R1.55 CC=CCSc1cc(cc(c1)N)N 62a_100011999608_100000070051 [0,3,0,0,0,0|0,1,0]=4 29700 B13R1.55 CC=CCSc1cc(cc(c1)O)C 62a_100000070051_100011999630 [0,3,0,0,0,0|0,1,0]=4 29701 B13R1.55 CC=CCSc1cc(cc(c1)O)O 62a_100000070051_100009868816 [0,3,0,0,0,0|0,1,0]=4 29702 B13R1.55 Cc1cc(cc(c1)COCC=O)Br 34a_100000720511_200009817547 [0,3,0,0,0,0|1,0,0]=4 29703 B13R1.55 Cc1cc(cc(c1)COCC=O)Br 7a_100000720511_200015260668 [0,3,0,0,0,0|1,0,0]=4 29704 B13R1.55 Cc1cc(cc(c1)COCC=O)C 34a_100011216556_200009817547 [0,3,0,0,0,0|1,0,0]=4 29705 B13R1.55 Cc1cc(cc(c1)COCC=O)C 7a_100011216556_200015260668 [0,3,0,0,0,0|1,0,0]=4 29706 B13R1.55 Cc1cc(cc(c1)COCC=O)F 34a_100011217934_200009817547 [0,3,0,0,0,0|1,0,0]=4 29707 B13R1.55 Cc1cc(cc(c1)COCC=O)F 7a_100011217934_200015260668 [0,3,0,0,0,0|1,0,0]=4 29708 B13R1.55 Nc1cc(cc(c1)COCC=O)Cl 34a_100012002482_200009817547 [0,3,0,0,0,0|1,0,0]=4 29709 B13R1.55 Nc1cc(cc(c1)COCC=O)Cl 7a_100012002482_200015260668 [0,3,0,0,0,0|1,0,0]=4 29710 B13R1.55 Nc1cc(cc(c1)COCC=O)N 34a_100000032468_200009817547 [0,3,0,0,0,0|1,0,0]=4 29711 B13R1.55 O=CCOCc1cc(cc(c1)Br)Br 34a_100011218366_200009817547 [0,3,0,0,0,0|1,0,0]=4 29712 B13R1.55 O=CCOCc1cc(cc(c1)Br)Br 7a_100011218366_200015260668 [0,3,0,0,0,0|1,0,0]=4 29713 B13R1.55 O=CCOCc1cc(cc(c1)Br)Cl 34a_100012353933_200009817547 [0,3,0,0,0,0|1,0,0]=4 29714 B13R1.55 O=CCOCc1cc(cc(c1)Br)Cl 7a_100012353933_200015260668 [0,3,0,0,0,0|1,0,0]=4 29715 B13R1.55 O=CCOCc1cc(cc(c1)Br)F 34a_100000766897_200009817547 [0,3,0,0,0,0|1,0,0]=4 29716 B13R1.55 O=CCOCc1cc(cc(c1)Br)F 7a_100000766897_200015260668 [0,3,0,0,0,0|1,0,0]=4 29717 B13R1.55 O=CCOCc1cc(cc(c1)Cl)Cl 34a_100011218629_200009817547 [0,3,0,0,0,0|1,0,0]=4 29718 B13R1.55 O=CCOCc1cc(cc(c1)Cl)Cl 7a_100011218629_200015260668 [0,3,0,0,0,0|1,0,0]=4 29719 B13R1.55 O=CCOCc1cc(cc(c1)Cl)F 34a_100011217560_200009817547 [0,3,0,0,0,0|1,0,0]=4 29720 B13R1.55 O=CCOCc1cc(cc(c1)Cl)F 7a_100011217560_200015260668 [0,3,0,0,0,0|1,0,0]=4 29721 B13R1.55 O=CCOCc1cc(cc(c1)F)F 34a_100011215443_200009817547 [0,3,0,0,0,0|1,0,0]=4 29722 B13R1.55 O=CCOCc1cc(cc(c1)F)F 7a_100011215443_200015260668 [0,3,0,0,0,0|1,0,0]=4 29723 B13R1.55 O=CCOCc1cc(cc(c1)I)Br 7a_100009814756_200015260668 [0,3,0,0,0,0|1,0,0]=4 29724 B13R1.55 O=CCOCc1cc(cc(c1)I)F 34a_100010149598_200009817547 [0,3,0,0,0,0|1,0,0]=4 29725 B13R1.55 O=CCOCc1cc(cc(c1)I)F 7a_100010149598_200015260668 [0,3,0,0,0,0|1,0,0]=4 29726 B13R1.55 O=CCOCc1cc(cc(c1)I)I 7a_100010205817_200015260668 [0,3,0,0,0,0|1,0,0]=4 29727 B13R1.149 C=C(C)CCNc1cccc(c1)Br 34a_100000210019_100000730704 [0,3,0,0,0,0|1,0,0]=4 29728 B13R1.149 C=C(C)CCNc1cccc(c1)C 2230a_100000188690_100000730704 [0,3,0,0,0,0|1,0,0]=4 29729 B13R1.149 C=C(C)CCNc1cccc(c1)C 34a_100000188690_100000730704 [0,3,0,0,0,0|1,0,0]=4 29730 B13R1.149 C=C(C)CCNc1cccc(c1)Cl 34a_100000185859_100000730704 [0,3,0,0,0,0|1,0,0]=4 29731 B13R1.149 C=C(C)CCNc1cccc(c1)F 34a_100000210047_100000730704 [0,3,0,0,0,0|1,0,0]=4 29732 B13R1.149 C=C(C)CCNc1cccc(c1)I 34a_100000211102_100000730704 [0,3,0,0,0,0|1,0,0]=4 29733 B13R1.149 C=C(C)CCNc1cccc(c1)O 34a_100000210217_100000730704 [0,3,0,0,0,0|1,0,0]=4 29734 B13R1.149 C=C(C)CCOc1cc[nH]c(=O)c1 34a_100000032262_100000730704 [0,3,0,0,0,0|1,0,0]=4 29735 B13R1.149 C=C(C)CCOc1ccc[n+](c1)[O-] 34a_100000039713_100000730704 [0,3,0,0,0,0|1,0,0]=4 29736 B13R1.149 C=C(C)CCOc1ccc[n+](c1)[O-] 7a_100000039713_100000730704 [0,3,0,0,0,0|1,0,0]=4 29737 B13R1.149 C=C(C)CCOc1cccc(=O)[nH]1 34a_100000033347_100000730704 [0,3,0,0,0,0|1,0,0]=4 29738 B13R1.149 C=C(C)CCOc1cccc(c1)Br 34a_100000210342_100000730704 [0,3,0,0,0,0|0,0,0]=3 29739 B13R1.149 C=C(C)CCOc1cccc(c1)Br 7a_100000210342_100000730704 [0,3,0,0,0,0|0,0,0]=3 29740 B13R1.149 C=C(C)CCOc1cccc(c1)C 34a_100000210337_100000730704 [0,3,0,0,0,0|0,0,0]=3 29741 B13R1.149 C=C(C)CCOc1cccc(c1)C 7a_100000210337_100000730704 [0,3,0,0,0,0|0,0,0]=3 29742 B13R1.149 C=C(C)CCOc1cccc(c1)Cl 34a_100000210295_100000730704 [0,3,0,0,0,0|0,0,0]=3 29743 B13R1.149 C=C(C)CCOc1cccc(c1)Cl 7a_100000210295_100000730704 [0,3,0,0,0,0|0,0,0]=3 29744 B13R1.149 C=C(C)CCOc1cccc(c1)F 34a_100000210426_100000730704 [0,3,0,0,0,0|0,0,0]=3 29745 B13R1.149 C=C(C)CCOc1cccc(c1)F 7a_100000210426_100000730704 [0,3,0,0,0,0|0,0,0]=3 29746 B13R1.149 C=C(C)CCOc1cccc(c1)I 34a_100000211634_100000730704 [0,3,0,0,0,0|0,0,0]=3 29747 B13R1.149 C=C(C)CCOc1cccc(c1)I 7a_100000211634_100000730704 [0,3,0,0,0,0|0,0,0]=3 29748 B13R1.149 C=C(C)CCOc1cccc(c1)N 34a_100000210217_100000730704 [0,3,0,0,0,0|0,0,0]=3 29749 B13R1.149 C=C(C)CCOc1cccc(n1)F 34a_100011432558_100000730704 [0,3,0,0,0,0|1,0,0]=4 29750 B13R1.149 C=C(C)CCOc1ccnc(c1)C 34a_100000688365_100000730704 [0,3,0,0,0,0|1,0,0]=4 29751 B13R1.149 C=C(C)CCOc1ccnc(c1)Cl 34a_100000762945_100000730704 [0,3,0,0,0,0|1,0,0]=4 29752 B13R1.149 C=C(C)CCOc1ccnc(c1)F 34a_100000732698_100000730704 [0,3,0,0,0,0|1,0,0]=4 29753 B13R1.149 C=C(C)CCOc1ccnc(c1)N 34a_100011834064_100000730704 [0,3,0,0,0,0|1,0,0]=4 29754 B13R1.149 C=C(C)CCOc1cncc(c1)Br 34a_100000754920_100000730704 [0,3,0,0,0,0|1,0,0]=4 29755 B13R1.149 C=C(C)CCOc1cncc(c1)Br 7a_100000754920_100000730704 [0,3,0,0,0,0|1,0,0]=4 29756 B13R1.149 C=C(C)CCOc1cncc(c1)C 34a_100011830280_100000730704 [0,3,0,0,0,0|1,0,0]=4 29757 B13R1.149 C=C(C)CCOc1cncc(c1)C 7a_100011830280_100000730704 [0,3,0,0,0,0|1,0,0]=4 29758 B13R1.149 C=C(C)CCOc1cncc(c1)Cl 7a_100000032511_100000730704 [0,3,0,0,0,0|1,0,0]=4 29759 B13R1.149 C=C(C)CCOc1cncc(c1)F 34a_100011830296_100000730704 [0,3,0,0,0,0|1,0,0]=4 29760 B13R1.149 C=C(C)CCOc1cncc(c1)F 7a_100011830296_100000730704 [0,3,0,0,0,0|1,0,0]=4 29761 B13R1.149 C=C(C)CCOc1cncc(c1)N 34a_100011997051_100000730704 [0,3,0,0,0,0|1,0,0]=4 29762 B13R1.149 C=C(C)CCSc1cccc(c1)Br 62a_100000691529_100000730704 [0,3,0,0,0,0|0,1,0]=4 29763 B13R1.149 C=C(C)CCSc1cccc(c1)Br 62a_100000730704_100000691529 [0,3,0,0,0,0|0,1,0]=4 29764 B13R1.149 C=C(C)CCSc1cccc(c1)C 62a_100000730704_100011215228 [0,3,0,0,0,0|0,1,0]=4 29765 B13R1.149 C=C(C)CCSc1cccc(c1)C 62a_100011215228_100000730704 [0,3,0,0,0,0|0,1,0]=4 29766 B13R1.149 C=C(C)CCSc1cccc(c1)Cl 62a_100000699651_100000730704 [0,3,0,0,0,0|0,1,0]=4 29767 B13R1.149 C=C(C)CCSc1cccc(c1)Cl 62a_100000730704_100000699651 [0,3,0,0,0,0|0,1,0]=4 29768 B13R1.149 C=C(C)CCSc1cccc(c1)F 62a_100000685547_100000730704 [0,3,0,0,0,0|0,1,0]=4 29769 B13R1.149 C=C(C)CCSc1cccc(c1)F 62a_100000730704_100000685547 [0,3,0,0,0,0|0,1,0]=4 29770 B13R1.149 C=C(C)CCSc1cccc(c1)N 62a_100000210019_100000730704 [0,3,0,0,0,0|0,1,0]=4 29771 B13R1.149 C=C(C)CCSc1cccc(c1)N 62a_100000730704_100000210019 [0,3,0,0,0,0|0,1,0]=4 29772 B13R1.149 C=C(C)CCSc1cccc(c1)O 62a_100000730704_100000211634 [0,3,0,0,0,0|0,1,0]=4 29773 B13R1.149 C=C(C)CCSc1cccc(c1)[S] 62a_100000730704_114929384022 [0,3,0,0,0,0|0,1,0]=4 29774 B13R1.149 C=C(C)CCSc1cccc(c1)[S] 62a_114929384022_100000730704 [0,3,0,0,0,0|0,1,0]=4 29775 B13R1.149 C=C(C)CNCc1cccc(c1)Br 2230a_100000174977_100000748629 [0,3,0,0,0,0|1,0,0]=4 29776 B13R1.149 C=C(C)CNCc1cccc(c1)Br 34a_100000174977_100000748629 [0,3,0,0,0,0|1,0,0]=4 29777 B13R1.149 C=C(C)CNCc1cccc(c1)C 2230a_100000185548_100000748629 [0,3,0,0,0,0|1,0,0]=4 29778 B13R1.149 C=C(C)CNCc1cccc(c1)C 34a_100000185548_100000748629 [0,3,0,0,0,0|1,0,0]=4 29779 B13R1.149 C=C(C)CNCc1cccc(c1)Cl 2230a_100000174878_100000748629 [0,3,0,0,0,0|1,0,0]=4 29780 B13R1.149 C=C(C)CNCc1cccc(c1)Cl 34a_100000174878_100000748629 [0,3,0,0,0,0|1,0,0]=4 29781 B13R1.149 C=C(C)CNCc1cccc(c1)F 2230a_100000174948_100000748629 [0,3,0,0,0,0|1,0,0]=4 29782 B13R1.149 C=C(C)CNCc1cccc(c1)F 34a_100000174948_100000748629 [0,3,0,0,0,0|1,0,0]=4 29783 B13R1.149 C=C(C)CNCc1cccc(c1)I 2230a_100000106179_100000748629 [0,3,0,0,0,0|1,0,0]=4 29784 B13R1.149 C=C(C)CNCc1cccc(c1)I 34a_100000106179_100000748629 [0,3,0,0,0,0|1,0,0]=4 29785 B13R1.149 C=C(C)CNCc1cccc(c1)O 2230a_100000743036_100000748629 [0,3,0,0,0,0|1,0,0]=4 29786 B13R1.149 C=C(C)CNCc1cccc(c1)O 34a_100000743036_100000748629 [0,3,0,0,0,0|1,0,0]=4 29787 B13R1.149 C=C(C)COCc1cc(ccn1)Br 34a_100000210245_100010173614 [0,3,0,0,0,0|1,0,0]=4 29788 B13R1.149 C=C(C)COCc1cc(ccn1)C 34a_100000210245_100000718516 [0,3,0,0,0,0|1,0,0]=4 29789 B13R1.149 C=C(C)COCc1cc(ccn1)C 34a_100011998357_100000748629 [0,3,0,0,0,0|1,0,0]=4 29790 B13R1.149 C=C(C)COCc1cc(ccn1)Cl 34a_100000210245_100016988179 [0,3,0,0,0,0|1,0,0]=4 29791 B13R1.149 C=C(C)COCc1cc(ccn1)Cl 34a_100000748867_100000748629 [0,3,0,0,0,0|1,0,0]=4 29792 B13R1.149 C=C(C)COCc1cc(ccn1)N 34a_100000692640_100000748629 [0,3,0,0,0,0|1,0,0]=4 29793 B13R1.149 C=C(C)COCc1ccc[n+](c1)[O-] 34a_100000037817_100000748629 [0,3,0,0,0,0|1,0,0]=4 29794 B13R1.149 C=C(C)COCc1ccc[n+](c1)[O-] 7a_100000037817_100000748629 [0,3,0,0,0,0|1,0,0]=4 29795 B13R1.149 C=C(C)COCc1cccc(c1)Br 34a_100000210245_100000698116 [0,3,0,0,0,0|0,0,0]=3 29796 B13R1.149 C=C(C)COCc1cccc(c1)Br 34a_100000687537_100000748629 [0,3,0,0,0,0|0,0,0]=3 29797 B13R1.149 C=C(C)COCc1cccc(c1)Br 7a_100000687537_100000748629 [0,3,0,0,0,0|0,0,0]=3 29798 B13R1.149 C=C(C)COCc1cccc(c1)C 34a_100000210245_100000211840 [0,3,0,0,0,0|0,0,0]=3 29799 B13R1.149 C=C(C)COCc1cccc(c1)C 34a_100011217746_100000748629 [0,3,0,0,0,0|0,0,0]=3 29800 B13R1.149 C=C(C)COCc1cccc(c1)C 7a_100011217746_100000748629 [0,3,0,0,0,0|0,0,0]=3 29801 B13R1.149 C=C(C)COCc1cccc(c1)Cl 34a_100000210245_100000187163 [0,3,0,0,0,0|0,0,0]=3 29802 B13R1.149 C=C(C)COCc1cccc(c1)Cl 34a_100000241301_100000748629 [0,3,0,0,0,0|0,0,0]=3 29803 B13R1.149 C=C(C)COCc1cccc(c1)Cl 7a_100000241301_100000748629 [0,3,0,0,0,0|0,0,0]=3 29804 B13R1.149 C=C(C)COCc1cccc(c1)F 34a_100000210245_100000187166 [0,3,0,0,0,0|0,0,0]=3 29805 B13R1.149 C=C(C)COCc1cccc(c1)F 34a_100000210976_100000748629 [0,3,0,0,0,0|0,0,0]=3 29806 B13R1.149 C=C(C)COCc1cccc(c1)F 7a_100000210976_100000748629 [0,3,0,0,0,0|0,0,0]=3 29807 B13R1.149 C=C(C)COCc1cccc(c1)I 34a_100000210245_100011218688 [0,3,0,0,0,0|0,0,0]=3 29808 B13R1.149 C=C(C)COCc1cccc(c1)I 34a_100011215336_100000748629 [0,3,0,0,0,0|0,0,0]=3 29809 B13R1.149 C=C(C)COCc1cccc(c1)I 7a_100011215336_100000748629 [0,3,0,0,0,0|0,0,0]=3 29810 B13R1.149 C=C(C)COCc1cccc(c1)N 34a_100000211919_100000748629 [0,3,0,0,0,0|0,0,0]=3 29811 B13R1.149 C=C(C)COCc1cccc(c1)O 34a_100000210245_100011660834 [0,3,0,0,0,0|0,0,0]=3 29812 B13R1.149 C=C(C)COCc1cccc(n1)Br 34a_100000210245_100009889011 [0,3,0,0,0,0|1,0,0]=4 29813 B13R1.149 C=C(C)COCc1cccc(n1)Br 34a_100000694195_100000748629 [0,3,0,0,0,0|1,0,0]=4 29814 B13R1.149 C=C(C)COCc1cccc(n1)C 34a_100000210245_100000757606 [0,3,0,0,0,0|1,0,0]=4 29815 B13R1.149 C=C(C)COCc1cccc(n1)C 34a_100000690600_100000748629 [0,3,0,0,0,0|1,0,0]=4 29816 B13R1.149 C=C(C)COCc1cccc(n1)Cl 34a_100000210245_100000086093 [0,3,0,0,0,0|1,0,0]=4 29817 B13R1.149 C=C(C)COCc1cccc(n1)Cl 34a_100011998359_100000748629 [0,3,0,0,0,0|1,0,0]=4 29818 B13R1.149 C=C(C)COCc1cccc(n1)F 34a_100000086748_100000748629 [0,3,0,0,0,0|1,0,0]=4 29819 B13R1.149 C=C(C)COCc1cccc(n1)F 34a_100000210245_100009819644 [0,3,0,0,0,0|1,0,0]=4 29820 B13R1.149 C=C(C)COCc1ccnc(c1)Br 34a_100000210245_100010243470 [0,3,0,0,0,0|1,0,0]=4 29821 B13R1.149 C=C(C)COCc1ccnc(c1)Br 34a_100009814636_100000748629 [0,3,0,0,0,0|1,0,0]=4 29822 B13R1.149 C=C(C)COCc1ccnc(c1)Br 7a_100009814636_100000748629 [0,3,0,0,0,0|1,0,0]=4 29823 B13R1.149 C=C(C)COCc1ccnc(c1)C 34a_100000210245_200020672517 [0,3,0,0,0,0|1,0,0]=4 29824 B13R1.149 C=C(C)COCc1ccnc(c1)C 34a_100011998630_100000748629 [0,3,0,0,0,0|1,0,0]=4 29825 B13R1.149 C=C(C)COCc1ccnc(c1)Cl 34a_100000210245_100000764220 [0,3,0,0,0,0|1,0,0]=4 29826 B13R1.149 C=C(C)COCc1ccnc(c1)Cl 34a_100000748751_100000748629 [0,3,0,0,0,0|1,0,0]=4 29827 B13R1.149 C=C(C)COCc1ccnc(c1)F 34a_100000082451_100000748629 [0,3,0,0,0,0|1,0,0]=4 29828 B13R1.149 C=C(C)COCc1cncc(c1)Br 34a_100000210245_100000738771 [0,3,0,0,0,0|1,0,0]=4 29829 B13R1.149 C=C(C)COCc1cncc(c1)Br 34a_100011259137_100000748629 [0,3,0,0,0,0|1,0,0]=4 29830 B13R1.149 C=C(C)COCc1cncc(c1)Br 7a_100011259137_100000748629 [0,3,0,0,0,0|1,0,0]=4 29831 B13R1.149 C=C(C)COCc1cncc(c1)C 34a_100000210245_100000716715 [0,3,0,0,0,0|1,0,0]=4 29832 B13R1.149 C=C(C)COCc1cncc(c1)C 34a_100011998709_100000748629 [0,3,0,0,0,0|1,0,0]=4 29833 B13R1.149 C=C(C)COCc1cncc(c1)C 7a_100011998709_100000748629 [0,3,0,0,0,0|1,0,0]=4 29834 B13R1.149 C=C(C)COCc1cncc(c1)Cl 34a_100000092867_100000748629 [0,3,0,0,0,0|1,0,0]=4 29835 B13R1.149 C=C(C)COCc1cncc(c1)Cl 34a_100000210245_100016992070 [0,3,0,0,0,0|1,0,0]=4 29836 B13R1.149 C=C(C)COCc1cncc(c1)Cl 7a_100000092867_100000748629 [0,3,0,0,0,0|1,0,0]=4 29837 B13R1.149 C=C(C)COCc1cncc(c1)F 34a_100000210245_100000725299 [0,3,0,0,0,0|1,0,0]=4 29838 B13R1.149 C=C(C)COCc1cncc(c1)F 34a_100011962875_100000748629 [0,3,0,0,0,0|1,0,0]=4 29839 B13R1.149 C=C(C)COCc1cncc(c1)F 7a_100011962875_100000748629 [0,3,0,0,0,0|1,0,0]=4 29840 B13R1.149 C=C(C)COCc1cncc(c1)N 34a_100000085308_100000748629 [0,3,0,0,0,0|1,0,0]=4 29841 B13R1.149 C=C(C)CSCc1cccc(c1)Br 62a_100000211773_100000211660 [0,3,0,0,0,0|0,1,0]=4 29842 B13R1.149 C=C(C)CSCc1cccc(c1)Br 62a_100000748629_100000211773 [0,3,0,0,0,0|0,1,0]=4 29843 B13R1.149 C=C(C)CSCc1cccc(c1)C 62a_100000211840_100000211660 [0,3,0,0,0,0|0,1,0]=4 29844 B13R1.149 C=C(C)CSCc1cccc(c1)C 62a_100000748629_100000211840 [0,3,0,0,0,0|0,1,0]=4 29845 B13R1.149 C=C(C)CSCc1cccc(c1)Cl 62a_100000187163_100000211660 [0,3,0,0,0,0|0,1,0]=4 29846 B13R1.149 C=C(C)CSCc1cccc(c1)Cl 62a_100000748629_100000187163 [0,3,0,0,0,0|0,1,0]=4 29847 B13R1.149 C=C(C)CSCc1cccc(c1)F 62a_100000230114_100000211660 [0,3,0,0,0,0|0,1,0]=4 29848 B13R1.149 C=C(C)CSCc1cccc(c1)F 62a_100000748629_100000230114 [0,3,0,0,0,0|0,1,0]=4 29849 B13R1.149 C=C(C)CSCc1cccc(c1)I 62a_100000748629_100011218688 [0,3,0,0,0,0|0,1,0]=4 29850 B13R1.149 C=C(C)CSCc1cccc(c1)I 62a_100011218688_100000211660 [0,3,0,0,0,0|0,1,0]=4 29851 B13R1.149 C=C(C)CSCc1cccc(c1)O 62a_100000748629_100011660834 [0,3,0,0,0,0|0,1,0]=4 29852 B13R1.149 C=C(C)CSCc1cccc(c1)O 62a_100011660834_100000211660 [0,3,0,0,0,0|0,1,0]=4 29853 B13R1.149 C=C(F)CNCc1cccc(c1)Br 2230a_100000174977_100009893438 [0,3,0,0,0,0|1,0,0]=4 29854 B13R1.149 C=C(F)CNCc1cccc(c1)Br 34a_100000174977_100009893438 [0,3,0,0,0,0|1,0,0]=4 29855 B13R1.149 C=C(F)CNCc1cccc(c1)C 2230a_100000185548_100009893438 [0,3,0,0,0,0|1,0,0]=4 29856 B13R1.149 C=C(F)CNCc1cccc(c1)C 34a_100000185548_100009893438 [0,3,0,0,0,0|1,0,0]=4 29857 B13R1.149 C=C(F)CNCc1cccc(c1)Cl 2230a_100000174878_100009893438 [0,3,0,0,0,0|1,0,0]=4 29858 B13R1.149 C=C(F)CNCc1cccc(c1)Cl 34a_100000174878_100009893438 [0,3,0,0,0,0|1,0,0]=4 29859 B13R1.149 C=C(F)CNCc1cccc(c1)F 2230a_100000174948_100009893438 [0,3,0,0,0,0|1,0,0]=4 29860 B13R1.149 C=C(F)CNCc1cccc(c1)F 34a_100000174948_100009893438 [0,3,0,0,0,0|1,0,0]=4 29861 B13R1.149 C=C(F)CNCc1cccc(c1)I 2230a_100000106179_100009893438 [0,3,0,0,0,0|1,0,0]=4 29862 B13R1.149 C=C(F)CNCc1cccc(c1)I 34a_100000106179_100009893438 [0,3,0,0,0,0|1,0,0]=4 29863 B13R1.149 C=C(F)CNCc1cccc(c1)O 2230a_100000743036_100009893438 [0,3,0,0,0,0|1,0,0]=4 29864 B13R1.149 C=C(F)CNCc1cccc(c1)O 34a_100000743036_100009893438 [0,3,0,0,0,0|1,0,0]=4 29865 B13R1.149 C=C(F)COCc1cc(ccn1)Br 34a_200010262243_100010173614 [0,3,0,0,0,0|1,0,0]=4 29866 B13R1.149 C=C(F)COCc1cc(ccn1)C 34a_100011998357_100009893438 [0,3,0,0,0,0|1,0,0]=4 29867 B13R1.149 C=C(F)COCc1cc(ccn1)C 34a_200010262243_100000718516 [0,3,0,0,0,0|1,0,0]=4 29868 B13R1.149 C=C(F)COCc1cc(ccn1)Cl 34a_100000748867_100009893438 [0,3,0,0,0,0|1,0,0]=4 29869 B13R1.149 C=C(F)COCc1cc(ccn1)Cl 34a_200010262243_100016988179 [0,3,0,0,0,0|1,0,0]=4 29870 B13R1.149 C=C(F)COCc1cc(ccn1)N 34a_100000692640_100009893438 [0,3,0,0,0,0|1,0,0]=4 29871 B13R1.149 C=C(F)COCc1ccc[n+](c1)[O-] 34a_100000037817_100009893438 [0,3,0,0,0,0|1,0,0]=4 29872 B13R1.149 C=C(F)COCc1ccc[n+](c1)[O-] 7a_100000037817_100000042424 [0,3,0,0,0,0|1,0,0]=4 29873 B13R1.149 C=C(F)COCc1cccc(c1)Br 34a_100000687537_100009893438 [0,3,0,0,0,0|0,0,0]=3 29874 B13R1.149 C=C(F)COCc1cccc(c1)Br 34a_200010262243_100000698116 [0,3,0,0,0,0|0,0,0]=3 29875 B13R1.149 C=C(F)COCc1cccc(c1)Br 7a_100000687537_100000042424 [0,3,0,0,0,0|0,0,0]=3 29876 B13R1.149 C=C(F)COCc1cccc(c1)C 34a_100011217746_100009893438 [0,3,0,0,0,0|0,0,0]=3 29877 B13R1.149 C=C(F)COCc1cccc(c1)C 34a_200010262243_100000211840 [0,3,0,0,0,0|0,0,0]=3 29878 B13R1.149 C=C(F)COCc1cccc(c1)C 7a_100011217746_100000042424 [0,3,0,0,0,0|0,0,0]=3 29879 B13R1.149 C=C(F)COCc1cccc(c1)Cl 34a_100000241301_100009893438 [0,3,0,0,0,0|0,0,0]=3 29880 B13R1.149 C=C(F)COCc1cccc(c1)Cl 34a_200010262243_100000187163 [0,3,0,0,0,0|0,0,0]=3 29881 B13R1.149 C=C(F)COCc1cccc(c1)Cl 7a_100000241301_100000042424 [0,3,0,0,0,0|0,0,0]=3 29882 B13R1.149 C=C(F)COCc1cccc(c1)F 34a_100000210976_100009893438 [0,3,0,0,0,0|0,0,0]=3 29883 B13R1.149 C=C(F)COCc1cccc(c1)F 34a_200010262243_100000187166 [0,3,0,0,0,0|0,0,0]=3 29884 B13R1.149 C=C(F)COCc1cccc(c1)F 7a_100000210976_100000042424 [0,3,0,0,0,0|0,0,0]=3 29885 B13R1.149 C=C(F)COCc1cccc(c1)I 34a_100011215336_100009893438 [0,3,0,0,0,0|0,0,0]=3 29886 B13R1.149 C=C(F)COCc1cccc(c1)I 34a_200010262243_100011218688 [0,3,0,0,0,0|0,0,0]=3 29887 B13R1.149 C=C(F)COCc1cccc(c1)I 7a_100011215336_100000042424 [0,3,0,0,0,0|0,0,0]=3 29888 B13R1.149 C=C(F)COCc1cccc(c1)N 34a_100000211919_100009893438 [0,3,0,0,0,0|0,0,0]=3 29889 B13R1.149 C=C(F)COCc1cccc(c1)O 34a_200010262243_100011660834 [0,3,0,0,0,0|0,0,0]=3 29890 B13R1.149 C=C(F)COCc1cccc(n1)Br 34a_100000694195_100009893438 [0,3,0,0,0,0|1,0,0]=4 29891 B13R1.149 C=C(F)COCc1cccc(n1)Br 34a_200010262243_100009889011 [0,3,0,0,0,0|1,0,0]=4 29892 B13R1.149 C=C(F)COCc1cccc(n1)C 34a_100000690600_100009893438 [0,3,0,0,0,0|1,0,0]=4 29893 B13R1.149 C=C(F)COCc1cccc(n1)C 34a_200010262243_100000757606 [0,3,0,0,0,0|1,0,0]=4 29894 B13R1.149 C=C(F)COCc1cccc(n1)Cl 34a_100011998359_100009893438 [0,3,0,0,0,0|1,0,0]=4 29895 B13R1.149 C=C(F)COCc1cccc(n1)Cl 34a_200010262243_100000086093 [0,3,0,0,0,0|1,0,0]=4 29896 B13R1.149 C=C(F)COCc1cccc(n1)F 34a_100000086748_100009893438 [0,3,0,0,0,0|1,0,0]=4 29897 B13R1.149 C=C(F)COCc1cccc(n1)F 34a_200010262243_100009819644 [0,3,0,0,0,0|1,0,0]=4 29898 B13R1.149 C=C(F)COCc1ccnc(c1)Br 34a_100009814636_100009893438 [0,3,0,0,0,0|1,0,0]=4 29899 B13R1.149 C=C(F)COCc1ccnc(c1)Br 34a_200010262243_100010243470 [0,3,0,0,0,0|1,0,0]=4 29900 B13R1.149 C=C(F)COCc1ccnc(c1)Br 7a_100009814636_100000042424 [0,3,0,0,0,0|1,0,0]=4 29901 B13R1.149 C=C(F)COCc1ccnc(c1)C 34a_100011998630_100009893438 [0,3,0,0,0,0|1,0,0]=4 29902 B13R1.149 C=C(F)COCc1ccnc(c1)C 34a_200010262243_200020672517 [0,3,0,0,0,0|1,0,0]=4 29903 B13R1.149 C=C(F)COCc1ccnc(c1)Cl 34a_100000748751_100009893438 [0,3,0,0,0,0|1,0,0]=4 29904 B13R1.149 C=C(F)COCc1ccnc(c1)Cl 34a_200010262243_100000764220 [0,3,0,0,0,0|1,0,0]=4 29905 B13R1.149 C=C(F)COCc1ccnc(c1)F 34a_100000082451_100009893438 [0,3,0,0,0,0|1,0,0]=4 29906 B13R1.149 C=C(F)COCc1cncc(c1)Br 34a_100011259137_100009893438 [0,3,0,0,0,0|1,0,0]=4 29907 B13R1.149 C=C(F)COCc1cncc(c1)Br 34a_200010262243_100000738771 [0,3,0,0,0,0|1,0,0]=4 29908 B13R1.149 C=C(F)COCc1cncc(c1)Br 7a_100011259137_100000042424 [0,3,0,0,0,0|1,0,0]=4 29909 B13R1.149 C=C(F)COCc1cncc(c1)C 34a_100011998709_100009893438 [0,3,0,0,0,0|1,0,0]=4 29910 B13R1.149 C=C(F)COCc1cncc(c1)C 34a_200010262243_100000716715 [0,3,0,0,0,0|1,0,0]=4 29911 B13R1.149 C=C(F)COCc1cncc(c1)C 7a_100011998709_100000042424 [0,3,0,0,0,0|1,0,0]=4 29912 B13R1.149 C=C(F)COCc1cncc(c1)Cl 34a_100000092867_100009893438 [0,3,0,0,0,0|1,0,0]=4 29913 B13R1.149 C=C(F)COCc1cncc(c1)Cl 34a_200010262243_100016992070 [0,3,0,0,0,0|1,0,0]=4 29914 B13R1.149 C=C(F)COCc1cncc(c1)Cl 7a_100000092867_100000042424 [0,3,0,0,0,0|1,0,0]=4 29915 B13R1.149 C=C(F)COCc1cncc(c1)F 34a_100011962875_100009893438 [0,3,0,0,0,0|1,0,0]=4 29916 B13R1.149 C=C(F)COCc1cncc(c1)F 34a_200010262243_100000725299 [0,3,0,0,0,0|1,0,0]=4 29917 B13R1.149 C=C(F)COCc1cncc(c1)F 7a_100011962875_100000042424 [0,3,0,0,0,0|1,0,0]=4 29918 B13R1.149 C=C(F)COCc1cncc(c1)N 34a_100000085308_100009893438 [0,3,0,0,0,0|1,0,0]=4 29919 B13R1.149 C=C(F)CSCc1cccc(c1)Br 62a_100000042424_100000211773 [0,3,0,0,0,0|0,1,0]=4 29920 B13R1.149 C=C(F)CSCc1cccc(c1)Br 62a_100000211773_100000042424 [0,3,0,0,0,0|0,1,0]=4 29921 B13R1.149 C=C(F)CSCc1cccc(c1)C 62a_100000042424_100000211840 [0,3,0,0,0,0|0,1,0]=4 29922 B13R1.149 C=C(F)CSCc1cccc(c1)C 62a_100000211840_100000042424 [0,3,0,0,0,0|0,1,0]=4 29923 B13R1.149 C=C(F)CSCc1cccc(c1)Cl 62a_100000042424_100000187163 [0,3,0,0,0,0|0,1,0]=4 29924 B13R1.149 C=C(F)CSCc1cccc(c1)Cl 62a_100000187163_100000042424 [0,3,0,0,0,0|0,1,0]=4 29925 B13R1.149 C=C(F)CSCc1cccc(c1)F 62a_100000042424_100000230114 [0,3,0,0,0,0|0,1,0]=4 29926 B13R1.149 C=C(F)CSCc1cccc(c1)F 62a_100000230114_100000042424 [0,3,0,0,0,0|0,1,0]=4 29927 B13R1.149 C=C(F)CSCc1cccc(c1)I 62a_100000042424_100011218688 [0,3,0,0,0,0|0,1,0]=4 29928 B13R1.149 C=C(F)CSCc1cccc(c1)I 62a_100011218688_100000042424 [0,3,0,0,0,0|0,1,0]=4 29929 B13R1.149 C=C(F)CSCc1cccc(c1)O 62a_100000042424_100011660834 [0,3,0,0,0,0|0,1,0]=4 29930 B13R1.149 C=C(F)CSCc1cccc(c1)O 62a_100011660834_100000042424 [0,3,0,0,0,0|0,1,0]=4 29931 B13R1.149 CC(=CCNc1cccc(c1)Br)C 34a_100000210019_100000761012 [0,3,0,0,0,0|1,0,0]=4 29932 B13R1.149 CC(=CCNc1cccc(c1)C)C 2230a_100000188690_100000761012 [0,3,0,0,0,0|1,0,0]=4 29933 B13R1.149 CC(=CCNc1cccc(c1)C)C 34a_100000188690_100000761012 [0,3,0,0,0,0|1,0,0]=4 29934 B13R1.149 CC(=CCNc1cccc(c1)Cl)C 34a_100000185859_100000761012 [0,3,0,0,0,0|1,0,0]=4 29935 B13R1.149 CC(=CCNc1cccc(c1)F)C 34a_100000210047_100000761012 [0,3,0,0,0,0|1,0,0]=4 29936 B13R1.149 CC(=CCNc1cccc(c1)I)C 34a_100000211102_100000761012 [0,3,0,0,0,0|1,0,0]=4 29937 B13R1.149 CC(=CCNc1cccc(c1)O)C 34a_100000210217_100000761012 [0,3,0,0,0,0|1,0,0]=4 29938 B13R1.149 CC(=CCOc1cc[nH]c(=O)c1)C 34a_100000032262_100000761012 [0,3,0,0,0,0|1,0,0]=4 29939 B13R1.149 CC(=CCOc1ccc[n+](c1)[O-])C 34a_100000039713_100000761012 [0,3,0,0,0,0|1,0,0]=4 29940 B13R1.149 CC(=CCOc1ccc[n+](c1)[O-])C 7a_100000039713_100000761012 [0,3,0,0,0,0|1,0,0]=4 29941 B13R1.149 CC(=CCOc1cccc(=O)[nH]1)C 34a_100000033347_100000761012 [0,3,0,0,0,0|1,0,0]=4 29942 B13R1.149 CC(=CCOc1cccc(c1)Br)C 34a_100000210342_100000761012 [0,3,0,0,0,0|0,0,0]=3 29943 B13R1.149 CC(=CCOc1cccc(c1)Br)C 7a_100000210342_100000761012 [0,3,0,0,0,0|0,0,0]=3 29944 B13R1.149 CC(=CCOc1cccc(c1)C)C 34a_100000210337_100000761012 [0,3,0,0,0,0|0,0,0]=3 29945 B13R1.149 CC(=CCOc1cccc(c1)C)C 7a_100000210337_100000761012 [0,3,0,0,0,0|0,0,0]=3 29946 B13R1.149 CC(=CCOc1cccc(c1)Cl)C 34a_100000210295_100000761012 [0,3,0,0,0,0|0,0,0]=3 29947 B13R1.149 CC(=CCOc1cccc(c1)Cl)C 7a_100000210295_100000761012 [0,3,0,0,0,0|0,0,0]=3 29948 B13R1.149 CC(=CCOc1cccc(c1)F)C 34a_100000210426_100000761012 [0,3,0,0,0,0|0,0,0]=3 29949 B13R1.149 CC(=CCOc1cccc(c1)F)C 7a_100000210426_100000761012 [0,3,0,0,0,0|0,0,0]=3 29950 B13R1.149 CC(=CCOc1cccc(c1)I)C 34a_100000211634_100000761012 [0,3,0,0,0,0|0,0,0]=3 29951 B13R1.149 CC(=CCOc1cccc(c1)I)C 7a_100000211634_100000761012 [0,3,0,0,0,0|0,0,0]=3 29952 B13R1.149 CC(=CCOc1cccc(c1)N)C 34a_100000210217_100000761012 [0,3,0,0,0,0|0,0,0]=3 29953 B13R1.149 CC(=CCOc1cccc(n1)F)C 34a_100011432558_100000761012 [0,3,0,0,0,0|1,0,0]=4 29954 B13R1.149 CC(=CCOc1ccnc(c1)C)C 34a_100000688365_100000761012 [0,3,0,0,0,0|1,0,0]=4 29955 B13R1.149 CC(=CCOc1ccnc(c1)Cl)C 34a_100000762945_100000761012 [0,3,0,0,0,0|1,0,0]=4 29956 B13R1.149 CC(=CCOc1ccnc(c1)F)C 34a_100000732698_100000761012 [0,3,0,0,0,0|1,0,0]=4 29957 B13R1.149 CC(=CCOc1ccnc(c1)N)C 34a_100011834064_100000761012 [0,3,0,0,0,0|1,0,0]=4 29958 B13R1.149 CC(=CCOc1cncc(c1)Br)C 34a_100000754920_100000761012 [0,3,0,0,0,0|1,0,0]=4 29959 B13R1.149 CC(=CCOc1cncc(c1)Br)C 7a_100000754920_100000761012 [0,3,0,0,0,0|1,0,0]=4 29960 B13R1.149 CC(=CCOc1cncc(c1)C)C 34a_100011830280_100000761012 [0,3,0,0,0,0|1,0,0]=4 29961 B13R1.149 CC(=CCOc1cncc(c1)C)C 7a_100011830280_100000761012 [0,3,0,0,0,0|1,0,0]=4 29962 B13R1.149 CC(=CCOc1cncc(c1)Cl)C 7a_100000032511_100000761012 [0,3,0,0,0,0|1,0,0]=4 29963 B13R1.149 CC(=CCOc1cncc(c1)F)C 34a_100011830296_100000761012 [0,3,0,0,0,0|1,0,0]=4 29964 B13R1.149 CC(=CCOc1cncc(c1)F)C 7a_100011830296_100000761012 [0,3,0,0,0,0|1,0,0]=4 29965 B13R1.149 CC(=CCOc1cncc(c1)N)C 34a_100011997051_100000761012 [0,3,0,0,0,0|1,0,0]=4 29966 B13R1.149 CC(=CCSc1cccc(c1)Br)C 62a_100000691529_100000761012 [0,3,0,0,0,0|0,1,0]=4 29967 B13R1.149 CC(=CCSc1cccc(c1)Br)C 62a_100000761012_100000691529 [0,3,0,0,0,0|0,1,0]=4 29968 B13R1.149 CC(=CCSc1cccc(c1)C)C 62a_100000761012_100011215228 [0,3,0,0,0,0|0,1,0]=4 29969 B13R1.149 CC(=CCSc1cccc(c1)C)C 62a_100011215228_100000761012 [0,3,0,0,0,0|0,1,0]=4 29970 B13R1.149 CC(=CCSc1cccc(c1)Cl)C 62a_100000699651_100000761012 [0,3,0,0,0,0|0,1,0]=4 29971 B13R1.149 CC(=CCSc1cccc(c1)Cl)C 62a_100000761012_100000699651 [0,3,0,0,0,0|0,1,0]=4 29972 B13R1.149 CC(=CCSc1cccc(c1)F)C 62a_100000685547_100000761012 [0,3,0,0,0,0|0,1,0]=4 29973 B13R1.149 CC(=CCSc1cccc(c1)F)C 62a_100000761012_100000685547 [0,3,0,0,0,0|0,1,0]=4 29974 B13R1.149 CC(=CCSc1cccc(c1)N)C 62a_100000210019_100000761012 [0,3,0,0,0,0|0,1,0]=4 29975 B13R1.149 CC(=CCSc1cccc(c1)N)C 62a_100000761012_100000210019 [0,3,0,0,0,0|0,1,0]=4 29976 B13R1.149 CC(=CCSc1cccc(c1)O)C 62a_100000761012_100000211634 [0,3,0,0,0,0|0,1,0]=4 29977 B13R1.149 CC(=CCSc1cccc(c1)[S])C 62a_100000761012_114929384022 [0,3,0,0,0,0|0,1,0]=4 29978 B13R1.149 CC(=CCSc1cccc(c1)[S])C 62a_114929384022_100000761012 [0,3,0,0,0,0|0,1,0]=4 29979 B13R1.149 CC(=O)CCOc1cccc(c1)Br 1458a_100000070787_100000183150 [0,3,0,0,0,0|0,0,1]=4 29980 B13R1.149 CC(=O)CCOc1cccc(c1)Br 1458a_100000183437_200000210301 [0,3,0,0,0,0|0,0,1]=4 29981 B13R1.149 CC(=O)CCOc1cccc(c1)Br 7a_100000210342_100000053229 [0,3,0,0,0,0|0,0,1]=4 29982 B13R1.149 CC(=O)CCOc1cccc(c1)C 1458a_100000182325_200000210301 [0,3,0,0,0,0|0,0,1]=4 29983 B13R1.149 CC(=O)CCOc1cccc(c1)C 7a_100000210337_100000053229 [0,3,0,0,0,0|0,0,1]=4 29984 B13R1.149 CC(=O)CCOc1cccc(c1)Cl 1458a_100000070787_100000181161 [0,3,0,0,0,0|0,0,1]=4 29985 B13R1.149 CC(=O)CCOc1cccc(c1)Cl 1458a_100000738917_200000210301 [0,3,0,0,0,0|0,0,1]=4 29986 B13R1.149 CC(=O)CCOc1cccc(c1)Cl 7a_100000210295_100000053229 [0,3,0,0,0,0|0,0,1]=4 29987 B13R1.149 CC(=O)CCOc1cccc(c1)F 1458a_100000070787_100000739188 [0,3,0,0,0,0|0,0,1]=4 29988 B13R1.149 CC(=O)CCOc1cccc(c1)F 1458a_100000737089_200000210301 [0,3,0,0,0,0|0,0,1]=4 29989 B13R1.149 CC(=O)CCOc1cccc(c1)F 7a_100000210426_100000053229 [0,3,0,0,0,0|0,0,1]=4 29990 B13R1.149 CC(=O)CCOc1cccc(c1)I 7a_100000211634_100000053229 [0,3,0,0,0,0|0,0,1]=4 29991 B13R1.149 CC(=O)COCc1cccc(c1)Br 34a_100000211253_100000698116 [0,3,0,0,0,0|0,0,1]=4 29992 B13R1.149 CC(=O)COCc1cccc(c1)C 34a_100000211253_100000211840 [0,3,0,0,0,0|0,0,1]=4 29993 B13R1.149 CC(=O)COCc1cccc(c1)Cl 34a_100000211253_100000187163 [0,3,0,0,0,0|0,0,1]=4 29994 B13R1.149 CC(=O)COCc1cccc(c1)F 34a_100000211253_100000187166 [0,3,0,0,0,0|0,0,1]=4 29995 B13R1.149 CC(=O)COCc1cccc(c1)I 34a_100000211253_100011218688 [0,3,0,0,0,0|0,0,1]=4 29996 B13R1.149 CC(=O)COCc1cccc(c1)O 34a_100000211253_100011660834 [0,3,0,0,0,0|0,0,1]=4 29997 B13R1.149 CC(=O)OCOc1cccc(c1)Br 34a_100000210342_100009813279 [0,3,0,0,0,0|0,0,1]=4 29998 B13R1.149 CC(=O)OCOc1cccc(c1)C 34a_100000210337_100009813279 [0,3,0,0,0,0|0,0,1]=4 29999 B13R1.149 CC(=O)OCOc1cccc(c1)Cl 34a_100000210295_100009813279 [0,3,0,0,0,0|0,0,1]=4 30000 B13R1.149 CC(=O)OCOc1cccc(c1)F 34a_100000210426_100009813279 [0,3,0,0,0,0|0,0,1]=4 30001 B13R1.149 CC(=O)OCOc1cccc(c1)I 34a_100000211634_100009813279 [0,3,0,0,0,0|0,0,1]=4 30002 B13R1.149 CC(=O)OCOc1cccc(c1)N 34a_100000210217_100009813279 [0,3,0,0,0,0|0,0,1]=4 30003 B13R1.149 Cc1cccc(c1)COCC(=O)N 34a_100011217746_100000187820 [0,3,0,0,0,0|1,0,0]=4 30004 B13R1.149 Cc1cccc(c1)COCC(=O)N 7a_100011217746_100000187820 [0,3,0,0,0,0|1,0,0]=4 30005 B13R1.149 Cc1cccc(c1)COCC(=O)[O-] 34a_100011217746_100020667443 [0,3,0,0,0,0|1,0,0]=4 30006 B13R1.149 Cc1cccc(c1)OCCC(=O)N 34a_100000210337_100000731001 [0,3,0,0,0,0|0,0,1]=4 30007 B13R1.149 Cc1cccc(c1)OCCC(=O)N 7a_100000210337_100000744528 [0,3,0,0,0,0|0,0,1]=4 30008 B13R1.149 Cc1cccc(c1)OCCC(=O)[13CH3] 1458a_100000182325_200025704644 [0,3,0,0,0,0|0,0,1]=4 30009 B13R1.149 NC(=O)CCOc1cccc(c1)Br 34a_100000210342_100000731001 [0,3,0,0,0,0|0,0,1]=4 30010 B13R1.149 NC(=O)CCOc1cccc(c1)Br 7a_100000210342_100000744528 [0,3,0,0,0,0|0,0,1]=4 30011 B13R1.149 NC(=O)CCOc1cccc(c1)Cl 34a_100000210295_100000731001 [0,3,0,0,0,0|0,0,1]=4 30012 B13R1.149 NC(=O)CCOc1cccc(c1)Cl 7a_100000210295_100000744528 [0,3,0,0,0,0|0,0,1]=4 30013 B13R1.149 NC(=O)CCOc1cccc(c1)F 34a_100000210426_100000731001 [0,3,0,0,0,0|0,0,1]=4 30014 B13R1.149 NC(=O)CCOc1cccc(c1)F 7a_100000210426_100000744528 [0,3,0,0,0,0|0,0,1]=4 30015 B13R1.149 NC(=O)CCOc1cccc(c1)I 34a_100000211634_100000731001 [0,3,0,0,0,0|0,0,1]=4 30016 B13R1.149 NC(=O)CCOc1cccc(c1)I 7a_100000211634_100000744528 [0,3,0,0,0,0|0,0,1]=4 30017 B13R1.149 NC(=O)CCOc1cccc(c1)N 34a_100000210217_100000731001 [0,3,0,0,0,0|0,0,1]=4 30018 B13R1.149 NC(=O)COCc1cccc(c1)Br 34a_100000687537_100000187820 [0,3,0,0,0,0|1,0,0]=4 30019 B13R1.149 NC(=O)COCc1cccc(c1)Br 7a_100000687537_100000187820 [0,3,0,0,0,0|1,0,0]=4 30020 B13R1.149 NC(=O)COCc1cccc(c1)Cl 34a_100000241301_100000187820 [0,3,0,0,0,0|1,0,0]=4 30021 B13R1.149 NC(=O)COCc1cccc(c1)Cl 7a_100000241301_100000187820 [0,3,0,0,0,0|1,0,0]=4 30022 B13R1.149 NC(=O)COCc1cccc(c1)F 34a_100000210976_100000187820 [0,3,0,0,0,0|1,0,0]=4 30023 B13R1.149 NC(=O)COCc1cccc(c1)F 7a_100000210976_100000187820 [0,3,0,0,0,0|1,0,0]=4 30024 B13R1.149 NC(=O)COCc1cccc(c1)I 34a_100011215336_100000187820 [0,3,0,0,0,0|1,0,0]=4 30025 B13R1.149 NC(=O)COCc1cccc(c1)I 7a_100011215336_100000187820 [0,3,0,0,0,0|1,0,0]=4 30026 B13R1.149 NC(=O)COCc1cccc(c1)N 34a_100000211919_100000187820 [0,3,0,0,0,0|1,0,0]=4 30027 B13R1.149 Nc1cccc(c1)COCC(=O)[O-] 34a_100000211919_100020667443 [0,3,0,0,0,0|1,0,0]=4 30028 B13R1.149 O=C([O-])COCc1cccc(c1)Br 34a_100000687537_100020667443 [0,3,0,0,0,0|1,0,0]=4 30029 B13R1.149 O=C([O-])COCc1cccc(c1)Cl 34a_100000241301_100020667443 [0,3,0,0,0,0|1,0,0]=4 30030 B13R1.149 O=C([O-])COCc1cccc(c1)F 34a_100000210976_100020667443 [0,3,0,0,0,0|1,0,0]=4 30031 B13R1.149 O=C([O-])COCc1cccc(c1)I 34a_100011215336_100020667443 [0,3,0,0,0,0|1,0,0]=4 30032 B13R1.149 [13CH3]C(=O)CCOc1cccc(c1)Br 1458a_100000183437_200025704644 [0,3,0,0,0,0|0,0,1]=4 30033 B13R1.149 [13CH3]C(=O)CCOc1cccc(c1)Cl 1458a_100000738917_200025704644 [0,3,0,0,0,0|0,0,1]=4 30034 B13R1.149 [13CH3]C(=O)CCOc1cccc(c1)F 1458a_100000737089_200025704644 [0,3,0,0,0,0|0,0,1]=4 30035 B13R1.666 C#Cc1cccc(c1)COCC=C 34a_100010272118_100015514636 [0,3,0,0,0,0|0,0,0]=3 30036 B13R1.666 C#Cc1cccc(c1)COCC=C 7a_100010272118_100015514636 [0,3,0,0,0,0|0,0,0]=3 30037 B13R1.666 C#Cc1cccc(c1)COCC=O 34a_100010272118_200009817547 [0,3,0,0,0,0|1,0,0]=4 30038 B13R1.666 C#Cc1cccc(c1)COCC=O 7a_100010272118_200015260668 [0,3,0,0,0,0|1,0,0]=4 30039 B13R1.666 C#Cc1cccc(c1)NC/C=C/C 34a_100000735509_100102629194 [0,3,0,0,0,0|1,0,0]=4 30040 B13R1.666 C#Cc1cccc(c1)NCC=CC 2230a_100000735509_100000070051 [0,3,0,0,0,0|1,0,0]=4 30041 B13R1.666 C#Cc1cccc(c1)NCC=CC 34a_100000735509_100000070051 [0,3,0,0,0,0|1,0,0]=4 30042 B13R1.666 C#Cc1cccc(c1)NCCC=C 2230a_100000735509_100000754431 [0,3,0,0,0,0|1,0,0]=4 30043 B13R1.666 C#Cc1cccc(c1)NCCC=C 34a_100000735509_100000754431 [0,3,0,0,0,0|1,0,0]=4 30044 B13R1.666 C#Cc1cccc(c1)OC/C=C/C 34a_100011216014_100102629194 [0,3,0,0,0,0|0,0,0]=3 30045 B13R1.666 C#Cc1cccc(c1)OC/C=C/C 7a_100011216014_100102629194 [0,3,0,0,0,0|0,0,0]=3 30046 B13R1.666 C#Cc1cccc(c1)OCC=CC 34a_100011216014_100000070051 [0,3,0,0,0,0|0,0,0]=3 30047 B13R1.666 C#Cc1cccc(c1)OCC=CC 7a_100011216014_100000070051 [0,3,0,0,0,0|0,0,0]=3 30048 B13R1.666 C#Cc1cccc(c1)OCCC=C 34a_100011216014_100000754431 [0,3,0,0,0,0|0,0,0]=3 30049 B13R1.666 C#Cc1cccc(c1)OCCC=C 7a_100011216014_100000754431 [0,3,0,0,0,0|0,0,0]=3 30050 B13R1.666 C/C=C/CNc1cccc(c1)C#N 34a_100000210922_100102629194 [0,3,0,0,0,0|1,0,0]=4 30051 B13R1.666 C/C=C/CNc1cccc(c1)C#N 7a_100000210922_100102629194 [0,3,0,0,0,0|1,0,0]=4 30052 B13R1.666 C/C=C/CNc1cccc(c1)CC 34a_100000211250_100102629194 [0,3,0,0,0,0|1,0,0]=4 30053 B13R1.666 C/C=C/CNc1cccc(c1)CC 7a_100000211250_100102629194 [0,3,0,0,0,0|1,0,0]=4 30054 B13R1.666 C/C=C/CNc1cccc(c1)CF 34a_100000126320_100102629194 [0,3,0,0,0,0|1,0,0]=4 30055 B13R1.666 C/C=C/CNc1cccc(c1)CF 7a_100000126320_100102629194 [0,3,0,0,0,0|1,0,0]=4 30056 B13R1.666 C/C=C/CNc1cccc(c1)CO 34a_100000211919_100102629194 [0,3,0,0,0,0|1,0,0]=4 30057 B13R1.666 C/C=C/CNc1cccc(c1)OC 34a_100000210024_100102629194 [0,3,0,0,0,0|1,0,0]=4 30058 B13R1.666 C/C=C/CNc1cccc(c1)SC 34a_100000210049_100102629194 [0,3,0,0,0,0|1,0,0]=4 30059 B13R1.666 C/C=C/COc1cc(ccn1)CN 34a_100000748557_100102629194 [0,3,0,0,0,0|1,0,0]=4 30060 B13R1.666 C/C=C/COc1ccc[n+](c1)CC 34a_100000731997_100102629194 [0,3,0,0,0,0|1,0,0]=4 30061 B13R1.666 C/C=C/COc1ccc[n+](c1)CC 7a_100000731997_100102629194 [0,3,0,0,0,0|1,0,0]=4 30062 B13R1.666 C/C=C/COc1cccc(c1)C#N 34a_100000184713_100102629194 [0,3,0,0,0,0|0,0,0]=3 30063 B13R1.666 C/C=C/COc1cccc(c1)C#N 7a_100000184713_100102629194 [0,3,0,0,0,0|0,0,0]=3 30064 B13R1.666 C/C=C/COc1cccc(c1)CBr 34a_100011660834_100102629194 [0,3,0,0,0,0|0,0,0]=3 30065 B13R1.666 C/C=C/COc1cccc(c1)CBr 7a_100011660834_100102629194 [0,3,0,0,0,0|0,0,0]=3 30066 B13R1.666 C/C=C/COc1cccc(c1)CC 34a_100000211550_100102629194 [0,3,0,0,0,0|0,0,0]=3 30067 B13R1.666 C/C=C/COc1cccc(c1)CC 7a_100000211550_100102629194 [0,3,0,0,0,0|0,0,0]=3 30068 B13R1.666 C/C=C/COc1cccc(c1)CCl 34a_100000084143_100102629194 [0,3,0,0,0,0|0,0,0]=3 30069 B13R1.666 C/C=C/COc1cccc(c1)CCl 7a_100000084143_100102629194 [0,3,0,0,0,0|0,0,0]=3 30070 B13R1.666 C/C=C/COc1cccc(c1)CN 34a_100000743036_100102629194 [0,3,0,0,0,0|0,0,0]=3 30071 B13R1.666 C/C=C/COc1cccc(c1)CO 34a_100011214949_100102629194 [0,3,0,0,0,0|0,0,0]=3 30072 B13R1.666 C/C=C/COc1cccc(c1)CO 7a_100011214949_100102629194 [0,3,0,0,0,0|0,0,0]=3 30073 B13R1.666 C/C=C/COc1cccc(c1)NC 34a_100000756613_100102629194 [0,3,0,0,0,0|0,0,0]=3 30074 B13R1.666 C/C=C/COc1cccc(c1)NC 7a_100000756613_100102629194 [0,3,0,0,0,0|0,0,0]=3 30075 B13R1.666 C/C=C/COc1cccc(c1)OC 34a_100000211255_100102629194 [0,3,0,0,0,0|0,0,0]=3 30076 B13R1.666 C/C=C/COc1cccc(c1)OC 7a_100000211255_100102629194 [0,3,0,0,0,0|0,0,0]=3 30077 B13R1.666 C/C=C/COc1cccc(c1)SC 34a_100011265683_100102629194 [0,3,0,0,0,0|0,0,0]=3 30078 B13R1.666 C/C=C/COc1cccc(c1)SC 7a_100011265683_100102629194 [0,3,0,0,0,0|0,0,0]=3 30079 B13R1.666 C/C=C/COc1ccnc(c1)C#N 34a_100011777083_100102629194 [0,3,0,0,0,0|1,0,0]=4 30080 B13R1.666 C/C=C/COc1ccnc(c1)C#N 7a_100011777083_100102629194 [0,3,0,0,0,0|1,0,0]=4 30081 B13R1.666 C/C=C/COc1ccnc(c1)OC 34a_100012181050_100102629194 [0,3,0,0,0,0|1,0,0]=4 30082 B13R1.666 C/C=C/COc1cncc(c1)C#N 34a_100012002025_100102629194 [0,3,0,0,0,0|1,0,0]=4 30083 B13R1.666 C/C=C/COc1cncc(c1)C#N 7a_100012002025_100102629194 [0,3,0,0,0,0|1,0,0]=4 30084 B13R1.666 C/C=C/COc1cncc(c1)CC 34a_200009861530_100102629194 [0,3,0,0,0,0|1,0,0]=4 30085 B13R1.666 C/C=C/COc1cncc(c1)CC 7a_200009861530_100102629194 [0,3,0,0,0,0|1,0,0]=4 30086 B13R1.666 C/C=C/COc1cncc(c1)OC 34a_100000084572_100102629194 [0,3,0,0,0,0|1,0,0]=4 30087 B13R1.666 C/C=C/COc1cncc(c1)OC 7a_100000084572_100102629194 [0,3,0,0,0,0|1,0,0]=4 30088 B13R1.666 C/C=C/CSc1cccc(c1)C#N 62a_100102629194_100000189340 [0,3,0,0,0,0|0,1,0]=4 30089 B13R1.666 C/C=C/CSc1cccc(c1)C=O 62a_100000014684_100102629194 [0,3,0,0,0,0|0,1,0]=4 30090 B13R1.666 C/C=C/CSc1cccc(c1)C=O 62a_100102629194_100000014684 [0,3,0,0,0,0|0,1,0]=4 30091 B13R1.666 C/C=C/CSc1cccc(c1)CC 62a_100011263222_100102629194 [0,3,0,0,0,0|0,1,0]=4 30092 B13R1.666 C/C=C/CSc1cccc(c1)CC 62a_100102629194_100011263222 [0,3,0,0,0,0|0,1,0]=4 30093 B13R1.666 C/C=C/CSc1cccc(c1)CF 62a_100010878472_100102629194 [0,3,0,0,0,0|0,1,0]=4 30094 B13R1.666 C/C=C/CSc1cccc(c1)CF 62a_100102629194_100010878472 [0,3,0,0,0,0|0,1,0]=4 30095 B13R1.666 C/C=C/CSc1cccc(c1)CN 62a_100000106179_100102629194 [0,3,0,0,0,0|0,1,0]=4 30096 B13R1.666 C/C=C/CSc1cccc(c1)CN 62a_100102629194_100000106179 [0,3,0,0,0,0|0,1,0]=4 30097 B13R1.666 C/C=C/CSc1cccc(c1)CO 62a_100000687537_100102629194 [0,3,0,0,0,0|0,1,0]=4 30098 B13R1.666 C/C=C/CSc1cccc(c1)CO 62a_100102629194_100000687537 [0,3,0,0,0,0|0,1,0]=4 30099 B13R1.666 C/C=C/CSc1cccc(c1)NC 62a_100000219648_100102629194 [0,3,0,0,0,0|0,1,0]=4 30100 B13R1.666 C/C=C/CSc1cccc(c1)NC 62a_100102629194_100000219648 [0,3,0,0,0,0|0,1,0]=4 30101 B13R1.666 C/C=C/CSc1cccc(c1)NN 62a_100000217339_100102629194 [0,3,0,0,0,0|0,1,0]=4 30102 B13R1.666 C/C=C/CSc1cccc(c1)NN 62a_100102629194_100000217339 [0,3,0,0,0,0|0,1,0]=4 30103 B13R1.666 C/C=C/CSc1cccc(c1)OC 62a_100102629194_100000170001 [0,3,0,0,0,0|0,1,0]=4 30104 B13R1.666 C/C=C/CSc1cccc(c1)SC 62a_100011215954_100102629194 [0,3,0,0,0,0|0,1,0]=4 30105 B13R1.666 C/C=C/CSc1cccc(c1)SC 62a_100102629194_100011215954 [0,3,0,0,0,0|0,1,0]=4 30106 B13R1.666 C=CCCNc1cccc(c1)C#N 34a_100000210922_100000754431 [0,3,0,0,0,0|1,0,0]=4 30107 B13R1.666 C=CCCNc1cccc(c1)C#N 7a_100000210922_100000754431 [0,3,0,0,0,0|1,0,0]=4 30108 B13R1.666 C=CCCNc1cccc(c1)C=C 34a_100011827668_100000754431 [0,3,0,0,0,0|1,0,0]=4 30109 B13R1.666 C=CCCNc1cccc(c1)CC 2230a_100000211250_100000754431 [0,3,0,0,0,0|1,0,0]=4 30110 B13R1.666 C=CCCNc1cccc(c1)CC 34a_100000211250_100000754431 [0,3,0,0,0,0|1,0,0]=4 30111 B13R1.666 C=CCCNc1cccc(c1)CC 7a_100000211250_100000754431 [0,3,0,0,0,0|1,0,0]=4 30112 B13R1.666 C=CCCNc1cccc(c1)CF 2230a_100000126320_100000754431 [0,3,0,0,0,0|1,0,0]=4 30113 B13R1.666 C=CCCNc1cccc(c1)CF 34a_100000126320_100000754431 [0,3,0,0,0,0|1,0,0]=4 30114 B13R1.666 C=CCCNc1cccc(c1)CF 7a_100000126320_100000754431 [0,3,0,0,0,0|1,0,0]=4 30115 B13R1.666 C=CCCNc1cccc(c1)CO 2230a_100000211919_100000754431 [0,3,0,0,0,0|1,0,0]=4 30116 B13R1.666 C=CCCNc1cccc(c1)CO 34a_100000211919_100000754431 [0,3,0,0,0,0|1,0,0]=4 30117 B13R1.666 C=CCCNc1cccc(c1)OC 34a_100000210024_100000754431 [0,3,0,0,0,0|1,0,0]=4 30118 B13R1.666 C=CCCNc1cccc(c1)SC 2230a_100000210049_100000754431 [0,3,0,0,0,0|1,0,0]=4 30119 B13R1.666 C=CCCNc1cccc(c1)SC 34a_100000210049_100000754431 [0,3,0,0,0,0|1,0,0]=4 30120 B13R1.666 C=CCCOc1cc(ccn1)CN 34a_100000748557_100000754431 [0,3,0,0,0,0|1,0,0]=4 30121 B13R1.666 C=CCCOc1ccc[n+](c1)CC 34a_100000731997_100000754431 [0,3,0,0,0,0|1,0,0]=4 30122 B13R1.666 C=CCCOc1ccc[n+](c1)CC 7a_100000731997_100000754431 [0,3,0,0,0,0|1,0,0]=4 30123 B13R1.666 C=CCCOc1cccc(c1)C#N 34a_100000184713_100000754431 [0,3,0,0,0,0|0,0,0]=3 30124 B13R1.666 C=CCCOc1cccc(c1)C#N 7a_100000184713_100000754431 [0,3,0,0,0,0|0,0,0]=3 30125 B13R1.666 C=CCCOc1cccc(c1)C=C 34a_100011309434_100000754431 [0,3,0,0,0,0|0,0,0]=3 30126 B13R1.666 C=CCCOc1cccc(c1)C=C 7a_100011309434_100000754431 [0,3,0,0,0,0|0,0,0]=3 30127 B13R1.666 C=CCCOc1cccc(c1)CBr 34a_100011660834_100000754431 [0,3,0,0,0,0|0,0,0]=3 30128 B13R1.666 C=CCCOc1cccc(c1)CBr 7a_100011660834_100000754431 [0,3,0,0,0,0|0,0,0]=3 30129 B13R1.666 C=CCCOc1cccc(c1)CC 34a_100000211550_100000754431 [0,3,0,0,0,0|0,0,0]=3 30130 B13R1.666 C=CCCOc1cccc(c1)CC 7a_100000211550_100000754431 [0,3,0,0,0,0|0,0,0]=3 30131 B13R1.666 C=CCCOc1cccc(c1)CCl 34a_100000084143_100000754431 [0,3,0,0,0,0|0,0,0]=3 30132 B13R1.666 C=CCCOc1cccc(c1)CCl 7a_100000084143_100000754431 [0,3,0,0,0,0|0,0,0]=3 30133 B13R1.666 C=CCCOc1cccc(c1)CN 34a_100000743036_100000754431 [0,3,0,0,0,0|0,0,0]=3 30134 B13R1.666 C=CCCOc1cccc(c1)CO 34a_100011214949_100000754431 [0,3,0,0,0,0|0,0,0]=3 30135 B13R1.666 C=CCCOc1cccc(c1)CO 7a_100011214949_100000754431 [0,3,0,0,0,0|0,0,0]=3 30136 B13R1.666 C=CCCOc1cccc(c1)NC 34a_100000756613_100000754431 [0,3,0,0,0,0|0,0,0]=3 30137 B13R1.666 C=CCCOc1cccc(c1)NC 7a_100000756613_100000754431 [0,3,0,0,0,0|0,0,0]=3 30138 B13R1.666 C=CCCOc1cccc(c1)OC 34a_100000211255_100000754431 [0,3,0,0,0,0|0,0,0]=3 30139 B13R1.666 C=CCCOc1cccc(c1)OC 7a_100000211255_100000754431 [0,3,0,0,0,0|0,0,0]=3 30140 B13R1.666 C=CCCOc1cccc(c1)SC 34a_100011265683_100000754431 [0,3,0,0,0,0|0,0,0]=3 30141 B13R1.666 C=CCCOc1cccc(c1)SC 7a_100011265683_100000754431 [0,3,0,0,0,0|0,0,0]=3 30142 B13R1.666 C=CCCOc1ccnc(c1)C#N 34a_100011777083_100000754431 [0,3,0,0,0,0|1,0,0]=4 30143 B13R1.666 C=CCCOc1ccnc(c1)C#N 7a_100011777083_100000754431 [0,3,0,0,0,0|1,0,0]=4 30144 B13R1.666 C=CCCOc1ccnc(c1)OC 34a_100012181050_100000754431 [0,3,0,0,0,0|1,0,0]=4 30145 B13R1.666 C=CCCOc1cncc(c1)C#N 34a_100012002025_100000754431 [0,3,0,0,0,0|1,0,0]=4 30146 B13R1.666 C=CCCOc1cncc(c1)C#N 7a_100012002025_100000754431 [0,3,0,0,0,0|1,0,0]=4 30147 B13R1.666 C=CCCOc1cncc(c1)CC 34a_200009861530_100000754431 [0,3,0,0,0,0|1,0,0]=4 30148 B13R1.666 C=CCCOc1cncc(c1)CC 7a_200009861530_100000754431 [0,3,0,0,0,0|1,0,0]=4 30149 B13R1.666 C=CCCOc1cncc(c1)OC 34a_100000084572_100000754431 [0,3,0,0,0,0|1,0,0]=4 30150 B13R1.666 C=CCCOc1cncc(c1)OC 7a_100000084572_100000754431 [0,3,0,0,0,0|1,0,0]=4 30151 B13R1.666 C=CCCSc1cccc(c1)C#N 62a_100000754431_100000189340 [0,3,0,0,0,0|0,1,0]=4 30152 B13R1.666 C=CCCSc1cccc(c1)C=C 62a_100000754431_100011215241 [0,3,0,0,0,0|0,1,0]=4 30153 B13R1.666 C=CCCSc1cccc(c1)C=C 62a_100011215241_100000754431 [0,3,0,0,0,0|0,1,0]=4 30154 B13R1.666 C=CCCSc1cccc(c1)C=O 62a_100000014684_100000754431 [0,3,0,0,0,0|0,1,0]=4 30155 B13R1.666 C=CCCSc1cccc(c1)C=O 62a_100000754431_100000014684 [0,3,0,0,0,0|0,1,0]=4 30156 B13R1.666 C=CCCSc1cccc(c1)CC 62a_100000754431_100011263222 [0,3,0,0,0,0|0,1,0]=4 30157 B13R1.666 C=CCCSc1cccc(c1)CC 62a_100011263222_100000754431 [0,3,0,0,0,0|0,1,0]=4 30158 B13R1.666 C=CCCSc1cccc(c1)CF 62a_100000754431_100010878472 [0,3,0,0,0,0|0,1,0]=4 30159 B13R1.666 C=CCCSc1cccc(c1)CF 62a_100010878472_100000754431 [0,3,0,0,0,0|0,1,0]=4 30160 B13R1.666 C=CCCSc1cccc(c1)CN 62a_100000106179_100000754431 [0,3,0,0,0,0|0,1,0]=4 30161 B13R1.666 C=CCCSc1cccc(c1)CN 62a_100000754431_100000106179 [0,3,0,0,0,0|0,1,0]=4 30162 B13R1.666 C=CCCSc1cccc(c1)CO 62a_100000687537_100000754431 [0,3,0,0,0,0|0,1,0]=4 30163 B13R1.666 C=CCCSc1cccc(c1)CO 62a_100000754431_100000687537 [0,3,0,0,0,0|0,1,0]=4 30164 B13R1.666 C=CCCSc1cccc(c1)NC 62a_100000219648_100000754431 [0,3,0,0,0,0|0,1,0]=4 30165 B13R1.666 C=CCCSc1cccc(c1)NC 62a_100000754431_100000219648 [0,3,0,0,0,0|0,1,0]=4 30166 B13R1.666 C=CCCSc1cccc(c1)NN 62a_100000217339_100000754431 [0,3,0,0,0,0|0,1,0]=4 30167 B13R1.666 C=CCCSc1cccc(c1)NN 62a_100000754431_100000217339 [0,3,0,0,0,0|0,1,0]=4 30168 B13R1.666 C=CCCSc1cccc(c1)OC 62a_100000754431_100000170001 [0,3,0,0,0,0|0,1,0]=4 30169 B13R1.666 C=CCCSc1cccc(c1)SC 62a_100000754431_100011215954 [0,3,0,0,0,0|0,1,0]=4 30170 B13R1.666 C=CCCSc1cccc(c1)SC 62a_100011215954_100000754431 [0,3,0,0,0,0|0,1,0]=4 30171 B13R1.666 C=CCNCc1cccc(c1)C#N 2230a_100020586998_100000233786 [0,3,0,0,0,0|1,0,0]=4 30172 B13R1.666 C=CCNCc1cccc(c1)C#N 270004a_100020586998_100000241001 [0,3,0,0,0,0|1,0,0]=4 30173 B13R1.666 C=CCNCc1cccc(c1)C#N 34a_100000755147_100015514636 [0,3,0,0,0,0|1,0,0]=4 30174 B13R1.666 C=CCNCc1cccc(c1)C=C 270004a_100020586998_100011218069 [0,3,0,0,0,0|1,0,0]=4 30175 B13R1.666 C=CCNCc1cccc(c1)C=O 2230a_100020586998_100009816774 [0,3,0,0,0,0|1,0,0]=4 30176 B13R1.666 C=CCNCc1cccc(c1)CC 270004a_100020586998_100011999841 [0,3,0,0,0,0|1,0,0]=4 30177 B13R1.666 C=CCNCc1cccc(c1)CO 2230a_100011269909_100000210623 [0,3,0,0,0,0|1,0,0]=4 30178 B13R1.666 C=CCNCc1cccc(c1)CO 2230a_100020586998_100010188025 [0,3,0,0,0,0|1,0,0]=4 30179 B13R1.666 C=CCNCc1cccc(c1)CO 270004a_100020586998_200000050894 [0,3,0,0,0,0|1,0,0]=4 30180 B13R1.666 C=CCNCc1cccc(c1)CO 34a_100011269909_100015514636 [0,3,0,0,0,0|1,0,0]=4 30181 B13R1.666 C=CCNCc1cccc(c1)OC 2230a_100000174954_100000210623 [0,3,0,0,0,0|1,0,0]=4 30182 B13R1.666 C=CCNCc1cccc(c1)OC 2230a_100020586998_100000211672 [0,3,0,0,0,0|1,0,0]=4 30183 B13R1.666 C=CCNCc1cccc(c1)OC 270004a_100020586998_100000170238 [0,3,0,0,0,0|1,0,0]=4 30184 B13R1.666 C=CCNCc1cccc(c1)OC 34a_100000174954_100015514636 [0,3,0,0,0,0|1,0,0]=4 30185 B13R1.666 C=CCNCc1cccc(c1)SC 270004a_100020586998_100011935093 [0,3,0,0,0,0|1,0,0]=4 30186 B13R1.666 C=CCNCc1cccc(c1)SC 62a_100015185876_200000210301 [0,3,0,0,0,0|1,0,0]=4 30187 B13R1.666 C=CCNCc1cccc(c1)SC 62a_200000210301_100015185876 [0,3,0,0,0,0|1,0,0]=4 30188 B13R1.666 C=CCNCc1cccc(c1)S[13CH3] 62a_100015185876_200025704644 [0,3,0,0,0,0|1,0,0]=4 30189 B13R1.666 C=CCNCc1cccc(c1)S[13CH3] 62a_200025704644_100015185876 [0,3,0,0,0,0|1,0,0]=4 30190 B13R1.666 C=CCOCc1cc(ccn1)CN 34a_100020589248_100015514636 [0,3,0,0,0,0|1,0,0]=4 30191 B13R1.666 C=CCOCc1cc(ccn1)OC 34a_100000749536_100015514636 [0,3,0,0,0,0|1,0,0]=4 30192 B13R1.666 C=CCOCc1cc(ccn1)OC 34a_200000210373_100000752681 [0,3,0,0,0,0|1,0,0]=4 30193 B13R1.666 C=CCOCc1cccc(c1)C#N 34a_100000753308_100015514636 [0,3,0,0,0,0|0,0,0]=3 30194 B13R1.666 C=CCOCc1cccc(c1)C#N 34a_200000210373_100000233786 [0,3,0,0,0,0|0,0,0]=3 30195 B13R1.666 C=CCOCc1cccc(c1)C#N 7a_100000753308_100015514636 [0,3,0,0,0,0|0,0,0]=3 30196 B13R1.666 C=CCOCc1cccc(c1)C=O 34a_200000210373_100009816774 [0,3,0,0,0,0|0,0,0]=3 30197 B13R1.666 C=CCOCc1cccc(c1)CBr 34a_100010188025_100015514636 [0,3,0,0,0,0|0,0,0]=3 30198 B13R1.666 C=CCOCc1cccc(c1)CBr 7a_100010188025_100015514636 [0,3,0,0,0,0|0,0,0]=3 30199 B13R1.666 C=CCOCc1cccc(c1)CCl 34a_200000090956_100015514636 [0,3,0,0,0,0|0,0,0]=3 30200 B13R1.666 C=CCOCc1cccc(c1)CCl 7a_200000090956_100015514636 [0,3,0,0,0,0|0,0,0]=3 30201 B13R1.666 C=CCOCc1cccc(c1)CN 34a_100011269909_100015514636 [0,3,0,0,0,0|0,0,0]=3 30202 B13R1.666 C=CCOCc1cccc(c1)CO 34a_200000210373_100010188025 [0,3,0,0,0,0|0,0,0]=3 30203 B13R1.666 C=CCOCc1cccc(c1)OC 34a_100000198976_100015514636 [0,3,0,0,0,0|0,0,0]=3 30204 B13R1.666 C=CCOCc1cccc(c1)OC 34a_200000210373_100000688526 [0,3,0,0,0,0|0,0,0]=3 30205 B13R1.666 C=CCOCc1cccc(n1)C#N 34a_200000210373_100000097530 [0,3,0,0,0,0|1,0,0]=4 30206 B13R1.666 C=CCOCc1cccc(n1)C#N 7a_200000085287_100015514636 [0,3,0,0,0,0|1,0,0]=4 30207 B13R1.666 C=CCOCc1cccc(n1)CO 34a_200000210373_100009813551 [0,3,0,0,0,0|1,0,0]=4 30208 B13R1.666 C=CCOCc1cccc(n1)OC 34a_200000210373_100000755263 [0,3,0,0,0,0|1,0,0]=4 30209 B13R1.666 C=CCOCc1ccnc(c1)C#N 7a_100000767107_100015514636 [0,3,0,0,0,0|1,0,0]=4 30210 B13R1.666 C=CCOCc1ccnc(c1)OC 34a_200000210373_100103152439 [0,3,0,0,0,0|1,0,0]=4 30211 B13R1.666 C=CCOCc1cncc(c1)C#N 34a_200000210373_200020634941 [0,3,0,0,0,0|1,0,0]=4 30212 B13R1.666 C=CCOCc1cncc(c1)C#N 7a_100000085282_100015514636 [0,3,0,0,0,0|1,0,0]=4 30213 B13R1.666 C=CCOCc1cncc(c1)OC 34a_100000732071_100015514636 [0,3,0,0,0,0|1,0,0]=4 30214 B13R1.666 C=CCSCc1cccc(c1)C#N 62a_100000210623_100000233786 [0,3,0,0,0,0|0,1,0]=4 30215 B13R1.666 C=CCSCc1cccc(c1)C=O 62a_100000210623_100009816774 [0,3,0,0,0,0|0,1,0]=4 30216 B13R1.666 C=CCSCc1cccc(c1)C=O 62a_100009816774_100000210623 [0,3,0,0,0,0|0,1,0]=4 30217 B13R1.666 C=CCSCc1cccc(c1)CO 62a_100000210623_100010188025 [0,3,0,0,0,0|0,1,0]=4 30218 B13R1.666 C=CCSCc1cccc(c1)CO 62a_100010188025_100000210623 [0,3,0,0,0,0|0,1,0]=4 30219 B13R1.666 C=CCSCc1cccc(c1)OC 62a_100000210623_100000211672 [0,3,0,0,0,0|0,1,0]=4 30220 B13R1.666 C=CCSCc1cccc(c1)OC 62a_100000688526_100000210623 [0,3,0,0,0,0|0,1,0]=4 30221 B13R1.666 C=Cc1cccc(c1)NC/C=C/C 34a_100011827668_100102629194 [0,3,0,0,0,0|1,0,0]=4 30222 B13R1.666 C=Cc1cccc(c1)NCC=CC 34a_100011827668_100000070051 [0,3,0,0,0,0|1,0,0]=4 30223 B13R1.666 C=Cc1cccc(c1)OC/C=C/C 34a_100011309434_100102629194 [0,3,0,0,0,0|0,0,0]=3 30224 B13R1.666 C=Cc1cccc(c1)OC/C=C/C 7a_100011309434_100102629194 [0,3,0,0,0,0|0,0,0]=3 30225 B13R1.666 C=Cc1cccc(c1)OCC=CC 34a_100011309434_100000070051 [0,3,0,0,0,0|0,0,0]=3 30226 B13R1.666 C=Cc1cccc(c1)OCC=CC 7a_100011309434_100000070051 [0,3,0,0,0,0|0,0,0]=3 30227 B13R1.666 C=Cc1cccc(c1)SC/C=C/C 62a_100011215241_100102629194 [0,3,0,0,0,0|0,1,0]=4 30228 B13R1.666 C=Cc1cccc(c1)SC/C=C/C 62a_100102629194_100011215241 [0,3,0,0,0,0|0,1,0]=4 30229 B13R1.666 C=Cc1cccc(c1)SCC=CC 62a_100000070051_100011215241 [0,3,0,0,0,0|0,1,0]=4 30230 B13R1.666 C=Cc1cccc(c1)SCC=CC 62a_100011215241_100000070051 [0,3,0,0,0,0|0,1,0]=4 30231 B13R1.666 CC=CCNc1cccc(c1)C#N 34a_100000210922_100000070051 [0,3,0,0,0,0|1,0,0]=4 30232 B13R1.666 CC=CCNc1cccc(c1)C#N 7a_100000210922_100000070051 [0,3,0,0,0,0|1,0,0]=4 30233 B13R1.666 CC=CCNc1cccc(c1)CC 2230a_100000211250_100000070051 [0,3,0,0,0,0|1,0,0]=4 30234 B13R1.666 CC=CCNc1cccc(c1)CC 34a_100000211250_100000070051 [0,3,0,0,0,0|1,0,0]=4 30235 B13R1.666 CC=CCNc1cccc(c1)CC 7a_100000211250_100000070051 [0,3,0,0,0,0|1,0,0]=4 30236 B13R1.666 CC=CCNc1cccc(c1)CF 2230a_100000126320_100000070051 [0,3,0,0,0,0|1,0,0]=4 30237 B13R1.666 CC=CCNc1cccc(c1)CF 34a_100000126320_100000070051 [0,3,0,0,0,0|1,0,0]=4 30238 B13R1.666 CC=CCNc1cccc(c1)CF 7a_100000126320_100000070051 [0,3,0,0,0,0|1,0,0]=4 30239 B13R1.666 CC=CCNc1cccc(c1)CO 2230a_100000211919_100000070051 [0,3,0,0,0,0|1,0,0]=4 30240 B13R1.666 CC=CCNc1cccc(c1)CO 34a_100000211919_100000070051 [0,3,0,0,0,0|1,0,0]=4 30241 B13R1.666 CC=CCNc1cccc(c1)OC 34a_100000210024_100000070051 [0,3,0,0,0,0|1,0,0]=4 30242 B13R1.666 CC=CCNc1cccc(c1)SC 2230a_100000210049_100000070051 [0,3,0,0,0,0|1,0,0]=4 30243 B13R1.666 CC=CCNc1cccc(c1)SC 34a_100000210049_100000070051 [0,3,0,0,0,0|1,0,0]=4 30244 B13R1.666 CC=CCOc1cc(ccn1)CN 34a_100000748557_100000070051 [0,3,0,0,0,0|1,0,0]=4 30245 B13R1.666 CC=CCOc1ccc[n+](c1)CC 34a_100000731997_100000070051 [0,3,0,0,0,0|1,0,0]=4 30246 B13R1.666 CC=CCOc1ccc[n+](c1)CC 7a_100000731997_100000070051 [0,3,0,0,0,0|1,0,0]=4 30247 B13R1.666 CC=CCOc1cccc(c1)C#N 34a_100000184713_100000070051 [0,3,0,0,0,0|0,0,0]=3 30248 B13R1.666 CC=CCOc1cccc(c1)C#N 7a_100000184713_100000070051 [0,3,0,0,0,0|0,0,0]=3 30249 B13R1.666 CC=CCOc1cccc(c1)CBr 34a_100011660834_100000070051 [0,3,0,0,0,0|0,0,0]=3 30250 B13R1.666 CC=CCOc1cccc(c1)CBr 7a_100011660834_100000070051 [0,3,0,0,0,0|0,0,0]=3 30251 B13R1.666 CC=CCOc1cccc(c1)CC 34a_100000211550_100000070051 [0,3,0,0,0,0|0,0,0]=3 30252 B13R1.666 CC=CCOc1cccc(c1)CC 7a_100000211550_100000070051 [0,3,0,0,0,0|0,0,0]=3 30253 B13R1.666 CC=CCOc1cccc(c1)CCl 34a_100000084143_100000070051 [0,3,0,0,0,0|0,0,0]=3 30254 B13R1.666 CC=CCOc1cccc(c1)CCl 7a_100000084143_100000070051 [0,3,0,0,0,0|0,0,0]=3 30255 B13R1.666 CC=CCOc1cccc(c1)CN 34a_100000743036_100000070051 [0,3,0,0,0,0|0,0,0]=3 30256 B13R1.666 CC=CCOc1cccc(c1)CO 34a_100011214949_100000070051 [0,3,0,0,0,0|0,0,0]=3 30257 B13R1.666 CC=CCOc1cccc(c1)CO 7a_100011214949_100000070051 [0,3,0,0,0,0|0,0,0]=3 30258 B13R1.666 CC=CCOc1cccc(c1)NC 34a_100000756613_100000070051 [0,3,0,0,0,0|0,0,0]=3 30259 B13R1.666 CC=CCOc1cccc(c1)NC 7a_100000756613_100000070051 [0,3,0,0,0,0|0,0,0]=3 30260 B13R1.666 CC=CCOc1cccc(c1)OC 34a_100000211255_100000070051 [0,3,0,0,0,0|0,0,0]=3 30261 B13R1.666 CC=CCOc1cccc(c1)OC 7a_100000211255_100000070051 [0,3,0,0,0,0|0,0,0]=3 30262 B13R1.666 CC=CCOc1cccc(c1)SC 34a_100011265683_100000070051 [0,3,0,0,0,0|0,0,0]=3 30263 B13R1.666 CC=CCOc1cccc(c1)SC 7a_100011265683_100000070051 [0,3,0,0,0,0|0,0,0]=3 30264 B13R1.666 CC=CCOc1ccnc(c1)C#N 34a_100011777083_100000070051 [0,3,0,0,0,0|1,0,0]=4 30265 B13R1.666 CC=CCOc1ccnc(c1)C#N 7a_100011777083_100000070051 [0,3,0,0,0,0|1,0,0]=4 30266 B13R1.666 CC=CCOc1ccnc(c1)OC 34a_100012181050_100000070051 [0,3,0,0,0,0|1,0,0]=4 30267 B13R1.666 CC=CCOc1cncc(c1)C#N 34a_100012002025_100000070051 [0,3,0,0,0,0|1,0,0]=4 30268 B13R1.666 CC=CCOc1cncc(c1)C#N 7a_100012002025_100000070051 [0,3,0,0,0,0|1,0,0]=4 30269 B13R1.666 CC=CCOc1cncc(c1)CC 34a_200009861530_100000070051 [0,3,0,0,0,0|1,0,0]=4 30270 B13R1.666 CC=CCOc1cncc(c1)CC 7a_200009861530_100000070051 [0,3,0,0,0,0|1,0,0]=4 30271 B13R1.666 CC=CCOc1cncc(c1)OC 34a_100000084572_100000070051 [0,3,0,0,0,0|1,0,0]=4 30272 B13R1.666 CC=CCOc1cncc(c1)OC 7a_100000084572_100000070051 [0,3,0,0,0,0|1,0,0]=4 30273 B13R1.666 CC=CCSc1cccc(c1)C#N 62a_100000070051_100000189340 [0,3,0,0,0,0|0,1,0]=4 30274 B13R1.666 CC=CCSc1cccc(c1)C=O 62a_100000014684_100000070051 [0,3,0,0,0,0|0,1,0]=4 30275 B13R1.666 CC=CCSc1cccc(c1)C=O 62a_100000070051_100000014684 [0,3,0,0,0,0|0,1,0]=4 30276 B13R1.666 CC=CCSc1cccc(c1)CC 62a_100000070051_100011263222 [0,3,0,0,0,0|0,1,0]=4 30277 B13R1.666 CC=CCSc1cccc(c1)CC 62a_100011263222_100000070051 [0,3,0,0,0,0|0,1,0]=4 30278 B13R1.666 CC=CCSc1cccc(c1)CF 62a_100000070051_100010878472 [0,3,0,0,0,0|0,1,0]=4 30279 B13R1.666 CC=CCSc1cccc(c1)CF 62a_100010878472_100000070051 [0,3,0,0,0,0|0,1,0]=4 30280 B13R1.666 CC=CCSc1cccc(c1)CN 62a_100000070051_100000106179 [0,3,0,0,0,0|0,1,0]=4 30281 B13R1.666 CC=CCSc1cccc(c1)CN 62a_100000106179_100000070051 [0,3,0,0,0,0|0,1,0]=4 30282 B13R1.666 CC=CCSc1cccc(c1)CO 62a_100000070051_100000687537 [0,3,0,0,0,0|0,1,0]=4 30283 B13R1.666 CC=CCSc1cccc(c1)CO 62a_100000687537_100000070051 [0,3,0,0,0,0|0,1,0]=4 30284 B13R1.666 CC=CCSc1cccc(c1)NC 62a_100000070051_100000219648 [0,3,0,0,0,0|0,1,0]=4 30285 B13R1.666 CC=CCSc1cccc(c1)NC 62a_100000219648_100000070051 [0,3,0,0,0,0|0,1,0]=4 30286 B13R1.666 CC=CCSc1cccc(c1)NN 62a_100000070051_100000217339 [0,3,0,0,0,0|0,1,0]=4 30287 B13R1.666 CC=CCSc1cccc(c1)NN 62a_100000217339_100000070051 [0,3,0,0,0,0|0,1,0]=4 30288 B13R1.666 CC=CCSc1cccc(c1)OC 62a_100000070051_100000170001 [0,3,0,0,0,0|0,1,0]=4 30289 B13R1.666 CC=CCSc1cccc(c1)SC 62a_100000070051_100011215954 [0,3,0,0,0,0|0,1,0]=4 30290 B13R1.666 CC=CCSc1cccc(c1)SC 62a_100011215954_100000070051 [0,3,0,0,0,0|0,1,0]=4 30291 B13R1.666 COc1cccc(c1)COCC=O 34a_100000198976_200009817547 [0,3,0,0,0,0|1,0,0]=4 30292 B13R1.666 N#Cc1cccc(c1)COCC=O 34a_100000753308_200009817547 [0,3,0,0,0,0|1,0,0]=4 30293 B13R1.666 N#Cc1cccc(c1)COCC=O 7a_100000753308_200015260668 [0,3,0,0,0,0|1,0,0]=4 30294 B13R1.666 NCc1cccc(c1)COCC=O 34a_100011269909_200009817547 [0,3,0,0,0,0|1,0,0]=4 30295 B13R1.666 O=CCOCc1cccc(c1)CBr 34a_100010188025_200009817547 [0,3,0,0,0,0|1,0,0]=4 30296 B13R1.666 O=CCOCc1cccc(c1)CBr 7a_100010188025_200015260668 [0,3,0,0,0,0|1,0,0]=4 30297 B13R1.666 O=CCOCc1cccc(c1)CCl 34a_200000090956_200009817547 [0,3,0,0,0,0|1,0,0]=4 30298 B13R1.666 O=CCOCc1cccc(c1)CCl 7a_200000090956_200015260668 [0,3,0,0,0,0|1,0,0]=4 30299 B13R1.81 C=CC(C)Sc1cccc(c1)C#N 62a_100011215867_100000189340 [0,3,0,0,0,0|0,1,0]=4 30300 B13R1.81 C=CC(C)Sc1cccc(c1)C=O 62a_100011215867_100000014684 [0,3,0,0,0,0|0,1,0]=4 30301 B13R1.81 C=CC(C)Sc1cccc(c1)CC 62a_100011215867_100011263222 [0,3,0,0,0,0|0,1,0]=4 30302 B13R1.81 C=CC(C)Sc1cccc(c1)CF 62a_100011215867_100010878472 [0,3,0,0,0,0|0,1,0]=4 30303 B13R1.81 C=CC(C)Sc1cccc(c1)CN 62a_100011215867_100000106179 [0,3,0,0,0,0|0,1,0]=4 30304 B13R1.81 C=CC(C)Sc1cccc(c1)CO 62a_100011215867_100000687537 [0,3,0,0,0,0|0,1,0]=4 30305 B13R1.81 C=CC(C)Sc1cccc(c1)NC 62a_100011215867_100000219648 [0,3,0,0,0,0|0,1,0]=4 30306 B13R1.81 C=CC(C)Sc1cccc(c1)NN 62a_100011215867_100000217339 [0,3,0,0,0,0|0,1,0]=4 30307 B13R1.81 C=CC(C)Sc1cccc(c1)OC 62a_100011215867_100000170001 [0,3,0,0,0,0|0,1,0]=4 30308 B13R1.81 C=CC(C)Sc1cccc(c1)SC 62a_100011215867_100011215954 [0,3,0,0,0,0|0,1,0]=4 30309 B13R1.81 C=Cc1cccc(c1)SC(C)C=C 62a_100011215867_100011215241 [0,3,0,0,0,0|0,1,0]=4 30310 B13R1.146 Cc1cccc(c1)OC(C=O)C=O 34a_100000210337_100000736813 [0,3,0,0,0,0|1,0,0]=4 30311 B13R1.146 Nc1cccc(c1)OC(C=O)C=O 34a_100000210217_100000736813 [0,3,0,0,0,0|1,0,0]=4 30312 B13R1.146 O=CC(C=O)Oc1cccc(c1)Br 34a_100000210342_100000736813 [0,3,0,0,0,0|1,0,0]=4 30313 B13R1.146 O=CC(C=O)Oc1cccc(c1)Cl 34a_100000210295_100000736813 [0,3,0,0,0,0|1,0,0]=4 30314 B13R1.146 O=CC(C=O)Oc1cccc(c1)F 34a_100000210426_100000736813 [0,3,0,0,0,0|1,0,0]=4 30315 B13R1.146 O=CC(C=O)Oc1cccc(c1)I 34a_100000211634_100000736813 [0,3,0,0,0,0|1,0,0]=4 30316 B13R1.148 CC(=O)C(C)Oc1cccc(c1)Br 1458a_100000246016_200000210301 [0,3,0,0,0,0|0,0,1]=4 30317 B13R1.148 CC(=O)C(C)Oc1cccc(c1)Br 7a_100000210342_100000179758 [0,3,0,0,0,0|0,0,1]=4 30318 B13R1.148 CC(=O)C(C)Oc1cccc(c1)C 1458a_100000183885_200000210301 [0,3,0,0,0,0|0,0,1]=4 30319 B13R1.148 CC(=O)C(C)Oc1cccc(c1)C 7a_100000210337_100000179758 [0,3,0,0,0,0|0,0,1]=4 30320 B13R1.148 CC(=O)C(C)Oc1cccc(c1)Cl 1458a_100000185161_200000210301 [0,3,0,0,0,0|0,0,1]=4 30321 B13R1.148 CC(=O)C(C)Oc1cccc(c1)Cl 7a_100000210295_100000179758 [0,3,0,0,0,0|0,0,1]=4 30322 B13R1.148 CC(=O)C(C)Oc1cccc(c1)F 7a_100000210426_100000179758 [0,3,0,0,0,0|0,0,1]=4 30323 B13R1.148 CC(=O)C(C)Oc1cccc(c1)I 7a_100000211634_100000179758 [0,3,0,0,0,0|0,0,1]=4 30324 B13R1.148 CC(Oc1cccc(c1)Br)C(=O)N 34a_100000210342_100000702099 [0,3,0,0,0,0|1,0,0]=4 30325 B13R1.148 CC(Oc1cccc(c1)Br)C(=O)N 7a_100000210342_100000702099 [0,3,0,0,0,0|1,0,0]=4 30326 B13R1.148 CC(Oc1cccc(c1)Br)C(=O)[13CH3] 1458a_100000246016_200025704644 [0,3,0,0,0,0|0,0,1]=4 30327 B13R1.148 CC(Oc1cccc(c1)Cl)C(=O)N 34a_100000210295_100000702099 [0,3,0,0,0,0|1,0,0]=4 30328 B13R1.148 CC(Oc1cccc(c1)Cl)C(=O)N 7a_100000210295_100000702099 [0,3,0,0,0,0|1,0,0]=4 30329 B13R1.148 CC(Oc1cccc(c1)Cl)C(=O)[13CH3] 1458a_100000185161_200025704644 [0,3,0,0,0,0|0,0,1]=4 30330 B13R1.148 CC(Oc1cccc(c1)F)C(=O)N 34a_100000210426_100000702099 [0,3,0,0,0,0|1,0,0]=4 30331 B13R1.148 CC(Oc1cccc(c1)F)C(=O)N 7a_100000210426_100000702099 [0,3,0,0,0,0|1,0,0]=4 30332 B13R1.148 CC(Oc1cccc(c1)I)C(=O)N 34a_100000211634_100000702099 [0,3,0,0,0,0|1,0,0]=4 30333 B13R1.148 CC(Oc1cccc(c1)I)C(=O)N 7a_100000211634_100000702099 [0,3,0,0,0,0|1,0,0]=4 30334 B13R1.148 CC(Oc1cccc(c1)N)C(=O)N 34a_100000210217_100000702099 [0,3,0,0,0,0|1,0,0]=4 30335 B13R1.148 CC(Oc1cccc(c1)O)C(=O)N 271570a_203496583355_200000150601 [0,3,0,0,0,0|1,0,0]=4 30336 B13R1.148 Cc1cccc(c1)OC(C)C(=O)N 34a_100000210337_100000702099 [0,3,0,0,0,0|1,0,0]=4 30337 B13R1.148 Cc1cccc(c1)OC(C)C(=O)N 7a_100000210337_100000702099 [0,3,0,0,0,0|1,0,0]=4 30338 B13R1.148 Cc1cccc(c1)OC(C)C(=O)[13CH3] 1458a_100000183885_200025704644 [0,3,0,0,0,0|0,0,1]=4 30339 B13R1.148 Cc1cccc(c1)OC(F)C(=O)N 34a_100000210337_100009813875 [0,3,0,0,0,0|1,0,0]=4 30340 B13R1.148 Cc1cccc(c1)OC(F)C(=O)N 7a_100000210337_100009813875 [0,3,0,0,0,0|1,0,0]=4 30341 B13R1.148 Cc1cccc(c1)OC(F)C(=O)[O-] 34a_100000210337_100020610796 [0,3,0,0,0,0|1,0,0]=4 30342 B13R1.148 NC(=O)C(F)Oc1cccc(c1)Br 34a_100000210342_100009813875 [0,3,0,0,0,0|1,0,0]=4 30343 B13R1.148 NC(=O)C(F)Oc1cccc(c1)Br 7a_100000210342_100009813875 [0,3,0,0,0,0|1,0,0]=4 30344 B13R1.148 NC(=O)C(F)Oc1cccc(c1)Cl 34a_100000210295_100009813875 [0,3,0,0,0,0|1,0,0]=4 30345 B13R1.148 NC(=O)C(F)Oc1cccc(c1)Cl 7a_100000210295_100009813875 [0,3,0,0,0,0|1,0,0]=4 30346 B13R1.148 NC(=O)C(F)Oc1cccc(c1)F 34a_100000210426_100009813875 [0,3,0,0,0,0|1,0,0]=4 30347 B13R1.148 NC(=O)C(F)Oc1cccc(c1)F 7a_100000210426_100009813875 [0,3,0,0,0,0|1,0,0]=4 30348 B13R1.148 NC(=O)C(F)Oc1cccc(c1)I 34a_100000211634_100009813875 [0,3,0,0,0,0|1,0,0]=4 30349 B13R1.148 NC(=O)C(F)Oc1cccc(c1)I 7a_100000211634_100009813875 [0,3,0,0,0,0|1,0,0]=4 30350 B13R1.148 NC(=O)C(F)Oc1cccc(c1)N 34a_100000210217_100009813875 [0,3,0,0,0,0|1,0,0]=4 30351 B13R1.148 Nc1cccc(c1)OC(F)C(=O)[O-] 34a_100000210217_100020610796 [0,3,0,0,0,0|1,0,0]=4 30352 B13R1.148 O=C([O-])C(F)Oc1cccc(c1)Br 34a_100000210342_100020610796 [0,3,0,0,0,0|1,0,0]=4 30353 B13R1.148 O=C([O-])C(F)Oc1cccc(c1)Cl 34a_100000210295_100020610796 [0,3,0,0,0,0|1,0,0]=4 30354 B13R1.148 O=C([O-])C(F)Oc1cccc(c1)F 34a_100000210426_100020610796 [0,3,0,0,0,0|1,0,0]=4 30355 B13R1.148 O=C([O-])C(F)Oc1cccc(c1)I 34a_100000211634_100020610796 [0,3,0,0,0,0|1,0,0]=4 30356 B13R1.250 C=CC(F)(F)Sc1cccc(c1)Br 62a_100000691529_100009814244 [0,3,0,0,0,0|0,1,0]=4 30357 B13R1.250 C=CC(F)(F)Sc1cccc(c1)Br 62a_100009814244_100000691529 [0,3,0,0,0,0|0,1,0]=4 30358 B13R1.250 C=CC(F)(F)Sc1cccc(c1)C 62a_100009814244_100011215228 [0,3,0,0,0,0|0,1,0]=4 30359 B13R1.250 C=CC(F)(F)Sc1cccc(c1)C 62a_100011215228_100009814244 [0,3,0,0,0,0|0,1,0]=4 30360 B13R1.250 C=CC(F)(F)Sc1cccc(c1)Cl 62a_100000699651_100009814244 [0,3,0,0,0,0|0,1,0]=4 30361 B13R1.250 C=CC(F)(F)Sc1cccc(c1)Cl 62a_100009814244_100000699651 [0,3,0,0,0,0|0,1,0]=4 30362 B13R1.250 C=CC(F)(F)Sc1cccc(c1)F 62a_100000685547_100009814244 [0,3,0,0,0,0|0,1,0]=4 30363 B13R1.250 C=CC(F)(F)Sc1cccc(c1)F 62a_100009814244_100000685547 [0,3,0,0,0,0|0,1,0]=4 30364 B13R1.250 C=CC(F)(F)Sc1cccc(c1)N 62a_100000210019_100009814244 [0,3,0,0,0,0|0,1,0]=4 30365 B13R1.250 C=CC(F)(F)Sc1cccc(c1)N 62a_100009814244_100000210019 [0,3,0,0,0,0|0,1,0]=4 30366 B13R1.250 C=CC(F)(F)Sc1cccc(c1)O 62a_100009814244_100000211634 [0,3,0,0,0,0|0,1,0]=4 30367 B13R1.250 C=CC(F)(F)Sc1cccc(c1)[S] 62a_100009814244_114929384022 [0,3,0,0,0,0|0,1,0]=4 30368 B13R1.250 C=CC(F)(F)Sc1cccc(c1)[S] 62a_114929384022_100009814244 [0,3,0,0,0,0|0,1,0]=4 30369 B13R1.2874 C=CC(C)Sc1cc(cc(c1)Br)Br 62a_100011215867_100009814770 [0,3,0,0,0,0|0,1,0]=4 30370 B13R1.2874 C=CC(C)Sc1cc(cc(c1)Br)Cl 62a_100011215867_100009814755 [0,3,0,0,0,0|0,1,0]=4 30371 B13R1.2874 C=CC(C)Sc1cc(cc(c1)Br)F 62a_100011215867_100009814764 [0,3,0,0,0,0|0,1,0]=4 30372 B13R1.2874 C=CC(C)Sc1cc(cc(c1)Br)N 62a_100011215867_100009814763 [0,3,0,0,0,0|0,1,0]=4 30373 B13R1.2874 C=CC(C)Sc1cc(cc(c1)Br)O 62a_100011215867_100010068917 [0,3,0,0,0,0|0,1,0]=4 30374 B13R1.2874 C=CC(C)Sc1cc(cc(c1)C)C 62a_100011215867_100011215608 [0,3,0,0,0,0|0,1,0]=4 30375 B13R1.2874 C=CC(C)Sc1cc(cc(c1)Cl)C 62a_100011215867_100010172791 [0,3,0,0,0,0|0,1,0]=4 30376 B13R1.2874 C=CC(C)Sc1cc(cc(c1)Cl)Cl 62a_100011215867_100000747138 [0,3,0,0,0,0|0,1,0]=4 30377 B13R1.2874 C=CC(C)Sc1cc(cc(c1)Cl)F 62a_100011215867_100013859453 [0,3,0,0,0,0|0,1,0]=4 30378 B13R1.2874 C=CC(C)Sc1cc(cc(c1)Cl)N 62a_100011215867_100010147676 [0,3,0,0,0,0|0,1,0]=4 30379 B13R1.2874 C=CC(C)Sc1cc(cc(c1)Cl)O 62a_100011215867_100010068924 [0,3,0,0,0,0|0,1,0]=4 30380 B13R1.2874 C=CC(C)Sc1cc(cc(c1)F)C 62a_100011215867_100011356977 [0,3,0,0,0,0|0,1,0]=4 30381 B13R1.2874 C=CC(C)Sc1cc(cc(c1)F)F 62a_100011215867_100000233788 [0,3,0,0,0,0|0,1,0]=4 30382 B13R1.2874 C=CC(C)Sc1cc(cc(c1)F)N 62a_100011215867_100011356972 [0,3,0,0,0,0|0,1,0]=4 30383 B13R1.2874 C=CC(C)Sc1cc(cc(c1)F)O 62a_100011215867_100000688818 [0,3,0,0,0,0|0,1,0]=4 30384 B13R1.2874 C=CC(C)Sc1cc(cc(c1)N)C 62a_100011215867_100000695972 [0,3,0,0,0,0|0,1,0]=4 30385 B13R1.2874 C=CC(C)Sc1cc(cc(c1)N)N 62a_100011215867_100011999608 [0,3,0,0,0,0|0,1,0]=4 30386 B13R1.2874 C=CC(C)Sc1cc(cc(c1)O)C 62a_100011215867_100011999630 [0,3,0,0,0,0|0,1,0]=4 30387 B13R1.2874 C=CC(C)Sc1cc(cc(c1)O)O 62a_100011215867_100009868816 [0,3,0,0,0,0|0,1,0]=4 30388 B13R1.124 C=CCNc1cc(cc(c1)C#N)Br 34a_100012002331_100015514636 [0,3,0,0,0,0|1,0,0]=4 30389 B13R1.124 C=CCNc1cc(cc(c1)C#N)Br 7a_100012002331_100015514636 [0,3,0,0,0,0|1,0,0]=4 30390 B13R1.124 C=CCNc1cc(cc(c1)C#N)C 34a_100012017395_100015514636 [0,3,0,0,0,0|1,0,0]=4 30391 B13R1.124 C=CCNc1cc(cc(c1)C#N)C 7a_100012017395_100015514636 [0,3,0,0,0,0|1,0,0]=4 30392 B13R1.124 C=CCNc1cc(cc(c1)C#N)Cl 34a_100000068067_100015514636 [0,3,0,0,0,0|1,0,0]=4 30393 B13R1.124 C=CCNc1cc(cc(c1)C#N)Cl 7a_100000068067_100015514636 [0,3,0,0,0,0|1,0,0]=4 30394 B13R1.124 C=CCNc1cc(cc(c1)C#N)F 34a_100011362962_100015514636 [0,3,0,0,0,0|1,0,0]=4 30395 B13R1.124 C=CCNc1cc(cc(c1)C#N)F 7a_100011362962_100015514636 [0,3,0,0,0,0|1,0,0]=4 30396 B13R1.124 C=CCNc1cc(cc(c1)CC)Br 2230a_100010074814_100000210623 [0,3,0,0,0,0|1,0,0]=4 30397 B13R1.124 C=CCNc1cc(cc(c1)CC)Br 34a_100010074814_100015514636 [0,3,0,0,0,0|1,0,0]=4 30398 B13R1.124 C=CCNc1cc(cc(c1)CC)Br 7a_100010074814_100015514636 [0,3,0,0,0,0|1,0,0]=4 30399 B13R1.124 C=CCNc1cc(cc(c1)CC)C 2230a_100012022893_100000210623 [0,3,0,0,0,0|1,0,0]=4 30400 B13R1.124 C=CCNc1cc(cc(c1)CC)C 34a_100012022893_100015514636 [0,3,0,0,0,0|1,0,0]=4 30401 B13R1.124 C=CCNc1cc(cc(c1)CC)C 7a_100012022893_100015514636 [0,3,0,0,0,0|1,0,0]=4 30402 B13R1.124 C=CCNc1cc(cc(c1)CO)Cl 2230a_100012002482_100000210623 [0,3,0,0,0,0|1,0,0]=4 30403 B13R1.124 C=CCNc1cc(cc(c1)CO)Cl 34a_100012002482_100015514636 [0,3,0,0,0,0|1,0,0]=4 30404 B13R1.124 C=CCNc1cc(cc(c1)CO)O 2230a_200000124675_100000210623 [0,3,0,0,0,0|1,0,0]=4 30405 B13R1.124 C=CCNc1cc(cc(c1)CO)O 34a_200000124675_100015514636 [0,3,0,0,0,0|1,0,0]=4 30406 B13R1.124 C=CCNc1cc(cc(c1)OC)Br 34a_100000750983_100015514636 [0,3,0,0,0,0|1,0,0]=4 30407 B13R1.124 C=CCNc1cc(cc(c1)OC)Br 7a_100000750983_100015514636 [0,3,0,0,0,0|1,0,0]=4 30408 B13R1.124 C=CCNc1cc(cc(c1)OC)C 2230a_100012001870_100000210623 [0,3,0,0,0,0|1,0,0]=4 30409 B13R1.124 C=CCNc1cc(cc(c1)OC)C 34a_100012001870_100015514636 [0,3,0,0,0,0|1,0,0]=4 30410 B13R1.124 C=CCNc1cc(cc(c1)OC)C 7a_100012001870_100015514636 [0,3,0,0,0,0|1,0,0]=4 30411 B13R1.124 C=CCNc1cc(cc(c1)OC)Cl 2230a_100000051436_100000210623 [0,3,0,0,0,0|1,0,0]=4 30412 B13R1.124 C=CCNc1cc(cc(c1)OC)Cl 34a_100000051436_100015514636 [0,3,0,0,0,0|1,0,0]=4 30413 B13R1.124 C=CCNc1cc(cc(c1)OC)Cl 7a_100000051436_100015514636 [0,3,0,0,0,0|1,0,0]=4 30414 B13R1.124 C=CCNc1cc(cc(c1)OC)F 2230a_100000687699_100000210623 [0,3,0,0,0,0|1,0,0]=4 30415 B13R1.124 C=CCNc1cc(cc(c1)OC)F 34a_100000687699_100015514636 [0,3,0,0,0,0|1,0,0]=4 30416 B13R1.124 C=CCNc1cc(cc(c1)OC)F 7a_100000687699_100015514636 [0,3,0,0,0,0|1,0,0]=4 30417 B13R1.124 C=CCNc1cc(cc(c1)OC)O 34a_200000692186_100015514636 [0,3,0,0,0,0|1,0,0]=4 30418 B13R1.124 C=CCOc1cc(cc(c1)C#N)Br 34a_100012180112_100015514636 [0,3,0,0,0,0|0,0,0]=3 30419 B13R1.124 C=CCOc1cc(cc(c1)C#N)Br 7a_100012180112_100015514636 [0,3,0,0,0,0|0,0,0]=3 30420 B13R1.124 C=CCOc1cc(cc(c1)C#N)C 34a_100009849966_100015514636 [0,3,0,0,0,0|0,0,0]=3 30421 B13R1.124 C=CCOc1cc(cc(c1)C#N)C 7a_100009849966_100015514636 [0,3,0,0,0,0|0,0,0]=3 30422 B13R1.124 C=CCOc1cc(cc(c1)C#N)Cl 34a_100000724442_100015514636 [0,3,0,0,0,0|0,0,0]=3 30423 B13R1.124 C=CCOc1cc(cc(c1)C#N)Cl 7a_100000724442_100015514636 [0,3,0,0,0,0|0,0,0]=3 30424 B13R1.124 C=CCOc1cc(cc(c1)C#N)F 34a_100000732150_100015514636 [0,3,0,0,0,0|0,0,0]=3 30425 B13R1.124 C=CCOc1cc(cc(c1)C#N)F 7a_100000732150_100015514636 [0,3,0,0,0,0|0,0,0]=3 30426 B13R1.124 C=CCOc1cc(cc(c1)CN)Cl 34a_107254831445_100015514636 [0,3,0,0,0,0|0,0,0]=3 30427 B13R1.124 C=CCOc1cc(cc(c1)CN)F 34a_100160469513_100015514636 [0,3,0,0,0,0|0,0,0]=3 30428 B13R1.124 C=CCOc1cc(cc(c1)CO)N 34a_200000124675_100015514636 [0,3,0,0,0,0|0,0,0]=3 30429 B13R1.124 C=CCOc1cc(cc(c1)OC)Br 34a_100010068927_100015514636 [0,3,0,0,0,0|0,0,0]=3 30430 B13R1.124 C=CCOc1cc(cc(c1)OC)Br 7a_100010068927_100015514636 [0,3,0,0,0,0|0,0,0]=3 30431 B13R1.124 C=CCOc1cc(cc(c1)OC)C 34a_100011216608_100015514636 [0,3,0,0,0,0|0,0,0]=3 30432 B13R1.124 C=CCOc1cc(cc(c1)OC)C 7a_100011216608_100015514636 [0,3,0,0,0,0|0,0,0]=3 30433 B13R1.124 C=CCOc1cc(cc(c1)OC)Cl 34a_100000051430_100015514636 [0,3,0,0,0,0|0,0,0]=3 30434 B13R1.124 C=CCOc1cc(cc(c1)OC)Cl 7a_100000051430_100015514636 [0,3,0,0,0,0|0,0,0]=3 30435 B13R1.124 C=CCOc1cc(cc(c1)OC)F 34a_100011369910_100015514636 [0,3,0,0,0,0|0,0,0]=3 30436 B13R1.124 C=CCOc1cc(cc(c1)OC)F 7a_100011369910_100015514636 [0,3,0,0,0,0|0,0,0]=3 30437 B13R1.124 C=CCOc1cc(cc(c1)OC)N 34a_200000692186_100015514636 [0,3,0,0,0,0|0,0,0]=3 30438 B13R1.124 C=CCOc1cc(cc(c1)OC)N 7a_200000692186_100015514636 [0,3,0,0,0,0|0,0,0]=3 30439 B13R1.124 C=CCSc1cc(cc(c1)C#N)Br 62a_100000210623_100009997436 [0,3,0,0,0,0|0,1,0]=4 30440 B13R1.124 C=CCSc1cc(cc(c1)C#N)C 62a_100000210623_100011998626 [0,3,0,0,0,0|0,1,0]=4 30441 B13R1.124 C=CCSc1cc(cc(c1)C#N)Cl 62a_100000210623_100009827952 [0,3,0,0,0,0|0,1,0]=4 30442 B13R1.124 C=CCSc1cc(cc(c1)C#N)F 62a_100000210623_100000756176 [0,3,0,0,0,0|0,1,0]=4 30443 B13R1.124 C=CCSc1cc(cc(c1)C#N)N 62a_100000210623_100012002331 [0,3,0,0,0,0|0,1,0]=4 30444 B13R1.124 C=CCSc1cc(cc(c1)C#N)O 62a_100000210623_100012180112 [0,3,0,0,0,0|0,1,0]=4 30445 B13R1.124 C=CCSc1cc(cc(c1)C=O)Br 62a_100000210623_100010185649 [0,3,0,0,0,0|0,1,0]=4 30446 B13R1.124 C=CCSc1cc(cc(c1)C=O)Br 62a_100010185649_100000210623 [0,3,0,0,0,0|0,1,0]=4 30447 B13R1.124 C=CCSc1cc(cc(c1)C=O)C 62a_100000210623_100000686105 [0,3,0,0,0,0|0,1,0]=4 30448 B13R1.124 C=CCSc1cc(cc(c1)C=O)C 62a_100000686105_100000210623 [0,3,0,0,0,0|0,1,0]=4 30449 B13R1.124 C=CCSc1cc(cc(c1)C=O)F 62a_100000210623_100011794424 [0,3,0,0,0,0|0,1,0]=4 30450 B13R1.124 C=CCSc1cc(cc(c1)C=O)F 62a_100011794424_100000210623 [0,3,0,0,0,0|0,1,0]=4 30451 B13R1.124 C=CCSc1cc(cc(c1)C=O)O 62a_100000210623_100010176088 [0,3,0,0,0,0|0,1,0]=4 30452 B13R1.124 C=CCSc1cc(cc(c1)C=O)O 62a_100010176088_100000210623 [0,3,0,0,0,0|0,1,0]=4 30453 B13R1.124 C=CCSc1cc(cc(c1)CC)N 62a_100000210623_100010074814 [0,3,0,0,0,0|0,1,0]=4 30454 B13R1.124 C=CCSc1cc(cc(c1)CC)N 62a_100010074814_100000210623 [0,3,0,0,0,0|0,1,0]=4 30455 B13R1.124 C=CCSc1cc(cc(c1)CN)F 62a_100000210623_100020611034 [0,3,0,0,0,0|0,1,0]=4 30456 B13R1.124 C=CCSc1cc(cc(c1)CN)F 62a_100020611034_100000210623 [0,3,0,0,0,0|0,1,0]=4 30457 B13R1.124 C=CCSc1cc(cc(c1)CO)Br 62a_100000210623_100009814756 [0,3,0,0,0,0|0,1,0]=4 30458 B13R1.124 C=CCSc1cc(cc(c1)CO)Br 62a_100009814756_100000210623 [0,3,0,0,0,0|0,1,0]=4 30459 B13R1.124 C=CCSc1cc(cc(c1)CO)C 62a_100000210623_100000720511 [0,3,0,0,0,0|0,1,0]=4 30460 B13R1.124 C=CCSc1cc(cc(c1)CO)C 62a_100000720511_100000210623 [0,3,0,0,0,0|0,1,0]=4 30461 B13R1.124 C=CCSc1cc(cc(c1)CO)F 62a_100000210623_100000766897 [0,3,0,0,0,0|0,1,0]=4 30462 B13R1.124 C=CCSc1cc(cc(c1)CO)F 62a_100000766897_100000210623 [0,3,0,0,0,0|0,1,0]=4 30463 B13R1.124 C=CCSc1cc(cc(c1)NC)F 62a_100000210623_106741647397 [0,3,0,0,0,0|0,1,0]=4 30464 B13R1.124 C=CCSc1cc(cc(c1)NC)F 62a_106741647397_100000210623 [0,3,0,0,0,0|0,1,0]=4 30465 B13R1.124 C=CCSc1cc(cc(c1)OC)Br 62a_100000210623_100010141301 [0,3,0,0,0,0|0,1,0]=4 30466 B13R1.124 C=CCSc1cc(cc(c1)OC)Br 62a_100010141301_100000210623 [0,3,0,0,0,0|0,1,0]=4 30467 B13R1.124 C=CCSc1cc(cc(c1)OC)C 62a_100000210623_100010187550 [0,3,0,0,0,0|0,1,0]=4 30468 B13R1.124 C=CCSc1cc(cc(c1)OC)Cl 62a_100000210623_100010147680 [0,3,0,0,0,0|0,1,0]=4 30469 B13R1.124 C=CCSc1cc(cc(c1)OC)Cl 62a_100010147680_100000210623 [0,3,0,0,0,0|0,1,0]=4 30470 B13R1.124 C=CCSc1cc(cc(c1)OC)F 62a_100000210623_100011934182 [0,3,0,0,0,0|0,1,0]=4 30471 B13R1.124 C=CCSc1cc(cc(c1)OC)F 62a_100011934182_100000210623 [0,3,0,0,0,0|0,1,0]=4 30472 B13R1.124 C=CCSc1cc(cc(c1)OC)N 62a_100000210623_100000750983 [0,3,0,0,0,0|0,1,0]=4 30473 B13R1.124 C=CCSc1cc(cc(c1)OC)N 62a_100000750983_100000210623 [0,3,0,0,0,0|0,1,0]=4 30474 B13R1.124 C=CCSc1cc(cc(c1)OC)O 62a_100000210623_100010068927 [0,3,0,0,0,0|0,1,0]=4 30475 B13R1.124 C=CCSc1cc(cc(c1)SC)C 62a_100000210623_200010709730 [0,3,0,0,0,0|0,1,0]=4 30476 B13R1.124 C=CCSc1cc(cc(c1)SC)C 62a_200010709730_100000210623 [0,3,0,0,0,0|0,1,0]=4 30477 B13R1.124 C=CCSc1cc(cc(c1)SC)F 62a_100000210623_200010245467 [0,3,0,0,0,0|0,1,0]=4 30478 B13R1.124 C=CCSc1cc(cc(c1)SC)F 62a_200010245467_100000210623 [0,3,0,0,0,0|0,1,0]=4 30479 B13R1.124 COc1cc(cc(c1)OCC=O)Br 34a_100010068927_200009817547 [0,3,0,0,0,0|1,0,0]=4 30480 B13R1.124 COc1cc(cc(c1)OCC=O)Br 7a_100010068927_200015260668 [0,3,0,0,0,0|1,0,0]=4 30481 B13R1.124 COc1cc(cc(c1)OCC=O)C 34a_100011216608_200009817547 [0,3,0,0,0,0|1,0,0]=4 30482 B13R1.124 COc1cc(cc(c1)OCC=O)C 7a_100011216608_200015260668 [0,3,0,0,0,0|1,0,0]=4 30483 B13R1.124 COc1cc(cc(c1)OCC=O)Cl 34a_100000051430_200009817547 [0,3,0,0,0,0|1,0,0]=4 30484 B13R1.124 COc1cc(cc(c1)OCC=O)Cl 7a_100000051430_200015260668 [0,3,0,0,0,0|1,0,0]=4 30485 B13R1.124 COc1cc(cc(c1)OCC=O)F 34a_100011369910_200009817547 [0,3,0,0,0,0|1,0,0]=4 30486 B13R1.124 COc1cc(cc(c1)OCC=O)F 7a_100011369910_200015260668 [0,3,0,0,0,0|1,0,0]=4 30487 B13R1.124 COc1cc(cc(c1)OCC=O)N 34a_200000692186_200009817547 [0,3,0,0,0,0|1,0,0]=4 30488 B13R1.124 COc1cc(cc(c1)OCC=O)N 7a_200000692186_200015260668 [0,3,0,0,0,0|1,0,0]=4 30489 B13R1.124 Cc1cc(cc(c1)OCC=O)C#N 34a_100009849966_200009817547 [0,3,0,0,0,0|1,0,0]=4 30490 B13R1.124 Cc1cc(cc(c1)OCC=O)C#N 7a_100009849966_200015260668 [0,3,0,0,0,0|1,0,0]=4 30491 B13R1.124 N#Cc1cc(cc(c1)OCC=O)Br 34a_100012180112_200009817547 [0,3,0,0,0,0|1,0,0]=4 30492 B13R1.124 N#Cc1cc(cc(c1)OCC=O)Br 7a_100012180112_200015260668 [0,3,0,0,0,0|1,0,0]=4 30493 B13R1.124 N#Cc1cc(cc(c1)OCC=O)Cl 34a_100000724442_200009817547 [0,3,0,0,0,0|1,0,0]=4 30494 B13R1.124 N#Cc1cc(cc(c1)OCC=O)Cl 7a_100000724442_200015260668 [0,3,0,0,0,0|1,0,0]=4 30495 B13R1.124 N#Cc1cc(cc(c1)OCC=O)F 34a_100000732150_200009817547 [0,3,0,0,0,0|1,0,0]=4 30496 B13R1.124 N#Cc1cc(cc(c1)OCC=O)F 7a_100000732150_200015260668 [0,3,0,0,0,0|1,0,0]=4 30497 B13R1.124 NCc1cc(cc(c1)OCC=O)Cl 34a_107254831445_200009817547 [0,3,0,0,0,0|1,0,0]=4 30498 B13R1.124 NCc1cc(cc(c1)OCC=O)F 34a_100160469513_200009817547 [0,3,0,0,0,0|1,0,0]=4 30499 B13R1.124 Nc1cc(cc(c1)OCC=O)CO 34a_200000124675_200009817547 [0,3,0,0,0,0|1,0,0]=4 30500 B13R1.3420 C=C(C)CNc1cc(cc(c1)Br)Br 27a_100000765925_100009814770 [0,3,0,0,0,0|1,0,0]=4 30501 B13R1.3420 C=C(C)CNc1cc(cc(c1)Br)Br 34a_100012047176_100000748629 [0,3,0,0,0,0|1,0,0]=4 30502 B13R1.3420 C=C(C)CNc1cc(cc(c1)Br)Br 7a_100012047176_100000748629 [0,3,0,0,0,0|1,0,0]=4 30503 B13R1.3420 C=C(C)CNc1cc(cc(c1)Br)C 34a_100000695972_100000748629 [0,3,0,0,0,0|1,0,0]=4 30504 B13R1.3420 C=C(C)CNc1cc(cc(c1)Br)C 7a_100000695972_100000748629 [0,3,0,0,0,0|1,0,0]=4 30505 B13R1.3420 C=C(C)CNc1cc(cc(c1)Br)Cl 34a_100011934539_100000748629 [0,3,0,0,0,0|1,0,0]=4 30506 B13R1.3420 C=C(C)CNc1cc(cc(c1)Br)Cl 7a_100011934539_100000748629 [0,3,0,0,0,0|1,0,0]=4 30507 B13R1.3420 C=C(C)CNc1cc(cc(c1)Br)F 34a_100000705686_100000748629 [0,3,0,0,0,0|1,0,0]=4 30508 B13R1.3420 C=C(C)CNc1cc(cc(c1)Br)F 7a_100000705686_100000748629 [0,3,0,0,0,0|1,0,0]=4 30509 B13R1.3420 C=C(C)CNc1cc(cc(c1)C)C 2230a_100000210930_100000748629 [0,3,0,0,0,0|1,0,0]=4 30510 B13R1.3420 C=C(C)CNc1cc(cc(c1)C)C 34a_100000210930_100000748629 [0,3,0,0,0,0|1,0,0]=4 30511 B13R1.3420 C=C(C)CNc1cc(cc(c1)C)C 7a_100000210930_100000748629 [0,3,0,0,0,0|1,0,0]=4 30512 B13R1.3420 C=C(C)CNc1cc(cc(c1)Cl)C 2230a_100012022512_100000748629 [0,3,0,0,0,0|1,0,0]=4 30513 B13R1.3420 C=C(C)CNc1cc(cc(c1)Cl)C 34a_100012022512_100000748629 [0,3,0,0,0,0|1,0,0]=4 30514 B13R1.3420 C=C(C)CNc1cc(cc(c1)Cl)C 7a_100012022512_100000748629 [0,3,0,0,0,0|1,0,0]=4 30515 B13R1.3420 C=C(C)CNc1cc(cc(c1)Cl)Cl 34a_100000210456_100000748629 [0,3,0,0,0,0|1,0,0]=4 30516 B13R1.3420 C=C(C)CNc1cc(cc(c1)Cl)Cl 7a_100000210456_100000748629 [0,3,0,0,0,0|1,0,0]=4 30517 B13R1.3420 C=C(C)CNc1cc(cc(c1)Cl)F 34a_100000686136_100000748629 [0,3,0,0,0,0|1,0,0]=4 30518 B13R1.3420 C=C(C)CNc1cc(cc(c1)Cl)F 7a_100000686136_100000748629 [0,3,0,0,0,0|1,0,0]=4 30519 B13R1.3420 C=C(C)CNc1cc(cc(c1)Cl)O 34a_100000123917_100000748629 [0,3,0,0,0,0|1,0,0]=4 30520 B13R1.3420 C=C(C)CNc1cc(cc(c1)Cl)O 7a_100000123917_100000748629 [0,3,0,0,0,0|1,0,0]=4 30521 B13R1.3420 C=C(C)CNc1cc(cc(c1)F)C 2230a_100000742734_100000748629 [0,3,0,0,0,0|1,0,0]=4 30522 B13R1.3420 C=C(C)CNc1cc(cc(c1)F)C 34a_100000742734_100000748629 [0,3,0,0,0,0|1,0,0]=4 30523 B13R1.3420 C=C(C)CNc1cc(cc(c1)F)C 7a_100000742734_100000748629 [0,3,0,0,0,0|1,0,0]=4 30524 B13R1.3420 C=C(C)CNc1cc(cc(c1)F)F 34a_100000233717_100000748629 [0,3,0,0,0,0|1,0,0]=4 30525 B13R1.3420 C=C(C)CNc1cc(cc(c1)F)F 7a_100000233717_100000748629 [0,3,0,0,0,0|1,0,0]=4 30526 B13R1.3420 C=C(C)CNc1cc(cc(c1)I)Br 7a_100009814763_100000748629 [0,3,0,0,0,0|1,0,0]=4 30527 B13R1.3420 C=C(C)CNc1cc(cc(c1)I)Cl 7a_100010147676_100000748629 [0,3,0,0,0,0|1,0,0]=4 30528 B13R1.3420 C=C(C)CNc1cc(cc(c1)I)F 34a_100011356972_100000748629 [0,3,0,0,0,0|1,0,0]=4 30529 B13R1.3420 C=C(C)CNc1cc(cc(c1)I)F 7a_100011356972_100000748629 [0,3,0,0,0,0|1,0,0]=4 30530 B13R1.3420 C=C(C)CNc1cc(cc(c1)I)I 7a_200000696836_100000748629 [0,3,0,0,0,0|1,0,0]=4 30531 B13R1.3420 C=C(C)CNc1cc(cc(c1)O)C 34a_100011995906_100000748629 [0,3,0,0,0,0|1,0,0]=4 30532 B13R1.3420 C=C(C)CNc1cc(cc(c1)O)C 7a_100011995906_100000748629 [0,3,0,0,0,0|1,0,0]=4 30533 B13R1.3420 C=C(C)CNc1cc(cc(c1)O)O 34a_100000043371_100000748629 [0,3,0,0,0,0|1,0,0]=4 30534 B13R1.3420 C=C(C)COc1cc(=O)cc(o1)C 34a_100016989201_100000748629 [0,3,0,0,0,0|1,0,0]=4 30535 B13R1.3420 C=C(C)COc1cc([nH]c(=O)c1)C 34a_100000039070_100000748629 [0,3,0,0,0,0|1,0,0]=4 30536 B13R1.3420 C=C(C)COc1cc(cc(c1)Br)Br 34a_100010167048_100000748629 [0,3,0,0,0,0|0,0,0]=3 30537 B13R1.3420 C=C(C)COc1cc(cc(c1)Br)Br 7a_100010167048_100000748629 [0,3,0,0,0,0|0,0,0]=3 30538 B13R1.3420 C=C(C)COc1cc(cc(c1)Br)C 34a_100011999630_100000748629 [0,3,0,0,0,0|0,0,0]=3 30539 B13R1.3420 C=C(C)COc1cc(cc(c1)Br)C 7a_100011999630_100000748629 [0,3,0,0,0,0|0,0,0]=3 30540 B13R1.3420 C=C(C)COc1cc(cc(c1)Br)Cl 34a_100010185897_100000748629 [0,3,0,0,0,0|0,0,0]=3 30541 B13R1.3420 C=C(C)COc1cc(cc(c1)Br)Cl 7a_100010185897_100000748629 [0,3,0,0,0,0|0,0,0]=3 30542 B13R1.3420 C=C(C)COc1cc(cc(c1)Br)F 34a_100000688818_100000748629 [0,3,0,0,0,0|0,0,0]=3 30543 B13R1.3420 C=C(C)COc1cc(cc(c1)Br)F 7a_100000688818_100000748629 [0,3,0,0,0,0|0,0,0]=3 30544 B13R1.3420 C=C(C)COc1cc(cc(c1)C)C 34a_100000210933_100000748629 [0,3,0,0,0,0|0,0,0]=3 30545 B13R1.3420 C=C(C)COc1cc(cc(c1)C)C 7a_100000210933_100000748629 [0,3,0,0,0,0|0,0,0]=3 30546 B13R1.3420 C=C(C)COc1cc(cc(c1)Cl)C 34a_100000087485_100000748629 [0,3,0,0,0,0|0,0,0]=3 30547 B13R1.3420 C=C(C)COc1cc(cc(c1)Cl)C 7a_100000087485_100000748629 [0,3,0,0,0,0|0,0,0]=3 30548 B13R1.3420 C=C(C)COc1cc(cc(c1)Cl)Cl 34a_100000181315_100000748629 [0,3,0,0,0,0|0,0,0]=3 30549 B13R1.3420 C=C(C)COc1cc(cc(c1)Cl)Cl 7a_100000181315_100000748629 [0,3,0,0,0,0|0,0,0]=3 30550 B13R1.3420 C=C(C)COc1cc(cc(c1)Cl)F 34a_100011219751_100000748629 [0,3,0,0,0,0|0,0,0]=3 30551 B13R1.3420 C=C(C)COc1cc(cc(c1)Cl)F 7a_100011219751_100000748629 [0,3,0,0,0,0|0,0,0]=3 30552 B13R1.3420 C=C(C)COc1cc(cc(c1)Cl)N 34a_100000123917_100000748629 [0,3,0,0,0,0|0,0,0]=3 30553 B13R1.3420 C=C(C)COc1cc(cc(c1)Cl)N 7a_100000123917_100000748629 [0,3,0,0,0,0|0,0,0]=3 30554 B13R1.3420 C=C(C)COc1cc(cc(c1)F)C 34a_100011830401_100000748629 [0,3,0,0,0,0|0,0,0]=3 30555 B13R1.3420 C=C(C)COc1cc(cc(c1)F)C 7a_100011830401_100000748629 [0,3,0,0,0,0|0,0,0]=3 30556 B13R1.3420 C=C(C)COc1cc(cc(c1)F)F 34a_100000747503_100000748629 [0,3,0,0,0,0|0,0,0]=3 30557 B13R1.3420 C=C(C)COc1cc(cc(c1)F)F 7a_100000747503_100000748629 [0,3,0,0,0,0|0,0,0]=3 30558 B13R1.3420 C=C(C)COc1cc(cc(c1)I)Br 34a_100010068917_100000748629 [0,3,0,0,0,0|0,0,0]=3 30559 B13R1.3420 C=C(C)COc1cc(cc(c1)I)Br 7a_100010068917_100000748629 [0,3,0,0,0,0|0,0,0]=3 30560 B13R1.3420 C=C(C)COc1cc(cc(c1)I)Cl 34a_100010068924_100000748629 [0,3,0,0,0,0|0,0,0]=3 30561 B13R1.3420 C=C(C)COc1cc(cc(c1)I)Cl 7a_100010068924_100000748629 [0,3,0,0,0,0|0,0,0]=3 30562 B13R1.3420 C=C(C)COc1cc(cc(c1)I)F 34a_100000717995_100000748629 [0,3,0,0,0,0|0,0,0]=3 30563 B13R1.3420 C=C(C)COc1cc(cc(c1)I)F 7a_100000717995_100000748629 [0,3,0,0,0,0|0,0,0]=3 30564 B13R1.3420 C=C(C)COc1cc(cc(c1)N)C 34a_100011995906_100000748629 [0,3,0,0,0,0|0,0,0]=3 30565 B13R1.3420 C=C(C)COc1cc(cc(c1)N)C 7a_100011995906_100000748629 [0,3,0,0,0,0|0,0,0]=3 30566 B13R1.3420 C=C(C)COc1cc(nc(c1)Br)Br 34a_100010172823_100000748629 [0,3,0,0,0,0|1,0,0]=4 30567 B13R1.3420 C=C(C)COc1cc(nc(c1)Br)Br 7a_100010172823_100000748629 [0,3,0,0,0,0|1,0,0]=4 30568 B13R1.3420 C=C(C)COc1cc(oc(=O)c1)C 34a_100000210952_100000748629 [0,3,0,0,0,0|1,0,0]=4 30569 B13R1.3420 C=C(C)COc1cc(oc(=O)c1)C 7a_100000210952_100000748629 [0,3,0,0,0,0|1,0,0]=4 30570 B13R1.3420 C=C(C)CSc1cc(cc(c1)Br)Br 62a_100000748629_100009814770 [0,3,0,0,0,0|0,1,0]=4 30571 B13R1.3420 C=C(C)CSc1cc(cc(c1)Br)Br 62a_100009814770_100000211660 [0,3,0,0,0,0|0,1,0]=4 30572 B13R1.3420 C=C(C)CSc1cc(cc(c1)Br)Cl 62a_100000748629_100009814755 [0,3,0,0,0,0|0,1,0]=4 30573 B13R1.3420 C=C(C)CSc1cc(cc(c1)Br)Cl 62a_100009814755_100000211660 [0,3,0,0,0,0|0,1,0]=4 30574 B13R1.3420 C=C(C)CSc1cc(cc(c1)Br)F 62a_100000748629_100009814764 [0,3,0,0,0,0|0,1,0]=4 30575 B13R1.3420 C=C(C)CSc1cc(cc(c1)Br)F 62a_100009814764_100000211660 [0,3,0,0,0,0|0,1,0]=4 30576 B13R1.3420 C=C(C)CSc1cc(cc(c1)Br)N 62a_100000748629_100009814763 [0,3,0,0,0,0|0,1,0]=4 30577 B13R1.3420 C=C(C)CSc1cc(cc(c1)Br)N 62a_100009814763_100000211660 [0,3,0,0,0,0|0,1,0]=4 30578 B13R1.3420 C=C(C)CSc1cc(cc(c1)Br)O 62a_100000748629_100010068917 [0,3,0,0,0,0|0,1,0]=4 30579 B13R1.3420 C=C(C)CSc1cc(cc(c1)Br)O 62a_100010068917_100000211660 [0,3,0,0,0,0|0,1,0]=4 30580 B13R1.3420 C=C(C)CSc1cc(cc(c1)C)C 62a_100000748629_100011215608 [0,3,0,0,0,0|0,1,0]=4 30581 B13R1.3420 C=C(C)CSc1cc(cc(c1)C)C 62a_100011215608_100000211660 [0,3,0,0,0,0|0,1,0]=4 30582 B13R1.3420 C=C(C)CSc1cc(cc(c1)Cl)C 62a_100000748629_100010172791 [0,3,0,0,0,0|0,1,0]=4 30583 B13R1.3420 C=C(C)CSc1cc(cc(c1)Cl)C 62a_100010172791_100000211660 [0,3,0,0,0,0|0,1,0]=4 30584 B13R1.3420 C=C(C)CSc1cc(cc(c1)Cl)Cl 62a_100000747138_100000211660 [0,3,0,0,0,0|0,1,0]=4 30585 B13R1.3420 C=C(C)CSc1cc(cc(c1)Cl)Cl 62a_100000748629_100000747138 [0,3,0,0,0,0|0,1,0]=4 30586 B13R1.3420 C=C(C)CSc1cc(cc(c1)Cl)F 62a_100000748629_100013859453 [0,3,0,0,0,0|0,1,0]=4 30587 B13R1.3420 C=C(C)CSc1cc(cc(c1)Cl)F 62a_100013859453_100000211660 [0,3,0,0,0,0|0,1,0]=4 30588 B13R1.3420 C=C(C)CSc1cc(cc(c1)Cl)N 62a_100000748629_100010147676 [0,3,0,0,0,0|0,1,0]=4 30589 B13R1.3420 C=C(C)CSc1cc(cc(c1)Cl)N 62a_100010147676_100000211660 [0,3,0,0,0,0|0,1,0]=4 30590 B13R1.3420 C=C(C)CSc1cc(cc(c1)Cl)O 62a_100000748629_100010068924 [0,3,0,0,0,0|0,1,0]=4 30591 B13R1.3420 C=C(C)CSc1cc(cc(c1)Cl)O 62a_100010068924_100000211660 [0,3,0,0,0,0|0,1,0]=4 30592 B13R1.3420 C=C(C)CSc1cc(cc(c1)F)C 62a_100000748629_100011356977 [0,3,0,0,0,0|0,1,0]=4 30593 B13R1.3420 C=C(C)CSc1cc(cc(c1)F)C 62a_100011356977_100000211660 [0,3,0,0,0,0|0,1,0]=4 30594 B13R1.3420 C=C(C)CSc1cc(cc(c1)F)F 62a_100000233788_100000211660 [0,3,0,0,0,0|0,1,0]=4 30595 B13R1.3420 C=C(C)CSc1cc(cc(c1)F)F 62a_100000748629_100000233788 [0,3,0,0,0,0|0,1,0]=4 30596 B13R1.3420 C=C(C)CSc1cc(cc(c1)F)N 62a_100000748629_100011356972 [0,3,0,0,0,0|0,1,0]=4 30597 B13R1.3420 C=C(C)CSc1cc(cc(c1)F)N 62a_100011356972_100000211660 [0,3,0,0,0,0|0,1,0]=4 30598 B13R1.3420 C=C(C)CSc1cc(cc(c1)F)O 62a_100000688818_100000211660 [0,3,0,0,0,0|0,1,0]=4 30599 B13R1.3420 C=C(C)CSc1cc(cc(c1)F)O 62a_100000748629_100000688818 [0,3,0,0,0,0|0,1,0]=4 30600 B13R1.3420 C=C(C)CSc1cc(cc(c1)N)C 62a_100000695972_100000211660 [0,3,0,0,0,0|0,1,0]=4 30601 B13R1.3420 C=C(C)CSc1cc(cc(c1)N)C 62a_100000748629_100000695972 [0,3,0,0,0,0|0,1,0]=4 30602 B13R1.3420 C=C(C)CSc1cc(cc(c1)N)N 62a_100000748629_100011999608 [0,3,0,0,0,0|0,1,0]=4 30603 B13R1.3420 C=C(C)CSc1cc(cc(c1)N)N 62a_100011999608_100000211660 [0,3,0,0,0,0|0,1,0]=4 30604 B13R1.3420 C=C(C)CSc1cc(cc(c1)O)C 62a_100000748629_100011999630 [0,3,0,0,0,0|0,1,0]=4 30605 B13R1.3420 C=C(C)CSc1cc(cc(c1)O)O 62a_100000748629_100009868816 [0,3,0,0,0,0|0,1,0]=4 30606 B13R1.3420 C=C(F)CNc1cc(cc(c1)Br)Br 34a_100012047176_100009893438 [0,3,0,0,0,0|1,0,0]=4 30607 B13R1.3420 C=C(F)CNc1cc(cc(c1)Br)Br 7a_100012047176_100000042424 [0,3,0,0,0,0|1,0,0]=4 30608 B13R1.3420 C=C(F)CNc1cc(cc(c1)Br)C 34a_100000695972_100009893438 [0,3,0,0,0,0|1,0,0]=4 30609 B13R1.3420 C=C(F)CNc1cc(cc(c1)Br)C 7a_100000695972_100000042424 [0,3,0,0,0,0|1,0,0]=4 30610 B13R1.3420 C=C(F)CNc1cc(cc(c1)Br)Cl 34a_100011934539_100009893438 [0,3,0,0,0,0|1,0,0]=4 30611 B13R1.3420 C=C(F)CNc1cc(cc(c1)Br)Cl 7a_100011934539_100000042424 [0,3,0,0,0,0|1,0,0]=4 30612 B13R1.3420 C=C(F)CNc1cc(cc(c1)Br)F 34a_100000705686_100009893438 [0,3,0,0,0,0|1,0,0]=4 30613 B13R1.3420 C=C(F)CNc1cc(cc(c1)Br)F 7a_100000705686_100000042424 [0,3,0,0,0,0|1,0,0]=4 30614 B13R1.3420 C=C(F)CNc1cc(cc(c1)C)C 2230a_100000210930_100009893438 [0,3,0,0,0,0|1,0,0]=4 30615 B13R1.3420 C=C(F)CNc1cc(cc(c1)C)C 34a_100000210930_100009893438 [0,3,0,0,0,0|1,0,0]=4 30616 B13R1.3420 C=C(F)CNc1cc(cc(c1)C)C 7a_100000210930_100000042424 [0,3,0,0,0,0|1,0,0]=4 30617 B13R1.3420 C=C(F)CNc1cc(cc(c1)Cl)C 2230a_100012022512_100009893438 [0,3,0,0,0,0|1,0,0]=4 30618 B13R1.3420 C=C(F)CNc1cc(cc(c1)Cl)C 34a_100012022512_100009893438 [0,3,0,0,0,0|1,0,0]=4 30619 B13R1.3420 C=C(F)CNc1cc(cc(c1)Cl)C 7a_100012022512_100000042424 [0,3,0,0,0,0|1,0,0]=4 30620 B13R1.3420 C=C(F)CNc1cc(cc(c1)Cl)Cl 34a_100000210456_100009893438 [0,3,0,0,0,0|1,0,0]=4 30621 B13R1.3420 C=C(F)CNc1cc(cc(c1)Cl)Cl 7a_100000210456_100000042424 [0,3,0,0,0,0|1,0,0]=4 30622 B13R1.3420 C=C(F)CNc1cc(cc(c1)Cl)F 34a_100000686136_100009893438 [0,3,0,0,0,0|1,0,0]=4 30623 B13R1.3420 C=C(F)CNc1cc(cc(c1)Cl)F 7a_100000686136_100000042424 [0,3,0,0,0,0|1,0,0]=4 30624 B13R1.3420 C=C(F)CNc1cc(cc(c1)Cl)O 34a_100000123917_100009893438 [0,3,0,0,0,0|1,0,0]=4 30625 B13R1.3420 C=C(F)CNc1cc(cc(c1)Cl)O 7a_100000123917_100000042424 [0,3,0,0,0,0|1,0,0]=4 30626 B13R1.3420 C=C(F)CNc1cc(cc(c1)F)C 2230a_100000742734_100009893438 [0,3,0,0,0,0|1,0,0]=4 30627 B13R1.3420 C=C(F)CNc1cc(cc(c1)F)C 34a_100000742734_100009893438 [0,3,0,0,0,0|1,0,0]=4 30628 B13R1.3420 C=C(F)CNc1cc(cc(c1)F)C 7a_100000742734_100000042424 [0,3,0,0,0,0|1,0,0]=4 30629 B13R1.3420 C=C(F)CNc1cc(cc(c1)F)F 34a_100000233717_100009893438 [0,3,0,0,0,0|1,0,0]=4 30630 B13R1.3420 C=C(F)CNc1cc(cc(c1)F)F 7a_100000233717_100000042424 [0,3,0,0,0,0|1,0,0]=4 30631 B13R1.3420 C=C(F)CNc1cc(cc(c1)I)Br 7a_100009814763_100000042424 [0,3,0,0,0,0|1,0,0]=4 30632 B13R1.3420 C=C(F)CNc1cc(cc(c1)I)Cl 7a_100010147676_100000042424 [0,3,0,0,0,0|1,0,0]=4 30633 B13R1.3420 C=C(F)CNc1cc(cc(c1)I)F 34a_100011356972_100009893438 [0,3,0,0,0,0|1,0,0]=4 30634 B13R1.3420 C=C(F)CNc1cc(cc(c1)I)F 7a_100011356972_100000042424 [0,3,0,0,0,0|1,0,0]=4 30635 B13R1.3420 C=C(F)CNc1cc(cc(c1)I)I 7a_200000696836_100000042424 [0,3,0,0,0,0|1,0,0]=4 30636 B13R1.3420 C=C(F)CNc1cc(cc(c1)O)C 34a_100011995906_100009893438 [0,3,0,0,0,0|1,0,0]=4 30637 B13R1.3420 C=C(F)CNc1cc(cc(c1)O)C 7a_100011995906_100000042424 [0,3,0,0,0,0|1,0,0]=4 30638 B13R1.3420 C=C(F)CNc1cc(cc(c1)O)O 34a_100000043371_100009893438 [0,3,0,0,0,0|1,0,0]=4 30639 B13R1.3420 C=C(F)COc1cc(=O)cc(o1)C 34a_100016989201_100009893438 [0,3,0,0,0,0|1,0,0]=4 30640 B13R1.3420 C=C(F)COc1cc([nH]c(=O)c1)C 34a_100000039070_100009893438 [0,3,0,0,0,0|1,0,0]=4 30641 B13R1.3420 C=C(F)COc1cc(cc(c1)Br)Br 34a_100010167048_100009893438 [0,3,0,0,0,0|0,0,0]=3 30642 B13R1.3420 C=C(F)COc1cc(cc(c1)Br)Br 7a_100010167048_100000042424 [0,3,0,0,0,0|0,0,0]=3 30643 B13R1.3420 C=C(F)COc1cc(cc(c1)Br)C 34a_100011999630_100009893438 [0,3,0,0,0,0|0,0,0]=3 30644 B13R1.3420 C=C(F)COc1cc(cc(c1)Br)C 7a_100011999630_100000042424 [0,3,0,0,0,0|0,0,0]=3 30645 B13R1.3420 C=C(F)COc1cc(cc(c1)Br)Cl 34a_100010185897_100009893438 [0,3,0,0,0,0|0,0,0]=3 30646 B13R1.3420 C=C(F)COc1cc(cc(c1)Br)Cl 7a_100010185897_100000042424 [0,3,0,0,0,0|0,0,0]=3 30647 B13R1.3420 C=C(F)COc1cc(cc(c1)Br)F 34a_100000688818_100009893438 [0,3,0,0,0,0|0,0,0]=3 30648 B13R1.3420 C=C(F)COc1cc(cc(c1)Br)F 7a_100000688818_100000042424 [0,3,0,0,0,0|0,0,0]=3 30649 B13R1.3420 C=C(F)COc1cc(cc(c1)C)C 34a_100000210933_100009893438 [0,3,0,0,0,0|0,0,0]=3 30650 B13R1.3420 C=C(F)COc1cc(cc(c1)C)C 7a_100000210933_100000042424 [0,3,0,0,0,0|0,0,0]=3 30651 B13R1.3420 C=C(F)COc1cc(cc(c1)Cl)C 34a_100000087485_100009893438 [0,3,0,0,0,0|0,0,0]=3 30652 B13R1.3420 C=C(F)COc1cc(cc(c1)Cl)C 7a_100000087485_100000042424 [0,3,0,0,0,0|0,0,0]=3 30653 B13R1.3420 C=C(F)COc1cc(cc(c1)Cl)Cl 34a_100000181315_100009893438 [0,3,0,0,0,0|0,0,0]=3 30654 B13R1.3420 C=C(F)COc1cc(cc(c1)Cl)Cl 7a_100000181315_100000042424 [0,3,0,0,0,0|0,0,0]=3 30655 B13R1.3420 C=C(F)COc1cc(cc(c1)Cl)F 34a_100011219751_100009893438 [0,3,0,0,0,0|0,0,0]=3 30656 B13R1.3420 C=C(F)COc1cc(cc(c1)Cl)F 7a_100011219751_100000042424 [0,3,0,0,0,0|0,0,0]=3 30657 B13R1.3420 C=C(F)COc1cc(cc(c1)Cl)N 34a_100000123917_100009893438 [0,3,0,0,0,0|0,0,0]=3 30658 B13R1.3420 C=C(F)COc1cc(cc(c1)Cl)N 7a_100000123917_100000042424 [0,3,0,0,0,0|0,0,0]=3 30659 B13R1.3420 C=C(F)COc1cc(cc(c1)F)C 34a_100011830401_100009893438 [0,3,0,0,0,0|0,0,0]=3 30660 B13R1.3420 C=C(F)COc1cc(cc(c1)F)C 7a_100011830401_100000042424 [0,3,0,0,0,0|0,0,0]=3 30661 B13R1.3420 C=C(F)COc1cc(cc(c1)F)F 34a_100000747503_100009893438 [0,3,0,0,0,0|0,0,0]=3 30662 B13R1.3420 C=C(F)COc1cc(cc(c1)F)F 7a_100000747503_100000042424 [0,3,0,0,0,0|0,0,0]=3 30663 B13R1.3420 C=C(F)COc1cc(cc(c1)I)Br 34a_100010068917_100009893438 [0,3,0,0,0,0|0,0,0]=3 30664 B13R1.3420 C=C(F)COc1cc(cc(c1)I)Br 7a_100010068917_100000042424 [0,3,0,0,0,0|0,0,0]=3 30665 B13R1.3420 C=C(F)COc1cc(cc(c1)I)Cl 34a_100010068924_100009893438 [0,3,0,0,0,0|0,0,0]=3 30666 B13R1.3420 C=C(F)COc1cc(cc(c1)I)Cl 7a_100010068924_100000042424 [0,3,0,0,0,0|0,0,0]=3 30667 B13R1.3420 C=C(F)COc1cc(cc(c1)I)F 34a_100000717995_100009893438 [0,3,0,0,0,0|0,0,0]=3 30668 B13R1.3420 C=C(F)COc1cc(cc(c1)I)F 7a_100000717995_100000042424 [0,3,0,0,0,0|0,0,0]=3 30669 B13R1.3420 C=C(F)COc1cc(cc(c1)N)C 34a_100011995906_100009893438 [0,3,0,0,0,0|0,0,0]=3 30670 B13R1.3420 C=C(F)COc1cc(cc(c1)N)C 7a_100011995906_100000042424 [0,3,0,0,0,0|0,0,0]=3 30671 B13R1.3420 C=C(F)COc1cc(nc(c1)Br)Br 34a_100010172823_100009893438 [0,3,0,0,0,0|1,0,0]=4 30672 B13R1.3420 C=C(F)COc1cc(nc(c1)Br)Br 7a_100010172823_100000042424 [0,3,0,0,0,0|1,0,0]=4 30673 B13R1.3420 C=C(F)COc1cc(oc(=O)c1)C 34a_100000210952_100009893438 [0,3,0,0,0,0|1,0,0]=4 30674 B13R1.3420 C=C(F)COc1cc(oc(=O)c1)C 7a_100000210952_100000042424 [0,3,0,0,0,0|1,0,0]=4 30675 B13R1.3420 C=C(F)CSc1cc(cc(c1)Br)Br 62a_100000042424_100009814770 [0,3,0,0,0,0|0,1,0]=4 30676 B13R1.3420 C=C(F)CSc1cc(cc(c1)Br)Br 62a_100009814770_100000042424 [0,3,0,0,0,0|0,1,0]=4 30677 B13R1.3420 C=C(F)CSc1cc(cc(c1)Br)Cl 62a_100000042424_100009814755 [0,3,0,0,0,0|0,1,0]=4 30678 B13R1.3420 C=C(F)CSc1cc(cc(c1)Br)Cl 62a_100009814755_100000042424 [0,3,0,0,0,0|0,1,0]=4 30679 B13R1.3420 C=C(F)CSc1cc(cc(c1)Br)F 62a_100000042424_100009814764 [0,3,0,0,0,0|0,1,0]=4 30680 B13R1.3420 C=C(F)CSc1cc(cc(c1)Br)F 62a_100009814764_100000042424 [0,3,0,0,0,0|0,1,0]=4 30681 B13R1.3420 C=C(F)CSc1cc(cc(c1)Br)N 62a_100000042424_100009814763 [0,3,0,0,0,0|0,1,0]=4 30682 B13R1.3420 C=C(F)CSc1cc(cc(c1)Br)N 62a_100009814763_100000042424 [0,3,0,0,0,0|0,1,0]=4 30683 B13R1.3420 C=C(F)CSc1cc(cc(c1)Br)O 62a_100000042424_100010068917 [0,3,0,0,0,0|0,1,0]=4 30684 B13R1.3420 C=C(F)CSc1cc(cc(c1)Br)O 62a_100010068917_100000042424 [0,3,0,0,0,0|0,1,0]=4 30685 B13R1.3420 C=C(F)CSc1cc(cc(c1)C)C 62a_100000042424_100011215608 [0,3,0,0,0,0|0,1,0]=4 30686 B13R1.3420 C=C(F)CSc1cc(cc(c1)C)C 62a_100011215608_100000042424 [0,3,0,0,0,0|0,1,0]=4 30687 B13R1.3420 C=C(F)CSc1cc(cc(c1)Cl)C 62a_100000042424_100010172791 [0,3,0,0,0,0|0,1,0]=4 30688 B13R1.3420 C=C(F)CSc1cc(cc(c1)Cl)C 62a_100010172791_100000042424 [0,3,0,0,0,0|0,1,0]=4 30689 B13R1.3420 C=C(F)CSc1cc(cc(c1)Cl)Cl 62a_100000042424_100000747138 [0,3,0,0,0,0|0,1,0]=4 30690 B13R1.3420 C=C(F)CSc1cc(cc(c1)Cl)Cl 62a_100000747138_100000042424 [0,3,0,0,0,0|0,1,0]=4 30691 B13R1.3420 C=C(F)CSc1cc(cc(c1)Cl)F 62a_100000042424_100013859453 [0,3,0,0,0,0|0,1,0]=4 30692 B13R1.3420 C=C(F)CSc1cc(cc(c1)Cl)F 62a_100013859453_100000042424 [0,3,0,0,0,0|0,1,0]=4 30693 B13R1.3420 C=C(F)CSc1cc(cc(c1)Cl)N 62a_100000042424_100010147676 [0,3,0,0,0,0|0,1,0]=4 30694 B13R1.3420 C=C(F)CSc1cc(cc(c1)Cl)N 62a_100010147676_100000042424 [0,3,0,0,0,0|0,1,0]=4 30695 B13R1.3420 C=C(F)CSc1cc(cc(c1)Cl)O 62a_100000042424_100010068924 [0,3,0,0,0,0|0,1,0]=4 30696 B13R1.3420 C=C(F)CSc1cc(cc(c1)Cl)O 62a_100010068924_100000042424 [0,3,0,0,0,0|0,1,0]=4 30697 B13R1.3420 C=C(F)CSc1cc(cc(c1)F)C 62a_100000042424_100011356977 [0,3,0,0,0,0|0,1,0]=4 30698 B13R1.3420 C=C(F)CSc1cc(cc(c1)F)C 62a_100011356977_100000042424 [0,3,0,0,0,0|0,1,0]=4 30699 B13R1.3420 C=C(F)CSc1cc(cc(c1)F)F 62a_100000042424_100000233788 [0,3,0,0,0,0|0,1,0]=4 30700 B13R1.3420 C=C(F)CSc1cc(cc(c1)F)F 62a_100000233788_100000042424 [0,3,0,0,0,0|0,1,0]=4 30701 B13R1.3420 C=C(F)CSc1cc(cc(c1)F)N 62a_100000042424_100011356972 [0,3,0,0,0,0|0,1,0]=4 30702 B13R1.3420 C=C(F)CSc1cc(cc(c1)F)N 62a_100011356972_100000042424 [0,3,0,0,0,0|0,1,0]=4 30703 B13R1.3420 C=C(F)CSc1cc(cc(c1)F)O 62a_100000042424_100000688818 [0,3,0,0,0,0|0,1,0]=4 30704 B13R1.3420 C=C(F)CSc1cc(cc(c1)F)O 62a_100000688818_100000042424 [0,3,0,0,0,0|0,1,0]=4 30705 B13R1.3420 C=C(F)CSc1cc(cc(c1)N)C 62a_100000042424_100000695972 [0,3,0,0,0,0|0,1,0]=4 30706 B13R1.3420 C=C(F)CSc1cc(cc(c1)N)C 62a_100000695972_100000042424 [0,3,0,0,0,0|0,1,0]=4 30707 B13R1.3420 C=C(F)CSc1cc(cc(c1)N)N 62a_100000042424_100011999608 [0,3,0,0,0,0|0,1,0]=4 30708 B13R1.3420 C=C(F)CSc1cc(cc(c1)N)N 62a_100011999608_100000042424 [0,3,0,0,0,0|0,1,0]=4 30709 B13R1.3420 C=C(F)CSc1cc(cc(c1)O)C 62a_100000042424_100011999630 [0,3,0,0,0,0|0,1,0]=4 30710 B13R1.3420 C=C(F)CSc1cc(cc(c1)O)O 62a_100000042424_100009868816 [0,3,0,0,0,0|0,1,0]=4 30711 B13R1.3420 CC(=O)COc1cc(cc(c1)Br)Cl 1458a_100010899942_200000210301 [0,3,0,0,0,0|0,0,1]=4 30712 B13R1.3420 CC(=O)COc1cc(cc(c1)C)C 1458a_100000182991_200000210301 [0,3,0,0,0,0|0,0,1]=4 30713 B13R1.3420 CC(=O)COc1cc(cc(c1)Cl)Cl 1458a_100000764634_200000210301 [0,3,0,0,0,0|0,0,1]=4 30714 B13R1.3420 Cc1cc(cc(c1)OCC(=O)N)Br 34a_100011999630_100000187820 [0,3,0,0,0,0|1,0,0]=4 30715 B13R1.3420 Cc1cc(cc(c1)OCC(=O)N)Br 7a_100011999630_100000187820 [0,3,0,0,0,0|1,0,0]=4 30716 B13R1.3420 Cc1cc(cc(c1)OCC(=O)N)C 34a_100000210933_100000187820 [0,3,0,0,0,0|1,0,0]=4 30717 B13R1.3420 Cc1cc(cc(c1)OCC(=O)N)C 7a_100000210933_100000187820 [0,3,0,0,0,0|1,0,0]=4 30718 B13R1.3420 Cc1cc(cc(c1)OCC(=O)N)Cl 34a_100000087485_100000187820 [0,3,0,0,0,0|1,0,0]=4 30719 B13R1.3420 Cc1cc(cc(c1)OCC(=O)N)Cl 7a_100000087485_100000187820 [0,3,0,0,0,0|1,0,0]=4 30720 B13R1.3420 Cc1cc(cc(c1)OCC(=O)N)F 34a_100011830401_100000187820 [0,3,0,0,0,0|1,0,0]=4 30721 B13R1.3420 Cc1cc(cc(c1)OCC(=O)N)F 7a_100011830401_100000187820 [0,3,0,0,0,0|1,0,0]=4 30722 B13R1.3420 Cc1cc(cc(c1)OCC(=O)N)N 34a_100011995906_100000187820 [0,3,0,0,0,0|1,0,0]=4 30723 B13R1.3420 Cc1cc(cc(c1)OCC(=O)N)N 7a_100011995906_100000187820 [0,3,0,0,0,0|1,0,0]=4 30724 B13R1.3420 Cc1cc(cc(c1)OCC(=O)[13CH3])C 1458a_100000182991_200025704644 [0,3,0,0,0,0|0,0,1]=4 30725 B13R1.3420 Cc1cc(cc(c1)OCC(=O)[O-])Br 34a_100011999630_100020667443 [0,3,0,0,0,0|1,0,0]=4 30726 B13R1.3420 Cc1cc(cc(c1)OCC(=O)[O-])C 34a_100000210933_100020667443 [0,3,0,0,0,0|1,0,0]=4 30727 B13R1.3420 Cc1cc(cc(c1)OCC(=O)[O-])Cl 34a_100000087485_100020667443 [0,3,0,0,0,0|1,0,0]=4 30728 B13R1.3420 Cc1cc(cc(c1)OCC(=O)[O-])F 34a_100011830401_100020667443 [0,3,0,0,0,0|1,0,0]=4 30729 B13R1.3420 Cc1cc(cc(c1)OCC(=O)[O-])N 34a_100011995906_100020667443 [0,3,0,0,0,0|1,0,0]=4 30730 B13R1.3420 NC(=O)COc1cc(cc(c1)Br)Br 34a_100010167048_100000187820 [0,3,0,0,0,0|1,0,0]=4 30731 B13R1.3420 NC(=O)COc1cc(cc(c1)Br)Br 7a_100010167048_100000187820 [0,3,0,0,0,0|1,0,0]=4 30732 B13R1.3420 NC(=O)COc1cc(cc(c1)Br)Cl 34a_100010185897_100000187820 [0,3,0,0,0,0|1,0,0]=4 30733 B13R1.3420 NC(=O)COc1cc(cc(c1)Br)Cl 7a_100010185897_100000187820 [0,3,0,0,0,0|1,0,0]=4 30734 B13R1.3420 NC(=O)COc1cc(cc(c1)Br)F 34a_100000688818_100000187820 [0,3,0,0,0,0|1,0,0]=4 30735 B13R1.3420 NC(=O)COc1cc(cc(c1)Br)F 7a_100000688818_100000187820 [0,3,0,0,0,0|1,0,0]=4 30736 B13R1.3420 NC(=O)COc1cc(cc(c1)Cl)Cl 34a_100000181315_100000187820 [0,3,0,0,0,0|1,0,0]=4 30737 B13R1.3420 NC(=O)COc1cc(cc(c1)Cl)Cl 7a_100000181315_100000187820 [0,3,0,0,0,0|1,0,0]=4 30738 B13R1.3420 NC(=O)COc1cc(cc(c1)Cl)F 34a_100011219751_100000187820 [0,3,0,0,0,0|1,0,0]=4 30739 B13R1.3420 NC(=O)COc1cc(cc(c1)Cl)F 7a_100011219751_100000187820 [0,3,0,0,0,0|1,0,0]=4 30740 B13R1.3420 NC(=O)COc1cc(cc(c1)Cl)N 34a_100000123917_100000187820 [0,3,0,0,0,0|1,0,0]=4 30741 B13R1.3420 NC(=O)COc1cc(cc(c1)Cl)N 7a_100000123917_100000187820 [0,3,0,0,0,0|1,0,0]=4 30742 B13R1.3420 NC(=O)COc1cc(cc(c1)F)F 34a_100000747503_100000187820 [0,3,0,0,0,0|1,0,0]=4 30743 B13R1.3420 NC(=O)COc1cc(cc(c1)F)F 7a_100000747503_100000187820 [0,3,0,0,0,0|1,0,0]=4 30744 B13R1.3420 NC(=O)COc1cc(cc(c1)I)Br 34a_100010068917_100000187820 [0,3,0,0,0,0|1,0,0]=4 30745 B13R1.3420 NC(=O)COc1cc(cc(c1)I)Br 7a_100010068917_100000187820 [0,3,0,0,0,0|1,0,0]=4 30746 B13R1.3420 NC(=O)COc1cc(cc(c1)I)Cl 34a_100010068924_100000187820 [0,3,0,0,0,0|1,0,0]=4 30747 B13R1.3420 NC(=O)COc1cc(cc(c1)I)Cl 7a_100010068924_100000187820 [0,3,0,0,0,0|1,0,0]=4 30748 B13R1.3420 NC(=O)COc1cc(cc(c1)I)F 34a_100000717995_100000187820 [0,3,0,0,0,0|1,0,0]=4 30749 B13R1.3420 NC(=O)COc1cc(cc(c1)I)F 7a_100000717995_100000187820 [0,3,0,0,0,0|1,0,0]=4 30750 B13R1.3420 Nc1cc(cc(c1)OCC(=O)[O-])Cl 34a_100000123917_100020667443 [0,3,0,0,0,0|1,0,0]=4 30751 B13R1.3420 O=C([O-])COc1cc(cc(c1)Br)Br 34a_100010167048_100020667443 [0,3,0,0,0,0|1,0,0]=4 30752 B13R1.3420 O=C([O-])COc1cc(cc(c1)Br)Cl 34a_100010185897_100020667443 [0,3,0,0,0,0|1,0,0]=4 30753 B13R1.3420 O=C([O-])COc1cc(cc(c1)Br)F 34a_100000688818_100020667443 [0,3,0,0,0,0|1,0,0]=4 30754 B13R1.3420 O=C([O-])COc1cc(cc(c1)Cl)Cl 34a_100000181315_100020667443 [0,3,0,0,0,0|1,0,0]=4 30755 B13R1.3420 O=C([O-])COc1cc(cc(c1)Cl)F 34a_100011219751_100020667443 [0,3,0,0,0,0|1,0,0]=4 30756 B13R1.3420 O=C([O-])COc1cc(cc(c1)F)F 34a_100000747503_100020667443 [0,3,0,0,0,0|1,0,0]=4 30757 B13R1.3420 O=C([O-])COc1cc(cc(c1)I)Br 34a_100010068917_100020667443 [0,3,0,0,0,0|1,0,0]=4 30758 B13R1.3420 O=C([O-])COc1cc(cc(c1)I)Cl 34a_100010068924_100020667443 [0,3,0,0,0,0|1,0,0]=4 30759 B13R1.3420 O=C([O-])COc1cc(cc(c1)I)F 34a_100000717995_100020667443 [0,3,0,0,0,0|1,0,0]=4 30760 B13R1.3420 [13CH3]C(=O)COc1cc(cc(c1)Br)Cl 1458a_100010899942_200025704644 [0,3,0,0,0,0|0,0,1]=4 30761 B13R1.3420 [13CH3]C(=O)COc1cc(cc(c1)Cl)Cl 1458a_100000764634_200025704644 [0,3,0,0,0,0|0,0,1]=4 30762 B13R1.643 C#Cc1cccc(c1)NCC(=C)C 2230a_100000735509_100000748629 [0,3,0,0,0,0|1,0,0]=4 30763 B13R1.643 C#Cc1cccc(c1)NCC(=C)C 34a_100000735509_100000748629 [0,3,0,0,0,0|1,0,0]=4 30764 B13R1.643 C#Cc1cccc(c1)NCC(=C)F 2230a_100000735509_100009893438 [0,3,0,0,0,0|1,0,0]=4 30765 B13R1.643 C#Cc1cccc(c1)NCC(=C)F 34a_100000735509_100009893438 [0,3,0,0,0,0|1,0,0]=4 30766 B13R1.643 C#Cc1cccc(c1)OCC(=C)C 34a_100011216014_100000748629 [0,3,0,0,0,0|0,0,0]=3 30767 B13R1.643 C#Cc1cccc(c1)OCC(=C)C 7a_100011216014_100000748629 [0,3,0,0,0,0|0,0,0]=3 30768 B13R1.643 C#Cc1cccc(c1)OCC(=C)F 34a_100011216014_100009893438 [0,3,0,0,0,0|0,0,0]=3 30769 B13R1.643 C#Cc1cccc(c1)OCC(=C)F 7a_100011216014_100000042424 [0,3,0,0,0,0|0,0,0]=3 30770 B13R1.643 C#Cc1cccc(c1)OCC(=O)N 34a_100011216014_100000187820 [0,3,0,0,0,0|1,0,0]=4 30771 B13R1.643 C#Cc1cccc(c1)OCC(=O)N 7a_100011216014_100000187820 [0,3,0,0,0,0|1,0,0]=4 30772 B13R1.643 C#Cc1cccc(c1)OCC(=O)[O-] 34a_100011216014_100020667443 [0,3,0,0,0,0|1,0,0]=4 30773 B13R1.643 C=C(C)CNc1cccc(c1)C#N 34a_100000210922_100000748629 [0,3,0,0,0,0|1,0,0]=4 30774 B13R1.643 C=C(C)CNc1cccc(c1)C#N 7a_100000210922_100000748629 [0,3,0,0,0,0|1,0,0]=4 30775 B13R1.643 C=C(C)CNc1cccc(c1)CC 2230a_100000211250_100000748629 [0,3,0,0,0,0|1,0,0]=4 30776 B13R1.643 C=C(C)CNc1cccc(c1)CC 34a_100000211250_100000748629 [0,3,0,0,0,0|1,0,0]=4 30777 B13R1.643 C=C(C)CNc1cccc(c1)CC 7a_100000211250_100000748629 [0,3,0,0,0,0|1,0,0]=4 30778 B13R1.643 C=C(C)CNc1cccc(c1)CF 2230a_100000126320_100000748629 [0,3,0,0,0,0|1,0,0]=4 30779 B13R1.643 C=C(C)CNc1cccc(c1)CF 34a_100000126320_100000748629 [0,3,0,0,0,0|1,0,0]=4 30780 B13R1.643 C=C(C)CNc1cccc(c1)CF 7a_100000126320_100000748629 [0,3,0,0,0,0|1,0,0]=4 30781 B13R1.643 C=C(C)CNc1cccc(c1)CO 2230a_100000211919_100000748629 [0,3,0,0,0,0|1,0,0]=4 30782 B13R1.643 C=C(C)CNc1cccc(c1)CO 34a_100000211919_100000748629 [0,3,0,0,0,0|1,0,0]=4 30783 B13R1.643 C=C(C)CNc1cccc(c1)OC 34a_100000210024_100000748629 [0,3,0,0,0,0|1,0,0]=4 30784 B13R1.643 C=C(C)CNc1cccc(c1)SC 2230a_100000210049_100000748629 [0,3,0,0,0,0|1,0,0]=4 30785 B13R1.643 C=C(C)CNc1cccc(c1)SC 34a_100000210049_100000748629 [0,3,0,0,0,0|1,0,0]=4 30786 B13R1.643 C=C(C)COc1cc(ccn1)CN 34a_100000748557_100000748629 [0,3,0,0,0,0|1,0,0]=4 30787 B13R1.643 C=C(C)COc1ccc[n+](c1)CC 34a_100000731997_100000748629 [0,3,0,0,0,0|1,0,0]=4 30788 B13R1.643 C=C(C)COc1ccc[n+](c1)CC 7a_100000731997_100000748629 [0,3,0,0,0,0|1,0,0]=4 30789 B13R1.643 C=C(C)COc1cccc(c1)C#N 34a_100000184713_100000748629 [0,3,0,0,0,0|0,0,0]=3 30790 B13R1.643 C=C(C)COc1cccc(c1)C#N 7a_100000184713_100000748629 [0,3,0,0,0,0|0,0,0]=3 30791 B13R1.643 C=C(C)COc1cccc(c1)CBr 34a_100011660834_100000748629 [0,3,0,0,0,0|0,0,0]=3 30792 B13R1.643 C=C(C)COc1cccc(c1)CBr 7a_100011660834_100000748629 [0,3,0,0,0,0|0,0,0]=3 30793 B13R1.643 C=C(C)COc1cccc(c1)CC 34a_100000211550_100000748629 [0,3,0,0,0,0|0,0,0]=3 30794 B13R1.643 C=C(C)COc1cccc(c1)CC 7a_100000211550_100000748629 [0,3,0,0,0,0|0,0,0]=3 30795 B13R1.643 C=C(C)COc1cccc(c1)CCl 34a_100000084143_100000748629 [0,3,0,0,0,0|0,0,0]=3 30796 B13R1.643 C=C(C)COc1cccc(c1)CCl 7a_100000084143_100000748629 [0,3,0,0,0,0|0,0,0]=3 30797 B13R1.643 C=C(C)COc1cccc(c1)CN 34a_100000743036_100000748629 [0,3,0,0,0,0|0,0,0]=3 30798 B13R1.643 C=C(C)COc1cccc(c1)CO 34a_100011214949_100000748629 [0,3,0,0,0,0|0,0,0]=3 30799 B13R1.643 C=C(C)COc1cccc(c1)CO 7a_100011214949_100000748629 [0,3,0,0,0,0|0,0,0]=3 30800 B13R1.643 C=C(C)COc1cccc(c1)NC 2230a_100000243820_200000210301 [0,3,0,0,0,0|0,0,0]=3 30801 B13R1.643 C=C(C)COc1cccc(c1)NC 34a_100000243820_200000210301 [0,3,0,0,0,0|0,0,0]=3 30802 B13R1.643 C=C(C)COc1cccc(c1)NC 34a_100000756613_100000748629 [0,3,0,0,0,0|0,0,0]=3 30803 B13R1.643 C=C(C)COc1cccc(c1)NC 7a_100000243820_200000210301 [0,3,0,0,0,0|0,0,0]=3 30804 B13R1.643 C=C(C)COc1cccc(c1)NC 7a_100000756613_100000748629 [0,3,0,0,0,0|0,0,0]=3 30805 B13R1.643 C=C(C)COc1cccc(c1)N[13CH3] 2230a_100000243820_200025704644 [0,3,0,0,0,0|0,0,0]=3 30806 B13R1.643 C=C(C)COc1cccc(c1)N[13CH3] 34a_100000243820_200025704644 [0,3,0,0,0,0|0,0,0]=3 30807 B13R1.643 C=C(C)COc1cccc(c1)N[13CH3] 7a_100000243820_200025704644 [0,3,0,0,0,0|0,0,0]=3 30808 B13R1.643 C=C(C)COc1cccc(c1)OC 34a_100000211255_100000748629 [0,3,0,0,0,0|0,0,0]=3 30809 B13R1.643 C=C(C)COc1cccc(c1)OC 7a_100000211255_100000748629 [0,3,0,0,0,0|0,0,0]=3 30810 B13R1.643 C=C(C)COc1cccc(c1)SC 34a_100011265683_100000748629 [0,3,0,0,0,0|0,0,0]=3 30811 B13R1.643 C=C(C)COc1cccc(c1)SC 7a_100011265683_100000748629 [0,3,0,0,0,0|0,0,0]=3 30812 B13R1.643 C=C(C)COc1ccnc(c1)C#N 34a_100011777083_100000748629 [0,3,0,0,0,0|1,0,0]=4 30813 B13R1.643 C=C(C)COc1ccnc(c1)C#N 7a_100011777083_100000748629 [0,3,0,0,0,0|1,0,0]=4 30814 B13R1.643 C=C(C)COc1ccnc(c1)OC 34a_100012181050_100000748629 [0,3,0,0,0,0|1,0,0]=4 30815 B13R1.643 C=C(C)COc1cncc(c1)C#N 34a_100012002025_100000748629 [0,3,0,0,0,0|1,0,0]=4 30816 B13R1.643 C=C(C)COc1cncc(c1)C#N 7a_100012002025_100000748629 [0,3,0,0,0,0|1,0,0]=4 30817 B13R1.643 C=C(C)COc1cncc(c1)CC 34a_200009861530_100000748629 [0,3,0,0,0,0|1,0,0]=4 30818 B13R1.643 C=C(C)COc1cncc(c1)CC 7a_200009861530_100000748629 [0,3,0,0,0,0|1,0,0]=4 30819 B13R1.643 C=C(C)COc1cncc(c1)OC 34a_100000084572_100000748629 [0,3,0,0,0,0|1,0,0]=4 30820 B13R1.643 C=C(C)COc1cncc(c1)OC 7a_100000084572_100000748629 [0,3,0,0,0,0|1,0,0]=4 30821 B13R1.643 C=C(C)CSc1cccc(c1)C#N 62a_100000748629_100000189340 [0,3,0,0,0,0|0,1,0]=4 30822 B13R1.643 C=C(C)CSc1cccc(c1)C=O 62a_100000014684_100000211660 [0,3,0,0,0,0|0,1,0]=4 30823 B13R1.643 C=C(C)CSc1cccc(c1)C=O 62a_100000748629_100000014684 [0,3,0,0,0,0|0,1,0]=4 30824 B13R1.643 C=C(C)CSc1cccc(c1)CC 62a_100000748629_100011263222 [0,3,0,0,0,0|0,1,0]=4 30825 B13R1.643 C=C(C)CSc1cccc(c1)CC 62a_100011263222_100000211660 [0,3,0,0,0,0|0,1,0]=4 30826 B13R1.643 C=C(C)CSc1cccc(c1)CF 62a_100000748629_100010878472 [0,3,0,0,0,0|0,1,0]=4 30827 B13R1.643 C=C(C)CSc1cccc(c1)CF 62a_100010878472_100000211660 [0,3,0,0,0,0|0,1,0]=4 30828 B13R1.643 C=C(C)CSc1cccc(c1)CN 62a_100000106179_100000211660 [0,3,0,0,0,0|0,1,0]=4 30829 B13R1.643 C=C(C)CSc1cccc(c1)CN 62a_100000748629_100000106179 [0,3,0,0,0,0|0,1,0]=4 30830 B13R1.643 C=C(C)CSc1cccc(c1)CO 62a_100000687537_100000211660 [0,3,0,0,0,0|0,1,0]=4 30831 B13R1.643 C=C(C)CSc1cccc(c1)CO 62a_100000748629_100000687537 [0,3,0,0,0,0|0,1,0]=4 30832 B13R1.643 C=C(C)CSc1cccc(c1)NC 62a_100000219648_100000211660 [0,3,0,0,0,0|0,1,0]=4 30833 B13R1.643 C=C(C)CSc1cccc(c1)NC 62a_100000748629_100000219648 [0,3,0,0,0,0|0,1,0]=4 30834 B13R1.643 C=C(C)CSc1cccc(c1)NN 62a_100000217339_100000211660 [0,3,0,0,0,0|0,1,0]=4 30835 B13R1.643 C=C(C)CSc1cccc(c1)NN 62a_100000748629_100000217339 [0,3,0,0,0,0|0,1,0]=4 30836 B13R1.643 C=C(C)CSc1cccc(c1)OC 62a_100000748629_100000170001 [0,3,0,0,0,0|0,1,0]=4 30837 B13R1.643 C=C(C)CSc1cccc(c1)SC 62a_100000748629_100011215954 [0,3,0,0,0,0|0,1,0]=4 30838 B13R1.643 C=C(C)CSc1cccc(c1)SC 62a_100011215954_100000211660 [0,3,0,0,0,0|0,1,0]=4 30839 B13R1.643 C=C(F)CNc1cccc(c1)C#N 34a_100000210922_100009893438 [0,3,0,0,0,0|1,0,0]=4 30840 B13R1.643 C=C(F)CNc1cccc(c1)C#N 7a_100000210922_100000042424 [0,3,0,0,0,0|1,0,0]=4 30841 B13R1.643 C=C(F)CNc1cccc(c1)CC 2230a_100000211250_100009893438 [0,3,0,0,0,0|1,0,0]=4 30842 B13R1.643 C=C(F)CNc1cccc(c1)CC 34a_100000211250_100009893438 [0,3,0,0,0,0|1,0,0]=4 30843 B13R1.643 C=C(F)CNc1cccc(c1)CC 7a_100000211250_100000042424 [0,3,0,0,0,0|1,0,0]=4 30844 B13R1.643 C=C(F)CNc1cccc(c1)CF 2230a_100000126320_100009893438 [0,3,0,0,0,0|1,0,0]=4 30845 B13R1.643 C=C(F)CNc1cccc(c1)CF 34a_100000126320_100009893438 [0,3,0,0,0,0|1,0,0]=4 30846 B13R1.643 C=C(F)CNc1cccc(c1)CF 7a_100000126320_100000042424 [0,3,0,0,0,0|1,0,0]=4 30847 B13R1.643 C=C(F)CNc1cccc(c1)CO 2230a_100000211919_100009893438 [0,3,0,0,0,0|1,0,0]=4 30848 B13R1.643 C=C(F)CNc1cccc(c1)CO 34a_100000211919_100009893438 [0,3,0,0,0,0|1,0,0]=4 30849 B13R1.643 C=C(F)CNc1cccc(c1)OC 34a_100000210024_100009893438 [0,3,0,0,0,0|1,0,0]=4 30850 B13R1.643 C=C(F)CNc1cccc(c1)SC 2230a_100000210049_100009893438 [0,3,0,0,0,0|1,0,0]=4 30851 B13R1.643 C=C(F)CNc1cccc(c1)SC 34a_100000210049_100009893438 [0,3,0,0,0,0|1,0,0]=4 30852 B13R1.643 C=C(F)COc1cc(ccn1)CN 34a_100000748557_100009893438 [0,3,0,0,0,0|1,0,0]=4 30853 B13R1.643 C=C(F)COc1ccc[n+](c1)CC 34a_100000731997_100009893438 [0,3,0,0,0,0|1,0,0]=4 30854 B13R1.643 C=C(F)COc1ccc[n+](c1)CC 7a_100000731997_100000042424 [0,3,0,0,0,0|1,0,0]=4 30855 B13R1.643 C=C(F)COc1cccc(c1)C#N 34a_100000184713_100009893438 [0,3,0,0,0,0|0,0,0]=3 30856 B13R1.643 C=C(F)COc1cccc(c1)C#N 7a_100000184713_100000042424 [0,3,0,0,0,0|0,0,0]=3 30857 B13R1.643 C=C(F)COc1cccc(c1)CBr 34a_100011660834_100009893438 [0,3,0,0,0,0|0,0,0]=3 30858 B13R1.643 C=C(F)COc1cccc(c1)CBr 7a_100011660834_100000042424 [0,3,0,0,0,0|0,0,0]=3 30859 B13R1.643 C=C(F)COc1cccc(c1)CC 34a_100000211550_100009893438 [0,3,0,0,0,0|0,0,0]=3 30860 B13R1.643 C=C(F)COc1cccc(c1)CC 7a_100000211550_100000042424 [0,3,0,0,0,0|0,0,0]=3 30861 B13R1.643 C=C(F)COc1cccc(c1)CCl 34a_100000084143_100009893438 [0,3,0,0,0,0|0,0,0]=3 30862 B13R1.643 C=C(F)COc1cccc(c1)CCl 7a_100000084143_100000042424 [0,3,0,0,0,0|0,0,0]=3 30863 B13R1.643 C=C(F)COc1cccc(c1)CN 34a_100000743036_100009893438 [0,3,0,0,0,0|0,0,0]=3 30864 B13R1.643 C=C(F)COc1cccc(c1)CO 34a_100011214949_100009893438 [0,3,0,0,0,0|0,0,0]=3 30865 B13R1.643 C=C(F)COc1cccc(c1)CO 7a_100011214949_100000042424 [0,3,0,0,0,0|0,0,0]=3 30866 B13R1.643 C=C(F)COc1cccc(c1)NC 34a_100000756613_100009893438 [0,3,0,0,0,0|0,0,0]=3 30867 B13R1.643 C=C(F)COc1cccc(c1)NC 7a_100000756613_100000042424 [0,3,0,0,0,0|0,0,0]=3 30868 B13R1.643 C=C(F)COc1cccc(c1)OC 34a_100000211255_100009893438 [0,3,0,0,0,0|0,0,0]=3 30869 B13R1.643 C=C(F)COc1cccc(c1)OC 7a_100000211255_100000042424 [0,3,0,0,0,0|0,0,0]=3 30870 B13R1.643 C=C(F)COc1cccc(c1)SC 34a_100011265683_100009893438 [0,3,0,0,0,0|0,0,0]=3 30871 B13R1.643 C=C(F)COc1cccc(c1)SC 7a_100011265683_100000042424 [0,3,0,0,0,0|0,0,0]=3 30872 B13R1.643 C=C(F)COc1ccnc(c1)C#N 34a_100011777083_100009893438 [0,3,0,0,0,0|1,0,0]=4 30873 B13R1.643 C=C(F)COc1ccnc(c1)C#N 7a_100011777083_100000042424 [0,3,0,0,0,0|1,0,0]=4 30874 B13R1.643 C=C(F)COc1ccnc(c1)OC 34a_100012181050_100009893438 [0,3,0,0,0,0|1,0,0]=4 30875 B13R1.643 C=C(F)COc1cncc(c1)C#N 34a_100012002025_100009893438 [0,3,0,0,0,0|1,0,0]=4 30876 B13R1.643 C=C(F)COc1cncc(c1)C#N 7a_100012002025_100000042424 [0,3,0,0,0,0|1,0,0]=4 30877 B13R1.643 C=C(F)COc1cncc(c1)CC 34a_200009861530_100009893438 [0,3,0,0,0,0|1,0,0]=4 30878 B13R1.643 C=C(F)COc1cncc(c1)CC 7a_200009861530_100000042424 [0,3,0,0,0,0|1,0,0]=4 30879 B13R1.643 C=C(F)COc1cncc(c1)OC 34a_100000084572_100009893438 [0,3,0,0,0,0|1,0,0]=4 30880 B13R1.643 C=C(F)COc1cncc(c1)OC 7a_100000084572_100000042424 [0,3,0,0,0,0|1,0,0]=4 30881 B13R1.643 C=C(F)CSc1cccc(c1)C#N 62a_100000042424_100000189340 [0,3,0,0,0,0|0,1,0]=4 30882 B13R1.643 C=C(F)CSc1cccc(c1)C=O 62a_100000014684_100000042424 [0,3,0,0,0,0|0,1,0]=4 30883 B13R1.643 C=C(F)CSc1cccc(c1)C=O 62a_100000042424_100000014684 [0,3,0,0,0,0|0,1,0]=4 30884 B13R1.643 C=C(F)CSc1cccc(c1)CC 62a_100000042424_100011263222 [0,3,0,0,0,0|0,1,0]=4 30885 B13R1.643 C=C(F)CSc1cccc(c1)CC 62a_100011263222_100000042424 [0,3,0,0,0,0|0,1,0]=4 30886 B13R1.643 C=C(F)CSc1cccc(c1)CF 62a_100000042424_100010878472 [0,3,0,0,0,0|0,1,0]=4 30887 B13R1.643 C=C(F)CSc1cccc(c1)CF 62a_100010878472_100000042424 [0,3,0,0,0,0|0,1,0]=4 30888 B13R1.643 C=C(F)CSc1cccc(c1)CN 62a_100000042424_100000106179 [0,3,0,0,0,0|0,1,0]=4 30889 B13R1.643 C=C(F)CSc1cccc(c1)CN 62a_100000106179_100000042424 [0,3,0,0,0,0|0,1,0]=4 30890 B13R1.643 C=C(F)CSc1cccc(c1)CO 62a_100000042424_100000687537 [0,3,0,0,0,0|0,1,0]=4 30891 B13R1.643 C=C(F)CSc1cccc(c1)CO 62a_100000687537_100000042424 [0,3,0,0,0,0|0,1,0]=4 30892 B13R1.643 C=C(F)CSc1cccc(c1)NC 62a_100000042424_100000219648 [0,3,0,0,0,0|0,1,0]=4 30893 B13R1.643 C=C(F)CSc1cccc(c1)NC 62a_100000219648_100000042424 [0,3,0,0,0,0|0,1,0]=4 30894 B13R1.643 C=C(F)CSc1cccc(c1)NN 62a_100000042424_100000217339 [0,3,0,0,0,0|0,1,0]=4 30895 B13R1.643 C=C(F)CSc1cccc(c1)NN 62a_100000217339_100000042424 [0,3,0,0,0,0|0,1,0]=4 30896 B13R1.643 C=C(F)CSc1cccc(c1)OC 62a_100000042424_100000170001 [0,3,0,0,0,0|0,1,0]=4 30897 B13R1.643 C=C(F)CSc1cccc(c1)SC 62a_100000042424_100011215954 [0,3,0,0,0,0|0,1,0]=4 30898 B13R1.643 C=C(F)CSc1cccc(c1)SC 62a_100011215954_100000042424 [0,3,0,0,0,0|0,1,0]=4 30899 B13R1.643 C=Cc1cccc(c1)NCC(=C)C 34a_100011827668_100000748629 [0,3,0,0,0,0|1,0,0]=4 30900 B13R1.643 C=Cc1cccc(c1)NCC(=C)F 34a_100011827668_100009893438 [0,3,0,0,0,0|1,0,0]=4 30901 B13R1.643 C=Cc1cccc(c1)OCC(=C)C 34a_100011309434_100000748629 [0,3,0,0,0,0|0,0,0]=3 30902 B13R1.643 C=Cc1cccc(c1)OCC(=C)C 7a_100011309434_100000748629 [0,3,0,0,0,0|0,0,0]=3 30903 B13R1.643 C=Cc1cccc(c1)OCC(=C)F 34a_100011309434_100009893438 [0,3,0,0,0,0|0,0,0]=3 30904 B13R1.643 C=Cc1cccc(c1)OCC(=C)F 7a_100011309434_100000042424 [0,3,0,0,0,0|0,0,0]=3 30905 B13R1.643 C=Cc1cccc(c1)OCC(=O)N 271570a_100011290941_200000150604 [0,3,0,0,0,0|1,0,0]=4 30906 B13R1.643 C=Cc1cccc(c1)OCC(=O)N 34a_100011309434_100000187820 [0,3,0,0,0,0|1,0,0]=4 30907 B13R1.643 C=Cc1cccc(c1)OCC(=O)N 7a_100011309434_100000187820 [0,3,0,0,0,0|1,0,0]=4 30908 B13R1.643 C=Cc1cccc(c1)OCC(=O)[O-] 34a_100011309434_100020667443 [0,3,0,0,0,0|1,0,0]=4 30909 B13R1.643 C=Cc1cccc(c1)SCC(=C)C 62a_100000748629_100011215241 [0,3,0,0,0,0|0,1,0]=4 30910 B13R1.643 C=Cc1cccc(c1)SCC(=C)C 62a_100011215241_100000211660 [0,3,0,0,0,0|0,1,0]=4 30911 B13R1.643 C=Cc1cccc(c1)SCC(=C)F 62a_100000042424_100011215241 [0,3,0,0,0,0|0,1,0]=4 30912 B13R1.643 C=Cc1cccc(c1)SCC(=C)F 62a_100011215241_100000042424 [0,3,0,0,0,0|0,1,0]=4 30913 B13R1.643 CC(=O)COc1cccc(c1)C#N 1458a_100000230692_200000210301 [0,3,0,0,0,0|0,0,1]=4 30914 B13R1.643 CCc1cccc(c1)OCC(=O)N 34a_100000211550_100000187820 [0,3,0,0,0,0|1,0,0]=4 30915 B13R1.643 CCc1cccc(c1)OCC(=O)N 7a_100000211550_100000187820 [0,3,0,0,0,0|1,0,0]=4 30916 B13R1.643 CCc1cccc(c1)OCC(=O)[O-] 34a_100000211550_100020667443 [0,3,0,0,0,0|1,0,0]=4 30917 B13R1.643 CNc1cccc(c1)OCC(=O)N 34a_100000756613_100000187820 [0,3,0,0,0,0|1,0,0]=4 30918 B13R1.643 CNc1cccc(c1)OCC(=O)N 7a_100000756613_100000187820 [0,3,0,0,0,0|1,0,0]=4 30919 B13R1.643 CNc1cccc(c1)OCC(=O)[O-] 34a_100000756613_100020667443 [0,3,0,0,0,0|1,0,0]=4 30920 B13R1.643 COc1cccc(c1)OCC(=O)C 1458a_100000182123_200000210301 [0,3,0,0,0,0|0,0,1]=4 30921 B13R1.643 COc1cccc(c1)OCC(=O)N 34a_100000211255_100000187820 [0,3,0,0,0,0|1,0,0]=4 30922 B13R1.643 COc1cccc(c1)OCC(=O)N 7a_100000211255_100000187820 [0,3,0,0,0,0|1,0,0]=4 30923 B13R1.643 COc1cccc(c1)OCC(=O)[13CH3] 1458a_100000182123_200025704644 [0,3,0,0,0,0|0,0,1]=4 30924 B13R1.643 COc1cccc(c1)OCC(=O)[O-] 34a_100000211255_100020667443 [0,3,0,0,0,0|1,0,0]=4 30925 B13R1.643 CSc1cccc(c1)OCC(=O)N 34a_100011265683_100000187820 [0,3,0,0,0,0|1,0,0]=4 30926 B13R1.643 CSc1cccc(c1)OCC(=O)N 62a_200000150604_200000210301 [0,3,0,0,0,0|1,0,0]=4 30927 B13R1.643 CSc1cccc(c1)OCC(=O)N 62a_200000210301_200000150604 [0,3,0,0,0,0|1,0,0]=4 30928 B13R1.643 CSc1cccc(c1)OCC(=O)N 7a_100011265683_100000187820 [0,3,0,0,0,0|1,0,0]=4 30929 B13R1.643 CSc1cccc(c1)OCC(=O)[O-] 34a_100011265683_100020667443 [0,3,0,0,0,0|1,0,0]=4 30930 B13R1.643 N#Cc1cccc(c1)OCC(=O)N 34a_100000184713_100000187820 [0,3,0,0,0,0|1,0,0]=4 30931 B13R1.643 N#Cc1cccc(c1)OCC(=O)N 7a_100000184713_100000187820 [0,3,0,0,0,0|1,0,0]=4 30932 B13R1.643 N#Cc1cccc(c1)OCC(=O)[O-] 34a_100000184713_100020667443 [0,3,0,0,0,0|1,0,0]=4 30933 B13R1.643 NC(=O)COc1cccc(c1)CBr 34a_100011660834_100000187820 [0,3,0,0,0,0|1,0,0]=4 30934 B13R1.643 NC(=O)COc1cccc(c1)CBr 7a_100011660834_100000187820 [0,3,0,0,0,0|1,0,0]=4 30935 B13R1.643 NC(=O)COc1cccc(c1)CCl 34a_100000084143_100000187820 [0,3,0,0,0,0|1,0,0]=4 30936 B13R1.643 NC(=O)COc1cccc(c1)CCl 7a_100000084143_100000187820 [0,3,0,0,0,0|1,0,0]=4 30937 B13R1.643 NC(=O)COc1cccc(c1)CO 34a_100011214949_100000187820 [0,3,0,0,0,0|1,0,0]=4 30938 B13R1.643 NC(=O)COc1cccc(c1)CO 7a_100011214949_100000187820 [0,3,0,0,0,0|1,0,0]=4 30939 B13R1.643 NCc1cccc(c1)OCC(=O)N 34a_100000743036_100000187820 [0,3,0,0,0,0|1,0,0]=4 30940 B13R1.643 NCc1cccc(c1)OCC(=O)[O-] 34a_100000743036_100020667443 [0,3,0,0,0,0|1,0,0]=4 30941 B13R1.643 O=C([O-])COc1cccc(c1)CBr 34a_100011660834_100020667443 [0,3,0,0,0,0|1,0,0]=4 30942 B13R1.643 O=C([O-])COc1cccc(c1)CCl 34a_100000084143_100020667443 [0,3,0,0,0,0|1,0,0]=4 30943 B13R1.643 O=C([O-])COc1cccc(c1)CO 34a_100011214949_100020667443 [0,3,0,0,0,0|1,0,0]=4 30944 B13R1.643 [13CH3]C(=O)COc1cccc(c1)C#N 1458a_100000230692_200025704644 [0,3,0,0,0,0|0,0,1]=4 30945 B13R1.643 [13CH3]Sc1cccc(c1)OCC(=O)N 62a_200000150604_200025704644 [0,3,0,0,0,0|1,0,0]=4 30946 B13R1.643 [13CH3]Sc1cccc(c1)OCC(=O)N 62a_200025704644_200000150604 [0,3,0,0,0,0|1,0,0]=4 30947 B13R1.567 C=CCNc1cccc(c1)CC#N 2230a_100000017804_100000210623 [0,3,0,0,0,0|1,0,0]=4 30948 B13R1.567 C=CCNc1cccc(c1)CC#N 34a_100000017804_100015514636 [0,3,0,0,0,0|1,0,0]=4 30949 B13R1.567 C=CCNc1cccc(c1)CCO 2230a_100011996697_100000210623 [0,3,0,0,0,0|1,0,0]=4 30950 B13R1.567 C=CCNc1cccc(c1)CCO 34a_100011996697_100015514636 [0,3,0,0,0,0|1,0,0]=4 30951 B13R1.567 C=CCNc1cccc(c1)COC 2230a_100000737370_100000210623 [0,3,0,0,0,0|1,0,0]=4 30952 B13R1.567 C=CCNc1cccc(c1)COC 34a_100000737370_100015514636 [0,3,0,0,0,0|1,0,0]=4 30953 B13R1.567 C=CCNc1cccc(c1)OCC 2230a_100000742568_100000210623 [0,3,0,0,0,0|1,0,0]=4 30954 B13R1.567 C=CCNc1cccc(c1)OCC 34a_100000742568_100015514636 [0,3,0,0,0,0|1,0,0]=4 30955 B13R1.567 C=CCOc1cccc(c1)CC#N 7a_100000696680_100015514636 [0,3,0,0,0,0|0,0,0]=3 30956 B13R1.567 C=CCOc1cccc(c1)CCC 34a_100000039106_100015514636 [0,3,0,0,0,0|0,0,0]=3 30957 B13R1.567 C=CCOc1cccc(c1)CCC 7a_100000039106_100015514636 [0,3,0,0,0,0|0,0,0]=3 30958 B13R1.567 C=CCOc1cccc(c1)CCN 34a_100000747277_100015514636 [0,3,0,0,0,0|0,0,0]=3 30959 B13R1.567 C=CCOc1cccc(c1)CCO 34a_100011215281_100015514636 [0,3,0,0,0,0|0,0,0]=3 30960 B13R1.567 C=CCOc1cccc(c1)CCO 7a_100011215281_100015514636 [0,3,0,0,0,0|0,0,0]=3 30961 B13R1.567 C=CCOc1cccc(c1)CNC 207a_100102657272_100000172103 [0,3,0,0,0,0|0,0,0]=3 30962 B13R1.567 C=CCOc1cccc(c1)CNC 270004a_106832991635_100000172103 [0,3,0,0,0,0|0,0,0]=3 30963 B13R1.567 C=CCOc1cccc(c1)CNC 34a_100000207540_100015514636 [0,3,0,0,0,0|0,0,0]=3 30964 B13R1.567 C=CCOc1cccc(c1)CNN 34a_100000008902_100015514636 [0,3,0,0,0,0|0,0,0]=3 30965 B13R1.567 C=CCOc1cccc(c1)NCC 34a_100000717746_100015514636 [0,3,0,0,0,0|0,0,0]=3 30966 B13R1.567 C=CCOc1cccc(c1)NCC 7a_100000717746_100015514636 [0,3,0,0,0,0|0,0,0]=3 30967 B13R1.567 C=CCOc1cccc(c1)OCC 34a_100011215941_100015514636 [0,3,0,0,0,0|0,0,0]=3 30968 B13R1.567 C=CCOc1cccc(c1)OCC 7a_100011215941_100015514636 [0,3,0,0,0,0|0,0,0]=3 30969 B13R1.567 C=CCSc1cccc(c1)C#CC 62a_100000210623_200009843338 [0,3,0,0,0,0|0,1,0]=4 30970 B13R1.567 C=CCSc1cccc(c1)CC#N 62a_100000034040_100000210623 [0,3,0,0,0,0|0,1,0]=4 30971 B13R1.567 C=CCSc1cccc(c1)CC#N 62a_100000210623_100000034040 [0,3,0,0,0,0|0,1,0]=4 30972 B13R1.567 C=CCSc1cccc(c1)CC=C 62a_100000210623_100009816576 [0,3,0,0,0,0|0,1,0]=4 30973 B13R1.567 C=CCSc1cccc(c1)CC=C 62a_100009816576_100000210623 [0,3,0,0,0,0|0,1,0]=4 30974 B13R1.567 C=CCSc1cccc(c1)CC=O 62a_100000210623_200000698211 [0,3,0,0,0,0|0,1,0]=4 30975 B13R1.567 C=CCSc1cccc(c1)CC=O 62a_200000698211_100000210623 [0,3,0,0,0,0|0,1,0]=4 30976 B13R1.567 C=CCSc1cccc(c1)CCC 62a_100000210623_100000694964 [0,3,0,0,0,0|0,1,0]=4 30977 B13R1.567 C=CCSc1cccc(c1)CCC 62a_100000694964_100000210623 [0,3,0,0,0,0|0,1,0]=4 30978 B13R1.567 C=CCSc1cccc(c1)CCN 62a_100000210623_100011207229 [0,3,0,0,0,0|0,1,0]=4 30979 B13R1.567 C=CCSc1cccc(c1)CCN 62a_100011207229_100000210623 [0,3,0,0,0,0|0,1,0]=4 30980 B13R1.567 C=CCSc1cccc(c1)CCO 62a_100000210623_100011217444 [0,3,0,0,0,0|0,1,0]=4 30981 B13R1.567 C=CCSc1cccc(c1)CCO 62a_100011217444_100000210623 [0,3,0,0,0,0|0,1,0]=4 30982 B13R1.567 C=CCSc1cccc(c1)CNC 62a_100000187585_100000210623 [0,3,0,0,0,0|0,1,0]=4 30983 B13R1.567 C=CCSc1cccc(c1)CNC 62a_100000210623_100000187585 [0,3,0,0,0,0|0,1,0]=4 30984 B13R1.567 C=CCSc1cccc(c1)CNN 62a_100000210623_100000686200 [0,3,0,0,0,0|0,1,0]=4 30985 B13R1.567 C=CCSc1cccc(c1)CNN 62a_100000686200_100000210623 [0,3,0,0,0,0|0,1,0]=4 30986 B13R1.567 C=CCSc1cccc(c1)COC 62a_100000210623_100011493687 [0,3,0,0,0,0|0,1,0]=4 30987 B13R1.567 C=CCSc1cccc(c1)COC 62a_100011493687_100000210623 [0,3,0,0,0,0|0,1,0]=4 30988 B13R1.567 C=CCSc1cccc(c1)N=[N+]=[N-] 62a_100000210623_100000735707 [0,3,0,0,0,0|0,1,0]=4 30989 B13R1.567 C=CCSc1cccc(c1)NC#N 62a_100000210623_100011685342 [0,3,0,0,0,0|0,1,0]=4 30990 B13R1.567 C=CCSc1cccc(c1)NCC 62a_100000210623_100000738899 [0,3,0,0,0,0|0,1,0]=4 30991 B13R1.567 C=CCSc1cccc(c1)OCC 62a_100000210623_100000170002 [0,3,0,0,0,0|0,1,0]=4 30992 B13R1.567 C=CCSc1cccc(c1)SCC 62a_100000210623_100000703699 [0,3,0,0,0,0|0,1,0]=4 30993 B13R1.567 C=CCSc1cccc(c1)SCC 62a_100000703699_100000210623 [0,3,0,0,0,0|0,1,0]=4 30994 B13R1.567 CCCc1cccc(c1)OCC=O 34a_100000039106_200009817547 [0,3,0,0,0,0|1,0,0]=4 30995 B13R1.567 CCCc1cccc(c1)OCC=O 7a_100000039106_200015260668 [0,3,0,0,0,0|1,0,0]=4 30996 B13R1.567 CCNc1cccc(c1)OCC=O 34a_100000717746_200009817547 [0,3,0,0,0,0|1,0,0]=4 30997 B13R1.567 CCNc1cccc(c1)OCC=O 7a_100000717746_200015260668 [0,3,0,0,0,0|1,0,0]=4 30998 B13R1.567 CCOc1cccc(c1)OCC=O 34a_100011215941_200009817547 [0,3,0,0,0,0|1,0,0]=4 30999 B13R1.567 CCOc1cccc(c1)OCC=O 7a_100011215941_200015260668 [0,3,0,0,0,0|1,0,0]=4 31000 B13R1.567 CNCc1cccc(c1)OCC=O 34a_100000207540_200009817547 [0,3,0,0,0,0|1,0,0]=4 31001 B13R1.567 N#CCc1cccc(c1)OCC=O 7a_100000696680_200015260668 [0,3,0,0,0,0|1,0,0]=4 31002 B13R1.567 NCCc1cccc(c1)OCC=O 34a_100000747277_200009817547 [0,3,0,0,0,0|1,0,0]=4 31003 B13R1.567 NNCc1cccc(c1)OCC=O 34a_100000008902_200009817547 [0,3,0,0,0,0|1,0,0]=4 31004 B13R1.567 O=CCOc1cccc(c1)CCO 34a_100011215281_200009817547 [0,3,0,0,0,0|1,0,0]=4 31005 B13R1.567 O=CCOc1cccc(c1)CCO 7a_100011215281_200015260668 [0,3,0,0,0,0|1,0,0]=4 31006 B13R1.568 C=CCNc1cccc(c1)C(=O)N 34a_100000217337_100015514636 [0,3,0,0,0,0|1,0,0]=4 31007 B13R1.568 C=CCNc1cccc(c1)C(C)C 2230a_100000211879_100000210623 [0,3,0,0,0,0|1,0,0]=4 31008 B13R1.568 C=CCNc1cccc(c1)C(C)C 34a_100000211879_100015514636 [0,3,0,0,0,0|1,0,0]=4 31009 B13R1.568 C=CCNc1cccc(c1)C(C)C 7a_100000211879_100015514636 [0,3,0,0,0,0|1,0,0]=4 31010 B13R1.568 C=CCNc1cccc(c1)C(C)O 2230a_100011217120_100000210623 [0,3,0,0,0,0|1,0,0]=4 31011 B13R1.568 C=CCNc1cccc(c1)C(C)O 34a_100011217120_100015514636 [0,3,0,0,0,0|1,0,0]=4 31012 B13R1.568 C=CCNc1cccc(c1)C(F)F 2230a_100000058342_100000210623 [0,3,0,0,0,0|1,0,0]=4 31013 B13R1.568 C=CCNc1cccc(c1)C(F)F 34a_100000058342_100015514636 [0,3,0,0,0,0|1,0,0]=4 31014 B13R1.568 C=CCNc1cccc(c1)C(F)F 7a_100000058342_100015514636 [0,3,0,0,0,0|1,0,0]=4 31015 B13R1.568 C=CCNc1cccc(c1)N(C)C 34a_100000209982_100015514636 [0,3,0,0,0,0|1,0,0]=4 31016 B13R1.568 C=CCNc1cccc(c1)[N+](=O)[O-] 34a_100000184103_100015514636 [0,3,0,0,0,0|1,0,0]=4 31017 B13R1.568 C=CCOc1cccc(c1)C(=O)C 1458a_200000217307_200000210301 [0,3,0,0,0,0|0,0,0]=3 31018 B13R1.568 C=CCOc1cccc(c1)C(=O)C 34a_100000211620_100015514636 [0,3,0,0,0,0|0,0,0]=3 31019 B13R1.568 C=CCOc1cccc(c1)C(=O)C 7a_100000211620_100015514636 [0,3,0,0,0,0|0,0,0]=3 31020 B13R1.568 C=CCOc1cccc(c1)C(=O)N 34a_100000162170_100015514636 [0,3,0,0,0,0|0,0,0]=3 31021 B13R1.568 C=CCOc1cccc(c1)C(=O)N 7a_100000162170_100015514636 [0,3,0,0,0,0|0,0,0]=3 31022 B13R1.568 C=CCOc1cccc(c1)C(=O)[13CH3] 1458a_200000217307_200025704644 [0,3,0,0,0,0|0,0,0]=3 31023 B13R1.568 C=CCOc1cccc(c1)C(=S)N 7a_100000738086_100015514636 [0,3,0,0,0,0|0,0,0]=3 31024 B13R1.568 C=CCOc1cccc(c1)C(C)C 34a_100000211816_100015514636 [0,3,0,0,0,0|0,0,0]=3 31025 B13R1.568 C=CCOc1cccc(c1)C(C)C 7a_100000211816_100015514636 [0,3,0,0,0,0|0,0,0]=3 31026 B13R1.568 C=CCOc1cccc(c1)C(C)N 34a_100000740644_100015514636 [0,3,0,0,0,0|0,0,0]=3 31027 B13R1.568 C=CCOc1cccc(c1)C(C)N 7a_100000740644_100015514636 [0,3,0,0,0,0|0,0,0]=3 31028 B13R1.568 C=CCOc1cccc(c1)C(C)O 34a_100000748013_100015514636 [0,3,0,0,0,0|0,0,0]=3 31029 B13R1.568 C=CCOc1cccc(c1)C(C)O 7a_100000748013_100015514636 [0,3,0,0,0,0|0,0,0]=3 31030 B13R1.568 C=CCOc1cccc(c1)N(C)C 34a_100000738785_100015514636 [0,3,0,0,0,0|0,0,0]=3 31031 B13R1.568 C=CCOc1cccc(c1)[N+](=O)[O-] 34a_100000185994_100015514636 [0,3,0,0,0,0|0,0,0]=3 31032 B13R1.568 C=CCOc1cccc(c1)[N+](=O)[O-] 7a_100000185994_100015514636 [0,3,0,0,0,0|0,0,0]=3 31033 B13R1.568 C=CCOc1cncc(c1)C(=O)N 7a_100000698036_100015514636 [0,3,0,0,0,0|1,0,0]=4 31034 B13R1.568 C=CCOc1cncc(c1)[N+](=O)[O-] 34a_100009862860_100015514636 [0,3,0,0,0,0|1,0,0]=4 31035 B13R1.568 C=CCOc1cncc(c1)[N+](=O)[O-] 7a_100009862860_100015514636 [0,3,0,0,0,0|1,0,0]=4 31036 B13R1.568 C=CCSc1cccc(c1)B(O)O 62a_100000210623_100000687717 [0,3,0,0,0,0|0,1,0]=4 31037 B13R1.568 C=CCSc1cccc(c1)B(O)O 62a_100000687717_100000210623 [0,3,0,0,0,0|0,1,0]=4 31038 B13R1.568 C=CCSc1cccc(c1)C(=C)C 62a_100000210623_100012123953 [0,3,0,0,0,0|0,1,0]=4 31039 B13R1.568 C=CCSc1cccc(c1)C(=C)C 62a_100012123953_100000210623 [0,3,0,0,0,0|0,1,0]=4 31040 B13R1.568 C=CCSc1cccc(c1)C(=O)C 62a_100000210093_100000210623 [0,3,0,0,0,0|0,1,0]=4 31041 B13R1.568 C=CCSc1cccc(c1)C(=O)C 62a_100000210623_100000210093 [0,3,0,0,0,0|0,1,0]=4 31042 B13R1.568 C=CCSc1cccc(c1)C(=O)N 62a_100000162208_100000210623 [0,3,0,0,0,0|0,1,0]=4 31043 B13R1.568 C=CCSc1cccc(c1)C(=O)N 62a_100000210623_100000162208 [0,3,0,0,0,0|0,1,0]=4 31044 B13R1.568 C=CCSc1cccc(c1)C(C)C 62a_100000210623_100011214899 [0,3,0,0,0,0|0,1,0]=4 31045 B13R1.568 C=CCSc1cccc(c1)C(C)C 62a_100011214899_100000210623 [0,3,0,0,0,0|0,1,0]=4 31046 B13R1.568 C=CCSc1cccc(c1)C(C)N 62a_100000210623_100020642005 [0,3,0,0,0,0|0,1,0]=4 31047 B13R1.568 C=CCSc1cccc(c1)C(C)N 62a_100020642005_100000210623 [0,3,0,0,0,0|0,1,0]=4 31048 B13R1.568 C=CCSc1cccc(c1)C(C)O 62a_100000210623_100000246457 [0,3,0,0,0,0|0,1,0]=4 31049 B13R1.568 C=CCSc1cccc(c1)C(C)O 62a_100000246457_100000210623 [0,3,0,0,0,0|0,1,0]=4 31050 B13R1.568 C=CCSc1cccc(c1)C(F)F 62a_100000210623_100009892619 [0,3,0,0,0,0|0,1,0]=4 31051 B13R1.568 C=CCSc1cccc(c1)C(F)F 62a_100009892619_100000210623 [0,3,0,0,0,0|0,1,0]=4 31052 B13R1.568 C=CCSc1cccc(c1)N(C)C 62a_100000210623_100011215952 [0,3,0,0,0,0|0,1,0]=4 31053 B13R1.568 C=CCSc1cccc(c1)N(C)C 62a_100011215952_100000210623 [0,3,0,0,0,0|0,1,0]=4 31054 B13R1.568 C=CCSc1cccc(c1)S(=O)C 62a_100000210623_100009816267 [0,3,0,0,0,0|0,1,0]=4 31055 B13R1.568 C=CCSc1cccc(c1)S(=O)C 62a_100009816267_100000210623 [0,3,0,0,0,0|0,1,0]=4 31056 B13R1.568 CC(=O)c1cccc(c1)OCC=O 34a_100000211620_200009817547 [0,3,0,0,0,0|1,0,0]=4 31057 B13R1.568 CC(=O)c1cccc(c1)OCC=O 7a_100000211620_200015260668 [0,3,0,0,0,0|1,0,0]=4 31058 B13R1.568 CC(C)c1cccc(c1)OCC=O 34a_100000211816_200009817547 [0,3,0,0,0,0|1,0,0]=4 31059 B13R1.568 CC(C)c1cccc(c1)OCC=O 7a_100000211816_200015260668 [0,3,0,0,0,0|1,0,0]=4 31060 B13R1.568 CC(N)c1cccc(c1)OCC=O 34a_100000740644_200009817547 [0,3,0,0,0,0|1,0,0]=4 31061 B13R1.568 CC(N)c1cccc(c1)OCC=O 7a_100000740644_200015260668 [0,3,0,0,0,0|1,0,0]=4 31062 B13R1.568 CC(O)c1cccc(c1)OCC=O 34a_100000748013_200009817547 [0,3,0,0,0,0|1,0,0]=4 31063 B13R1.568 CC(O)c1cccc(c1)OCC=O 7a_100000748013_200015260668 [0,3,0,0,0,0|1,0,0]=4 31064 B13R1.568 CN(C)c1cccc(c1)OCC=O 34a_100000738785_200009817547 [0,3,0,0,0,0|1,0,0]=4 31065 B13R1.568 NC(=O)c1cccc(c1)OCC=O 34a_100000162170_200009817547 [0,3,0,0,0,0|1,0,0]=4 31066 B13R1.568 NC(=O)c1cccc(c1)OCC=O 7a_100000162170_200015260668 [0,3,0,0,0,0|1,0,0]=4 31067 B13R1.568 NC(=S)c1cccc(c1)OCC=O 7a_100000738086_200015260668 [0,3,0,0,0,0|1,0,0]=4 31068 B13R1.568 O=CCOc1cccc(c1)[N+](=O)[O-] 34a_100000185994_200009817547 [0,3,0,0,0,0|1,0,0]=4 31069 B13R1.568 O=CCOc1cccc(c1)[N+](=O)[O-] 7a_100000185994_200015260668 [0,3,0,0,0,0|1,0,0]=4 31070 B13R1.28 C/C=C/CCOCc1ccccc1 34a_100016278192_100015291786 [0,3,0,0,0,0|0,0,0]=3 31071 B13R1.28 C/C=C/CCOCc1ccccn1 34a_100016278192_100000721315 [0,3,0,0,0,0|1,0,0]=4 31072 B13R1.28 C/C=C/CCOCc1cccnc1 34a_100016278192_100000733263 [0,3,0,0,0,0|1,0,0]=4 31073 B13R1.28 C/C=C/CNCCc1ccccc1 34a_100000106460_100102629194 [0,3,0,0,0,0|1,0,0]=4 31074 B13R1.28 C/C=C/COCCc1ccccc1 34a_100000210268_100102629194 [0,3,0,0,0,0|0,0,0]=3 31075 B13R1.28 C/C=C/COCCc1ccccc1 34a_100016270725_100000765856 [0,3,0,0,0,0|0,0,0]=3 31076 B13R1.28 C/C=C/COCCc1ccccc1 7a_100000210268_100102629194 [0,3,0,0,0,0|0,0,0]=3 31077 B13R1.28 C/C=C/COCCc1ccccn1 34a_100000210271_100102629194 [0,3,0,0,0,0|1,0,0]=4 31078 B13R1.28 C/C=C/COCCc1cccnc1 34a_100011217484_100102629194 [0,3,0,0,0,0|1,0,0]=4 31079 B13R1.28 C/C=C/COCCc1ccncc1 34a_100011216225_100102629194 [0,3,0,0,0,0|1,0,0]=4 31080 B13R1.28 C/C=C/CSCCc1ccccc1 62a_100000765856_100102629194 [0,3,0,0,0,0|0,1,0]=4 31081 B13R1.28 C/C=C/CSCCc1ccccc1 62a_100102629194_100011218657 [0,3,0,0,0,0|0,1,0]=4 31082 B13R1.28 C/C=C/CSCSc1ccccc1 62a_100011218342_100102629194 [0,3,0,0,0,0|0,1,0]=4 31083 B13R1.28 C/C=C/CSCSc1ccccc1 62a_100102629194_100011218342 [0,3,0,0,0,0|0,1,0]=4 31084 B13R1.28 C=CCCC=NNc1ccccc1 4a_100015195140_100011216789 [0,3,0,0,0,0|1,0,0]=4 31085 B13R1.28 C=CCCCCNc1ccccc1 34a_100000106764_100011215482 [0,3,0,0,0,0|1,0,0]=4 31086 B13R1.28 C=CCCCCOc1ccccc1 34a_100000210340_100011215482 [0,3,0,0,0,0|0,0,0]=3 31087 B13R1.28 C=CCCCCOc1ccccc1 7a_100000210340_100011215482 [0,3,0,0,0,0|0,0,0]=3 31088 B13R1.28 C=CCCCCOc1cccnc1 34a_100000210849_100011215482 [0,3,0,0,0,0|1,0,0]=4 31089 B13R1.28 C=CCCCCOc1cccnc1 7a_100000210849_100011215482 [0,3,0,0,0,0|1,0,0]=4 31090 B13R1.28 C=CCCCCOc1ccncc1 34a_100000212176_100011215482 [0,3,0,0,0,0|1,0,0]=4 31091 B13R1.28 C=CCCCCSc1ccccc1 62a_100000719477_100011215482 [0,3,0,0,0,0|0,1,0]=4 31092 B13R1.28 C=CCCCCSc1ccccc1 62a_100011215482_100000041952 [0,3,0,0,0,0|0,1,0]=4 31093 B13R1.28 C=CCCCNCc1ccccc1 2230a_100000700776_100015291786 [0,3,0,0,0,0|1,0,0]=4 31094 B13R1.28 C=CCCCNCc1ccccc1 2230a_100015324214_100011713584 [0,3,0,0,0,0|1,0,0]=4 31095 B13R1.28 C=CCCCNCc1ccccc1 270004a_100000700776_100015611070 [0,3,0,0,0,0|1,0,0]=4 31096 B13R1.28 C=CCCCNCc1ccccc1 34a_100000700776_100015291786 [0,3,0,0,0,0|1,0,0]=4 31097 B13R1.28 C=CCCCNCc1ccccc1 34a_100015324214_100000757094 [0,3,0,0,0,0|1,0,0]=4 31098 B13R1.28 C=CCCCOCc1ccccc1 34a_100000210790_100000757094 [0,3,0,0,0,0|0,0,0]=3 31099 B13R1.28 C=CCCCOCc1ccccc1 34a_100000758997_100015291786 [0,3,0,0,0,0|0,0,0]=3 31100 B13R1.28 C=CCCCOCc1ccccc1 7a_100000210790_100000757094 [0,3,0,0,0,0|0,0,0]=3 31101 B13R1.28 C=CCCCOCc1ccccc1 7a_100000758997_100000211182 [0,3,0,0,0,0|0,0,0]=3 31102 B13R1.28 C=CCCCOCc1ccccn1 34a_100000758997_100000721315 [0,3,0,0,0,0|1,0,0]=4 31103 B13R1.28 C=CCCCOCc1ccccn1 7a_100000758997_100000721315 [0,3,0,0,0,0|1,0,0]=4 31104 B13R1.28 C=CCCCOCc1cccnc1 34a_100000758997_100000733263 [0,3,0,0,0,0|1,0,0]=4 31105 B13R1.28 C=CCCCOCc1cccnc1 7a_100000758997_100000741622 [0,3,0,0,0,0|1,0,0]=4 31106 B13R1.28 C=CCCCOCc1ccncc1 7a_100000758997_100015193705 [0,3,0,0,0,0|1,0,0]=4 31107 B13R1.28 C=CCCCSCc1ccccc1 62a_100000211182_100000757094 [0,3,0,0,0,0|0,1,0]=4 31108 B13R1.28 C=CCCCSCc1ccccc1 62a_100011713584_100015291786 [0,3,0,0,0,0|0,1,0]=4 31109 B13R1.28 C=CCCNCCc1ccccc1 2230a_100000106460_100000754431 [0,3,0,0,0,0|1,0,0]=4 31110 B13R1.28 C=CCCNCCc1ccccc1 2230a_100015191253_100000765856 [0,3,0,0,0,0|1,0,0]=4 31111 B13R1.28 C=CCCNCCc1ccccc1 34a_100000106460_100000754431 [0,3,0,0,0,0|1,0,0]=4 31112 B13R1.28 C=CCCNCSc1ccccc1 2230a_100015191253_100011218342 [0,3,0,0,0,0|0,1,0]=4 31113 B13R1.28 C=CCCOCCc1ccccc1 34a_100000210268_100000754431 [0,3,0,0,0,0|0,0,0]=3 31114 B13R1.28 C=CCCOCCc1ccccc1 34a_100011205117_100000765856 [0,3,0,0,0,0|0,0,0]=3 31115 B13R1.28 C=CCCOCCc1ccccc1 7a_100000210268_100000754431 [0,3,0,0,0,0|0,0,0]=3 31116 B13R1.28 C=CCCOCCc1ccccn1 34a_100000210271_100000754431 [0,3,0,0,0,0|1,0,0]=4 31117 B13R1.28 C=CCCOCCc1cccnc1 34a_100011217484_100000754431 [0,3,0,0,0,0|1,0,0]=4 31118 B13R1.28 C=CCCOCCc1ccncc1 34a_100011216225_100000754431 [0,3,0,0,0,0|1,0,0]=4 31119 B13R1.28 C=CCCSCCc1ccccc1 62a_100000754431_100011218657 [0,3,0,0,0,0|0,1,0]=4 31120 B13R1.28 C=CCCSCCc1ccccc1 62a_100000765856_100000754431 [0,3,0,0,0,0|0,1,0]=4 31121 B13R1.28 C=CCCSCSc1ccccc1 62a_100000754431_100011218342 [0,3,0,0,0,0|0,1,0]=4 31122 B13R1.28 C=CCCSCSc1ccccc1 62a_100011218342_100000754431 [0,3,0,0,0,0|0,1,0]=4 31123 B13R1.28 C=CCNC/C=C/c1ccccc1 2230a_100020586998_100016265936 [0,3,0,0,0,0|1,0,0]=4 31124 B13R1.28 C=CCNC/C=C/c1ccccc1 2230a_100020603302_100000210623 [0,3,0,0,0,0|1,0,0]=4 31125 B13R1.28 C=CCNC/C=C/c1ccccc1 34a_100020603302_100015514636 [0,3,0,0,0,0|1,0,0]=4 31126 B13R1.28 C=CCNCC#Cc1ccccc1 2230a_100020586998_100011352542 [0,3,0,0,0,0|1,0,0]=4 31127 B13R1.28 C=CCNCC#Cc1ccccc1 34a_100000735379_100015514636 [0,3,0,0,0,0|1,0,0]=4 31128 B13R1.28 C=CCNCC=Cc1ccccc1 270004a_100020586998_100000210105 [0,3,0,0,0,0|1,0,0]=4 31129 B13R1.28 C=CCNCCCc1ccccc1 2230a_100000211184_100000210623 [0,3,0,0,0,0|1,0,0]=4 31130 B13R1.28 C=CCNCCCc1ccccc1 2230a_100020586998_100000211621 [0,3,0,0,0,0|1,0,0]=4 31131 B13R1.28 C=CCNCCCc1ccccc1 34a_100000211184_100015514636 [0,3,0,0,0,0|1,0,0]=4 31132 B13R1.28 C=CCNCCOc1ccccc1 2230a_100000174943_100000210623 [0,3,0,0,0,0|0,0,0]=3 31133 B13R1.28 C=CCNCCOc1ccccc1 2230a_100020586998_100000184471 [0,3,0,0,0,0|0,0,0]=3 31134 B13R1.28 C=CCNCCOc1ccccc1 270004a_100020586998_100000758736 [0,3,0,0,0,0|0,0,0]=3 31135 B13R1.28 C=CCNCCOc1ccccc1 34a_100000174943_100015514636 [0,3,0,0,0,0|0,0,0]=3 31136 B13R1.28 C=CCNCCOc1ccccn1 2230a_106741647558_100000210623 [0,3,0,0,0,0|1,0,0]=4 31137 B13R1.28 C=CCNCCOc1cccnc1 2230a_100000754688_100000210623 [0,3,0,0,0,0|1,0,0]=4 31138 B13R1.28 C=CCNCCSc1ccccc1 2230a_100000189519_100000210623 [0,3,0,0,0,0|0,1,0]=4 31139 B13R1.28 C=CCNCCSc1ccccc1 2230a_100020586998_100000246102 [0,3,0,0,0,0|0,1,0]=4 31140 B13R1.28 C=CCNCOCc1ccccc1 2230a_100020586998_100000763385 [0,3,0,0,0,0|0,0,0]=3 31141 B13R1.28 C=CCNCSCc1ccccc1 2230a_100020586998_200011217039 [0,3,0,0,0,0|0,1,0]=4 31142 B13R1.28 C=CCOC/C=C/c1ccccc1 34a_100000210256_100015514636 [0,3,0,0,0,0|0,0,0]=3 31143 B13R1.28 C=CCOC/C=C/c1ccccc1 34a_200000210373_100016265936 [0,3,0,0,0,0|0,0,0]=3 31144 B13R1.28 C=CCOC/C=C/c1cccnc1 34a_200102594124_100015514636 [0,3,0,0,0,0|1,0,0]=4 31145 B13R1.28 C=CCOCC#Cc1ccccc1 34a_100011217464_100015514636 [0,3,0,0,0,0|0,0,0]=3 31146 B13R1.28 C=CCOCC#Cc1ccccc1 34a_200000210373_100011352542 [0,3,0,0,0,0|0,0,0]=3 31147 B13R1.28 C=CCOCC#Cc1ccccc1 7a_100011217464_100015514636 [0,3,0,0,0,0|0,0,0]=3 31148 B13R1.28 C=CCOCC#Cc1ccccn1 34a_100011894333_100015514636 [0,3,0,0,0,0|1,0,0]=4 31149 B13R1.28 C=CCOCC#Cc1cccnc1 34a_100011376247_100015514636 [0,3,0,0,0,0|1,0,0]=4 31150 B13R1.28 C=CCOCC#Cc1ccncc1 34a_100011894393_100015514636 [0,3,0,0,0,0|1,0,0]=4 31151 B13R1.28 C=CCOCCCc1ccccc1 34a_100000210828_100015514636 [0,3,0,0,0,0|0,0,0]=3 31152 B13R1.28 C=CCOCCCc1ccccc1 34a_200000210373_100000211621 [0,3,0,0,0,0|0,0,0]=3 31153 B13R1.28 C=CCOCCCc1ccccc1 7a_100000210828_100015514636 [0,3,0,0,0,0|0,0,0]=3 31154 B13R1.28 C=CCOCCCc1ccccn1 34a_100011215068_100015514636 [0,3,0,0,0,0|1,0,0]=4 31155 B13R1.28 C=CCOCCCc1cccnc1 34a_100000211284_100015514636 [0,3,0,0,0,0|1,0,0]=4 31156 B13R1.28 C=CCOCCCc1ccncc1 34a_100000210659_100015514636 [0,3,0,0,0,0|1,0,0]=4 31157 B13R1.28 C=CCOCCNc1ccccc1 34a_100000211345_100015514636 [0,3,0,0,0,0|0,0,0]=3 31158 B13R1.28 C=CCOCCNc1ccncc1 34a_200011243140_100015514636 [0,3,0,0,0,0|1,0,0]=4 31159 B13R1.28 C=CCOCCOc1ccccc1 34a_100000210260_100015514636 [0,3,0,0,0,0|0,0,0]=3 31160 B13R1.28 C=CCOCCOc1ccccc1 34a_200000210373_100000184471 [0,3,0,0,0,0|0,0,0]=3 31161 B13R1.28 C=CCOCCOc1ccccc1 7a_100000210260_100015514636 [0,3,0,0,0,0|0,0,0]=3 31162 B13R1.28 C=CCOCCSc1ccccc1 34a_200000210373_100000246102 [0,3,0,0,0,0|0,0,0]=3 31163 B13R1.28 C=CCOCCSc1ccccc1 7a_100000230494_100015514636 [0,3,0,0,0,0|0,0,0]=3 31164 B13R1.28 C=CCOCCSc1ccccn1 7a_100000156319_100015514636 [0,3,0,0,0,0|1,0,0]=4 31165 B13R1.28 C=CCOCOCc1ccccc1 34a_200000210373_100000763385 [0,3,0,0,0,0|0,0,0]=3 31166 B13R1.28 C=CCOCSCc1ccccc1 34a_200000210373_200011217039 [0,3,0,0,0,0|0,0,0]=3 31167 B13R1.28 C=CCSC/C=C/c1ccccc1 62a_100000210623_100016265936 [0,3,0,0,0,0|0,1,0]=4 31168 B13R1.28 C=CCSC/C=C/c1ccccc1 62a_100016265936_100000210623 [0,3,0,0,0,0|0,1,0]=4 31169 B13R1.28 C=CCSCC#Cc1ccccc1 62a_100000210623_100011352542 [0,3,0,0,0,0|0,1,0]=4 31170 B13R1.28 C=CCSCCCc1ccccc1 62a_100000210623_100000211621 [0,3,0,0,0,0|0,1,0]=4 31171 B13R1.28 C=CCSCCCc1ccccc1 62a_100000211621_100000210623 [0,3,0,0,0,0|0,1,0]=4 31172 B13R1.28 C=CCSCCOc1ccccc1 62a_100000184471_100000210623 [0,3,0,0,0,0|0,0,0]=3 31173 B13R1.28 C=CCSCCOc1ccccc1 62a_100000210623_100000184471 [0,3,0,0,0,0|0,0,0]=3 31174 B13R1.28 C=CCSCCSc1ccccc1 62a_100000210623_100000246102 [0,3,0,0,0,0|0,1,0]=4 31175 B13R1.28 C=CCSCCSc1ccccc1 62a_100000246102_100000210623 [0,3,0,0,0,0|0,1,0]=4 31176 B13R1.28 C=CCSCOCc1ccccc1 62a_100000210623_100000763385 [0,3,0,0,0,0|0,0,0]=3 31177 B13R1.28 C=CCSCOCc1ccccc1 62a_100000763385_100000210623 [0,3,0,0,0,0|0,0,0]=3 31178 B13R1.28 C=CCSCSCc1ccccc1 62a_100000210623_200011217039 [0,3,0,0,0,0|0,1,0]=4 31179 B13R1.28 C=CCSCSCc1ccccc1 62a_200011217039_100000210623 [0,3,0,0,0,0|0,1,0]=4 31180 B13R1.28 C=COCCNCc1ccccc1 2230a_100015324214_100000039644 [0,3,0,0,0,0|1,0,0]=4 31181 B13R1.28 C=COCCNCc1ccccc1 34a_100015324214_100000039644 [0,3,0,0,0,0|1,0,0]=4 31182 B13R1.28 C=COCCOCc1ccccc1 34a_100000033082_100015291786 [0,3,0,0,0,0|0,0,0]=3 31183 B13R1.28 C=COCCOCc1ccccc1 34a_100000210790_100000039644 [0,3,0,0,0,0|0,0,0]=3 31184 B13R1.28 C=COCCOCc1ccccc1 7a_100000210790_100000039644 [0,3,0,0,0,0|0,0,0]=3 31185 B13R1.28 C=COCCOCc1ccccn1 34a_100000033082_100000721315 [0,3,0,0,0,0|1,0,0]=4 31186 B13R1.28 C=COCCOCc1cccnc1 34a_100000033082_100000733263 [0,3,0,0,0,0|1,0,0]=4 31187 B13R1.28 C=COCCSCc1ccccc1 62a_100000039644_100015291786 [0,3,0,0,0,0|0,1,0]=4 31188 B13R1.28 C=COCCSCc1ccccc1 62a_100000211182_100000039644 [0,3,0,0,0,0|0,1,0]=4 31189 B13R1.28 CC/C=C\CCNc1ccccc1 34a_100000106764_100015370543 [0,3,0,0,0,0|1,0,0]=4 31190 B13R1.28 CC/C=C\CCOc1ccccc1 34a_100000210340_100015370543 [0,3,0,0,0,0|0,0,0]=3 31191 B13R1.28 CC/C=C\CCOc1ccccc1 7a_100000210340_100015370543 [0,3,0,0,0,0|0,0,0]=3 31192 B13R1.28 CC/C=C\CCOc1cccnc1 34a_100000210849_100015370543 [0,3,0,0,0,0|1,0,0]=4 31193 B13R1.28 CC/C=C\CCOc1cccnc1 7a_100000210849_100015370543 [0,3,0,0,0,0|1,0,0]=4 31194 B13R1.28 CC/C=C\CCOc1ccncc1 34a_100000212176_100015370543 [0,3,0,0,0,0|1,0,0]=4 31195 B13R1.28 CC/C=C\CCSc1ccccc1 62a_100000719477_100015370543 [0,3,0,0,0,0|0,1,0]=4 31196 B13R1.28 CC/C=C\CCSc1ccccc1 62a_100015370543_100000041952 [0,3,0,0,0,0|0,1,0]=4 31197 B13R1.28 CC/C=C\CNCc1ccccc1 2230a_100015324214_100103147603 [0,3,0,0,0,0|1,0,0]=4 31198 B13R1.28 CC/C=C\CNCc1ccccc1 34a_100015324214_100103147603 [0,3,0,0,0,0|1,0,0]=4 31199 B13R1.28 CC/C=C\COCc1ccccc1 34a_100000210790_100103147603 [0,3,0,0,0,0|0,0,0]=3 31200 B13R1.28 CC/C=C\COCc1ccccc1 34a_100016268518_100015291786 [0,3,0,0,0,0|0,0,0]=3 31201 B13R1.28 CC/C=C\COCc1ccccc1 7a_100000210790_100103147603 [0,3,0,0,0,0|0,0,0]=3 31202 B13R1.28 CC/C=C\COCc1ccccn1 34a_100016268518_100000721315 [0,3,0,0,0,0|1,0,0]=4 31203 B13R1.28 CC/C=C\COCc1cccnc1 34a_100016268518_100000733263 [0,3,0,0,0,0|1,0,0]=4 31204 B13R1.28 CC/C=C\CSCc1ccccc1 62a_100000211182_100103147603 [0,3,0,0,0,0|0,1,0]=4 31205 B13R1.28 CC/C=C\CSCc1ccccc1 62a_100103147603_100015291786 [0,3,0,0,0,0|0,1,0]=4 31206 B13R1.28 CC=CCNCCc1ccccc1 2230a_100000106460_100000070051 [0,3,0,0,0,0|1,0,0]=4 31207 B13R1.28 CC=CCNCCc1ccccc1 34a_100000106460_100000070051 [0,3,0,0,0,0|1,0,0]=4 31208 B13R1.28 CC=CCOCCc1ccccc1 34a_100000210268_100000070051 [0,3,0,0,0,0|0,0,0]=3 31209 B13R1.28 CC=CCOCCc1ccccc1 7a_100000210268_100000070051 [0,3,0,0,0,0|0,0,0]=3 31210 B13R1.28 CC=CCOCCc1ccccn1 34a_100000210271_100000070051 [0,3,0,0,0,0|1,0,0]=4 31211 B13R1.28 CC=CCOCCc1cccnc1 34a_100011217484_100000070051 [0,3,0,0,0,0|1,0,0]=4 31212 B13R1.28 CC=CCOCCc1ccncc1 34a_100011216225_100000070051 [0,3,0,0,0,0|1,0,0]=4 31213 B13R1.28 CC=CCSCCc1ccccc1 62a_100000070051_100011218657 [0,3,0,0,0,0|0,1,0]=4 31214 B13R1.28 CC=CCSCCc1ccccc1 62a_100000765856_100000070051 [0,3,0,0,0,0|0,1,0]=4 31215 B13R1.28 CC=CCSCSc1ccccc1 62a_100000070051_100011218342 [0,3,0,0,0,0|0,1,0]=4 31216 B13R1.28 CC=CCSCSc1ccccc1 62a_100011218342_100000070051 [0,3,0,0,0,0|0,1,0]=4 31217 B13R1.28 CCNN=CCOc1ccccc1 4a_100000756455_100000758736 [0,3,0,0,0,0|0,0,1]=4 31218 B13R1.28 O=CCCCCOc1ccccc1 7a_100000210340_100000139335 [0,3,0,0,0,0|0,0,1]=4 31219 B13R1.28 O=CCCCOCc1ccccc1 7a_100000210790_200011292268 [0,3,0,0,0,0|0,0,1]=4 31220 B13R1.28 O=CCNCCOc1ccccc1 2230a_100000174943_200015260668 [0,3,0,0,0,0|0,0,1]=4 31221 B13R1.28 O=CCNCCOc1ccccc1 34a_100000174943_200009817547 [0,3,0,0,0,0|0,0,1]=4 31222 B13R1.28 O=CCOC/C=C/c1ccccc1 34a_100000210256_200009817547 [0,3,0,0,0,0|1,0,0]=4 31223 B13R1.28 O=CCOCC#Cc1ccccc1 34a_100011217464_200009817547 [0,3,0,0,0,0|1,0,0]=4 31224 B13R1.28 O=CCOCC#Cc1ccccc1 7a_100011217464_200015260668 [0,3,0,0,0,0|1,0,0]=4 31225 B13R1.28 O=CCOCCCc1ccccc1 34a_100000210828_200009817547 [0,3,0,0,0,0|1,0,0]=4 31226 B13R1.28 O=CCOCCCc1ccccc1 7a_100000210828_200015260668 [0,3,0,0,0,0|1,0,0]=4 31227 B13R1.28 O=CCOCCNc1ccccc1 34a_100000211345_200009817547 [0,3,0,0,0,0|1,0,0]=4 31228 B13R1.28 O=CCOCCOc1ccccc1 34a_100000210260_200009817547 [0,3,0,0,0,0|0,0,1]=4 31229 B13R1.28 O=CCOCCOc1ccccc1 7a_100000210260_200015260668 [0,3,0,0,0,0|0,0,1]=4 31230 B13R1.28 O=CCOCCSc1ccccc1 7a_100000230494_200015260668 [0,3,0,0,0,0|1,0,0]=4 31231 B13R1.28 O=CCSCCOc1ccccc1 62a_100000184471_200015260668 [0,3,0,0,0,0|0,0,1]=4 31232 B13R1.28 O=CCSCCOc1ccccc1 62a_200015260668_100000184471 [0,3,0,0,0,0|0,0,1]=4 31233 B13R1.28 O=CCSCOCc1ccccc1 62a_100000763385_200015260668 [0,3,0,0,0,0|0,0,1]=4 31234 B13R1.28 O=CCSCOCc1ccccc1 62a_200015260668_100000763385 [0,3,0,0,0,0|0,0,1]=4 31235 B13R1.42 C#CCC(=O)COc1ccccc1 1458a_100000186222_100000184674 [0,3,0,0,0,0|0,0,1]=4 31236 B13R1.42 C/C=C/C(C)OCc1ccccc1 34a_200102604097_100015291786 [0,3,0,0,0,0|0,0,0]=3 31237 B13R1.42 C/C=C/C(C)OCc1ccccn1 34a_200102604097_100000721315 [0,3,0,0,0,0|1,0,0]=4 31238 B13R1.42 C/C=C/C(C)OCc1cccnc1 34a_200102604097_100000733263 [0,3,0,0,0,0|1,0,0]=4 31239 B13R1.42 C=CCC(=O)C#Cc1ccccc1 1458a_100000736102_100000210623 [0,3,0,0,0,0|1,0,0]=4 31240 B13R1.42 C=CCC(=O)C=Cc1ccccc1 1458a_100000210462_100000210623 [0,3,0,0,0,0|1,0,0]=4 31241 B13R1.42 C=CCC(=O)CCc1ccccc1 1458a_100000185753_100000210623 [0,3,0,0,0,0|1,0,0]=4 31242 B13R1.42 C=CCC(=O)CCc1ccccc1 1458a_100000210193_100000765856 [0,3,0,0,0,0|1,0,0]=4 31243 B13R1.42 C=CCC(=O)COc1ccccc1 1458a_100000186222_100000210623 [0,3,0,0,0,0|0,0,0]=3 31244 B13R1.42 C=CCC(=O)COc1ccccn1 1458a_100102699861_100000210623 [0,3,0,0,0,0|1,0,0]=4 31245 B13R1.42 C=CCC(=O)COc1cccnc1 1458a_100015207166_100000210623 [0,3,0,0,0,0|1,0,0]=4 31246 B13R1.42 C=CCC(=O)CSc1ccccc1 1458a_100000211596_100000210623 [0,3,0,0,0,0|0,1,0]=4 31247 B13R1.42 C=CCC(=O)NCc1ccccc1 11a_100015324214_100000210193 [0,3,0,0,0,0|1,0,0]=4 31248 B13R1.42 C=CCC(=O)NCc1ccccc1 1626a_100015324214_100000210193 [0,3,0,0,0,0|1,0,0]=4 31249 B13R1.42 C=CCC(=O)NCc1ccccc1 240690a_100015324214_100000210193 [0,3,0,0,0,0|1,0,0]=4 31250 B13R1.42 C=CCC(=O)NCc1ccccc1 527a_100015324214_100000210193 [0,3,0,0,0,0|1,0,0]=4 31251 B13R1.42 C=CCC(=O)NNc1ccccc1 22a_100015195140_100000210193 [0,3,0,0,0,0|1,0,0]=4 31252 B13R1.42 C=CCN(C)CCc1ccccc1 2230a_100000207497_100000210623 [0,3,0,0,0,0|1,0,0]=4 31253 B13R1.42 C=CCN(C)CCc1ccccc1 2230a_100000225617_100000765856 [0,3,0,0,0,0|1,0,0]=4 31254 B13R1.42 C=CCN(C)CCc1ccccc1 269982a_100000207497_100000210623 [0,3,0,0,0,0|1,0,0]=4 31255 B13R1.42 C=CCN(C)CCc1ccccc1 269982a_100000225617_100000765856 [0,3,0,0,0,0|1,0,0]=4 31256 B13R1.42 C=CCN(C)CSc1ccccc1 2230a_100000225617_100011218342 [0,3,0,0,0,0|0,1,0]=4 31257 B13R1.42 C=CCN(C)CSc1ccccc1 269982a_100000225617_100011218342 [0,3,0,0,0,0|0,1,0]=4 31258 B13R1.42 C=CC[C@@H](C)OCc1ccccc1 34a_100000731007_100015291786 [0,3,0,0,0,0|0,0,0]=3 31259 B13R1.42 C=CC[C@@H](C)OCc1ccccc1 7a_100000731007_100000211182 [0,3,0,0,0,0|0,0,0]=3 31260 B13R1.42 C=CC[C@@H](C)OCc1ccccn1 34a_100000731007_100000721315 [0,3,0,0,0,0|1,0,0]=4 31261 B13R1.42 C=CC[C@@H](C)OCc1ccccn1 7a_100000731007_100000721315 [0,3,0,0,0,0|1,0,0]=4 31262 B13R1.42 C=CC[C@@H](C)OCc1cccnc1 34a_100000731007_100000733263 [0,3,0,0,0,0|1,0,0]=4 31263 B13R1.42 C=CC[C@@H](C)OCc1cccnc1 7a_100000731007_100000741622 [0,3,0,0,0,0|1,0,0]=4 31264 B13R1.42 C=CC[C@@H](C)OCc1ccncc1 7a_100000731007_100015193705 [0,3,0,0,0,0|1,0,0]=4 31265 B13R1.42 C=COC(=O)CNc1ccccc1 34a_100000106764_100000036128 [0,3,0,0,0,0|1,0,0]=4 31266 B13R1.42 C=COC(=O)COc1ccccc1 34a_100000210340_100000036128 [0,3,0,0,0,0|0,0,0]=3 31267 B13R1.42 C=COC(=O)COc1cccnc1 34a_100000210849_100000036128 [0,3,0,0,0,0|1,0,0]=4 31268 B13R1.42 C=COC(=O)COc1ccncc1 34a_100000212176_100000036128 [0,3,0,0,0,0|1,0,0]=4 31269 B13R1.42 C=COC(=O)CSc1ccccc1 62a_100000036128_100000041952 [0,3,0,0,0,0|0,1,0]=4 31270 B13R1.42 C=COC(=O)CSc1ccccc1 62a_100000719477_100000036128 [0,3,0,0,0,0|0,1,0]=4 31271 B13R1.42 CC=CC(=O)CCc1ccccc1 1458a_100000210699_100000765856 [0,3,0,0,0,0|1,0,0]=4 31272 B13R1.42 CCCC(=O)COc1ccccc1 1458a_100000186222_100000210303 [0,3,0,0,0,0|0,0,1]=4 31273 B13R1.42 CCCC(=O)COc1ccccc1 7a_100000210340_100000747444 [0,3,0,0,0,0|0,0,1]=4 31274 B13R1.42 CCNC(=O)COc1ccccc1 11a_100015525214_100000186222 [0,3,0,0,0,0|0,0,1]=4 31275 B13R1.42 CCNC(=O)COc1ccccc1 240690a_100015525214_100000186222 [0,3,0,0,0,0|0,0,1]=4 31276 B13R1.42 CCNC(=O)COc1ccccc1 34a_100000210340_100000183381 [0,3,0,0,0,0|0,0,1]=4 31277 B13R1.42 CCNC(=O)COc1ccccc1 527a_100015525214_100000186222 [0,3,0,0,0,0|0,0,1]=4 31278 B13R1.42 CCNC(=O)COc1ccccc1 7a_100000210340_100000183381 [0,3,0,0,0,0|0,0,1]=4 31279 B13R1.42 CCOC(=O)COc1ccccc1 34a_100000210340_100000188475 [0,3,0,0,0,0|0,0,1]=4 31280 B13R1.42 CCOC(=O)COc1ccccc1 7a_100000210340_100000188475 [0,3,0,0,0,0|0,0,1]=4 31281 B13R1.42 CNNC(=O)COc1ccccc1 22a_100016993582_100000186222 [0,3,0,0,0,0|0,0,1]=4 31282 B13R1.42 N#CCC(=O)COc1ccccc1 1458a_100000186222_100011214920 [0,3,0,0,0,0|0,0,1]=4 31283 B13R1.42 O=C(C=CBr)CCc1ccccc1 1458a_100016273825_100000765856 [0,3,0,0,0,0|1,0,0]=4 31284 B13R1.42 O=C(C=CCl)CCc1ccccc1 1458a_200016279998_100000765856 [0,3,0,0,0,0|1,0,0]=4 31285 B13R1.42 O=C(C=CI)CCc1ccccc1 1458a_100016256311_100000765856 [0,3,0,0,0,0|1,0,0]=4 31286 B13R1.42 O=C(CCF)COc1ccccc1 1458a_100000186222_100011217306 [0,3,0,0,0,0|0,0,1]=4 31287 B13R1.42 O=C(CCO)COc1ccccc1 1458a_100000186222_100000211926 [0,3,0,0,0,0|0,0,1]=4 31288 B13R1.42 O=C(COc1ccccc1)NCO 34a_100000210340_100000185155 [0,3,0,0,0,0|0,0,1]=4 31289 B13R1.42 O=C(COc1ccccc1)NCO 7a_100000210340_100000185155 [0,3,0,0,0,0|0,0,1]=4 31290 B13R1.44 C/C=C/CN(C)Cc1ccccc1 269982a_100000186898_100102629194 [0,3,0,0,0,0|1,0,0]=4 31291 B13R1.44 C=CCCC(=O)Cc1ccccc1 1458a_100000749702_100015291786 [0,3,0,0,0,0|1,0,0]=4 31292 B13R1.44 C=CCCC(=O)Nc1ccccc1 11a_100000106764_100000749702 [0,3,0,0,0,0|1,0,0]=4 31293 B13R1.44 C=CCCC(=O)Nc1ccccc1 1626a_100000106764_100000749702 [0,3,0,0,0,0|1,0,0]=4 31294 B13R1.44 C=CCCC(=O)Nc1ccccc1 22a_100000106764_100000749702 [0,3,0,0,0,0|1,0,0]=4 31295 B13R1.44 C=CCCC(=O)Nc1ccccc1 527a_100000106764_100000749702 [0,3,0,0,0,0|1,0,0]=4 31296 B13R1.44 C=CCCN(C)Cc1ccccc1 2230a_100000186898_100000754431 [0,3,0,0,0,0|1,0,0]=4 31297 B13R1.44 C=CCCN(C)Cc1ccccc1 2230a_100011934112_200000210301 [0,3,0,0,0,0|1,0,0]=4 31298 B13R1.44 C=CCCN(C)Cc1ccccc1 2230a_100020639649_100015291786 [0,3,0,0,0,0|1,0,0]=4 31299 B13R1.44 C=CCCN(C)Cc1ccccc1 269982a_100000186898_100000754431 [0,3,0,0,0,0|1,0,0]=4 31300 B13R1.44 C=CCCN(C)Cc1ccccc1 269982a_100011934112_200000210301 [0,3,0,0,0,0|1,0,0]=4 31301 B13R1.44 C=CCCN(C)Cc1ccccc1 269982a_100020639649_100000211182 [0,3,0,0,0,0|1,0,0]=4 31302 B13R1.44 C=CCCN(C)Cc1ccccc1 270004a_100020639649_100015611070 [0,3,0,0,0,0|1,0,0]=4 31303 B13R1.44 C=CCCN([13CH3])Cc1ccccc1 2230a_100011934112_200025704644 [0,3,0,0,0,0|1,0,0]=4 31304 B13R1.44 C=CCCN([13CH3])Cc1ccccc1 269982a_100011934112_200025704644 [0,3,0,0,0,0|1,0,0]=4 31305 B13R1.44 C=CCNC(=O)Nc1ccccc1 2430a_100000106764_100020586998 [0,3,0,0,0,0|1,0,0]=4 31306 B13R1.44 C=CCOC(C)Cc1ccccc1 34a_100000748627_100015514636 [0,3,0,0,0,0|0,0,0]=3 31307 B13R1.44 C=CCOC(C)Cc1ccccc1 34a_200000210373_200011218536 [0,3,0,0,0,0|0,0,0]=3 31308 B13R1.44 C=CCOC(C)Cc1ccccc1 7a_100000748627_100015514636 [0,3,0,0,0,0|0,0,0]=3 31309 B13R1.44 C=CCSC(C)Cc1ccccc1 62a_100000210623_200011218536 [0,3,0,0,0,0|0,1,0]=4 31310 B13R1.44 C=CCSC(C)Cc1ccccc1 62a_200011218536_100000210623 [0,3,0,0,0,0|0,1,0]=4 31311 B13R1.44 CC(Cc1ccccc1)OCC=O 34a_100000748627_200009817547 [0,3,0,0,0,0|1,0,0]=4 31312 B13R1.44 CC(Cc1ccccc1)OCC=O 7a_100000748627_200015260668 [0,3,0,0,0,0|1,0,0]=4 31313 B13R1.44 CC=CCC(=O)Cc1ccccc1 1458a_100121576822_100015291786 [0,3,0,0,0,0|1,0,0]=4 31314 B13R1.44 CC=CCC(=O)Nc1ccccc1 11a_100000106764_100121576822 [0,3,0,0,0,0|1,0,0]=4 31315 B13R1.44 CC=CCC(=O)Nc1ccccc1 1626a_100000106764_100121576822 [0,3,0,0,0,0|1,0,0]=4 31316 B13R1.44 CC=CCC(=O)Nc1ccccc1 22a_100000106764_100121576822 [0,3,0,0,0,0|1,0,0]=4 31317 B13R1.44 CC=CCC(=O)Nc1ccccc1 527a_100000106764_100121576822 [0,3,0,0,0,0|1,0,0]=4 31318 B13R1.44 CC=CCN(C)Cc1ccccc1 2230a_100000186898_100000070051 [0,3,0,0,0,0|1,0,0]=4 31319 B13R1.337 C=C(Br)CCOCc1ccccc1 34a_100009813270_100015291786 [0,3,0,0,0,0|0,0,0]=3 31320 B13R1.337 C=C(Br)CCOCc1ccccn1 34a_100009813270_100000721315 [0,3,0,0,0,0|1,0,0]=4 31321 B13R1.337 C=C(Br)CCOCc1cccnc1 34a_100009813270_100000733263 [0,3,0,0,0,0|1,0,0]=4 31322 B13R1.337 C=C(C)CCNCc1ccccc1 2230a_100015324214_100000730704 [0,3,0,0,0,0|1,0,0]=4 31323 B13R1.337 C=C(C)CCNCc1ccccc1 34a_100015324214_100000730704 [0,3,0,0,0,0|1,0,0]=4 31324 B13R1.337 C=C(C)CCOCc1ccccc1 34a_100000210790_100000730704 [0,3,0,0,0,0|0,0,0]=3 31325 B13R1.337 C=C(C)CCOCc1ccccc1 34a_100000764851_100015291786 [0,3,0,0,0,0|0,0,0]=3 31326 B13R1.337 C=C(C)CCOCc1ccccc1 7a_100000210790_100000730704 [0,3,0,0,0,0|0,0,0]=3 31327 B13R1.337 C=C(C)CCOCc1ccccn1 34a_100000764851_100000721315 [0,3,0,0,0,0|1,0,0]=4 31328 B13R1.337 C=C(C)CCOCc1cccnc1 34a_100000764851_100000733263 [0,3,0,0,0,0|1,0,0]=4 31329 B13R1.337 C=C(C)CCSCc1ccccc1 62a_100000211182_100000730704 [0,3,0,0,0,0|0,1,0]=4 31330 B13R1.337 C=C(C)CCSCc1ccccc1 62a_100000730704_100015291786 [0,3,0,0,0,0|0,1,0]=4 31331 B13R1.337 C=C(C)CNCCc1ccccc1 2230a_100000106460_100000748629 [0,3,0,0,0,0|1,0,0]=4 31332 B13R1.337 C=C(C)CNCCc1ccccc1 34a_100000106460_100000748629 [0,3,0,0,0,0|1,0,0]=4 31333 B13R1.337 C=C(C)COCCc1ccccc1 34a_100000210245_100000765856 [0,3,0,0,0,0|0,0,0]=3 31334 B13R1.337 C=C(C)COCCc1ccccc1 34a_100000210268_100000748629 [0,3,0,0,0,0|0,0,0]=3 31335 B13R1.337 C=C(C)COCCc1ccccc1 7a_100000210268_100000748629 [0,3,0,0,0,0|0,0,0]=3 31336 B13R1.337 C=C(C)COCCc1ccccn1 34a_100000210271_100000748629 [0,3,0,0,0,0|1,0,0]=4 31337 B13R1.337 C=C(C)COCCc1cccnc1 34a_100011217484_100000748629 [0,3,0,0,0,0|1,0,0]=4 31338 B13R1.337 C=C(C)COCCc1ccncc1 34a_100011216225_100000748629 [0,3,0,0,0,0|1,0,0]=4 31339 B13R1.337 C=C(C)CSCCc1ccccc1 62a_100000748629_100011218657 [0,3,0,0,0,0|0,1,0]=4 31340 B13R1.337 C=C(C)CSCCc1ccccc1 62a_100000765856_100000211660 [0,3,0,0,0,0|0,1,0]=4 31341 B13R1.337 C=C(C)CSCSc1ccccc1 62a_100000748629_100011218342 [0,3,0,0,0,0|0,1,0]=4 31342 B13R1.337 C=C(C)CSCSc1ccccc1 62a_100011218342_100000211660 [0,3,0,0,0,0|0,1,0]=4 31343 B13R1.337 C=C(F)CNCCc1ccccc1 2230a_100000106460_100009893438 [0,3,0,0,0,0|1,0,0]=4 31344 B13R1.337 C=C(F)CNCCc1ccccc1 34a_100000106460_100009893438 [0,3,0,0,0,0|1,0,0]=4 31345 B13R1.337 C=C(F)COCCc1ccccc1 34a_100000210268_100009893438 [0,3,0,0,0,0|0,0,0]=3 31346 B13R1.337 C=C(F)COCCc1ccccc1 34a_200010262243_100000765856 [0,3,0,0,0,0|0,0,0]=3 31347 B13R1.337 C=C(F)COCCc1ccccc1 7a_100000210268_100000042424 [0,3,0,0,0,0|0,0,0]=3 31348 B13R1.337 C=C(F)COCCc1ccccn1 34a_100000210271_100009893438 [0,3,0,0,0,0|1,0,0]=4 31349 B13R1.337 C=C(F)COCCc1cccnc1 34a_100011217484_100009893438 [0,3,0,0,0,0|1,0,0]=4 31350 B13R1.337 C=C(F)COCCc1ccncc1 34a_100011216225_100009893438 [0,3,0,0,0,0|1,0,0]=4 31351 B13R1.337 C=C(F)CSCCc1ccccc1 62a_100000042424_100011218657 [0,3,0,0,0,0|0,1,0]=4 31352 B13R1.337 C=C(F)CSCCc1ccccc1 62a_100000765856_100000042424 [0,3,0,0,0,0|0,1,0]=4 31353 B13R1.337 C=C(F)CSCSc1ccccc1 62a_100000042424_100011218342 [0,3,0,0,0,0|0,1,0]=4 31354 B13R1.337 C=C(F)CSCSc1ccccc1 62a_100011218342_100000042424 [0,3,0,0,0,0|0,1,0]=4 31355 B13R1.337 CC(=CCCNc1ccccc1)C 34a_100000106764_100011217483 [0,3,0,0,0,0|1,0,0]=4 31356 B13R1.337 CC(=CCCOc1ccccc1)C 34a_100000210340_100011217483 [0,3,0,0,0,0|0,0,0]=3 31357 B13R1.337 CC(=CCCOc1ccccc1)C 7a_100000210340_100011217483 [0,3,0,0,0,0|0,0,0]=3 31358 B13R1.337 CC(=CCCOc1cccnc1)C 34a_100000210849_100011217483 [0,3,0,0,0,0|1,0,0]=4 31359 B13R1.337 CC(=CCCOc1cccnc1)C 7a_100000210849_100011217483 [0,3,0,0,0,0|1,0,0]=4 31360 B13R1.337 CC(=CCCOc1ccncc1)C 34a_100000212176_100011217483 [0,3,0,0,0,0|1,0,0]=4 31361 B13R1.337 CC(=CCCSc1ccccc1)C 62a_100000719477_100011217483 [0,3,0,0,0,0|0,1,0]=4 31362 B13R1.337 CC(=CCCSc1ccccc1)C 62a_100011217483_100000041952 [0,3,0,0,0,0|0,1,0]=4 31363 B13R1.337 CC(=CCNCc1ccccc1)C 2230a_100015324214_100000761012 [0,3,0,0,0,0|1,0,0]=4 31364 B13R1.337 CC(=CCNCc1ccccc1)C 270004a_100000718196_100015611070 [0,3,0,0,0,0|1,0,0]=4 31365 B13R1.337 CC(=CCNCc1ccccc1)C 34a_100000718196_100015291786 [0,3,0,0,0,0|1,0,0]=4 31366 B13R1.337 CC(=CCNCc1ccccc1)C 34a_100015324214_100000761012 [0,3,0,0,0,0|1,0,0]=4 31367 B13R1.337 CC(=CCOCc1ccccc1)C 34a_100000210790_100000761012 [0,3,0,0,0,0|0,0,0]=3 31368 B13R1.337 CC(=CCOCc1ccccc1)C 34a_100000753907_100015291786 [0,3,0,0,0,0|0,0,0]=3 31369 B13R1.337 CC(=CCOCc1ccccc1)C 7a_100000210790_100000761012 [0,3,0,0,0,0|0,0,0]=3 31370 B13R1.337 CC(=CCOCc1ccccn1)C 34a_100000753907_100000721315 [0,3,0,0,0,0|1,0,0]=4 31371 B13R1.337 CC(=CCOCc1cccnc1)C 34a_100000753907_100000733263 [0,3,0,0,0,0|1,0,0]=4 31372 B13R1.337 CC(=CCSCc1ccccc1)C 62a_100000211182_100000761012 [0,3,0,0,0,0|0,1,0]=4 31373 B13R1.337 CC(=CCSCc1ccccc1)C 62a_100000761012_100015291786 [0,3,0,0,0,0|0,1,0]=4 31374 B13R1.337 CC(=O)C=CCCc1ccccc1 1458a_100016484021_200000210301 [0,3,0,0,0,0|1,0,0]=4 31375 B13R1.337 CC(=O)CCCOc1ccccc1 1458a_100000070787_100000199009 [0,3,0,0,0,0|0,0,1]=4 31376 B13R1.337 CC(=O)CCCOc1ccccc1 1458a_100000212059_200000210301 [0,3,0,0,0,0|0,0,1]=4 31377 B13R1.337 CC(=O)CCCOc1ccccc1 34a_100000210340_100000685027 [0,3,0,0,0,0|0,0,1]=4 31378 B13R1.337 CC(=O)CCCOc1ccccc1 7a_100000210340_100011215641 [0,3,0,0,0,0|0,0,1]=4 31379 B13R1.337 CC(=O)CCOCc1ccccc1 1458a_100000070787_100000234347 [0,3,0,0,0,0|0,0,1]=4 31380 B13R1.337 CC(=O)CCOCc1ccccc1 1458a_100000743319_200000210301 [0,3,0,0,0,0|0,0,1]=4 31381 B13R1.337 CC(=O)CCOCc1ccccc1 34a_100000759926_100015291786 [0,3,0,0,0,0|0,0,1]=4 31382 B13R1.337 CC(=O)CCOCc1ccccc1 7a_100000210790_100000053229 [0,3,0,0,0,0|0,0,1]=4 31383 B13R1.337 CC(=O)CCOCc1ccccc1 7a_100000759926_100000211182 [0,3,0,0,0,0|0,0,1]=4 31384 B13R1.337 CC(=O)COCCc1ccccc1 34a_100000211253_100000765856 [0,3,0,0,0,0|0,0,1]=4 31385 B13R1.337 CC(=O)NCCOc1ccccc1 11a_100000174943_100015343762 [0,3,0,0,0,0|0,0,1]=4 31386 B13R1.337 CC(=O)NCCOc1ccccc1 1626a_100000174943_100015343762 [0,3,0,0,0,0|0,0,1]=4 31387 B13R1.337 CC(=O)NCCOc1ccccc1 240690a_100000174943_100015343762 [0,3,0,0,0,0|0,0,1]=4 31388 B13R1.337 CC(=O)NCCOc1ccccc1 527a_100000174943_100103153847 [0,3,0,0,0,0|0,0,1]=4 31389 B13R1.337 CC(=O)NCCOc1ccccc1 7a_100000210340_100000189650 [0,3,0,0,0,0|0,0,1]=4 31390 B13R1.337 CC(=O)OCCOc1ccccc1 34a_100000210340_100009814007 [0,3,0,0,0,0|0,0,1]=4 31391 B13R1.337 CC(=O)OCCOc1ccccc1 7a_100000210340_100009814007 [0,3,0,0,0,0|0,0,1]=4 31392 B13R1.337 CC(=O)OCOCc1ccccc1 34a_100000210790_100009813279 [0,3,0,0,0,0|0,0,1]=4 31393 B13R1.337 FC(=CCCNc1ccccc1)F 34a_100000106764_200009816681 [0,3,0,0,0,0|1,0,0]=4 31394 B13R1.337 FC(=CCCOc1ccccc1)F 34a_100000210340_200009816681 [0,3,0,0,0,0|0,0,0]=3 31395 B13R1.337 FC(=CCCOc1ccccc1)F 7a_100000210340_200009816681 [0,3,0,0,0,0|0,0,0]=3 31396 B13R1.337 FC(=CCCOc1cccnc1)F 34a_100000210849_200009816681 [0,3,0,0,0,0|1,0,0]=4 31397 B13R1.337 FC(=CCCOc1cccnc1)F 7a_100000210849_200009816681 [0,3,0,0,0,0|1,0,0]=4 31398 B13R1.337 FC(=CCCOc1ccncc1)F 34a_100000212176_200009816681 [0,3,0,0,0,0|1,0,0]=4 31399 B13R1.337 FC(=CCCSc1ccccc1)F 62a_100000719477_200009816681 [0,3,0,0,0,0|0,1,0]=4 31400 B13R1.337 FC(=CCCSc1ccccc1)F 62a_200009816681_100000041952 [0,3,0,0,0,0|0,1,0]=4 31401 B13R1.337 NC(=O)CCCOc1ccccc1 34a_100000210340_100102525003 [0,3,0,0,0,0|0,0,1]=4 31402 B13R1.337 NC(=O)CCCOc1ccccc1 7a_100000210340_100102525003 [0,3,0,0,0,0|0,0,1]=4 31403 B13R1.337 NC(=O)CCOCc1ccccc1 34a_100000210790_100000731001 [0,3,0,0,0,0|0,0,1]=4 31404 B13R1.337 NC(=O)CCOCc1ccccc1 34a_100000757172_100015291786 [0,3,0,0,0,0|0,0,1]=4 31405 B13R1.337 NC(=O)CCOCc1ccccc1 7a_100000210790_100000744528 [0,3,0,0,0,0|0,0,1]=4 31406 B13R1.337 NC(=O)CCOCc1ccccc1 7a_100000757172_100000211182 [0,3,0,0,0,0|0,0,1]=4 31407 B13R1.337 NC(=O)COCCc1ccccc1 34a_100000210268_100000187820 [0,3,0,0,0,0|1,0,0]=4 31408 B13R1.337 NC(=O)COCCc1ccccc1 7a_100000210268_100000187820 [0,3,0,0,0,0|1,0,0]=4 31409 B13R1.337 NC(=O)NCCOc1ccccc1 7a_100000210340_200000034859 [0,3,0,0,0,0|0,0,1]=4 31410 B13R1.337 NC(=O)OCCOc1ccccc1 34a_100000210340_200011214921 [0,3,0,0,0,0|0,0,1]=4 31411 B13R1.337 NC(=O)OCCOc1ccccc1 7a_100000210340_200011214921 [0,3,0,0,0,0|0,0,1]=4 31412 B13R1.337 O=C(O)CONCc1ccccc1 269956a_100000106656_100015291786 [0,3,0,0,0,0|1,0,0]=4 31413 B13R1.337 O=C([O-])COCCc1ccccc1 34a_100000210268_100020667443 [0,3,0,0,0,0|1,0,0]=4 31414 B13R1.337 OB(O)/C=C/CNc1ccccc1 34a_100000106764_100016262062 [0,3,0,0,0,0|1,0,0]=4 31415 B13R1.337 OB(O)/C=C/COc1ccccc1 34a_100000210340_100016262062 [0,3,0,0,0,0|0,0,0]=3 31416 B13R1.337 OB(O)/C=C/COc1ccccc1 7a_100000210340_100016262062 [0,3,0,0,0,0|0,0,0]=3 31417 B13R1.337 OB(O)/C=C/COc1cccnc1 34a_100000210849_100016262062 [0,3,0,0,0,0|1,0,0]=4 31418 B13R1.337 OB(O)/C=C/COc1cccnc1 7a_100000210849_100016262062 [0,3,0,0,0,0|1,0,0]=4 31419 B13R1.337 OB(O)/C=C/COc1ccncc1 34a_100000212176_100016262062 [0,3,0,0,0,0|1,0,0]=4 31420 B13R1.337 OB(O)/C=C/CSc1ccccc1 62a_100000719477_100016262062 [0,3,0,0,0,0|0,1,0]=4 31421 B13R1.337 OB(O)/C=C/CSc1ccccc1 62a_100016262062_100000041952 [0,3,0,0,0,0|0,1,0]=4 31422 B13R1.337 [13CH3]C(=O)C=CCCc1ccccc1 1458a_100016484021_200025704644 [0,3,0,0,0,0|1,0,0]=4 31423 B13R1.337 [13CH3]C(=O)CCCOc1ccccc1 1458a_100000212059_200025704644 [0,3,0,0,0,0|0,0,1]=4 31424 B13R1.337 [13CH3]C(=O)CCOCc1ccccc1 1458a_100000743319_200025704644 [0,3,0,0,0,0|0,0,1]=4 31425 B13R1.718 C#CC(=O)CCOc1ccccc1 1458a_100000211873_100000184471 [0,3,0,0,0,0|0,0,1]=4 31426 B13R1.718 C=C(C#N)CNCc1ccccc1 2230a_100015324214_100000694840 [0,3,0,0,0,0|1,0,0]=4 31427 B13R1.718 C=C(C#N)CNCc1ccccc1 34a_100015324214_100000694840 [0,3,0,0,0,0|1,0,0]=4 31428 B13R1.718 C=C(C#N)COCc1ccccc1 34a_100000210790_100000694840 [0,3,0,0,0,0|0,0,0]=3 31429 B13R1.718 C=C(C#N)CSCc1ccccc1 62a_100000211182_100000694840 [0,3,0,0,0,0|0,1,0]=4 31430 B13R1.718 C=CC(=O)C/C=C/c1ccccc1 1458a_100000185746_100016265936 [0,3,0,0,0,0|1,0,0]=4 31431 B13R1.718 C=CC(=O)CC#Cc1ccccc1 1458a_100000185746_100011352542 [0,3,0,0,0,0|1,0,0]=4 31432 B13R1.718 C=CC(=O)CCCc1ccccc1 1458a_100000185746_100000211621 [0,3,0,0,0,0|1,0,0]=4 31433 B13R1.718 C=CC(=O)CCOc1ccccc1 1458a_100000185746_100000184471 [0,3,0,0,0,0|0,0,0]=3 31434 B13R1.718 C=CC(=O)CCSc1ccccc1 1458a_100000185746_100000246102 [0,3,0,0,0,0|0,1,0]=4 31435 B13R1.718 C=CC(=O)CSCc1ccccc1 1458a_100000185746_200011217039 [0,3,0,0,0,0|0,1,0]=4 31436 B13R1.718 C=CC(=O)NCCc1ccccc1 1626a_100000106460_100000185746 [0,3,0,0,0,0|1,0,0]=4 31437 B13R1.718 C=CC(=O)NCCc1ccccc1 240690a_100000106460_200121576911 [0,3,0,0,0,0|1,0,0]=4 31438 B13R1.718 C=CC(C)COCc1ccccc1 34a_100011215527_100015291786 [0,3,0,0,0,0|0,0,0]=3 31439 B13R1.718 C=CC(C)COCc1ccccc1 7a_100011215527_100000211182 [0,3,0,0,0,0|0,0,0]=3 31440 B13R1.718 C=CC(C)COCc1ccccn1 34a_100011215527_100000721315 [0,3,0,0,0,0|1,0,0]=4 31441 B13R1.718 C=CC(C)COCc1ccccn1 7a_100011215527_100000721315 [0,3,0,0,0,0|1,0,0]=4 31442 B13R1.718 C=CC(C)COCc1cccnc1 34a_100011215527_100000733263 [0,3,0,0,0,0|1,0,0]=4 31443 B13R1.718 C=CC(C)COCc1cccnc1 7a_100011215527_100000741622 [0,3,0,0,0,0|1,0,0]=4 31444 B13R1.718 C=CC(C)COCc1ccncc1 7a_100011215527_100015193705 [0,3,0,0,0,0|1,0,0]=4 31445 B13R1.718 C=CC(C)OCCc1ccccc1 34a_100000695699_100000765856 [0,3,0,0,0,0|0,0,0]=3 31446 B13R1.718 C=CC(C)SCCc1ccccc1 62a_100011215867_100011218657 [0,3,0,0,0,0|0,1,0]=4 31447 B13R1.718 C=CC(C)SCSc1ccccc1 62a_100011215867_100011218342 [0,3,0,0,0,0|0,1,0]=4 31448 B13R1.718 C=CC(O)CNCc1ccccc1 2230a_100015324214_100000730141 [0,3,0,0,0,0|1,0,0]=4 31449 B13R1.718 C=CC(O)CNCc1ccccc1 34a_100015324214_100000730141 [0,3,0,0,0,0|1,0,0]=4 31450 B13R1.718 C=CC(O)COCc1ccccc1 34a_100000210790_100000730141 [0,3,0,0,0,0|0,0,0]=3 31451 B13R1.718 C=CC(O)COCc1ccccc1 7a_100000210790_100000730141 [0,3,0,0,0,0|0,0,0]=3 31452 B13R1.718 C=CC(O)CSCc1ccccc1 62a_100000211182_100000730141 [0,3,0,0,0,0|0,1,0]=4 31453 B13R1.718 C=CC(O)CSCc1ccccc1 62a_100000730141_100015291786 [0,3,0,0,0,0|0,1,0]=4 31454 B13R1.718 C=C[C@H](N)COCc1ccccc1 34a_100016989147_100015291786 [0,3,0,0,0,0|0,0,0]=3 31455 B13R1.718 C=C[C@H](N)COCc1ccccn1 34a_100016989147_100000721315 [0,3,0,0,0,0|1,0,0]=4 31456 B13R1.718 C=C[C@H](N)COCc1cccnc1 34a_100016989147_100000733263 [0,3,0,0,0,0|1,0,0]=4 31457 B13R1.718 CCC(=O)CCOc1ccccc1 1458a_100000182761_100000210202 [0,3,0,0,0,0|0,0,1]=4 31458 B13R1.718 CCC(=O)CCOc1ccccc1 1458a_100000210414_100000184471 [0,3,0,0,0,0|0,0,1]=4 31459 B13R1.718 CCC(=O)COCc1ccccc1 1458a_100000230186_100000210202 [0,3,0,0,0,0|0,0,1]=4 31460 B13R1.718 CCC(=O)COCc1ccccc1 34a_100000725409_100015291786 [0,3,0,0,0,0|0,0,1]=4 31461 B13R1.718 CCC(=O)COCc1ccccc1 7a_100000210790_100000747405 [0,3,0,0,0,0|0,0,1]=4 31462 B13R1.718 CNC(=O)CCOc1ccccc1 11a_106832991635_100000182761 [0,3,0,0,0,0|0,0,1]=4 31463 B13R1.718 CNC(=O)CCOc1ccccc1 1626a_100102657272_100000182761 [0,3,0,0,0,0|0,0,1]=4 31464 B13R1.718 CNC(=O)CCOc1ccccc1 240690a_100102657272_100000182761 [0,3,0,0,0,0|0,0,1]=4 31465 B13R1.718 CNC(=O)CCOc1ccccc1 34a_100000210340_100012179268 [0,3,0,0,0,0|0,0,1]=4 31466 B13R1.718 CNC(=O)CCOc1ccccc1 7a_100000210340_100000737683 [0,3,0,0,0,0|0,0,1]=4 31467 B13R1.718 CNC(=O)COCc1ccccc1 11a_106832991635_100000230186 [0,3,0,0,0,0|0,0,1]=4 31468 B13R1.718 CNC(=O)COCc1ccccc1 1626a_100102657272_100000230186 [0,3,0,0,0,0|0,0,1]=4 31469 B13R1.718 CNC(=O)COCc1ccccc1 240690a_100102657272_100000230186 [0,3,0,0,0,0|0,0,1]=4 31470 B13R1.718 CNC(=O)COCc1ccccc1 34a_100000210790_100000183359 [0,3,0,0,0,0|0,0,1]=4 31471 B13R1.718 CNC(=O)COCc1ccccc1 34a_100000750040_100015291786 [0,3,0,0,0,0|0,0,1]=4 31472 B13R1.718 CNC(=O)COCc1ccccc1 527a_100102657272_100000230186 [0,3,0,0,0,0|0,0,1]=4 31473 B13R1.718 CNC(=O)COCc1ccccc1 7a_100000210790_100000183359 [0,3,0,0,0,0|0,0,1]=4 31474 B13R1.718 COC(=O)CCOc1ccccc1 34a_100000210340_100000742370 [0,3,0,0,0,0|0,0,1]=4 31475 B13R1.718 COC(=O)CCOc1ccccc1 7a_100000210340_100000204255 [0,3,0,0,0,0|0,0,1]=4 31476 B13R1.718 COC(=O)COCc1ccccc1 34a_100000210790_100000747449 [0,3,0,0,0,0|0,0,1]=4 31477 B13R1.718 COC(=O)COCc1ccccc1 7a_100000210790_100000747449 [0,3,0,0,0,0|0,0,1]=4 31478 B13R1.718 O=C(CF)CCOc1ccccc1 1458a_100000182761_100015361967 [0,3,0,0,0,0|0,0,1]=4 31479 B13R1.718 O=C(CF)COCc1ccccc1 1458a_100000230186_100015361967 [0,3,0,0,0,0|0,0,1]=4 31480 B13R1.718 O=C(CO)CCOc1ccccc1 1458a_100000210174_100000184471 [0,3,0,0,0,0|0,0,1]=4 31481 B13R1.135 C=CC(=O)C(C)Cc1ccccc1 1458a_100000185746_200011218536 [0,3,0,0,0,0|1,0,0]=4 31482 B13R1.135 C=CC(C)C(=O)Cc1ccccc1 1458a_100011216780_100015291786 [0,3,0,0,0,0|1,0,0]=4 31483 B13R1.135 C=CC(C)C(=O)Nc1ccccc1 11a_100000106764_100011216780 [0,3,0,0,0,0|1,0,0]=4 31484 B13R1.135 C=CC(C)C(=O)Nc1ccccc1 1626a_100000106764_100011216780 [0,3,0,0,0,0|1,0,0]=4 31485 B13R1.135 C=CC(C)C(=O)Nc1ccccc1 22a_100000106764_100011216780 [0,3,0,0,0,0|1,0,0]=4 31486 B13R1.135 C=CC(C)C(=O)Nc1ccccc1 527a_100000106764_100011216780 [0,3,0,0,0,0|1,0,0]=4 31487 B13R1.135 C=CC(C)N(C)Cc1ccccc1 269982a_100000186898_100011215867 [0,3,0,0,0,0|1,0,0]=4 31488 B13R1.135 CC(Oc1ccccc1)C(=O)CF 1458a_100000188414_100015361967 [0,3,0,0,0,0|0,0,1]=4 31489 B13R1.135 CCC(=O)C(C)Oc1ccccc1 1458a_100000188414_100000210202 [0,3,0,0,0,0|0,0,1]=4 31490 B13R1.135 CCC(=O)C(C)Oc1ccccc1 7a_100000210340_100000742827 [0,3,0,0,0,0|0,0,1]=4 31491 B13R1.135 CNC(=O)C(C)Oc1ccccc1 11a_106832991635_100000188414 [0,3,0,0,0,0|0,0,1]=4 31492 B13R1.135 CNC(=O)C(C)Oc1ccccc1 1626a_100102657272_100000188414 [0,3,0,0,0,0|0,0,1]=4 31493 B13R1.135 CNC(=O)C(C)Oc1ccccc1 240690a_100102657272_100000188414 [0,3,0,0,0,0|0,0,1]=4 31494 B13R1.135 CNC(=O)C(C)Oc1ccccc1 34a_100000210340_100000731044 [0,3,0,0,0,0|0,0,1]=4 31495 B13R1.135 CNC(=O)C(C)Oc1ccccc1 527a_100102657272_100000188414 [0,3,0,0,0,0|0,0,1]=4 31496 B13R1.135 CNC(=O)C(C)Oc1ccccc1 7a_100000210340_100000209862 [0,3,0,0,0,0|0,0,1]=4 31497 B13R1.135 CNC(=O)C(F)Oc1ccccc1 34a_100000210340_100009813575 [0,3,0,0,0,0|0,0,1]=4 31498 B13R1.135 CNC(=O)C(F)Oc1ccccc1 7a_100000210340_100009813575 [0,3,0,0,0,0|0,0,1]=4 31499 B13R1.135 COC(=O)C(C)Oc1ccccc1 34a_100000210340_100000211248 [0,3,0,0,0,0|0,0,1]=4 31500 B13R1.135 COC(=O)C(C)Oc1ccccc1 7a_100000210340_100000211248 [0,3,0,0,0,0|0,0,1]=4 31501 B13R1.254 C=CC(C)(C)OCc1ccccc1 34a_100011215311_100015291786 [0,3,0,0,0,0|0,0,0]=3 31502 B13R1.254 C=CC(C)(C)OCc1ccccc1 7a_100011215311_100000211182 [0,3,0,0,0,0|0,0,0]=3 31503 B13R1.254 C=CC(C)(C)OCc1ccccn1 34a_100011215311_100000721315 [0,3,0,0,0,0|1,0,0]=4 31504 B13R1.254 C=CC(C)(C)OCc1ccccn1 7a_100011215311_100000721315 [0,3,0,0,0,0|1,0,0]=4 31505 B13R1.254 C=CC(C)(C)OCc1cccnc1 34a_100011215311_100000733263 [0,3,0,0,0,0|1,0,0]=4 31506 B13R1.254 C=CC(C)(C)OCc1cccnc1 7a_100011215311_100000741622 [0,3,0,0,0,0|1,0,0]=4 31507 B13R1.254 C=CC(C)(C)OCc1ccncc1 7a_100011215311_100015193705 [0,3,0,0,0,0|1,0,0]=4 31508 B13R1.254 C=CC(F)(F)SCc1ccccc1 62a_100000211182_100009814244 [0,3,0,0,0,0|0,1,0]=4 31509 B13R1.254 C=CC(F)(F)SCc1ccccc1 62a_100009814244_100015291786 [0,3,0,0,0,0|0,1,0]=4 31510 B13R1.254 C=C[Si](C)(C)CSc1ccccc1 62a_100000038793_100000041952 [0,3,0,0,0,0|0,1,0]=4 31511 B13R1.254 C=C[Si](C)(C)CSc1ccccc1 62a_100000719477_100000038793 [0,3,0,0,0,0|0,1,0]=4 31512 B13R1.351 C=C(C)C(=O)CCc1ccccc1 1458a_100000185857_100000765856 [0,3,0,0,0,0|1,0,0]=4 31513 B13R1.351 C=C(C)C(C)NCc1ccccc1 269862a_100015324214_100011216138 [0,3,0,0,0,0|1,0,0]=4 31514 B13R1.351 CC(=O)C(=O)CNc1ccccc1 34a_100000106764_100011261029 [0,3,0,0,0,0|1,0,0]=4 31515 B13R1.351 CC(=O)C(=O)COc1ccccc1 34a_100000210340_100011261029 [0,3,0,0,0,0|0,0,0]=3 31516 B13R1.351 CC(=O)C(=O)COc1cccnc1 34a_100000210849_100011261029 [0,3,0,0,0,0|1,0,0]=4 31517 B13R1.351 CC(=O)C(=O)COc1ccncc1 34a_100000212176_100011261029 [0,3,0,0,0,0|1,0,0]=4 31518 B13R1.351 CC(=O)C(=O)CSc1ccccc1 62a_100000719477_100011261029 [0,3,0,0,0,0|0,1,0]=4 31519 B13R1.351 CC(=O)C(=O)CSc1ccccc1 62a_100011261029_100000041952 [0,3,0,0,0,0|0,1,0]=4 31520 B13R1.351 CC(=O)C(C)OCc1ccccc1 34a_100000212229_100015291786 [0,3,0,0,0,0|0,0,1]=4 31521 B13R1.351 CC(=O)C(C)OCc1ccccc1 7a_100000210790_100000179758 [0,3,0,0,0,0|0,0,1]=4 31522 B13R1.351 CC(=O)[C@H](C)OCc1ccccc1 1458a_100000703211_200000210301 [0,3,0,0,0,0|0,0,1]=4 31523 B13R1.351 CC(C)C(=O)COc1ccccc1 1458a_100000186222_100000210206 [0,3,0,0,0,0|0,0,1]=4 31524 B13R1.351 CC(C)C(=O)COc1ccccc1 34a_100000210340_100000753385 [0,3,0,0,0,0|0,0,1]=4 31525 B13R1.351 CC(C)C(=O)COc1ccccc1 7a_100000210340_100000753385 [0,3,0,0,0,0|0,0,1]=4 31526 B13R1.351 CC(OCc1ccccc1)C(=O)N 34a_100000210790_100000702099 [0,3,0,0,0,0|1,0,0]=4 31527 B13R1.351 CC(OCc1ccccc1)C(=O)N 7a_100000210790_100000702099 [0,3,0,0,0,0|1,0,0]=4 31528 B13R1.351 CN(C)C(=O)COc1ccccc1 11a_100102631434_100000186222 [0,3,0,0,0,0|0,0,1]=4 31529 B13R1.351 CN(C)C(=O)COc1ccccc1 1626a_100102631434_100000186222 [0,3,0,0,0,0|0,0,1]=4 31530 B13R1.351 CN(C)C(=O)COc1ccccc1 240690a_100102631434_100000186222 [0,3,0,0,0,0|0,0,1]=4 31531 B13R1.351 CN(C)C(=O)COc1ccccc1 34a_100000210340_100000692301 [0,3,0,0,0,0|0,0,1]=4 31532 B13R1.351 CN(C)C(=O)COc1ccccc1 527a_100102631434_100000186222 [0,3,0,0,0,0|0,0,1]=4 31533 B13R1.351 CN(C)C(=O)COc1ccccc1 7a_100000210340_100000692301 [0,3,0,0,0,0|0,0,1]=4 31534 B13R1.351 C[C@@H](OCc1ccccc1)C(=O)N 34a_100000731257_100015291786 [0,3,0,0,0,0|1,0,0]=4 31535 B13R1.351 C[C@@H](OCc1ccccc1)C(=O)N 7a_100000731257_100000211182 [0,3,0,0,0,0|1,0,0]=4 31536 B13R1.351 C[C@H](OCc1ccccc1)C(=O)[13CH3] 1458a_100000703211_200025704644 [0,3,0,0,0,0|0,0,1]=4 31537 B13R1.351 C[C@H](OCc1ccccc1)C(=O)[O-] 7a_217856618621_100000211182 [0,3,0,0,0,0|1,0,0]=4 31538 B13R1.351 NC(=O)C(F)OCc1ccccc1 34a_100000210790_100009813875 [0,3,0,0,0,0|1,0,0]=4 31539 B13R1.351 NC(=O)C(F)OCc1ccccc1 7a_100000210790_100009813875 [0,3,0,0,0,0|1,0,0]=4 31540 B13R1.351 O=C([O-])C(F)OCc1ccccc1 34a_100000210790_100020610796 [0,3,0,0,0,0|1,0,0]=4 31541 B13R1.417 C=CC(C=C)OCc1ccccc1 34a_100000033096_100015291786 [0,3,0,0,0,0|0,0,0]=3 31542 B13R1.417 C=CC(C=C)OCc1ccccn1 34a_100000033096_100000721315 [0,3,0,0,0,0|1,0,0]=4 31543 B13R1.417 C=CC(C=C)OCc1cccnc1 34a_100000033096_100000733263 [0,3,0,0,0,0|1,0,0]=4 31544 B13R1.417 C=CC(CC)OCc1ccccc1 34a_100000766422_100015291786 [0,3,0,0,0,0|0,0,0]=3 31545 B13R1.417 C=CC(CC)OCc1ccccc1 7a_100000766422_100000211182 [0,3,0,0,0,0|0,0,0]=3 31546 B13R1.417 C=CC(CC)OCc1ccccn1 34a_100000766422_100000721315 [0,3,0,0,0,0|1,0,0]=4 31547 B13R1.417 C=CC(CC)OCc1ccccn1 7a_100000766422_100000721315 [0,3,0,0,0,0|1,0,0]=4 31548 B13R1.417 C=CC(CC)OCc1cccnc1 34a_100000766422_100000733263 [0,3,0,0,0,0|1,0,0]=4 31549 B13R1.417 C=CC(CC)OCc1cccnc1 7a_100000766422_100000741622 [0,3,0,0,0,0|1,0,0]=4 31550 B13R1.417 C=CC(CC)OCc1ccncc1 7a_100000766422_100015193705 [0,3,0,0,0,0|1,0,0]=4 31551 B13R1.417 C=C[C@@H](CO)NCc1ccccc1 2230a_100016989147_100015291786 [0,3,0,0,0,0|1,0,0]=4 31552 B13R1.417 C=C[C@@H](CO)NCc1ccccc1 270004a_100016989147_100015611070 [0,3,0,0,0,0|1,0,0]=4 31553 B13R1.417 C=C[C@@H](CO)NCc1ccccc1 34a_100016989147_100015291786 [0,3,0,0,0,0|1,0,0]=4 31554 B13R1.417 O=CC(C=O)OCc1ccccc1 34a_100000210790_100000736813 [0,3,0,0,0,0|1,0,0]=4 31555 B13R1.79 C=CCN(CC)Cc1ccccc1 2230a_100000186914_100000210623 [0,3,0,0,0,0|1,0,0]=4 31556 B13R1.79 C=CCN(CC)Cc1ccccc1 2230a_100000196212_100000210202 [0,3,0,0,0,0|1,0,0]=4 31557 B13R1.79 C=CCN(CC)Cc1ccccc1 269982a_100000186914_100000210623 [0,3,0,0,0,0|1,0,0]=4 31558 B13R1.79 C=CCN(CC)Cc1ccccc1 269982a_100000196212_100000204670 [0,3,0,0,0,0|1,0,0]=4 31559 B13R1.79 C=CCN(CF)Cc1ccccc1 269982a_100000196212_100015361967 [0,3,0,0,0,0|1,0,0]=4 31560 B13R1.348 C=C(C)CN(C)Cc1ccccc1 2230a_100000186898_100000748629 [0,3,0,0,0,0|1,0,0]=4 31561 B13R1.348 C=C(C)CN(C)Cc1ccccc1 2230a_100000225649_100015291786 [0,3,0,0,0,0|1,0,0]=4 31562 B13R1.348 C=C(C)CN(C)Cc1ccccc1 2230a_100015184565_200000210301 [0,3,0,0,0,0|1,0,0]=4 31563 B13R1.348 C=C(C)CN(C)Cc1ccccc1 269982a_100000186898_100000748629 [0,3,0,0,0,0|1,0,0]=4 31564 B13R1.348 C=C(C)CN(C)Cc1ccccc1 269982a_100000225649_100000211182 [0,3,0,0,0,0|1,0,0]=4 31565 B13R1.348 C=C(C)CN(C)Cc1ccccc1 269982a_100015184565_200000210301 [0,3,0,0,0,0|1,0,0]=4 31566 B13R1.348 C=C(C)CN(C)Cc1ccccc1 270004a_100000225649_100015611070 [0,3,0,0,0,0|1,0,0]=4 31567 B13R1.348 C=C(C)CN([13CH3])Cc1ccccc1 2230a_100015184565_200025704644 [0,3,0,0,0,0|1,0,0]=4 31568 B13R1.348 C=C(C)CN([13CH3])Cc1ccccc1 269982a_100015184565_200025704644 [0,3,0,0,0,0|1,0,0]=4 31569 B13R1.348 C=C(F)CN(C)Cc1ccccc1 2230a_100000186898_100009893438 [0,3,0,0,0,0|1,0,0]=4 31570 B13R1.348 C=C(F)CN(C)Cc1ccccc1 269982a_100000186898_100009893438 [0,3,0,0,0,0|1,0,0]=4 31571 B13R1.348 CC(=O)CC(=O)Oc1ccccc1 1458a_100000070787_100009813826 [0,3,0,0,0,0|0,0,1]=4 31572 B13R1.418 CCC(Oc1ccccc1)C(=O)C 1458a_100000211556_200000210301 [0,3,0,0,0,0|0,0,1]=4 31573 B13R1.418 CCC(Oc1ccccc1)C(=O)N 34a_100000210340_100000750255 [0,3,0,0,0,0|1,0,0]=4 31574 B13R1.418 CCC(Oc1ccccc1)C(=O)N 7a_100000210340_100000750255 [0,3,0,0,0,0|1,0,0]=4 31575 B13R1.418 CCC(Oc1ccccc1)C(=O)[13CH3] 1458a_100000211556_200025704644 [0,3,0,0,0,0|0,0,1]=4 31576 B13R1.1073 CC(=O)C(C)(C)Oc1ccccc1 1458a_100000743201_200000210301 [0,3,0,0,0,0|0,0,1]=4 31577 B13R1.1073 CC(=O)C(C)(C)Oc1ccccc1 7a_100000210340_100000075568 [0,3,0,0,0,0|0,0,1]=4 31578 B13R1.1073 CC(=O)C(F)(F)Oc1ccccc1 1458a_100000070787_200000057402 [0,3,0,0,0,0|0,0,1]=4 31579 B13R1.1073 CC(C)(Oc1ccccc1)C(=O)N 34a_100000210340_100000702505 [0,3,0,0,0,0|1,0,0]=4 31580 B13R1.1073 CC(C)(Oc1ccccc1)C(=O)N 7a_100000210340_100000702505 [0,3,0,0,0,0|1,0,0]=4 31581 B13R1.1073 CC(C)(Oc1ccccc1)C(=O)[13CH3] 1458a_100000743201_200025704644 [0,3,0,0,0,0|0,0,1]=4 31582 B13R1.1073 NC(=O)C(F)(F)Oc1ccccc1 7a_100000210340_100009811971 [0,3,0,0,0,0|1,0,0]=4 31583 B13R1.1073 O=C([O-])C(F)(F)Oc1ccccc1 34a_100000210340_100020612412 [0,3,0,0,0,0|1,0,0]=4 31584 B13R2.164 C=CCSc1cc2sccc2s1 62a_100000210623_200010191111 [0,0,0,1,0,2|0,1,0]=4 31585 B13R2.467 C=CCSc1ccc2c(c1)CC2 62a_100000210623_100009818592 [0,0,0,1,0,2|0,1,0]=4 31586 B13R2.467 C=CCSc1ccc2c(c1)CC2 62a_100009818592_100000210623 [0,0,0,1,0,2|0,1,0]=4 31587 B13R2.468 C=CCSc1csc2c1scc2 62a_100000210623_100009817191 [0,0,0,1,0,2|0,1,0]=4 31588 B13R2.12 Brc1ccc(cc1)c2ccco2 271570a_100000750936_100000752885 [0,2,0,1,0,0|0,0,1]=4 31589 B13R2.12 Brc1ccc(cc1)c2ccco2 271570a_100010235827_100009814098 [0,2,0,1,0,0|0,0,1]=4 31590 B13R2.12 Cc1ccc(cc1)c2ccco2 271570a_100000708704_100009814098 [0,2,0,1,0,0|0,0,1]=4 31591 B13R2.12 Cc1ccc(cc1)c2ccco2 271570a_100000750936_100000186775 [0,2,0,1,0,0|0,0,1]=4 31592 B13R2.12 Clc1ccc(cc1)c2ccco2 271570a_100000750936_100000755918 [0,2,0,1,0,0|0,0,1]=4 31593 B13R2.12 Clc1ccc(cc1)c2ccco2 271570a_100011213355_100009814098 [0,2,0,1,0,0|0,0,1]=4 31594 B13R2.12 Fc1ccc(cc1)c2ccco2 271570a_100000750936_100000211213 [0,2,0,1,0,0|0,0,1]=4 31595 B13R2.12 Fc1ccc(cc1)c2ccco2 271570a_100011934326_100009814098 [0,2,0,1,0,0|0,0,1]=4 31596 B13R2.12 Ic1ccc(cc1)c2ccco2 271570a_100000033156_100009814098 [0,2,0,1,0,0|0,0,1]=4 31597 B13R2.12 Nc1ccc(cc1)c2ccco2 271570a_100000750936_100000185761 [0,2,0,1,0,0|0,0,1]=4 31598 B13R2.12 Nc1ccc(cc1)c2ccco2 271570a_100015188457_100009814098 [0,2,0,1,0,0|0,0,1]=4 31599 B13R2.12 Oc1ccc(cc1)c2ccco2 271570a_100000750936_100000185759 [0,2,0,1,0,0|0,0,1]=4 31600 B13R2.12 Oc1ccc(cc1)c2ccco2 271570a_100015205159_100009814098 [0,2,0,1,0,0|0,0,1]=4 31601 B13R2.12 Oc1ccc(cc1)c2ccno2 271570a_203496583355_100011216027 [0,2,0,1,0,0|1,0,0]=4 31602 B13R2.162 O=C1CCOc2c1cc(cc2)O 271570a_203496583355_100000243215 [0,2,0,1,0,0|0,0,1]=4 31603 B13R2.162 O=C1COCc2c1cc(cc2)O 271570a_203496583355_100010205901 [0,2,0,1,0,0|1,0,0]=4 31604 B13R2.162 O=c1ccoc2c1cc(cc2)O 271570a_203496583355_100009813387 [0,2,0,1,0,0|0,0,1]=4 31605 B13R2.5179 O=C1CCOc2c1ccc(c2)O 271570a_203496583355_100000696939 [0,2,0,1,0,0|0,0,1]=4 31606 B13R2.5179 O=C1COc2c(cccc2N1)O 271570a_203496583355_100012355675 [0,2,0,1,0,0|1,0,0]=4 31607 B13R2.5179 O=c1ccoc2c1ccc(c2)O 271570a_203496583355_100010062221 [0,2,0,1,0,0|0,0,1]=4 31608 B13R2.155 O=C1COc2ccc(cc2N1)O 271570a_203496583355_100000244627 [0,2,0,1,0,0|1,0,0]=4 31609 B13R2.155 O=c1ccc2ccc(cc2o1)O 271570a_203496583355_100009993525 [0,2,0,1,0,0|0,0,1]=4 31610 B13R2.3683 O=C1COc2cc(ccc2N1)O 271570a_203496583355_100000745508 [0,2,0,1,0,0|1,0,0]=4 31611 B13R2.3683 O=c1ccc2cc(ccc2o1)O 271570a_203496583355_100009999946 [0,2,0,1,0,0|0,0,1]=4 31612 B13R2.669 C=Cc1ccc2c(c1)C(=O)CO2 271570a_100011290941_100000752586 [0,2,0,1,0,0|1,0,0]=4 31613 B13R2.669 CSc1ccc2c(c1)C(=O)CO2 62a_200000210301_100000752586 [0,2,0,1,0,0|1,0,0]=4 31614 B13R2.669 [13CH3]Sc1ccc2c(c1)C(=O)CO2 62a_200025704644_100000752586 [0,2,0,1,0,0|1,0,0]=4 31615 B13R2.32 O=c1c(coc2c1cccc2)O 271570a_203496583355_100009813851 [0,2,0,1,0,0|0,0,1]=4 31616 B13R2.369 O=c1oc2ccccc2cc1O 271570a_203496583355_200000187772 [0,2,0,1,0,0|0,0,1]=4 31617 B13R2.1 C=C=Cc1coc2c1cccc2 271570a_100015277604_100009812202 [0,2,0,1,0,0|0,0,1]=4 31618 B13R2.1 CC=Cc1coc2c1cccc2 271570a_100016259895_100009812202 [0,2,0,1,0,0|0,0,1]=4 31619 B13R2.3 C1=C(OCCC1)c2ccccc2 271570a_100010177797_100000210277 [0,2,0,1,0,0|0,0,1]=4 31620 B13R2.10 Cc1ccc(o1)c2ccccc2 271570a_100000061910_100000210277 [0,2,0,1,0,0|0,0,1]=4 31621 B13R2.10 O=C1C=C(CC1)c2ccccc2 271570a_100010737933_100000210277 [0,2,0,1,0,0|1,0,0]=4 31622 B13R2.13 Brc1cccc(c1)c2ccco2 271570a_100000750936_100000691529 [0,2,0,1,0,0|0,0,1]=4 31623 B13R2.13 Cc1cccc(c1)c2ccco2 271570a_100000749446_100009814098 [0,2,0,1,0,0|0,0,1]=4 31624 B13R2.13 Cc1cccc(c1)c2ccco2 271570a_100000750936_100011215228 [0,2,0,1,0,0|0,0,1]=4 31625 B13R2.13 Clc1cccc(c1)c2ccco2 271570a_100000750936_100000699651 [0,2,0,1,0,0|0,0,1]=4 31626 B13R2.13 Clc1cccc(c1)c2ccco2 271570a_100011214927_100009814098 [0,2,0,1,0,0|0,0,1]=4 31627 B13R2.13 Fc1cccc(c1)c2ccco2 271570a_100000750936_100000685547 [0,2,0,1,0,0|0,0,1]=4 31628 B13R2.13 Fc1cccc(c1)c2ccco2 271570a_100012349223_100009814098 [0,2,0,1,0,0|0,0,1]=4 31629 B13R2.13 Ic1cccc(c1)c2ccco2 271570a_100000043368_100009814098 [0,2,0,1,0,0|0,0,1]=4 31630 B13R2.13 Nc1cccc(c1)c2ccco2 271570a_100000699968_100009814098 [0,2,0,1,0,0|0,0,1]=4 31631 B13R2.13 Nc1cccc(c1)c2ccco2 271570a_100000750936_100000210019 [0,2,0,1,0,0|0,0,1]=4 31632 B13R2.13 Oc1cccc(c1)c2ccco2 271570a_100000693801_100009814098 [0,2,0,1,0,0|0,0,1]=4 31633 B13R2.13 Oc1cccc(c1)c2ccco2 271570a_100000750936_100000211634 [0,2,0,1,0,0|0,0,1]=4 31634 B13R2.13 Oc1cccc(c1)c2ccno2 271570a_203496583355_200011216531 [0,2,0,1,0,0|1,0,0]=4 31635 B13R2.13 [S]c1cccc(c1)c2ccco2 271570a_100000750936_114929384022 [0,2,0,1,0,0|0,0,1]=4 31636 B13R2.342 O=C1CCOc2c1cccc2O 271570a_203496583355_100000744318 [0,2,0,1,0,0|0,0,1]=4 31637 B13R2.18 Brc1ccccc1c2ccco2 271570a_100000750936_100000695589 [0,2,0,1,0,0|0,0,1]=4 31638 B13R2.18 Cc1ccccc1c2ccco2 271570a_100000747142_100009814098 [0,2,0,1,0,0|0,0,1]=4 31639 B13R2.18 Cc1ccccc1c2ccco2 271570a_100000750936_100000210755 [0,2,0,1,0,0|0,0,1]=4 31640 B13R2.18 Clc1ccccc1c2ccco2 271570a_100000750936_100000764095 [0,2,0,1,0,0|0,0,1]=4 31641 B13R2.18 Clc1ccccc1c2ccco2 271570a_100011934419_100009814098 [0,2,0,1,0,0|0,0,1]=4 31642 B13R2.18 Fc1ccccc1c2ccco2 271570a_100000750936_100011215700 [0,2,0,1,0,0|0,0,1]=4 31643 B13R2.18 Fc1ccccc1c2ccco2 271570a_100000761933_100009814098 [0,2,0,1,0,0|0,0,1]=4 31644 B13R2.18 Ic1ccccc1c2ccco2 271570a_100000069755_100009814098 [0,2,0,1,0,0|0,0,1]=4 31645 B13R2.18 Nc1ccccc1c2ccco2 271570a_100000034411_100009814098 [0,2,0,1,0,0|0,0,1]=4 31646 B13R2.18 Nc1ccccc1c2ccco2 271570a_100000750936_100000210017 [0,2,0,1,0,0|0,0,1]=4 31647 B13R2.18 Oc1ccccc1c2ccco2 271570a_100000035170_100009814098 [0,2,0,1,0,0|0,0,1]=4 31648 B13R2.18 Oc1ccccc1c2ccco2 271570a_100000750936_100000739446 [0,2,0,1,0,0|0,0,1]=4 31649 B13R2.18 Oc1ccccc1c2ccno2 271570a_203496583355_100011218344 [0,2,0,1,0,0|1,0,0]=4 31650 B13R2.4818 O=C1CCOc2c1c(ccc2)O 271570a_203496583355_100010205896 [0,2,0,1,0,0|0,0,1]=4 31651 B13R2.573 C=Cc1cccc2c1OCC2=O 271570a_100011290941_100011230590 [0,2,0,1,0,0|1,0,0]=4 31652 B13R2.573 CSc1cccc2c1OCC2=O 62a_200000210301_100011230590 [0,2,0,1,0,0|1,0,0]=4 31653 B13R2.573 [13CH3]Sc1cccc2c1OCC2=O 62a_200025704644_100011230590 [0,2,0,1,0,0|1,0,0]=4 31654 B13R2.435 C=C(C)c1cc2ccccc2o1 271570a_100000694244_100010159458 [0,2,0,1,0,0|0,0,1]=4 31655 B13R2.435 CC(=O)C1Cc2ccccc2O1 1458a_100000209886_200000210301 [0,2,0,1,0,0|0,0,1]=4 31656 B13R2.435 [13CH3]C(=O)C1Cc2ccccc2O1 1458a_100000209886_200025704644 [0,2,0,1,0,0|0,0,1]=4 31657 B13R2.26 C=C=Cc1cc2ccccc2o1 271570a_100015277604_100010159458 [0,2,0,1,0,0|0,0,1]=4 31658 B13R2.26 C=CCN1Cc2ccccc2C1 2230a_100000752595_100000210623 [0,2,0,1,0,0|1,0,0]=4 31659 B13R2.26 C=CCN1Cc2ccccc2C1 269982a_100000752595_100000210623 [0,2,0,1,0,0|1,0,0]=4 31660 B13R2.26 C=CCN1Cc2ccccc2C1 34a_100000752595_100015514636 [0,2,0,1,0,0|1,0,0]=4 31661 B13R2.26 CC=Cc1cc2ccccc2o1 271570a_100016259895_100010159458 [0,2,0,1,0,0|0,0,1]=4 31662 B13R2.582 C=Cc1cccc2c1C(=O)CO2 271570a_100011290941_100010205902 [0,2,0,1,0,0|1,0,0]=4 31663 B13R2.582 COc1cccc2c1C(=O)CO2 34a_200009856558_200000210301 [0,2,0,1,0,0|1,0,0]=4 31664 B13R2.582 CSc1cccc2c1C(=O)CO2 62a_200000210301_100010205902 [0,2,0,1,0,0|1,0,0]=4 31665 B13R2.582 [13CH3]Oc1cccc2c1C(=O)CO2 34a_200009856558_200025704644 [0,2,0,1,0,0|1,0,0]=4 31666 B13R2.582 [13CH3]Sc1cccc2c1C(=O)CO2 62a_200025704644_100010205902 [0,2,0,1,0,0|1,0,0]=4 31667 B13R2.2130 C=Cc1ccc2c(c1)OCC2=O 271570a_100011290941_100000686717 [0,2,0,1,0,0|1,0,0]=4 31668 B13R2.2130 CSc1ccc2c(c1)OCC2=O 62a_200000210301_100000686717 [0,2,0,1,0,0|1,0,0]=4 31669 B13R2.2130 [13CH3]Sc1ccc2c(c1)OCC2=O 62a_200025704644_100000686717 [0,2,0,1,0,0|1,0,0]=4 31670 B13R2.27 O=C1CCC1Oc2ccccc2 34a_100000210340_100009892977 [0,2,0,1,0,0|0,0,1]=4 31671 B13R2.27 O=C1CCC1Oc2ccccc2 7a_100000210340_100009892977 [0,2,0,1,0,0|0,0,1]=4 31672 B13R2.64 C1=CCN(C1)Cc2ccccc2 269982a_100015195280_100000211182 [0,2,0,1,0,0|1,0,0]=4 31673 B13R2.64 c1ccc(cc1)Sc2ccco2 62a_100000719477_100009814098 [0,2,0,1,0,0|0,0,1]=4 31674 B13R2.64 c1ccc(cc1)Sc2ccco2 62a_100009814098_100000041952 [0,2,0,1,0,0|0,0,1]=4 31675 B13R2.135 C=Cc1c(oc2c1cccc2)C 271570a_100011290941_200010236113 [0,2,0,1,0,0|0,0,1]=4 31676 B13R2.72 C=C(C)c1coc2c1cccc2 271570a_100000694244_100009812202 [0,2,0,1,0,0|0,0,1]=4 31677 B7R1.1 C=Cc1ccco1 271570a_100011290941_100009814098 [2,0,0,0,1,0|1,0,0]=4 31678 B7R1.1 C=Cc1cccs1 271570a_100011290941_100011215356 [2,0,0,0,1,0|1,0,0]=4 31679 B7R1.1 C=Cc1ccoc1 271570a_100011290941_100011215275 [2,0,0,0,1,0|1,0,0]=4 31680 B7R1.1 C=Cc1ccsc1 271570a_100011290941_100000738268 [2,0,0,0,1,0|1,0,0]=4 31681 B7R1.1 COc1ccsc1 34a_100000106738_200000210301 [2,0,0,0,1,0|1,0,0]=4 31682 B7R1.1 COc1ccsc1 7a_100000106738_200000210301 [2,0,0,0,1,0|1,0,0]=4 31683 B7R1.1 [13CH3]Oc1ccsc1 34a_100000106738_200025704644 [2,0,0,0,1,0|1,0,0]=4 31684 B7R1.1 [13CH3]Oc1ccsc1 7a_100000106738_200025704644 [2,0,0,0,1,0|1,0,0]=4